NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5491 | 1hko | 5745 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 30.225 2.964 -29.002 2 HA ALA 1 HA ALA 1 31.547 2.595 -31.214 3 1HB ALA 1 1HB ALA 1 33.175 2.204 -29.720 4 2HB ALA 1 3HB ALA 1 32.549 0.561 -29.442 5 3HB ALA 1 2HB ALA 1 31.942 1.921 -28.467 6 H GLU 2 H GLU 2 29.953 -0.187 -29.501 7 HA GLU 2 HA GLU 2 29.186 -1.311 -31.956 8 1HB GLU 2 1HB GLU 2 31.709 -1.870 -31.786 9 2HB GLU 2 2HB GLU 2 31.278 -2.941 -30.468 10 1HG GLU 2 1HG GLU 2 29.568 -4.021 -32.070 11 2HG GLU 2 2HG GLU 2 30.316 -3.096 -33.357 12 H GLU 3 H GLU 3 27.208 -1.030 -30.633 13 HA GLU 3 HA GLU 3 26.385 -3.397 -29.524 14 1HB GLU 3 1HB GLU 3 28.033 -2.290 -27.688 15 2HB GLU 3 2HB GLU 3 26.561 -1.446 -27.248 16 1HG GLU 3 1HG GLU 3 25.911 -4.233 -27.683 17 2HG GLU 3 2HG GLU 3 27.307 -4.155 -26.627 18 H SER 4 H SER 4 24.152 -3.097 -28.372 19 HA SER 4 HA SER 4 22.900 -0.618 -28.549 20 1HB SER 4 1HB SER 4 21.486 -0.859 -30.476 21 2HB SER 4 2HB SER 4 23.124 -1.156 -31.021 22 HG SER 4 HG SER 4 22.339 -2.990 -31.794 23 H SER 5 H SER 5 20.598 -0.778 -27.860 24 HA SER 5 HA SER 5 19.340 -3.199 -27.473 25 1HB SER 5 1HB SER 5 19.651 -3.719 -25.173 26 2HB SER 5 2HB SER 5 21.266 -3.436 -25.788 27 HG SER 5 HG SER 5 21.467 -1.946 -24.276 28 H LYS 6 H LYS 6 17.178 -2.843 -26.731 29 HA LYS 6 HA LYS 6 16.412 -0.569 -25.289 30 1HB LYS 6 1HB LYS 6 15.366 0.793 -26.966 31 2HB LYS 6 2HB LYS 6 17.057 0.597 -27.382 32 1HG LYS 6 1HG LYS 6 16.355 -1.342 -28.910 33 2HG LYS 6 2HG LYS 6 14.690 -0.886 -28.609 34 1HD LYS 6 1HD LYS 6 15.212 1.439 -29.462 35 2HD LYS 6 2HD LYS 6 16.836 0.904 -29.842 36 1HE LYS 6 1HE LYS 6 15.363 -1.060 -31.094 37 2HE LYS 6 2HE LYS 6 14.263 0.297 -31.235 38 1HZ LYS 6 1HZ LYS 6 17.089 0.358 -32.041 39 2HZ LYS 6 2HZ LYS 6 15.830 0.165 -33.062 40 3HZ LYS 6 3HZ LYS 6 16.008 1.565 -32.243 41 H ALA 7 H ALA 7 13.824 -0.292 -25.679 42 HA ALA 7 HA ALA 7 11.827 -1.243 -25.570 43 1HB ALA 7 2HB ALA 7 11.308 -3.155 -26.939 44 2HB ALA 7 1HB ALA 7 13.016 -3.654 -26.991 45 3HB ALA 7 3HB ALA 7 12.496 -2.173 -27.829 46 H VAL 8 H VAL 8 11.802 -1.370 -23.304 47 HA VAL 8 HA VAL 8 13.161 -2.937 -21.639 48 HB VAL 8 HB VAL 8 11.754 -1.698 -20.436 49 1HG1 VAL 8 2HG1 VAL 8 10.002 -1.882 -22.849 50 2HG1 VAL 8 3HG1 VAL 8 9.245 -1.418 -21.307 51 3HG1 VAL 8 1HG1 VAL 8 10.591 -0.454 -21.963 52 1HG2 VAL 8 3HG2 VAL 8 10.016 -4.141 -20.897 53 2HG2 VAL 8 1HG2 VAL 8 11.167 -3.852 -19.570 54 3HG2 VAL 8 2HG2 VAL 8 9.669 -2.895 -19.674 55 H LYS 9 H LYS 9 10.066 -3.982 -23.241 56 HA LYS 9 HA LYS 9 9.429 -5.981 -23.961 57 1HB LYS 9 1HB LYS 9 12.227 -6.177 -24.123 58 2HB LYS 9 2HB LYS 9 11.719 -7.642 -23.307 59 1HG LYS 9 1HG LYS 9 10.386 -8.360 -25.114 60 2HG LYS 9 2HG LYS 9 10.165 -6.736 -25.736 61 1HD LYS 9 1HD LYS 9 12.706 -6.738 -26.243 62 2HD LYS 9 2HD LYS 9 12.673 -8.458 -25.910 63 1HE LYS 9 1HE LYS 9 10.742 -7.211 -27.904 64 2HE LYS 9 2HE LYS 9 12.362 -7.676 -28.385 65 1HZ LYS 9 3HZ LYS 9 11.887 -9.903 -27.613 66 2HZ LYS 9 1HZ LYS 9 10.377 -9.469 -27.168 67 3HZ LYS 9 2HZ LYS 9 10.802 -9.446 -28.744 68 H TYR 10 H TYR 10 11.588 -6.524 -21.082 69 HA TYR 10 HA TYR 10 9.211 -7.478 -19.660 70 1HB TYR 10 1HB TYR 10 11.513 -8.982 -18.839 71 2HB TYR 10 2HB TYR 10 10.153 -9.600 -19.756 72 HD1 TYR 10 HD1 TYR 10 13.518 -8.049 -20.078 73 HD2 TYR 10 HD2 TYR 10 10.380 -10.181 -22.055 74 HE1 TYR 10 HE1 TYR 10 15.043 -8.460 -22.069 75 HE2 TYR 10 HE2 TYR 10 11.916 -10.585 -24.041 76 HH TYR 10 HH TYR 10 13.826 -10.113 -24.960 77 H TYR 11 H TYR 11 8.995 -6.423 -17.753 78 HA TYR 11 HA TYR 11 11.466 -5.470 -16.476 79 1HB TYR 11 1HB TYR 11 9.045 -4.115 -17.522 80 2HB TYR 11 2HB TYR 11 9.215 -3.812 -15.805 81 HD1 TYR 11 HD1 TYR 11 12.374 -3.977 -15.946 82 HD2 TYR 11 HD2 TYR 11 9.409 -1.783 -18.113 83 HE1 TYR 11 HE1 TYR 11 14.075 -2.153 -16.442 84 HE2 TYR 11 HE2 TYR 11 11.119 0.034 -18.602 85 HH TYR 11 HH TYR 11 14.452 -0.258 -17.391 86 H THR 12 H THR 12 11.049 -4.902 -14.083 87 HA THR 12 HA THR 12 9.308 -6.999 -12.976 88 HB THR 12 HB THR 12 10.896 -7.001 -11.097 89 HG1 THR 12 HG1 THR 12 12.320 -4.958 -12.618 90 1HG2 THR 12 1HG2 THR 12 12.022 -7.084 -13.894 91 2HG2 THR 12 2HG2 THR 12 13.183 -7.003 -12.548 92 3HG2 THR 12 3HG2 THR 12 12.022 -8.349 -12.642 93 H LEU 13 H LEU 13 8.098 -6.550 -11.025 94 HA LEU 13 HA LEU 13 6.522 -4.344 -11.205 95 1HB LEU 13 1HB LEU 13 7.048 -6.452 -9.274 96 2HB LEU 13 2HB LEU 13 6.579 -4.958 -8.489 97 HG LEU 13 HG LEU 13 5.002 -6.408 -10.633 98 1HD1 LEU 13 3HD1 LEU 13 5.229 -7.078 -7.983 99 2HD1 LEU 13 1HD1 LEU 13 3.791 -6.029 -7.987 100 3HD1 LEU 13 2HD1 LEU 13 3.848 -7.466 -9.036 101 1HD2 LEU 13 3HD2 LEU 13 4.948 -3.738 -10.278 102 2HD2 LEU 13 1HD2 LEU 13 3.529 -4.701 -10.758 103 3HD2 LEU 13 2HD2 LEU 13 3.752 -4.232 -9.056 104 H GLU 14 H GLU 14 9.671 -4.708 -9.531 105 HA GLU 14 HA GLU 14 9.523 -2.270 -8.189 106 1HB GLU 14 1HB GLU 14 11.343 -4.442 -8.406 107 2HB GLU 14 2HB GLU 14 12.257 -3.022 -8.868 108 1HG GLU 14 1HG GLU 14 12.493 -3.169 -6.490 109 2HG GLU 14 2HG GLU 14 11.340 -1.876 -6.756 110 H GLU 15 H GLU 15 11.109 -3.245 -11.306 111 HA GLU 15 HA GLU 15 12.240 -0.864 -11.925 112 1HB GLU 15 1HB GLU 15 11.107 -3.123 -13.573 113 2HB GLU 15 2HB GLU 15 11.649 -1.676 -14.398 114 1HG GLU 15 1HG GLU 15 13.477 -2.878 -12.322 115 2HG GLU 15 2HG GLU 15 13.328 -3.708 -13.857 116 H ILE 16 H ILE 16 8.831 -1.924 -12.360 117 HA ILE 16 HA ILE 16 8.110 0.456 -13.769 118 HB ILE 16 HB ILE 16 6.284 -1.535 -12.434 119 1HG1 ILE 16 1HG1 ILE 16 6.809 -1.978 -15.276 120 2HG1 ILE 16 2HG1 ILE 16 8.245 -2.193 -14.297 121 1HG2 ILE 16 1HG2 ILE 16 5.973 0.449 -14.690 122 2HG2 ILE 16 2HG2 ILE 16 4.839 -0.896 -14.423 123 3HG2 ILE 16 3HG2 ILE 16 5.060 0.344 -13.166 124 1HD1 ILE 16 2HD1 ILE 16 6.163 -3.430 -12.818 125 2HD1 ILE 16 3HD1 ILE 16 5.904 -3.912 -14.512 126 3HD1 ILE 16 1HD1 ILE 16 7.466 -4.239 -13.721 127 H GLN 17 H GLN 17 8.218 -0.666 -10.394 128 HA GLN 17 HA GLN 17 6.531 1.301 -9.376 129 1HB GLN 17 1HB GLN 17 7.659 -0.921 -8.343 130 2HB GLN 17 2HB GLN 17 8.803 0.248 -7.713 131 1HG GLN 17 1HG GLN 17 6.063 1.217 -7.364 132 2HG GLN 17 2HG GLN 17 6.237 -0.380 -6.664 133 1HE2 GLN 17 1HE2 GLN 17 5.900 2.289 -5.453 134 2HE2 GLN 17 2HE2 GLN 17 7.203 2.499 -4.331 135 H LYS 18 H LYS 18 9.986 1.237 -10.245 136 HA LYS 18 HA LYS 18 10.667 3.604 -8.851 137 1HB LYS 18 1HB LYS 18 12.035 2.257 -11.199 138 2HB LYS 18 2HB LYS 18 12.737 3.485 -10.165 139 1HG LYS 18 1HG LYS 18 11.603 0.950 -8.943 140 2HG LYS 18 2HG LYS 18 13.202 0.934 -9.657 141 1HD LYS 18 1HD LYS 18 12.279 2.836 -7.451 142 2HD LYS 18 2HD LYS 18 13.276 1.417 -7.205 143 1HE LYS 18 1HE LYS 18 15.100 2.713 -7.581 144 2HE LYS 18 2HE LYS 18 14.601 2.843 -9.255 145 1HZ LYS 18 3HZ LYS 18 13.158 4.584 -7.534 146 2HZ LYS 18 1HZ LYS 18 14.763 4.882 -7.521 147 3HZ LYS 18 2HZ LYS 18 13.939 4.915 -8.930 148 H HIS 19 H HIS 19 9.212 2.850 -12.003 149 HA HIS 19 HA HIS 19 9.500 5.627 -12.802 150 1HB HIS 19 1HB HIS 19 8.875 3.055 -14.180 151 2HB HIS 19 2HB HIS 19 8.184 4.517 -14.855 152 HD1 HIS 19 HD1 HIS 19 9.616 5.540 -16.613 153 HD2 HIS 19 HD2 HIS 19 11.892 3.546 -13.707 154 HE1 HIS 19 HE1 HIS 19 12.054 5.762 -17.337 155 HE2 HIS 19 HE2 HIS 19 13.407 4.566 -15.484 156 H ASN 20 H ASN 20 8.091 6.739 -11.404 157 HA ASN 20 HA ASN 20 5.305 6.206 -11.991 158 1HB ASN 20 1HB ASN 20 5.381 5.182 -9.852 159 2HB ASN 20 2HB ASN 20 6.620 6.271 -9.261 160 1HD2 ASN 20 1HD2 ASN 20 3.427 6.668 -10.798 161 2HD2 ASN 20 2HD2 ASN 20 2.743 7.728 -9.611 162 H ASN 21 H ASN 21 7.592 8.220 -12.625 163 HA ASN 21 HA ASN 21 6.442 10.588 -11.404 164 1HB ASN 21 1HB ASN 21 9.121 9.838 -12.504 165 2HB ASN 21 2HB ASN 21 8.613 11.469 -12.889 166 1HD2 ASN 21 1HD2 ASN 21 9.145 9.158 -10.289 167 2HD2 ASN 21 2HD2 ASN 21 9.428 10.295 -9.013 168 H SER 22 H SER 22 6.040 12.497 -12.896 169 HA SER 22 HA SER 22 4.528 11.794 -15.063 170 1HB SER 22 1HB SER 22 5.519 14.257 -13.822 171 2HB SER 22 2HB SER 22 5.412 14.430 -15.563 172 HG SER 22 HG SER 22 3.408 14.998 -14.501 173 H LYS 23 H LYS 23 7.967 11.907 -14.725 174 HA LYS 23 HA LYS 23 8.363 12.265 -17.594 175 1HB LYS 23 1HB LYS 23 9.898 12.864 -15.204 176 2HB LYS 23 2HB LYS 23 10.841 11.898 -16.321 177 1HG LYS 23 1HG LYS 23 9.730 13.646 -18.096 178 2HG LYS 23 2HG LYS 23 9.723 14.661 -16.666 179 1HD LYS 23 1HD LYS 23 12.251 13.675 -16.464 180 2HD LYS 23 2HD LYS 23 12.055 13.553 -18.201 181 1HE LYS 23 1HE LYS 23 11.272 16.129 -16.814 182 2HE LYS 23 2HE LYS 23 12.969 15.801 -17.099 183 1HZ LYS 23 3HZ LYS 23 11.020 15.538 -19.261 184 2HZ LYS 23 1HZ LYS 23 11.666 16.991 -18.889 185 3HZ LYS 23 2HZ LYS 23 12.633 15.765 -19.368 186 H SER 24 H SER 24 8.411 9.876 -14.971 187 HA SER 24 HA SER 24 9.069 7.893 -17.005 188 1HB SER 24 1HB SER 24 9.807 6.732 -14.571 189 2HB SER 24 2HB SER 24 10.899 7.372 -15.783 190 HG SER 24 HG SER 24 10.313 8.349 -13.264 191 H THR 25 H THR 25 6.492 8.356 -16.927 192 HA THR 25 HA THR 25 5.176 6.982 -14.755 193 HB THR 25 HB THR 25 3.799 7.844 -17.300 194 HG1 THR 25 HG1 THR 25 4.066 10.072 -16.420 195 1HG2 THR 25 2HG2 THR 25 3.256 7.729 -14.347 196 2HG2 THR 25 3HG2 THR 25 2.585 9.131 -15.215 197 3HG2 THR 25 1HG2 THR 25 2.139 7.481 -15.710 198 H TRP 26 H TRP 26 5.857 4.842 -14.756 199 HA TRP 26 HA TRP 26 5.126 3.357 -17.188 200 1HB TRP 26 1HB TRP 26 7.237 2.781 -15.105 201 2HB TRP 26 2HB TRP 26 6.732 1.636 -16.332 202 HD1 TRP 26 HD1 TRP 26 6.672 4.834 -18.087 203 HE1 TRP 26 HE1 TRP 26 8.861 5.361 -19.464 204 HE3 TRP 26 HE3 TRP 26 9.558 1.292 -15.857 205 HZ2 TRP 26 HZ2 TRP 26 11.494 4.263 -19.465 206 HZ3 TRP 26 HZ3 TRP 26 11.928 1.085 -16.605 207 HH2 TRP 26 HH2 TRP 26 12.904 2.498 -18.343 208 H LEU 27 H LEU 27 3.663 1.645 -16.950 209 HA LEU 27 HA LEU 27 2.954 0.819 -14.265 210 1HB LEU 27 1HB LEU 27 0.800 1.527 -14.235 211 2HB LEU 27 2HB LEU 27 1.571 2.876 -15.044 212 HG LEU 27 HG LEU 27 -0.339 2.563 -16.303 213 1HD1 LEU 27 3HD1 LEU 27 1.963 2.281 -17.574 214 2HD1 LEU 27 1HD1 LEU 27 1.297 0.671 -17.938 215 3HD1 LEU 27 2HD1 LEU 27 0.404 2.133 -18.421 216 1HD2 LEU 27 3HD2 LEU 27 -0.456 0.067 -15.132 217 2HD2 LEU 27 1HD2 LEU 27 -1.609 0.730 -16.316 218 3HD2 LEU 27 2HD2 LEU 27 -0.268 -0.306 -16.862 219 H ILE 28 H ILE 28 1.241 -1.038 -14.455 220 HA ILE 28 HA ILE 28 1.883 -2.565 -16.882 221 HB ILE 28 HB ILE 28 1.327 -3.936 -14.297 222 1HG1 ILE 28 1HG1 ILE 28 4.159 -3.166 -14.890 223 2HG1 ILE 28 2HG1 ILE 28 3.125 -1.995 -14.098 224 1HG2 ILE 28 3HG2 ILE 28 1.529 -5.196 -16.402 225 2HG2 ILE 28 1HG2 ILE 28 3.179 -4.562 -16.612 226 3HG2 ILE 28 2HG2 ILE 28 2.802 -5.623 -15.233 227 1HD1 ILE 28 1HD1 ILE 28 2.673 -4.543 -12.833 228 2HD1 ILE 28 2HD1 ILE 28 4.429 -4.277 -12.940 229 3HD1 ILE 28 3HD1 ILE 28 3.395 -3.075 -12.130 230 H LEU 29 H LEU 29 0.161 -3.225 -18.065 231 HA LEU 29 HA LEU 29 -2.450 -3.101 -16.722 232 1HB LEU 29 1HB LEU 29 -1.527 -1.567 -18.862 233 2HB LEU 29 2HB LEU 29 -2.536 -2.793 -19.607 234 HG LEU 29 HG LEU 29 -3.294 -0.651 -17.639 235 1HD1 LEU 29 3HD1 LEU 29 -3.437 -0.262 -20.094 236 2HD1 LEU 29 1HD1 LEU 29 -4.624 -1.584 -20.195 237 3HD1 LEU 29 2HD1 LEU 29 -4.997 -0.123 -19.249 238 1HD2 LEU 29 3HD2 LEU 29 -4.229 -3.344 -17.487 239 2HD2 LEU 29 1HD2 LEU 29 -4.745 -1.922 -16.549 240 3HD2 LEU 29 2HD2 LEU 29 -5.554 -2.317 -18.084 241 H HIS 30 H HIS 30 -3.594 -4.970 -16.675 242 HA HIS 30 HA HIS 30 -4.235 -7.023 -17.116 243 1HB HIS 30 1HB HIS 30 -2.785 -6.816 -19.766 244 2HB HIS 30 2HB HIS 30 -4.036 -7.964 -19.340 245 HD1 HIS 30 HD1 HIS 30 -3.511 -4.387 -20.364 246 HD2 HIS 30 HD2 HIS 30 -6.685 -6.931 -19.340 247 HE1 HIS 30 HE1 HIS 30 -5.649 -3.172 -21.044 248 HE2 HIS 30 HE2 HIS 30 -7.561 -4.806 -20.441 249 H TYR 31 H TYR 31 -0.895 -6.700 -18.529 250 HA TYR 31 HA TYR 31 0.334 -8.089 -16.439 251 1HB TYR 31 1HB TYR 31 0.658 -10.267 -17.586 252 2HB TYR 31 2HB TYR 31 -1.063 -9.944 -17.530 253 HD1 TYR 31 HD1 TYR 31 -2.198 -8.996 -19.614 254 HD2 TYR 31 HD2 TYR 31 1.776 -10.578 -19.654 255 HE1 TYR 31 HE1 TYR 31 -2.324 -9.266 -22.139 256 HE2 TYR 31 HE2 TYR 31 1.638 -10.843 -22.179 257 HH TYR 31 HH TYR 31 -0.962 -9.467 -23.994 258 H LYS 32 H LYS 32 0.259 -6.150 -19.120 259 HA LYS 32 HA LYS 32 3.092 -6.630 -19.724 260 1HB LYS 32 1HB LYS 32 0.926 -5.310 -21.388 261 2HB LYS 32 2HB LYS 32 2.619 -5.381 -21.831 262 1HG LYS 32 1HG LYS 32 2.580 -7.704 -22.189 263 2HG LYS 32 2HG LYS 32 1.238 -7.962 -21.092 264 1HD LYS 32 1HD LYS 32 -0.283 -7.741 -22.766 265 2HD LYS 32 2HD LYS 32 0.409 -6.216 -23.281 266 1HE LYS 32 1HE LYS 32 2.245 -7.543 -24.469 267 2HE LYS 32 2HE LYS 32 1.363 -9.005 -24.079 268 1HZ LYS 32 2HZ LYS 32 -0.577 -7.752 -25.172 269 2HZ LYS 32 3HZ LYS 32 0.590 -6.844 -25.866 270 3HZ LYS 32 1HZ LYS 32 0.550 -8.457 -26.120 271 H VAL 33 H VAL 33 4.258 -4.477 -20.363 272 HA VAL 33 HA VAL 33 3.531 -2.519 -18.299 273 HB VAL 33 HB VAL 33 6.174 -3.341 -19.502 274 1HG1 VAL 33 2HG1 VAL 33 5.439 -0.738 -18.631 275 2HG1 VAL 33 3HG1 VAL 33 6.485 -1.438 -17.372 276 3HG1 VAL 33 1HG1 VAL 33 7.058 -1.344 -19.055 277 1HG2 VAL 33 1HG2 VAL 33 5.043 -3.430 -16.687 278 2HG2 VAL 33 2HG2 VAL 33 5.441 -4.810 -17.739 279 3HG2 VAL 33 3HG2 VAL 33 6.740 -3.774 -17.101 280 H TYR 34 H TYR 34 2.904 -0.514 -18.939 281 HA TYR 34 HA TYR 34 3.428 0.175 -21.753 282 1HB TYR 34 1HB TYR 34 1.144 1.004 -19.858 283 2HB TYR 34 2HB TYR 34 1.213 1.342 -21.575 284 HD1 TYR 34 HD1 TYR 34 -0.180 0.060 -22.901 285 HD2 TYR 34 HD2 TYR 34 1.464 -1.689 -19.359 286 HE1 TYR 34 HE1 TYR 34 -1.440 -2.098 -23.371 287 HE2 TYR 34 HE2 TYR 34 0.198 -3.840 -19.842 288 HH TYR 34 HH TYR 34 -1.148 -4.874 -21.167 289 H ASP 35 H ASP 35 3.895 2.393 -22.235 290 HA ASP 35 HA ASP 35 5.146 3.694 -20.000 291 1HB ASP 35 1HB ASP 35 5.726 3.457 -22.734 292 2HB ASP 35 2HB ASP 35 5.143 5.105 -22.602 293 H LEU 36 H LEU 36 3.524 4.763 -18.773 294 HA LEU 36 HA LEU 36 1.249 5.933 -19.922 295 1HB LEU 36 1HB LEU 36 2.601 6.119 -17.245 296 2HB LEU 36 2HB LEU 36 1.203 7.106 -17.622 297 HG LEU 36 HG LEU 36 1.390 4.122 -17.308 298 1HD1 LEU 36 2HD1 LEU 36 0.367 6.305 -15.778 299 2HD1 LEU 36 3HD1 LEU 36 -0.994 5.263 -16.256 300 3HD1 LEU 36 1HD1 LEU 36 0.393 4.570 -15.382 301 1HD2 LEU 36 3HD2 LEU 36 -0.488 5.617 -19.087 302 2HD2 LEU 36 1HD2 LEU 36 0.222 3.995 -19.268 303 3HD2 LEU 36 2HD2 LEU 36 -1.121 4.257 -18.128 304 H THR 37 H THR 37 4.571 7.051 -19.385 305 HA THR 37 HA THR 37 4.144 9.797 -19.500 306 HB THR 37 HB THR 37 6.417 7.893 -20.175 307 HG1 THR 37 HG1 THR 37 7.150 9.516 -18.343 308 1HG2 THR 37 3HG2 THR 37 6.345 10.225 -21.554 309 2HG2 THR 37 1HG2 THR 37 6.891 10.866 -19.986 310 3HG2 THR 37 2HG2 THR 37 7.852 9.623 -20.822 311 H LYS 38 H LYS 38 3.787 7.347 -21.970 312 HA LYS 38 HA LYS 38 3.924 9.359 -24.066 313 1HB LYS 38 1HB LYS 38 4.111 6.413 -23.910 314 2HB LYS 38 2HB LYS 38 3.234 7.018 -25.299 315 1HG LYS 38 1HG LYS 38 5.116 8.404 -25.990 316 2HG LYS 38 2HG LYS 38 5.964 8.108 -24.486 317 1HD LYS 38 1HD LYS 38 6.370 5.796 -25.045 318 2HD LYS 38 2HD LYS 38 5.205 5.826 -26.354 319 1HE LYS 38 1HE LYS 38 7.127 7.912 -26.868 320 2HE LYS 38 2HE LYS 38 8.024 6.467 -26.444 321 1HZ LYS 38 1HZ LYS 38 5.859 5.920 -28.191 322 2HZ LYS 38 2HZ LYS 38 6.912 6.984 -28.842 323 3HZ LYS 38 3HZ LYS 38 7.436 5.521 -28.338 324 H PHE 39 H PHE 39 1.669 7.886 -21.897 325 HA PHE 39 HA PHE 39 -0.531 8.731 -23.647 326 1HB PHE 39 1HB PHE 39 -0.281 6.257 -22.931 327 2HB PHE 39 2HB PHE 39 -0.467 6.779 -21.269 328 HD1 PHE 39 HD1 PHE 39 -2.351 8.110 -24.168 329 HD2 PHE 39 HD2 PHE 39 -2.459 5.647 -20.714 330 HE1 PHE 39 HE1 PHE 39 -4.843 7.914 -24.385 331 HE2 PHE 39 HE2 PHE 39 -4.952 5.451 -20.931 332 HZ PHE 39 HZ PHE 39 -6.114 6.587 -22.764 333 H LEU 40 H LEU 40 1.300 10.096 -21.426 334 HA LEU 40 HA LEU 40 -0.363 10.654 -19.257 335 1HB LEU 40 1HB LEU 40 2.225 11.221 -20.054 336 2HB LEU 40 2HB LEU 40 1.463 12.799 -20.022 337 HG LEU 40 HG LEU 40 0.639 12.130 -17.656 338 1HD1 LEU 40 1HD1 LEU 40 1.183 9.758 -17.781 339 2HD1 LEU 40 2HD1 LEU 40 2.907 10.149 -17.993 340 3HD1 LEU 40 3HD1 LEU 40 2.086 10.547 -16.466 341 1HD2 LEU 40 3HD2 LEU 40 2.645 13.683 -18.513 342 2HD2 LEU 40 1HD2 LEU 40 2.311 13.390 -16.789 343 3HD2 LEU 40 2HD2 LEU 40 3.591 12.471 -17.615 344 H GLU 41 H GLU 41 0.484 12.932 -21.962 345 HA GLU 41 HA GLU 41 -1.269 14.836 -21.524 346 1HB GLU 41 1HB GLU 41 -0.582 13.563 -24.204 347 2HB GLU 41 2HB GLU 41 -1.448 15.080 -24.069 348 1HG GLU 41 1HG GLU 41 0.454 16.038 -22.743 349 2HG GLU 41 2HG GLU 41 1.321 14.524 -22.899 350 H GLU 42 H GLU 42 -2.120 12.032 -23.692 351 HA GLU 42 HA GLU 42 -4.752 12.626 -23.944 352 1HB GLU 42 1HB GLU 42 -3.043 10.518 -24.668 353 2HB GLU 42 2HB GLU 42 -4.291 9.730 -23.725 354 1HG GLU 42 1HG GLU 42 -5.718 9.873 -25.478 355 2HG GLU 42 2HG GLU 42 -5.619 11.622 -25.423 356 H HIS 43 H HIS 43 -6.446 10.659 -23.067 357 HA HIS 43 HA HIS 43 -7.437 9.709 -21.316 358 1HB HIS 43 1HB HIS 43 -4.991 9.491 -20.400 359 2HB HIS 43 2HB HIS 43 -5.448 10.819 -19.351 360 HD1 HIS 43 HD1 HIS 43 -7.607 10.351 -17.753 361 HD2 HIS 43 HD2 HIS 43 -5.849 7.003 -19.568 362 HE1 HIS 43 HE1 HIS 43 -8.443 8.316 -16.460 363 HE2 HIS 43 HE2 HIS 43 -7.373 6.285 -17.655 364 HA PRO 44 HA PRO 44 -9.718 13.248 -20.269 365 1HB PRO 44 1HB PRO 44 -11.814 12.051 -18.988 366 2HB PRO 44 2HB PRO 44 -11.705 12.182 -20.732 367 1HG PRO 44 1HG PRO 44 -11.270 9.813 -19.020 368 2HG PRO 44 2HG PRO 44 -11.583 9.879 -20.743 369 1HD PRO 44 1HD PRO 44 -9.054 9.408 -19.476 370 2HD PRO 44 2HD PRO 44 -9.346 9.590 -21.194 371 H GLY 45 H GLY 45 -9.415 10.870 -17.676 372 1HA GLY 45 2HA GLY 45 -8.775 11.140 -15.535 373 2HA GLY 45 1HA GLY 45 -9.874 12.505 -15.526 374 H GLY 46 H GLY 46 -6.974 12.296 -17.625 375 1HA GLY 46 2HA GLY 46 -5.698 14.376 -15.952 376 2HA GLY 46 1HA GLY 46 -5.786 14.488 -17.698 377 H GLU 47 H GLU 47 -3.307 14.519 -16.315 378 HA GLU 47 HA GLU 47 -2.125 12.218 -17.547 379 1HB GLU 47 1HB GLU 47 -1.126 14.823 -16.409 380 2HB GLU 47 2HB GLU 47 0.012 13.499 -16.556 381 1HG GLU 47 1HG GLU 47 -0.024 13.530 -18.874 382 2HG GLU 47 2HG GLU 47 -1.714 13.988 -18.953 383 H GLU 48 H GLU 48 -2.607 13.616 -14.270 384 HA GLU 48 HA GLU 48 -0.944 11.917 -12.897 385 1HB GLU 48 1HB GLU 48 -2.648 13.991 -12.254 386 2HB GLU 48 2HB GLU 48 -3.482 12.634 -11.524 387 1HG GLU 48 1HG GLU 48 -1.048 12.015 -10.616 388 2HG GLU 48 2HG GLU 48 -0.721 13.710 -10.918 389 H VAL 49 H VAL 49 -4.437 11.563 -13.783 390 HA VAL 49 HA VAL 49 -5.166 9.363 -12.464 391 HB VAL 49 HB VAL 49 -6.519 10.622 -14.079 392 1HG1 VAL 49 3HG1 VAL 49 -4.467 10.206 -15.855 393 2HG1 VAL 49 1HG1 VAL 49 -5.690 9.043 -16.423 394 3HG1 VAL 49 2HG1 VAL 49 -6.101 10.770 -16.286 395 1HG2 VAL 49 3HG2 VAL 49 -6.708 7.946 -13.433 396 2HG2 VAL 49 1HG2 VAL 49 -7.972 8.915 -14.228 397 3HG2 VAL 49 2HG2 VAL 49 -6.857 7.931 -15.207 398 H LEU 50 H LEU 50 -2.715 9.569 -15.029 399 HA LEU 50 HA LEU 50 -2.511 6.668 -15.111 400 1HB LEU 50 1HB LEU 50 -1.015 8.782 -16.665 401 2HB LEU 50 2HB LEU 50 -0.953 7.053 -16.938 402 HG LEU 50 HG LEU 50 -3.688 7.741 -17.070 403 1HD1 LEU 50 3HD1 LEU 50 -2.913 10.105 -17.282 404 2HD1 LEU 50 1HD1 LEU 50 -2.060 9.643 -18.774 405 3HD1 LEU 50 2HD1 LEU 50 -3.832 9.506 -18.683 406 1HD2 LEU 50 2HD2 LEU 50 -2.260 6.020 -18.336 407 2HD2 LEU 50 3HD2 LEU 50 -3.589 6.814 -19.214 408 3HD2 LEU 50 1HD2 LEU 50 -1.909 7.344 -19.472 409 H ARG 51 H ARG 51 -0.765 9.602 -14.007 410 HA ARG 51 HA ARG 51 1.571 8.248 -13.345 411 1HB ARG 51 1HB ARG 51 1.288 10.766 -13.610 412 2HB ARG 51 2HB ARG 51 0.447 10.794 -12.073 413 1HG ARG 51 1HG ARG 51 3.073 9.389 -12.008 414 2HG ARG 51 2HG ARG 51 3.180 11.098 -12.379 415 1HD ARG 51 1HD ARG 51 1.470 10.154 -10.052 416 2HD ARG 51 2HD ARG 51 3.203 10.323 -9.854 417 HE ARG 51 HE ARG 51 1.286 12.477 -9.993 418 1HH1 ARG 51 2HH1 ARG 51 2.019 14.642 -9.996 419 2HH1 ARG 51 1HH1 ARG 51 3.665 14.998 -10.400 420 1HH2 ARG 51 2HH2 ARG 51 4.570 11.637 -10.936 421 2HH2 ARG 51 1HH2 ARG 51 5.126 13.277 -10.938 422 H GLU 52 H GLU 52 -1.459 9.027 -11.562 423 HA GLU 52 HA GLU 52 -0.533 8.259 -9.056 424 1HB GLU 52 1HB GLU 52 -2.923 8.213 -8.430 425 2HB GLU 52 2HB GLU 52 -2.557 9.629 -9.394 426 1HG GLU 52 1HG GLU 52 -4.354 8.981 -10.650 427 2HG GLU 52 2HG GLU 52 -3.230 7.849 -11.380 428 H GLN 53 H GLN 53 -1.103 6.419 -11.881 429 HA GLN 53 HA GLN 53 -1.568 4.034 -10.273 430 1HB GLN 53 1HB GLN 53 -2.305 2.990 -12.451 431 2HB GLN 53 2HB GLN 53 -3.318 4.316 -11.916 432 1HG GLN 53 1HG GLN 53 -2.071 5.871 -13.439 433 2HG GLN 53 2HG GLN 53 -1.077 4.535 -13.984 434 1HE2 GLN 53 1HE2 GLN 53 -4.209 6.028 -14.038 435 2HE2 GLN 53 2HE2 GLN 53 -4.918 5.099 -15.316 436 H ALA 54 H ALA 54 0.685 5.781 -12.285 437 HA ALA 54 HA ALA 54 2.193 3.588 -13.217 438 1HB ALA 54 1HB ALA 54 2.106 6.127 -13.919 439 2HB ALA 54 3HB ALA 54 3.633 5.223 -14.049 440 3HB ALA 54 2HB ALA 54 3.360 6.314 -12.671 441 H GLY 55 H GLY 55 3.721 2.339 -12.225 442 1HA GLY 55 2HA GLY 55 4.445 3.104 -9.459 443 2HA GLY 55 1HA GLY 55 5.631 2.520 -10.611 444 H GLY 56 H GLY 56 3.180 0.782 -11.722 445 1HA GLY 56 2HA GLY 56 2.823 -1.147 -9.598 446 2HA GLY 56 1HA GLY 56 3.910 -1.671 -10.869 447 H ASP 57 H ASP 57 1.666 -3.171 -10.575 448 HA ASP 57 HA ASP 57 0.493 -2.953 -13.081 449 1HB ASP 57 1HB ASP 57 0.467 -5.129 -12.218 450 2HB ASP 57 2HB ASP 57 0.059 -4.597 -10.600 451 H ALA 58 H ALA 58 -0.987 -1.341 -13.632 452 HA ALA 58 HA ALA 58 -2.615 -0.173 -11.534 453 1HB ALA 58 3HB ALA 58 -2.274 0.511 -14.482 454 2HB ALA 58 2HB ALA 58 -1.406 1.274 -13.128 455 3HB ALA 58 1HB ALA 58 -3.167 1.479 -13.285 456 H THR 59 H THR 59 -2.758 -2.668 -13.930 457 HA THR 59 HA THR 59 -5.326 -2.577 -14.862 458 HB THR 59 HB THR 59 -3.165 -4.345 -14.879 459 HG1 THR 59 HG1 THR 59 -5.991 -4.664 -15.616 460 1HG2 THR 59 3HG2 THR 59 -5.612 -5.687 -13.612 461 2HG2 THR 59 1HG2 THR 59 -4.231 -6.551 -14.331 462 3HG2 THR 59 2HG2 THR 59 -3.999 -5.561 -12.869 463 H GLU 60 H GLU 60 -4.228 -4.035 -11.730 464 HA GLU 60 HA GLU 60 -6.528 -5.023 -10.848 465 1HB GLU 60 1HB GLU 60 -5.740 -4.345 -8.517 466 2HB GLU 60 2HB GLU 60 -4.569 -5.212 -9.489 467 1HG GLU 60 1HG GLU 60 -3.124 -3.499 -9.132 468 2HG GLU 60 2HG GLU 60 -4.131 -2.515 -10.173 469 H ASN 61 H ASN 61 -5.805 -1.625 -11.416 470 HA ASN 61 HA ASN 61 -8.243 -0.890 -10.021 471 1HB ASN 61 1HB ASN 61 -5.699 0.329 -10.166 472 2HB ASN 61 2HB ASN 61 -6.678 1.306 -11.242 473 1HD2 ASN 61 1HD2 ASN 61 -8.881 1.896 -10.390 474 2HD2 ASN 61 2HD2 ASN 61 -8.996 2.406 -8.738 475 H PHE 62 H PHE 62 -6.384 -0.402 -13.115 476 HA PHE 62 HA PHE 62 -8.272 0.998 -14.522 477 1HB PHE 62 1HB PHE 62 -6.337 0.771 -15.793 478 2HB PHE 62 2HB PHE 62 -5.883 -0.695 -14.947 479 HD1 PHE 62 HD1 PHE 62 -6.691 0.587 -18.057 480 HD2 PHE 62 HD2 PHE 62 -7.453 -2.794 -15.609 481 HE1 PHE 62 HE1 PHE 62 -7.251 -0.764 -20.097 482 HE2 PHE 62 HE2 PHE 62 -8.012 -4.146 -17.648 483 HZ PHE 62 HZ PHE 62 -7.905 -3.114 -19.868 484 H GLU 63 H GLU 63 -8.446 -2.263 -13.358 485 HA GLU 63 HA GLU 63 -10.149 -3.178 -15.447 486 1HB GLU 63 1HB GLU 63 -8.873 -4.291 -13.022 487 2HB GLU 63 2HB GLU 63 -10.478 -4.934 -13.309 488 1HG GLU 63 1HG GLU 63 -8.544 -4.750 -15.629 489 2HG GLU 63 2HG GLU 63 -8.342 -6.041 -14.461 490 H ASP 64 H ASP 64 -10.470 -1.739 -12.193 491 HA ASP 64 HA ASP 64 -13.191 -2.356 -11.921 492 1HB ASP 64 1HB ASP 64 -11.198 -1.306 -10.302 493 2HB ASP 64 2HB ASP 64 -12.180 0.115 -10.599 494 H VAL 65 H VAL 65 -11.308 0.617 -12.857 495 HA VAL 65 HA VAL 65 -13.400 2.347 -13.239 496 HB VAL 65 HB VAL 65 -11.152 3.098 -13.245 497 1HG1 VAL 65 1HG1 VAL 65 -10.244 0.937 -14.250 498 2HG1 VAL 65 2HG1 VAL 65 -10.611 1.641 -15.843 499 3HG1 VAL 65 3HG1 VAL 65 -9.451 2.446 -14.760 500 1HG2 VAL 65 3HG2 VAL 65 -12.956 4.112 -14.890 501 2HG2 VAL 65 1HG2 VAL 65 -11.273 4.691 -14.907 502 3HG2 VAL 65 2HG2 VAL 65 -11.828 3.529 -16.136 503 H GLY 66 H GLY 66 -12.617 -0.562 -14.971 504 1HA GLY 66 2HA GLY 66 -14.938 -0.616 -16.461 505 2HA GLY 66 1HA GLY 66 -13.484 -1.532 -16.803 506 H HIS 67 H HIS 67 -11.661 -0.296 -17.978 507 HA HIS 67 HA HIS 67 -12.346 2.050 -19.380 508 1HB HIS 67 1HB HIS 67 -10.110 0.034 -19.657 509 2HB HIS 67 2HB HIS 67 -10.249 1.430 -20.707 510 HD1 HIS 67 HD1 HIS 67 -8.974 0.378 -17.428 511 HD2 HIS 67 HD2 HIS 67 -10.094 3.989 -19.245 512 HE1 HIS 67 HE1 HIS 67 -7.967 2.239 -16.002 513 HE2 HIS 67 HE2 HIS 67 -8.643 4.432 -17.199 514 H SER 68 H SER 68 -11.802 1.830 -22.004 515 HA SER 68 HA SER 68 -13.874 -0.014 -22.878 516 1HB SER 68 1HB SER 68 -14.400 1.495 -24.606 517 2HB SER 68 2HB SER 68 -14.016 2.556 -23.265 518 HG SER 68 HG SER 68 -12.737 3.441 -24.776 519 H THR 69 H THR 69 -13.520 -1.281 -24.848 520 HA THR 69 HA THR 69 -11.082 -2.527 -25.013 521 HB THR 69 HB THR 69 -13.447 -2.173 -26.895 522 HG1 THR 69 HG1 THR 69 -13.939 -4.004 -25.742 523 1HG2 THR 69 1HG2 THR 69 -10.939 -3.885 -27.307 524 2HG2 THR 69 2HG2 THR 69 -12.474 -4.133 -28.176 525 3HG2 THR 69 3HG2 THR 69 -11.551 -2.629 -28.410 526 H ASP 70 H ASP 70 -11.975 0.629 -26.210 527 HA ASP 70 HA ASP 70 -9.982 0.689 -28.211 528 1HB ASP 70 1HB ASP 70 -12.052 2.138 -28.164 529 2HB ASP 70 2HB ASP 70 -11.399 2.984 -26.776 530 H ALA 71 H ALA 71 -10.405 1.994 -24.846 531 HA ALA 71 HA ALA 71 -7.991 3.352 -24.670 532 1HB ALA 71 3HB ALA 71 -8.374 3.150 -22.217 533 2HB ALA 71 1HB ALA 71 -9.843 3.639 -23.095 534 3HB ALA 71 2HB ALA 71 -9.658 1.959 -22.536 535 H ARG 72 H ARG 72 -8.852 -0.096 -24.094 536 HA ARG 72 HA ARG 72 -6.384 -0.768 -23.006 537 1HB ARG 72 1HB ARG 72 -8.232 -2.625 -24.578 538 2HB ARG 72 2HB ARG 72 -7.104 -3.086 -23.320 539 1HG ARG 72 1HG ARG 72 -8.412 -1.933 -21.612 540 2HG ARG 72 2HG ARG 72 -9.434 -1.181 -22.821 541 1HD ARG 72 1HD ARG 72 -10.751 -2.999 -22.049 542 2HD ARG 72 2HD ARG 72 -10.070 -3.605 -23.546 543 HE ARG 72 HE ARG 72 -8.268 -4.249 -21.418 544 1HH1 ARG 72 2HH1 ARG 72 -8.190 -6.362 -20.553 545 2HH1 ARG 72 1HH1 ARG 72 -9.532 -7.436 -20.771 546 1HH2 ARG 72 2HH2 ARG 72 -11.465 -5.127 -22.597 547 2HH2 ARG 72 1HH2 ARG 72 -11.407 -6.730 -21.942 548 H GLU 73 H GLU 73 -7.747 -0.910 -26.357 549 HA GLU 73 HA GLU 73 -5.519 -2.156 -27.473 550 1HB GLU 73 1HB GLU 73 -8.067 -1.161 -28.342 551 2HB GLU 73 2HB GLU 73 -6.856 -0.473 -29.408 552 1HG GLU 73 1HG GLU 73 -5.962 -2.692 -29.939 553 2HG GLU 73 2HG GLU 73 -6.974 -3.445 -28.722 554 H LEU 74 H LEU 74 -6.391 1.264 -26.858 555 HA LEU 74 HA LEU 74 -4.401 2.415 -28.451 556 1HB LEU 74 1HB LEU 74 -5.475 4.234 -27.845 557 2HB LEU 74 2HB LEU 74 -6.488 3.256 -26.801 558 HG LEU 74 HG LEU 74 -4.420 3.600 -25.127 559 1HD1 LEU 74 1HD1 LEU 74 -4.245 5.869 -27.094 560 2HD1 LEU 74 2HD1 LEU 74 -3.793 6.096 -25.387 561 3HD1 LEU 74 3HD1 LEU 74 -2.945 4.885 -26.379 562 1HD2 LEU 74 3HD2 LEU 74 -7.002 4.862 -25.554 563 2HD2 LEU 74 1HD2 LEU 74 -6.210 4.351 -24.043 564 3HD2 LEU 74 2HD2 LEU 74 -5.857 5.953 -24.736 565 H SER 75 H SER 75 -4.438 1.232 -25.051 566 HA SER 75 HA SER 75 -2.018 2.248 -24.290 567 1HB SER 75 1HB SER 75 -2.234 -0.317 -23.088 568 2HB SER 75 2HB SER 75 -2.714 1.223 -22.404 569 HG SER 75 HG SER 75 -4.712 0.474 -22.495 570 H LYS 76 H LYS 76 -2.809 -0.368 -26.511 571 HA LYS 76 HA LYS 76 -0.407 -1.806 -26.335 572 1HB LYS 76 1HB LYS 76 -1.453 -3.143 -27.779 573 2HB LYS 76 2HB LYS 76 -2.828 -2.065 -27.654 574 1HG LYS 76 1HG LYS 76 -1.917 -0.697 -29.554 575 2HG LYS 76 2HG LYS 76 -0.564 -1.802 -29.689 576 1HD LYS 76 1HD LYS 76 -1.879 -3.544 -30.547 577 2HD LYS 76 2HD LYS 76 -3.340 -2.977 -29.765 578 1HE LYS 76 1HE LYS 76 -2.543 -0.887 -31.547 579 2HE LYS 76 2HE LYS 76 -2.357 -2.381 -32.442 580 1HZ LYS 76 2HZ LYS 76 -4.665 -2.880 -31.439 581 2HZ LYS 76 3HZ LYS 76 -4.766 -1.259 -31.268 582 3HZ LYS 76 1HZ LYS 76 -4.544 -1.912 -32.748 583 H THR 77 H THR 77 -1.019 1.396 -27.315 584 HA THR 77 HA THR 77 1.116 1.429 -29.296 585 HB THR 77 HB THR 77 -1.197 2.684 -29.379 586 HG1 THR 77 HG1 THR 77 -0.022 4.063 -30.732 587 1HG2 THR 77 1HG2 THR 77 -0.444 3.758 -26.975 588 2HG2 THR 77 2HG2 THR 77 0.304 4.936 -28.080 589 3HG2 THR 77 3HG2 THR 77 -1.450 4.639 -28.150 590 H PHE 78 H PHE 78 0.681 1.793 -25.879 591 HA PHE 78 HA PHE 78 3.170 3.324 -25.717 592 1HB PHE 78 1HB PHE 78 1.181 2.507 -23.523 593 2HB PHE 78 2HB PHE 78 2.380 3.780 -23.418 594 HD1 PHE 78 HD1 PHE 78 -0.894 3.506 -23.327 595 HD2 PHE 78 HD2 PHE 78 1.992 5.289 -25.877 596 HE1 PHE 78 HE1 PHE 78 -2.602 5.179 -24.093 597 HE2 PHE 78 HE2 PHE 78 0.284 6.961 -26.642 598 HZ PHE 78 HZ PHE 78 -1.992 6.886 -25.741 599 H ILE 79 H ILE 79 1.794 0.143 -25.374 600 HA ILE 79 HA ILE 79 3.188 -0.990 -23.344 601 HB ILE 79 HB ILE 79 2.107 -1.922 -25.942 602 1HG1 ILE 79 1HG1 ILE 79 1.570 -2.232 -23.039 603 2HG1 ILE 79 2HG1 ILE 79 0.458 -2.030 -24.380 604 1HG2 ILE 79 3HG2 ILE 79 4.305 -3.049 -25.828 605 2HG2 ILE 79 1HG2 ILE 79 3.863 -3.707 -24.234 606 3HG2 ILE 79 2HG2 ILE 79 2.937 -4.178 -25.680 607 1HD1 ILE 79 2HD1 ILE 79 1.063 -4.414 -25.108 608 2HD1 ILE 79 3HD1 ILE 79 1.912 -4.576 -23.552 609 3HD1 ILE 79 1HD1 ILE 79 0.157 -4.281 -23.582 610 H ILE 80 H ILE 80 5.295 -0.979 -22.800 611 HA ILE 80 HA ILE 80 7.223 -0.740 -24.997 612 HB ILE 80 HB ILE 80 8.751 -0.007 -23.094 613 1HG1 ILE 80 1HG1 ILE 80 6.187 0.637 -21.643 614 2HG1 ILE 80 2HG1 ILE 80 7.037 -0.867 -21.350 615 1HG2 ILE 80 2HG2 ILE 80 6.486 1.542 -24.290 616 2HG2 ILE 80 3HG2 ILE 80 7.512 2.316 -23.057 617 3HG2 ILE 80 1HG2 ILE 80 8.241 1.685 -24.553 618 1HD1 ILE 80 2HD1 ILE 80 9.044 1.145 -21.309 619 2HD1 ILE 80 3HD1 ILE 80 7.670 1.803 -20.387 620 3HD1 ILE 80 1HD1 ILE 80 8.393 0.244 -19.919 621 H GLY 81 H GLY 81 6.079 -2.700 -22.284 622 1HA GLY 81 2HA GLY 81 8.211 -4.303 -21.704 623 2HA GLY 81 1HA GLY 81 7.603 -4.945 -23.217 624 H GLU 82 H GLU 82 7.581 -6.176 -20.496 625 HA GLU 82 HA GLU 82 4.834 -6.056 -19.708 626 1HB GLU 82 1HB GLU 82 5.782 -8.820 -20.434 627 2HB GLU 82 2HB GLU 82 4.147 -8.197 -20.342 628 1HG GLU 82 1HG GLU 82 4.494 -6.876 -22.408 629 2HG GLU 82 2HG GLU 82 6.170 -7.378 -22.479 630 H LEU 83 H LEU 83 4.445 -7.554 -17.757 631 HA LEU 83 HA LEU 83 6.598 -7.203 -15.957 632 1HB LEU 83 1HB LEU 83 4.073 -7.142 -15.538 633 2HB LEU 83 2HB LEU 83 4.148 -8.893 -15.507 634 HG LEU 83 HG LEU 83 4.499 -8.685 -13.317 635 1HD1 LEU 83 3HD1 LEU 83 6.735 -9.341 -14.012 636 2HD1 LEU 83 1HD1 LEU 83 7.208 -7.633 -14.181 637 3HD1 LEU 83 2HD1 LEU 83 6.810 -8.293 -12.575 638 1HD2 LEU 83 3HD2 LEU 83 4.337 -5.938 -13.995 639 2HD2 LEU 83 1HD2 LEU 83 4.073 -6.708 -12.412 640 3HD2 LEU 83 2HD2 LEU 83 5.694 -6.123 -12.858 641 H HIS 84 H HIS 84 8.308 -8.501 -15.546 642 HA HIS 84 HA HIS 84 8.592 -10.891 -17.027 643 1HB HIS 84 1HB HIS 84 10.262 -9.078 -15.682 644 2HB HIS 84 2HB HIS 84 10.472 -10.596 -14.832 645 HD1 HIS 84 HD1 HIS 84 12.972 -10.354 -15.935 646 HD2 HIS 84 HD2 HIS 84 9.818 -11.260 -18.549 647 HE1 HIS 84 HE1 HIS 84 14.046 -11.262 -18.064 648 HE2 HIS 84 HE2 HIS 84 12.056 -11.852 -19.611 649 HA PRO 85 HA PRO 85 7.513 -13.879 -14.058 650 1HB PRO 85 1HB PRO 85 9.660 -15.513 -13.621 651 2HB PRO 85 2HB PRO 85 8.651 -15.616 -15.051 652 1HG PRO 85 1HG PRO 85 11.371 -14.488 -14.779 653 2HG PRO 85 2HG PRO 85 10.529 -14.986 -16.234 654 1HD PRO 85 1HD PRO 85 10.936 -12.298 -15.320 655 2HD PRO 85 2HD PRO 85 9.995 -12.801 -16.710 656 H ASP 86 H ASP 86 9.289 -11.428 -13.106 657 HA ASP 86 HA ASP 86 10.059 -12.394 -10.559 658 1HB ASP 86 1HB ASP 86 11.372 -10.567 -10.969 659 2HB ASP 86 2HB ASP 86 10.231 -9.895 -12.116 660 H ASP 87 H ASP 87 7.193 -11.019 -12.084 661 HA ASP 87 HA ASP 87 5.714 -11.402 -9.704 662 1HB ASP 87 1HB ASP 87 6.386 -8.625 -10.688 663 2HB ASP 87 2HB ASP 87 4.786 -8.901 -10.029 664 H ARG 88 H ARG 88 5.684 -12.535 -12.339 665 HA ARG 88 HA ARG 88 3.842 -11.163 -13.963 666 1HB ARG 88 1HB ARG 88 5.593 -13.384 -14.218 667 2HB ARG 88 2HB ARG 88 3.992 -14.055 -14.465 668 1HG ARG 88 1HG ARG 88 3.586 -12.768 -16.380 669 2HG ARG 88 2HG ARG 88 4.648 -11.471 -15.870 670 1HD ARG 88 1HD ARG 88 6.468 -12.408 -16.891 671 2HD ARG 88 2HD ARG 88 6.116 -14.002 -16.251 672 HE ARG 88 HE ARG 88 5.383 -12.998 -18.876 673 1HH1 ARG 88 2HH1 ARG 88 4.205 -14.356 -20.287 674 2HH1 ARG 88 1HH1 ARG 88 3.383 -15.747 -19.663 675 1HH2 ARG 88 2HH2 ARG 88 4.369 -15.200 -16.326 676 2HH2 ARG 88 1HH2 ARG 88 3.476 -16.230 -17.395 677 H SER 89 H SER 89 3.610 -14.426 -12.347 678 HA SER 89 HA SER 89 0.844 -14.522 -12.607 679 1HB SER 89 1HB SER 89 0.987 -16.476 -11.103 680 2HB SER 89 2HB SER 89 2.249 -16.530 -12.318 681 HG SER 89 HG SER 89 3.725 -16.482 -10.774 682 H LYS 90 H LYS 90 2.665 -12.417 -10.783 683 HA LYS 90 HA LYS 90 1.015 -12.505 -8.405 684 1HB LYS 90 1HB LYS 90 3.652 -11.623 -9.054 685 2HB LYS 90 2HB LYS 90 2.752 -10.228 -8.493 686 1HG LYS 90 1HG LYS 90 2.813 -12.901 -7.015 687 2HG LYS 90 2HG LYS 90 3.895 -11.570 -6.653 688 1HD LYS 90 1HD LYS 90 1.698 -10.140 -6.414 689 2HD LYS 90 2HD LYS 90 0.878 -11.686 -6.311 690 1HE LYS 90 1HE LYS 90 2.001 -12.296 -4.300 691 2HE LYS 90 2HE LYS 90 3.294 -11.141 -4.555 692 1HZ LYS 90 3HZ LYS 90 0.545 -10.217 -4.205 693 2HZ LYS 90 1HZ LYS 90 1.470 -10.576 -2.907 694 3HZ LYS 90 2HZ LYS 90 1.938 -9.404 -3.943 695 H ILE 91 H ILE 91 1.202 -10.900 -11.522 696 HA ILE 91 HA ILE 91 -1.083 -9.265 -10.698 697 HB ILE 91 HB ILE 91 -0.224 -7.323 -11.450 698 1HG1 ILE 91 1HG1 ILE 91 1.527 -8.893 -13.362 699 2HG1 ILE 91 2HG1 ILE 91 0.077 -7.991 -13.757 700 1HG2 ILE 91 3HG2 ILE 91 1.401 -8.623 -9.761 701 2HG2 ILE 91 1HG2 ILE 91 2.536 -8.366 -11.107 702 3HG2 ILE 91 2HG2 ILE 91 1.724 -6.975 -10.350 703 1HD1 ILE 91 2HD1 ILE 91 2.078 -6.368 -12.301 704 2HD1 ILE 91 3HD1 ILE 91 2.665 -6.990 -13.862 705 3HD1 ILE 91 1HD1 ILE 91 1.187 -5.999 -13.798 706 H THR 92 H THR 92 0.867 -10.670 -13.403 707 HA THR 92 HA THR 92 -0.667 -10.340 -15.540 708 HB THR 92 HB THR 92 1.441 -11.843 -15.085 709 HG1 THR 92 HG1 THR 92 -0.830 -12.612 -16.779 710 1HG2 THR 92 3HG2 THR 92 -0.333 -13.455 -13.720 711 2HG2 THR 92 1HG2 THR 92 -0.434 -14.155 -15.353 712 3HG2 THR 92 2HG2 THR 92 1.136 -14.066 -14.518 713 H LYS 93 H LYS 93 -2.531 -11.123 -16.531 714 HA LYS 93 HA LYS 93 -4.593 -11.903 -16.644 715 1HB LYS 93 1HB LYS 93 -3.321 -13.851 -14.794 716 2HB LYS 93 2HB LYS 93 -5.073 -13.828 -14.807 717 1HG LYS 93 1HG LYS 93 -5.063 -14.085 -17.293 718 2HG LYS 93 2HG LYS 93 -3.311 -14.086 -17.291 719 1HD LYS 93 1HD LYS 93 -3.713 -16.382 -17.271 720 2HD LYS 93 2HD LYS 93 -3.603 -16.081 -15.547 721 1HE LYS 93 1HE LYS 93 -5.959 -16.180 -15.242 722 2HE LYS 93 2HE LYS 93 -6.292 -15.860 -16.933 723 1HZ LYS 93 3HZ LYS 93 -4.900 -18.105 -17.097 724 2HZ LYS 93 1HZ LYS 93 -5.631 -18.339 -15.656 725 3HZ LYS 93 2HZ LYS 93 -6.528 -18.060 -16.992 726 HA PRO 94 HA PRO 94 -6.202 -9.182 -13.595 727 1HB PRO 94 1HB PRO 94 -8.323 -8.284 -15.068 728 2HB PRO 94 2HB PRO 94 -6.730 -7.553 -15.134 729 1HG PRO 94 1HG PRO 94 -8.044 -9.313 -17.112 730 2HG PRO 94 2HG PRO 94 -6.670 -8.249 -17.332 731 1HD PRO 94 1HD PRO 94 -6.603 -11.102 -17.053 732 2HD PRO 94 2HD PRO 94 -5.224 -10.026 -17.158 733 H SER 95 H SER 95 -7.986 -9.053 -12.135 734 HA SER 95 HA SER 95 -10.214 -10.622 -12.505 735 1HB SER 95 1HB SER 95 -9.836 -12.611 -11.279 736 2HB SER 95 2HB SER 95 -8.400 -12.450 -12.269 737 HG SER 95 HG SER 95 -8.714 -11.996 -9.452 738 H GLU 96 H GLU 96 -11.700 -10.364 -10.710 739 HA GLU 96 HA GLU 96 -10.789 -9.370 -8.246 740 1HB GLU 96 1HB GLU 96 -10.787 -7.373 -10.070 741 2HB GLU 96 2HB GLU 96 -12.480 -7.303 -9.618 742 1HG GLU 96 1HG GLU 96 -11.415 -5.822 -8.091 743 2HG GLU 96 2HG GLU 96 -11.672 -7.282 -7.155 744 H SER 97 H SER 97 -12.344 -9.805 -6.688 745 HA SER 97 HA SER 97 -15.071 -10.083 -7.623 746 1HB SER 97 1HB SER 97 -15.321 -12.244 -6.419 747 2HB SER 97 2HB SER 97 -14.162 -12.357 -7.728 748 HG SER 97 HG SER 97 -13.061 -13.296 -6.077 749 H ILE 98 H ILE 98 -15.972 -8.433 -6.403 750 HA ILE 98 HA ILE 98 -15.523 -8.607 -3.510 751 HB ILE 98 HB ILE 98 -15.378 -6.261 -3.307 752 1HG1 ILE 98 1HG1 ILE 98 -17.057 -5.731 -5.088 753 2HG1 ILE 98 2HG1 ILE 98 -15.662 -4.671 -5.056 754 1HG2 ILE 98 3HG2 ILE 98 -13.580 -7.554 -5.311 755 2HG2 ILE 98 1HG2 ILE 98 -13.428 -5.802 -5.036 756 3HG2 ILE 98 2HG2 ILE 98 -13.229 -6.936 -3.679 757 1HD1 ILE 98 2HD1 ILE 98 -14.921 -6.813 -6.766 758 2HD1 ILE 98 3HD1 ILE 98 -16.597 -6.400 -7.203 759 3HD1 ILE 98 1HD1 ILE 98 -15.332 -5.149 -7.244 760 H ILE 99 H ILE 99 -17.354 -8.127 -2.204 761 HA ILE 99 HA ILE 99 -19.843 -8.467 -3.660 762 HB ILE 99 HB ILE 99 -20.792 -8.965 -1.486 763 1HG1 ILE 99 1HG1 ILE 99 -18.676 -9.210 0.281 764 2HG1 ILE 99 2HG1 ILE 99 -18.335 -7.686 -0.516 765 1HG2 ILE 99 3HG2 ILE 99 -19.582 -10.699 -2.852 766 2HG2 ILE 99 1HG2 ILE 99 -18.178 -10.459 -1.783 767 3HG2 ILE 99 2HG2 ILE 99 -19.716 -11.053 -1.112 768 1HD1 ILE 99 2HD1 ILE 99 -20.649 -6.899 -0.023 769 2HD1 ILE 99 3HD1 ILE 99 -20.990 -8.445 0.791 770 3HD1 ILE 99 1HD1 ILE 99 -19.773 -7.333 1.466 771 H THR 100 H THR 100 -21.108 -6.778 -4.202 772 HA THR 100 HA THR 100 -20.595 -4.235 -2.830 773 HB THR 100 HB THR 100 -21.844 -4.987 -5.523 774 HG1 THR 100 HG1 THR 100 -19.824 -4.137 -6.202 775 1HG2 THR 100 3HG2 THR 100 -22.450 -2.684 -4.035 776 2HG2 THR 100 1HG2 THR 100 -21.069 -2.173 -5.034 777 3HG2 THR 100 2HG2 THR 100 -22.538 -2.817 -5.807 778 H THR 101 H THR 101 -21.883 -3.713 -1.187 779 HA THR 101 HA THR 101 -24.721 -3.889 -1.520 780 HB THR 101 HB THR 101 -24.191 -6.234 -0.851 781 HG1 THR 101 HG1 THR 101 -25.152 -4.563 1.362 782 1HG2 THR 101 2HG2 THR 101 -22.100 -5.321 0.598 783 2HG2 THR 101 3HG2 THR 101 -23.342 -5.241 1.871 784 3HG2 THR 101 1HG2 THR 101 -22.980 -6.793 1.076 785 H ILE 102 H ILE 102 -24.131 -1.566 -1.412 786 HA ILE 102 HA ILE 102 -23.802 -0.780 1.401 787 HB ILE 102 HB ILE 102 -22.828 1.328 0.491 788 1HG1 ILE 102 1HG1 ILE 102 -22.561 -0.206 -2.108 789 2HG1 ILE 102 2HG1 ILE 102 -23.791 1.010 -1.825 790 1HG2 ILE 102 3HG2 ILE 102 -21.614 -0.929 1.233 791 2HG2 ILE 102 1HG2 ILE 102 -21.043 -0.861 -0.451 792 3HG2 ILE 102 2HG2 ILE 102 -20.722 0.498 0.654 793 1HD1 ILE 102 3HD1 ILE 102 -21.391 2.233 -0.969 794 2HD1 ILE 102 1HD1 ILE 102 -20.963 1.366 -2.463 795 3HD1 ILE 102 2HD1 ILE 102 -22.278 2.566 -2.476 796 H ASP 103 H ASP 103 -24.631 1.765 1.448 797 HA ASP 103 HA ASP 103 -26.883 2.229 -0.159 798 1HB ASP 103 1HB ASP 103 -28.029 0.598 1.185 799 2HB ASP 103 2HB ASP 103 -27.279 1.171 2.663 800 H SER 104 H SER 104 -25.862 4.323 -0.341 801 HA SER 104 HA SER 104 -26.587 6.196 1.527 802 1HB SER 104 1HB SER 104 -24.890 5.272 3.019 803 2HB SER 104 2HB SER 104 -23.677 5.317 1.754 804 HG SER 104 HG SER 104 -24.621 7.379 3.413 No H/Q in entry = 804 Start of MODEL 2 1 H ALA 1 H ALA 1 32.431 -2.320 -29.357 2 HA ALA 1 HA ALA 1 33.607 -1.616 -31.100 3 1HB ALA 1 3HB ALA 1 34.094 -3.068 -32.873 4 2HB ALA 1 2HB ALA 1 32.461 -3.777 -32.872 5 3HB ALA 1 1HB ALA 1 33.613 -4.191 -31.578 6 H GLU 2 H GLU 2 30.243 -2.671 -31.855 7 HA GLU 2 HA GLU 2 29.441 -0.110 -32.476 8 1HB GLU 2 1HB GLU 2 30.929 -1.149 -34.592 9 2HB GLU 2 2HB GLU 2 29.283 -1.506 -35.075 10 1HG GLU 2 1HG GLU 2 28.710 0.943 -34.521 11 2HG GLU 2 2HG GLU 2 30.431 1.225 -34.347 12 H GLU 3 H GLU 3 27.397 -0.312 -31.672 13 HA GLU 3 HA GLU 3 25.442 -1.708 -32.905 14 1HB GLU 3 1HB GLU 3 27.073 -3.488 -31.304 15 2HB GLU 3 2HB GLU 3 25.474 -3.395 -30.591 16 1HG GLU 3 1HG GLU 3 24.477 -3.859 -32.872 17 2HG GLU 3 2HG GLU 3 26.099 -4.055 -33.508 18 H SER 4 H SER 4 23.430 -2.027 -31.306 19 HA SER 4 HA SER 4 23.498 -0.693 -28.873 20 1HB SER 4 1HB SER 4 22.095 1.321 -29.558 21 2HB SER 4 2HB SER 4 23.779 1.383 -30.036 22 HG SER 4 HG SER 4 22.998 1.744 -31.998 23 H SER 5 H SER 5 21.036 -0.111 -28.221 24 HA SER 5 HA SER 5 18.953 -1.173 -29.627 25 1HB SER 5 1HB SER 5 18.528 -3.310 -28.357 26 2HB SER 5 2HB SER 5 19.913 -3.386 -29.429 27 HG SER 5 HG SER 5 21.179 -3.773 -27.752 28 H LYS 6 H LYS 6 17.006 -1.702 -27.973 29 HA LYS 6 HA LYS 6 17.096 -0.952 -25.346 30 1HB LYS 6 1HB LYS 6 17.406 1.341 -27.077 31 2HB LYS 6 2HB LYS 6 15.895 1.461 -26.202 32 1HG LYS 6 1HG LYS 6 17.538 0.604 -24.179 33 2HG LYS 6 2HG LYS 6 18.699 1.477 -25.158 34 1HD LYS 6 1HD LYS 6 17.951 3.360 -24.122 35 2HD LYS 6 2HD LYS 6 16.528 3.225 -25.137 36 1HE LYS 6 1HE LYS 6 15.198 2.626 -23.378 37 2HE LYS 6 2HE LYS 6 16.357 1.448 -22.795 38 1HZ LYS 6 2HZ LYS 6 17.124 4.190 -22.437 39 2HZ LYS 6 3HZ LYS 6 15.828 3.719 -21.564 40 3HZ LYS 6 1HZ LYS 6 17.247 2.929 -21.405 41 H ALA 7 H ALA 7 15.423 -2.259 -24.824 42 HA ALA 7 HA ALA 7 12.806 -1.554 -25.528 43 1HB ALA 7 1HB ALA 7 12.181 -3.250 -27.069 44 2HB ALA 7 2HB ALA 7 13.699 -2.579 -27.716 45 3HB ALA 7 3HB ALA 7 13.711 -4.131 -26.846 46 H VAL 8 H VAL 8 12.494 -1.717 -23.286 47 HA VAL 8 HA VAL 8 13.406 -3.515 -21.542 48 HB VAL 8 HB VAL 8 12.094 -1.961 -20.562 49 1HG1 VAL 8 1HG1 VAL 8 10.630 -2.061 -23.091 50 2HG1 VAL 8 2HG1 VAL 8 9.558 -1.824 -21.690 51 3HG1 VAL 8 3HG1 VAL 8 10.904 -0.698 -21.980 52 1HG2 VAL 8 2HG2 VAL 8 11.330 -4.336 -19.913 53 2HG2 VAL 8 3HG2 VAL 8 10.279 -2.970 -19.461 54 3HG2 VAL 8 1HG2 VAL 8 9.868 -3.983 -20.866 55 H LYS 9 H LYS 9 10.118 -4.040 -22.987 56 HA LYS 9 HA LYS 9 9.188 -5.873 -23.836 57 1HB LYS 9 1HB LYS 9 11.946 -6.405 -24.256 58 2HB LYS 9 2HB LYS 9 11.244 -7.876 -23.613 59 1HG LYS 9 1HG LYS 9 9.624 -6.468 -25.701 60 2HG LYS 9 2HG LYS 9 11.128 -7.175 -26.255 61 1HD LYS 9 1HD LYS 9 10.456 -9.371 -25.237 62 2HD LYS 9 2HD LYS 9 8.939 -8.659 -24.726 63 1HE LYS 9 1HE LYS 9 8.049 -9.148 -26.753 64 2HE LYS 9 2HE LYS 9 9.181 -8.040 -27.500 65 1HZ LYS 9 1HZ LYS 9 9.883 -10.810 -26.836 66 2HZ LYS 9 2HZ LYS 9 9.291 -10.366 -28.292 67 3HZ LYS 9 3HZ LYS 9 10.722 -9.772 -27.778 68 H TYR 10 H TYR 10 11.496 -6.686 -21.153 69 HA TYR 10 HA TYR 10 9.177 -7.690 -19.667 70 1HB TYR 10 1HB TYR 10 11.535 -9.222 -19.034 71 2HB TYR 10 2HB TYR 10 10.105 -9.810 -19.862 72 HD1 TYR 10 HD1 TYR 10 10.185 -10.406 -22.152 73 HD2 TYR 10 HD2 TYR 10 13.407 -8.176 -20.436 74 HE1 TYR 10 HE1 TYR 10 11.559 -10.754 -24.262 75 HE2 TYR 10 HE2 TYR 10 14.771 -8.530 -22.551 76 HH TYR 10 HH TYR 10 14.906 -9.622 -24.441 77 H TYR 11 H TYR 11 9.031 -6.436 -17.876 78 HA TYR 11 HA TYR 11 11.565 -5.721 -16.561 79 1HB TYR 11 1HB TYR 11 9.194 -4.205 -17.554 80 2HB TYR 11 2HB TYR 11 9.507 -3.879 -15.861 81 HD1 TYR 11 HD1 TYR 11 10.033 -1.534 -16.329 82 HD2 TYR 11 HD2 TYR 11 12.294 -4.697 -18.113 83 HE1 TYR 11 HE1 TYR 11 11.845 0.124 -16.987 84 HE2 TYR 11 HE2 TYR 11 14.098 -3.029 -18.765 85 HH TYR 11 HH TYR 11 14.393 -0.753 -19.136 86 H THR 12 H THR 12 11.164 -5.100 -14.166 87 HA THR 12 HA THR 12 9.304 -7.094 -13.063 88 HB THR 12 HB THR 12 10.874 -7.232 -11.209 89 HG1 THR 12 HG1 THR 12 12.575 -5.591 -11.132 90 1HG2 THR 12 1HG2 THR 12 11.738 -7.767 -13.842 91 2HG2 THR 12 2HG2 THR 12 13.040 -6.768 -13.156 92 3HG2 THR 12 3HG2 THR 12 12.563 -8.282 -12.351 93 H LEU 13 H LEU 13 7.911 -6.579 -11.348 94 HA LEU 13 HA LEU 13 6.545 -4.274 -11.506 95 1HB LEU 13 1HB LEU 13 6.897 -6.385 -9.497 96 2HB LEU 13 2HB LEU 13 6.340 -4.862 -8.833 97 HG LEU 13 HG LEU 13 5.005 -6.401 -11.078 98 1HD1 LEU 13 2HD1 LEU 13 4.987 -7.071 -8.441 99 2HD1 LEU 13 3HD1 LEU 13 3.578 -5.988 -8.531 100 3HD1 LEU 13 1HD1 LEU 13 3.669 -7.417 -9.588 101 1HD2 LEU 13 2HD2 LEU 13 4.865 -3.687 -10.619 102 2HD2 LEU 13 3HD2 LEU 13 3.649 -4.672 -11.468 103 3HD2 LEU 13 1HD2 LEU 13 3.453 -4.313 -9.735 104 H GLU 14 H GLU 14 9.586 -4.856 -9.700 105 HA GLU 14 HA GLU 14 9.542 -2.465 -8.292 106 1HB GLU 14 1HB GLU 14 11.329 -4.689 -8.686 107 2HB GLU 14 2HB GLU 14 12.258 -3.217 -8.889 108 1HG GLU 14 1HG GLU 14 12.384 -3.229 -6.605 109 2HG GLU 14 2HG GLU 14 10.768 -2.555 -6.671 110 H GLU 15 H GLU 15 11.078 -3.376 -11.449 111 HA GLU 15 HA GLU 15 12.316 -0.996 -11.936 112 1HB GLU 15 1HB GLU 15 11.305 -3.267 -13.593 113 2HB GLU 15 2HB GLU 15 11.627 -1.780 -14.464 114 1HG GLU 15 1HG GLU 15 13.651 -3.188 -14.424 115 2HG GLU 15 2HG GLU 15 13.933 -1.708 -13.529 116 H ILE 16 H ILE 16 8.893 -1.951 -12.396 117 HA ILE 16 HA ILE 16 8.230 0.425 -13.831 118 HB ILE 16 HB ILE 16 6.380 -1.499 -12.427 119 1HG1 ILE 16 1HG1 ILE 16 6.758 -1.962 -15.279 120 2HG1 ILE 16 2HG1 ILE 16 8.255 -2.172 -14.392 121 1HG2 ILE 16 3HG2 ILE 16 5.961 0.867 -13.963 122 2HG2 ILE 16 1HG2 ILE 16 5.380 -0.524 -14.907 123 3HG2 ILE 16 2HG2 ILE 16 4.759 -0.242 -13.262 124 1HD1 ILE 16 1HD1 ILE 16 5.840 -3.360 -13.099 125 2HD1 ILE 16 2HD1 ILE 16 6.355 -4.119 -14.624 126 3HD1 ILE 16 3HD1 ILE 16 7.487 -4.017 -13.254 127 H GLN 17 H GLN 17 8.350 -0.629 -10.432 128 HA GLN 17 HA GLN 17 6.752 1.424 -9.436 129 1HB GLN 17 1HB GLN 17 7.835 -0.823 -8.378 130 2HB GLN 17 2HB GLN 17 8.988 0.341 -7.757 131 1HG GLN 17 1HG GLN 17 6.278 1.372 -7.436 132 2HG GLN 17 2HG GLN 17 6.384 -0.233 -6.742 133 1HE2 GLN 17 1HE2 GLN 17 5.935 1.980 -5.197 134 2HE2 GLN 17 2HE2 GLN 17 7.289 2.299 -4.166 135 H LYS 18 H LYS 18 10.182 1.208 -10.363 136 HA LYS 18 HA LYS 18 10.978 3.573 -9.019 137 1HB LYS 18 1HB LYS 18 12.274 2.162 -11.371 138 2HB LYS 18 2HB LYS 18 13.032 3.334 -10.311 139 1HG LYS 18 1HG LYS 18 11.771 0.829 -9.150 140 2HG LYS 18 2HG LYS 18 13.377 0.760 -9.846 141 1HD LYS 18 1HD LYS 18 12.618 2.821 -7.733 142 2HD LYS 18 2HD LYS 18 13.223 1.232 -7.307 143 1HE LYS 18 1HE LYS 18 15.329 1.633 -8.474 144 2HE LYS 18 2HE LYS 18 14.721 3.112 -9.190 145 1HZ LYS 18 2HZ LYS 18 14.485 3.149 -6.376 146 2HZ LYS 18 3HZ LYS 18 16.034 2.898 -6.831 147 3HZ LYS 18 1HZ LYS 18 15.227 4.215 -7.365 148 H HIS 19 H HIS 19 9.426 2.816 -12.117 149 HA HIS 19 HA HIS 19 9.821 5.563 -12.984 150 1HB HIS 19 1HB HIS 19 8.992 3.007 -14.318 151 2HB HIS 19 2HB HIS 19 8.505 4.534 -15.030 152 HD1 HIS 19 HD1 HIS 19 10.028 4.592 -17.053 153 HD2 HIS 19 HD2 HIS 19 12.101 3.882 -13.475 154 HE1 HIS 19 HE1 HIS 19 12.512 4.705 -17.630 155 HE2 HIS 19 HE2 HIS 19 13.734 4.316 -15.382 156 H ASN 20 H ASN 20 8.469 6.755 -11.598 157 HA ASN 20 HA ASN 20 5.674 6.399 -12.206 158 1HB ASN 20 1HB ASN 20 5.862 5.155 -10.110 159 2HB ASN 20 2HB ASN 20 6.847 6.408 -9.382 160 1HD2 ASN 20 1HD2 ASN 20 4.130 7.121 -11.461 161 2HD2 ASN 20 2HD2 ASN 20 3.057 7.755 -10.258 162 H ASN 21 H ASN 21 7.859 8.319 -12.909 163 HA ASN 21 HA ASN 21 7.009 10.651 -11.394 164 1HB ASN 21 1HB ASN 21 9.473 10.062 -13.101 165 2HB ASN 21 2HB ASN 21 9.070 11.697 -12.620 166 1HD2 ASN 21 1HD2 ASN 21 10.560 8.801 -11.766 167 2HD2 ASN 21 2HD2 ASN 21 10.907 9.119 -10.098 168 H SER 22 H SER 22 6.897 12.743 -12.837 169 HA SER 22 HA SER 22 5.057 12.305 -14.855 170 1HB SER 22 1HB SER 22 5.039 14.409 -13.704 171 2HB SER 22 2HB SER 22 6.730 14.709 -14.049 172 HG SER 22 HG SER 22 4.543 14.697 -15.947 173 H LYS 23 H LYS 23 8.455 11.897 -14.829 174 HA LYS 23 HA LYS 23 8.597 12.294 -17.734 175 1HB LYS 23 1HB LYS 23 10.462 12.841 -15.520 176 2HB LYS 23 2HB LYS 23 11.193 12.001 -16.872 177 1HG LYS 23 1HG LYS 23 10.003 13.771 -18.379 178 2HG LYS 23 2HG LYS 23 9.739 14.674 -16.900 179 1HD LYS 23 1HD LYS 23 12.257 14.513 -16.459 180 2HD LYS 23 2HD LYS 23 12.431 13.826 -18.062 181 1HE LYS 23 1HE LYS 23 11.792 15.832 -19.144 182 2HE LYS 23 2HE LYS 23 10.938 16.440 -17.740 183 1HZ LYS 23 3HZ LYS 23 13.557 16.073 -16.984 184 2HZ LYS 23 1HZ LYS 23 13.611 16.819 -18.435 185 3HZ LYS 23 2HZ LYS 23 12.777 17.491 -17.203 186 H SER 24 H SER 24 8.460 9.998 -15.145 187 HA SER 24 HA SER 24 9.062 7.931 -17.090 188 1HB SER 24 1HB SER 24 10.536 8.498 -14.609 189 2HB SER 24 2HB SER 24 9.917 6.858 -14.634 190 HG SER 24 HG SER 24 11.854 6.674 -15.682 191 H THR 25 H THR 25 6.650 7.924 -17.192 192 HA THR 25 HA THR 25 5.397 6.825 -14.773 193 HB THR 25 HB THR 25 3.717 7.616 -17.098 194 HG1 THR 25 HG1 THR 25 4.290 9.915 -16.610 195 1HG2 THR 25 2HG2 THR 25 3.797 7.944 -14.115 196 2HG2 THR 25 3HG2 THR 25 3.049 9.275 -15.029 197 3HG2 THR 25 1HG2 THR 25 2.405 7.624 -15.179 198 H TRP 26 H TRP 26 5.822 4.662 -14.751 199 HA TRP 26 HA TRP 26 5.013 3.220 -17.186 200 1HB TRP 26 1HB TRP 26 7.373 2.972 -15.438 201 2HB TRP 26 2HB TRP 26 6.581 1.456 -15.820 202 HD1 TRP 26 HD1 TRP 26 7.419 0.380 -18.046 203 HE1 TRP 26 HE1 TRP 26 8.631 1.122 -20.269 204 HE3 TRP 26 HE3 TRP 26 7.476 5.352 -16.979 205 HZ2 TRP 26 HZ2 TRP 26 9.459 3.648 -21.310 206 HZ3 TRP 26 HZ3 TRP 26 8.504 6.887 -18.651 207 HH2 TRP 26 HH2 TRP 26 9.475 6.107 -20.755 208 H LEU 27 H LEU 27 3.650 1.382 -16.868 209 HA LEU 27 HA LEU 27 2.926 0.649 -14.183 210 1HB LEU 27 1HB LEU 27 0.787 1.413 -14.091 211 2HB LEU 27 2HB LEU 27 1.588 2.751 -14.892 212 HG LEU 27 HG LEU 27 -0.353 2.533 -16.118 213 1HD1 LEU 27 2HD1 LEU 27 1.942 2.113 -17.423 214 2HD1 LEU 27 3HD1 LEU 27 1.100 0.605 -17.852 215 3HD1 LEU 27 1HD1 LEU 27 0.361 2.177 -18.239 216 1HD2 LEU 27 2HD2 LEU 27 -0.657 0.117 -14.943 217 2HD2 LEU 27 3HD2 LEU 27 -1.675 0.715 -16.274 218 3HD2 LEU 27 1HD2 LEU 27 -0.317 -0.383 -16.616 219 H ILE 28 H ILE 28 1.138 -1.146 -14.331 220 HA ILE 28 HA ILE 28 1.772 -2.739 -16.716 221 HB ILE 28 HB ILE 28 0.818 -4.095 -14.276 222 1HG1 ILE 28 1HG1 ILE 28 2.314 -2.327 -13.350 223 2HG1 ILE 28 2HG1 ILE 28 2.870 -3.964 -13.063 224 1HG2 ILE 28 2HG2 ILE 28 2.871 -4.590 -16.431 225 2HG2 ILE 28 3HG2 ILE 28 2.768 -5.601 -14.968 226 3HG2 ILE 28 1HG2 ILE 28 1.376 -5.491 -16.073 227 1HD1 ILE 28 3HD1 ILE 28 3.834 -2.346 -15.454 228 2HD1 ILE 28 1HD1 ILE 28 4.642 -2.278 -13.869 229 3HD1 ILE 28 2HD1 ILE 28 4.559 -3.816 -14.760 230 H LEU 29 H LEU 29 0.101 -3.590 -17.924 231 HA LEU 29 HA LEU 29 -2.596 -3.165 -16.862 232 1HB LEU 29 1HB LEU 29 -1.447 -1.586 -18.816 233 2HB LEU 29 2HB LEU 29 -2.346 -2.768 -19.746 234 HG LEU 29 HG LEU 29 -3.340 -0.660 -17.870 235 1HD1 LEU 29 1HD1 LEU 29 -3.263 -0.374 -20.358 236 2HD1 LEU 29 2HD1 LEU 29 -4.467 -1.676 -20.488 237 3HD1 LEU 29 3HD1 LEU 29 -4.874 -0.170 -19.632 238 1HD2 LEU 29 3HD2 LEU 29 -4.592 -3.362 -18.253 239 2HD2 LEU 29 1HD2 LEU 29 -4.437 -2.376 -16.779 240 3HD2 LEU 29 2HD2 LEU 29 -5.615 -1.923 -18.033 241 H HIS 30 H HIS 30 -3.623 -5.078 -16.741 242 HA HIS 30 HA HIS 30 -4.364 -7.075 -17.301 243 1HB HIS 30 1HB HIS 30 -4.433 -6.091 -19.640 244 2HB HIS 30 2HB HIS 30 -2.888 -6.865 -19.935 245 HD1 HIS 30 HD1 HIS 30 -3.883 -9.485 -18.140 246 HD2 HIS 30 HD2 HIS 30 -5.644 -7.812 -21.560 247 HE1 HIS 30 HE1 HIS 30 -5.277 -11.338 -19.204 248 HE2 HIS 30 HE2 HIS 30 -6.378 -10.235 -21.270 249 H TYR 31 H TYR 31 -0.947 -6.596 -18.428 250 HA TYR 31 HA TYR 31 0.171 -8.187 -16.466 251 1HB TYR 31 1HB TYR 31 0.205 -10.341 -17.446 252 2HB TYR 31 2HB TYR 31 -1.301 -9.770 -18.137 253 HD1 TYR 31 HD1 TYR 31 -1.564 -9.568 -20.480 254 HD2 TYR 31 HD2 TYR 31 2.347 -10.104 -18.832 255 HE1 TYR 31 HE1 TYR 31 -0.622 -9.930 -22.815 256 HE2 TYR 31 HE2 TYR 31 3.277 -10.464 -21.172 257 HH TYR 31 HH TYR 31 2.333 -11.283 -23.374 258 H LYS 32 H LYS 32 0.164 -6.312 -19.316 259 HA LYS 32 HA LYS 32 3.045 -6.666 -19.688 260 1HB LYS 32 1HB LYS 32 1.728 -4.867 -21.557 261 2HB LYS 32 2HB LYS 32 2.704 -6.289 -21.863 262 1HG LYS 32 1HG LYS 32 0.565 -7.622 -21.055 263 2HG LYS 32 2HG LYS 32 -0.284 -6.124 -21.372 264 1HD LYS 32 1HD LYS 32 1.312 -6.445 -23.659 265 2HD LYS 32 2HD LYS 32 0.825 -8.086 -23.279 266 1HE LYS 32 1HE LYS 32 -1.447 -7.652 -23.622 267 2HE LYS 32 2HE LYS 32 -1.309 -5.965 -23.164 268 1HZ LYS 32 1HZ LYS 32 0.251 -6.237 -25.380 269 2HZ LYS 32 2HZ LYS 32 -1.079 -7.122 -25.717 270 3HZ LYS 32 3HZ LYS 32 -1.228 -5.547 -25.313 271 H VAL 33 H VAL 33 4.161 -4.439 -20.297 272 HA VAL 33 HA VAL 33 3.321 -2.541 -18.216 273 HB VAL 33 HB VAL 33 6.093 -2.974 -19.334 274 1HG1 VAL 33 2HG1 VAL 33 5.359 -0.750 -18.204 275 2HG1 VAL 33 3HG1 VAL 33 5.398 -1.693 -16.696 276 3HG1 VAL 33 1HG1 VAL 33 6.872 -1.526 -17.679 277 1HG2 VAL 33 1HG2 VAL 33 5.131 -4.991 -18.129 278 2HG2 VAL 33 2HG2 VAL 33 6.633 -4.321 -17.449 279 3HG2 VAL 33 3HG2 VAL 33 5.072 -3.980 -16.666 280 H TYR 34 H TYR 34 2.723 -0.530 -18.866 281 HA TYR 34 HA TYR 34 3.367 0.178 -21.649 282 1HB TYR 34 1HB TYR 34 1.058 1.051 -19.807 283 2HB TYR 34 2HB TYR 34 1.177 1.396 -21.520 284 HD1 TYR 34 HD1 TYR 34 -0.091 0.095 -22.959 285 HD2 TYR 34 HD2 TYR 34 1.182 -1.593 -19.240 286 HE1 TYR 34 HE1 TYR 34 -1.390 -2.030 -23.470 287 HE2 TYR 34 HE2 TYR 34 -0.121 -3.712 -19.764 288 HH TYR 34 HH TYR 34 -2.455 -3.860 -22.102 289 H ASP 35 H ASP 35 3.885 2.393 -22.109 290 HA ASP 35 HA ASP 35 5.142 3.643 -19.854 291 1HB ASP 35 1HB ASP 35 6.098 3.381 -22.271 292 2HB ASP 35 2HB ASP 35 5.025 4.694 -22.709 293 H LEU 36 H LEU 36 3.395 4.574 -18.629 294 HA LEU 36 HA LEU 36 1.199 5.856 -19.764 295 1HB LEU 36 1HB LEU 36 2.502 5.905 -17.058 296 2HB LEU 36 2HB LEU 36 1.139 6.948 -17.416 297 HG LEU 36 HG LEU 36 1.238 3.950 -17.226 298 1HD1 LEU 36 3HD1 LEU 36 0.204 6.116 -15.653 299 2HD1 LEU 36 1HD1 LEU 36 -1.137 5.065 -16.169 300 3HD1 LEU 36 2HD1 LEU 36 0.248 4.374 -15.289 301 1HD2 LEU 36 1HD2 LEU 36 -0.771 5.570 -18.800 302 2HD2 LEU 36 2HD2 LEU 36 0.191 4.171 -19.334 303 3HD2 LEU 36 3HD2 LEU 36 -1.122 3.950 -18.152 304 H THR 37 H THR 37 4.497 6.972 -18.966 305 HA THR 37 HA THR 37 4.112 9.698 -19.025 306 HB THR 37 HB THR 37 6.286 7.743 -19.263 307 HG1 THR 37 HG1 THR 37 7.258 9.784 -18.227 308 1HG2 THR 37 1HG2 THR 37 6.513 8.980 -21.525 309 2HG2 THR 37 2HG2 THR 37 6.746 10.464 -20.573 310 3HG2 THR 37 3HG2 THR 37 7.904 9.121 -20.424 311 H LYS 38 H LYS 38 4.051 7.360 -21.694 312 HA LYS 38 HA LYS 38 4.179 9.455 -23.665 313 1HB LYS 38 1HB LYS 38 4.953 6.887 -23.719 314 2HB LYS 38 2HB LYS 38 3.334 6.679 -24.354 315 1HG LYS 38 1HG LYS 38 3.835 8.538 -26.031 316 2HG LYS 38 2HG LYS 38 5.490 8.536 -25.461 317 1HD LYS 38 1HD LYS 38 5.070 5.834 -25.939 318 2HD LYS 38 2HD LYS 38 4.086 6.567 -27.190 319 1HE LYS 38 1HE LYS 38 6.431 8.092 -27.287 320 2HE LYS 38 2HE LYS 38 7.033 6.487 -26.926 321 1HZ LYS 38 1HZ LYS 38 5.668 5.691 -28.796 322 2HZ LYS 38 2HZ LYS 38 5.301 7.236 -29.174 323 3HZ LYS 38 3HZ LYS 38 6.849 6.722 -29.253 324 H PHE 39 H PHE 39 1.745 7.561 -21.892 325 HA PHE 39 HA PHE 39 -0.338 8.766 -23.551 326 1HB PHE 39 1HB PHE 39 -0.260 6.260 -23.089 327 2HB PHE 39 2HB PHE 39 -0.334 6.592 -21.370 328 HD1 PHE 39 HD1 PHE 39 -2.275 7.998 -24.237 329 HD2 PHE 39 HD2 PHE 39 -2.368 5.829 -20.590 330 HE1 PHE 39 HE1 PHE 39 -4.781 7.939 -24.336 331 HE2 PHE 39 HE2 PHE 39 -4.875 5.771 -20.689 332 HZ PHE 39 HZ PHE 39 -6.052 6.827 -22.560 333 H LEU 40 H LEU 40 1.297 10.270 -21.517 334 HA LEU 40 HA LEU 40 -0.326 10.588 -19.214 335 1HB LEU 40 1HB LEU 40 2.217 11.101 -19.723 336 2HB LEU 40 2HB LEU 40 1.586 12.678 -20.154 337 HG LEU 40 HG LEU 40 0.809 13.105 -17.964 338 1HD1 LEU 40 1HD1 LEU 40 1.109 10.140 -17.527 339 2HD1 LEU 40 2HD1 LEU 40 1.056 11.279 -16.160 340 3HD1 LEU 40 3HD1 LEU 40 -0.316 11.180 -17.288 341 1HD2 LEU 40 2HD2 LEU 40 3.523 11.793 -17.998 342 2HD2 LEU 40 3HD2 LEU 40 3.107 13.524 -18.001 343 3HD2 LEU 40 1HD2 LEU 40 2.866 12.554 -16.528 344 H GLU 41 H GLU 41 0.444 13.033 -21.788 345 HA GLU 41 HA GLU 41 -1.402 14.826 -21.270 346 1HB GLU 41 1HB GLU 41 -0.484 13.744 -23.954 347 2HB GLU 41 2HB GLU 41 -1.595 15.098 -23.866 348 1HG GLU 41 1HG GLU 41 -0.014 16.491 -22.748 349 2HG GLU 41 2HG GLU 41 0.973 15.131 -22.248 350 H GLU 42 H GLU 42 -2.080 12.096 -23.590 351 HA GLU 42 HA GLU 42 -4.714 12.569 -23.922 352 1HB GLU 42 1HB GLU 42 -3.030 10.070 -23.973 353 2HB GLU 42 2HB GLU 42 -4.767 9.899 -24.115 354 1HG GLU 42 1HG GLU 42 -4.496 10.333 -26.332 355 2HG GLU 42 2HG GLU 42 -4.234 12.003 -25.871 356 H HIS 43 H HIS 43 -6.480 10.752 -23.125 357 HA HIS 43 HA HIS 43 -7.506 9.715 -21.427 358 1HB HIS 43 1HB HIS 43 -5.109 9.449 -20.429 359 2HB HIS 43 2HB HIS 43 -5.564 10.784 -19.389 360 HD1 HIS 43 HD1 HIS 43 -7.960 10.336 -18.018 361 HD2 HIS 43 HD2 HIS 43 -5.856 7.004 -19.457 362 HE1 HIS 43 HE1 HIS 43 -8.826 8.324 -16.709 363 HE2 HIS 43 HE2 HIS 43 -7.535 6.299 -17.675 364 HA PRO 44 HA PRO 44 -9.798 13.264 -20.427 365 1HB PRO 44 1HB PRO 44 -11.989 12.054 -19.326 366 2HB PRO 44 2HB PRO 44 -11.767 12.248 -21.054 367 1HG PRO 44 1HG PRO 44 -11.475 9.809 -19.409 368 2HG PRO 44 2HG PRO 44 -11.676 9.945 -21.143 369 1HD PRO 44 1HD PRO 44 -9.240 9.387 -19.737 370 2HD PRO 44 2HD PRO 44 -9.421 9.637 -21.462 371 H GLY 45 H GLY 45 -9.780 10.794 -17.898 372 1HA GLY 45 2HA GLY 45 -9.233 10.975 -15.717 373 2HA GLY 45 1HA GLY 45 -10.328 12.342 -15.728 374 H GLY 46 H GLY 46 -7.177 12.011 -17.472 375 1HA GLY 46 2HA GLY 46 -6.053 14.083 -15.695 376 2HA GLY 46 1HA GLY 46 -6.006 14.265 -17.437 377 H GLU 47 H GLU 47 -3.613 14.247 -16.010 378 HA GLU 47 HA GLU 47 -2.395 11.946 -17.180 379 1HB GLU 47 1HB GLU 47 -1.270 14.359 -15.698 380 2HB GLU 47 2HB GLU 47 -0.263 13.078 -16.342 381 1HG GLU 47 1HG GLU 47 -0.310 14.788 -18.029 382 2HG GLU 47 2HG GLU 47 -1.334 13.498 -18.626 383 H GLU 48 H GLU 48 -2.926 13.331 -13.889 384 HA GLU 48 HA GLU 48 -1.405 11.644 -12.432 385 1HB GLU 48 1HB GLU 48 -3.356 13.566 -11.917 386 2HB GLU 48 2HB GLU 48 -4.063 12.119 -11.228 387 1HG GLU 48 1HG GLU 48 -2.509 11.997 -9.544 388 2HG GLU 48 2HG GLU 48 -1.179 12.425 -10.603 389 H VAL 49 H VAL 49 -4.829 11.115 -13.518 390 HA VAL 49 HA VAL 49 -5.440 8.795 -12.343 391 HB VAL 49 HB VAL 49 -6.837 10.071 -13.915 392 1HG1 VAL 49 1HG1 VAL 49 -4.724 9.847 -15.670 393 2HG1 VAL 49 2HG1 VAL 49 -5.895 8.678 -16.328 394 3HG1 VAL 49 3HG1 VAL 49 -6.370 10.377 -16.092 395 1HG2 VAL 49 3HG2 VAL 49 -6.558 7.124 -13.939 396 2HG2 VAL 49 1HG2 VAL 49 -7.972 8.145 -13.581 397 3HG2 VAL 49 2HG2 VAL 49 -7.522 7.808 -15.271 398 H LEU 50 H LEU 50 -2.877 9.342 -14.706 399 HA LEU 50 HA LEU 50 -2.468 6.449 -14.905 400 1HB LEU 50 1HB LEU 50 -1.180 8.644 -16.527 401 2HB LEU 50 2HB LEU 50 -1.106 6.919 -16.822 402 HG LEU 50 HG LEU 50 -3.840 7.466 -16.824 403 1HD1 LEU 50 2HD1 LEU 50 -2.873 9.937 -16.968 404 2HD1 LEU 50 3HD1 LEU 50 -2.729 9.510 -18.689 405 3HD1 LEU 50 1HD1 LEU 50 -4.312 9.426 -17.880 406 1HD2 LEU 50 1HD2 LEU 50 -2.669 5.893 -18.279 407 2HD2 LEU 50 2HD2 LEU 50 -3.699 6.998 -19.221 408 3HD2 LEU 50 3HD2 LEU 50 -1.937 7.248 -19.173 409 H ARG 51 H ARG 51 -0.914 9.570 -13.999 410 HA ARG 51 HA ARG 51 1.539 8.438 -13.379 411 1HB ARG 51 1HB ARG 51 0.673 10.976 -13.605 412 2HB ARG 51 2HB ARG 51 0.507 10.845 -11.865 413 1HG ARG 51 1HG ARG 51 3.071 9.728 -12.686 414 2HG ARG 51 2HG ARG 51 2.893 11.340 -13.349 415 1HD ARG 51 1HD ARG 51 1.965 11.736 -10.775 416 2HD ARG 51 2HD ARG 51 3.158 10.480 -10.504 417 HE ARG 51 HE ARG 51 4.529 12.228 -12.123 418 1HH1 ARG 51 2HH1 ARG 51 5.753 14.028 -11.428 419 2HH1 ARG 51 1HH1 ARG 51 5.359 14.819 -9.940 420 1HH2 ARG 51 2HH2 ARG 51 2.663 12.687 -9.176 421 2HH2 ARG 51 1HH2 ARG 51 3.589 14.051 -8.650 422 H GLU 52 H GLU 52 -1.392 9.205 -11.391 423 HA GLU 52 HA GLU 52 -0.314 8.542 -8.949 424 1HB GLU 52 1HB GLU 52 -2.875 9.244 -10.023 425 2HB GLU 52 2HB GLU 52 -3.114 7.807 -9.048 426 1HG GLU 52 1HG GLU 52 -1.464 10.125 -7.983 427 2HG GLU 52 2HG GLU 52 -3.215 10.169 -7.890 428 H GLN 53 H GLN 53 -1.202 6.536 -11.663 429 HA GLN 53 HA GLN 53 -1.333 4.199 -9.951 430 1HB GLN 53 1HB GLN 53 -2.124 3.019 -11.985 431 2HB GLN 53 2HB GLN 53 -3.113 4.421 -11.630 432 1HG GLN 53 1HG GLN 53 -1.972 5.748 -13.343 433 2HG GLN 53 2HG GLN 53 -0.785 4.486 -13.601 434 1HE2 GLN 53 1HE2 GLN 53 -4.083 5.504 -14.059 435 2HE2 GLN 53 2HE2 GLN 53 -4.546 4.335 -15.251 436 H ALA 54 H ALA 54 0.709 5.916 -12.261 437 HA ALA 54 HA ALA 54 2.329 3.860 -13.146 438 1HB ALA 54 2HB ALA 54 2.666 6.823 -12.682 439 2HB ALA 54 3HB ALA 54 4.062 5.839 -13.186 440 3HB ALA 54 1HB ALA 54 2.611 5.918 -14.214 441 H GLY 55 H GLY 55 3.952 2.640 -12.253 442 1HA GLY 55 2HA GLY 55 4.720 3.319 -9.476 443 2HA GLY 55 1HA GLY 55 5.836 2.685 -10.670 444 H GLY 56 H GLY 56 3.314 1.031 -11.706 445 1HA GLY 56 2HA GLY 56 2.914 -0.865 -9.564 446 2HA GLY 56 1HA GLY 56 3.973 -1.438 -10.836 447 H ASP 57 H ASP 57 1.652 -2.834 -10.478 448 HA ASP 57 HA ASP 57 0.492 -2.655 -12.987 449 1HB ASP 57 1HB ASP 57 0.144 -4.776 -12.197 450 2HB ASP 57 2HB ASP 57 0.176 -4.255 -10.525 451 H ALA 58 H ALA 58 -1.331 -1.493 -13.701 452 HA ALA 58 HA ALA 58 -2.799 -0.012 -11.629 453 1HB ALA 58 3HB ALA 58 -1.345 1.191 -13.424 454 2HB ALA 58 1HB ALA 58 -2.647 0.746 -14.553 455 3HB ALA 58 2HB ALA 58 -3.002 1.774 -13.145 456 H THR 59 H THR 59 -2.901 -2.457 -14.104 457 HA THR 59 HA THR 59 -5.432 -2.292 -15.114 458 HB THR 59 HB THR 59 -3.316 -4.097 -15.124 459 HG1 THR 59 HG1 THR 59 -6.133 -4.219 -15.922 460 1HG2 THR 59 1HG2 THR 59 -4.355 -5.238 -13.073 461 2HG2 THR 59 2HG2 THR 59 -5.796 -5.547 -14.072 462 3HG2 THR 59 3HG2 THR 59 -4.234 -6.275 -14.515 463 H GLU 60 H GLU 60 -4.447 -3.602 -11.900 464 HA GLU 60 HA GLU 60 -6.798 -4.655 -11.130 465 1HB GLU 60 1HB GLU 60 -4.412 -3.585 -9.823 466 2HB GLU 60 2HB GLU 60 -5.833 -3.305 -8.836 467 1HG GLU 60 1HG GLU 60 -5.806 -5.474 -8.192 468 2HG GLU 60 2HG GLU 60 -6.090 -5.964 -9.850 469 H ASN 61 H ASN 61 -5.891 -1.203 -11.352 470 HA ASN 61 HA ASN 61 -8.384 -0.452 -10.123 471 1HB ASN 61 1HB ASN 61 -5.813 0.732 -10.326 472 2HB ASN 61 2HB ASN 61 -6.824 1.726 -11.358 473 1HD2 ASN 61 1HD2 ASN 61 -9.012 2.284 -10.413 474 2HD2 ASN 61 2HD2 ASN 61 -9.061 2.788 -8.757 475 H PHE 62 H PHE 62 -6.527 0.015 -13.222 476 HA PHE 62 HA PHE 62 -8.347 1.435 -14.653 477 1HB PHE 62 1HB PHE 62 -6.442 1.044 -15.930 478 2HB PHE 62 2HB PHE 62 -6.091 -0.438 -15.065 479 HD1 PHE 62 HD1 PHE 62 -7.235 0.964 -18.127 480 HD2 PHE 62 HD2 PHE 62 -7.428 -2.535 -15.734 481 HE1 PHE 62 HE1 PHE 62 -7.922 -0.373 -20.138 482 HE2 PHE 62 HE2 PHE 62 -8.116 -3.872 -17.745 483 HZ PHE 62 HZ PHE 62 -8.354 -2.775 -19.922 484 H GLU 63 H GLU 63 -8.598 -1.883 -13.539 485 HA GLU 63 HA GLU 63 -10.524 -2.588 -15.522 486 1HB GLU 63 1HB GLU 63 -9.233 -3.934 -13.163 487 2HB GLU 63 2HB GLU 63 -10.765 -4.579 -13.721 488 1HG GLU 63 1HG GLU 63 -9.233 -4.112 -16.078 489 2HG GLU 63 2HG GLU 63 -8.120 -4.829 -14.930 490 H ASP 64 H ASP 64 -10.456 -1.471 -12.118 491 HA ASP 64 HA ASP 64 -13.106 -2.020 -11.544 492 1HB ASP 64 1HB ASP 64 -10.923 -0.935 -10.208 493 2HB ASP 64 2HB ASP 64 -11.975 0.460 -10.351 494 H VAL 65 H VAL 65 -11.475 0.508 -13.409 495 HA VAL 65 HA VAL 65 -13.796 2.246 -13.373 496 HB VAL 65 HB VAL 65 -12.176 3.739 -13.528 497 1HG1 VAL 65 2HG1 VAL 65 -10.577 2.062 -12.707 498 2HG1 VAL 65 3HG1 VAL 65 -10.264 1.537 -14.380 499 3HG1 VAL 65 1HG1 VAL 65 -9.810 3.178 -13.863 500 1HG2 VAL 65 1HG2 VAL 65 -11.823 2.541 -16.292 501 2HG2 VAL 65 2HG2 VAL 65 -12.829 3.933 -15.825 502 3HG2 VAL 65 3HG2 VAL 65 -11.054 4.056 -15.762 503 H GLY 66 H GLY 66 -13.153 -0.638 -14.783 504 1HA GLY 66 2HA GLY 66 -15.132 -0.773 -16.562 505 2HA GLY 66 1HA GLY 66 -13.611 -1.612 -16.787 506 H HIS 67 H HIS 67 -11.848 -0.505 -18.008 507 HA HIS 67 HA HIS 67 -12.501 1.874 -19.423 508 1HB HIS 67 1HB HIS 67 -10.189 -0.054 -19.422 509 2HB HIS 67 2HB HIS 67 -10.316 1.171 -20.667 510 HD1 HIS 67 HD1 HIS 67 -10.310 0.990 -16.835 511 HD2 HIS 67 HD2 HIS 67 -9.228 3.577 -19.954 512 HE1 HIS 67 HE1 HIS 67 -9.156 2.985 -15.741 513 HE2 HIS 67 HE2 HIS 67 -8.466 4.515 -17.711 514 H SER 68 H SER 68 -11.848 1.660 -22.007 515 HA SER 68 HA SER 68 -13.811 -0.260 -22.959 516 1HB SER 68 1HB SER 68 -14.312 1.219 -24.702 517 2HB SER 68 2HB SER 68 -13.938 2.324 -23.394 518 HG SER 68 HG SER 68 -12.290 3.087 -24.519 519 H THR 69 H THR 69 -13.333 -1.440 -25.005 520 HA THR 69 HA THR 69 -10.814 -2.630 -24.981 521 HB THR 69 HB THR 69 -13.198 -2.526 -26.857 522 HG1 THR 69 HG1 THR 69 -12.941 -4.873 -26.166 523 1HG2 THR 69 1HG2 THR 69 -10.453 -3.730 -27.379 524 2HG2 THR 69 2HG2 THR 69 -11.917 -4.565 -27.954 525 3HG2 THR 69 3HG2 THR 69 -11.549 -2.921 -28.527 526 H ASP 70 H ASP 70 -11.876 0.404 -26.347 527 HA ASP 70 HA ASP 70 -9.899 0.502 -28.345 528 1HB ASP 70 1HB ASP 70 -11.998 1.882 -28.333 529 2HB ASP 70 2HB ASP 70 -11.408 2.752 -26.932 530 H ALA 71 H ALA 71 -10.305 1.846 -24.996 531 HA ALA 71 HA ALA 71 -7.931 3.291 -24.900 532 1HB ALA 71 3HB ALA 71 -8.272 2.848 -22.350 533 2HB ALA 71 1HB ALA 71 -9.526 3.749 -23.237 534 3HB ALA 71 2HB ALA 71 -9.768 2.027 -22.856 535 H ARG 72 H ARG 72 -8.691 -0.140 -24.049 536 HA ARG 72 HA ARG 72 -6.195 -0.717 -23.035 537 1HB ARG 72 1HB ARG 72 -8.088 -2.615 -24.511 538 2HB ARG 72 2HB ARG 72 -6.837 -3.093 -23.383 539 1HG ARG 72 1HG ARG 72 -8.006 -1.736 -21.586 540 2HG ARG 72 2HG ARG 72 -9.294 -1.402 -22.726 541 1HD ARG 72 1HD ARG 72 -9.938 -3.309 -21.316 542 2HD ARG 72 2HD ARG 72 -9.720 -3.861 -22.965 543 HE ARG 72 HE ARG 72 -7.210 -4.208 -21.801 544 1HH1 ARG 72 2HH1 ARG 72 -6.510 -6.147 -20.817 545 2HH1 ARG 72 1HH1 ARG 72 -7.672 -7.261 -20.176 546 1HH2 ARG 72 2HH2 ARG 72 -10.469 -5.313 -21.064 547 2HH2 ARG 72 1HH2 ARG 72 -9.938 -6.782 -20.317 548 H GLU 73 H GLU 73 -7.557 -0.909 -26.374 549 HA GLU 73 HA GLU 73 -5.323 -2.166 -27.478 550 1HB GLU 73 1HB GLU 73 -7.884 -1.268 -28.347 551 2HB GLU 73 2HB GLU 73 -6.720 -0.495 -29.405 552 1HG GLU 73 1HG GLU 73 -5.733 -2.636 -30.022 553 2HG GLU 73 2HG GLU 73 -6.635 -3.479 -28.777 554 H LEU 74 H LEU 74 -6.252 1.262 -26.964 555 HA LEU 74 HA LEU 74 -4.279 2.411 -28.563 556 1HB LEU 74 1HB LEU 74 -5.325 4.246 -27.949 557 2HB LEU 74 2HB LEU 74 -6.368 3.256 -26.947 558 HG LEU 74 HG LEU 74 -4.245 3.600 -25.268 559 1HD1 LEU 74 1HD1 LEU 74 -4.305 5.937 -27.150 560 2HD1 LEU 74 2HD1 LEU 74 -3.903 6.184 -25.433 561 3HD1 LEU 74 3HD1 LEU 74 -2.917 5.087 -26.430 562 1HD2 LEU 74 1HD2 LEU 74 -6.908 4.836 -25.613 563 2HD2 LEU 74 2HD2 LEU 74 -6.188 4.010 -24.209 564 3HD2 LEU 74 3HD2 LEU 74 -5.783 5.711 -24.547 565 H SER 75 H SER 75 -4.255 1.210 -25.177 566 HA SER 75 HA SER 75 -1.777 2.269 -24.529 567 1HB SER 75 1HB SER 75 -2.199 -0.252 -23.176 568 2HB SER 75 2HB SER 75 -2.317 1.372 -22.529 569 HG SER 75 HG SER 75 -4.361 -0.325 -23.557 570 H LYS 76 H LYS 76 -2.771 -0.512 -26.461 571 HA LYS 76 HA LYS 76 -0.471 -2.069 -26.235 572 1HB LYS 76 1HB LYS 76 -1.538 -3.407 -27.685 573 2HB LYS 76 2HB LYS 76 -2.895 -2.326 -27.448 574 1HG LYS 76 1HG LYS 76 -2.070 -0.936 -29.401 575 2HG LYS 76 2HG LYS 76 -0.806 -2.121 -29.669 576 1HD LYS 76 1HD LYS 76 -3.264 -3.583 -29.463 577 2HD LYS 76 2HD LYS 76 -3.587 -2.211 -30.505 578 1HE LYS 76 1HE LYS 76 -2.697 -3.542 -32.148 579 2HE LYS 76 2HE LYS 76 -1.157 -3.005 -31.506 580 1HZ LYS 76 3HZ LYS 76 -2.316 -5.227 -30.121 581 2HZ LYS 76 1HZ LYS 76 -1.899 -5.542 -31.668 582 3HZ LYS 76 2HZ LYS 76 -0.776 -4.995 -30.614 583 H THR 77 H THR 77 -1.031 1.036 -27.707 584 HA THR 77 HA THR 77 1.256 0.769 -29.485 585 HB THR 77 HB THR 77 -1.053 1.967 -29.938 586 HG1 THR 77 HG1 THR 77 0.249 3.437 -31.263 587 1HG2 THR 77 1HG2 THR 77 -0.187 3.519 -27.730 588 2HG2 THR 77 2HG2 THR 77 0.212 4.504 -29.158 589 3HG2 THR 77 3HG2 THR 77 -1.461 3.962 -28.890 590 H PHE 78 H PHE 78 0.628 1.565 -26.207 591 HA PHE 78 HA PHE 78 3.038 3.222 -26.112 592 1HB PHE 78 1HB PHE 78 0.617 2.695 -24.307 593 2HB PHE 78 2HB PHE 78 2.036 3.502 -23.671 594 HD1 PHE 78 HD1 PHE 78 -1.072 4.247 -24.527 595 HD2 PHE 78 HD2 PHE 78 2.845 5.318 -25.760 596 HE1 PHE 78 HE1 PHE 78 -1.939 6.445 -25.378 597 HE2 PHE 78 HE2 PHE 78 1.977 7.516 -26.611 598 HZ PHE 78 HZ PHE 78 -0.406 8.052 -26.409 599 H ILE 79 H ILE 79 1.966 0.013 -25.710 600 HA ILE 79 HA ILE 79 3.223 -0.792 -23.383 601 HB ILE 79 HB ILE 79 2.307 -2.070 -25.897 602 1HG1 ILE 79 1HG1 ILE 79 1.701 -2.180 -22.969 603 2HG1 ILE 79 2HG1 ILE 79 0.619 -1.971 -24.332 604 1HG2 ILE 79 1HG2 ILE 79 4.530 -3.078 -25.580 605 2HG2 ILE 79 2HG2 ILE 79 4.077 -3.536 -23.920 606 3HG2 ILE 79 3HG2 ILE 79 3.213 -4.245 -25.307 607 1HD1 ILE 79 1HD1 ILE 79 2.098 -4.564 -23.694 608 2HD1 ILE 79 2HD1 ILE 79 0.403 -4.228 -23.264 609 3HD1 ILE 79 3HD1 ILE 79 0.884 -4.330 -24.974 610 H ILE 80 H ILE 80 5.311 -0.926 -22.748 611 HA ILE 80 HA ILE 80 7.323 -0.619 -24.863 612 HB ILE 80 HB ILE 80 8.635 -0.050 -22.565 613 1HG1 ILE 80 1HG1 ILE 80 7.068 1.571 -21.355 614 2HG1 ILE 80 2HG1 ILE 80 5.745 0.731 -22.137 615 1HG2 ILE 80 2HG2 ILE 80 8.450 1.210 -24.765 616 2HG2 ILE 80 3HG2 ILE 80 7.039 2.036 -24.060 617 3HG2 ILE 80 1HG2 ILE 80 8.638 2.192 -23.293 618 1HD1 ILE 80 2HD1 ILE 80 7.876 -0.629 -20.424 619 2HD1 ILE 80 3HD1 ILE 80 6.249 -0.180 -19.860 620 3HD1 ILE 80 1HD1 ILE 80 6.442 -1.408 -21.134 621 H GLY 81 H GLY 81 5.977 -2.713 -22.417 622 1HA GLY 81 2HA GLY 81 8.185 -4.264 -21.722 623 2HA GLY 81 1HA GLY 81 7.568 -4.902 -23.232 624 H GLU 82 H GLU 82 7.549 -6.180 -20.557 625 HA GLU 82 HA GLU 82 4.798 -6.044 -19.760 626 1HB GLU 82 1HB GLU 82 5.760 -8.811 -20.439 627 2HB GLU 82 2HB GLU 82 4.124 -8.182 -20.397 628 1HG GLU 82 1HG GLU 82 4.613 -6.827 -22.460 629 2HG GLU 82 2HG GLU 82 6.226 -7.511 -22.511 630 H LEU 83 H LEU 83 4.405 -7.513 -17.793 631 HA LEU 83 HA LEU 83 6.608 -7.183 -16.019 632 1HB LEU 83 1HB LEU 83 4.072 -6.960 -15.593 633 2HB LEU 83 2HB LEU 83 4.083 -8.705 -15.439 634 HG LEU 83 HG LEU 83 4.380 -8.226 -13.257 635 1HD1 LEU 83 1HD1 LEU 83 7.194 -7.920 -14.328 636 2HD1 LEU 83 2HD1 LEU 83 6.803 -8.081 -12.599 637 3HD1 LEU 83 3HD1 LEU 83 6.399 -9.396 -13.729 638 1HD2 LEU 83 1HD2 LEU 83 5.069 -5.567 -14.284 639 2HD2 LEU 83 2HD2 LEU 83 4.148 -6.043 -12.837 640 3HD2 LEU 83 3HD2 LEU 83 5.927 -6.004 -12.786 641 H HIS 84 H HIS 84 8.291 -8.541 -15.768 642 HA HIS 84 HA HIS 84 8.354 -11.006 -17.104 643 1HB HIS 84 1HB HIS 84 10.172 -9.267 -15.827 644 2HB HIS 84 2HB HIS 84 10.317 -10.797 -14.985 645 HD1 HIS 84 HD1 HIS 84 12.798 -10.535 -16.244 646 HD2 HIS 84 HD2 HIS 84 9.491 -11.582 -18.603 647 HE1 HIS 84 HE1 HIS 84 13.741 -11.549 -18.388 648 HE2 HIS 84 HE2 HIS 84 11.662 -12.221 -19.774 649 HA PRO 85 HA PRO 85 7.144 -13.821 -14.021 650 1HB PRO 85 1HB PRO 85 9.168 -15.617 -13.638 651 2HB PRO 85 2HB PRO 85 8.092 -15.665 -15.021 652 1HG PRO 85 1HG PRO 85 10.904 -14.762 -14.892 653 2HG PRO 85 2HG PRO 85 9.959 -15.217 -16.296 654 1HD PRO 85 1HD PRO 85 10.625 -12.553 -15.466 655 2HD PRO 85 2HD PRO 85 9.587 -13.005 -16.802 656 H ASP 86 H ASP 86 8.988 -11.448 -13.175 657 HA ASP 86 HA ASP 86 9.927 -12.406 -10.683 658 1HB ASP 86 1HB ASP 86 11.199 -10.564 -11.114 659 2HB ASP 86 2HB ASP 86 10.042 -9.947 -12.275 660 H ASP 87 H ASP 87 6.989 -10.934 -12.015 661 HA ASP 87 HA ASP 87 5.496 -11.523 -9.771 662 1HB ASP 87 1HB ASP 87 6.578 -8.715 -9.957 663 2HB ASP 87 2HB ASP 87 4.921 -8.909 -9.421 664 H ARG 88 H ARG 88 5.102 -12.112 -12.406 665 HA ARG 88 HA ARG 88 3.451 -10.040 -13.539 666 1HB ARG 88 1HB ARG 88 3.416 -11.530 -15.559 667 2HB ARG 88 2HB ARG 88 5.049 -11.148 -15.048 668 1HG ARG 88 1HG ARG 88 4.943 -13.366 -13.673 669 2HG ARG 88 2HG ARG 88 3.520 -13.744 -14.623 670 1HD ARG 88 1HD ARG 88 4.873 -13.433 -16.730 671 2HD ARG 88 2HD ARG 88 6.295 -13.129 -15.751 672 HE ARG 88 HE ARG 88 5.351 -15.559 -14.786 673 1HH1 ARG 88 2HH1 ARG 88 6.004 -17.606 -15.563 674 2HH1 ARG 88 1HH1 ARG 88 6.597 -17.768 -17.182 675 1HH2 ARG 88 2HH2 ARG 88 6.237 -14.354 -17.971 676 2HH2 ARG 88 1HH2 ARG 88 6.732 -15.906 -18.559 677 H SER 89 H SER 89 3.294 -13.582 -12.719 678 HA SER 89 HA SER 89 0.508 -13.669 -13.149 679 1HB SER 89 1HB SER 89 0.690 -15.965 -12.201 680 2HB SER 89 2HB SER 89 1.890 -15.669 -13.444 681 HG SER 89 HG SER 89 2.847 -14.949 -10.943 682 H LYS 90 H LYS 90 2.202 -12.035 -10.857 683 HA LYS 90 HA LYS 90 0.441 -12.785 -8.646 684 1HB LYS 90 1HB LYS 90 3.206 -12.041 -8.837 685 2HB LYS 90 2HB LYS 90 2.374 -10.842 -7.867 686 1HG LYS 90 1HG LYS 90 1.851 -13.788 -7.376 687 2HG LYS 90 2HG LYS 90 3.300 -13.046 -6.728 688 1HD LYS 90 1HD LYS 90 2.128 -11.730 -5.215 689 2HD LYS 90 2HD LYS 90 0.744 -11.545 -6.274 690 1HE LYS 90 1HE LYS 90 -0.331 -13.177 -5.124 691 2HE LYS 90 2HE LYS 90 0.877 -14.330 -5.654 692 1HZ LYS 90 2HZ LYS 90 2.043 -12.882 -3.644 693 2HZ LYS 90 3HZ LYS 90 0.534 -13.208 -3.112 694 3HZ LYS 90 1HZ LYS 90 1.520 -14.428 -3.567 695 H ILE 91 H ILE 91 0.445 -10.778 -11.298 696 HA ILE 91 HA ILE 91 -1.355 -8.940 -9.932 697 HB ILE 91 HB ILE 91 -0.334 -7.004 -10.632 698 1HG1 ILE 91 1HG1 ILE 91 1.140 -8.692 -12.655 699 2HG1 ILE 91 2HG1 ILE 91 0.004 -7.389 -12.943 700 1HG2 ILE 91 3HG2 ILE 91 0.977 -8.457 -8.913 701 2HG2 ILE 91 1HG2 ILE 91 2.183 -8.587 -10.216 702 3HG2 ILE 91 2HG2 ILE 91 1.725 -6.988 -9.583 703 1HD1 ILE 91 2HD1 ILE 91 1.703 -5.868 -11.676 704 2HD1 ILE 91 3HD1 ILE 91 2.856 -7.202 -11.920 705 3HD1 ILE 91 1HD1 ILE 91 2.123 -6.390 -13.324 706 H THR 92 H THR 92 0.048 -10.235 -12.991 707 HA THR 92 HA THR 92 -1.494 -9.321 -14.921 708 HB THR 92 HB THR 92 0.196 -11.278 -14.911 709 HG1 THR 92 HG1 THR 92 -1.027 -12.164 -16.793 710 1HG2 THR 92 3HG2 THR 92 -1.208 -12.708 -13.282 711 2HG2 THR 92 1HG2 THR 92 -2.369 -12.915 -14.614 712 3HG2 THR 92 2HG2 THR 92 -0.706 -13.528 -14.779 713 H LYS 93 H LYS 93 -2.676 -11.688 -12.464 714 HA LYS 93 HA LYS 93 -5.361 -10.741 -13.073 715 1HB LYS 93 1HB LYS 93 -5.041 -12.738 -14.472 716 2HB LYS 93 2HB LYS 93 -4.584 -13.672 -13.063 717 1HG LYS 93 1HG LYS 93 -6.755 -13.757 -12.227 718 2HG LYS 93 2HG LYS 93 -7.191 -12.193 -12.887 719 1HD LYS 93 1HD LYS 93 -7.067 -13.294 -15.224 720 2HD LYS 93 2HD LYS 93 -6.960 -14.834 -14.394 721 1HE LYS 93 1HE LYS 93 -9.119 -13.753 -13.091 722 2HE LYS 93 2HE LYS 93 -9.293 -12.973 -14.650 723 1HZ LYS 93 2HZ LYS 93 -9.105 -15.195 -15.651 724 2HZ LYS 93 3HZ LYS 93 -9.112 -15.863 -14.161 725 3HZ LYS 93 1HZ LYS 93 -10.417 -15.037 -14.691 726 HA PRO 94 HA PRO 94 -5.090 -10.723 -8.712 727 1HB PRO 94 1HB PRO 94 -7.352 -9.264 -8.243 728 2HB PRO 94 2HB PRO 94 -5.794 -8.535 -8.577 729 1HG PRO 94 1HG PRO 94 -8.143 -8.786 -10.354 730 2HG PRO 94 2HG PRO 94 -6.764 -7.715 -10.503 731 1HD PRO 94 1HD PRO 94 -7.241 -10.114 -11.999 732 2HD PRO 94 2HD PRO 94 -5.810 -9.107 -12.064 733 H SER 95 H SER 95 -6.543 -11.249 -6.771 734 HA SER 95 HA SER 95 -8.826 -12.721 -7.275 735 1HB SER 95 1HB SER 95 -8.173 -14.975 -7.217 736 2HB SER 95 2HB SER 95 -6.949 -14.257 -8.246 737 HG SER 95 HG SER 95 -5.756 -13.969 -6.039 738 H GLU 96 H GLU 96 -9.931 -12.605 -5.348 739 HA GLU 96 HA GLU 96 -8.910 -13.372 -2.933 740 1HB GLU 96 1HB GLU 96 -7.719 -10.969 -3.580 741 2HB GLU 96 2HB GLU 96 -9.111 -10.414 -2.671 742 1HG GLU 96 1HG GLU 96 -8.131 -11.024 -0.721 743 2HG GLU 96 2HG GLU 96 -7.984 -12.680 -1.275 744 H SER 97 H SER 97 -10.545 -13.299 -1.282 745 HA SER 97 HA SER 97 -12.830 -11.688 -1.645 746 1HB SER 97 1HB SER 97 -14.477 -13.381 -2.133 747 2HB SER 97 2HB SER 97 -13.226 -13.509 -3.354 748 HG SER 97 HG SER 97 -13.586 -15.196 -1.030 749 H ILE 98 H ILE 98 -14.181 -11.724 0.266 750 HA ILE 98 HA ILE 98 -13.839 -13.706 2.257 751 HB ILE 98 HB ILE 98 -11.682 -12.357 2.365 752 1HG1 ILE 98 1HG1 ILE 98 -12.423 -13.883 4.125 753 2HG1 ILE 98 2HG1 ILE 98 -11.612 -12.482 4.793 754 1HG2 ILE 98 1HG2 ILE 98 -13.384 -10.186 2.354 755 2HG2 ILE 98 2HG2 ILE 98 -12.915 -10.324 4.066 756 3HG2 ILE 98 3HG2 ILE 98 -11.663 -10.172 2.810 757 1HD1 ILE 98 1HD1 ILE 98 -14.259 -11.628 4.709 758 2HD1 ILE 98 2HD1 ILE 98 -14.415 -13.355 5.112 759 3HD1 ILE 98 3HD1 ILE 98 -13.434 -12.286 6.143 760 H ILE 99 H ILE 99 -15.605 -13.688 3.612 761 HA ILE 99 HA ILE 99 -17.210 -11.242 3.620 762 HB ILE 99 HB ILE 99 -17.963 -12.982 1.903 763 1HG1 ILE 99 1HG1 ILE 99 -20.428 -12.708 3.108 764 2HG1 ILE 99 2HG1 ILE 99 -19.511 -11.413 3.852 765 1HG2 ILE 99 1HG2 ILE 99 -17.632 -14.934 3.431 766 2HG2 ILE 99 2HG2 ILE 99 -19.036 -14.372 4.369 767 3HG2 ILE 99 3HG2 ILE 99 -19.238 -14.856 2.669 768 1HD1 ILE 99 1HD1 ILE 99 -19.172 -11.745 0.891 769 2HD1 ILE 99 2HD1 ILE 99 -20.743 -11.131 1.460 770 3HD1 ILE 99 3HD1 ILE 99 -19.246 -10.258 1.867 771 H THR 100 H THR 100 -17.849 -10.654 5.638 772 HA THR 100 HA THR 100 -17.663 -12.729 7.724 773 HB THR 100 HB THR 100 -15.739 -11.092 7.744 774 HG1 THR 100 HG1 THR 100 -17.789 -10.689 9.805 775 1HG2 THR 100 1HG2 THR 100 -17.905 -9.177 7.379 776 2HG2 THR 100 2HG2 THR 100 -17.093 -8.866 8.931 777 3HG2 THR 100 3HG2 THR 100 -16.152 -8.869 7.421 778 H THR 101 H THR 101 -19.006 -12.270 9.671 779 HA THR 101 HA THR 101 -21.264 -10.506 9.164 780 HB THR 101 HB THR 101 -21.520 -13.534 9.571 781 HG1 THR 101 HG1 THR 101 -22.148 -11.616 7.438 782 1HG2 THR 101 2HG2 THR 101 -23.380 -11.353 10.068 783 2HG2 THR 101 3HG2 THR 101 -23.918 -12.264 8.636 784 3HG2 THR 101 1HG2 THR 101 -23.677 -13.105 10.187 785 H ILE 102 H ILE 102 -21.881 -9.470 10.966 786 HA ILE 102 HA ILE 102 -21.391 -10.767 13.519 787 HB ILE 102 HB ILE 102 -19.399 -9.289 12.691 788 1HG1 ILE 102 1HG1 ILE 102 -19.767 -8.406 15.377 789 2HG1 ILE 102 2HG1 ILE 102 -20.477 -10.003 15.248 790 1HG2 ILE 102 3HG2 ILE 102 -20.931 -7.350 12.176 791 2HG2 ILE 102 1HG2 ILE 102 -21.126 -7.141 13.932 792 3HG2 ILE 102 2HG2 ILE 102 -19.517 -6.973 13.191 793 1HD1 ILE 102 1HD1 ILE 102 -18.279 -10.647 13.967 794 2HD1 ILE 102 2HD1 ILE 102 -17.621 -9.157 14.687 795 3HD1 ILE 102 3HD1 ILE 102 -18.213 -10.466 15.737 796 H ASP 103 H ASP 103 -22.343 -9.237 15.334 797 HA ASP 103 HA ASP 103 -24.043 -8.173 16.163 798 1HB ASP 103 1HB ASP 103 -23.485 -6.629 13.994 799 2HB ASP 103 2HB ASP 103 -25.092 -7.155 13.536 800 H SER 104 H SER 104 -26.174 -8.890 16.675 801 HA SER 104 HA SER 104 -27.608 -10.280 14.578 802 1HB SER 104 1HB SER 104 -28.185 -12.078 16.352 803 2HB SER 104 2HB SER 104 -26.603 -12.158 15.601 804 HG SER 104 HG SER 104 -26.680 -10.552 17.905 No H/Q in entry = 804 Start of MODEL 3 1 H ALA 1 H ALA 1 24.466 8.550 -35.022 2 HA ALA 1 HA ALA 1 26.151 8.450 -36.477 3 1HB ALA 1 2HB ALA 1 28.077 8.404 -35.290 4 2HB ALA 1 3HB ALA 1 27.042 8.034 -33.890 5 3HB ALA 1 1HB ALA 1 27.831 6.715 -34.788 6 H GLU 2 H GLU 2 25.662 5.192 -34.961 7 HA GLU 2 HA GLU 2 26.091 4.099 -37.632 8 1HB GLU 2 1HB GLU 2 27.626 3.526 -35.473 9 2HB GLU 2 2HB GLU 2 26.365 2.337 -35.218 10 1HG GLU 2 1HG GLU 2 26.747 1.861 -37.835 11 2HG GLU 2 2HG GLU 2 28.316 2.577 -37.513 12 H GLU 3 H GLU 3 24.511 3.216 -34.468 13 HA GLU 3 HA GLU 3 21.980 3.097 -35.683 14 1HB GLU 3 1HB GLU 3 23.458 0.821 -36.183 15 2HB GLU 3 2HB GLU 3 22.637 0.368 -34.704 16 1HG GLU 3 1HG GLU 3 20.455 0.770 -35.674 17 2HG GLU 3 2HG GLU 3 21.143 1.594 -37.059 18 H SER 4 H SER 4 20.321 2.098 -34.028 19 HA SER 4 HA SER 4 21.234 1.887 -31.368 20 1HB SER 4 1HB SER 4 20.091 3.870 -30.446 21 2HB SER 4 2HB SER 4 21.343 4.345 -31.577 22 HG SER 4 HG SER 4 18.529 4.584 -31.782 23 H SER 5 H SER 5 19.435 1.279 -29.895 24 HA SER 5 HA SER 5 16.805 1.254 -30.666 25 1HB SER 5 1HB SER 5 18.380 -0.876 -31.903 26 2HB SER 5 2HB SER 5 17.145 -1.555 -30.860 27 HG SER 5 HG SER 5 15.537 -0.686 -32.094 28 H LYS 6 H LYS 6 15.451 0.106 -29.051 29 HA LYS 6 HA LYS 6 16.532 -1.514 -27.061 30 1HB LYS 6 1HB LYS 6 17.410 1.080 -26.709 31 2HB LYS 6 2HB LYS 6 15.992 1.025 -25.681 32 1HG LYS 6 1HG LYS 6 17.079 -1.360 -24.983 33 2HG LYS 6 2HG LYS 6 18.549 -0.546 -25.481 34 1HD LYS 6 1HD LYS 6 18.482 0.962 -23.729 35 2HD LYS 6 2HD LYS 6 16.733 1.068 -23.739 36 1HE LYS 6 1HE LYS 6 16.749 -1.367 -22.807 37 2HE LYS 6 2HE LYS 6 18.457 -1.116 -22.505 38 1HZ LYS 6 2HZ LYS 6 17.254 1.103 -21.516 39 2HZ LYS 6 3HZ LYS 6 16.238 -0.102 -21.088 40 3HZ LYS 6 1HZ LYS 6 17.807 -0.161 -20.642 41 H ALA 7 H ALA 7 14.880 -2.330 -25.710 42 HA ALA 7 HA ALA 7 12.358 -1.034 -25.548 43 1HB ALA 7 1HB ALA 7 12.181 -3.635 -27.034 44 2HB ALA 7 2HB ALA 7 11.082 -2.235 -27.051 45 3HB ALA 7 3HB ALA 7 12.616 -2.173 -27.951 46 H VAL 8 H VAL 8 12.064 -1.421 -23.404 47 HA VAL 8 HA VAL 8 13.207 -3.238 -21.834 48 HB VAL 8 HB VAL 8 11.930 -1.824 -20.640 49 1HG1 VAL 8 2HG1 VAL 8 10.233 -1.834 -23.042 50 2HG1 VAL 8 3HG1 VAL 8 9.332 -1.614 -21.522 51 3HG1 VAL 8 1HG1 VAL 8 10.658 -0.503 -21.939 52 1HG2 VAL 8 3HG2 VAL 8 11.269 -4.229 -20.064 53 2HG2 VAL 8 1HG2 VAL 8 10.184 -2.936 -19.502 54 3HG2 VAL 8 2HG2 VAL 8 9.750 -3.901 -20.933 55 H LYS 9 H LYS 9 9.892 -3.838 -23.212 56 HA LYS 9 HA LYS 9 8.998 -5.690 -24.054 57 1HB LYS 9 1HB LYS 9 11.653 -6.060 -24.693 58 2HB LYS 9 2HB LYS 9 11.294 -7.511 -23.777 59 1HG LYS 9 1HG LYS 9 9.335 -7.979 -25.224 60 2HG LYS 9 2HG LYS 9 9.598 -6.486 -26.104 61 1HD LYS 9 1HD LYS 9 11.821 -7.309 -26.868 62 2HD LYS 9 2HD LYS 9 11.608 -8.784 -25.948 63 1HE LYS 9 1HE LYS 9 10.103 -9.682 -27.460 64 2HE LYS 9 2HE LYS 9 9.377 -8.130 -27.828 65 1HZ LYS 9 3HZ LYS 9 12.056 -8.209 -28.685 66 2HZ LYS 9 1HZ LYS 9 11.221 -9.456 -29.327 67 3HZ LYS 9 2HZ LYS 9 10.705 -7.924 -29.556 68 H TYR 10 H TYR 10 11.364 -6.541 -21.430 69 HA TYR 10 HA TYR 10 9.078 -7.556 -19.903 70 1HB TYR 10 1HB TYR 10 11.435 -9.126 -19.373 71 2HB TYR 10 2HB TYR 10 9.976 -9.682 -20.168 72 HD1 TYR 10 HD1 TYR 10 13.325 -8.190 -20.762 73 HD2 TYR 10 HD2 TYR 10 9.928 -10.108 -22.518 74 HE1 TYR 10 HE1 TYR 10 14.618 -8.516 -22.928 75 HE2 TYR 10 HE2 TYR 10 11.233 -10.428 -24.677 76 HH TYR 10 HH TYR 10 14.504 -9.108 -25.018 77 H TYR 11 H TYR 11 8.997 -6.402 -18.045 78 HA TYR 11 HA TYR 11 11.574 -5.727 -16.798 79 1HB TYR 11 1HB TYR 11 9.223 -4.149 -17.712 80 2HB TYR 11 2HB TYR 11 9.537 -3.883 -16.007 81 HD1 TYR 11 HD1 TYR 11 10.118 -1.541 -16.347 82 HD2 TYR 11 HD2 TYR 11 12.290 -4.646 -18.335 83 HE1 TYR 11 HE1 TYR 11 11.952 0.116 -16.948 84 HE2 TYR 11 HE2 TYR 11 14.116 -2.979 -18.928 85 HH TYR 11 HH TYR 11 14.131 0.233 -17.583 86 H THR 12 H THR 12 11.185 -5.095 -14.374 87 HA THR 12 HA THR 12 9.373 -7.132 -13.271 88 HB THR 12 HB THR 12 10.968 -7.282 -11.448 89 HG1 THR 12 HG1 THR 12 12.303 -5.045 -12.784 90 1HG2 THR 12 2HG2 THR 12 12.544 -6.778 -14.028 91 2HG2 THR 12 3HG2 THR 12 13.181 -7.587 -12.577 92 3HG2 THR 12 1HG2 THR 12 11.876 -8.347 -13.518 93 H LEU 13 H LEU 13 7.999 -6.654 -11.527 94 HA LEU 13 HA LEU 13 6.605 -4.357 -11.646 95 1HB LEU 13 1HB LEU 13 7.023 -6.459 -9.617 96 2HB LEU 13 2HB LEU 13 6.348 -4.960 -9.013 97 HG LEU 13 HG LEU 13 5.198 -6.718 -11.196 98 1HD1 LEU 13 1HD1 LEU 13 5.037 -7.252 -8.618 99 2HD1 LEU 13 2HD1 LEU 13 3.762 -6.012 -8.669 100 3HD1 LEU 13 3HD1 LEU 13 3.636 -7.460 -9.695 101 1HD2 LEU 13 3HD2 LEU 13 4.379 -3.974 -10.242 102 2HD2 LEU 13 1HD2 LEU 13 4.666 -4.545 -11.904 103 3HD2 LEU 13 2HD2 LEU 13 3.229 -5.095 -11.009 104 H GLU 14 H GLU 14 9.666 -4.942 -9.884 105 HA GLU 14 HA GLU 14 9.616 -2.592 -8.417 106 1HB GLU 14 1HB GLU 14 11.433 -4.773 -8.911 107 2HB GLU 14 2HB GLU 14 12.330 -3.277 -9.075 108 1HG GLU 14 1HG GLU 14 12.487 -3.349 -6.797 109 2HG GLU 14 2HG GLU 14 10.846 -2.735 -6.814 110 H GLU 15 H GLU 15 11.125 -3.389 -11.619 111 HA GLU 15 HA GLU 15 12.308 -0.974 -12.058 112 1HB GLU 15 1HB GLU 15 11.324 -3.224 -13.758 113 2HB GLU 15 2HB GLU 15 11.595 -1.708 -14.597 114 1HG GLU 15 1HG GLU 15 13.877 -1.805 -13.087 115 2HG GLU 15 2HG GLU 15 13.572 -3.522 -13.266 116 H ILE 16 H ILE 16 8.903 -2.000 -12.566 117 HA ILE 16 HA ILE 16 8.184 0.419 -13.892 118 HB ILE 16 HB ILE 16 6.383 -1.610 -12.574 119 1HG1 ILE 16 1HG1 ILE 16 6.758 -1.943 -15.440 120 2HG1 ILE 16 2HG1 ILE 16 8.270 -2.139 -14.577 121 1HG2 ILE 16 3HG2 ILE 16 5.895 0.813 -13.989 122 2HG2 ILE 16 1HG2 ILE 16 5.366 -0.542 -15.013 123 3HG2 ILE 16 2HG2 ILE 16 4.725 -0.371 -13.363 124 1HD1 ILE 16 2HD1 ILE 16 5.960 -3.457 -13.255 125 2HD1 ILE 16 3HD1 ILE 16 6.366 -4.114 -14.859 126 3HD1 ILE 16 1HD1 ILE 16 7.596 -4.080 -13.573 127 H GLN 17 H GLN 17 8.383 -0.746 -10.544 128 HA GLN 17 HA GLN 17 6.714 1.220 -9.466 129 1HB GLN 17 1HB GLN 17 7.858 -1.046 -8.501 130 2HB GLN 17 2HB GLN 17 8.969 0.127 -7.821 131 1HG GLN 17 1HG GLN 17 6.382 1.220 -7.384 132 2HG GLN 17 2HG GLN 17 6.220 -0.487 -7.025 133 1HE2 GLN 17 1HE2 GLN 17 5.908 1.316 -5.050 134 2HE2 GLN 17 2HE2 GLN 17 7.223 1.271 -3.922 135 H LYS 18 H LYS 18 10.143 1.117 -10.408 136 HA LYS 18 HA LYS 18 10.901 3.432 -8.964 137 1HB LYS 18 1HB LYS 18 12.201 2.149 -11.385 138 2HB LYS 18 2HB LYS 18 12.945 3.304 -10.297 139 1HG LYS 18 1HG LYS 18 11.752 0.764 -9.158 140 2HG LYS 18 2HG LYS 18 13.314 0.692 -9.946 141 1HD LYS 18 1HD LYS 18 12.682 2.694 -7.733 142 2HD LYS 18 2HD LYS 18 13.347 1.105 -7.407 143 1HE LYS 18 1HE LYS 18 15.400 1.590 -8.503 144 2HE LYS 18 2HE LYS 18 14.709 2.906 -9.431 145 1HZ LYS 18 2HZ LYS 18 14.516 3.304 -6.621 146 2HZ LYS 18 3HZ LYS 18 16.060 3.176 -7.135 147 3HZ LYS 18 1HZ LYS 18 15.078 4.312 -7.776 148 H HIS 19 H HIS 19 9.326 2.794 -12.074 149 HA HIS 19 HA HIS 19 9.665 5.583 -12.820 150 1HB HIS 19 1HB HIS 19 8.966 3.059 -14.246 151 2HB HIS 19 2HB HIS 19 8.266 4.541 -14.862 152 HD1 HIS 19 HD1 HIS 19 9.634 5.422 -16.744 153 HD2 HIS 19 HD2 HIS 19 12.015 3.697 -13.751 154 HE1 HIS 19 HE1 HIS 19 12.053 5.695 -17.509 155 HE2 HIS 19 HE2 HIS 19 13.471 4.666 -15.605 156 H ASN 20 H ASN 20 8.302 6.767 -11.479 157 HA ASN 20 HA ASN 20 5.496 6.260 -11.955 158 1HB ASN 20 1HB ASN 20 5.857 5.174 -9.792 159 2HB ASN 20 2HB ASN 20 6.809 6.523 -9.205 160 1HD2 ASN 20 1HD2 ASN 20 3.921 6.871 -11.163 161 2HD2 ASN 20 2HD2 ASN 20 2.889 7.561 -9.955 162 H ASN 21 H ASN 21 7.684 8.234 -12.771 163 HA ASN 21 HA ASN 21 6.680 10.618 -11.448 164 1HB ASN 21 1HB ASN 21 9.207 10.004 -13.042 165 2HB ASN 21 2HB ASN 21 8.713 11.662 -12.757 166 1HD2 ASN 21 1HD2 ASN 21 9.842 8.691 -11.345 167 2HD2 ASN 21 2HD2 ASN 21 10.287 9.301 -9.787 168 H SER 22 H SER 22 6.282 12.555 -12.939 169 HA SER 22 HA SER 22 4.598 11.867 -14.998 170 1HB SER 22 1HB SER 22 5.975 14.429 -14.167 171 2HB SER 22 2HB SER 22 5.040 14.400 -15.649 172 HG SER 22 HG SER 22 3.189 14.272 -14.538 173 H LYS 23 H LYS 23 8.037 11.872 -14.869 174 HA LYS 23 HA LYS 23 8.234 12.174 -17.777 175 1HB LYS 23 1HB LYS 23 10.475 12.784 -17.497 176 2HB LYS 23 2HB LYS 23 9.640 13.604 -16.194 177 1HG LYS 23 1HG LYS 23 10.274 11.752 -14.628 178 2HG LYS 23 2HG LYS 23 11.118 10.941 -15.933 179 1HD LYS 23 1HD LYS 23 12.428 13.221 -16.181 180 2HD LYS 23 2HD LYS 23 11.829 13.558 -14.570 181 1HE LYS 23 1HE LYS 23 12.751 11.105 -14.042 182 2HE LYS 23 2HE LYS 23 13.734 11.387 -15.465 183 1HZ LYS 23 3HZ LYS 23 13.710 13.614 -13.708 184 2HZ LYS 23 1HZ LYS 23 14.282 12.266 -12.983 185 3HZ LYS 23 2HZ LYS 23 14.981 12.815 -14.354 186 H SER 24 H SER 24 8.320 9.916 -15.102 187 HA SER 24 HA SER 24 9.029 7.861 -17.034 188 1HB SER 24 1HB SER 24 9.972 6.794 -14.673 189 2HB SER 24 2HB SER 24 10.970 7.567 -15.889 190 HG SER 24 HG SER 24 10.388 8.401 -13.325 191 H THR 25 H THR 25 6.479 8.118 -16.933 192 HA THR 25 HA THR 25 5.344 6.800 -14.596 193 HB THR 25 HB THR 25 3.616 7.540 -16.906 194 HG1 THR 25 HG1 THR 25 4.096 9.873 -16.286 195 1HG2 THR 25 1HG2 THR 25 3.696 7.831 -13.919 196 2HG2 THR 25 2HG2 THR 25 2.908 9.157 -14.808 197 3HG2 THR 25 3HG2 THR 25 2.311 7.490 -14.985 198 H TRP 26 H TRP 26 5.706 4.649 -14.540 199 HA TRP 26 HA TRP 26 5.017 3.189 -17.000 200 1HB TRP 26 1HB TRP 26 7.166 2.666 -14.955 201 2HB TRP 26 2HB TRP 26 6.560 1.405 -16.010 202 HD1 TRP 26 HD1 TRP 26 7.343 5.073 -17.089 203 HE1 TRP 26 HE1 TRP 26 9.149 5.109 -19.012 204 HE3 TRP 26 HE3 TRP 26 8.220 0.065 -17.077 205 HZ2 TRP 26 HZ2 TRP 26 10.707 3.084 -20.283 206 HZ3 TRP 26 HZ3 TRP 26 9.898 -0.825 -18.690 207 HH2 TRP 26 HH2 TRP 26 11.123 0.597 -20.256 208 H LEU 27 H LEU 27 3.619 1.389 -16.736 209 HA LEU 27 HA LEU 27 2.864 0.596 -14.076 210 1HB LEU 27 1HB LEU 27 0.735 1.377 -13.986 211 2HB LEU 27 2HB LEU 27 1.541 2.722 -14.768 212 HG LEU 27 HG LEU 27 -0.414 2.506 -15.988 213 1HD1 LEU 27 2HD1 LEU 27 1.912 2.122 -17.290 214 2HD1 LEU 27 3HD1 LEU 27 1.038 0.655 -17.792 215 3HD1 LEU 27 1HD1 LEU 27 0.336 2.261 -18.103 216 1HD2 LEU 27 3HD2 LEU 27 -0.665 0.044 -14.885 217 2HD2 LEU 27 1HD2 LEU 27 -1.706 0.674 -16.183 218 3HD2 LEU 27 2HD2 LEU 27 -0.333 -0.388 -16.579 219 H ILE 28 H ILE 28 1.160 -1.229 -14.240 220 HA ILE 28 HA ILE 28 1.757 -2.741 -16.686 221 HB ILE 28 HB ILE 28 0.880 -4.166 -14.252 222 1HG1 ILE 28 1HG1 ILE 28 2.393 -2.425 -13.326 223 2HG1 ILE 28 2HG1 ILE 28 2.989 -4.061 -13.120 224 1HG2 ILE 28 3HG2 ILE 28 1.424 -5.351 -16.311 225 2HG2 ILE 28 1HG2 ILE 28 3.058 -4.648 -16.303 226 3HG2 ILE 28 2HG2 ILE 28 2.567 -5.773 -15.015 227 1HD1 ILE 28 2HD1 ILE 28 3.825 -2.307 -15.468 228 2HD1 ILE 28 3HD1 ILE 28 4.713 -2.348 -13.926 229 3HD1 ILE 28 1HD1 ILE 28 4.581 -3.821 -14.916 230 H LEU 29 H LEU 29 0.076 -3.585 -17.883 231 HA LEU 29 HA LEU 29 -2.605 -3.229 -16.753 232 1HB LEU 29 1HB LEU 29 -1.525 -1.583 -18.686 233 2HB LEU 29 2HB LEU 29 -2.417 -2.756 -19.632 234 HG LEU 29 HG LEU 29 -3.416 -0.712 -17.691 235 1HD1 LEU 29 3HD1 LEU 29 -3.399 -0.381 -20.177 236 2HD1 LEU 29 1HD1 LEU 29 -4.582 -1.705 -20.302 237 3HD1 LEU 29 2HD1 LEU 29 -4.998 -0.221 -19.411 238 1HD2 LEU 29 2HD2 LEU 29 -4.526 -3.460 -17.993 239 2HD2 LEU 29 3HD2 LEU 29 -4.540 -2.356 -16.596 240 3HD2 LEU 29 1HD2 LEU 29 -5.673 -2.100 -17.943 241 H HIS 30 H HIS 30 -3.620 -5.155 -16.674 242 HA HIS 30 HA HIS 30 -4.328 -7.154 -17.254 243 1HB HIS 30 1HB HIS 30 -2.941 -7.036 -19.922 244 2HB HIS 30 2HB HIS 30 -4.428 -7.853 -19.486 245 HD1 HIS 30 HD1 HIS 30 -3.328 -5.007 -21.307 246 HD2 HIS 30 HD2 HIS 30 -6.490 -5.709 -18.643 247 HE1 HIS 30 HE1 HIS 30 -5.047 -3.171 -21.739 248 HE2 HIS 30 HE2 HIS 30 -6.991 -3.687 -20.112 249 H TYR 31 H TYR 31 -1.001 -6.700 -18.661 250 HA TYR 31 HA TYR 31 0.242 -8.279 -16.726 251 1HB TYR 31 1HB TYR 31 0.632 -9.976 -18.976 252 2HB TYR 31 2HB TYR 31 -0.331 -10.373 -17.567 253 HD1 TYR 31 HD1 TYR 31 -0.531 -8.784 -20.938 254 HD2 TYR 31 HD2 TYR 31 -2.667 -10.666 -17.745 255 HE1 TYR 31 HE1 TYR 31 -2.619 -8.886 -22.386 256 HE2 TYR 31 HE2 TYR 31 -4.747 -10.763 -19.203 257 HH TYR 31 HH TYR 31 -5.687 -9.975 -21.050 258 H LYS 32 H LYS 32 0.130 -6.140 -19.269 259 HA LYS 32 HA LYS 32 2.958 -6.552 -19.933 260 1HB LYS 32 1HB LYS 32 1.163 -4.719 -21.483 261 2HB LYS 32 2HB LYS 32 2.576 -5.611 -22.012 262 1HG LYS 32 1HG LYS 32 -0.086 -6.893 -21.235 263 2HG LYS 32 2HG LYS 32 0.416 -6.571 -22.882 264 1HD LYS 32 1HD LYS 32 2.597 -7.952 -22.120 265 2HD LYS 32 2HD LYS 32 1.488 -8.609 -20.933 266 1HE LYS 32 1HE LYS 32 -0.120 -8.954 -23.019 267 2HE LYS 32 2HE LYS 32 1.355 -8.806 -23.954 268 1HZ LYS 32 2HZ LYS 32 1.146 -10.651 -21.687 269 2HZ LYS 32 3HZ LYS 32 0.724 -11.088 -23.203 270 3HZ LYS 32 1HZ LYS 32 2.262 -10.647 -22.878 271 H VAL 33 H VAL 33 4.017 -4.254 -20.499 272 HA VAL 33 HA VAL 33 3.310 -2.482 -18.261 273 HB VAL 33 HB VAL 33 6.061 -2.986 -19.407 274 1HG1 VAL 33 2HG1 VAL 33 5.681 -0.770 -18.338 275 2HG1 VAL 33 3HG1 VAL 33 5.219 -1.607 -16.836 276 3HG1 VAL 33 1HG1 VAL 33 6.873 -1.771 -17.475 277 1HG2 VAL 33 3HG2 VAL 33 4.628 -4.806 -17.920 278 2HG2 VAL 33 1HG2 VAL 33 6.404 -4.706 -18.001 279 3HG2 VAL 33 2HG2 VAL 33 5.526 -3.918 -16.668 280 H TYR 34 H TYR 34 2.665 -0.481 -18.867 281 HA TYR 34 HA TYR 34 3.402 0.366 -21.586 282 1HB TYR 34 1HB TYR 34 1.077 1.223 -19.760 283 2HB TYR 34 2HB TYR 34 1.222 1.575 -21.471 284 HD1 TYR 34 HD1 TYR 34 1.013 -1.353 -19.135 285 HD2 TYR 34 HD2 TYR 34 0.091 0.228 -23.001 286 HE1 TYR 34 HE1 TYR 34 -0.316 -3.450 -19.683 287 HE2 TYR 34 HE2 TYR 34 -1.235 -1.874 -23.538 288 HH TYR 34 HH TYR 34 -1.914 -3.796 -22.843 289 H ASP 35 H ASP 35 3.987 2.578 -21.928 290 HA ASP 35 HA ASP 35 5.208 3.704 -19.592 291 1HB ASP 35 1HB ASP 35 5.808 3.640 -22.338 292 2HB ASP 35 2HB ASP 35 5.302 5.297 -22.078 293 H LEU 36 H LEU 36 3.282 4.450 -18.419 294 HA LEU 36 HA LEU 36 1.160 5.811 -19.451 295 1HB LEU 36 1HB LEU 36 2.551 5.878 -16.794 296 2HB LEU 36 2HB LEU 36 1.192 6.939 -17.107 297 HG LEU 36 HG LEU 36 1.258 3.952 -16.868 298 1HD1 LEU 36 2HD1 LEU 36 0.207 6.186 -15.379 299 2HD1 LEU 36 3HD1 LEU 36 -1.103 5.063 -15.818 300 3HD1 LEU 36 1HD1 LEU 36 0.318 4.467 -14.926 301 1HD2 LEU 36 3HD2 LEU 36 -0.736 5.537 -18.490 302 2HD2 LEU 36 1HD2 LEU 36 0.198 4.098 -18.968 303 3HD2 LEU 36 2HD2 LEU 36 -1.117 3.951 -17.776 304 H THR 37 H THR 37 4.490 6.916 -18.950 305 HA THR 37 HA THR 37 4.241 9.616 -18.850 306 HB THR 37 HB THR 37 6.188 7.650 -20.048 307 HG1 THR 37 HG1 THR 37 7.454 8.974 -18.444 308 1HG2 THR 37 3HG2 THR 37 5.940 10.503 -20.873 309 2HG2 THR 37 1HG2 THR 37 7.530 10.074 -20.201 310 3HG2 THR 37 2HG2 THR 37 6.894 9.194 -21.612 311 H LYS 38 H LYS 38 3.689 7.504 -21.688 312 HA LYS 38 HA LYS 38 3.322 9.800 -23.390 313 1HB LYS 38 1HB LYS 38 3.707 6.926 -23.702 314 2HB LYS 38 2HB LYS 38 2.411 7.518 -24.721 315 1HG LYS 38 1HG LYS 38 3.830 9.076 -25.842 316 2HG LYS 38 2HG LYS 38 5.043 9.024 -24.579 317 1HD LYS 38 1HD LYS 38 6.073 7.196 -25.481 318 2HD LYS 38 2HD LYS 38 4.556 6.361 -25.749 319 1HE LYS 38 1HE LYS 38 4.216 7.371 -27.872 320 2HE LYS 38 2HE LYS 38 5.297 8.705 -27.523 321 1HZ LYS 38 1HZ LYS 38 6.734 6.337 -27.319 322 2HZ LYS 38 2HZ LYS 38 5.912 6.295 -28.731 323 3HZ LYS 38 3HZ LYS 38 6.921 7.540 -28.408 324 H PHE 39 H PHE 39 1.377 7.485 -21.496 325 HA PHE 39 HA PHE 39 -1.085 8.119 -22.692 326 1HB PHE 39 1HB PHE 39 -0.189 7.092 -19.936 327 2HB PHE 39 2HB PHE 39 -1.878 7.139 -20.407 328 HD1 PHE 39 HD1 PHE 39 1.391 5.604 -21.190 329 HD2 PHE 39 HD2 PHE 39 -2.806 5.461 -21.802 330 HE1 PHE 39 HE1 PHE 39 1.622 3.342 -22.253 331 HE2 PHE 39 HE2 PHE 39 -2.574 3.198 -22.865 332 HZ PHE 39 HZ PHE 39 -0.362 2.167 -23.078 333 H LEU 40 H LEU 40 0.934 9.722 -20.273 334 HA LEU 40 HA LEU 40 -0.832 11.116 -18.780 335 1HB LEU 40 1HB LEU 40 1.915 11.412 -19.658 336 2HB LEU 40 2HB LEU 40 1.146 12.972 -19.444 337 HG LEU 40 HG LEU 40 0.508 12.327 -17.134 338 1HD1 LEU 40 3HD1 LEU 40 1.494 9.721 -18.033 339 2HD1 LEU 40 1HD1 LEU 40 2.166 10.229 -16.465 340 3HD1 LEU 40 2HD1 LEU 40 0.403 10.141 -16.691 341 1HD2 LEU 40 1HD2 LEU 40 2.975 13.160 -18.092 342 2HD2 LEU 40 2HD2 LEU 40 2.403 13.240 -16.407 343 3HD2 LEU 40 3HD2 LEU 40 3.378 11.854 -16.950 344 H GLU 41 H GLU 41 0.518 12.309 -21.942 345 HA GLU 41 HA GLU 41 -1.206 14.454 -22.087 346 1HB GLU 41 1HB GLU 41 -0.591 14.460 -24.537 347 2HB GLU 41 2HB GLU 41 0.786 14.381 -23.456 348 1HG GLU 41 1HG GLU 41 1.137 12.049 -23.876 349 2HG GLU 41 2HG GLU 41 -0.464 11.840 -24.558 350 H GLU 42 H GLU 42 -1.848 11.089 -22.383 351 HA GLU 42 HA GLU 42 -4.074 11.488 -24.163 352 1HB GLU 42 1HB GLU 42 -2.353 9.339 -23.629 353 2HB GLU 42 2HB GLU 42 -3.859 8.848 -22.876 354 1HG GLU 42 1HG GLU 42 -3.794 8.108 -25.234 355 2HG GLU 42 2HG GLU 42 -5.087 9.266 -24.993 356 H HIS 43 H HIS 43 -5.679 9.319 -22.827 357 HA HIS 43 HA HIS 43 -7.261 9.081 -21.324 358 1HB HIS 43 1HB HIS 43 -5.087 10.188 -19.822 359 2HB HIS 43 2HB HIS 43 -6.577 10.889 -19.221 360 HD1 HIS 43 HD1 HIS 43 -7.468 9.585 -17.299 361 HD2 HIS 43 HD2 HIS 43 -5.603 7.115 -20.132 362 HE1 HIS 43 HE1 HIS 43 -7.666 7.201 -16.410 363 HE2 HIS 43 HE2 HIS 43 -6.550 5.723 -18.219 364 HA PRO 44 HA PRO 44 -10.016 12.389 -21.779 365 1HB PRO 44 1HB PRO 44 -11.661 12.298 -19.598 366 2HB PRO 44 2HB PRO 44 -11.812 11.204 -20.959 367 1HG PRO 44 1HG PRO 44 -10.714 10.671 -18.266 368 2HG PRO 44 2HG PRO 44 -11.263 9.526 -19.475 369 1HD PRO 44 1HD PRO 44 -8.543 10.168 -18.828 370 2HD PRO 44 2HD PRO 44 -9.093 9.112 -20.114 371 H GLY 45 H GLY 45 -7.687 13.488 -21.223 372 1HA GLY 45 2HA GLY 45 -8.472 15.946 -20.023 373 2HA GLY 45 1HA GLY 45 -6.874 15.490 -20.575 374 H GLY 46 H GLY 46 -5.889 13.547 -19.103 375 1HA GLY 46 2HA GLY 46 -6.513 13.155 -16.484 376 2HA GLY 46 1HA GLY 46 -5.662 14.687 -16.473 377 H GLU 47 H GLU 47 -3.676 14.148 -15.590 378 HA GLU 47 HA GLU 47 -2.178 12.171 -17.116 379 1HB GLU 47 1HB GLU 47 -1.436 14.768 -15.802 380 2HB GLU 47 2HB GLU 47 -0.224 13.503 -15.807 381 1HG GLU 47 1HG GLU 47 0.276 14.425 -17.864 382 2HG GLU 47 2HG GLU 47 -0.967 13.312 -18.398 383 H GLU 48 H GLU 48 -2.615 13.528 -13.775 384 HA GLU 48 HA GLU 48 -1.160 11.670 -12.434 385 1HB GLU 48 1HB GLU 48 -2.896 13.780 -11.786 386 2HB GLU 48 2HB GLU 48 -3.629 12.391 -11.007 387 1HG GLU 48 1HG GLU 48 -1.186 11.864 -10.168 388 2HG GLU 48 2HG GLU 48 -0.845 13.531 -10.592 389 H VAL 49 H VAL 49 -4.585 11.496 -13.548 390 HA VAL 49 HA VAL 49 -5.513 9.322 -12.288 391 HB VAL 49 HB VAL 49 -6.724 10.656 -13.938 392 1HG1 VAL 49 1HG1 VAL 49 -4.677 10.535 -15.581 393 2HG1 VAL 49 2HG1 VAL 49 -5.506 9.082 -16.190 394 3HG1 VAL 49 3HG1 VAL 49 -6.335 10.658 -16.218 395 1HG2 VAL 49 3HG2 VAL 49 -6.659 7.658 -14.356 396 2HG2 VAL 49 1HG2 VAL 49 -7.788 8.619 -13.370 397 3HG2 VAL 49 2HG2 VAL 49 -7.859 8.711 -15.146 398 H LEU 50 H LEU 50 -2.827 9.460 -14.572 399 HA LEU 50 HA LEU 50 -2.743 6.530 -14.600 400 1HB LEU 50 1HB LEU 50 -1.444 8.589 -16.386 401 2HB LEU 50 2HB LEU 50 -1.122 6.868 -16.468 402 HG LEU 50 HG LEU 50 -3.984 7.474 -16.608 403 1HD1 LEU 50 3HD1 LEU 50 -2.141 9.081 -18.226 404 2HD1 LEU 50 1HD1 LEU 50 -3.341 8.181 -19.185 405 3HD1 LEU 50 2HD1 LEU 50 -3.878 9.293 -17.902 406 1HD2 LEU 50 2HD2 LEU 50 -2.393 5.387 -17.277 407 2HD2 LEU 50 3HD2 LEU 50 -4.021 5.663 -17.945 408 3HD2 LEU 50 1HD2 LEU 50 -2.583 6.172 -18.864 409 H ARG 51 H ARG 51 -1.056 9.520 -13.636 410 HA ARG 51 HA ARG 51 1.365 8.287 -13.047 411 1HB ARG 51 1HB ARG 51 0.637 10.850 -13.231 412 2HB ARG 51 2HB ARG 51 0.363 10.700 -11.506 413 1HG ARG 51 1HG ARG 51 2.911 9.477 -12.109 414 2HG ARG 51 2HG ARG 51 2.869 11.046 -12.889 415 1HD ARG 51 1HD ARG 51 1.906 11.871 -10.544 416 2HD ARG 51 2HD ARG 51 2.628 10.393 -9.940 417 HE ARG 51 HE ARG 51 4.657 11.520 -11.463 418 1HH1 ARG 51 2HH1 ARG 51 6.252 12.942 -10.659 419 2HH1 ARG 51 1HH1 ARG 51 5.925 13.903 -9.255 420 1HH2 ARG 51 2HH2 ARG 51 2.659 12.666 -8.804 421 2HH2 ARG 51 1HH2 ARG 51 3.869 13.745 -8.192 422 H GLU 52 H GLU 52 -1.644 8.911 -11.172 423 HA GLU 52 HA GLU 52 -0.601 8.214 -8.694 424 1HB GLU 52 1HB GLU 52 -2.935 8.091 -7.970 425 2HB GLU 52 2HB GLU 52 -2.724 9.467 -9.034 426 1HG GLU 52 1HG GLU 52 -3.515 7.970 -10.963 427 2HG GLU 52 2HG GLU 52 -3.921 6.757 -9.765 428 H GLN 53 H GLN 53 -1.221 6.325 -11.495 429 HA GLN 53 HA GLN 53 -1.473 3.929 -9.858 430 1HB GLN 53 1HB GLN 53 -2.232 2.834 -12.007 431 2HB GLN 53 2HB GLN 53 -3.296 4.101 -11.430 432 1HG GLN 53 1HG GLN 53 -2.196 5.725 -13.000 433 2HG GLN 53 2HG GLN 53 -1.163 4.437 -13.591 434 1HE2 GLN 53 1HE2 GLN 53 -4.372 5.762 -13.483 435 2HE2 GLN 53 2HE2 GLN 53 -5.087 4.803 -14.736 436 H ALA 54 H ALA 54 0.634 5.798 -11.890 437 HA ALA 54 HA ALA 54 2.204 3.723 -12.954 438 1HB ALA 54 2HB ALA 54 2.505 6.683 -12.477 439 2HB ALA 54 3HB ALA 54 3.917 5.727 -12.985 440 3HB ALA 54 1HB ALA 54 2.464 5.783 -14.011 441 H GLY 55 H GLY 55 3.886 2.537 -12.112 442 1HA GLY 55 2HA GLY 55 4.658 3.175 -9.325 443 2HA GLY 55 1HA GLY 55 5.783 2.604 -10.541 444 H GLY 56 H GLY 56 3.343 0.884 -11.619 445 1HA GLY 56 2HA GLY 56 3.026 -1.076 -9.507 446 2HA GLY 56 1HA GLY 56 4.060 -1.578 -10.830 447 H ASP 57 H ASP 57 1.842 -3.087 -10.508 448 HA ASP 57 HA ASP 57 0.591 -2.863 -12.949 449 1HB ASP 57 1HB ASP 57 0.312 -5.006 -12.192 450 2HB ASP 57 2HB ASP 57 0.363 -4.515 -10.510 451 H ALA 58 H ALA 58 -1.245 -1.690 -13.599 452 HA ALA 58 HA ALA 58 -2.690 -0.277 -11.468 453 1HB ALA 58 1HB ALA 58 -1.363 1.023 -13.230 454 2HB ALA 58 2HB ALA 58 -2.562 0.450 -14.413 455 3HB ALA 58 3HB ALA 58 -3.075 1.471 -13.047 456 H THR 59 H THR 59 -2.833 -2.753 -13.895 457 HA THR 59 HA THR 59 -5.396 -2.645 -14.830 458 HB THR 59 HB THR 59 -3.302 -4.360 -15.040 459 HG1 THR 59 HG1 THR 59 -5.520 -4.029 -16.190 460 1HG2 THR 59 3HG2 THR 59 -3.841 -5.409 -12.769 461 2HG2 THR 59 1HG2 THR 59 -5.416 -5.892 -13.441 462 3HG2 THR 59 2HG2 THR 59 -3.914 -6.550 -14.132 463 H GLU 60 H GLU 60 -4.290 -3.913 -11.637 464 HA GLU 60 HA GLU 60 -6.615 -4.971 -10.785 465 1HB GLU 60 1HB GLU 60 -5.811 -4.183 -8.444 466 2HB GLU 60 2HB GLU 60 -4.745 -5.223 -9.367 467 1HG GLU 60 1HG GLU 60 -3.126 -3.644 -9.259 468 2HG GLU 60 2HG GLU 60 -4.138 -2.553 -10.185 469 H ASN 61 H ASN 61 -5.749 -1.532 -11.131 470 HA ASN 61 HA ASN 61 -8.196 -0.777 -9.797 471 1HB ASN 61 1HB ASN 61 -5.625 0.417 -10.103 472 2HB ASN 61 2HB ASN 61 -6.702 1.419 -11.053 473 1HD2 ASN 61 1HD2 ASN 61 -8.828 1.955 -9.981 474 2HD2 ASN 61 2HD2 ASN 61 -8.792 2.415 -8.312 475 H PHE 62 H PHE 62 -6.414 -0.291 -12.938 476 HA PHE 62 HA PHE 62 -8.324 1.102 -14.305 477 1HB PHE 62 1HB PHE 62 -6.442 0.841 -15.644 478 2HB PHE 62 2HB PHE 62 -5.963 -0.607 -14.780 479 HD1 PHE 62 HD1 PHE 62 -7.312 -2.777 -15.381 480 HD2 PHE 62 HD2 PHE 62 -7.104 0.664 -17.856 481 HE1 PHE 62 HE1 PHE 62 -7.936 -4.172 -17.374 482 HE2 PHE 62 HE2 PHE 62 -7.726 -0.730 -19.848 483 HZ PHE 62 HZ PHE 62 -8.136 -3.133 -19.583 484 H GLU 63 H GLU 63 -8.481 -2.169 -13.143 485 HA GLU 63 HA GLU 63 -10.310 -3.019 -15.163 486 1HB GLU 63 1HB GLU 63 -8.982 -4.228 -12.771 487 2HB GLU 63 2HB GLU 63 -10.527 -4.921 -13.221 488 1HG GLU 63 1HG GLU 63 -8.533 -4.433 -15.426 489 2HG GLU 63 2HG GLU 63 -8.204 -5.753 -14.320 490 H ASP 64 H ASP 64 -10.391 -1.715 -11.838 491 HA ASP 64 HA ASP 64 -13.061 -2.353 -11.349 492 1HB ASP 64 1HB ASP 64 -11.872 -1.784 -9.415 493 2HB ASP 64 2HB ASP 64 -11.009 -0.478 -10.200 494 H VAL 65 H VAL 65 -11.349 0.264 -13.053 495 HA VAL 65 HA VAL 65 -13.696 1.945 -13.167 496 HB VAL 65 HB VAL 65 -11.953 3.346 -13.093 497 1HG1 VAL 65 3HG1 VAL 65 -10.283 1.144 -14.339 498 2HG1 VAL 65 1HG1 VAL 65 -9.651 2.771 -13.992 499 3HG1 VAL 65 2HG1 VAL 65 -10.243 1.746 -12.663 500 1HG2 VAL 65 3HG2 VAL 65 -12.926 3.754 -15.314 501 2HG2 VAL 65 1HG2 VAL 65 -11.184 4.120 -15.291 502 3HG2 VAL 65 2HG2 VAL 65 -11.767 2.613 -16.035 503 H GLY 66 H GLY 66 -12.904 -0.926 -14.572 504 1HA GLY 66 2HA GLY 66 -14.804 -1.175 -16.391 505 2HA GLY 66 1HA GLY 66 -13.210 -1.862 -16.633 506 H HIS 67 H HIS 67 -11.624 -0.727 -17.951 507 HA HIS 67 HA HIS 67 -12.407 1.707 -19.219 508 1HB HIS 67 1HB HIS 67 -10.027 -0.133 -19.425 509 2HB HIS 67 2HB HIS 67 -10.247 1.190 -20.552 510 HD1 HIS 67 HD1 HIS 67 -9.572 0.490 -16.894 511 HD2 HIS 67 HD2 HIS 67 -9.722 3.751 -19.530 512 HE1 HIS 67 HE1 HIS 67 -8.580 2.475 -15.634 513 HE2 HIS 67 HE2 HIS 67 -8.647 4.434 -17.323 514 H SER 68 H SER 68 -11.765 1.564 -21.844 515 HA SER 68 HA SER 68 -13.721 -0.363 -22.800 516 1HB SER 68 1HB SER 68 -14.271 1.146 -24.523 517 2HB SER 68 2HB SER 68 -13.981 2.201 -23.155 518 HG SER 68 HG SER 68 -12.260 3.052 -24.128 519 H THR 69 H THR 69 -13.270 -1.471 -24.890 520 HA THR 69 HA THR 69 -10.748 -2.621 -24.973 521 HB THR 69 HB THR 69 -13.139 -2.423 -26.832 522 HG1 THR 69 HG1 THR 69 -11.590 -4.439 -25.364 523 1HG2 THR 69 2HG2 THR 69 -10.373 -3.446 -27.471 524 2HG2 THR 69 3HG2 THR 69 -11.754 -4.470 -27.934 525 3HG2 THR 69 1HG2 THR 69 -11.621 -2.812 -28.571 526 H ASP 70 H ASP 70 -11.810 0.491 -26.126 527 HA ASP 70 HA ASP 70 -9.831 0.697 -28.129 528 1HB ASP 70 1HB ASP 70 -11.966 2.039 -28.051 529 2HB ASP 70 2HB ASP 70 -11.365 2.879 -26.635 530 H ALA 71 H ALA 71 -10.296 1.887 -24.729 531 HA ALA 71 HA ALA 71 -7.968 3.378 -24.526 532 1HB ALA 71 2HB ALA 71 -8.371 2.466 -21.985 533 2HB ALA 71 3HB ALA 71 -9.311 3.781 -22.731 534 3HB ALA 71 1HB ALA 71 -9.960 2.124 -22.712 535 H ARG 72 H ARG 72 -8.616 -0.125 -23.905 536 HA ARG 72 HA ARG 72 -6.073 -0.658 -22.943 537 1HB ARG 72 1HB ARG 72 -7.882 -2.605 -24.454 538 2HB ARG 72 2HB ARG 72 -6.666 -3.018 -23.262 539 1HG ARG 72 1HG ARG 72 -7.958 -1.804 -21.506 540 2HG ARG 72 2HG ARG 72 -9.165 -1.352 -22.694 541 1HD ARG 72 1HD ARG 72 -9.816 -3.676 -23.040 542 2HD ARG 72 2HD ARG 72 -8.447 -4.262 -22.116 543 HE ARG 72 HE ARG 72 -9.972 -2.511 -20.444 544 1HH1 ARG 72 2HH1 ARG 72 -11.376 -3.350 -18.849 545 2HH1 ARG 72 1HH1 ARG 72 -11.946 -4.981 -18.968 546 1HH2 ARG 72 2HH2 ARG 72 -10.216 -5.679 -21.956 547 2HH2 ARG 72 1HH2 ARG 72 -11.281 -6.315 -20.748 548 H GLU 73 H GLU 73 -7.540 -0.830 -26.244 549 HA GLU 73 HA GLU 73 -5.349 -1.993 -27.477 550 1HB GLU 73 1HB GLU 73 -7.880 -0.748 -28.258 551 2HB GLU 73 2HB GLU 73 -6.611 -0.350 -29.402 552 1HG GLU 73 1HG GLU 73 -6.134 -2.674 -29.843 553 2HG GLU 73 2HG GLU 73 -7.051 -3.208 -28.449 554 H LEU 74 H LEU 74 -6.269 1.453 -26.917 555 HA LEU 74 HA LEU 74 -4.268 2.614 -28.444 556 1HB LEU 74 1HB LEU 74 -5.132 4.512 -27.690 557 2HB LEU 74 2HB LEU 74 -6.367 3.488 -26.985 558 HG LEU 74 HG LEU 74 -4.690 3.441 -24.927 559 1HD1 LEU 74 3HD1 LEU 74 -3.174 4.998 -26.517 560 2HD1 LEU 74 1HD1 LEU 74 -4.115 6.252 -25.673 561 3HD1 LEU 74 2HD1 LEU 74 -3.151 5.083 -24.739 562 1HD2 LEU 74 1HD2 LEU 74 -7.061 4.791 -25.574 563 2HD2 LEU 74 2HD2 LEU 74 -6.377 4.507 -23.955 564 3HD2 LEU 74 3HD2 LEU 74 -6.005 6.013 -24.828 565 H SER 75 H SER 75 -4.260 1.368 -25.065 566 HA SER 75 HA SER 75 -1.793 2.369 -24.369 567 1HB SER 75 1HB SER 75 -2.336 -0.296 -23.248 568 2HB SER 75 2HB SER 75 -2.186 1.246 -22.430 569 HG SER 75 HG SER 75 -4.361 0.137 -22.383 570 H LYS 76 H LYS 76 -2.759 -0.464 -26.305 571 HA LYS 76 HA LYS 76 -0.333 -1.848 -26.201 572 1HB LYS 76 1HB LYS 76 -1.388 -3.309 -27.538 573 2HB LYS 76 2HB LYS 76 -2.810 -2.336 -27.208 574 1HG LYS 76 1HG LYS 76 -2.093 -0.893 -29.254 575 2HG LYS 76 2HG LYS 76 -0.978 -2.191 -29.636 576 1HD LYS 76 1HD LYS 76 -3.276 -3.639 -29.223 577 2HD LYS 76 2HD LYS 76 -3.964 -2.137 -29.807 578 1HE LYS 76 1HE LYS 76 -3.309 -2.574 -31.940 579 2HE LYS 76 2HE LYS 76 -1.655 -2.858 -31.440 580 1HZ LYS 76 1HZ LYS 76 -2.885 -5.048 -30.558 581 2HZ LYS 76 2HZ LYS 76 -3.744 -4.744 -31.914 582 3HZ LYS 76 3HZ LYS 76 -2.126 -4.940 -32.000 583 H THR 77 H THR 77 -1.111 1.224 -27.506 584 HA THR 77 HA THR 77 0.935 1.070 -29.577 585 HB THR 77 HB THR 77 -1.466 2.237 -29.634 586 HG1 THR 77 HG1 THR 77 -0.451 3.502 -31.276 587 1HG2 THR 77 1HG2 THR 77 -0.339 3.774 -27.599 588 2HG2 THR 77 2HG2 THR 77 0.040 4.731 -29.051 589 3HG2 THR 77 3HG2 THR 77 -1.651 4.321 -28.670 590 H PHE 78 H PHE 78 0.516 2.068 -26.242 591 HA PHE 78 HA PHE 78 3.048 3.526 -26.404 592 1HB PHE 78 1HB PHE 78 0.668 3.391 -24.480 593 2HB PHE 78 2HB PHE 78 2.177 4.117 -23.963 594 HD1 PHE 78 HD1 PHE 78 2.957 5.481 -26.526 595 HD2 PHE 78 HD2 PHE 78 -0.768 5.242 -24.509 596 HE1 PHE 78 HE1 PHE 78 2.261 7.663 -27.553 597 HE2 PHE 78 HE2 PHE 78 -1.465 7.424 -25.536 598 HZ PHE 78 HZ PHE 78 0.058 8.609 -27.046 599 H ILE 79 H ILE 79 2.058 0.426 -25.984 600 HA ILE 79 HA ILE 79 3.121 -0.324 -23.518 601 HB ILE 79 HB ILE 79 2.276 -1.632 -26.022 602 1HG1 ILE 79 1HG1 ILE 79 1.747 -1.890 -23.070 603 2HG1 ILE 79 2HG1 ILE 79 0.632 -1.500 -24.365 604 1HG2 ILE 79 2HG2 ILE 79 4.527 -2.596 -25.729 605 2HG2 ILE 79 3HG2 ILE 79 4.085 -3.095 -24.078 606 3HG2 ILE 79 1HG2 ILE 79 3.233 -3.792 -25.478 607 1HD1 ILE 79 1HD1 ILE 79 0.884 -3.820 -25.274 608 2HD1 ILE 79 2HD1 ILE 79 1.968 -4.210 -23.916 609 3HD1 ILE 79 3HD1 ILE 79 0.260 -3.810 -23.605 610 H ILE 80 H ILE 80 5.170 -0.705 -22.779 611 HA ILE 80 HA ILE 80 7.304 -0.212 -24.728 612 HB ILE 80 HB ILE 80 8.499 0.014 -22.311 613 1HG1 ILE 80 1HG1 ILE 80 5.679 1.058 -21.913 614 2HG1 ILE 80 2HG1 ILE 80 6.363 -0.344 -21.114 615 1HG2 ILE 80 2HG2 ILE 80 7.692 1.706 -24.453 616 2HG2 ILE 80 3HG2 ILE 80 7.376 2.565 -22.927 617 3HG2 ILE 80 1HG2 ILE 80 9.007 1.942 -23.277 618 1HD1 ILE 80 2HD1 ILE 80 8.234 1.811 -20.775 619 2HD1 ILE 80 3HD1 ILE 80 6.614 2.430 -20.376 620 3HD1 ILE 80 1HD1 ILE 80 7.253 1.000 -19.530 621 H GLY 81 H GLY 81 5.969 -2.453 -22.304 622 1HA GLY 81 2HA GLY 81 8.096 -4.163 -21.914 623 2HA GLY 81 1HA GLY 81 7.390 -4.646 -23.442 624 H GLU 82 H GLU 82 7.448 -6.000 -20.720 625 HA GLU 82 HA GLU 82 4.696 -5.903 -19.928 626 1HB GLU 82 1HB GLU 82 5.677 -8.651 -20.657 627 2HB GLU 82 2HB GLU 82 4.036 -8.039 -20.591 628 1HG GLU 82 1HG GLU 82 4.468 -6.660 -22.637 629 2HG GLU 82 2HG GLU 82 6.108 -7.273 -22.704 630 H LEU 83 H LEU 83 4.322 -7.470 -18.007 631 HA LEU 83 HA LEU 83 6.525 -7.138 -16.223 632 1HB LEU 83 1HB LEU 83 3.996 -6.923 -15.780 633 2HB LEU 83 2HB LEU 83 4.000 -8.672 -15.671 634 HG LEU 83 HG LEU 83 4.402 -8.375 -13.497 635 1HD1 LEU 83 2HD1 LEU 83 6.624 -9.115 -14.335 636 2HD1 LEU 83 3HD1 LEU 83 7.148 -7.415 -14.342 637 3HD1 LEU 83 1HD1 LEU 83 6.700 -8.200 -12.809 638 1HD2 LEU 83 2HD2 LEU 83 4.421 -5.640 -14.321 639 2HD2 LEU 83 3HD2 LEU 83 4.038 -6.331 -12.725 640 3HD2 LEU 83 1HD2 LEU 83 5.714 -5.882 -13.123 641 H HIS 84 H HIS 84 8.218 -8.491 -16.025 642 HA HIS 84 HA HIS 84 8.271 -10.936 -17.396 643 1HB HIS 84 1HB HIS 84 10.099 -9.211 -16.109 644 2HB HIS 84 2HB HIS 84 10.265 -10.760 -15.308 645 HD1 HIS 84 HD1 HIS 84 12.725 -10.423 -16.612 646 HD2 HIS 84 HD2 HIS 84 9.386 -11.489 -18.918 647 HE1 HIS 84 HE1 HIS 84 13.638 -11.386 -18.791 648 HE2 HIS 84 HE2 HIS 84 11.542 -12.074 -20.144 649 HA PRO 85 HA PRO 85 7.107 -13.797 -14.338 650 1HB PRO 85 1HB PRO 85 9.133 -15.603 -14.024 651 2HB PRO 85 2HB PRO 85 8.031 -15.627 -15.386 652 1HG PRO 85 1HG PRO 85 10.847 -14.729 -15.295 653 2HG PRO 85 2HG PRO 85 9.877 -15.160 -16.690 654 1HD PRO 85 1HD PRO 85 10.563 -12.512 -15.826 655 2HD PRO 85 2HD PRO 85 9.498 -12.940 -17.151 656 H ASP 86 H ASP 86 9.072 -11.475 -13.509 657 HA ASP 86 HA ASP 86 10.003 -12.473 -11.040 658 1HB ASP 86 1HB ASP 86 11.308 -10.658 -11.484 659 2HB ASP 86 2HB ASP 86 10.131 -9.990 -12.598 660 H ASP 87 H ASP 87 7.052 -11.007 -12.305 661 HA ASP 87 HA ASP 87 5.618 -11.553 -10.012 662 1HB ASP 87 1HB ASP 87 6.691 -8.747 -10.279 663 2HB ASP 87 2HB ASP 87 5.050 -8.935 -9.695 664 H ARG 88 H ARG 88 5.191 -12.168 -12.653 665 HA ARG 88 HA ARG 88 3.492 -10.126 -13.766 666 1HB ARG 88 1HB ARG 88 3.402 -11.688 -15.754 667 2HB ARG 88 2HB ARG 88 5.033 -11.213 -15.323 668 1HG ARG 88 1HG ARG 88 5.115 -13.384 -13.894 669 2HG ARG 88 2HG ARG 88 3.653 -13.862 -14.731 670 1HD ARG 88 1HD ARG 88 4.864 -13.538 -16.937 671 2HD ARG 88 2HD ARG 88 6.331 -13.190 -16.044 672 HE ARG 88 HE ARG 88 5.445 -15.629 -15.005 673 1HH1 ARG 88 2HH1 ARG 88 6.145 -17.666 -15.770 674 2HH1 ARG 88 1HH1 ARG 88 6.739 -17.825 -17.389 675 1HH2 ARG 88 2HH2 ARG 88 6.296 -14.426 -18.200 676 2HH2 ARG 88 1HH2 ARG 88 6.826 -15.970 -18.780 677 H SER 89 H SER 89 3.383 -13.641 -12.839 678 HA SER 89 HA SER 89 0.606 -13.806 -13.258 679 1HB SER 89 1HB SER 89 2.309 -15.719 -13.304 680 2HB SER 89 2HB SER 89 2.336 -15.646 -11.554 681 HG SER 89 HG SER 89 0.494 -16.837 -13.206 682 H LYS 90 H LYS 90 2.381 -12.144 -10.956 683 HA LYS 90 HA LYS 90 0.608 -12.762 -8.737 684 1HB LYS 90 1HB LYS 90 3.323 -11.891 -9.012 685 2HB LYS 90 2HB LYS 90 2.443 -10.662 -8.126 686 1HG LYS 90 1HG LYS 90 1.441 -12.731 -6.792 687 2HG LYS 90 2HG LYS 90 2.838 -13.581 -7.419 688 1HD LYS 90 1HD LYS 90 4.377 -12.036 -6.358 689 2HD LYS 90 2HD LYS 90 3.091 -10.909 -5.977 690 1HE LYS 90 1HE LYS 90 2.045 -12.761 -4.530 691 2HE LYS 90 2HE LYS 90 3.518 -13.679 -4.772 692 1HZ LYS 90 1HZ LYS 90 4.078 -11.028 -3.989 693 2HZ LYS 90 2HZ LYS 90 3.109 -11.762 -2.899 694 3HZ LYS 90 3HZ LYS 90 4.546 -12.429 -3.295 695 H ILE 91 H ILE 91 0.655 -10.791 -11.491 696 HA ILE 91 HA ILE 91 -1.238 -8.967 -10.194 697 HB ILE 91 HB ILE 91 -0.344 -7.090 -11.196 698 1HG1 ILE 91 1HG1 ILE 91 1.274 -8.900 -13.012 699 2HG1 ILE 91 2HG1 ILE 91 -0.127 -7.951 -13.466 700 1HG2 ILE 91 3HG2 ILE 91 1.123 -8.362 -9.408 701 2HG2 ILE 91 1HG2 ILE 91 2.275 -8.466 -10.761 702 3HG2 ILE 91 2HG2 ILE 91 1.704 -6.877 -10.198 703 1HD1 ILE 91 2HD1 ILE 91 1.924 -6.314 -12.124 704 2HD1 ILE 91 3HD1 ILE 91 2.532 -7.104 -13.599 705 3HD1 ILE 91 1HD1 ILE 91 1.102 -6.048 -13.680 706 H THR 92 H THR 92 -0.064 -10.667 -13.129 707 HA THR 92 HA THR 92 -1.674 -10.004 -15.092 708 HB THR 92 HB THR 92 -0.090 -12.036 -14.838 709 HG1 THR 92 HG1 THR 92 -1.125 -12.030 -16.816 710 1HG2 THR 92 3HG2 THR 92 -1.373 -13.154 -12.958 711 2HG2 THR 92 1HG2 THR 92 -2.740 -13.368 -14.076 712 3HG2 THR 92 2HG2 THR 92 -1.196 -14.195 -14.390 713 H LYS 93 H LYS 93 -2.849 -12.050 -12.340 714 HA LYS 93 HA LYS 93 -4.874 -12.180 -11.444 715 1HB LYS 93 1HB LYS 93 -4.889 -9.610 -12.379 716 2HB LYS 93 2HB LYS 93 -6.266 -10.282 -13.230 717 1HG LYS 93 1HG LYS 93 -7.506 -10.524 -11.312 718 2HG LYS 93 2HG LYS 93 -6.135 -11.086 -10.375 719 1HD LYS 93 1HD LYS 93 -5.275 -8.669 -10.365 720 2HD LYS 93 2HD LYS 93 -6.803 -8.193 -11.078 721 1HE LYS 93 1HE LYS 93 -7.943 -8.430 -9.104 722 2HE LYS 93 2HE LYS 93 -7.140 -9.935 -8.706 723 1HZ LYS 93 3HZ LYS 93 -5.253 -7.928 -8.549 724 2HZ LYS 93 1HZ LYS 93 -6.573 -7.383 -7.760 725 3HZ LYS 93 2HZ LYS 93 -5.888 -8.798 -7.323 726 HA PRO 94 HA PRO 94 -6.587 -15.069 -14.167 727 1HB PRO 94 1HB PRO 94 -8.626 -16.011 -12.612 728 2HB PRO 94 2HB PRO 94 -6.968 -16.555 -12.450 729 1HG PRO 94 1HG PRO 94 -8.498 -14.727 -10.702 730 2HG PRO 94 2HG PRO 94 -7.024 -15.604 -10.349 731 1HD PRO 94 1HD PRO 94 -7.254 -12.812 -10.962 732 2HD PRO 94 2HD PRO 94 -5.771 -13.714 -10.722 733 H SER 95 H SER 95 -9.425 -13.837 -12.483 734 HA SER 95 HA SER 95 -10.209 -12.306 -14.701 735 1HB SER 95 1HB SER 95 -12.154 -13.615 -15.431 736 2HB SER 95 2HB SER 95 -10.685 -14.545 -15.653 737 HG SER 95 HG SER 95 -11.542 -15.107 -13.168 738 H GLU 96 H GLU 96 -12.738 -11.708 -14.349 739 HA GLU 96 HA GLU 96 -13.481 -11.934 -11.590 740 1HB GLU 96 1HB GLU 96 -11.901 -9.814 -12.104 741 2HB GLU 96 2HB GLU 96 -13.418 -9.113 -12.632 742 1HG GLU 96 1HG GLU 96 -13.375 -8.549 -10.344 743 2HG GLU 96 2HG GLU 96 -14.379 -9.983 -10.352 744 H SER 97 H SER 97 -15.721 -11.908 -11.354 745 HA SER 97 HA SER 97 -17.181 -11.154 -13.766 746 1HB SER 97 1HB SER 97 -17.025 -13.693 -12.652 747 2HB SER 97 2HB SER 97 -18.507 -13.081 -11.943 748 HG SER 97 HG SER 97 -18.676 -12.366 -14.491 749 H ILE 98 H ILE 98 -18.695 -9.545 -13.478 750 HA ILE 98 HA ILE 98 -19.536 -9.029 -10.711 751 HB ILE 98 HB ILE 98 -19.541 -6.686 -11.176 752 1HG1 ILE 98 1HG1 ILE 98 -20.147 -7.048 -13.656 753 2HG1 ILE 98 2HG1 ILE 98 -19.156 -5.667 -13.226 754 1HG2 ILE 98 3HG2 ILE 98 -17.035 -8.228 -11.711 755 2HG2 ILE 98 1HG2 ILE 98 -17.014 -6.458 -11.893 756 3HG2 ILE 98 2HG2 ILE 98 -17.470 -7.187 -10.335 757 1HD1 ILE 98 2HD1 ILE 98 -17.497 -8.034 -13.716 758 2HD1 ILE 98 3HD1 ILE 98 -18.525 -7.651 -15.117 759 3HD1 ILE 98 1HD1 ILE 98 -17.413 -6.423 -14.466 760 H ILE 99 H ILE 99 -21.690 -7.747 -10.671 761 HA ILE 99 HA ILE 99 -23.455 -9.077 -12.586 762 HB ILE 99 HB ILE 99 -25.208 -8.685 -10.956 763 1HG1 ILE 99 1HG1 ILE 99 -23.917 -7.945 -8.604 764 2HG1 ILE 99 2HG1 ILE 99 -23.239 -6.860 -9.800 765 1HG2 ILE 99 1HG2 ILE 99 -23.439 -10.630 -10.869 766 2HG2 ILE 99 2HG2 ILE 99 -22.979 -9.853 -9.335 767 3HG2 ILE 99 3HG2 ILE 99 -24.647 -10.430 -9.577 768 1HD1 ILE 99 1HD1 ILE 99 -25.968 -6.906 -10.453 769 2HD1 ILE 99 2HD1 ILE 99 -25.952 -6.925 -8.673 770 3HD1 ILE 99 3HD1 ILE 99 -25.124 -5.619 -9.555 771 H THR 100 H THR 100 -25.350 -7.807 -13.396 772 HA THR 100 HA THR 100 -24.794 -4.929 -13.509 773 HB THR 100 HB THR 100 -23.799 -6.114 -15.519 774 HG1 THR 100 HG1 THR 100 -24.678 -4.433 -16.758 775 1HG2 THR 100 1HG2 THR 100 -26.718 -6.942 -15.823 776 2HG2 THR 100 2HG2 THR 100 -25.672 -6.731 -17.248 777 3HG2 THR 100 3HG2 THR 100 -25.261 -7.947 -16.014 778 H THR 101 H THR 101 -26.706 -3.693 -14.416 779 HA THR 101 HA THR 101 -29.237 -5.080 -14.040 780 HB THR 101 HB THR 101 -28.365 -4.175 -11.775 781 HG1 THR 101 HG1 THR 101 -30.555 -3.913 -11.436 782 1HG2 THR 101 3HG2 THR 101 -27.940 -1.818 -13.278 783 2HG2 THR 101 1HG2 THR 101 -29.456 -1.511 -12.397 784 3HG2 THR 101 2HG2 THR 101 -27.976 -1.934 -11.503 785 H ILE 102 H ILE 102 -31.097 -3.798 -14.787 786 HA ILE 102 HA ILE 102 -30.322 -1.566 -16.498 787 HB ILE 102 HB ILE 102 -30.231 -3.659 -17.828 788 1HG1 ILE 102 1HG1 ILE 102 -32.529 -2.140 -18.953 789 2HG1 ILE 102 2HG1 ILE 102 -31.101 -1.210 -18.544 790 1HG2 ILE 102 1HG2 ILE 102 -32.994 -3.930 -16.759 791 2HG2 ILE 102 2HG2 ILE 102 -32.725 -4.396 -18.457 792 3HG2 ILE 102 3HG2 ILE 102 -31.784 -5.173 -17.161 793 1HD1 ILE 102 1HD1 ILE 102 -30.806 -3.791 -20.103 794 2HD1 ILE 102 2HD1 ILE 102 -31.280 -2.291 -20.935 795 3HD1 ILE 102 3HD1 ILE 102 -29.728 -2.376 -20.067 796 H ASP 103 H ASP 103 -32.305 -0.339 -17.263 797 HA ASP 103 HA ASP 103 -34.655 -0.848 -15.709 798 1HB ASP 103 1HB ASP 103 -34.599 1.688 -15.000 799 2HB ASP 103 2HB ASP 103 -33.710 0.513 -14.050 800 H SER 104 H SER 104 -36.357 1.010 -16.315 801 HA SER 104 HA SER 104 -35.734 2.279 -18.816 802 1HB SER 104 1HB SER 104 -37.591 1.301 -20.047 803 2HB SER 104 2HB SER 104 -36.569 0.006 -19.456 804 HG SER 104 HG SER 104 -39.110 0.038 -19.145 No H/Q in entry = 804 Start of MODEL 4 1 H ALA 1 H ALA 1 33.130 -0.831 -31.960 2 HA ALA 1 HA ALA 1 34.494 -3.120 -31.607 3 1HB ALA 1 2HB ALA 1 34.183 -1.856 -29.061 4 2HB ALA 1 1HB ALA 1 34.869 -3.460 -29.420 5 3HB ALA 1 3HB ALA 1 33.130 -3.291 -29.083 6 H GLU 2 H GLU 2 31.420 -1.824 -30.148 7 HA GLU 2 HA GLU 2 29.810 -2.657 -32.193 8 1HB GLU 2 1HB GLU 2 30.642 -4.864 -30.496 9 2HB GLU 2 2HB GLU 2 28.914 -4.625 -30.331 10 1HG GLU 2 1HG GLU 2 28.599 -4.772 -32.763 11 2HG GLU 2 2HG GLU 2 30.332 -4.810 -33.029 12 H GLU 3 H GLU 3 27.371 -2.971 -31.249 13 HA GLU 3 HA GLU 3 26.850 -1.933 -28.733 14 1HB GLU 3 1HB GLU 3 27.534 0.075 -30.662 15 2HB GLU 3 2HB GLU 3 25.809 0.206 -30.377 16 1HG GLU 3 1HG GLU 3 26.366 0.108 -27.846 17 2HG GLU 3 2HG GLU 3 28.041 0.335 -28.307 18 H SER 4 H SER 4 24.414 -1.385 -28.511 19 HA SER 4 HA SER 4 22.669 -1.897 -30.577 20 1HB SER 4 1HB SER 4 23.838 -4.268 -29.959 21 2HB SER 4 2HB SER 4 22.556 -4.284 -28.764 22 HG SER 4 HG SER 4 21.944 -3.645 -31.499 23 H SER 5 H SER 5 20.350 -2.529 -29.535 24 HA SER 5 HA SER 5 20.041 -2.046 -26.805 25 1HB SER 5 1HB SER 5 20.444 0.318 -28.271 26 2HB SER 5 2HB SER 5 18.703 0.231 -28.103 27 HG SER 5 HG SER 5 20.433 -0.192 -25.838 28 H LYS 6 H LYS 6 17.507 -1.489 -26.406 29 HA LYS 6 HA LYS 6 15.709 -2.104 -28.468 30 1HB LYS 6 1HB LYS 6 15.015 -4.347 -27.841 31 2HB LYS 6 2HB LYS 6 16.696 -4.344 -28.336 32 1HG LYS 6 1HG LYS 6 17.278 -4.093 -25.816 33 2HG LYS 6 2HG LYS 6 15.599 -4.480 -25.497 34 1HD LYS 6 1HD LYS 6 16.149 -6.521 -27.191 35 2HD LYS 6 2HD LYS 6 17.777 -6.236 -26.608 36 1HE LYS 6 1HE LYS 6 16.118 -6.161 -24.291 37 2HE LYS 6 2HE LYS 6 15.533 -7.513 -25.239 38 1HZ LYS 6 1HZ LYS 6 18.345 -7.459 -25.217 39 2HZ LYS 6 2HZ LYS 6 17.772 -7.458 -23.687 40 3HZ LYS 6 3HZ LYS 6 17.335 -8.644 -24.722 41 H ALA 7 H ALA 7 13.494 -2.938 -27.198 42 HA ALA 7 HA ALA 7 13.136 -0.838 -25.227 43 1HB ALA 7 1HB ALA 7 11.482 -2.359 -27.148 44 2HB ALA 7 3HB ALA 7 11.292 -0.697 -26.539 45 3HB ALA 7 2HB ALA 7 10.697 -2.072 -25.577 46 H VAL 8 H VAL 8 11.959 -1.308 -23.178 47 HA VAL 8 HA VAL 8 13.198 -3.038 -21.566 48 HB VAL 8 HB VAL 8 11.828 -1.676 -20.411 49 1HG1 VAL 8 1HG1 VAL 8 10.146 -1.838 -22.825 50 2HG1 VAL 8 2HG1 VAL 8 9.234 -1.622 -21.312 51 3HG1 VAL 8 3HG1 VAL 8 10.502 -0.456 -21.761 52 1HG2 VAL 8 3HG2 VAL 8 11.313 -4.082 -19.770 53 2HG2 VAL 8 1HG2 VAL 8 10.100 -2.869 -19.296 54 3HG2 VAL 8 2HG2 VAL 8 9.808 -3.915 -20.705 55 H LYS 9 H LYS 9 9.961 -3.826 -23.031 56 HA LYS 9 HA LYS 9 9.179 -5.733 -23.851 57 1HB LYS 9 1HB LYS 9 12.022 -6.100 -24.133 58 2HB LYS 9 2HB LYS 9 11.285 -7.623 -23.674 59 1HG LYS 9 1HG LYS 9 9.489 -6.584 -25.569 60 2HG LYS 9 2HG LYS 9 11.056 -6.120 -26.204 61 1HD LYS 9 1HD LYS 9 11.365 -8.805 -25.302 62 2HD LYS 9 2HD LYS 9 9.816 -8.763 -26.120 63 1HE LYS 9 1HE LYS 9 11.001 -8.964 -28.059 64 2HE LYS 9 2HE LYS 9 11.416 -7.275 -27.848 65 1HZ LYS 9 1HZ LYS 9 13.079 -8.894 -26.269 66 2HZ LYS 9 2HZ LYS 9 13.129 -9.399 -27.821 67 3HZ LYS 9 3HZ LYS 9 13.489 -7.849 -27.454 68 H TYR 10 H TYR 10 11.546 -6.441 -21.185 69 HA TYR 10 HA TYR 10 9.294 -7.572 -19.690 70 1HB TYR 10 1HB TYR 10 11.752 -8.976 -19.109 71 2HB TYR 10 2HB TYR 10 10.331 -9.641 -19.892 72 HD1 TYR 10 HD1 TYR 10 10.479 -10.414 -22.093 73 HD2 TYR 10 HD2 TYR 10 13.411 -7.648 -20.658 74 HE1 TYR 10 HE1 TYR 10 11.802 -10.687 -24.247 75 HE2 TYR 10 HE2 TYR 10 14.724 -7.932 -22.816 76 HH TYR 10 HH TYR 10 14.653 -10.233 -24.677 77 H TYR 11 H TYR 11 9.099 -6.361 -17.875 78 HA TYR 11 HA TYR 11 11.604 -5.536 -16.570 79 1HB TYR 11 1HB TYR 11 9.241 -4.093 -17.608 80 2HB TYR 11 2HB TYR 11 9.386 -3.829 -15.882 81 HD1 TYR 11 HD1 TYR 11 9.902 -1.481 -16.030 82 HD2 TYR 11 HD2 TYR 11 12.316 -4.356 -18.083 83 HE1 TYR 11 HE1 TYR 11 11.668 0.297 -16.455 84 HE2 TYR 11 HE2 TYR 11 14.075 -2.567 -18.502 85 HH TYR 11 HH TYR 11 14.301 0.157 -16.855 86 H THR 12 H THR 12 11.176 -4.948 -14.167 87 HA THR 12 HA THR 12 9.395 -7.021 -13.078 88 HB THR 12 HB THR 12 10.982 -7.118 -11.223 89 HG1 THR 12 HG1 THR 12 12.689 -5.467 -11.220 90 1HG2 THR 12 1HG2 THR 12 11.778 -8.131 -13.480 91 2HG2 THR 12 2HG2 THR 12 12.737 -6.643 -13.678 92 3HG2 THR 12 3HG2 THR 12 13.053 -7.731 -12.304 93 H LEU 13 H LEU 13 8.086 -6.566 -11.246 94 HA LEU 13 HA LEU 13 6.616 -4.308 -11.379 95 1HB LEU 13 1HB LEU 13 7.132 -6.375 -9.338 96 2HB LEU 13 2HB LEU 13 6.439 -4.884 -8.732 97 HG LEU 13 HG LEU 13 5.275 -6.779 -10.777 98 1HD1 LEU 13 2HD1 LEU 13 5.073 -6.765 -8.049 99 2HD1 LEU 13 3HD1 LEU 13 3.639 -5.825 -8.527 100 3HD1 LEU 13 1HD1 LEU 13 3.879 -7.468 -9.166 101 1HD2 LEU 13 3HD2 LEU 13 4.553 -3.913 -10.220 102 2HD2 LEU 13 1HD2 LEU 13 4.731 -4.756 -11.777 103 3HD2 LEU 13 2HD2 LEU 13 3.319 -5.084 -10.743 104 H GLU 14 H GLU 14 9.721 -4.795 -9.657 105 HA GLU 14 HA GLU 14 9.625 -2.390 -8.261 106 1HB GLU 14 1HB GLU 14 11.428 -4.591 -8.587 107 2HB GLU 14 2HB GLU 14 12.351 -3.135 -8.902 108 1HG GLU 14 1HG GLU 14 12.557 -3.173 -6.597 109 2HG GLU 14 2HG GLU 14 11.064 -2.261 -6.704 110 H GLU 15 H GLU 15 11.147 -3.316 -11.420 111 HA GLU 15 HA GLU 15 12.346 -0.927 -11.951 112 1HB GLU 15 1HB GLU 15 11.054 -2.908 -13.877 113 2HB GLU 15 2HB GLU 15 12.131 -1.618 -14.378 114 1HG GLU 15 1HG GLU 15 13.211 -3.270 -12.158 115 2HG GLU 15 2HG GLU 15 12.928 -4.178 -13.629 116 H ILE 16 H ILE 16 8.925 -1.920 -12.334 117 HA ILE 16 HA ILE 16 8.216 0.435 -13.787 118 HB ILE 16 HB ILE 16 6.402 -1.496 -12.344 119 1HG1 ILE 16 1HG1 ILE 16 6.814 -1.962 -15.207 120 2HG1 ILE 16 2HG1 ILE 16 8.272 -2.216 -14.267 121 1HG2 ILE 16 1HG2 ILE 16 5.944 0.847 -13.898 122 2HG2 ILE 16 2HG2 ILE 16 5.382 -0.558 -14.834 123 3HG2 ILE 16 3HG2 ILE 16 4.759 -0.275 -13.190 124 1HD1 ILE 16 3HD1 ILE 16 5.902 -3.341 -12.929 125 2HD1 ILE 16 1HD1 ILE 16 6.164 -4.034 -14.547 126 3HD1 ILE 16 2HD1 ILE 16 7.454 -4.117 -13.324 127 H GLN 17 H GLN 17 8.231 -0.651 -10.372 128 HA GLN 17 HA GLN 17 6.679 1.415 -9.386 129 1HB GLN 17 1HB GLN 17 7.755 -0.821 -8.316 130 2HB GLN 17 2HB GLN 17 8.929 0.332 -7.716 131 1HG GLN 17 1HG GLN 17 6.189 1.341 -7.388 132 2HG GLN 17 2HG GLN 17 6.386 -0.218 -6.612 133 1HE2 GLN 17 1HE2 GLN 17 5.984 2.380 -5.420 134 2HE2 GLN 17 2HE2 GLN 17 7.324 2.700 -4.371 135 H LYS 18 H LYS 18 10.105 1.224 -10.328 136 HA LYS 18 HA LYS 18 10.889 3.595 -8.983 137 1HB LYS 18 1HB LYS 18 12.186 2.166 -11.324 138 2HB LYS 18 2HB LYS 18 12.939 3.372 -10.300 139 1HG LYS 18 1HG LYS 18 11.707 0.927 -9.012 140 2HG LYS 18 2HG LYS 18 13.263 0.772 -9.803 141 1HD LYS 18 1HD LYS 18 12.603 2.785 -7.600 142 2HD LYS 18 2HD LYS 18 13.493 1.295 -7.368 143 1HE LYS 18 1HE LYS 18 14.703 2.764 -9.559 144 2HE LYS 18 2HE LYS 18 14.515 3.849 -8.195 145 1HZ LYS 18 1HZ LYS 18 15.491 1.930 -6.870 146 2HZ LYS 18 2HZ LYS 18 15.986 1.331 -8.306 147 3HZ LYS 18 3HZ LYS 18 16.505 2.798 -7.811 148 H HIS 19 H HIS 19 9.329 2.822 -12.072 149 HA HIS 19 HA HIS 19 9.724 5.556 -12.968 150 1HB HIS 19 1HB HIS 19 8.811 3.003 -14.260 151 2HB HIS 19 2HB HIS 19 8.375 4.537 -14.983 152 HD1 HIS 19 HD1 HIS 19 9.895 4.731 -16.969 153 HD2 HIS 19 HD2 HIS 19 11.945 3.558 -13.501 154 HE1 HIS 19 HE1 HIS 19 12.373 4.687 -17.581 155 HE2 HIS 19 HE2 HIS 19 13.584 4.013 -15.398 156 H ASN 20 H ASN 20 8.418 6.751 -11.525 157 HA ASN 20 HA ASN 20 5.592 6.353 -12.027 158 1HB ASN 20 1HB ASN 20 5.885 5.327 -9.842 159 2HB ASN 20 2HB ASN 20 6.939 6.619 -9.299 160 1HD2 ASN 20 1HD2 ASN 20 3.988 6.996 -11.187 161 2HD2 ASN 20 2HD2 ASN 20 3.048 7.830 -9.996 162 H ASN 21 H ASN 21 7.914 8.233 -12.829 163 HA ASN 21 HA ASN 21 6.900 10.687 -11.644 164 1HB ASN 21 1HB ASN 21 9.477 10.111 -13.197 165 2HB ASN 21 2HB ASN 21 9.023 11.701 -12.620 166 1HD2 ASN 21 1HD2 ASN 21 10.341 8.639 -11.855 167 2HD2 ASN 21 2HD2 ASN 21 10.685 8.892 -10.177 168 H SER 22 H SER 22 6.811 12.609 -13.274 169 HA SER 22 HA SER 22 5.223 11.870 -15.429 170 1HB SER 22 1HB SER 22 6.635 14.481 -14.741 171 2HB SER 22 2HB SER 22 5.523 14.330 -16.086 172 HG SER 22 HG SER 22 4.028 14.790 -14.619 173 H LYS 23 H LYS 23 8.603 11.714 -15.003 174 HA LYS 23 HA LYS 23 9.125 12.112 -17.853 175 1HB LYS 23 1HB LYS 23 10.778 12.260 -15.365 176 2HB LYS 23 2HB LYS 23 11.571 11.766 -16.848 177 1HG LYS 23 1HG LYS 23 10.688 13.813 -17.996 178 2HG LYS 23 2HG LYS 23 9.912 14.311 -16.505 179 1HD LYS 23 1HD LYS 23 12.080 14.506 -15.368 180 2HD LYS 23 2HD LYS 23 12.915 13.819 -16.744 181 1HE LYS 23 1HE LYS 23 12.669 15.759 -18.050 182 2HE LYS 23 2HE LYS 23 11.220 16.272 -17.210 183 1HZ LYS 23 2HZ LYS 23 13.177 16.240 -15.314 184 2HZ LYS 23 3HZ LYS 23 13.899 16.887 -16.627 185 3HZ LYS 23 1HZ LYS 23 12.537 17.561 -16.030 186 H SER 24 H SER 24 8.637 9.704 -15.377 187 HA SER 24 HA SER 24 9.164 7.696 -17.377 188 1HB SER 24 1HB SER 24 10.851 8.144 -15.023 189 2HB SER 24 2HB SER 24 10.155 6.535 -14.998 190 HG SER 24 HG SER 24 10.909 6.691 -17.468 191 H THR 25 H THR 25 6.697 7.998 -17.171 192 HA THR 25 HA THR 25 5.604 6.796 -14.745 193 HB THR 25 HB THR 25 3.767 7.635 -16.916 194 HG1 THR 25 HG1 THR 25 5.778 9.364 -15.655 195 1HG2 THR 25 2HG2 THR 25 4.096 7.914 -13.973 196 2HG2 THR 25 3HG2 THR 25 3.496 9.390 -14.768 197 3HG2 THR 25 1HG2 THR 25 2.602 7.861 -14.941 198 H TRP 26 H TRP 26 6.031 4.619 -14.799 199 HA TRP 26 HA TRP 26 5.028 3.224 -17.185 200 1HB TRP 26 1HB TRP 26 7.213 2.483 -15.235 201 2HB TRP 26 2HB TRP 26 6.522 1.357 -16.384 202 HD1 TRP 26 HD1 TRP 26 7.189 4.993 -17.474 203 HE1 TRP 26 HE1 TRP 26 9.091 5.112 -19.300 204 HE3 TRP 26 HE3 TRP 26 8.527 0.098 -17.153 205 HZ2 TRP 26 HZ2 TRP 26 10.900 3.188 -20.380 206 HZ3 TRP 26 HZ3 TRP 26 10.370 -0.700 -18.627 207 HH2 TRP 26 HH2 TRP 26 11.544 0.756 -20.201 208 H LEU 27 H LEU 27 3.663 1.370 -16.814 209 HA LEU 27 HA LEU 27 2.948 0.725 -14.104 210 1HB LEU 27 1HB LEU 27 0.784 1.473 -14.056 211 2HB LEU 27 2HB LEU 27 1.637 2.815 -14.793 212 HG LEU 27 HG LEU 27 -0.253 2.683 -16.099 213 1HD1 LEU 27 3HD1 LEU 27 2.046 2.236 -17.349 214 2HD1 LEU 27 1HD1 LEU 27 1.228 0.714 -17.783 215 3HD1 LEU 27 2HD1 LEU 27 0.492 2.276 -18.215 216 1HD2 LEU 27 3HD2 LEU 27 -0.448 0.054 -15.078 217 2HD2 LEU 27 1HD2 LEU 27 -1.667 0.979 -15.986 218 3HD2 LEU 27 2HD2 LEU 27 -0.523 -0.074 -16.852 219 H ILE 28 H ILE 28 1.045 -1.003 -14.240 220 HA ILE 28 HA ILE 28 1.696 -2.703 -16.547 221 HB ILE 28 HB ILE 28 0.647 -3.945 -14.086 222 1HG1 ILE 28 1HG1 ILE 28 2.283 -2.102 -13.339 223 2HG1 ILE 28 2HG1 ILE 28 2.530 -3.731 -12.739 224 1HG2 ILE 28 1HG2 ILE 28 2.442 -4.588 -16.356 225 2HG2 ILE 28 2HG2 ILE 28 2.825 -5.358 -14.798 226 3HG2 ILE 28 3HG2 ILE 28 1.219 -5.583 -15.531 227 1HD1 ILE 28 3HD1 ILE 28 3.904 -2.960 -15.310 228 2HD1 ILE 28 1HD1 ILE 28 4.550 -2.322 -13.779 229 3HD1 ILE 28 2HD1 ILE 28 4.437 -4.080 -14.034 230 H LEU 29 H LEU 29 0.026 -3.545 -17.764 231 HA LEU 29 HA LEU 29 -2.680 -3.099 -16.756 232 1HB LEU 29 1HB LEU 29 -1.539 -1.373 -18.543 233 2HB LEU 29 2HB LEU 29 -2.312 -2.523 -19.615 234 HG LEU 29 HG LEU 29 -3.531 -0.596 -17.684 235 1HD1 LEU 29 3HD1 LEU 29 -3.308 -0.224 -20.180 236 2HD1 LEU 29 1HD1 LEU 29 -4.516 -1.516 -20.390 237 3HD1 LEU 29 2HD1 LEU 29 -4.941 -0.035 -19.499 238 1HD2 LEU 29 1HD2 LEU 29 -4.637 -3.322 -18.312 239 2HD2 LEU 29 2HD2 LEU 29 -4.570 -2.453 -16.760 240 3HD2 LEU 29 3HD2 LEU 29 -5.722 -1.942 -18.016 241 H HIS 30 H HIS 30 -3.663 -5.040 -16.720 242 HA HIS 30 HA HIS 30 -4.414 -6.991 -17.423 243 1HB HIS 30 1HB HIS 30 -4.314 -5.814 -19.734 244 2HB HIS 30 2HB HIS 30 -2.877 -6.779 -20.009 245 HD1 HIS 30 HD1 HIS 30 -4.030 -9.390 -18.493 246 HD2 HIS 30 HD2 HIS 30 -5.912 -7.215 -21.546 247 HE1 HIS 30 HE1 HIS 30 -5.687 -10.988 -19.592 248 HE2 HIS 30 HE2 HIS 30 -6.852 -9.580 -21.423 249 H TYR 31 H TYR 31 -0.972 -6.440 -18.428 250 HA TYR 31 HA TYR 31 0.138 -8.090 -16.542 251 1HB TYR 31 1HB TYR 31 0.655 -9.953 -18.479 252 2HB TYR 31 2HB TYR 31 -0.736 -10.105 -17.422 253 HD1 TYR 31 HD1 TYR 31 -2.141 -11.340 -18.916 254 HD2 TYR 31 HD2 TYR 31 -0.467 -7.601 -20.149 255 HE1 TYR 31 HE1 TYR 31 -3.676 -11.311 -20.941 256 HE2 TYR 31 HE2 TYR 31 -2.009 -7.585 -22.171 257 HH TYR 31 HH TYR 31 -4.248 -8.586 -22.731 258 H LYS 32 H LYS 32 0.155 -6.055 -19.209 259 HA LYS 32 HA LYS 32 3.030 -6.464 -19.635 260 1HB LYS 32 1HB LYS 32 0.889 -5.273 -21.415 261 2HB LYS 32 2HB LYS 32 2.603 -5.110 -21.739 262 1HG LYS 32 1HG LYS 32 2.880 -7.379 -22.221 263 2HG LYS 32 2HG LYS 32 1.579 -7.879 -21.158 264 1HD LYS 32 1HD LYS 32 -0.105 -7.348 -22.740 265 2HD LYS 32 2HD LYS 32 0.927 -6.238 -23.618 266 1HE LYS 32 1HE LYS 32 1.461 -7.910 -25.052 267 2HE LYS 32 2HE LYS 32 2.254 -8.755 -23.738 268 1HZ LYS 32 2HZ LYS 32 -0.642 -8.927 -24.013 269 2HZ LYS 32 3HZ LYS 32 0.317 -9.860 -24.950 270 3HZ LYS 32 1HZ LYS 32 0.389 -9.989 -23.323 271 H VAL 33 H VAL 33 4.264 -4.357 -20.050 272 HA VAL 33 HA VAL 33 3.316 -2.396 -18.085 273 HB VAL 33 HB VAL 33 5.379 -3.486 -17.483 274 1HG1 VAL 33 2HG1 VAL 33 6.026 -3.058 -20.331 275 2HG1 VAL 33 3HG1 VAL 33 7.361 -2.708 -19.207 276 3HG1 VAL 33 1HG1 VAL 33 6.588 -4.311 -19.198 277 1HG2 VAL 33 2HG2 VAL 33 5.750 -0.629 -18.436 278 2HG2 VAL 33 3HG2 VAL 33 5.227 -1.181 -16.826 279 3HG2 VAL 33 1HG2 VAL 33 6.895 -1.483 -17.374 280 H TYR 34 H TYR 34 2.706 -0.410 -18.785 281 HA TYR 34 HA TYR 34 3.432 0.273 -21.555 282 1HB TYR 34 1HB TYR 34 1.126 1.216 -19.743 283 2HB TYR 34 2HB TYR 34 1.268 1.539 -21.460 284 HD1 TYR 34 HD1 TYR 34 0.005 0.238 -22.906 285 HD2 TYR 34 HD2 TYR 34 1.169 -1.413 -19.136 286 HE1 TYR 34 HE1 TYR 34 -1.335 -1.864 -23.406 287 HE2 TYR 34 HE2 TYR 34 -0.175 -3.510 -19.648 288 HH TYR 34 HH TYR 34 -1.639 -3.986 -22.803 289 H ASP 35 H ASP 35 3.972 2.487 -22.034 290 HA ASP 35 HA ASP 35 5.238 3.735 -19.778 291 1HB ASP 35 1HB ASP 35 5.658 3.606 -22.633 292 2HB ASP 35 2HB ASP 35 5.459 5.293 -22.203 293 H LEU 36 H LEU 36 3.381 4.621 -18.629 294 HA LEU 36 HA LEU 36 1.271 5.954 -19.807 295 1HB LEU 36 1HB LEU 36 2.542 6.093 -17.084 296 2HB LEU 36 2HB LEU 36 1.156 7.084 -17.498 297 HG LEU 36 HG LEU 36 1.329 4.090 -17.243 298 1HD1 LEU 36 2HD1 LEU 36 0.317 6.236 -15.651 299 2HD1 LEU 36 3HD1 LEU 36 -1.046 5.210 -16.158 300 3HD1 LEU 36 1HD1 LEU 36 0.339 4.491 -15.302 301 1HD2 LEU 36 3HD2 LEU 36 -0.556 5.665 -18.954 302 2HD2 LEU 36 1HD2 LEU 36 0.176 4.065 -19.225 303 3HD2 LEU 36 2HD2 LEU 36 -1.164 4.246 -18.069 304 H THR 37 H THR 37 4.593 7.003 -19.108 305 HA THR 37 HA THR 37 4.258 9.746 -19.182 306 HB THR 37 HB THR 37 6.402 7.732 -19.509 307 HG1 THR 37 HG1 THR 37 7.388 9.594 -18.263 308 1HG2 THR 37 3HG2 THR 37 6.630 10.487 -20.830 309 2HG2 THR 37 1HG2 THR 37 8.025 9.474 -20.388 310 3HG2 THR 37 2HG2 THR 37 6.875 8.913 -21.624 311 H LYS 38 H LYS 38 3.844 7.388 -21.736 312 HA LYS 38 HA LYS 38 4.064 9.449 -23.771 313 1HB LYS 38 1HB LYS 38 3.924 6.462 -23.736 314 2HB LYS 38 2HB LYS 38 3.341 7.293 -25.164 315 1HG LYS 38 1HG LYS 38 5.457 8.291 -25.608 316 2HG LYS 38 2HG LYS 38 6.024 8.051 -23.968 317 1HD LYS 38 1HD LYS 38 5.508 5.442 -24.759 318 2HD LYS 38 2HD LYS 38 6.031 6.163 -26.268 319 1HE LYS 38 1HE LYS 38 8.154 6.835 -25.335 320 2HE LYS 38 2HE LYS 38 7.612 6.554 -23.694 321 1HZ LYS 38 2HZ LYS 38 7.363 4.185 -24.355 322 2HZ LYS 38 3HZ LYS 38 8.135 4.532 -25.750 323 3HZ LYS 38 1HZ LYS 38 8.903 4.727 -24.321 324 H PHE 39 H PHE 39 1.674 7.640 -21.876 325 HA PHE 39 HA PHE 39 -0.453 8.775 -23.525 326 1HB PHE 39 1HB PHE 39 -0.332 6.288 -22.896 327 2HB PHE 39 2HB PHE 39 -0.440 6.749 -21.208 328 HD1 PHE 39 HD1 PHE 39 -2.467 5.743 -20.587 329 HD2 PHE 39 HD2 PHE 39 -2.349 8.220 -24.032 330 HE1 PHE 39 HE1 PHE 39 -4.972 5.666 -20.728 331 HE2 PHE 39 HE2 PHE 39 -4.853 8.143 -24.171 332 HZ PHE 39 HZ PHE 39 -6.135 6.866 -22.518 333 H LEU 40 H LEU 40 1.383 10.087 -21.314 334 HA LEU 40 HA LEU 40 -0.296 10.639 -19.136 335 1HB LEU 40 1HB LEU 40 2.265 11.618 -20.231 336 2HB LEU 40 2HB LEU 40 1.389 12.762 -19.233 337 HG LEU 40 HG LEU 40 2.451 10.044 -18.459 338 1HD1 LEU 40 3HD1 LEU 40 3.151 12.871 -17.885 339 2HD1 LEU 40 1HD1 LEU 40 3.268 11.724 -16.529 340 3HD1 LEU 40 2HD1 LEU 40 4.185 11.429 -18.025 341 1HD2 LEU 40 3HD2 LEU 40 0.120 11.450 -17.382 342 2HD2 LEU 40 1HD2 LEU 40 0.664 9.772 -17.150 343 3HD2 LEU 40 2HD2 LEU 40 1.352 11.076 -16.154 344 H GLU 41 H GLU 41 0.589 12.710 -21.994 345 HA GLU 41 HA GLU 41 -1.038 14.776 -21.501 346 1HB GLU 41 1HB GLU 41 0.147 13.543 -23.911 347 2HB GLU 41 2HB GLU 41 -1.295 14.473 -24.264 348 1HG GLU 41 1HG GLU 41 0.090 16.112 -22.453 349 2HG GLU 41 2HG GLU 41 1.374 15.407 -23.416 350 H GLU 42 H GLU 42 -1.986 11.992 -23.657 351 HA GLU 42 HA GLU 42 -4.594 12.704 -23.927 352 1HB GLU 42 1HB GLU 42 -3.201 10.009 -23.955 353 2HB GLU 42 2HB GLU 42 -4.925 10.127 -24.242 354 1HG GLU 42 1HG GLU 42 -4.551 10.750 -26.386 355 2HG GLU 42 2HG GLU 42 -3.655 12.155 -25.843 356 H HIS 43 H HIS 43 -6.340 10.743 -23.072 357 HA HIS 43 HA HIS 43 -7.355 9.810 -21.324 358 1HB HIS 43 1HB HIS 43 -4.921 9.594 -20.374 359 2HB HIS 43 2HB HIS 43 -5.391 10.930 -19.342 360 HD1 HIS 43 HD1 HIS 43 -7.575 10.476 -17.773 361 HD2 HIS 43 HD2 HIS 43 -5.794 7.113 -19.538 362 HE1 HIS 43 HE1 HIS 43 -8.433 8.452 -16.479 363 HE2 HIS 43 HE2 HIS 43 -7.347 6.411 -17.644 364 HA PRO 44 HA PRO 44 -9.626 13.379 -20.355 365 1HB PRO 44 1HB PRO 44 -11.762 12.208 -19.118 366 2HB PRO 44 2HB PRO 44 -11.612 12.331 -20.859 367 1HG PRO 44 1HG PRO 44 -11.238 9.963 -19.128 368 2HG PRO 44 2HG PRO 44 -11.512 10.026 -20.859 369 1HD PRO 44 1HD PRO 44 -9.017 9.536 -19.530 370 2HD PRO 44 2HD PRO 44 -9.270 9.715 -21.256 371 H GLY 45 H GLY 45 -9.369 11.010 -17.753 372 1HA GLY 45 2HA GLY 45 -8.814 11.280 -15.592 373 2HA GLY 45 1HA GLY 45 -9.862 12.682 -15.624 374 H GLY 46 H GLY 46 -6.950 12.395 -17.682 375 1HA GLY 46 2HA GLY 46 -5.646 14.450 -15.997 376 2HA GLY 46 1HA GLY 46 -5.660 14.505 -17.749 377 H GLU 47 H GLU 47 -3.237 14.505 -16.280 378 HA GLU 47 HA GLU 47 -2.077 12.144 -17.397 379 1HB GLU 47 1HB GLU 47 -0.893 14.579 -16.000 380 2HB GLU 47 2HB GLU 47 0.087 13.253 -16.597 381 1HG GLU 47 1HG GLU 47 -0.105 13.937 -18.766 382 2HG GLU 47 2HG GLU 47 -1.832 14.197 -18.625 383 H GLU 48 H GLU 48 -2.531 13.649 -14.145 384 HA GLU 48 HA GLU 48 -1.050 11.941 -12.661 385 1HB GLU 48 1HB GLU 48 -3.050 13.914 -12.207 386 2HB GLU 48 2HB GLU 48 -3.562 12.505 -11.301 387 1HG GLU 48 1HG GLU 48 -1.647 12.500 -9.938 388 2HG GLU 48 2HG GLU 48 -0.661 13.319 -11.134 389 H VAL 49 H VAL 49 -4.511 11.549 -13.679 390 HA VAL 49 HA VAL 49 -5.246 9.322 -12.418 391 HB VAL 49 HB VAL 49 -6.548 10.597 -14.077 392 1HG1 VAL 49 3HG1 VAL 49 -4.458 10.177 -15.792 393 2HG1 VAL 49 1HG1 VAL 49 -5.638 8.978 -16.373 394 3HG1 VAL 49 2HG1 VAL 49 -6.088 10.697 -16.283 395 1HG2 VAL 49 1HG2 VAL 49 -6.741 7.908 -13.427 396 2HG2 VAL 49 2HG2 VAL 49 -8.002 8.895 -14.206 397 3HG2 VAL 49 3HG2 VAL 49 -6.896 7.915 -15.200 398 H LEU 50 H LEU 50 -2.711 9.593 -14.889 399 HA LEU 50 HA LEU 50 -2.446 6.689 -14.942 400 1HB LEU 50 1HB LEU 50 -0.975 8.766 -16.563 401 2HB LEU 50 2HB LEU 50 -0.981 7.033 -16.816 402 HG LEU 50 HG LEU 50 -3.683 7.733 -16.921 403 1HD1 LEU 50 3HD1 LEU 50 -2.924 10.122 -17.021 404 2HD1 LEU 50 1HD1 LEU 50 -2.130 9.740 -18.568 405 3HD1 LEU 50 2HD1 LEU 50 -3.896 9.583 -18.412 406 1HD2 LEU 50 1HD2 LEU 50 -2.501 6.045 -18.277 407 2HD2 LEU 50 2HD2 LEU 50 -3.522 7.121 -19.261 408 3HD2 LEU 50 3HD2 LEU 50 -1.757 7.352 -19.230 409 H ARG 51 H ARG 51 -0.772 9.710 -13.960 410 HA ARG 51 HA ARG 51 1.617 8.479 -13.295 411 1HB ARG 51 1HB ARG 51 0.930 11.033 -13.510 412 2HB ARG 51 2HB ARG 51 0.549 10.901 -11.805 413 1HG ARG 51 1HG ARG 51 3.193 9.759 -12.579 414 2HG ARG 51 2HG ARG 51 3.053 11.490 -12.802 415 1HD ARG 51 1HD ARG 51 1.929 10.571 -10.219 416 2HD ARG 51 2HD ARG 51 3.635 10.203 -10.389 417 HE ARG 51 HE ARG 51 3.385 12.857 -11.257 418 1HH1 ARG 51 2HH1 ARG 51 3.722 14.663 -9.898 419 2HH1 ARG 51 1HH1 ARG 51 3.532 14.504 -8.184 420 1HH2 ARG 51 2HH2 ARG 51 2.681 11.088 -8.298 421 2HH2 ARG 51 1HH2 ARG 51 2.936 12.456 -7.267 422 H GLU 52 H GLU 52 -1.396 9.180 -11.435 423 HA GLU 52 HA GLU 52 -0.417 8.469 -8.951 424 1HB GLU 52 1HB GLU 52 -2.781 8.294 -8.291 425 2HB GLU 52 2HB GLU 52 -2.537 9.697 -9.313 426 1HG GLU 52 1HG GLU 52 -3.774 8.824 -11.056 427 2HG GLU 52 2HG GLU 52 -3.214 7.187 -10.777 428 H GLN 53 H GLN 53 -1.179 6.547 -11.754 429 HA GLN 53 HA GLN 53 -1.367 4.165 -10.101 430 1HB GLN 53 1HB GLN 53 -2.109 3.046 -12.222 431 2HB GLN 53 2HB GLN 53 -3.154 4.367 -11.735 432 1HG GLN 53 1HG GLN 53 -1.941 5.892 -13.325 433 2HG GLN 53 2HG GLN 53 -0.938 4.547 -13.833 434 1HE2 GLN 53 1HE2 GLN 53 -4.073 6.018 -13.921 435 2HE2 GLN 53 2HE2 GLN 53 -4.794 5.027 -15.144 436 H ALA 54 H ALA 54 0.750 5.994 -12.196 437 HA ALA 54 HA ALA 54 2.347 3.933 -13.190 438 1HB ALA 54 1HB ALA 54 2.696 6.883 -12.648 439 2HB ALA 54 2HB ALA 54 4.076 5.904 -13.197 440 3HB ALA 54 3HB ALA 54 2.614 6.025 -14.205 441 H GLY 55 H GLY 55 3.917 2.663 -12.289 442 1HA GLY 55 2HA GLY 55 4.788 3.366 -9.551 443 2HA GLY 55 1HA GLY 55 5.787 2.562 -10.744 444 H GLY 56 H GLY 56 3.010 1.152 -11.547 445 1HA GLY 56 2HA GLY 56 2.366 -0.521 -9.351 446 2HA GLY 56 1HA GLY 56 3.534 -1.314 -10.389 447 H ASP 57 H ASP 57 1.282 -2.673 -10.346 448 HA ASP 57 HA ASP 57 0.355 -2.494 -12.968 449 1HB ASP 57 1HB ASP 57 -0.036 -4.648 -12.347 450 2HB ASP 57 2HB ASP 57 0.040 -4.237 -10.645 451 H ALA 58 H ALA 58 -1.379 -1.286 -13.781 452 HA ALA 58 HA ALA 58 -3.036 0.108 -11.815 453 1HB ALA 58 2HB ALA 58 -1.621 1.103 -13.888 454 2HB ALA 58 3HB ALA 58 -3.148 0.747 -14.730 455 3HB ALA 58 1HB ALA 58 -3.142 1.834 -13.321 456 H THR 59 H THR 59 -3.004 -2.550 -14.036 457 HA THR 59 HA THR 59 -5.535 -2.591 -15.075 458 HB THR 59 HB THR 59 -3.339 -4.269 -14.971 459 HG1 THR 59 HG1 THR 59 -6.105 -5.023 -15.578 460 1HG2 THR 59 1HG2 THR 59 -5.654 -5.535 -13.421 461 2HG2 THR 59 2HG2 THR 59 -4.409 -6.490 -14.260 462 3HG2 THR 59 3HG2 THR 59 -3.952 -5.424 -12.909 463 H GLU 60 H GLU 60 -4.538 -3.937 -11.856 464 HA GLU 60 HA GLU 60 -6.841 -4.899 -11.003 465 1HB GLU 60 1HB GLU 60 -6.155 -4.029 -8.675 466 2HB GLU 60 2HB GLU 60 -4.980 -5.005 -9.532 467 1HG GLU 60 1HG GLU 60 -3.486 -3.311 -9.366 468 2HG GLU 60 2HG GLU 60 -4.513 -2.327 -10.390 469 H ASN 61 H ASN 61 -6.135 -1.490 -11.626 470 HA ASN 61 HA ASN 61 -8.574 -0.700 -10.303 471 1HB ASN 61 1HB ASN 61 -6.071 0.558 -10.821 472 2HB ASN 61 2HB ASN 61 -7.216 1.406 -11.840 473 1HD2 ASN 61 1HD2 ASN 61 -9.302 2.028 -10.790 474 2HD2 ASN 61 2HD2 ASN 61 -9.251 2.649 -9.174 475 H PHE 62 H PHE 62 -6.907 -0.373 -13.535 476 HA PHE 62 HA PHE 62 -8.855 0.771 -14.997 477 1HB PHE 62 1HB PHE 62 -7.150 0.259 -16.476 478 2HB PHE 62 2HB PHE 62 -6.497 -0.898 -15.335 479 HD1 PHE 62 HD1 PHE 62 -7.317 -3.272 -15.402 480 HD2 PHE 62 HD2 PHE 62 -8.304 -0.455 -18.418 481 HE1 PHE 62 HE1 PHE 62 -7.940 -5.147 -16.950 482 HE2 PHE 62 HE2 PHE 62 -8.926 -2.329 -19.966 483 HZ PHE 62 HZ PHE 62 -8.737 -4.654 -19.213 484 H GLU 63 H GLU 63 -8.926 -2.423 -13.538 485 HA GLU 63 HA GLU 63 -10.892 -3.436 -15.316 486 1HB GLU 63 1HB GLU 63 -9.414 -4.377 -12.917 487 2HB GLU 63 2HB GLU 63 -11.032 -5.033 -13.066 488 1HG GLU 63 1HG GLU 63 -9.716 -5.064 -15.668 489 2HG GLU 63 2HG GLU 63 -8.692 -5.846 -14.480 490 H ASP 64 H ASP 64 -10.848 -2.111 -11.946 491 HA ASP 64 HA ASP 64 -13.516 -2.507 -11.424 492 1HB ASP 64 1HB ASP 64 -12.251 -1.875 -9.557 493 2HB ASP 64 2HB ASP 64 -11.373 -0.638 -10.435 494 H VAL 65 H VAL 65 -11.785 -0.137 -13.409 495 HA VAL 65 HA VAL 65 -14.126 1.587 -13.578 496 HB VAL 65 HB VAL 65 -12.479 3.075 -13.544 497 1HG1 VAL 65 1HG1 VAL 65 -10.592 0.845 -14.363 498 2HG1 VAL 65 2HG1 VAL 65 -10.075 2.514 -14.024 499 3HG1 VAL 65 3HG1 VAL 65 -10.824 1.536 -12.738 500 1HG2 VAL 65 3HG2 VAL 65 -11.963 2.027 -16.349 501 2HG2 VAL 65 1HG2 VAL 65 -13.146 3.271 -15.878 502 3HG2 VAL 65 2HG2 VAL 65 -11.403 3.594 -15.715 503 H GLY 66 H GLY 66 -13.312 -1.319 -14.824 504 1HA GLY 66 2HA GLY 66 -15.085 -1.656 -16.724 505 2HA GLY 66 1HA GLY 66 -13.468 -2.313 -16.886 506 H HIS 67 H HIS 67 -11.756 -0.801 -17.873 507 HA HIS 67 HA HIS 67 -12.582 1.443 -19.325 508 1HB HIS 67 1HB HIS 67 -10.144 -0.209 -19.052 509 2HB HIS 67 2HB HIS 67 -10.302 0.624 -20.587 510 HD1 HIS 67 HD1 HIS 67 -11.815 3.178 -19.207 511 HD2 HIS 67 HD2 HIS 67 -8.107 1.517 -18.160 512 HE1 HIS 67 HE1 HIS 67 -10.512 5.025 -18.023 513 HE2 HIS 67 HE2 HIS 67 -8.264 3.928 -17.355 514 H SER 68 H SER 68 -12.155 1.514 -21.852 515 HA SER 68 HA SER 68 -13.880 -0.547 -22.907 516 1HB SER 68 1HB SER 68 -14.437 0.961 -24.617 517 2HB SER 68 2HB SER 68 -14.162 2.030 -23.256 518 HG SER 68 HG SER 68 -13.057 2.852 -25.087 519 H THR 69 H THR 69 -13.334 -1.589 -25.028 520 HA THR 69 HA THR 69 -10.816 -2.732 -25.026 521 HB THR 69 HB THR 69 -11.566 -3.300 -27.473 522 HG1 THR 69 HG1 THR 69 -13.880 -2.627 -27.699 523 1HG2 THR 69 3HG2 THR 69 -13.407 -3.800 -25.078 524 2HG2 THR 69 1HG2 THR 69 -13.615 -4.590 -26.660 525 3HG2 THR 69 2HG2 THR 69 -12.147 -4.892 -25.702 526 H ASP 70 H ASP 70 -11.933 0.320 -26.460 527 HA ASP 70 HA ASP 70 -9.821 0.633 -28.218 528 1HB ASP 70 1HB ASP 70 -11.887 2.013 -28.240 529 2HB ASP 70 2HB ASP 70 -11.454 2.715 -26.696 530 H ALA 71 H ALA 71 -10.402 1.856 -24.836 531 HA ALA 71 HA ALA 71 -8.085 3.268 -24.475 532 1HB ALA 71 3HB ALA 71 -8.571 2.098 -22.007 533 2HB ALA 71 1HB ALA 71 -9.364 3.563 -22.634 534 3HB ALA 71 2HB ALA 71 -10.150 1.978 -22.820 535 H ARG 72 H ARG 72 -8.689 -0.267 -23.934 536 HA ARG 72 HA ARG 72 -6.145 -0.798 -23.011 537 1HB ARG 72 1HB ARG 72 -7.940 -2.703 -24.592 538 2HB ARG 72 2HB ARG 72 -6.697 -3.159 -23.443 539 1HG ARG 72 1HG ARG 72 -7.974 -2.016 -21.614 540 2HG ARG 72 2HG ARG 72 -9.217 -1.569 -22.764 541 1HD ARG 72 1HD ARG 72 -8.687 -4.432 -22.962 542 2HD ARG 72 2HD ARG 72 -9.017 -4.007 -21.293 543 HE ARG 72 HE ARG 72 -10.940 -2.689 -22.953 544 1HH1 ARG 72 2HH1 ARG 72 -13.069 -3.499 -23.143 545 2HH1 ARG 72 1HH1 ARG 72 -13.404 -5.151 -22.745 546 1HH2 ARG 72 2HH2 ARG 72 -10.081 -5.927 -21.876 547 2HH2 ARG 72 1HH2 ARG 72 -11.693 -6.541 -22.019 548 H GLU 73 H GLU 73 -7.515 -0.488 -26.292 549 HA GLU 73 HA GLU 73 -5.371 -1.731 -27.603 550 1HB GLU 73 1HB GLU 73 -7.696 0.006 -28.411 551 2HB GLU 73 2HB GLU 73 -6.398 -0.221 -29.568 552 1HG GLU 73 1HG GLU 73 -6.713 -2.592 -29.643 553 2HG GLU 73 2HG GLU 73 -7.631 -2.610 -28.151 554 H LEU 74 H LEU 74 -6.248 1.730 -26.969 555 HA LEU 74 HA LEU 74 -4.142 2.896 -28.305 556 1HB LEU 74 1HB LEU 74 -4.992 4.778 -27.499 557 2HB LEU 74 2HB LEU 74 -6.276 3.756 -26.884 558 HG LEU 74 HG LEU 74 -4.385 3.649 -24.860 559 1HD1 LEU 74 1HD1 LEU 74 -3.292 5.582 -26.241 560 2HD1 LEU 74 2HD1 LEU 74 -4.579 6.571 -25.511 561 3HD1 LEU 74 3HD1 LEU 74 -3.422 5.704 -24.471 562 1HD2 LEU 74 2HD2 LEU 74 -7.047 4.708 -25.309 563 2HD2 LEU 74 3HD2 LEU 74 -6.346 3.951 -23.859 564 3HD2 LEU 74 1HD2 LEU 74 -6.142 5.697 -24.139 565 H SER 75 H SER 75 -4.287 1.372 -25.066 566 HA SER 75 HA SER 75 -1.792 2.300 -24.242 567 1HB SER 75 1HB SER 75 -2.518 -0.325 -23.148 568 2HB SER 75 2HB SER 75 -2.325 1.208 -22.324 569 HG SER 75 HG SER 75 -4.667 0.191 -23.670 570 H LYS 76 H LYS 76 -2.903 -0.520 -26.149 571 HA LYS 76 HA LYS 76 -0.580 -2.038 -26.019 572 1HB LYS 76 1HB LYS 76 -1.758 -3.421 -27.317 573 2HB LYS 76 2HB LYS 76 -3.073 -2.271 -27.172 574 1HG LYS 76 1HG LYS 76 -2.103 -1.050 -29.208 575 2HG LYS 76 2HG LYS 76 -0.985 -2.385 -29.395 576 1HD LYS 76 1HD LYS 76 -2.591 -3.779 -30.247 577 2HD LYS 76 2HD LYS 76 -3.789 -3.278 -29.071 578 1HE LYS 76 1HE LYS 76 -4.704 -1.723 -30.481 579 2HE LYS 76 2HE LYS 76 -3.139 -1.134 -31.001 580 1HZ LYS 76 2HZ LYS 76 -3.608 -3.742 -31.959 581 2HZ LYS 76 3HZ LYS 76 -4.812 -2.737 -32.417 582 3HZ LYS 76 1HZ LYS 76 -3.264 -2.383 -32.797 583 H THR 77 H THR 77 -1.209 1.043 -27.489 584 HA THR 77 HA THR 77 0.978 0.754 -29.387 585 HB THR 77 HB THR 77 0.056 2.690 -30.375 586 HG1 THR 77 HG1 THR 77 -1.112 4.210 -28.941 587 1HG2 THR 77 1HG2 THR 77 -1.798 0.808 -29.855 588 2HG2 THR 77 2HG2 THR 77 -2.436 2.073 -28.776 589 3HG2 THR 77 3HG2 THR 77 -2.270 2.391 -30.519 590 H PHE 78 H PHE 78 0.436 1.741 -26.107 591 HA PHE 78 HA PHE 78 2.898 3.318 -26.158 592 1HB PHE 78 1HB PHE 78 0.510 2.933 -24.279 593 2HB PHE 78 2HB PHE 78 1.970 3.698 -23.689 594 HD1 PHE 78 HD1 PHE 78 2.803 5.400 -25.892 595 HD2 PHE 78 HD2 PHE 78 -1.107 4.573 -24.463 596 HE1 PHE 78 HE1 PHE 78 2.009 7.606 -26.788 597 HE2 PHE 78 HE2 PHE 78 -1.900 6.779 -25.360 598 HZ PHE 78 HZ PHE 78 -0.333 8.269 -26.511 599 H ILE 79 H ILE 79 1.878 0.142 -25.699 600 HA ILE 79 HA ILE 79 3.098 -0.629 -23.342 601 HB ILE 79 HB ILE 79 2.250 -1.933 -25.863 602 1HG1 ILE 79 1HG1 ILE 79 1.609 -2.055 -22.943 603 2HG1 ILE 79 2HG1 ILE 79 0.540 -1.866 -24.318 604 1HG2 ILE 79 1HG2 ILE 79 4.499 -2.887 -25.501 605 2HG2 ILE 79 2HG2 ILE 79 4.009 -3.376 -23.860 606 3HG2 ILE 79 3HG2 ILE 79 3.199 -4.083 -25.279 607 1HD1 ILE 79 2HD1 ILE 79 2.039 -4.428 -23.595 608 2HD1 ILE 79 3HD1 ILE 79 0.308 -4.119 -23.310 609 3HD1 ILE 79 1HD1 ILE 79 0.930 -4.231 -24.974 610 H ILE 80 H ILE 80 5.178 -0.893 -22.673 611 HA ILE 80 HA ILE 80 7.228 -0.408 -24.715 612 HB ILE 80 HB ILE 80 8.580 0.050 -22.513 613 1HG1 ILE 80 1HG1 ILE 80 5.930 1.026 -21.510 614 2HG1 ILE 80 2HG1 ILE 80 6.371 -0.646 -21.226 615 1HG2 ILE 80 3HG2 ILE 80 8.129 1.637 -24.355 616 2HG2 ILE 80 1HG2 ILE 80 6.574 2.048 -23.593 617 3HG2 ILE 80 2HG2 ILE 80 8.101 2.409 -22.751 618 1HD1 ILE 80 2HD1 ILE 80 8.572 1.260 -20.665 619 2HD1 ILE 80 3HD1 ILE 80 7.138 1.484 -19.635 620 3HD1 ILE 80 1HD1 ILE 80 7.962 -0.093 -19.683 621 H GLY 81 H GLY 81 6.011 -2.602 -22.201 622 1HA GLY 81 2HA GLY 81 8.176 -4.228 -21.747 623 2HA GLY 81 1HA GLY 81 7.525 -4.772 -23.281 624 H GLU 82 H GLU 82 7.569 -6.105 -20.570 625 HA GLU 82 HA GLU 82 4.817 -6.070 -19.789 626 1HB GLU 82 1HB GLU 82 5.793 -8.812 -20.489 627 2HB GLU 82 2HB GLU 82 4.166 -8.163 -20.532 628 1HG GLU 82 1HG GLU 82 4.734 -6.839 -22.568 629 2HG GLU 82 2HG GLU 82 6.376 -7.451 -22.519 630 H LEU 83 H LEU 83 4.452 -7.456 -17.812 631 HA LEU 83 HA LEU 83 6.669 -7.186 -16.065 632 1HB LEU 83 1HB LEU 83 4.256 -6.865 -15.492 633 2HB LEU 83 2HB LEU 83 4.042 -8.600 -15.607 634 HG LEU 83 HG LEU 83 4.619 -8.810 -13.478 635 1HD1 LEU 83 1HD1 LEU 83 7.236 -7.553 -14.330 636 2HD1 LEU 83 2HD1 LEU 83 6.946 -8.248 -12.717 637 3HD1 LEU 83 3HD1 LEU 83 6.853 -9.284 -14.163 638 1HD2 LEU 83 2HD2 LEU 83 4.289 -6.005 -13.757 639 2HD2 LEU 83 3HD2 LEU 83 4.083 -7.011 -12.302 640 3HD2 LEU 83 1HD2 LEU 83 5.665 -6.278 -12.660 641 H HIS 84 H HIS 84 8.355 -8.547 -15.848 642 HA HIS 84 HA HIS 84 8.416 -10.990 -17.214 643 1HB HIS 84 1HB HIS 84 10.235 -9.274 -15.939 644 2HB HIS 84 2HB HIS 84 10.363 -10.787 -15.065 645 HD1 HIS 84 HD1 HIS 84 12.839 -10.790 -16.202 646 HD2 HIS 84 HD2 HIS 84 9.587 -11.416 -18.775 647 HE1 HIS 84 HE1 HIS 84 13.804 -11.791 -18.341 648 HE2 HIS 84 HE2 HIS 84 11.752 -12.206 -19.862 649 HA PRO 85 HA PRO 85 7.225 -13.864 -14.172 650 1HB PRO 85 1HB PRO 85 9.281 -15.610 -13.738 651 2HB PRO 85 2HB PRO 85 8.245 -15.681 -15.151 652 1HG PRO 85 1HG PRO 85 11.030 -14.708 -14.940 653 2HG PRO 85 2HG PRO 85 10.138 -15.181 -16.372 654 1HD PRO 85 1HD PRO 85 10.712 -12.505 -15.515 655 2HD PRO 85 2HD PRO 85 9.724 -12.978 -16.881 656 H ASP 86 H ASP 86 9.158 -11.505 -13.294 657 HA ASP 86 HA ASP 86 9.923 -12.464 -10.747 658 1HB ASP 86 1HB ASP 86 11.304 -10.699 -11.176 659 2HB ASP 86 2HB ASP 86 10.198 -10.017 -12.354 660 H ASP 87 H ASP 87 7.084 -10.999 -12.233 661 HA ASP 87 HA ASP 87 5.667 -11.241 -9.787 662 1HB ASP 87 1HB ASP 87 6.520 -8.579 -10.844 663 2HB ASP 87 2HB ASP 87 4.825 -8.692 -10.415 664 H ARG 88 H ARG 88 5.465 -12.581 -12.272 665 HA ARG 88 HA ARG 88 3.591 -11.240 -13.920 666 1HB ARG 88 1HB ARG 88 5.278 -13.578 -14.077 667 2HB ARG 88 2HB ARG 88 3.639 -14.092 -14.423 668 1HG ARG 88 1HG ARG 88 3.482 -12.801 -16.355 669 2HG ARG 88 2HG ARG 88 4.556 -11.556 -15.746 670 1HD ARG 88 1HD ARG 88 6.320 -12.502 -16.818 671 2HD ARG 88 2HD ARG 88 6.071 -14.010 -15.961 672 HE ARG 88 HE ARG 88 4.115 -14.153 -17.868 673 1HH1 ARG 88 2HH1 ARG 88 4.339 -14.950 -19.998 674 2HH1 ARG 88 1HH1 ARG 88 5.876 -14.879 -20.793 675 1HH2 ARG 88 2HH2 ARG 88 7.539 -13.366 -18.082 676 2HH2 ARG 88 1HH2 ARG 88 7.708 -13.971 -19.695 677 H SER 89 H SER 89 3.403 -14.501 -12.298 678 HA SER 89 HA SER 89 0.639 -14.565 -12.382 679 1HB SER 89 1HB SER 89 0.819 -16.544 -11.011 680 2HB SER 89 2HB SER 89 2.197 -16.534 -12.093 681 HG SER 89 HG SER 89 2.950 -15.177 -9.885 682 H LYS 90 H LYS 90 2.633 -12.520 -10.608 683 HA LYS 90 HA LYS 90 1.086 -12.542 -8.175 684 1HB LYS 90 1HB LYS 90 3.611 -11.352 -9.136 685 2HB LYS 90 2HB LYS 90 2.690 -10.320 -8.060 686 1HG LYS 90 1HG LYS 90 3.184 -13.246 -7.386 687 2HG LYS 90 2HG LYS 90 4.373 -12.018 -7.001 688 1HD LYS 90 1HD LYS 90 3.194 -11.374 -5.174 689 2HD LYS 90 2HD LYS 90 1.771 -11.069 -6.148 690 1HE LYS 90 1HE LYS 90 0.866 -13.195 -5.758 691 2HE LYS 90 2HE LYS 90 2.434 -13.944 -5.533 692 1HZ LYS 90 3HZ LYS 90 1.481 -11.957 -3.621 693 2HZ LYS 90 1HZ LYS 90 0.980 -13.507 -3.512 694 3HZ LYS 90 2HZ LYS 90 2.570 -13.153 -3.396 695 H ILE 91 H ILE 91 1.254 -10.806 -11.268 696 HA ILE 91 HA ILE 91 -1.092 -9.284 -10.390 697 HB ILE 91 HB ILE 91 -0.245 -7.293 -10.941 698 1HG1 ILE 91 1HG1 ILE 91 1.495 -8.567 -13.073 699 2HG1 ILE 91 2HG1 ILE 91 -0.093 -7.878 -13.341 700 1HG2 ILE 91 3HG2 ILE 91 1.337 -8.167 -9.306 701 2HG2 ILE 91 1HG2 ILE 91 2.350 -8.825 -10.615 702 3HG2 ILE 91 2HG2 ILE 91 2.145 -7.065 -10.446 703 1HD1 ILE 91 1HD1 ILE 91 1.432 -5.916 -11.904 704 2HD1 ILE 91 2HD1 ILE 91 2.450 -6.523 -13.234 705 3HD1 ILE 91 3HD1 ILE 91 0.845 -5.835 -13.583 706 H THR 92 H THR 92 0.926 -10.407 -13.185 707 HA THR 92 HA THR 92 -0.600 -10.036 -15.298 708 HB THR 92 HB THR 92 1.536 -11.543 -14.852 709 HG1 THR 92 HG1 THR 92 -0.642 -12.160 -16.725 710 1HG2 THR 92 3HG2 THR 92 -0.121 -13.287 -13.654 711 2HG2 THR 92 1HG2 THR 92 -0.466 -13.761 -15.335 712 3HG2 THR 92 2HG2 THR 92 1.195 -13.866 -14.702 713 H LYS 93 H LYS 93 -2.447 -10.778 -16.338 714 HA LYS 93 HA LYS 93 -4.508 -11.550 -16.496 715 1HB LYS 93 1HB LYS 93 -3.283 -13.739 -16.111 716 2HB LYS 93 2HB LYS 93 -3.789 -13.647 -14.435 717 1HG LYS 93 1HG LYS 93 -6.100 -13.832 -14.986 718 2HG LYS 93 2HG LYS 93 -5.842 -13.353 -16.652 719 1HD LYS 93 1HD LYS 93 -4.939 -15.465 -17.260 720 2HD LYS 93 2HD LYS 93 -4.537 -15.883 -15.606 721 1HE LYS 93 1HE LYS 93 -6.731 -16.510 -15.077 722 2HE LYS 93 2HE LYS 93 -7.445 -15.417 -16.246 723 1HZ LYS 93 3HZ LYS 93 -6.147 -17.023 -17.858 724 2HZ LYS 93 1HZ LYS 93 -6.410 -18.077 -16.638 725 3HZ LYS 93 2HZ LYS 93 -7.671 -17.332 -17.360 726 HA PRO 94 HA PRO 94 -6.006 -9.212 -13.055 727 1HB PRO 94 1HB PRO 94 -7.940 -7.855 -14.430 728 2HB PRO 94 2HB PRO 94 -6.294 -7.274 -14.266 729 1HG PRO 94 1HG PRO 94 -7.603 -8.492 -16.619 730 2HG PRO 94 2HG PRO 94 -6.137 -7.534 -16.552 731 1HD PRO 94 1HD PRO 94 -6.315 -10.382 -16.843 732 2HD PRO 94 2HD PRO 94 -4.851 -9.436 -16.659 733 H SER 95 H SER 95 -7.958 -9.113 -11.762 734 HA SER 95 HA SER 95 -10.145 -10.634 -12.640 735 1HB SER 95 1HB SER 95 -9.971 -12.597 -11.301 736 2HB SER 95 2HB SER 95 -8.412 -12.442 -12.084 737 HG SER 95 HG SER 95 -7.793 -12.745 -10.012 738 H GLU 96 H GLU 96 -11.754 -10.946 -10.692 739 HA GLU 96 HA GLU 96 -11.292 -8.740 -8.838 740 1HB GLU 96 1HB GLU 96 -13.481 -9.237 -10.686 741 2HB GLU 96 2HB GLU 96 -14.095 -9.227 -9.045 742 1HG GLU 96 1HG GLU 96 -13.050 -7.023 -8.625 743 2HG GLU 96 2HG GLU 96 -12.303 -7.043 -10.210 744 H SER 97 H SER 97 -12.870 -8.999 -6.813 745 HA SER 97 HA SER 97 -12.574 -11.779 -5.993 746 1HB SER 97 1HB SER 97 -12.345 -10.986 -3.720 747 2HB SER 97 2HB SER 97 -11.268 -10.033 -4.722 748 HG SER 97 HG SER 97 -12.399 -8.616 -3.339 749 H ILE 98 H ILE 98 -14.268 -12.362 -4.145 750 HA ILE 98 HA ILE 98 -16.853 -11.845 -5.299 751 HB ILE 98 HB ILE 98 -17.614 -13.501 -3.641 752 1HG1 ILE 98 1HG1 ILE 98 -15.076 -14.535 -2.798 753 2HG1 ILE 98 2HG1 ILE 98 -15.158 -12.842 -2.348 754 1HG2 ILE 98 3HG2 ILE 98 -16.598 -14.015 -5.956 755 2HG2 ILE 98 1HG2 ILE 98 -15.189 -14.606 -5.043 756 3HG2 ILE 98 2HG2 ILE 98 -16.788 -15.349 -4.793 757 1HD1 ILE 98 2HD1 ILE 98 -17.486 -13.310 -1.385 758 2HD1 ILE 98 3HD1 ILE 98 -17.147 -15.039 -1.637 759 3HD1 ILE 98 1HD1 ILE 98 -16.132 -14.087 -0.527 760 H ILE 99 H ILE 99 -18.707 -11.580 -3.482 761 HA ILE 99 HA ILE 99 -17.821 -9.549 -1.578 762 HB ILE 99 HB ILE 99 -18.560 -8.429 -3.652 763 1HG1 ILE 99 1HG1 ILE 99 -20.505 -7.128 -2.352 764 2HG1 ILE 99 2HG1 ILE 99 -19.872 -8.045 -1.000 765 1HG2 ILE 99 3HG2 ILE 99 -21.040 -10.034 -3.139 766 2HG2 ILE 99 1HG2 ILE 99 -21.163 -8.437 -3.913 767 3HG2 ILE 99 2HG2 ILE 99 -20.179 -9.716 -4.664 768 1HD1 ILE 99 1HD1 ILE 99 -18.059 -6.459 -2.862 769 2HD1 ILE 99 2HD1 ILE 99 -18.796 -5.751 -1.404 770 3HD1 ILE 99 3HD1 ILE 99 -17.667 -7.120 -1.257 771 H THR 100 H THR 100 -19.131 -9.403 0.314 772 HA THR 100 HA THR 100 -21.026 -11.647 0.569 773 HB THR 100 HB THR 100 -18.867 -11.901 1.846 774 HG1 THR 100 HG1 THR 100 -20.281 -12.762 3.312 775 1HG2 THR 100 2HG2 THR 100 -19.659 -9.155 2.753 776 2HG2 THR 100 3HG2 THR 100 -19.135 -10.271 4.037 777 3HG2 THR 100 1HG2 THR 100 -18.043 -9.898 2.681 778 H THR 101 H THR 101 -22.791 -11.316 2.155 779 HA THR 101 HA THR 101 -23.432 -8.525 2.664 780 HB THR 101 HB THR 101 -25.160 -10.398 0.962 781 HG1 THR 101 HG1 THR 101 -24.529 -8.840 -0.647 782 1HG2 THR 101 1HG2 THR 101 -26.040 -8.323 2.632 783 2HG2 THR 101 2HG2 THR 101 -25.780 -7.506 1.071 784 3HG2 THR 101 3HG2 THR 101 -26.884 -8.897 1.175 785 H ILE 102 H ILE 102 -24.272 -8.275 4.642 786 HA ILE 102 HA ILE 102 -25.172 -10.730 5.965 787 HB ILE 102 HB ILE 102 -24.755 -9.393 8.053 788 1HG1 ILE 102 1HG1 ILE 102 -23.171 -7.542 6.262 789 2HG1 ILE 102 2HG1 ILE 102 -24.801 -7.169 6.788 790 1HG2 ILE 102 2HG2 ILE 102 -23.226 -11.129 7.226 791 2HG2 ILE 102 3HG2 ILE 102 -22.371 -9.908 6.253 792 3HG2 ILE 102 1HG2 ILE 102 -22.356 -9.801 8.030 793 1HD1 ILE 102 2HD1 ILE 102 -22.480 -7.809 8.668 794 2HD1 ILE 102 3HD1 ILE 102 -23.068 -6.173 8.290 795 3HD1 ILE 102 1HD1 ILE 102 -24.120 -7.318 9.154 796 H ASP 103 H ASP 103 -26.048 -7.425 4.982 797 HA ASP 103 HA ASP 103 -27.943 -6.376 4.926 798 1HB ASP 103 1HB ASP 103 -28.632 -9.080 4.449 799 2HB ASP 103 2HB ASP 103 -29.806 -8.539 5.633 800 H SER 104 H SER 104 -30.002 -5.800 6.338 801 HA SER 104 HA SER 104 -30.353 -6.834 8.845 802 1HB SER 104 1HB SER 104 -29.332 -4.945 10.231 803 2HB SER 104 2HB SER 104 -28.194 -6.095 9.558 804 HG SER 104 HG SER 104 -27.239 -4.276 8.879 No H/Q in entry = 804 Start of MODEL 5 1 H ALA 1 H ALA 1 28.851 -0.512 -36.564 2 HA ALA 1 HA ALA 1 31.472 0.474 -35.996 3 1HB ALA 1 1HB ALA 1 31.215 2.326 -37.306 4 2HB ALA 1 2HB ALA 1 29.442 2.185 -37.342 5 3HB ALA 1 3HB ALA 1 30.249 2.903 -35.926 6 H GLU 2 H GLU 2 27.935 1.102 -35.411 7 HA GLU 2 HA GLU 2 28.275 0.163 -32.737 8 1HB GLU 2 1HB GLU 2 28.706 2.874 -33.116 9 2HB GLU 2 2HB GLU 2 27.000 2.842 -32.724 10 1HG GLU 2 1HG GLU 2 27.800 1.184 -30.780 11 2HG GLU 2 2HG GLU 2 29.350 1.961 -31.039 12 H GLU 3 H GLU 3 25.936 0.735 -31.543 13 HA GLU 3 HA GLU 3 23.730 0.954 -33.193 14 1HB GLU 3 1HB GLU 3 24.855 -1.518 -33.597 15 2HB GLU 3 2HB GLU 3 23.761 -1.885 -32.278 16 1HG GLU 3 1HG GLU 3 21.840 -1.066 -33.524 17 2HG GLU 3 2HG GLU 3 22.862 -0.360 -34.759 18 H SER 4 H SER 4 21.654 0.067 -31.910 19 HA SER 4 HA SER 4 21.964 -0.377 -29.176 20 1HB SER 4 1HB SER 4 22.326 2.314 -29.826 21 2HB SER 4 2HB SER 4 20.631 2.253 -29.382 22 HG SER 4 HG SER 4 21.127 1.673 -27.319 23 H SER 5 H SER 5 19.620 0.138 -28.061 24 HA SER 5 HA SER 5 17.506 0.002 -29.981 25 1HB SER 5 1HB SER 5 16.605 -2.155 -29.169 26 2HB SER 5 2HB SER 5 18.190 -2.364 -29.889 27 HG SER 5 HG SER 5 17.692 -3.420 -27.702 28 H LYS 6 H LYS 6 15.373 -0.729 -28.393 29 HA LYS 6 HA LYS 6 15.540 0.236 -25.749 30 1HB LYS 6 1HB LYS 6 15.347 2.267 -27.739 31 2HB LYS 6 2HB LYS 6 13.788 2.170 -26.945 32 1HG LYS 6 1HG LYS 6 14.858 2.385 -24.726 33 2HG LYS 6 2HG LYS 6 16.450 2.353 -25.456 34 1HD LYS 6 1HD LYS 6 15.948 4.457 -26.690 35 2HD LYS 6 2HD LYS 6 14.331 4.481 -26.016 36 1HE LYS 6 1HE LYS 6 15.174 4.806 -23.761 37 2HE LYS 6 2HE LYS 6 16.820 4.463 -24.255 38 1HZ LYS 6 3HZ LYS 6 15.575 6.594 -25.702 39 2HZ LYS 6 1HZ LYS 6 15.777 6.898 -24.110 40 3HZ LYS 6 2HZ LYS 6 17.065 6.516 -25.038 41 H ALA 7 H ALA 7 14.133 -1.125 -24.796 42 HA ALA 7 HA ALA 7 11.466 -1.156 -25.136 43 1HB ALA 7 3HB ALA 7 12.831 -2.666 -27.297 44 2HB ALA 7 1HB ALA 7 11.507 -3.537 -26.485 45 3HB ALA 7 2HB ALA 7 11.197 -1.959 -27.250 46 H VAL 8 H VAL 8 11.808 -1.425 -22.871 47 HA VAL 8 HA VAL 8 13.321 -3.162 -21.543 48 HB VAL 8 HB VAL 8 12.132 -2.054 -20.029 49 1HG1 VAL 8 1HG1 VAL 8 10.051 -1.892 -22.189 50 2HG1 VAL 8 2HG1 VAL 8 9.620 -1.451 -20.520 51 3HG1 VAL 8 3HG1 VAL 8 10.934 -0.590 -21.357 52 1HG2 VAL 8 2HG2 VAL 8 11.485 -4.393 -19.544 53 2HG2 VAL 8 3HG2 VAL 8 10.237 -3.227 -19.041 54 3HG2 VAL 8 1HG2 VAL 8 10.017 -4.177 -20.529 55 H LYS 9 H LYS 9 10.059 -3.988 -22.916 56 HA LYS 9 HA LYS 9 9.302 -5.904 -23.738 57 1HB LYS 9 1HB LYS 9 11.943 -6.136 -24.315 58 2HB LYS 9 2HB LYS 9 11.746 -7.519 -23.257 59 1HG LYS 9 1HG LYS 9 10.101 -8.523 -24.658 60 2HG LYS 9 2HG LYS 9 9.736 -7.016 -25.474 61 1HD LYS 9 1HD LYS 9 12.557 -7.628 -25.830 62 2HD LYS 9 2HD LYS 9 11.606 -9.033 -26.271 63 1HE LYS 9 1HE LYS 9 10.123 -7.065 -27.480 64 2HE LYS 9 2HE LYS 9 11.714 -6.333 -27.559 65 1HZ LYS 9 1HZ LYS 9 12.502 -8.424 -28.541 66 2HZ LYS 9 2HZ LYS 9 10.969 -8.987 -28.574 67 3HZ LYS 9 3HZ LYS 9 11.378 -7.678 -29.461 68 H TYR 10 H TYR 10 11.583 -6.650 -21.005 69 HA TYR 10 HA TYR 10 9.259 -7.673 -19.541 70 1HB TYR 10 1HB TYR 10 11.641 -9.194 -18.926 71 2HB TYR 10 2HB TYR 10 10.195 -9.791 -19.716 72 HD1 TYR 10 HD1 TYR 10 10.163 -10.268 -22.059 73 HD2 TYR 10 HD2 TYR 10 13.528 -8.276 -20.325 74 HE1 TYR 10 HE1 TYR 10 11.486 -10.622 -24.202 75 HE2 TYR 10 HE2 TYR 10 14.840 -8.636 -22.473 76 HH TYR 10 HH TYR 10 13.803 -10.775 -24.878 77 H TYR 11 H TYR 11 9.103 -6.512 -17.692 78 HA TYR 11 HA TYR 11 11.628 -5.800 -16.362 79 1HB TYR 11 1HB TYR 11 9.361 -4.223 -17.439 80 2HB TYR 11 2HB TYR 11 9.522 -3.951 -15.715 81 HD1 TYR 11 HD1 TYR 11 12.469 -4.715 -17.791 82 HD2 TYR 11 HD2 TYR 11 10.132 -1.612 -15.998 83 HE1 TYR 11 HE1 TYR 11 14.338 -3.048 -18.225 84 HE2 TYR 11 HE2 TYR 11 12.010 0.045 -16.438 85 HH TYR 11 HH TYR 11 13.934 0.152 -18.219 86 H THR 12 H THR 12 11.176 -5.164 -13.970 87 HA THR 12 HA THR 12 9.280 -7.145 -12.909 88 HB THR 12 HB THR 12 10.806 -7.298 -11.023 89 HG1 THR 12 HG1 THR 12 12.676 -5.682 -11.159 90 1HG2 THR 12 1HG2 THR 12 11.673 -8.224 -13.332 91 2HG2 THR 12 2HG2 THR 12 12.733 -6.794 -13.325 92 3HG2 THR 12 3HG2 THR 12 12.857 -8.000 -12.023 93 H LEU 13 H LEU 13 7.881 -6.621 -11.187 94 HA LEU 13 HA LEU 13 6.516 -4.313 -11.384 95 1HB LEU 13 1HB LEU 13 6.878 -6.368 -9.292 96 2HB LEU 13 2HB LEU 13 6.198 -4.848 -8.745 97 HG LEU 13 HG LEU 13 5.084 -6.682 -10.882 98 1HD1 LEU 13 1HD1 LEU 13 4.838 -6.943 -8.210 99 2HD1 LEU 13 2HD1 LEU 13 3.475 -5.847 -8.537 100 3HD1 LEU 13 3HD1 LEU 13 3.575 -7.416 -9.372 101 1HD2 LEU 13 2HD2 LEU 13 4.292 -3.877 -10.111 102 2HD2 LEU 13 3HD2 LEU 13 4.604 -4.552 -11.728 103 3HD2 LEU 13 1HD2 LEU 13 3.136 -5.019 -10.837 104 H GLU 14 H GLU 14 9.541 -4.888 -9.556 105 HA GLU 14 HA GLU 14 9.475 -2.476 -8.169 106 1HB GLU 14 1HB GLU 14 11.254 -4.724 -8.485 107 2HB GLU 14 2HB GLU 14 12.196 -3.259 -8.671 108 1HG GLU 14 1HG GLU 14 11.620 -2.455 -6.506 109 2HG GLU 14 2HG GLU 14 10.212 -3.493 -6.388 110 H GLU 15 H GLU 15 10.996 -3.460 -11.304 111 HA GLU 15 HA GLU 15 12.304 -1.104 -11.794 112 1HB GLU 15 1HB GLU 15 11.041 -3.076 -13.747 113 2HB GLU 15 2HB GLU 15 12.157 -1.811 -14.221 114 1HG GLU 15 1HG GLU 15 13.193 -3.383 -11.954 115 2HG GLU 15 2HG GLU 15 12.840 -4.397 -13.341 116 H ILE 16 H ILE 16 8.882 -2.035 -12.318 117 HA ILE 16 HA ILE 16 8.269 0.307 -13.816 118 HB ILE 16 HB ILE 16 6.372 -1.542 -12.375 119 1HG1 ILE 16 1HG1 ILE 16 6.798 -2.107 -15.204 120 2HG1 ILE 16 2HG1 ILE 16 8.266 -2.323 -14.273 121 1HG2 ILE 16 1HG2 ILE 16 6.059 0.737 -14.134 122 2HG2 ILE 16 2HG2 ILE 16 5.326 -0.723 -14.837 123 3HG2 ILE 16 3HG2 ILE 16 4.836 -0.175 -13.217 124 1HD1 ILE 16 3HD1 ILE 16 5.814 -3.409 -12.977 125 2HD1 ILE 16 1HD1 ILE 16 6.296 -4.218 -14.488 126 3HD1 ILE 16 2HD1 ILE 16 7.437 -4.126 -13.125 127 H GLN 17 H GLN 17 8.328 -0.641 -10.384 128 HA GLN 17 HA GLN 17 6.740 1.443 -9.461 129 1HB GLN 17 1HB GLN 17 7.847 -0.759 -8.327 130 2HB GLN 17 2HB GLN 17 8.985 0.440 -7.745 131 1HG GLN 17 1HG GLN 17 6.295 1.488 -7.448 132 2HG GLN 17 2HG GLN 17 6.353 -0.119 -6.752 133 1HE2 GLN 17 1HE2 GLN 17 6.407 2.859 -5.833 134 2HE2 GLN 17 2HE2 GLN 17 7.589 2.885 -4.567 135 H LYS 18 H LYS 18 10.158 1.227 -10.414 136 HA LYS 18 HA LYS 18 10.957 3.629 -9.143 137 1HB LYS 18 1HB LYS 18 12.225 2.162 -11.474 138 2HB LYS 18 2HB LYS 18 12.991 3.376 -10.469 139 1HG LYS 18 1HG LYS 18 11.781 0.883 -9.222 140 2HG LYS 18 2HG LYS 18 13.387 0.835 -9.918 141 1HD LYS 18 1HD LYS 18 12.486 2.784 -7.744 142 2HD LYS 18 2HD LYS 18 13.420 1.329 -7.459 143 1HE LYS 18 1HE LYS 18 15.147 2.297 -9.146 144 2HE LYS 18 2HE LYS 18 14.275 3.810 -9.008 145 1HZ LYS 18 3HZ LYS 18 14.845 2.641 -6.483 146 2HZ LYS 18 1HZ LYS 18 16.200 2.961 -7.338 147 3HZ LYS 18 2HZ LYS 18 15.137 4.158 -7.014 148 H HIS 19 H HIS 19 9.410 2.779 -12.227 149 HA HIS 19 HA HIS 19 9.780 5.491 -13.183 150 1HB HIS 19 1HB HIS 19 8.784 2.922 -14.393 151 2HB HIS 19 2HB HIS 19 8.413 4.456 -15.158 152 HD1 HIS 19 HD1 HIS 19 9.986 4.820 -17.051 153 HD2 HIS 19 HD2 HIS 19 11.892 3.071 -13.750 154 HE1 HIS 19 HE1 HIS 19 12.444 4.575 -17.692 155 HE2 HIS 19 HE2 HIS 19 13.573 3.544 -15.604 156 H ASN 20 H ASN 20 8.513 6.720 -11.724 157 HA ASN 20 HA ASN 20 5.672 6.332 -12.166 158 1HB ASN 20 1HB ASN 20 6.042 5.376 -9.949 159 2HB ASN 20 2HB ASN 20 7.070 6.713 -9.474 160 1HD2 ASN 20 1HD2 ASN 20 4.110 7.000 -11.350 161 2HD2 ASN 20 2HD2 ASN 20 3.159 7.838 -10.171 162 H ASN 21 H ASN 21 7.978 8.169 -13.093 163 HA ASN 21 HA ASN 21 7.010 10.668 -11.965 164 1HB ASN 21 1HB ASN 21 9.533 10.049 -13.591 165 2HB ASN 21 2HB ASN 21 9.108 11.643 -13.002 166 1HD2 ASN 21 1HD2 ASN 21 11.412 9.936 -12.433 167 2HD2 ASN 21 2HD2 ASN 21 11.481 9.719 -10.715 168 H SER 22 H SER 22 6.860 12.531 -13.647 169 HA SER 22 HA SER 22 5.242 11.695 -15.757 170 1HB SER 22 1HB SER 22 5.162 14.066 -16.365 171 2HB SER 22 2HB SER 22 5.042 13.901 -14.625 172 HG SER 22 HG SER 22 7.593 14.137 -14.880 173 H LYS 23 H LYS 23 8.605 11.572 -15.382 174 HA LYS 23 HA LYS 23 9.076 11.952 -18.250 175 1HB LYS 23 1HB LYS 23 10.453 12.925 -16.042 176 2HB LYS 23 2HB LYS 23 11.428 11.562 -16.551 177 1HG LYS 23 1HG LYS 23 11.393 12.459 -18.911 178 2HG LYS 23 2HG LYS 23 10.496 13.854 -18.344 179 1HD LYS 23 1HD LYS 23 12.379 14.861 -17.564 180 2HD LYS 23 2HD LYS 23 12.863 13.428 -16.678 181 1HE LYS 23 1HE LYS 23 14.380 12.845 -18.272 182 2HE LYS 23 2HE LYS 23 13.201 13.009 -19.557 183 1HZ LYS 23 3HZ LYS 23 14.010 15.512 -18.488 184 2HZ LYS 23 1HZ LYS 23 15.263 14.671 -19.110 185 3HZ LYS 23 2HZ LYS 23 13.966 15.013 -20.042 186 H SER 24 H SER 24 8.630 9.608 -15.743 187 HA SER 24 HA SER 24 9.144 7.550 -17.651 188 1HB SER 24 1HB SER 24 11.110 8.191 -15.593 189 2HB SER 24 2HB SER 24 10.480 6.576 -15.337 190 HG SER 24 HG SER 24 12.372 7.208 -17.028 191 H THR 25 H THR 25 6.737 7.600 -17.228 192 HA THR 25 HA THR 25 6.048 6.388 -14.639 193 HB THR 25 HB THR 25 3.727 7.194 -16.091 194 HG1 THR 25 HG1 THR 25 4.412 9.253 -16.849 195 1HG2 THR 25 1HG2 THR 25 4.999 7.753 -13.575 196 2HG2 THR 25 2HG2 THR 25 4.685 9.321 -14.359 197 3HG2 THR 25 3HG2 THR 25 3.343 8.186 -14.070 198 H TRP 26 H TRP 26 6.454 4.225 -14.899 199 HA TRP 26 HA TRP 26 5.202 2.970 -17.237 200 1HB TRP 26 1HB TRP 26 7.368 1.984 -15.373 201 2HB TRP 26 2HB TRP 26 6.641 1.029 -16.650 202 HD1 TRP 26 HD1 TRP 26 7.342 4.690 -17.489 203 HE1 TRP 26 HE1 TRP 26 9.330 4.935 -19.206 204 HE3 TRP 26 HE3 TRP 26 8.807 -0.175 -17.294 205 HZ2 TRP 26 HZ2 TRP 26 11.249 3.109 -20.268 206 HZ3 TRP 26 HZ3 TRP 26 10.747 -0.862 -18.702 207 HH2 TRP 26 HH2 TRP 26 11.954 0.690 -20.152 208 H LEU 27 H LEU 27 3.636 1.332 -16.923 209 HA LEU 27 HA LEU 27 2.998 0.605 -14.185 210 1HB LEU 27 1HB LEU 27 0.894 1.453 -14.105 211 2HB LEU 27 2HB LEU 27 1.729 2.728 -14.969 212 HG LEU 27 HG LEU 27 -0.255 2.510 -16.142 213 1HD1 LEU 27 3HD1 LEU 27 1.974 2.135 -17.495 214 2HD1 LEU 27 1HD1 LEU 27 1.253 0.538 -17.812 215 3HD1 LEU 27 2HD1 LEU 27 0.384 2.018 -18.285 216 1HD2 LEU 27 3HD2 LEU 27 -0.566 0.122 -14.918 217 2HD2 LEU 27 1HD2 LEU 27 -1.593 0.700 -16.251 218 3HD2 LEU 27 2HD2 LEU 27 -0.248 -0.416 -16.584 219 H ILE 28 H ILE 28 1.219 -1.163 -14.220 220 HA ILE 28 HA ILE 28 1.782 -2.863 -16.545 221 HB ILE 28 HB ILE 28 0.725 -4.032 -14.040 222 1HG1 ILE 28 1HG1 ILE 28 2.314 -2.374 -13.162 223 2HG1 ILE 28 2HG1 ILE 28 2.860 -4.018 -12.900 224 1HG2 ILE 28 1HG2 ILE 28 2.333 -4.810 -16.380 225 2HG2 ILE 28 2HG2 ILE 28 2.892 -5.493 -14.834 226 3HG2 ILE 28 3HG2 ILE 28 1.218 -5.765 -15.375 227 1HD1 ILE 28 2HD1 ILE 28 3.750 -2.411 -15.326 228 2HD1 ILE 28 3HD1 ILE 28 4.617 -2.345 -13.772 229 3HD1 ILE 28 1HD1 ILE 28 4.488 -3.885 -14.654 230 H LEU 29 H LEU 29 0.116 -3.581 -17.812 231 HA LEU 29 HA LEU 29 -2.591 -3.128 -16.793 232 1HB LEU 29 1HB LEU 29 -1.421 -1.434 -18.583 233 2HB LEU 29 2HB LEU 29 -2.187 -2.585 -19.657 234 HG LEU 29 HG LEU 29 -3.397 -0.575 -17.836 235 1HD1 LEU 29 3HD1 LEU 29 -3.253 -0.427 -20.359 236 2HD1 LEU 29 1HD1 LEU 29 -4.454 -1.738 -20.419 237 3HD1 LEU 29 2HD1 LEU 29 -4.867 -0.187 -19.650 238 1HD2 LEU 29 1HD2 LEU 29 -4.478 -3.357 -18.148 239 2HD2 LEU 29 2HD2 LEU 29 -4.427 -2.307 -16.712 240 3HD2 LEU 29 3HD2 LEU 29 -5.593 -1.975 -18.016 241 H HIS 30 H HIS 30 -3.518 -5.097 -16.668 242 HA HIS 30 HA HIS 30 -4.293 -7.052 -17.328 243 1HB HIS 30 1HB HIS 30 -4.443 -5.937 -19.608 244 2HB HIS 30 2HB HIS 30 -2.913 -6.699 -19.998 245 HD1 HIS 30 HD1 HIS 30 -2.986 -9.492 -19.596 246 HD2 HIS 30 HD2 HIS 30 -6.596 -7.469 -20.283 247 HE1 HIS 30 HE1 HIS 30 -4.661 -11.259 -20.358 248 HE2 HIS 30 HE2 HIS 30 -6.874 -9.966 -20.714 249 H TYR 31 H TYR 31 -0.879 -6.266 -18.037 250 HA TYR 31 HA TYR 31 0.304 -7.977 -16.381 251 1HB TYR 31 1HB TYR 31 -0.612 -9.994 -17.242 252 2HB TYR 31 2HB TYR 31 -0.870 -9.302 -18.831 253 HD1 TYR 31 HD1 TYR 31 0.398 -10.169 -20.563 254 HD2 TYR 31 HD2 TYR 31 2.030 -10.190 -16.608 255 HE1 TYR 31 HE1 TYR 31 2.468 -11.374 -21.417 256 HE2 TYR 31 HE2 TYR 31 4.095 -11.395 -17.476 257 HH TYR 31 HH TYR 31 5.128 -11.407 -20.278 258 H LYS 32 H LYS 32 0.165 -6.174 -19.304 259 HA LYS 32 HA LYS 32 3.031 -6.485 -19.766 260 1HB LYS 32 1HB LYS 32 0.947 -5.035 -21.424 261 2HB LYS 32 2HB LYS 32 2.615 -5.327 -21.872 262 1HG LYS 32 1HG LYS 32 2.106 -7.399 -22.635 263 2HG LYS 32 2HG LYS 32 1.424 -7.849 -21.084 264 1HD LYS 32 1HD LYS 32 -0.658 -7.784 -21.979 265 2HD LYS 32 2HD LYS 32 -0.461 -6.076 -22.319 266 1HE LYS 32 1HE LYS 32 0.735 -6.699 -24.474 267 2HE LYS 32 2HE LYS 32 0.376 -8.382 -24.141 268 1HZ LYS 32 3HZ LYS 32 -1.987 -7.026 -23.861 269 2HZ LYS 32 1HZ LYS 32 -1.305 -6.418 -25.212 270 3HZ LYS 32 2HZ LYS 32 -1.566 -8.025 -25.082 271 H VAL 33 H VAL 33 4.261 -4.385 -20.225 272 HA VAL 33 HA VAL 33 3.425 -2.424 -18.206 273 HB VAL 33 HB VAL 33 6.145 -3.217 -19.259 274 1HG1 VAL 33 3HG1 VAL 33 5.238 -0.791 -17.814 275 2HG1 VAL 33 1HG1 VAL 33 6.689 -1.588 -17.159 276 3HG1 VAL 33 2HG1 VAL 33 6.659 -1.048 -18.855 277 1HG2 VAL 33 3HG2 VAL 33 4.591 -3.786 -16.769 278 2HG2 VAL 33 1HG2 VAL 33 5.706 -4.825 -17.688 279 3HG2 VAL 33 2HG2 VAL 33 6.349 -3.553 -16.622 280 H TYR 34 H TYR 34 2.959 -0.365 -18.841 281 HA TYR 34 HA TYR 34 3.652 0.320 -21.619 282 1HB TYR 34 1HB TYR 34 1.281 1.239 -19.885 283 2HB TYR 34 2HB TYR 34 1.461 1.507 -21.606 284 HD1 TYR 34 HD1 TYR 34 1.336 -1.360 -19.181 285 HD2 TYR 34 HD2 TYR 34 0.265 0.133 -23.045 286 HE1 TYR 34 HE1 TYR 34 0.037 -3.495 -19.654 287 HE2 TYR 34 HE2 TYR 34 -1.030 -2.007 -23.504 288 HH TYR 34 HH TYR 34 -1.592 -3.958 -22.780 289 H ASP 35 H ASP 35 3.948 2.653 -22.037 290 HA ASP 35 HA ASP 35 5.204 3.857 -19.732 291 1HB ASP 35 1HB ASP 35 5.737 3.768 -22.552 292 2HB ASP 35 2HB ASP 35 5.401 5.443 -22.160 293 H LEU 36 H LEU 36 3.370 4.738 -18.585 294 HA LEU 36 HA LEU 36 1.233 6.026 -19.825 295 1HB LEU 36 1HB LEU 36 2.352 6.218 -17.029 296 2HB LEU 36 2HB LEU 36 0.848 6.965 -17.531 297 HG LEU 36 HG LEU 36 1.499 4.040 -17.245 298 1HD1 LEU 36 2HD1 LEU 36 0.117 5.962 -15.687 299 2HD1 LEU 36 3HD1 LEU 36 -1.095 4.820 -16.317 300 3HD1 LEU 36 1HD1 LEU 36 0.299 4.216 -15.390 301 1HD2 LEU 36 3HD2 LEU 36 -0.433 5.284 -19.134 302 2HD2 LEU 36 1HD2 LEU 36 0.454 3.744 -19.235 303 3HD2 LEU 36 2HD2 LEU 36 -0.989 3.872 -18.201 304 H THR 37 H THR 37 4.521 7.049 -19.096 305 HA THR 37 HA THR 37 4.310 9.749 -18.854 306 HB THR 37 HB THR 37 6.286 7.785 -19.963 307 HG1 THR 37 HG1 THR 37 7.498 9.104 -18.335 308 1HG2 THR 37 2HG2 THR 37 6.255 10.748 -20.636 309 2HG2 THR 37 3HG2 THR 37 7.802 9.941 -20.283 310 3HG2 THR 37 1HG2 THR 37 6.797 9.383 -21.642 311 H LYS 38 H LYS 38 3.408 7.799 -21.617 312 HA LYS 38 HA LYS 38 3.371 10.154 -23.326 313 1HB LYS 38 1HB LYS 38 3.361 7.216 -23.726 314 2HB LYS 38 2HB LYS 38 2.386 8.133 -24.856 315 1HG LYS 38 1HG LYS 38 5.028 9.372 -24.347 316 2HG LYS 38 2HG LYS 38 5.150 7.760 -25.021 317 1HD LYS 38 1HD LYS 38 4.891 8.847 -27.025 318 2HD LYS 38 2HD LYS 38 3.185 8.766 -26.631 319 1HE LYS 38 1HE LYS 38 3.948 11.048 -25.255 320 2HE LYS 38 2HE LYS 38 5.011 11.117 -26.647 321 1HZ LYS 38 1HZ LYS 38 2.961 10.708 -27.995 322 2HZ LYS 38 2HZ LYS 38 2.085 10.993 -26.647 323 3HZ LYS 38 3HZ LYS 38 3.041 12.165 -27.262 324 H PHE 39 H PHE 39 1.213 7.807 -21.672 325 HA PHE 39 HA PHE 39 -1.153 8.829 -22.824 326 1HB PHE 39 1HB PHE 39 -0.237 7.023 -20.583 327 2HB PHE 39 2HB PHE 39 -1.857 7.669 -20.402 328 HD1 PHE 39 HD1 PHE 39 -0.005 5.010 -21.679 329 HD2 PHE 39 HD2 PHE 39 -3.346 7.454 -22.613 330 HE1 PHE 39 HE1 PHE 39 -0.888 3.221 -23.201 331 HE2 PHE 39 HE2 PHE 39 -4.230 5.664 -24.135 332 HZ PHE 39 HZ PHE 39 -2.989 3.569 -24.411 333 H LEU 40 H LEU 40 1.042 10.228 -20.647 334 HA LEU 40 HA LEU 40 -0.848 11.464 -18.906 335 1HB LEU 40 1HB LEU 40 2.025 11.262 -19.206 336 2HB LEU 40 2HB LEU 40 1.545 12.916 -18.878 337 HG LEU 40 HG LEU 40 0.085 11.694 -16.981 338 1HD1 LEU 40 2HD1 LEU 40 1.906 9.645 -17.918 339 2HD1 LEU 40 3HD1 LEU 40 2.189 10.024 -16.203 340 3HD1 LEU 40 1HD1 LEU 40 0.567 9.539 -16.749 341 1HD2 LEU 40 3HD2 LEU 40 3.001 12.497 -16.826 342 2HD2 LEU 40 1HD2 LEU 40 1.571 13.512 -16.520 343 3HD2 LEU 40 2HD2 LEU 40 1.970 12.180 -15.410 344 H GLU 41 H GLU 41 -0.870 11.687 -22.059 345 HA GLU 41 HA GLU 41 -0.906 14.597 -22.117 346 1HB GLU 41 1HB GLU 41 0.300 12.798 -23.856 347 2HB GLU 41 2HB GLU 41 -1.199 13.155 -24.690 348 1HG GLU 41 1HG GLU 41 -0.009 15.601 -23.589 349 2HG GLU 41 2HG GLU 41 1.131 14.762 -24.621 350 H GLU 42 H GLU 42 -2.700 11.720 -23.447 351 HA GLU 42 HA GLU 42 -5.079 13.394 -23.407 352 1HB GLU 42 1HB GLU 42 -4.280 10.961 -25.029 353 2HB GLU 42 2HB GLU 42 -5.970 11.399 -24.871 354 1HG GLU 42 1HG GLU 42 -3.926 13.487 -25.698 355 2HG GLU 42 2HG GLU 42 -4.571 12.370 -26.884 356 H HIS 43 H HIS 43 -6.716 12.961 -21.970 357 HA HIS 43 HA HIS 43 -7.530 10.499 -21.145 358 1HB HIS 43 1HB HIS 43 -5.035 10.877 -20.066 359 2HB HIS 43 2HB HIS 43 -6.063 11.457 -18.772 360 HD1 HIS 43 HD1 HIS 43 -4.493 8.459 -19.834 361 HD2 HIS 43 HD2 HIS 43 -8.304 9.359 -18.326 362 HE1 HIS 43 HE1 HIS 43 -5.444 6.268 -18.936 363 HE2 HIS 43 HE2 HIS 43 -7.763 6.895 -17.974 364 HA PRO 44 HA PRO 44 -10.398 13.483 -19.778 365 1HB PRO 44 1HB PRO 44 -12.493 11.792 -19.313 366 2HB PRO 44 2HB PRO 44 -12.126 12.450 -20.895 367 1HG PRO 44 1HG PRO 44 -11.657 9.716 -19.870 368 2HG PRO 44 2HG PRO 44 -11.697 10.275 -21.531 369 1HD PRO 44 1HD PRO 44 -9.363 9.650 -19.985 370 2HD PRO 44 2HD PRO 44 -9.400 10.317 -21.606 371 H GLY 45 H GLY 45 -8.785 11.268 -17.986 372 1HA GLY 45 2HA GLY 45 -9.065 10.653 -15.735 373 2HA GLY 45 1HA GLY 45 -10.228 11.946 -15.516 374 H GLY 46 H GLY 46 -6.972 12.066 -17.098 375 1HA GLY 46 2HA GLY 46 -6.127 13.943 -14.970 376 2HA GLY 46 1HA GLY 46 -5.810 14.220 -16.671 377 H GLU 47 H GLU 47 -3.508 14.217 -16.360 378 HA GLU 47 HA GLU 47 -2.200 11.989 -16.957 379 1HB GLU 47 1HB GLU 47 -1.353 14.411 -15.350 380 2HB GLU 47 2HB GLU 47 -0.206 13.120 -15.650 381 1HG GLU 47 1HG GLU 47 0.078 13.738 -17.823 382 2HG GLU 47 2HG GLU 47 -1.650 13.832 -18.105 383 H GLU 48 H GLU 48 -3.034 13.108 -13.628 384 HA GLU 48 HA GLU 48 -1.608 11.306 -12.195 385 1HB GLU 48 1HB GLU 48 -3.642 13.185 -11.700 386 2HB GLU 48 2HB GLU 48 -4.309 11.681 -11.097 387 1HG GLU 48 1HG GLU 48 -2.099 11.315 -9.847 388 2HG GLU 48 2HG GLU 48 -1.644 12.943 -10.310 389 H VAL 49 H VAL 49 -4.886 10.896 -13.677 390 HA VAL 49 HA VAL 49 -5.648 8.516 -12.698 391 HB VAL 49 HB VAL 49 -6.701 10.058 -14.450 392 1HG1 VAL 49 2HG1 VAL 49 -4.582 9.297 -16.009 393 2HG1 VAL 49 3HG1 VAL 49 -5.865 8.209 -16.594 394 3HG1 VAL 49 1HG1 VAL 49 -6.110 9.972 -16.625 395 1HG2 VAL 49 1HG2 VAL 49 -6.976 7.152 -14.055 396 2HG2 VAL 49 2HG2 VAL 49 -8.206 8.437 -14.032 397 3HG2 VAL 49 3HG2 VAL 49 -7.669 7.748 -15.583 398 H LEU 50 H LEU 50 -2.860 9.178 -14.760 399 HA LEU 50 HA LEU 50 -2.417 6.285 -14.986 400 1HB LEU 50 1HB LEU 50 -1.120 8.453 -16.628 401 2HB LEU 50 2HB LEU 50 -1.076 6.723 -16.902 402 HG LEU 50 HG LEU 50 -3.818 7.517 -16.886 403 1HD1 LEU 50 2HD1 LEU 50 -2.269 9.707 -17.616 404 2HD1 LEU 50 3HD1 LEU 50 -2.768 8.989 -19.166 405 3HD1 LEU 50 1HD1 LEU 50 -3.996 9.456 -17.964 406 1HD2 LEU 50 3HD2 LEU 50 -1.881 6.430 -18.917 407 2HD2 LEU 50 1HD2 LEU 50 -3.239 5.620 -18.101 408 3HD2 LEU 50 2HD2 LEU 50 -3.555 6.833 -19.364 409 H ARG 51 H ARG 51 -0.975 9.468 -14.118 410 HA ARG 51 HA ARG 51 1.506 8.454 -13.449 411 1HB ARG 51 1HB ARG 51 0.523 10.948 -13.677 412 2HB ARG 51 2HB ARG 51 0.332 10.802 -11.940 413 1HG ARG 51 1HG ARG 51 2.947 9.799 -12.581 414 2HG ARG 51 2HG ARG 51 2.751 11.304 -13.456 415 1HD ARG 51 1HD ARG 51 1.675 11.882 -10.921 416 2HD ARG 51 2HD ARG 51 3.048 10.856 -10.555 417 HE ARG 51 HE ARG 51 3.626 12.975 -12.511 418 1HH1 ARG 51 2HH1 ARG 51 5.127 14.585 -11.899 419 2HH1 ARG 51 1HH1 ARG 51 5.601 14.740 -10.240 420 1HH2 ARG 51 2HH2 ARG 51 3.574 12.094 -9.106 421 2HH2 ARG 51 1HH2 ARG 51 4.710 13.313 -8.640 422 H GLU 52 H GLU 52 -1.462 9.116 -11.470 423 HA GLU 52 HA GLU 52 -0.386 8.474 -9.028 424 1HB GLU 52 1HB GLU 52 -2.919 9.167 -10.072 425 2HB GLU 52 2HB GLU 52 -3.181 7.633 -9.265 426 1HG GLU 52 1HG GLU 52 -1.658 9.903 -7.921 427 2HG GLU 52 2HG GLU 52 -3.406 9.791 -7.835 428 H GLN 53 H GLN 53 -1.232 6.438 -11.750 429 HA GLN 53 HA GLN 53 -1.268 4.095 -10.053 430 1HB GLN 53 1HB GLN 53 -1.991 2.894 -12.093 431 2HB GLN 53 2HB GLN 53 -3.025 4.268 -11.767 432 1HG GLN 53 1HG GLN 53 -1.908 5.614 -13.471 433 2HG GLN 53 2HG GLN 53 -0.652 4.412 -13.679 434 1HE2 GLN 53 1HE2 GLN 53 -3.974 5.267 -14.261 435 2HE2 GLN 53 2HE2 GLN 53 -4.344 4.061 -15.448 436 H ALA 54 H ALA 54 0.729 5.872 -12.372 437 HA ALA 54 HA ALA 54 2.441 3.899 -13.229 438 1HB ALA 54 1HB ALA 54 2.743 6.858 -12.667 439 2HB ALA 54 2HB ALA 54 4.106 5.893 -13.282 440 3HB ALA 54 3HB ALA 54 2.607 6.026 -14.234 441 H GLY 55 H GLY 55 4.001 2.655 -12.287 442 1HA GLY 55 2HA GLY 55 4.805 3.390 -9.535 443 2HA GLY 55 1HA GLY 55 5.877 2.663 -10.716 444 H GLY 56 H GLY 56 3.324 1.053 -11.682 445 1HA GLY 56 2HA GLY 56 2.823 -0.721 -9.459 446 2HA GLY 56 1HA GLY 56 3.888 -1.392 -10.679 447 H ASP 57 H ASP 57 1.579 -2.747 -10.371 448 HA ASP 57 HA ASP 57 0.445 -2.587 -12.892 449 1HB ASP 57 1HB ASP 57 0.103 -4.700 -12.062 450 2HB ASP 57 2HB ASP 57 0.069 -4.147 -10.401 451 H ALA 58 H ALA 58 -1.399 -1.465 -13.634 452 HA ALA 58 HA ALA 58 -2.878 0.049 -11.592 453 1HB ALA 58 1HB ALA 58 -1.412 1.294 -13.299 454 2HB ALA 58 2HB ALA 58 -2.592 0.772 -14.525 455 3HB ALA 58 3HB ALA 58 -3.111 1.809 -13.173 456 H THR 59 H THR 59 -2.945 -2.422 -14.032 457 HA THR 59 HA THR 59 -5.451 -2.254 -15.103 458 HB THR 59 HB THR 59 -3.342 -4.083 -15.011 459 HG1 THR 59 HG1 THR 59 -6.123 -4.211 -15.936 460 1HG2 THR 59 2HG2 THR 59 -5.901 -5.385 -13.938 461 2HG2 THR 59 3HG2 THR 59 -4.471 -6.260 -14.538 462 3HG2 THR 59 1HG2 THR 59 -4.358 -5.278 -13.058 463 H GLU 60 H GLU 60 -4.550 -3.562 -11.861 464 HA GLU 60 HA GLU 60 -6.935 -4.566 -11.136 465 1HB GLU 60 1HB GLU 60 -4.546 -3.586 -9.796 466 2HB GLU 60 2HB GLU 60 -5.960 -3.190 -8.841 467 1HG GLU 60 1HG GLU 60 -6.350 -5.865 -9.791 468 2HG GLU 60 2HG GLU 60 -4.694 -5.778 -9.226 469 H ASN 61 H ASN 61 -5.982 -1.142 -11.411 470 HA ASN 61 HA ASN 61 -8.470 -0.332 -10.203 471 1HB ASN 61 1HB ASN 61 -5.875 0.810 -10.406 472 2HB ASN 61 2HB ASN 61 -6.871 1.809 -11.447 473 1HD2 ASN 61 1HD2 ASN 61 -9.048 2.412 -10.514 474 2HD2 ASN 61 2HD2 ASN 61 -9.096 2.925 -8.860 475 H PHE 62 H PHE 62 -6.572 0.077 -13.287 476 HA PHE 62 HA PHE 62 -8.373 1.497 -14.749 477 1HB PHE 62 1HB PHE 62 -6.453 1.101 -16.004 478 2HB PHE 62 2HB PHE 62 -6.104 -0.370 -15.119 479 HD1 PHE 62 HD1 PHE 62 -7.475 -2.470 -15.771 480 HD2 PHE 62 HD2 PHE 62 -7.161 0.983 -18.219 481 HE1 PHE 62 HE1 PHE 62 -8.128 -3.831 -17.777 482 HE2 PHE 62 HE2 PHE 62 -7.815 -0.380 -20.223 483 HZ PHE 62 HZ PHE 62 -8.291 -2.770 -19.979 484 H GLU 63 H GLU 63 -8.681 -1.777 -13.564 485 HA GLU 63 HA GLU 63 -10.558 -2.516 -15.590 486 1HB GLU 63 1HB GLU 63 -9.155 -3.834 -13.332 487 2HB GLU 63 2HB GLU 63 -10.791 -4.411 -13.578 488 1HG GLU 63 1HG GLU 63 -8.835 -4.141 -15.898 489 2HG GLU 63 2HG GLU 63 -8.883 -5.585 -14.905 490 H ASP 64 H ASP 64 -10.537 -1.249 -12.257 491 HA ASP 64 HA ASP 64 -13.208 -1.818 -11.704 492 1HB ASP 64 1HB ASP 64 -11.952 -1.273 -9.803 493 2HB ASP 64 2HB ASP 64 -11.087 0.018 -10.612 494 H VAL 65 H VAL 65 -11.509 0.671 -13.561 495 HA VAL 65 HA VAL 65 -13.792 2.454 -13.576 496 HB VAL 65 HB VAL 65 -12.118 3.889 -13.741 497 1HG1 VAL 65 2HG1 VAL 65 -10.544 2.198 -12.944 498 2HG1 VAL 65 3HG1 VAL 65 -10.306 1.610 -14.607 499 3HG1 VAL 65 1HG1 VAL 65 -9.772 3.247 -14.157 500 1HG2 VAL 65 3HG2 VAL 65 -11.821 2.683 -16.511 501 2HG2 VAL 65 1HG2 VAL 65 -12.828 4.072 -16.035 502 3HG2 VAL 65 2HG2 VAL 65 -11.054 4.201 -15.988 503 H GLY 66 H GLY 66 -13.256 -0.475 -14.914 504 1HA GLY 66 2HA GLY 66 -15.233 -0.578 -16.697 505 2HA GLY 66 1HA GLY 66 -13.746 -1.484 -16.892 506 H HIS 67 H HIS 67 -11.905 -0.413 -18.082 507 HA HIS 67 HA HIS 67 -12.475 1.924 -19.582 508 1HB HIS 67 1HB HIS 67 -10.228 -0.073 -19.491 509 2HB HIS 67 2HB HIS 67 -10.302 1.106 -20.786 510 HD1 HIS 67 HD1 HIS 67 -10.085 0.942 -16.981 511 HD2 HIS 67 HD2 HIS 67 -9.402 3.636 -20.123 512 HE1 HIS 67 HE1 HIS 67 -8.949 2.977 -15.943 513 HE2 HIS 67 HE2 HIS 67 -8.505 4.575 -17.930 514 H SER 68 H SER 68 -11.776 1.603 -22.154 515 HA SER 68 HA SER 68 -13.788 -0.284 -23.079 516 1HB SER 68 1HB SER 68 -14.250 1.168 -24.858 517 2HB SER 68 2HB SER 68 -13.877 2.290 -23.566 518 HG SER 68 HG SER 68 -12.049 2.905 -24.556 519 H THR 69 H THR 69 -13.314 -1.596 -25.005 520 HA THR 69 HA THR 69 -10.816 -2.790 -24.967 521 HB THR 69 HB THR 69 -13.203 -2.715 -26.832 522 HG1 THR 69 HG1 THR 69 -12.994 -5.026 -26.101 523 1HG2 THR 69 2HG2 THR 69 -11.028 -2.991 -28.226 524 2HG2 THR 69 3HG2 THR 69 -10.752 -4.479 -27.288 525 3HG2 THR 69 1HG2 THR 69 -12.196 -4.331 -28.318 526 H ASP 70 H ASP 70 -11.810 0.229 -26.405 527 HA ASP 70 HA ASP 70 -9.815 0.233 -28.396 528 1HB ASP 70 1HB ASP 70 -11.911 1.631 -28.437 529 2HB ASP 70 2HB ASP 70 -11.301 2.557 -27.081 530 H ALA 71 H ALA 71 -10.259 1.718 -25.109 531 HA ALA 71 HA ALA 71 -7.897 3.156 -25.009 532 1HB ALA 71 3HB ALA 71 -8.970 1.799 -22.554 533 2HB ALA 71 2HB ALA 71 -10.026 2.939 -23.422 534 3HB ALA 71 1HB ALA 71 -8.454 3.487 -22.789 535 H ARG 72 H ARG 72 -8.608 -0.280 -24.136 536 HA ARG 72 HA ARG 72 -6.074 -0.789 -23.143 537 1HB ARG 72 1HB ARG 72 -7.928 -2.806 -24.498 538 2HB ARG 72 2HB ARG 72 -6.713 -3.154 -23.284 539 1HG ARG 72 1HG ARG 72 -7.981 -1.719 -21.643 540 2HG ARG 72 2HG ARG 72 -9.217 -1.456 -22.856 541 1HD ARG 72 1HD ARG 72 -8.395 -4.205 -21.797 542 2HD ARG 72 2HD ARG 72 -9.792 -3.306 -21.241 543 HE ARG 72 HE ARG 72 -10.901 -3.750 -23.293 544 1HH1 ARG 72 2HH1 ARG 72 -11.196 -4.975 -25.200 545 2HH1 ARG 72 1HH1 ARG 72 -9.869 -5.858 -25.874 546 1HH2 ARG 72 2HH2 ARG 72 -7.567 -4.868 -23.399 547 2HH2 ARG 72 1HH2 ARG 72 -7.790 -5.797 -24.844 548 H GLU 73 H GLU 73 -7.568 -1.230 -26.412 549 HA GLU 73 HA GLU 73 -5.368 -2.484 -27.547 550 1HB GLU 73 1HB GLU 73 -7.924 -1.354 -28.424 551 2HB GLU 73 2HB GLU 73 -6.668 -1.061 -29.612 552 1HG GLU 73 1HG GLU 73 -6.135 -3.433 -29.758 553 2HG GLU 73 2HG GLU 73 -7.141 -3.808 -28.373 554 H LEU 74 H LEU 74 -6.234 0.956 -27.070 555 HA LEU 74 HA LEU 74 -4.300 2.019 -28.799 556 1HB LEU 74 1HB LEU 74 -5.281 3.915 -28.257 557 2HB LEU 74 2HB LEU 74 -6.388 2.966 -27.285 558 HG LEU 74 HG LEU 74 -4.475 3.281 -25.448 559 1HD1 LEU 74 3HD1 LEU 74 -3.678 5.077 -27.569 560 2HD1 LEU 74 1HD1 LEU 74 -4.050 5.980 -26.080 561 3HD1 LEU 74 2HD1 LEU 74 -2.848 4.667 -26.049 562 1HD2 LEU 74 3HD2 LEU 74 -6.976 4.542 -26.077 563 2HD2 LEU 74 1HD2 LEU 74 -6.246 4.205 -24.490 564 3HD2 LEU 74 2HD2 LEU 74 -5.880 5.730 -25.333 565 H SER 75 H SER 75 -4.257 1.038 -25.339 566 HA SER 75 HA SER 75 -1.821 2.130 -24.707 567 1HB SER 75 1HB SER 75 -2.033 -0.339 -23.304 568 2HB SER 75 2HB SER 75 -2.459 1.260 -22.726 569 HG SER 75 HG SER 75 -4.113 -0.822 -23.640 570 H LYS 76 H LYS 76 -2.641 -0.526 -26.814 571 HA LYS 76 HA LYS 76 -0.351 -2.096 -26.542 572 1HB LYS 76 1HB LYS 76 -1.197 -3.292 -28.287 573 2HB LYS 76 2HB LYS 76 -2.648 -2.433 -27.814 574 1HG LYS 76 1HG LYS 76 -1.882 -0.594 -29.515 575 2HG LYS 76 2HG LYS 76 -0.778 -1.808 -30.128 576 1HD LYS 76 1HD LYS 76 -3.389 -3.024 -29.820 577 2HD LYS 76 2HD LYS 76 -3.581 -1.517 -30.695 578 1HE LYS 76 1HE LYS 76 -2.892 -2.622 -32.558 579 2HE LYS 76 2HE LYS 76 -1.286 -2.654 -31.858 580 1HZ LYS 76 2HZ LYS 76 -2.673 -4.676 -30.646 581 2HZ LYS 76 3HZ LYS 76 -3.078 -4.778 -32.225 582 3HZ LYS 76 1HZ LYS 76 -1.507 -4.829 -31.780 583 H THR 77 H THR 77 -0.831 1.103 -27.813 584 HA THR 77 HA THR 77 1.567 0.963 -29.458 585 HB THR 77 HB THR 77 -0.772 2.193 -29.906 586 HG1 THR 77 HG1 THR 77 0.543 3.379 -31.357 587 1HG2 THR 77 1HG2 THR 77 0.753 4.005 -28.020 588 2HG2 THR 77 2HG2 THR 77 -0.066 4.739 -29.419 589 3HG2 THR 77 3HG2 THR 77 -1.005 3.818 -28.220 590 H PHE 78 H PHE 78 0.701 1.554 -26.190 591 HA PHE 78 HA PHE 78 3.055 3.249 -25.822 592 1HB PHE 78 1HB PHE 78 0.629 2.444 -24.113 593 2HB PHE 78 2HB PHE 78 1.945 3.405 -23.468 594 HD1 PHE 78 HD1 PHE 78 1.653 5.685 -23.437 595 HD2 PHE 78 HD2 PHE 78 -0.344 3.429 -26.425 596 HE1 PHE 78 HE1 PHE 78 0.536 7.774 -24.269 597 HE2 PHE 78 HE2 PHE 78 -1.460 5.518 -27.257 598 HZ PHE 78 HZ PHE 78 -1.008 7.665 -26.168 599 H ILE 79 H ILE 79 2.023 -0.019 -25.672 600 HA ILE 79 HA ILE 79 3.220 -0.954 -23.371 601 HB ILE 79 HB ILE 79 2.408 -2.065 -25.988 602 1HG1 ILE 79 1HG1 ILE 79 1.776 -2.441 -23.088 603 2HG1 ILE 79 2HG1 ILE 79 0.702 -2.154 -24.443 604 1HG2 ILE 79 1HG2 ILE 79 4.646 -3.030 -25.755 605 2HG2 ILE 79 2HG2 ILE 79 4.232 -3.607 -24.123 606 3HG2 ILE 79 3HG2 ILE 79 3.376 -4.259 -25.542 607 1HD1 ILE 79 3HD1 ILE 79 2.255 -4.744 -23.978 608 2HD1 ILE 79 1HD1 ILE 79 0.535 -4.496 -23.594 609 3HD1 ILE 79 2HD1 ILE 79 1.083 -4.445 -25.286 610 H ILE 80 H ILE 80 5.279 -0.971 -22.650 611 HA ILE 80 HA ILE 80 7.367 -0.550 -24.667 612 HB ILE 80 HB ILE 80 8.591 0.022 -22.353 613 1HG1 ILE 80 1HG1 ILE 80 5.765 0.990 -21.862 614 2HG1 ILE 80 2HG1 ILE 80 6.425 -0.451 -21.113 615 1HG2 ILE 80 2HG2 ILE 80 7.384 1.489 -24.532 616 2HG2 ILE 80 3HG2 ILE 80 7.319 2.429 -23.022 617 3HG2 ILE 80 1HG2 ILE 80 8.879 1.820 -23.624 618 1HD1 ILE 80 1HD1 ILE 80 8.396 1.585 -20.764 619 2HD1 ILE 80 2HD1 ILE 80 6.824 2.323 -20.371 620 3HD1 ILE 80 3HD1 ILE 80 7.355 0.855 -19.517 621 H GLY 81 H GLY 81 6.079 -2.675 -22.161 622 1HA GLY 81 2HA GLY 81 8.281 -4.190 -21.486 623 2HA GLY 81 1HA GLY 81 7.737 -4.825 -23.026 624 H GLU 82 H GLU 82 7.676 -6.126 -20.351 625 HA GLU 82 HA GLU 82 4.900 -6.104 -19.645 626 1HB GLU 82 1HB GLU 82 5.966 -8.826 -20.343 627 2HB GLU 82 2HB GLU 82 4.312 -8.248 -20.340 628 1HG GLU 82 1HG GLU 82 4.789 -6.866 -22.371 629 2HG GLU 82 2HG GLU 82 6.447 -7.434 -22.371 630 H LEU 83 H LEU 83 4.494 -7.564 -17.697 631 HA LEU 83 HA LEU 83 6.667 -7.243 -15.882 632 1HB LEU 83 1HB LEU 83 4.138 -6.991 -15.486 633 2HB LEU 83 2HB LEU 83 4.111 -8.738 -15.361 634 HG LEU 83 HG LEU 83 4.464 -8.416 -13.181 635 1HD1 LEU 83 1HD1 LEU 83 6.666 -9.252 -13.925 636 2HD1 LEU 83 2HD1 LEU 83 7.253 -7.574 -14.015 637 3HD1 LEU 83 3HD1 LEU 83 6.765 -8.264 -12.448 638 1HD2 LEU 83 1HD2 LEU 83 4.705 -5.669 -14.058 639 2HD2 LEU 83 2HD2 LEU 83 4.066 -6.330 -12.533 640 3HD2 LEU 83 3HD2 LEU 83 5.808 -6.006 -12.701 641 H HIS 84 H HIS 84 8.323 -8.622 -15.564 642 HA HIS 84 HA HIS 84 8.389 -11.086 -16.917 643 1HB HIS 84 1HB HIS 84 10.212 -9.356 -15.678 644 2HB HIS 84 2HB HIS 84 10.321 -10.842 -14.756 645 HD1 HIS 84 HD1 HIS 84 9.509 -11.095 -18.416 646 HD2 HIS 84 HD2 HIS 84 12.863 -11.380 -15.912 647 HE1 HIS 84 HE1 HIS 84 11.372 -12.116 -19.829 648 HE2 HIS 84 HE2 HIS 84 13.421 -12.217 -18.253 649 HA PRO 85 HA PRO 85 7.145 -13.885 -13.828 650 1HB PRO 85 1HB PRO 85 9.174 -15.657 -13.370 651 2HB PRO 85 2HB PRO 85 8.135 -15.734 -14.779 652 1HG PRO 85 1HG PRO 85 10.935 -14.803 -14.589 653 2HG PRO 85 2HG PRO 85 10.033 -15.284 -16.012 654 1HD PRO 85 1HD PRO 85 10.652 -12.605 -15.198 655 2HD PRO 85 2HD PRO 85 9.653 -13.083 -16.556 656 H ASP 86 H ASP 86 9.041 -11.514 -12.980 657 HA ASP 86 HA ASP 86 9.885 -12.426 -10.449 658 1HB ASP 86 1HB ASP 86 11.167 -10.596 -10.915 659 2HB ASP 86 2HB ASP 86 9.997 -9.964 -12.058 660 H ASP 87 H ASP 87 6.964 -11.024 -11.870 661 HA ASP 87 HA ASP 87 5.420 -11.581 -9.665 662 1HB ASP 87 1HB ASP 87 6.523 -8.779 -9.813 663 2HB ASP 87 2HB ASP 87 4.844 -8.956 -9.343 664 H ARG 88 H ARG 88 5.078 -12.179 -12.296 665 HA ARG 88 HA ARG 88 3.492 -10.098 -13.499 666 1HB ARG 88 1HB ARG 88 3.445 -11.671 -15.476 667 2HB ARG 88 2HB ARG 88 5.069 -11.249 -14.974 668 1HG ARG 88 1HG ARG 88 4.978 -13.417 -13.514 669 2HG ARG 88 2HG ARG 88 3.573 -13.849 -14.467 670 1HD ARG 88 1HD ARG 88 4.979 -13.536 -16.567 671 2HD ARG 88 2HD ARG 88 6.376 -13.280 -15.541 672 HE ARG 88 HE ARG 88 5.368 -15.671 -14.597 673 1HH1 ARG 88 2HH1 ARG 88 5.931 -17.746 -15.373 674 2HH1 ARG 88 1HH1 ARG 88 6.487 -17.937 -17.002 675 1HH2 ARG 88 2HH2 ARG 88 6.237 -14.517 -17.805 676 2HH2 ARG 88 1HH2 ARG 88 6.664 -16.090 -18.394 677 H SER 89 H SER 89 3.229 -13.617 -12.604 678 HA SER 89 HA SER 89 0.464 -13.675 -13.115 679 1HB SER 89 1HB SER 89 2.132 -15.640 -13.109 680 2HB SER 89 2HB SER 89 2.030 -15.606 -11.360 681 HG SER 89 HG SER 89 -0.487 -15.582 -12.555 682 H LYS 90 H LYS 90 2.209 -12.096 -10.742 683 HA LYS 90 HA LYS 90 0.345 -12.681 -8.587 684 1HB LYS 90 1HB LYS 90 3.095 -11.756 -8.795 685 2HB LYS 90 2HB LYS 90 2.150 -10.701 -7.764 686 1HG LYS 90 1HG LYS 90 1.405 -12.612 -6.400 687 2HG LYS 90 2HG LYS 90 2.178 -13.743 -7.491 688 1HD LYS 90 1HD LYS 90 4.398 -12.915 -6.904 689 2HD LYS 90 2HD LYS 90 3.721 -11.569 -6.007 690 1HE LYS 90 1HE LYS 90 2.764 -14.251 -5.121 691 2HE LYS 90 2HE LYS 90 4.477 -13.974 -4.880 692 1HZ LYS 90 2HZ LYS 90 3.844 -11.859 -3.803 693 2HZ LYS 90 3HZ LYS 90 2.276 -12.309 -3.885 694 3HZ LYS 90 1HZ LYS 90 3.332 -13.185 -2.999 695 H ILE 91 H ILE 91 0.487 -10.728 -11.325 696 HA ILE 91 HA ILE 91 -1.372 -8.848 -10.071 697 HB ILE 91 HB ILE 91 -0.365 -6.979 -10.926 698 1HG1 ILE 91 1HG1 ILE 91 1.319 -8.664 -12.802 699 2HG1 ILE 91 2HG1 ILE 91 -0.183 -7.880 -13.251 700 1HG2 ILE 91 3HG2 ILE 91 1.027 -8.299 -9.182 701 2HG2 ILE 91 1HG2 ILE 91 2.154 -8.572 -10.532 702 3HG2 ILE 91 2HG2 ILE 91 1.768 -6.913 -10.018 703 1HD1 ILE 91 3HD1 ILE 91 1.660 -6.024 -11.895 704 2HD1 ILE 91 1HD1 ILE 91 2.362 -6.732 -13.370 705 3HD1 ILE 91 2HD1 ILE 91 0.819 -5.849 -13.454 706 H THR 92 H THR 92 -0.074 -10.431 -13.034 707 HA THR 92 HA THR 92 -1.654 -9.672 -15.001 708 HB THR 92 HB THR 92 0.005 -11.680 -14.787 709 HG1 THR 92 HG1 THR 92 -0.925 -12.316 -16.767 710 1HG2 THR 92 3HG2 THR 92 -1.415 -12.980 -13.122 711 2HG2 THR 92 1HG2 THR 92 -2.663 -13.128 -14.385 712 3HG2 THR 92 2HG2 THR 92 -1.069 -13.884 -14.615 713 H LYS 93 H LYS 93 -3.738 -9.877 -15.815 714 HA LYS 93 HA LYS 93 -5.681 -11.112 -14.016 715 1HB LYS 93 1HB LYS 93 -5.497 -8.222 -14.735 716 2HB LYS 93 2HB LYS 93 -7.094 -8.942 -14.717 717 1HG LYS 93 1HG LYS 93 -6.227 -9.965 -12.382 718 2HG LYS 93 2HG LYS 93 -5.145 -8.587 -12.442 719 1HD LYS 93 1HD LYS 93 -6.821 -7.099 -11.997 720 2HD LYS 93 2HD LYS 93 -7.916 -7.849 -13.140 721 1HE LYS 93 1HE LYS 93 -8.227 -9.740 -11.401 722 2HE LYS 93 2HE LYS 93 -7.373 -8.713 -10.267 723 1HZ LYS 93 3HZ LYS 93 -9.489 -7.407 -11.687 724 2HZ LYS 93 1HZ LYS 93 -9.986 -8.608 -10.698 725 3HZ LYS 93 2HZ LYS 93 -9.118 -7.363 -10.098 726 HA PRO 94 HA PRO 94 -6.465 -12.474 -18.163 727 1HB PRO 94 1HB PRO 94 -7.379 -14.962 -17.497 728 2HB PRO 94 2HB PRO 94 -5.692 -14.616 -17.827 729 1HG PRO 94 1HG PRO 94 -7.014 -15.088 -15.226 730 2HG PRO 94 2HG PRO 94 -5.308 -15.165 -15.619 731 1HD PRO 94 1HD PRO 94 -6.657 -13.046 -14.233 732 2HD PRO 94 2HD PRO 94 -4.976 -13.070 -14.730 733 H SER 95 H SER 95 -8.600 -12.911 -15.410 734 HA SER 95 HA SER 95 -10.615 -11.477 -16.679 735 1HB SER 95 1HB SER 95 -10.563 -13.941 -17.782 736 2HB SER 95 2HB SER 95 -11.518 -14.326 -16.364 737 HG SER 95 HG SER 95 -12.853 -13.687 -18.175 738 H GLU 96 H GLU 96 -12.618 -11.384 -15.267 739 HA GLU 96 HA GLU 96 -12.822 -12.778 -12.913 740 1HB GLU 96 1HB GLU 96 -10.685 -10.997 -12.716 741 2HB GLU 96 2HB GLU 96 -11.999 -10.092 -11.991 742 1HG GLU 96 1HG GLU 96 -12.415 -12.548 -10.835 743 2HG GLU 96 2HG GLU 96 -10.677 -12.604 -11.053 744 H SER 97 H SER 97 -14.425 -11.597 -11.338 745 HA SER 97 HA SER 97 -16.247 -10.461 -10.979 746 1HB SER 97 1HB SER 97 -14.847 -8.579 -12.257 747 2HB SER 97 2HB SER 97 -16.043 -8.833 -13.511 748 HG SER 97 HG SER 97 -16.727 -8.294 -10.750 749 H ILE 98 H ILE 98 -18.494 -10.738 -11.507 750 HA ILE 98 HA ILE 98 -19.089 -11.763 -14.161 751 HB ILE 98 HB ILE 98 -18.455 -13.687 -12.694 752 1HG1 ILE 98 1HG1 ILE 98 -21.354 -13.885 -13.485 753 2HG1 ILE 98 2HG1 ILE 98 -20.114 -13.657 -14.702 754 1HG2 ILE 98 2HG2 ILE 98 -20.710 -12.578 -11.073 755 2HG2 ILE 98 3HG2 ILE 98 -20.490 -14.343 -11.150 756 3HG2 ILE 98 1HG2 ILE 98 -19.172 -13.308 -10.554 757 1HD1 ILE 98 2HD1 ILE 98 -19.178 -15.700 -12.907 758 2HD1 ILE 98 3HD1 ILE 98 -20.857 -16.087 -13.353 759 3HD1 ILE 98 1HD1 ILE 98 -19.629 -15.864 -14.621 760 H ILE 99 H ILE 99 -21.450 -11.763 -14.600 761 HA ILE 99 HA ILE 99 -22.669 -9.560 -13.138 762 HB ILE 99 HB ILE 99 -23.280 -10.873 -15.784 763 1HG1 ILE 99 1HG1 ILE 99 -21.321 -9.500 -15.909 764 2HG1 ILE 99 2HG1 ILE 99 -22.640 -8.645 -16.683 765 1HG2 ILE 99 2HG2 ILE 99 -25.071 -9.477 -14.073 766 2HG2 ILE 99 3HG2 ILE 99 -24.682 -8.408 -15.442 767 3HG2 ILE 99 1HG2 ILE 99 -25.332 -10.040 -15.742 768 1HD1 ILE 99 1HD1 ILE 99 -22.955 -7.663 -14.180 769 2HD1 ILE 99 2HD1 ILE 99 -21.212 -8.025 -14.122 770 3HD1 ILE 99 3HD1 ILE 99 -21.851 -6.920 -15.363 771 H THR 100 H THR 100 -24.261 -9.855 -11.667 772 HA THR 100 HA THR 100 -25.213 -12.575 -11.274 773 HB THR 100 HB THR 100 -24.309 -11.094 -9.406 774 HG1 THR 100 HG1 THR 100 -25.852 -12.134 -8.155 775 1HG2 THR 100 2HG2 THR 100 -25.899 -9.098 -10.479 776 2HG2 THR 100 3HG2 THR 100 -26.966 -9.748 -9.210 777 3HG2 THR 100 1HG2 THR 100 -25.352 -9.127 -8.785 778 H THR 101 H THR 101 -27.625 -12.749 -10.573 779 HA THR 101 HA THR 101 -29.132 -11.702 -12.828 780 HB THR 101 HB THR 101 -29.183 -14.135 -12.196 781 HG1 THR 101 HG1 THR 101 -31.619 -12.622 -11.571 782 1HG2 THR 101 3HG2 THR 101 -30.312 -12.953 -9.619 783 2HG2 THR 101 1HG2 THR 101 -30.751 -14.593 -10.159 784 3HG2 THR 101 2HG2 THR 101 -29.054 -14.200 -9.795 785 H ILE 102 H ILE 102 -31.197 -10.645 -12.607 786 HA ILE 102 HA ILE 102 -31.454 -9.260 -10.032 787 HB ILE 102 HB ILE 102 -30.417 -7.949 -11.994 788 1HG1 ILE 102 1HG1 ILE 102 -32.727 -6.397 -11.002 789 2HG1 ILE 102 2HG1 ILE 102 -31.818 -7.224 -9.752 790 1HG2 ILE 102 3HG2 ILE 102 -32.528 -8.841 -13.416 791 2HG2 ILE 102 1HG2 ILE 102 -33.168 -7.276 -12.860 792 3HG2 ILE 102 2HG2 ILE 102 -31.648 -7.339 -13.783 793 1HD1 ILE 102 1HD1 ILE 102 -30.180 -5.829 -11.833 794 2HD1 ILE 102 2HD1 ILE 102 -31.111 -4.787 -10.730 795 3HD1 ILE 102 3HD1 ILE 102 -29.927 -5.944 -10.075 796 H ASP 103 H ASP 103 -33.770 -8.166 -9.957 797 HA ASP 103 HA ASP 103 -35.577 -10.174 -9.840 798 1HB ASP 103 1HB ASP 103 -35.583 -7.254 -9.677 799 2HB ASP 103 2HB ASP 103 -37.062 -7.814 -10.432 800 H SER 104 H SER 104 -37.857 -9.982 -11.163 801 HA SER 104 HA SER 104 -37.123 -10.440 -13.876 802 1HB SER 104 1HB SER 104 -39.433 -11.207 -14.145 803 2HB SER 104 2HB SER 104 -38.754 -11.890 -12.683 804 HG SER 104 HG SER 104 -41.020 -10.555 -12.863 No H/Q in entry = 804 Start of MODEL 6 1 H ALA 1 H ALA 1 30.054 -2.511 -32.577 2 HA ALA 1 HA ALA 1 32.074 -1.428 -34.414 3 1HB ALA 1 3HB ALA 1 30.745 -4.025 -35.068 4 2HB ALA 1 1HB ALA 1 32.397 -3.465 -35.423 5 3HB ALA 1 2HB ALA 1 31.986 -4.052 -33.793 6 H GLU 2 H GLU 2 28.747 -2.823 -34.023 7 HA GLU 2 HA GLU 2 27.514 -0.653 -35.161 8 1HB GLU 2 1HB GLU 2 28.790 -1.753 -37.209 9 2HB GLU 2 2HB GLU 2 27.470 -2.905 -37.179 10 1HG GLU 2 1HG GLU 2 26.160 -0.435 -36.945 11 2HG GLU 2 2HG GLU 2 27.475 -0.081 -38.048 12 H GLU 3 H GLU 3 25.785 -0.856 -33.788 13 HA GLU 3 HA GLU 3 23.826 -2.698 -34.271 14 1HB GLU 3 1HB GLU 3 25.846 -4.044 -32.997 15 2HB GLU 3 2HB GLU 3 24.918 -3.504 -31.612 16 1HG GLU 3 1HG GLU 3 22.897 -4.389 -33.271 17 2HG GLU 3 2HG GLU 3 24.192 -5.477 -33.729 18 H SER 4 H SER 4 22.139 -2.702 -32.347 19 HA SER 4 HA SER 4 22.351 -0.917 -30.290 20 1HB SER 4 1HB SER 4 22.357 0.592 -32.548 21 2HB SER 4 2HB SER 4 20.624 0.441 -32.332 22 HG SER 4 HG SER 4 20.749 1.915 -30.797 23 H SER 5 H SER 5 20.173 -0.545 -29.223 24 HA SER 5 HA SER 5 17.859 -1.598 -30.325 25 1HB SER 5 1HB SER 5 19.152 -3.757 -29.987 26 2HB SER 5 2HB SER 5 19.148 -3.438 -28.262 27 HG SER 5 HG SER 5 16.966 -3.789 -28.142 28 H LYS 6 H LYS 6 16.166 -2.002 -28.377 29 HA LYS 6 HA LYS 6 16.605 -1.085 -25.848 30 1HB LYS 6 1HB LYS 6 16.491 1.121 -27.802 31 2HB LYS 6 2HB LYS 6 15.382 1.298 -26.455 32 1HG LYS 6 1HG LYS 6 17.851 0.355 -25.350 33 2HG LYS 6 2HG LYS 6 18.272 1.619 -26.489 34 1HD LYS 6 1HD LYS 6 17.487 3.236 -25.100 35 2HD LYS 6 2HD LYS 6 15.936 2.435 -24.946 36 1HE LYS 6 1HE LYS 6 16.691 2.341 -22.734 37 2HE LYS 6 2HE LYS 6 17.245 0.787 -23.328 38 1HZ LYS 6 2HZ LYS 6 19.040 3.017 -23.693 39 2HZ LYS 6 3HZ LYS 6 18.835 2.493 -22.160 40 3HZ LYS 6 1HZ LYS 6 19.372 1.465 -23.309 41 H ALA 7 H ALA 7 14.868 -1.836 -24.755 42 HA ALA 7 HA ALA 7 12.279 -1.275 -25.124 43 1HB ALA 7 2HB ALA 7 11.600 -3.532 -26.367 44 2HB ALA 7 1HB ALA 7 13.204 -3.329 -27.111 45 3HB ALA 7 3HB ALA 7 11.975 -2.053 -27.282 46 H VAL 8 H VAL 8 12.091 -1.599 -22.933 47 HA VAL 8 HA VAL 8 13.280 -3.369 -21.341 48 HB VAL 8 HB VAL 8 11.961 -2.028 -20.131 49 1HG1 VAL 8 3HG1 VAL 8 10.256 -2.034 -22.557 50 2HG1 VAL 8 1HG1 VAL 8 9.417 -1.707 -21.023 51 3HG1 VAL 8 2HG1 VAL 8 10.784 -0.684 -21.526 52 1HG2 VAL 8 1HG2 VAL 8 11.263 -4.467 -19.676 53 2HG2 VAL 8 2HG2 VAL 8 10.218 -3.169 -19.048 54 3HG2 VAL 8 3HG2 VAL 8 9.753 -4.051 -20.523 55 H LYS 9 H LYS 9 10.036 -4.068 -22.840 56 HA LYS 9 HA LYS 9 9.216 -5.953 -23.674 57 1HB LYS 9 1HB LYS 9 12.039 -6.398 -23.906 58 2HB LYS 9 2HB LYS 9 11.286 -7.894 -23.393 59 1HG LYS 9 1HG LYS 9 9.484 -7.223 -25.280 60 2HG LYS 9 2HG LYS 9 10.836 -6.308 -25.918 61 1HD LYS 9 1HD LYS 9 12.195 -8.553 -25.577 62 2HD LYS 9 2HD LYS 9 10.613 -9.306 -25.510 63 1HE LYS 9 1HE LYS 9 11.342 -7.425 -27.786 64 2HE LYS 9 2HE LYS 9 11.803 -9.115 -27.836 65 1HZ LYS 9 2HZ LYS 9 9.050 -8.490 -27.185 66 2HZ LYS 9 3HZ LYS 9 9.522 -8.311 -28.739 67 3HZ LYS 9 1HZ LYS 9 9.659 -9.765 -28.006 68 H TYR 10 H TYR 10 11.495 -6.772 -20.960 69 HA TYR 10 HA TYR 10 9.160 -7.723 -19.473 70 1HB TYR 10 1HB TYR 10 11.489 -9.360 -18.937 71 2HB TYR 10 2HB TYR 10 9.989 -9.884 -19.675 72 HD1 TYR 10 HD1 TYR 10 13.342 -8.454 -20.425 73 HD2 TYR 10 HD2 TYR 10 9.876 -10.414 -21.991 74 HE1 TYR 10 HE1 TYR 10 14.556 -8.864 -22.621 75 HE2 TYR 10 HE2 TYR 10 11.102 -10.817 -24.181 76 HH TYR 10 HH TYR 10 14.170 -9.328 -24.829 77 H TYR 11 H TYR 11 9.102 -6.460 -17.681 78 HA TYR 11 HA TYR 11 11.679 -5.952 -16.355 79 1HB TYR 11 1HB TYR 11 9.439 -4.235 -17.345 80 2HB TYR 11 2HB TYR 11 9.812 -3.927 -15.661 81 HD1 TYR 11 HD1 TYR 11 12.411 -4.986 -18.059 82 HD2 TYR 11 HD2 TYR 11 10.600 -1.669 -16.054 83 HE1 TYR 11 HE1 TYR 11 14.349 -3.496 -18.758 84 HE2 TYR 11 HE2 TYR 11 12.544 -0.191 -16.759 85 HH TYR 11 HH TYR 11 14.291 -0.438 -18.947 86 H THR 12 H THR 12 11.227 -5.196 -13.961 87 HA THR 12 HA THR 12 9.276 -7.108 -12.871 88 HB THR 12 HB THR 12 10.773 -7.228 -10.961 89 HG1 THR 12 HG1 THR 12 12.242 -5.101 -12.342 90 1HG2 THR 12 1HG2 THR 12 11.775 -7.732 -13.598 91 2HG2 THR 12 2HG2 THR 12 13.071 -6.889 -12.717 92 3HG2 THR 12 3HG2 THR 12 12.392 -8.400 -12.068 93 H LEU 13 H LEU 13 7.930 -6.508 -11.096 94 HA LEU 13 HA LEU 13 6.571 -4.192 -11.408 95 1HB LEU 13 1HB LEU 13 6.880 -6.203 -9.280 96 2HB LEU 13 2HB LEU 13 6.271 -4.651 -8.738 97 HG LEU 13 HG LEU 13 5.041 -6.559 -10.723 98 1HD1 LEU 13 1HD1 LEU 13 4.568 -6.923 -8.343 99 2HD1 LEU 13 2HD1 LEU 13 3.958 -5.255 -8.210 100 3HD1 LEU 13 3HD1 LEU 13 3.110 -6.433 -9.241 101 1HD2 LEU 13 3HD2 LEU 13 4.580 -3.606 -10.449 102 2HD2 LEU 13 1HD2 LEU 13 4.680 -4.614 -11.913 103 3HD2 LEU 13 2HD2 LEU 13 3.234 -4.688 -10.879 104 H GLU 14 H GLU 14 9.574 -4.745 -9.536 105 HA GLU 14 HA GLU 14 9.547 -2.312 -8.209 106 1HB GLU 14 1HB GLU 14 11.304 -4.566 -8.502 107 2HB GLU 14 2HB GLU 14 12.259 -3.124 -8.783 108 1HG GLU 14 1HG GLU 14 11.048 -2.198 -6.622 109 2HG GLU 14 2HG GLU 14 10.670 -3.881 -6.311 110 H GLU 15 H GLU 15 11.199 -3.328 -11.284 111 HA GLU 15 HA GLU 15 12.424 -0.976 -11.841 112 1HB GLU 15 1HB GLU 15 11.330 -3.226 -13.515 113 2HB GLU 15 2HB GLU 15 11.869 -1.782 -14.347 114 1HG GLU 15 1HG GLU 15 14.057 -1.975 -12.979 115 2HG GLU 15 2HG GLU 15 13.508 -3.568 -12.499 116 H ILE 16 H ILE 16 8.996 -1.905 -12.300 117 HA ILE 16 HA ILE 16 8.403 0.492 -13.767 118 HB ILE 16 HB ILE 16 6.476 -1.468 -12.529 119 1HG1 ILE 16 1HG1 ILE 16 7.100 -1.871 -15.360 120 2HG1 ILE 16 2HG1 ILE 16 8.485 -2.152 -14.324 121 1HG2 ILE 16 2HG2 ILE 16 6.238 0.873 -14.243 122 2HG2 ILE 16 3HG2 ILE 16 5.515 -0.578 -14.979 123 3HG2 ILE 16 1HG2 ILE 16 4.988 -0.041 -13.365 124 1HD1 ILE 16 2HD1 ILE 16 6.080 -3.303 -13.127 125 2HD1 ILE 16 3HD1 ILE 16 6.329 -3.919 -14.780 126 3HD1 ILE 16 1HD1 ILE 16 7.614 -4.098 -13.560 127 H GLN 17 H GLN 17 8.332 -0.675 -10.403 128 HA GLN 17 HA GLN 17 6.665 1.334 -9.432 129 1HB GLN 17 1HB GLN 17 7.713 -0.939 -8.388 130 2HB GLN 17 2HB GLN 17 8.817 0.216 -7.666 131 1HG GLN 17 1HG GLN 17 6.226 1.361 -7.372 132 2HG GLN 17 2HG GLN 17 6.033 -0.337 -6.980 133 1HE2 GLN 17 1HE2 GLN 17 5.647 1.491 -5.055 134 2HE2 GLN 17 2HE2 GLN 17 6.914 1.469 -3.874 135 H LYS 18 H LYS 18 10.158 1.163 -10.135 136 HA LYS 18 HA LYS 18 10.818 3.520 -8.699 137 1HB LYS 18 1HB LYS 18 12.328 2.134 -10.934 138 2HB LYS 18 2HB LYS 18 12.979 3.308 -9.810 139 1HG LYS 18 1HG LYS 18 11.635 0.814 -8.736 140 2HG LYS 18 2HG LYS 18 13.273 0.710 -9.346 141 1HD LYS 18 1HD LYS 18 12.333 2.646 -7.176 142 2HD LYS 18 2HD LYS 18 13.199 1.151 -6.880 143 1HE LYS 18 1HE LYS 18 15.009 2.139 -8.522 144 2HE LYS 18 2HE LYS 18 14.213 3.674 -8.235 145 1HZ LYS 18 3HZ LYS 18 15.266 1.916 -6.128 146 2HZ LYS 18 1HZ LYS 18 16.002 3.263 -6.683 147 3HZ LYS 18 2HZ LYS 18 14.578 3.377 -5.892 148 H HIS 19 H HIS 19 9.575 2.764 -11.939 149 HA HIS 19 HA HIS 19 10.013 5.518 -12.752 150 1HB HIS 19 1HB HIS 19 9.097 3.042 -14.226 151 2HB HIS 19 2HB HIS 19 9.063 4.639 -14.946 152 HD1 HIS 19 HD1 HIS 19 11.069 5.101 -16.343 153 HD2 HIS 19 HD2 HIS 19 11.953 2.540 -13.140 154 HE1 HIS 19 HE1 HIS 19 13.541 4.510 -16.561 155 HE2 HIS 19 HE2 HIS 19 14.039 2.979 -14.534 156 H ASN 20 H ASN 20 8.535 6.539 -11.266 157 HA ASN 20 HA ASN 20 5.776 6.103 -12.089 158 1HB ASN 20 1HB ASN 20 5.935 5.142 -9.858 159 2HB ASN 20 2HB ASN 20 6.894 6.487 -9.271 160 1HD2 ASN 20 1HD2 ASN 20 4.188 6.905 -11.445 161 2HD2 ASN 20 2HD2 ASN 20 3.093 7.658 -10.334 162 H ASN 21 H ASN 21 7.938 8.036 -12.929 163 HA ASN 21 HA ASN 21 6.937 10.488 -11.740 164 1HB ASN 21 1HB ASN 21 9.310 10.159 -13.643 165 2HB ASN 21 2HB ASN 21 8.954 11.551 -12.640 166 1HD2 ASN 21 1HD2 ASN 21 11.315 9.824 -12.782 167 2HD2 ASN 21 2HD2 ASN 21 11.596 9.211 -11.186 168 H SER 22 H SER 22 6.703 12.381 -13.407 169 HA SER 22 HA SER 22 5.048 11.449 -15.505 170 1HB SER 22 1HB SER 22 5.759 14.052 -14.258 171 2HB SER 22 2HB SER 22 5.383 14.158 -15.966 172 HG SER 22 HG SER 22 3.682 13.785 -13.833 173 H LYS 23 H LYS 23 8.195 11.078 -15.360 174 HA LYS 23 HA LYS 23 8.659 12.012 -18.107 175 1HB LYS 23 1HB LYS 23 10.057 12.756 -15.778 176 2HB LYS 23 2HB LYS 23 11.102 11.613 -16.599 177 1HG LYS 23 1HG LYS 23 10.994 12.905 -18.679 178 2HG LYS 23 2HG LYS 23 9.772 13.970 -18.012 179 1HD LYS 23 1HD LYS 23 11.493 14.585 -16.184 180 2HD LYS 23 2HD LYS 23 12.686 13.736 -17.148 181 1HE LYS 23 1HE LYS 23 12.181 15.232 -19.092 182 2HE LYS 23 2HE LYS 23 10.982 16.077 -18.131 183 1HZ LYS 23 1HZ LYS 23 13.397 15.962 -16.727 184 2HZ LYS 23 2HZ LYS 23 13.681 16.557 -18.221 185 3HZ LYS 23 3HZ LYS 23 12.582 17.278 -17.250 186 H SER 24 H SER 24 8.140 9.391 -16.028 187 HA SER 24 HA SER 24 9.044 7.619 -18.087 188 1HB SER 24 1HB SER 24 10.702 8.077 -15.827 189 2HB SER 24 2HB SER 24 9.939 6.529 -15.533 190 HG SER 24 HG SER 24 11.618 7.319 -17.731 191 H THR 25 H THR 25 6.551 8.652 -16.575 192 HA THR 25 HA THR 25 5.456 6.926 -14.822 193 HB THR 25 HB THR 25 3.637 7.676 -17.049 194 HG1 THR 25 HG1 THR 25 4.811 9.523 -17.411 195 1HG2 THR 25 2HG2 THR 25 3.838 7.914 -14.091 196 2HG2 THR 25 3HG2 THR 25 3.185 9.371 -14.880 197 3HG2 THR 25 1HG2 THR 25 2.388 7.796 -15.117 198 H TRP 26 H TRP 26 5.870 4.769 -14.810 199 HA TRP 26 HA TRP 26 5.012 3.322 -17.224 200 1HB TRP 26 1HB TRP 26 7.219 2.641 -15.273 201 2HB TRP 26 2HB TRP 26 6.624 1.561 -16.520 202 HD1 TRP 26 HD1 TRP 26 6.456 4.487 -18.471 203 HE1 TRP 26 HE1 TRP 26 8.638 5.136 -19.806 204 HE3 TRP 26 HE3 TRP 26 9.624 1.595 -15.740 205 HZ2 TRP 26 HZ2 TRP 26 11.381 4.385 -19.576 206 HZ3 TRP 26 HZ3 TRP 26 12.037 1.609 -16.361 207 HH2 TRP 26 HH2 TRP 26 12.930 2.942 -18.207 208 H LEU 27 H LEU 27 3.749 1.403 -16.845 209 HA LEU 27 HA LEU 27 3.131 0.654 -14.151 210 1HB LEU 27 1HB LEU 27 0.959 1.351 -13.972 211 2HB LEU 27 2HB LEU 27 1.743 2.741 -14.695 212 HG LEU 27 HG LEU 27 -0.171 2.634 -15.945 213 1HD1 LEU 27 1HD1 LEU 27 2.038 2.216 -17.318 214 2HD1 LEU 27 2HD1 LEU 27 1.254 0.661 -17.687 215 3HD1 LEU 27 3HD1 LEU 27 0.443 2.188 -18.108 216 1HD2 LEU 27 3HD2 LEU 27 -0.526 0.168 -14.824 217 2HD2 LEU 27 1HD2 LEU 27 -1.594 0.906 -16.042 218 3HD2 LEU 27 2HD2 LEU 27 -0.331 -0.243 -16.545 219 H ILE 28 H ILE 28 1.172 -1.066 -14.339 220 HA ILE 28 HA ILE 28 1.823 -2.674 -16.712 221 HB ILE 28 HB ILE 28 0.797 -4.026 -14.301 222 1HG1 ILE 28 1HG1 ILE 28 2.411 -2.202 -13.475 223 2HG1 ILE 28 2HG1 ILE 28 2.682 -3.853 -12.950 224 1HG2 ILE 28 2HG2 ILE 28 2.837 -4.542 -16.454 225 2HG2 ILE 28 3HG2 ILE 28 2.774 -5.540 -14.981 226 3HG2 ILE 28 1HG2 ILE 28 1.359 -5.448 -16.056 227 1HD1 ILE 28 2HD1 ILE 28 4.036 -3.010 -15.495 228 2HD1 ILE 28 3HD1 ILE 28 4.660 -2.328 -13.974 229 3HD1 ILE 28 1HD1 ILE 28 4.614 -4.093 -14.206 230 H LEU 29 H LEU 29 0.155 -3.386 -17.987 231 HA LEU 29 HA LEU 29 -2.548 -2.964 -16.938 232 1HB LEU 29 1HB LEU 29 -1.383 -1.277 -18.746 233 2HB LEU 29 2HB LEU 29 -2.174 -2.426 -19.806 234 HG LEU 29 HG LEU 29 -3.348 -0.424 -17.940 235 1HD1 LEU 29 1HD1 LEU 29 -3.935 -1.447 -20.718 236 2HD1 LEU 29 2HD1 LEU 29 -5.063 -0.392 -19.834 237 3HD1 LEU 29 3HD1 LEU 29 -3.418 0.178 -20.208 238 1HD2 LEU 29 3HD2 LEU 29 -4.404 -3.199 -18.265 239 2HD2 LEU 29 1HD2 LEU 29 -4.463 -2.102 -16.865 240 3HD2 LEU 29 2HD2 LEU 29 -5.560 -1.846 -18.243 241 H HIS 30 H HIS 30 -3.670 -4.830 -16.970 242 HA HIS 30 HA HIS 30 -4.444 -6.777 -17.650 243 1HB HIS 30 1HB HIS 30 -2.822 -6.525 -20.193 244 2HB HIS 30 2HB HIS 30 -4.219 -7.544 -19.915 245 HD1 HIS 30 HD1 HIS 30 -3.246 -4.195 -21.080 246 HD2 HIS 30 HD2 HIS 30 -6.718 -6.016 -19.589 247 HE1 HIS 30 HE1 HIS 30 -5.181 -2.648 -21.690 248 HE2 HIS 30 HE2 HIS 30 -7.294 -3.848 -20.797 249 H TYR 31 H TYR 31 -0.941 -6.201 -18.231 250 HA TYR 31 HA TYR 31 0.034 -7.899 -16.396 251 1HB TYR 31 1HB TYR 31 -0.711 -9.960 -17.218 252 2HB TYR 31 2HB TYR 31 -1.178 -9.252 -18.750 253 HD1 TYR 31 HD1 TYR 31 -0.068 -9.978 -20.654 254 HD2 TYR 31 HD2 TYR 31 1.962 -10.153 -16.891 255 HE1 TYR 31 HE1 TYR 31 1.922 -11.100 -21.771 256 HE2 TYR 31 HE2 TYR 31 3.944 -11.274 -18.020 257 HH TYR 31 HH TYR 31 3.811 -12.742 -20.848 258 H LYS 32 H LYS 32 0.193 -6.158 -19.353 259 HA LYS 32 HA LYS 32 3.074 -6.595 -19.574 260 1HB LYS 32 1HB LYS 32 1.155 -5.190 -21.457 261 2HB LYS 32 2HB LYS 32 2.859 -5.470 -21.748 262 1HG LYS 32 1HG LYS 32 2.465 -7.592 -22.449 263 2HG LYS 32 2HG LYS 32 1.588 -7.976 -20.982 264 1HD LYS 32 1HD LYS 32 -0.402 -7.855 -22.066 265 2HD LYS 32 2HD LYS 32 -0.054 -6.229 -22.621 266 1HE LYS 32 1HE LYS 32 1.497 -7.420 -24.398 267 2HE LYS 32 2HE LYS 32 0.587 -8.861 -23.992 268 1HZ LYS 32 2HZ LYS 32 -1.356 -7.090 -24.328 269 2HZ LYS 32 3HZ LYS 32 -0.267 -6.522 -25.404 270 3HZ LYS 32 1HZ LYS 32 -0.800 -8.061 -25.517 271 H VAL 33 H VAL 33 4.309 -4.451 -20.187 272 HA VAL 33 HA VAL 33 3.506 -2.490 -18.160 273 HB VAL 33 HB VAL 33 6.219 -2.922 -19.415 274 1HG1 VAL 33 1HG1 VAL 33 5.563 -0.689 -18.287 275 2HG1 VAL 33 2HG1 VAL 33 5.627 -1.607 -16.763 276 3HG1 VAL 33 3HG1 VAL 33 7.079 -1.476 -17.784 277 1HG2 VAL 33 2HG2 VAL 33 5.299 -4.924 -18.130 278 2HG2 VAL 33 3HG2 VAL 33 6.861 -4.272 -17.577 279 3HG2 VAL 33 1HG2 VAL 33 5.370 -3.897 -16.678 280 H TYR 34 H TYR 34 2.945 -0.446 -18.769 281 HA TYR 34 HA TYR 34 3.444 0.243 -21.586 282 1HB TYR 34 1HB TYR 34 1.166 1.037 -19.667 283 2HB TYR 34 2HB TYR 34 1.237 1.447 -21.369 284 HD1 TYR 34 HD1 TYR 34 -0.147 0.223 -22.758 285 HD2 TYR 34 HD2 TYR 34 1.461 -1.669 -19.274 286 HE1 TYR 34 HE1 TYR 34 -1.415 -1.908 -23.321 287 HE2 TYR 34 HE2 TYR 34 0.187 -3.793 -19.848 288 HH TYR 34 HH TYR 34 -2.019 -3.878 -22.618 289 H ASP 35 H ASP 35 3.915 2.465 -22.059 290 HA ASP 35 HA ASP 35 5.178 3.749 -19.821 291 1HB ASP 35 1HB ASP 35 5.577 3.621 -22.673 292 2HB ASP 35 2HB ASP 35 5.303 5.302 -22.261 293 H LEU 36 H LEU 36 3.367 4.632 -18.628 294 HA LEU 36 HA LEU 36 1.168 5.868 -19.761 295 1HB LEU 36 1HB LEU 36 2.519 6.074 -17.084 296 2HB LEU 36 2HB LEU 36 1.109 7.041 -17.464 297 HG LEU 36 HG LEU 36 1.332 4.060 -17.152 298 1HD1 LEU 36 2HD1 LEU 36 0.306 6.223 -15.603 299 2HD1 LEU 36 3HD1 LEU 36 -1.054 5.180 -16.080 300 3HD1 LEU 36 1HD1 LEU 36 0.339 4.486 -15.219 301 1HD2 LEU 36 1HD2 LEU 36 -0.564 5.540 -18.921 302 2HD2 LEU 36 2HD2 LEU 36 0.148 3.916 -19.097 303 3HD2 LEU 36 3HD2 LEU 36 -1.191 4.183 -17.952 304 H THR 37 H THR 37 4.487 6.988 -19.308 305 HA THR 37 HA THR 37 4.091 9.731 -19.354 306 HB THR 37 HB THR 37 6.287 7.807 -20.185 307 HG1 THR 37 HG1 THR 37 7.209 9.090 -18.356 308 1HG2 THR 37 3HG2 THR 37 6.226 10.843 -20.540 309 2HG2 THR 37 1HG2 THR 37 7.743 9.937 -20.322 310 3HG2 THR 37 2HG2 THR 37 6.714 9.621 -21.741 311 H LYS 38 H LYS 38 4.121 7.354 -22.043 312 HA LYS 38 HA LYS 38 3.968 9.411 -24.015 313 1HB LYS 38 1HB LYS 38 3.816 6.405 -24.020 314 2HB LYS 38 2HB LYS 38 3.353 7.311 -25.447 315 1HG LYS 38 1HG LYS 38 5.516 8.098 -25.832 316 2HG LYS 38 2HG LYS 38 5.945 8.084 -24.134 317 1HD LYS 38 1HD LYS 38 7.187 6.266 -24.967 318 2HD LYS 38 2HD LYS 38 5.765 5.472 -24.322 319 1HE LYS 38 1HE LYS 38 4.788 5.198 -26.502 320 2HE LYS 38 2HE LYS 38 5.875 6.363 -27.230 321 1HZ LYS 38 1HZ LYS 38 7.189 4.165 -25.957 322 2HZ LYS 38 2HZ LYS 38 6.266 3.736 -27.233 323 3HZ LYS 38 3HZ LYS 38 7.460 4.834 -27.422 324 H PHE 39 H PHE 39 1.768 7.978 -21.784 325 HA PHE 39 HA PHE 39 -0.461 9.008 -23.394 326 1HB PHE 39 1HB PHE 39 -0.266 6.449 -23.054 327 2HB PHE 39 2HB PHE 39 -0.406 6.728 -21.329 328 HD1 PHE 39 HD1 PHE 39 -2.447 5.870 -20.665 329 HD2 PHE 39 HD2 PHE 39 -2.277 8.225 -24.190 330 HE1 PHE 39 HE1 PHE 39 -4.949 5.773 -20.851 331 HE2 PHE 39 HE2 PHE 39 -4.778 8.128 -24.376 332 HZ PHE 39 HZ PHE 39 -6.084 6.904 -22.703 333 H LEU 40 H LEU 40 0.826 10.842 -21.845 334 HA LEU 40 HA LEU 40 -0.583 10.866 -19.286 335 1HB LEU 40 1HB LEU 40 2.027 11.429 -19.973 336 2HB LEU 40 2HB LEU 40 1.311 13.024 -19.849 337 HG LEU 40 HG LEU 40 0.367 11.902 -17.559 338 1HD1 LEU 40 2HD1 LEU 40 1.726 9.821 -18.139 339 2HD1 LEU 40 3HD1 LEU 40 3.167 10.792 -17.750 340 3HD1 LEU 40 1HD1 LEU 40 1.928 10.499 -16.506 341 1HD2 LEU 40 2HD2 LEU 40 1.530 14.083 -17.876 342 2HD2 LEU 40 3HD2 LEU 40 2.001 13.219 -16.393 343 3HD2 LEU 40 1HD2 LEU 40 3.084 13.218 -17.806 344 H GLU 41 H GLU 41 -0.229 12.563 -22.415 345 HA GLU 41 HA GLU 41 -1.697 14.807 -21.695 346 1HB GLU 41 1HB GLU 41 -0.695 13.557 -24.191 347 2HB GLU 41 2HB GLU 41 -2.141 14.520 -24.416 348 1HG GLU 41 1HG GLU 41 -1.105 16.507 -23.607 349 2HG GLU 41 2HG GLU 41 0.171 15.624 -22.792 350 H GLU 42 H GLU 42 -2.699 11.865 -23.595 351 HA GLU 42 HA GLU 42 -5.328 12.518 -23.827 352 1HB GLU 42 1HB GLU 42 -3.822 9.904 -23.741 353 2HB GLU 42 2HB GLU 42 -5.574 9.865 -23.784 354 1HG GLU 42 1HG GLU 42 -4.255 11.714 -25.741 355 2HG GLU 42 2HG GLU 42 -4.016 10.001 -26.025 356 H HIS 43 H HIS 43 -6.938 10.511 -22.700 357 HA HIS 43 HA HIS 43 -7.823 9.727 -20.810 358 1HB HIS 43 1HB HIS 43 -5.246 10.208 -19.921 359 2HB HIS 43 2HB HIS 43 -6.216 11.172 -18.828 360 HD1 HIS 43 HD1 HIS 43 -4.753 8.007 -18.869 361 HD2 HIS 43 HD2 HIS 43 -8.650 9.311 -18.023 362 HE1 HIS 43 HE1 HIS 43 -5.836 6.167 -17.470 363 HE2 HIS 43 HE2 HIS 43 -8.207 7.049 -16.934 364 HA PRO 44 HA PRO 44 -10.298 13.303 -20.426 365 1HB PRO 44 1HB PRO 44 -12.570 12.069 -19.538 366 2HB PRO 44 2HB PRO 44 -12.155 12.207 -21.235 367 1HG PRO 44 1HG PRO 44 -11.994 9.839 -19.473 368 2HG PRO 44 2HG PRO 44 -11.997 9.906 -21.224 369 1HD PRO 44 1HD PRO 44 -9.724 9.470 -19.529 370 2HD PRO 44 2HD PRO 44 -9.712 9.654 -21.272 371 H GLY 45 H GLY 45 -8.757 11.697 -18.119 372 1HA GLY 45 2HA GLY 45 -9.091 11.720 -15.765 373 2HA GLY 45 1HA GLY 45 -10.132 13.120 -15.932 374 H GLY 46 H GLY 46 -6.856 12.373 -17.321 375 1HA GLY 46 2HA GLY 46 -5.693 14.509 -15.695 376 2HA GLY 46 1HA GLY 46 -5.672 14.715 -17.434 377 H GLU 47 H GLU 47 -3.278 14.543 -15.930 378 HA GLU 47 HA GLU 47 -2.155 12.235 -17.202 379 1HB GLU 47 1HB GLU 47 -0.967 14.619 -15.734 380 2HB GLU 47 2HB GLU 47 0.025 13.280 -16.278 381 1HG GLU 47 1HG GLU 47 -0.307 13.761 -18.547 382 2HG GLU 47 2HG GLU 47 -1.867 14.513 -18.274 383 H GLU 48 H GLU 48 -2.542 13.591 -13.874 384 HA GLU 48 HA GLU 48 -1.101 11.772 -12.491 385 1HB GLU 48 1HB GLU 48 -2.833 13.839 -11.870 386 2HB GLU 48 2HB GLU 48 -3.702 12.457 -11.232 387 1HG GLU 48 1HG GLU 48 -2.114 12.027 -9.604 388 2HG GLU 48 2HG GLU 48 -0.775 12.507 -10.627 389 H VAL 49 H VAL 49 -4.529 11.500 -13.616 390 HA VAL 49 HA VAL 49 -5.369 9.260 -12.432 391 HB VAL 49 HB VAL 49 -6.581 10.623 -14.094 392 1HG1 VAL 49 1HG1 VAL 49 -4.482 10.295 -15.749 393 2HG1 VAL 49 2HG1 VAL 49 -5.541 9.005 -16.367 394 3HG1 VAL 49 3HG1 VAL 49 -6.122 10.687 -16.322 395 1HG2 VAL 49 1HG2 VAL 49 -6.550 7.625 -14.570 396 2HG2 VAL 49 2HG2 VAL 49 -7.554 8.524 -13.407 397 3HG2 VAL 49 3HG2 VAL 49 -7.819 8.728 -15.154 398 H LEU 50 H LEU 50 -2.722 9.542 -14.769 399 HA LEU 50 HA LEU 50 -2.526 6.626 -14.870 400 1HB LEU 50 1HB LEU 50 -1.107 8.733 -16.506 401 2HB LEU 50 2HB LEU 50 -0.981 7.000 -16.720 402 HG LEU 50 HG LEU 50 -3.746 7.616 -16.845 403 1HD1 LEU 50 3HD1 LEU 50 -2.109 9.824 -17.791 404 2HD1 LEU 50 1HD1 LEU 50 -3.119 9.139 -19.087 405 3HD1 LEU 50 2HD1 LEU 50 -3.872 9.712 -17.578 406 1HD2 LEU 50 2HD2 LEU 50 -2.257 5.855 -18.024 407 2HD2 LEU 50 3HD2 LEU 50 -3.663 6.519 -18.889 408 3HD2 LEU 50 1HD2 LEU 50 -2.027 7.114 -19.262 409 H ARG 51 H ARG 51 -0.875 9.624 -13.819 410 HA ARG 51 HA ARG 51 1.529 8.394 -13.186 411 1HB ARG 51 1HB ARG 51 0.727 10.968 -13.308 412 2HB ARG 51 2HB ARG 51 0.526 10.753 -11.581 413 1HG ARG 51 1HG ARG 51 3.096 9.704 -12.673 414 2HG ARG 51 2HG ARG 51 2.903 11.441 -12.801 415 1HD ARG 51 1HD ARG 51 2.190 10.159 -10.167 416 2HD ARG 51 2HD ARG 51 3.891 10.275 -10.574 417 HE ARG 51 HE ARG 51 2.579 12.802 -11.068 418 1HH1 ARG 51 2HH1 ARG 51 2.932 14.551 -9.641 419 2HH1 ARG 51 1HH1 ARG 51 3.561 14.260 -8.054 420 1HH2 ARG 51 2HH2 ARG 51 3.777 10.768 -8.458 421 2HH2 ARG 51 1HH2 ARG 51 4.045 12.093 -7.377 422 H GLU 52 H GLU 52 -1.513 8.994 -11.349 423 HA GLU 52 HA GLU 52 -0.525 8.250 -8.867 424 1HB GLU 52 1HB GLU 52 -2.898 8.046 -8.220 425 2HB GLU 52 2HB GLU 52 -2.640 9.487 -9.183 426 1HG GLU 52 1HG GLU 52 -3.943 8.724 -10.907 427 2HG GLU 52 2HG GLU 52 -3.281 7.102 -10.821 428 H GLN 53 H GLN 53 -1.146 6.400 -11.716 429 HA GLN 53 HA GLN 53 -1.383 3.976 -10.122 430 1HB GLN 53 1HB GLN 53 -2.091 2.909 -12.295 431 2HB GLN 53 2HB GLN 53 -3.169 4.174 -11.740 432 1HG GLN 53 1HG GLN 53 -2.027 5.807 -13.267 433 2HG GLN 53 2HG GLN 53 -0.974 4.527 -13.836 434 1HE2 GLN 53 1HE2 GLN 53 -4.143 5.904 -13.886 435 2HE2 GLN 53 2HE2 GLN 53 -4.834 4.932 -15.141 436 H ALA 54 H ALA 54 0.745 5.882 -12.114 437 HA ALA 54 HA ALA 54 2.357 3.835 -13.155 438 1HB ALA 54 2HB ALA 54 2.651 6.789 -12.614 439 2HB ALA 54 3HB ALA 54 4.058 5.836 -13.146 440 3HB ALA 54 1HB ALA 54 2.604 5.926 -14.170 441 H GLY 55 H GLY 55 3.929 2.576 -12.248 442 1HA GLY 55 2HA GLY 55 4.738 3.254 -9.482 443 2HA GLY 55 1HA GLY 55 5.817 2.569 -10.681 444 H GLY 56 H GLY 56 3.312 0.946 -11.709 445 1HA GLY 56 2HA GLY 56 2.804 -0.883 -9.530 446 2HA GLY 56 1HA GLY 56 3.891 -1.512 -10.752 447 H ASP 57 H ASP 57 1.652 -2.943 -10.562 448 HA ASP 57 HA ASP 57 0.505 -2.652 -13.075 449 1HB ASP 57 1HB ASP 57 0.209 -4.832 -12.472 450 2HB ASP 57 2HB ASP 57 0.315 -4.458 -10.765 451 H ALA 58 H ALA 58 -1.331 -1.477 -13.713 452 HA ALA 58 HA ALA 58 -2.871 -0.218 -11.551 453 1HB ALA 58 2HB ALA 58 -1.535 1.202 -13.212 454 2HB ALA 58 3HB ALA 58 -2.688 0.657 -14.454 455 3HB ALA 58 1HB ALA 58 -3.265 1.594 -13.056 456 H THR 59 H THR 59 -2.891 -2.564 -14.115 457 HA THR 59 HA THR 59 -5.397 -2.499 -15.142 458 HB THR 59 HB THR 59 -3.274 -4.205 -15.225 459 HG1 THR 59 HG1 THR 59 -5.378 -3.850 -16.550 460 1HG2 THR 59 2HG2 THR 59 -5.484 -5.607 -13.633 461 2HG2 THR 59 3HG2 THR 59 -4.176 -6.453 -14.496 462 3HG2 THR 59 1HG2 THR 59 -3.793 -5.392 -13.120 463 H GLU 60 H GLU 60 -4.490 -4.038 -11.987 464 HA GLU 60 HA GLU 60 -6.845 -5.024 -11.264 465 1HB GLU 60 1HB GLU 60 -6.172 -4.290 -8.861 466 2HB GLU 60 2HB GLU 60 -5.068 -5.323 -9.746 467 1HG GLU 60 1HG GLU 60 -3.441 -3.764 -9.515 468 2HG GLU 60 2HG GLU 60 -4.388 -2.644 -10.474 469 H ASN 61 H ASN 61 -5.929 -1.563 -11.334 470 HA ASN 61 HA ASN 61 -8.436 -0.842 -10.136 471 1HB ASN 61 1HB ASN 61 -5.868 0.354 -10.328 472 2HB ASN 61 2HB ASN 61 -6.891 1.364 -11.331 473 1HD2 ASN 61 1HD2 ASN 61 -5.594 1.700 -8.648 474 2HD2 ASN 61 2HD2 ASN 61 -6.847 2.233 -7.576 475 H PHE 62 H PHE 62 -6.574 -0.306 -13.222 476 HA PHE 62 HA PHE 62 -8.447 1.106 -14.619 477 1HB PHE 62 1HB PHE 62 -6.512 0.860 -15.886 478 2HB PHE 62 2HB PHE 62 -6.090 -0.631 -15.066 479 HD1 PHE 62 HD1 PHE 62 -7.291 0.817 -18.089 480 HD2 PHE 62 HD2 PHE 62 -7.285 -2.773 -15.826 481 HE1 PHE 62 HE1 PHE 62 -7.884 -0.484 -20.153 482 HE2 PHE 62 HE2 PHE 62 -7.879 -4.075 -17.890 483 HZ PHE 62 HZ PHE 62 -8.170 -2.915 -20.028 484 H GLU 63 H GLU 63 -8.650 -2.173 -13.495 485 HA GLU 63 HA GLU 63 -10.428 -2.992 -15.578 486 1HB GLU 63 1HB GLU 63 -9.150 -4.242 -13.178 487 2HB GLU 63 2HB GLU 63 -10.689 -4.923 -13.668 488 1HG GLU 63 1HG GLU 63 -9.154 -4.518 -16.063 489 2HG GLU 63 2HG GLU 63 -8.087 -5.271 -14.895 490 H ASP 64 H ASP 64 -10.580 -1.736 -12.236 491 HA ASP 64 HA ASP 64 -13.266 -2.378 -11.826 492 1HB ASP 64 1HB ASP 64 -12.116 -1.866 -9.852 493 2HB ASP 64 2HB ASP 64 -11.236 -0.538 -10.582 494 H VAL 65 H VAL 65 -11.479 0.340 -13.321 495 HA VAL 65 HA VAL 65 -13.789 2.038 -13.463 496 HB VAL 65 HB VAL 65 -12.012 3.393 -13.389 497 1HG1 VAL 65 3HG1 VAL 65 -10.415 1.133 -14.619 498 2HG1 VAL 65 1HG1 VAL 65 -9.726 2.747 -14.318 499 3HG1 VAL 65 2HG1 VAL 65 -10.337 1.772 -12.959 500 1HG2 VAL 65 3HG2 VAL 65 -12.974 3.831 -15.616 501 2HG2 VAL 65 1HG2 VAL 65 -11.225 4.168 -15.574 502 3HG2 VAL 65 2HG2 VAL 65 -11.826 2.675 -16.335 503 H GLY 66 H GLY 66 -13.155 -0.839 -14.891 504 1HA GLY 66 2HA GLY 66 -15.066 -0.930 -16.732 505 2HA GLY 66 1HA GLY 66 -13.537 -1.763 -16.939 506 H HIS 67 H HIS 67 -11.700 -0.496 -17.982 507 HA HIS 67 HA HIS 67 -12.306 1.878 -19.367 508 1HB HIS 67 1HB HIS 67 -10.048 -0.106 -19.397 509 2HB HIS 67 2HB HIS 67 -10.131 1.135 -20.632 510 HD1 HIS 67 HD1 HIS 67 -9.431 0.617 -16.987 511 HD2 HIS 67 HD2 HIS 67 -9.723 3.803 -19.699 512 HE1 HIS 67 HE1 HIS 67 -8.433 2.651 -15.811 513 HE2 HIS 67 HE2 HIS 67 -8.590 4.564 -17.545 514 H SER 68 H SER 68 -11.768 1.857 -21.926 515 HA SER 68 HA SER 68 -13.725 -0.003 -22.981 516 1HB SER 68 1HB SER 68 -14.198 1.577 -24.639 517 2HB SER 68 2HB SER 68 -13.779 2.607 -23.285 518 HG SER 68 HG SER 68 -12.459 3.461 -24.777 519 H THR 69 H THR 69 -13.254 -1.332 -24.833 520 HA THR 69 HA THR 69 -10.768 -2.479 -24.944 521 HB THR 69 HB THR 69 -13.130 -2.271 -26.849 522 HG1 THR 69 HG1 THR 69 -13.168 -4.534 -26.090 523 1HG2 THR 69 1HG2 THR 69 -10.633 -4.009 -27.212 524 2HG2 THR 69 2HG2 THR 69 -12.111 -4.073 -28.201 525 3HG2 THR 69 3HG2 THR 69 -11.062 -2.637 -28.261 526 H ASP 70 H ASP 70 -11.780 0.603 -26.246 527 HA ASP 70 HA ASP 70 -9.795 0.707 -28.237 528 1HB ASP 70 1HB ASP 70 -11.872 2.110 -28.223 529 2HB ASP 70 2HB ASP 70 -11.292 2.947 -26.797 530 H ALA 71 H ALA 71 -10.202 1.989 -24.864 531 HA ALA 71 HA ALA 71 -7.797 3.396 -24.743 532 1HB ALA 71 3HB ALA 71 -8.171 3.222 -22.273 533 2HB ALA 71 1HB ALA 71 -9.620 3.742 -23.165 534 3HB ALA 71 2HB ALA 71 -9.485 2.063 -22.587 535 H ARG 72 H ARG 72 -8.646 -0.039 -24.093 536 HA ARG 72 HA ARG 72 -6.206 -0.698 -22.962 537 1HB ARG 72 1HB ARG 72 -8.041 -2.531 -24.584 538 2HB ARG 72 2HB ARG 72 -6.888 -3.035 -23.365 539 1HG ARG 72 1HG ARG 72 -8.167 -1.725 -21.639 540 2HG ARG 72 2HG ARG 72 -9.339 -1.283 -22.864 541 1HD ARG 72 1HD ARG 72 -9.968 -3.296 -21.399 542 2HD ARG 72 2HD ARG 72 -10.094 -3.549 -23.129 543 HE ARG 72 HE ARG 72 -7.486 -4.283 -21.966 544 1HH1 ARG 72 2HH1 ARG 72 -6.877 -6.482 -22.092 545 2HH1 ARG 72 1HH1 ARG 72 -8.046 -7.681 -22.532 546 1HH2 ARG 72 2HH2 ARG 72 -10.695 -5.387 -22.895 547 2HH2 ARG 72 1HH2 ARG 72 -10.233 -7.054 -22.992 548 H GLU 73 H GLU 73 -7.460 -0.833 -26.355 549 HA GLU 73 HA GLU 73 -5.170 -2.050 -27.394 550 1HB GLU 73 1HB GLU 73 -7.694 -1.463 -28.333 551 2HB GLU 73 2HB GLU 73 -6.736 -0.283 -29.206 552 1HG GLU 73 1HG GLU 73 -5.159 -2.207 -29.858 553 2HG GLU 73 2HG GLU 73 -6.344 -3.308 -29.185 554 H LEU 74 H LEU 74 -6.170 1.356 -26.872 555 HA LEU 74 HA LEU 74 -4.181 2.556 -28.409 556 1HB LEU 74 1HB LEU 74 -5.358 4.320 -27.836 557 2HB LEU 74 2HB LEU 74 -6.300 3.331 -26.738 558 HG LEU 74 HG LEU 74 -4.159 3.818 -25.160 559 1HD1 LEU 74 2HD1 LEU 74 -4.217 5.997 -27.211 560 2HD1 LEU 74 3HD1 LEU 74 -3.848 6.407 -25.519 561 3HD1 LEU 74 1HD1 LEU 74 -2.837 5.230 -26.389 562 1HD2 LEU 74 1HD2 LEU 74 -6.843 4.950 -25.491 563 2HD2 LEU 74 2HD2 LEU 74 -6.008 4.369 -24.032 564 3HD2 LEU 74 3HD2 LEU 74 -5.715 6.021 -24.627 565 H SER 75 H SER 75 -4.213 1.280 -25.056 566 HA SER 75 HA SER 75 -1.760 2.384 -24.343 567 1HB SER 75 1HB SER 75 -2.203 -0.135 -22.992 568 2HB SER 75 2HB SER 75 -2.337 1.490 -22.351 569 HG SER 75 HG SER 75 -4.524 1.591 -23.163 570 H LYS 76 H LYS 76 -2.699 -0.396 -26.298 571 HA LYS 76 HA LYS 76 -0.380 -1.931 -26.014 572 1HB LYS 76 1HB LYS 76 -1.306 -3.277 -27.602 573 2HB LYS 76 2HB LYS 76 -2.740 -2.392 -27.120 574 1HG LYS 76 1HG LYS 76 -2.970 -1.878 -29.328 575 2HG LYS 76 2HG LYS 76 -1.687 -0.714 -29.064 576 1HD LYS 76 1HD LYS 76 -0.709 -3.483 -29.524 577 2HD LYS 76 2HD LYS 76 -1.588 -2.813 -30.881 578 1HE LYS 76 1HE LYS 76 0.117 -0.718 -29.952 579 2HE LYS 76 2HE LYS 76 1.098 -2.170 -29.947 580 1HZ LYS 76 3HZ LYS 76 -0.570 -1.467 -32.247 581 2HZ LYS 76 1HZ LYS 76 0.950 -0.893 -32.083 582 3HZ LYS 76 2HZ LYS 76 0.692 -2.501 -32.196 583 H THR 77 H THR 77 -1.003 1.127 -27.575 584 HA THR 77 HA THR 77 1.262 0.881 -29.365 585 HB THR 77 HB THR 77 -1.056 2.125 -29.702 586 HG1 THR 77 HG1 THR 77 0.282 3.683 -30.997 587 1HG2 THR 77 1HG2 THR 77 -0.023 3.654 -27.545 588 2HG2 THR 77 2HG2 THR 77 0.308 4.627 -28.999 589 3HG2 THR 77 3HG2 THR 77 -1.357 4.121 -28.626 590 H PHE 78 H PHE 78 0.726 1.651 -26.058 591 HA PHE 78 HA PHE 78 3.180 3.246 -26.009 592 1HB PHE 78 1HB PHE 78 0.837 2.752 -24.081 593 2HB PHE 78 2HB PHE 78 2.264 3.643 -23.591 594 HD1 PHE 78 HD1 PHE 78 -0.904 4.270 -24.198 595 HD2 PHE 78 HD2 PHE 78 2.839 5.325 -25.900 596 HE1 PHE 78 HE1 PHE 78 -1.911 6.382 -25.105 597 HE2 PHE 78 HE2 PHE 78 1.831 7.438 -26.805 598 HZ PHE 78 HZ PHE 78 -0.532 7.941 -26.397 599 H ILE 79 H ILE 79 1.989 0.074 -25.545 600 HA ILE 79 HA ILE 79 3.227 -0.796 -23.260 601 HB ILE 79 HB ILE 79 2.346 -2.006 -25.816 602 1HG1 ILE 79 1HG1 ILE 79 1.698 -2.164 -22.906 603 2HG1 ILE 79 2HG1 ILE 79 0.636 -1.983 -24.288 604 1HG2 ILE 79 3HG2 ILE 79 4.570 -3.023 -25.505 605 2HG2 ILE 79 1HG2 ILE 79 4.089 -3.543 -23.871 606 3HG2 ILE 79 2HG2 ILE 79 3.247 -4.195 -25.296 607 1HD1 ILE 79 3HD1 ILE 79 1.131 -4.366 -24.944 608 2HD1 ILE 79 1HD1 ILE 79 2.100 -4.529 -23.459 609 3HD1 ILE 79 2HD1 ILE 79 0.349 -4.224 -23.352 610 H ILE 80 H ILE 80 5.298 -0.982 -22.579 611 HA ILE 80 HA ILE 80 7.364 -0.600 -24.626 612 HB ILE 80 HB ILE 80 8.699 -0.112 -22.401 613 1HG1 ILE 80 1HG1 ILE 80 5.996 0.916 -21.557 614 2HG1 ILE 80 2HG1 ILE 80 6.518 -0.691 -21.095 615 1HG2 ILE 80 3HG2 ILE 80 7.632 1.388 -24.468 616 2HG2 ILE 80 1HG2 ILE 80 7.051 2.219 -23.006 617 3HG2 ILE 80 2HG2 ILE 80 8.794 1.950 -23.242 618 1HD1 ILE 80 1HD1 ILE 80 8.577 1.413 -20.682 619 2HD1 ILE 80 2HD1 ILE 80 7.112 1.598 -19.688 620 3HD1 ILE 80 3HD1 ILE 80 8.063 0.096 -19.601 621 H GLY 81 H GLY 81 6.046 -2.738 -22.139 622 1HA GLY 81 2HA GLY 81 8.205 -4.371 -21.591 623 2HA GLY 81 1HA GLY 81 7.557 -4.942 -23.116 624 H GLU 82 H GLU 82 7.561 -6.216 -20.380 625 HA GLU 82 HA GLU 82 4.802 -6.114 -19.620 626 1HB GLU 82 1HB GLU 82 5.764 -8.882 -20.266 627 2HB GLU 82 2HB GLU 82 4.135 -8.236 -20.288 628 1HG GLU 82 1HG GLU 82 4.673 -6.935 -22.353 629 2HG GLU 82 2HG GLU 82 6.309 -7.563 -22.327 630 H LEU 83 H LEU 83 4.414 -7.678 -17.687 631 HA LEU 83 HA LEU 83 6.582 -7.292 -15.874 632 1HB LEU 83 1HB LEU 83 4.097 -7.080 -15.410 633 2HB LEU 83 2HB LEU 83 4.030 -8.829 -15.417 634 HG LEU 83 HG LEU 83 4.488 -8.784 -13.247 635 1HD1 LEU 83 2HD1 LEU 83 7.155 -7.604 -14.074 636 2HD1 LEU 83 3HD1 LEU 83 6.791 -8.343 -12.496 637 3HD1 LEU 83 1HD1 LEU 83 6.739 -9.333 -13.975 638 1HD2 LEU 83 2HD2 LEU 83 4.316 -5.979 -13.804 639 2HD2 LEU 83 3HD2 LEU 83 3.932 -6.858 -12.303 640 3HD2 LEU 83 1HD2 LEU 83 5.583 -6.256 -12.583 641 H HIS 84 H HIS 84 8.292 -8.612 -15.604 642 HA HIS 84 HA HIS 84 8.476 -11.033 -16.986 643 1HB HIS 84 1HB HIS 84 10.184 -9.296 -15.578 644 2HB HIS 84 2HB HIS 84 10.318 -10.837 -14.753 645 HD1 HIS 84 HD1 HIS 84 12.854 -10.592 -15.832 646 HD2 HIS 84 HD2 HIS 84 9.710 -11.485 -18.463 647 HE1 HIS 84 HE1 HIS 84 13.934 -11.523 -17.947 648 HE2 HIS 84 HE2 HIS 84 11.951 -12.105 -19.504 649 HA PRO 85 HA PRO 85 7.229 -13.988 -14.044 650 1HB PRO 85 1HB PRO 85 9.317 -15.667 -13.509 651 2HB PRO 85 2HB PRO 85 8.367 -15.758 -14.980 652 1HG PRO 85 1HG PRO 85 11.099 -14.692 -14.600 653 2HG PRO 85 2HG PRO 85 10.306 -15.178 -16.086 654 1HD PRO 85 1HD PRO 85 10.739 -12.495 -15.171 655 2HD PRO 85 2HD PRO 85 9.845 -12.985 -16.596 656 H ASP 86 H ASP 86 8.712 -11.500 -13.001 657 HA ASP 86 HA ASP 86 9.489 -12.472 -10.431 658 1HB ASP 86 1HB ASP 86 10.800 -10.634 -10.856 659 2HB ASP 86 2HB ASP 86 9.634 -9.938 -11.965 660 H ASP 87 H ASP 87 6.685 -11.088 -12.084 661 HA ASP 87 HA ASP 87 5.106 -11.499 -9.763 662 1HB ASP 87 1HB ASP 87 5.757 -8.721 -10.765 663 2HB ASP 87 2HB ASP 87 4.149 -9.026 -10.140 664 H ARG 88 H ARG 88 4.876 -12.902 -12.047 665 HA ARG 88 HA ARG 88 3.427 -11.613 -14.066 666 1HB ARG 88 1HB ARG 88 3.950 -14.530 -13.363 667 2HB ARG 88 2HB ARG 88 2.917 -14.107 -14.713 668 1HG ARG 88 1HG ARG 88 5.768 -13.066 -14.391 669 2HG ARG 88 2HG ARG 88 5.364 -14.498 -15.316 670 1HD ARG 88 1HD ARG 88 4.362 -11.662 -15.855 671 2HD ARG 88 2HD ARG 88 5.524 -12.548 -16.820 672 HE ARG 88 HE ARG 88 2.623 -12.879 -16.854 673 1HH1 ARG 88 2HH1 ARG 88 1.725 -14.377 -18.327 674 2HH1 ARG 88 1HH1 ARG 88 2.738 -15.563 -19.080 675 1HH2 ARG 88 2HH2 ARG 88 5.687 -14.494 -17.477 676 2HH2 ARG 88 1HH2 ARG 88 5.007 -15.630 -18.594 677 H SER 89 H SER 89 2.146 -14.637 -12.647 678 HA SER 89 HA SER 89 -0.463 -13.840 -12.829 679 1HB SER 89 1HB SER 89 -0.872 -15.766 -11.176 680 2HB SER 89 2HB SER 89 -0.020 -16.169 -12.653 681 HG SER 89 HG SER 89 0.956 -16.020 -9.978 682 H LYS 90 H LYS 90 1.956 -12.793 -10.633 683 HA LYS 90 HA LYS 90 0.398 -12.462 -8.309 684 1HB LYS 90 1HB LYS 90 2.996 -11.305 -9.310 685 2HB LYS 90 2HB LYS 90 2.269 -10.731 -7.823 686 1HG LYS 90 1HG LYS 90 3.741 -12.492 -7.152 687 2HG LYS 90 2HG LYS 90 2.135 -13.190 -7.072 688 1HD LYS 90 1HD LYS 90 2.436 -14.445 -9.074 689 2HD LYS 90 2HD LYS 90 3.760 -13.437 -9.622 690 1HE LYS 90 1HE LYS 90 4.965 -14.301 -7.412 691 2HE LYS 90 2HE LYS 90 3.779 -15.589 -7.491 692 1HZ LYS 90 3HZ LYS 90 4.978 -15.087 -10.008 693 2HZ LYS 90 1HZ LYS 90 6.090 -15.477 -8.878 694 3HZ LYS 90 2HZ LYS 90 4.847 -16.492 -9.184 695 H ILE 91 H ILE 91 0.618 -10.753 -11.374 696 HA ILE 91 HA ILE 91 -1.256 -8.779 -10.284 697 HB ILE 91 HB ILE 91 -0.128 -7.009 -11.077 698 1HG1 ILE 91 1HG1 ILE 91 1.119 -8.728 -13.243 699 2HG1 ILE 91 2HG1 ILE 91 -0.303 -7.720 -13.433 700 1HG2 ILE 91 1HG2 ILE 91 2.045 -9.080 -10.705 701 2HG2 ILE 91 2HG2 ILE 91 2.367 -7.341 -10.912 702 3HG2 ILE 91 3HG2 ILE 91 1.418 -7.911 -9.518 703 1HD1 ILE 91 1HD1 ILE 91 1.740 -6.079 -12.254 704 2HD1 ILE 91 2HD1 ILE 91 2.464 -6.951 -13.628 705 3HD1 ILE 91 3HD1 ILE 91 1.019 -5.942 -13.877 706 H THR 92 H THR 92 -0.061 -10.781 -12.991 707 HA THR 92 HA THR 92 -1.493 -10.120 -15.106 708 HB THR 92 HB THR 92 -0.196 -12.399 -14.183 709 HG1 THR 92 HG1 THR 92 -0.708 -13.030 -16.442 710 1HG2 THR 92 3HG2 THR 92 -3.091 -13.107 -14.898 711 2HG2 THR 92 1HG2 THR 92 -1.754 -14.269 -14.741 712 3HG2 THR 92 2HG2 THR 92 -2.332 -13.379 -13.312 713 H LYS 93 H LYS 93 -2.946 -11.856 -12.281 714 HA LYS 93 HA LYS 93 -5.495 -10.686 -13.089 715 1HB LYS 93 1HB LYS 93 -4.805 -13.559 -13.072 716 2HB LYS 93 2HB LYS 93 -6.280 -13.160 -12.214 717 1HG LYS 93 1HG LYS 93 -7.401 -12.621 -14.135 718 2HG LYS 93 2HG LYS 93 -6.046 -11.720 -14.785 719 1HD LYS 93 1HD LYS 93 -5.552 -13.447 -16.166 720 2HD LYS 93 2HD LYS 93 -5.264 -14.479 -14.779 721 1HE LYS 93 1HE LYS 93 -7.863 -14.763 -14.685 722 2HE LYS 93 2HE LYS 93 -7.871 -14.075 -16.298 723 1HZ LYS 93 2HZ LYS 93 -6.221 -15.826 -16.873 724 2HZ LYS 93 3HZ LYS 93 -6.518 -16.527 -15.428 725 3HZ LYS 93 1HZ LYS 93 -7.717 -16.382 -16.528 726 HA PRO 94 HA PRO 94 -5.032 -9.848 -8.799 727 1HB PRO 94 1HB PRO 94 -6.780 -7.749 -8.703 728 2HB PRO 94 2HB PRO 94 -5.082 -7.566 -9.097 729 1HG PRO 94 1HG PRO 94 -7.422 -7.472 -10.900 730 2HG PRO 94 2HG PRO 94 -5.796 -6.882 -11.179 731 1HD PRO 94 1HD PRO 94 -6.956 -9.285 -12.234 732 2HD PRO 94 2HD PRO 94 -5.296 -8.753 -12.418 733 H SER 95 H SER 95 -7.099 -8.942 -7.183 734 HA SER 95 HA SER 95 -8.329 -11.367 -6.688 735 1HB SER 95 1HB SER 95 -9.833 -9.952 -5.171 736 2HB SER 95 2HB SER 95 -8.110 -9.831 -4.877 737 HG SER 95 HG SER 95 -9.690 -7.964 -6.434 738 H GLU 96 H GLU 96 -10.933 -11.403 -6.429 739 HA GLU 96 HA GLU 96 -12.289 -9.998 -8.487 740 1HB GLU 96 1HB GLU 96 -11.089 -12.007 -9.628 741 2HB GLU 96 2HB GLU 96 -12.246 -13.020 -8.786 742 1HG GLU 96 1HG GLU 96 -13.772 -10.908 -9.947 743 2HG GLU 96 2HG GLU 96 -12.628 -11.399 -11.182 744 H SER 97 H SER 97 -12.435 -13.049 -6.506 745 HA SER 97 HA SER 97 -15.104 -13.116 -6.121 746 1HB SER 97 1HB SER 97 -13.217 -14.731 -5.335 747 2HB SER 97 2HB SER 97 -13.144 -13.747 -3.886 748 HG SER 97 HG SER 97 -15.327 -14.259 -3.415 749 H ILE 98 H ILE 98 -16.558 -12.336 -4.443 750 HA ILE 98 HA ILE 98 -15.596 -10.487 -2.496 751 HB ILE 98 HB ILE 98 -15.697 -9.247 -4.769 752 1HG1 ILE 98 1HG1 ILE 98 -17.088 -7.393 -3.206 753 2HG1 ILE 98 2HG1 ILE 98 -16.333 -8.457 -2.037 754 1HG2 ILE 98 2HG2 ILE 98 -18.637 -9.395 -4.056 755 2HG2 ILE 98 3HG2 ILE 98 -17.932 -8.229 -5.200 756 3HG2 ILE 98 1HG2 ILE 98 -17.847 -9.972 -5.543 757 1HD1 ILE 98 3HD1 ILE 98 -14.293 -8.100 -3.899 758 2HD1 ILE 98 1HD1 ILE 98 -15.092 -6.510 -3.877 759 3HD1 ILE 98 2HD1 ILE 98 -14.457 -7.209 -2.367 760 H ILE 99 H ILE 99 -17.158 -10.113 -0.862 761 HA ILE 99 HA ILE 99 -18.961 -12.125 -0.432 762 HB ILE 99 HB ILE 99 -17.988 -10.469 1.192 763 1HG1 ILE 99 1HG1 ILE 99 -20.878 -10.506 1.806 764 2HG1 ILE 99 2HG1 ILE 99 -20.211 -12.058 1.343 765 1HG2 ILE 99 1HG2 ILE 99 -19.292 -8.593 -0.401 766 2HG2 ILE 99 2HG2 ILE 99 -20.264 -8.666 1.088 767 3HG2 ILE 99 3HG2 ILE 99 -18.522 -8.312 1.181 768 1HD1 ILE 99 3HD1 ILE 99 -18.368 -11.731 3.040 769 2HD1 ILE 99 1HD1 ILE 99 -19.178 -10.232 3.560 770 3HD1 ILE 99 2HD1 ILE 99 -19.993 -11.802 3.762 771 H THR 100 H THR 100 -21.418 -11.892 -0.198 772 HA THR 100 HA THR 100 -22.527 -10.201 -2.319 773 HB THR 100 HB THR 100 -22.045 -12.504 -3.235 774 HG1 THR 100 HG1 THR 100 -24.859 -11.952 -2.611 775 1HG2 THR 100 1HG2 THR 100 -23.808 -13.260 -0.874 776 2HG2 THR 100 2HG2 THR 100 -23.850 -14.227 -2.368 777 3HG2 THR 100 3HG2 THR 100 -22.329 -14.063 -1.455 778 H THR 101 H THR 101 -24.905 -9.948 -2.153 779 HA THR 101 HA THR 101 -25.628 -9.893 0.688 780 HB THR 101 HB THR 101 -25.599 -7.768 -0.699 781 HG1 THR 101 HG1 THR 101 -27.094 -7.658 0.975 782 1HG2 THR 101 2HG2 THR 101 -26.984 -9.385 -2.597 783 2HG2 THR 101 3HG2 THR 101 -28.203 -8.275 -1.926 784 3HG2 THR 101 1HG2 THR 101 -26.729 -7.627 -2.681 785 H ILE 102 H ILE 102 -27.374 -10.941 1.537 786 HA ILE 102 HA ILE 102 -28.744 -12.727 -0.349 787 HB ILE 102 HB ILE 102 -27.542 -14.091 1.079 788 1HG1 ILE 102 1HG1 ILE 102 -30.140 -13.896 2.606 789 2HG1 ILE 102 2HG1 ILE 102 -30.084 -14.490 0.959 790 1HG2 ILE 102 2HG2 ILE 102 -28.231 -12.126 3.263 791 2HG2 ILE 102 3HG2 ILE 102 -27.616 -13.760 3.614 792 3HG2 ILE 102 1HG2 ILE 102 -26.628 -12.622 2.664 793 1HD1 ILE 102 3HD1 ILE 102 -28.022 -15.930 2.076 794 2HD1 ILE 102 1HD1 ILE 102 -29.122 -15.767 3.466 795 3HD1 ILE 102 2HD1 ILE 102 -29.698 -16.515 1.956 796 H ASP 103 H ASP 103 -29.031 -10.238 2.159 797 HA ASP 103 HA ASP 103 -31.663 -10.576 2.816 798 1HB ASP 103 1HB ASP 103 -30.404 -7.838 2.416 799 2HB ASP 103 2HB ASP 103 -31.585 -8.312 3.620 800 H SER 104 H SER 104 -30.264 -8.129 0.488 801 HA SER 104 HA SER 104 -32.586 -7.270 -0.580 802 1HB SER 104 1HB SER 104 -29.889 -6.870 -1.070 803 2HB SER 104 2HB SER 104 -30.410 -7.606 -2.571 804 HG SER 104 HG SER 104 -30.784 -5.436 -2.877 No H/Q in entry = 804 Start of MODEL 7 1 H ALA 1 H ALA 1 31.766 2.864 -37.506 2 HA ALA 1 HA ALA 1 29.253 1.556 -38.119 3 1HB ALA 1 3HB ALA 1 31.748 0.668 -38.317 4 2HB ALA 1 1HB ALA 1 31.509 0.273 -36.599 5 3HB ALA 1 2HB ALA 1 30.428 -0.422 -37.831 6 H GLU 2 H GLU 2 27.618 1.232 -36.675 7 HA GLU 2 HA GLU 2 28.027 0.866 -33.972 8 1HB GLU 2 1HB GLU 2 27.154 2.978 -33.027 9 2HB GLU 2 2HB GLU 2 28.646 3.252 -33.906 10 1HG GLU 2 1HG GLU 2 26.355 3.482 -35.710 11 2HG GLU 2 2HG GLU 2 26.141 4.535 -34.327 12 H GLU 3 H GLU 3 25.858 0.851 -32.752 13 HA GLU 3 HA GLU 3 23.470 1.253 -34.016 14 1HB GLU 3 1HB GLU 3 24.698 -0.894 -35.253 15 2HB GLU 3 2HB GLU 3 23.729 -1.706 -34.038 16 1HG GLU 3 1HG GLU 3 21.813 -0.056 -34.885 17 2HG GLU 3 2HG GLU 3 22.816 0.063 -36.318 18 H SER 4 H SER 4 21.611 0.083 -32.799 19 HA SER 4 HA SER 4 22.089 -1.391 -30.541 20 1HB SER 4 1HB SER 4 21.735 0.316 -28.741 21 2HB SER 4 2HB SER 4 23.260 0.513 -29.582 22 HG SER 4 HG SER 4 21.089 1.944 -30.690 23 H SER 5 H SER 5 20.038 -1.119 -28.933 24 HA SER 5 HA SER 5 17.765 -0.044 -30.296 25 1HB SER 5 1HB SER 5 18.429 -2.760 -30.716 26 2HB SER 5 2HB SER 5 17.145 -2.801 -29.523 27 HG SER 5 HG SER 5 17.096 -1.796 -32.205 28 H LYS 6 H LYS 6 15.678 -0.900 -28.823 29 HA LYS 6 HA LYS 6 16.356 -1.273 -26.075 30 1HB LYS 6 1HB LYS 6 15.528 0.821 -25.214 31 2HB LYS 6 2HB LYS 6 16.845 1.135 -26.326 32 1HG LYS 6 1HG LYS 6 15.455 2.082 -27.940 33 2HG LYS 6 2HG LYS 6 14.079 1.089 -27.501 34 1HD LYS 6 1HD LYS 6 13.294 2.976 -26.479 35 2HD LYS 6 2HD LYS 6 14.401 2.556 -25.188 36 1HE LYS 6 1HE LYS 6 15.772 3.996 -27.359 37 2HE LYS 6 2HE LYS 6 14.432 4.926 -26.720 38 1HZ LYS 6 1HZ LYS 6 16.092 3.649 -24.752 39 2HZ LYS 6 2HZ LYS 6 16.814 4.844 -25.600 40 3HZ LYS 6 3HZ LYS 6 15.447 5.150 -24.759 41 H ALA 7 H ALA 7 14.625 -2.155 -24.949 42 HA ALA 7 HA ALA 7 11.967 -1.788 -25.475 43 1HB ALA 7 1HB ALA 7 11.705 -4.182 -26.662 44 2HB ALA 7 3HB ALA 7 13.293 -3.732 -27.327 45 3HB ALA 7 2HB ALA 7 11.884 -2.677 -27.596 46 H VAL 8 H VAL 8 12.112 -1.911 -23.170 47 HA VAL 8 HA VAL 8 13.269 -3.676 -21.581 48 HB VAL 8 HB VAL 8 12.047 -2.282 -20.337 49 1HG1 VAL 8 1HG1 VAL 8 10.287 -2.221 -22.723 50 2HG1 VAL 8 2HG1 VAL 8 9.499 -1.842 -21.172 51 3HG1 VAL 8 3HG1 VAL 8 10.905 -0.891 -21.712 52 1HG2 VAL 8 2HG2 VAL 8 11.267 -4.597 -19.713 53 2HG2 VAL 8 3HG2 VAL 8 10.148 -3.284 -19.273 54 3HG2 VAL 8 1HG2 VAL 8 9.811 -4.301 -20.694 55 H LYS 9 H LYS 9 9.957 -4.318 -22.950 56 HA LYS 9 HA LYS 9 9.064 -6.208 -23.703 57 1HB LYS 9 1HB LYS 9 11.806 -6.704 -24.084 58 2HB LYS 9 2HB LYS 9 11.191 -8.135 -23.280 59 1HG LYS 9 1HG LYS 9 9.293 -8.192 -24.979 60 2HG LYS 9 2HG LYS 9 10.074 -6.870 -25.825 61 1HD LYS 9 1HD LYS 9 12.208 -8.475 -25.732 62 2HD LYS 9 2HD LYS 9 11.006 -9.730 -25.503 63 1HE LYS 9 1HE LYS 9 9.806 -8.659 -27.587 64 2HE LYS 9 2HE LYS 9 11.339 -7.860 -27.876 65 1HZ LYS 9 3HZ LYS 9 12.373 -10.072 -27.807 66 2HZ LYS 9 1HZ LYS 9 10.895 -10.757 -27.695 67 3HZ LYS 9 2HZ LYS 9 11.303 -9.909 -29.029 68 H TYR 10 H TYR 10 11.329 -6.937 -20.955 69 HA TYR 10 HA TYR 10 8.975 -7.792 -19.436 70 1HB TYR 10 1HB TYR 10 11.285 -9.388 -18.759 71 2HB TYR 10 2HB TYR 10 9.814 -9.957 -19.523 72 HD1 TYR 10 HD1 TYR 10 9.854 -10.764 -21.729 73 HD2 TYR 10 HD2 TYR 10 13.117 -8.392 -20.306 74 HE1 TYR 10 HE1 TYR 10 11.158 -11.269 -23.854 75 HE2 TYR 10 HE2 TYR 10 14.410 -8.906 -22.433 76 HH TYR 10 HH TYR 10 14.064 -11.213 -24.236 77 H TYR 11 H TYR 11 8.885 -6.470 -17.690 78 HA TYR 11 HA TYR 11 11.452 -5.802 -16.414 79 1HB TYR 11 1HB TYR 11 9.157 -4.239 -17.474 80 2HB TYR 11 2HB TYR 11 9.423 -3.883 -15.779 81 HD1 TYR 11 HD1 TYR 11 10.053 -1.573 -16.229 82 HD2 TYR 11 HD2 TYR 11 12.234 -4.817 -17.967 83 HE1 TYR 11 HE1 TYR 11 11.934 0.019 -16.859 84 HE2 TYR 11 HE2 TYR 11 14.106 -3.214 -18.592 85 HH TYR 11 HH TYR 11 13.727 0.073 -18.626 86 H THR 12 H THR 12 11.089 -5.084 -14.039 87 HA THR 12 HA THR 12 9.171 -6.975 -12.855 88 HB THR 12 HB THR 12 10.750 -7.116 -11.016 89 HG1 THR 12 HG1 THR 12 12.332 -5.105 -12.402 90 1HG2 THR 12 2HG2 THR 12 12.350 -6.825 -13.614 91 2HG2 THR 12 3HG2 THR 12 12.950 -7.585 -12.121 92 3HG2 THR 12 1HG2 THR 12 11.608 -8.330 -13.021 93 H LEU 13 H LEU 13 7.926 -6.351 -11.011 94 HA LEU 13 HA LEU 13 6.586 -4.013 -11.274 95 1HB LEU 13 1HB LEU 13 6.950 -6.031 -9.163 96 2HB LEU 13 2HB LEU 13 6.401 -4.469 -8.590 97 HG LEU 13 HG LEU 13 5.043 -6.305 -10.569 98 1HD1 LEU 13 3HD1 LEU 13 4.890 -6.265 -7.859 99 2HD1 LEU 13 1HD1 LEU 13 3.576 -5.143 -8.284 100 3HD1 LEU 13 2HD1 LEU 13 3.577 -6.799 -8.936 101 1HD2 LEU 13 1HD2 LEU 13 4.670 -3.368 -10.142 102 2HD2 LEU 13 2HD2 LEU 13 4.569 -4.333 -11.634 103 3HD2 LEU 13 3HD2 LEU 13 3.243 -4.386 -10.449 104 H GLU 14 H GLU 14 9.665 -4.612 -9.551 105 HA GLU 14 HA GLU 14 9.733 -2.176 -8.224 106 1HB GLU 14 1HB GLU 14 11.423 -4.464 -8.557 107 2HB GLU 14 2HB GLU 14 12.401 -3.057 -8.925 108 1HG GLU 14 1HG GLU 14 11.411 -2.026 -6.738 109 2HG GLU 14 2HG GLU 14 10.871 -3.650 -6.363 110 H GLU 15 H GLU 15 11.211 -3.232 -11.371 111 HA GLU 15 HA GLU 15 12.450 -0.888 -11.980 112 1HB GLU 15 1HB GLU 15 11.957 -3.337 -13.250 113 2HB GLU 15 2HB GLU 15 11.217 -2.171 -14.327 114 1HG GLU 15 1HG GLU 15 13.232 -1.220 -14.915 115 2HG GLU 15 2HG GLU 15 13.890 -1.357 -13.298 116 H ILE 16 H ILE 16 9.011 -1.833 -12.375 117 HA ILE 16 HA ILE 16 8.357 0.513 -13.865 118 HB ILE 16 HB ILE 16 6.498 -1.362 -12.409 119 1HG1 ILE 16 1HG1 ILE 16 6.960 -1.859 -15.269 120 2HG1 ILE 16 2HG1 ILE 16 8.367 -2.170 -14.272 121 1HG2 ILE 16 1HG2 ILE 16 6.056 0.980 -13.917 122 2HG2 ILE 16 2HG2 ILE 16 5.574 -0.385 -14.954 123 3HG2 ILE 16 3HG2 ILE 16 4.854 -0.198 -13.337 124 1HD1 ILE 16 1HD1 ILE 16 5.930 -3.190 -12.996 125 2HD1 ILE 16 2HD1 ILE 16 6.161 -3.879 -14.621 126 3HD1 ILE 16 3HD1 ILE 16 7.440 -4.046 -13.393 127 H GLN 17 H GLN 17 8.303 -0.522 -10.433 128 HA GLN 17 HA GLN 17 6.774 1.555 -9.475 129 1HB GLN 17 1HB GLN 17 7.907 -0.642 -8.373 130 2HB GLN 17 2HB GLN 17 9.058 0.553 -7.804 131 1HG GLN 17 1HG GLN 17 6.482 1.705 -7.390 132 2HG GLN 17 2HG GLN 17 6.342 0.037 -6.872 133 1HE2 GLN 17 1HE2 GLN 17 6.137 2.150 -5.123 134 2HE2 GLN 17 2HE2 GLN 17 7.472 2.160 -4.021 135 H LYS 18 H LYS 18 10.156 1.419 -10.525 136 HA LYS 18 HA LYS 18 10.946 3.813 -9.216 137 1HB LYS 18 1HB LYS 18 12.201 2.381 -11.576 138 2HB LYS 18 2HB LYS 18 12.962 3.608 -10.584 139 1HG LYS 18 1HG LYS 18 11.800 1.184 -9.208 140 2HG LYS 18 2HG LYS 18 13.307 0.995 -10.083 141 1HD LYS 18 1HD LYS 18 12.823 3.112 -7.934 142 2HD LYS 18 2HD LYS 18 13.621 1.578 -7.645 143 1HE LYS 18 1HE LYS 18 15.556 2.660 -8.175 144 2HE LYS 18 2HE LYS 18 15.029 2.544 -9.842 145 1HZ LYS 18 2HZ LYS 18 13.728 4.702 -8.717 146 2HZ LYS 18 3HZ LYS 18 15.297 4.829 -8.282 147 3HZ LYS 18 1HZ LYS 18 14.893 4.724 -9.861 148 H HIS 19 H HIS 19 9.360 2.970 -12.283 149 HA HIS 19 HA HIS 19 9.702 5.671 -13.255 150 1HB HIS 19 1HB HIS 19 8.366 3.224 -14.442 151 2HB HIS 19 2HB HIS 19 8.443 4.785 -15.236 152 HD1 HIS 19 HD1 HIS 19 10.351 1.681 -14.723 153 HD2 HIS 19 HD2 HIS 19 11.194 5.628 -15.864 154 HE1 HIS 19 HE1 HIS 19 12.662 1.635 -15.800 155 HE2 HIS 19 HE2 HIS 19 13.101 4.077 -16.532 156 H ASN 20 H ASN 20 8.515 6.992 -11.840 157 HA ASN 20 HA ASN 20 5.654 6.600 -12.090 158 1HB ASN 20 1HB ASN 20 6.823 5.900 -9.756 159 2HB ASN 20 2HB ASN 20 6.756 7.627 -9.464 160 1HD2 ASN 20 1HD2 ASN 20 4.366 7.883 -11.225 161 2HD2 ASN 20 2HD2 ASN 20 3.012 7.346 -10.288 162 H ASN 21 H ASN 21 7.824 8.365 -13.313 163 HA ASN 21 HA ASN 21 7.037 10.929 -12.191 164 1HB ASN 21 1HB ASN 21 9.343 10.097 -14.022 165 2HB ASN 21 2HB ASN 21 8.980 11.776 -13.672 166 1HD2 ASN 21 1HD2 ASN 21 10.731 9.111 -12.773 167 2HD2 ASN 21 2HD2 ASN 21 11.186 9.548 -11.159 168 H SER 22 H SER 22 6.592 12.707 -13.865 169 HA SER 22 HA SER 22 4.776 11.751 -15.767 170 1HB SER 22 1HB SER 22 4.350 14.055 -16.255 171 2HB SER 22 2HB SER 22 4.703 13.985 -14.540 172 HG SER 22 HG SER 22 5.995 15.393 -16.493 173 H LYS 23 H LYS 23 8.135 11.753 -15.774 174 HA LYS 23 HA LYS 23 8.216 12.029 -18.699 175 1HB LYS 23 1HB LYS 23 9.734 13.374 -16.714 176 2HB LYS 23 2HB LYS 23 10.820 12.240 -17.488 177 1HG LYS 23 1HG LYS 23 9.615 13.181 -19.718 178 2HG LYS 23 2HG LYS 23 9.335 14.569 -18.685 179 1HD LYS 23 1HD LYS 23 11.940 14.223 -18.103 180 2HD LYS 23 2HD LYS 23 11.949 13.423 -19.663 181 1HE LYS 23 1HE LYS 23 10.791 15.514 -20.619 182 2HE LYS 23 2HE LYS 23 11.095 16.295 -19.081 183 1HZ LYS 23 1HZ LYS 23 13.459 15.760 -19.414 184 2HZ LYS 23 2HZ LYS 23 13.116 15.204 -20.911 185 3HZ LYS 23 3HZ LYS 23 12.865 16.777 -20.547 186 H SER 24 H SER 24 7.792 9.777 -16.428 187 HA SER 24 HA SER 24 8.758 7.733 -18.028 188 1HB SER 24 1HB SER 24 10.770 8.823 -16.349 189 2HB SER 24 2HB SER 24 10.279 7.334 -15.565 190 HG SER 24 HG SER 24 10.683 7.231 -18.381 191 H THR 25 H THR 25 6.361 7.555 -17.469 192 HA THR 25 HA THR 25 5.980 6.360 -14.806 193 HB THR 25 HB THR 25 3.466 6.868 -15.844 194 HG1 THR 25 HG1 THR 25 3.865 9.046 -16.850 195 1HG2 THR 25 1HG2 THR 25 5.285 8.174 -13.949 196 2HG2 THR 25 2HG2 THR 25 4.314 9.382 -14.826 197 3HG2 THR 25 3HG2 THR 25 3.506 8.088 -13.908 198 H TRP 26 H TRP 26 6.218 4.209 -14.835 199 HA TRP 26 HA TRP 26 5.172 2.806 -17.194 200 1HB TRP 26 1HB TRP 26 7.246 1.926 -15.177 201 2HB TRP 26 2HB TRP 26 6.651 0.963 -16.514 202 HD1 TRP 26 HD1 TRP 26 7.536 4.706 -16.963 203 HE1 TRP 26 HE1 TRP 26 9.559 5.007 -18.629 204 HE3 TRP 26 HE3 TRP 26 8.578 -0.250 -17.415 205 HZ2 TRP 26 HZ2 TRP 26 11.330 3.178 -19.920 206 HZ3 TRP 26 HZ3 TRP 26 10.471 -0.907 -18.899 207 HH2 TRP 26 HH2 TRP 26 11.828 0.714 -20.127 208 H LEU 27 H LEU 27 3.666 1.107 -16.864 209 HA LEU 27 HA LEU 27 2.953 0.424 -14.151 210 1HB LEU 27 1HB LEU 27 0.836 1.265 -14.088 211 2HB LEU 27 2HB LEU 27 1.703 2.560 -14.892 212 HG LEU 27 HG LEU 27 -0.318 2.347 -16.061 213 1HD1 LEU 27 3HD1 LEU 27 1.966 2.209 -17.389 214 2HD1 LEU 27 1HD1 LEU 27 1.310 0.631 -17.887 215 3HD1 LEU 27 2HD1 LEU 27 0.394 2.122 -18.221 216 1HD2 LEU 27 1HD2 LEU 27 -0.550 -0.126 -15.059 217 2HD2 LEU 27 2HD2 LEU 27 -1.527 0.466 -16.423 218 3HD2 LEU 27 3HD2 LEU 27 -0.091 -0.540 -16.728 219 H ILE 28 H ILE 28 1.099 -1.302 -14.249 220 HA ILE 28 HA ILE 28 1.686 -2.990 -16.580 221 HB ILE 28 HB ILE 28 0.604 -4.220 -14.127 222 1HG1 ILE 28 1HG1 ILE 28 2.226 -2.436 -13.312 223 2HG1 ILE 28 2HG1 ILE 28 2.534 -4.083 -12.798 224 1HG2 ILE 28 1HG2 ILE 28 1.263 -5.462 -16.182 225 2HG2 ILE 28 2HG2 ILE 28 2.947 -4.960 -15.899 226 3HG2 ILE 28 3HG2 ILE 28 2.114 -5.993 -14.713 227 1HD1 ILE 28 2HD1 ILE 28 3.834 -3.263 -15.366 228 2HD1 ILE 28 3HD1 ILE 28 4.448 -2.488 -13.886 229 3HD1 ILE 28 1HD1 ILE 28 4.469 -4.262 -14.037 230 H LEU 29 H LEU 29 0.010 -3.736 -17.833 231 HA LEU 29 HA LEU 29 -2.692 -3.228 -16.828 232 1HB LEU 29 1HB LEU 29 -1.449 -1.627 -18.704 233 2HB LEU 29 2HB LEU 29 -2.368 -2.745 -19.691 234 HG LEU 29 HG LEU 29 -3.316 -0.636 -17.807 235 1HD1 LEU 29 3HD1 LEU 29 -3.267 -0.324 -20.268 236 2HD1 LEU 29 1HD1 LEU 29 -4.432 -1.660 -20.432 237 3HD1 LEU 29 2HD1 LEU 29 -4.896 -0.173 -19.569 238 1HD2 LEU 29 3HD2 LEU 29 -4.637 -3.309 -18.147 239 2HD2 LEU 29 1HD2 LEU 29 -4.451 -2.305 -16.689 240 3HD2 LEU 29 2HD2 LEU 29 -5.626 -1.844 -17.944 241 H HIS 30 H HIS 30 -3.656 -5.178 -16.688 242 HA HIS 30 HA HIS 30 -4.449 -7.134 -17.313 243 1HB HIS 30 1HB HIS 30 -4.725 -6.141 -19.567 244 2HB HIS 30 2HB HIS 30 -3.109 -6.664 -19.992 245 HD1 HIS 30 HD1 HIS 30 -2.806 -9.077 -20.765 246 HD2 HIS 30 HD2 HIS 30 -6.619 -8.317 -19.189 247 HE1 HIS 30 HE1 HIS 30 -4.215 -11.142 -21.276 248 HE2 HIS 30 HE2 HIS 30 -6.531 -10.639 -20.236 249 H TYR 31 H TYR 31 -1.046 -6.527 -18.363 250 HA TYR 31 HA TYR 31 0.125 -8.229 -16.586 251 1HB TYR 31 1HB TYR 31 -1.357 -9.589 -18.665 252 2HB TYR 31 2HB TYR 31 0.333 -9.770 -19.094 253 HD1 TYR 31 HD1 TYR 31 -1.664 -11.965 -18.260 254 HD2 TYR 31 HD2 TYR 31 1.261 -9.738 -16.072 255 HE1 TYR 31 HE1 TYR 31 -1.443 -13.876 -16.597 256 HE2 TYR 31 HE2 TYR 31 1.473 -11.657 -14.417 257 HH TYR 31 HH TYR 31 0.478 -13.516 -13.683 258 H LYS 32 H LYS 32 0.017 -6.277 -19.382 259 HA LYS 32 HA LYS 32 2.877 -6.631 -19.879 260 1HB LYS 32 1HB LYS 32 1.112 -4.888 -21.560 261 2HB LYS 32 2HB LYS 32 2.541 -5.796 -22.010 262 1HG LYS 32 1HG LYS 32 -0.134 -7.056 -21.238 263 2HG LYS 32 2HG LYS 32 0.407 -6.810 -22.887 264 1HD LYS 32 1HD LYS 32 2.558 -8.153 -22.099 265 2HD LYS 32 2HD LYS 32 1.521 -8.700 -20.796 266 1HE LYS 32 1HE LYS 32 -0.190 -9.389 -22.589 267 2HE LYS 32 2HE LYS 32 1.043 -9.056 -23.788 268 1HZ LYS 32 2HZ LYS 32 1.910 -10.710 -21.615 269 2HZ LYS 32 3HZ LYS 32 0.757 -11.383 -22.557 270 3HZ LYS 32 1HZ LYS 32 2.162 -10.879 -23.220 271 H VAL 33 H VAL 33 4.091 -4.496 -20.328 272 HA VAL 33 HA VAL 33 3.279 -2.599 -18.238 273 HB VAL 33 HB VAL 33 6.022 -3.190 -19.374 274 1HG1 VAL 33 3HG1 VAL 33 5.645 -0.856 -18.525 275 2HG1 VAL 33 1HG1 VAL 33 5.282 -1.552 -16.928 276 3HG1 VAL 33 2HG1 VAL 33 6.897 -1.767 -17.646 277 1HG2 VAL 33 2HG2 VAL 33 4.530 -4.749 -17.604 278 2HG2 VAL 33 3HG2 VAL 33 6.291 -4.814 -17.857 279 3HG2 VAL 33 1HG2 VAL 33 5.615 -3.807 -16.553 280 H TYR 34 H TYR 34 2.704 -0.572 -18.849 281 HA TYR 34 HA TYR 34 3.389 0.199 -21.607 282 1HB TYR 34 1HB TYR 34 1.061 1.072 -19.790 283 2HB TYR 34 2HB TYR 34 1.203 1.403 -21.506 284 HD1 TYR 34 HD1 TYR 34 -0.046 0.095 -22.957 285 HD2 TYR 34 HD2 TYR 34 1.143 -1.562 -19.196 286 HE1 TYR 34 HE1 TYR 34 -1.357 -2.023 -23.467 287 HE2 TYR 34 HE2 TYR 34 -0.172 -3.674 -19.719 288 HH TYR 34 HH TYR 34 -1.026 -4.856 -21.539 289 H ASP 35 H ASP 35 3.676 2.543 -21.981 290 HA ASP 35 HA ASP 35 4.933 3.710 -19.645 291 1HB ASP 35 1HB ASP 35 5.782 5.373 -21.474 292 2HB ASP 35 2HB ASP 35 6.455 3.755 -21.443 293 H LEU 36 H LEU 36 3.162 4.715 -18.544 294 HA LEU 36 HA LEU 36 1.060 6.009 -19.865 295 1HB LEU 36 1HB LEU 36 2.109 6.231 -17.042 296 2HB LEU 36 2HB LEU 36 0.627 6.979 -17.600 297 HG LEU 36 HG LEU 36 1.237 4.030 -17.355 298 1HD1 LEU 36 3HD1 LEU 36 0.074 5.912 -15.613 299 2HD1 LEU 36 1HD1 LEU 36 -1.261 4.905 -16.223 300 3HD1 LEU 36 2HD1 LEU 36 0.139 4.143 -15.432 301 1HD2 LEU 36 1HD2 LEU 36 -0.756 5.402 -19.074 302 2HD2 LEU 36 2HD2 LEU 36 0.037 3.821 -19.261 303 3HD2 LEU 36 3HD2 LEU 36 -1.330 4.004 -18.136 304 H THR 37 H THR 37 4.366 6.923 -19.197 305 HA THR 37 HA THR 37 4.058 9.706 -19.080 306 HB THR 37 HB THR 37 6.191 7.672 -19.406 307 HG1 THR 37 HG1 THR 37 5.927 10.401 -18.352 308 1HG2 THR 37 3HG2 THR 37 6.579 10.514 -20.486 309 2HG2 THR 37 1HG2 THR 37 7.879 9.337 -20.182 310 3HG2 THR 37 2HG2 THR 37 6.678 9.027 -21.458 311 H LYS 38 H LYS 38 3.578 7.469 -21.690 312 HA LYS 38 HA LYS 38 3.864 9.643 -23.625 313 1HB LYS 38 1HB LYS 38 4.863 7.159 -23.776 314 2HB LYS 38 2HB LYS 38 3.286 6.840 -24.469 315 1HG LYS 38 1HG LYS 38 3.900 9.142 -25.808 316 2HG LYS 38 2HG LYS 38 5.520 8.533 -25.529 317 1HD LYS 38 1HD LYS 38 4.899 6.354 -26.565 318 2HD LYS 38 2HD LYS 38 3.259 6.923 -26.807 319 1HE LYS 38 1HE LYS 38 3.876 7.844 -28.784 320 2HE LYS 38 2HE LYS 38 4.969 8.921 -27.938 321 1HZ LYS 38 2HZ LYS 38 6.279 6.565 -27.963 322 2HZ LYS 38 3HZ LYS 38 5.561 6.584 -29.430 323 3HZ LYS 38 1HZ LYS 38 6.547 7.809 -28.988 324 H PHE 39 H PHE 39 1.589 8.279 -21.560 325 HA PHE 39 HA PHE 39 -0.566 9.022 -23.411 326 1HB PHE 39 1HB PHE 39 -0.278 6.528 -22.753 327 2HB PHE 39 2HB PHE 39 -0.573 7.001 -21.091 328 HD1 PHE 39 HD1 PHE 39 -2.556 5.762 -20.718 329 HD2 PHE 39 HD2 PHE 39 -2.326 8.409 -24.027 330 HE1 PHE 39 HE1 PHE 39 -5.025 5.513 -21.087 331 HE2 PHE 39 HE2 PHE 39 -4.798 8.160 -24.396 332 HZ PHE 39 HZ PHE 39 -6.118 6.715 -22.921 333 H LEU 40 H LEU 40 1.181 10.101 -20.845 334 HA LEU 40 HA LEU 40 -0.668 10.642 -18.855 335 1HB LEU 40 1HB LEU 40 2.017 11.191 -19.416 336 2HB LEU 40 2HB LEU 40 1.271 12.763 -19.212 337 HG LEU 40 HG LEU 40 0.284 11.799 -17.022 338 1HD1 LEU 40 2HD1 LEU 40 2.061 9.603 -17.894 339 2HD1 LEU 40 3HD1 LEU 40 2.215 10.090 -16.189 340 3HD1 LEU 40 1HD1 LEU 40 0.634 9.583 -16.830 341 1HD2 LEU 40 3HD2 LEU 40 3.112 12.642 -17.543 342 2HD2 LEU 40 1HD2 LEU 40 1.798 13.498 -16.704 343 3HD2 LEU 40 2HD2 LEU 40 2.633 12.147 -15.901 344 H GLU 41 H GLU 41 0.518 12.988 -21.370 345 HA GLU 41 HA GLU 41 -1.202 14.961 -20.938 346 1HB GLU 41 1HB GLU 41 -1.074 15.396 -23.464 347 2HB GLU 41 2HB GLU 41 0.458 15.240 -22.626 348 1HG GLU 41 1HG GLU 41 0.773 12.973 -23.413 349 2HG GLU 41 2HG GLU 41 -0.885 12.858 -23.972 350 H GLU 42 H GLU 42 -1.906 11.883 -22.654 351 HA GLU 42 HA GLU 42 -4.484 12.730 -23.445 352 1HB GLU 42 1HB GLU 42 -2.802 10.310 -23.686 353 2HB GLU 42 2HB GLU 42 -4.507 9.944 -23.523 354 1HG GLU 42 1HG GLU 42 -4.086 12.190 -25.368 355 2HG GLU 42 2HG GLU 42 -3.172 10.782 -25.873 356 H HIS 43 H HIS 43 -6.170 10.565 -22.781 357 HA HIS 43 HA HIS 43 -7.335 9.613 -21.153 358 1HB HIS 43 1HB HIS 43 -4.957 9.527 -19.984 359 2HB HIS 43 2HB HIS 43 -5.659 10.752 -18.945 360 HD1 HIS 43 HD1 HIS 43 -7.676 10.032 -17.409 361 HD2 HIS 43 HD2 HIS 43 -5.970 6.920 -19.644 362 HE1 HIS 43 HE1 HIS 43 -8.560 7.862 -16.402 363 HE2 HIS 43 HE2 HIS 43 -7.520 5.987 -17.850 364 HA PRO 44 HA PRO 44 -9.845 13.031 -20.263 365 1HB PRO 44 1HB PRO 44 -11.933 11.767 -19.035 366 2HB PRO 44 2HB PRO 44 -11.752 11.844 -20.776 367 1HG PRO 44 1HG PRO 44 -11.272 9.561 -18.961 368 2HG PRO 44 2HG PRO 44 -11.509 9.552 -20.697 369 1HD PRO 44 1HD PRO 44 -9.019 9.260 -19.303 370 2HD PRO 44 2HD PRO 44 -9.243 9.369 -21.038 371 H GLY 45 H GLY 45 -9.391 10.767 -17.602 372 1HA GLY 45 2HA GLY 45 -8.953 11.135 -15.430 373 2HA GLY 45 1HA GLY 45 -10.067 12.484 -15.530 374 H GLY 46 H GLY 46 -6.918 12.008 -17.257 375 1HA GLY 46 2HA GLY 46 -5.787 14.228 -15.684 376 2HA GLY 46 1HA GLY 46 -5.797 14.303 -17.434 377 H GLU 47 H GLU 47 -3.421 14.291 -15.753 378 HA GLU 47 HA GLU 47 -2.120 12.080 -17.015 379 1HB GLU 47 1HB GLU 47 -1.221 14.538 -15.502 380 2HB GLU 47 2HB GLU 47 -0.087 13.224 -15.746 381 1HG GLU 47 1HG GLU 47 0.233 13.803 -17.918 382 2HG GLU 47 2HG GLU 47 -1.489 13.768 -18.242 383 H GLU 48 H GLU 48 -2.662 13.312 -13.648 384 HA GLU 48 HA GLU 48 -1.266 11.458 -12.280 385 1HB GLU 48 1HB GLU 48 -3.137 13.451 -11.681 386 2HB GLU 48 2HB GLU 48 -3.888 12.001 -11.045 387 1HG GLU 48 1HG GLU 48 -1.452 11.535 -10.055 388 2HG GLU 48 2HG GLU 48 -1.246 13.261 -10.276 389 H VAL 49 H VAL 49 -4.662 11.182 -13.510 390 HA VAL 49 HA VAL 49 -5.480 8.871 -12.451 391 HB VAL 49 HB VAL 49 -6.655 10.328 -14.092 392 1HG1 VAL 49 3HG1 VAL 49 -4.542 9.935 -15.740 393 2HG1 VAL 49 1HG1 VAL 49 -5.671 8.722 -16.388 394 3HG1 VAL 49 2HG1 VAL 49 -6.155 10.434 -16.302 395 1HG2 VAL 49 3HG2 VAL 49 -7.198 7.810 -13.420 396 2HG2 VAL 49 1HG2 VAL 49 -8.165 8.689 -14.629 397 3HG2 VAL 49 2HG2 VAL 49 -6.909 7.544 -15.156 398 H LEU 50 H LEU 50 -2.793 9.322 -14.709 399 HA LEU 50 HA LEU 50 -2.510 6.408 -14.872 400 1HB LEU 50 1HB LEU 50 -1.195 8.518 -16.583 401 2HB LEU 50 2HB LEU 50 -1.146 6.781 -16.818 402 HG LEU 50 HG LEU 50 -3.864 7.318 -16.825 403 1HD1 LEU 50 3HD1 LEU 50 -2.942 9.803 -16.969 404 2HD1 LEU 50 1HD1 LEU 50 -2.796 9.383 -18.692 405 3HD1 LEU 50 2HD1 LEU 50 -4.375 9.270 -17.880 406 1HD2 LEU 50 3HD2 LEU 50 -2.537 5.797 -18.297 407 2HD2 LEU 50 1HD2 LEU 50 -3.782 6.741 -19.147 408 3HD2 LEU 50 2HD2 LEU 50 -2.071 7.217 -19.262 409 H ARG 51 H ARG 51 -0.866 9.504 -14.063 410 HA ARG 51 HA ARG 51 1.579 8.363 -13.476 411 1HB ARG 51 1HB ARG 51 0.715 10.903 -13.662 412 2HB ARG 51 2HB ARG 51 0.576 10.758 -11.921 413 1HG ARG 51 1HG ARG 51 3.100 9.633 -12.495 414 2HG ARG 51 2HG ARG 51 2.992 11.006 -13.581 415 1HD ARG 51 1HD ARG 51 2.323 11.242 -10.615 416 2HD ARG 51 2HD ARG 51 3.955 11.453 -11.216 417 HE ARG 51 HE ARG 51 1.969 13.070 -12.649 418 1HH1 ARG 51 2HH1 ARG 51 2.101 15.341 -12.435 419 2HH1 ARG 51 1HH1 ARG 51 3.070 16.039 -11.180 420 1HH2 ARG 51 2HH2 ARG 51 4.140 12.944 -9.881 421 2HH2 ARG 51 1HH2 ARG 51 4.239 14.666 -9.719 422 H GLU 52 H GLU 52 -1.340 9.048 -11.457 423 HA GLU 52 HA GLU 52 -0.214 8.391 -9.025 424 1HB GLU 52 1HB GLU 52 -2.777 9.118 -10.038 425 2HB GLU 52 2HB GLU 52 -3.021 7.633 -9.140 426 1HG GLU 52 1HG GLU 52 -1.430 9.967 -7.995 427 2HG GLU 52 2HG GLU 52 -3.167 9.847 -7.806 428 H GLN 53 H GLN 53 -1.242 6.400 -11.731 429 HA GLN 53 HA GLN 53 -1.288 4.049 -10.047 430 1HB GLN 53 1HB GLN 53 -2.074 2.886 -12.114 431 2HB GLN 53 2HB GLN 53 -3.096 4.241 -11.676 432 1HG GLN 53 1HG GLN 53 -1.993 5.677 -13.355 433 2HG GLN 53 2HG GLN 53 -0.839 4.412 -13.729 434 1HE2 GLN 53 1HE2 GLN 53 -4.117 5.525 -14.018 435 2HE2 GLN 53 2HE2 GLN 53 -4.662 4.411 -15.227 436 H ALA 54 H ALA 54 0.742 5.817 -12.311 437 HA ALA 54 HA ALA 54 2.350 3.769 -13.258 438 1HB ALA 54 2HB ALA 54 2.805 6.714 -12.690 439 2HB ALA 54 3HB ALA 54 4.060 5.686 -13.424 440 3HB ALA 54 1HB ALA 54 2.503 5.920 -14.254 441 H GLY 55 H GLY 55 4.018 2.569 -12.407 442 1HA GLY 55 2HA GLY 55 4.858 3.254 -9.654 443 2HA GLY 55 1HA GLY 55 5.899 2.534 -10.866 444 H GLY 56 H GLY 56 3.271 0.966 -11.755 445 1HA GLY 56 2HA GLY 56 2.820 -0.828 -9.547 446 2HA GLY 56 1HA GLY 56 3.866 -1.499 -10.783 447 H ASP 57 H ASP 57 1.548 -2.840 -10.439 448 HA ASP 57 HA ASP 57 0.397 -2.717 -12.941 449 1HB ASP 57 1HB ASP 57 -0.162 -4.770 -12.146 450 2HB ASP 57 2HB ASP 57 0.127 -4.268 -10.493 451 H ALA 58 H ALA 58 -1.446 -1.604 -13.717 452 HA ALA 58 HA ALA 58 -2.874 0.027 -11.728 453 1HB ALA 58 1HB ALA 58 -1.374 1.168 -13.489 454 2HB ALA 58 2HB ALA 58 -2.589 0.650 -14.682 455 3HB ALA 58 3HB ALA 58 -3.053 1.743 -13.356 456 H THR 59 H THR 59 -3.004 -2.556 -14.026 457 HA THR 59 HA THR 59 -5.546 -2.324 -15.077 458 HB THR 59 HB THR 59 -3.441 -4.151 -15.104 459 HG1 THR 59 HG1 THR 59 -6.268 -4.325 -15.882 460 1HG2 THR 59 3HG2 THR 59 -5.941 -5.491 -13.942 461 2HG2 THR 59 1HG2 THR 59 -4.510 -6.335 -14.580 462 3HG2 THR 59 2HG2 THR 59 -4.377 -5.352 -13.102 463 H GLU 60 H GLU 60 -4.534 -3.716 -11.900 464 HA GLU 60 HA GLU 60 -6.875 -4.727 -11.093 465 1HB GLU 60 1HB GLU 60 -6.124 -4.305 -8.787 466 2HB GLU 60 2HB GLU 60 -4.774 -4.802 -9.785 467 1HG GLU 60 1HG GLU 60 -3.674 -2.906 -9.222 468 2HG GLU 60 2HG GLU 60 -4.912 -1.960 -10.025 469 H ASN 61 H ASN 61 -6.050 -1.316 -11.543 470 HA ASN 61 HA ASN 61 -8.495 -0.542 -10.205 471 1HB ASN 61 1HB ASN 61 -5.928 0.650 -10.469 472 2HB ASN 61 2HB ASN 61 -6.971 1.634 -11.477 473 1HD2 ASN 61 1HD2 ASN 61 -6.257 0.510 -8.271 474 2HD2 ASN 61 2HD2 ASN 61 -7.270 1.599 -7.384 475 H PHE 62 H PHE 62 -6.666 0.001 -13.315 476 HA PHE 62 HA PHE 62 -8.530 1.356 -14.733 477 1HB PHE 62 1HB PHE 62 -6.603 1.011 -15.999 478 2HB PHE 62 2HB PHE 62 -6.248 -0.494 -15.174 479 HD1 PHE 62 HD1 PHE 62 -7.711 -2.547 -15.872 480 HD2 PHE 62 HD2 PHE 62 -7.265 0.959 -18.221 481 HE1 PHE 62 HE1 PHE 62 -8.395 -3.830 -17.918 482 HE2 PHE 62 HE2 PHE 62 -7.951 -0.325 -20.267 483 HZ PHE 62 HZ PHE 62 -8.507 -2.704 -20.091 484 H GLU 63 H GLU 63 -8.707 -1.961 -13.609 485 HA GLU 63 HA GLU 63 -10.624 -2.713 -15.586 486 1HB GLU 63 1HB GLU 63 -9.173 -4.022 -13.338 487 2HB GLU 63 2HB GLU 63 -10.779 -4.657 -13.642 488 1HG GLU 63 1HG GLU 63 -8.730 -4.265 -15.867 489 2HG GLU 63 2HG GLU 63 -8.848 -5.754 -14.951 490 H ASP 64 H ASP 64 -10.568 -1.756 -12.113 491 HA ASP 64 HA ASP 64 -13.211 -2.307 -11.576 492 1HB ASP 64 1HB ASP 64 -11.048 -1.265 -10.195 493 2HB ASP 64 2HB ASP 64 -12.080 0.147 -10.316 494 H VAL 65 H VAL 65 -11.646 0.202 -13.473 495 HA VAL 65 HA VAL 65 -13.992 1.928 -13.365 496 HB VAL 65 HB VAL 65 -12.462 3.508 -13.502 497 1HG1 VAL 65 3HG1 VAL 65 -10.900 1.834 -12.520 498 2HG1 VAL 65 1HG1 VAL 65 -10.359 1.420 -14.163 499 3HG1 VAL 65 2HG1 VAL 65 -10.083 3.058 -13.521 500 1HG2 VAL 65 2HG2 VAL 65 -11.852 2.246 -16.190 501 2HG2 VAL 65 3HG2 VAL 65 -12.895 3.646 -15.842 502 3HG2 VAL 65 1HG2 VAL 65 -11.131 3.779 -15.641 503 H GLY 66 H GLY 66 -13.248 -0.887 -14.852 504 1HA GLY 66 2HA GLY 66 -15.177 -1.000 -16.688 505 2HA GLY 66 1HA GLY 66 -13.635 -1.807 -16.894 506 H HIS 67 H HIS 67 -11.912 -0.749 -18.132 507 HA HIS 67 HA HIS 67 -12.538 1.704 -19.458 508 1HB HIS 67 1HB HIS 67 -10.209 -0.192 -19.415 509 2HB HIS 67 2HB HIS 67 -10.321 1.008 -20.688 510 HD1 HIS 67 HD1 HIS 67 -10.332 0.866 -16.857 511 HD2 HIS 67 HD2 HIS 67 -9.342 3.474 -19.991 512 HE1 HIS 67 HE1 HIS 67 -9.242 2.904 -15.775 513 HE2 HIS 67 HE2 HIS 67 -8.606 4.445 -17.754 514 H SER 68 H SER 68 -11.789 1.530 -22.039 515 HA SER 68 HA SER 68 -13.720 -0.382 -23.078 516 1HB SER 68 1HB SER 68 -14.228 1.139 -24.782 517 2HB SER 68 2HB SER 68 -13.894 2.214 -23.439 518 HG SER 68 HG SER 68 -12.626 3.091 -24.989 519 H THR 69 H THR 69 -13.174 -1.598 -25.040 520 HA THR 69 HA THR 69 -10.620 -2.672 -25.035 521 HB THR 69 HB THR 69 -12.959 -2.616 -26.982 522 HG1 THR 69 HG1 THR 69 -13.188 -4.642 -25.982 523 1HG2 THR 69 1HG2 THR 69 -10.166 -3.539 -27.482 524 2HG2 THR 69 2HG2 THR 69 -11.413 -4.784 -27.737 525 3HG2 THR 69 3HG2 THR 69 -11.484 -3.253 -28.642 526 H ASP 70 H ASP 70 -11.767 0.337 -26.382 527 HA ASP 70 HA ASP 70 -9.779 0.514 -28.367 528 1HB ASP 70 1HB ASP 70 -11.920 1.823 -28.363 529 2HB ASP 70 2HB ASP 70 -11.374 2.701 -26.948 530 H ALA 71 H ALA 71 -10.266 1.865 -25.026 531 HA ALA 71 HA ALA 71 -7.959 3.384 -24.883 532 1HB ALA 71 1HB ALA 71 -8.278 3.111 -22.407 533 2HB ALA 71 2HB ALA 71 -9.767 3.564 -23.269 534 3HB ALA 71 3HB ALA 71 -9.520 1.881 -22.743 535 H ARG 72 H ARG 72 -8.537 -0.111 -24.187 536 HA ARG 72 HA ARG 72 -5.995 -0.569 -23.182 537 1HB ARG 72 1HB ARG 72 -7.787 -2.564 -24.656 538 2HB ARG 72 2HB ARG 72 -6.531 -2.959 -23.500 539 1HG ARG 72 1HG ARG 72 -7.796 -1.713 -21.721 540 2HG ARG 72 2HG ARG 72 -9.060 -1.358 -22.881 541 1HD ARG 72 1HD ARG 72 -9.728 -3.311 -21.560 542 2HD ARG 72 2HD ARG 72 -9.432 -3.824 -23.209 543 HE ARG 72 HE ARG 72 -7.776 -4.460 -20.846 544 1HH1 ARG 72 2HH1 ARG 72 -6.174 -6.067 -21.117 545 2HH1 ARG 72 1HH1 ARG 72 -5.763 -6.619 -22.707 546 1HH2 ARG 72 2HH2 ARG 72 -8.054 -4.509 -24.353 547 2HH2 ARG 72 1HH2 ARG 72 -6.839 -5.727 -24.559 548 H GLU 73 H GLU 73 -7.422 -0.815 -26.492 549 HA GLU 73 HA GLU 73 -5.207 -1.974 -27.686 550 1HB GLU 73 1HB GLU 73 -7.765 -1.212 -28.473 551 2HB GLU 73 2HB GLU 73 -6.754 -0.124 -29.402 552 1HG GLU 73 1HG GLU 73 -5.374 -2.173 -30.106 553 2HG GLU 73 2HG GLU 73 -6.604 -3.171 -29.357 554 H LEU 74 H LEU 74 -6.114 1.448 -27.058 555 HA LEU 74 HA LEU 74 -4.098 2.604 -28.615 556 1HB LEU 74 1HB LEU 74 -5.094 4.471 -27.996 557 2HB LEU 74 2HB LEU 74 -6.249 3.465 -27.145 558 HG LEU 74 HG LEU 74 -4.355 3.667 -25.228 559 1HD1 LEU 74 3HD1 LEU 74 -4.107 6.173 -26.903 560 2HD1 LEU 74 1HD1 LEU 74 -3.639 6.086 -25.187 561 3HD1 LEU 74 2HD1 LEU 74 -2.819 5.059 -26.385 562 1HD2 LEU 74 1HD2 LEU 74 -6.920 4.851 -25.800 563 2HD2 LEU 74 2HD2 LEU 74 -6.212 4.366 -24.239 564 3HD2 LEU 74 3HD2 LEU 74 -5.901 5.993 -24.892 565 H SER 75 H SER 75 -4.192 1.378 -25.240 566 HA SER 75 HA SER 75 -1.799 2.440 -24.420 567 1HB SER 75 1HB SER 75 -2.094 -0.171 -23.259 568 2HB SER 75 2HB SER 75 -2.440 1.385 -22.533 569 HG SER 75 HG SER 75 -4.580 1.302 -23.347 570 H LYS 76 H LYS 76 -2.519 -0.142 -26.685 571 HA LYS 76 HA LYS 76 -0.241 -1.697 -26.460 572 1HB LYS 76 1HB LYS 76 -1.028 -2.751 -28.302 573 2HB LYS 76 2HB LYS 76 -2.475 -1.841 -27.922 574 1HG LYS 76 1HG LYS 76 -1.752 -0.030 -29.491 575 2HG LYS 76 2HG LYS 76 -0.302 -0.937 -29.871 576 1HD LYS 76 1HD LYS 76 -1.690 -2.815 -30.748 577 2HD LYS 76 2HD LYS 76 -3.152 -1.942 -30.335 578 1HE LYS 76 1HE LYS 76 -3.070 -0.998 -32.400 579 2HE LYS 76 2HE LYS 76 -1.680 -0.080 -31.852 580 1HZ LYS 76 3HZ LYS 76 -1.325 -2.811 -32.814 581 2HZ LYS 76 1HZ LYS 76 -1.450 -1.579 -33.880 582 3HZ LYS 76 2HZ LYS 76 -0.243 -1.589 -32.779 583 H THR 77 H THR 77 -0.596 1.615 -27.389 584 HA THR 77 HA THR 77 1.788 1.639 -29.033 585 HB THR 77 HB THR 77 -0.345 3.063 -29.364 586 HG1 THR 77 HG1 THR 77 1.186 4.286 -30.396 587 1HG2 THR 77 3HG2 THR 77 -0.017 3.769 -26.712 588 2HG2 THR 77 1HG2 THR 77 0.856 5.088 -27.527 589 3HG2 THR 77 2HG2 THR 77 -0.855 4.785 -27.910 590 H PHE 78 H PHE 78 0.838 2.241 -25.664 591 HA PHE 78 HA PHE 78 3.394 3.459 -25.096 592 1HB PHE 78 1HB PHE 78 1.216 2.446 -23.187 593 2HB PHE 78 2HB PHE 78 2.371 3.726 -22.872 594 HD1 PHE 78 HD1 PHE 78 2.140 5.361 -25.316 595 HD2 PHE 78 HD2 PHE 78 -0.867 3.453 -23.008 596 HE1 PHE 78 HE1 PHE 78 0.466 7.062 -26.093 597 HE2 PHE 78 HE2 PHE 78 -2.542 5.155 -23.786 598 HZ PHE 78 HZ PHE 78 -1.855 6.938 -25.318 599 H ILE 79 H ILE 79 1.978 0.279 -25.220 600 HA ILE 79 HA ILE 79 3.221 -1.039 -23.172 601 HB ILE 79 HB ILE 79 2.218 -1.749 -25.870 602 1HG1 ILE 79 1HG1 ILE 79 1.542 -2.223 -23.025 603 2HG1 ILE 79 2HG1 ILE 79 0.499 -1.933 -24.402 604 1HG2 ILE 79 2HG2 ILE 79 4.345 -2.963 -25.803 605 2HG2 ILE 79 3HG2 ILE 79 3.897 -3.668 -24.231 606 3HG2 ILE 79 1HG2 ILE 79 2.954 -4.067 -25.687 607 1HD1 ILE 79 2HD1 ILE 79 1.019 -4.274 -25.224 608 2HD1 ILE 79 3HD1 ILE 79 1.919 -4.545 -23.713 609 3HD1 ILE 79 1HD1 ILE 79 0.168 -4.229 -23.662 610 H ILE 80 H ILE 80 5.306 -1.058 -22.544 611 HA ILE 80 HA ILE 80 7.322 -0.776 -24.654 612 HB ILE 80 HB ILE 80 8.689 -0.334 -22.388 613 1HG1 ILE 80 1HG1 ILE 80 5.961 0.827 -21.772 614 2HG1 ILE 80 2HG1 ILE 80 6.558 -0.657 -21.054 615 1HG2 ILE 80 3HG2 ILE 80 7.099 1.579 -24.100 616 2HG2 ILE 80 1HG2 ILE 80 8.220 2.129 -22.832 617 3HG2 ILE 80 2HG2 ILE 80 8.827 1.165 -24.198 618 1HD1 ILE 80 2HD1 ILE 80 8.707 0.886 -20.533 619 2HD1 ILE 80 3HD1 ILE 80 7.479 2.171 -20.626 620 3HD1 ILE 80 1HD1 ILE 80 7.294 0.848 -19.451 621 H GLY 81 H GLY 81 5.973 -2.864 -22.163 622 1HA GLY 81 2HA GLY 81 8.101 -4.539 -21.599 623 2HA GLY 81 1HA GLY 81 7.437 -5.105 -23.119 624 H GLU 82 H GLU 82 7.418 -6.296 -20.313 625 HA GLU 82 HA GLU 82 4.649 -6.157 -19.600 626 1HB GLU 82 1HB GLU 82 5.615 -8.947 -20.154 627 2HB GLU 82 2HB GLU 82 3.985 -8.307 -20.193 628 1HG GLU 82 1HG GLU 82 4.521 -7.060 -22.294 629 2HG GLU 82 2HG GLU 82 6.156 -7.689 -22.253 630 H LEU 83 H LEU 83 4.210 -7.462 -17.566 631 HA LEU 83 HA LEU 83 6.392 -7.117 -15.780 632 1HB LEU 83 1HB LEU 83 3.997 -6.706 -15.256 633 2HB LEU 83 2HB LEU 83 3.708 -8.433 -15.335 634 HG LEU 83 HG LEU 83 4.303 -8.680 -13.212 635 1HD1 LEU 83 1HD1 LEU 83 6.874 -7.307 -14.014 636 2HD1 LEU 83 2HD1 LEU 83 6.574 -7.931 -12.375 637 3HD1 LEU 83 3HD1 LEU 83 6.573 -9.044 -13.764 638 1HD2 LEU 83 1HD2 LEU 83 3.670 -5.989 -13.458 639 2HD2 LEU 83 2HD2 LEU 83 3.771 -6.927 -11.947 640 3HD2 LEU 83 3HD2 LEU 83 5.177 -5.991 -12.511 641 H HIS 84 H HIS 84 8.045 -8.494 -15.442 642 HA HIS 84 HA HIS 84 8.090 -11.012 -16.668 643 1HB HIS 84 1HB HIS 84 9.914 -9.258 -15.461 644 2HB HIS 84 2HB HIS 84 9.995 -10.716 -14.492 645 HD1 HIS 84 HD1 HIS 84 9.197 -11.179 -18.115 646 HD2 HIS 84 HD2 HIS 84 12.579 -11.211 -15.634 647 HE1 HIS 84 HE1 HIS 84 11.075 -12.235 -19.482 648 HE2 HIS 84 HE2 HIS 84 13.141 -12.176 -17.924 649 HA PRO 85 HA PRO 85 6.759 -13.680 -13.505 650 1HB PRO 85 1HB PRO 85 8.746 -15.481 -12.983 651 2HB PRO 85 2HB PRO 85 7.713 -15.578 -14.393 652 1HG PRO 85 1HG PRO 85 10.530 -14.700 -14.216 653 2HG PRO 85 2HG PRO 85 9.625 -15.206 -15.628 654 1HD PRO 85 1HD PRO 85 10.298 -12.518 -14.893 655 2HD PRO 85 2HD PRO 85 9.295 -13.015 -16.243 656 H ASP 86 H ASP 86 8.546 -11.276 -12.697 657 HA ASP 86 HA ASP 86 9.393 -12.149 -10.128 658 1HB ASP 86 1HB ASP 86 10.754 -10.405 -10.784 659 2HB ASP 86 2HB ASP 86 9.510 -9.670 -11.775 660 H ASP 87 H ASP 87 6.555 -10.688 -11.659 661 HA ASP 87 HA ASP 87 5.131 -10.900 -9.205 662 1HB ASP 87 1HB ASP 87 5.963 -8.260 -10.339 663 2HB ASP 87 2HB ASP 87 4.276 -8.373 -9.880 664 H ARG 88 H ARG 88 4.450 -12.511 -11.099 665 HA ARG 88 HA ARG 88 2.876 -11.228 -13.117 666 1HB ARG 88 1HB ARG 88 3.471 -14.165 -12.508 667 2HB ARG 88 2HB ARG 88 2.465 -13.654 -13.847 668 1HG ARG 88 1HG ARG 88 5.277 -12.552 -13.493 669 2HG ARG 88 2HG ARG 88 5.003 -14.081 -14.302 670 1HD ARG 88 1HD ARG 88 3.859 -11.369 -15.122 671 2HD ARG 88 2HD ARG 88 5.088 -12.281 -15.977 672 HE ARG 88 HE ARG 88 2.814 -13.971 -15.708 673 1HH1 ARG 88 2HH1 ARG 88 1.341 -14.270 -17.429 674 2HH1 ARG 88 1HH1 ARG 88 1.241 -13.094 -18.696 675 1HH2 ARG 88 2HH2 ARG 88 3.720 -10.989 -17.342 676 2HH2 ARG 88 1HH2 ARG 88 2.603 -11.215 -18.647 677 H SER 89 H SER 89 2.102 -14.214 -11.214 678 HA SER 89 HA SER 89 -0.615 -13.666 -11.219 679 1HB SER 89 1HB SER 89 0.634 -15.909 -10.861 680 2HB SER 89 2HB SER 89 0.801 -15.426 -9.184 681 HG SER 89 HG SER 89 -1.492 -15.351 -8.978 682 H LYS 90 H LYS 90 1.873 -12.114 -9.547 683 HA LYS 90 HA LYS 90 0.538 -11.758 -7.042 684 1HB LYS 90 1HB LYS 90 3.118 -11.087 -8.250 685 2HB LYS 90 2HB LYS 90 2.480 -9.781 -7.276 686 1HG LYS 90 1HG LYS 90 2.122 -12.418 -5.993 687 2HG LYS 90 2HG LYS 90 3.806 -12.055 -6.314 688 1HD LYS 90 1HD LYS 90 3.574 -9.867 -5.141 689 2HD LYS 90 2HD LYS 90 1.875 -10.188 -4.855 690 1HE LYS 90 1HE LYS 90 2.692 -12.381 -3.674 691 2HE LYS 90 2HE LYS 90 4.278 -11.636 -3.676 692 1HZ LYS 90 2HZ LYS 90 2.056 -10.045 -2.715 693 2HZ LYS 90 3HZ LYS 90 2.596 -11.248 -1.751 694 3HZ LYS 90 1HZ LYS 90 3.613 -10.062 -2.222 695 H ILE 91 H ILE 91 0.426 -10.327 -10.238 696 HA ILE 91 HA ILE 91 -1.331 -8.248 -9.138 697 HB ILE 91 HB ILE 91 -0.394 -6.600 -10.378 698 1HG1 ILE 91 1HG1 ILE 91 0.651 -8.694 -12.306 699 2HG1 ILE 91 2HG1 ILE 91 -0.712 -7.621 -12.558 700 1HG2 ILE 91 3HG2 ILE 91 1.289 -7.761 -8.778 701 2HG2 ILE 91 1HG2 ILE 91 2.109 -8.262 -10.276 702 3HG2 ILE 91 2HG2 ILE 91 1.877 -6.532 -9.923 703 1HD1 ILE 91 3HD1 ILE 91 1.541 -5.991 -11.809 704 2HD1 ILE 91 1HD1 ILE 91 2.068 -7.116 -13.084 705 3HD1 ILE 91 2HD1 ILE 91 0.683 -6.035 -13.368 706 H THR 92 H THR 92 -0.584 -10.692 -11.596 707 HA THR 92 HA THR 92 -2.217 -10.316 -13.628 708 HB THR 92 HB THR 92 -0.887 -12.439 -12.698 709 HG1 THR 92 HG1 THR 92 -2.136 -11.932 -14.804 710 1HG2 THR 92 1HG2 THR 92 -3.822 -13.107 -12.119 711 2HG2 THR 92 2HG2 THR 92 -2.473 -14.269 -12.122 712 3HG2 THR 92 3HG2 THR 92 -2.542 -12.988 -10.888 713 H LYS 93 H LYS 93 -4.196 -9.546 -13.971 714 HA LYS 93 HA LYS 93 -6.303 -8.982 -13.626 715 1HB LYS 93 1HB LYS 93 -6.107 -11.820 -13.014 716 2HB LYS 93 2HB LYS 93 -7.428 -11.073 -12.139 717 1HG LYS 93 1HG LYS 93 -8.036 -9.942 -14.427 718 2HG LYS 93 2HG LYS 93 -6.969 -11.133 -15.144 719 1HD LYS 93 1HD LYS 93 -8.406 -12.891 -14.718 720 2HD LYS 93 2HD LYS 93 -8.942 -12.228 -13.188 721 1HE LYS 93 1HE LYS 93 -10.423 -10.639 -14.308 722 2HE LYS 93 2HE LYS 93 -9.755 -11.035 -15.878 723 1HZ LYS 93 1HZ LYS 93 -10.942 -13.146 -14.259 724 2HZ LYS 93 2HZ LYS 93 -11.911 -12.144 -15.108 725 3HZ LYS 93 3HZ LYS 93 -10.799 -13.054 -15.884 726 HA PRO 94 HA PRO 94 -6.787 -7.191 -9.729 727 1HB PRO 94 1HB PRO 94 -9.487 -6.874 -9.465 728 2HB PRO 94 2HB PRO 94 -8.490 -5.816 -10.442 729 1HG PRO 94 1HG PRO 94 -10.350 -7.942 -11.319 730 2HG PRO 94 2HG PRO 94 -9.680 -6.616 -12.249 731 1HD PRO 94 1HD PRO 94 -8.857 -9.363 -12.339 732 2HD PRO 94 2HD PRO 94 -8.114 -8.017 -13.182 733 H SER 95 H SER 95 -8.721 -7.296 -7.729 734 HA SER 95 HA SER 95 -8.266 -10.054 -6.896 735 1HB SER 95 1HB SER 95 -8.345 -9.177 -4.556 736 2HB SER 95 2HB SER 95 -7.034 -8.486 -5.492 737 HG SER 95 HG SER 95 -9.506 -7.081 -5.530 738 H GLU 96 H GLU 96 -10.000 -11.007 -5.479 739 HA GLU 96 HA GLU 96 -12.554 -10.208 -6.506 740 1HB GLU 96 1HB GLU 96 -11.458 -12.652 -5.983 741 2HB GLU 96 2HB GLU 96 -12.351 -12.411 -4.493 742 1HG GLU 96 1HG GLU 96 -14.075 -11.593 -6.645 743 2HG GLU 96 2HG GLU 96 -13.364 -13.125 -7.115 744 H SER 97 H SER 97 -14.451 -10.545 -4.687 745 HA SER 97 HA SER 97 -13.592 -9.200 -2.267 746 1HB SER 97 1HB SER 97 -15.449 -7.580 -2.416 747 2HB SER 97 2HB SER 97 -14.361 -7.407 -3.779 748 HG SER 97 HG SER 97 -16.660 -9.115 -4.002 749 H ILE 98 H ILE 98 -15.709 -9.056 -0.728 750 HA ILE 98 HA ILE 98 -17.562 -11.206 -1.183 751 HB ILE 98 HB ILE 98 -15.331 -12.132 -0.200 752 1HG1 ILE 98 1HG1 ILE 98 -17.245 -13.522 -0.534 753 2HG1 ILE 98 2HG1 ILE 98 -16.638 -13.822 1.083 754 1HG2 ILE 98 2HG2 ILE 98 -15.476 -10.290 1.643 755 2HG2 ILE 98 3HG2 ILE 98 -16.599 -11.427 2.427 756 3HG2 ILE 98 1HG2 ILE 98 -14.932 -11.933 2.064 757 1HD1 ILE 98 3HD1 ILE 98 -18.406 -11.800 1.620 758 2HD1 ILE 98 1HD1 ILE 98 -19.199 -12.563 0.220 759 3HD1 ILE 98 2HD1 ILE 98 -18.836 -13.528 1.671 760 H ILE 99 H ILE 99 -19.509 -10.548 -0.434 761 HA ILE 99 HA ILE 99 -19.461 -8.466 1.640 762 HB ILE 99 HB ILE 99 -21.504 -7.589 0.640 763 1HG1 ILE 99 1HG1 ILE 99 -21.082 -9.397 -1.738 764 2HG1 ILE 99 2HG1 ILE 99 -22.104 -9.882 -0.399 765 1HG2 ILE 99 3HG2 ILE 99 -19.334 -6.647 0.012 766 2HG2 ILE 99 1HG2 ILE 99 -19.210 -7.812 -1.328 767 3HG2 ILE 99 2HG2 ILE 99 -20.491 -6.576 -1.340 768 1HD1 ILE 99 1HD1 ILE 99 -22.644 -7.116 -1.285 769 2HD1 ILE 99 2HD1 ILE 99 -22.909 -8.327 -2.563 770 3HD1 ILE 99 3HD1 ILE 99 -23.776 -8.463 -1.015 771 H THR 100 H THR 100 -21.600 -8.419 2.925 772 HA THR 100 HA THR 100 -22.871 -11.024 3.122 773 HB THR 100 HB THR 100 -21.106 -9.766 5.275 774 HG1 THR 100 HG1 THR 100 -21.469 -12.345 3.920 775 1HG2 THR 100 2HG2 THR 100 -23.337 -11.833 5.485 776 2HG2 THR 100 3HG2 THR 100 -21.930 -11.890 6.572 777 3HG2 THR 100 1HG2 THR 100 -22.996 -10.464 6.573 778 H THR 101 H THR 101 -24.982 -10.901 3.710 779 HA THR 101 HA THR 101 -25.889 -8.254 4.636 780 HB THR 101 HB THR 101 -26.376 -8.834 2.181 781 HG1 THR 101 HG1 THR 101 -28.664 -8.211 2.591 782 1HG2 THR 101 1HG2 THR 101 -27.141 -11.326 3.215 783 2HG2 THR 101 2HG2 THR 101 -28.694 -10.483 3.008 784 3HG2 THR 101 3HG2 THR 101 -27.604 -10.693 1.618 785 H ILE 102 H ILE 102 -28.121 -8.383 5.699 786 HA ILE 102 HA ILE 102 -28.685 -10.914 6.942 787 HB ILE 102 HB ILE 102 -28.437 -10.075 9.229 788 1HG1 ILE 102 1HG1 ILE 102 -26.602 -7.887 8.566 789 2HG1 ILE 102 2HG1 ILE 102 -28.249 -7.567 8.060 790 1HG2 ILE 102 2HG2 ILE 102 -26.688 -11.455 8.150 791 2HG2 ILE 102 3HG2 ILE 102 -25.843 -9.964 7.667 792 3HG2 ILE 102 1HG2 ILE 102 -26.043 -10.354 9.392 793 1HD1 ILE 102 2HD1 ILE 102 -28.827 -8.527 10.500 794 2HD1 ILE 102 3HD1 ILE 102 -27.159 -7.999 10.831 795 3HD1 ILE 102 1HD1 ILE 102 -28.369 -6.824 10.258 796 H ASP 103 H ASP 103 -30.533 -10.358 8.747 797 HA ASP 103 HA ASP 103 -32.568 -9.685 9.068 798 1HB ASP 103 1HB ASP 103 -31.698 -7.197 7.524 799 2HB ASP 103 2HB ASP 103 -33.215 -7.326 8.389 800 H SER 104 H SER 104 -34.726 -9.402 7.920 801 HA SER 104 HA SER 104 -34.453 -9.884 5.057 802 1HB SER 104 1HB SER 104 -35.995 -11.396 7.148 803 2HB SER 104 2HB SER 104 -36.746 -11.217 5.575 804 HG SER 104 HG SER 104 -35.546 -12.922 5.066 No H/Q in entry = 804 Start of MODEL 8 1 H ALA 1 H ALA 1 31.483 2.383 -35.131 2 HA ALA 1 HA ALA 1 33.088 0.799 -34.929 3 1HB ALA 1 3HB ALA 1 34.244 2.304 -33.241 4 2HB ALA 1 2HB ALA 1 34.463 0.559 -32.973 5 3HB ALA 1 1HB ALA 1 33.310 1.475 -31.974 6 H GLU 2 H GLU 2 30.957 1.132 -32.004 7 HA GLU 2 HA GLU 2 29.664 -1.301 -32.781 8 1HB GLU 2 1HB GLU 2 31.770 -1.375 -30.848 9 2HB GLU 2 2HB GLU 2 30.273 -1.570 -29.957 10 1HG GLU 2 1HG GLU 2 29.599 -3.359 -31.662 11 2HG GLU 2 2HG GLU 2 31.216 -3.245 -32.328 12 H GLU 3 H GLU 3 27.652 -1.683 -31.478 13 HA GLU 3 HA GLU 3 26.854 0.168 -29.557 14 1HB GLU 3 1HB GLU 3 25.162 1.440 -30.810 15 2HB GLU 3 2HB GLU 3 26.756 1.731 -31.475 16 1HG GLU 3 1HG GLU 3 25.420 -0.586 -32.731 17 2HG GLU 3 2HG GLU 3 24.496 0.892 -32.911 18 H SER 4 H SER 4 24.252 -0.010 -29.326 19 HA SER 4 HA SER 4 22.905 -2.089 -30.444 20 1HB SER 4 1HB SER 4 24.893 -3.046 -28.592 21 2HB SER 4 2HB SER 4 23.320 -3.320 -27.871 22 HG SER 4 HG SER 4 22.692 -4.595 -29.612 23 H SER 5 H SER 5 20.807 -2.499 -29.290 24 HA SER 5 HA SER 5 20.245 -1.317 -26.853 25 1HB SER 5 1HB SER 5 18.846 0.609 -27.587 26 2HB SER 5 2HB SER 5 20.539 0.835 -27.981 27 HG SER 5 HG SER 5 19.382 -0.438 -30.081 28 H LYS 6 H LYS 6 17.697 -1.163 -26.576 29 HA LYS 6 HA LYS 6 16.045 -2.405 -28.453 30 1HB LYS 6 1HB LYS 6 15.751 -4.608 -27.563 31 2HB LYS 6 2HB LYS 6 17.453 -4.387 -27.918 32 1HG LYS 6 1HG LYS 6 17.446 -3.529 -25.331 33 2HG LYS 6 2HG LYS 6 16.081 -4.625 -25.259 34 1HD LYS 6 1HD LYS 6 17.420 -6.463 -25.365 35 2HD LYS 6 2HD LYS 6 18.308 -5.833 -26.737 36 1HE LYS 6 1HE LYS 6 20.067 -5.323 -25.398 37 2HE LYS 6 2HE LYS 6 19.055 -4.261 -24.440 38 1HZ LYS 6 3HZ LYS 6 18.337 -6.204 -23.191 39 2HZ LYS 6 1HZ LYS 6 19.334 -7.162 -24.060 40 3HZ LYS 6 2HZ LYS 6 19.953 -5.998 -23.095 41 H ALA 7 H ALA 7 13.935 -3.254 -27.145 42 HA ALA 7 HA ALA 7 13.362 -1.049 -25.324 43 1HB ALA 7 3HB ALA 7 11.132 -2.796 -26.035 44 2HB ALA 7 1HB ALA 7 11.338 -1.050 -26.311 45 3HB ALA 7 2HB ALA 7 11.999 -2.219 -27.478 46 H VAL 8 H VAL 8 12.074 -1.511 -23.338 47 HA VAL 8 HA VAL 8 13.293 -3.208 -21.638 48 HB VAL 8 HB VAL 8 11.920 -1.787 -20.556 49 1HG1 VAL 8 2HG1 VAL 8 10.279 -2.004 -22.997 50 2HG1 VAL 8 3HG1 VAL 8 9.348 -1.719 -21.506 51 3HG1 VAL 8 1HG1 VAL 8 10.643 -0.591 -21.976 52 1HG2 VAL 8 3HG2 VAL 8 11.367 -4.144 -19.831 53 2HG2 VAL 8 1HG2 VAL 8 10.127 -2.923 -19.462 54 3HG2 VAL 8 2HG2 VAL 8 9.902 -4.031 -20.836 55 H LYS 9 H LYS 9 10.048 -3.972 -23.097 56 HA LYS 9 HA LYS 9 9.250 -5.878 -23.911 57 1HB LYS 9 1HB LYS 9 12.064 -6.265 -24.215 58 2HB LYS 9 2HB LYS 9 11.381 -7.767 -23.624 59 1HG LYS 9 1HG LYS 9 9.739 -7.814 -25.441 60 2HG LYS 9 2HG LYS 9 10.195 -6.206 -25.965 61 1HD LYS 9 1HD LYS 9 12.464 -7.009 -26.564 62 2HD LYS 9 2HD LYS 9 12.088 -8.605 -25.949 63 1HE LYS 9 1HE LYS 9 9.984 -8.106 -27.739 64 2HE LYS 9 2HE LYS 9 11.363 -7.377 -28.537 65 1HZ LYS 9 2HZ LYS 9 11.773 -9.990 -27.378 66 2HZ LYS 9 3HZ LYS 9 10.831 -9.922 -28.710 67 3HZ LYS 9 1HZ LYS 9 12.364 -9.361 -28.764 68 H TYR 10 H TYR 10 11.547 -6.508 -21.169 69 HA TYR 10 HA TYR 10 9.262 -7.619 -19.709 70 1HB TYR 10 1HB TYR 10 11.654 -9.012 -18.973 71 2HB TYR 10 2HB TYR 10 10.321 -9.680 -19.896 72 HD1 TYR 10 HD1 TYR 10 13.565 -7.879 -20.226 73 HD2 TYR 10 HD2 TYR 10 10.576 -10.226 -22.192 74 HE1 TYR 10 HE1 TYR 10 15.088 -8.140 -22.245 75 HE2 TYR 10 HE2 TYR 10 12.108 -10.479 -24.202 76 HH TYR 10 HH TYR 10 15.426 -9.439 -24.085 77 H TYR 11 H TYR 11 9.007 -6.462 -17.871 78 HA TYR 11 HA TYR 11 11.459 -5.511 -16.555 79 1HB TYR 11 1HB TYR 11 9.016 -4.178 -17.611 80 2HB TYR 11 2HB TYR 11 9.235 -3.834 -15.906 81 HD1 TYR 11 HD1 TYR 11 9.553 -1.443 -16.433 82 HD2 TYR 11 HD2 TYR 11 12.204 -4.433 -17.962 83 HE1 TYR 11 HE1 TYR 11 11.254 0.353 -17.015 84 HE2 TYR 11 HE2 TYR 11 13.897 -2.626 -18.541 85 HH TYR 11 HH TYR 11 14.468 -0.424 -17.891 86 H THR 12 H THR 12 11.007 -4.931 -14.171 87 HA THR 12 HA THR 12 9.237 -7.013 -13.079 88 HB THR 12 HB THR 12 10.816 -7.088 -11.215 89 HG1 THR 12 HG1 THR 12 12.573 -5.440 -11.301 90 1HG2 THR 12 3HG2 THR 12 11.612 -7.834 -13.737 91 2HG2 THR 12 1HG2 THR 12 12.837 -6.594 -13.373 92 3HG2 THR 12 2HG2 THR 12 12.651 -8.002 -12.301 93 H LEU 13 H LEU 13 7.922 -6.554 -11.247 94 HA LEU 13 HA LEU 13 6.442 -4.300 -11.405 95 1HB LEU 13 1HB LEU 13 6.888 -6.423 -9.444 96 2HB LEU 13 2HB LEU 13 6.345 -4.923 -8.718 97 HG LEU 13 HG LEU 13 4.936 -6.659 -10.736 98 1HD1 LEU 13 2HD1 LEU 13 4.810 -6.502 -7.983 99 2HD1 LEU 13 3HD1 LEU 13 3.420 -5.523 -8.509 100 3HD1 LEU 13 1HD1 LEU 13 3.577 -7.210 -9.054 101 1HD2 LEU 13 1HD2 LEU 13 4.769 -3.731 -10.481 102 2HD2 LEU 13 2HD2 LEU 13 4.271 -4.805 -11.809 103 3HD2 LEU 13 3HD2 LEU 13 3.205 -4.578 -10.401 104 H GLU 14 H GLU 14 9.547 -4.772 -9.686 105 HA GLU 14 HA GLU 14 9.432 -2.369 -8.281 106 1HB GLU 14 1HB GLU 14 11.268 -4.558 -8.635 107 2HB GLU 14 2HB GLU 14 12.164 -3.071 -8.867 108 1HG GLU 14 1HG GLU 14 11.841 -2.359 -6.680 109 2HG GLU 14 2HG GLU 14 10.262 -3.106 -6.551 110 H GLU 15 H GLU 15 11.168 -3.285 -11.344 111 HA GLU 15 HA GLU 15 12.297 -0.900 -11.890 112 1HB GLU 15 1HB GLU 15 11.145 -3.053 -13.685 113 2HB GLU 15 2HB GLU 15 11.883 -1.625 -14.383 114 1HG GLU 15 1HG GLU 15 13.735 -2.404 -12.421 115 2HG GLU 15 2HG GLU 15 13.160 -3.933 -13.055 116 H ILE 16 H ILE 16 8.881 -1.879 -12.286 117 HA ILE 16 HA ILE 16 8.222 0.524 -13.721 118 HB ILE 16 HB ILE 16 6.344 -1.484 -12.492 119 1HG1 ILE 16 1HG1 ILE 16 6.991 -1.839 -15.333 120 2HG1 ILE 16 2HG1 ILE 16 8.352 -2.150 -14.273 121 1HG2 ILE 16 1HG2 ILE 16 5.961 0.913 -13.951 122 2HG2 ILE 16 2HG2 ILE 16 5.535 -0.435 -15.032 123 3HG2 ILE 16 3HG2 ILE 16 4.744 -0.283 -13.445 124 1HD1 ILE 16 2HD1 ILE 16 6.019 -3.327 -13.057 125 2HD1 ILE 16 3HD1 ILE 16 6.072 -3.825 -14.766 126 3HD1 ILE 16 1HD1 ILE 16 7.462 -4.147 -13.701 127 H GLN 17 H GLN 17 8.226 -0.698 -10.378 128 HA GLN 17 HA GLN 17 6.532 1.264 -9.354 129 1HB GLN 17 1HB GLN 17 7.549 -1.004 -8.347 130 2HB GLN 17 2HB GLN 17 8.742 0.091 -7.676 131 1HG GLN 17 1HG GLN 17 6.085 1.223 -7.307 132 2HG GLN 17 2HG GLN 17 6.101 -0.424 -6.707 133 1HE2 GLN 17 1HE2 GLN 17 5.872 0.337 -4.597 134 2HE2 GLN 17 2HE2 GLN 17 7.192 1.007 -3.695 135 H LYS 18 H LYS 18 9.915 1.260 -10.333 136 HA LYS 18 HA LYS 18 10.609 3.563 -8.779 137 1HB LYS 18 1HB LYS 18 12.072 2.242 -11.084 138 2HB LYS 18 2HB LYS 18 12.736 3.427 -9.977 139 1HG LYS 18 1HG LYS 18 11.522 0.831 -8.953 140 2HG LYS 18 2HG LYS 18 13.187 0.896 -9.499 141 1HD LYS 18 1HD LYS 18 12.030 2.746 -7.362 142 2HD LYS 18 2HD LYS 18 12.887 1.259 -7.002 143 1HE LYS 18 1HE LYS 18 14.929 2.201 -7.410 144 2HE LYS 18 2HE LYS 18 14.382 2.968 -8.887 145 1HZ LYS 18 2HZ LYS 18 13.176 4.192 -6.678 146 2HZ LYS 18 3HZ LYS 18 14.795 4.165 -6.461 147 3HZ LYS 18 1HZ LYS 18 14.161 4.853 -7.800 148 H HIS 19 H HIS 19 9.294 2.844 -12.001 149 HA HIS 19 HA HIS 19 9.651 5.617 -12.778 150 1HB HIS 19 1HB HIS 19 8.922 3.075 -14.194 151 2HB HIS 19 2HB HIS 19 8.437 4.605 -14.897 152 HD1 HIS 19 HD1 HIS 19 10.052 4.541 -16.885 153 HD2 HIS 19 HD2 HIS 19 11.969 4.178 -13.172 154 HE1 HIS 19 HE1 HIS 19 12.552 4.759 -17.347 155 HE2 HIS 19 HE2 HIS 19 13.674 4.582 -15.022 156 H ASN 20 H ASN 20 8.222 6.803 -11.490 157 HA ASN 20 HA ASN 20 5.449 6.328 -12.155 158 1HB ASN 20 1HB ASN 20 5.661 5.227 -9.977 159 2HB ASN 20 2HB ASN 20 6.574 6.569 -9.320 160 1HD2 ASN 20 1HD2 ASN 20 3.890 7.066 -11.489 161 2HD2 ASN 20 2HD2 ASN 20 2.758 7.710 -10.346 162 H ASN 21 H ASN 21 7.726 8.282 -12.788 163 HA ASN 21 HA ASN 21 6.603 10.672 -11.566 164 1HB ASN 21 1HB ASN 21 9.323 9.825 -12.332 165 2HB ASN 21 2HB ASN 21 8.927 11.386 -13.024 166 1HD2 ASN 21 1HD2 ASN 21 10.282 9.919 -10.463 167 2HD2 ASN 21 2HD2 ASN 21 10.053 11.097 -9.214 168 H SER 22 H SER 22 6.561 12.646 -13.136 169 HA SER 22 HA SER 22 5.081 11.979 -15.373 170 1HB SER 22 1HB SER 22 5.098 14.351 -15.873 171 2HB SER 22 2HB SER 22 5.005 14.165 -14.132 172 HG SER 22 HG SER 22 6.729 15.422 -14.055 173 H LYS 23 H LYS 23 8.475 11.877 -14.813 174 HA LYS 23 HA LYS 23 9.087 12.243 -17.648 175 1HB LYS 23 1HB LYS 23 10.444 12.862 -15.201 176 2HB LYS 23 2HB LYS 23 11.414 11.699 -16.084 177 1HG LYS 23 1HG LYS 23 11.191 13.141 -18.150 178 2HG LYS 23 2HG LYS 23 10.315 14.323 -17.198 179 1HD LYS 23 1HD LYS 23 12.299 14.531 -15.666 180 2HD LYS 23 2HD LYS 23 13.175 13.389 -16.667 181 1HE LYS 23 1HE LYS 23 13.674 14.980 -18.222 182 2HE LYS 23 2HE LYS 23 12.018 15.547 -18.292 183 1HZ LYS 23 3HZ LYS 23 12.594 16.580 -16.035 184 2HZ LYS 23 1HZ LYS 23 14.150 16.396 -16.499 185 3HZ LYS 23 2HZ LYS 23 13.132 17.308 -17.394 186 H SER 24 H SER 24 8.551 9.834 -15.170 187 HA SER 24 HA SER 24 9.198 7.829 -17.153 188 1HB SER 24 1HB SER 24 10.691 8.283 -14.685 189 2HB SER 24 2HB SER 24 9.966 6.688 -14.670 190 HG SER 24 HG SER 24 12.049 7.694 -16.249 191 H THR 25 H THR 25 6.764 7.971 -17.258 192 HA THR 25 HA THR 25 5.418 6.870 -14.907 193 HB THR 25 HB THR 25 3.789 7.536 -17.272 194 HG1 THR 25 HG1 THR 25 5.801 9.302 -16.100 195 1HG2 THR 25 2HG2 THR 25 3.572 7.701 -14.460 196 2HG2 THR 25 3HG2 THR 25 3.711 9.395 -14.989 197 3HG2 THR 25 1HG2 THR 25 2.413 8.362 -15.638 198 H TRP 26 H TRP 26 5.813 4.707 -14.781 199 HA TRP 26 HA TRP 26 5.080 3.178 -17.186 200 1HB TRP 26 1HB TRP 26 7.409 2.992 -15.386 201 2HB TRP 26 2HB TRP 26 6.626 1.464 -15.740 202 HD1 TRP 26 HD1 TRP 26 7.465 0.334 -17.943 203 HE1 TRP 26 HE1 TRP 26 8.738 1.012 -20.152 204 HE3 TRP 26 HE3 TRP 26 7.603 5.321 -16.957 205 HZ2 TRP 26 HZ2 TRP 26 9.640 3.503 -21.216 206 HZ3 TRP 26 HZ3 TRP 26 8.697 6.806 -18.634 207 HH2 TRP 26 HH2 TRP 26 9.693 5.971 -20.703 208 H LEU 27 H LEU 27 3.709 1.356 -16.829 209 HA LEU 27 HA LEU 27 2.949 0.700 -14.137 210 1HB LEU 27 1HB LEU 27 0.790 1.447 -14.107 211 2HB LEU 27 2HB LEU 27 1.632 2.787 -14.861 212 HG LEU 27 HG LEU 27 -0.240 2.626 -16.180 213 1HD1 LEU 27 3HD1 LEU 27 2.049 2.165 -17.418 214 2HD1 LEU 27 1HD1 LEU 27 1.265 0.612 -17.796 215 3HD1 LEU 27 2HD1 LEU 27 0.496 2.140 -18.289 216 1HD2 LEU 27 3HD2 LEU 27 -0.697 0.251 -14.984 217 2HD2 LEU 27 1HD2 LEU 27 -1.626 0.857 -16.376 218 3HD2 LEU 27 2HD2 LEU 27 -0.298 -0.302 -16.628 219 H ILE 28 H ILE 28 1.082 -1.053 -14.299 220 HA ILE 28 HA ILE 28 1.786 -2.738 -16.598 221 HB ILE 28 HB ILE 28 0.667 -3.998 -14.183 222 1HG1 ILE 28 1HG1 ILE 28 2.255 -2.127 -13.377 223 2HG1 ILE 28 2HG1 ILE 28 2.472 -3.750 -12.748 224 1HG2 ILE 28 2HG2 ILE 28 2.952 -4.604 -16.076 225 2HG2 ILE 28 3HG2 ILE 28 2.491 -5.628 -14.694 226 3HG2 ILE 28 1HG2 ILE 28 1.344 -5.366 -16.028 227 1HD1 ILE 28 2HD1 ILE 28 3.969 -3.096 -15.263 228 2HD1 ILE 28 3HD1 ILE 28 4.518 -2.300 -13.767 229 3HD1 ILE 28 1HD1 ILE 28 4.469 -4.077 -13.863 230 H LEU 29 H LEU 29 0.146 -3.664 -17.819 231 HA LEU 29 HA LEU 29 -2.585 -3.135 -16.919 232 1HB LEU 29 1HB LEU 29 -1.276 -1.656 -18.908 233 2HB LEU 29 2HB LEU 29 -2.311 -2.771 -19.774 234 HG LEU 29 HG LEU 29 -3.052 -0.554 -17.898 235 1HD1 LEU 29 2HD1 LEU 29 -4.118 -1.468 -20.584 236 2HD1 LEU 29 3HD1 LEU 29 -4.690 -0.055 -19.665 237 3HD1 LEU 29 1HD1 LEU 29 -3.021 -0.099 -20.283 238 1HD2 LEU 29 3HD2 LEU 29 -4.309 -3.180 -17.918 239 2HD2 LEU 29 1HD2 LEU 29 -4.556 -1.795 -16.826 240 3HD2 LEU 29 2HD2 LEU 29 -5.445 -1.885 -18.366 241 H HIS 30 H HIS 30 -3.602 -5.056 -16.794 242 HA HIS 30 HA HIS 30 -4.349 -7.042 -17.380 243 1HB HIS 30 1HB HIS 30 -2.788 -6.857 -19.964 244 2HB HIS 30 2HB HIS 30 -4.149 -7.903 -19.616 245 HD1 HIS 30 HD1 HIS 30 -3.281 -4.366 -20.539 246 HD2 HIS 30 HD2 HIS 30 -6.700 -6.650 -19.699 247 HE1 HIS 30 HE1 HIS 30 -5.280 -2.962 -21.278 248 HE2 HIS 30 HE2 HIS 30 -7.348 -4.439 -20.786 249 H TYR 31 H TYR 31 -0.928 -6.723 -18.574 250 HA TYR 31 HA TYR 31 0.178 -8.218 -16.518 251 1HB TYR 31 1HB TYR 31 0.579 -10.344 -17.907 252 2HB TYR 31 2HB TYR 31 -1.103 -10.110 -17.478 253 HD1 TYR 31 HD1 TYR 31 1.319 -10.232 -20.207 254 HD2 TYR 31 HD2 TYR 31 -2.743 -9.355 -19.190 255 HE1 TYR 31 HE1 TYR 31 0.668 -10.362 -22.661 256 HE2 TYR 31 HE2 TYR 31 -3.381 -9.487 -21.647 257 HH TYR 31 HH TYR 31 -2.652 -10.361 -23.647 258 H LYS 32 H LYS 32 0.277 -6.177 -19.075 259 HA LYS 32 HA LYS 32 3.096 -6.774 -19.641 260 1HB LYS 32 1HB LYS 32 1.020 -5.366 -21.344 261 2HB LYS 32 2HB LYS 32 2.727 -5.454 -21.734 262 1HG LYS 32 1HG LYS 32 2.660 -7.755 -22.176 263 2HG LYS 32 2HG LYS 32 1.309 -8.036 -21.093 264 1HD LYS 32 1HD LYS 32 -0.075 -7.987 -22.885 265 2HD LYS 32 2HD LYS 32 0.284 -6.279 -23.064 266 1HE LYS 32 1HE LYS 32 2.153 -6.752 -24.568 267 2HE LYS 32 2HE LYS 32 2.048 -8.472 -24.249 268 1HZ LYS 32 2HZ LYS 32 -0.430 -7.863 -25.067 269 2HZ LYS 32 3HZ LYS 32 0.476 -6.872 -25.998 270 3HZ LYS 32 1HZ LYS 32 0.742 -8.483 -26.022 271 H VAL 33 H VAL 33 4.101 -4.440 -20.486 272 HA VAL 33 HA VAL 33 3.486 -2.581 -18.293 273 HB VAL 33 HB VAL 33 6.143 -3.291 -19.547 274 1HG1 VAL 33 2HG1 VAL 33 5.320 -0.845 -18.340 275 2HG1 VAL 33 3HG1 VAL 33 6.407 -1.671 -17.198 276 3HG1 VAL 33 1HG1 VAL 33 6.952 -1.331 -18.857 277 1HG2 VAL 33 3HG2 VAL 33 4.860 -3.896 -16.883 278 2HG2 VAL 33 1HG2 VAL 33 5.654 -5.003 -18.028 279 3HG2 VAL 33 2HG2 VAL 33 6.631 -3.865 -17.070 280 H TYR 34 H TYR 34 2.875 -0.561 -18.904 281 HA TYR 34 HA TYR 34 3.396 0.160 -21.711 282 1HB TYR 34 1HB TYR 34 1.136 1.005 -19.795 283 2HB TYR 34 2HB TYR 34 1.196 1.342 -21.514 284 HD1 TYR 34 HD1 TYR 34 -0.106 0.022 -22.903 285 HD2 TYR 34 HD2 TYR 34 1.310 -1.637 -19.222 286 HE1 TYR 34 HE1 TYR 34 -1.398 -2.120 -23.363 287 HE2 TYR 34 HE2 TYR 34 0.013 -3.773 -19.695 288 HH TYR 34 HH TYR 34 -1.244 -4.843 -21.081 289 H ASP 35 H ASP 35 3.979 2.332 -22.168 290 HA ASP 35 HA ASP 35 5.224 3.603 -19.922 291 1HB ASP 35 1HB ASP 35 6.044 3.314 -22.462 292 2HB ASP 35 2HB ASP 35 5.138 4.796 -22.699 293 H LEU 36 H LEU 36 3.462 4.532 -18.710 294 HA LEU 36 HA LEU 36 1.266 5.797 -19.829 295 1HB LEU 36 1HB LEU 36 2.624 5.908 -17.156 296 2HB LEU 36 2HB LEU 36 1.274 6.970 -17.508 297 HG LEU 36 HG LEU 36 1.322 3.988 -17.207 298 1HD1 LEU 36 3HD1 LEU 36 0.290 6.245 -15.760 299 2HD1 LEU 36 1HD1 LEU 36 -1.050 5.168 -16.224 300 3HD1 LEU 36 2HD1 LEU 36 0.329 4.526 -15.299 301 1HD2 LEU 36 3HD2 LEU 36 -0.514 5.545 -18.999 302 2HD2 LEU 36 1HD2 LEU 36 0.243 3.953 -19.246 303 3HD2 LEU 36 2HD2 LEU 36 -1.120 4.125 -18.115 304 H THR 37 H THR 37 4.587 6.920 -19.214 305 HA THR 37 HA THR 37 4.259 9.637 -19.266 306 HB THR 37 HB THR 37 6.366 7.633 -19.914 307 HG1 THR 37 HG1 THR 37 7.435 9.513 -18.646 308 1HG2 THR 37 2HG2 THR 37 6.303 10.409 -21.159 309 2HG2 THR 37 3HG2 THR 37 7.845 9.706 -20.613 310 3HG2 THR 37 1HG2 THR 37 6.889 8.888 -21.871 311 H LYS 38 H LYS 38 4.021 7.324 -21.975 312 HA LYS 38 HA LYS 38 3.971 9.401 -23.933 313 1HB LYS 38 1HB LYS 38 3.781 6.441 -23.874 314 2HB LYS 38 2HB LYS 38 2.954 7.230 -25.202 315 1HG LYS 38 1HG LYS 38 5.499 8.534 -24.902 316 2HG LYS 38 2HG LYS 38 5.798 6.809 -24.840 317 1HD LYS 38 1HD LYS 38 3.972 6.996 -26.931 318 2HD LYS 38 2HD LYS 38 4.881 8.485 -27.112 319 1HE LYS 38 1HE LYS 38 6.517 7.285 -28.131 320 2HE LYS 38 2HE LYS 38 6.851 6.525 -26.588 321 1HZ LYS 38 2HZ LYS 38 4.878 5.571 -28.545 322 2HZ LYS 38 3HZ LYS 38 6.350 4.914 -28.283 323 3HZ LYS 38 1HZ LYS 38 5.211 4.856 -27.115 324 H PHE 39 H PHE 39 1.592 7.543 -22.010 325 HA PHE 39 HA PHE 39 -0.523 9.095 -23.324 326 1HB PHE 39 1HB PHE 39 -0.485 6.494 -23.282 327 2HB PHE 39 2HB PHE 39 -0.650 6.592 -21.540 328 HD1 PHE 39 HD1 PHE 39 -2.765 5.923 -20.927 329 HD2 PHE 39 HD2 PHE 39 -2.335 8.407 -24.341 330 HE1 PHE 39 HE1 PHE 39 -5.262 6.021 -21.170 331 HE2 PHE 39 HE2 PHE 39 -4.831 8.507 -24.583 332 HZ PHE 39 HZ PHE 39 -6.265 7.312 -22.995 333 H LEU 40 H LEU 40 0.938 10.593 -21.551 334 HA LEU 40 HA LEU 40 -0.347 10.376 -18.957 335 1HB LEU 40 1HB LEU 40 2.076 11.613 -20.067 336 2HB LEU 40 2HB LEU 40 1.243 12.605 -18.887 337 HG LEU 40 HG LEU 40 2.450 9.865 -18.513 338 1HD1 LEU 40 2HD1 LEU 40 3.365 12.484 -18.045 339 2HD1 LEU 40 3HD1 LEU 40 2.987 11.801 -16.446 340 3HD1 LEU 40 1HD1 LEU 40 4.114 10.954 -17.531 341 1HD2 LEU 40 2HD2 LEU 40 0.140 11.032 -17.112 342 2HD2 LEU 40 3HD2 LEU 40 0.708 9.347 -17.201 343 3HD2 LEU 40 1HD2 LEU 40 1.451 10.477 -16.044 344 H GLU 41 H GLU 41 0.326 13.177 -21.172 345 HA GLU 41 HA GLU 41 -1.494 14.860 -20.205 346 1HB GLU 41 1HB GLU 41 -1.616 15.833 -22.538 347 2HB GLU 41 2HB GLU 41 0.012 15.545 -21.958 348 1HG GLU 41 1HG GLU 41 -0.174 13.223 -23.148 349 2HG GLU 41 2HG GLU 41 -1.574 13.894 -23.961 350 H GLU 42 H GLU 42 -2.130 12.424 -22.830 351 HA GLU 42 HA GLU 42 -4.741 13.006 -23.252 352 1HB GLU 42 1HB GLU 42 -2.971 10.670 -23.642 353 2HB GLU 42 2HB GLU 42 -4.659 10.228 -23.485 354 1HG GLU 42 1HG GLU 42 -4.155 12.589 -25.237 355 2HG GLU 42 2HG GLU 42 -3.481 11.085 -25.831 356 H HIS 43 H HIS 43 -6.474 10.961 -22.710 357 HA HIS 43 HA HIS 43 -7.513 9.766 -21.114 358 1HB HIS 43 1HB HIS 43 -5.157 9.820 -19.904 359 2HB HIS 43 2HB HIS 43 -5.955 10.977 -18.858 360 HD1 HIS 43 HD1 HIS 43 -7.955 10.101 -17.379 361 HD2 HIS 43 HD2 HIS 43 -5.985 7.146 -19.611 362 HE1 HIS 43 HE1 HIS 43 -8.705 7.859 -16.417 363 HE2 HIS 43 HE2 HIS 43 -7.506 6.082 -17.864 364 HA PRO 44 HA PRO 44 -10.248 13.025 -20.264 365 1HB PRO 44 1HB PRO 44 -12.345 11.586 -19.263 366 2HB PRO 44 2HB PRO 44 -12.051 11.782 -20.979 367 1HG PRO 44 1HG PRO 44 -11.574 9.413 -19.275 368 2HG PRO 44 2HG PRO 44 -11.693 9.504 -21.021 369 1HD PRO 44 1HD PRO 44 -9.291 9.246 -19.476 370 2HD PRO 44 2HD PRO 44 -9.403 9.453 -21.212 371 H GLY 45 H GLY 45 -8.222 13.106 -18.535 372 1HA GLY 45 2HA GLY 45 -8.688 12.570 -15.896 373 2HA GLY 45 1HA GLY 45 -9.564 14.060 -16.185 374 H GLY 46 H GLY 46 -6.435 12.789 -17.532 375 1HA GLY 46 2HA GLY 46 -5.001 14.954 -16.175 376 2HA GLY 46 1HA GLY 46 -4.978 14.927 -17.929 377 H GLU 47 H GLU 47 -2.626 14.644 -16.303 378 HA GLU 47 HA GLU 47 -1.711 12.174 -17.384 379 1HB GLU 47 1HB GLU 47 -0.187 14.145 -15.631 380 2HB GLU 47 2HB GLU 47 0.502 12.932 -16.691 381 1HG GLU 47 1HG GLU 47 0.297 14.265 -18.528 382 2HG GLU 47 2HG GLU 47 -1.365 14.670 -18.148 383 H GLU 48 H GLU 48 -2.159 13.633 -14.102 384 HA GLU 48 HA GLU 48 -1.062 11.758 -12.556 385 1HB GLU 48 1HB GLU 48 -2.994 13.838 -12.249 386 2HB GLU 48 2HB GLU 48 -3.653 12.434 -11.434 387 1HG GLU 48 1HG GLU 48 -1.772 12.243 -9.970 388 2HG GLU 48 2HG GLU 48 -0.759 13.241 -10.993 389 H VAL 49 H VAL 49 -4.473 11.666 -13.816 390 HA VAL 49 HA VAL 49 -5.455 9.448 -12.776 391 HB VAL 49 HB VAL 49 -6.442 10.905 -14.546 392 1HG1 VAL 49 1HG1 VAL 49 -4.309 10.343 -16.067 393 2HG1 VAL 49 2HG1 VAL 49 -5.413 9.086 -16.675 394 3HG1 VAL 49 3HG1 VAL 49 -5.884 10.800 -16.757 395 1HG2 VAL 49 3HG2 VAL 49 -7.351 8.633 -13.743 396 2HG2 VAL 49 1HG2 VAL 49 -7.986 9.288 -15.271 397 3HG2 VAL 49 2HG2 VAL 49 -6.762 7.997 -15.298 398 H LEU 50 H LEU 50 -2.740 9.602 -15.089 399 HA LEU 50 HA LEU 50 -2.618 6.680 -15.078 400 1HB LEU 50 1HB LEU 50 -1.171 8.721 -16.774 401 2HB LEU 50 2HB LEU 50 -0.996 6.983 -16.905 402 HG LEU 50 HG LEU 50 -3.778 7.556 -17.103 403 1HD1 LEU 50 3HD1 LEU 50 -2.043 9.585 -18.397 404 2HD1 LEU 50 1HD1 LEU 50 -3.355 8.906 -19.389 405 3HD1 LEU 50 2HD1 LEU 50 -3.729 9.693 -17.838 406 1HD2 LEU 50 2HD2 LEU 50 -2.327 5.692 -18.102 407 2HD2 LEU 50 3HD2 LEU 50 -3.645 6.351 -19.104 408 3HD2 LEU 50 1HD2 LEU 50 -1.962 6.851 -19.405 409 H ARG 51 H ARG 51 -0.911 9.661 -14.081 410 HA ARG 51 HA ARG 51 1.453 8.376 -13.379 411 1HB ARG 51 1HB ARG 51 0.697 10.977 -13.592 412 2HB ARG 51 2HB ARG 51 0.556 10.815 -11.853 413 1HG ARG 51 1HG ARG 51 3.024 9.559 -12.578 414 2HG ARG 51 2HG ARG 51 2.962 11.067 -13.467 415 1HD ARG 51 1HD ARG 51 2.053 11.392 -10.676 416 2HD ARG 51 2HD ARG 51 3.688 10.766 -10.766 417 HE ARG 51 HE ARG 51 3.537 12.885 -12.640 418 1HH1 ARG 51 2HH1 ARG 51 4.283 14.989 -12.151 419 2HH1 ARG 51 1HH1 ARG 51 4.414 15.500 -10.502 420 1HH2 ARG 51 2HH2 ARG 51 3.270 12.452 -9.157 421 2HH2 ARG 51 1HH2 ARG 51 3.834 14.048 -8.787 422 H GLU 52 H GLU 52 -1.579 9.180 -11.599 423 HA GLU 52 HA GLU 52 -0.660 8.502 -9.080 424 1HB GLU 52 1HB GLU 52 -2.994 8.505 -8.426 425 2HB GLU 52 2HB GLU 52 -2.768 9.772 -9.615 426 1HG GLU 52 1HG GLU 52 -3.771 8.457 -11.369 427 2HG GLU 52 2HG GLU 52 -3.669 6.980 -10.431 428 H GLN 53 H GLN 53 -1.242 6.544 -11.853 429 HA GLN 53 HA GLN 53 -1.591 4.201 -10.162 430 1HB GLN 53 1HB GLN 53 -2.279 3.058 -12.306 431 2HB GLN 53 2HB GLN 53 -3.338 4.368 -11.825 432 1HG GLN 53 1HG GLN 53 -2.123 5.911 -13.392 433 2HG GLN 53 2HG GLN 53 -1.096 4.582 -13.888 434 1HE2 GLN 53 1HE2 GLN 53 -4.292 5.956 -13.952 435 2HE2 GLN 53 2HE2 GLN 53 -4.963 4.980 -15.216 436 H ALA 54 H ALA 54 0.590 5.931 -12.291 437 HA ALA 54 HA ALA 54 2.176 3.805 -13.164 438 1HB ALA 54 1HB ALA 54 2.512 6.776 -12.791 439 2HB ALA 54 2HB ALA 54 3.928 5.779 -13.202 440 3HB ALA 54 3HB ALA 54 2.518 5.816 -14.288 441 H GLY 55 H GLY 55 3.815 2.630 -12.220 442 1HA GLY 55 2HA GLY 55 4.548 3.393 -9.457 443 2HA GLY 55 1HA GLY 55 5.644 2.655 -10.609 444 H GLY 56 H GLY 56 3.124 1.015 -11.600 445 1HA GLY 56 2HA GLY 56 2.537 -0.713 -9.376 446 2HA GLY 56 1HA GLY 56 3.694 -1.404 -10.496 447 H ASP 57 H ASP 57 1.389 -2.788 -10.301 448 HA ASP 57 HA ASP 57 0.405 -2.658 -12.908 449 1HB ASP 57 1HB ASP 57 0.057 -4.801 -12.220 450 2HB ASP 57 2HB ASP 57 0.112 -4.344 -10.528 451 H ALA 58 H ALA 58 -1.150 -1.210 -13.651 452 HA ALA 58 HA ALA 58 -2.856 0.084 -11.673 453 1HB ALA 58 3HB ALA 58 -1.445 1.329 -13.418 454 2HB ALA 58 1HB ALA 58 -2.596 0.718 -14.629 455 3HB ALA 58 2HB ALA 58 -3.164 1.778 -13.317 456 H THR 59 H THR 59 -2.849 -2.412 -14.118 457 HA THR 59 HA THR 59 -5.386 -2.361 -15.119 458 HB THR 59 HB THR 59 -3.202 -4.070 -15.142 459 HG1 THR 59 HG1 THR 59 -6.016 -4.550 -15.839 460 1HG2 THR 59 2HG2 THR 59 -5.577 -5.500 -13.836 461 2HG2 THR 59 3HG2 THR 59 -4.178 -6.314 -14.575 462 3HG2 THR 59 1HG2 THR 59 -3.958 -5.311 -13.120 463 H GLU 60 H GLU 60 -4.346 -3.706 -11.928 464 HA GLU 60 HA GLU 60 -6.647 -4.811 -11.137 465 1HB GLU 60 1HB GLU 60 -4.273 -3.778 -9.879 466 2HB GLU 60 2HB GLU 60 -5.643 -3.296 -8.899 467 1HG GLU 60 1HG GLU 60 -6.049 -6.037 -9.738 468 2HG GLU 60 2HG GLU 60 -4.426 -5.896 -9.092 469 H ASN 61 H ASN 61 -5.900 -1.328 -11.400 470 HA ASN 61 HA ASN 61 -8.429 -0.687 -10.173 471 1HB ASN 61 1HB ASN 61 -5.907 0.610 -10.355 472 2HB ASN 61 2HB ASN 61 -6.961 1.567 -11.376 473 1HD2 ASN 61 1HD2 ASN 61 -6.073 0.700 -8.203 474 2HD2 ASN 61 2HD2 ASN 61 -7.227 1.639 -7.316 475 H PHE 62 H PHE 62 -6.559 -0.137 -13.251 476 HA PHE 62 HA PHE 62 -8.429 1.211 -14.694 477 1HB PHE 62 1HB PHE 62 -6.515 0.925 -15.981 478 2HB PHE 62 2HB PHE 62 -6.060 -0.508 -15.079 479 HD1 PHE 62 HD1 PHE 62 -7.275 -2.708 -15.700 480 HD2 PHE 62 HD2 PHE 62 -7.238 0.731 -18.186 481 HE1 PHE 62 HE1 PHE 62 -7.845 -4.135 -17.684 482 HE2 PHE 62 HE2 PHE 62 -7.809 -0.697 -20.170 483 HZ PHE 62 HZ PHE 62 -8.105 -3.112 -19.895 484 H GLU 63 H GLU 63 -8.555 -2.102 -13.570 485 HA GLU 63 HA GLU 63 -10.436 -2.870 -15.590 486 1HB GLU 63 1HB GLU 63 -8.892 -4.203 -13.436 487 2HB GLU 63 2HB GLU 63 -10.500 -4.862 -13.663 488 1HG GLU 63 1HG GLU 63 -9.213 -4.369 -16.249 489 2HG GLU 63 2HG GLU 63 -8.200 -5.384 -15.241 490 H ASP 64 H ASP 64 -10.380 -1.788 -12.186 491 HA ASP 64 HA ASP 64 -12.997 -2.520 -11.591 492 1HB ASP 64 1HB ASP 64 -11.734 -1.993 -9.696 493 2HB ASP 64 2HB ASP 64 -10.939 -0.638 -10.471 494 H VAL 65 H VAL 65 -11.523 0.093 -13.440 495 HA VAL 65 HA VAL 65 -13.910 1.744 -13.292 496 HB VAL 65 HB VAL 65 -12.433 3.363 -13.523 497 1HG1 VAL 65 2HG1 VAL 65 -10.833 1.714 -12.518 498 2HG1 VAL 65 3HG1 VAL 65 -10.273 1.328 -14.162 499 3HG1 VAL 65 1HG1 VAL 65 -10.057 2.971 -13.511 500 1HG2 VAL 65 3HG2 VAL 65 -11.812 2.034 -16.176 501 2HG2 VAL 65 1HG2 VAL 65 -12.887 3.419 -15.863 502 3HG2 VAL 65 2HG2 VAL 65 -11.126 3.601 -15.679 503 H GLY 66 H GLY 66 -13.182 -1.064 -14.792 504 1HA GLY 66 2HA GLY 66 -15.180 -1.176 -16.575 505 2HA GLY 66 1HA GLY 66 -13.659 -2.017 -16.795 506 H HIS 67 H HIS 67 -11.819 -0.729 -17.846 507 HA HIS 67 HA HIS 67 -12.457 1.612 -19.269 508 1HB HIS 67 1HB HIS 67 -10.174 -0.335 -19.236 509 2HB HIS 67 2HB HIS 67 -10.276 0.834 -20.537 510 HD1 HIS 67 HD1 HIS 67 -10.209 0.776 -16.708 511 HD2 HIS 67 HD2 HIS 67 -9.257 3.305 -19.916 512 HE1 HIS 67 HE1 HIS 67 -9.063 2.818 -15.694 513 HE2 HIS 67 HE2 HIS 67 -8.451 4.310 -17.718 514 H SER 68 H SER 68 -11.772 1.442 -21.856 515 HA SER 68 HA SER 68 -13.761 -0.422 -22.871 516 1HB SER 68 1HB SER 68 -14.266 1.120 -24.550 517 2HB SER 68 2HB SER 68 -13.849 2.187 -23.223 518 HG SER 68 HG SER 68 -12.753 2.880 -25.112 519 H THR 69 H THR 69 -13.272 -1.714 -24.769 520 HA THR 69 HA THR 69 -10.757 -2.840 -24.828 521 HB THR 69 HB THR 69 -13.087 -2.695 -26.789 522 HG1 THR 69 HG1 THR 69 -13.116 -4.962 -25.941 523 1HG2 THR 69 2HG2 THR 69 -10.616 -3.245 -27.771 524 2HG2 THR 69 3HG2 THR 69 -10.962 -4.819 -27.014 525 3HG2 THR 69 1HG2 THR 69 -12.049 -4.177 -28.268 526 H ASP 70 H ASP 70 -11.848 0.188 -26.211 527 HA ASP 70 HA ASP 70 -9.870 0.306 -28.198 528 1HB ASP 70 1HB ASP 70 -11.980 1.679 -28.153 529 2HB ASP 70 2HB ASP 70 -11.361 2.558 -26.771 530 H ALA 71 H ALA 71 -10.262 1.615 -24.835 531 HA ALA 71 HA ALA 71 -7.893 3.072 -24.743 532 1HB ALA 71 1HB ALA 71 -8.225 2.920 -22.281 533 2HB ALA 71 2HB ALA 71 -9.728 3.330 -23.141 534 3HB ALA 71 3HB ALA 71 -9.469 1.674 -22.544 535 H ARG 72 H ARG 72 -8.641 -0.378 -24.000 536 HA ARG 72 HA ARG 72 -6.152 -0.966 -22.955 537 1HB ARG 72 1HB ARG 72 -7.967 -2.873 -24.509 538 2HB ARG 72 2HB ARG 72 -6.788 -3.319 -23.291 539 1HG ARG 72 1HG ARG 72 -8.084 -2.036 -21.572 540 2HG ARG 72 2HG ARG 72 -9.266 -1.602 -22.791 541 1HD ARG 72 1HD ARG 72 -9.918 -3.937 -23.104 542 2HD ARG 72 2HD ARG 72 -8.581 -4.503 -22.123 543 HE ARG 72 HE ARG 72 -10.388 -2.655 -20.722 544 1HH1 ARG 72 2HH1 ARG 72 -11.575 -3.486 -18.954 545 2HH1 ARG 72 1HH1 ARG 72 -11.679 -5.197 -18.710 546 1HH2 ARG 72 2HH2 ARG 72 -9.711 -6.015 -21.515 547 2HH2 ARG 72 1HH2 ARG 72 -10.611 -6.646 -20.177 548 H GLU 73 H GLU 73 -7.471 -1.016 -26.309 549 HA GLU 73 HA GLU 73 -5.200 -2.249 -27.412 550 1HB GLU 73 1HB GLU 73 -7.637 -0.834 -28.473 551 2HB GLU 73 2HB GLU 73 -6.292 -1.073 -29.568 552 1HG GLU 73 1HG GLU 73 -6.314 -3.516 -29.101 553 2HG GLU 73 2HG GLU 73 -7.615 -3.299 -27.946 554 H LEU 74 H LEU 74 -6.230 1.139 -26.841 555 HA LEU 74 HA LEU 74 -4.299 2.376 -28.425 556 1HB LEU 74 1HB LEU 74 -5.429 4.150 -27.789 557 2HB LEU 74 2HB LEU 74 -6.397 3.121 -26.750 558 HG LEU 74 HG LEU 74 -4.193 3.575 -25.173 559 1HD1 LEU 74 1HD1 LEU 74 -4.607 5.971 -26.953 560 2HD1 LEU 74 2HD1 LEU 74 -3.997 6.140 -25.289 561 3HD1 LEU 74 3HD1 LEU 74 -3.092 5.168 -26.474 562 1HD2 LEU 74 2HD2 LEU 74 -6.944 4.704 -25.359 563 2HD2 LEU 74 3HD2 LEU 74 -6.170 3.757 -24.065 564 3HD2 LEU 74 1HD2 LEU 74 -5.799 5.489 -24.245 565 H SER 75 H SER 75 -4.235 1.144 -25.046 566 HA SER 75 HA SER 75 -1.787 2.256 -24.392 567 1HB SER 75 1HB SER 75 -2.256 -0.358 -23.141 568 2HB SER 75 2HB SER 75 -2.168 1.229 -22.402 569 HG SER 75 HG SER 75 -4.450 -0.091 -23.559 570 H LYS 76 H LYS 76 -2.707 -0.553 -26.333 571 HA LYS 76 HA LYS 76 -0.358 -2.032 -26.142 572 1HB LYS 76 1HB LYS 76 -1.395 -3.388 -27.593 573 2HB LYS 76 2HB LYS 76 -2.779 -2.340 -27.357 574 1HG LYS 76 1HG LYS 76 -1.991 -0.926 -29.301 575 2HG LYS 76 2HG LYS 76 -0.689 -2.069 -29.567 576 1HD LYS 76 1HD LYS 76 -2.590 -3.881 -29.668 577 2HD LYS 76 2HD LYS 76 -3.676 -2.522 -29.876 578 1HE LYS 76 1HE LYS 76 -2.835 -1.981 -31.986 579 2HE LYS 76 2HE LYS 76 -1.226 -2.572 -31.619 580 1HZ LYS 76 2HZ LYS 76 -2.205 -4.829 -31.647 581 2HZ LYS 76 3HZ LYS 76 -3.601 -4.192 -32.207 582 3HZ LYS 76 1HZ LYS 76 -2.236 -4.075 -33.095 583 H THR 77 H THR 77 -1.165 0.953 -27.878 584 HA THR 77 HA THR 77 1.151 0.809 -29.577 585 HB THR 77 HB THR 77 -1.162 1.941 -30.017 586 HG1 THR 77 HG1 THR 77 0.053 3.306 -31.390 587 1HG2 THR 77 2HG2 THR 77 -0.347 3.467 -27.737 588 2HG2 THR 77 3HG2 THR 77 -0.124 4.524 -29.150 589 3HG2 THR 77 1HG2 THR 77 -1.719 3.806 -28.819 590 H PHE 78 H PHE 78 0.594 1.559 -26.277 591 HA PHE 78 HA PHE 78 2.992 3.244 -26.235 592 1HB PHE 78 1HB PHE 78 0.625 2.723 -24.349 593 2HB PHE 78 2HB PHE 78 2.038 3.608 -23.809 594 HD1 PHE 78 HD1 PHE 78 2.648 5.261 -26.179 595 HD2 PHE 78 HD2 PHE 78 -1.082 4.299 -24.398 596 HE1 PHE 78 HE1 PHE 78 1.666 7.383 -27.089 597 HE2 PHE 78 HE2 PHE 78 -2.064 6.422 -25.309 598 HZ PHE 78 HZ PHE 78 -0.678 7.939 -26.642 599 H ILE 79 H ILE 79 1.941 0.041 -25.802 600 HA ILE 79 HA ILE 79 3.250 -0.718 -23.471 601 HB ILE 79 HB ILE 79 2.227 -2.053 -25.916 602 1HG1 ILE 79 1HG1 ILE 79 1.750 -2.162 -22.946 603 2HG1 ILE 79 2HG1 ILE 79 0.623 -1.788 -24.238 604 1HG2 ILE 79 2HG2 ILE 79 4.618 -2.953 -25.209 605 2HG2 ILE 79 3HG2 ILE 79 3.664 -3.796 -23.965 606 3HG2 ILE 79 1HG2 ILE 79 3.303 -4.051 -25.689 607 1HD1 ILE 79 1HD1 ILE 79 1.725 -4.443 -24.671 608 2HD1 ILE 79 2HD1 ILE 79 1.073 -4.317 -23.019 609 3HD1 ILE 79 3HD1 ILE 79 0.030 -3.965 -24.416 610 H ILE 80 H ILE 80 5.361 -0.901 -22.916 611 HA ILE 80 HA ILE 80 7.292 -0.667 -25.115 612 HB ILE 80 HB ILE 80 8.673 -0.085 -22.833 613 1HG1 ILE 80 1HG1 ILE 80 7.171 1.679 -21.727 614 2HG1 ILE 80 2HG1 ILE 80 5.819 0.840 -22.462 615 1HG2 ILE 80 1HG2 ILE 80 7.227 1.719 -24.785 616 2HG2 ILE 80 2HG2 ILE 80 8.397 2.308 -23.578 617 3HG2 ILE 80 3HG2 ILE 80 8.919 1.164 -24.839 618 1HD1 ILE 80 2HD1 ILE 80 7.903 -0.574 -20.741 619 2HD1 ILE 80 3HD1 ILE 80 6.386 0.096 -20.092 620 3HD1 ILE 80 1HD1 ILE 80 6.337 -1.218 -21.292 621 H GLY 81 H GLY 81 6.058 -2.639 -22.487 622 1HA GLY 81 2HA GLY 81 8.194 -4.211 -21.792 623 2HA GLY 81 1HA GLY 81 7.655 -4.859 -23.329 624 H GLU 82 H GLU 82 7.527 -6.186 -20.709 625 HA GLU 82 HA GLU 82 4.764 -6.047 -19.969 626 1HB GLU 82 1HB GLU 82 5.637 -8.819 -20.681 627 2HB GLU 82 2HB GLU 82 4.043 -8.095 -20.761 628 1HG GLU 82 1HG GLU 82 4.763 -6.755 -22.759 629 2HG GLU 82 2HG GLU 82 6.343 -7.511 -22.687 630 H LEU 83 H LEU 83 4.309 -7.492 -18.035 631 HA LEU 83 HA LEU 83 6.468 -7.287 -16.217 632 1HB LEU 83 1HB LEU 83 3.934 -7.080 -15.831 633 2HB LEU 83 2HB LEU 83 3.925 -8.831 -15.777 634 HG LEU 83 HG LEU 83 4.252 -8.588 -13.583 635 1HD1 LEU 83 3HD1 LEU 83 6.448 -9.412 -14.290 636 2HD1 LEU 83 1HD1 LEU 83 7.043 -7.738 -14.406 637 3HD1 LEU 83 2HD1 LEU 83 6.564 -8.406 -12.826 638 1HD2 LEU 83 1HD2 LEU 83 4.996 -5.762 -14.272 639 2HD2 LEU 83 2HD2 LEU 83 3.636 -6.379 -13.303 640 3HD2 LEU 83 3HD2 LEU 83 5.286 -6.395 -12.633 641 H HIS 84 H HIS 84 8.086 -8.694 -15.800 642 HA HIS 84 HA HIS 84 8.169 -11.125 -17.275 643 1HB HIS 84 1HB HIS 84 10.013 -9.381 -16.060 644 2HB HIS 84 2HB HIS 84 10.177 -10.895 -15.192 645 HD1 HIS 84 HD1 HIS 84 12.627 -10.777 -16.447 646 HD2 HIS 84 HD2 HIS 84 9.283 -11.629 -18.834 647 HE1 HIS 84 HE1 HIS 84 13.530 -11.800 -18.605 648 HE2 HIS 84 HE2 HIS 84 11.426 -12.352 -20.008 649 HA PRO 85 HA PRO 85 7.097 -13.956 -14.148 650 1HB PRO 85 1HB PRO 85 9.196 -15.648 -13.695 651 2HB PRO 85 2HB PRO 85 8.146 -15.777 -15.093 652 1HG PRO 85 1HG PRO 85 10.910 -14.738 -14.937 653 2HG PRO 85 2HG PRO 85 10.014 -15.267 -16.348 654 1HD PRO 85 1HD PRO 85 10.540 -12.557 -15.564 655 2HD PRO 85 2HD PRO 85 9.546 -13.086 -16.907 656 H ASP 86 H ASP 86 8.926 -11.515 -13.341 657 HA ASP 86 HA ASP 86 9.743 -12.407 -10.774 658 1HB ASP 86 1HB ASP 86 11.117 -10.656 -11.323 659 2HB ASP 86 2HB ASP 86 9.950 -9.968 -12.436 660 H ASP 87 H ASP 87 6.912 -10.940 -12.302 661 HA ASP 87 HA ASP 87 5.493 -11.138 -9.844 662 1HB ASP 87 1HB ASP 87 6.450 -8.543 -10.864 663 2HB ASP 87 2HB ASP 87 4.704 -8.573 -10.714 664 H ARG 88 H ARG 88 5.333 -12.527 -12.335 665 HA ARG 88 HA ARG 88 3.321 -11.237 -13.898 666 1HB ARG 88 1HB ARG 88 5.176 -13.492 -14.196 667 2HB ARG 88 2HB ARG 88 3.568 -13.950 -14.718 668 1HG ARG 88 1HG ARG 88 3.464 -12.144 -16.323 669 2HG ARG 88 2HG ARG 88 4.872 -11.356 -15.640 670 1HD ARG 88 1HD ARG 88 6.106 -12.457 -17.205 671 2HD ARG 88 2HD ARG 88 5.831 -13.916 -16.274 672 HE ARG 88 HE ARG 88 3.540 -13.774 -17.778 673 1HH1 ARG 88 2HH1 ARG 88 3.246 -14.625 -19.878 674 2HH1 ARG 88 1HH1 ARG 88 4.605 -14.808 -20.936 675 1HH2 ARG 88 2HH2 ARG 88 6.946 -13.542 -18.629 676 2HH2 ARG 88 1HH2 ARG 88 6.724 -14.187 -20.222 677 H SER 89 H SER 89 3.518 -14.629 -12.584 678 HA SER 89 HA SER 89 0.737 -14.863 -12.505 679 1HB SER 89 1HB SER 89 2.784 -16.634 -12.485 680 2HB SER 89 2HB SER 89 2.448 -16.613 -10.764 681 HG SER 89 HG SER 89 1.233 -18.247 -12.018 682 H LYS 90 H LYS 90 1.711 -12.484 -11.069 683 HA LYS 90 HA LYS 90 0.642 -13.147 -8.419 684 1HB LYS 90 1HB LYS 90 3.280 -12.164 -9.061 685 2HB LYS 90 2HB LYS 90 2.414 -10.961 -8.126 686 1HG LYS 90 1HG LYS 90 2.332 -13.869 -7.270 687 2HG LYS 90 2HG LYS 90 3.735 -12.892 -6.884 688 1HD LYS 90 1HD LYS 90 2.635 -11.900 -5.168 689 2HD LYS 90 2HD LYS 90 1.362 -11.361 -6.247 690 1HE LYS 90 1HE LYS 90 -0.064 -12.899 -5.382 691 2HE LYS 90 2HE LYS 90 1.019 -14.198 -5.841 692 1HZ LYS 90 3HZ LYS 90 1.280 -12.607 -3.384 693 2HZ LYS 90 1HZ LYS 90 0.631 -14.104 -3.466 694 3HZ LYS 90 2HZ LYS 90 2.213 -13.880 -3.804 695 H ILE 91 H ILE 91 1.035 -10.881 -11.146 696 HA ILE 91 HA ILE 91 -1.310 -9.454 -10.113 697 HB ILE 91 HB ILE 91 -0.369 -7.436 -10.269 698 1HG1 ILE 91 1HG1 ILE 91 1.213 -8.477 -12.628 699 2HG1 ILE 91 2HG1 ILE 91 -0.142 -7.366 -12.645 700 1HG2 ILE 91 1HG2 ILE 91 1.265 -9.152 -9.036 701 2HG2 ILE 91 2HG2 ILE 91 2.373 -8.592 -10.310 702 3HG2 ILE 91 3HG2 ILE 91 1.632 -7.418 -9.197 703 1HD1 ILE 91 3HD1 ILE 91 1.345 -5.827 -11.145 704 2HD1 ILE 91 1HD1 ILE 91 2.689 -6.866 -11.675 705 3HD1 ILE 91 2HD1 ILE 91 1.746 -5.950 -12.874 706 H THR 92 H THR 92 0.642 -10.691 -12.832 707 HA THR 92 HA THR 92 -0.579 -9.756 -15.021 708 HB THR 92 HB THR 92 1.244 -11.585 -14.708 709 HG1 THR 92 HG1 THR 92 0.570 -12.382 -16.844 710 1HG2 THR 92 3HG2 THR 92 -0.547 -13.133 -13.492 711 2HG2 THR 92 1HG2 THR 92 -1.084 -13.482 -15.153 712 3HG2 THR 92 2HG2 THR 92 0.584 -13.860 -14.659 713 H LYS 93 H LYS 93 -2.027 -12.016 -12.659 714 HA LYS 93 HA LYS 93 -4.461 -11.993 -14.289 715 1HB LYS 93 1HB LYS 93 -3.573 -14.207 -13.756 716 2HB LYS 93 2HB LYS 93 -3.593 -13.837 -12.045 717 1HG LYS 93 1HG LYS 93 -6.127 -13.372 -12.318 718 2HG LYS 93 2HG LYS 93 -5.991 -14.101 -13.907 719 1HD LYS 93 1HD LYS 93 -5.969 -16.200 -13.037 720 2HD LYS 93 2HD LYS 93 -4.680 -15.794 -11.919 721 1HE LYS 93 1HE LYS 93 -6.421 -14.682 -10.424 722 2HE LYS 93 2HE LYS 93 -7.665 -15.283 -11.502 723 1HZ LYS 93 3HZ LYS 93 -5.711 -17.158 -10.440 724 2HZ LYS 93 1HZ LYS 93 -6.929 -16.658 -9.473 725 3HZ LYS 93 2HZ LYS 93 -7.263 -17.420 -10.879 726 HA PRO 94 HA PRO 94 -6.235 -9.305 -11.402 727 1HB PRO 94 1HB PRO 94 -8.863 -9.529 -12.118 728 2HB PRO 94 2HB PRO 94 -7.722 -8.506 -12.967 729 1HG PRO 94 1HG PRO 94 -8.842 -11.115 -13.791 730 2HG PRO 94 2HG PRO 94 -8.058 -9.897 -14.776 731 1HD PRO 94 1HD PRO 94 -6.911 -12.360 -13.856 732 2HD PRO 94 2HD PRO 94 -6.093 -11.090 -14.743 733 H SER 95 H SER 95 -8.515 -9.272 -10.001 734 HA SER 95 HA SER 95 -8.510 -11.876 -8.713 735 1HB SER 95 1HB SER 95 -8.515 -10.785 -6.485 736 2HB SER 95 2HB SER 95 -7.043 -10.434 -7.370 737 HG SER 95 HG SER 95 -9.308 -8.649 -7.458 738 H GLU 96 H GLU 96 -10.450 -11.829 -6.951 739 HA GLU 96 HA GLU 96 -12.631 -10.263 -8.055 740 1HB GLU 96 1HB GLU 96 -12.356 -12.910 -8.727 741 2HB GLU 96 2HB GLU 96 -13.325 -13.057 -7.274 742 1HG GLU 96 1HG GLU 96 -15.021 -11.515 -8.191 743 2HG GLU 96 2HG GLU 96 -14.026 -11.208 -9.602 744 H SER 97 H SER 97 -14.544 -10.161 -6.532 745 HA SER 97 HA SER 97 -15.475 -10.043 -4.556 746 1HB SER 97 1HB SER 97 -14.063 -12.298 -4.164 747 2HB SER 97 2HB SER 97 -13.174 -11.274 -3.052 748 HG SER 97 HG SER 97 -15.947 -12.027 -2.984 749 H ILE 98 H ILE 98 -15.344 -8.620 -2.620 750 HA ILE 98 HA ILE 98 -12.909 -7.304 -2.009 751 HB ILE 98 HB ILE 98 -13.347 -6.244 -4.160 752 1HG1 ILE 98 1HG1 ILE 98 -13.984 -4.016 -2.322 753 2HG1 ILE 98 2HG1 ILE 98 -12.643 -5.026 -1.817 754 1HG2 ILE 98 3HG2 ILE 98 -15.888 -6.548 -3.944 755 2HG2 ILE 98 1HG2 ILE 98 -15.858 -5.028 -3.017 756 3HG2 ILE 98 2HG2 ILE 98 -15.285 -5.055 -4.701 757 1HD1 ILE 98 1HD1 ILE 98 -12.046 -4.759 -4.477 758 2HD1 ILE 98 2HD1 ILE 98 -12.867 -3.209 -4.169 759 3HD1 ILE 98 3HD1 ILE 98 -11.436 -3.663 -3.213 760 H ILE 99 H ILE 99 -16.522 -7.033 -2.068 761 HA ILE 99 HA ILE 99 -17.986 -6.723 -0.447 762 HB ILE 99 HB ILE 99 -15.702 -7.681 1.274 763 1HG1 ILE 99 1HG1 ILE 99 -18.063 -9.378 0.976 764 2HG1 ILE 99 2HG1 ILE 99 -17.304 -9.023 -0.565 765 1HG2 ILE 99 3HG2 ILE 99 -17.194 -6.310 2.638 766 2HG2 ILE 99 1HG2 ILE 99 -18.595 -7.247 2.068 767 3HG2 ILE 99 2HG2 ILE 99 -17.341 -8.033 3.056 768 1HD1 ILE 99 1HD1 ILE 99 -15.780 -10.016 1.887 769 2HD1 ILE 99 2HD1 ILE 99 -16.366 -11.068 0.576 770 3HD1 ILE 99 3HD1 ILE 99 -15.139 -9.824 0.237 771 H THR 100 H THR 100 -18.822 -4.908 0.538 772 HA THR 100 HA THR 100 -16.963 -2.980 1.678 773 HB THR 100 HB THR 100 -18.660 -2.556 -0.822 774 HG1 THR 100 HG1 THR 100 -16.432 -3.095 -1.125 775 1HG2 THR 100 1HG2 THR 100 -17.609 -0.534 1.202 776 2HG2 THR 100 2HG2 THR 100 -17.741 -0.117 -0.522 777 3HG2 THR 100 3HG2 THR 100 -19.198 -0.565 0.398 778 H THR 101 H THR 101 -17.871 -1.638 3.234 779 HA THR 101 HA THR 101 -20.738 -2.065 3.727 780 HB THR 101 HB THR 101 -18.350 -2.517 5.554 781 HG1 THR 101 HG1 THR 101 -19.651 -4.183 4.301 782 1HG2 THR 101 2HG2 THR 101 -21.244 -1.931 6.376 783 2HG2 THR 101 3HG2 THR 101 -20.011 -2.641 7.447 784 3HG2 THR 101 1HG2 THR 101 -19.813 -0.978 6.840 785 H ILE 102 H ILE 102 -21.786 -0.368 4.954 786 HA ILE 102 HA ILE 102 -20.263 2.062 5.301 787 HB ILE 102 HB ILE 102 -21.397 3.401 3.799 788 1HG1 ILE 102 1HG1 ILE 102 -23.667 2.430 4.399 789 2HG1 ILE 102 2HG1 ILE 102 -23.456 2.979 2.748 790 1HG2 ILE 102 1HG2 ILE 102 -19.762 1.988 2.681 791 2HG2 ILE 102 2HG2 ILE 102 -21.005 0.747 2.390 792 3HG2 ILE 102 3HG2 ILE 102 -21.135 2.337 1.602 793 1HD1 ILE 102 3HD1 ILE 102 -22.830 0.096 3.384 794 2HD1 ILE 102 1HD1 ILE 102 -24.531 0.599 3.252 795 3HD1 ILE 102 2HD1 ILE 102 -23.432 0.813 1.869 796 H ASP 103 H ASP 103 -21.291 3.542 6.746 797 HA ASP 103 HA ASP 103 -23.896 3.291 7.576 798 1HB ASP 103 1HB ASP 103 -23.636 2.244 9.798 799 2HB ASP 103 2HB ASP 103 -23.204 1.116 8.531 800 H SER 104 H SER 104 -24.082 4.458 9.929 801 HA SER 104 HA SER 104 -23.711 6.231 11.121 802 1HB SER 104 1HB SER 104 -21.778 5.319 12.099 803 2HB SER 104 2HB SER 104 -20.877 5.335 10.597 804 HG SER 104 HG SER 104 -21.585 7.627 12.220 No H/Q in entry = 804 Start of MODEL 9 1 H ALA 1 H ALA 1 31.310 6.777 -34.615 2 HA ALA 1 HA ALA 1 30.973 4.969 -32.328 3 1HB ALA 1 1HB ALA 1 31.700 6.987 -31.317 4 2HB ALA 1 3HB ALA 1 29.925 7.035 -31.193 5 3HB ALA 1 2HB ALA 1 30.756 7.991 -32.443 6 H GLU 2 H GLU 2 28.808 4.344 -31.904 7 HA GLU 2 HA GLU 2 26.609 5.516 -33.048 8 1HB GLU 2 1HB GLU 2 27.939 4.448 -35.117 9 2HB GLU 2 2HB GLU 2 27.139 2.982 -34.589 10 1HG GLU 2 1HG GLU 2 24.946 3.948 -34.875 11 2HG GLU 2 2HG GLU 2 25.593 5.571 -35.013 12 H GLU 3 H GLU 3 24.722 4.597 -32.169 13 HA GLU 3 HA GLU 3 24.491 1.954 -31.439 14 1HB GLU 3 1HB GLU 3 24.707 2.052 -28.983 15 2HB GLU 3 2HB GLU 3 26.234 2.439 -29.753 16 1HG GLU 3 1HG GLU 3 24.731 4.892 -29.456 17 2HG GLU 3 2HG GLU 3 24.706 4.051 -27.919 18 H SER 4 H SER 4 22.482 1.618 -29.983 19 HA SER 4 HA SER 4 20.841 3.575 -29.165 20 1HB SER 4 1HB SER 4 19.145 3.619 -31.133 21 2HB SER 4 2HB SER 4 20.572 4.628 -31.258 22 HG SER 4 HG SER 4 20.395 3.549 -33.224 23 H SER 5 H SER 5 18.791 2.695 -28.432 24 HA SER 5 HA SER 5 17.626 0.421 -29.318 25 1HB SER 5 1HB SER 5 20.076 -0.294 -28.167 26 2HB SER 5 2HB SER 5 18.930 -0.596 -26.877 27 HG SER 5 HG SER 5 18.195 -1.503 -29.469 28 H LYS 6 H LYS 6 15.944 -0.399 -27.733 29 HA LYS 6 HA LYS 6 15.599 0.479 -25.186 30 1HB LYS 6 1HB LYS 6 15.361 2.695 -26.977 31 2HB LYS 6 2HB LYS 6 13.766 2.350 -26.334 32 1HG LYS 6 1HG LYS 6 14.418 2.736 -24.108 33 2HG LYS 6 2HG LYS 6 16.099 2.348 -24.417 34 1HD LYS 6 1HD LYS 6 16.605 4.476 -25.188 35 2HD LYS 6 2HD LYS 6 15.021 4.715 -25.901 36 1HE LYS 6 1HE LYS 6 14.957 6.193 -24.070 37 2HE LYS 6 2HE LYS 6 14.146 4.781 -23.422 38 1HZ LYS 6 1HZ LYS 6 16.493 4.125 -22.697 39 2HZ LYS 6 2HZ LYS 6 16.862 5.702 -22.906 40 3HZ LYS 6 3HZ LYS 6 15.703 5.269 -21.841 41 H ALA 7 H ALA 7 14.389 -1.266 -24.664 42 HA ALA 7 HA ALA 7 11.734 -1.461 -25.489 43 1HB ALA 7 2HB ALA 7 12.693 -2.144 -27.655 44 2HB ALA 7 3HB ALA 7 13.632 -3.420 -26.846 45 3HB ALA 7 1HB ALA 7 11.854 -3.507 -26.876 46 H VAL 8 H VAL 8 11.861 -1.481 -23.101 47 HA VAL 8 HA VAL 8 13.180 -3.160 -21.500 48 HB VAL 8 HB VAL 8 11.846 -1.804 -20.308 49 1HG1 VAL 8 2HG1 VAL 8 10.066 -2.003 -22.659 50 2HG1 VAL 8 3HG1 VAL 8 9.237 -1.710 -21.111 51 3HG1 VAL 8 1HG1 VAL 8 10.507 -0.593 -21.666 52 1HG2 VAL 8 3HG2 VAL 8 11.341 -4.193 -19.622 53 2HG2 VAL 8 1HG2 VAL 8 10.134 -2.977 -19.140 54 3HG2 VAL 8 2HG2 VAL 8 9.817 -4.043 -20.529 55 H LYS 9 H LYS 9 9.949 -4.000 -22.954 56 HA LYS 9 HA LYS 9 9.187 -5.936 -23.727 57 1HB LYS 9 1HB LYS 9 12.012 -6.301 -23.949 58 2HB LYS 9 2HB LYS 9 11.328 -7.795 -23.339 59 1HG LYS 9 1HG LYS 9 9.760 -6.526 -25.534 60 2HG LYS 9 2HG LYS 9 11.364 -7.054 -26.003 61 1HD LYS 9 1HD LYS 9 10.031 -9.077 -24.341 62 2HD LYS 9 2HD LYS 9 9.055 -8.670 -25.736 63 1HE LYS 9 1HE LYS 9 11.994 -9.508 -25.822 64 2HE LYS 9 2HE LYS 9 10.635 -10.536 -26.233 65 1HZ LYS 9 3HZ LYS 9 10.073 -8.728 -27.888 66 2HZ LYS 9 1HZ LYS 9 11.586 -8.165 -27.651 67 3HZ LYS 9 2HZ LYS 9 11.359 -9.674 -28.231 68 H TYR 10 H TYR 10 11.451 -6.561 -20.952 69 HA TYR 10 HA TYR 10 9.130 -7.574 -19.479 70 1HB TYR 10 1HB TYR 10 11.527 -9.028 -18.777 71 2HB TYR 10 2HB TYR 10 10.108 -9.679 -19.572 72 HD1 TYR 10 HD1 TYR 10 13.406 -8.077 -20.187 73 HD2 TYR 10 HD2 TYR 10 10.150 -10.277 -21.879 74 HE1 TYR 10 HE1 TYR 10 14.767 -8.484 -22.296 75 HE2 TYR 10 HE2 TYR 10 11.522 -10.676 -23.982 76 HH TYR 10 HH TYR 10 13.634 -10.659 -24.780 77 H TYR 11 H TYR 11 8.938 -6.465 -17.603 78 HA TYR 11 HA TYR 11 11.432 -5.560 -16.335 79 1HB TYR 11 1HB TYR 11 9.029 -4.164 -17.369 80 2HB TYR 11 2HB TYR 11 9.219 -3.858 -15.656 81 HD1 TYR 11 HD1 TYR 11 12.151 -4.438 -17.812 82 HD2 TYR 11 HD2 TYR 11 9.652 -1.486 -15.983 83 HE1 TYR 11 HE1 TYR 11 13.883 -2.647 -18.319 84 HE2 TYR 11 HE2 TYR 11 11.393 0.295 -16.496 85 HH TYR 11 HH TYR 11 14.546 -0.510 -17.522 86 H THR 12 H THR 12 10.999 -4.942 -13.939 87 HA THR 12 HA THR 12 9.242 -7.022 -12.821 88 HB THR 12 HB THR 12 10.830 -7.026 -10.939 89 HG1 THR 12 HG1 THR 12 12.672 -5.442 -11.237 90 1HG2 THR 12 2HG2 THR 12 12.294 -6.867 -13.626 91 2HG2 THR 12 3HG2 THR 12 13.025 -7.464 -12.117 92 3HG2 THR 12 1HG2 THR 12 11.668 -8.345 -12.857 93 H LEU 13 H LEU 13 8.116 -6.533 -10.795 94 HA LEU 13 HA LEU 13 6.493 -4.376 -10.987 95 1HB LEU 13 1HB LEU 13 7.201 -6.342 -8.953 96 2HB LEU 13 2HB LEU 13 6.680 -4.820 -8.259 97 HG LEU 13 HG LEU 13 5.130 -6.623 -10.129 98 1HD1 LEU 13 2HD1 LEU 13 5.364 -6.679 -7.392 99 2HD1 LEU 13 3HD1 LEU 13 3.891 -5.711 -7.632 100 3HD1 LEU 13 1HD1 LEU 13 4.008 -7.342 -8.335 101 1HD2 LEU 13 1HD2 LEU 13 4.954 -3.765 -9.891 102 2HD2 LEU 13 2HD2 LEU 13 4.006 -4.878 -10.907 103 3HD2 LEU 13 3HD2 LEU 13 3.471 -4.513 -9.249 104 H GLU 14 H GLU 14 9.735 -4.571 -9.469 105 HA GLU 14 HA GLU 14 9.573 -2.037 -8.290 106 1HB GLU 14 1HB GLU 14 11.380 -4.201 -8.304 107 2HB GLU 14 2HB GLU 14 12.296 -2.875 -8.994 108 1HG GLU 14 1HG GLU 14 12.683 -2.455 -6.744 109 2HG GLU 14 2HG GLU 14 11.231 -1.498 -6.960 110 H GLU 15 H GLU 15 11.216 -3.236 -11.306 111 HA GLU 15 HA GLU 15 12.292 -0.934 -12.158 112 1HB GLU 15 1HB GLU 15 10.889 -3.052 -13.845 113 2HB GLU 15 2HB GLU 15 11.989 -1.847 -14.487 114 1HG GLU 15 1HG GLU 15 12.974 -3.484 -12.164 115 2HG GLU 15 2HG GLU 15 12.813 -4.311 -13.701 116 H ILE 16 H ILE 16 8.851 -1.898 -12.238 117 HA ILE 16 HA ILE 16 8.139 0.410 -13.818 118 HB ILE 16 HB ILE 16 6.320 -1.554 -12.432 119 1HG1 ILE 16 1HG1 ILE 16 6.786 -2.032 -15.274 120 2HG1 ILE 16 2HG1 ILE 16 8.252 -2.223 -14.330 121 1HG2 ILE 16 2HG2 ILE 16 5.992 0.571 -14.510 122 2HG2 ILE 16 3HG2 ILE 16 4.984 -0.894 -14.611 123 3HG2 ILE 16 1HG2 ILE 16 4.937 0.121 -13.149 124 1HD1 ILE 16 2HD1 ILE 16 6.237 -3.457 -12.772 125 2HD1 ILE 16 3HD1 ILE 16 5.904 -3.952 -14.449 126 3HD1 ILE 16 1HD1 ILE 16 7.499 -4.272 -13.728 127 H GLN 17 H GLN 17 8.223 -0.656 -10.418 128 HA GLN 17 HA GLN 17 6.575 1.373 -9.450 129 1HB GLN 17 1HB GLN 17 7.645 -0.868 -8.374 130 2HB GLN 17 2HB GLN 17 8.789 0.295 -7.734 131 1HG GLN 17 1HG GLN 17 6.187 1.445 -7.387 132 2HG GLN 17 2HG GLN 17 6.061 -0.226 -6.881 133 1HE2 GLN 17 1HE2 GLN 17 6.553 2.736 -5.767 134 2HE2 GLN 17 2HE2 GLN 17 7.595 2.459 -4.409 135 H LYS 18 H LYS 18 10.013 1.212 -10.332 136 HA LYS 18 HA LYS 18 10.765 3.568 -8.946 137 1HB LYS 18 1HB LYS 18 12.103 2.175 -11.286 138 2HB LYS 18 2HB LYS 18 12.835 3.375 -10.239 139 1HG LYS 18 1HG LYS 18 11.610 0.879 -9.029 140 2HG LYS 18 2HG LYS 18 13.205 0.798 -9.750 141 1HD LYS 18 1HD LYS 18 12.403 2.794 -7.582 142 2HD LYS 18 2HD LYS 18 13.230 1.283 -7.267 143 1HE LYS 18 1HE LYS 18 15.250 2.111 -7.953 144 2HE LYS 18 2HE LYS 18 14.561 2.859 -9.380 145 1HZ LYS 18 3HZ LYS 18 13.753 4.153 -6.990 146 2HZ LYS 18 1HZ LYS 18 15.378 4.151 -7.163 147 3HZ LYS 18 2HZ LYS 18 14.432 4.786 -8.334 148 H HIS 19 H HIS 19 9.275 2.827 -12.080 149 HA HIS 19 HA HIS 19 9.642 5.590 -12.906 150 1HB HIS 19 1HB HIS 19 8.931 3.028 -14.274 151 2HB HIS 19 2HB HIS 19 8.333 4.523 -14.968 152 HD1 HIS 19 HD1 HIS 19 9.823 5.024 -16.912 153 HD2 HIS 19 HD2 HIS 19 11.990 3.788 -13.538 154 HE1 HIS 19 HE1 HIS 19 12.289 5.226 -17.533 155 HE2 HIS 19 HE2 HIS 19 13.570 4.506 -15.403 156 H ASN 20 H ASN 20 8.250 6.752 -11.538 157 HA ASN 20 HA ASN 20 5.456 6.261 -12.118 158 1HB ASN 20 1HB ASN 20 5.470 5.296 -9.964 159 2HB ASN 20 2HB ASN 20 6.780 6.315 -9.401 160 1HD2 ASN 20 1HD2 ASN 20 3.540 6.772 -10.823 161 2HD2 ASN 20 2HD2 ASN 20 2.956 7.927 -9.670 162 H ASN 21 H ASN 21 7.829 8.222 -12.730 163 HA ASN 21 HA ASN 21 6.695 10.634 -11.588 164 1HB ASN 21 1HB ASN 21 9.336 9.978 -12.965 165 2HB ASN 21 2HB ASN 21 8.829 11.643 -12.763 166 1HD2 ASN 21 1HD2 ASN 21 10.745 9.404 -11.513 167 2HD2 ASN 21 2HD2 ASN 21 10.750 9.810 -9.828 168 H SER 22 H SER 22 6.399 12.536 -13.136 169 HA SER 22 HA SER 22 4.904 11.789 -15.327 170 1HB SER 22 1HB SER 22 6.168 14.408 -14.458 171 2HB SER 22 2HB SER 22 5.262 14.310 -15.956 172 HG SER 22 HG SER 22 4.197 13.455 -13.403 173 H LYS 23 H LYS 23 8.319 11.889 -14.892 174 HA LYS 23 HA LYS 23 8.804 12.279 -17.745 175 1HB LYS 23 1HB LYS 23 11.133 12.542 -17.132 176 2HB LYS 23 2HB LYS 23 10.135 13.617 -16.173 177 1HG LYS 23 1HG LYS 23 10.627 12.536 -14.204 178 2HG LYS 23 2HG LYS 23 10.544 10.946 -14.936 179 1HD LYS 23 1HD LYS 23 12.820 12.178 -16.109 180 2HD LYS 23 2HD LYS 23 12.889 12.616 -14.414 181 1HE LYS 23 1HE LYS 23 12.532 10.154 -13.840 182 2HE LYS 23 2HE LYS 23 12.672 9.787 -15.548 183 1HZ LYS 23 2HZ LYS 23 14.823 11.335 -15.039 184 2HZ LYS 23 3HZ LYS 23 14.710 10.423 -13.688 185 3HZ LYS 23 1HZ LYS 23 14.829 9.707 -15.150 186 H SER 24 H SER 24 8.420 9.844 -15.290 187 HA SER 24 HA SER 24 9.190 7.883 -17.275 188 1HB SER 24 1HB SER 24 10.534 8.348 -14.685 189 2HB SER 24 2HB SER 24 10.007 6.688 -14.888 190 HG SER 24 HG SER 24 12.152 7.920 -16.004 191 H THR 25 H THR 25 6.633 8.330 -17.138 192 HA THR 25 HA THR 25 5.368 6.993 -14.911 193 HB THR 25 HB THR 25 3.968 7.873 -17.450 194 HG1 THR 25 HG1 THR 25 4.244 10.068 -16.603 195 1HG2 THR 25 1HG2 THR 25 3.443 7.982 -14.445 196 2HG2 THR 25 2HG2 THR 25 2.518 8.982 -15.590 197 3HG2 THR 25 3HG2 THR 25 2.450 7.207 -15.703 198 H TRP 26 H TRP 26 5.824 4.837 -14.830 199 HA TRP 26 HA TRP 26 5.107 3.334 -17.255 200 1HB TRP 26 1HB TRP 26 7.293 2.864 -15.236 201 2HB TRP 26 2HB TRP 26 6.677 1.577 -16.254 202 HD1 TRP 26 HD1 TRP 26 7.299 5.195 -17.534 203 HE1 TRP 26 HE1 TRP 26 9.115 5.212 -19.449 204 HE3 TRP 26 HE3 TRP 26 8.488 0.265 -17.170 205 HZ2 TRP 26 HZ2 TRP 26 10.806 3.206 -20.572 206 HZ3 TRP 26 HZ3 TRP 26 10.232 -0.626 -18.713 207 HH2 TRP 26 HH2 TRP 26 11.376 0.759 -20.370 208 H LEU 27 H LEU 27 3.686 1.573 -16.953 209 HA LEU 27 HA LEU 27 2.974 0.833 -14.254 210 1HB LEU 27 1HB LEU 27 0.865 1.621 -14.172 211 2HB LEU 27 2HB LEU 27 1.609 2.906 -15.103 212 HG LEU 27 HG LEU 27 -0.356 2.545 -16.254 213 1HD1 LEU 27 3HD1 LEU 27 1.919 2.045 -17.580 214 2HD1 LEU 27 1HD1 LEU 27 1.083 0.499 -17.858 215 3HD1 LEU 27 2HD1 LEU 27 0.316 2.026 -18.354 216 1HD2 LEU 27 1HD2 LEU 27 -0.433 0.116 -14.913 217 2HD2 LEU 27 2HD2 LEU 27 -1.661 0.754 -16.031 218 3HD2 LEU 27 3HD2 LEU 27 -0.396 -0.343 -16.631 219 H ILE 28 H ILE 28 1.256 -1.010 -14.375 220 HA ILE 28 HA ILE 28 1.868 -2.594 -16.774 221 HB ILE 28 HB ILE 28 1.221 -3.821 -14.122 222 1HG1 ILE 28 1HG1 ILE 28 4.091 -3.372 -14.815 223 2HG1 ILE 28 2HG1 ILE 28 3.201 -2.023 -14.135 224 1HG2 ILE 28 1HG2 ILE 28 1.317 -5.105 -16.311 225 2HG2 ILE 28 2HG2 ILE 28 3.068 -4.792 -16.306 226 3HG2 ILE 28 3HG2 ILE 28 2.327 -5.720 -14.981 227 1HD1 ILE 28 2HD1 ILE 28 2.670 -4.564 -12.720 228 2HD1 ILE 28 3HD1 ILE 28 4.380 -4.074 -12.672 229 3HD1 ILE 28 1HD1 ILE 28 3.121 -2.971 -12.064 230 H LEU 29 H LEU 29 0.157 -3.165 -18.011 231 HA LEU 29 HA LEU 29 -2.484 -2.972 -16.737 232 1HB LEU 29 1HB LEU 29 -1.520 -1.366 -18.731 233 2HB LEU 29 2HB LEU 29 -2.337 -2.615 -19.650 234 HG LEU 29 HG LEU 29 -3.477 -0.600 -17.746 235 1HD1 LEU 29 3HD1 LEU 29 -3.378 -0.313 -20.265 236 2HD1 LEU 29 1HD1 LEU 29 -4.583 -1.620 -20.366 237 3HD1 LEU 29 2HD1 LEU 29 -4.976 -0.114 -19.504 238 1HD2 LEU 29 3HD2 LEU 29 -4.326 -3.405 -17.934 239 2HD2 LEU 29 1HD2 LEU 29 -4.699 -2.164 -16.713 240 3HD2 LEU 29 2HD2 LEU 29 -5.628 -2.229 -18.229 241 H HIS 30 H HIS 30 -3.676 -4.810 -16.725 242 HA HIS 30 HA HIS 30 -4.366 -6.840 -17.199 243 1HB HIS 30 1HB HIS 30 -2.867 -6.556 -19.819 244 2HB HIS 30 2HB HIS 30 -4.044 -7.797 -19.443 245 HD1 HIS 30 HD1 HIS 30 -3.875 -3.981 -19.732 246 HD2 HIS 30 HD2 HIS 30 -6.628 -7.127 -20.077 247 HE1 HIS 30 HE1 HIS 30 -6.045 -2.940 -20.578 248 HE2 HIS 30 HE2 HIS 30 -7.683 -4.930 -20.823 249 H TYR 31 H TYR 31 -0.975 -6.576 -18.497 250 HA TYR 31 HA TYR 31 0.162 -8.017 -16.399 251 1HB TYR 31 1HB TYR 31 0.534 -10.171 -17.691 252 2HB TYR 31 2HB TYR 31 -1.172 -9.893 -17.393 253 HD1 TYR 31 HD1 TYR 31 -2.675 -9.202 -19.235 254 HD2 TYR 31 HD2 TYR 31 1.451 -10.092 -19.937 255 HE1 TYR 31 HE1 TYR 31 -3.133 -9.393 -21.728 256 HE2 TYR 31 HE2 TYR 31 0.979 -10.279 -22.429 257 HH TYR 31 HH TYR 31 -1.520 -9.037 -23.886 258 H LYS 32 H LYS 32 0.203 -6.071 -19.074 259 HA LYS 32 HA LYS 32 3.030 -6.635 -19.625 260 1HB LYS 32 1HB LYS 32 0.945 -5.226 -21.317 261 2HB LYS 32 2HB LYS 32 2.643 -5.362 -21.730 262 1HG LYS 32 1HG LYS 32 2.521 -7.713 -22.032 263 2HG LYS 32 2HG LYS 32 1.072 -7.865 -21.058 264 1HD LYS 32 1HD LYS 32 -0.081 -7.878 -23.020 265 2HD LYS 32 2HD LYS 32 0.232 -6.155 -23.095 266 1HE LYS 32 1HE LYS 32 1.521 -6.448 -24.937 267 2HE LYS 32 2HE LYS 32 2.603 -7.488 -24.034 268 1HZ LYS 32 1HZ LYS 32 0.611 -9.144 -24.458 269 2HZ LYS 32 2HZ LYS 32 0.433 -8.204 -25.782 270 3HZ LYS 32 3HZ LYS 32 1.849 -8.971 -25.510 271 H VAL 33 H VAL 33 4.163 -4.415 -20.367 272 HA VAL 33 HA VAL 33 3.502 -2.485 -18.251 273 HB VAL 33 HB VAL 33 6.145 -3.361 -19.419 274 1HG1 VAL 33 3HG1 VAL 33 5.514 -0.974 -17.659 275 2HG1 VAL 33 1HG1 VAL 33 7.144 -1.673 -17.822 276 3HG1 VAL 33 2HG1 VAL 33 6.323 -0.987 -19.245 277 1HG2 VAL 33 1HG2 VAL 33 4.946 -3.474 -16.634 278 2HG2 VAL 33 2HG2 VAL 33 5.379 -4.839 -17.690 279 3HG2 VAL 33 3HG2 VAL 33 6.656 -3.811 -16.996 280 H TYR 34 H TYR 34 2.938 -0.463 -18.895 281 HA TYR 34 HA TYR 34 3.519 0.216 -21.702 282 1HB TYR 34 1HB TYR 34 1.235 1.105 -19.836 283 2HB TYR 34 2HB TYR 34 1.335 1.439 -21.554 284 HD1 TYR 34 HD1 TYR 34 0.028 0.142 -22.960 285 HD2 TYR 34 HD2 TYR 34 1.372 -1.544 -19.266 286 HE1 TYR 34 HE1 TYR 34 -1.285 -1.981 -23.444 287 HE2 TYR 34 HE2 TYR 34 0.057 -3.662 -19.761 288 HH TYR 34 HH TYR 34 -1.944 -4.264 -21.099 289 H ASP 35 H ASP 35 4.247 2.317 -22.165 290 HA ASP 35 HA ASP 35 5.430 3.612 -19.913 291 1HB ASP 35 1HB ASP 35 6.148 3.307 -22.557 292 2HB ASP 35 2HB ASP 35 5.478 4.926 -22.598 293 H LEU 36 H LEU 36 3.511 4.453 -18.796 294 HA LEU 36 HA LEU 36 1.433 5.807 -19.985 295 1HB LEU 36 1HB LEU 36 2.672 5.904 -17.250 296 2HB LEU 36 2HB LEU 36 1.323 6.943 -17.664 297 HG LEU 36 HG LEU 36 1.402 3.948 -17.415 298 1HD1 LEU 36 3HD1 LEU 36 0.348 6.151 -15.900 299 2HD1 LEU 36 1HD1 LEU 36 -0.981 5.080 -16.408 300 3HD1 LEU 36 2HD1 LEU 36 0.396 4.419 -15.496 301 1HD2 LEU 36 3HD2 LEU 36 -0.434 5.561 -19.160 302 2HD2 LEU 36 1HD2 LEU 36 0.342 3.990 -19.467 303 3HD2 LEU 36 2HD2 LEU 36 -1.031 4.099 -18.338 304 H THR 37 H THR 37 4.769 6.787 -19.438 305 HA THR 37 HA THR 37 4.683 9.478 -19.274 306 HB THR 37 HB THR 37 6.449 7.575 -20.877 307 HG1 THR 37 HG1 THR 37 7.682 7.883 -18.951 308 1HG2 THR 37 1HG2 THR 37 6.530 10.583 -20.646 309 2HG2 THR 37 2HG2 THR 37 8.063 9.703 -20.441 310 3HG2 THR 37 3HG2 THR 37 7.137 9.538 -21.952 311 H LYS 38 H LYS 38 4.186 7.556 -22.293 312 HA LYS 38 HA LYS 38 3.749 9.933 -23.814 313 1HB LYS 38 1HB LYS 38 3.801 6.997 -24.307 314 2HB LYS 38 2HB LYS 38 2.835 7.959 -25.406 315 1HG LYS 38 1HG LYS 38 5.319 9.364 -24.973 316 2HG LYS 38 2HG LYS 38 5.709 7.690 -25.316 317 1HD LYS 38 1HD LYS 38 3.586 8.711 -27.091 318 2HD LYS 38 2HD LYS 38 5.051 9.666 -27.207 319 1HE LYS 38 1HE LYS 38 6.081 7.091 -27.205 320 2HE LYS 38 2HE LYS 38 4.559 6.851 -28.038 321 1HZ LYS 38 2HZ LYS 38 6.563 8.877 -28.756 322 2HZ LYS 38 3HZ LYS 38 6.324 7.465 -29.540 323 3HZ LYS 38 1HZ LYS 38 5.160 8.609 -29.546 324 H PHE 39 H PHE 39 1.774 7.534 -22.052 325 HA PHE 39 HA PHE 39 -0.640 8.846 -23.021 326 1HB PHE 39 1HB PHE 39 -0.079 6.243 -22.770 327 2HB PHE 39 2HB PHE 39 -0.380 6.507 -21.063 328 HD1 PHE 39 HD1 PHE 39 -1.881 4.794 -23.252 329 HD2 PHE 39 HD2 PHE 39 -2.642 8.528 -21.385 330 HE1 PHE 39 HE1 PHE 39 -4.342 4.486 -23.640 331 HE2 PHE 39 HE2 PHE 39 -5.101 8.219 -21.772 332 HZ PHE 39 HZ PHE 39 -5.922 6.202 -22.893 333 H LEU 40 H LEU 40 0.493 10.753 -21.622 334 HA LEU 40 HA LEU 40 -0.444 10.464 -18.858 335 1HB LEU 40 1HB LEU 40 1.845 11.766 -20.134 336 2HB LEU 40 2HB LEU 40 0.998 12.810 -19.010 337 HG LEU 40 HG LEU 40 2.358 10.175 -18.455 338 1HD1 LEU 40 3HD1 LEU 40 2.821 13.036 -17.771 339 2HD1 LEU 40 1HD1 LEU 40 3.233 11.814 -16.544 340 3HD1 LEU 40 2HD1 LEU 40 3.978 11.739 -18.158 341 1HD2 LEU 40 2HD2 LEU 40 0.017 11.295 -17.109 342 2HD2 LEU 40 3HD2 LEU 40 0.750 9.678 -16.990 343 3HD2 LEU 40 1HD2 LEU 40 1.391 11.020 -16.013 344 H GLU 41 H GLU 41 -0.186 13.039 -21.419 345 HA GLU 41 HA GLU 41 -2.225 14.549 -20.286 346 1HB GLU 41 1HB GLU 41 -0.370 14.822 -22.386 347 2HB GLU 41 2HB GLU 41 -1.927 14.928 -23.183 348 1HG GLU 41 1HG GLU 41 -2.642 16.743 -21.710 349 2HG GLU 41 2HG GLU 41 -1.236 16.538 -20.684 350 H GLU 42 H GLU 42 -2.336 12.932 -23.543 351 HA GLU 42 HA GLU 42 -4.953 13.062 -23.966 352 1HB GLU 42 1HB GLU 42 -3.026 10.794 -24.596 353 2HB GLU 42 2HB GLU 42 -4.664 10.819 -25.217 354 1HG GLU 42 1HG GLU 42 -2.507 12.925 -25.699 355 2HG GLU 42 2HG GLU 42 -3.154 11.803 -26.882 356 H HIS 43 H HIS 43 -6.296 12.898 -22.121 357 HA HIS 43 HA HIS 43 -7.366 10.442 -21.571 358 1HB HIS 43 1HB HIS 43 -5.091 10.037 -20.536 359 2HB HIS 43 2HB HIS 43 -5.487 11.253 -19.338 360 HD1 HIS 43 HD1 HIS 43 -7.764 10.702 -17.876 361 HD2 HIS 43 HD2 HIS 43 -5.966 7.510 -19.916 362 HE1 HIS 43 HE1 HIS 43 -8.668 8.571 -16.806 363 HE2 HIS 43 HE2 HIS 43 -7.569 6.642 -18.136 364 HA PRO 44 HA PRO 44 -10.084 13.433 -19.977 365 1HB PRO 44 1HB PRO 44 -12.198 11.801 -19.396 366 2HB PRO 44 2HB PRO 44 -11.889 12.434 -21.000 367 1HG PRO 44 1HG PRO 44 -11.439 9.700 -19.970 368 2HG PRO 44 2HG PRO 44 -11.546 10.242 -21.634 369 1HD PRO 44 1HD PRO 44 -9.156 9.573 -20.196 370 2HD PRO 44 2HD PRO 44 -9.254 10.226 -21.819 371 H GLY 45 H GLY 45 -8.507 13.843 -18.244 372 1HA GLY 45 2HA GLY 45 -8.806 12.384 -15.816 373 2HA GLY 45 1HA GLY 45 -9.744 13.865 -15.777 374 H GLY 46 H GLY 46 -6.435 12.652 -16.658 375 1HA GLY 46 2HA GLY 46 -5.232 14.767 -15.092 376 2HA GLY 46 1HA GLY 46 -4.997 14.922 -16.821 377 H GLU 47 H GLU 47 -2.674 14.597 -16.454 378 HA GLU 47 HA GLU 47 -1.757 12.192 -17.132 379 1HB GLU 47 1HB GLU 47 -0.414 14.285 -15.371 380 2HB GLU 47 2HB GLU 47 0.446 12.922 -16.061 381 1HG GLU 47 1HG GLU 47 0.814 14.393 -17.793 382 2HG GLU 47 2HG GLU 47 -0.761 13.831 -18.322 383 H GLU 48 H GLU 48 -2.324 13.382 -13.770 384 HA GLU 48 HA GLU 48 -1.179 11.434 -12.338 385 1HB GLU 48 1HB GLU 48 -3.148 13.442 -11.909 386 2HB GLU 48 2HB GLU 48 -3.827 11.968 -11.247 387 1HG GLU 48 1HG GLU 48 -1.714 11.594 -9.943 388 2HG GLU 48 2HG GLU 48 -1.063 13.087 -10.586 389 H VAL 49 H VAL 49 -4.532 11.330 -13.738 390 HA VAL 49 HA VAL 49 -5.472 9.011 -12.863 391 HB VAL 49 HB VAL 49 -6.407 10.618 -14.585 392 1HG1 VAL 49 3HG1 VAL 49 -4.268 9.837 -16.117 393 2HG1 VAL 49 1HG1 VAL 49 -5.588 8.856 -16.801 394 3HG1 VAL 49 2HG1 VAL 49 -5.739 10.628 -16.736 395 1HG2 VAL 49 1HG2 VAL 49 -7.171 8.120 -13.875 396 2HG2 VAL 49 2HG2 VAL 49 -8.079 9.147 -15.010 397 3HG2 VAL 49 3HG2 VAL 49 -6.973 7.897 -15.630 398 H LEU 50 H LEU 50 -2.658 9.439 -14.984 399 HA LEU 50 HA LEU 50 -2.432 6.518 -15.156 400 1HB LEU 50 1HB LEU 50 -1.118 8.651 -16.846 401 2HB LEU 50 2HB LEU 50 -0.935 6.920 -17.041 402 HG LEU 50 HG LEU 50 -3.735 7.538 -17.101 403 1HD1 LEU 50 3HD1 LEU 50 -2.077 9.621 -18.244 404 2HD1 LEU 50 1HD1 LEU 50 -3.080 8.837 -19.488 405 3HD1 LEU 50 2HD1 LEU 50 -3.845 9.545 -18.046 406 1HD2 LEU 50 3HD2 LEU 50 -2.239 5.664 -18.173 407 2HD2 LEU 50 1HD2 LEU 50 -3.736 6.202 -18.969 408 3HD2 LEU 50 2HD2 LEU 50 -2.161 6.801 -19.539 409 H ARG 51 H ARG 51 -0.806 9.584 -14.237 410 HA ARG 51 HA ARG 51 1.627 8.413 -13.614 411 1HB ARG 51 1HB ARG 51 0.653 10.984 -13.714 412 2HB ARG 51 2HB ARG 51 0.736 10.762 -11.978 413 1HG ARG 51 1HG ARG 51 3.168 9.692 -13.074 414 2HG ARG 51 2HG ARG 51 2.902 11.243 -13.842 415 1HD ARG 51 1HD ARG 51 2.727 10.853 -10.819 416 2HD ARG 51 2HD ARG 51 4.213 11.299 -11.632 417 HE ARG 51 HE ARG 51 2.446 13.173 -12.599 418 1HH1 ARG 51 2HH1 ARG 51 1.966 15.188 -11.634 419 2HH1 ARG 51 1HH1 ARG 51 2.142 15.393 -9.923 420 1HH2 ARG 51 2HH2 ARG 51 3.231 12.093 -9.342 421 2HH2 ARG 51 1HH2 ARG 51 2.867 13.620 -8.611 422 H GLU 52 H GLU 52 -1.322 9.152 -11.647 423 HA GLU 52 HA GLU 52 -0.275 8.444 -9.203 424 1HB GLU 52 1HB GLU 52 -2.831 9.150 -10.304 425 2HB GLU 52 2HB GLU 52 -3.068 7.715 -9.328 426 1HG GLU 52 1HG GLU 52 -1.419 10.019 -8.245 427 2HG GLU 52 2HG GLU 52 -3.169 10.098 -8.189 428 H GLN 53 H GLN 53 -1.250 6.487 -11.951 429 HA GLN 53 HA GLN 53 -1.384 4.123 -10.293 430 1HB GLN 53 1HB GLN 53 -2.128 2.987 -12.371 431 2HB GLN 53 2HB GLN 53 -3.114 4.391 -12.017 432 1HG GLN 53 1HG GLN 53 -1.876 5.744 -13.661 433 2HG GLN 53 2HG GLN 53 -0.740 4.439 -13.937 434 1HE2 GLN 53 1HE2 GLN 53 -3.927 5.670 -14.496 435 2HE2 GLN 53 2HE2 GLN 53 -4.442 4.532 -15.696 436 H ALA 54 H ALA 54 0.759 5.880 -12.464 437 HA ALA 54 HA ALA 54 2.384 3.788 -13.320 438 1HB ALA 54 1HB ALA 54 2.219 6.409 -13.860 439 2HB ALA 54 3HB ALA 54 3.702 5.476 -14.167 440 3HB ALA 54 2HB ALA 54 3.564 6.470 -12.698 441 H GLY 55 H GLY 55 3.823 2.491 -12.282 442 1HA GLY 55 2HA GLY 55 4.652 3.321 -9.564 443 2HA GLY 55 1HA GLY 55 5.723 2.535 -10.707 444 H GLY 56 H GLY 56 3.046 1.007 -11.600 445 1HA GLY 56 2HA GLY 56 2.365 -0.650 -9.403 446 2HA GLY 56 1HA GLY 56 3.609 -1.414 -10.371 447 H ASP 57 H ASP 57 1.378 -2.840 -10.380 448 HA ASP 57 HA ASP 57 0.529 -2.642 -13.064 449 1HB ASP 57 1HB ASP 57 0.613 -4.860 -12.369 450 2HB ASP 57 2HB ASP 57 0.099 -4.483 -10.736 451 H ALA 58 H ALA 58 -1.124 -1.258 -13.716 452 HA ALA 58 HA ALA 58 -2.965 -0.257 -11.716 453 1HB ALA 58 1HB ALA 58 -1.689 1.018 -13.661 454 2HB ALA 58 2HB ALA 58 -3.068 0.456 -14.637 455 3HB ALA 58 3HB ALA 58 -3.347 1.480 -13.208 456 H THR 59 H THR 59 -2.731 -2.972 -13.704 457 HA THR 59 HA THR 59 -5.027 -3.327 -15.036 458 HB THR 59 HB THR 59 -3.866 -5.374 -13.082 459 HG1 THR 59 HG1 THR 59 -2.861 -3.888 -15.267 460 1HG2 THR 59 2HG2 THR 59 -5.252 -5.485 -15.799 461 2HG2 THR 59 3HG2 THR 59 -4.210 -6.810 -15.228 462 3HG2 THR 59 1HG2 THR 59 -5.675 -6.376 -14.317 463 H GLU 60 H GLU 60 -4.947 -4.675 -11.693 464 HA GLU 60 HA GLU 60 -7.515 -4.992 -11.305 465 1HB GLU 60 1HB GLU 60 -7.063 -4.251 -8.841 466 2HB GLU 60 2HB GLU 60 -6.136 -5.585 -9.499 467 1HG GLU 60 1HG GLU 60 -4.210 -4.455 -9.114 468 2HG GLU 60 2HG GLU 60 -4.733 -3.173 -10.186 469 H ASN 61 H ASN 61 -5.874 -1.848 -11.512 470 HA ASN 61 HA ASN 61 -8.036 -0.388 -10.447 471 1HB ASN 61 1HB ASN 61 -5.449 0.231 -10.841 472 2HB ASN 61 2HB ASN 61 -6.038 0.813 -12.385 473 1HD2 ASN 61 1HD2 ASN 61 -8.344 1.950 -12.022 474 2HD2 ASN 61 2HD2 ASN 61 -8.313 3.245 -10.873 475 H PHE 62 H PHE 62 -6.602 -0.733 -13.789 476 HA PHE 62 HA PHE 62 -8.586 0.629 -15.141 477 1HB PHE 62 1HB PHE 62 -7.020 0.084 -16.752 478 2HB PHE 62 2HB PHE 62 -6.248 -0.998 -15.611 479 HD1 PHE 62 HD1 PHE 62 -8.307 -0.759 -18.560 480 HD2 PHE 62 HD2 PHE 62 -6.953 -3.399 -15.527 481 HE1 PHE 62 HE1 PHE 62 -8.966 -2.725 -19.976 482 HE2 PHE 62 HE2 PHE 62 -7.612 -5.364 -16.942 483 HZ PHE 62 HZ PHE 62 -8.611 -5.003 -19.151 484 H GLU 63 H GLU 63 -8.772 -2.395 -13.486 485 HA GLU 63 HA GLU 63 -10.773 -3.469 -15.225 486 1HB GLU 63 1HB GLU 63 -9.177 -4.392 -12.916 487 2HB GLU 63 2HB GLU 63 -10.832 -4.965 -12.869 488 1HG GLU 63 1HG GLU 63 -10.127 -5.323 -15.557 489 2HG GLU 63 2HG GLU 63 -8.642 -5.708 -14.710 490 H ASP 64 H ASP 64 -10.546 -1.502 -12.295 491 HA ASP 64 HA ASP 64 -13.224 -1.993 -11.511 492 1HB ASP 64 1HB ASP 64 -10.975 -0.933 -10.296 493 2HB ASP 64 2HB ASP 64 -11.890 0.524 -10.625 494 H VAL 65 H VAL 65 -11.342 0.589 -13.215 495 HA VAL 65 HA VAL 65 -13.591 2.310 -13.517 496 HB VAL 65 HB VAL 65 -11.673 3.510 -13.540 497 1HG1 VAL 65 3HG1 VAL 65 -10.421 1.092 -14.824 498 2HG1 VAL 65 1HG1 VAL 65 -9.596 2.668 -14.888 499 3HG1 VAL 65 2HG1 VAL 65 -9.985 1.931 -13.315 500 1HG2 VAL 65 2HG2 VAL 65 -12.853 4.056 -15.618 501 2HG2 VAL 65 3HG2 VAL 65 -11.094 4.235 -15.818 502 3HG2 VAL 65 1HG2 VAL 65 -11.924 2.809 -16.485 503 H GLY 66 H GLY 66 -12.913 -0.700 -14.800 504 1HA GLY 66 2HA GLY 66 -14.956 -0.913 -16.526 505 2HA GLY 66 1HA GLY 66 -13.444 -1.778 -16.720 506 H HIS 67 H HIS 67 -11.573 -0.346 -17.739 507 HA HIS 67 HA HIS 67 -12.202 1.832 -19.317 508 1HB HIS 67 1HB HIS 67 -10.010 -0.235 -19.404 509 2HB HIS 67 2HB HIS 67 -10.103 1.031 -20.613 510 HD1 HIS 67 HD1 HIS 67 -8.978 0.359 -17.165 511 HD2 HIS 67 HD2 HIS 67 -9.854 3.732 -19.500 512 HE1 HIS 67 HE1 HIS 67 -7.941 2.353 -15.958 513 HE2 HIS 67 HE2 HIS 67 -8.465 4.389 -17.468 514 H SER 68 H SER 68 -11.651 1.557 -21.916 515 HA SER 68 HA SER 68 -13.721 -0.296 -22.781 516 1HB SER 68 1HB SER 68 -14.279 1.206 -24.488 517 2HB SER 68 2HB SER 68 -13.821 2.293 -23.193 518 HG SER 68 HG SER 68 -12.812 2.917 -25.182 519 H THR 69 H THR 69 -13.342 -1.633 -24.677 520 HA THR 69 HA THR 69 -10.865 -2.812 -24.831 521 HB THR 69 HB THR 69 -13.285 -2.630 -26.663 522 HG1 THR 69 HG1 THR 69 -13.401 -4.818 -25.800 523 1HG2 THR 69 2HG2 THR 69 -10.724 -4.261 -27.073 524 2HG2 THR 69 3HG2 THR 69 -12.271 -4.608 -27.884 525 3HG2 THR 69 1HG2 THR 69 -11.417 -3.081 -28.211 526 H ASP 70 H ASP 70 -11.910 0.242 -26.176 527 HA ASP 70 HA ASP 70 -9.960 0.277 -28.215 528 1HB ASP 70 1HB ASP 70 -12.075 1.649 -28.206 529 2HB ASP 70 2HB ASP 70 -11.445 2.579 -26.861 530 H ALA 71 H ALA 71 -10.348 1.677 -24.890 531 HA ALA 71 HA ALA 71 -8.007 3.168 -24.829 532 1HB ALA 71 3HB ALA 71 -8.324 3.116 -22.401 533 2HB ALA 71 1HB ALA 71 -9.897 3.307 -23.213 534 3HB ALA 71 2HB ALA 71 -9.424 1.724 -22.551 535 H ARG 72 H ARG 72 -8.660 -0.293 -24.023 536 HA ARG 72 HA ARG 72 -6.113 -0.789 -23.056 537 1HB ARG 72 1HB ARG 72 -7.932 -2.808 -24.453 538 2HB ARG 72 2HB ARG 72 -6.720 -3.153 -23.237 539 1HG ARG 72 1HG ARG 72 -8.007 -1.881 -21.542 540 2HG ARG 72 2HG ARG 72 -9.190 -1.424 -22.749 541 1HD ARG 72 1HD ARG 72 -9.390 -4.065 -23.119 542 2HD ARG 72 2HD ARG 72 -8.705 -4.141 -21.508 543 HE ARG 72 HE ARG 72 -10.875 -2.236 -21.575 544 1HH1 ARG 72 2HH1 ARG 72 -12.875 -2.774 -20.607 545 2HH1 ARG 72 1HH1 ARG 72 -13.256 -4.431 -20.274 546 1HH2 ARG 72 2HH2 ARG 72 -10.224 -5.693 -21.545 547 2HH2 ARG 72 1HH2 ARG 72 -11.738 -6.102 -20.812 548 H GLU 73 H GLU 73 -7.612 -1.104 -26.330 549 HA GLU 73 HA GLU 73 -5.431 -2.338 -27.522 550 1HB GLU 73 1HB GLU 73 -8.009 -1.388 -28.294 551 2HB GLU 73 2HB GLU 73 -6.867 -0.645 -29.395 552 1HG GLU 73 1HG GLU 73 -5.874 -2.890 -29.884 553 2HG GLU 73 2HG GLU 73 -7.015 -3.633 -28.781 554 H LEU 74 H LEU 74 -6.290 1.106 -26.973 555 HA LEU 74 HA LEU 74 -4.329 2.205 -28.636 556 1HB LEU 74 1HB LEU 74 -5.252 4.110 -28.006 557 2HB LEU 74 2HB LEU 74 -6.416 3.129 -27.138 558 HG LEU 74 HG LEU 74 -4.529 3.300 -25.229 559 1HD1 LEU 74 3HD1 LEU 74 -3.736 5.265 -27.198 560 2HD1 LEU 74 1HD1 LEU 74 -4.141 6.042 -25.648 561 3HD1 LEU 74 2HD1 LEU 74 -2.918 4.750 -25.702 562 1HD2 LEU 74 3HD2 LEU 74 -7.040 4.577 -25.821 563 2HD2 LEU 74 1HD2 LEU 74 -6.349 4.106 -24.251 564 3HD2 LEU 74 2HD2 LEU 74 -5.975 5.702 -24.944 565 H SER 75 H SER 75 -4.311 1.190 -25.175 566 HA SER 75 HA SER 75 -1.839 2.203 -24.555 567 1HB SER 75 1HB SER 75 -2.080 -0.216 -23.114 568 2HB SER 75 2HB SER 75 -2.558 1.382 -22.578 569 HG SER 75 HG SER 75 -4.672 1.031 -23.271 570 H LYS 76 H LYS 76 -2.770 -0.498 -26.587 571 HA LYS 76 HA LYS 76 -0.448 -2.052 -26.333 572 1HB LYS 76 1HB LYS 76 -2.891 -2.256 -27.627 573 2HB LYS 76 2HB LYS 76 -1.757 -2.120 -28.956 574 1HG LYS 76 1HG LYS 76 -0.624 -4.092 -28.384 575 2HG LYS 76 2HG LYS 76 -1.036 -3.969 -26.686 576 1HD LYS 76 1HD LYS 76 -2.897 -5.239 -26.964 577 2HD LYS 76 2HD LYS 76 -3.474 -4.215 -28.264 578 1HE LYS 76 1HE LYS 76 -2.269 -5.458 -29.934 579 2HE LYS 76 2HE LYS 76 -1.256 -6.244 -28.739 580 1HZ LYS 76 2HZ LYS 76 -4.126 -6.636 -28.563 581 2HZ LYS 76 3HZ LYS 76 -3.312 -7.432 -29.733 582 3HZ LYS 76 1HZ LYS 76 -2.914 -7.657 -28.166 583 H THR 77 H THR 77 -1.017 1.077 -27.684 584 HA THR 77 HA THR 77 1.220 0.863 -29.538 585 HB THR 77 HB THR 77 -1.149 2.116 -29.780 586 HG1 THR 77 HG1 THR 77 0.063 3.385 -31.338 587 1HG2 THR 77 3HG2 THR 77 0.609 3.963 -28.152 588 2HG2 THR 77 1HG2 THR 77 -0.338 4.662 -29.489 589 3HG2 THR 77 2HG2 THR 77 -1.165 3.819 -28.157 590 H PHE 78 H PHE 78 0.624 1.630 -26.227 591 HA PHE 78 HA PHE 78 3.072 3.231 -26.137 592 1HB PHE 78 1HB PHE 78 0.767 2.669 -24.176 593 2HB PHE 78 2HB PHE 78 2.147 3.668 -23.763 594 HD1 PHE 78 HD1 PHE 78 -0.592 3.412 -26.277 595 HD2 PHE 78 HD2 PHE 78 2.062 5.954 -24.156 596 HE1 PHE 78 HE1 PHE 78 -1.763 5.422 -27.221 597 HE2 PHE 78 HE2 PHE 78 0.891 7.964 -25.101 598 HZ PHE 78 HZ PHE 78 -1.006 7.674 -26.622 599 H ILE 79 H ILE 79 1.927 0.041 -25.739 600 HA ILE 79 HA ILE 79 3.178 -0.819 -23.439 601 HB ILE 79 HB ILE 79 2.237 -2.036 -25.968 602 1HG1 ILE 79 1HG1 ILE 79 1.658 -2.182 -23.045 603 2HG1 ILE 79 2HG1 ILE 79 0.563 -2.006 -24.401 604 1HG2 ILE 79 1HG2 ILE 79 4.460 -3.063 -25.712 605 2HG2 ILE 79 2HG2 ILE 79 4.027 -3.568 -24.061 606 3HG2 ILE 79 3HG2 ILE 79 3.141 -4.229 -25.456 607 1HD1 ILE 79 3HD1 ILE 79 1.176 -4.416 -25.061 608 2HD1 ILE 79 1HD1 ILE 79 1.973 -4.539 -23.475 609 3HD1 ILE 79 2HD1 ILE 79 0.222 -4.231 -23.570 610 H ILE 80 H ILE 80 5.260 -0.929 -22.794 611 HA ILE 80 HA ILE 80 7.286 -0.637 -24.896 612 HB ILE 80 HB ILE 80 8.609 -0.090 -22.616 613 1HG1 ILE 80 1HG1 ILE 80 5.848 1.042 -22.106 614 2HG1 ILE 80 2HG1 ILE 80 6.450 -0.404 -21.322 615 1HG2 ILE 80 3HG2 ILE 80 7.123 1.602 -24.587 616 2HG2 ILE 80 1HG2 ILE 80 7.892 2.378 -23.181 617 3HG2 ILE 80 2HG2 ILE 80 8.873 1.423 -24.318 618 1HD1 ILE 80 1HD1 ILE 80 8.458 0.945 -20.527 619 2HD1 ILE 80 2HD1 ILE 80 7.650 2.396 -21.168 620 3HD1 ILE 80 3HD1 ILE 80 6.898 1.468 -19.848 621 H GLY 81 H GLY 81 6.051 -2.634 -22.242 622 1HA GLY 81 2HA GLY 81 8.179 -4.233 -21.618 623 2HA GLY 81 1HA GLY 81 7.605 -4.868 -23.147 624 H GLU 82 H GLU 82 7.525 -6.106 -20.425 625 HA GLU 82 HA GLU 82 4.753 -6.005 -19.720 626 1HB GLU 82 1HB GLU 82 5.702 -8.781 -20.323 627 2HB GLU 82 2HB GLU 82 4.087 -8.110 -20.423 628 1HG GLU 82 1HG GLU 82 4.728 -6.845 -22.477 629 2HG GLU 82 2HG GLU 82 6.356 -7.484 -22.372 630 H LEU 83 H LEU 83 4.320 -7.504 -17.773 631 HA LEU 83 HA LEU 83 6.480 -7.156 -15.942 632 1HB LEU 83 1HB LEU 83 3.963 -6.896 -15.547 633 2HB LEU 83 2HB LEU 83 3.912 -8.646 -15.450 634 HG LEU 83 HG LEU 83 4.278 -8.392 -13.268 635 1HD1 LEU 83 3HD1 LEU 83 6.481 -9.189 -13.939 636 2HD1 LEU 83 1HD1 LEU 83 7.045 -7.513 -14.137 637 3HD1 LEU 83 2HD1 LEU 83 6.599 -8.117 -12.523 638 1HD2 LEU 83 3HD2 LEU 83 3.750 -5.905 -13.676 639 2HD2 LEU 83 1HD2 LEU 83 4.582 -6.358 -12.169 640 3HD2 LEU 83 2HD2 LEU 83 5.506 -5.654 -13.518 641 H HIS 84 H HIS 84 8.066 -8.570 -15.418 642 HA HIS 84 HA HIS 84 8.179 -11.035 -16.821 643 1HB HIS 84 1HB HIS 84 9.989 -9.286 -15.589 644 2HB HIS 84 2HB HIS 84 10.088 -10.759 -14.642 645 HD1 HIS 84 HD1 HIS 84 9.325 -11.038 -18.316 646 HD2 HIS 84 HD2 HIS 84 12.632 -11.343 -15.754 647 HE1 HIS 84 HE1 HIS 84 11.198 -12.090 -19.691 648 HE2 HIS 84 HE2 HIS 84 13.220 -12.202 -18.081 649 HA PRO 85 HA PRO 85 6.891 -13.787 -13.712 650 1HB PRO 85 1HB PRO 85 8.901 -15.577 -13.238 651 2HB PRO 85 2HB PRO 85 7.861 -15.654 -14.647 652 1HG PRO 85 1HG PRO 85 10.670 -14.751 -14.465 653 2HG PRO 85 2HG PRO 85 9.763 -15.234 -15.883 654 1HD PRO 85 1HD PRO 85 10.411 -12.555 -15.089 655 2HD PRO 85 2HD PRO 85 9.407 -13.033 -16.444 656 H ASP 86 H ASP 86 8.903 -11.466 -12.894 657 HA ASP 86 HA ASP 86 9.633 -12.385 -10.322 658 1HB ASP 86 1HB ASP 86 11.083 -10.698 -10.901 659 2HB ASP 86 2HB ASP 86 9.917 -9.929 -11.960 660 H ASP 87 H ASP 87 6.842 -10.886 -11.849 661 HA ASP 87 HA ASP 87 5.372 -11.068 -9.457 662 1HB ASP 87 1HB ASP 87 6.292 -8.370 -10.459 663 2HB ASP 87 2HB ASP 87 4.678 -8.494 -9.787 664 H ARG 88 H ARG 88 5.059 -12.318 -11.923 665 HA ARG 88 HA ARG 88 3.383 -10.752 -13.598 666 1HB ARG 88 1HB ARG 88 4.756 -13.345 -13.707 667 2HB ARG 88 2HB ARG 88 3.114 -13.495 -14.302 668 1HG ARG 88 1HG ARG 88 3.461 -11.975 -16.069 669 2HG ARG 88 2HG ARG 88 4.774 -11.155 -15.249 670 1HD ARG 88 1HD ARG 88 6.063 -12.382 -16.720 671 2HD ARG 88 2HD ARG 88 5.918 -13.607 -15.475 672 HE ARG 88 HE ARG 88 4.538 -13.580 -18.083 673 1HH1 ARG 88 2HH1 ARG 88 3.431 -15.485 -18.686 674 2HH1 ARG 88 1HH1 ARG 88 3.145 -16.728 -17.513 675 1HH2 ARG 88 2HH2 ARG 88 4.728 -15.013 -14.876 676 2HH2 ARG 88 1HH2 ARG 88 3.889 -16.457 -15.331 677 H SER 89 H SER 89 2.718 -14.119 -12.447 678 HA SER 89 HA SER 89 -0.013 -13.730 -12.412 679 1HB SER 89 1HB SER 89 1.272 -15.933 -12.498 680 2HB SER 89 2HB SER 89 1.543 -15.777 -10.775 681 HG SER 89 HG SER 89 -0.978 -16.071 -12.153 682 H LYS 90 H LYS 90 2.340 -12.436 -10.350 683 HA LYS 90 HA LYS 90 0.791 -12.599 -7.927 684 1HB LYS 90 1HB LYS 90 3.510 -11.821 -8.712 685 2HB LYS 90 2HB LYS 90 2.809 -10.748 -7.516 686 1HG LYS 90 1HG LYS 90 2.196 -13.542 -6.879 687 2HG LYS 90 2HG LYS 90 3.925 -13.319 -7.063 688 1HD LYS 90 1HD LYS 90 4.090 -11.915 -5.226 689 2HD LYS 90 2HD LYS 90 2.510 -11.202 -5.487 690 1HE LYS 90 1HE LYS 90 1.730 -13.738 -4.864 691 2HE LYS 90 2HE LYS 90 3.245 -13.695 -3.985 692 1HZ LYS 90 2HZ LYS 90 1.225 -11.582 -3.745 693 2HZ LYS 90 3HZ LYS 90 1.273 -12.881 -2.756 694 3HZ LYS 90 1HZ LYS 90 2.523 -11.830 -2.785 695 H ILE 91 H ILE 91 0.486 -10.909 -10.793 696 HA ILE 91 HA ILE 91 -1.123 -8.904 -9.459 697 HB ILE 91 HB ILE 91 -0.027 -7.054 -10.124 698 1HG1 ILE 91 1HG1 ILE 91 0.941 -8.658 -12.488 699 2HG1 ILE 91 2HG1 ILE 91 -0.135 -7.276 -12.469 700 1HG2 ILE 91 2HG2 ILE 91 2.212 -9.091 -9.988 701 2HG2 ILE 91 3HG2 ILE 91 2.432 -7.327 -9.907 702 3HG2 ILE 91 1HG2 ILE 91 1.508 -8.167 -8.639 703 1HD1 ILE 91 1HD1 ILE 91 1.929 -6.010 -11.398 704 2HD1 ILE 91 2HD1 ILE 91 2.866 -7.349 -12.103 705 3HD1 ILE 91 3HD1 ILE 91 1.887 -6.298 -13.155 706 H THR 92 H THR 92 0.117 -10.396 -12.499 707 HA THR 92 HA THR 92 -1.525 -9.530 -14.391 708 HB THR 92 HB THR 92 0.180 -11.605 -14.163 709 HG1 THR 92 HG1 THR 92 -2.169 -11.429 -15.919 710 1HG2 THR 92 3HG2 THR 92 -1.817 -12.908 -12.966 711 2HG2 THR 92 1HG2 THR 92 -2.446 -13.056 -14.624 712 3HG2 THR 92 2HG2 THR 92 -0.853 -13.734 -14.213 713 H LYS 93 H LYS 93 -3.627 -9.683 -15.128 714 HA LYS 93 HA LYS 93 -5.652 -9.588 -13.377 715 1HB LYS 93 1HB LYS 93 -5.662 -9.104 -15.864 716 2HB LYS 93 2HB LYS 93 -5.915 -10.817 -16.133 717 1HG LYS 93 1HG LYS 93 -7.736 -9.549 -14.125 718 2HG LYS 93 2HG LYS 93 -7.948 -9.010 -15.779 719 1HD LYS 93 1HD LYS 93 -7.825 -11.660 -16.272 720 2HD LYS 93 2HD LYS 93 -8.358 -11.756 -14.606 721 1HE LYS 93 1HE LYS 93 -10.477 -11.204 -15.201 722 2HE LYS 93 2HE LYS 93 -9.923 -9.718 -15.944 723 1HZ LYS 93 3HZ LYS 93 -9.190 -11.730 -17.647 724 2HZ LYS 93 1HZ LYS 93 -10.711 -12.100 -17.186 725 3HZ LYS 93 2HZ LYS 93 -10.394 -10.650 -17.865 726 HA PRO 94 HA PRO 94 -5.593 -13.733 -11.886 727 1HB PRO 94 1HB PRO 94 -6.878 -13.227 -9.529 728 2HB PRO 94 2HB PRO 94 -5.140 -13.111 -9.716 729 1HG PRO 94 1HG PRO 94 -7.131 -10.935 -9.523 730 2HG PRO 94 2HG PRO 94 -5.396 -10.860 -9.286 731 1HD PRO 94 1HD PRO 94 -6.853 -9.972 -11.591 732 2HD PRO 94 2HD PRO 94 -5.111 -10.005 -11.400 733 H SER 95 H SER 95 -8.486 -11.782 -11.293 734 HA SER 95 HA SER 95 -10.021 -13.150 -13.097 735 1HB SER 95 1HB SER 95 -9.526 -14.782 -10.856 736 2HB SER 95 2HB SER 95 -11.127 -14.136 -10.561 737 HG SER 95 HG SER 95 -10.236 -15.575 -12.909 738 H GLU 96 H GLU 96 -12.519 -12.781 -12.529 739 HA GLU 96 HA GLU 96 -12.633 -10.240 -11.101 740 1HB GLU 96 1HB GLU 96 -14.400 -9.544 -12.628 741 2HB GLU 96 2HB GLU 96 -13.020 -10.072 -13.569 742 1HG GLU 96 1HG GLU 96 -14.071 -12.261 -13.981 743 2HG GLU 96 2HG GLU 96 -15.399 -11.868 -12.907 744 H SER 97 H SER 97 -15.101 -9.777 -10.422 745 HA SER 97 HA SER 97 -16.225 -12.279 -9.457 746 1HB SER 97 1HB SER 97 -14.822 -10.633 -7.785 747 2HB SER 97 2HB SER 97 -16.413 -9.913 -7.635 748 HG SER 97 HG SER 97 -17.114 -12.305 -7.318 749 H ILE 98 H ILE 98 -18.581 -11.983 -8.743 750 HA ILE 98 HA ILE 98 -19.806 -9.733 -10.179 751 HB ILE 98 HB ILE 98 -20.566 -12.649 -10.241 752 1HG1 ILE 98 1HG1 ILE 98 -20.514 -11.237 -12.769 753 2HG1 ILE 98 2HG1 ILE 98 -18.984 -11.045 -11.936 754 1HG2 ILE 98 1HG2 ILE 98 -22.235 -10.224 -10.626 755 2HG2 ILE 98 2HG2 ILE 98 -22.412 -11.523 -11.831 756 3HG2 ILE 98 3HG2 ILE 98 -22.684 -11.867 -10.107 757 1HD1 ILE 98 1HD1 ILE 98 -20.100 -13.801 -11.819 758 2HD1 ILE 98 2HD1 ILE 98 -19.650 -13.240 -13.449 759 3HD1 ILE 98 3HD1 ILE 98 -18.436 -13.258 -12.147 760 H ILE 99 H ILE 99 -21.663 -8.822 -9.207 761 HA ILE 99 HA ILE 99 -22.060 -9.730 -6.441 762 HB ILE 99 HB ILE 99 -22.749 -7.417 -5.977 763 1HG1 ILE 99 1HG1 ILE 99 -21.657 -6.614 -8.670 764 2HG1 ILE 99 2HG1 ILE 99 -23.353 -7.004 -8.464 765 1HG2 ILE 99 1HG2 ILE 99 -19.985 -7.974 -7.044 766 2HG2 ILE 99 2HG2 ILE 99 -20.413 -6.405 -6.319 767 3HG2 ILE 99 3HG2 ILE 99 -20.548 -7.895 -5.357 768 1HD1 ILE 99 3HD1 ILE 99 -21.944 -5.014 -6.643 769 2HD1 ILE 99 1HD1 ILE 99 -22.695 -4.527 -8.182 770 3HD1 ILE 99 2HD1 ILE 99 -23.694 -5.232 -6.888 771 H THR 100 H THR 100 -24.408 -8.795 -5.692 772 HA THR 100 HA THR 100 -26.291 -9.665 -7.786 773 HB THR 100 HB THR 100 -26.347 -10.211 -4.769 774 HG1 THR 100 HG1 THR 100 -24.768 -11.437 -6.054 775 1HG2 THR 100 2HG2 THR 100 -28.370 -10.443 -6.903 776 2HG2 THR 100 3HG2 THR 100 -27.986 -12.024 -6.180 777 3HG2 THR 100 1HG2 THR 100 -28.557 -10.690 -5.149 778 H THR 101 H THR 101 -28.354 -8.659 -7.836 779 HA THR 101 HA THR 101 -28.319 -6.036 -6.498 780 HB THR 101 HB THR 101 -29.525 -5.228 -8.450 781 HG1 THR 101 HG1 THR 101 -29.468 -8.024 -9.316 782 1HG2 THR 101 3HG2 THR 101 -27.015 -6.647 -8.790 783 2HG2 THR 101 1HG2 THR 101 -28.031 -6.930 -10.223 784 3HG2 THR 101 2HG2 THR 101 -27.633 -5.267 -9.728 785 H ILE 102 H ILE 102 -30.741 -5.150 -6.384 786 HA ILE 102 HA ILE 102 -32.013 -6.972 -4.573 787 HB ILE 102 HB ILE 102 -33.555 -5.117 -4.192 788 1HG1 ILE 102 1HG1 ILE 102 -32.094 -3.141 -5.789 789 2HG1 ILE 102 2HG1 ILE 102 -32.918 -4.333 -6.774 790 1HG2 ILE 102 1HG2 ILE 102 -30.619 -4.365 -4.182 791 2HG2 ILE 102 2HG2 ILE 102 -31.901 -3.518 -3.281 792 3HG2 ILE 102 3HG2 ILE 102 -31.516 -5.213 -2.899 793 1HD1 ILE 102 3HD1 ILE 102 -34.287 -2.879 -4.471 794 2HD1 ILE 102 1HD1 ILE 102 -34.310 -2.287 -6.148 795 3HD1 ILE 102 2HD1 ILE 102 -35.054 -3.854 -5.748 796 H ASP 103 H ASP 103 -34.663 -6.822 -4.842 797 HA ASP 103 HA ASP 103 -35.327 -8.662 -6.626 798 1HB ASP 103 1HB ASP 103 -36.907 -7.857 -4.959 799 2HB ASP 103 2HB ASP 103 -36.943 -6.259 -5.677 800 H SER 104 H SER 104 -35.701 -8.764 -8.879 801 HA SER 104 HA SER 104 -36.602 -6.736 -10.439 802 1HB SER 104 1HB SER 104 -34.707 -5.363 -10.191 803 2HB SER 104 2HB SER 104 -33.600 -6.719 -10.115 804 HG SER 104 HG SER 104 -33.342 -6.610 -12.234 No H/Q in entry = 804 Start of MODEL 10 1 H ALA 1 H ALA 1 30.232 -1.231 -34.506 2 HA ALA 1 HA ALA 1 31.086 0.572 -33.515 3 1HB ALA 1 3HB ALA 1 29.409 1.298 -35.496 4 2HB ALA 1 1HB ALA 1 28.625 2.150 -34.143 5 3HB ALA 1 2HB ALA 1 30.329 2.484 -34.539 6 H GLU 2 H GLU 2 27.520 0.714 -32.790 7 HA GLU 2 HA GLU 2 27.720 0.111 -30.160 8 1HB GLU 2 1HB GLU 2 28.949 2.602 -30.542 9 2HB GLU 2 2HB GLU 2 27.351 3.026 -29.963 10 1HG GLU 2 1HG GLU 2 27.908 2.413 -27.853 11 2HG GLU 2 2HG GLU 2 28.301 0.793 -28.393 12 H GLU 3 H GLU 3 25.750 -0.881 -30.958 13 HA GLU 3 HA GLU 3 23.478 0.501 -30.285 14 1HB GLU 3 1HB GLU 3 22.382 0.837 -32.486 15 2HB GLU 3 2HB GLU 3 23.813 1.834 -32.322 16 1HG GLU 3 1HG GLU 3 25.022 -0.267 -33.460 17 2HG GLU 3 2HG GLU 3 23.403 -0.628 -34.026 18 H SER 4 H SER 4 22.000 -1.067 -29.750 19 HA SER 4 HA SER 4 21.355 -3.197 -31.342 20 1HB SER 4 1HB SER 4 22.412 -5.102 -30.127 21 2HB SER 4 2HB SER 4 23.591 -4.099 -30.947 22 HG SER 4 HG SER 4 23.823 -2.959 -28.796 23 H SER 5 H SER 5 19.454 -4.127 -30.517 24 HA SER 5 HA SER 5 17.733 -4.395 -29.222 25 1HB SER 5 1HB SER 5 20.013 -4.653 -27.338 26 2HB SER 5 2HB SER 5 18.487 -4.283 -26.560 27 HG SER 5 HG SER 5 17.537 -6.138 -27.582 28 H LYS 6 H LYS 6 16.105 -3.189 -28.015 29 HA LYS 6 HA LYS 6 16.589 -0.904 -26.556 30 1HB LYS 6 1HB LYS 6 17.284 -0.353 -29.147 31 2HB LYS 6 2HB LYS 6 15.608 0.154 -29.132 32 1HG LYS 6 1HG LYS 6 16.091 1.490 -27.024 33 2HG LYS 6 2HG LYS 6 17.782 1.067 -27.192 34 1HD LYS 6 1HD LYS 6 17.964 2.238 -29.310 35 2HD LYS 6 2HD LYS 6 16.226 2.434 -29.428 36 1HE LYS 6 1HE LYS 6 16.776 4.535 -28.604 37 2HE LYS 6 2HE LYS 6 16.533 3.699 -27.084 38 1HZ LYS 6 3HZ LYS 6 19.164 3.783 -28.365 39 2HZ LYS 6 1HZ LYS 6 18.658 4.977 -27.372 40 3HZ LYS 6 2HZ LYS 6 18.809 3.454 -26.805 41 H ALA 7 H ALA 7 14.985 -2.468 -25.589 42 HA ALA 7 HA ALA 7 12.445 -1.410 -25.677 43 1HB ALA 7 1HB ALA 7 12.096 -4.062 -26.928 44 2HB ALA 7 2HB ALA 7 11.264 -2.523 -27.258 45 3HB ALA 7 3HB ALA 7 12.851 -2.855 -27.995 46 H VAL 8 H VAL 8 12.254 -1.671 -23.494 47 HA VAL 8 HA VAL 8 13.387 -3.412 -21.856 48 HB VAL 8 HB VAL 8 12.123 -2.048 -20.631 49 1HG1 VAL 8 3HG1 VAL 8 10.432 -1.945 -23.078 50 2HG1 VAL 8 1HG1 VAL 8 9.653 -1.490 -21.543 51 3HG1 VAL 8 2HG1 VAL 8 11.111 -0.627 -22.092 52 1HG2 VAL 8 2HG2 VAL 8 11.264 -4.358 -20.090 53 2HG2 VAL 8 3HG2 VAL 8 10.161 -3.025 -19.671 54 3HG2 VAL 8 1HG2 VAL 8 9.860 -4.005 -21.126 55 H LYS 9 H LYS 9 10.035 -4.100 -23.090 56 HA LYS 9 HA LYS 9 9.170 -5.996 -23.884 57 1HB LYS 9 1HB LYS 9 11.846 -6.420 -24.435 58 2HB LYS 9 2HB LYS 9 11.435 -7.817 -23.460 59 1HG LYS 9 1HG LYS 9 9.490 -8.300 -24.940 60 2HG LYS 9 2HG LYS 9 9.850 -6.879 -25.899 61 1HD LYS 9 1HD LYS 9 12.298 -8.182 -25.912 62 2HD LYS 9 2HD LYS 9 11.188 -9.537 -25.877 63 1HE LYS 9 1HE LYS 9 10.159 -7.606 -27.764 64 2HE LYS 9 2HE LYS 9 11.861 -7.837 -28.111 65 1HZ LYS 9 2HZ LYS 9 11.262 -10.305 -27.864 66 2HZ LYS 9 3HZ LYS 9 9.726 -9.815 -28.122 67 3HZ LYS 9 1HZ LYS 9 10.874 -9.531 -29.249 68 H TYR 10 H TYR 10 11.449 -6.533 -21.114 69 HA TYR 10 HA TYR 10 9.150 -7.578 -19.625 70 1HB TYR 10 1HB TYR 10 11.519 -8.928 -18.778 71 2HB TYR 10 2HB TYR 10 10.224 -9.640 -19.719 72 HD1 TYR 10 HD1 TYR 10 10.507 -10.144 -22.048 73 HD2 TYR 10 HD2 TYR 10 13.524 -7.959 -19.942 74 HE1 TYR 10 HE1 TYR 10 12.110 -10.466 -23.995 75 HE2 TYR 10 HE2 TYR 10 15.116 -8.288 -21.895 76 HH TYR 10 HH TYR 10 14.481 -10.508 -24.383 77 H TYR 11 H TYR 11 8.883 -6.444 -17.773 78 HA TYR 11 HA TYR 11 11.307 -5.290 -16.565 79 1HB TYR 11 1HB TYR 11 8.682 -4.201 -17.494 80 2HB TYR 11 2HB TYR 11 9.024 -3.767 -15.829 81 HD1 TYR 11 HD1 TYR 11 9.020 -1.385 -16.634 82 HD2 TYR 11 HD2 TYR 11 11.922 -4.232 -17.968 83 HE1 TYR 11 HE1 TYR 11 10.517 0.507 -17.437 84 HE2 TYR 11 HE2 TYR 11 13.408 -2.331 -18.768 85 HH TYR 11 HH TYR 11 13.166 -0.033 -19.473 86 H THR 12 H THR 12 10.950 -4.738 -14.176 87 HA THR 12 HA THR 12 9.367 -6.908 -12.973 88 HB THR 12 HB THR 12 11.045 -6.795 -11.155 89 HG1 THR 12 HG1 THR 12 12.792 -5.163 -11.560 90 1HG2 THR 12 3HG2 THR 12 11.798 -7.289 -13.951 91 2HG2 THR 12 1HG2 THR 12 13.171 -6.637 -13.026 92 3HG2 THR 12 2HG2 THR 12 12.357 -8.123 -12.479 93 H LEU 13 H LEU 13 8.239 -6.491 -10.969 94 HA LEU 13 HA LEU 13 6.568 -4.358 -11.073 95 1HB LEU 13 1HB LEU 13 7.285 -6.422 -9.169 96 2HB LEU 13 2HB LEU 13 6.842 -4.937 -8.352 97 HG LEU 13 HG LEU 13 5.166 -6.605 -10.232 98 1HD1 LEU 13 1HD1 LEU 13 5.197 -6.016 -7.317 99 2HD1 LEU 13 2HD1 LEU 13 3.606 -6.144 -8.104 100 3HD1 LEU 13 3HD1 LEU 13 4.754 -7.501 -8.193 101 1HD2 LEU 13 2HD2 LEU 13 5.097 -3.735 -9.924 102 2HD2 LEU 13 3HD2 LEU 13 4.131 -4.791 -10.983 103 3HD2 LEU 13 1HD2 LEU 13 3.591 -4.466 -9.317 104 H GLU 14 H GLU 14 9.803 -4.567 -9.522 105 HA GLU 14 HA GLU 14 9.602 -2.070 -8.281 106 1HB GLU 14 1HB GLU 14 11.439 -4.212 -8.347 107 2HB GLU 14 2HB GLU 14 12.343 -2.847 -8.968 108 1HG GLU 14 1HG GLU 14 12.264 -1.693 -6.964 109 2HG GLU 14 2HG GLU 14 10.656 -2.267 -6.569 110 H GLU 15 H GLU 15 11.184 -3.177 -11.356 111 HA GLU 15 HA GLU 15 12.285 -0.835 -12.118 112 1HB GLU 15 1HB GLU 15 12.464 -3.070 -13.282 113 2HB GLU 15 2HB GLU 15 10.872 -2.809 -13.967 114 1HG GLU 15 1HG GLU 15 11.759 -1.552 -15.629 115 2HG GLU 15 2HG GLU 15 12.429 -0.433 -14.459 116 H ILE 16 H ILE 16 8.853 -1.844 -12.287 117 HA ILE 16 HA ILE 16 8.122 0.494 -13.798 118 HB ILE 16 HB ILE 16 6.328 -1.508 -12.434 119 1HG1 ILE 16 1HG1 ILE 16 6.738 -1.941 -15.281 120 2HG1 ILE 16 2HG1 ILE 16 8.243 -2.093 -14.396 121 1HG2 ILE 16 2HG2 ILE 16 5.615 0.829 -13.532 122 2HG2 ILE 16 3HG2 ILE 16 5.628 -0.180 -14.999 123 3HG2 ILE 16 1HG2 ILE 16 4.604 -0.635 -13.616 124 1HD1 ILE 16 3HD1 ILE 16 6.389 -3.419 -12.753 125 2HD1 ILE 16 1HD1 ILE 16 5.907 -3.870 -14.406 126 3HD1 ILE 16 2HD1 ILE 16 7.565 -4.189 -13.845 127 H GLN 17 H GLN 17 8.234 -0.615 -10.413 128 HA GLN 17 HA GLN 17 6.572 1.386 -9.410 129 1HB GLN 17 1HB GLN 17 7.673 -0.858 -8.369 130 2HB GLN 17 2HB GLN 17 8.806 0.309 -7.717 131 1HG GLN 17 1HG GLN 17 6.066 1.287 -7.417 132 2HG GLN 17 2HG GLN 17 6.216 -0.316 -6.724 133 1HE2 GLN 17 1HE2 GLN 17 7.641 -0.707 -5.035 134 2HE2 GLN 17 2HE2 GLN 17 8.305 0.552 -4.049 135 H LYS 18 H LYS 18 10.044 1.238 -10.229 136 HA LYS 18 HA LYS 18 10.752 3.604 -8.850 137 1HB LYS 18 1HB LYS 18 12.125 2.209 -11.167 138 2HB LYS 18 2HB LYS 18 12.837 3.430 -10.132 139 1HG LYS 18 1HG LYS 18 11.627 0.945 -8.889 140 2HG LYS 18 2HG LYS 18 13.223 0.860 -9.606 141 1HD LYS 18 1HD LYS 18 12.380 2.833 -7.430 142 2HD LYS 18 2HD LYS 18 13.312 1.375 -7.158 143 1HE LYS 18 1HE LYS 18 15.237 2.439 -7.722 144 2HE LYS 18 2HE LYS 18 14.579 2.889 -9.283 145 1HZ LYS 18 2HZ LYS 18 13.321 4.593 -7.719 146 2HZ LYS 18 3HZ LYS 18 14.693 4.418 -6.852 147 3HZ LYS 18 1HZ LYS 18 14.767 4.920 -8.404 148 H HIS 19 H HIS 19 9.303 2.856 -12.000 149 HA HIS 19 HA HIS 19 9.649 5.632 -12.804 150 1HB HIS 19 1HB HIS 19 8.981 3.076 -14.225 151 2HB HIS 19 2HB HIS 19 8.455 4.594 -14.924 152 HD1 HIS 19 HD1 HIS 19 10.058 4.680 -16.899 153 HD2 HIS 19 HD2 HIS 19 12.008 4.150 -13.223 154 HE1 HIS 19 HE1 HIS 19 12.554 4.934 -17.369 155 HE2 HIS 19 HE2 HIS 19 13.696 4.654 -15.064 156 H ASN 20 H ASN 20 8.193 6.778 -11.508 157 HA ASN 20 HA ASN 20 5.439 6.290 -12.204 158 1HB ASN 20 1HB ASN 20 5.571 5.092 -10.093 159 2HB ASN 20 2HB ASN 20 6.538 6.352 -9.355 160 1HD2 ASN 20 1HD2 ASN 20 3.795 6.930 -11.471 161 2HD2 ASN 20 2HD2 ASN 20 2.720 7.604 -10.292 162 H ASN 21 H ASN 21 7.624 8.295 -12.799 163 HA ASN 21 HA ASN 21 6.549 10.609 -11.404 164 1HB ASN 21 1HB ASN 21 9.105 10.367 -13.076 165 2HB ASN 21 2HB ASN 21 8.630 11.770 -12.140 166 1HD2 ASN 21 1HD2 ASN 21 8.129 11.313 -9.790 167 2HD2 ASN 21 2HD2 ASN 21 9.220 10.280 -8.928 168 H SER 22 H SER 22 6.258 12.622 -12.817 169 HA SER 22 HA SER 22 4.692 12.084 -14.990 170 1HB SER 22 1HB SER 22 4.760 14.490 -15.426 171 2HB SER 22 2HB SER 22 4.685 14.213 -13.698 172 HG SER 22 HG SER 22 7.078 14.805 -15.223 173 H LYS 23 H LYS 23 8.136 12.001 -14.691 174 HA LYS 23 HA LYS 23 8.501 12.399 -17.564 175 1HB LYS 23 1HB LYS 23 9.915 13.622 -15.834 176 2HB LYS 23 2HB LYS 23 10.643 12.075 -15.450 177 1HG LYS 23 1HG LYS 23 10.884 12.000 -18.165 178 2HG LYS 23 2HG LYS 23 10.905 13.737 -17.935 179 1HD LYS 23 1HD LYS 23 12.607 12.676 -15.909 180 2HD LYS 23 2HD LYS 23 13.000 11.786 -17.366 181 1HE LYS 23 1HE LYS 23 14.408 13.669 -17.541 182 2HE LYS 23 2HE LYS 23 13.047 14.136 -18.541 183 1HZ LYS 23 1HZ LYS 23 12.690 14.804 -15.800 184 2HZ LYS 23 2HZ LYS 23 13.994 15.533 -16.459 185 3HZ LYS 23 3HZ LYS 23 12.519 15.738 -17.128 186 H SER 24 H SER 24 8.492 9.989 -14.967 187 HA SER 24 HA SER 24 9.032 8.002 -17.027 188 1HB SER 24 1HB SER 24 9.913 6.721 -14.778 189 2HB SER 24 2HB SER 24 10.962 7.582 -15.885 190 HG SER 24 HG SER 24 11.222 8.183 -13.590 191 H THR 25 H THR 25 6.600 8.047 -17.144 192 HA THR 25 HA THR 25 5.303 6.860 -14.800 193 HB THR 25 HB THR 25 3.871 7.782 -17.302 194 HG1 THR 25 HG1 THR 25 4.063 9.938 -15.934 195 1HG2 THR 25 3HG2 THR 25 3.388 7.745 -14.301 196 2HG2 THR 25 1HG2 THR 25 2.515 8.910 -15.327 197 3HG2 THR 25 2HG2 THR 25 2.325 7.161 -15.605 198 H TRP 26 H TRP 26 5.883 4.710 -14.809 199 HA TRP 26 HA TRP 26 5.115 3.258 -17.249 200 1HB TRP 26 1HB TRP 26 7.460 3.061 -15.470 201 2HB TRP 26 2HB TRP 26 6.722 1.530 -15.894 202 HD1 TRP 26 HD1 TRP 26 7.651 0.524 -18.116 203 HE1 TRP 26 HE1 TRP 26 8.866 1.349 -20.309 204 HE3 TRP 26 HE3 TRP 26 7.482 5.477 -16.977 205 HZ2 TRP 26 HZ2 TRP 26 9.604 3.922 -21.298 206 HZ3 TRP 26 HZ3 TRP 26 8.471 7.080 -18.610 207 HH2 TRP 26 HH2 TRP 26 9.506 6.372 -20.709 208 H LEU 27 H LEU 27 3.628 1.571 -16.999 209 HA LEU 27 HA LEU 27 2.949 0.744 -14.303 210 1HB LEU 27 1HB LEU 27 0.812 1.482 -14.243 211 2HB LEU 27 2HB LEU 27 1.572 2.810 -15.099 212 HG LEU 27 HG LEU 27 -0.368 2.479 -16.308 213 1HD1 LEU 27 3HD1 LEU 27 1.948 2.085 -17.598 214 2HD1 LEU 27 1HD1 LEU 27 1.143 0.544 -17.982 215 3HD1 LEU 27 2HD1 LEU 27 0.367 2.086 -18.413 216 1HD2 LEU 27 2HD2 LEU 27 -0.556 0.076 -15.054 217 2HD2 LEU 27 3HD2 LEU 27 -1.627 0.618 -16.368 218 3HD2 LEU 27 1HD2 LEU 27 -0.242 -0.440 -16.728 219 H ILE 28 H ILE 28 1.256 -1.115 -14.453 220 HA ILE 28 HA ILE 28 1.875 -2.659 -16.877 221 HB ILE 28 HB ILE 28 1.305 -3.928 -14.226 222 1HG1 ILE 28 1HG1 ILE 28 4.148 -3.423 -15.002 223 2HG1 ILE 28 2HG1 ILE 28 3.257 -2.109 -14.259 224 1HG2 ILE 28 3HG2 ILE 28 1.313 -5.256 -16.334 225 2HG2 ILE 28 1HG2 ILE 28 3.022 -4.816 -16.557 226 3HG2 ILE 28 2HG2 ILE 28 2.529 -5.779 -15.144 227 1HD1 ILE 28 3HD1 ILE 28 2.875 -4.735 -12.919 228 2HD1 ILE 28 1HD1 ILE 28 4.539 -4.104 -12.860 229 3HD1 ILE 28 2HD1 ILE 28 3.195 -3.132 -12.213 230 H LEU 29 H LEU 29 0.158 -3.332 -18.067 231 HA LEU 29 HA LEU 29 -2.462 -3.209 -16.747 232 1HB LEU 29 1HB LEU 29 -1.567 -1.530 -18.743 233 2HB LEU 29 2HB LEU 29 -2.450 -2.753 -19.636 234 HG LEU 29 HG LEU 29 -3.448 -0.766 -17.629 235 1HD1 LEU 29 1HD1 LEU 29 -3.507 -0.484 -20.170 236 2HD1 LEU 29 2HD1 LEU 29 -4.776 -1.732 -20.159 237 3HD1 LEU 29 3HD1 LEU 29 -5.021 -0.205 -19.277 238 1HD2 LEU 29 3HD2 LEU 29 -4.551 -3.525 -18.054 239 2HD2 LEU 29 1HD2 LEU 29 -4.379 -2.582 -16.553 240 3HD2 LEU 29 2HD2 LEU 29 -5.650 -2.163 -17.727 241 H HIS 30 H HIS 30 -3.717 -5.020 -16.911 242 HA HIS 30 HA HIS 30 -4.357 -7.047 -17.459 243 1HB HIS 30 1HB HIS 30 -4.255 -6.038 -19.802 244 2HB HIS 30 2HB HIS 30 -2.719 -6.861 -19.994 245 HD1 HIS 30 HD1 HIS 30 -3.617 -9.539 -18.464 246 HD2 HIS 30 HD2 HIS 30 -5.680 -7.637 -21.583 247 HE1 HIS 30 HE1 HIS 30 -5.075 -11.328 -19.554 248 HE2 HIS 30 HE2 HIS 30 -6.358 -10.087 -21.427 249 H TYR 31 H TYR 31 -0.942 -6.795 -18.697 250 HA TYR 31 HA TYR 31 0.113 -8.293 -16.563 251 1HB TYR 31 1HB TYR 31 0.294 -10.446 -17.618 252 2HB TYR 31 2HB TYR 31 -1.310 -9.938 -18.109 253 HD1 TYR 31 HD1 TYR 31 -1.861 -9.675 -20.401 254 HD2 TYR 31 HD2 TYR 31 2.235 -10.111 -19.243 255 HE1 TYR 31 HE1 TYR 31 -1.193 -9.950 -22.839 256 HE2 TYR 31 HE2 TYR 31 2.889 -10.383 -21.684 257 HH TYR 31 HH TYR 31 0.811 -11.151 -24.030 258 H LYS 32 H LYS 32 0.255 -6.277 -19.230 259 HA LYS 32 HA LYS 32 3.147 -6.700 -19.518 260 1HB LYS 32 1HB LYS 32 2.719 -5.298 -21.668 261 2HB LYS 32 2HB LYS 32 2.328 -7.006 -21.653 262 1HG LYS 32 1HG LYS 32 0.043 -5.535 -20.647 263 2HG LYS 32 2HG LYS 32 0.565 -4.790 -22.145 264 1HD LYS 32 1HD LYS 32 0.122 -6.694 -23.423 265 2HD LYS 32 2HD LYS 32 0.429 -7.795 -22.095 266 1HE LYS 32 1HE LYS 32 -1.756 -7.792 -21.442 267 2HE LYS 32 2HE LYS 32 -1.863 -6.044 -21.519 268 1HZ LYS 32 2HZ LYS 32 -1.731 -6.731 -24.098 269 2HZ LYS 32 3HZ LYS 32 -2.585 -7.979 -23.483 270 3HZ LYS 32 1HZ LYS 32 -3.119 -6.449 -23.284 271 H VAL 33 H VAL 33 4.228 -4.450 -20.204 272 HA VAL 33 HA VAL 33 3.255 -2.507 -18.227 273 HB VAL 33 HB VAL 33 6.077 -2.808 -19.244 274 1HG1 VAL 33 2HG1 VAL 33 5.450 -0.646 -18.203 275 2HG1 VAL 33 3HG1 VAL 33 4.972 -1.517 -16.727 276 3HG1 VAL 33 1HG1 VAL 33 6.670 -1.532 -17.259 277 1HG2 VAL 33 3HG2 VAL 33 5.379 -4.931 -18.198 278 2HG2 VAL 33 1HG2 VAL 33 6.601 -4.080 -17.222 279 3HG2 VAL 33 2HG2 VAL 33 4.888 -4.043 -16.737 280 H TYR 34 H TYR 34 2.827 -0.427 -18.894 281 HA TYR 34 HA TYR 34 3.417 0.135 -21.723 282 1HB TYR 34 1HB TYR 34 1.118 1.061 -19.889 283 2HB TYR 34 2HB TYR 34 1.246 1.424 -21.599 284 HD1 TYR 34 HD1 TYR 34 1.230 -1.598 -19.362 285 HD2 TYR 34 HD2 TYR 34 -0.046 0.159 -23.047 286 HE1 TYR 34 HE1 TYR 34 -0.094 -3.698 -19.912 287 HE2 TYR 34 HE2 TYR 34 -1.365 -1.946 -23.586 288 HH TYR 34 HH TYR 34 -2.329 -3.782 -22.537 289 H ASP 35 H ASP 35 3.844 2.384 -22.269 290 HA ASP 35 HA ASP 35 5.225 3.669 -20.109 291 1HB ASP 35 1HB ASP 35 5.862 3.387 -22.712 292 2HB ASP 35 2HB ASP 35 4.952 4.878 -22.861 293 H LEU 36 H LEU 36 3.447 4.497 -18.805 294 HA LEU 36 HA LEU 36 1.215 5.783 -19.813 295 1HB LEU 36 1HB LEU 36 2.659 5.837 -17.181 296 2HB LEU 36 2HB LEU 36 1.282 6.885 -17.461 297 HG LEU 36 HG LEU 36 1.391 3.900 -17.225 298 1HD1 LEU 36 3HD1 LEU 36 0.395 6.084 -15.687 299 2HD1 LEU 36 1HD1 LEU 36 -0.987 5.085 -16.195 300 3HD1 LEU 36 2HD1 LEU 36 0.368 4.345 -15.311 301 1HD2 LEU 36 3HD2 LEU 36 -0.545 5.448 -18.930 302 2HD2 LEU 36 1HD2 LEU 36 0.287 3.910 -19.265 303 3HD2 LEU 36 2HD2 LEU 36 -1.052 3.961 -18.093 304 H THR 37 H THR 37 4.533 6.945 -19.194 305 HA THR 37 HA THR 37 4.108 9.667 -19.236 306 HB THR 37 HB THR 37 6.311 7.733 -19.769 307 HG1 THR 37 HG1 THR 37 7.257 9.618 -18.441 308 1HG2 THR 37 2HG2 THR 37 6.267 10.545 -20.957 309 2HG2 THR 37 3HG2 THR 37 7.785 9.769 -20.445 310 3HG2 THR 37 1HG2 THR 37 6.802 9.037 -21.737 311 H LYS 38 H LYS 38 3.586 7.348 -21.784 312 HA LYS 38 HA LYS 38 3.743 9.390 -23.831 313 1HB LYS 38 1HB LYS 38 4.341 6.758 -23.876 314 2HB LYS 38 2HB LYS 38 2.678 6.675 -24.423 315 1HG LYS 38 1HG LYS 38 3.102 8.100 -26.307 316 2HG LYS 38 2HG LYS 38 4.622 8.670 -25.644 317 1HD LYS 38 1HD LYS 38 4.691 5.767 -25.877 318 2HD LYS 38 2HD LYS 38 4.209 6.462 -27.410 319 1HE LYS 38 1HE LYS 38 6.224 7.651 -27.671 320 2HE LYS 38 2HE LYS 38 6.536 7.718 -25.949 321 1HZ LYS 38 1HZ LYS 38 6.564 5.097 -26.416 322 2HZ LYS 38 2HZ LYS 38 7.181 5.659 -27.820 323 3HZ LYS 38 3HZ LYS 38 7.897 6.040 -26.403 324 H PHE 39 H PHE 39 1.330 7.487 -21.978 325 HA PHE 39 HA PHE 39 -0.857 8.521 -23.493 326 1HB PHE 39 1HB PHE 39 -0.458 6.326 -21.971 327 2HB PHE 39 2HB PHE 39 -0.960 7.378 -20.663 328 HD1 PHE 39 HD1 PHE 39 -3.180 8.831 -21.395 329 HD2 PHE 39 HD2 PHE 39 -2.114 4.971 -22.800 330 HE1 PHE 39 HE1 PHE 39 -5.585 8.365 -21.941 331 HE2 PHE 39 HE2 PHE 39 -4.520 4.505 -23.344 332 HZ PHE 39 HZ PHE 39 -6.227 6.207 -22.908 333 H LEU 40 H LEU 40 1.061 9.567 -20.733 334 HA LEU 40 HA LEU 40 -0.469 10.956 -19.118 335 1HB LEU 40 1HB LEU 40 2.117 11.632 -20.440 336 2HB LEU 40 2HB LEU 40 1.343 12.857 -19.455 337 HG LEU 40 HG LEU 40 2.335 10.135 -18.594 338 1HD1 LEU 40 2HD1 LEU 40 3.086 12.978 -17.891 339 2HD1 LEU 40 3HD1 LEU 40 3.600 11.568 -16.934 340 3HD1 LEU 40 1HD1 LEU 40 4.096 11.716 -18.636 341 1HD2 LEU 40 2HD2 LEU 40 0.167 11.737 -17.450 342 2HD2 LEU 40 3HD2 LEU 40 0.639 10.047 -17.145 343 3HD2 LEU 40 1HD2 LEU 40 1.465 11.370 -16.288 344 H GLU 41 H GLU 41 0.345 12.077 -22.466 345 HA GLU 41 HA GLU 41 -1.066 14.426 -22.329 346 1HB GLU 41 1HB GLU 41 0.369 12.964 -24.282 347 2HB GLU 41 2HB GLU 41 -1.219 13.207 -24.983 348 1HG GLU 41 1HG GLU 41 -1.042 15.670 -24.430 349 2HG GLU 41 2HG GLU 41 0.585 15.392 -23.841 350 H GLU 42 H GLU 42 -2.130 11.235 -23.724 351 HA GLU 42 HA GLU 42 -4.740 12.113 -24.153 352 1HB GLU 42 1HB GLU 42 -3.329 9.455 -24.123 353 2HB GLU 42 2HB GLU 42 -5.082 9.447 -24.096 354 1HG GLU 42 1HG GLU 42 -5.021 9.718 -26.350 355 2HG GLU 42 2HG GLU 42 -4.475 11.359 -26.065 356 H HIS 43 H HIS 43 -6.534 10.333 -23.077 357 HA HIS 43 HA HIS 43 -7.523 9.588 -21.225 358 1HB HIS 43 1HB HIS 43 -5.020 9.381 -20.359 359 2HB HIS 43 2HB HIS 43 -5.488 10.738 -19.355 360 HD1 HIS 43 HD1 HIS 43 -7.836 10.275 -17.908 361 HD2 HIS 43 HD2 HIS 43 -5.683 6.952 -19.292 362 HE1 HIS 43 HE1 HIS 43 -8.614 8.287 -16.512 363 HE2 HIS 43 HE2 HIS 43 -7.297 6.263 -17.446 364 HA PRO 44 HA PRO 44 -9.551 13.352 -20.472 365 1HB PRO 44 1HB PRO 44 -11.742 12.389 -19.151 366 2HB PRO 44 2HB PRO 44 -11.607 12.405 -20.898 367 1HG PRO 44 1HG PRO 44 -11.361 10.119 -19.041 368 2HG PRO 44 2HG PRO 44 -11.652 10.103 -20.769 369 1HD PRO 44 1HD PRO 44 -9.176 9.531 -19.440 370 2HD PRO 44 2HD PRO 44 -9.438 9.629 -21.171 371 H GLY 45 H GLY 45 -9.538 11.135 -17.718 372 1HA GLY 45 2HA GLY 45 -8.775 11.491 -15.618 373 2HA GLY 45 1HA GLY 45 -9.903 12.831 -15.660 374 H GLY 46 H GLY 46 -6.535 11.950 -16.696 375 1HA GLY 46 2HA GLY 46 -5.546 14.423 -15.537 376 2HA GLY 46 1HA GLY 46 -5.410 14.303 -17.281 377 H GLU 47 H GLU 47 -3.039 14.362 -16.944 378 HA GLU 47 HA GLU 47 -1.787 12.087 -17.369 379 1HB GLU 47 1HB GLU 47 -0.901 14.596 -15.941 380 2HB GLU 47 2HB GLU 47 0.219 13.253 -16.059 381 1HG GLU 47 1HG GLU 47 0.712 14.450 -18.020 382 2HG GLU 47 2HG GLU 47 -0.410 13.245 -18.618 383 H GLU 48 H GLU 48 -2.408 13.465 -14.072 384 HA GLU 48 HA GLU 48 -1.097 11.628 -12.593 385 1HB GLU 48 1HB GLU 48 -2.937 13.695 -12.129 386 2HB GLU 48 2HB GLU 48 -3.720 12.290 -11.434 387 1HG GLU 48 1HG GLU 48 -2.142 12.056 -9.768 388 2HG GLU 48 2HG GLU 48 -0.813 12.517 -10.814 389 H VAL 49 H VAL 49 -4.478 11.411 -13.881 390 HA VAL 49 HA VAL 49 -5.405 9.180 -12.764 391 HB VAL 49 HB VAL 49 -6.308 10.680 -14.658 392 1HG1 VAL 49 1HG1 VAL 49 -4.328 9.566 -16.148 393 2HG1 VAL 49 2HG1 VAL 49 -5.689 8.499 -16.568 394 3HG1 VAL 49 3HG1 VAL 49 -5.820 10.255 -16.828 395 1HG2 VAL 49 2HG2 VAL 49 -7.283 8.497 -13.495 396 2HG2 VAL 49 3HG2 VAL 49 -8.095 9.258 -14.883 397 3HG2 VAL 49 1HG2 VAL 49 -7.070 7.824 -15.129 398 H LEU 50 H LEU 50 -2.675 9.414 -15.032 399 HA LEU 50 HA LEU 50 -2.497 6.497 -15.081 400 1HB LEU 50 1HB LEU 50 -0.996 8.581 -16.674 401 2HB LEU 50 2HB LEU 50 -0.866 6.845 -16.866 402 HG LEU 50 HG LEU 50 -3.633 7.724 -17.094 403 1HD1 LEU 50 3HD1 LEU 50 -1.633 8.946 -19.016 404 2HD1 LEU 50 1HD1 LEU 50 -3.397 8.910 -19.244 405 3HD1 LEU 50 2HD1 LEU 50 -2.694 9.815 -17.883 406 1HD2 LEU 50 2HD2 LEU 50 -2.254 5.581 -17.887 407 2HD2 LEU 50 3HD2 LEU 50 -3.729 6.135 -18.714 408 3HD2 LEU 50 1HD2 LEU 50 -2.129 6.545 -19.377 409 H ARG 51 H ARG 51 -0.863 9.483 -13.977 410 HA ARG 51 HA ARG 51 1.502 8.231 -13.240 411 1HB ARG 51 1HB ARG 51 0.688 10.819 -13.387 412 2HB ARG 51 2HB ARG 51 0.500 10.595 -11.659 413 1HG ARG 51 1HG ARG 51 3.020 9.424 -12.352 414 2HG ARG 51 2HG ARG 51 2.945 10.959 -13.193 415 1HD ARG 51 1HD ARG 51 1.917 11.344 -10.510 416 2HD ARG 51 2HD ARG 51 3.447 10.496 -10.397 417 HE ARG 51 HE ARG 51 3.978 12.502 -12.232 418 1HH1 ARG 51 2HH1 ARG 51 4.771 14.580 -11.708 419 2HH1 ARG 51 1HH1 ARG 51 4.469 15.251 -10.141 420 1HH2 ARG 51 2HH2 ARG 51 2.658 12.466 -8.971 421 2HH2 ARG 51 1HH2 ARG 51 3.259 14.040 -8.574 422 H GLU 52 H GLU 52 -1.590 8.914 -11.510 423 HA GLU 52 HA GLU 52 -0.705 8.144 -8.998 424 1HB GLU 52 1HB GLU 52 -3.092 8.038 -8.416 425 2HB GLU 52 2HB GLU 52 -2.778 9.445 -9.411 426 1HG GLU 52 1HG GLU 52 -3.411 7.870 -11.430 427 2HG GLU 52 2HG GLU 52 -4.124 6.841 -10.205 428 H GLN 53 H GLN 53 -1.214 6.308 -11.858 429 HA GLN 53 HA GLN 53 -1.589 3.894 -10.269 430 1HB GLN 53 1HB GLN 53 -2.287 2.839 -12.446 431 2HB GLN 53 2HB GLN 53 -3.333 4.148 -11.935 432 1HG GLN 53 1HG GLN 53 -2.098 5.719 -13.450 433 2HG GLN 53 2HG GLN 53 -1.069 4.401 -13.971 434 1HE2 GLN 53 1HE2 GLN 53 -4.180 5.886 -14.148 435 2HE2 GLN 53 2HE2 GLN 53 -4.869 4.915 -15.406 436 H ALA 54 H ALA 54 0.608 5.727 -12.276 437 HA ALA 54 HA ALA 54 2.200 3.610 -13.218 438 1HB ALA 54 3HB ALA 54 2.496 6.585 -12.839 439 2HB ALA 54 1HB ALA 54 3.922 5.610 -13.261 440 3HB ALA 54 2HB ALA 54 2.507 5.629 -14.340 441 H GLY 55 H GLY 55 3.779 2.401 -12.251 442 1HA GLY 55 2HA GLY 55 4.474 3.135 -9.469 443 2HA GLY 55 1HA GLY 55 5.654 2.552 -10.625 444 H GLY 56 H GLY 56 3.213 0.810 -11.735 445 1HA GLY 56 2HA GLY 56 2.871 -1.121 -9.605 446 2HA GLY 56 1HA GLY 56 3.934 -1.642 -10.899 447 H ASP 57 H ASP 57 1.639 -3.098 -10.512 448 HA ASP 57 HA ASP 57 0.458 -2.939 -13.012 449 1HB ASP 57 1HB ASP 57 0.131 -5.066 -12.244 450 2HB ASP 57 2HB ASP 57 0.222 -4.563 -10.568 451 H ALA 58 H ALA 58 -1.232 -1.612 -13.707 452 HA ALA 58 HA ALA 58 -2.753 -0.218 -11.626 453 1HB ALA 58 2HB ALA 58 -1.430 1.122 -13.279 454 2HB ALA 58 3HB ALA 58 -2.425 0.430 -14.582 455 3HB ALA 58 1HB ALA 58 -3.177 1.457 -13.339 456 H THR 59 H THR 59 -2.887 -2.691 -14.079 457 HA THR 59 HA THR 59 -5.455 -2.557 -15.005 458 HB THR 59 HB THR 59 -3.356 -4.271 -15.253 459 HG1 THR 59 HG1 THR 59 -5.843 -3.908 -16.146 460 1HG2 THR 59 3HG2 THR 59 -4.026 -5.339 -12.973 461 2HG2 THR 59 1HG2 THR 59 -5.488 -5.911 -13.811 462 3HG2 THR 59 2HG2 THR 59 -3.881 -6.445 -14.359 463 H GLU 60 H GLU 60 -4.324 -3.764 -11.811 464 HA GLU 60 HA GLU 60 -6.641 -4.895 -10.974 465 1HB GLU 60 1HB GLU 60 -5.834 -4.167 -8.632 466 2HB GLU 60 2HB GLU 60 -4.732 -5.139 -9.589 467 1HG GLU 60 1HG GLU 60 -3.175 -3.511 -9.340 468 2HG GLU 60 2HG GLU 60 -4.163 -2.475 -10.353 469 H ASN 61 H ASN 61 -5.778 -1.441 -11.239 470 HA ASN 61 HA ASN 61 -8.226 -0.718 -9.900 471 1HB ASN 61 1HB ASN 61 -5.667 0.487 -10.183 472 2HB ASN 61 2HB ASN 61 -6.731 1.493 -11.145 473 1HD2 ASN 61 1HD2 ASN 61 -5.334 1.770 -8.479 474 2HD2 ASN 61 2HD2 ASN 61 -6.548 2.317 -7.372 475 H PHE 62 H PHE 62 -6.480 -0.289 -13.062 476 HA PHE 62 HA PHE 62 -8.375 1.160 -14.406 477 1HB PHE 62 1HB PHE 62 -6.472 0.859 -15.718 478 2HB PHE 62 2HB PHE 62 -6.079 -0.650 -14.921 479 HD1 PHE 62 HD1 PHE 62 -7.657 -2.681 -15.592 480 HD2 PHE 62 HD2 PHE 62 -7.046 0.792 -17.953 481 HE1 PHE 62 HE1 PHE 62 -8.364 -3.948 -17.640 482 HE2 PHE 62 HE2 PHE 62 -7.753 -0.475 -20.001 483 HZ PHE 62 HZ PHE 62 -8.404 -2.831 -19.821 484 H GLU 63 H GLU 63 -8.588 -2.102 -13.229 485 HA GLU 63 HA GLU 63 -10.421 -2.957 -15.232 486 1HB GLU 63 1HB GLU 63 -9.086 -4.116 -12.848 487 2HB GLU 63 2HB GLU 63 -10.702 -4.733 -13.125 488 1HG GLU 63 1HG GLU 63 -8.755 -4.541 -15.442 489 2HG GLU 63 2HG GLU 63 -8.630 -5.877 -14.316 490 H ASP 64 H ASP 64 -10.539 -1.614 -11.908 491 HA ASP 64 HA ASP 64 -13.237 -2.137 -11.488 492 1HB ASP 64 1HB ASP 64 -11.120 -1.035 -10.042 493 2HB ASP 64 2HB ASP 64 -12.167 0.352 -10.272 494 H VAL 65 H VAL 65 -11.370 0.582 -12.943 495 HA VAL 65 HA VAL 65 -13.649 2.280 -13.208 496 HB VAL 65 HB VAL 65 -11.790 3.548 -13.097 497 1HG1 VAL 65 3HG1 VAL 65 -10.363 1.238 -14.408 498 2HG1 VAL 65 1HG1 VAL 65 -9.592 2.838 -14.278 499 3HG1 VAL 65 2HG1 VAL 65 -10.093 1.969 -12.807 500 1HG2 VAL 65 2HG2 VAL 65 -12.878 4.051 -15.278 501 2HG2 VAL 65 3HG2 VAL 65 -11.139 4.432 -15.259 502 3HG2 VAL 65 1HG2 VAL 65 -11.717 2.960 -16.075 503 H GLY 66 H GLY 66 -12.907 -0.633 -14.619 504 1HA GLY 66 2HA GLY 66 -14.842 -0.813 -16.433 505 2HA GLY 66 1HA GLY 66 -13.281 -1.576 -16.658 506 H HIS 67 H HIS 67 -11.677 -0.602 -18.038 507 HA HIS 67 HA HIS 67 -12.330 1.878 -19.320 508 1HB HIS 67 1HB HIS 67 -10.021 -0.056 -19.471 509 2HB HIS 67 2HB HIS 67 -10.178 1.256 -20.621 510 HD1 HIS 67 HD1 HIS 67 -9.343 0.536 -17.037 511 HD2 HIS 67 HD2 HIS 67 -9.788 3.870 -19.545 512 HE1 HIS 67 HE1 HIS 67 -8.348 2.519 -15.775 513 HE2 HIS 67 HE2 HIS 67 -8.602 4.527 -17.388 514 H SER 68 H SER 68 -11.747 1.732 -21.921 515 HA SER 68 HA SER 68 -13.719 -0.183 -22.870 516 1HB SER 68 1HB SER 68 -14.269 1.332 -24.581 517 2HB SER 68 2HB SER 68 -13.936 2.391 -23.225 518 HG SER 68 HG SER 68 -12.797 3.255 -24.950 519 H THR 69 H THR 69 -13.283 -1.342 -24.919 520 HA THR 69 HA THR 69 -10.777 -2.504 -25.022 521 HB THR 69 HB THR 69 -13.151 -2.269 -26.908 522 HG1 THR 69 HG1 THR 69 -11.703 -4.320 -25.385 523 1HG2 THR 69 3HG2 THR 69 -10.407 -3.370 -27.478 524 2HG2 THR 69 1HG2 THR 69 -11.792 -4.404 -27.906 525 3HG2 THR 69 2HG2 THR 69 -11.643 -2.778 -28.615 526 H ASP 70 H ASP 70 -11.842 0.593 -26.255 527 HA ASP 70 HA ASP 70 -9.860 0.777 -28.242 528 1HB ASP 70 1HB ASP 70 -11.966 2.151 -28.165 529 2HB ASP 70 2HB ASP 70 -11.363 2.973 -26.740 530 H ALA 71 H ALA 71 -10.303 2.154 -24.896 531 HA ALA 71 HA ALA 71 -7.947 3.552 -24.708 532 1HB ALA 71 2HB ALA 71 -8.272 3.307 -22.268 533 2HB ALA 71 3HB ALA 71 -9.807 3.662 -23.094 534 3HB ALA 71 1HB ALA 71 -9.448 2.003 -22.556 535 H ARG 72 H ARG 72 -8.613 0.063 -24.023 536 HA ARG 72 HA ARG 72 -6.075 -0.488 -23.085 537 1HB ARG 72 1HB ARG 72 -7.933 -2.401 -24.584 538 2HB ARG 72 2HB ARG 72 -6.677 -2.855 -23.449 539 1HG ARG 72 1HG ARG 72 -7.905 -1.561 -21.648 540 2HG ARG 72 2HG ARG 72 -9.190 -1.244 -22.796 541 1HD ARG 72 1HD ARG 72 -9.822 -3.183 -21.450 542 2HD ARG 72 2HD ARG 72 -9.517 -3.727 -23.088 543 HE ARG 72 HE ARG 72 -7.049 -3.956 -21.755 544 1HH1 ARG 72 2HH1 ARG 72 -6.321 -5.907 -20.815 545 2HH1 ARG 72 1HH1 ARG 72 -7.464 -7.123 -20.350 546 1HH2 ARG 72 2HH2 ARG 72 -10.285 -5.291 -21.394 547 2HH2 ARG 72 1HH2 ARG 72 -9.734 -6.770 -20.682 548 H GLU 73 H GLU 73 -7.541 -0.648 -26.387 549 HA GLU 73 HA GLU 73 -5.403 -1.850 -27.641 550 1HB GLU 73 1HB GLU 73 -7.882 -1.126 -28.419 551 2HB GLU 73 2HB GLU 73 -7.007 0.222 -29.118 552 1HG GLU 73 1HG GLU 73 -5.502 -1.360 -30.323 553 2HG GLU 73 2HG GLU 73 -6.336 -2.720 -29.599 554 H LEU 74 H LEU 74 -6.167 1.645 -27.088 555 HA LEU 74 HA LEU 74 -4.054 2.695 -28.541 556 1HB LEU 74 1HB LEU 74 -4.828 4.647 -27.814 557 2HB LEU 74 2HB LEU 74 -6.160 3.691 -27.195 558 HG LEU 74 HG LEU 74 -4.538 3.543 -25.058 559 1HD1 LEU 74 1HD1 LEU 74 -3.146 5.346 -26.671 560 2HD1 LEU 74 2HD1 LEU 74 -3.963 6.356 -25.454 561 3HD1 LEU 74 3HD1 LEU 74 -2.894 5.030 -24.938 562 1HD2 LEU 74 2HD2 LEU 74 -6.890 4.932 -25.781 563 2HD2 LEU 74 3HD2 LEU 74 -6.309 4.520 -24.149 564 3HD2 LEU 74 1HD2 LEU 74 -5.869 6.081 -24.883 565 H SER 75 H SER 75 -4.231 1.421 -25.186 566 HA SER 75 HA SER 75 -1.756 2.320 -24.376 567 1HB SER 75 1HB SER 75 -2.359 -0.295 -23.250 568 2HB SER 75 2HB SER 75 -2.362 1.271 -22.465 569 HG SER 75 HG SER 75 -4.529 1.626 -23.299 570 H LYS 76 H LYS 76 -2.764 -0.483 -26.346 571 HA LYS 76 HA LYS 76 -0.393 -1.947 -26.168 572 1HB LYS 76 1HB LYS 76 -1.377 -3.345 -27.666 573 2HB LYS 76 2HB LYS 76 -2.805 -2.460 -27.166 574 1HG LYS 76 1HG LYS 76 -3.093 -2.070 -29.401 575 2HG LYS 76 2HG LYS 76 -1.888 -0.817 -29.176 576 1HD LYS 76 1HD LYS 76 -0.098 -2.592 -29.680 577 2HD LYS 76 2HD LYS 76 -1.401 -3.674 -30.131 578 1HE LYS 76 1HE LYS 76 -1.362 -0.928 -31.380 579 2HE LYS 76 2HE LYS 76 -0.184 -2.096 -31.942 580 1HZ LYS 76 1HZ LYS 76 -2.494 -3.491 -31.855 581 2HZ LYS 76 2HZ LYS 76 -2.979 -2.025 -32.388 582 3HZ LYS 76 3HZ LYS 76 -1.822 -2.847 -33.197 583 H THR 77 H THR 77 -1.057 1.134 -27.554 584 HA THR 77 HA THR 77 1.063 0.909 -29.534 585 HB THR 77 HB THR 77 -1.298 2.161 -29.659 586 HG1 THR 77 HG1 THR 77 1.356 3.181 -30.384 587 1HG2 THR 77 2HG2 THR 77 -0.126 3.681 -27.620 588 2HG2 THR 77 3HG2 THR 77 0.267 4.613 -29.084 589 3HG2 THR 77 1HG2 THR 77 -1.430 4.243 -28.693 590 H PHE 78 H PHE 78 0.657 1.753 -26.196 591 HA PHE 78 HA PHE 78 3.159 3.272 -26.278 592 1HB PHE 78 1HB PHE 78 0.885 2.899 -24.242 593 2HB PHE 78 2HB PHE 78 2.345 3.789 -23.855 594 HD1 PHE 78 HD1 PHE 78 2.717 5.193 -26.508 595 HD2 PHE 78 HD2 PHE 78 -0.722 4.606 -24.092 596 HE1 PHE 78 HE1 PHE 78 1.695 7.280 -27.456 597 HE2 PHE 78 HE2 PHE 78 -1.744 6.693 -25.040 598 HZ PHE 78 HZ PHE 78 -0.524 8.005 -26.711 599 H ILE 79 H ILE 79 1.925 0.146 -25.718 600 HA ILE 79 HA ILE 79 3.120 -0.743 -23.447 601 HB ILE 79 HB ILE 79 2.338 -1.923 -26.041 602 1HG1 ILE 79 1HG1 ILE 79 1.695 -2.276 -23.130 603 2HG1 ILE 79 2HG1 ILE 79 0.627 -1.895 -24.467 604 1HG2 ILE 79 3HG2 ILE 79 4.581 -2.893 -25.714 605 2HG2 ILE 79 1HG2 ILE 79 4.082 -3.470 -24.105 606 3HG2 ILE 79 2HG2 ILE 79 3.284 -4.101 -25.565 607 1HD1 ILE 79 1HD1 ILE 79 1.318 -4.271 -25.383 608 2HD1 ILE 79 2HD1 ILE 79 1.821 -4.568 -23.702 609 3HD1 ILE 79 3HD1 ILE 79 0.128 -4.157 -24.065 610 H ILE 80 H ILE 80 5.166 -1.019 -22.693 611 HA ILE 80 HA ILE 80 7.309 -0.528 -24.637 612 HB ILE 80 HB ILE 80 8.615 0.036 -22.521 613 1HG1 ILE 80 1HG1 ILE 80 6.844 1.028 -20.790 614 2HG1 ILE 80 2HG1 ILE 80 5.861 -0.285 -21.404 615 1HG2 ILE 80 2HG2 ILE 80 6.391 1.717 -23.665 616 2HG2 ILE 80 3HG2 ILE 80 7.494 2.346 -22.419 617 3HG2 ILE 80 1HG2 ILE 80 8.140 1.795 -23.983 618 1HD1 ILE 80 1HD1 ILE 80 7.786 -1.871 -20.945 619 2HD1 ILE 80 2HD1 ILE 80 8.642 -0.516 -20.171 620 3HD1 ILE 80 3HD1 ILE 80 7.112 -1.109 -19.485 621 H GLY 81 H GLY 81 5.921 -2.740 -22.252 622 1HA GLY 81 2HA GLY 81 8.104 -4.376 -21.724 623 2HA GLY 81 1HA GLY 81 7.422 -4.927 -23.242 624 H GLU 82 H GLU 82 7.472 -6.235 -20.525 625 HA GLU 82 HA GLU 82 4.724 -6.127 -19.717 626 1HB GLU 82 1HB GLU 82 5.706 -8.883 -20.418 627 2HB GLU 82 2HB GLU 82 4.065 -8.272 -20.354 628 1HG GLU 82 1HG GLU 82 4.490 -6.917 -22.418 629 2HG GLU 82 2HG GLU 82 6.129 -7.536 -22.482 630 H LEU 83 H LEU 83 4.350 -7.533 -17.730 631 HA LEU 83 HA LEU 83 6.531 -7.194 -15.961 632 1HB LEU 83 1HB LEU 83 4.001 -7.076 -15.529 633 2HB LEU 83 2HB LEU 83 4.055 -8.824 -15.437 634 HG LEU 83 HG LEU 83 4.440 -8.550 -13.259 635 1HD1 LEU 83 3HD1 LEU 83 7.141 -7.544 -14.197 636 2HD1 LEU 83 1HD1 LEU 83 6.763 -8.129 -12.559 637 3HD1 LEU 83 2HD1 LEU 83 6.664 -9.240 -13.946 638 1HD2 LEU 83 3HD2 LEU 83 4.142 -5.878 -13.975 639 2HD2 LEU 83 1HD2 LEU 83 4.153 -6.552 -12.327 640 3HD2 LEU 83 2HD2 LEU 83 5.657 -5.918 -13.040 641 H HIS 84 H HIS 84 8.205 -8.527 -15.515 642 HA HIS 84 HA HIS 84 8.395 -10.972 -16.941 643 1HB HIS 84 1HB HIS 84 10.152 -9.145 -15.726 644 2HB HIS 84 2HB HIS 84 10.364 -10.637 -14.834 645 HD1 HIS 84 HD1 HIS 84 12.823 -10.468 -16.048 646 HD2 HIS 84 HD2 HIS 84 9.551 -11.431 -18.488 647 HE1 HIS 84 HE1 HIS 84 13.794 -11.477 -18.181 648 HE2 HIS 84 HE2 HIS 84 11.736 -12.099 -19.618 649 HA PRO 85 HA PRO 85 7.346 -13.808 -13.817 650 1HB PRO 85 1HB PRO 85 9.456 -15.501 -13.427 651 2HB PRO 85 2HB PRO 85 8.376 -15.617 -14.802 652 1HG PRO 85 1HG PRO 85 11.141 -14.578 -14.702 653 2HG PRO 85 2HG PRO 85 10.212 -15.095 -16.095 654 1HD PRO 85 1HD PRO 85 10.754 -12.393 -15.300 655 2HD PRO 85 2HD PRO 85 9.730 -12.911 -16.624 656 H ASP 86 H ASP 86 9.253 -11.392 -13.043 657 HA ASP 86 HA ASP 86 10.108 -12.299 -10.500 658 1HB ASP 86 1HB ASP 86 11.473 -10.550 -11.078 659 2HB ASP 86 2HB ASP 86 10.274 -9.843 -12.142 660 H ASP 87 H ASP 87 7.207 -10.940 -11.937 661 HA ASP 87 HA ASP 87 5.828 -11.166 -9.494 662 1HB ASP 87 1HB ASP 87 6.521 -8.423 -10.586 663 2HB ASP 87 2HB ASP 87 4.994 -8.655 -9.757 664 H ARG 88 H ARG 88 5.516 -12.439 -11.962 665 HA ARG 88 HA ARG 88 3.680 -10.972 -13.563 666 1HB ARG 88 1HB ARG 88 5.217 -13.472 -13.751 667 2HB ARG 88 2HB ARG 88 3.573 -13.706 -14.314 668 1HG ARG 88 1HG ARG 88 3.786 -12.104 -16.041 669 2HG ARG 88 2HG ARG 88 5.105 -11.268 -15.246 670 1HD ARG 88 1HD ARG 88 6.335 -12.417 -16.844 671 2HD ARG 88 2HD ARG 88 6.349 -13.633 -15.583 672 HE ARG 88 HE ARG 88 4.759 -13.704 -18.076 673 1HH1 ARG 88 2HH1 ARG 88 3.764 -15.694 -18.596 674 2HH1 ARG 88 1HH1 ARG 88 3.699 -16.963 -17.420 675 1HH2 ARG 88 2HH2 ARG 88 5.377 -15.136 -14.922 676 2HH2 ARG 88 1HH2 ARG 88 4.623 -16.643 -15.315 677 H SER 89 H SER 89 3.473 -14.245 -11.965 678 HA SER 89 HA SER 89 0.692 -14.267 -12.052 679 1HB SER 89 1HB SER 89 2.626 -16.133 -11.578 680 2HB SER 89 2HB SER 89 2.082 -15.864 -9.934 681 HG SER 89 HG SER 89 0.705 -17.008 -12.137 682 H LYS 90 H LYS 90 2.610 -12.177 -10.376 683 HA LYS 90 HA LYS 90 1.069 -12.269 -7.903 684 1HB LYS 90 1HB LYS 90 3.595 -10.838 -8.741 685 2HB LYS 90 2HB LYS 90 2.738 -10.423 -7.270 686 1HG LYS 90 1HG LYS 90 3.147 -13.344 -7.614 687 2HG LYS 90 2HG LYS 90 4.645 -12.440 -7.510 688 1HD LYS 90 1HD LYS 90 4.345 -11.963 -5.294 689 2HD LYS 90 2HD LYS 90 2.658 -11.539 -5.519 690 1HE LYS 90 1HE LYS 90 2.166 -13.487 -4.445 691 2HE LYS 90 2HE LYS 90 2.633 -14.301 -5.926 692 1HZ LYS 90 1HZ LYS 90 4.572 -13.588 -3.843 693 2HZ LYS 90 2HZ LYS 90 3.804 -15.030 -3.883 694 3HZ LYS 90 3HZ LYS 90 4.795 -14.599 -5.107 695 H ILE 91 H ILE 91 0.889 -10.948 -11.018 696 HA ILE 91 HA ILE 91 -1.015 -8.974 -10.047 697 HB ILE 91 HB ILE 91 -0.059 -7.153 -10.965 698 1HG1 ILE 91 1HG1 ILE 91 1.480 -8.869 -12.936 699 2HG1 ILE 91 2HG1 ILE 91 -0.064 -8.105 -13.263 700 1HG2 ILE 91 2HG2 ILE 91 2.320 -8.942 -10.405 701 2HG2 ILE 91 3HG2 ILE 91 2.421 -7.182 -10.655 702 3HG2 ILE 91 1HG2 ILE 91 1.498 -7.834 -9.279 703 1HD1 ILE 91 1HD1 ILE 91 1.789 -6.148 -12.147 704 2HD1 ILE 91 2HD1 ILE 91 2.508 -6.954 -13.564 705 3HD1 ILE 91 3HD1 ILE 91 0.938 -6.125 -13.712 706 H THR 92 H THR 92 0.490 -10.734 -12.817 707 HA THR 92 HA THR 92 -1.051 -10.376 -14.884 708 HB THR 92 HB THR 92 0.659 -12.280 -14.313 709 HG1 THR 92 HG1 THR 92 -0.568 -13.574 -16.035 710 1HG2 THR 92 3HG2 THR 92 -0.990 -13.334 -12.581 711 2HG2 THR 92 1HG2 THR 92 -1.933 -13.856 -13.996 712 3HG2 THR 92 2HG2 THR 92 -0.264 -14.435 -13.777 713 H LYS 93 H LYS 93 -3.109 -10.532 -15.654 714 HA LYS 93 HA LYS 93 -5.230 -10.188 -14.079 715 1HB LYS 93 1HB LYS 93 -4.911 -10.324 -16.707 716 2HB LYS 93 2HB LYS 93 -5.607 -11.919 -16.496 717 1HG LYS 93 1HG LYS 93 -7.226 -10.247 -14.896 718 2HG LYS 93 2HG LYS 93 -6.904 -9.284 -16.324 719 1HD LYS 93 1HD LYS 93 -8.777 -10.480 -17.041 720 2HD LYS 93 2HD LYS 93 -7.496 -11.517 -17.634 721 1HE LYS 93 1HE LYS 93 -7.730 -12.621 -15.188 722 2HE LYS 93 2HE LYS 93 -9.338 -11.930 -15.278 723 1HZ LYS 93 2HZ LYS 93 -9.588 -13.060 -17.422 724 2HZ LYS 93 3HZ LYS 93 -8.136 -13.781 -17.216 725 3HZ LYS 93 1HZ LYS 93 -9.361 -14.104 -16.186 726 HA PRO 94 HA PRO 94 -5.296 -14.052 -11.956 727 1HB PRO 94 1HB PRO 94 -6.665 -13.171 -9.762 728 2HB PRO 94 2HB PRO 94 -4.918 -13.110 -9.890 729 1HG PRO 94 1HG PRO 94 -6.872 -10.902 -10.120 730 2HG PRO 94 2HG PRO 94 -5.146 -10.815 -9.823 731 1HD PRO 94 1HD PRO 94 -6.490 -10.276 -12.299 732 2HD PRO 94 2HD PRO 94 -4.759 -10.301 -12.030 733 H SER 95 H SER 95 -7.330 -15.046 -10.490 734 HA SER 95 HA SER 95 -9.571 -14.739 -12.326 735 1HB SER 95 1HB SER 95 -7.955 -17.000 -12.204 736 2HB SER 95 2HB SER 95 -9.273 -17.433 -11.132 737 HG SER 95 HG SER 95 -9.250 -17.184 -13.905 738 H GLU 96 H GLU 96 -11.107 -13.723 -11.070 739 HA GLU 96 HA GLU 96 -11.856 -15.070 -8.642 740 1HB GLU 96 1HB GLU 96 -10.209 -12.778 -8.518 741 2HB GLU 96 2HB GLU 96 -11.818 -12.180 -8.162 742 1HG GLU 96 1HG GLU 96 -11.722 -14.543 -6.681 743 2HG GLU 96 2HG GLU 96 -10.075 -13.960 -6.558 744 H SER 97 H SER 97 -14.076 -14.713 -8.074 745 HA SER 97 HA SER 97 -15.505 -13.082 -10.024 746 1HB SER 97 1HB SER 97 -15.630 -15.791 -10.018 747 2HB SER 97 2HB SER 97 -16.870 -15.469 -8.823 748 HG SER 97 HG SER 97 -18.195 -14.803 -10.368 749 H ILE 98 H ILE 98 -17.622 -12.220 -9.208 750 HA ILE 98 HA ILE 98 -17.687 -12.122 -6.274 751 HB ILE 98 HB ILE 98 -18.302 -9.776 -6.401 752 1HG1 ILE 98 1HG1 ILE 98 -17.555 -8.858 -8.887 753 2HG1 ILE 98 2HG1 ILE 98 -18.407 -10.335 -9.289 754 1HG2 ILE 98 3HG2 ILE 98 -15.753 -10.887 -6.829 755 2HG2 ILE 98 1HG2 ILE 98 -15.861 -9.471 -7.903 756 3HG2 ILE 98 2HG2 ILE 98 -16.153 -9.287 -6.156 757 1HD1 ILE 98 2HD1 ILE 98 -19.527 -8.205 -7.414 758 2HD1 ILE 98 3HD1 ILE 98 -19.898 -8.298 -9.152 759 3HD1 ILE 98 1HD1 ILE 98 -20.391 -9.618 -8.064 760 H ILE 99 H ILE 99 -19.989 -11.006 -5.673 761 HA ILE 99 HA ILE 99 -22.019 -12.129 -7.445 762 HB ILE 99 HB ILE 99 -21.387 -13.793 -5.687 763 1HG1 ILE 99 1HG1 ILE 99 -23.509 -13.973 -6.792 764 2HG1 ILE 99 2HG1 ILE 99 -23.738 -14.316 -5.089 765 1HG2 ILE 99 3HG2 ILE 99 -21.328 -11.671 -3.974 766 2HG2 ILE 99 1HG2 ILE 99 -22.919 -12.380 -3.606 767 3HG2 ILE 99 2HG2 ILE 99 -21.450 -13.378 -3.484 768 1HD1 ILE 99 2HD1 ILE 99 -24.297 -11.747 -4.889 769 2HD1 ILE 99 3HD1 ILE 99 -24.548 -11.851 -6.649 770 3HD1 ILE 99 1HD1 ILE 99 -25.524 -12.854 -5.550 771 H THR 100 H THR 100 -23.285 -10.446 -8.001 772 HA THR 100 HA THR 100 -23.745 -8.392 -5.939 773 HB THR 100 HB THR 100 -22.429 -7.684 -7.980 774 HG1 THR 100 HG1 THR 100 -23.654 -5.818 -7.848 775 1HG2 THR 100 1HG2 THR 100 -25.052 -8.452 -9.362 776 2HG2 THR 100 2HG2 THR 100 -23.840 -7.364 -10.082 777 3HG2 THR 100 3HG2 THR 100 -23.425 -9.063 -9.749 778 H THR 101 H THR 101 -25.894 -7.215 -6.220 779 HA THR 101 HA THR 101 -28.010 -8.607 -7.495 780 HB THR 101 HB THR 101 -27.570 -10.199 -5.614 781 HG1 THR 101 HG1 THR 101 -29.798 -10.178 -5.139 782 1HG2 THR 101 1HG2 THR 101 -26.919 -8.010 -4.077 783 2HG2 THR 101 2HG2 THR 101 -28.624 -8.233 -3.617 784 3HG2 THR 101 3HG2 THR 101 -27.461 -9.560 -3.388 785 H ILE 102 H ILE 102 -28.408 -6.555 -8.367 786 HA ILE 102 HA ILE 102 -29.617 -4.737 -6.411 787 HB ILE 102 HB ILE 102 -27.739 -4.003 -8.658 788 1HG1 ILE 102 1HG1 ILE 102 -26.734 -2.809 -6.467 789 2HG1 ILE 102 2HG1 ILE 102 -27.492 -4.188 -5.696 790 1HG2 ILE 102 2HG2 ILE 102 -29.927 -2.554 -8.040 791 2HG2 ILE 102 3HG2 ILE 102 -28.782 -1.910 -6.839 792 3HG2 ILE 102 1HG2 ILE 102 -28.386 -1.842 -8.573 793 1HD1 ILE 102 1HD1 ILE 102 -26.326 -5.626 -7.536 794 2HD1 ILE 102 2HD1 ILE 102 -25.329 -4.180 -7.827 795 3HD1 ILE 102 3HD1 ILE 102 -25.315 -4.964 -6.229 796 H ASP 103 H ASP 103 -31.569 -3.824 -7.044 797 HA ASP 103 HA ASP 103 -33.157 -5.153 -8.716 798 1HB ASP 103 1HB ASP 103 -33.488 -3.002 -7.134 799 2HB ASP 103 2HB ASP 103 -33.421 -2.145 -8.660 800 H SER 104 H SER 104 -34.008 -4.650 -10.943 801 HA SER 104 HA SER 104 -31.877 -4.031 -12.688 802 1HB SER 104 1HB SER 104 -33.292 -4.792 -14.405 803 2HB SER 104 2HB SER 104 -33.862 -5.694 -13.014 804 HG SER 104 HG SER 104 -35.709 -4.508 -12.923 No H/Q in entry = 804 Start of MODEL 11 1 H ALA 1 H ALA 1 33.299 -2.533 -32.153 2 HA ALA 1 HA ALA 1 33.353 -0.346 -32.894 3 1HB ALA 1 2HB ALA 1 32.029 -2.341 -34.453 4 2HB ALA 1 3HB ALA 1 31.196 -0.796 -34.746 5 3HB ALA 1 1HB ALA 1 32.949 -0.929 -35.024 6 H GLU 2 H GLU 2 29.855 -1.327 -32.644 7 HA GLU 2 HA GLU 2 29.281 0.764 -30.895 8 1HB GLU 2 1HB GLU 2 29.445 1.618 -33.582 9 2HB GLU 2 2HB GLU 2 27.727 1.452 -33.281 10 1HG GLU 2 1HG GLU 2 28.353 2.722 -30.994 11 2HG GLU 2 2HG GLU 2 29.725 3.271 -31.936 12 H GLU 3 H GLU 3 26.777 0.970 -30.615 13 HA GLU 3 HA GLU 3 25.105 -0.880 -31.794 14 1HB GLU 3 1HB GLU 3 24.827 -2.556 -30.016 15 2HB GLU 3 2HB GLU 3 26.474 -2.574 -30.613 16 1HG GLU 3 1HG GLU 3 27.330 -1.487 -28.677 17 2HG GLU 3 2HG GLU 3 25.761 -0.848 -28.222 18 H SER 4 H SER 4 23.021 -1.194 -30.249 19 HA SER 4 HA SER 4 22.649 0.605 -28.187 20 1HB SER 4 1HB SER 4 22.877 2.193 -30.240 21 2HB SER 4 2HB SER 4 21.303 1.592 -30.727 22 HG SER 4 HG SER 4 20.349 2.760 -29.196 23 H SER 5 H SER 5 20.079 0.943 -27.867 24 HA SER 5 HA SER 5 18.324 -0.693 -29.194 25 1HB SER 5 1HB SER 5 20.018 -2.155 -27.354 26 2HB SER 5 2HB SER 5 18.376 -2.178 -26.744 27 HG SER 5 HG SER 5 17.886 -2.723 -29.180 28 H LYS 6 H LYS 6 16.214 -0.992 -27.812 29 HA LYS 6 HA LYS 6 15.919 0.354 -25.394 30 1HB LYS 6 1HB LYS 6 16.409 2.230 -27.262 31 2HB LYS 6 2HB LYS 6 14.677 2.077 -27.481 32 1HG LYS 6 1HG LYS 6 14.229 2.627 -25.174 33 2HG LYS 6 2HG LYS 6 15.906 2.407 -24.714 34 1HD LYS 6 1HD LYS 6 16.437 4.339 -26.381 35 2HD LYS 6 2HD LYS 6 14.713 4.652 -26.388 36 1HE LYS 6 1HE LYS 6 15.485 4.360 -23.637 37 2HE LYS 6 2HE LYS 6 16.681 5.398 -24.387 38 1HZ LYS 6 1HZ LYS 6 14.258 6.230 -25.346 39 2HZ LYS 6 2HZ LYS 6 14.014 5.979 -23.751 40 3HZ LYS 6 3HZ LYS 6 15.192 6.995 -24.247 41 H ALA 7 H ALA 7 14.475 -1.132 -24.669 42 HA ALA 7 HA ALA 7 11.854 -1.096 -25.313 43 1HB ALA 7 2HB ALA 7 11.887 -3.416 -26.658 44 2HB ALA 7 1HB ALA 7 13.442 -2.763 -27.230 45 3HB ALA 7 3HB ALA 7 11.941 -1.842 -27.490 46 H VAL 8 H VAL 8 11.995 -1.341 -23.005 47 HA VAL 8 HA VAL 8 13.297 -3.154 -21.548 48 HB VAL 8 HB VAL 8 12.057 -1.881 -20.195 49 1HG1 VAL 8 1HG1 VAL 8 10.185 -1.776 -22.511 50 2HG1 VAL 8 2HG1 VAL 8 9.502 -1.431 -20.904 51 3HG1 VAL 8 3HG1 VAL 8 10.863 -0.463 -21.518 52 1HG2 VAL 8 3HG2 VAL 8 11.381 -4.239 -19.671 53 2HG2 VAL 8 1HG2 VAL 8 10.190 -3.012 -19.175 54 3HG2 VAL 8 2HG2 VAL 8 9.911 -3.982 -20.642 55 H LYS 9 H LYS 9 9.987 -3.807 -22.917 56 HA LYS 9 HA LYS 9 9.143 -5.671 -23.785 57 1HB LYS 9 1HB LYS 9 11.897 -6.066 -24.208 58 2HB LYS 9 2HB LYS 9 11.325 -7.559 -23.494 59 1HG LYS 9 1HG LYS 9 9.400 -7.522 -25.189 60 2HG LYS 9 2HG LYS 9 10.200 -6.171 -25.968 61 1HD LYS 9 1HD LYS 9 12.257 -7.590 -26.274 62 2HD LYS 9 2HD LYS 9 11.415 -8.942 -25.541 63 1HE LYS 9 1HE LYS 9 9.938 -9.198 -27.363 64 2HE LYS 9 2HE LYS 9 10.125 -7.536 -27.887 65 1HZ LYS 9 2HZ LYS 9 12.600 -8.435 -28.140 66 2HZ LYS 9 3HZ LYS 9 11.776 -9.811 -28.453 67 3HZ LYS 9 1HZ LYS 9 11.501 -8.473 -29.348 68 H TYR 10 H TYR 10 11.442 -6.491 -21.092 69 HA TYR 10 HA TYR 10 9.123 -7.517 -19.625 70 1HB TYR 10 1HB TYR 10 11.496 -9.066 -19.050 71 2HB TYR 10 2HB TYR 10 10.039 -9.641 -19.835 72 HD1 TYR 10 HD1 TYR 10 13.330 -8.021 -20.499 73 HD2 TYR 10 HD2 TYR 10 10.039 -10.214 -22.132 74 HE1 TYR 10 HE1 TYR 10 14.623 -8.366 -22.661 75 HE2 TYR 10 HE2 TYR 10 11.342 -10.551 -24.289 76 HH TYR 10 HH TYR 10 14.194 -10.537 -24.689 77 H TYR 11 H TYR 11 8.992 -6.385 -17.758 78 HA TYR 11 HA TYR 11 11.535 -5.694 -16.449 79 1HB TYR 11 1HB TYR 11 9.223 -4.113 -17.443 80 2HB TYR 11 2HB TYR 11 9.459 -3.855 -15.726 81 HD1 TYR 11 HD1 TYR 11 10.040 -1.506 -16.049 82 HD2 TYR 11 HD2 TYR 11 12.326 -4.609 -17.906 83 HE1 TYR 11 HE1 TYR 11 11.896 0.156 -16.558 84 HE2 TYR 11 HE2 TYR 11 14.175 -2.937 -18.408 85 HH TYR 11 HH TYR 11 14.912 -0.922 -18.083 86 H THR 12 H THR 12 11.123 -5.107 -14.040 87 HA THR 12 HA THR 12 9.240 -7.107 -12.985 88 HB THR 12 HB THR 12 10.799 -7.272 -11.112 89 HG1 THR 12 HG1 THR 12 12.349 -5.218 -12.484 90 1HG2 THR 12 2HG2 THR 12 12.331 -6.977 -13.748 91 2HG2 THR 12 3HG2 THR 12 13.028 -7.659 -12.259 92 3HG2 THR 12 1HG2 THR 12 11.677 -8.489 -13.070 93 H LEU 13 H LEU 13 7.911 -6.613 -11.183 94 HA LEU 13 HA LEU 13 6.520 -4.320 -11.311 95 1HB LEU 13 1HB LEU 13 6.975 -6.394 -9.272 96 2HB LEU 13 2HB LEU 13 6.360 -4.877 -8.648 97 HG LEU 13 HG LEU 13 5.077 -6.724 -10.661 98 1HD1 LEU 13 2HD1 LEU 13 4.893 -6.578 -7.908 99 2HD1 LEU 13 3HD1 LEU 13 3.464 -5.674 -8.463 100 3HD1 LEU 13 1HD1 LEU 13 3.722 -7.350 -9.005 101 1HD2 LEU 13 1HD2 LEU 13 4.550 -3.808 -10.183 102 2HD2 LEU 13 2HD2 LEU 13 4.592 -4.726 -11.708 103 3HD2 LEU 13 3HD2 LEU 13 3.210 -4.903 -10.600 104 H GLU 14 H GLU 14 9.637 -4.858 -9.642 105 HA GLU 14 HA GLU 14 9.602 -2.447 -8.243 106 1HB GLU 14 1HB GLU 14 11.389 -4.678 -8.635 107 2HB GLU 14 2HB GLU 14 12.308 -3.204 -8.859 108 1HG GLU 14 1HG GLU 14 11.524 -2.339 -6.674 109 2HG GLU 14 2HG GLU 14 10.498 -3.744 -6.457 110 H GLU 15 H GLU 15 11.093 -3.423 -11.404 111 HA GLU 15 HA GLU 15 12.324 -1.056 -11.960 112 1HB GLU 15 1HB GLU 15 12.104 -3.437 -13.229 113 2HB GLU 15 2HB GLU 15 11.003 -2.510 -14.227 114 1HG GLU 15 1HG GLU 15 13.127 -2.230 -15.272 115 2HG GLU 15 2HG GLU 15 12.867 -0.730 -14.404 116 H ILE 16 H ILE 16 8.891 -2.010 -12.330 117 HA ILE 16 HA ILE 16 8.200 0.323 -13.817 118 HB ILE 16 HB ILE 16 6.394 -1.559 -12.300 119 1HG1 ILE 16 1HG1 ILE 16 6.691 -2.051 -15.167 120 2HG1 ILE 16 2HG1 ILE 16 8.192 -2.293 -14.295 121 1HG2 ILE 16 3HG2 ILE 16 5.886 0.794 -13.776 122 2HG2 ILE 16 1HG2 ILE 16 5.356 -0.568 -14.791 123 3HG2 ILE 16 2HG2 ILE 16 4.712 -0.385 -13.142 124 1HD1 ILE 16 2HD1 ILE 16 5.818 -3.407 -12.905 125 2HD1 ILE 16 3HD1 ILE 16 6.163 -4.158 -14.481 126 3HD1 ILE 16 1HD1 ILE 16 7.408 -4.147 -13.210 127 H GLN 17 H GLN 17 8.189 -0.686 -10.372 128 HA GLN 17 HA GLN 17 6.711 1.449 -9.431 129 1HB GLN 17 1HB GLN 17 7.747 -0.788 -8.313 130 2HB GLN 17 2HB GLN 17 8.937 0.361 -7.737 131 1HG GLN 17 1HG GLN 17 6.323 1.542 -7.392 132 2HG GLN 17 2HG GLN 17 6.267 -0.086 -6.748 133 1HE2 GLN 17 1HE2 GLN 17 5.910 1.443 -4.836 134 2HE2 GLN 17 2HE2 GLN 17 7.302 1.835 -3.883 135 H LYS 18 H LYS 18 10.131 1.141 -10.368 136 HA LYS 18 HA LYS 18 10.998 3.508 -9.088 137 1HB LYS 18 1HB LYS 18 12.201 2.018 -11.439 138 2HB LYS 18 2HB LYS 18 13.010 3.220 -10.454 139 1HG LYS 18 1HG LYS 18 11.746 0.854 -9.066 140 2HG LYS 18 2HG LYS 18 13.248 0.599 -9.934 141 1HD LYS 18 1HD LYS 18 12.862 2.782 -7.832 142 2HD LYS 18 2HD LYS 18 13.529 1.199 -7.475 143 1HE LYS 18 1HE LYS 18 15.303 1.644 -9.273 144 2HE LYS 18 2HE LYS 18 14.697 3.286 -9.372 145 1HZ LYS 18 2HZ LYS 18 15.093 2.670 -6.697 146 2HZ LYS 18 3HZ LYS 18 16.443 2.232 -7.505 147 3HZ LYS 18 1HZ LYS 18 15.892 3.765 -7.608 148 H HIS 19 H HIS 19 9.324 2.761 -12.115 149 HA HIS 19 HA HIS 19 9.764 5.490 -13.024 150 1HB HIS 19 1HB HIS 19 8.738 2.979 -14.344 151 2HB HIS 19 2HB HIS 19 8.482 4.553 -15.070 152 HD1 HIS 19 HD1 HIS 19 10.872 1.835 -14.970 153 HD2 HIS 19 HD2 HIS 19 11.097 5.992 -15.475 154 HE1 HIS 19 HE1 HIS 19 13.146 2.303 -16.030 155 HE2 HIS 19 HE2 HIS 19 13.204 4.870 -16.366 156 H ASN 20 H ASN 20 8.442 6.831 -11.821 157 HA ASN 20 HA ASN 20 5.625 6.383 -12.230 158 1HB ASN 20 1HB ASN 20 5.911 5.390 -10.026 159 2HB ASN 20 2HB ASN 20 6.962 6.688 -9.499 160 1HD2 ASN 20 1HD2 ASN 20 4.028 7.055 -11.414 161 2HD2 ASN 20 2HD2 ASN 20 3.081 7.900 -10.238 162 H ASN 21 H ASN 21 7.966 8.239 -13.046 163 HA ASN 21 HA ASN 21 6.969 10.715 -11.897 164 1HB ASN 21 1HB ASN 21 9.553 10.005 -13.372 165 2HB ASN 21 2HB ASN 21 9.104 11.664 -13.032 166 1HD2 ASN 21 1HD2 ASN 21 10.567 8.858 -11.886 167 2HD2 ASN 21 2HD2 ASN 21 10.804 9.294 -10.228 168 H SER 22 H SER 22 6.549 12.540 -13.435 169 HA SER 22 HA SER 22 5.079 11.770 -15.617 170 1HB SER 22 1HB SER 22 6.159 14.332 -14.534 171 2HB SER 22 2HB SER 22 5.719 14.366 -16.229 172 HG SER 22 HG SER 22 3.707 14.604 -15.559 173 H LYS 23 H LYS 23 8.495 11.891 -15.212 174 HA LYS 23 HA LYS 23 9.110 12.512 -17.948 175 1HB LYS 23 1HB LYS 23 11.312 12.539 -17.280 176 2HB LYS 23 2HB LYS 23 10.505 12.963 -15.783 177 1HG LYS 23 1HG LYS 23 10.602 10.583 -15.041 178 2HG LYS 23 2HG LYS 23 11.373 10.134 -16.549 179 1HD LYS 23 1HD LYS 23 12.812 12.362 -15.334 180 2HD LYS 23 2HD LYS 23 12.636 11.065 -14.168 181 1HE LYS 23 1HE LYS 23 13.395 9.512 -16.190 182 2HE LYS 23 2HE LYS 23 14.014 11.005 -16.868 183 1HZ LYS 23 1HZ LYS 23 14.711 10.762 -14.148 184 2HZ LYS 23 2HZ LYS 23 15.222 9.458 -14.989 185 3HZ LYS 23 3HZ LYS 23 15.681 10.958 -15.447 186 H SER 24 H SER 24 8.806 9.607 -15.850 187 HA SER 24 HA SER 24 8.465 8.058 -18.234 188 1HB SER 24 1HB SER 24 10.839 7.731 -16.389 189 2HB SER 24 2HB SER 24 10.154 6.311 -17.156 190 HG SER 24 HG SER 24 11.333 6.856 -18.854 191 H THR 25 H THR 25 6.318 7.715 -17.455 192 HA THR 25 HA THR 25 6.096 6.414 -14.835 193 HB THR 25 HB THR 25 3.532 6.907 -15.751 194 HG1 THR 25 HG1 THR 25 3.705 8.775 -17.059 195 1HG2 THR 25 1HG2 THR 25 5.289 8.042 -13.809 196 2HG2 THR 25 2HG2 THR 25 4.675 9.412 -14.766 197 3HG2 THR 25 3HG2 THR 25 3.535 8.314 -13.949 198 H TRP 26 H TRP 26 6.238 4.264 -14.815 199 HA TRP 26 HA TRP 26 5.175 2.852 -17.161 200 1HB TRP 26 1HB TRP 26 7.248 1.988 -15.136 201 2HB TRP 26 2HB TRP 26 6.618 0.983 -16.426 202 HD1 TRP 26 HD1 TRP 26 7.531 4.688 -17.062 203 HE1 TRP 26 HE1 TRP 26 9.544 4.893 -18.757 204 HE3 TRP 26 HE3 TRP 26 8.545 -0.289 -17.269 205 HZ2 TRP 26 HZ2 TRP 26 11.294 2.991 -19.967 206 HZ3 TRP 26 HZ3 TRP 26 10.423 -1.033 -18.732 207 HH2 TRP 26 HH2 TRP 26 11.776 0.517 -20.052 208 H LEU 27 H LEU 27 3.600 1.233 -16.828 209 HA LEU 27 HA LEU 27 2.874 0.596 -14.097 210 1HB LEU 27 1HB LEU 27 0.807 1.507 -14.055 211 2HB LEU 27 2HB LEU 27 1.649 2.723 -14.995 212 HG LEU 27 HG LEU 27 -0.389 2.429 -16.098 213 1HD1 LEU 27 3HD1 LEU 27 1.892 2.027 -17.444 214 2HD1 LEU 27 1HD1 LEU 27 1.074 0.489 -17.810 215 3HD1 LEU 27 2HD1 LEU 27 0.291 2.034 -18.222 216 1HD2 LEU 27 3HD2 LEU 27 -0.412 -0.100 -14.913 217 2HD2 LEU 27 1HD2 LEU 27 -1.678 0.628 -15.932 218 3HD2 LEU 27 2HD2 LEU 27 -0.435 -0.414 -16.666 219 H ILE 28 H ILE 28 1.116 -1.169 -14.115 220 HA ILE 28 HA ILE 28 1.709 -2.925 -16.387 221 HB ILE 28 HB ILE 28 0.533 -3.969 -13.870 222 1HG1 ILE 28 1HG1 ILE 28 2.262 -2.301 -13.141 223 2HG1 ILE 28 2HG1 ILE 28 2.561 -3.953 -12.638 224 1HG2 ILE 28 1HG2 ILE 28 1.220 -5.234 -16.044 225 2HG2 ILE 28 2HG2 ILE 28 2.867 -5.098 -15.385 226 3HG2 ILE 28 3HG2 ILE 28 1.601 -5.932 -14.451 227 1HD1 ILE 28 2HD1 ILE 28 3.740 -3.109 -15.269 228 2HD1 ILE 28 3HD1 ILE 28 4.470 -2.437 -13.790 229 3HD1 ILE 28 1HD1 ILE 28 4.400 -4.200 -14.026 230 H LEU 29 H LEU 29 0.063 -3.789 -17.630 231 HA LEU 29 HA LEU 29 -2.666 -3.245 -16.764 232 1HB LEU 29 1HB LEU 29 -1.385 -1.587 -18.555 233 2HB LEU 29 2HB LEU 29 -2.228 -2.707 -19.607 234 HG LEU 29 HG LEU 29 -3.318 -0.660 -17.730 235 1HD1 LEU 29 3HD1 LEU 29 -3.144 -0.310 -20.189 236 2HD1 LEU 29 1HD1 LEU 29 -4.297 -1.646 -20.421 237 3HD1 LEU 29 2HD1 LEU 29 -4.802 -0.175 -19.555 238 1HD2 LEU 29 1HD2 LEU 29 -4.560 -3.353 -18.199 239 2HD2 LEU 29 2HD2 LEU 29 -4.462 -2.386 -16.708 240 3HD2 LEU 29 3HD2 LEU 29 -5.587 -1.913 -18.004 241 H HIS 30 H HIS 30 -3.610 -5.208 -16.692 242 HA HIS 30 HA HIS 30 -4.374 -7.149 -17.409 243 1HB HIS 30 1HB HIS 30 -4.061 -5.915 -19.757 244 2HB HIS 30 2HB HIS 30 -2.834 -7.148 -19.969 245 HD1 HIS 30 HD1 HIS 30 -3.997 -9.692 -19.013 246 HD2 HIS 30 HD2 HIS 30 -6.364 -6.792 -20.906 247 HE1 HIS 30 HE1 HIS 30 -6.049 -10.916 -19.908 248 HE2 HIS 30 HE2 HIS 30 -7.492 -9.073 -21.013 249 H TYR 31 H TYR 31 -0.964 -6.775 -18.626 250 HA TYR 31 HA TYR 31 0.114 -8.425 -16.638 251 1HB TYR 31 1HB TYR 31 0.345 -10.496 -17.878 252 2HB TYR 31 2HB TYR 31 -1.309 -10.009 -18.199 253 HD1 TYR 31 HD1 TYR 31 -2.056 -9.608 -20.411 254 HD2 TYR 31 HD2 TYR 31 2.135 -9.956 -19.623 255 HE1 TYR 31 HE1 TYR 31 -1.584 -9.673 -22.909 256 HE2 TYR 31 HE2 TYR 31 2.593 -10.020 -22.123 257 HH TYR 31 HH TYR 31 1.274 -9.065 -24.218 258 H LYS 32 H LYS 32 0.212 -6.254 -19.188 259 HA LYS 32 HA LYS 32 3.104 -6.638 -19.526 260 1HB LYS 32 1HB LYS 32 2.659 -5.137 -21.596 261 2HB LYS 32 2HB LYS 32 2.254 -6.841 -21.665 262 1HG LYS 32 1HG LYS 32 0.026 -5.269 -20.571 263 2HG LYS 32 2HG LYS 32 0.511 -4.667 -22.145 264 1HD LYS 32 1HD LYS 32 0.080 -6.744 -23.221 265 2HD LYS 32 2HD LYS 32 0.156 -7.649 -21.722 266 1HE LYS 32 1HE LYS 32 -2.124 -7.546 -21.738 267 2HE LYS 32 2HE LYS 32 -1.927 -5.892 -21.194 268 1HZ LYS 32 1HZ LYS 32 -1.585 -5.809 -23.897 269 2HZ LYS 32 2HZ LYS 32 -2.843 -6.829 -23.681 270 3HZ LYS 32 3HZ LYS 32 -2.902 -5.316 -23.067 271 H VAL 33 H VAL 33 4.104 -4.300 -20.170 272 HA VAL 33 HA VAL 33 3.102 -2.449 -18.116 273 HB VAL 33 HB VAL 33 5.424 -1.791 -17.746 274 1HG1 VAL 33 1HG1 VAL 33 4.179 -4.170 -16.913 275 2HG1 VAL 33 2HG1 VAL 33 5.861 -4.619 -17.288 276 3HG1 VAL 33 3HG1 VAL 33 5.525 -3.318 -16.121 277 1HG2 VAL 33 1HG2 VAL 33 5.967 -2.872 -20.196 278 2HG2 VAL 33 2HG2 VAL 33 7.194 -2.471 -18.971 279 3HG2 VAL 33 3HG2 VAL 33 6.589 -4.139 -19.111 280 H TYR 34 H TYR 34 2.891 -0.288 -18.702 281 HA TYR 34 HA TYR 34 3.645 0.332 -21.477 282 1HB TYR 34 1HB TYR 34 1.252 1.366 -19.849 283 2HB TYR 34 2HB TYR 34 1.486 1.549 -21.575 284 HD1 TYR 34 HD1 TYR 34 1.212 -1.207 -19.035 285 HD2 TYR 34 HD2 TYR 34 0.275 0.156 -22.980 286 HE1 TYR 34 HE1 TYR 34 -0.142 -3.318 -19.449 287 HE2 TYR 34 HE2 TYR 34 -1.075 -1.959 -23.383 288 HH TYR 34 HH TYR 34 -1.731 -3.852 -22.586 289 H ASP 35 H ASP 35 4.012 2.655 -21.903 290 HA ASP 35 HA ASP 35 5.209 3.847 -19.556 291 1HB ASP 35 1HB ASP 35 6.044 3.590 -22.209 292 2HB ASP 35 2HB ASP 35 5.477 5.247 -22.160 293 H LEU 36 H LEU 36 3.198 4.661 -18.580 294 HA LEU 36 HA LEU 36 1.213 6.020 -19.904 295 1HB LEU 36 1HB LEU 36 2.241 6.303 -17.081 296 2HB LEU 36 2HB LEU 36 0.766 7.047 -17.662 297 HG LEU 36 HG LEU 36 1.362 4.097 -17.372 298 1HD1 LEU 36 2HD1 LEU 36 0.218 6.011 -15.646 299 2HD1 LEU 36 3HD1 LEU 36 -1.121 4.994 -16.230 300 3HD1 LEU 36 1HD1 LEU 36 0.287 4.244 -15.440 301 1HD2 LEU 36 3HD2 LEU 36 -0.677 5.471 -19.057 302 2HD2 LEU 36 1HD2 LEU 36 0.159 3.919 -19.296 303 3HD2 LEU 36 2HD2 LEU 36 -1.188 4.035 -18.139 304 H THR 37 H THR 37 4.493 7.011 -19.104 305 HA THR 37 HA THR 37 4.204 9.765 -19.064 306 HB THR 37 HB THR 37 6.321 7.727 -19.466 307 HG1 THR 37 HG1 THR 37 6.129 10.460 -18.403 308 1HG2 THR 37 3HG2 THR 37 6.669 9.167 -21.539 309 2HG2 THR 37 1HG2 THR 37 6.760 10.588 -20.471 310 3HG2 THR 37 2HG2 THR 37 7.988 9.304 -20.351 311 H LYS 38 H LYS 38 3.710 7.526 -21.690 312 HA LYS 38 HA LYS 38 3.952 9.695 -23.628 313 1HB LYS 38 1HB LYS 38 3.771 6.690 -23.852 314 2HB LYS 38 2HB LYS 38 3.491 7.725 -25.237 315 1HG LYS 38 1HG LYS 38 5.750 8.852 -24.687 316 2HG LYS 38 2HG LYS 38 6.023 7.546 -23.551 317 1HD LYS 38 1HD LYS 38 7.020 6.605 -25.422 318 2HD LYS 38 2HD LYS 38 5.386 6.016 -25.661 319 1HE LYS 38 1HE LYS 38 5.890 8.733 -26.783 320 2HE LYS 38 2HE LYS 38 6.826 7.455 -27.534 321 1HZ LYS 38 1HZ LYS 38 4.748 6.239 -27.839 322 2HZ LYS 38 2HZ LYS 38 3.905 7.492 -27.217 323 3HZ LYS 38 3HZ LYS 38 4.732 7.676 -28.614 324 H PHE 39 H PHE 39 1.629 7.777 -21.798 325 HA PHE 39 HA PHE 39 -0.530 8.831 -23.465 326 1HB PHE 39 1HB PHE 39 -0.243 6.327 -22.824 327 2HB PHE 39 2HB PHE 39 -0.525 6.795 -21.159 328 HD1 PHE 39 HD1 PHE 39 -2.502 5.519 -20.817 329 HD2 PHE 39 HD2 PHE 39 -2.299 8.274 -24.038 330 HE1 PHE 39 HE1 PHE 39 -4.976 5.287 -21.173 331 HE2 PHE 39 HE2 PHE 39 -4.773 8.042 -24.394 332 HZ PHE 39 HZ PHE 39 -6.082 6.551 -22.957 333 H LEU 40 H LEU 40 1.225 10.177 -21.209 334 HA LEU 40 HA LEU 40 -0.501 10.613 -19.041 335 1HB LEU 40 1HB LEU 40 2.019 11.754 -20.094 336 2HB LEU 40 2HB LEU 40 1.084 12.795 -19.038 337 HG LEU 40 HG LEU 40 2.250 10.079 -18.397 338 1HD1 LEU 40 3HD1 LEU 40 3.711 12.136 -18.326 339 2HD1 LEU 40 1HD1 LEU 40 2.680 12.728 -17.002 340 3HD1 LEU 40 2HD1 LEU 40 3.598 11.215 -16.806 341 1HD2 LEU 40 3HD2 LEU 40 -0.055 11.449 -17.190 342 2HD2 LEU 40 1HD2 LEU 40 0.465 9.749 -17.088 343 3HD2 LEU 40 2HD2 LEU 40 1.208 10.972 -16.030 344 H GLU 41 H GLU 41 0.432 12.972 -21.645 345 HA GLU 41 HA GLU 41 -1.335 14.870 -21.179 346 1HB GLU 41 1HB GLU 41 0.130 13.923 -23.488 347 2HB GLU 41 2HB GLU 41 -1.446 14.481 -24.015 348 1HG GLU 41 1HG GLU 41 -0.218 16.288 -22.027 349 2HG GLU 41 2HG GLU 41 0.771 16.102 -23.462 350 H GLU 42 H GLU 42 -2.081 12.089 -23.413 351 HA GLU 42 HA GLU 42 -4.699 12.704 -23.801 352 1HB GLU 42 1HB GLU 42 -2.950 10.570 -24.424 353 2HB GLU 42 2HB GLU 42 -4.305 9.810 -23.615 354 1HG GLU 42 1HG GLU 42 -5.890 10.682 -25.196 355 2HG GLU 42 2HG GLU 42 -4.750 11.861 -25.817 356 H HIS 43 H HIS 43 -6.398 10.662 -23.031 357 HA HIS 43 HA HIS 43 -7.443 9.674 -21.327 358 1HB HIS 43 1HB HIS 43 -5.013 9.671 -20.252 359 2HB HIS 43 2HB HIS 43 -5.713 10.894 -19.210 360 HD1 HIS 43 HD1 HIS 43 -7.669 10.148 -17.605 361 HD2 HIS 43 HD2 HIS 43 -5.919 7.044 -19.816 362 HE1 HIS 43 HE1 HIS 43 -8.452 7.972 -16.525 363 HE2 HIS 43 HE2 HIS 43 -7.388 6.100 -17.961 364 HA PRO 44 HA PRO 44 -9.965 13.085 -20.445 365 1HB PRO 44 1HB PRO 44 -12.009 11.817 -19.146 366 2HB PRO 44 2HB PRO 44 -11.871 11.872 -20.893 367 1HG PRO 44 1HG PRO 44 -11.324 9.620 -19.058 368 2HG PRO 44 2HG PRO 44 -11.602 9.583 -20.787 369 1HD PRO 44 1HD PRO 44 -9.077 9.339 -19.449 370 2HD PRO 44 2HD PRO 44 -9.343 9.418 -21.181 371 H GLY 45 H GLY 45 -9.409 10.867 -17.766 372 1HA GLY 45 2HA GLY 45 -8.942 11.270 -15.607 373 2HA GLY 45 1HA GLY 45 -10.052 12.623 -15.708 374 H GLY 46 H GLY 46 -6.864 11.987 -17.335 375 1HA GLY 46 2HA GLY 46 -5.726 14.276 -15.884 376 2HA GLY 46 1HA GLY 46 -5.747 14.307 -17.636 377 H GLU 47 H GLU 47 -3.354 14.317 -15.992 378 HA GLU 47 HA GLU 47 -2.097 12.044 -17.192 379 1HB GLU 47 1HB GLU 47 -1.059 14.459 -15.658 380 2HB GLU 47 2HB GLU 47 0.000 13.160 -16.173 381 1HG GLU 47 1HG GLU 47 0.187 14.341 -18.120 382 2HG GLU 47 2HG GLU 47 -1.377 13.658 -18.515 383 H GLU 48 H GLU 48 -2.683 13.379 -13.882 384 HA GLU 48 HA GLU 48 -1.247 11.598 -12.441 385 1HB GLU 48 1HB GLU 48 -3.228 13.560 -11.942 386 2HB GLU 48 2HB GLU 48 -3.829 12.109 -11.164 387 1HG GLU 48 1HG GLU 48 -2.167 12.109 -9.579 388 2HG GLU 48 2HG GLU 48 -0.928 12.568 -10.729 389 H VAL 49 H VAL 49 -4.614 11.236 -13.716 390 HA VAL 49 HA VAL 49 -5.406 8.946 -12.556 391 HB VAL 49 HB VAL 49 -6.616 10.347 -14.222 392 1HG1 VAL 49 1HG1 VAL 49 -4.514 9.928 -15.883 393 2HG1 VAL 49 2HG1 VAL 49 -5.648 8.698 -16.489 394 3HG1 VAL 49 3HG1 VAL 49 -6.136 10.409 -16.435 395 1HG2 VAL 49 1HG2 VAL 49 -7.048 7.776 -13.514 396 2HG2 VAL 49 2HG2 VAL 49 -8.125 8.691 -14.597 397 3HG2 VAL 49 3HG2 VAL 49 -6.908 7.585 -15.278 398 H LEU 50 H LEU 50 -2.714 9.383 -14.791 399 HA LEU 50 HA LEU 50 -2.413 6.468 -14.929 400 1HB LEU 50 1HB LEU 50 -1.129 8.587 -16.655 401 2HB LEU 50 2HB LEU 50 -1.006 6.851 -16.859 402 HG LEU 50 HG LEU 50 -3.785 7.557 -16.849 403 1HD1 LEU 50 1HD1 LEU 50 -2.022 9.329 -18.530 404 2HD1 LEU 50 2HD1 LEU 50 -3.681 8.920 -19.027 405 3HD1 LEU 50 3HD1 LEU 50 -3.396 9.767 -17.489 406 1HD2 LEU 50 2HD2 LEU 50 -2.411 5.632 -17.952 407 2HD2 LEU 50 3HD2 LEU 50 -3.869 6.261 -18.756 408 3HD2 LEU 50 1HD2 LEU 50 -2.258 6.771 -19.310 409 H ARG 51 H ARG 51 -0.800 9.585 -14.136 410 HA ARG 51 HA ARG 51 1.640 8.433 -13.496 411 1HB ARG 51 1HB ARG 51 0.853 10.970 -13.816 412 2HB ARG 51 2HB ARG 51 0.622 10.912 -12.079 413 1HG ARG 51 1HG ARG 51 3.149 9.719 -12.464 414 2HG ARG 51 2HG ARG 51 3.125 11.032 -13.625 415 1HD ARG 51 1HD ARG 51 2.016 11.877 -11.032 416 2HD ARG 51 2HD ARG 51 3.642 11.248 -10.856 417 HE ARG 51 HE ARG 51 3.342 13.113 -13.103 418 1HH1 ARG 51 2HH1 ARG 51 4.459 15.102 -12.980 419 2HH1 ARG 51 1HH1 ARG 51 5.127 15.628 -11.471 420 1HH2 ARG 51 2HH2 ARG 51 4.039 12.803 -9.668 421 2HH2 ARG 51 1HH2 ARG 51 4.886 14.311 -9.574 422 H GLU 52 H GLU 52 -1.240 9.361 -11.495 423 HA GLU 52 HA GLU 52 -0.163 8.735 -9.049 424 1HB GLU 52 1HB GLU 52 -2.744 9.412 -10.143 425 2HB GLU 52 2HB GLU 52 -2.961 8.069 -9.039 426 1HG GLU 52 1HG GLU 52 -1.300 10.498 -8.260 427 2HG GLU 52 2HG GLU 52 -3.041 10.482 -8.055 428 H GLN 53 H GLN 53 -0.993 6.666 -11.696 429 HA GLN 53 HA GLN 53 -1.186 4.387 -9.901 430 1HB GLN 53 1HB GLN 53 -2.078 3.157 -11.845 431 2HB GLN 53 2HB GLN 53 -3.007 4.613 -11.553 432 1HG GLN 53 1HG GLN 53 -1.885 5.794 -13.365 433 2HG GLN 53 2HG GLN 53 -0.706 4.512 -13.552 434 1HE2 GLN 53 1HE2 GLN 53 -3.963 5.561 -14.120 435 2HE2 GLN 53 2HE2 GLN 53 -4.455 4.307 -15.208 436 H ALA 54 H ALA 54 0.800 5.981 -12.355 437 HA ALA 54 HA ALA 54 2.362 3.886 -13.220 438 1HB ALA 54 2HB ALA 54 2.755 6.849 -12.835 439 2HB ALA 54 3HB ALA 54 4.135 5.839 -13.327 440 3HB ALA 54 1HB ALA 54 2.673 5.904 -14.341 441 H GLY 55 H GLY 55 3.933 2.616 -12.321 442 1HA GLY 55 2HA GLY 55 4.891 3.394 -9.631 443 2HA GLY 55 1HA GLY 55 5.863 2.565 -10.830 444 H GLY 56 H GLY 56 3.214 1.048 -11.629 445 1HA GLY 56 2HA GLY 56 2.606 -0.569 -9.341 446 2HA GLY 56 1HA GLY 56 3.718 -1.362 -10.440 447 H ASP 57 H ASP 57 1.399 -2.666 -10.201 448 HA ASP 57 HA ASP 57 0.347 -2.506 -12.795 449 1HB ASP 57 1HB ASP 57 0.146 -4.675 -12.071 450 2HB ASP 57 2HB ASP 57 0.046 -4.206 -10.387 451 H ALA 58 H ALA 58 -1.489 -1.367 -13.496 452 HA ALA 58 HA ALA 58 -3.103 -0.099 -11.392 453 1HB ALA 58 1HB ALA 58 -1.625 1.154 -13.279 454 2HB ALA 58 2HB ALA 58 -3.133 0.923 -14.198 455 3HB ALA 58 3HB ALA 58 -3.157 1.811 -12.654 456 H THR 59 H THR 59 -2.996 -2.426 -13.963 457 HA THR 59 HA THR 59 -5.466 -2.342 -15.097 458 HB THR 59 HB THR 59 -3.295 -4.060 -15.047 459 HG1 THR 59 HG1 THR 59 -5.650 -5.225 -16.031 460 1HG2 THR 59 3HG2 THR 59 -5.742 -5.540 -13.941 461 2HG2 THR 59 1HG2 THR 59 -4.266 -6.312 -14.568 462 3HG2 THR 59 2HG2 THR 59 -4.194 -5.333 -13.085 463 H GLU 60 H GLU 60 -4.626 -3.733 -11.872 464 HA GLU 60 HA GLU 60 -6.987 -4.857 -11.264 465 1HB GLU 60 1HB GLU 60 -6.423 -4.136 -8.839 466 2HB GLU 60 2HB GLU 60 -5.240 -5.106 -9.694 467 1HG GLU 60 1HG GLU 60 -3.722 -3.484 -9.226 468 2HG GLU 60 2HG GLU 60 -4.544 -2.485 -10.410 469 H ASN 61 H ASN 61 -6.163 -1.377 -11.329 470 HA ASN 61 HA ASN 61 -8.720 -0.715 -10.199 471 1HB ASN 61 1HB ASN 61 -6.197 0.540 -10.270 472 2HB ASN 61 2HB ASN 61 -7.145 1.496 -11.392 473 1HD2 ASN 61 1HD2 ASN 61 -6.310 1.020 -8.216 474 2HD2 ASN 61 2HD2 ASN 61 -7.562 1.909 -7.414 475 H PHE 62 H PHE 62 -6.795 -0.186 -13.247 476 HA PHE 62 HA PHE 62 -8.630 1.192 -14.712 477 1HB PHE 62 1HB PHE 62 -6.684 0.899 -15.951 478 2HB PHE 62 2HB PHE 62 -6.275 -0.560 -15.071 479 HD1 PHE 62 HD1 PHE 62 -7.395 0.769 -18.170 480 HD2 PHE 62 HD2 PHE 62 -7.491 -2.727 -15.765 481 HE1 PHE 62 HE1 PHE 62 -7.953 -0.608 -20.194 482 HE2 PHE 62 HE2 PHE 62 -8.049 -4.103 -17.789 483 HZ PHE 62 HZ PHE 62 -8.274 -3.027 -19.979 484 H GLU 63 H GLU 63 -8.809 -2.118 -13.598 485 HA GLU 63 HA GLU 63 -10.655 -2.868 -15.658 486 1HB GLU 63 1HB GLU 63 -9.160 -4.218 -13.482 487 2HB GLU 63 2HB GLU 63 -10.769 -4.862 -13.733 488 1HG GLU 63 1HG GLU 63 -9.422 -4.374 -16.295 489 2HG GLU 63 2HG GLU 63 -8.460 -5.420 -15.270 490 H ASP 64 H ASP 64 -10.654 -1.871 -12.214 491 HA ASP 64 HA ASP 64 -13.293 -2.553 -11.700 492 1HB ASP 64 1HB ASP 64 -11.167 -1.500 -10.267 493 2HB ASP 64 2HB ASP 64 -12.233 -0.113 -10.360 494 H VAL 65 H VAL 65 -11.743 0.062 -13.476 495 HA VAL 65 HA VAL 65 -14.115 1.741 -13.353 496 HB VAL 65 HB VAL 65 -12.654 3.377 -13.560 497 1HG1 VAL 65 1HG1 VAL 65 -11.157 1.704 -12.398 498 2HG1 VAL 65 2HG1 VAL 65 -10.426 1.364 -13.985 499 3HG1 VAL 65 3HG1 VAL 65 -10.311 2.996 -13.282 500 1HG2 VAL 65 2HG2 VAL 65 -11.853 1.977 -16.123 501 2HG2 VAL 65 3HG2 VAL 65 -12.883 3.415 -15.918 502 3HG2 VAL 65 1HG2 VAL 65 -11.134 3.521 -15.605 503 H GLY 66 H GLY 66 -13.432 -1.046 -14.864 504 1HA GLY 66 2HA GLY 66 -15.346 -1.091 -16.721 505 2HA GLY 66 1HA GLY 66 -13.828 -1.945 -16.914 506 H HIS 67 H HIS 67 -11.933 -0.615 -17.848 507 HA HIS 67 HA HIS 67 -12.495 1.752 -19.238 508 1HB HIS 67 1HB HIS 67 -10.254 -0.233 -19.168 509 2HB HIS 67 2HB HIS 67 -10.300 0.921 -20.485 510 HD1 HIS 67 HD1 HIS 67 -10.110 0.807 -16.683 511 HD2 HIS 67 HD2 HIS 67 -9.465 3.487 -19.845 512 HE1 HIS 67 HE1 HIS 67 -9.007 2.867 -15.659 513 HE2 HIS 67 HE2 HIS 67 -8.584 4.455 -17.658 514 H SER 68 H SER 68 -11.730 1.624 -21.817 515 HA SER 68 HA SER 68 -13.743 -0.155 -22.930 516 1HB SER 68 1HB SER 68 -14.185 1.448 -24.558 517 2HB SER 68 2HB SER 68 -13.730 2.474 -23.211 518 HG SER 68 HG SER 68 -12.352 3.284 -24.661 519 H THR 69 H THR 69 -13.238 -1.388 -24.872 520 HA THR 69 HA THR 69 -10.756 -2.589 -24.890 521 HB THR 69 HB THR 69 -11.568 -3.376 -27.200 522 HG1 THR 69 HG1 THR 69 -14.003 -2.009 -26.514 523 1HG2 THR 69 3HG2 THR 69 -13.198 -3.506 -24.670 524 2HG2 THR 69 1HG2 THR 69 -14.006 -4.002 -26.177 525 3HG2 THR 69 2HG2 THR 69 -12.526 -4.833 -25.646 526 H ASP 70 H ASP 70 -11.830 0.405 -26.473 527 HA ASP 70 HA ASP 70 -9.728 0.544 -28.282 528 1HB ASP 70 1HB ASP 70 -11.781 1.942 -28.403 529 2HB ASP 70 2HB ASP 70 -11.330 2.759 -26.920 530 H ALA 71 H ALA 71 -10.230 1.714 -24.897 531 HA ALA 71 HA ALA 71 -7.905 3.232 -24.675 532 1HB ALA 71 2HB ALA 71 -8.277 2.839 -22.204 533 2HB ALA 71 3HB ALA 71 -9.704 3.438 -23.082 534 3HB ALA 71 1HB ALA 71 -9.586 1.716 -22.643 535 H ARG 72 H ARG 72 -8.580 -0.263 -24.037 536 HA ARG 72 HA ARG 72 -6.063 -0.806 -23.026 537 1HB ARG 72 1HB ARG 72 -7.830 -2.757 -24.578 538 2HB ARG 72 2HB ARG 72 -6.661 -3.158 -23.335 539 1HG ARG 72 1HG ARG 72 -8.011 -1.978 -21.628 540 2HG ARG 72 2HG ARG 72 -9.145 -1.447 -22.853 541 1HD ARG 72 1HD ARG 72 -9.081 -4.209 -23.264 542 2HD ARG 72 2HD ARG 72 -8.911 -4.088 -21.524 543 HE ARG 72 HE ARG 72 -11.022 -2.363 -22.596 544 1HH1 ARG 72 2HH1 ARG 72 -13.184 -2.857 -22.040 545 2HH1 ARG 72 1HH1 ARG 72 -13.569 -4.402 -21.358 546 1HH2 ARG 72 2HH2 ARG 72 -10.255 -5.592 -21.429 547 2HH2 ARG 72 1HH2 ARG 72 -11.893 -5.968 -21.007 548 H GLU 73 H GLU 73 -7.454 -0.962 -26.360 549 HA GLU 73 HA GLU 73 -5.230 -2.136 -27.535 550 1HB GLU 73 1HB GLU 73 -7.739 -0.856 -28.397 551 2HB GLU 73 2HB GLU 73 -6.430 -0.570 -29.528 552 1HG GLU 73 1HG GLU 73 -5.962 -3.019 -29.626 553 2HG GLU 73 2HG GLU 73 -7.244 -3.319 -28.469 554 H LEU 74 H LEU 74 -6.182 1.301 -26.995 555 HA LEU 74 HA LEU 74 -4.157 2.468 -28.496 556 1HB LEU 74 1HB LEU 74 -5.169 4.317 -27.854 557 2HB LEU 74 2HB LEU 74 -6.291 3.301 -26.970 558 HG LEU 74 HG LEU 74 -4.404 3.501 -25.082 559 1HD1 LEU 74 2HD1 LEU 74 -3.598 5.444 -27.063 560 2HD1 LEU 74 3HD1 LEU 74 -4.010 6.244 -25.527 561 3HD1 LEU 74 1HD1 LEU 74 -2.790 4.949 -25.556 562 1HD2 LEU 74 3HD2 LEU 74 -6.931 4.689 -25.619 563 2HD2 LEU 74 1HD2 LEU 74 -6.146 4.398 -24.048 564 3HD2 LEU 74 2HD2 LEU 74 -5.884 5.938 -24.902 565 H SER 75 H SER 75 -4.227 1.252 -25.109 566 HA SER 75 HA SER 75 -1.823 2.287 -24.313 567 1HB SER 75 1HB SER 75 -2.283 -0.428 -23.288 568 2HB SER 75 2HB SER 75 -2.250 1.098 -22.424 569 HG SER 75 HG SER 75 -4.357 0.034 -22.367 570 H LYS 76 H LYS 76 -2.600 -0.501 -26.387 571 HA LYS 76 HA LYS 76 -0.163 -1.836 -26.231 572 1HB LYS 76 1HB LYS 76 -1.002 -3.166 -27.881 573 2HB LYS 76 2HB LYS 76 -2.493 -2.429 -27.331 574 1HG LYS 76 1HG LYS 76 -2.771 -1.910 -29.548 575 2HG LYS 76 2HG LYS 76 -1.719 -0.560 -29.174 576 1HD LYS 76 1HD LYS 76 0.271 -1.963 -29.831 577 2HD LYS 76 2HD LYS 76 -0.815 -3.266 -30.269 578 1HE LYS 76 1HE LYS 76 -1.157 -0.498 -31.480 579 2HE LYS 76 2HE LYS 76 0.006 -1.624 -32.149 580 1HZ LYS 76 1HZ LYS 76 -2.419 -2.942 -31.727 581 2HZ LYS 76 2HZ LYS 76 -2.706 -1.577 -32.579 582 3HZ LYS 76 3HZ LYS 76 -1.635 -2.678 -33.135 583 H THR 77 H THR 77 -1.003 1.259 -27.570 584 HA THR 77 HA THR 77 1.216 1.272 -29.434 585 HB THR 77 HB THR 77 -1.185 2.396 -29.612 586 HG1 THR 77 HG1 THR 77 0.108 4.211 -30.737 587 1HG2 THR 77 2HG2 THR 77 -0.196 3.830 -27.391 588 2HG2 THR 77 3HG2 THR 77 0.105 4.910 -28.773 589 3HG2 THR 77 1HG2 THR 77 -1.545 4.331 -28.438 590 H PHE 78 H PHE 78 0.627 1.961 -26.072 591 HA PHE 78 HA PHE 78 3.083 3.555 -25.988 592 1HB PHE 78 1HB PHE 78 0.681 3.083 -24.133 593 2HB PHE 78 2HB PHE 78 2.116 3.913 -23.563 594 HD1 PHE 78 HD1 PHE 78 -1.039 4.571 -24.458 595 HD2 PHE 78 HD2 PHE 78 2.876 5.722 -25.623 596 HE1 PHE 78 HE1 PHE 78 -1.941 6.737 -25.347 597 HE2 PHE 78 HE2 PHE 78 1.973 7.889 -26.512 598 HZ PHE 78 HZ PHE 78 -0.424 8.371 -26.364 599 H ILE 79 H ILE 79 2.025 0.373 -25.703 600 HA ILE 79 HA ILE 79 3.142 -0.526 -23.347 601 HB ILE 79 HB ILE 79 2.374 -1.675 -25.956 602 1HG1 ILE 79 1HG1 ILE 79 1.758 -2.100 -23.047 603 2HG1 ILE 79 2HG1 ILE 79 0.677 -1.701 -24.365 604 1HG2 ILE 79 2HG2 ILE 79 4.230 -3.158 -24.076 605 2HG2 ILE 79 3HG2 ILE 79 3.333 -3.881 -25.432 606 3HG2 ILE 79 1HG2 ILE 79 4.585 -2.656 -25.747 607 1HD1 ILE 79 1HD1 ILE 79 1.359 -4.039 -25.349 608 2HD1 ILE 79 2HD1 ILE 79 1.931 -4.377 -23.697 609 3HD1 ILE 79 3HD1 ILE 79 0.219 -3.985 -23.983 610 H ILE 80 H ILE 80 5.187 -0.755 -22.584 611 HA ILE 80 HA ILE 80 7.334 -0.225 -24.511 612 HB ILE 80 HB ILE 80 8.473 0.104 -22.074 613 1HG1 ILE 80 1HG1 ILE 80 5.678 1.223 -21.751 614 2HG1 ILE 80 2HG1 ILE 80 6.206 -0.278 -21.015 615 1HG2 ILE 80 2HG2 ILE 80 8.476 1.583 -24.124 616 2HG2 ILE 80 3HG2 ILE 80 6.979 2.313 -23.497 617 3HG2 ILE 80 1HG2 ILE 80 8.484 2.423 -22.555 618 1HD1 ILE 80 2HD1 ILE 80 8.090 0.966 -19.895 619 2HD1 ILE 80 3HD1 ILE 80 7.442 2.478 -20.574 620 3HD1 ILE 80 1HD1 ILE 80 6.480 1.546 -19.404 621 H GLY 81 H GLY 81 6.009 -2.459 -22.087 622 1HA GLY 81 2HA GLY 81 8.167 -4.080 -21.560 623 2HA GLY 81 1HA GLY 81 7.576 -4.609 -23.123 624 H GLU 82 H GLU 82 7.526 -6.007 -20.466 625 HA GLU 82 HA GLU 82 4.742 -5.979 -19.777 626 1HB GLU 82 1HB GLU 82 5.812 -8.691 -20.510 627 2HB GLU 82 2HB GLU 82 4.158 -8.112 -20.514 628 1HG GLU 82 1HG GLU 82 4.682 -6.675 -22.509 629 2HG GLU 82 2HG GLU 82 6.320 -7.298 -22.515 630 H LEU 83 H LEU 83 4.315 -7.516 -17.876 631 HA LEU 83 HA LEU 83 6.448 -7.199 -16.013 632 1HB LEU 83 1HB LEU 83 3.915 -7.002 -15.648 633 2HB LEU 83 2HB LEU 83 3.906 -8.754 -15.592 634 HG LEU 83 HG LEU 83 4.288 -8.590 -13.409 635 1HD1 LEU 83 2HD1 LEU 83 6.555 -9.168 -14.082 636 2HD1 LEU 83 3HD1 LEU 83 6.975 -7.444 -14.217 637 3HD1 LEU 83 1HD1 LEU 83 6.571 -8.141 -12.629 638 1HD2 LEU 83 2HD2 LEU 83 3.706 -6.020 -13.903 639 2HD2 LEU 83 3HD2 LEU 83 4.152 -6.626 -12.289 640 3HD2 LEU 83 1HD2 LEU 83 5.372 -5.826 -13.308 641 H HIS 84 H HIS 84 8.098 -8.568 -15.621 642 HA HIS 84 HA HIS 84 8.223 -11.010 -17.051 643 1HB HIS 84 1HB HIS 84 10.024 -9.247 -15.827 644 2HB HIS 84 2HB HIS 84 10.174 -10.731 -14.909 645 HD1 HIS 84 HD1 HIS 84 9.326 -11.010 -18.556 646 HD2 HIS 84 HD2 HIS 84 12.718 -11.203 -16.096 647 HE1 HIS 84 HE1 HIS 84 11.194 -11.988 -19.991 648 HE2 HIS 84 HE2 HIS 84 13.267 -12.030 -18.441 649 HA PRO 85 HA PRO 85 7.084 -13.847 -13.955 650 1HB PRO 85 1HB PRO 85 9.165 -15.563 -13.507 651 2HB PRO 85 2HB PRO 85 8.121 -15.668 -14.912 652 1HG PRO 85 1HG PRO 85 10.893 -14.658 -14.735 653 2HG PRO 85 2HG PRO 85 9.999 -15.165 -16.154 654 1HD PRO 85 1HD PRO 85 10.546 -12.469 -15.343 655 2HD PRO 85 2HD PRO 85 9.555 -12.975 -16.696 656 H ASP 86 H ASP 86 8.948 -11.436 -13.122 657 HA ASP 86 HA ASP 86 9.756 -12.349 -10.564 658 1HB ASP 86 1HB ASP 86 11.122 -10.591 -11.122 659 2HB ASP 86 2HB ASP 86 9.927 -9.875 -12.185 660 H ASP 87 H ASP 87 6.920 -10.860 -12.067 661 HA ASP 87 HA ASP 87 5.503 -11.100 -9.610 662 1HB ASP 87 1HB ASP 87 6.335 -8.454 -10.722 663 2HB ASP 87 2HB ASP 87 4.642 -8.568 -10.286 664 H ARG 88 H ARG 88 5.272 -12.513 -12.031 665 HA ARG 88 HA ARG 88 3.262 -11.188 -13.592 666 1HB ARG 88 1HB ARG 88 5.134 -13.433 -13.949 667 2HB ARG 88 2HB ARG 88 3.525 -13.861 -14.497 668 1HG ARG 88 1HG ARG 88 3.448 -12.030 -16.060 669 2HG ARG 88 2HG ARG 88 4.818 -11.231 -15.317 670 1HD ARG 88 1HD ARG 88 6.252 -12.348 -16.676 671 2HD ARG 88 2HD ARG 88 5.655 -13.888 -16.091 672 HE ARG 88 HE ARG 88 3.733 -12.848 -17.926 673 1HH1 ARG 88 2HH1 ARG 88 3.620 -13.613 -20.076 674 2HH1 ARG 88 1HH1 ARG 88 4.988 -14.401 -20.787 675 1HH2 ARG 88 2HH2 ARG 88 7.021 -14.101 -17.926 676 2HH2 ARG 88 1HH2 ARG 88 6.936 -14.682 -19.556 677 H SER 89 H SER 89 3.547 -14.582 -12.296 678 HA SER 89 HA SER 89 0.768 -14.888 -12.220 679 1HB SER 89 1HB SER 89 2.740 -16.651 -12.312 680 2HB SER 89 2HB SER 89 2.662 -16.568 -10.563 681 HG SER 89 HG SER 89 0.136 -16.828 -11.705 682 H LYS 90 H LYS 90 1.375 -12.482 -10.853 683 HA LYS 90 HA LYS 90 0.376 -13.174 -8.207 684 1HB LYS 90 1HB LYS 90 3.061 -12.260 -8.719 685 2HB LYS 90 2HB LYS 90 2.192 -11.032 -7.820 686 1HG LYS 90 1HG LYS 90 1.443 -12.825 -6.191 687 2HG LYS 90 2HG LYS 90 2.439 -13.979 -7.056 688 1HD LYS 90 1HD LYS 90 4.475 -12.763 -6.511 689 2HD LYS 90 2HD LYS 90 3.569 -11.394 -5.899 690 1HE LYS 90 1HE LYS 90 2.945 -12.504 -3.919 691 2HE LYS 90 2HE LYS 90 3.093 -14.097 -4.635 692 1HZ LYS 90 2HZ LYS 90 5.551 -12.686 -4.638 693 2HZ LYS 90 3HZ LYS 90 4.958 -12.865 -3.128 694 3HZ LYS 90 1HZ LYS 90 5.214 -14.177 -4.067 695 H ILE 91 H ILE 91 0.974 -10.834 -10.844 696 HA ILE 91 HA ILE 91 -1.371 -9.359 -9.870 697 HB ILE 91 HB ILE 91 -0.357 -7.376 -10.021 698 1HG1 ILE 91 1HG1 ILE 91 1.121 -8.502 -12.396 699 2HG1 ILE 91 2HG1 ILE 91 -0.080 -7.227 -12.354 700 1HG2 ILE 91 1HG2 ILE 91 1.150 -9.050 -8.683 701 2HG2 ILE 91 2HG2 ILE 91 2.306 -8.753 -10.004 702 3HG2 ILE 91 3HG2 ILE 91 1.713 -7.395 -9.019 703 1HD1 ILE 91 3HD1 ILE 91 2.697 -7.048 -11.096 704 2HD1 ILE 91 1HD1 ILE 91 2.221 -6.317 -12.646 705 3HD1 ILE 91 2HD1 ILE 91 1.484 -5.747 -11.129 706 H THR 92 H THR 92 0.544 -10.717 -12.548 707 HA THR 92 HA THR 92 -0.647 -9.719 -14.752 708 HB THR 92 HB THR 92 1.174 -11.553 -14.438 709 HG1 THR 92 HG1 THR 92 0.700 -12.041 -16.613 710 1HG2 THR 92 1HG2 THR 92 -0.741 -13.088 -13.297 711 2HG2 THR 92 2HG2 THR 92 -1.076 -13.486 -15.001 712 3HG2 THR 92 3HG2 THR 92 0.534 -13.803 -14.311 713 H LYS 93 H LYS 93 -2.098 -12.008 -12.417 714 HA LYS 93 HA LYS 93 -4.588 -11.747 -13.957 715 1HB LYS 93 1HB LYS 93 -3.284 -14.071 -13.564 716 2HB LYS 93 2HB LYS 93 -4.226 -14.036 -12.086 717 1HG LYS 93 1HG LYS 93 -6.185 -13.326 -13.825 718 2HG LYS 93 2HG LYS 93 -5.165 -14.216 -14.939 719 1HD LYS 93 1HD LYS 93 -6.214 -16.082 -14.158 720 2HD LYS 93 2HD LYS 93 -5.198 -15.912 -12.741 721 1HE LYS 93 1HE LYS 93 -7.272 -14.121 -12.202 722 2HE LYS 93 2HE LYS 93 -8.104 -15.413 -13.044 723 1HZ LYS 93 1HZ LYS 93 -6.410 -16.665 -11.324 724 2HZ LYS 93 2HZ LYS 93 -7.005 -15.418 -10.453 725 3HZ LYS 93 3HZ LYS 93 -8.023 -16.493 -11.141 726 HA PRO 94 HA PRO 94 -5.742 -9.629 -10.307 727 1HB PRO 94 1HB PRO 94 -8.092 -8.604 -11.253 728 2HB PRO 94 2HB PRO 94 -6.543 -7.819 -11.484 729 1HG PRO 94 1HG PRO 94 -8.166 -9.330 -13.440 730 2HG PRO 94 2HG PRO 94 -6.860 -8.198 -13.737 731 1HD PRO 94 1HD PRO 94 -6.719 -11.059 -13.886 732 2HD PRO 94 2HD PRO 94 -5.389 -9.934 -14.069 733 H SER 95 H SER 95 -7.916 -9.390 -8.975 734 HA SER 95 HA SER 95 -9.020 -12.089 -9.004 735 1HB SER 95 1HB SER 95 -7.805 -10.508 -6.811 736 2HB SER 95 2HB SER 95 -9.357 -11.204 -6.391 737 HG SER 95 HG SER 95 -8.123 -12.925 -5.962 738 H GLU 96 H GLU 96 -11.201 -12.026 -7.533 739 HA GLU 96 HA GLU 96 -12.921 -10.330 -8.939 740 1HB GLU 96 1HB GLU 96 -14.684 -11.303 -7.506 741 2HB GLU 96 2HB GLU 96 -13.608 -12.550 -8.108 742 1HG GLU 96 1HG GLU 96 -12.286 -12.203 -5.870 743 2HG GLU 96 2HG GLU 96 -13.714 -11.354 -5.314 744 H SER 97 H SER 97 -14.641 -8.931 -7.678 745 HA SER 97 HA SER 97 -13.108 -6.991 -6.264 746 1HB SER 97 1HB SER 97 -15.839 -7.168 -7.474 747 2HB SER 97 2HB SER 97 -15.668 -6.051 -6.133 748 HG SER 97 HG SER 97 -13.691 -5.995 -8.199 749 H ILE 98 H ILE 98 -14.157 -5.967 -4.189 750 HA ILE 98 HA ILE 98 -14.675 -8.180 -2.376 751 HB ILE 98 HB ILE 98 -12.982 -6.129 -2.173 752 1HG1 ILE 98 1HG1 ILE 98 -14.063 -6.721 0.466 753 2HG1 ILE 98 2HG1 ILE 98 -13.950 -8.166 -0.518 754 1HG2 ILE 98 3HG2 ILE 98 -14.971 -4.532 -2.187 755 2HG2 ILE 98 1HG2 ILE 98 -15.315 -5.124 -0.545 756 3HG2 ILE 98 2HG2 ILE 98 -13.766 -4.321 -0.893 757 1HD1 ILE 98 1HD1 ILE 98 -11.543 -7.129 -1.137 758 2HD1 ILE 98 2HD1 ILE 98 -11.764 -6.344 0.446 759 3HD1 ILE 98 3HD1 ILE 98 -11.788 -8.119 0.323 760 H ILE 99 H ILE 99 -16.512 -8.289 -1.001 761 HA ILE 99 HA ILE 99 -18.894 -7.467 -2.207 762 HB ILE 99 HB ILE 99 -19.953 -8.310 -0.179 763 1HG1 ILE 99 1HG1 ILE 99 -17.285 -8.971 1.020 764 2HG1 ILE 99 2HG1 ILE 99 -17.949 -7.367 1.264 765 1HG2 ILE 99 1HG2 ILE 99 -17.901 -9.826 -1.689 766 2HG2 ILE 99 2HG2 ILE 99 -18.525 -10.591 -0.207 767 3HG2 ILE 99 3HG2 ILE 99 -19.648 -10.113 -1.504 768 1HD1 ILE 99 1HD1 ILE 99 -19.857 -9.632 1.686 769 2HD1 ILE 99 2HD1 ILE 99 -18.541 -9.478 2.874 770 3HD1 ILE 99 3HD1 ILE 99 -19.662 -8.121 2.607 771 H THR 100 H THR 100 -20.608 -6.308 -0.518 772 HA THR 100 HA THR 100 -19.338 -3.712 0.045 773 HB THR 100 HB THR 100 -21.644 -2.815 -0.412 774 HG1 THR 100 HG1 THR 100 -23.165 -4.476 -1.195 775 1HG2 THR 100 1HG2 THR 100 -19.890 -3.967 -2.357 776 2HG2 THR 100 2HG2 THR 100 -21.534 -4.488 -2.796 777 3HG2 THR 100 3HG2 THR 100 -21.162 -2.754 -2.643 778 H THR 101 H THR 101 -21.061 -2.463 1.654 779 HA THR 101 HA THR 101 -21.119 -4.232 4.006 780 HB THR 101 HB THR 101 -20.734 -1.212 3.673 781 HG1 THR 101 HG1 THR 101 -18.710 -2.125 3.548 782 1HG2 THR 101 2HG2 THR 101 -20.823 -2.943 6.200 783 2HG2 THR 101 3HG2 THR 101 -20.295 -1.244 6.140 784 3HG2 THR 101 1HG2 THR 101 -21.988 -1.664 5.783 785 H ILE 102 H ILE 102 -22.852 -3.806 5.610 786 HA ILE 102 HA ILE 102 -25.321 -4.140 4.511 787 HB ILE 102 HB ILE 102 -26.198 -3.593 6.734 788 1HG1 ILE 102 1HG1 ILE 102 -23.415 -2.965 7.681 789 2HG1 ILE 102 2HG1 ILE 102 -24.414 -1.691 7.009 790 1HG2 ILE 102 2HG2 ILE 102 -24.535 -5.674 6.007 791 2HG2 ILE 102 3HG2 ILE 102 -23.836 -5.112 7.546 792 3HG2 ILE 102 1HG2 ILE 102 -25.548 -5.595 7.470 793 1HD1 ILE 102 3HD1 ILE 102 -26.236 -2.290 8.638 794 2HD1 ILE 102 1HD1 ILE 102 -25.145 -3.499 9.358 795 3HD1 ILE 102 2HD1 ILE 102 -24.733 -1.769 9.436 796 H ASP 103 H ASP 103 -27.281 -2.543 5.040 797 HA ASP 103 HA ASP 103 -26.453 0.027 3.939 798 1HB ASP 103 1HB ASP 103 -28.644 -1.860 3.279 799 2HB ASP 103 2HB ASP 103 -29.196 -0.208 3.465 800 H SER 104 H SER 104 -28.933 -1.725 5.949 801 HA SER 104 HA SER 104 -30.074 -1.168 7.707 802 1HB SER 104 1HB SER 104 -28.047 -0.748 8.897 803 2HB SER 104 2HB SER 104 -27.750 0.755 8.047 804 HG SER 104 HG SER 104 -29.554 1.713 9.151 No H/Q in entry = 804 Start of MODEL 12 1 H ALA 1 H ALA 1 29.019 -5.490 -31.015 2 HA ALA 1 HA ALA 1 31.311 -6.124 -31.939 3 1HB ALA 1 2HB ALA 1 30.464 -5.973 -34.288 4 2HB ALA 1 1HB ALA 1 31.901 -4.965 -34.000 5 3HB ALA 1 3HB ALA 1 30.290 -4.214 -34.079 6 H GLU 2 H GLU 2 29.451 -3.013 -32.215 7 HA GLU 2 HA GLU 2 30.871 -2.035 -29.943 8 1HB GLU 2 1HB GLU 2 32.488 -1.496 -31.719 9 2HB GLU 2 2HB GLU 2 31.238 -0.716 -32.668 10 1HG GLU 2 1HG GLU 2 31.157 1.164 -31.291 11 2HG GLU 2 2HG GLU 2 31.600 0.269 -29.852 12 H GLU 3 H GLU 3 28.254 -2.590 -29.937 13 HA GLU 3 HA GLU 3 27.077 -0.168 -29.383 14 1HB GLU 3 1HB GLU 3 25.374 -0.001 -31.184 15 2HB GLU 3 2HB GLU 3 26.998 0.221 -31.804 16 1HG GLU 3 1HG GLU 3 27.045 -1.915 -32.833 17 2HG GLU 3 2HG GLU 3 25.780 -2.553 -31.802 18 H SER 4 H SER 4 24.473 -0.552 -29.241 19 HA SER 4 HA SER 4 23.481 -3.089 -29.137 20 1HB SER 4 1HB SER 4 25.119 -2.382 -26.767 21 2HB SER 4 2HB SER 4 23.509 -2.949 -26.367 22 HG SER 4 HG SER 4 24.283 -4.915 -26.685 23 H SER 5 H SER 5 21.269 -3.104 -28.251 24 HA SER 5 HA SER 5 20.203 -1.090 -26.751 25 1HB SER 5 1HB SER 5 20.753 -0.154 -29.374 26 2HB SER 5 2HB SER 5 19.023 -0.429 -29.338 27 HG SER 5 HG SER 5 19.084 1.567 -28.480 28 H LYS 6 H LYS 6 17.883 -1.417 -26.440 29 HA LYS 6 HA LYS 6 16.411 -3.130 -28.131 30 1HB LYS 6 1HB LYS 6 16.251 -5.105 -26.790 31 2HB LYS 6 2HB LYS 6 17.946 -4.810 -27.120 32 1HG LYS 6 1HG LYS 6 17.326 -3.382 -24.714 33 2HG LYS 6 2HG LYS 6 16.598 -4.968 -24.552 34 1HD LYS 6 1HD LYS 6 18.675 -6.095 -24.773 35 2HD LYS 6 2HD LYS 6 19.442 -4.736 -25.570 36 1HE LYS 6 1HE LYS 6 18.516 -4.665 -22.661 37 2HE LYS 6 2HE LYS 6 20.144 -5.100 -23.142 38 1HZ LYS 6 1HZ LYS 6 20.036 -2.886 -24.402 39 2HZ LYS 6 2HZ LYS 6 18.811 -2.525 -23.384 40 3HZ LYS 6 3HZ LYS 6 20.293 -2.866 -22.790 41 H ALA 7 H ALA 7 14.343 -3.924 -26.648 42 HA ALA 7 HA ALA 7 13.568 -1.476 -25.220 43 1HB ALA 7 2HB ALA 7 11.836 -3.505 -26.685 44 2HB ALA 7 3HB ALA 7 11.285 -1.987 -25.936 45 3HB ALA 7 1HB ALA 7 12.364 -1.942 -27.352 46 H VAL 8 H VAL 8 12.308 -1.709 -23.268 47 HA VAL 8 HA VAL 8 13.208 -3.400 -21.419 48 HB VAL 8 HB VAL 8 11.847 -1.822 -20.548 49 1HG1 VAL 8 1HG1 VAL 8 10.447 -2.074 -23.097 50 2HG1 VAL 8 2HG1 VAL 8 9.327 -1.812 -21.736 51 3HG1 VAL 8 3HG1 VAL 8 10.649 -0.657 -22.038 52 1HG2 VAL 8 3HG2 VAL 8 10.007 -4.222 -20.795 53 2HG2 VAL 8 1HG2 VAL 8 11.125 -3.840 -19.463 54 3HG2 VAL 8 2HG2 VAL 8 9.688 -2.825 -19.739 55 H LYS 9 H LYS 9 10.006 -4.056 -23.014 56 HA LYS 9 HA LYS 9 9.118 -5.950 -23.753 57 1HB LYS 9 1HB LYS 9 11.911 -6.464 -24.030 58 2HB LYS 9 2HB LYS 9 11.173 -7.916 -23.385 59 1HG LYS 9 1HG LYS 9 9.312 -7.192 -25.298 60 2HG LYS 9 2HG LYS 9 10.792 -6.617 -26.040 61 1HD LYS 9 1HD LYS 9 11.771 -8.977 -25.426 62 2HD LYS 9 2HD LYS 9 10.101 -9.452 -25.189 63 1HE LYS 9 1HE LYS 9 10.038 -8.097 -27.650 64 2HE LYS 9 2HE LYS 9 11.564 -8.956 -27.704 65 1HZ LYS 9 3HZ LYS 9 10.291 -10.952 -27.013 66 2HZ LYS 9 1HZ LYS 9 8.909 -10.111 -27.237 67 3HZ LYS 9 2HZ LYS 9 9.907 -10.391 -28.498 68 H TYR 10 H TYR 10 11.402 -6.764 -21.041 69 HA TYR 10 HA TYR 10 9.049 -7.581 -19.499 70 1HB TYR 10 1HB TYR 10 11.332 -9.254 -18.900 71 2HB TYR 10 2HB TYR 10 9.826 -9.767 -19.633 72 HD1 TYR 10 HD1 TYR 10 9.727 -10.393 -21.922 73 HD2 TYR 10 HD2 TYR 10 13.211 -8.424 -20.408 74 HE1 TYR 10 HE1 TYR 10 10.964 -10.898 -24.086 75 HE2 TYR 10 HE2 TYR 10 14.434 -8.935 -22.576 76 HH TYR 10 HH TYR 10 13.844 -11.102 -24.508 77 H TYR 11 H TYR 11 9.043 -6.675 -17.500 78 HA TYR 11 HA TYR 11 11.639 -5.990 -16.325 79 1HB TYR 11 1HB TYR 11 9.420 -4.290 -17.317 80 2HB TYR 11 2HB TYR 11 9.672 -4.024 -15.603 81 HD1 TYR 11 HD1 TYR 11 10.123 -2.072 -17.976 82 HD2 TYR 11 HD2 TYR 11 12.754 -4.611 -15.753 83 HE1 TYR 11 HE1 TYR 11 12.070 -0.523 -18.498 84 HE2 TYR 11 HE2 TYR 11 14.692 -3.053 -16.283 85 HH TYR 11 HH TYR 11 14.690 -0.325 -16.898 86 H THR 12 H THR 12 11.204 -5.207 -13.918 87 HA THR 12 HA THR 12 9.324 -7.166 -12.783 88 HB THR 12 HB THR 12 10.869 -7.248 -10.899 89 HG1 THR 12 HG1 THR 12 12.689 -5.655 -11.005 90 1HG2 THR 12 2HG2 THR 12 11.704 -8.372 -13.066 91 2HG2 THR 12 3HG2 THR 12 12.665 -6.901 -13.348 92 3HG2 THR 12 1HG2 THR 12 12.977 -7.904 -11.911 93 H LEU 13 H LEU 13 7.981 -6.591 -11.014 94 HA LEU 13 HA LEU 13 6.579 -4.314 -11.268 95 1HB LEU 13 1HB LEU 13 7.049 -6.253 -9.084 96 2HB LEU 13 2HB LEU 13 6.344 -4.722 -8.605 97 HG LEU 13 HG LEU 13 5.226 -6.718 -10.585 98 1HD1 LEU 13 1HD1 LEU 13 5.028 -6.915 -7.968 99 2HD1 LEU 13 2HD1 LEU 13 3.763 -5.683 -8.188 100 3HD1 LEU 13 3HD1 LEU 13 3.634 -7.251 -9.023 101 1HD2 LEU 13 3HD2 LEU 13 4.400 -3.872 -10.031 102 2HD2 LEU 13 1HD2 LEU 13 4.688 -4.676 -11.593 103 3HD2 LEU 13 2HD2 LEU 13 3.248 -5.089 -10.634 104 H GLU 14 H GLU 14 9.669 -4.763 -9.516 105 HA GLU 14 HA GLU 14 9.617 -2.291 -8.241 106 1HB GLU 14 1HB GLU 14 11.424 -4.524 -8.529 107 2HB GLU 14 2HB GLU 14 12.332 -3.051 -8.802 108 1HG GLU 14 1HG GLU 14 12.453 -2.912 -6.528 109 2HG GLU 14 2HG GLU 14 10.802 -2.331 -6.611 110 H GLU 15 H GLU 15 11.046 -3.392 -11.380 111 HA GLU 15 HA GLU 15 12.309 -1.058 -12.029 112 1HB GLU 15 1HB GLU 15 10.958 -3.113 -13.830 113 2HB GLU 15 2HB GLU 15 12.025 -1.857 -14.424 114 1HG GLU 15 1HG GLU 15 13.006 -3.614 -12.170 115 2HG GLU 15 2HG GLU 15 12.958 -4.290 -13.787 116 H ILE 16 H ILE 16 8.866 -2.000 -12.345 117 HA ILE 16 HA ILE 16 8.185 0.296 -13.894 118 HB ILE 16 HB ILE 16 6.369 -1.530 -12.322 119 1HG1 ILE 16 1HG1 ILE 16 6.600 -2.146 -15.151 120 2HG1 ILE 16 2HG1 ILE 16 8.153 -2.293 -14.353 121 1HG2 ILE 16 2HG2 ILE 16 5.813 0.792 -13.726 122 2HG2 ILE 16 3HG2 ILE 16 5.438 -0.502 -14.888 123 3HG2 ILE 16 1HG2 ILE 16 4.654 -0.487 -13.291 124 1HD1 ILE 16 1HD1 ILE 16 5.812 -3.436 -12.876 125 2HD1 ILE 16 2HD1 ILE 16 6.312 -4.286 -14.357 126 3HD1 ILE 16 3HD1 ILE 16 7.473 -4.056 -13.028 127 H GLN 17 H GLN 17 8.386 -0.555 -10.441 128 HA GLN 17 HA GLN 17 6.844 1.570 -9.520 129 1HB GLN 17 1HB GLN 17 7.950 -0.614 -8.362 130 2HB GLN 17 2HB GLN 17 9.139 0.574 -7.863 131 1HG GLN 17 1HG GLN 17 6.395 1.581 -7.518 132 2HG GLN 17 2HG GLN 17 6.644 0.084 -6.644 133 1HE2 GLN 17 1HE2 GLN 17 6.161 2.044 -5.068 134 2HE2 GLN 17 2HE2 GLN 17 7.558 2.700 -4.281 135 H LYS 18 H LYS 18 10.200 1.303 -10.635 136 HA LYS 18 HA LYS 18 11.107 3.698 -9.431 137 1HB LYS 18 1HB LYS 18 12.197 2.196 -11.830 138 2HB LYS 18 2HB LYS 18 13.043 3.417 -10.901 139 1HG LYS 18 1HG LYS 18 11.889 1.029 -9.448 140 2HG LYS 18 2HG LYS 18 13.367 0.819 -10.366 141 1HD LYS 18 1HD LYS 18 12.973 2.970 -8.231 142 2HD LYS 18 2HD LYS 18 13.745 1.425 -7.934 143 1HE LYS 18 1HE LYS 18 15.381 2.014 -9.842 144 2HE LYS 18 2HE LYS 18 14.700 3.628 -9.816 145 1HZ LYS 18 3HZ LYS 18 15.272 3.709 -7.443 146 2HZ LYS 18 1HZ LYS 18 16.025 2.267 -7.577 147 3HZ LYS 18 2HZ LYS 18 16.582 3.558 -8.406 148 H HIS 19 H HIS 19 9.382 2.859 -12.431 149 HA HIS 19 HA HIS 19 9.713 5.569 -13.401 150 1HB HIS 19 1HB HIS 19 8.940 2.956 -14.542 151 2HB HIS 19 2HB HIS 19 8.039 4.320 -15.172 152 HD1 HIS 19 HD1 HIS 19 11.517 2.866 -15.039 153 HD2 HIS 19 HD2 HIS 19 9.514 6.115 -16.777 154 HE1 HIS 19 HE1 HIS 19 13.120 3.857 -16.758 155 HE2 HIS 19 HE2 HIS 19 11.814 5.816 -17.830 156 H ASN 20 H ASN 20 8.557 6.706 -11.729 157 HA ASN 20 HA ASN 20 5.705 6.521 -12.163 158 1HB ASN 20 1HB ASN 20 5.982 5.216 -10.121 159 2HB ASN 20 2HB ASN 20 7.101 6.386 -9.448 160 1HD2 ASN 20 1HD2 ASN 20 4.239 7.273 -11.260 161 2HD2 ASN 20 2HD2 ASN 20 3.322 7.950 -9.955 162 H ASN 21 H ASN 21 7.907 8.363 -12.998 163 HA ASN 21 HA ASN 21 7.290 10.688 -11.364 164 1HB ASN 21 1HB ASN 21 9.635 9.862 -13.075 165 2HB ASN 21 2HB ASN 21 9.287 11.576 -12.982 166 1HD2 ASN 21 1HD2 ASN 21 11.590 10.205 -11.998 167 2HD2 ASN 21 2HD2 ASN 21 11.682 10.440 -10.285 168 H SER 22 H SER 22 7.231 12.827 -12.781 169 HA SER 22 HA SER 22 5.194 12.520 -14.649 170 1HB SER 22 1HB SER 22 5.645 14.976 -15.116 171 2HB SER 22 2HB SER 22 5.355 14.584 -13.433 172 HG SER 22 HG SER 22 8.061 14.457 -14.235 173 H LYS 23 H LYS 23 8.562 11.972 -14.884 174 HA LYS 23 HA LYS 23 8.470 12.376 -17.793 175 1HB LYS 23 1HB LYS 23 10.229 13.515 -16.004 176 2HB LYS 23 2HB LYS 23 11.122 12.110 -16.544 177 1HG LYS 23 1HG LYS 23 9.767 13.462 -18.781 178 2HG LYS 23 2HG LYS 23 10.846 14.547 -17.928 179 1HD LYS 23 1HD LYS 23 12.582 12.573 -18.072 180 2HD LYS 23 2HD LYS 23 11.519 11.926 -19.307 181 1HE LYS 23 1HE LYS 23 12.220 13.447 -20.852 182 2HE LYS 23 2HE LYS 23 12.015 14.788 -19.741 183 1HZ LYS 23 2HZ LYS 23 14.200 13.230 -18.949 184 2HZ LYS 23 3HZ LYS 23 14.374 13.633 -20.522 185 3HZ LYS 23 1HZ LYS 23 14.174 14.800 -19.397 186 H SER 24 H SER 24 8.372 10.119 -15.248 187 HA SER 24 HA SER 24 9.031 8.041 -17.158 188 1HB SER 24 1HB SER 24 10.405 8.585 -14.572 189 2HB SER 24 2HB SER 24 9.940 6.912 -14.813 190 HG SER 24 HG SER 24 11.738 8.531 -16.356 191 H THR 25 H THR 25 6.667 7.865 -17.312 192 HA THR 25 HA THR 25 5.404 6.836 -14.861 193 HB THR 25 HB THR 25 3.791 7.598 -17.273 194 HG1 THR 25 HG1 THR 25 5.241 9.436 -15.498 195 1HG2 THR 25 1HG2 THR 25 3.699 8.019 -14.259 196 2HG2 THR 25 2HG2 THR 25 2.704 9.022 -15.341 197 3HG2 THR 25 3HG2 THR 25 2.481 7.257 -15.308 198 H TRP 26 H TRP 26 5.678 4.680 -14.735 199 HA TRP 26 HA TRP 26 4.979 3.173 -17.163 200 1HB TRP 26 1HB TRP 26 7.140 2.591 -15.133 201 2HB TRP 26 2HB TRP 26 6.557 1.420 -16.299 202 HD1 TRP 26 HD1 TRP 26 7.375 5.162 -17.050 203 HE1 TRP 26 HE1 TRP 26 9.212 5.348 -18.935 204 HE3 TRP 26 HE3 TRP 26 8.213 0.163 -17.459 205 HZ2 TRP 26 HZ2 TRP 26 10.774 3.427 -20.354 206 HZ3 TRP 26 HZ3 TRP 26 9.910 -0.598 -19.118 207 HH2 TRP 26 HH2 TRP 26 11.171 0.943 -20.537 208 H LEU 27 H LEU 27 3.614 1.355 -16.809 209 HA LEU 27 HA LEU 27 2.923 0.648 -14.107 210 1HB LEU 27 1HB LEU 27 0.745 1.352 -14.041 211 2HB LEU 27 2HB LEU 27 1.568 2.721 -14.767 212 HG LEU 27 HG LEU 27 -0.329 2.560 -16.062 213 1HD1 LEU 27 3HD1 LEU 27 1.970 2.199 -17.330 214 2HD1 LEU 27 1HD1 LEU 27 1.203 0.658 -17.779 215 3HD1 LEU 27 2HD1 LEU 27 0.412 2.199 -18.189 216 1HD2 LEU 27 3HD2 LEU 27 -0.456 -0.084 -15.077 217 2HD2 LEU 27 1HD2 LEU 27 -1.698 0.819 -15.979 218 3HD2 LEU 27 2HD2 LEU 27 -0.525 -0.195 -16.853 219 H ILE 28 H ILE 28 1.022 -1.101 -14.286 220 HA ILE 28 HA ILE 28 1.705 -2.751 -16.621 221 HB ILE 28 HB ILE 28 0.721 -4.062 -14.166 222 1HG1 ILE 28 1HG1 ILE 28 2.329 -2.202 -13.410 223 2HG1 ILE 28 2HG1 ILE 28 2.626 -3.836 -12.852 224 1HG2 ILE 28 2HG2 ILE 28 2.682 -4.610 -16.374 225 2HG2 ILE 28 3HG2 ILE 28 2.755 -5.539 -14.857 226 3HG2 ILE 28 1HG2 ILE 28 1.271 -5.556 -15.841 227 1HD1 ILE 28 2HD1 ILE 28 3.935 -2.914 -15.416 228 2HD1 ILE 28 3HD1 ILE 28 4.612 -2.398 -13.854 229 3HD1 ILE 28 1HD1 ILE 28 4.492 -4.131 -14.243 230 H LEU 29 H LEU 29 0.046 -3.497 -17.883 231 HA LEU 29 HA LEU 29 -2.661 -3.103 -16.825 232 1HB LEU 29 1HB LEU 29 -1.504 -1.482 -18.723 233 2HB LEU 29 2HB LEU 29 -2.355 -2.659 -19.704 234 HG LEU 29 HG LEU 29 -3.456 -0.651 -17.763 235 1HD1 LEU 29 2HD1 LEU 29 -3.204 -0.243 -20.257 236 2HD1 LEU 29 3HD1 LEU 29 -4.485 -1.458 -20.487 237 3HD1 LEU 29 1HD1 LEU 29 -4.822 0.027 -19.564 238 1HD2 LEU 29 3HD2 LEU 29 -4.380 -3.375 -17.976 239 2HD2 LEU 29 1HD2 LEU 29 -4.958 -2.054 -16.931 240 3HD2 LEU 29 2HD2 LEU 29 -5.623 -2.249 -18.572 241 H HIS 30 H HIS 30 -3.700 -5.014 -16.745 242 HA HIS 30 HA HIS 30 -4.455 -6.990 -17.360 243 1HB HIS 30 1HB HIS 30 -4.442 -5.983 -19.690 244 2HB HIS 30 2HB HIS 30 -2.896 -6.768 -19.944 245 HD1 HIS 30 HD1 HIS 30 -3.264 -8.786 -21.358 246 HD2 HIS 30 HD2 HIS 30 -6.307 -8.290 -18.515 247 HE1 HIS 30 HE1 HIS 30 -4.830 -10.781 -21.633 248 HE2 HIS 30 HE2 HIS 30 -6.649 -10.450 -19.822 249 H TYR 31 H TYR 31 -1.015 -6.590 -18.460 250 HA TYR 31 HA TYR 31 0.027 -8.206 -16.451 251 1HB TYR 31 1HB TYR 31 0.119 -10.335 -17.502 252 2HB TYR 31 2HB TYR 31 -1.398 -9.757 -18.164 253 HD1 TYR 31 HD1 TYR 31 -1.692 -9.556 -20.493 254 HD2 TYR 31 HD2 TYR 31 2.259 -9.962 -18.901 255 HE1 TYR 31 HE1 TYR 31 -0.766 -9.836 -22.844 256 HE2 TYR 31 HE2 TYR 31 3.172 -10.240 -21.258 257 HH TYR 31 HH TYR 31 2.552 -10.762 -23.375 258 H LYS 32 H LYS 32 0.136 -6.312 -19.304 259 HA LYS 32 HA LYS 32 3.038 -6.639 -19.512 260 1HB LYS 32 1HB LYS 32 2.675 -5.286 -21.649 261 2HB LYS 32 2HB LYS 32 2.094 -6.939 -21.630 262 1HG LYS 32 1HG LYS 32 -0.028 -5.297 -20.599 263 2HG LYS 32 2HG LYS 32 0.584 -4.495 -22.032 264 1HD LYS 32 1HD LYS 32 -0.157 -6.152 -23.447 265 2HD LYS 32 2HD LYS 32 0.270 -7.439 -22.337 266 1HE LYS 32 1HE LYS 32 -1.828 -7.517 -21.432 267 2HE LYS 32 2HE LYS 32 -1.938 -5.772 -21.305 268 1HZ LYS 32 2HZ LYS 32 -2.420 -5.705 -23.669 269 2HZ LYS 32 3HZ LYS 32 -2.354 -7.334 -23.760 270 3HZ LYS 32 1HZ LYS 32 -3.518 -6.613 -22.871 271 H VAL 33 H VAL 33 4.164 -4.419 -20.094 272 HA VAL 33 HA VAL 33 3.170 -2.488 -18.116 273 HB VAL 33 HB VAL 33 6.003 -2.852 -19.095 274 1HG1 VAL 33 1HG1 VAL 33 5.238 -0.646 -18.051 275 2HG1 VAL 33 2HG1 VAL 33 5.051 -1.555 -16.532 276 3HG1 VAL 33 3HG1 VAL 33 6.649 -1.441 -17.310 277 1HG2 VAL 33 1HG2 VAL 33 4.466 -4.497 -17.254 278 2HG2 VAL 33 2HG2 VAL 33 6.103 -4.742 -17.906 279 3HG2 VAL 33 3HG2 VAL 33 5.865 -3.749 -16.447 280 H TYR 34 H TYR 34 2.878 -0.349 -18.725 281 HA TYR 34 HA TYR 34 3.463 0.231 -21.551 282 1HB TYR 34 1HB TYR 34 1.183 1.187 -19.708 283 2HB TYR 34 2HB TYR 34 1.329 1.576 -21.411 284 HD1 TYR 34 HD1 TYR 34 0.077 0.340 -22.925 285 HD2 TYR 34 HD2 TYR 34 1.152 -1.447 -19.190 286 HE1 TYR 34 HE1 TYR 34 -1.298 -1.718 -23.506 287 HE2 TYR 34 HE2 TYR 34 -0.225 -3.501 -19.785 288 HH TYR 34 HH TYR 34 -2.403 -3.781 -21.465 289 H ASP 35 H ASP 35 3.984 2.459 -22.059 290 HA ASP 35 HA ASP 35 5.323 3.696 -19.834 291 1HB ASP 35 1HB ASP 35 6.051 3.353 -22.436 292 2HB ASP 35 2HB ASP 35 5.303 4.932 -22.575 293 H LEU 36 H LEU 36 3.409 4.541 -18.693 294 HA LEU 36 HA LEU 36 1.342 5.930 -19.857 295 1HB LEU 36 1HB LEU 36 2.603 6.030 -17.127 296 2HB LEU 36 2HB LEU 36 1.226 7.036 -17.538 297 HG LEU 36 HG LEU 36 1.372 4.033 -17.335 298 1HD1 LEU 36 2HD1 LEU 36 0.446 6.134 -15.657 299 2HD1 LEU 36 3HD1 LEU 36 -0.972 5.202 -16.196 300 3HD1 LEU 36 1HD1 LEU 36 0.379 4.375 -15.384 301 1HD2 LEU 36 3HD2 LEU 36 -0.456 5.663 -19.033 302 2HD2 LEU 36 1HD2 LEU 36 0.162 4.008 -19.261 303 3HD2 LEU 36 2HD2 LEU 36 -1.160 4.314 -18.109 304 H THR 37 H THR 37 4.683 6.906 -19.200 305 HA THR 37 HA THR 37 4.434 9.649 -19.180 306 HB THR 37 HB THR 37 6.503 7.591 -19.816 307 HG1 THR 37 HG1 THR 37 7.576 9.303 -18.385 308 1HG2 THR 37 3HG2 THR 37 6.836 10.529 -20.627 309 2HG2 THR 37 1HG2 THR 37 8.129 9.307 -20.584 310 3HG2 THR 37 2HG2 THR 37 6.806 9.159 -21.763 311 H LYS 38 H LYS 38 4.082 7.378 -21.887 312 HA LYS 38 HA LYS 38 4.168 9.518 -23.814 313 1HB LYS 38 1HB LYS 38 4.768 6.866 -23.935 314 2HB LYS 38 2HB LYS 38 3.144 6.847 -24.592 315 1HG LYS 38 1HG LYS 38 3.767 8.589 -26.250 316 2HG LYS 38 2HG LYS 38 5.376 8.695 -25.565 317 1HD LYS 38 1HD LYS 38 5.729 6.251 -26.118 318 2HD LYS 38 2HD LYS 38 4.153 6.226 -26.887 319 1HE LYS 38 1HE LYS 38 4.896 8.007 -28.479 320 2HE LYS 38 2HE LYS 38 6.467 8.051 -27.703 321 1HZ LYS 38 2HZ LYS 38 6.530 5.592 -28.232 322 2HZ LYS 38 3HZ LYS 38 5.291 5.874 -29.257 323 3HZ LYS 38 1HZ LYS 38 6.723 6.628 -29.481 324 H PHE 39 H PHE 39 1.788 7.676 -21.923 325 HA PHE 39 HA PHE 39 -0.384 8.824 -23.469 326 1HB PHE 39 1HB PHE 39 -0.231 6.397 -22.570 327 2HB PHE 39 2HB PHE 39 -0.332 7.058 -20.950 328 HD1 PHE 39 HD1 PHE 39 -2.270 8.693 -23.545 329 HD2 PHE 39 HD2 PHE 39 -2.330 5.649 -20.590 330 HE1 PHE 39 HE1 PHE 39 -4.775 8.619 -23.672 331 HE2 PHE 39 HE2 PHE 39 -4.836 5.576 -20.716 332 HZ PHE 39 HZ PHE 39 -6.029 7.062 -22.256 333 H LEU 40 H LEU 40 1.553 10.410 -21.650 334 HA LEU 40 HA LEU 40 -0.152 11.230 -19.485 335 1HB LEU 40 1HB LEU 40 2.515 11.121 -19.795 336 2HB LEU 40 2HB LEU 40 2.250 12.792 -20.252 337 HG LEU 40 HG LEU 40 1.253 13.300 -18.114 338 1HD1 LEU 40 2HD1 LEU 40 1.369 10.320 -17.679 339 2HD1 LEU 40 3HD1 LEU 40 1.307 11.460 -16.313 340 3HD1 LEU 40 1HD1 LEU 40 -0.010 11.434 -17.510 341 1HD2 LEU 40 3HD2 LEU 40 3.834 13.032 -18.479 342 2HD2 LEU 40 1HD2 LEU 40 3.176 13.332 -16.853 343 3HD2 LEU 40 2HD2 LEU 40 3.654 11.685 -17.330 344 H GLU 41 H GLU 41 -0.516 11.592 -22.686 345 HA GLU 41 HA GLU 41 -1.095 14.434 -22.539 346 1HB GLU 41 1HB GLU 41 -0.105 12.679 -24.608 347 2HB GLU 41 2HB GLU 41 -1.622 13.367 -25.155 348 1HG GLU 41 1HG GLU 41 -0.593 15.645 -24.234 349 2HG GLU 41 2HG GLU 41 0.933 14.795 -24.380 350 H GLU 42 H GLU 42 -2.635 11.600 -24.225 351 HA GLU 42 HA GLU 42 -5.162 12.752 -24.104 352 1HB GLU 42 1HB GLU 42 -4.027 10.071 -24.827 353 2HB GLU 42 2HB GLU 42 -5.747 10.130 -24.488 354 1HG GLU 42 1HG GLU 42 -5.883 12.115 -26.123 355 2HG GLU 42 2HG GLU 42 -4.228 11.758 -26.574 356 H HIS 43 H HIS 43 -6.967 10.838 -23.185 357 HA HIS 43 HA HIS 43 -7.739 9.749 -21.387 358 1HB HIS 43 1HB HIS 43 -5.288 9.280 -20.792 359 2HB HIS 43 2HB HIS 43 -5.384 10.675 -19.735 360 HD1 HIS 43 HD1 HIS 43 -7.785 10.448 -18.105 361 HD2 HIS 43 HD2 HIS 43 -5.760 7.005 -19.386 362 HE1 HIS 43 HE1 HIS 43 -8.480 8.577 -16.514 363 HE2 HIS 43 HE2 HIS 43 -7.246 6.475 -17.386 364 HA PRO 44 HA PRO 44 -9.697 13.360 -19.956 365 1HB PRO 44 1HB PRO 44 -11.857 12.189 -18.762 366 2HB PRO 44 2HB PRO 44 -11.778 12.524 -20.480 367 1HG PRO 44 1HG PRO 44 -11.505 9.933 -19.085 368 2HG PRO 44 2HG PRO 44 -11.850 10.238 -20.774 369 1HD PRO 44 1HD PRO 44 -9.342 9.412 -19.660 370 2HD PRO 44 2HD PRO 44 -9.658 9.829 -21.332 371 H GLY 45 H GLY 45 -9.590 10.669 -17.670 372 1HA GLY 45 2HA GLY 45 -8.686 10.645 -15.586 373 2HA GLY 45 1HA GLY 45 -9.898 11.879 -15.311 374 H GLY 46 H GLY 46 -6.760 11.836 -17.156 375 1HA GLY 46 2HA GLY 46 -5.873 14.095 -15.465 376 2HA GLY 46 1HA GLY 46 -5.684 14.091 -17.206 377 H GLU 47 H GLU 47 -3.350 14.261 -16.952 378 HA GLU 47 HA GLU 47 -1.959 12.052 -17.360 379 1HB GLU 47 1HB GLU 47 -0.970 14.456 -15.762 380 2HB GLU 47 2HB GLU 47 0.059 13.297 -16.580 381 1HG GLU 47 1HG GLU 47 -0.066 14.748 -18.343 382 2HG GLU 47 2HG GLU 47 -1.621 13.997 -18.643 383 H GLU 48 H GLU 48 -2.625 13.495 -14.105 384 HA GLU 48 HA GLU 48 -1.129 11.845 -12.583 385 1HB GLU 48 1HB GLU 48 -3.027 13.792 -12.121 386 2HB GLU 48 2HB GLU 48 -3.849 12.376 -11.500 387 1HG GLU 48 1HG GLU 48 -1.775 11.837 -10.136 388 2HG GLU 48 2HG GLU 48 -1.071 13.345 -10.682 389 H VAL 49 H VAL 49 -4.541 11.283 -13.698 390 HA VAL 49 HA VAL 49 -5.163 8.986 -12.499 391 HB VAL 49 HB VAL 49 -6.344 10.372 -14.327 392 1HG1 VAL 49 2HG1 VAL 49 -4.378 9.384 -15.950 393 2HG1 VAL 49 3HG1 VAL 49 -5.708 8.250 -16.279 394 3HG1 VAL 49 1HG1 VAL 49 -5.948 9.998 -16.517 395 1HG2 VAL 49 1HG2 VAL 49 -6.884 7.959 -13.141 396 2HG2 VAL 49 2HG2 VAL 49 -8.004 8.853 -14.198 397 3HG2 VAL 49 3HG2 VAL 49 -6.996 7.549 -14.870 398 H LEU 50 H LEU 50 -2.602 9.474 -14.898 399 HA LEU 50 HA LEU 50 -2.180 6.589 -15.038 400 1HB LEU 50 1HB LEU 50 -0.769 8.765 -16.579 401 2HB LEU 50 2HB LEU 50 -0.755 7.042 -16.899 402 HG LEU 50 HG LEU 50 -3.477 7.869 -16.947 403 1HD1 LEU 50 2HD1 LEU 50 -1.626 9.923 -17.953 404 2HD1 LEU 50 3HD1 LEU 50 -2.882 9.426 -19.113 405 3HD1 LEU 50 1HD1 LEU 50 -3.344 10.035 -17.506 406 1HD2 LEU 50 1HD2 LEU 50 -2.215 6.021 -18.198 407 2HD2 LEU 50 2HD2 LEU 50 -3.491 6.897 -19.076 408 3HD2 LEU 50 3HD2 LEU 50 -1.780 7.287 -19.370 409 H ARG 51 H ARG 51 -0.634 9.682 -14.030 410 HA ARG 51 HA ARG 51 1.784 8.534 -13.327 411 1HB ARG 51 1HB ARG 51 0.896 11.081 -13.506 412 2HB ARG 51 2HB ARG 51 0.707 10.892 -11.774 413 1HG ARG 51 1HG ARG 51 3.294 9.834 -12.684 414 2HG ARG 51 2HG ARG 51 3.094 11.511 -13.155 415 1HD ARG 51 1HD ARG 51 2.140 11.475 -10.513 416 2HD ARG 51 2HD ARG 51 3.490 10.358 -10.463 417 HE ARG 51 HE ARG 51 4.486 12.528 -11.888 418 1HH1 ARG 51 2HH1 ARG 51 5.590 14.295 -10.949 419 2HH1 ARG 51 1HH1 ARG 51 5.309 14.708 -9.291 420 1HH2 ARG 51 2HH2 ARG 51 2.976 12.128 -8.735 421 2HH2 ARG 51 1HH2 ARG 51 3.813 13.467 -8.023 422 H GLU 52 H GLU 52 -1.203 9.296 -11.413 423 HA GLU 52 HA GLU 52 -0.214 8.526 -8.964 424 1HB GLU 52 1HB GLU 52 -2.790 9.203 -10.140 425 2HB GLU 52 2HB GLU 52 -2.986 7.875 -9.013 426 1HG GLU 52 1HG GLU 52 -1.361 10.330 -8.256 427 2HG GLU 52 2HG GLU 52 -3.106 10.326 -8.093 428 H GLN 53 H GLN 53 -1.070 6.636 -11.767 429 HA GLN 53 HA GLN 53 -1.289 4.247 -10.130 430 1HB GLN 53 1HB GLN 53 -2.124 3.154 -12.185 431 2HB GLN 53 2HB GLN 53 -3.060 4.586 -11.809 432 1HG GLN 53 1HG GLN 53 -1.871 5.898 -13.495 433 2HG GLN 53 2HG GLN 53 -0.714 4.608 -13.761 434 1HE2 GLN 53 1HE2 GLN 53 -3.799 5.891 -14.489 435 2HE2 GLN 53 2HE2 GLN 53 -4.343 4.692 -15.616 436 H ALA 54 H ALA 54 0.807 5.997 -12.360 437 HA ALA 54 HA ALA 54 2.378 3.892 -13.277 438 1HB ALA 54 2HB ALA 54 2.302 6.737 -13.401 439 2HB ALA 54 1HB ALA 54 3.289 5.624 -14.379 440 3HB ALA 54 3HB ALA 54 3.934 6.283 -12.858 441 H GLY 55 H GLY 55 3.902 2.612 -12.328 442 1HA GLY 55 2HA GLY 55 4.745 3.366 -9.591 443 2HA GLY 55 1HA GLY 55 5.842 2.691 -10.782 444 H GLY 56 H GLY 56 3.060 1.165 -11.605 445 1HA GLY 56 2HA GLY 56 2.664 -0.686 -9.486 446 2HA GLY 56 1HA GLY 56 3.780 -1.339 -10.670 447 H ASP 57 H ASP 57 1.521 -2.762 -10.467 448 HA ASP 57 HA ASP 57 0.448 -2.591 -13.014 449 1HB ASP 57 1HB ASP 57 0.173 -4.731 -12.229 450 2HB ASP 57 2HB ASP 57 0.054 -4.208 -10.562 451 H ALA 58 H ALA 58 -1.468 -1.585 -13.776 452 HA ALA 58 HA ALA 58 -2.998 -0.096 -11.754 453 1HB ALA 58 2HB ALA 58 -1.560 0.917 -13.850 454 2HB ALA 58 3HB ALA 58 -3.158 0.711 -14.605 455 3HB ALA 58 1HB ALA 58 -2.988 1.708 -13.141 456 H THR 59 H THR 59 -2.985 -2.714 -13.980 457 HA THR 59 HA THR 59 -5.469 -2.693 -15.122 458 HB THR 59 HB THR 59 -3.350 -4.423 -14.966 459 HG1 THR 59 HG1 THR 59 -5.369 -4.133 -16.430 460 1HG2 THR 59 2HG2 THR 59 -5.662 -5.617 -13.350 461 2HG2 THR 59 3HG2 THR 59 -4.400 -6.597 -14.136 462 3HG2 THR 59 1HG2 THR 59 -3.966 -5.466 -12.833 463 H GLU 60 H GLU 60 -4.648 -3.958 -11.823 464 HA GLU 60 HA GLU 60 -7.026 -4.851 -11.066 465 1HB GLU 60 1HB GLU 60 -6.414 -4.024 -8.727 466 2HB GLU 60 2HB GLU 60 -5.191 -4.977 -9.540 467 1HG GLU 60 1HG GLU 60 -3.713 -3.269 -9.371 468 2HG GLU 60 2HG GLU 60 -4.775 -2.233 -10.303 469 H ASN 61 H ASN 61 -6.137 -1.459 -11.628 470 HA ASN 61 HA ASN 61 -8.582 -0.549 -10.427 471 1HB ASN 61 1HB ASN 61 -6.037 0.593 -10.913 472 2HB ASN 61 2HB ASN 61 -7.089 1.421 -12.044 473 1HD2 ASN 61 1HD2 ASN 61 -9.246 2.116 -11.112 474 2HD2 ASN 61 2HD2 ASN 61 -9.234 2.867 -9.551 475 H PHE 62 H PHE 62 -6.878 -0.374 -13.650 476 HA PHE 62 HA PHE 62 -8.811 0.768 -15.152 477 1HB PHE 62 1HB PHE 62 -7.057 0.256 -16.572 478 2HB PHE 62 2HB PHE 62 -6.454 -0.932 -15.435 479 HD1 PHE 62 HD1 PHE 62 -8.217 -0.405 -18.537 480 HD2 PHE 62 HD2 PHE 62 -7.287 -3.289 -15.568 481 HE1 PHE 62 HE1 PHE 62 -8.843 -2.244 -20.127 482 HE2 PHE 62 HE2 PHE 62 -7.913 -5.128 -17.157 483 HZ PHE 62 HZ PHE 62 -8.684 -4.584 -19.418 484 H GLU 63 H GLU 63 -8.876 -2.411 -13.652 485 HA GLU 63 HA GLU 63 -10.869 -3.405 -15.433 486 1HB GLU 63 1HB GLU 63 -9.279 -4.424 -13.142 487 2HB GLU 63 2HB GLU 63 -10.903 -5.082 -13.229 488 1HG GLU 63 1HG GLU 63 -9.742 -5.025 -15.899 489 2HG GLU 63 2HG GLU 63 -8.632 -5.822 -14.802 490 H ASP 64 H ASP 64 -10.689 -2.047 -12.097 491 HA ASP 64 HA ASP 64 -13.325 -2.546 -11.433 492 1HB ASP 64 1HB ASP 64 -11.119 -1.437 -10.191 493 2HB ASP 64 2HB ASP 64 -12.113 -0.012 -10.418 494 H VAL 65 H VAL 65 -11.768 -0.205 -13.550 495 HA VAL 65 HA VAL 65 -14.149 1.492 -13.575 496 HB VAL 65 HB VAL 65 -12.704 3.138 -13.807 497 1HG1 VAL 65 1HG1 VAL 65 -11.210 1.531 -12.527 498 2HG1 VAL 65 2HG1 VAL 65 -10.410 1.175 -14.077 499 3HG1 VAL 65 3HG1 VAL 65 -10.378 2.828 -13.416 500 1HG2 VAL 65 3HG2 VAL 65 -11.794 1.623 -16.267 501 2HG2 VAL 65 1HG2 VAL 65 -12.868 3.040 -16.172 502 3HG2 VAL 65 2HG2 VAL 65 -11.134 3.212 -15.812 503 H GLY 66 H GLY 66 -13.281 -1.367 -14.885 504 1HA GLY 66 2HA GLY 66 -15.102 -1.695 -16.761 505 2HA GLY 66 1HA GLY 66 -13.491 -2.358 -16.936 506 H HIS 67 H HIS 67 -11.778 -0.554 -17.713 507 HA HIS 67 HA HIS 67 -12.584 1.600 -19.196 508 1HB HIS 67 1HB HIS 67 -10.183 -0.124 -19.039 509 2HB HIS 67 2HB HIS 67 -10.356 0.774 -20.534 510 HD1 HIS 67 HD1 HIS 67 -11.741 3.328 -19.080 511 HD2 HIS 67 HD2 HIS 67 -8.109 1.490 -18.069 512 HE1 HIS 67 HE1 HIS 67 -10.370 5.087 -17.839 513 HE2 HIS 67 HE2 HIS 67 -8.173 3.883 -17.196 514 H SER 68 H SER 68 -11.942 1.572 -21.791 515 HA SER 68 HA SER 68 -13.828 -0.370 -22.849 516 1HB SER 68 1HB SER 68 -14.367 1.184 -24.536 517 2HB SER 68 2HB SER 68 -14.119 2.201 -23.129 518 HG SER 68 HG SER 68 -13.033 2.955 -25.115 519 H THR 69 H THR 69 -13.320 -1.294 -25.059 520 HA THR 69 HA THR 69 -10.775 -2.442 -25.098 521 HB THR 69 HB THR 69 -13.102 -2.189 -27.046 522 HG1 THR 69 HG1 THR 69 -13.219 -4.418 -26.353 523 1HG2 THR 69 3HG2 THR 69 -10.319 -3.106 -27.601 524 2HG2 THR 69 1HG2 THR 69 -11.575 -4.315 -27.958 525 3HG2 THR 69 2HG2 THR 69 -11.628 -2.719 -28.743 526 H ASP 70 H ASP 70 -11.910 0.671 -26.229 527 HA ASP 70 HA ASP 70 -9.915 1.003 -28.172 528 1HB ASP 70 1HB ASP 70 -12.034 2.338 -28.049 529 2HB ASP 70 2HB ASP 70 -11.479 3.074 -26.559 530 H ALA 71 H ALA 71 -10.376 2.091 -24.730 531 HA ALA 71 HA ALA 71 -8.065 3.562 -24.450 532 1HB ALA 71 2HB ALA 71 -9.219 1.805 -22.269 533 2HB ALA 71 1HB ALA 71 -10.097 3.228 -22.879 534 3HB ALA 71 3HB ALA 71 -8.494 3.424 -22.130 535 H ARG 72 H ARG 72 -8.631 0.016 -23.990 536 HA ARG 72 HA ARG 72 -6.072 -0.524 -23.112 537 1HB ARG 72 1HB ARG 72 -7.906 -2.378 -24.712 538 2HB ARG 72 2HB ARG 72 -6.611 -2.882 -23.646 539 1HG ARG 72 1HG ARG 72 -7.828 -1.719 -21.731 540 2HG ARG 72 2HG ARG 72 -9.162 -1.416 -22.826 541 1HD ARG 72 1HD ARG 72 -9.583 -3.465 -21.500 542 2HD ARG 72 2HD ARG 72 -9.444 -3.858 -23.203 543 HE ARG 72 HE ARG 72 -6.844 -4.060 -22.039 544 1HH1 ARG 72 2HH1 ARG 72 -5.952 -6.095 -21.501 545 2HH1 ARG 72 1HH1 ARG 72 -6.991 -7.463 -21.277 546 1HH2 ARG 72 2HH2 ARG 72 -9.962 -5.688 -21.932 547 2HH2 ARG 72 1HH2 ARG 72 -9.287 -7.229 -21.523 548 H GLU 73 H GLU 73 -7.565 -0.533 -26.408 549 HA GLU 73 HA GLU 73 -5.423 -1.592 -27.761 550 1HB GLU 73 1HB GLU 73 -7.808 0.073 -28.451 551 2HB GLU 73 2HB GLU 73 -6.509 0.085 -29.628 552 1HG GLU 73 1HG GLU 73 -6.541 -2.377 -29.766 553 2HG GLU 73 2HG GLU 73 -7.722 -2.469 -28.475 554 H LEU 74 H LEU 74 -6.225 1.853 -26.979 555 HA LEU 74 HA LEU 74 -4.112 3.007 -28.355 556 1HB LEU 74 1HB LEU 74 -4.981 4.884 -27.575 557 2HB LEU 74 2HB LEU 74 -6.242 3.873 -26.899 558 HG LEU 74 HG LEU 74 -4.338 3.788 -24.915 559 1HD1 LEU 74 1HD1 LEU 74 -4.152 6.451 -26.314 560 2HD1 LEU 74 2HD1 LEU 74 -3.835 6.284 -24.570 561 3HD1 LEU 74 3HD1 LEU 74 -2.846 5.383 -25.746 562 1HD2 LEU 74 1HD2 LEU 74 -6.950 4.970 -25.364 563 2HD2 LEU 74 2HD2 LEU 74 -6.270 4.216 -23.902 564 3HD2 LEU 74 3HD2 LEU 74 -5.977 5.941 -24.232 565 H SER 75 H SER 75 -4.293 1.454 -25.135 566 HA SER 75 HA SER 75 -1.793 2.353 -24.285 567 1HB SER 75 1HB SER 75 -2.535 -0.266 -23.205 568 2HB SER 75 2HB SER 75 -2.368 1.270 -22.377 569 HG SER 75 HG SER 75 -4.533 1.831 -23.267 570 H LYS 76 H LYS 76 -2.908 -0.351 -26.316 571 HA LYS 76 HA LYS 76 -0.637 -1.956 -26.154 572 1HB LYS 76 1HB LYS 76 -1.840 -3.258 -27.505 573 2HB LYS 76 2HB LYS 76 -3.102 -2.045 -27.419 574 1HG LYS 76 1HG LYS 76 -2.090 -0.874 -29.402 575 2HG LYS 76 2HG LYS 76 -0.865 -2.122 -29.497 576 1HD LYS 76 1HD LYS 76 -2.707 -3.843 -29.772 577 2HD LYS 76 2HD LYS 76 -3.875 -2.538 -29.801 578 1HE LYS 76 1HE LYS 76 -3.372 -1.974 -31.960 579 2HE LYS 76 2HE LYS 76 -1.646 -2.076 -31.682 580 1HZ LYS 76 2HZ LYS 76 -2.983 -4.601 -31.647 581 2HZ LYS 76 3HZ LYS 76 -3.051 -3.839 -33.090 582 3HZ LYS 76 1HZ LYS 76 -1.605 -4.163 -32.404 583 H THR 77 H THR 77 -1.112 1.199 -27.500 584 HA THR 77 HA THR 77 1.116 0.910 -29.355 585 HB THR 77 HB THR 77 0.285 2.911 -30.292 586 HG1 THR 77 HG1 THR 77 -0.778 3.285 -27.579 587 1HG2 THR 77 2HG2 THR 77 -1.687 1.049 -29.643 588 2HG2 THR 77 3HG2 THR 77 -2.321 2.543 -28.911 589 3HG2 THR 77 1HG2 THR 77 -1.950 2.493 -30.651 590 H PHE 78 H PHE 78 0.545 1.705 -26.048 591 HA PHE 78 HA PHE 78 3.018 3.264 -25.962 592 1HB PHE 78 1HB PHE 78 0.649 2.730 -24.081 593 2HB PHE 78 2HB PHE 78 2.091 3.547 -23.509 594 HD1 PHE 78 HD1 PHE 78 -0.910 4.485 -23.822 595 HD2 PHE 78 HD2 PHE 78 2.645 5.157 -26.039 596 HE1 PHE 78 HE1 PHE 78 -1.830 6.676 -24.632 597 HE2 PHE 78 HE2 PHE 78 1.727 7.347 -26.849 598 HZ PHE 78 HZ PHE 78 -0.500 8.081 -26.136 599 H ILE 79 H ILE 79 1.849 0.075 -25.591 600 HA ILE 79 HA ILE 79 3.064 -0.867 -23.333 601 HB ILE 79 HB ILE 79 2.261 -1.984 -25.955 602 1HG1 ILE 79 1HG1 ILE 79 1.592 -2.355 -23.055 603 2HG1 ILE 79 2HG1 ILE 79 0.538 -1.995 -24.408 604 1HG2 ILE 79 2HG2 ILE 79 4.482 -2.986 -25.663 605 2HG2 ILE 79 3HG2 ILE 79 4.016 -3.550 -24.041 606 3HG2 ILE 79 1HG2 ILE 79 3.184 -4.188 -25.479 607 1HD1 ILE 79 3HD1 ILE 79 1.214 -4.359 -25.308 608 2HD1 ILE 79 1HD1 ILE 79 1.789 -4.653 -23.650 609 3HD1 ILE 79 2HD1 ILE 79 0.075 -4.269 -23.942 610 H ILE 80 H ILE 80 5.120 -0.974 -22.605 611 HA ILE 80 HA ILE 80 7.226 -0.549 -24.603 612 HB ILE 80 HB ILE 80 8.331 -0.129 -22.105 613 1HG1 ILE 80 1HG1 ILE 80 5.570 1.125 -22.141 614 2HG1 ILE 80 2HG1 ILE 80 6.060 -0.202 -21.108 615 1HG2 ILE 80 2HG2 ILE 80 8.647 1.117 -24.262 616 2HG2 ILE 80 3HG2 ILE 80 7.146 2.003 -23.898 617 3HG2 ILE 80 1HG2 ILE 80 8.546 2.139 -22.809 618 1HD1 ILE 80 1HD1 ILE 80 7.846 1.227 -20.108 619 2HD1 ILE 80 2HD1 ILE 80 7.327 2.577 -21.146 620 3HD1 ILE 80 3HD1 ILE 80 6.229 1.941 -19.896 621 H GLY 81 H GLY 81 5.953 -2.644 -22.031 622 1HA GLY 81 2HA GLY 81 8.121 -4.227 -21.443 623 2HA GLY 81 1HA GLY 81 7.519 -4.844 -22.969 624 H GLU 82 H GLU 82 7.500 -6.105 -20.250 625 HA GLU 82 HA GLU 82 4.742 -6.033 -19.493 626 1HB GLU 82 1HB GLU 82 5.757 -8.774 -20.222 627 2HB GLU 82 2HB GLU 82 4.107 -8.191 -20.136 628 1HG GLU 82 1HG GLU 82 4.414 -6.865 -22.193 629 2HG GLU 82 2HG GLU 82 6.114 -7.287 -22.252 630 H LEU 83 H LEU 83 4.361 -7.603 -17.572 631 HA LEU 83 HA LEU 83 6.563 -7.257 -15.779 632 1HB LEU 83 1HB LEU 83 4.114 -6.946 -15.258 633 2HB LEU 83 2HB LEU 83 3.950 -8.691 -15.308 634 HG LEU 83 HG LEU 83 4.486 -8.776 -13.160 635 1HD1 LEU 83 1HD1 LEU 83 7.125 -7.568 -14.028 636 2HD1 LEU 83 2HD1 LEU 83 6.807 -8.253 -12.416 637 3HD1 LEU 83 3HD1 LEU 83 6.722 -9.294 -13.858 638 1HD2 LEU 83 1HD2 LEU 83 4.209 -5.977 -13.580 639 2HD2 LEU 83 2HD2 LEU 83 3.960 -6.910 -12.086 640 3HD2 LEU 83 3HD2 LEU 83 5.562 -6.228 -12.451 641 H HIS 84 H HIS 84 8.245 -8.622 -15.569 642 HA HIS 84 HA HIS 84 8.285 -11.078 -16.918 643 1HB HIS 84 1HB HIS 84 10.122 -9.358 -15.659 644 2HB HIS 84 2HB HIS 84 10.256 -10.879 -14.799 645 HD1 HIS 84 HD1 HIS 84 12.724 -10.834 -15.985 646 HD2 HIS 84 HD2 HIS 84 9.428 -11.517 -18.489 647 HE1 HIS 84 HE1 HIS 84 13.658 -11.832 -18.141 648 HE2 HIS 84 HE2 HIS 84 11.581 -12.280 -19.617 649 HA PRO 85 HA PRO 85 7.104 -13.916 -13.843 650 1HB PRO 85 1HB PRO 85 9.148 -15.681 -13.430 651 2HB PRO 85 2HB PRO 85 8.089 -15.750 -14.826 652 1HG PRO 85 1HG PRO 85 10.887 -14.805 -14.664 653 2HG PRO 85 2HG PRO 85 9.968 -15.277 -16.079 654 1HD PRO 85 1HD PRO 85 10.584 -12.602 -15.246 655 2HD PRO 85 2HD PRO 85 9.569 -13.073 -16.595 656 H ASP 86 H ASP 86 8.823 -11.494 -12.966 657 HA ASP 86 HA ASP 86 9.749 -12.449 -10.452 658 1HB ASP 86 1HB ASP 86 11.051 -10.637 -10.991 659 2HB ASP 86 2HB ASP 86 9.821 -9.939 -12.024 660 H ASP 87 H ASP 87 6.850 -10.986 -11.871 661 HA ASP 87 HA ASP 87 5.453 -11.376 -9.434 662 1HB ASP 87 1HB ASP 87 6.146 -8.614 -10.435 663 2HB ASP 87 2HB ASP 87 4.549 -8.856 -9.755 664 H ARG 88 H ARG 88 4.878 -12.798 -11.571 665 HA ARG 88 HA ARG 88 3.328 -11.417 -13.489 666 1HB ARG 88 1HB ARG 88 3.788 -14.378 -12.900 667 2HB ARG 88 2HB ARG 88 2.752 -13.840 -14.207 668 1HG ARG 88 1HG ARG 88 5.629 -12.873 -13.931 669 2HG ARG 88 2HG ARG 88 5.226 -14.344 -14.793 670 1HD ARG 88 1HD ARG 88 4.306 -11.512 -15.455 671 2HD ARG 88 2HD ARG 88 5.333 -12.548 -16.427 672 HE ARG 88 HE ARG 88 2.403 -12.724 -16.167 673 1HH1 ARG 88 2HH1 ARG 88 1.319 -14.152 -17.584 674 2HH1 ARG 88 1HH1 ARG 88 2.222 -15.311 -18.502 675 1HH2 ARG 88 2HH2 ARG 88 5.351 -14.334 -17.215 676 2HH2 ARG 88 1HH2 ARG 88 4.530 -15.416 -18.289 677 H SER 89 H SER 89 2.299 -14.383 -11.686 678 HA SER 89 HA SER 89 -0.364 -13.727 -11.757 679 1HB SER 89 1HB SER 89 -0.660 -15.539 -10.106 680 2HB SER 89 2HB SER 89 0.485 -16.009 -11.347 681 HG SER 89 HG SER 89 1.704 -14.744 -9.169 682 H LYS 90 H LYS 90 2.153 -12.292 -9.946 683 HA LYS 90 HA LYS 90 0.769 -11.763 -7.540 684 1HB LYS 90 1HB LYS 90 3.355 -11.215 -8.716 685 2HB LYS 90 2HB LYS 90 2.717 -9.767 -7.966 686 1HG LYS 90 1HG LYS 90 3.757 -10.798 -6.138 687 2HG LYS 90 2HG LYS 90 2.112 -11.370 -5.953 688 1HD LYS 90 1HD LYS 90 2.697 -13.539 -6.363 689 2HD LYS 90 2HD LYS 90 3.679 -13.106 -7.748 690 1HE LYS 90 1HE LYS 90 5.466 -13.658 -6.440 691 2HE LYS 90 2HE LYS 90 5.212 -12.110 -5.660 692 1HZ LYS 90 1HZ LYS 90 3.452 -13.640 -4.396 693 2HZ LYS 90 2HZ LYS 90 4.623 -14.738 -4.695 694 3HZ LYS 90 3HZ LYS 90 4.972 -13.376 -3.864 695 H ILE 91 H ILE 91 0.677 -10.437 -10.790 696 HA ILE 91 HA ILE 91 -1.228 -8.443 -9.810 697 HB ILE 91 HB ILE 91 -0.270 -6.692 -10.887 698 1HG1 ILE 91 1HG1 ILE 91 1.197 -8.617 -12.716 699 2HG1 ILE 91 2HG1 ILE 91 -0.254 -7.719 -13.116 700 1HG2 ILE 91 2HG2 ILE 91 1.326 -7.963 -9.174 701 2HG2 ILE 91 3HG2 ILE 91 2.362 -8.061 -10.616 702 3HG2 ILE 91 1HG2 ILE 91 1.819 -6.475 -10.017 703 1HD1 ILE 91 2HD1 ILE 91 1.777 -5.909 -12.059 704 2HD1 ILE 91 3HD1 ILE 91 2.423 -6.852 -13.423 705 3HD1 ILE 91 1HD1 ILE 91 0.952 -5.873 -13.637 706 H THR 92 H THR 92 0.120 -10.305 -12.601 707 HA THR 92 HA THR 92 -1.729 -9.866 -14.507 708 HB THR 92 HB THR 92 0.350 -11.590 -14.142 709 HG1 THR 92 HG1 THR 92 -0.291 -12.182 -16.282 710 1HG2 THR 92 1HG2 THR 92 -1.729 -13.078 -13.015 711 2HG2 THR 92 2HG2 THR 92 -1.751 -13.604 -14.715 712 3HG2 THR 92 3HG2 THR 92 -0.265 -13.772 -13.751 713 H LYS 93 H LYS 93 -3.756 -10.657 -15.161 714 HA LYS 93 HA LYS 93 -5.890 -11.103 -14.787 715 1HB LYS 93 1HB LYS 93 -4.784 -13.394 -14.766 716 2HB LYS 93 2HB LYS 93 -4.912 -13.356 -13.020 717 1HG LYS 93 1HG LYS 93 -7.468 -12.573 -14.131 718 2HG LYS 93 2HG LYS 93 -6.947 -14.041 -14.935 719 1HD LYS 93 1HD LYS 93 -6.828 -15.272 -12.898 720 2HD LYS 93 2HD LYS 93 -6.756 -13.823 -11.914 721 1HE LYS 93 1HE LYS 93 -9.183 -13.458 -13.177 722 2HE LYS 93 2HE LYS 93 -9.129 -15.208 -13.084 723 1HZ LYS 93 1HZ LYS 93 -8.366 -14.624 -10.658 724 2HZ LYS 93 2HZ LYS 93 -9.243 -13.275 -10.943 725 3HZ LYS 93 3HZ LYS 93 -9.945 -14.745 -11.059 726 HA PRO 94 HA PRO 94 -6.323 -8.855 -10.993 727 1HB PRO 94 1HB PRO 94 -8.317 -7.196 -11.852 728 2HB PRO 94 2HB PRO 94 -6.615 -6.810 -12.009 729 1HG PRO 94 1HG PRO 94 -8.517 -7.693 -14.094 730 2HG PRO 94 2HG PRO 94 -6.962 -6.906 -14.288 731 1HD PRO 94 1HD PRO 94 -7.541 -9.687 -14.687 732 2HD PRO 94 2HD PRO 94 -5.966 -8.922 -14.767 733 H SER 95 H SER 95 -8.505 -8.106 -9.758 734 HA SER 95 HA SER 95 -10.544 -10.038 -10.194 735 1HB SER 95 1HB SER 95 -8.448 -10.853 -8.539 736 2HB SER 95 2HB SER 95 -9.626 -10.249 -7.391 737 HG SER 95 HG SER 95 -11.214 -11.628 -8.736 738 H GLU 96 H GLU 96 -12.349 -9.726 -8.460 739 HA GLU 96 HA GLU 96 -12.226 -6.966 -7.521 740 1HB GLU 96 1HB GLU 96 -14.235 -8.361 -9.192 741 2HB GLU 96 2HB GLU 96 -14.934 -7.490 -7.842 742 1HG GLU 96 1HG GLU 96 -14.247 -5.408 -8.632 743 2HG GLU 96 2HG GLU 96 -12.816 -6.051 -9.414 744 H SER 97 H SER 97 -14.249 -6.680 -5.832 745 HA SER 97 HA SER 97 -14.646 -9.033 -4.276 746 1HB SER 97 1HB SER 97 -13.715 -7.955 -2.171 747 2HB SER 97 2HB SER 97 -12.509 -8.467 -3.335 748 HG SER 97 HG SER 97 -12.028 -6.343 -2.570 749 H ILE 98 H ILE 98 -15.962 -8.336 -2.161 750 HA ILE 98 HA ILE 98 -17.561 -5.964 -2.790 751 HB ILE 98 HB ILE 98 -18.678 -7.995 -3.641 752 1HG1 ILE 98 1HG1 ILE 98 -20.729 -7.529 -1.833 753 2HG1 ILE 98 2HG1 ILE 98 -19.777 -6.062 -1.731 754 1HG2 ILE 98 2HG2 ILE 98 -17.742 -9.511 -1.848 755 2HG2 ILE 98 3HG2 ILE 98 -18.982 -8.845 -0.756 756 3HG2 ILE 98 1HG2 ILE 98 -19.470 -9.722 -2.226 757 1HD1 ILE 98 3HD1 ILE 98 -20.454 -7.230 -4.445 758 2HD1 ILE 98 1HD1 ILE 98 -21.642 -6.236 -3.570 759 3HD1 ILE 98 2HD1 ILE 98 -20.064 -5.546 -4.019 760 H ILE 99 H ILE 99 -18.029 -4.685 -1.036 761 HA ILE 99 HA ILE 99 -17.280 -5.805 1.576 762 HB ILE 99 HB ILE 99 -16.752 -3.046 0.472 763 1HG1 ILE 99 1HG1 ILE 99 -14.617 -4.781 1.611 764 2HG1 ILE 99 2HG1 ILE 99 -15.266 -5.250 0.052 765 1HG2 ILE 99 2HG2 ILE 99 -17.413 -3.619 3.085 766 2HG2 ILE 99 3HG2 ILE 99 -15.634 -3.680 3.100 767 3HG2 ILE 99 1HG2 ILE 99 -16.470 -2.217 2.524 768 1HD1 ILE 99 3HD1 ILE 99 -14.907 -2.413 -0.048 769 2HD1 ILE 99 1HD1 ILE 99 -13.429 -3.103 0.665 770 3HD1 ILE 99 2HD1 ILE 99 -13.992 -3.661 -0.929 771 H THR 100 H THR 100 -19.067 -6.075 2.793 772 HA THR 100 HA THR 100 -21.445 -4.558 2.166 773 HB THR 100 HB THR 100 -21.403 -7.042 2.699 774 HG1 THR 100 HG1 THR 100 -23.306 -5.698 3.074 775 1HG2 THR 100 2HG2 THR 100 -20.130 -5.981 5.162 776 2HG2 THR 100 3HG2 THR 100 -21.535 -7.023 5.487 777 3HG2 THR 100 1HG2 THR 100 -20.165 -7.648 4.541 778 H THR 101 H THR 101 -22.604 -3.202 3.615 779 HA THR 101 HA THR 101 -21.208 -2.345 6.010 780 HB THR 101 HB THR 101 -20.242 -1.016 4.058 781 HG1 THR 101 HG1 THR 101 -22.046 0.340 5.937 782 1HG2 THR 101 2HG2 THR 101 -22.435 -0.854 2.751 783 2HG2 THR 101 3HG2 THR 101 -23.041 0.224 4.032 784 3HG2 THR 101 1HG2 THR 101 -21.644 0.714 3.041 785 H ILE 102 H ILE 102 -22.586 -1.801 7.616 786 HA ILE 102 HA ILE 102 -25.403 -1.976 6.944 787 HB ILE 102 HB ILE 102 -25.759 -2.265 9.286 788 1HG1 ILE 102 1HG1 ILE 102 -23.413 -2.380 10.640 789 2HG1 ILE 102 2HG1 ILE 102 -23.047 -1.083 9.521 790 1HG2 ILE 102 1HG2 ILE 102 -24.061 -3.945 7.715 791 2HG2 ILE 102 2HG2 ILE 102 -23.538 -4.029 9.415 792 3HG2 ILE 102 3HG2 ILE 102 -25.226 -4.393 8.982 793 1HD1 ILE 102 3HD1 ILE 102 -25.750 -0.919 10.769 794 2HD1 ILE 102 1HD1 ILE 102 -24.380 -0.724 11.888 795 3HD1 ILE 102 2HD1 ILE 102 -24.548 0.361 10.488 796 H ASP 103 H ASP 103 -26.692 -0.406 8.729 797 HA ASP 103 HA ASP 103 -25.507 2.213 8.574 798 1HB ASP 103 1HB ASP 103 -27.277 3.227 7.360 799 2HB ASP 103 2HB ASP 103 -26.948 1.751 6.474 800 H SER 104 H SER 104 -27.224 3.834 9.716 801 HA SER 104 HA SER 104 -28.495 2.315 11.858 802 1HB SER 104 1HB SER 104 -26.703 3.357 12.961 803 2HB SER 104 2HB SER 104 -26.756 4.778 11.936 804 HG SER 104 HG SER 104 -27.599 5.363 13.960 No H/Q in entry = 804 Start of MODEL 13 1 H ALA 1 H ALA 1 34.393 2.913 -31.774 2 HA ALA 1 HA ALA 1 32.874 4.523 -30.226 3 1HB ALA 1 3HB ALA 1 32.181 4.945 -33.163 4 2HB ALA 1 1HB ALA 1 31.192 5.485 -31.784 5 3HB ALA 1 2HB ALA 1 32.814 6.174 -32.042 6 H GLU 2 H GLU 2 30.354 3.852 -30.499 7 HA GLU 2 HA GLU 2 29.952 1.384 -31.790 8 1HB GLU 2 1HB GLU 2 31.286 1.061 -29.415 9 2HB GLU 2 2HB GLU 2 29.629 0.989 -28.851 10 1HG GLU 2 1HG GLU 2 29.632 -0.594 -31.194 11 2HG GLU 2 2HG GLU 2 31.148 -0.986 -30.407 12 H GLU 3 H GLU 3 27.713 0.391 -30.785 13 HA GLU 3 HA GLU 3 26.048 2.432 -29.704 14 1HB GLU 3 1HB GLU 3 24.454 2.531 -31.568 15 2HB GLU 3 2HB GLU 3 26.039 3.043 -32.113 16 1HG GLU 3 1HG GLU 3 26.469 0.819 -33.097 17 2HG GLU 3 2HG GLU 3 24.957 0.207 -32.455 18 H SER 4 H SER 4 23.747 1.554 -29.351 19 HA SER 4 HA SER 4 23.169 -1.105 -29.778 20 1HB SER 4 1HB SER 4 23.496 -2.106 -27.569 21 2HB SER 4 2HB SER 4 25.034 -1.535 -28.185 22 HG SER 4 HG SER 4 25.176 -0.492 -26.322 23 H SER 5 H SER 5 21.101 -1.731 -28.651 24 HA SER 5 HA SER 5 19.815 -0.174 -26.838 25 1HB SER 5 1HB SER 5 19.943 1.194 -29.330 26 2HB SER 5 2HB SER 5 18.299 0.603 -29.204 27 HG SER 5 HG SER 5 18.034 2.367 -27.999 28 H LYS 6 H LYS 6 17.406 -0.742 -26.726 29 HA LYS 6 HA LYS 6 16.305 -2.612 -28.495 30 1HB LYS 6 1HB LYS 6 16.455 -4.662 -27.260 31 2HB LYS 6 2HB LYS 6 18.078 -4.075 -27.559 32 1HG LYS 6 1HG LYS 6 17.060 -2.971 -25.052 33 2HG LYS 6 2HG LYS 6 16.913 -4.717 -25.042 34 1HD LYS 6 1HD LYS 6 19.164 -5.004 -24.847 35 2HD LYS 6 2HD LYS 6 19.496 -3.896 -26.163 36 1HE LYS 6 1HE LYS 6 19.173 -1.955 -24.603 37 2HE LYS 6 2HE LYS 6 18.861 -3.073 -23.289 38 1HZ LYS 6 2HZ LYS 6 21.277 -3.612 -24.713 39 2HZ LYS 6 3HZ LYS 6 21.270 -2.160 -23.966 40 3HZ LYS 6 1HZ LYS 6 21.015 -3.523 -23.104 41 H ALA 7 H ALA 7 14.302 -3.724 -27.291 42 HA ALA 7 HA ALA 7 13.113 -1.554 -25.722 43 1HB ALA 7 1HB ALA 7 11.835 -3.827 -27.299 44 2HB ALA 7 3HB ALA 7 12.025 -2.149 -27.864 45 3HB ALA 7 2HB ALA 7 10.970 -2.507 -26.476 46 H VAL 8 H VAL 8 12.453 -1.885 -23.626 47 HA VAL 8 HA VAL 8 13.508 -3.720 -22.020 48 HB VAL 8 HB VAL 8 12.387 -2.231 -20.790 49 1HG1 VAL 8 3HG1 VAL 8 10.622 -2.072 -23.172 50 2HG1 VAL 8 1HG1 VAL 8 9.886 -1.604 -21.620 51 3HG1 VAL 8 2HG1 VAL 8 11.355 -0.778 -22.192 52 1HG2 VAL 8 2HG2 VAL 8 11.447 -4.482 -20.155 53 2HG2 VAL 8 3HG2 VAL 8 10.425 -3.092 -19.721 54 3HG2 VAL 8 1HG2 VAL 8 10.016 -4.090 -21.136 55 H LYS 9 H LYS 9 10.071 -4.132 -23.130 56 HA LYS 9 HA LYS 9 9.039 -5.945 -23.925 57 1HB LYS 9 1HB LYS 9 11.667 -6.578 -24.548 58 2HB LYS 9 2HB LYS 9 11.148 -7.955 -23.597 59 1HG LYS 9 1HG LYS 9 9.519 -6.822 -25.916 60 2HG LYS 9 2HG LYS 9 10.684 -8.116 -26.109 61 1HD LYS 9 1HD LYS 9 9.369 -9.333 -24.204 62 2HD LYS 9 2HD LYS 9 8.110 -8.148 -24.488 63 1HE LYS 9 1HE LYS 9 9.043 -9.266 -27.028 64 2HE LYS 9 2HE LYS 9 8.564 -10.552 -25.938 65 1HZ LYS 9 2HZ LYS 9 6.547 -9.006 -25.555 66 2HZ LYS 9 3HZ LYS 9 6.955 -8.386 -27.010 67 3HZ LYS 9 1HZ LYS 9 6.595 -9.972 -26.870 68 H TYR 10 H TYR 10 11.343 -6.641 -21.216 69 HA TYR 10 HA TYR 10 9.022 -7.545 -19.674 70 1HB TYR 10 1HB TYR 10 11.384 -9.028 -18.941 71 2HB TYR 10 2HB TYR 10 9.951 -9.674 -19.716 72 HD1 TYR 10 HD1 TYR 10 9.970 -10.319 -22.016 73 HD2 TYR 10 HD2 TYR 10 13.294 -8.188 -20.368 74 HE1 TYR 10 HE1 TYR 10 11.331 -10.813 -24.105 75 HE2 TYR 10 HE2 TYR 10 14.644 -8.689 -22.463 76 HH TYR 10 HH TYR 10 14.506 -9.373 -24.570 77 H TYR 11 H TYR 11 8.920 -6.588 -17.696 78 HA TYR 11 HA TYR 11 11.438 -5.565 -16.582 79 1HB TYR 11 1HB TYR 11 9.005 -4.215 -17.557 80 2HB TYR 11 2HB TYR 11 9.170 -3.935 -15.835 81 HD1 TYR 11 HD1 TYR 11 12.303 -4.023 -15.898 82 HD2 TYR 11 HD2 TYR 11 9.371 -1.912 -18.188 83 HE1 TYR 11 HE1 TYR 11 13.987 -2.175 -16.362 84 HE2 TYR 11 HE2 TYR 11 11.064 -0.071 -18.644 85 HH TYR 11 HH TYR 11 13.819 -0.136 -18.709 86 H THR 12 H THR 12 11.059 -4.903 -14.172 87 HA THR 12 HA THR 12 9.433 -7.037 -12.960 88 HB THR 12 HB THR 12 11.090 -6.958 -11.143 89 HG1 THR 12 HG1 THR 12 12.753 -5.273 -11.342 90 1HG2 THR 12 2HG2 THR 12 12.540 -6.698 -13.831 91 2HG2 THR 12 3HG2 THR 12 13.218 -7.408 -12.346 92 3HG2 THR 12 1HG2 THR 12 11.868 -8.212 -13.180 93 H LEU 13 H LEU 13 8.354 -6.565 -10.908 94 HA LEU 13 HA LEU 13 6.660 -4.452 -11.077 95 1HB LEU 13 1HB LEU 13 7.464 -6.397 -9.053 96 2HB LEU 13 2HB LEU 13 6.889 -4.894 -8.359 97 HG LEU 13 HG LEU 13 5.397 -6.775 -10.197 98 1HD1 LEU 13 2HD1 LEU 13 5.635 -7.037 -7.587 99 2HD1 LEU 13 3HD1 LEU 13 4.375 -5.779 -7.568 100 3HD1 LEU 13 1HD1 LEU 13 4.080 -7.322 -8.406 101 1HD2 LEU 13 2HD2 LEU 13 5.035 -3.892 -9.821 102 2HD2 LEU 13 3HD2 LEU 13 4.378 -4.985 -11.062 103 3HD2 LEU 13 1HD2 LEU 13 3.573 -4.846 -9.481 104 H GLU 14 H GLU 14 9.926 -4.576 -9.598 105 HA GLU 14 HA GLU 14 9.727 -2.053 -8.411 106 1HB GLU 14 1HB GLU 14 11.582 -4.168 -8.465 107 2HB GLU 14 2HB GLU 14 12.454 -2.824 -9.176 108 1HG GLU 14 1HG GLU 14 11.713 -1.392 -7.196 109 2HG GLU 14 2HG GLU 14 11.041 -2.839 -6.470 110 H GLU 15 H GLU 15 11.325 -3.194 -11.472 111 HA GLU 15 HA GLU 15 12.337 -0.866 -12.331 112 1HB GLU 15 1HB GLU 15 10.928 -2.994 -14.003 113 2HB GLU 15 2HB GLU 15 11.992 -1.768 -14.659 114 1HG GLU 15 1HG GLU 15 13.088 -3.368 -12.373 115 2HG GLU 15 2HG GLU 15 12.853 -4.237 -13.877 116 H ILE 16 H ILE 16 8.911 -1.903 -12.367 117 HA ILE 16 HA ILE 16 8.120 0.405 -13.900 118 HB ILE 16 HB ILE 16 6.342 -1.558 -12.467 119 1HG1 ILE 16 1HG1 ILE 16 6.812 -2.122 -15.293 120 2HG1 ILE 16 2HG1 ILE 16 8.277 -2.276 -14.343 121 1HG2 ILE 16 2HG2 ILE 16 5.279 0.475 -13.340 122 2HG2 ILE 16 3HG2 ILE 16 5.928 0.117 -14.958 123 3HG2 ILE 16 1HG2 ILE 16 4.745 -0.982 -14.210 124 1HD1 ILE 16 2HD1 ILE 16 6.408 -3.500 -12.695 125 2HD1 ILE 16 3HD1 ILE 16 5.839 -3.949 -14.320 126 3HD1 ILE 16 1HD1 ILE 16 7.498 -4.351 -13.817 127 H GLN 17 H GLN 17 8.336 -0.659 -10.509 128 HA GLN 17 HA GLN 17 6.664 1.307 -9.471 129 1HB GLN 17 1HB GLN 17 7.847 -0.880 -8.435 130 2HB GLN 17 2HB GLN 17 9.007 0.307 -7.873 131 1HG GLN 17 1HG GLN 17 6.175 1.117 -7.470 132 2HG GLN 17 2HG GLN 17 6.628 -0.329 -6.590 133 1HE2 GLN 17 1HE2 GLN 17 8.321 -0.272 -5.085 134 2HE2 GLN 17 2HE2 GLN 17 8.853 1.199 -4.343 135 H LYS 18 H LYS 18 10.165 1.221 -10.270 136 HA LYS 18 HA LYS 18 10.805 3.651 -9.009 137 1HB LYS 18 1HB LYS 18 12.177 2.258 -11.328 138 2HB LYS 18 2HB LYS 18 12.871 3.513 -10.322 139 1HG LYS 18 1HG LYS 18 12.449 1.998 -8.298 140 2HG LYS 18 2HG LYS 18 11.998 0.730 -9.421 141 1HD LYS 18 1HD LYS 18 14.213 0.189 -9.430 142 2HD LYS 18 2HD LYS 18 14.408 1.563 -10.499 143 1HE LYS 18 1HE LYS 18 14.836 3.044 -8.527 144 2HE LYS 18 2HE LYS 18 14.631 1.675 -7.452 145 1HZ LYS 18 2HZ LYS 18 16.454 0.623 -8.825 146 2HZ LYS 18 3HZ LYS 18 16.755 2.116 -9.412 147 3HZ LYS 18 1HZ LYS 18 16.892 1.825 -7.812 148 H HIS 19 H HIS 19 9.274 2.799 -12.083 149 HA HIS 19 HA HIS 19 9.576 5.533 -13.012 150 1HB HIS 19 1HB HIS 19 8.689 2.950 -14.278 151 2HB HIS 19 2HB HIS 19 8.286 4.485 -15.023 152 HD1 HIS 19 HD1 HIS 19 9.893 5.001 -16.849 153 HD2 HIS 19 HD2 HIS 19 11.765 3.105 -13.608 154 HE1 HIS 19 HE1 HIS 19 12.365 4.819 -17.458 155 HE2 HIS 19 HE2 HIS 19 13.472 3.696 -15.405 156 H ASN 20 H ASN 20 8.245 6.663 -11.515 157 HA ASN 20 HA ASN 20 5.429 6.192 -12.027 158 1HB ASN 20 1HB ASN 20 5.556 5.216 -9.867 159 2HB ASN 20 2HB ASN 20 6.834 6.294 -9.343 160 1HD2 ASN 20 1HD2 ASN 20 3.568 6.646 -10.734 161 2HD2 ASN 20 2HD2 ASN 20 2.955 7.772 -9.569 162 H ASN 21 H ASN 21 7.897 8.156 -12.564 163 HA ASN 21 HA ASN 21 6.623 10.566 -11.552 164 1HB ASN 21 1HB ASN 21 9.436 9.792 -12.285 165 2HB ASN 21 2HB ASN 21 8.979 11.443 -12.658 166 1HD2 ASN 21 1HD2 ASN 21 10.480 9.674 -10.460 167 2HD2 ASN 21 2HD2 ASN 21 10.139 10.523 -8.990 168 H SER 22 H SER 22 6.687 12.488 -13.176 169 HA SER 22 HA SER 22 5.456 11.710 -15.534 170 1HB SER 22 1HB SER 22 5.324 14.042 -16.035 171 2HB SER 22 2HB SER 22 5.237 13.931 -14.288 172 HG SER 22 HG SER 22 6.716 15.584 -14.864 173 H LYS 23 H LYS 23 8.797 11.907 -14.621 174 HA LYS 23 HA LYS 23 9.734 12.338 -17.321 175 1HB LYS 23 1HB LYS 23 10.754 13.051 -14.928 176 2HB LYS 23 2HB LYS 23 11.591 11.526 -15.142 177 1HG LYS 23 1HG LYS 23 12.393 12.261 -17.383 178 2HG LYS 23 2HG LYS 23 11.522 13.774 -17.212 179 1HD LYS 23 1HD LYS 23 13.178 14.688 -15.948 180 2HD LYS 23 2HD LYS 23 13.212 13.307 -14.870 181 1HE LYS 23 1HE LYS 23 14.926 12.255 -16.033 182 2HE LYS 23 2HE LYS 23 14.395 12.862 -17.588 183 1HZ LYS 23 3HZ LYS 23 15.162 15.032 -16.052 184 2HZ LYS 23 1HZ LYS 23 16.344 13.914 -15.922 185 3HZ LYS 23 2HZ LYS 23 15.886 14.446 -17.395 186 H SER 24 H SER 24 8.566 9.750 -15.402 187 HA SER 24 HA SER 24 9.235 7.925 -17.444 188 1HB SER 24 1HB SER 24 11.028 8.116 -15.164 189 2HB SER 24 2HB SER 24 10.236 6.552 -15.148 190 HG SER 24 HG SER 24 11.181 7.410 -17.675 191 H THR 25 H THR 25 6.787 8.235 -17.175 192 HA THR 25 HA THR 25 5.677 6.907 -14.835 193 HB THR 25 HB THR 25 3.979 7.891 -17.110 194 HG1 THR 25 HG1 THR 25 4.551 10.098 -16.421 195 1HG2 THR 25 3HG2 THR 25 3.952 7.798 -14.117 196 2HG2 THR 25 1HG2 THR 25 3.278 9.279 -14.840 197 3HG2 THR 25 2HG2 THR 25 2.594 7.692 -15.262 198 H TRP 26 H TRP 26 5.940 4.734 -14.870 199 HA TRP 26 HA TRP 26 5.026 3.399 -17.327 200 1HB TRP 26 1HB TRP 26 7.197 2.592 -15.390 201 2HB TRP 26 2HB TRP 26 6.520 1.518 -16.598 202 HD1 TRP 26 HD1 TRP 26 6.507 4.490 -18.544 203 HE1 TRP 26 HE1 TRP 26 8.686 4.952 -19.960 204 HE3 TRP 26 HE3 TRP 26 9.492 1.277 -15.972 205 HZ2 TRP 26 HZ2 TRP 26 11.354 3.944 -19.848 206 HZ3 TRP 26 HZ3 TRP 26 11.871 1.075 -16.691 207 HH2 TRP 26 HH2 TRP 26 12.811 2.344 -18.555 208 H LEU 27 H LEU 27 3.682 1.512 -16.996 209 HA LEU 27 HA LEU 27 2.937 0.860 -14.287 210 1HB LEU 27 1HB LEU 27 0.823 1.641 -14.244 211 2HB LEU 27 2HB LEU 27 1.576 2.906 -15.192 212 HG LEU 27 HG LEU 27 -0.400 2.502 -16.331 213 1HD1 LEU 27 3HD1 LEU 27 1.937 1.986 -17.621 214 2HD1 LEU 27 1HD1 LEU 27 1.013 0.508 -17.983 215 3HD1 LEU 27 2HD1 LEU 27 0.347 2.102 -18.411 216 1HD2 LEU 27 3HD2 LEU 27 -0.368 0.026 -15.027 217 2HD2 LEU 27 1HD2 LEU 27 -1.656 0.690 -16.061 218 3HD2 LEU 27 2HD2 LEU 27 -0.402 -0.360 -16.764 219 H ILE 28 H ILE 28 1.154 -0.959 -14.410 220 HA ILE 28 HA ILE 28 1.793 -2.611 -16.754 221 HB ILE 28 HB ILE 28 1.168 -3.790 -14.078 222 1HG1 ILE 28 1HG1 ILE 28 4.015 -3.193 -14.847 223 2HG1 ILE 28 2HG1 ILE 28 3.067 -1.993 -13.990 224 1HG2 ILE 28 1HG2 ILE 28 2.774 -4.692 -16.482 225 2HG2 ILE 28 2HG2 ILE 28 2.629 -5.599 -14.958 226 3HG2 ILE 28 3HG2 ILE 28 1.184 -5.296 -15.954 227 1HD1 ILE 28 3HD1 ILE 28 2.956 -4.788 -12.910 228 2HD1 ILE 28 1HD1 ILE 28 4.488 -3.905 -12.710 229 3HD1 ILE 28 2HD1 ILE 28 2.980 -3.235 -12.042 230 H LEU 29 H LEU 29 0.076 -3.228 -17.961 231 HA LEU 29 HA LEU 29 -2.547 -3.132 -16.646 232 1HB LEU 29 1HB LEU 29 -1.695 -1.305 -18.482 233 2HB LEU 29 2HB LEU 29 -2.454 -2.496 -19.520 234 HG LEU 29 HG LEU 29 -3.668 -0.665 -17.508 235 1HD1 LEU 29 2HD1 LEU 29 -3.693 -0.478 -20.088 236 2HD1 LEU 29 3HD1 LEU 29 -4.938 -1.749 -20.013 237 3HD1 LEU 29 1HD1 LEU 29 -5.202 -0.194 -19.188 238 1HD2 LEU 29 1HD2 LEU 29 -4.585 -3.495 -17.956 239 2HD2 LEU 29 2HD2 LEU 29 -4.435 -2.578 -16.438 240 3HD2 LEU 29 3HD2 LEU 29 -5.749 -2.202 -17.578 241 H HIS 30 H HIS 30 -3.773 -4.950 -16.878 242 HA HIS 30 HA HIS 30 -4.430 -6.931 -17.563 243 1HB HIS 30 1HB HIS 30 -4.377 -5.880 -19.837 244 2HB HIS 30 2HB HIS 30 -2.755 -6.507 -20.054 245 HD1 HIS 30 HD1 HIS 30 -2.528 -8.894 -20.874 246 HD2 HIS 30 HD2 HIS 30 -6.415 -7.980 -19.588 247 HE1 HIS 30 HE1 HIS 30 -3.982 -10.888 -21.522 248 HE2 HIS 30 HE2 HIS 30 -6.348 -10.293 -20.659 249 H TYR 31 H TYR 31 -0.941 -6.456 -18.467 250 HA TYR 31 HA TYR 31 0.055 -8.086 -16.472 251 1HB TYR 31 1HB TYR 31 -1.336 -9.552 -18.422 252 2HB TYR 31 2HB TYR 31 0.288 -9.577 -19.079 253 HD1 TYR 31 HD1 TYR 31 -1.228 -12.022 -18.200 254 HD2 TYR 31 HD2 TYR 31 1.453 -9.462 -16.065 255 HE1 TYR 31 HE1 TYR 31 -0.625 -13.940 -16.644 256 HE2 TYR 31 HE2 TYR 31 2.049 -11.388 -14.516 257 HH TYR 31 HH TYR 31 1.586 -14.448 -15.190 258 H LYS 32 H LYS 32 0.218 -6.181 -19.297 259 HA LYS 32 HA LYS 32 3.123 -6.538 -19.464 260 1HB LYS 32 1HB LYS 32 1.375 -5.097 -21.465 261 2HB LYS 32 2HB LYS 32 3.015 -5.677 -21.673 262 1HG LYS 32 1HG LYS 32 2.081 -7.545 -22.581 263 2HG LYS 32 2HG LYS 32 1.679 -8.004 -20.939 264 1HD LYS 32 1HD LYS 32 -0.556 -7.313 -21.133 265 2HD LYS 32 2HD LYS 32 -0.197 -6.127 -22.372 266 1HE LYS 32 1HE LYS 32 0.201 -7.940 -24.028 267 2HE LYS 32 2HE LYS 32 -0.077 -9.152 -22.795 268 1HZ LYS 32 3HZ LYS 32 -2.291 -7.842 -22.542 269 2HZ LYS 32 1HZ LYS 32 -1.988 -7.397 -24.083 270 3HZ LYS 32 2HZ LYS 32 -2.123 -8.979 -23.703 271 H VAL 33 H VAL 33 4.268 -4.341 -20.056 272 HA VAL 33 HA VAL 33 3.224 -2.364 -18.151 273 HB VAL 33 HB VAL 33 5.491 -1.709 -17.763 274 1HG1 VAL 33 1HG1 VAL 33 4.585 -4.456 -17.359 275 2HG1 VAL 33 2HG1 VAL 33 6.360 -4.326 -17.377 276 3HG1 VAL 33 3HG1 VAL 33 5.408 -3.345 -16.237 277 1HG2 VAL 33 3HG2 VAL 33 5.974 -2.971 -20.311 278 2HG2 VAL 33 1HG2 VAL 33 7.027 -1.888 -19.369 279 3HG2 VAL 33 2HG2 VAL 33 7.073 -3.644 -19.083 280 H TYR 34 H TYR 34 2.810 -0.296 -18.851 281 HA TYR 34 HA TYR 34 3.530 0.266 -21.650 282 1HB TYR 34 1HB TYR 34 1.126 1.216 -19.977 283 2HB TYR 34 2HB TYR 34 1.331 1.458 -21.701 284 HD1 TYR 34 HD1 TYR 34 1.310 -1.429 -19.288 285 HD2 TYR 34 HD2 TYR 34 0.059 0.104 -23.081 286 HE1 TYR 34 HE1 TYR 34 0.042 -3.583 -19.749 287 HE2 TYR 34 HE2 TYR 34 -1.205 -2.055 -23.529 288 HH TYR 34 HH TYR 34 -1.117 -4.717 -21.176 289 H ASP 35 H ASP 35 4.010 2.490 -22.173 290 HA ASP 35 HA ASP 35 5.233 3.808 -19.952 291 1HB ASP 35 1HB ASP 35 5.504 3.763 -22.845 292 2HB ASP 35 2HB ASP 35 5.314 5.426 -22.324 293 H LEU 36 H LEU 36 3.445 4.653 -18.702 294 HA LEU 36 HA LEU 36 1.229 5.918 -19.839 295 1HB LEU 36 1HB LEU 36 2.472 5.892 -17.104 296 2HB LEU 36 2HB LEU 36 1.088 6.909 -17.455 297 HG LEU 36 HG LEU 36 1.269 3.913 -17.355 298 1HD1 LEU 36 3HD1 LEU 36 0.189 5.960 -15.713 299 2HD1 LEU 36 1HD1 LEU 36 -1.177 5.026 -16.370 300 3HD1 LEU 36 2HD1 LEU 36 0.123 4.196 -15.481 301 1HD2 LEU 36 1HD2 LEU 36 -0.553 5.524 -19.104 302 2HD2 LEU 36 2HD2 LEU 36 0.227 3.951 -19.401 303 3HD2 LEU 36 3HD2 LEU 36 -1.176 4.058 -18.310 304 H THR 37 H THR 37 4.510 7.023 -19.049 305 HA THR 37 HA THR 37 4.051 9.763 -18.986 306 HB THR 37 HB THR 37 6.256 7.878 -19.076 307 HG1 THR 37 HG1 THR 37 7.197 9.972 -18.158 308 1HG2 THR 37 2HG2 THR 37 6.537 8.936 -21.430 309 2HG2 THR 37 3HG2 THR 37 6.763 10.486 -20.586 310 3HG2 THR 37 1HG2 THR 37 7.904 9.148 -20.310 311 H LYS 38 H LYS 38 3.601 7.547 -21.580 312 HA LYS 38 HA LYS 38 3.916 9.689 -23.543 313 1HB LYS 38 1HB LYS 38 3.888 6.694 -23.663 314 2HB LYS 38 2HB LYS 38 3.374 7.593 -25.076 315 1HG LYS 38 1HG LYS 38 5.675 8.970 -24.326 316 2HG LYS 38 2HG LYS 38 6.083 7.322 -23.895 317 1HD LYS 38 1HD LYS 38 5.097 6.757 -26.307 318 2HD LYS 38 2HD LYS 38 5.402 8.455 -26.618 319 1HE LYS 38 1HE LYS 38 7.797 8.078 -25.776 320 2HE LYS 38 2HE LYS 38 7.446 6.361 -25.747 321 1HZ LYS 38 2HZ LYS 38 6.649 6.931 -28.168 322 2HZ LYS 38 3HZ LYS 38 7.767 8.112 -28.014 323 3HZ LYS 38 1HZ LYS 38 8.201 6.547 -27.836 324 H PHE 39 H PHE 39 1.551 7.727 -21.790 325 HA PHE 39 HA PHE 39 -0.572 8.763 -23.503 326 1HB PHE 39 1HB PHE 39 -0.284 6.282 -22.762 327 2HB PHE 39 2HB PHE 39 -0.622 6.812 -21.125 328 HD1 PHE 39 HD1 PHE 39 -2.560 5.371 -20.943 329 HD2 PHE 39 HD2 PHE 39 -2.351 8.335 -23.971 330 HE1 PHE 39 HE1 PHE 39 -5.020 5.110 -21.368 331 HE2 PHE 39 HE2 PHE 39 -4.811 8.075 -24.397 332 HZ PHE 39 HZ PHE 39 -6.116 6.466 -23.089 333 H LEU 40 H LEU 40 1.162 10.050 -21.110 334 HA LEU 40 HA LEU 40 -0.702 10.612 -19.093 335 1HB LEU 40 1HB LEU 40 2.006 11.122 -19.658 336 2HB LEU 40 2HB LEU 40 1.261 12.694 -19.453 337 HG LEU 40 HG LEU 40 0.281 11.764 -17.264 338 1HD1 LEU 40 3HD1 LEU 40 0.760 9.382 -17.798 339 2HD1 LEU 40 1HD1 LEU 40 2.496 9.729 -17.619 340 3HD1 LEU 40 2HD1 LEU 40 1.404 9.910 -16.225 341 1HD2 LEU 40 3HD2 LEU 40 3.158 12.459 -17.766 342 2HD2 LEU 40 1HD2 LEU 40 1.872 13.417 -16.993 343 3HD2 LEU 40 2HD2 LEU 40 2.607 12.047 -16.124 344 H GLU 41 H GLU 41 0.330 12.456 -22.039 345 HA GLU 41 HA GLU 41 -1.113 14.687 -21.682 346 1HB GLU 41 1HB GLU 41 0.227 13.412 -23.828 347 2HB GLU 41 2HB GLU 41 -1.369 13.780 -24.450 348 1HG GLU 41 1HG GLU 41 -1.077 16.161 -23.566 349 2HG GLU 41 2HG GLU 41 0.579 15.750 -23.167 350 H GLU 42 H GLU 42 -2.318 11.862 -23.645 351 HA GLU 42 HA GLU 42 -4.874 12.762 -23.887 352 1HB GLU 42 1HB GLU 42 -3.428 10.262 -24.286 353 2HB GLU 42 2HB GLU 42 -5.042 9.931 -23.689 354 1HG GLU 42 1HG GLU 42 -5.072 12.042 -25.735 355 2HG GLU 42 2HG GLU 42 -4.328 10.576 -26.344 356 H HIS 43 H HIS 43 -6.596 10.699 -22.875 357 HA HIS 43 HA HIS 43 -7.552 9.901 -21.027 358 1HB HIS 43 1HB HIS 43 -4.988 10.354 -20.050 359 2HB HIS 43 2HB HIS 43 -6.004 11.271 -18.956 360 HD1 HIS 43 HD1 HIS 43 -4.574 8.052 -19.203 361 HD2 HIS 43 HD2 HIS 43 -8.397 9.432 -18.168 362 HE1 HIS 43 HE1 HIS 43 -5.677 6.173 -17.874 363 HE2 HIS 43 HE2 HIS 43 -8.003 7.101 -17.220 364 HA PRO 44 HA PRO 44 -9.985 13.500 -20.636 365 1HB PRO 44 1HB PRO 44 -12.283 12.293 -19.779 366 2HB PRO 44 2HB PRO 44 -11.846 12.431 -21.470 367 1HG PRO 44 1HG PRO 44 -11.734 10.055 -19.715 368 2HG PRO 44 2HG PRO 44 -11.717 10.128 -21.466 369 1HD PRO 44 1HD PRO 44 -9.471 9.658 -19.746 370 2HD PRO 44 2HD PRO 44 -9.436 9.847 -21.488 371 H GLY 45 H GLY 45 -8.686 11.660 -18.251 372 1HA GLY 45 2HA GLY 45 -8.979 11.744 -15.933 373 2HA GLY 45 1HA GLY 45 -10.009 13.153 -16.101 374 H GLY 46 H GLY 46 -6.675 12.330 -17.311 375 1HA GLY 46 2HA GLY 46 -5.543 14.450 -15.663 376 2HA GLY 46 1HA GLY 46 -5.486 14.704 -17.396 377 H GLU 47 H GLU 47 -3.146 14.428 -15.759 378 HA GLU 47 HA GLU 47 -2.003 12.165 -17.110 379 1HB GLU 47 1HB GLU 47 -0.884 14.542 -15.600 380 2HB GLU 47 2HB GLU 47 0.147 13.180 -15.987 381 1HG GLU 47 1HG GLU 47 0.330 13.833 -18.155 382 2HG GLU 47 2HG GLU 47 -1.411 13.928 -18.337 383 H GLU 48 H GLU 48 -2.539 13.393 -13.759 384 HA GLU 48 HA GLU 48 -1.134 11.537 -12.379 385 1HB GLU 48 1HB GLU 48 -2.982 13.549 -11.785 386 2HB GLU 48 2HB GLU 48 -3.759 12.110 -11.158 387 1HG GLU 48 1HG GLU 48 -2.148 11.770 -9.533 388 2HG GLU 48 2HG GLU 48 -0.841 12.345 -10.549 389 H VAL 49 H VAL 49 -4.492 11.278 -13.697 390 HA VAL 49 HA VAL 49 -5.343 8.973 -12.611 391 HB VAL 49 HB VAL 49 -6.489 10.458 -14.263 392 1HG1 VAL 49 1HG1 VAL 49 -4.482 10.231 -15.914 393 2HG1 VAL 49 2HG1 VAL 49 -5.316 8.752 -16.452 394 3HG1 VAL 49 3HG1 VAL 49 -6.139 10.327 -16.560 395 1HG2 VAL 49 1HG2 VAL 49 -6.898 7.781 -13.676 396 2HG2 VAL 49 2HG2 VAL 49 -8.055 8.866 -14.483 397 3HG2 VAL 49 3HG2 VAL 49 -6.985 7.826 -15.453 398 H LEU 50 H LEU 50 -2.606 9.420 -14.783 399 HA LEU 50 HA LEU 50 -2.361 6.505 -15.002 400 1HB LEU 50 1HB LEU 50 -1.011 8.633 -16.663 401 2HB LEU 50 2HB LEU 50 -0.945 6.900 -16.914 402 HG LEU 50 HG LEU 50 -3.696 7.634 -16.910 403 1HD1 LEU 50 2HD1 LEU 50 -2.175 9.859 -17.660 404 2HD1 LEU 50 3HD1 LEU 50 -2.733 9.139 -19.189 405 3HD1 LEU 50 1HD1 LEU 50 -3.914 9.591 -17.936 406 1HD2 LEU 50 1HD2 LEU 50 -2.235 5.832 -18.170 407 2HD2 LEU 50 2HD2 LEU 50 -3.762 6.435 -18.858 408 3HD2 LEU 50 3HD2 LEU 50 -2.208 7.076 -19.443 409 H ARG 51 H ARG 51 -0.708 9.573 -14.112 410 HA ARG 51 HA ARG 51 1.714 8.382 -13.492 411 1HB ARG 51 1HB ARG 51 0.955 10.931 -13.720 412 2HB ARG 51 2HB ARG 51 0.689 10.812 -11.993 413 1HG ARG 51 1HG ARG 51 3.275 9.641 -12.756 414 2HG ARG 51 2HG ARG 51 3.149 11.306 -13.286 415 1HD ARG 51 1HD ARG 51 2.132 11.555 -10.753 416 2HD ARG 51 2HD ARG 51 3.215 10.201 -10.502 417 HE ARG 51 HE ARG 51 4.465 12.382 -11.997 418 1HH1 ARG 51 2HH1 ARG 51 6.150 13.545 -10.984 419 2HH1 ARG 51 1HH1 ARG 51 6.389 13.411 -9.274 420 1HH2 ARG 51 2HH2 ARG 51 3.719 11.168 -8.779 421 2HH2 ARG 51 1HH2 ARG 51 4.997 12.049 -8.011 422 H GLU 52 H GLU 52 -1.204 9.188 -11.503 423 HA GLU 52 HA GLU 52 -0.136 8.473 -9.066 424 1HB GLU 52 1HB GLU 52 -2.702 9.218 -10.145 425 2HB GLU 52 2HB GLU 52 -2.939 7.826 -9.109 426 1HG GLU 52 1HG GLU 52 -1.220 10.139 -8.162 427 2HG GLU 52 2HG GLU 52 -2.966 10.248 -8.058 428 H GLN 53 H GLN 53 -1.098 6.528 -11.799 429 HA GLN 53 HA GLN 53 -1.306 4.178 -10.118 430 1HB GLN 53 1HB GLN 53 -2.119 3.047 -12.171 431 2HB GLN 53 2HB GLN 53 -3.064 4.479 -11.810 432 1HG GLN 53 1HG GLN 53 -1.887 5.781 -13.508 433 2HG GLN 53 2HG GLN 53 -0.708 4.507 -13.748 434 1HE2 GLN 53 1HE2 GLN 53 -3.920 5.634 -14.365 435 2HE2 GLN 53 2HE2 GLN 53 -4.394 4.448 -15.535 436 H ALA 54 H ALA 54 0.809 5.852 -12.396 437 HA ALA 54 HA ALA 54 2.370 3.748 -13.280 438 1HB ALA 54 3HB ALA 54 2.298 6.312 -13.863 439 2HB ALA 54 2HB ALA 54 3.828 5.416 -14.018 440 3HB ALA 54 1HB ALA 54 3.538 6.442 -12.593 441 H GLY 55 H GLY 55 3.812 2.396 -12.312 442 1HA GLY 55 2HA GLY 55 4.633 3.084 -9.554 443 2HA GLY 55 1HA GLY 55 5.739 2.412 -10.735 444 H GLY 56 H GLY 56 2.922 0.974 -11.629 445 1HA GLY 56 2HA GLY 56 2.436 -0.910 -9.570 446 2HA GLY 56 1HA GLY 56 3.582 -1.567 -10.720 447 H ASP 57 H ASP 57 1.299 -2.953 -10.629 448 HA ASP 57 HA ASP 57 0.296 -2.650 -13.212 449 1HB ASP 57 1HB ASP 57 0.005 -4.842 -12.633 450 2HB ASP 57 2HB ASP 57 -0.027 -4.475 -10.920 451 H ALA 58 H ALA 58 -1.332 -1.235 -13.871 452 HA ALA 58 HA ALA 58 -2.957 0.010 -11.804 453 1HB ALA 58 3HB ALA 58 -1.617 1.118 -13.831 454 2HB ALA 58 1HB ALA 58 -3.117 0.739 -14.711 455 3HB ALA 58 2HB ALA 58 -3.170 1.782 -13.269 456 H THR 59 H THR 59 -3.039 -2.599 -14.051 457 HA THR 59 HA THR 59 -5.600 -2.575 -15.033 458 HB THR 59 HB THR 59 -3.398 -4.338 -14.865 459 HG1 THR 59 HG1 THR 59 -6.151 -4.559 -15.862 460 1HG2 THR 59 3HG2 THR 59 -5.978 -5.686 -13.905 461 2HG2 THR 59 1HG2 THR 59 -4.463 -6.510 -14.346 462 3HG2 THR 59 2HG2 THR 59 -4.524 -5.471 -12.902 463 H GLU 60 H GLU 60 -4.508 -3.855 -11.824 464 HA GLU 60 HA GLU 60 -6.822 -4.839 -10.937 465 1HB GLU 60 1HB GLU 60 -6.043 -4.228 -8.637 466 2HB GLU 60 2HB GLU 60 -4.772 -4.926 -9.621 467 1HG GLU 60 1HG GLU 60 -3.530 -3.099 -9.087 468 2HG GLU 60 2HG GLU 60 -4.546 -2.204 -10.199 469 H ASN 61 H ASN 61 -6.085 -1.467 -11.613 470 HA ASN 61 HA ASN 61 -8.447 -0.626 -10.172 471 1HB ASN 61 1HB ASN 61 -5.952 0.571 -10.590 472 2HB ASN 61 2HB ASN 61 -6.958 1.405 -11.757 473 1HD2 ASN 61 1HD2 ASN 61 -5.888 1.350 -8.631 474 2HD2 ASN 61 2HD2 ASN 61 -7.074 2.348 -7.858 475 H PHE 62 H PHE 62 -6.859 -0.313 -13.441 476 HA PHE 62 HA PHE 62 -8.815 0.915 -14.832 477 1HB PHE 62 1HB PHE 62 -7.143 0.400 -16.347 478 2HB PHE 62 2HB PHE 62 -6.512 -0.818 -15.258 479 HD1 PHE 62 HD1 PHE 62 -8.315 -0.212 -18.305 480 HD2 PHE 62 HD2 PHE 62 -7.463 -3.155 -15.369 481 HE1 PHE 62 HE1 PHE 62 -9.035 -2.011 -19.899 482 HE2 PHE 62 HE2 PHE 62 -8.183 -4.955 -16.963 483 HZ PHE 62 HZ PHE 62 -8.961 -4.361 -19.210 484 H GLU 63 H GLU 63 -8.898 -2.326 -13.459 485 HA GLU 63 HA GLU 63 -10.881 -3.314 -15.194 486 1HB GLU 63 1HB GLU 63 -9.444 -4.209 -12.770 487 2HB GLU 63 2HB GLU 63 -11.096 -4.790 -12.838 488 1HG GLU 63 1HG GLU 63 -9.561 -4.980 -15.400 489 2HG GLU 63 2HG GLU 63 -8.992 -6.015 -14.104 490 H ASP 64 H ASP 64 -10.901 -1.880 -11.867 491 HA ASP 64 HA ASP 64 -13.584 -2.198 -11.402 492 1HB ASP 64 1HB ASP 64 -11.412 -1.051 -10.093 493 2HB ASP 64 2HB ASP 64 -12.414 0.350 -10.416 494 H VAL 65 H VAL 65 -11.691 0.424 -13.022 495 HA VAL 65 HA VAL 65 -13.991 2.076 -13.426 496 HB VAL 65 HB VAL 65 -12.184 3.406 -13.341 497 1HG1 VAL 65 3HG1 VAL 65 -10.629 1.043 -14.390 498 2HG1 VAL 65 1HG1 VAL 65 -9.904 2.667 -14.326 499 3HG1 VAL 65 2HG1 VAL 65 -10.479 1.890 -12.832 500 1HG2 VAL 65 1HG2 VAL 65 -13.131 3.758 -15.593 501 2HG2 VAL 65 2HG2 VAL 65 -11.386 4.105 -15.542 502 3HG2 VAL 65 3HG2 VAL 65 -11.971 2.583 -16.256 503 H GLY 66 H GLY 66 -13.154 -0.886 -14.669 504 1HA GLY 66 2HA GLY 66 -15.013 -1.228 -16.515 505 2HA GLY 66 1HA GLY 66 -13.410 -1.913 -16.694 506 H HIS 67 H HIS 67 -11.809 -0.836 -18.035 507 HA HIS 67 HA HIS 67 -12.641 1.515 -19.456 508 1HB HIS 67 1HB HIS 67 -10.144 -0.059 -19.118 509 2HB HIS 67 2HB HIS 67 -10.327 0.770 -20.651 510 HD1 HIS 67 HD1 HIS 67 -11.959 3.242 -19.205 511 HD2 HIS 67 HD2 HIS 67 -8.143 1.761 -18.289 512 HE1 HIS 67 HE1 HIS 67 -10.718 5.140 -18.034 513 HE2 HIS 67 HE2 HIS 67 -8.399 4.152 -17.447 514 H SER 68 H SER 68 -12.205 1.468 -21.976 515 HA SER 68 HA SER 68 -13.852 -0.697 -22.932 516 1HB SER 68 1HB SER 68 -14.388 0.686 -24.756 517 2HB SER 68 2HB SER 68 -14.188 1.835 -23.449 518 HG SER 68 HG SER 68 -12.753 2.785 -24.714 519 H THR 69 H THR 69 -13.251 -1.850 -24.984 520 HA THR 69 HA THR 69 -10.660 -2.884 -24.860 521 HB THR 69 HB THR 69 -12.985 -2.962 -26.815 522 HG1 THR 69 HG1 THR 69 -12.844 -5.179 -25.982 523 1HG2 THR 69 3HG2 THR 69 -10.173 -4.083 -27.177 524 2HG2 THR 69 1HG2 THR 69 -11.591 -4.929 -27.843 525 3HG2 THR 69 2HG2 THR 69 -11.203 -3.279 -28.387 526 H ASP 70 H ASP 70 -11.869 0.061 -26.286 527 HA ASP 70 HA ASP 70 -9.869 0.257 -28.251 528 1HB ASP 70 1HB ASP 70 -12.038 1.518 -28.282 529 2HB ASP 70 2HB ASP 70 -11.522 2.428 -26.877 530 H ALA 71 H ALA 71 -10.404 1.615 -24.922 531 HA ALA 71 HA ALA 71 -8.130 3.197 -24.791 532 1HB ALA 71 1HB ALA 71 -8.487 3.042 -22.343 533 2HB ALA 71 2HB ALA 71 -10.016 3.309 -23.214 534 3HB ALA 71 3HB ALA 71 -9.613 1.688 -22.598 535 H ARG 72 H ARG 72 -8.657 -0.289 -23.987 536 HA ARG 72 HA ARG 72 -6.102 -0.672 -22.982 537 1HB ARG 72 1HB ARG 72 -7.888 -2.740 -24.362 538 2HB ARG 72 2HB ARG 72 -6.605 -3.083 -23.221 539 1HG ARG 72 1HG ARG 72 -7.848 -1.785 -21.459 540 2HG ARG 72 2HG ARG 72 -9.145 -1.502 -22.603 541 1HD ARG 72 1HD ARG 72 -9.687 -3.425 -21.139 542 2HD ARG 72 2HD ARG 72 -9.541 -3.950 -22.804 543 HE ARG 72 HE ARG 72 -7.641 -4.530 -20.603 544 1HH1 ARG 72 2HH1 ARG 72 -6.103 -6.172 -21.002 545 2HH1 ARG 72 1HH1 ARG 72 -5.899 -6.799 -22.602 546 1HH2 ARG 72 2HH2 ARG 72 -8.358 -4.728 -24.043 547 2HH2 ARG 72 1HH2 ARG 72 -7.191 -5.972 -24.345 548 H GLU 73 H GLU 73 -7.541 -1.010 -26.274 549 HA GLU 73 HA GLU 73 -5.323 -2.202 -27.440 550 1HB GLU 73 1HB GLU 73 -7.850 -0.954 -28.320 551 2HB GLU 73 2HB GLU 73 -6.555 -0.753 -29.484 552 1HG GLU 73 1HG GLU 73 -6.125 -3.205 -29.459 553 2HG GLU 73 2HG GLU 73 -7.374 -3.426 -28.249 554 H LEU 74 H LEU 74 -6.262 1.228 -26.919 555 HA LEU 74 HA LEU 74 -4.291 2.369 -28.531 556 1HB LEU 74 1HB LEU 74 -5.348 4.207 -27.947 557 2HB LEU 74 2HB LEU 74 -6.394 3.224 -26.942 558 HG LEU 74 HG LEU 74 -4.374 3.576 -25.201 559 1HD1 LEU 74 1HD1 LEU 74 -4.089 5.744 -27.230 560 2HD1 LEU 74 2HD1 LEU 74 -3.908 6.172 -25.513 561 3HD1 LEU 74 3HD1 LEU 74 -2.859 4.928 -26.236 562 1HD2 LEU 74 2HD2 LEU 74 -6.991 4.628 -25.605 563 2HD2 LEU 74 3HD2 LEU 74 -6.089 4.421 -24.085 564 3HD2 LEU 74 1HD2 LEU 74 -5.952 5.940 -25.000 565 H SER 75 H SER 75 -4.286 1.239 -25.116 566 HA SER 75 HA SER 75 -1.887 2.325 -24.379 567 1HB SER 75 1HB SER 75 -2.090 -0.265 -23.174 568 2HB SER 75 2HB SER 75 -2.486 1.288 -22.468 569 HG SER 75 HG SER 75 -4.174 -0.706 -23.408 570 H LYS 76 H LYS 76 -2.642 -0.423 -26.483 571 HA LYS 76 HA LYS 76 -0.217 -1.784 -26.316 572 1HB LYS 76 1HB LYS 76 -1.119 -3.121 -27.889 573 2HB LYS 76 2HB LYS 76 -2.587 -2.237 -27.523 574 1HG LYS 76 1HG LYS 76 -1.959 -0.584 -29.367 575 2HG LYS 76 2HG LYS 76 -0.629 -1.645 -29.790 576 1HD LYS 76 1HD LYS 76 -2.000 -3.148 -30.835 577 2HD LYS 76 2HD LYS 76 -3.190 -3.098 -29.550 578 1HE LYS 76 1HE LYS 76 -4.479 -2.023 -31.118 579 2HE LYS 76 2HE LYS 76 -3.575 -0.607 -30.618 580 1HZ LYS 76 1HZ LYS 76 -1.958 -1.200 -32.377 581 2HZ LYS 76 2HZ LYS 76 -2.994 -2.345 -32.907 582 3HZ LYS 76 3HZ LYS 76 -3.429 -0.772 -32.941 583 H THR 77 H THR 77 -0.930 1.378 -27.445 584 HA THR 77 HA THR 77 1.222 1.418 -29.390 585 HB THR 77 HB THR 77 -1.107 2.649 -29.463 586 HG1 THR 77 HG1 THR 77 0.072 3.810 -30.948 587 1HG2 THR 77 1HG2 THR 77 -0.146 3.813 -27.097 588 2HG2 THR 77 2HG2 THR 77 0.275 5.015 -28.341 589 3HG2 THR 77 3HG2 THR 77 -1.416 4.499 -28.137 590 H PHE 78 H PHE 78 0.769 1.902 -25.972 591 HA PHE 78 HA PHE 78 3.283 3.395 -25.859 592 1HB PHE 78 1HB PHE 78 1.045 2.768 -23.841 593 2HB PHE 78 2HB PHE 78 2.465 3.710 -23.437 594 HD1 PHE 78 HD1 PHE 78 2.871 5.657 -25.367 595 HD2 PHE 78 HD2 PHE 78 -0.849 4.027 -24.142 596 HE1 PHE 78 HE1 PHE 78 1.705 7.746 -26.130 597 HE2 PHE 78 HE2 PHE 78 -2.016 6.114 -24.905 598 HZ PHE 78 HZ PHE 78 -0.725 7.948 -25.890 599 H ILE 79 H ILE 79 1.960 0.235 -25.561 600 HA ILE 79 HA ILE 79 3.193 -0.883 -23.424 601 HB ILE 79 HB ILE 79 2.244 -1.780 -26.051 602 1HG1 ILE 79 1HG1 ILE 79 1.831 -2.382 -23.164 603 2HG1 ILE 79 2HG1 ILE 79 0.659 -2.088 -24.433 604 1HG2 ILE 79 1HG2 ILE 79 4.509 -2.746 -26.085 605 2HG2 ILE 79 2HG2 ILE 79 4.189 -3.527 -24.517 606 3HG2 ILE 79 3HG2 ILE 79 3.242 -3.990 -25.952 607 1HD1 ILE 79 1HD1 ILE 79 1.257 -4.339 -25.436 608 2HD1 ILE 79 2HD1 ILE 79 2.291 -4.633 -24.018 609 3HD1 ILE 79 3HD1 ILE 79 0.533 -4.438 -23.813 610 H ILE 80 H ILE 80 5.245 -0.925 -22.696 611 HA ILE 80 HA ILE 80 7.354 -0.563 -24.703 612 HB ILE 80 HB ILE 80 8.660 0.032 -22.523 613 1HG1 ILE 80 1HG1 ILE 80 5.976 0.980 -21.571 614 2HG1 ILE 80 2HG1 ILE 80 6.481 -0.657 -21.200 615 1HG2 ILE 80 2HG2 ILE 80 7.598 1.466 -24.566 616 2HG2 ILE 80 3HG2 ILE 80 6.782 2.217 -23.174 617 3HG2 ILE 80 1HG2 ILE 80 8.560 2.162 -23.238 618 1HD1 ILE 80 1HD1 ILE 80 8.724 1.092 -20.708 619 2HD1 ILE 80 2HD1 ILE 80 7.287 1.772 -19.908 620 3HD1 ILE 80 3HD1 ILE 80 7.809 0.111 -19.538 621 H GLY 81 H GLY 81 5.997 -2.651 -22.197 622 1HA GLY 81 2HA GLY 81 8.157 -4.250 -21.559 623 2HA GLY 81 1HA GLY 81 7.549 -4.865 -23.084 624 H GLU 82 H GLU 82 7.500 -6.152 -20.400 625 HA GLU 82 HA GLU 82 4.750 -6.009 -19.618 626 1HB GLU 82 1HB GLU 82 5.651 -8.780 -20.346 627 2HB GLU 82 2HB GLU 82 4.032 -8.109 -20.317 628 1HG GLU 82 1HG GLU 82 4.515 -6.784 -22.362 629 2HG GLU 82 2HG GLU 82 6.165 -7.372 -22.377 630 H LEU 83 H LEU 83 4.331 -7.389 -17.641 631 HA LEU 83 HA LEU 83 6.524 -7.165 -15.872 632 1HB LEU 83 1HB LEU 83 4.000 -6.949 -15.441 633 2HB LEU 83 2HB LEU 83 3.989 -8.700 -15.360 634 HG LEU 83 HG LEU 83 4.403 -8.474 -13.185 635 1HD1 LEU 83 1HD1 LEU 83 6.630 -9.159 -13.940 636 2HD1 LEU 83 2HD1 LEU 83 7.118 -7.452 -14.067 637 3HD1 LEU 83 3HD1 LEU 83 6.715 -8.147 -12.478 638 1HD2 LEU 83 1HD2 LEU 83 4.347 -5.713 -13.936 639 2HD2 LEU 83 2HD2 LEU 83 3.958 -6.463 -12.367 640 3HD2 LEU 83 3HD2 LEU 83 5.626 -5.955 -12.722 641 H HIS 84 H HIS 84 8.167 -8.554 -15.502 642 HA HIS 84 HA HIS 84 8.212 -11.015 -16.917 643 1HB HIS 84 1HB HIS 84 10.083 -9.246 -15.794 644 2HB HIS 84 2HB HIS 84 10.269 -10.735 -14.887 645 HD1 HIS 84 HD1 HIS 84 12.682 -10.732 -16.168 646 HD2 HIS 84 HD2 HIS 84 9.294 -11.489 -18.522 647 HE1 HIS 84 HE1 HIS 84 13.535 -11.791 -18.326 648 HE2 HIS 84 HE2 HIS 84 11.404 -12.284 -19.710 649 HA PRO 85 HA PRO 85 7.171 -13.781 -13.729 650 1HB PRO 85 1HB PRO 85 9.224 -15.556 -13.406 651 2HB PRO 85 2HB PRO 85 8.086 -15.638 -14.736 652 1HG PRO 85 1HG PRO 85 10.893 -14.713 -14.756 653 2HG PRO 85 2HG PRO 85 9.890 -15.201 -16.106 654 1HD PRO 85 1HD PRO 85 10.572 -12.518 -15.357 655 2HD PRO 85 2HD PRO 85 9.476 -13.003 -16.636 656 H ASP 86 H ASP 86 9.192 -11.434 -13.050 657 HA ASP 86 HA ASP 86 10.137 -12.349 -10.547 658 1HB ASP 86 1HB ASP 86 11.504 -10.626 -11.202 659 2HB ASP 86 2HB ASP 86 10.261 -9.892 -12.196 660 H ASP 87 H ASP 87 7.212 -10.882 -11.849 661 HA ASP 87 HA ASP 87 5.917 -11.125 -9.367 662 1HB ASP 87 1HB ASP 87 6.625 -8.362 -10.413 663 2HB ASP 87 2HB ASP 87 5.177 -8.599 -9.455 664 H ARG 88 H ARG 88 5.402 -12.342 -11.790 665 HA ARG 88 HA ARG 88 3.621 -10.741 -13.328 666 1HB ARG 88 1HB ARG 88 4.967 -13.350 -13.569 667 2HB ARG 88 2HB ARG 88 3.296 -13.451 -14.088 668 1HG ARG 88 1HG ARG 88 3.589 -11.888 -15.827 669 2HG ARG 88 2HG ARG 88 4.956 -11.117 -15.050 670 1HD ARG 88 1HD ARG 88 5.907 -12.364 -16.857 671 2HD ARG 88 2HD ARG 88 6.255 -13.316 -15.428 672 HE ARG 88 HE ARG 88 3.823 -14.334 -16.258 673 1HH1 ARG 88 2HH1 ARG 88 3.547 -16.069 -17.720 674 2HH1 ARG 88 1HH1 ARG 88 4.773 -16.414 -18.895 675 1HH2 ARG 88 2HH2 ARG 88 6.904 -13.801 -17.876 676 2HH2 ARG 88 1HH2 ARG 88 6.694 -15.115 -18.984 677 H SER 89 H SER 89 3.258 -13.985 -11.695 678 HA SER 89 HA SER 89 0.487 -13.864 -11.710 679 1HB SER 89 1HB SER 89 0.727 -15.726 -9.944 680 2HB SER 89 2HB SER 89 1.471 -16.014 -11.504 681 HG SER 89 HG SER 89 3.263 -16.363 -10.394 682 H LYS 90 H LYS 90 2.724 -12.029 -9.952 683 HA LYS 90 HA LYS 90 1.269 -11.932 -7.480 684 1HB LYS 90 1HB LYS 90 3.841 -11.051 -8.500 685 2HB LYS 90 2HB LYS 90 3.046 -9.761 -7.621 686 1HG LYS 90 1HG LYS 90 2.785 -12.381 -6.274 687 2HG LYS 90 2HG LYS 90 4.455 -11.895 -6.482 688 1HD LYS 90 1HD LYS 90 3.765 -9.595 -5.519 689 2HD LYS 90 2HD LYS 90 2.242 -10.339 -5.079 690 1HE LYS 90 1HE LYS 90 3.178 -11.590 -3.377 691 2HE LYS 90 2HE LYS 90 4.659 -11.889 -4.265 692 1HZ LYS 90 2HZ LYS 90 3.963 -9.310 -3.041 693 2HZ LYS 90 3HZ LYS 90 4.960 -10.417 -2.371 694 3HZ LYS 90 1HZ LYS 90 5.377 -9.682 -3.768 695 H ILE 91 H ILE 91 1.120 -10.435 -10.630 696 HA ILE 91 HA ILE 91 -0.815 -8.518 -9.533 697 HB ILE 91 HB ILE 91 -0.018 -6.805 -10.793 698 1HG1 ILE 91 1HG1 ILE 91 1.373 -8.752 -12.656 699 2HG1 ILE 91 2HG1 ILE 91 -0.193 -8.021 -12.950 700 1HG2 ILE 91 1HG2 ILE 91 1.834 -8.124 -9.263 701 2HG2 ILE 91 2HG2 ILE 91 2.692 -7.939 -10.811 702 3HG2 ILE 91 3HG2 ILE 91 2.045 -6.508 -9.976 703 1HD1 ILE 91 1HD1 ILE 91 1.614 -5.900 -12.246 704 2HD1 ILE 91 2HD1 ILE 91 2.413 -6.916 -13.470 705 3HD1 ILE 91 3HD1 ILE 91 0.821 -6.194 -13.811 706 H THR 92 H THR 92 0.139 -10.869 -12.020 707 HA THR 92 HA THR 92 -1.489 -10.647 -14.053 708 HB THR 92 HB THR 92 -0.059 -12.669 -13.147 709 HG1 THR 92 HG1 THR 92 -1.382 -13.975 -14.668 710 1HG2 THR 92 2HG2 THR 92 -1.609 -13.191 -11.207 711 2HG2 THR 92 3HG2 THR 92 -2.897 -13.533 -12.387 712 3HG2 THR 92 1HG2 THR 92 -1.438 -14.550 -12.344 713 H LYS 93 H LYS 93 -3.615 -10.686 -14.682 714 HA LYS 93 HA LYS 93 -5.520 -9.644 -13.136 715 1HB LYS 93 1HB LYS 93 -5.581 -10.177 -15.613 716 2HB LYS 93 2HB LYS 93 -6.096 -11.796 -15.186 717 1HG LYS 93 1HG LYS 93 -7.859 -10.358 -13.672 718 2HG LYS 93 2HG LYS 93 -7.588 -9.204 -14.960 719 1HD LYS 93 1HD LYS 93 -9.016 -10.370 -16.277 720 2HD LYS 93 2HD LYS 93 -7.904 -11.723 -16.252 721 1HE LYS 93 1HE LYS 93 -8.964 -12.647 -14.242 722 2HE LYS 93 2HE LYS 93 -9.961 -11.218 -14.054 723 1HZ LYS 93 2HZ LYS 93 -10.135 -12.585 -16.589 724 2HZ LYS 93 3HZ LYS 93 -10.785 -13.354 -15.304 725 3HZ LYS 93 1HZ LYS 93 -11.309 -11.862 -15.714 726 HA PRO 94 HA PRO 94 -5.916 -12.891 -10.160 727 1HB PRO 94 1HB PRO 94 -6.769 -11.312 -8.099 728 2HB PRO 94 2HB PRO 94 -5.078 -11.646 -8.414 729 1HG PRO 94 1HG PRO 94 -6.609 -9.174 -8.947 730 2HG PRO 94 2HG PRO 94 -4.872 -9.391 -8.851 731 1HD PRO 94 1HD PRO 94 -6.436 -9.099 -11.238 732 2HD PRO 94 2HD PRO 94 -4.718 -9.432 -11.145 733 H SER 95 H SER 95 -7.913 -12.890 -8.229 734 HA SER 95 HA SER 95 -10.157 -13.161 -10.053 735 1HB SER 95 1HB SER 95 -9.625 -15.205 -8.866 736 2HB SER 95 2HB SER 95 -9.554 -14.372 -7.325 737 HG SER 95 HG SER 95 -11.746 -15.416 -8.659 738 H GLU 96 H GLU 96 -9.626 -12.322 -6.542 739 HA GLU 96 HA GLU 96 -10.407 -10.717 -5.299 740 1HB GLU 96 1HB GLU 96 -10.121 -9.439 -7.768 741 2HB GLU 96 2HB GLU 96 -11.771 -9.055 -7.319 742 1HG GLU 96 1HG GLU 96 -11.138 -7.813 -5.462 743 2HG GLU 96 2HG GLU 96 -9.730 -8.805 -5.139 744 H SER 97 H SER 97 -12.366 -10.217 -4.147 745 HA SER 97 HA SER 97 -14.878 -10.484 -5.254 746 1HB SER 97 1HB SER 97 -15.644 -12.632 -4.552 747 2HB SER 97 2HB SER 97 -14.120 -12.925 -5.366 748 HG SER 97 HG SER 97 -13.447 -13.853 -3.569 749 H ILE 98 H ILE 98 -16.518 -9.936 -3.681 750 HA ILE 98 HA ILE 98 -16.092 -10.048 -0.925 751 HB ILE 98 HB ILE 98 -14.356 -8.333 -1.595 752 1HG1 ILE 98 1HG1 ILE 98 -15.097 -8.601 0.701 753 2HG1 ILE 98 2HG1 ILE 98 -14.834 -6.907 0.340 754 1HG2 ILE 98 2HG2 ILE 98 -16.398 -7.231 -3.075 755 2HG2 ILE 98 3HG2 ILE 98 -16.330 -6.169 -1.648 756 3HG2 ILE 98 1HG2 ILE 98 -14.872 -6.427 -2.637 757 1HD1 ILE 98 2HD1 ILE 98 -17.481 -7.120 -0.335 758 2HD1 ILE 98 3HD1 ILE 98 -17.374 -8.345 0.952 759 3HD1 ILE 98 1HD1 ILE 98 -16.911 -6.659 1.287 760 H ILE 99 H ILE 99 -18.075 -9.914 0.031 761 HA ILE 99 HA ILE 99 -20.137 -8.410 -1.391 762 HB ILE 99 HB ILE 99 -20.080 -10.924 -1.955 763 1HG1 ILE 99 1HG1 ILE 99 -22.808 -10.442 -1.061 764 2HG1 ILE 99 2HG1 ILE 99 -22.116 -9.005 -1.788 765 1HG2 ILE 99 2HG2 ILE 99 -19.770 -11.695 0.375 766 2HG2 ILE 99 3HG2 ILE 99 -21.394 -11.082 0.771 767 3HG2 ILE 99 1HG2 ILE 99 -21.205 -12.402 -0.407 768 1HD1 ILE 99 3HD1 ILE 99 -21.491 -11.501 -3.267 769 2HD1 ILE 99 1HD1 ILE 99 -23.223 -11.100 -3.204 770 3HD1 ILE 99 2HD1 ILE 99 -22.063 -9.930 -3.877 771 H THR 100 H THR 100 -21.563 -7.333 -0.042 772 HA THR 100 HA THR 100 -21.188 -7.829 2.838 773 HB THR 100 HB THR 100 -21.521 -5.159 1.371 774 HG1 THR 100 HG1 THR 100 -19.253 -5.018 2.061 775 1HG2 THR 100 2HG2 THR 100 -22.367 -5.422 3.856 776 2HG2 THR 100 3HG2 THR 100 -20.640 -5.599 4.251 777 3HG2 THR 100 1HG2 THR 100 -21.230 -4.102 3.488 778 H THR 101 H THR 101 -22.997 -7.791 4.153 779 HA THR 101 HA THR 101 -25.552 -7.341 2.777 780 HB THR 101 HB THR 101 -24.889 -9.817 2.877 781 HG1 THR 101 HG1 THR 101 -27.088 -8.938 4.608 782 1HG2 THR 101 2HG2 THR 101 -23.863 -9.623 5.248 783 2HG2 THR 101 3HG2 THR 101 -25.534 -9.478 5.845 784 3HG2 THR 101 1HG2 THR 101 -25.012 -10.960 5.008 785 H ILE 102 H ILE 102 -27.005 -6.145 3.882 786 HA ILE 102 HA ILE 102 -26.101 -5.063 6.391 787 HB ILE 102 HB ILE 102 -27.227 -3.868 4.381 788 1HG1 ILE 102 1HG1 ILE 102 -28.577 -2.614 6.510 789 2HG1 ILE 102 2HG1 ILE 102 -27.175 -3.373 7.238 790 1HG2 ILE 102 3HG2 ILE 102 -29.235 -5.542 4.641 791 2HG2 ILE 102 1HG2 ILE 102 -29.774 -4.377 5.875 792 3HG2 ILE 102 2HG2 ILE 102 -29.517 -3.842 4.197 793 1HD1 ILE 102 2HD1 ILE 102 -26.944 -1.739 4.682 794 2HD1 ILE 102 3HD1 ILE 102 -26.852 -0.990 6.295 795 3HD1 ILE 102 1HD1 ILE 102 -25.649 -2.209 5.809 796 H ASP 103 H ASP 103 -27.097 -5.312 8.418 797 HA ASP 103 HA ASP 103 -28.584 -7.765 8.606 798 1HB ASP 103 1HB ASP 103 -26.610 -7.045 10.127 799 2HB ASP 103 2HB ASP 103 -27.725 -5.919 10.872 800 H SER 104 H SER 104 -28.768 -4.407 10.037 801 HA SER 104 HA SER 104 -30.431 -3.127 10.586 802 1HB SER 104 1HB SER 104 -32.239 -2.854 9.080 803 2HB SER 104 2HB SER 104 -30.954 -3.507 8.085 804 HG SER 104 HG SER 104 -32.186 -5.661 9.001 No H/Q in entry = 804 Start of MODEL 14 1 H ALA 1 H ALA 1 31.512 1.124 -32.154 2 HA ALA 1 HA ALA 1 32.404 1.276 -34.633 3 1HB ALA 1 3HB ALA 1 30.816 -1.268 -34.777 4 2HB ALA 1 1HB ALA 1 32.091 -0.658 -35.858 5 3HB ALA 1 2HB ALA 1 32.523 -1.368 -34.285 6 H GLU 2 H GLU 2 29.432 -0.412 -33.375 7 HA GLU 2 HA GLU 2 27.901 1.885 -33.354 8 1HB GLU 2 1HB GLU 2 26.482 1.585 -35.346 9 2HB GLU 2 2HB GLU 2 28.151 1.844 -35.815 10 1HG GLU 2 1HG GLU 2 28.371 -0.747 -35.867 11 2HG GLU 2 2HG GLU 2 26.621 -0.790 -35.770 12 H GLU 3 H GLU 3 25.734 1.447 -32.581 13 HA GLU 3 HA GLU 3 24.682 -1.130 -32.570 14 1HB GLU 3 1HB GLU 3 24.937 -1.735 -30.201 15 2HB GLU 3 2HB GLU 3 26.511 -1.582 -30.955 16 1HG GLU 3 1HG GLU 3 27.117 0.082 -29.532 17 2HG GLU 3 2HG GLU 3 25.676 1.008 -29.910 18 H SER 4 H SER 4 22.698 -1.227 -31.003 19 HA SER 4 HA SER 4 21.765 1.014 -29.749 20 1HB SER 4 1HB SER 4 21.773 1.588 -32.421 21 2HB SER 4 2HB SER 4 20.184 0.860 -32.282 22 HG SER 4 HG SER 4 20.987 2.847 -30.373 23 H SER 5 H SER 5 19.566 0.664 -28.910 24 HA SER 5 HA SER 5 17.944 -1.380 -29.820 25 1HB SER 5 1HB SER 5 20.157 -2.348 -28.295 26 2HB SER 5 2HB SER 5 18.756 -2.460 -27.247 27 HG SER 5 HG SER 5 18.554 -3.375 -29.958 28 H LYS 6 H LYS 6 16.066 -1.746 -28.263 29 HA LYS 6 HA LYS 6 15.802 -0.485 -25.845 30 1HB LYS 6 1HB LYS 6 15.998 1.463 -27.857 31 2HB LYS 6 2HB LYS 6 14.287 1.371 -27.489 32 1HG LYS 6 1HG LYS 6 14.647 1.842 -25.158 33 2HG LYS 6 2HG LYS 6 16.365 1.515 -25.270 34 1HD LYS 6 1HD LYS 6 16.211 3.516 -27.103 35 2HD LYS 6 2HD LYS 6 14.832 3.958 -26.114 36 1HE LYS 6 1HE LYS 6 16.252 3.991 -24.083 37 2HE LYS 6 2HE LYS 6 17.634 3.440 -25.009 38 1HZ LYS 6 3HZ LYS 6 16.249 5.847 -25.868 39 2HZ LYS 6 1HZ LYS 6 17.265 5.936 -24.592 40 3HZ LYS 6 2HZ LYS 6 17.821 5.442 -26.045 41 H ALA 7 H ALA 7 14.725 -2.514 -25.595 42 HA ALA 7 HA ALA 7 11.943 -2.350 -26.250 43 1HB ALA 7 3HB ALA 7 12.842 -3.272 -28.353 44 2HB ALA 7 2HB ALA 7 11.876 -4.490 -27.486 45 3HB ALA 7 1HB ALA 7 13.653 -4.569 -27.443 46 H VAL 8 H VAL 8 12.253 -2.162 -23.830 47 HA VAL 8 HA VAL 8 13.353 -3.853 -22.129 48 HB VAL 8 HB VAL 8 12.177 -2.404 -20.925 49 1HG1 VAL 8 3HG1 VAL 8 10.470 -2.284 -23.362 50 2HG1 VAL 8 1HG1 VAL 8 9.737 -1.727 -21.839 51 3HG1 VAL 8 2HG1 VAL 8 11.238 -0.977 -22.430 52 1HG2 VAL 8 1HG2 VAL 8 9.961 -4.435 -21.361 53 2HG2 VAL 8 2HG2 VAL 8 11.211 -4.468 -20.093 54 3HG2 VAL 8 3HG2 VAL 8 9.972 -3.190 -20.088 55 H LYS 9 H LYS 9 10.014 -4.480 -23.441 56 HA LYS 9 HA LYS 9 9.056 -6.384 -24.065 57 1HB LYS 9 1HB LYS 9 11.812 -7.017 -24.355 58 2HB LYS 9 2HB LYS 9 11.056 -8.389 -23.571 59 1HG LYS 9 1HG LYS 9 9.179 -8.132 -25.385 60 2HG LYS 9 2HG LYS 9 10.328 -7.120 -26.236 61 1HD LYS 9 1HD LYS 9 11.682 -9.531 -25.350 62 2HD LYS 9 2HD LYS 9 10.209 -9.985 -26.183 63 1HE LYS 9 1HE LYS 9 10.848 -8.673 -28.160 64 2HE LYS 9 2HE LYS 9 12.236 -8.005 -27.325 65 1HZ LYS 9 1HZ LYS 9 12.717 -10.568 -27.039 66 2HZ LYS 9 2HZ LYS 9 11.879 -10.635 -28.439 67 3HZ LYS 9 3HZ LYS 9 13.227 -9.720 -28.337 68 H TYR 10 H TYR 10 11.317 -6.976 -21.283 69 HA TYR 10 HA TYR 10 8.956 -7.680 -19.702 70 1HB TYR 10 1HB TYR 10 11.215 -9.287 -18.916 71 2HB TYR 10 2HB TYR 10 9.744 -9.865 -19.671 72 HD1 TYR 10 HD1 TYR 10 9.790 -10.779 -21.839 73 HD2 TYR 10 HD2 TYR 10 13.103 -8.443 -20.475 74 HE1 TYR 10 HE1 TYR 10 11.115 -11.440 -23.906 75 HE2 TYR 10 HE2 TYR 10 14.417 -9.110 -22.546 76 HH TYR 10 HH TYR 10 14.142 -11.404 -24.190 77 H TYR 11 H TYR 11 8.946 -6.721 -17.715 78 HA TYR 11 HA TYR 11 11.525 -5.817 -16.655 79 1HB TYR 11 1HB TYR 11 9.161 -4.318 -17.651 80 2HB TYR 11 2HB TYR 11 9.473 -3.938 -15.970 81 HD1 TYR 11 HD1 TYR 11 12.575 -4.347 -16.239 82 HD2 TYR 11 HD2 TYR 11 9.692 -2.103 -18.465 83 HE1 TYR 11 HE1 TYR 11 14.387 -2.710 -16.949 84 HE2 TYR 11 HE2 TYR 11 11.514 -0.475 -19.167 85 HH TYR 11 HH TYR 11 14.736 -0.674 -17.800 86 H THR 12 H THR 12 11.181 -5.012 -14.278 87 HA THR 12 HA THR 12 9.394 -6.961 -12.990 88 HB THR 12 HB THR 12 11.032 -7.013 -11.211 89 HG1 THR 12 HG1 THR 12 12.730 -5.330 -11.287 90 1HG2 THR 12 1HG2 THR 12 12.571 -6.625 -13.833 91 2HG2 THR 12 2HG2 THR 12 13.222 -7.376 -12.356 92 3HG2 THR 12 3HG2 THR 12 11.906 -8.171 -13.254 93 H LEU 13 H LEU 13 8.038 -6.356 -11.284 94 HA LEU 13 HA LEU 13 6.698 -4.022 -11.536 95 1HB LEU 13 1HB LEU 13 7.034 -6.046 -9.405 96 2HB LEU 13 2HB LEU 13 6.370 -4.507 -8.895 97 HG LEU 13 HG LEU 13 5.242 -6.378 -10.991 98 1HD1 LEU 13 1HD1 LEU 13 4.950 -6.867 -8.499 99 2HD1 LEU 13 2HD1 LEU 13 3.908 -5.425 -8.458 100 3HD1 LEU 13 3HD1 LEU 13 3.480 -6.803 -9.501 101 1HD2 LEU 13 3HD2 LEU 13 4.513 -3.536 -10.315 102 2HD2 LEU 13 1HD2 LEU 13 4.759 -4.291 -11.907 103 3HD2 LEU 13 2HD2 LEU 13 3.305 -4.676 -10.955 104 H GLU 14 H GLU 14 9.718 -4.634 -9.713 105 HA GLU 14 HA GLU 14 9.734 -2.257 -8.309 106 1HB GLU 14 1HB GLU 14 11.515 -4.474 -8.799 107 2HB GLU 14 2HB GLU 14 12.432 -2.990 -8.983 108 1HG GLU 14 1HG GLU 14 12.547 -3.605 -6.645 109 2HG GLU 14 2HG GLU 14 11.503 -2.203 -6.754 110 H GLU 15 H GLU 15 11.152 -3.126 -11.532 111 HA GLU 15 HA GLU 15 12.369 -0.719 -12.009 112 1HB GLU 15 1HB GLU 15 12.586 -2.876 -13.336 113 2HB GLU 15 2HB GLU 15 11.050 -2.509 -14.094 114 1HG GLU 15 1HG GLU 15 13.094 -0.313 -14.128 115 2HG GLU 15 2HG GLU 15 13.454 -1.715 -15.116 116 H ILE 16 H ILE 16 8.971 -1.771 -12.550 117 HA ILE 16 HA ILE 16 8.234 0.592 -13.932 118 HB ILE 16 HB ILE 16 6.461 -1.368 -12.477 119 1HG1 ILE 16 1HG1 ILE 16 6.754 -1.801 -15.342 120 2HG1 ILE 16 2HG1 ILE 16 8.285 -1.981 -14.508 121 1HG2 ILE 16 1HG2 ILE 16 5.948 0.995 -14.016 122 2HG2 ILE 16 2HG2 ILE 16 5.335 -0.423 -14.899 123 3HG2 ILE 16 3HG2 ILE 16 4.797 -0.113 -13.230 124 1HD1 ILE 16 2HD1 ILE 16 5.884 -3.246 -13.218 125 2HD1 ILE 16 3HD1 ILE 16 6.522 -4.007 -14.696 126 3HD1 ILE 16 1HD1 ILE 16 7.572 -3.808 -13.273 127 H GLN 17 H GLN 17 8.352 -0.448 -10.517 128 HA GLN 17 HA GLN 17 6.761 1.591 -9.520 129 1HB GLN 17 1HB GLN 17 7.920 -0.614 -8.454 130 2HB GLN 17 2HB GLN 17 9.057 0.584 -7.872 131 1HG GLN 17 1HG GLN 17 6.342 1.571 -7.504 132 2HG GLN 17 2HG GLN 17 6.477 -0.033 -6.810 133 1HE2 GLN 17 1HE2 GLN 17 6.040 1.407 -4.894 134 2HE2 GLN 17 2HE2 GLN 17 7.404 2.009 -4.012 135 H LYS 18 H LYS 18 10.198 1.438 -10.463 136 HA LYS 18 HA LYS 18 10.949 3.842 -9.178 137 1HB LYS 18 1HB LYS 18 12.243 2.438 -11.533 138 2HB LYS 18 2HB LYS 18 12.987 3.641 -10.499 139 1HG LYS 18 1HG LYS 18 11.786 1.213 -9.177 140 2HG LYS 18 2HG LYS 18 13.287 0.998 -10.055 141 1HD LYS 18 1HD LYS 18 12.851 3.093 -7.872 142 2HD LYS 18 2HD LYS 18 13.623 1.542 -7.613 143 1HE LYS 18 1HE LYS 18 15.595 2.229 -8.553 144 2HE LYS 18 2HE LYS 18 14.789 3.010 -9.900 145 1HZ LYS 18 2HZ LYS 18 14.247 4.443 -7.576 146 2HZ LYS 18 3HZ LYS 18 15.861 4.205 -7.660 147 3HZ LYS 18 1HZ LYS 18 15.078 4.929 -8.897 148 H HIS 19 H HIS 19 9.361 3.013 -12.237 149 HA HIS 19 HA HIS 19 9.681 5.755 -13.148 150 1HB HIS 19 1HB HIS 19 8.821 3.177 -14.435 151 2HB HIS 19 2HB HIS 19 8.372 4.706 -15.164 152 HD1 HIS 19 HD1 HIS 19 9.892 4.744 -17.183 153 HD2 HIS 19 HD2 HIS 19 11.954 3.941 -13.618 154 HE1 HIS 19 HE1 HIS 19 12.375 4.775 -17.769 155 HE2 HIS 19 HE2 HIS 19 13.593 4.330 -15.530 156 H ASN 20 H ASN 20 8.345 6.899 -11.682 157 HA ASN 20 HA ASN 20 5.540 6.490 -12.236 158 1HB ASN 20 1HB ASN 20 5.784 5.302 -10.126 159 2HB ASN 20 2HB ASN 20 6.808 6.556 -9.458 160 1HD2 ASN 20 1HD2 ASN 20 3.986 7.207 -11.428 161 2HD2 ASN 20 2HD2 ASN 20 2.977 7.889 -10.194 162 H ASN 21 H ASN 21 7.739 8.439 -12.973 163 HA ASN 21 HA ASN 21 6.811 10.787 -11.531 164 1HB ASN 21 1HB ASN 21 9.275 10.331 -13.294 165 2HB ASN 21 2HB ASN 21 8.861 11.882 -12.594 166 1HD2 ASN 21 1HD2 ASN 21 9.922 8.621 -11.991 167 2HD2 ASN 21 2HD2 ASN 21 10.485 8.834 -10.365 168 H SER 22 H SER 22 6.662 12.841 -13.016 169 HA SER 22 HA SER 22 4.884 12.288 -15.075 170 1HB SER 22 1HB SER 22 5.135 14.760 -15.579 171 2HB SER 22 2HB SER 22 4.734 14.392 -13.914 172 HG SER 22 HG SER 22 7.163 15.390 -15.018 173 H LYS 23 H LYS 23 8.283 12.026 -14.945 174 HA LYS 23 HA LYS 23 8.500 12.437 -17.844 175 1HB LYS 23 1HB LYS 23 9.931 13.788 -16.124 176 2HB LYS 23 2HB LYS 23 10.855 12.308 -15.975 177 1HG LYS 23 1HG LYS 23 10.569 12.562 -18.745 178 2HG LYS 23 2HG LYS 23 10.732 14.228 -18.226 179 1HD LYS 23 1HD LYS 23 12.676 12.764 -16.736 180 2HD LYS 23 2HD LYS 23 12.770 12.145 -18.372 181 1HE LYS 23 1HE LYS 23 13.125 14.386 -19.282 182 2HE LYS 23 2HE LYS 23 12.777 15.131 -17.734 183 1HZ LYS 23 1HZ LYS 23 14.719 13.647 -16.958 184 2HZ LYS 23 2HZ LYS 23 15.134 13.635 -18.537 185 3HZ LYS 23 3HZ LYS 23 15.034 15.052 -17.731 186 H SER 24 H SER 24 8.172 10.119 -15.373 187 HA SER 24 HA SER 24 8.991 8.091 -17.253 188 1HB SER 24 1HB SER 24 10.500 8.760 -14.866 189 2HB SER 24 2HB SER 24 9.833 7.149 -14.685 190 HG SER 24 HG SER 24 11.120 7.884 -17.145 191 H THR 25 H THR 25 6.544 8.095 -17.329 192 HA THR 25 HA THR 25 5.326 6.913 -14.939 193 HB THR 25 HB THR 25 3.611 7.614 -17.254 194 HG1 THR 25 HG1 THR 25 5.139 9.630 -15.776 195 1HG2 THR 25 2HG2 THR 25 3.719 7.993 -14.290 196 2HG2 THR 25 3HG2 THR 25 2.999 9.347 -15.194 197 3HG2 THR 25 1HG2 THR 25 2.310 7.712 -15.343 198 H TRP 26 H TRP 26 5.516 4.759 -14.824 199 HA TRP 26 HA TRP 26 4.847 3.283 -17.274 200 1HB TRP 26 1HB TRP 26 7.264 3.117 -15.598 201 2HB TRP 26 2HB TRP 26 6.509 1.576 -15.949 202 HD1 TRP 26 HD1 TRP 26 7.192 0.530 -18.251 203 HE1 TRP 26 HE1 TRP 26 8.356 1.291 -20.493 204 HE3 TRP 26 HE3 TRP 26 7.411 5.472 -17.075 205 HZ2 TRP 26 HZ2 TRP 26 9.219 3.818 -21.500 206 HZ3 TRP 26 HZ3 TRP 26 8.431 7.018 -18.743 207 HH2 TRP 26 HH2 TRP 26 9.316 6.263 -20.892 208 H LEU 27 H LEU 27 3.535 1.419 -16.912 209 HA LEU 27 HA LEU 27 2.928 0.659 -14.208 210 1HB LEU 27 1HB LEU 27 0.797 1.399 -14.012 211 2HB LEU 27 2HB LEU 27 1.516 2.740 -14.882 212 HG LEU 27 HG LEU 27 -0.476 2.454 -16.002 213 1HD1 LEU 27 3HD1 LEU 27 1.785 1.946 -17.404 214 2HD1 LEU 27 1HD1 LEU 27 0.830 0.494 -17.788 215 3HD1 LEU 27 2HD1 LEU 27 0.168 2.111 -18.131 216 1HD2 LEU 27 2HD2 LEU 27 -0.462 -0.111 -14.844 217 2HD2 LEU 27 3HD2 LEU 27 -1.784 0.684 -15.730 218 3HD2 LEU 27 1HD2 LEU 27 -0.633 -0.360 -16.598 219 H ILE 28 H ILE 28 1.086 -1.132 -14.344 220 HA ILE 28 HA ILE 28 1.700 -2.714 -16.744 221 HB ILE 28 HB ILE 28 0.840 -4.089 -14.276 222 1HG1 ILE 28 1HG1 ILE 28 2.391 -2.291 -13.448 223 2HG1 ILE 28 2HG1 ILE 28 2.905 -3.934 -13.120 224 1HG2 ILE 28 1HG2 ILE 28 2.939 -4.594 -16.400 225 2HG2 ILE 28 2HG2 ILE 28 2.608 -5.673 -15.024 226 3HG2 ILE 28 3HG2 ILE 28 1.346 -5.372 -16.243 227 1HD1 ILE 28 3HD1 ILE 28 3.847 -2.614 -15.668 228 2HD1 ILE 28 1HD1 ILE 28 4.615 -2.167 -14.126 229 3HD1 ILE 28 2HD1 ILE 28 4.650 -3.858 -14.681 230 H LEU 29 H LEU 29 0.004 -3.604 -17.897 231 HA LEU 29 HA LEU 29 -2.665 -3.198 -16.757 232 1HB LEU 29 1HB LEU 29 -1.582 -1.638 -18.773 233 2HB LEU 29 2HB LEU 29 -2.526 -2.826 -19.648 234 HG LEU 29 HG LEU 29 -3.425 -0.684 -17.767 235 1HD1 LEU 29 1HD1 LEU 29 -3.471 -0.447 -20.258 236 2HD1 LEU 29 2HD1 LEU 29 -4.677 -1.755 -20.306 237 3HD1 LEU 29 3HD1 LEU 29 -5.049 -0.234 -19.461 238 1HD2 LEU 29 3HD2 LEU 29 -4.393 -3.409 -17.633 239 2HD2 LEU 29 1HD2 LEU 29 -4.802 -1.999 -16.625 240 3HD2 LEU 29 2HD2 LEU 29 -5.683 -2.292 -18.143 241 H HIS 30 H HIS 30 -3.780 -5.070 -16.686 242 HA HIS 30 HA HIS 30 -4.506 -7.078 -17.208 243 1HB HIS 30 1HB HIS 30 -4.430 -6.061 -19.591 244 2HB HIS 30 2HB HIS 30 -3.000 -7.048 -19.820 245 HD1 HIS 30 HD1 HIS 30 -3.331 -9.691 -19.731 246 HD2 HIS 30 HD2 HIS 30 -6.865 -7.430 -19.680 247 HE1 HIS 30 HE1 HIS 30 -5.227 -11.313 -20.266 248 HE2 HIS 30 HE2 HIS 30 -7.378 -9.877 -20.167 249 H TYR 31 H TYR 31 -1.071 -6.608 -18.271 250 HA TYR 31 HA TYR 31 0.033 -8.165 -16.293 251 1HB TYR 31 1HB TYR 31 -0.390 -10.321 -17.049 252 2HB TYR 31 2HB TYR 31 -1.383 -9.651 -18.330 253 HD1 TYR 31 HD1 TYR 31 2.217 -10.313 -17.512 254 HD2 TYR 31 HD2 TYR 31 -0.782 -10.032 -20.549 255 HE1 TYR 31 HE1 TYR 31 3.886 -11.138 -19.245 256 HE2 TYR 31 HE2 TYR 31 0.896 -10.856 -22.273 257 HH TYR 31 HH TYR 31 2.955 -11.391 -22.662 258 H LYS 32 H LYS 32 0.035 -6.399 -19.213 259 HA LYS 32 HA LYS 32 2.908 -6.797 -19.588 260 1HB LYS 32 1HB LYS 32 2.329 -5.304 -21.671 261 2HB LYS 32 2HB LYS 32 1.985 -7.022 -21.672 262 1HG LYS 32 1HG LYS 32 -0.149 -5.186 -20.599 263 2HG LYS 32 2HG LYS 32 0.120 -5.182 -22.331 264 1HD LYS 32 1HD LYS 32 0.003 -7.805 -22.131 265 2HD LYS 32 2HD LYS 32 -0.730 -7.504 -20.568 266 1HE LYS 32 1HE LYS 32 -2.508 -6.133 -21.631 267 2HE LYS 32 2HE LYS 32 -1.753 -6.334 -23.200 268 1HZ LYS 32 2HZ LYS 32 -2.046 -8.857 -22.207 269 2HZ LYS 32 3HZ LYS 32 -3.445 -8.105 -21.826 270 3HZ LYS 32 1HZ LYS 32 -2.944 -8.160 -23.379 271 H VAL 33 H VAL 33 4.078 -4.628 -20.237 272 HA VAL 33 HA VAL 33 3.290 -2.664 -18.200 273 HB VAL 33 HB VAL 33 6.011 -3.233 -19.394 274 1HG1 VAL 33 1HG1 VAL 33 5.153 -1.431 -17.107 275 2HG1 VAL 33 2HG1 VAL 33 6.838 -1.808 -17.538 276 3HG1 VAL 33 3HG1 VAL 33 5.804 -0.920 -18.682 277 1HG2 VAL 33 2HG2 VAL 33 4.785 -4.947 -17.762 278 2HG2 VAL 33 3HG2 VAL 33 6.525 -4.597 -17.626 279 3HG2 VAL 33 1HG2 VAL 33 5.369 -3.802 -16.530 280 H TYR 34 H TYR 34 2.903 -0.559 -18.804 281 HA TYR 34 HA TYR 34 3.356 0.047 -21.648 282 1HB TYR 34 1HB TYR 34 1.156 0.964 -19.693 283 2HB TYR 34 2HB TYR 34 1.219 1.377 -21.396 284 HD1 TYR 34 HD1 TYR 34 0.178 0.003 -23.002 285 HD2 TYR 34 HD2 TYR 34 0.903 -1.533 -19.075 286 HE1 TYR 34 HE1 TYR 34 -1.204 -2.060 -23.545 287 HE2 TYR 34 HE2 TYR 34 -0.481 -3.591 -19.633 288 HH TYR 34 HH TYR 34 -2.605 -3.804 -21.783 289 H ASP 35 H ASP 35 3.695 2.353 -22.146 290 HA ASP 35 HA ASP 35 5.180 3.565 -19.989 291 1HB ASP 35 1HB ASP 35 5.787 5.208 -21.935 292 2HB ASP 35 2HB ASP 35 6.461 3.591 -21.963 293 H LEU 36 H LEU 36 3.439 4.471 -18.700 294 HA LEU 36 HA LEU 36 1.258 5.830 -19.779 295 1HB LEU 36 1HB LEU 36 2.583 5.799 -17.080 296 2HB LEU 36 2HB LEU 36 1.210 6.837 -17.409 297 HG LEU 36 HG LEU 36 1.338 3.844 -17.249 298 1HD1 LEU 36 3HD1 LEU 36 0.275 5.976 -15.673 299 2HD1 LEU 36 1HD1 LEU 36 -1.074 4.965 -16.244 300 3HD1 LEU 36 2HD1 LEU 36 0.273 4.226 -15.343 301 1HD2 LEU 36 1HD2 LEU 36 -0.487 5.441 -19.006 302 2HD2 LEU 36 2HD2 LEU 36 0.265 3.850 -19.279 303 3HD2 LEU 36 3HD2 LEU 36 -1.118 4.003 -18.168 304 H THR 37 H THR 37 4.617 6.766 -19.219 305 HA THR 37 HA THR 37 4.307 9.532 -19.102 306 HB THR 37 HB THR 37 6.402 7.529 -19.384 307 HG1 THR 37 HG1 THR 37 7.498 9.524 -18.441 308 1HG2 THR 37 1HG2 THR 37 6.724 10.118 -20.993 309 2HG2 THR 37 2HG2 THR 37 8.047 9.011 -20.558 310 3HG2 THR 37 3HG2 THR 37 6.763 8.471 -21.666 311 H LYS 38 H LYS 38 4.019 7.278 -21.811 312 HA LYS 38 HA LYS 38 4.118 9.466 -23.709 313 1HB LYS 38 1HB LYS 38 4.546 6.616 -23.773 314 2HB LYS 38 2HB LYS 38 3.323 7.044 -24.953 315 1HG LYS 38 1HG LYS 38 4.895 8.924 -25.737 316 2HG LYS 38 2HG LYS 38 6.128 8.217 -24.712 317 1HD LYS 38 1HD LYS 38 6.556 6.556 -26.208 318 2HD LYS 38 2HD LYS 38 4.856 6.157 -26.365 319 1HE LYS 38 1HE LYS 38 4.776 8.421 -27.790 320 2HE LYS 38 2HE LYS 38 6.497 8.134 -27.962 321 1HZ LYS 38 2HZ LYS 38 4.516 6.051 -28.531 322 2HZ LYS 38 3HZ LYS 38 5.019 7.108 -29.669 323 3HZ LYS 38 1HZ LYS 38 6.088 6.088 -28.974 324 H PHE 39 H PHE 39 1.850 7.863 -21.660 325 HA PHE 39 HA PHE 39 -0.337 8.914 -23.317 326 1HB PHE 39 1HB PHE 39 -0.081 6.350 -22.911 327 2HB PHE 39 2HB PHE 39 -0.356 6.674 -21.210 328 HD1 PHE 39 HD1 PHE 39 -2.380 5.528 -20.871 329 HD2 PHE 39 HD2 PHE 39 -2.075 8.315 -24.056 330 HE1 PHE 39 HE1 PHE 39 -4.859 5.375 -21.243 331 HE2 PHE 39 HE2 PHE 39 -4.553 8.161 -24.429 332 HZ PHE 39 HZ PHE 39 -5.915 6.693 -23.017 333 H LEU 40 H LEU 40 1.047 10.660 -21.603 334 HA LEU 40 HA LEU 40 -0.484 10.724 -19.136 335 1HB LEU 40 1HB LEU 40 2.022 11.947 -20.152 336 2HB LEU 40 2HB LEU 40 1.095 12.888 -18.999 337 HG LEU 40 HG LEU 40 2.368 10.178 -18.608 338 1HD1 LEU 40 2HD1 LEU 40 3.377 12.665 -18.204 339 2HD1 LEU 40 3HD1 LEU 40 2.664 12.330 -16.607 340 3HD1 LEU 40 1HD1 LEU 40 3.869 11.215 -17.295 341 1HD2 LEU 40 2HD2 LEU 40 0.011 11.330 -17.224 342 2HD2 LEU 40 3HD2 LEU 40 0.508 9.636 -17.449 343 3HD2 LEU 40 1HD2 LEU 40 1.279 10.629 -16.190 344 H GLU 41 H GLU 41 0.151 12.736 -22.079 345 HA GLU 41 HA GLU 41 -1.435 14.838 -21.440 346 1HB GLU 41 1HB GLU 41 0.080 14.238 -23.562 347 2HB GLU 41 2HB GLU 41 -1.463 13.804 -24.272 348 1HG GLU 41 1HG GLU 41 -2.335 16.017 -24.040 349 2HG GLU 41 2HG GLU 41 -1.126 16.469 -22.855 350 H GLU 42 H GLU 42 -2.429 11.975 -23.464 351 HA GLU 42 HA GLU 42 -5.053 12.638 -23.679 352 1HB GLU 42 1HB GLU 42 -3.718 9.906 -23.523 353 2HB GLU 42 2HB GLU 42 -5.406 10.110 -23.944 354 1HG GLU 42 1HG GLU 42 -3.333 11.730 -25.436 355 2HG GLU 42 2HG GLU 42 -3.522 10.035 -25.836 356 H HIS 43 H HIS 43 -6.711 10.650 -22.651 357 HA HIS 43 HA HIS 43 -7.628 9.795 -20.809 358 1HB HIS 43 1HB HIS 43 -5.032 10.184 -19.881 359 2HB HIS 43 2HB HIS 43 -6.016 11.059 -18.724 360 HD1 HIS 43 HD1 HIS 43 -4.594 7.864 -19.106 361 HD2 HIS 43 HD2 HIS 43 -8.420 9.183 -18.001 362 HE1 HIS 43 HE1 HIS 43 -5.681 5.929 -17.846 363 HE2 HIS 43 HE2 HIS 43 -8.009 6.819 -17.146 364 HA PRO 44 HA PRO 44 -9.991 13.418 -20.234 365 1HB PRO 44 1HB PRO 44 -12.300 12.213 -19.407 366 2HB PRO 44 2HB PRO 44 -11.879 12.425 -21.095 367 1HG PRO 44 1HG PRO 44 -11.792 9.963 -19.459 368 2HG PRO 44 2HG PRO 44 -11.793 10.123 -21.203 369 1HD PRO 44 1HD PRO 44 -9.537 9.529 -19.537 370 2HD PRO 44 2HD PRO 44 -9.518 9.803 -21.267 371 H GLY 45 H GLY 45 -8.633 11.502 -17.973 372 1HA GLY 45 2HA GLY 45 -8.863 11.465 -15.650 373 2HA GLY 45 1HA GLY 45 -9.946 12.843 -15.719 374 H GLY 46 H GLY 46 -6.559 12.068 -16.820 375 1HA GLY 46 2HA GLY 46 -5.587 14.358 -15.277 376 2HA GLY 46 1HA GLY 46 -5.347 14.387 -17.012 377 H GLU 47 H GLU 47 -3.012 14.328 -16.656 378 HA GLU 47 HA GLU 47 -1.815 12.026 -17.124 379 1HB GLU 47 1HB GLU 47 -0.686 14.230 -15.345 380 2HB GLU 47 2HB GLU 47 0.269 13.023 -16.182 381 1HG GLU 47 1HG GLU 47 0.354 14.499 -17.914 382 2HG GLU 47 2HG GLU 47 -1.307 14.040 -18.241 383 H GLU 48 H GLU 48 -2.510 13.337 -13.820 384 HA GLU 48 HA GLU 48 -1.247 11.511 -12.315 385 1HB GLU 48 1HB GLU 48 -3.201 13.492 -11.918 386 2HB GLU 48 2HB GLU 48 -3.946 12.040 -11.278 387 1HG GLU 48 1HG GLU 48 -1.978 11.619 -9.837 388 2HG GLU 48 2HG GLU 48 -1.139 12.991 -10.535 389 H VAL 49 H VAL 49 -4.615 11.210 -13.645 390 HA VAL 49 HA VAL 49 -5.436 8.889 -12.648 391 HB VAL 49 HB VAL 49 -6.452 10.405 -14.431 392 1HG1 VAL 49 1HG1 VAL 49 -4.358 9.543 -15.981 393 2HG1 VAL 49 2HG1 VAL 49 -5.687 8.505 -16.550 394 3HG1 VAL 49 3HG1 VAL 49 -5.857 10.277 -16.598 395 1HG2 VAL 49 3HG2 VAL 49 -6.736 7.397 -14.403 396 2HG2 VAL 49 1HG2 VAL 49 -7.782 8.629 -13.656 397 3HG2 VAL 49 2HG2 VAL 49 -7.768 8.426 -15.425 398 H LEU 50 H LEU 50 -2.690 9.353 -14.844 399 HA LEU 50 HA LEU 50 -2.364 6.441 -14.964 400 1HB LEU 50 1HB LEU 50 -0.983 8.537 -16.637 401 2HB LEU 50 2HB LEU 50 -0.963 6.801 -16.871 402 HG LEU 50 HG LEU 50 -3.693 7.703 -16.892 403 1HD1 LEU 50 2HD1 LEU 50 -1.779 9.525 -18.179 404 2HD1 LEU 50 3HD1 LEU 50 -3.079 8.948 -19.250 405 3HD1 LEU 50 1HD1 LEU 50 -3.484 9.770 -17.725 406 1HD2 LEU 50 3HD2 LEU 50 -2.179 5.771 -18.097 407 2HD2 LEU 50 1HD2 LEU 50 -3.845 6.203 -18.548 408 3HD2 LEU 50 2HD2 LEU 50 -2.474 6.898 -19.443 409 H ARG 51 H ARG 51 -0.776 9.559 -14.120 410 HA ARG 51 HA ARG 51 1.651 8.422 -13.426 411 1HB ARG 51 1HB ARG 51 0.691 10.980 -13.645 412 2HB ARG 51 2HB ARG 51 0.715 10.832 -11.900 413 1HG ARG 51 1HG ARG 51 3.182 9.718 -12.854 414 2HG ARG 51 2HG ARG 51 2.947 11.226 -13.712 415 1HD ARG 51 1HD ARG 51 2.615 11.031 -10.688 416 2HD ARG 51 2HD ARG 51 4.169 11.356 -11.429 417 HE ARG 51 HE ARG 51 2.461 13.207 -12.621 418 1HH1 ARG 51 2HH1 ARG 51 2.125 15.329 -11.845 419 2HH1 ARG 51 1HH1 ARG 51 2.390 15.692 -10.173 420 1HH2 ARG 51 2HH2 ARG 51 3.342 12.412 -9.307 421 2HH2 ARG 51 1HH2 ARG 51 3.087 14.021 -8.719 422 H GLU 52 H GLU 52 -1.267 9.328 -11.464 423 HA GLU 52 HA GLU 52 -0.253 8.674 -9.009 424 1HB GLU 52 1HB GLU 52 -2.832 9.289 -10.171 425 2HB GLU 52 2HB GLU 52 -3.029 7.963 -9.042 426 1HG GLU 52 1HG GLU 52 -1.402 10.406 -8.263 427 2HG GLU 52 2HG GLU 52 -3.151 10.438 -8.148 428 H GLN 53 H GLN 53 -1.093 6.617 -11.693 429 HA GLN 53 HA GLN 53 -1.238 4.319 -9.923 430 1HB GLN 53 1HB GLN 53 -2.101 3.097 -11.888 431 2HB GLN 53 2HB GLN 53 -3.052 4.535 -11.581 432 1HG GLN 53 1HG GLN 53 -1.930 5.757 -13.371 433 2HG GLN 53 2HG GLN 53 -0.743 4.485 -13.572 434 1HE2 GLN 53 1HE2 GLN 53 -3.995 5.529 -14.148 435 2HE2 GLN 53 2HE2 GLN 53 -4.479 4.285 -15.250 436 H ALA 54 H ALA 54 0.736 5.951 -12.367 437 HA ALA 54 HA ALA 54 2.329 3.885 -13.234 438 1HB ALA 54 1HB ALA 54 2.716 6.848 -12.804 439 2HB ALA 54 2HB ALA 54 4.076 5.839 -13.351 440 3HB ALA 54 3HB ALA 54 2.593 5.935 -14.327 441 H GLY 55 H GLY 55 3.899 2.618 -12.331 442 1HA GLY 55 2HA GLY 55 4.735 3.321 -9.580 443 2HA GLY 55 1HA GLY 55 5.846 2.707 -10.788 444 H GLY 56 H GLY 56 3.281 1.055 -11.779 445 1HA GLY 56 2HA GLY 56 2.943 -0.865 -9.655 446 2HA GLY 56 1HA GLY 56 3.987 -1.423 -10.945 447 H ASP 57 H ASP 57 1.756 -2.894 -10.650 448 HA ASP 57 HA ASP 57 0.517 -2.623 -13.112 449 1HB ASP 57 1HB ASP 57 0.346 -4.803 -12.390 450 2HB ASP 57 2HB ASP 57 0.274 -4.345 -10.701 451 H ALA 58 H ALA 58 -1.406 -1.545 -13.707 452 HA ALA 58 HA ALA 58 -2.842 -0.208 -11.517 453 1HB ALA 58 3HB ALA 58 -1.521 0.969 -13.576 454 2HB ALA 58 1HB ALA 58 -3.118 0.741 -14.329 455 3HB ALA 58 2HB ALA 58 -2.973 1.669 -12.818 456 H THR 59 H THR 59 -2.940 -2.662 -13.941 457 HA THR 59 HA THR 59 -5.472 -2.607 -14.936 458 HB THR 59 HB THR 59 -3.352 -4.335 -14.975 459 HG1 THR 59 HG1 THR 59 -5.326 -5.793 -15.832 460 1HG2 THR 59 2HG2 THR 59 -5.580 -5.660 -13.339 461 2HG2 THR 59 3HG2 THR 59 -4.274 -6.545 -14.167 462 3HG2 THR 59 1HG2 THR 59 -3.889 -5.440 -12.825 463 H GLU 60 H GLU 60 -4.498 -4.003 -11.735 464 HA GLU 60 HA GLU 60 -6.849 -4.945 -10.925 465 1HB GLU 60 1HB GLU 60 -6.126 -4.305 -8.581 466 2HB GLU 60 2HB GLU 60 -4.905 -5.141 -9.520 467 1HG GLU 60 1HG GLU 60 -3.487 -3.406 -9.191 468 2HG GLU 60 2HG GLU 60 -4.565 -2.368 -10.103 469 H ASN 61 H ASN 61 -6.001 -1.554 -11.440 470 HA ASN 61 HA ASN 61 -8.448 -0.739 -10.123 471 1HB ASN 61 1HB ASN 61 -5.875 0.424 -10.338 472 2HB ASN 61 2HB ASN 61 -6.860 1.390 -11.417 473 1HD2 ASN 61 1HD2 ASN 61 -6.178 0.479 -8.168 474 2HD2 ASN 61 2HD2 ASN 61 -7.247 1.569 -7.350 475 H PHE 62 H PHE 62 -6.583 -0.295 -13.226 476 HA PHE 62 HA PHE 62 -8.466 1.056 -14.667 477 1HB PHE 62 1HB PHE 62 -6.569 0.782 -15.978 478 2HB PHE 62 2HB PHE 62 -6.070 -0.613 -15.042 479 HD1 PHE 62 HD1 PHE 62 -7.390 -2.836 -15.573 480 HD2 PHE 62 HD2 PHE 62 -7.133 0.486 -18.201 481 HE1 PHE 62 HE1 PHE 62 -7.930 -4.331 -17.516 482 HE2 PHE 62 HE2 PHE 62 -7.673 -1.009 -20.144 483 HZ PHE 62 HZ PHE 62 -8.065 -3.400 -19.778 484 H GLU 63 H GLU 63 -8.631 -2.201 -13.459 485 HA GLU 63 HA GLU 63 -10.406 -3.090 -15.511 486 1HB GLU 63 1HB GLU 63 -9.040 -4.258 -13.147 487 2HB GLU 63 2HB GLU 63 -10.631 -4.926 -13.452 488 1HG GLU 63 1HG GLU 63 -9.199 -4.655 -15.974 489 2HG GLU 63 2HG GLU 63 -8.198 -5.523 -14.826 490 H ASP 64 H ASP 64 -10.569 -1.672 -12.247 491 HA ASP 64 HA ASP 64 -13.256 -2.343 -11.810 492 1HB ASP 64 1HB ASP 64 -12.103 -1.783 -9.848 493 2HB ASP 64 2HB ASP 64 -11.238 -0.462 -10.605 494 H VAL 65 H VAL 65 -11.477 0.284 -13.438 495 HA VAL 65 HA VAL 65 -13.800 1.983 -13.619 496 HB VAL 65 HB VAL 65 -12.038 3.357 -13.524 497 1HG1 VAL 65 3HG1 VAL 65 -10.388 1.113 -14.712 498 2HG1 VAL 65 1HG1 VAL 65 -9.729 2.737 -14.398 499 3HG1 VAL 65 2HG1 VAL 65 -10.353 1.754 -13.052 500 1HG2 VAL 65 3HG2 VAL 65 -12.966 3.768 -15.764 501 2HG2 VAL 65 1HG2 VAL 65 -11.221 4.108 -15.712 502 3HG2 VAL 65 2HG2 VAL 65 -11.812 2.604 -16.458 503 H GLY 66 H GLY 66 -13.074 -0.913 -14.981 504 1HA GLY 66 2HA GLY 66 -14.932 -1.137 -16.832 505 2HA GLY 66 1HA GLY 66 -13.347 -1.851 -17.050 506 H HIS 67 H HIS 67 -11.630 -0.508 -18.147 507 HA HIS 67 HA HIS 67 -12.359 1.855 -19.478 508 1HB HIS 67 1HB HIS 67 -10.055 -0.074 -19.678 509 2HB HIS 67 2HB HIS 67 -10.219 1.236 -20.829 510 HD1 HIS 67 HD1 HIS 67 -9.498 0.552 -17.192 511 HD2 HIS 67 HD2 HIS 67 -9.687 3.818 -19.817 512 HE1 HIS 67 HE1 HIS 67 -8.460 2.527 -15.953 513 HE2 HIS 67 HE2 HIS 67 -8.555 4.491 -17.635 514 H SER 68 H SER 68 -11.761 1.770 -22.096 515 HA SER 68 HA SER 68 -13.793 -0.053 -23.092 516 1HB SER 68 1HB SER 68 -14.255 1.511 -24.784 517 2HB SER 68 2HB SER 68 -13.881 2.535 -23.413 518 HG SER 68 HG SER 68 -12.315 3.391 -24.578 519 H THR 69 H THR 69 -13.394 -1.147 -25.206 520 HA THR 69 HA THR 69 -10.933 -2.436 -25.288 521 HB THR 69 HB THR 69 -13.312 -2.105 -27.146 522 HG1 THR 69 HG1 THR 69 -11.881 -4.229 -25.711 523 1HG2 THR 69 1HG2 THR 69 -10.686 -3.567 -27.694 524 2HG2 THR 69 2HG2 THR 69 -12.224 -4.064 -28.439 525 3HG2 THR 69 3HG2 THR 69 -11.552 -2.451 -28.777 526 H ASP 70 H ASP 70 -11.851 0.726 -26.441 527 HA ASP 70 HA ASP 70 -9.859 0.842 -28.437 528 1HB ASP 70 1HB ASP 70 -11.921 2.282 -28.378 529 2HB ASP 70 2HB ASP 70 -11.307 3.082 -26.946 530 H ALA 71 H ALA 71 -10.273 2.029 -25.030 531 HA ALA 71 HA ALA 71 -7.886 3.423 -24.818 532 1HB ALA 71 3HB ALA 71 -8.235 2.832 -22.312 533 2HB ALA 71 1HB ALA 71 -9.509 3.759 -23.142 534 3HB ALA 71 2HB ALA 71 -9.716 2.013 -22.863 535 H ARG 72 H ARG 72 -8.670 -0.061 -24.291 536 HA ARG 72 HA ARG 72 -6.162 -0.712 -23.305 537 1HB ARG 72 1HB ARG 72 -8.050 -2.538 -24.872 538 2HB ARG 72 2HB ARG 72 -6.837 -3.045 -23.713 539 1HG ARG 72 1HG ARG 72 -8.057 -1.819 -21.901 540 2HG ARG 72 2HG ARG 72 -9.270 -1.314 -23.060 541 1HD ARG 72 1HD ARG 72 -10.136 -3.506 -23.318 542 2HD ARG 72 2HD ARG 72 -8.655 -4.268 -22.773 543 HE ARG 72 HE ARG 72 -9.672 -2.694 -20.619 544 1HH1 ARG 72 2HH1 ARG 72 -10.810 -3.661 -18.890 545 2HH1 ARG 72 1HH1 ARG 72 -11.541 -5.218 -19.096 546 1HH2 ARG 72 2HH2 ARG 72 -10.501 -5.588 -22.442 547 2HH2 ARG 72 1HH2 ARG 72 -11.363 -6.322 -21.131 548 H GLU 73 H GLU 73 -7.618 -0.906 -26.624 549 HA GLU 73 HA GLU 73 -5.455 -2.073 -27.854 550 1HB GLU 73 1HB GLU 73 -7.970 -0.969 -28.610 551 2HB GLU 73 2HB GLU 73 -6.779 -0.181 -29.625 552 1HG GLU 73 1HG GLU 73 -6.840 -2.047 -30.924 553 2HG GLU 73 2HG GLU 73 -5.924 -2.839 -29.658 554 H LEU 74 H LEU 74 -6.197 1.376 -27.143 555 HA LEU 74 HA LEU 74 -4.108 2.462 -28.657 556 1HB LEU 74 1HB LEU 74 -5.060 4.347 -28.038 557 2HB LEU 74 2HB LEU 74 -6.230 3.389 -27.152 558 HG LEU 74 HG LEU 74 -4.281 3.528 -25.285 559 1HD1 LEU 74 1HD1 LEU 74 -3.890 5.892 -27.097 560 2HD1 LEU 74 2HD1 LEU 74 -3.612 6.042 -25.346 561 3HD1 LEU 74 3HD1 LEU 74 -2.682 4.858 -26.297 562 1HD2 LEU 74 1HD2 LEU 74 -6.811 4.821 -25.805 563 2HD2 LEU 74 2HD2 LEU 74 -6.099 4.290 -24.263 564 3HD2 LEU 74 3HD2 LEU 74 -5.723 5.907 -24.906 565 H SER 75 H SER 75 -4.305 1.152 -25.322 566 HA SER 75 HA SER 75 -1.879 2.091 -24.439 567 1HB SER 75 1HB SER 75 -2.117 0.557 -22.654 568 2HB SER 75 2HB SER 75 -3.768 0.870 -23.156 569 HG SER 75 HG SER 75 -3.378 -1.409 -22.862 570 H LYS 76 H LYS 76 -2.697 -0.459 -26.731 571 HA LYS 76 HA LYS 76 -0.429 -2.048 -26.515 572 1HB LYS 76 1HB LYS 76 -1.298 -3.150 -28.282 573 2HB LYS 76 2HB LYS 76 -2.714 -2.183 -27.923 574 1HG LYS 76 1HG LYS 76 -1.924 -0.448 -29.567 575 2HG LYS 76 2HG LYS 76 -0.545 -1.458 -29.950 576 1HD LYS 76 1HD LYS 76 -3.294 -2.689 -30.141 577 2HD LYS 76 2HD LYS 76 -2.809 -1.563 -31.394 578 1HE LYS 76 1HE LYS 76 -0.998 -2.928 -32.107 579 2HE LYS 76 2HE LYS 76 -0.925 -3.799 -30.588 580 1HZ LYS 76 3HZ LYS 76 -3.258 -3.963 -32.352 581 2HZ LYS 76 1HZ LYS 76 -1.984 -4.973 -32.500 582 3HZ LYS 76 2HZ LYS 76 -2.859 -4.959 -31.121 583 H THR 77 H THR 77 -0.727 1.252 -27.384 584 HA THR 77 HA THR 77 1.605 1.213 -29.124 585 HB THR 77 HB THR 77 0.948 3.457 -29.633 586 HG1 THR 77 HG1 THR 77 0.285 4.667 -27.899 587 1HG2 THR 77 2HG2 THR 77 -1.301 1.555 -29.183 588 2HG2 THR 77 3HG2 THR 77 -1.782 3.269 -29.155 589 3HG2 THR 77 1HG2 THR 77 -0.967 2.595 -30.588 590 H PHE 78 H PHE 78 0.697 1.881 -25.766 591 HA PHE 78 HA PHE 78 3.246 3.147 -25.262 592 1HB PHE 78 1HB PHE 78 1.034 2.182 -23.357 593 2HB PHE 78 2HB PHE 78 2.248 3.392 -22.995 594 HD1 PHE 78 HD1 PHE 78 -0.992 3.306 -23.182 595 HD2 PHE 78 HD2 PHE 78 2.147 5.076 -25.422 596 HE1 PHE 78 HE1 PHE 78 -2.559 5.110 -23.952 597 HE2 PHE 78 HE2 PHE 78 0.581 6.880 -26.192 598 HZ PHE 78 HZ PHE 78 -1.754 6.875 -25.449 599 H ILE 79 H ILE 79 1.846 -0.047 -25.273 600 HA ILE 79 HA ILE 79 3.034 -1.344 -23.224 601 HB ILE 79 HB ILE 79 2.217 -2.042 -25.976 602 1HG1 ILE 79 1HG1 ILE 79 1.521 -2.764 -23.163 603 2HG1 ILE 79 2HG1 ILE 79 0.482 -2.295 -24.494 604 1HG2 ILE 79 1HG2 ILE 79 4.418 -3.128 -25.852 605 2HG2 ILE 79 2HG2 ILE 79 3.932 -3.932 -24.340 606 3HG2 ILE 79 3HG2 ILE 79 3.087 -4.311 -25.861 607 1HD1 ILE 79 1HD1 ILE 79 1.150 -4.541 -25.608 608 2HD1 ILE 79 2HD1 ILE 79 1.802 -4.991 -24.014 609 3HD1 ILE 79 3HD1 ILE 79 0.070 -4.625 -24.195 610 H ILE 80 H ILE 80 5.061 -1.157 -22.436 611 HA ILE 80 HA ILE 80 7.218 -0.738 -24.355 612 HB ILE 80 HB ILE 80 8.531 -0.131 -22.364 613 1HG1 ILE 80 1HG1 ILE 80 6.620 0.352 -20.399 614 2HG1 ILE 80 2HG1 ILE 80 6.214 -1.251 -20.980 615 1HG2 ILE 80 1HG2 ILE 80 6.863 1.402 -23.757 616 2HG2 ILE 80 2HG2 ILE 80 6.073 1.543 -22.169 617 3HG2 ILE 80 3HG2 ILE 80 7.779 2.016 -22.361 618 1HD1 ILE 80 2HD1 ILE 80 9.090 -0.507 -20.341 619 2HD1 ILE 80 3HD1 ILE 80 7.972 -1.071 -19.076 620 3HD1 ILE 80 1HD1 ILE 80 8.364 -2.128 -20.454 621 H GLY 81 H GLY 81 5.846 -3.068 -22.063 622 1HA GLY 81 2HA GLY 81 8.037 -4.723 -21.644 623 2HA GLY 81 1HA GLY 81 7.333 -5.205 -23.175 624 H GLU 82 H GLU 82 7.426 -6.489 -20.371 625 HA GLU 82 HA GLU 82 4.661 -6.492 -19.635 626 1HB GLU 82 1HB GLU 82 5.755 -9.216 -20.290 627 2HB GLU 82 2HB GLU 82 4.092 -8.667 -20.260 628 1HG GLU 82 1HG GLU 82 4.433 -7.378 -22.341 629 2HG GLU 82 2HG GLU 82 6.140 -7.781 -22.347 630 H LEU 83 H LEU 83 4.298 -7.563 -17.552 631 HA LEU 83 HA LEU 83 6.475 -7.269 -15.814 632 1HB LEU 83 1HB LEU 83 3.912 -7.124 -15.437 633 2HB LEU 83 2HB LEU 83 4.008 -8.854 -15.177 634 HG LEU 83 HG LEU 83 4.325 -8.309 -13.031 635 1HD1 LEU 83 3HD1 LEU 83 6.554 -9.136 -13.744 636 2HD1 LEU 83 1HD1 LEU 83 7.087 -7.449 -13.932 637 3HD1 LEU 83 2HD1 LEU 83 6.616 -8.060 -12.328 638 1HD2 LEU 83 2HD2 LEU 83 4.365 -5.671 -14.125 639 2HD2 LEU 83 3HD2 LEU 83 3.955 -6.196 -12.476 640 3HD2 LEU 83 1HD2 LEU 83 5.639 -5.793 -12.888 641 H HIS 84 H HIS 84 8.200 -8.566 -15.527 642 HA HIS 84 HA HIS 84 8.310 -11.090 -16.758 643 1HB HIS 84 1HB HIS 84 10.108 -9.239 -15.656 644 2HB HIS 84 2HB HIS 84 10.303 -10.681 -14.680 645 HD1 HIS 84 HD1 HIS 84 9.367 -11.156 -18.282 646 HD2 HIS 84 HD2 HIS 84 12.834 -11.133 -15.919 647 HE1 HIS 84 HE1 HIS 84 11.221 -12.157 -19.721 648 HE2 HIS 84 HE2 HIS 84 13.338 -12.065 -18.235 649 HA PRO 85 HA PRO 85 7.279 -13.778 -13.497 650 1HB PRO 85 1HB PRO 85 9.394 -15.440 -13.008 651 2HB PRO 85 2HB PRO 85 8.322 -15.631 -14.381 652 1HG PRO 85 1HG PRO 85 11.083 -14.576 -14.318 653 2HG PRO 85 2HG PRO 85 10.165 -15.167 -15.689 654 1HD PRO 85 1HD PRO 85 10.691 -12.427 -15.029 655 2HD PRO 85 2HD PRO 85 9.676 -13.015 -16.333 656 H ASP 86 H ASP 86 9.043 -11.277 -12.817 657 HA ASP 86 HA ASP 86 10.009 -12.023 -10.270 658 1HB ASP 86 1HB ASP 86 11.199 -10.183 -10.969 659 2HB ASP 86 2HB ASP 86 9.887 -9.593 -11.967 660 H ASP 87 H ASP 87 6.991 -10.847 -11.680 661 HA ASP 87 HA ASP 87 5.515 -11.361 -9.433 662 1HB ASP 87 1HB ASP 87 6.555 -8.549 -9.653 663 2HB ASP 87 2HB ASP 87 4.869 -8.724 -9.209 664 H ARG 88 H ARG 88 5.124 -12.056 -12.023 665 HA ARG 88 HA ARG 88 3.463 -10.058 -13.264 666 1HB ARG 88 1HB ARG 88 3.443 -11.638 -15.203 667 2HB ARG 88 2HB ARG 88 5.078 -11.274 -14.689 668 1HG ARG 88 1HG ARG 88 4.989 -13.411 -13.261 669 2HG ARG 88 2HG ARG 88 3.475 -13.793 -14.059 670 1HD ARG 88 1HD ARG 88 5.071 -13.222 -16.241 671 2HD ARG 88 2HD ARG 88 6.259 -13.884 -15.134 672 HE ARG 88 HE ARG 88 4.208 -15.370 -16.510 673 1HH1 ARG 88 2HH1 ARG 88 3.913 -17.589 -16.054 674 2HH1 ARG 88 1HH1 ARG 88 4.539 -18.261 -14.585 675 1HH2 ARG 88 2HH2 ARG 88 5.900 -15.225 -13.427 676 2HH2 ARG 88 1HH2 ARG 88 5.677 -16.907 -13.082 677 H SER 89 H SER 89 3.313 -13.512 -12.141 678 HA SER 89 HA SER 89 0.562 -13.728 -12.655 679 1HB SER 89 1HB SER 89 2.467 -15.552 -12.294 680 2HB SER 89 2HB SER 89 1.981 -15.446 -10.615 681 HG SER 89 HG SER 89 0.805 -17.106 -11.769 682 H LYS 90 H LYS 90 2.214 -11.860 -10.422 683 HA LYS 90 HA LYS 90 0.314 -12.295 -8.258 684 1HB LYS 90 1HB LYS 90 3.047 -11.245 -8.503 685 2HB LYS 90 2HB LYS 90 2.018 -10.260 -7.483 686 1HG LYS 90 1HG LYS 90 1.835 -13.231 -7.091 687 2HG LYS 90 2HG LYS 90 3.326 -12.469 -6.578 688 1HD LYS 90 1HD LYS 90 2.326 -11.616 -4.728 689 2HD LYS 90 2HD LYS 90 1.093 -10.835 -5.696 690 1HE LYS 90 1HE LYS 90 -0.445 -12.517 -5.345 691 2HE LYS 90 2HE LYS 90 0.760 -13.786 -5.444 692 1HZ LYS 90 1HZ LYS 90 0.684 -11.982 -3.146 693 2HZ LYS 90 2HZ LYS 90 -0.278 -13.300 -3.209 694 3HZ LYS 90 3HZ LYS 90 1.346 -13.471 -3.248 695 H ILE 91 H ILE 91 0.612 -10.509 -11.137 696 HA ILE 91 HA ILE 91 -1.304 -8.547 -10.090 697 HB ILE 91 HB ILE 91 -0.299 -6.792 -11.177 698 1HG1 ILE 91 1HG1 ILE 91 1.275 -8.762 -12.862 699 2HG1 ILE 91 2HG1 ILE 91 -0.123 -7.845 -13.385 700 1HG2 ILE 91 1HG2 ILE 91 1.287 -8.364 -9.483 701 2HG2 ILE 91 2HG2 ILE 91 2.363 -7.860 -10.808 702 3HG2 ILE 91 3HG2 ILE 91 1.482 -6.636 -9.863 703 1HD1 ILE 91 2HD1 ILE 91 1.935 -6.117 -12.173 704 2HD1 ILE 91 3HD1 ILE 91 2.538 -7.020 -13.584 705 3HD1 ILE 91 1HD1 ILE 91 1.112 -5.969 -13.745 706 H THR 92 H THR 92 -0.092 -10.560 -12.802 707 HA THR 92 HA THR 92 -1.614 -10.021 -14.877 708 HB THR 92 HB THR 92 -0.096 -12.087 -14.293 709 HG1 THR 92 HG1 THR 92 -2.616 -12.436 -15.754 710 1HG2 THR 92 1HG2 THR 92 -1.757 -12.991 -12.542 711 2HG2 THR 92 2HG2 THR 92 -2.869 -13.315 -13.894 712 3HG2 THR 92 3HG2 THR 92 -1.296 -14.147 -13.814 713 H LYS 93 H LYS 93 -3.705 -10.194 -15.674 714 HA LYS 93 HA LYS 93 -5.748 -11.202 -13.903 715 1HB LYS 93 1HB LYS 93 -5.215 -8.318 -14.236 716 2HB LYS 93 2HB LYS 93 -6.880 -8.780 -14.526 717 1HG LYS 93 1HG LYS 93 -5.572 -10.005 -12.120 718 2HG LYS 93 2HG LYS 93 -5.881 -8.282 -12.038 719 1HD LYS 93 1HD LYS 93 -8.093 -8.636 -11.683 720 2HD LYS 93 2HD LYS 93 -8.220 -9.589 -13.150 721 1HE LYS 93 1HE LYS 93 -6.956 -11.406 -11.536 722 2HE LYS 93 2HE LYS 93 -7.834 -10.497 -10.321 723 1HZ LYS 93 1HZ LYS 93 -9.698 -10.829 -12.175 724 2HZ LYS 93 2HZ LYS 93 -8.845 -12.206 -12.385 725 3HZ LYS 93 3HZ LYS 93 -9.478 -11.852 -10.921 726 HA PRO 94 HA PRO 94 -6.784 -12.201 -18.058 727 1HB PRO 94 1HB PRO 94 -8.343 -14.369 -17.473 728 2HB PRO 94 2HB PRO 94 -6.609 -14.470 -17.707 729 1HG PRO 94 1HG PRO 94 -8.151 -14.582 -15.187 730 2HG PRO 94 2HG PRO 94 -6.503 -15.097 -15.489 731 1HD PRO 94 1HD PRO 94 -7.333 -12.699 -14.152 732 2HD PRO 94 2HD PRO 94 -5.691 -13.158 -14.557 733 H SER 95 H SER 95 -9.191 -12.260 -15.479 734 HA SER 95 HA SER 95 -10.669 -10.271 -16.775 735 1HB SER 95 1HB SER 95 -12.744 -11.682 -17.191 736 2HB SER 95 2HB SER 95 -11.428 -11.947 -18.316 737 HG SER 95 HG SER 95 -11.347 -13.992 -17.709 738 H GLU 96 H GLU 96 -12.994 -10.141 -15.596 739 HA GLU 96 HA GLU 96 -13.066 -11.401 -13.060 740 1HB GLU 96 1HB GLU 96 -11.431 -9.243 -13.027 741 2HB GLU 96 2HB GLU 96 -12.957 -8.413 -12.792 742 1HG GLU 96 1HG GLU 96 -12.932 -10.758 -11.093 743 2HG GLU 96 2HG GLU 96 -11.426 -9.893 -10.857 744 H SER 97 H SER 97 -15.137 -11.093 -12.003 745 HA SER 97 HA SER 97 -16.993 -9.409 -13.447 746 1HB SER 97 1HB SER 97 -16.973 -12.348 -13.497 747 2HB SER 97 2HB SER 97 -18.492 -11.725 -12.884 748 HG SER 97 HG SER 97 -18.454 -10.259 -14.843 749 H ILE 98 H ILE 98 -19.153 -9.254 -12.172 750 HA ILE 98 HA ILE 98 -18.772 -9.838 -9.340 751 HB ILE 98 HB ILE 98 -19.516 -7.567 -8.749 752 1HG1 ILE 98 1HG1 ILE 98 -18.784 -6.429 -11.377 753 2HG1 ILE 98 2HG1 ILE 98 -20.293 -7.320 -11.359 754 1HG2 ILE 98 2HG2 ILE 98 -16.942 -7.784 -10.330 755 2HG2 ILE 98 3HG2 ILE 98 -17.351 -6.445 -9.230 756 3HG2 ILE 98 1HG2 ILE 98 -17.175 -8.099 -8.594 757 1HD1 ILE 98 2HD1 ILE 98 -19.985 -5.575 -8.996 758 2HD1 ILE 98 3HD1 ILE 98 -19.965 -4.681 -10.536 759 3HD1 ILE 98 1HD1 ILE 98 -21.351 -5.722 -10.128 760 H ILE 99 H ILE 99 -20.974 -9.201 -8.157 761 HA ILE 99 HA ILE 99 -23.212 -9.731 -9.950 762 HB ILE 99 HB ILE 99 -22.111 -11.826 -8.761 763 1HG1 ILE 99 1HG1 ILE 99 -25.025 -12.002 -8.516 764 2HG1 ILE 99 2HG1 ILE 99 -24.518 -11.258 -10.020 765 1HG2 ILE 99 3HG2 ILE 99 -23.959 -10.702 -6.640 766 2HG2 ILE 99 1HG2 ILE 99 -23.341 -12.371 -6.674 767 3HG2 ILE 99 2HG2 ILE 99 -22.212 -11.007 -6.497 768 1HD1 ILE 99 1HD1 ILE 99 -22.844 -13.219 -10.258 769 2HD1 ILE 99 2HD1 ILE 99 -23.751 -13.996 -8.939 770 3HD1 ILE 99 3HD1 ILE 99 -24.569 -13.604 -10.470 771 H THR 100 H THR 100 -25.230 -8.929 -9.170 772 HA THR 100 HA THR 100 -24.897 -6.737 -7.330 773 HB THR 100 HB THR 100 -26.231 -6.688 -9.507 774 HG1 THR 100 HG1 THR 100 -26.557 -5.331 -7.479 775 1HG2 THR 100 2HG2 THR 100 -27.663 -8.853 -8.070 776 2HG2 THR 100 3HG2 THR 100 -28.737 -7.539 -8.606 777 3HG2 THR 100 1HG2 THR 100 -27.733 -8.407 -9.792 778 H THR 101 H THR 101 -26.596 -6.362 -5.588 779 HA THR 101 HA THR 101 -27.414 -8.868 -4.326 780 HB THR 101 HB THR 101 -25.099 -8.203 -3.495 781 HG1 THR 101 HG1 THR 101 -26.062 -9.168 -1.754 782 1HG2 THR 101 1HG2 THR 101 -26.666 -5.869 -2.277 783 2HG2 THR 101 2HG2 THR 101 -24.965 -6.279 -1.950 784 3HG2 THR 101 3HG2 THR 101 -25.446 -5.696 -3.562 785 H ILE 102 H ILE 102 -28.907 -8.452 -2.436 786 HA ILE 102 HA ILE 102 -30.883 -7.669 -1.815 787 HB ILE 102 HB ILE 102 -29.220 -5.988 -0.915 788 1HG1 ILE 102 1HG1 ILE 102 -31.834 -4.594 -1.202 789 2HG1 ILE 102 2HG1 ILE 102 -31.884 -6.230 -0.576 790 1HG2 ILE 102 3HG2 ILE 102 -30.115 -4.565 -3.392 791 2HG2 ILE 102 1HG2 ILE 102 -29.774 -3.622 -1.921 792 3HG2 ILE 102 2HG2 ILE 102 -28.506 -4.647 -2.635 793 1HD1 ILE 102 2HD1 ILE 102 -30.001 -5.507 1.051 794 2HD1 ILE 102 3HD1 ILE 102 -30.384 -3.839 0.558 795 3HD1 ILE 102 1HD1 ILE 102 -31.625 -4.841 1.349 796 H ASP 103 H ASP 103 -32.725 -5.907 -2.450 797 HA ASP 103 HA ASP 103 -32.745 -5.269 -5.201 798 1HB ASP 103 1HB ASP 103 -34.523 -6.738 -5.930 799 2HB ASP 103 2HB ASP 103 -33.276 -7.746 -5.223 800 H SER 104 H SER 104 -35.021 -4.287 -5.758 801 HA SER 104 HA SER 104 -35.707 -2.360 -4.084 802 1HB SER 104 1HB SER 104 -36.578 -2.896 -6.463 803 2HB SER 104 2HB SER 104 -37.828 -3.843 -5.682 804 HG SER 104 HG SER 104 -37.842 -1.209 -6.131 No H/Q in entry = 804 Start of MODEL 15 1 H ALA 1 H ALA 1 34.292 0.069 -31.850 2 HA ALA 1 HA ALA 1 33.165 -0.391 -30.003 3 1HB ALA 1 1HB ALA 1 33.933 1.867 -28.335 4 2HB ALA 1 2HB ALA 1 34.368 0.148 -28.181 5 3HB ALA 1 3HB ALA 1 35.337 1.221 -29.218 6 H GLU 2 H GLU 2 30.992 -0.191 -29.867 7 HA GLU 2 HA GLU 2 29.779 2.194 -29.140 8 1HB GLU 2 1HB GLU 2 28.573 2.786 -31.201 9 2HB GLU 2 2HB GLU 2 30.302 2.907 -31.452 10 1HG GLU 2 1HG GLU 2 30.237 0.532 -32.411 11 2HG GLU 2 2HG GLU 2 28.488 0.617 -32.335 12 H GLU 3 H GLU 3 27.289 1.967 -29.243 13 HA GLU 3 HA GLU 3 26.122 -0.423 -29.950 14 1HB GLU 3 1HB GLU 3 27.491 -0.489 -27.348 15 2HB GLU 3 2HB GLU 3 25.785 -0.858 -27.196 16 1HG GLU 3 1HG GLU 3 26.680 -2.265 -29.514 17 2HG GLU 3 2HG GLU 3 27.920 -2.507 -28.300 18 H SER 4 H SER 4 23.861 -0.651 -28.710 19 HA SER 4 HA SER 4 22.868 1.477 -27.294 20 1HB SER 4 1HB SER 4 23.306 2.316 -29.893 21 2HB SER 4 2HB SER 4 21.638 1.788 -29.981 22 HG SER 4 HG SER 4 21.922 4.067 -29.353 23 H SER 5 H SER 5 20.528 1.210 -26.883 24 HA SER 5 HA SER 5 19.020 -0.654 -28.290 25 1HB SER 5 1HB SER 5 20.784 -1.777 -26.272 26 2HB SER 5 2HB SER 5 19.119 -2.013 -25.781 27 HG SER 5 HG SER 5 20.490 -3.007 -28.085 28 H LYS 6 H LYS 6 16.842 -0.983 -27.212 29 HA LYS 6 HA LYS 6 16.208 0.257 -24.795 30 1HB LYS 6 1HB LYS 6 15.144 2.293 -25.470 31 2HB LYS 6 2HB LYS 6 16.801 2.324 -26.044 32 1HG LYS 6 1HG LYS 6 15.454 1.121 -28.174 33 2HG LYS 6 2HG LYS 6 14.274 2.279 -27.591 34 1HD LYS 6 1HD LYS 6 15.775 4.135 -27.901 35 2HD LYS 6 2HD LYS 6 17.169 3.087 -28.062 36 1HE LYS 6 1HE LYS 6 16.814 3.457 -30.311 37 2HE LYS 6 2HE LYS 6 15.708 2.111 -30.127 38 1HZ LYS 6 1HZ LYS 6 14.534 4.606 -29.438 39 2HZ LYS 6 2HZ LYS 6 15.041 4.562 -30.988 40 3HZ LYS 6 3HZ LYS 6 13.985 3.442 -30.442 41 H ALA 7 H ALA 7 15.112 -1.736 -24.570 42 HA ALA 7 HA ALA 7 12.462 -1.702 -25.568 43 1HB ALA 7 3HB ALA 7 12.649 -2.952 -27.423 44 2HB ALA 7 2HB ALA 7 13.458 -4.237 -26.495 45 3HB ALA 7 1HB ALA 7 14.418 -2.936 -27.239 46 H VAL 8 H VAL 8 12.343 -1.651 -23.183 47 HA VAL 8 HA VAL 8 13.389 -3.344 -21.406 48 HB VAL 8 HB VAL 8 12.018 -1.870 -20.406 49 1HG1 VAL 8 2HG1 VAL 8 10.506 -2.050 -22.928 50 2HG1 VAL 8 3HG1 VAL 8 9.500 -1.723 -21.496 51 3HG1 VAL 8 1HG1 VAL 8 10.858 -0.644 -21.896 52 1HG2 VAL 8 1HG2 VAL 8 11.325 -4.212 -19.700 53 2HG2 VAL 8 2HG2 VAL 8 10.152 -2.915 -19.369 54 3HG2 VAL 8 3HG2 VAL 8 9.901 -4.009 -20.749 55 H LYS 9 H LYS 9 10.146 -4.074 -22.882 56 HA LYS 9 HA LYS 9 9.323 -5.981 -23.673 57 1HB LYS 9 1HB LYS 9 12.030 -6.357 -24.137 58 2HB LYS 9 2HB LYS 9 11.593 -7.777 -23.208 59 1HG LYS 9 1HG LYS 9 9.659 -8.176 -24.777 60 2HG LYS 9 2HG LYS 9 10.171 -6.794 -25.726 61 1HD LYS 9 1HD LYS 9 12.533 -8.227 -25.555 62 2HD LYS 9 2HD LYS 9 11.354 -9.522 -25.566 63 1HE LYS 9 1HE LYS 9 10.353 -7.908 -27.569 64 2HE LYS 9 2HE LYS 9 12.068 -7.591 -27.726 65 1HZ LYS 9 3HZ LYS 9 11.247 -10.351 -27.427 66 2HZ LYS 9 1HZ LYS 9 10.948 -9.629 -28.862 67 3HZ LYS 9 2HZ LYS 9 12.477 -9.722 -28.297 68 H TYR 10 H TYR 10 11.540 -6.514 -20.851 69 HA TYR 10 HA TYR 10 9.218 -7.594 -19.425 70 1HB TYR 10 1HB TYR 10 11.514 -8.979 -18.519 71 2HB TYR 10 2HB TYR 10 10.307 -9.648 -19.599 72 HD1 TYR 10 HD1 TYR 10 10.831 -10.157 -21.859 73 HD2 TYR 10 HD2 TYR 10 13.559 -7.836 -19.519 74 HE1 TYR 10 HE1 TYR 10 12.595 -10.381 -23.677 75 HE2 TYR 10 HE2 TYR 10 15.313 -8.068 -21.344 76 HH TYR 10 HH TYR 10 14.540 -9.218 -24.448 77 H TYR 11 H TYR 11 8.899 -6.420 -17.609 78 HA TYR 11 HA TYR 11 11.298 -5.321 -16.304 79 1HB TYR 11 1HB TYR 11 8.745 -4.173 -17.344 80 2HB TYR 11 2HB TYR 11 9.005 -3.761 -15.661 81 HD1 TYR 11 HD1 TYR 11 11.958 -4.258 -17.748 82 HD2 TYR 11 HD2 TYR 11 9.133 -1.372 -16.338 83 HE1 TYR 11 HE1 TYR 11 13.519 -2.378 -18.449 84 HE2 TYR 11 HE2 TYR 11 10.703 0.499 -17.043 85 HH TYR 11 HH TYR 11 12.488 0.855 -18.607 86 H THR 12 H THR 12 10.908 -4.806 -13.932 87 HA THR 12 HA THR 12 9.215 -6.927 -12.793 88 HB THR 12 HB THR 12 10.832 -6.857 -10.917 89 HG1 THR 12 HG1 THR 12 12.703 -5.296 -11.424 90 1HG2 THR 12 3HG2 THR 12 11.616 -7.455 -13.655 91 2HG2 THR 12 1HG2 THR 12 12.994 -6.724 -12.795 92 3HG2 THR 12 2HG2 THR 12 12.219 -8.190 -12.149 93 H LEU 13 H LEU 13 8.051 -6.487 -10.806 94 HA LEU 13 HA LEU 13 6.407 -4.347 -10.950 95 1HB LEU 13 1HB LEU 13 7.170 -6.312 -8.914 96 2HB LEU 13 2HB LEU 13 6.544 -4.818 -8.244 97 HG LEU 13 HG LEU 13 5.155 -6.711 -10.150 98 1HD1 LEU 13 2HD1 LEU 13 5.311 -6.765 -7.417 99 2HD1 LEU 13 3HD1 LEU 13 3.810 -5.848 -7.684 100 3HD1 LEU 13 1HD1 LEU 13 3.999 -7.471 -8.391 101 1HD2 LEU 13 2HD2 LEU 13 4.508 -3.863 -9.452 102 2HD2 LEU 13 3HD2 LEU 13 4.421 -4.703 -11.019 103 3HD2 LEU 13 1HD2 LEU 13 3.198 -5.028 -9.768 104 H GLU 14 H GLU 14 9.638 -4.532 -9.394 105 HA GLU 14 HA GLU 14 9.430 -2.004 -8.203 106 1HB GLU 14 1HB GLU 14 11.245 -4.159 -8.169 107 2HB GLU 14 2HB GLU 14 12.174 -2.833 -8.839 108 1HG GLU 14 1HG GLU 14 12.494 -2.508 -6.536 109 2HG GLU 14 2HG GLU 14 11.160 -1.420 -6.860 110 H GLU 15 H GLU 15 10.938 -3.214 -11.267 111 HA GLU 15 HA GLU 15 12.115 -0.908 -12.071 112 1HB GLU 15 1HB GLU 15 12.151 -3.243 -13.154 113 2HB GLU 15 2HB GLU 15 10.655 -2.803 -13.954 114 1HG GLU 15 1HG GLU 15 12.603 -2.343 -15.416 115 2HG GLU 15 2HG GLU 15 11.754 -0.859 -15.024 116 H ILE 16 H ILE 16 8.667 -1.873 -12.246 117 HA ILE 16 HA ILE 16 7.975 0.441 -13.808 118 HB ILE 16 HB ILE 16 6.152 -1.493 -12.384 119 1HG1 ILE 16 1HG1 ILE 16 6.591 -1.968 -15.238 120 2HG1 ILE 16 2HG1 ILE 16 8.050 -2.196 -14.293 121 1HG2 ILE 16 3HG2 ILE 16 5.365 0.776 -13.404 122 2HG2 ILE 16 1HG2 ILE 16 5.555 -0.071 -14.959 123 3HG2 ILE 16 2HG2 ILE 16 4.444 -0.713 -13.725 124 1HD1 ILE 16 1HD1 ILE 16 5.766 -3.354 -12.893 125 2HD1 ILE 16 2HD1 ILE 16 5.888 -4.004 -14.544 126 3HD1 ILE 16 3HD1 ILE 16 7.270 -4.140 -13.432 127 H GLN 17 H GLN 17 8.043 -0.581 -10.390 128 HA GLN 17 HA GLN 17 6.425 1.466 -9.436 129 1HB GLN 17 1HB GLN 17 7.523 -0.748 -8.336 130 2HB GLN 17 2HB GLN 17 8.672 0.432 -7.735 131 1HG GLN 17 1HG GLN 17 5.872 1.339 -7.461 132 2HG GLN 17 2HG GLN 17 6.179 -0.158 -6.603 133 1HE2 GLN 17 1HE2 GLN 17 6.006 0.757 -4.598 134 2HE2 GLN 17 2HE2 GLN 17 7.192 1.819 -3.912 135 H LYS 18 H LYS 18 9.907 1.265 -10.228 136 HA LYS 18 HA LYS 18 10.642 3.660 -8.944 137 1HB LYS 18 1HB LYS 18 11.960 2.232 -11.272 138 2HB LYS 18 2HB LYS 18 12.699 3.455 -10.259 139 1HG LYS 18 1HG LYS 18 11.481 1.054 -8.898 140 2HG LYS 18 2HG LYS 18 12.996 0.827 -9.752 141 1HD LYS 18 1HD LYS 18 12.492 2.905 -7.567 142 2HD LYS 18 2HD LYS 18 13.370 1.403 -7.355 143 1HE LYS 18 1HE LYS 18 15.236 2.602 -7.884 144 2HE LYS 18 2HE LYS 18 14.679 2.513 -9.543 145 1HZ LYS 18 1HZ LYS 18 13.283 4.562 -8.381 146 2HZ LYS 18 2HZ LYS 18 14.821 4.752 -7.869 147 3HZ LYS 18 3HZ LYS 18 14.495 4.690 -9.467 148 H HIS 19 H HIS 19 9.149 2.867 -12.068 149 HA HIS 19 HA HIS 19 9.480 5.628 -12.916 150 1HB HIS 19 1HB HIS 19 8.753 3.058 -14.282 151 2HB HIS 19 2HB HIS 19 8.247 4.576 -14.997 152 HD1 HIS 19 HD1 HIS 19 9.821 4.615 -16.993 153 HD2 HIS 19 HD2 HIS 19 11.816 4.068 -13.344 154 HE1 HIS 19 HE1 HIS 19 12.313 4.808 -17.505 155 HE2 HIS 19 HE2 HIS 19 13.484 4.518 -15.217 156 H ASN 20 H ASN 20 8.065 6.758 -11.534 157 HA ASN 20 HA ASN 20 5.281 6.226 -12.140 158 1HB ASN 20 1HB ASN 20 5.305 5.268 -9.980 159 2HB ASN 20 2HB ASN 20 6.587 6.318 -9.414 160 1HD2 ASN 20 1HD2 ASN 20 3.363 6.727 -10.882 161 2HD2 ASN 20 2HD2 ASN 20 2.741 7.864 -9.732 162 H ASN 21 H ASN 21 7.666 8.228 -12.687 163 HA ASN 21 HA ASN 21 6.399 10.621 -11.637 164 1HB ASN 21 1HB ASN 21 9.165 10.067 -12.812 165 2HB ASN 21 2HB ASN 21 8.590 11.701 -12.548 166 1HD2 ASN 21 1HD2 ASN 21 9.141 8.583 -10.974 167 2HD2 ASN 21 2HD2 ASN 21 9.481 9.182 -9.385 168 H SER 22 H SER 22 6.226 12.510 -13.227 169 HA SER 22 HA SER 22 4.946 11.719 -15.535 170 1HB SER 22 1HB SER 22 5.006 14.139 -16.137 171 2HB SER 22 2HB SER 22 4.514 13.878 -14.476 172 HG SER 22 HG SER 22 6.330 14.806 -13.732 173 H LYS 23 H LYS 23 8.307 11.877 -14.793 174 HA LYS 23 HA LYS 23 9.077 12.316 -17.566 175 1HB LYS 23 1HB LYS 23 10.255 12.847 -15.014 176 2HB LYS 23 2HB LYS 23 11.303 11.731 -15.868 177 1HG LYS 23 1HG LYS 23 11.146 13.261 -17.906 178 2HG LYS 23 2HG LYS 23 10.274 14.409 -16.910 179 1HD LYS 23 1HD LYS 23 12.166 14.754 -15.459 180 2HD LYS 23 2HD LYS 23 12.994 13.336 -16.067 181 1HE LYS 23 1HE LYS 23 12.766 14.676 -18.410 182 2HE LYS 23 2HE LYS 23 12.704 16.055 -17.330 183 1HZ LYS 23 2HZ LYS 23 14.750 14.152 -16.704 184 2HZ LYS 23 3HZ LYS 23 14.944 14.893 -18.146 185 3HZ LYS 23 1HZ LYS 23 14.829 15.782 -16.781 186 H SER 24 H SER 24 8.359 9.776 -15.298 187 HA SER 24 HA SER 24 9.103 7.880 -17.328 188 1HB SER 24 1HB SER 24 10.640 8.253 -14.870 189 2HB SER 24 2HB SER 24 9.961 6.639 -14.928 190 HG SER 24 HG SER 24 10.840 6.759 -17.306 191 H THR 25 H THR 25 6.622 8.125 -17.269 192 HA THR 25 HA THR 25 5.377 6.843 -14.971 193 HB THR 25 HB THR 25 3.831 7.687 -17.405 194 HG1 THR 25 HG1 THR 25 4.224 9.958 -16.507 195 1HG2 THR 25 1HG2 THR 25 3.606 7.809 -14.398 196 2HG2 THR 25 2HG2 THR 25 2.820 9.103 -15.332 197 3HG2 THR 25 3HG2 THR 25 2.362 7.404 -15.603 198 H TRP 26 H TRP 26 5.672 4.681 -14.894 199 HA TRP 26 HA TRP 26 4.983 3.229 -17.359 200 1HB TRP 26 1HB TRP 26 7.308 3.000 -15.569 201 2HB TRP 26 2HB TRP 26 6.523 1.477 -15.938 202 HD1 TRP 26 HD1 TRP 26 7.424 0.365 -18.120 203 HE1 TRP 26 HE1 TRP 26 8.661 1.073 -20.341 204 HE3 TRP 26 HE3 TRP 26 7.396 5.359 -17.163 205 HZ2 TRP 26 HZ2 TRP 26 9.471 3.585 -21.424 206 HZ3 TRP 26 HZ3 TRP 26 8.432 6.871 -18.854 207 HH2 TRP 26 HH2 TRP 26 9.445 6.058 -20.924 208 H LEU 27 H LEU 27 3.591 1.416 -17.074 209 HA LEU 27 HA LEU 27 2.794 0.726 -14.386 210 1HB LEU 27 1HB LEU 27 0.614 1.410 -14.449 211 2HB LEU 27 2HB LEU 27 1.446 2.764 -15.189 212 HG LEU 27 HG LEU 27 -0.403 2.507 -16.548 213 1HD1 LEU 27 3HD1 LEU 27 1.972 2.191 -17.698 214 2HD1 LEU 27 1HD1 LEU 27 1.260 0.626 -18.158 215 3HD1 LEU 27 2HD1 LEU 27 0.454 2.142 -18.628 216 1HD2 LEU 27 3HD2 LEU 27 -0.384 -0.193 -15.579 217 2HD2 LEU 27 1HD2 LEU 27 -1.702 0.722 -16.347 218 3HD2 LEU 27 2HD2 LEU 27 -0.560 -0.203 -17.350 219 H ILE 28 H ILE 28 1.143 -1.151 -14.497 220 HA ILE 28 HA ILE 28 1.770 -2.749 -16.883 221 HB ILE 28 HB ILE 28 1.207 -4.018 -14.244 222 1HG1 ILE 28 1HG1 ILE 28 4.049 -3.346 -14.876 223 2HG1 ILE 28 2HG1 ILE 28 3.051 -2.087 -14.178 224 1HG2 ILE 28 2HG2 ILE 28 2.743 -4.719 -16.743 225 2HG2 ILE 28 3HG2 ILE 28 2.953 -5.618 -15.221 226 3HG2 ILE 28 1HG2 ILE 28 1.356 -5.555 -16.005 227 1HD1 ILE 28 1HD1 ILE 28 2.354 -4.196 -12.566 228 2HD1 ILE 28 2HD1 ILE 28 4.038 -4.618 -12.957 229 3HD1 ILE 28 3HD1 ILE 28 3.667 -3.053 -12.192 230 H LEU 29 H LEU 29 0.059 -3.526 -18.025 231 HA LEU 29 HA LEU 29 -2.556 -3.373 -16.696 232 1HB LEU 29 1HB LEU 29 -1.625 -1.879 -18.911 233 2HB LEU 29 2HB LEU 29 -2.763 -3.054 -19.539 234 HG LEU 29 HG LEU 29 -3.216 -0.700 -17.796 235 1HD1 LEU 29 1HD1 LEU 29 -3.988 -1.500 -20.324 236 2HD1 LEU 29 2HD1 LEU 29 -5.449 -1.779 -19.346 237 3HD1 LEU 29 3HD1 LEU 29 -4.694 -0.168 -19.378 238 1HD2 LEU 29 1HD2 LEU 29 -4.503 -3.359 -17.271 239 2HD2 LEU 29 2HD2 LEU 29 -3.954 -2.108 -16.129 240 3HD2 LEU 29 3HD2 LEU 29 -5.445 -1.861 -17.069 241 H HIS 30 H HIS 30 -3.658 -5.264 -16.642 242 HA HIS 30 HA HIS 30 -4.251 -7.332 -17.071 243 1HB HIS 30 1HB HIS 30 -4.855 -6.935 -19.258 244 2HB HIS 30 2HB HIS 30 -3.232 -6.502 -19.756 245 HD1 HIS 30 HD1 HIS 30 -1.954 -8.260 -21.008 246 HD2 HIS 30 HD2 HIS 30 -5.107 -9.880 -18.762 247 HE1 HIS 30 HE1 HIS 30 -2.050 -10.742 -21.594 248 HE2 HIS 30 HE2 HIS 30 -3.970 -11.693 -20.144 249 H TYR 31 H TYR 31 -0.985 -6.899 -18.619 250 HA TYR 31 HA TYR 31 0.352 -8.321 -16.609 251 1HB TYR 31 1HB TYR 31 -0.291 -10.448 -17.339 252 2HB TYR 31 2HB TYR 31 -1.016 -9.791 -18.794 253 HD1 TYR 31 HD1 TYR 31 0.040 -10.044 -20.892 254 HD2 TYR 31 HD2 TYR 31 2.255 -10.806 -17.311 255 HE1 TYR 31 HE1 TYR 31 1.949 -11.006 -22.267 256 HE2 TYR 31 HE2 TYR 31 4.155 -11.765 -18.699 257 HH TYR 31 HH TYR 31 4.895 -11.279 -21.315 258 H LYS 32 H LYS 32 0.125 -6.318 -19.256 259 HA LYS 32 HA LYS 32 2.962 -6.661 -19.926 260 1HB LYS 32 1HB LYS 32 0.689 -5.428 -21.507 261 2HB LYS 32 2HB LYS 32 2.373 -5.352 -21.984 262 1HG LYS 32 1HG LYS 32 2.406 -7.533 -22.679 263 2HG LYS 32 2HG LYS 32 1.513 -8.094 -21.279 264 1HD LYS 32 1HD LYS 32 -0.340 -8.287 -22.567 265 2HD LYS 32 2HD LYS 32 -0.343 -6.549 -22.790 266 1HE LYS 32 1HE LYS 32 1.456 -7.001 -24.655 267 2HE LYS 32 2HE LYS 32 0.916 -8.667 -24.569 268 1HZ LYS 32 2HZ LYS 32 -1.328 -7.048 -24.665 269 2HZ LYS 32 3HZ LYS 32 -0.318 -6.538 -25.842 270 3HZ LYS 32 1HZ LYS 32 -0.797 -8.097 -25.799 271 H VAL 33 H VAL 33 4.137 -4.545 -20.391 272 HA VAL 33 HA VAL 33 3.268 -2.582 -18.386 273 HB VAL 33 HB VAL 33 6.048 -3.093 -19.455 274 1HG1 VAL 33 1HG1 VAL 33 5.224 -0.831 -18.321 275 2HG1 VAL 33 2HG1 VAL 33 5.484 -1.771 -16.831 276 3HG1 VAL 33 3HG1 VAL 33 6.827 -1.525 -17.975 277 1HG2 VAL 33 3HG2 VAL 33 4.791 -4.956 -18.044 278 2HG2 VAL 33 1HG2 VAL 33 6.502 -4.561 -17.748 279 3HG2 VAL 33 2HG2 VAL 33 5.236 -3.895 -16.686 280 H TYR 34 H TYR 34 2.694 -0.580 -19.079 281 HA TYR 34 HA TYR 34 3.388 0.077 -21.863 282 1HB TYR 34 1HB TYR 34 1.079 1.038 -20.064 283 2HB TYR 34 2HB TYR 34 1.216 1.319 -21.789 284 HD1 TYR 34 HD1 TYR 34 1.131 -1.575 -19.393 285 HD2 TYR 34 HD2 TYR 34 -0.044 -0.021 -23.202 286 HE1 TYR 34 HE1 TYR 34 -0.208 -3.687 -19.849 287 HE2 TYR 34 HE2 TYR 34 -1.379 -2.140 -23.646 288 HH TYR 34 HH TYR 34 -1.312 -4.495 -22.900 289 H ASP 35 H ASP 35 3.939 2.280 -22.353 290 HA ASP 35 HA ASP 35 5.225 3.535 -20.121 291 1HB ASP 35 1HB ASP 35 6.530 4.601 -21.701 292 2HB ASP 35 2HB ASP 35 5.991 3.253 -22.682 293 H LEU 36 H LEU 36 3.587 4.565 -18.857 294 HA LEU 36 HA LEU 36 1.348 5.829 -19.949 295 1HB LEU 36 1HB LEU 36 2.737 5.873 -17.292 296 2HB LEU 36 2HB LEU 36 1.420 6.983 -17.612 297 HG LEU 36 HG LEU 36 1.371 3.999 -17.348 298 1HD1 LEU 36 3HD1 LEU 36 0.395 6.284 -15.888 299 2HD1 LEU 36 1HD1 LEU 36 -0.952 5.208 -16.325 300 3HD1 LEU 36 2HD1 LEU 36 0.438 4.569 -15.419 301 1HD2 LEU 36 3HD2 LEU 36 -0.449 5.636 -19.093 302 2HD2 LEU 36 1HD2 LEU 36 0.287 4.043 -19.393 303 3HD2 LEU 36 2HD2 LEU 36 -1.060 4.198 -18.241 304 H THR 37 H THR 37 4.709 6.820 -19.571 305 HA THR 37 HA THR 37 4.500 9.552 -19.476 306 HB THR 37 HB THR 37 6.443 7.573 -20.718 307 HG1 THR 37 HG1 THR 37 6.465 9.647 -18.639 308 1HG2 THR 37 1HG2 THR 37 6.520 9.764 -22.056 309 2HG2 THR 37 2HG2 THR 37 6.870 10.598 -20.523 310 3HG2 THR 37 3HG2 THR 37 8.011 9.390 -21.161 311 H LYS 38 H LYS 38 3.941 7.368 -22.251 312 HA LYS 38 HA LYS 38 3.723 9.582 -24.064 313 1HB LYS 38 1HB LYS 38 3.504 6.598 -24.240 314 2HB LYS 38 2HB LYS 38 2.778 7.567 -25.507 315 1HG LYS 38 1HG LYS 38 5.532 8.399 -24.709 316 2HG LYS 38 2HG LYS 38 5.426 6.818 -25.459 317 1HD LYS 38 1HD LYS 38 3.752 8.663 -26.945 318 2HD LYS 38 2HD LYS 38 5.334 9.387 -26.737 319 1HE LYS 38 1HE LYS 38 6.270 7.047 -27.483 320 2HE LYS 38 2HE LYS 38 4.643 6.736 -28.054 321 1HZ LYS 38 2HZ LYS 38 5.666 9.282 -28.835 322 2HZ LYS 38 3HZ LYS 38 6.521 8.028 -29.437 323 3HZ LYS 38 1HZ LYS 38 4.918 8.142 -29.733 324 H PHE 39 H PHE 39 1.610 7.612 -21.993 325 HA PHE 39 HA PHE 39 -0.701 8.989 -23.150 326 1HB PHE 39 1HB PHE 39 -0.365 6.359 -22.827 327 2HB PHE 39 2HB PHE 39 -0.657 6.687 -21.131 328 HD1 PHE 39 HD1 PHE 39 -2.372 4.857 -22.634 329 HD2 PHE 39 HD2 PHE 39 -2.645 9.068 -22.183 330 HE1 PHE 39 HE1 PHE 39 -4.847 4.741 -23.038 331 HE2 PHE 39 HE2 PHE 39 -5.118 8.952 -22.587 332 HZ PHE 39 HZ PHE 39 -6.190 6.789 -23.010 333 H LEU 40 H LEU 40 0.540 10.844 -21.781 334 HA LEU 40 HA LEU 40 -0.496 10.713 -19.040 335 1HB LEU 40 1HB LEU 40 1.902 11.928 -20.298 336 2HB LEU 40 2HB LEU 40 1.146 12.834 -19.003 337 HG LEU 40 HG LEU 40 2.362 10.073 -18.880 338 1HD1 LEU 40 2HD1 LEU 40 3.220 12.745 -18.175 339 2HD1 LEU 40 3HD1 LEU 40 3.235 11.673 -16.755 340 3HD1 LEU 40 1HD1 LEU 40 4.142 11.224 -18.218 341 1HD2 LEU 40 1HD2 LEU 40 0.186 11.178 -17.253 342 2HD2 LEU 40 2HD2 LEU 40 0.760 9.502 -17.428 343 3HD2 LEU 40 3HD2 LEU 40 1.582 10.612 -16.304 344 H GLU 41 H GLU 41 0.052 13.093 -21.738 345 HA GLU 41 HA GLU 41 -1.598 15.022 -20.786 346 1HB GLU 41 1HB GLU 41 -0.045 14.776 -22.977 347 2HB GLU 41 2HB GLU 41 -1.598 14.515 -23.748 348 1HG GLU 41 1HG GLU 41 -2.415 16.665 -23.131 349 2HG GLU 41 2HG GLU 41 -1.227 16.858 -21.857 350 H GLU 42 H GLU 42 -2.485 12.514 -23.279 351 HA GLU 42 HA GLU 42 -5.139 13.155 -23.381 352 1HB GLU 42 1HB GLU 42 -3.524 10.688 -23.985 353 2HB GLU 42 2HB GLU 42 -5.271 10.534 -23.975 354 1HG GLU 42 1HG GLU 42 -3.944 12.798 -25.505 355 2HG GLU 42 2HG GLU 42 -4.055 11.200 -26.215 356 H HIS 43 H HIS 43 -6.777 11.028 -22.791 357 HA HIS 43 HA HIS 43 -7.652 9.749 -21.181 358 1HB HIS 43 1HB HIS 43 -5.240 9.470 -20.328 359 2HB HIS 43 2HB HIS 43 -5.621 10.734 -19.176 360 HD1 HIS 43 HD1 HIS 43 -8.024 10.147 -17.763 361 HD2 HIS 43 HD2 HIS 43 -5.760 6.987 -19.337 362 HE1 HIS 43 HE1 HIS 43 -8.731 8.055 -16.484 363 HE2 HIS 43 HE2 HIS 43 -7.345 6.137 -17.532 364 HA PRO 44 HA PRO 44 -10.113 13.022 -19.720 365 1HB PRO 44 1HB PRO 44 -12.232 11.556 -18.808 366 2HB PRO 44 2HB PRO 44 -12.033 12.010 -20.488 367 1HG PRO 44 1HG PRO 44 -11.607 9.375 -19.219 368 2HG PRO 44 2HG PRO 44 -11.828 9.753 -20.916 369 1HD PRO 44 1HD PRO 44 -9.356 9.119 -19.609 370 2HD PRO 44 2HD PRO 44 -9.562 9.609 -21.277 371 H GLY 45 H GLY 45 -8.620 13.781 -18.155 372 1HA GLY 45 2HA GLY 45 -8.638 12.508 -15.577 373 2HA GLY 45 1HA GLY 45 -9.597 13.974 -15.621 374 H GLY 46 H GLY 46 -6.335 12.689 -16.560 375 1HA GLY 46 2HA GLY 46 -5.069 14.993 -15.351 376 2HA GLY 46 1HA GLY 46 -4.941 14.931 -17.097 377 H GLU 47 H GLU 47 -2.631 14.610 -16.985 378 HA GLU 47 HA GLU 47 -1.679 12.222 -17.409 379 1HB GLU 47 1HB GLU 47 -0.221 14.279 -15.691 380 2HB GLU 47 2HB GLU 47 0.539 13.012 -16.634 381 1HG GLU 47 1HG GLU 47 0.668 14.599 -18.276 382 2HG GLU 47 2HG GLU 47 -1.013 14.200 -18.570 383 H GLU 48 H GLU 48 -2.135 13.613 -14.101 384 HA GLU 48 HA GLU 48 -0.964 11.712 -12.614 385 1HB GLU 48 1HB GLU 48 -2.747 13.838 -12.178 386 2HB GLU 48 2HB GLU 48 -3.586 12.455 -11.507 387 1HG GLU 48 1HG GLU 48 -1.407 11.870 -10.270 388 2HG GLU 48 2HG GLU 48 -0.784 13.425 -10.789 389 H VAL 49 H VAL 49 -4.366 11.640 -13.883 390 HA VAL 49 HA VAL 49 -5.348 9.412 -12.824 391 HB VAL 49 HB VAL 49 -6.334 10.928 -14.572 392 1HG1 VAL 49 1HG1 VAL 49 -4.247 10.125 -16.147 393 2HG1 VAL 49 2HG1 VAL 49 -5.563 9.094 -16.755 394 3HG1 VAL 49 3HG1 VAL 49 -5.748 10.864 -16.749 395 1HG2 VAL 49 1HG2 VAL 49 -7.264 8.664 -13.710 396 2HG2 VAL 49 2HG2 VAL 49 -7.970 9.374 -15.182 397 3HG2 VAL 49 3HG2 VAL 49 -6.798 8.040 -15.312 398 H LEU 50 H LEU 50 -2.621 9.616 -15.092 399 HA LEU 50 HA LEU 50 -2.520 6.689 -15.161 400 1HB LEU 50 1HB LEU 50 -1.126 8.747 -16.878 401 2HB LEU 50 2HB LEU 50 -0.951 7.010 -17.027 402 HG LEU 50 HG LEU 50 -3.741 7.599 -17.143 403 1HD1 LEU 50 3HD1 LEU 50 -2.071 9.683 -18.336 404 2HD1 LEU 50 1HD1 LEU 50 -3.188 8.926 -19.498 405 3HD1 LEU 50 2HD1 LEU 50 -3.819 9.657 -18.003 406 1HD2 LEU 50 3HD2 LEU 50 -2.317 5.722 -18.174 407 2HD2 LEU 50 1HD2 LEU 50 -3.677 6.366 -19.123 408 3HD2 LEU 50 2HD2 LEU 50 -2.012 6.870 -19.500 409 H ARG 51 H ARG 51 -0.761 9.673 -14.238 410 HA ARG 51 HA ARG 51 1.611 8.390 -13.595 411 1HB ARG 51 1HB ARG 51 0.799 10.998 -13.744 412 2HB ARG 51 2HB ARG 51 0.793 10.804 -12.002 413 1HG ARG 51 1HG ARG 51 3.209 9.595 -13.054 414 2HG ARG 51 2HG ARG 51 3.055 11.205 -13.727 415 1HD ARG 51 1HD ARG 51 2.664 10.710 -10.749 416 2HD ARG 51 2HD ARG 51 4.265 10.946 -11.422 417 HE ARG 51 HE ARG 51 2.827 13.078 -12.455 418 1HH1 ARG 51 2HH1 ARG 51 2.634 15.129 -11.467 419 2HH1 ARG 51 1HH1 ARG 51 2.804 15.281 -9.749 420 1HH2 ARG 51 2HH2 ARG 51 3.373 11.848 -9.204 421 2HH2 ARG 51 1HH2 ARG 51 3.227 13.402 -8.455 422 H GLU 52 H GLU 52 -1.338 9.238 -11.686 423 HA GLU 52 HA GLU 52 -0.335 8.505 -9.217 424 1HB GLU 52 1HB GLU 52 -2.887 9.267 -10.373 425 2HB GLU 52 2HB GLU 52 -3.134 7.938 -9.259 426 1HG GLU 52 1HG GLU 52 -1.442 10.352 -8.496 427 2HG GLU 52 2HG GLU 52 -3.183 10.353 -8.288 428 H GLN 53 H GLN 53 -1.278 6.597 -11.980 429 HA GLN 53 HA GLN 53 -1.575 4.246 -10.309 430 1HB GLN 53 1HB GLN 53 -2.361 3.146 -12.418 431 2HB GLN 53 2HB GLN 53 -3.327 4.540 -11.974 432 1HG GLN 53 1HG GLN 53 -2.097 5.953 -13.593 433 2HG GLN 53 2HG GLN 53 -1.031 4.620 -13.988 434 1HE2 GLN 53 1HE2 GLN 53 -4.148 6.044 -14.379 435 2HE2 GLN 53 2HE2 GLN 53 -4.781 4.974 -15.586 436 H ALA 54 H ALA 54 0.642 5.917 -12.449 437 HA ALA 54 HA ALA 54 2.146 3.727 -13.335 438 1HB ALA 54 3HB ALA 54 2.078 6.334 -13.939 439 2HB ALA 54 2HB ALA 54 3.525 5.340 -14.233 440 3HB ALA 54 1HB ALA 54 3.436 6.378 -12.790 441 H GLY 55 H GLY 55 3.632 2.439 -12.333 442 1HA GLY 55 2HA GLY 55 4.397 3.203 -9.581 443 2HA GLY 55 1HA GLY 55 5.552 2.568 -10.735 444 H GLY 56 H GLY 56 3.064 0.888 -11.823 445 1HA GLY 56 2HA GLY 56 2.606 -0.989 -9.680 446 2HA GLY 56 1HA GLY 56 3.725 -1.568 -10.898 447 H ASP 57 H ASP 57 1.515 -3.060 -10.735 448 HA ASP 57 HA ASP 57 0.420 -2.866 -13.254 449 1HB ASP 57 1HB ASP 57 0.325 -5.009 -12.292 450 2HB ASP 57 2HB ASP 57 -0.211 -4.402 -10.737 451 H ALA 58 H ALA 58 -1.208 -1.498 -14.003 452 HA ALA 58 HA ALA 58 -2.779 -0.064 -12.010 453 1HB ALA 58 2HB ALA 58 -1.442 0.777 -14.239 454 2HB ALA 58 3HB ALA 58 -3.076 0.539 -14.902 455 3HB ALA 58 1HB ALA 58 -2.826 1.636 -13.523 456 H THR 59 H THR 59 -2.933 -2.802 -14.106 457 HA THR 59 HA THR 59 -5.515 -2.781 -15.040 458 HB THR 59 HB THR 59 -3.343 -4.547 -14.906 459 HG1 THR 59 HG1 THR 59 -6.135 -5.096 -15.621 460 1HG2 THR 59 2HG2 THR 59 -5.803 -5.722 -13.507 461 2HG2 THR 59 3HG2 THR 59 -4.512 -6.704 -14.237 462 3HG2 THR 59 1HG2 THR 59 -4.151 -5.646 -12.852 463 H GLU 60 H GLU 60 -4.383 -4.024 -11.825 464 HA GLU 60 HA GLU 60 -6.670 -4.911 -10.831 465 1HB GLU 60 1HB GLU 60 -5.849 -4.098 -8.574 466 2HB GLU 60 2HB GLU 60 -4.659 -4.980 -9.510 467 1HG GLU 60 1HG GLU 60 -3.256 -3.207 -9.402 468 2HG GLU 60 2HG GLU 60 -4.416 -2.234 -10.285 469 H ASN 61 H ASN 61 -5.900 -1.543 -11.590 470 HA ASN 61 HA ASN 61 -8.249 -0.646 -10.176 471 1HB ASN 61 1HB ASN 61 -5.737 0.527 -10.887 472 2HB ASN 61 2HB ASN 61 -6.939 1.395 -11.820 473 1HD2 ASN 61 1HD2 ASN 61 -5.365 1.171 -8.910 474 2HD2 ASN 61 2HD2 ASN 61 -6.408 2.118 -7.903 475 H PHE 62 H PHE 62 -6.738 -0.526 -13.494 476 HA PHE 62 HA PHE 62 -8.767 0.644 -14.874 477 1HB PHE 62 1HB PHE 62 -7.080 0.169 -16.387 478 2HB PHE 62 2HB PHE 62 -6.410 -1.035 -15.301 479 HD1 PHE 62 HD1 PHE 62 -7.593 -3.361 -15.307 480 HD2 PHE 62 HD2 PHE 62 -7.986 -0.501 -18.416 481 HE1 PHE 62 HE1 PHE 62 -8.295 -5.177 -16.890 482 HE2 PHE 62 HE2 PHE 62 -8.687 -2.317 -20.000 483 HZ PHE 62 HZ PHE 62 -8.833 -4.634 -19.218 484 H GLU 63 H GLU 63 -8.773 -2.471 -13.302 485 HA GLU 63 HA GLU 63 -10.680 -3.661 -15.005 486 1HB GLU 63 1HB GLU 63 -9.389 -4.305 -12.379 487 2HB GLU 63 2HB GLU 63 -10.919 -5.091 -12.708 488 1HG GLU 63 1HG GLU 63 -8.870 -5.079 -14.915 489 2HG GLU 63 2HG GLU 63 -8.565 -6.123 -13.541 490 H ASP 64 H ASP 64 -10.790 -1.924 -11.837 491 HA ASP 64 HA ASP 64 -13.536 -2.309 -11.495 492 1HB ASP 64 1HB ASP 64 -11.420 -1.268 -10.001 493 2HB ASP 64 2HB ASP 64 -12.375 0.164 -10.332 494 H VAL 65 H VAL 65 -11.542 0.615 -12.404 495 HA VAL 65 HA VAL 65 -13.602 2.328 -12.973 496 HB VAL 65 HB VAL 65 -11.643 3.421 -12.984 497 1HG1 VAL 65 1HG1 VAL 65 -10.511 0.844 -13.999 498 2HG1 VAL 65 2HG1 VAL 65 -9.574 2.337 -14.257 499 3HG1 VAL 65 3HG1 VAL 65 -10.023 1.842 -12.607 500 1HG2 VAL 65 3HG2 VAL 65 -12.751 3.737 -15.266 501 2HG2 VAL 65 1HG2 VAL 65 -11.043 4.214 -15.128 502 3HG2 VAL 65 2HG2 VAL 65 -11.477 2.674 -15.910 503 H GLY 66 H GLY 66 -12.663 -0.588 -14.612 504 1HA GLY 66 2HA GLY 66 -14.857 -0.659 -16.291 505 2HA GLY 66 1HA GLY 66 -13.381 -1.581 -16.496 506 H HIS 67 H HIS 67 -11.711 -0.834 -17.921 507 HA HIS 67 HA HIS 67 -12.160 1.666 -19.282 508 1HB HIS 67 1HB HIS 67 -9.948 -0.382 -19.258 509 2HB HIS 67 2HB HIS 67 -10.004 0.862 -20.491 510 HD1 HIS 67 HD1 HIS 67 -9.220 0.300 -16.887 511 HD2 HIS 67 HD2 HIS 67 -9.612 3.541 -19.520 512 HE1 HIS 67 HE1 HIS 67 -8.190 2.312 -15.702 513 HE2 HIS 67 HE2 HIS 67 -8.411 4.261 -17.389 514 H SER 68 H SER 68 -11.628 1.473 -21.838 515 HA SER 68 HA SER 68 -13.568 -0.481 -22.771 516 1HB SER 68 1HB SER 68 -14.203 1.027 -24.434 517 2HB SER 68 2HB SER 68 -13.768 2.123 -23.139 518 HG SER 68 HG SER 68 -12.130 2.887 -24.298 519 H THR 69 H THR 69 -13.107 -1.677 -24.778 520 HA THR 69 HA THR 69 -10.596 -2.795 -24.886 521 HB THR 69 HB THR 69 -11.463 -3.470 -27.261 522 HG1 THR 69 HG1 THR 69 -13.766 -2.774 -27.443 523 1HG2 THR 69 3HG2 THR 69 -12.990 -3.892 -24.667 524 2HG2 THR 69 1HG2 THR 69 -13.642 -4.533 -26.194 525 3HG2 THR 69 2HG2 THR 69 -12.050 -5.074 -25.610 526 H ASP 70 H ASP 70 -11.786 0.196 -26.395 527 HA ASP 70 HA ASP 70 -9.729 0.422 -28.246 528 1HB ASP 70 1HB ASP 70 -11.823 1.765 -28.296 529 2HB ASP 70 2HB ASP 70 -11.357 2.572 -26.811 530 H ALA 71 H ALA 71 -10.247 1.809 -24.918 531 HA ALA 71 HA ALA 71 -7.958 3.294 -24.697 532 1HB ALA 71 3HB ALA 71 -8.239 2.798 -22.209 533 2HB ALA 71 1HB ALA 71 -9.680 3.432 -23.039 534 3HB ALA 71 2HB ALA 71 -9.558 1.695 -22.668 535 H ARG 72 H ARG 72 -8.456 -0.227 -23.999 536 HA ARG 72 HA ARG 72 -5.885 -0.660 -23.101 537 1HB ARG 72 1HB ARG 72 -7.678 -2.654 -24.576 538 2HB ARG 72 2HB ARG 72 -6.381 -3.055 -23.470 539 1HG ARG 72 1HG ARG 72 -7.619 -1.843 -21.630 540 2HG ARG 72 2HG ARG 72 -8.937 -1.546 -22.747 541 1HD ARG 72 1HD ARG 72 -9.445 -3.534 -21.385 542 2HD ARG 72 2HD ARG 72 -9.237 -4.012 -23.058 543 HE ARG 72 HE ARG 72 -6.737 -4.152 -21.560 544 1HH1 ARG 72 2HH1 ARG 72 -5.853 -6.213 -21.122 545 2HH1 ARG 72 1HH1 ARG 72 -6.835 -7.630 -21.288 546 1HH2 ARG 72 2HH2 ARG 72 -9.719 -5.874 -22.289 547 2HH2 ARG 72 1HH2 ARG 72 -9.048 -7.436 -21.957 548 H GLU 73 H GLU 73 -7.368 -0.789 -26.385 549 HA GLU 73 HA GLU 73 -5.215 -1.935 -27.678 550 1HB GLU 73 1HB GLU 73 -7.618 -0.337 -28.467 551 2HB GLU 73 2HB GLU 73 -6.321 -0.402 -29.644 552 1HG GLU 73 1HG GLU 73 -6.329 -2.897 -29.527 553 2HG GLU 73 2HG GLU 73 -7.607 -2.844 -28.331 554 H LEU 74 H LEU 74 -6.075 1.535 -27.099 555 HA LEU 74 HA LEU 74 -4.001 2.657 -28.542 556 1HB LEU 74 1HB LEU 74 -4.773 4.595 -27.746 557 2HB LEU 74 2HB LEU 74 -6.117 3.600 -27.221 558 HG LEU 74 HG LEU 74 -4.581 3.375 -25.030 559 1HD1 LEU 74 1HD1 LEU 74 -3.259 5.402 -26.543 560 2HD1 LEU 74 2HD1 LEU 74 -3.994 6.159 -25.110 561 3HD1 LEU 74 3HD1 LEU 74 -2.878 4.788 -24.917 562 1HD2 LEU 74 2HD2 LEU 74 -6.923 4.754 -25.779 563 2HD2 LEU 74 3HD2 LEU 74 -6.387 4.307 -24.142 564 3HD2 LEU 74 1HD2 LEU 74 -5.954 5.895 -24.819 565 H SER 75 H SER 75 -4.113 1.348 -25.196 566 HA SER 75 HA SER 75 -1.651 2.298 -24.406 567 1HB SER 75 1HB SER 75 -3.682 0.691 -23.327 568 2HB SER 75 2HB SER 75 -2.293 -0.377 -23.352 569 HG SER 75 HG SER 75 -1.650 0.641 -21.589 570 H LYS 76 H LYS 76 -2.615 -0.502 -26.397 571 HA LYS 76 HA LYS 76 -0.240 -1.946 -26.249 572 1HB LYS 76 1HB LYS 76 -1.325 -3.339 -27.618 573 2HB LYS 76 2HB LYS 76 -2.697 -2.267 -27.429 574 1HG LYS 76 1HG LYS 76 -2.023 -0.989 -29.441 575 2HG LYS 76 2HG LYS 76 -0.572 -1.959 -29.603 576 1HD LYS 76 1HD LYS 76 -2.119 -4.019 -29.774 577 2HD LYS 76 2HD LYS 76 -3.458 -2.897 -29.906 578 1HE LYS 76 1HE LYS 76 -2.689 -2.019 -31.986 579 2HE LYS 76 2HE LYS 76 -1.056 -2.603 -31.738 580 1HZ LYS 76 2HZ LYS 76 -2.977 -4.694 -31.723 581 2HZ LYS 76 3HZ LYS 76 -2.975 -3.869 -33.131 582 3HZ LYS 76 1HZ LYS 76 -1.599 -4.559 -32.586 583 H THR 77 H THR 77 -0.904 1.169 -27.567 584 HA THR 77 HA THR 77 1.228 1.015 -29.533 585 HB THR 77 HB THR 77 -1.112 2.284 -29.631 586 HG1 THR 77 HG1 THR 77 0.102 3.810 -31.021 587 1HG2 THR 77 2HG2 THR 77 0.019 3.684 -27.482 588 2HG2 THR 77 3HG2 THR 77 0.428 4.703 -28.883 589 3HG2 THR 77 1HG2 THR 77 -1.271 4.301 -28.542 590 H PHE 78 H PHE 78 0.856 1.669 -26.161 591 HA PHE 78 HA PHE 78 3.360 3.191 -26.180 592 1HB PHE 78 1HB PHE 78 1.162 2.695 -24.081 593 2HB PHE 78 2HB PHE 78 2.582 3.679 -23.780 594 HD1 PHE 78 HD1 PHE 78 -0.510 4.334 -23.790 595 HD2 PHE 78 HD2 PHE 78 2.679 5.059 -26.494 596 HE1 PHE 78 HE1 PHE 78 -1.718 6.350 -24.675 597 HE2 PHE 78 HE2 PHE 78 1.471 7.073 -27.379 598 HZ PHE 78 HZ PHE 78 -0.713 7.695 -26.458 599 H ILE 79 H ILE 79 2.064 0.054 -25.708 600 HA ILE 79 HA ILE 79 3.317 -0.930 -23.506 601 HB ILE 79 HB ILE 79 2.382 -2.002 -26.089 602 1HG1 ILE 79 1HG1 ILE 79 1.894 -2.420 -23.164 603 2HG1 ILE 79 2HG1 ILE 79 0.760 -2.058 -24.448 604 1HG2 ILE 79 3HG2 ILE 79 4.602 -3.032 -25.981 605 2HG2 ILE 79 1HG2 ILE 79 4.252 -3.624 -24.340 606 3HG2 ILE 79 2HG2 ILE 79 3.311 -4.229 -25.724 607 1HD1 ILE 79 1HD1 ILE 79 1.221 -4.376 -25.408 608 2HD1 ILE 79 2HD1 ILE 79 2.158 -4.717 -23.934 609 3HD1 ILE 79 3HD1 ILE 79 0.417 -4.370 -23.821 610 H ILE 80 H ILE 80 5.382 -1.075 -22.814 611 HA ILE 80 HA ILE 80 7.462 -0.759 -24.863 612 HB ILE 80 HB ILE 80 8.676 -0.238 -22.474 613 1HG1 ILE 80 1HG1 ILE 80 7.062 1.505 -21.454 614 2HG1 ILE 80 2HG1 ILE 80 5.789 0.616 -22.267 615 1HG2 ILE 80 2HG2 ILE 80 7.443 1.495 -24.598 616 2HG2 ILE 80 3HG2 ILE 80 8.244 2.224 -23.186 617 3HG2 ILE 80 1HG2 ILE 80 9.155 1.143 -24.268 618 1HD1 ILE 80 1HD1 ILE 80 7.812 -0.636 -20.353 619 2HD1 ILE 80 2HD1 ILE 80 6.152 -0.166 -19.916 620 3HD1 ILE 80 3HD1 ILE 80 6.427 -1.460 -21.106 621 H GLY 81 H GLY 81 6.066 -2.807 -22.374 622 1HA GLY 81 2HA GLY 81 8.229 -4.397 -21.670 623 2HA GLY 81 1HA GLY 81 7.621 -5.034 -23.185 624 H GLU 82 H GLU 82 7.553 -6.235 -20.442 625 HA GLU 82 HA GLU 82 4.788 -6.078 -19.713 626 1HB GLU 82 1HB GLU 82 5.702 -8.875 -20.286 627 2HB GLU 82 2HB GLU 82 4.091 -8.191 -20.365 628 1HG GLU 82 1HG GLU 82 4.692 -6.969 -22.450 629 2HG GLU 82 2HG GLU 82 6.327 -7.595 -22.363 630 H LEU 83 H LEU 83 4.366 -7.669 -17.780 631 HA LEU 83 HA LEU 83 6.445 -7.209 -15.903 632 1HB LEU 83 1HB LEU 83 4.049 -7.087 -15.379 633 2HB LEU 83 2HB LEU 83 3.887 -8.806 -15.687 634 HG LEU 83 HG LEU 83 4.601 -9.361 -13.644 635 1HD1 LEU 83 1HD1 LEU 83 6.822 -7.431 -14.203 636 2HD1 LEU 83 2HD1 LEU 83 6.571 -8.016 -12.542 637 3HD1 LEU 83 3HD1 LEU 83 6.880 -9.176 -13.857 638 1HD2 LEU 83 2HD2 LEU 83 3.816 -6.514 -13.459 639 2HD2 LEU 83 3HD2 LEU 83 3.186 -7.947 -12.608 640 3HD2 LEU 83 1HD2 LEU 83 4.692 -7.174 -12.056 641 H HIS 84 H HIS 84 8.134 -8.484 -15.336 642 HA HIS 84 HA HIS 84 8.528 -10.887 -16.806 643 1HB HIS 84 1HB HIS 84 10.131 -8.993 -15.494 644 2HB HIS 84 2HB HIS 84 10.368 -10.476 -14.593 645 HD1 HIS 84 HD1 HIS 84 9.632 -11.069 -18.169 646 HD2 HIS 84 HD2 HIS 84 13.027 -10.412 -15.794 647 HE1 HIS 84 HE1 HIS 84 11.638 -11.787 -19.576 648 HE2 HIS 84 HE2 HIS 84 13.697 -11.307 -18.084 649 HA PRO 85 HA PRO 85 7.453 -13.818 -13.782 650 1HB PRO 85 1HB PRO 85 9.610 -15.438 -13.344 651 2HB PRO 85 2HB PRO 85 8.587 -15.567 -14.761 652 1HG PRO 85 1HG PRO 85 11.306 -14.429 -14.535 653 2HG PRO 85 2HG PRO 85 10.449 -14.949 -15.973 654 1HD PRO 85 1HD PRO 85 10.858 -12.246 -15.104 655 2HD PRO 85 2HD PRO 85 9.907 -12.773 -16.477 656 H ASP 86 H ASP 86 9.184 -11.333 -12.881 657 HA ASP 86 HA ASP 86 10.048 -12.238 -10.348 658 1HB ASP 86 1HB ASP 86 11.254 -10.356 -10.896 659 2HB ASP 86 2HB ASP 86 9.966 -9.695 -11.883 660 H ASP 87 H ASP 87 7.069 -11.038 -11.800 661 HA ASP 87 HA ASP 87 5.622 -11.567 -9.467 662 1HB ASP 87 1HB ASP 87 6.277 -8.694 -10.144 663 2HB ASP 87 2HB ASP 87 4.685 -9.051 -9.510 664 H ARG 88 H ARG 88 4.825 -12.844 -11.448 665 HA ARG 88 HA ARG 88 3.441 -11.257 -13.392 666 1HB ARG 88 1HB ARG 88 3.607 -14.299 -13.104 667 2HB ARG 88 2HB ARG 88 3.008 -13.439 -14.510 668 1HG ARG 88 1HG ARG 88 5.795 -12.830 -13.496 669 2HG ARG 88 2HG ARG 88 5.530 -14.296 -14.420 670 1HD ARG 88 1HD ARG 88 4.828 -11.466 -15.346 671 2HD ARG 88 2HD ARG 88 6.203 -12.405 -15.895 672 HE ARG 88 HE ARG 88 3.442 -12.711 -16.762 673 1HH1 ARG 88 2HH1 ARG 88 2.959 -14.311 -18.322 674 2HH1 ARG 88 1HH1 ARG 88 4.094 -15.578 -18.643 675 1HH2 ARG 88 2HH2 ARG 88 6.473 -14.441 -16.307 676 2HH2 ARG 88 1HH2 ARG 88 6.107 -15.654 -17.488 677 H SER 89 H SER 89 2.498 -14.257 -11.552 678 HA SER 89 HA SER 89 -0.210 -13.714 -11.744 679 1HB SER 89 1HB SER 89 0.546 -15.970 -11.339 680 2HB SER 89 2HB SER 89 1.405 -15.499 -9.887 681 HG SER 89 HG SER 89 -0.681 -16.555 -9.481 682 H LYS 90 H LYS 90 2.195 -12.139 -9.940 683 HA LYS 90 HA LYS 90 0.698 -11.660 -7.560 684 1HB LYS 90 1HB LYS 90 3.340 -10.963 -8.663 685 2HB LYS 90 2HB LYS 90 2.631 -9.705 -7.673 686 1HG LYS 90 1HG LYS 90 3.091 -10.873 -5.785 687 2HG LYS 90 2HG LYS 90 2.162 -12.241 -6.366 688 1HD LYS 90 1HD LYS 90 4.067 -13.225 -7.449 689 2HD LYS 90 2HD LYS 90 4.988 -11.736 -7.369 690 1HE LYS 90 1HE LYS 90 5.418 -11.965 -5.046 691 2HE LYS 90 2HE LYS 90 4.058 -13.041 -4.797 692 1HZ LYS 90 3HZ LYS 90 6.142 -13.933 -6.597 693 2HZ LYS 90 1HZ LYS 90 6.487 -13.923 -5.001 694 3HZ LYS 90 2HZ LYS 90 5.226 -14.798 -5.557 695 H ILE 91 H ILE 91 0.785 -10.359 -10.811 696 HA ILE 91 HA ILE 91 -1.006 -8.217 -9.899 697 HB ILE 91 HB ILE 91 -0.025 -6.662 -11.248 698 1HG1 ILE 91 1HG1 ILE 91 1.419 -8.774 -12.868 699 2HG1 ILE 91 2HG1 ILE 91 -0.164 -8.156 -13.291 700 1HG2 ILE 91 3HG2 ILE 91 1.517 -7.499 -9.418 701 2HG2 ILE 91 1HG2 ILE 91 2.407 -8.366 -10.692 702 3HG2 ILE 91 2HG2 ILE 91 2.282 -6.591 -10.745 703 1HD1 ILE 91 1HD1 ILE 91 1.976 -6.127 -12.708 704 2HD1 ILE 91 2HD1 ILE 91 2.092 -7.035 -14.234 705 3HD1 ILE 91 3HD1 ILE 91 0.643 -6.063 -13.885 706 H THR 92 H THR 92 -0.135 -10.709 -12.303 707 HA THR 92 HA THR 92 -1.749 -10.420 -14.356 708 HB THR 92 HB THR 92 -0.399 -12.506 -13.283 709 HG1 THR 92 HG1 THR 92 -1.476 -13.661 -15.084 710 1HG2 THR 92 3HG2 THR 92 -2.336 -13.008 -11.673 711 2HG2 THR 92 1HG2 THR 92 -3.337 -13.342 -13.107 712 3HG2 THR 92 2HG2 THR 92 -1.909 -14.348 -12.764 713 H LYS 93 H LYS 93 -3.898 -10.558 -15.001 714 HA LYS 93 HA LYS 93 -5.937 -11.200 -13.136 715 1HB LYS 93 1HB LYS 93 -5.082 -8.387 -13.360 716 2HB LYS 93 2HB LYS 93 -6.798 -8.633 -13.615 717 1HG LYS 93 1HG LYS 93 -5.922 -10.271 -11.376 718 2HG LYS 93 2HG LYS 93 -5.380 -8.625 -11.128 719 1HD LYS 93 1HD LYS 93 -7.792 -7.891 -11.735 720 2HD LYS 93 2HD LYS 93 -8.235 -9.581 -11.597 721 1HE LYS 93 1HE LYS 93 -8.618 -8.997 -9.398 722 2HE LYS 93 2HE LYS 93 -6.904 -9.325 -9.243 723 1HZ LYS 93 1HZ LYS 93 -7.735 -6.661 -10.054 724 2HZ LYS 93 2HZ LYS 93 -7.885 -7.082 -8.482 725 3HZ LYS 93 3HZ LYS 93 -6.419 -7.120 -9.202 726 HA PRO 94 HA PRO 94 -7.179 -11.853 -17.323 727 1HB PRO 94 1HB PRO 94 -8.764 -14.025 -16.831 728 2HB PRO 94 2HB PRO 94 -7.052 -14.147 -17.185 729 1HG PRO 94 1HG PRO 94 -8.435 -14.447 -14.590 730 2HG PRO 94 2HG PRO 94 -6.826 -14.973 -15.043 731 1HD PRO 94 1HD PRO 94 -7.498 -12.687 -13.448 732 2HD PRO 94 2HD PRO 94 -5.900 -13.146 -13.998 733 H SER 95 H SER 95 -9.561 -12.364 -14.754 734 HA SER 95 HA SER 95 -11.031 -10.145 -15.762 735 1HB SER 95 1HB SER 95 -13.118 -11.416 -16.216 736 2HB SER 95 2HB SER 95 -11.831 -11.868 -17.315 737 HG SER 95 HG SER 95 -12.158 -13.362 -14.893 738 H GLU 96 H GLU 96 -12.912 -9.629 -14.298 739 HA GLU 96 HA GLU 96 -13.601 -11.087 -12.117 740 1HB GLU 96 1HB GLU 96 -10.965 -10.258 -11.750 741 2HB GLU 96 2HB GLU 96 -11.872 -9.037 -10.878 742 1HG GLU 96 1HG GLU 96 -13.160 -10.976 -9.760 743 2HG GLU 96 2HG GLU 96 -11.972 -12.056 -10.463 744 H SER 97 H SER 97 -15.409 -10.111 -11.215 745 HA SER 97 HA SER 97 -15.791 -7.333 -12.005 746 1HB SER 97 1HB SER 97 -17.790 -9.573 -11.481 747 2HB SER 97 2HB SER 97 -18.273 -7.898 -11.662 748 HG SER 97 HG SER 97 -17.985 -8.011 -13.791 749 H ILE 98 H ILE 98 -17.203 -6.025 -10.422 750 HA ILE 98 HA ILE 98 -17.100 -6.997 -7.693 751 HB ILE 98 HB ILE 98 -14.898 -5.868 -8.261 752 1HG1 ILE 98 1HG1 ILE 98 -16.132 -4.346 -6.026 753 2HG1 ILE 98 2HG1 ILE 98 -16.275 -6.091 -5.944 754 1HG2 ILE 98 3HG2 ILE 98 -16.616 -3.848 -9.217 755 2HG2 ILE 98 1HG2 ILE 98 -15.834 -3.193 -7.759 756 3HG2 ILE 98 2HG2 ILE 98 -14.840 -3.817 -9.098 757 1HD1 ILE 98 3HD1 ILE 98 -13.580 -5.378 -6.782 758 2HD1 ILE 98 1HD1 ILE 98 -14.004 -4.520 -5.280 759 3HD1 ILE 98 2HD1 ILE 98 -14.100 -6.296 -5.348 760 H ILE 99 H ILE 99 -18.329 -5.482 -6.210 761 HA ILE 99 HA ILE 99 -20.636 -4.520 -7.687 762 HB ILE 99 HB ILE 99 -21.711 -4.446 -5.509 763 1HG1 ILE 99 1HG1 ILE 99 -19.946 -5.784 -3.794 764 2HG1 ILE 99 2HG1 ILE 99 -18.969 -4.536 -4.540 765 1HG2 ILE 99 3HG2 ILE 99 -20.910 -6.710 -6.920 766 2HG2 ILE 99 1HG2 ILE 99 -20.576 -7.103 -5.217 767 3HG2 ILE 99 2HG2 ILE 99 -22.211 -6.602 -5.710 768 1HD1 ILE 99 1HD1 ILE 99 -21.731 -3.851 -3.503 769 2HD1 ILE 99 2HD1 ILE 99 -20.353 -3.956 -2.381 770 3HD1 ILE 99 3HD1 ILE 99 -20.323 -2.786 -3.721 771 H THR 100 H THR 100 -21.591 -2.386 -7.192 772 HA THR 100 HA THR 100 -20.065 -0.433 -5.818 773 HB THR 100 HB THR 100 -18.631 -0.753 -7.870 774 HG1 THR 100 HG1 THR 100 -18.525 1.389 -7.256 775 1HG2 THR 100 3HG2 THR 100 -20.839 -1.168 -9.342 776 2HG2 THR 100 1HG2 THR 100 -20.815 0.607 -9.462 777 3HG2 THR 100 2HG2 THR 100 -19.427 -0.343 -10.046 778 H THR 101 H THR 101 -21.078 1.733 -5.939 779 HA THR 101 HA THR 101 -23.898 1.481 -6.757 780 HB THR 101 HB THR 101 -23.462 1.387 -4.250 781 HG1 THR 101 HG1 THR 101 -25.107 3.067 -3.958 782 1HG2 THR 101 1HG2 THR 101 -21.515 3.024 -4.232 783 2HG2 THR 101 2HG2 THR 101 -22.657 4.310 -4.688 784 3HG2 THR 101 3HG2 THR 101 -22.829 3.482 -3.121 785 H ILE 102 H ILE 102 -24.979 3.595 -7.206 786 HA ILE 102 HA ILE 102 -23.049 5.558 -8.210 787 HB ILE 102 HB ILE 102 -23.804 4.033 -10.024 788 1HG1 ILE 102 1HG1 ILE 102 -24.638 6.007 -11.509 789 2HG1 ILE 102 2HG1 ILE 102 -24.359 6.993 -10.087 790 1HG2 ILE 102 3HG2 ILE 102 -26.348 4.435 -8.847 791 2HG2 ILE 102 1HG2 ILE 102 -26.400 5.169 -10.468 792 3HG2 ILE 102 2HG2 ILE 102 -25.930 3.463 -10.279 793 1HD1 ILE 102 3HD1 ILE 102 -22.233 5.097 -11.159 794 2HD1 ILE 102 1HD1 ILE 102 -22.392 6.772 -11.737 795 3HD1 ILE 102 2HD1 ILE 102 -22.023 6.453 -10.026 796 H ASP 103 H ASP 103 -23.783 7.740 -8.168 797 HA ASP 103 HA ASP 103 -26.403 8.128 -7.012 798 1HB ASP 103 1HB ASP 103 -24.097 8.207 -5.432 799 2HB ASP 103 2HB ASP 103 -24.323 9.893 -5.849 800 H SER 104 H SER 104 -23.275 9.718 -8.009 801 HA SER 104 HA SER 104 -24.059 12.176 -8.574 802 1HB SER 104 1HB SER 104 -21.776 11.534 -8.949 803 2HB SER 104 2HB SER 104 -22.224 10.337 -10.150 804 HG SER 104 HG SER 104 -21.401 12.223 -11.189 No H/Q in entry = 804 Start of MODEL 16 1 H ALA 1 H ALA 1 34.435 -1.709 -31.023 2 HA ALA 1 HA ALA 1 34.372 -4.074 -30.627 3 1HB ALA 1 3HB ALA 1 33.554 -2.255 -28.341 4 2HB ALA 1 1HB ALA 1 33.937 -3.976 -28.088 5 3HB ALA 1 2HB ALA 1 35.174 -2.874 -28.742 6 H GLU 2 H GLU 2 31.430 -2.580 -29.088 7 HA GLU 2 HA GLU 2 29.617 -4.042 -30.523 8 1HB GLU 2 1HB GLU 2 30.953 -5.836 -28.961 9 2HB GLU 2 2HB GLU 2 29.693 -5.363 -27.841 10 1HG GLU 2 1HG GLU 2 28.126 -5.711 -30.005 11 2HG GLU 2 2HG GLU 2 29.443 -6.754 -30.504 12 H GLU 3 H GLU 3 27.372 -3.833 -29.599 13 HA GLU 3 HA GLU 3 26.775 -2.717 -27.217 14 1HB GLU 3 1HB GLU 3 28.115 -0.776 -28.823 15 2HB GLU 3 2HB GLU 3 26.425 -0.310 -28.808 16 1HG GLU 3 1HG GLU 3 26.363 -0.184 -26.406 17 2HG GLU 3 2HG GLU 3 27.866 -1.070 -26.237 18 H SER 4 H SER 4 24.616 -3.148 -27.045 19 HA SER 4 HA SER 4 22.758 -2.253 -28.879 20 1HB SER 4 1HB SER 4 22.087 -4.220 -30.075 21 2HB SER 4 2HB SER 4 23.824 -4.096 -30.277 22 HG SER 4 HG SER 4 23.641 -5.542 -28.111 23 H SER 5 H SER 5 21.047 -1.922 -27.509 24 HA SER 5 HA SER 5 19.850 -3.976 -26.117 25 1HB SER 5 1HB SER 5 20.481 -3.697 -23.858 26 2HB SER 5 2HB SER 5 22.005 -3.644 -24.718 27 HG SER 5 HG SER 5 20.478 -1.340 -23.841 28 H LYS 6 H LYS 6 17.742 -3.284 -26.064 29 HA LYS 6 HA LYS 6 16.968 -0.845 -24.953 30 1HB LYS 6 1HB LYS 6 16.296 0.443 -26.867 31 2HB LYS 6 2HB LYS 6 18.008 0.098 -26.994 32 1HG LYS 6 1HG LYS 6 17.390 -1.912 -28.470 33 2HG LYS 6 2HG LYS 6 15.743 -1.313 -28.474 34 1HD LYS 6 1HD LYS 6 16.777 0.956 -29.277 35 2HD LYS 6 2HD LYS 6 18.223 0.025 -29.619 36 1HE LYS 6 1HE LYS 6 17.287 -0.488 -31.626 37 2HE LYS 6 2HE LYS 6 16.189 -1.538 -30.753 38 1HZ LYS 6 3HZ LYS 6 14.986 0.757 -30.399 39 2HZ LYS 6 1HZ LYS 6 15.720 1.098 -31.816 40 3HZ LYS 6 2HZ LYS 6 14.707 -0.178 -31.709 41 H ALA 7 H ALA 7 14.557 -0.525 -25.188 42 HA ALA 7 HA ALA 7 12.468 -1.281 -25.414 43 1HB ALA 7 2HB ALA 7 13.775 -2.683 -27.444 44 2HB ALA 7 3HB ALA 7 12.971 -3.957 -26.495 45 3HB ALA 7 1HB ALA 7 12.017 -2.617 -27.175 46 H VAL 8 H VAL 8 12.248 -1.370 -23.154 47 HA VAL 8 HA VAL 8 13.330 -3.008 -21.365 48 HB VAL 8 HB VAL 8 11.911 -1.573 -20.377 49 1HG1 VAL 8 1HG1 VAL 8 10.406 -1.826 -22.897 50 2HG1 VAL 8 2HG1 VAL 8 9.391 -1.512 -21.469 51 3HG1 VAL 8 3HG1 VAL 8 10.717 -0.398 -21.882 52 1HG2 VAL 8 1HG2 VAL 8 10.201 -4.052 -20.702 53 2HG2 VAL 8 2HG2 VAL 8 11.262 -3.616 -19.342 54 3HG2 VAL 8 3HG2 VAL 8 9.765 -2.699 -19.632 55 H LYS 9 H LYS 9 10.216 -3.859 -23.048 56 HA LYS 9 HA LYS 9 9.465 -5.812 -23.784 57 1HB LYS 9 1HB LYS 9 12.322 -6.254 -23.751 58 2HB LYS 9 2HB LYS 9 11.486 -7.724 -23.298 59 1HG LYS 9 1HG LYS 9 10.293 -6.227 -25.597 60 2HG LYS 9 2HG LYS 9 11.873 -6.925 -25.895 61 1HD LYS 9 1HD LYS 9 11.003 -9.149 -25.057 62 2HD LYS 9 2HD LYS 9 9.415 -8.432 -24.885 63 1HE LYS 9 1HE LYS 9 9.570 -7.791 -27.383 64 2HE LYS 9 2HE LYS 9 10.996 -8.809 -27.466 65 1HZ LYS 9 3HZ LYS 9 9.629 -10.631 -26.628 66 2HZ LYS 9 1HZ LYS 9 8.306 -9.674 -26.656 67 3HZ LYS 9 2HZ LYS 9 9.069 -10.053 -28.049 68 H TYR 10 H TYR 10 11.606 -6.467 -20.916 69 HA TYR 10 HA TYR 10 9.196 -7.328 -19.494 70 1HB TYR 10 1HB TYR 10 11.486 -8.924 -18.733 71 2HB TYR 10 2HB TYR 10 10.037 -9.493 -19.538 72 HD1 TYR 10 HD1 TYR 10 13.387 -7.986 -20.199 73 HD2 TYR 10 HD2 TYR 10 10.117 -10.253 -21.770 74 HE1 TYR 10 HE1 TYR 10 14.743 -8.508 -22.286 75 HE2 TYR 10 HE2 TYR 10 11.483 -10.768 -23.852 76 HH TYR 10 HH TYR 10 14.276 -9.091 -24.633 77 H TYR 11 H TYR 11 9.041 -6.266 -17.586 78 HA TYR 11 HA TYR 11 11.562 -5.468 -16.300 79 1HB TYR 11 1HB TYR 11 9.185 -3.972 -17.303 80 2HB TYR 11 2HB TYR 11 9.482 -3.645 -15.608 81 HD1 TYR 11 HD1 TYR 11 9.680 -1.688 -17.981 82 HD2 TYR 11 HD2 TYR 11 12.604 -4.038 -15.925 83 HE1 TYR 11 HE1 TYR 11 11.482 -0.011 -18.617 84 HE2 TYR 11 HE2 TYR 11 14.398 -2.355 -16.567 85 HH TYR 11 HH TYR 11 14.127 0.410 -17.199 86 H THR 12 H THR 12 11.139 -4.842 -13.906 87 HA THR 12 HA THR 12 9.269 -6.836 -12.812 88 HB THR 12 HB THR 12 10.849 -7.049 -10.987 89 HG1 THR 12 HG1 THR 12 12.255 -4.836 -12.293 90 1HG2 THR 12 3HG2 THR 12 12.441 -6.580 -13.565 91 2HG2 THR 12 1HG2 THR 12 13.075 -7.383 -12.108 92 3HG2 THR 12 2HG2 THR 12 11.754 -8.134 -13.036 93 H LEU 13 H LEU 13 8.016 -6.312 -10.941 94 HA LEU 13 HA LEU 13 6.672 -3.949 -11.111 95 1HB LEU 13 1HB LEU 13 6.975 -6.097 -9.108 96 2HB LEU 13 2HB LEU 13 6.369 -4.575 -8.487 97 HG LEU 13 HG LEU 13 5.135 -6.398 -10.544 98 1HD1 LEU 13 2HD1 LEU 13 4.674 -5.750 -7.763 99 2HD1 LEU 13 3HD1 LEU 13 3.226 -5.414 -8.743 100 3HD1 LEU 13 1HD1 LEU 13 3.961 -7.034 -8.770 101 1HD2 LEU 13 2HD2 LEU 13 4.705 -3.444 -10.217 102 2HD2 LEU 13 3HD2 LEU 13 4.817 -4.422 -11.700 103 3HD2 LEU 13 1HD2 LEU 13 3.354 -4.502 -10.690 104 H GLU 14 H GLU 14 9.701 -4.692 -9.358 105 HA GLU 14 HA GLU 14 9.745 -2.369 -7.844 106 1HB GLU 14 1HB GLU 14 11.441 -4.627 -8.331 107 2HB GLU 14 2HB GLU 14 12.427 -3.195 -8.559 108 1HG GLU 14 1HG GLU 14 12.621 -3.115 -6.295 109 2HG GLU 14 2HG GLU 14 10.957 -2.563 -6.264 110 H GLU 15 H GLU 15 11.144 -3.166 -11.090 111 HA GLU 15 HA GLU 15 12.441 -0.775 -11.469 112 1HB GLU 15 1HB GLU 15 12.760 -2.775 -12.890 113 2HB GLU 15 2HB GLU 15 11.135 -2.614 -13.523 114 1HG GLU 15 1HG GLU 15 11.992 -1.295 -15.159 115 2HG GLU 15 2HG GLU 15 12.264 -0.068 -13.939 116 H ILE 16 H ILE 16 9.033 -1.737 -12.151 117 HA ILE 16 HA ILE 16 8.374 0.698 -13.429 118 HB ILE 16 HB ILE 16 6.505 -1.247 -12.084 119 1HG1 ILE 16 1HG1 ILE 16 7.005 -1.604 -14.962 120 2HG1 ILE 16 2HG1 ILE 16 8.394 -1.972 -13.958 121 1HG2 ILE 16 3HG2 ILE 16 5.988 1.159 -13.313 122 2HG2 ILE 16 1HG2 ILE 16 5.737 -0.013 -14.628 123 3HG2 ILE 16 2HG2 ILE 16 4.832 -0.177 -13.105 124 1HD1 ILE 16 2HD1 ILE 16 5.891 -3.033 -12.817 125 2HD1 ILE 16 3HD1 ILE 16 6.237 -3.675 -14.442 126 3HD1 ILE 16 1HD1 ILE 16 7.433 -3.863 -13.137 127 H GLN 17 H GLN 17 8.153 -0.551 -10.059 128 HA GLN 17 HA GLN 17 6.657 1.465 -9.002 129 1HB GLN 17 1HB GLN 17 7.816 -0.761 -8.004 130 2HB GLN 17 2HB GLN 17 8.958 0.414 -7.382 131 1HG GLN 17 1HG GLN 17 6.106 1.190 -7.031 132 2HG GLN 17 2HG GLN 17 6.563 -0.263 -6.165 133 1HE2 GLN 17 1HE2 GLN 17 5.842 2.340 -5.136 134 2HE2 GLN 17 2HE2 GLN 17 7.164 2.921 -4.181 135 H LYS 18 H LYS 18 9.804 1.636 -10.411 136 HA LYS 18 HA LYS 18 10.566 3.979 -8.880 137 1HB LYS 18 1HB LYS 18 12.677 3.546 -9.537 138 2HB LYS 18 2HB LYS 18 12.040 1.948 -9.867 139 1HG LYS 18 1HG LYS 18 11.495 2.782 -12.243 140 2HG LYS 18 2HG LYS 18 12.421 4.221 -11.863 141 1HD LYS 18 1HD LYS 18 14.000 1.941 -11.078 142 2HD LYS 18 2HD LYS 18 13.392 1.629 -12.691 143 1HE LYS 18 1HE LYS 18 14.581 3.383 -13.638 144 2HE LYS 18 2HE LYS 18 14.445 4.393 -12.212 145 1HZ LYS 18 1HZ LYS 18 15.946 2.222 -11.473 146 2HZ LYS 18 2HZ LYS 18 16.527 2.669 -12.933 147 3HZ LYS 18 3HZ LYS 18 16.474 3.750 -11.709 148 H HIS 19 H HIS 19 9.575 3.019 -12.214 149 HA HIS 19 HA HIS 19 9.684 5.751 -13.079 150 1HB HIS 19 1HB HIS 19 8.719 3.213 -14.425 151 2HB HIS 19 2HB HIS 19 8.754 4.785 -15.200 152 HD1 HIS 19 HD1 HIS 19 11.109 5.793 -15.799 153 HD2 HIS 19 HD2 HIS 19 11.217 1.936 -14.156 154 HE1 HIS 19 HE1 HIS 19 13.460 4.897 -16.231 155 HE2 HIS 19 HE2 HIS 19 13.483 2.547 -15.150 156 H ASN 20 H ASN 20 8.231 6.824 -11.630 157 HA ASN 20 HA ASN 20 5.455 6.170 -12.226 158 1HB ASN 20 1HB ASN 20 6.172 7.464 -9.590 159 2HB ASN 20 2HB ASN 20 4.824 6.407 -9.966 160 1HD2 ASN 20 1HD2 ASN 20 6.144 4.332 -11.255 161 2HD2 ASN 20 2HD2 ASN 20 7.138 3.467 -10.130 162 H ASN 21 H ASN 21 7.864 8.238 -12.895 163 HA ASN 21 HA ASN 21 6.341 10.648 -12.337 164 1HB ASN 21 1HB ASN 21 9.214 10.393 -13.366 165 2HB ASN 21 2HB ASN 21 8.446 11.864 -12.803 166 1HD2 ASN 21 1HD2 ASN 21 10.722 9.889 -11.966 167 2HD2 ASN 21 2HD2 ASN 21 10.553 9.767 -10.246 168 H SER 22 H SER 22 6.092 12.230 -14.167 169 HA SER 22 HA SER 22 5.228 11.050 -16.475 170 1HB SER 22 1HB SER 22 4.463 13.256 -15.866 171 2HB SER 22 2HB SER 22 6.092 13.900 -15.857 172 HG SER 22 HG SER 22 6.195 13.717 -18.132 173 H LYS 23 H LYS 23 8.440 11.505 -15.391 174 HA LYS 23 HA LYS 23 9.730 12.112 -17.810 175 1HB LYS 23 1HB LYS 23 10.462 11.282 -15.085 176 2HB LYS 23 2HB LYS 23 11.563 10.693 -16.314 177 1HG LYS 23 1HG LYS 23 12.333 12.797 -16.830 178 2HG LYS 23 2HG LYS 23 10.746 13.527 -16.694 179 1HD LYS 23 1HD LYS 23 11.448 12.697 -14.055 180 2HD LYS 23 2HD LYS 23 12.891 13.433 -14.722 181 1HE LYS 23 1HE LYS 23 10.281 14.870 -15.167 182 2HE LYS 23 2HE LYS 23 10.944 14.894 -13.546 183 1HZ LYS 23 3HZ LYS 23 12.913 15.411 -15.518 184 2HZ LYS 23 1HZ LYS 23 11.693 16.494 -15.580 185 3HZ LYS 23 2HZ LYS 23 12.522 16.277 -14.190 186 H SER 24 H SER 24 8.551 9.083 -16.317 187 HA SER 24 HA SER 24 8.683 7.837 -18.855 188 1HB SER 24 1HB SER 24 10.830 7.366 -16.887 189 2HB SER 24 2HB SER 24 10.035 5.882 -17.375 190 HG SER 24 HG SER 24 10.818 7.778 -19.380 191 H THR 25 H THR 25 6.593 8.553 -17.036 192 HA THR 25 HA THR 25 5.764 6.815 -15.157 193 HB THR 25 HB THR 25 4.087 8.021 -17.422 194 HG1 THR 25 HG1 THR 25 3.991 9.715 -15.621 195 1HG2 THR 25 2HG2 THR 25 3.169 6.360 -15.423 196 2HG2 THR 25 3HG2 THR 25 3.150 7.929 -14.581 197 3HG2 THR 25 1HG2 THR 25 2.221 7.715 -16.083 198 H TRP 26 H TRP 26 5.918 4.663 -15.059 199 HA TRP 26 HA TRP 26 5.013 3.190 -17.440 200 1HB TRP 26 1HB TRP 26 7.185 2.480 -15.463 201 2HB TRP 26 2HB TRP 26 6.539 1.376 -16.661 202 HD1 TRP 26 HD1 TRP 26 6.491 4.216 -18.737 203 HE1 TRP 26 HE1 TRP 26 8.692 4.712 -20.104 204 HE3 TRP 26 HE3 TRP 26 9.541 1.315 -15.885 205 HZ2 TRP 26 HZ2 TRP 26 11.402 3.856 -19.844 206 HZ3 TRP 26 HZ3 TRP 26 11.951 1.199 -16.510 207 HH2 TRP 26 HH2 TRP 26 12.894 2.411 -18.414 208 H LEU 27 H LEU 27 3.801 1.204 -16.963 209 HA LEU 27 HA LEU 27 3.082 0.639 -14.262 210 1HB LEU 27 1HB LEU 27 0.937 1.402 -14.146 211 2HB LEU 27 2HB LEU 27 1.734 2.722 -14.978 212 HG LEU 27 HG LEU 27 -0.224 2.503 -16.174 213 1HD1 LEU 27 1HD1 LEU 27 2.051 2.012 -17.503 214 2HD1 LEU 27 2HD1 LEU 27 1.163 0.522 -17.900 215 3HD1 LEU 27 3HD1 LEU 27 0.461 2.110 -18.296 216 1HD2 LEU 27 3HD2 LEU 27 -0.378 -0.025 -15.012 217 2HD2 LEU 27 1HD2 LEU 27 -1.590 0.753 -16.058 218 3HD2 LEU 27 2HD2 LEU 27 -0.374 -0.336 -16.765 219 H ILE 28 H ILE 28 1.113 -1.067 -14.392 220 HA ILE 28 HA ILE 28 1.793 -2.808 -16.658 221 HB ILE 28 HB ILE 28 0.658 -4.018 -14.226 222 1HG1 ILE 28 1HG1 ILE 28 2.282 -2.143 -13.461 223 2HG1 ILE 28 2HG1 ILE 28 2.435 -3.748 -12.777 224 1HG2 ILE 28 1HG2 ILE 28 2.575 -4.669 -16.397 225 2HG2 ILE 28 2HG2 ILE 28 2.860 -5.436 -14.816 226 3HG2 ILE 28 3HG2 ILE 28 1.301 -5.658 -15.646 227 1HD1 ILE 28 3HD1 ILE 28 3.986 -3.357 -15.281 228 2HD1 ILE 28 1HD1 ILE 28 4.509 -2.338 -13.918 229 3HD1 ILE 28 2HD1 ILE 28 4.476 -4.110 -13.744 230 H LEU 29 H LEU 29 0.131 -3.715 -17.865 231 HA LEU 29 HA LEU 29 -2.588 -3.184 -16.946 232 1HB LEU 29 1HB LEU 29 -1.320 -1.584 -18.834 233 2HB LEU 29 2HB LEU 29 -2.271 -2.699 -19.797 234 HG LEU 29 HG LEU 29 -3.169 -0.585 -17.884 235 1HD1 LEU 29 3HD1 LEU 29 -3.091 -0.253 -20.358 236 2HD1 LEU 29 1HD1 LEU 29 -4.333 -1.519 -20.518 237 3HD1 LEU 29 2HD1 LEU 29 -4.700 -0.018 -19.634 238 1HD2 LEU 29 1HD2 LEU 29 -4.516 -3.233 -18.267 239 2HD2 LEU 29 2HD2 LEU 29 -4.358 -2.232 -16.805 240 3HD2 LEU 29 3HD2 LEU 29 -5.504 -1.764 -18.085 241 H HIS 30 H HIS 30 -3.555 -5.132 -16.854 242 HA HIS 30 HA HIS 30 -4.320 -7.088 -17.526 243 1HB HIS 30 1HB HIS 30 -4.207 -5.962 -19.859 244 2HB HIS 30 2HB HIS 30 -2.771 -6.933 -20.108 245 HD1 HIS 30 HD1 HIS 30 -3.172 -9.648 -19.781 246 HD2 HIS 30 HD2 HIS 30 -6.560 -7.261 -20.419 247 HE1 HIS 30 HE1 HIS 30 -5.031 -11.230 -20.524 248 HE2 HIS 30 HE2 HIS 30 -7.102 -9.712 -20.847 249 H TYR 31 H TYR 31 -0.857 -6.498 -18.383 250 HA TYR 31 HA TYR 31 0.203 -8.168 -16.504 251 1HB TYR 31 1HB TYR 31 -1.174 -9.582 -18.592 252 2HB TYR 31 2HB TYR 31 0.521 -9.722 -19.013 253 HD1 TYR 31 HD1 TYR 31 1.436 -9.656 -15.987 254 HD2 TYR 31 HD2 TYR 31 -1.424 -11.964 -18.179 255 HE1 TYR 31 HE1 TYR 31 1.689 -11.561 -14.323 256 HE2 TYR 31 HE2 TYR 31 -1.161 -13.862 -16.508 257 HH TYR 31 HH TYR 31 -0.085 -14.604 -14.784 258 H LYS 32 H LYS 32 0.264 -6.290 -19.366 259 HA LYS 32 HA LYS 32 3.163 -6.616 -19.622 260 1HB LYS 32 1HB LYS 32 1.169 -5.309 -21.495 261 2HB LYS 32 2HB LYS 32 2.889 -5.471 -21.784 262 1HG LYS 32 1HG LYS 32 2.573 -7.559 -22.605 263 2HG LYS 32 2HG LYS 32 1.912 -8.078 -21.067 264 1HD LYS 32 1HD LYS 32 -0.319 -7.662 -21.724 265 2HD LYS 32 2HD LYS 32 0.147 -6.500 -22.949 266 1HE LYS 32 1HE LYS 32 -0.221 -8.243 -24.398 267 2HE LYS 32 2HE LYS 32 1.400 -8.726 -23.939 268 1HZ LYS 32 3HZ LYS 32 0.088 -9.858 -22.009 269 2HZ LYS 32 1HZ LYS 32 -1.137 -9.828 -23.088 270 3HZ LYS 32 2HZ LYS 32 0.257 -10.593 -23.459 271 H VAL 33 H VAL 33 4.302 -4.419 -20.191 272 HA VAL 33 HA VAL 33 3.339 -2.481 -18.206 273 HB VAL 33 HB VAL 33 6.136 -2.943 -19.260 274 1HG1 VAL 33 1HG1 VAL 33 5.420 -0.617 -18.378 275 2HG1 VAL 33 2HG1 VAL 33 5.388 -1.398 -16.778 276 3HG1 VAL 33 3HG1 VAL 33 6.899 -1.355 -17.717 277 1HG2 VAL 33 1HG2 VAL 33 4.684 -4.536 -17.463 278 2HG2 VAL 33 2HG2 VAL 33 6.443 -4.545 -17.735 279 3HG2 VAL 33 3HG2 VAL 33 5.747 -3.535 -16.446 280 H TYR 34 H TYR 34 2.728 -0.483 -18.893 281 HA TYR 34 HA TYR 34 3.372 0.175 -21.688 282 1HB TYR 34 1HB TYR 34 1.047 1.048 -19.865 283 2HB TYR 34 2HB TYR 34 1.168 1.375 -21.583 284 HD1 TYR 34 HD1 TYR 34 1.223 -1.597 -19.278 285 HD2 TYR 34 HD2 TYR 34 -0.099 0.050 -23.000 286 HE1 TYR 34 HE1 TYR 34 -0.051 -3.739 -19.782 287 HE2 TYR 34 HE2 TYR 34 -1.368 -2.099 -23.491 288 HH TYR 34 HH TYR 34 -1.860 -4.490 -21.084 289 H ASP 35 H ASP 35 3.791 2.420 -22.194 290 HA ASP 35 HA ASP 35 5.079 3.717 -19.982 291 1HB ASP 35 1HB ASP 35 5.656 3.480 -22.682 292 2HB ASP 35 2HB ASP 35 4.957 5.087 -22.625 293 H LEU 36 H LEU 36 3.229 4.505 -18.750 294 HA LEU 36 HA LEU 36 1.012 5.744 -19.816 295 1HB LEU 36 1HB LEU 36 2.409 5.895 -17.164 296 2HB LEU 36 2HB LEU 36 1.007 6.894 -17.491 297 HG LEU 36 HG LEU 36 1.181 3.897 -17.288 298 1HD1 LEU 36 2HD1 LEU 36 0.285 6.011 -15.603 299 2HD1 LEU 36 3HD1 LEU 36 -1.129 5.035 -16.068 300 3HD1 LEU 36 1HD1 LEU 36 0.274 4.258 -15.299 301 1HD2 LEU 36 1HD2 LEU 36 -0.720 5.488 -18.937 302 2HD2 LEU 36 2HD2 LEU 36 -0.104 3.833 -19.160 303 3HD2 LEU 36 3HD2 LEU 36 -1.385 4.152 -17.966 304 H THR 37 H THR 37 4.311 6.949 -19.288 305 HA THR 37 HA THR 37 3.833 9.675 -19.352 306 HB THR 37 HB THR 37 6.070 7.769 -19.825 307 HG1 THR 37 HG1 THR 37 6.979 9.725 -18.563 308 1HG2 THR 37 3HG2 THR 37 6.151 10.634 -20.910 309 2HG2 THR 37 1HG2 THR 37 7.567 9.579 -20.691 310 3HG2 THR 37 2HG2 THR 37 6.320 9.158 -21.889 311 H LYS 38 H LYS 38 3.827 7.281 -21.993 312 HA LYS 38 HA LYS 38 3.807 9.280 -24.024 313 1HB LYS 38 1HB LYS 38 3.428 6.295 -23.942 314 2HB LYS 38 2HB LYS 38 3.052 7.194 -25.399 315 1HG LYS 38 1HG LYS 38 5.308 8.007 -25.613 316 2HG LYS 38 2HG LYS 38 5.715 7.553 -23.970 317 1HD LYS 38 1HD LYS 38 5.510 5.151 -24.545 318 2HD LYS 38 2HD LYS 38 4.997 5.560 -26.170 319 1HE LYS 38 1HE LYS 38 7.133 6.073 -26.867 320 2HE LYS 38 2HE LYS 38 7.563 6.829 -25.347 321 1HZ LYS 38 2HZ LYS 38 7.156 4.080 -24.977 322 2HZ LYS 38 3HZ LYS 38 8.235 4.315 -26.180 323 3HZ LYS 38 1HZ LYS 38 8.503 4.962 -24.705 324 H PHE 39 H PHE 39 1.415 7.615 -22.001 325 HA PHE 39 HA PHE 39 -0.674 9.048 -23.487 326 1HB PHE 39 1HB PHE 39 -0.743 6.513 -23.562 327 2HB PHE 39 2HB PHE 39 -0.715 6.466 -21.810 328 HD1 PHE 39 HD1 PHE 39 -2.730 8.007 -24.556 329 HD2 PHE 39 HD2 PHE 39 -2.725 6.190 -20.720 330 HE1 PHE 39 HE1 PHE 39 -5.239 8.087 -24.513 331 HE2 PHE 39 HE2 PHE 39 -5.233 6.270 -20.678 332 HZ PHE 39 HZ PHE 39 -6.460 7.219 -22.575 333 H LEU 40 H LEU 40 0.883 10.352 -21.477 334 HA LEU 40 HA LEU 40 -0.685 10.197 -19.047 335 1HB LEU 40 1HB LEU 40 1.941 10.587 -19.490 336 2HB LEU 40 2HB LEU 40 1.413 12.257 -19.419 337 HG LEU 40 HG LEU 40 0.205 11.387 -17.195 338 1HD1 LEU 40 1HD1 LEU 40 2.394 9.401 -17.729 339 2HD1 LEU 40 2HD1 LEU 40 1.984 9.868 -16.062 340 3HD1 LEU 40 3HD1 LEU 40 0.746 9.140 -17.112 341 1HD2 LEU 40 3HD2 LEU 40 1.801 13.255 -17.390 342 2HD2 LEU 40 1HD2 LEU 40 2.067 12.280 -15.925 343 3HD2 LEU 40 2HD2 LEU 40 3.148 12.095 -17.327 344 H GLU 41 H GLU 41 0.232 12.719 -21.500 345 HA GLU 41 HA GLU 41 -1.334 14.709 -20.561 346 1HB GLU 41 1HB GLU 41 -1.338 15.576 -22.910 347 2HB GLU 41 2HB GLU 41 0.246 15.041 -22.386 348 1HG GLU 41 1HG GLU 41 -0.220 12.797 -23.503 349 2HG GLU 41 2HG GLU 41 -1.703 13.476 -24.140 350 H GLU 42 H GLU 42 -2.269 11.877 -22.561 351 HA GLU 42 HA GLU 42 -4.889 12.861 -22.994 352 1HB GLU 42 1HB GLU 42 -3.259 10.762 -24.003 353 2HB GLU 42 2HB GLU 42 -4.650 9.971 -23.290 354 1HG GLU 42 1HG GLU 42 -6.191 11.142 -24.690 355 2HG GLU 42 2HG GLU 42 -5.022 12.381 -25.101 356 H HIS 43 H HIS 43 -6.657 10.828 -22.449 357 HA HIS 43 HA HIS 43 -7.597 9.559 -20.853 358 1HB HIS 43 1HB HIS 43 -5.223 9.298 -19.873 359 2HB HIS 43 2HB HIS 43 -5.668 10.585 -18.770 360 HD1 HIS 43 HD1 HIS 43 -8.123 10.029 -17.457 361 HD2 HIS 43 HD2 HIS 43 -5.818 6.828 -18.885 362 HE1 HIS 43 HE1 HIS 43 -8.904 7.962 -16.182 363 HE2 HIS 43 HE2 HIS 43 -7.490 6.018 -17.141 364 HA PRO 44 HA PRO 44 -10.064 12.947 -19.666 365 1HB PRO 44 1HB PRO 44 -12.325 11.557 -19.019 366 2HB PRO 44 2HB PRO 44 -11.928 12.033 -20.658 367 1HG PRO 44 1HG PRO 44 -11.750 9.360 -19.412 368 2HG PRO 44 2HG PRO 44 -11.771 9.777 -21.113 369 1HD PRO 44 1HD PRO 44 -9.482 9.014 -19.561 370 2HD PRO 44 2HD PRO 44 -9.487 9.544 -21.233 371 H GLY 45 H GLY 45 -8.794 13.682 -17.934 372 1HA GLY 45 2HA GLY 45 -9.090 12.342 -15.402 373 2HA GLY 45 1HA GLY 45 -10.019 13.824 -15.516 374 H GLY 46 H GLY 46 -6.694 12.488 -16.056 375 1HA GLY 46 2HA GLY 46 -5.486 14.619 -14.602 376 2HA GLY 46 1HA GLY 46 -5.295 14.849 -16.330 377 H GLU 47 H GLU 47 -3.033 14.466 -16.364 378 HA GLU 47 HA GLU 47 -2.157 12.045 -16.984 379 1HB GLU 47 1HB GLU 47 -0.774 14.387 -15.666 380 2HB GLU 47 2HB GLU 47 0.133 12.917 -15.961 381 1HG GLU 47 1HG GLU 47 0.013 13.131 -18.284 382 2HG GLU 47 2HG GLU 47 -1.522 13.976 -18.240 383 H GLU 48 H GLU 48 -2.587 13.342 -13.671 384 HA GLU 48 HA GLU 48 -1.183 11.537 -12.238 385 1HB GLU 48 1HB GLU 48 -2.990 13.550 -11.679 386 2HB GLU 48 2HB GLU 48 -3.874 12.141 -11.128 387 1HG GLU 48 1HG GLU 48 -1.880 11.444 -9.762 388 2HG GLU 48 2HG GLU 48 -1.034 12.886 -10.286 389 H VAL 49 H VAL 49 -4.587 11.204 -13.450 390 HA VAL 49 HA VAL 49 -5.355 8.889 -12.364 391 HB VAL 49 HB VAL 49 -6.579 10.311 -13.996 392 1HG1 VAL 49 1HG1 VAL 49 -4.441 9.802 -15.682 393 2HG1 VAL 49 2HG1 VAL 49 -5.736 8.782 -16.350 394 3HG1 VAL 49 3HG1 VAL 49 -5.994 10.532 -16.150 395 1HG2 VAL 49 2HG2 VAL 49 -7.059 7.781 -13.318 396 2HG2 VAL 49 3HG2 VAL 49 -8.061 8.640 -14.512 397 3HG2 VAL 49 1HG2 VAL 49 -6.787 7.523 -15.059 398 H LEU 50 H LEU 50 -2.692 9.363 -14.637 399 HA LEU 50 HA LEU 50 -2.391 6.455 -14.834 400 1HB LEU 50 1HB LEU 50 -1.029 8.594 -16.472 401 2HB LEU 50 2HB LEU 50 -1.003 6.864 -16.749 402 HG LEU 50 HG LEU 50 -3.726 7.530 -16.757 403 1HD1 LEU 50 2HD1 LEU 50 -2.417 9.921 -17.146 404 2HD1 LEU 50 3HD1 LEU 50 -2.724 9.364 -18.808 405 3HD1 LEU 50 1HD1 LEU 50 -4.077 9.539 -17.664 406 1HD2 LEU 50 3HD2 LEU 50 -2.527 5.847 -18.138 407 2HD2 LEU 50 1HD2 LEU 50 -3.654 6.866 -19.068 408 3HD2 LEU 50 2HD2 LEU 50 -1.903 7.174 -19.150 409 H ARG 51 H ARG 51 -0.791 9.530 -13.885 410 HA ARG 51 HA ARG 51 1.649 8.357 -13.277 411 1HB ARG 51 1HB ARG 51 0.671 10.932 -13.376 412 2HB ARG 51 2HB ARG 51 0.779 10.711 -11.641 413 1HG ARG 51 1HG ARG 51 3.192 9.639 -12.799 414 2HG ARG 51 2HG ARG 51 2.916 11.211 -13.522 415 1HD ARG 51 1HD ARG 51 2.790 10.746 -10.508 416 2HD ARG 51 2HD ARG 51 4.268 11.200 -11.331 417 HE ARG 51 HE ARG 51 2.301 13.049 -12.169 418 1HH1 ARG 51 2HH1 ARG 51 2.078 15.113 -11.212 419 2HH1 ARG 51 1HH1 ARG 51 2.674 15.394 -9.611 420 1HH2 ARG 51 2HH2 ARG 51 3.868 12.110 -9.161 421 2HH2 ARG 51 1HH2 ARG 51 3.699 13.674 -8.436 422 H GLU 52 H GLU 52 -1.286 9.116 -11.297 423 HA GLU 52 HA GLU 52 -0.228 8.405 -8.858 424 1HB GLU 52 1HB GLU 52 -2.834 9.034 -9.982 425 2HB GLU 52 2HB GLU 52 -2.994 7.700 -8.857 426 1HG GLU 52 1HG GLU 52 -1.360 10.139 -8.086 427 2HG GLU 52 2HG GLU 52 -3.108 10.182 -7.957 428 H GLN 53 H GLN 53 -1.075 6.454 -11.613 429 HA GLN 53 HA GLN 53 -1.237 4.090 -9.936 430 1HB GLN 53 1HB GLN 53 -2.036 2.949 -11.999 431 2HB GLN 53 2HB GLN 53 -3.032 4.330 -11.585 432 1HG GLN 53 1HG GLN 53 -1.892 5.723 -13.264 433 2HG GLN 53 2HG GLN 53 -0.742 4.445 -13.602 434 1HE2 GLN 53 1HE2 GLN 53 -4.069 5.491 -13.861 435 2HE2 GLN 53 2HE2 GLN 53 -4.576 4.397 -15.105 436 H ALA 54 H ALA 54 0.819 5.853 -12.181 437 HA ALA 54 HA ALA 54 2.412 3.823 -13.162 438 1HB ALA 54 3HB ALA 54 2.315 6.388 -13.646 439 2HB ALA 54 2HB ALA 54 3.880 5.547 -13.777 440 3HB ALA 54 1HB ALA 54 3.507 6.515 -12.329 441 H GLY 55 H GLY 55 3.919 2.470 -12.289 442 1HA GLY 55 2HA GLY 55 4.859 3.095 -9.554 443 2HA GLY 55 1HA GLY 55 5.799 2.257 -10.773 444 H GLY 56 H GLY 56 3.190 0.830 -11.693 445 1HA GLY 56 2HA GLY 56 2.422 -0.794 -9.449 446 2HA GLY 56 1HA GLY 56 3.544 -1.604 -10.526 447 H ASP 57 H ASP 57 1.296 -2.923 -10.510 448 HA ASP 57 HA ASP 57 0.314 -2.647 -13.093 449 1HB ASP 57 1HB ASP 57 -0.024 -4.815 -12.436 450 2HB ASP 57 2HB ASP 57 -0.125 -4.381 -10.741 451 H ALA 58 H ALA 58 -1.365 -1.333 -13.847 452 HA ALA 58 HA ALA 58 -2.989 0.014 -11.818 453 1HB ALA 58 1HB ALA 58 -1.512 1.060 -13.843 454 2HB ALA 58 2HB ALA 58 -3.072 0.850 -14.675 455 3HB ALA 58 3HB ALA 58 -2.978 1.836 -13.197 456 H THR 59 H THR 59 -3.015 -2.444 -14.289 457 HA THR 59 HA THR 59 -5.532 -2.346 -15.323 458 HB THR 59 HB THR 59 -3.373 -4.150 -15.187 459 HG1 THR 59 HG1 THR 59 -6.098 -4.471 -16.230 460 1HG2 THR 59 2HG2 THR 59 -4.599 -5.329 -13.283 461 2HG2 THR 59 3HG2 THR 59 -5.977 -5.547 -14.388 462 3HG2 THR 59 1HG2 THR 59 -4.418 -6.325 -14.747 463 H GLU 60 H GLU 60 -4.571 -3.612 -12.083 464 HA GLU 60 HA GLU 60 -6.904 -4.698 -11.326 465 1HB GLU 60 1HB GLU 60 -6.251 -4.091 -8.987 466 2HB GLU 60 2HB GLU 60 -4.918 -4.751 -9.915 467 1HG GLU 60 1HG GLU 60 -3.786 -2.902 -9.176 468 2HG GLU 60 2HG GLU 60 -4.613 -2.086 -10.488 469 H ASN 61 H ASN 61 -6.057 -1.209 -11.466 470 HA ASN 61 HA ASN 61 -8.603 -0.517 -10.341 471 1HB ASN 61 1HB ASN 61 -6.067 0.733 -10.509 472 2HB ASN 61 2HB ASN 61 -7.069 1.677 -11.595 473 1HD2 ASN 61 1HD2 ASN 61 -6.026 1.375 -8.507 474 2HD2 ASN 61 2HD2 ASN 61 -7.273 2.208 -7.639 475 H PHE 62 H PHE 62 -6.720 -0.065 -13.426 476 HA PHE 62 HA PHE 62 -8.557 1.292 -14.901 477 1HB PHE 62 1HB PHE 62 -6.610 0.926 -16.132 478 2HB PHE 62 2HB PHE 62 -6.257 -0.552 -15.260 479 HD1 PHE 62 HD1 PHE 62 -7.423 -2.685 -15.980 480 HD2 PHE 62 HD2 PHE 62 -7.499 0.859 -18.313 481 HE1 PHE 62 HE1 PHE 62 -8.061 -4.030 -18.001 482 HE2 PHE 62 HE2 PHE 62 -8.139 -0.486 -20.333 483 HZ PHE 62 HZ PHE 62 -8.411 -2.913 -20.154 484 H GLU 63 H GLU 63 -8.747 -2.006 -13.722 485 HA GLU 63 HA GLU 63 -10.667 -2.754 -15.714 486 1HB GLU 63 1HB GLU 63 -9.169 -4.101 -13.517 487 2HB GLU 63 2HB GLU 63 -10.769 -4.748 -13.824 488 1HG GLU 63 1HG GLU 63 -9.356 -4.234 -16.342 489 2HG GLU 63 2HG GLU 63 -8.407 -5.275 -15.300 490 H ASP 64 H ASP 64 -10.547 -1.679 -12.302 491 HA ASP 64 HA ASP 64 -13.179 -2.332 -11.692 492 1HB ASP 64 1HB ASP 64 -11.007 -1.324 -10.322 493 2HB ASP 64 2HB ASP 64 -12.007 0.110 -10.432 494 H VAL 65 H VAL 65 -11.658 0.214 -13.579 495 HA VAL 65 HA VAL 65 -14.033 1.901 -13.428 496 HB VAL 65 HB VAL 65 -12.589 3.555 -13.599 497 1HG1 VAL 65 2HG1 VAL 65 -11.084 1.846 -12.457 498 2HG1 VAL 65 3HG1 VAL 65 -10.308 1.612 -14.042 499 3HG1 VAL 65 1HG1 VAL 65 -10.265 3.209 -13.257 500 1HG2 VAL 65 2HG2 VAL 65 -11.775 2.189 -16.173 501 2HG2 VAL 65 3HG2 VAL 65 -12.781 3.640 -15.949 502 3HG2 VAL 65 1HG2 VAL 65 -11.031 3.713 -15.630 503 H GLY 66 H GLY 66 -13.304 -0.868 -14.943 504 1HA GLY 66 2HA GLY 66 -15.186 -0.936 -16.822 505 2HA GLY 66 1HA GLY 66 -13.646 -1.751 -17.012 506 H HIS 67 H HIS 67 -11.904 -0.712 -18.224 507 HA HIS 67 HA HIS 67 -12.452 1.782 -19.499 508 1HB HIS 67 1HB HIS 67 -10.191 -0.191 -19.487 509 2HB HIS 67 2HB HIS 67 -10.262 1.016 -20.754 510 HD1 HIS 67 HD1 HIS 67 -10.392 0.928 -16.917 511 HD2 HIS 67 HD2 HIS 67 -9.081 3.380 -20.059 512 HE1 HIS 67 HE1 HIS 67 -9.197 2.905 -15.832 513 HE2 HIS 67 HE2 HIS 67 -8.368 4.347 -17.814 514 H SER 68 H SER 68 -11.738 1.666 -22.080 515 HA SER 68 HA SER 68 -13.731 -0.153 -23.163 516 1HB SER 68 1HB SER 68 -14.166 1.423 -24.844 517 2HB SER 68 2HB SER 68 -13.827 2.444 -23.462 518 HG SER 68 HG SER 68 -12.422 3.352 -24.819 519 H THR 69 H THR 69 -13.240 -1.266 -25.230 520 HA THR 69 HA THR 69 -10.752 -2.495 -25.240 521 HB THR 69 HB THR 69 -13.084 -2.219 -27.161 522 HG1 THR 69 HG1 THR 69 -11.626 -4.282 -25.665 523 1HG2 THR 69 3HG2 THR 69 -10.990 -2.450 -28.578 524 2HG2 THR 69 1HG2 THR 69 -10.567 -3.899 -27.634 525 3HG2 THR 69 2HG2 THR 69 -12.036 -3.890 -28.639 526 H ASP 70 H ASP 70 -11.733 0.625 -26.503 527 HA ASP 70 HA ASP 70 -9.692 0.790 -28.422 528 1HB ASP 70 1HB ASP 70 -11.760 2.214 -28.392 529 2HB ASP 70 2HB ASP 70 -11.196 2.993 -26.929 530 H ALA 71 H ALA 71 -10.169 2.019 -25.031 531 HA ALA 71 HA ALA 71 -7.795 3.407 -24.775 532 1HB ALA 71 3HB ALA 71 -8.160 2.940 -22.303 533 2HB ALA 71 1HB ALA 71 -9.558 3.636 -23.157 534 3HB ALA 71 2HB ALA 71 -9.522 1.897 -22.779 535 H ARG 72 H ARG 72 -8.547 -0.073 -24.090 536 HA ARG 72 HA ARG 72 -6.051 -0.702 -23.137 537 1HB ARG 72 1HB ARG 72 -7.876 -2.551 -24.752 538 2HB ARG 72 2HB ARG 72 -6.689 -3.041 -23.559 539 1HG ARG 72 1HG ARG 72 -7.974 -1.842 -21.781 540 2HG ARG 72 2HG ARG 72 -9.156 -1.335 -22.972 541 1HD ARG 72 1HD ARG 72 -8.736 -4.035 -21.741 542 2HD ARG 72 2HD ARG 72 -10.231 -3.245 -22.205 543 HE ARG 72 HE ARG 72 -9.999 -4.085 -24.410 544 1HH1 ARG 72 2HH1 ARG 72 -9.138 -5.561 -25.929 545 2HH1 ARG 72 1HH1 ARG 72 -7.624 -6.340 -25.617 546 1HH2 ARG 72 2HH2 ARG 72 -7.120 -4.769 -22.505 547 2HH2 ARG 72 1HH2 ARG 72 -6.468 -5.887 -23.656 548 H GLU 73 H GLU 73 -7.405 -0.694 -26.485 549 HA GLU 73 HA GLU 73 -5.245 -1.920 -27.700 550 1HB GLU 73 1HB GLU 73 -7.720 -0.883 -28.489 551 2HB GLU 73 2HB GLU 73 -6.578 0.128 -29.352 552 1HG GLU 73 1HG GLU 73 -5.886 -1.583 -30.714 553 2HG GLU 73 2HG GLU 73 -5.865 -2.752 -29.407 554 H LEU 74 H LEU 74 -6.023 1.590 -27.213 555 HA LEU 74 HA LEU 74 -3.851 2.642 -28.532 556 1HB LEU 74 1HB LEU 74 -4.691 4.564 -27.830 557 2HB LEU 74 2HB LEU 74 -5.984 3.601 -27.141 558 HG LEU 74 HG LEU 74 -4.122 3.543 -25.121 559 1HD1 LEU 74 3HD1 LEU 74 -3.117 5.492 -26.787 560 2HD1 LEU 74 1HD1 LEU 74 -4.065 6.430 -25.610 561 3HD1 LEU 74 2HD1 LEU 74 -2.785 5.330 -25.045 562 1HD2 LEU 74 1HD2 LEU 74 -6.695 4.758 -25.658 563 2HD2 LEU 74 2HD2 LEU 74 -6.048 4.069 -24.149 564 3HD2 LEU 74 3HD2 LEU 74 -5.722 5.770 -24.564 565 H SER 75 H SER 75 -4.113 1.229 -25.249 566 HA SER 75 HA SER 75 -1.610 2.105 -24.395 567 1HB SER 75 1HB SER 75 -2.464 -0.482 -23.272 568 2HB SER 75 2HB SER 75 -2.189 1.050 -22.463 569 HG SER 75 HG SER 75 -4.451 0.259 -22.426 570 H LYS 76 H LYS 76 -2.763 -0.786 -26.190 571 HA LYS 76 HA LYS 76 -0.439 -2.304 -25.991 572 1HB LYS 76 1HB LYS 76 -1.606 -3.760 -27.228 573 2HB LYS 76 2HB LYS 76 -2.939 -2.636 -27.059 574 1HG LYS 76 1HG LYS 76 -2.268 -1.502 -29.179 575 2HG LYS 76 2HG LYS 76 -0.908 -2.595 -29.343 576 1HD LYS 76 1HD LYS 76 -2.689 -4.514 -29.222 577 2HD LYS 76 2HD LYS 76 -3.871 -3.255 -29.521 578 1HE LYS 76 1HE LYS 76 -3.437 -3.689 -31.731 579 2HE LYS 76 2HE LYS 76 -2.040 -2.661 -31.481 580 1HZ LYS 76 2HZ LYS 76 -0.962 -4.845 -30.712 581 2HZ LYS 76 3HZ LYS 76 -2.162 -5.566 -31.550 582 3HZ LYS 76 1HZ LYS 76 -1.127 -4.559 -32.312 583 H THR 77 H THR 77 -1.079 0.691 -27.617 584 HA THR 77 HA THR 77 1.084 0.285 -29.527 585 HB THR 77 HB THR 77 0.126 2.121 -30.640 586 HG1 THR 77 HG1 THR 77 -1.099 3.709 -29.223 587 1HG2 THR 77 1HG2 THR 77 -1.734 0.354 -30.056 588 2HG2 THR 77 2HG2 THR 77 -2.271 1.548 -28.851 589 3HG2 THR 77 3HG2 THR 77 -2.258 1.971 -30.580 590 H PHE 78 H PHE 78 0.577 1.462 -26.306 591 HA PHE 78 HA PHE 78 3.045 3.023 -26.482 592 1HB PHE 78 1HB PHE 78 0.645 2.816 -24.594 593 2HB PHE 78 2HB PHE 78 2.118 3.590 -24.042 594 HD1 PHE 78 HD1 PHE 78 2.916 4.971 -26.590 595 HD2 PHE 78 HD2 PHE 78 -0.847 4.621 -24.662 596 HE1 PHE 78 HE1 PHE 78 2.178 7.128 -27.641 597 HE2 PHE 78 HE2 PHE 78 -1.586 6.777 -25.714 598 HZ PHE 78 HZ PHE 78 -0.064 8.004 -27.191 599 H ILE 79 H ILE 79 2.058 -0.106 -25.858 600 HA ILE 79 HA ILE 79 3.212 -0.732 -23.424 601 HB ILE 79 HB ILE 79 2.411 -2.169 -25.878 602 1HG1 ILE 79 1HG1 ILE 79 1.795 -2.192 -22.950 603 2HG1 ILE 79 2HG1 ILE 79 0.712 -2.079 -24.323 604 1HG2 ILE 79 3HG2 ILE 79 4.654 -3.088 -25.546 605 2HG2 ILE 79 1HG2 ILE 79 4.259 -3.455 -23.849 606 3HG2 ILE 79 2HG2 ILE 79 3.395 -4.288 -25.164 607 1HD1 ILE 79 3HD1 ILE 79 1.201 -4.468 -24.900 608 2HD1 ILE 79 1HD1 ILE 79 2.250 -4.574 -23.467 609 3HD1 ILE 79 2HD1 ILE 79 0.504 -4.295 -23.271 610 H ILE 80 H ILE 80 5.274 -0.881 -22.682 611 HA ILE 80 HA ILE 80 7.377 -0.505 -24.691 612 HB ILE 80 HB ILE 80 8.629 0.055 -22.415 613 1HG1 ILE 80 1HG1 ILE 80 5.788 0.911 -21.800 614 2HG1 ILE 80 2HG1 ILE 80 6.564 -0.482 -21.076 615 1HG2 ILE 80 3HG2 ILE 80 7.219 1.597 -24.458 616 2HG2 ILE 80 1HG2 ILE 80 7.395 2.475 -22.920 617 3HG2 ILE 80 2HG2 ILE 80 8.834 1.831 -23.748 618 1HD1 ILE 80 1HD1 ILE 80 7.725 2.337 -20.960 619 2HD1 ILE 80 2HD1 ILE 80 6.718 1.622 -19.680 620 3HD1 ILE 80 3HD1 ILE 80 8.299 0.905 -20.072 621 H GLY 81 H GLY 81 6.151 -2.546 -22.040 622 1HA GLY 81 2HA GLY 81 8.294 -4.120 -21.432 623 2HA GLY 81 1HA GLY 81 7.738 -4.752 -22.969 624 H GLU 82 H GLU 82 7.668 -6.012 -20.257 625 HA GLU 82 HA GLU 82 4.894 -5.962 -19.554 626 1HB GLU 82 1HB GLU 82 5.959 -8.686 -20.289 627 2HB GLU 82 2HB GLU 82 4.297 -8.138 -20.195 628 1HG GLU 82 1HG GLU 82 4.603 -6.760 -22.236 629 2HG GLU 82 2HG GLU 82 6.295 -7.210 -22.311 630 H LEU 83 H LEU 83 4.473 -7.360 -17.583 631 HA LEU 83 HA LEU 83 6.633 -7.055 -15.771 632 1HB LEU 83 1HB LEU 83 4.249 -6.724 -15.216 633 2HB LEU 83 2HB LEU 83 3.970 -8.440 -15.433 634 HG LEU 83 HG LEU 83 4.596 -8.887 -13.350 635 1HD1 LEU 83 2HD1 LEU 83 7.086 -7.320 -14.017 636 2HD1 LEU 83 3HD1 LEU 83 6.809 -8.022 -12.405 637 3HD1 LEU 83 1HD1 LEU 83 6.884 -9.078 -13.835 638 1HD2 LEU 83 3HD2 LEU 83 3.739 -6.276 -13.334 639 2HD2 LEU 83 1HD2 LEU 83 4.000 -7.295 -11.898 640 3HD2 LEU 83 2HD2 LEU 83 5.278 -6.182 -12.444 641 H HIS 84 H HIS 84 8.300 -8.413 -15.418 642 HA HIS 84 HA HIS 84 8.404 -10.882 -16.779 643 1HB HIS 84 1HB HIS 84 10.209 -9.111 -15.561 644 2HB HIS 84 2HB HIS 84 10.351 -10.594 -14.638 645 HD1 HIS 84 HD1 HIS 84 9.497 -10.918 -18.273 646 HD2 HIS 84 HD2 HIS 84 12.907 -11.040 -15.832 647 HE1 HIS 84 HE1 HIS 84 11.367 -11.897 -19.706 648 HE2 HIS 84 HE2 HIS 84 13.450 -11.894 -18.170 649 HA PRO 85 HA PRO 85 7.235 -13.675 -13.657 650 1HB PRO 85 1HB PRO 85 9.298 -15.406 -13.197 651 2HB PRO 85 2HB PRO 85 8.253 -15.515 -14.598 652 1HG PRO 85 1HG PRO 85 11.035 -14.530 -14.434 653 2HG PRO 85 2HG PRO 85 10.133 -15.041 -15.847 654 1HD PRO 85 1HD PRO 85 10.709 -12.343 -15.061 655 2HD PRO 85 2HD PRO 85 9.710 -12.852 -16.407 656 H ASP 86 H ASP 86 9.044 -11.248 -12.835 657 HA ASP 86 HA ASP 86 9.950 -12.119 -10.309 658 1HB ASP 86 1HB ASP 86 11.170 -10.260 -10.869 659 2HB ASP 86 2HB ASP 86 9.909 -9.629 -11.907 660 H ASP 87 H ASP 87 6.979 -10.789 -11.707 661 HA ASP 87 HA ASP 87 5.576 -11.282 -9.320 662 1HB ASP 87 1HB ASP 87 6.420 -8.493 -9.986 663 2HB ASP 87 2HB ASP 87 4.721 -8.671 -9.595 664 H ARG 88 H ARG 88 4.760 -12.599 -11.296 665 HA ARG 88 HA ARG 88 3.311 -11.037 -13.212 666 1HB ARG 88 1HB ARG 88 3.504 -14.074 -12.891 667 2HB ARG 88 2HB ARG 88 2.848 -13.239 -14.286 668 1HG ARG 88 1HG ARG 88 5.659 -12.572 -13.390 669 2HG ARG 88 2HG ARG 88 5.388 -14.074 -14.250 670 1HD ARG 88 1HD ARG 88 4.641 -11.283 -15.249 671 2HD ARG 88 2HD ARG 88 5.973 -12.260 -15.835 672 HE ARG 88 HE ARG 88 3.519 -13.756 -16.040 673 1HH1 ARG 88 2HH1 ARG 88 2.534 -14.051 -18.080 674 2HH1 ARG 88 1HH1 ARG 88 2.944 -13.004 -19.398 675 1HH2 ARG 88 2HH2 ARG 88 5.239 -11.080 -17.546 676 2HH2 ARG 88 1HH2 ARG 88 4.492 -11.303 -19.091 677 H SER 89 H SER 89 2.463 -13.975 -11.226 678 HA SER 89 HA SER 89 -0.268 -13.452 -11.378 679 1HB SER 89 1HB SER 89 0.763 -15.695 -10.931 680 2HB SER 89 2HB SER 89 1.259 -15.140 -9.345 681 HG SER 89 HG SER 89 -1.425 -15.531 -10.335 682 H LYS 90 H LYS 90 2.154 -11.781 -9.738 683 HA LYS 90 HA LYS 90 0.760 -11.297 -7.290 684 1HB LYS 90 1HB LYS 90 3.297 -10.365 -8.576 685 2HB LYS 90 2HB LYS 90 2.608 -9.380 -7.300 686 1HG LYS 90 1HG LYS 90 2.492 -12.171 -6.501 687 2HG LYS 90 2HG LYS 90 4.120 -11.799 -7.029 688 1HD LYS 90 1HD LYS 90 4.504 -10.325 -5.292 689 2HD LYS 90 2HD LYS 90 2.857 -9.727 -5.288 690 1HE LYS 90 1HE LYS 90 2.138 -11.308 -3.771 691 2HE LYS 90 2HE LYS 90 3.122 -12.579 -4.467 692 1HZ LYS 90 3HZ LYS 90 5.044 -11.582 -3.417 693 2HZ LYS 90 1HZ LYS 90 4.122 -10.402 -2.763 694 3HZ LYS 90 2HZ LYS 90 3.908 -11.955 -2.302 695 H ILE 91 H ILE 91 0.603 -10.129 -10.565 696 HA ILE 91 HA ILE 91 -1.156 -7.978 -9.625 697 HB ILE 91 HB ILE 91 -0.280 -6.433 -11.074 698 1HG1 ILE 91 1HG1 ILE 91 1.158 -8.616 -12.613 699 2HG1 ILE 91 2HG1 ILE 91 -0.381 -7.915 -13.077 700 1HG2 ILE 91 3HG2 ILE 91 1.356 -7.408 -9.233 701 2HG2 ILE 91 1HG2 ILE 91 2.323 -7.836 -10.664 702 3HG2 ILE 91 2HG2 ILE 91 1.870 -6.140 -10.369 703 1HD1 ILE 91 1HD1 ILE 91 1.755 -5.923 -12.489 704 2HD1 ILE 91 2HD1 ILE 91 2.053 -6.957 -13.906 705 3HD1 ILE 91 3HD1 ILE 91 0.575 -5.968 -13.820 706 H THR 92 H THR 92 -0.325 -10.508 -11.997 707 HA THR 92 HA THR 92 -1.987 -10.308 -14.012 708 HB THR 92 HB THR 92 -0.599 -12.341 -12.990 709 HG1 THR 92 HG1 THR 92 -1.881 -13.623 -14.557 710 1HG2 THR 92 1HG2 THR 92 -3.503 -13.004 -12.265 711 2HG2 THR 92 2HG2 THR 92 -2.167 -14.179 -12.309 712 3HG2 THR 92 3HG2 THR 92 -2.153 -12.861 -11.113 713 H LYS 93 H LYS 93 -3.170 -11.233 -10.716 714 HA LYS 93 HA LYS 93 -5.878 -10.745 -11.705 715 1HB LYS 93 1HB LYS 93 -4.673 -12.485 -9.628 716 2HB LYS 93 2HB LYS 93 -6.197 -11.738 -9.191 717 1HG LYS 93 1HG LYS 93 -7.266 -12.621 -11.236 718 2HG LYS 93 2HG LYS 93 -5.737 -13.265 -11.797 719 1HD LYS 93 1HD LYS 93 -6.887 -15.126 -10.814 720 2HD LYS 93 2HD LYS 93 -5.657 -14.674 -9.651 721 1HE LYS 93 1HE LYS 93 -7.201 -14.084 -8.074 722 2HE LYS 93 2HE LYS 93 -8.162 -13.178 -9.226 723 1HZ LYS 93 1HZ LYS 93 -8.620 -15.670 -10.004 724 2HZ LYS 93 2HZ LYS 93 -8.426 -15.907 -8.401 725 3HZ LYS 93 3HZ LYS 93 -9.563 -14.867 -8.939 726 HA PRO 94 HA PRO 94 -6.050 -7.018 -9.533 727 1HB PRO 94 1HB PRO 94 -8.751 -6.689 -9.279 728 2HB PRO 94 2HB PRO 94 -7.874 -6.313 -10.750 729 1HG PRO 94 1HG PRO 94 -9.625 -8.625 -10.176 730 2HG PRO 94 2HG PRO 94 -9.092 -8.011 -11.728 731 1HD PRO 94 1HD PRO 94 -8.091 -10.327 -10.365 732 2HD PRO 94 2HD PRO 94 -7.481 -9.646 -11.860 733 H SER 95 H SER 95 -8.497 -9.195 -8.190 734 HA SER 95 HA SER 95 -7.172 -9.425 -5.775 735 1HB SER 95 1HB SER 95 -8.753 -8.068 -4.332 736 2HB SER 95 2HB SER 95 -7.658 -7.112 -5.311 737 HG SER 95 HG SER 95 -10.209 -6.740 -5.223 738 H GLU 96 H GLU 96 -8.860 -10.299 -4.004 739 HA GLU 96 HA GLU 96 -11.225 -11.374 -5.199 740 1HB GLU 96 1HB GLU 96 -10.601 -13.754 -4.598 741 2HB GLU 96 2HB GLU 96 -9.704 -13.087 -5.948 742 1HG GLU 96 1HG GLU 96 -7.747 -13.438 -4.862 743 2HG GLU 96 2HG GLU 96 -8.270 -12.412 -3.540 744 H SER 97 H SER 97 -12.821 -11.718 -3.643 745 HA SER 97 HA SER 97 -12.191 -12.296 -0.983 746 1HB SER 97 1HB SER 97 -12.961 -9.416 -1.612 747 2HB SER 97 2HB SER 97 -13.115 -10.115 -0.013 748 HG SER 97 HG SER 97 -10.798 -9.340 -1.433 749 H ILE 98 H ILE 98 -14.376 -11.818 0.424 750 HA ILE 98 HA ILE 98 -16.621 -12.432 -1.370 751 HB ILE 98 HB ILE 98 -15.692 -14.354 -0.028 752 1HG1 ILE 98 1HG1 ILE 98 -18.520 -13.938 0.827 753 2HG1 ILE 98 2HG1 ILE 98 -18.182 -13.851 -0.890 754 1HG2 ILE 98 3HG2 ILE 98 -15.178 -13.135 2.030 755 2HG2 ILE 98 1HG2 ILE 98 -16.912 -12.823 2.287 756 3HG2 ILE 98 2HG2 ILE 98 -16.289 -14.491 2.337 757 1HD1 ILE 98 1HD1 ILE 98 -16.735 -16.104 0.196 758 2HD1 ILE 98 2HD1 ILE 98 -18.429 -16.195 0.735 759 3HD1 ILE 98 3HD1 ILE 98 -18.050 -16.105 -1.002 760 H ILE 99 H ILE 99 -18.805 -12.053 -0.060 761 HA ILE 99 HA ILE 99 -18.535 -9.354 1.040 762 HB ILE 99 HB ILE 99 -20.927 -10.768 -0.143 763 1HG1 ILE 99 1HG1 ILE 99 -18.959 -10.155 -1.683 764 2HG1 ILE 99 2HG1 ILE 99 -20.569 -9.635 -2.141 765 1HG2 ILE 99 3HG2 ILE 99 -20.568 -7.922 0.829 766 2HG2 ILE 99 1HG2 ILE 99 -21.957 -8.511 -0.117 767 3HG2 ILE 99 2HG2 ILE 99 -21.643 -9.165 1.508 768 1HD1 ILE 99 2HD1 ILE 99 -20.132 -7.386 -1.143 769 2HD1 ILE 99 3HD1 ILE 99 -18.490 -7.917 -0.707 770 3HD1 ILE 99 1HD1 ILE 99 -18.959 -7.786 -2.419 771 H THR 100 H THR 100 -20.796 -12.168 1.480 772 HA THR 100 HA THR 100 -21.695 -13.045 3.314 773 HB THR 100 HB THR 100 -18.967 -12.171 4.380 774 HG1 THR 100 HG1 THR 100 -18.614 -14.426 3.909 775 1HG2 THR 100 1HG2 THR 100 -20.664 -12.522 6.271 776 2HG2 THR 100 2HG2 THR 100 -20.921 -14.164 5.636 777 3HG2 THR 100 3HG2 THR 100 -19.323 -13.691 6.259 778 H THR 101 H THR 101 -22.909 -12.602 5.243 779 HA THR 101 HA THR 101 -22.796 -10.101 6.527 780 HB THR 101 HB THR 101 -23.633 -9.358 4.257 781 HG1 THR 101 HG1 THR 101 -24.294 -8.458 6.440 782 1HG2 THR 101 3HG2 THR 101 -25.556 -11.564 4.791 783 2HG2 THR 101 1HG2 THR 101 -26.336 -10.021 4.365 784 3HG2 THR 101 2HG2 THR 101 -25.159 -10.761 3.252 785 H ILE 102 H ILE 102 -24.836 -9.769 7.928 786 HA ILE 102 HA ILE 102 -25.691 -12.449 8.768 787 HB ILE 102 HB ILE 102 -24.217 -10.923 10.249 788 1HG1 ILE 102 1HG1 ILE 102 -26.439 -11.731 11.950 789 2HG1 ILE 102 2HG1 ILE 102 -26.068 -12.957 10.753 790 1HG2 ILE 102 1HG2 ILE 102 -25.624 -8.898 9.918 791 2HG2 ILE 102 2HG2 ILE 102 -26.922 -9.695 10.838 792 3HG2 ILE 102 3HG2 ILE 102 -25.369 -9.326 11.626 793 1HD1 ILE 102 3HD1 ILE 102 -23.706 -11.702 12.094 794 2HD1 ILE 102 1HD1 ILE 102 -24.733 -12.740 13.112 795 3HD1 ILE 102 2HD1 ILE 102 -23.986 -13.399 11.636 796 H ASP 103 H ASP 103 -27.910 -12.748 9.412 797 HA ASP 103 HA ASP 103 -29.641 -11.171 7.802 798 1HB ASP 103 1HB ASP 103 -29.636 -13.786 8.841 799 2HB ASP 103 2HB ASP 103 -30.917 -12.998 9.740 800 H SER 104 H SER 104 -29.500 -12.122 11.328 801 HA SER 104 HA SER 104 -30.362 -11.216 13.115 802 1HB SER 104 1HB SER 104 -28.402 -9.656 12.446 803 2HB SER 104 2HB SER 104 -29.627 -8.515 11.927 804 HG SER 104 HG SER 104 -28.790 -8.325 14.213 No H/Q in entry = 804 Start of MODEL 17 1 H ALA 1 H ALA 1 29.840 4.839 -30.203 2 HA ALA 1 HA ALA 1 31.753 3.633 -30.571 3 1HB ALA 1 2HB ALA 1 32.171 4.913 -28.605 4 2HB ALA 1 1HB ALA 1 32.789 3.282 -28.251 5 3HB ALA 1 3HB ALA 1 31.222 3.804 -27.587 6 H GLU 2 H GLU 2 29.665 1.900 -28.159 7 HA GLU 2 HA GLU 2 29.605 -0.422 -29.631 8 1HB GLU 2 1HB GLU 2 32.108 -0.341 -28.855 9 2HB GLU 2 2HB GLU 2 31.484 -0.784 -27.278 10 1HG GLU 2 1HG GLU 2 30.793 -2.905 -27.980 11 2HG GLU 2 2HG GLU 2 30.518 -2.392 -29.633 12 H GLU 3 H GLU 3 27.415 -0.356 -28.992 13 HA GLU 3 HA GLU 3 26.675 -1.768 -26.831 14 1HB GLU 3 1HB GLU 3 27.460 0.894 -26.005 15 2HB GLU 3 2HB GLU 3 25.736 0.713 -25.745 16 1HG GLU 3 1HG GLU 3 26.705 -1.728 -24.832 17 2HG GLU 3 2HG GLU 3 28.005 -0.640 -24.385 18 H SER 4 H SER 4 24.259 -1.685 -26.454 19 HA SER 4 HA SER 4 22.641 0.049 -27.856 20 1HB SER 4 1HB SER 4 21.810 -1.592 -29.640 21 2HB SER 4 2HB SER 4 23.368 -0.850 -29.943 22 HG SER 4 HG SER 4 22.765 -3.494 -29.737 23 H SER 5 H SER 5 20.467 -0.280 -27.213 24 HA SER 5 HA SER 5 19.437 -2.733 -26.498 25 1HB SER 5 1HB SER 5 19.488 -2.781 -24.120 26 2HB SER 5 2HB SER 5 21.134 -2.406 -24.594 27 HG SER 5 HG SER 5 20.993 -0.460 -23.684 28 H LYS 6 H LYS 6 17.177 -2.520 -25.755 29 HA LYS 6 HA LYS 6 15.930 -0.271 -24.917 30 1HB LYS 6 1HB LYS 6 16.838 0.120 -27.612 31 2HB LYS 6 2HB LYS 6 15.087 0.056 -27.617 32 1HG LYS 6 1HG LYS 6 16.242 1.640 -25.376 33 2HG LYS 6 2HG LYS 6 16.583 2.293 -26.965 34 1HD LYS 6 1HD LYS 6 13.919 1.696 -27.257 35 2HD LYS 6 2HD LYS 6 13.967 2.033 -25.538 36 1HE LYS 6 1HE LYS 6 13.859 4.239 -26.071 37 2HE LYS 6 2HE LYS 6 15.512 4.104 -26.637 38 1HZ LYS 6 3HZ LYS 6 13.750 3.123 -28.581 39 2HZ LYS 6 1HZ LYS 6 13.293 4.628 -28.145 40 3HZ LYS 6 2HZ LYS 6 14.808 4.361 -28.692 41 H ALA 7 H ALA 7 13.492 -0.376 -25.328 42 HA ALA 7 HA ALA 7 11.595 -1.516 -25.507 43 1HB ALA 7 3HB ALA 7 13.256 -2.679 -27.542 44 2HB ALA 7 1HB ALA 7 12.324 -3.978 -26.762 45 3HB ALA 7 2HB ALA 7 11.481 -2.584 -27.477 46 H VAL 8 H VAL 8 11.913 -1.625 -23.132 47 HA VAL 8 HA VAL 8 13.204 -3.417 -21.666 48 HB VAL 8 HB VAL 8 11.997 -2.170 -20.277 49 1HG1 VAL 8 1HG1 VAL 8 10.109 -1.967 -22.589 50 2HG1 VAL 8 2HG1 VAL 8 9.504 -1.535 -20.970 51 3HG1 VAL 8 3HG1 VAL 8 10.915 -0.687 -21.649 52 1HG2 VAL 8 3HG2 VAL 8 11.205 -4.478 -19.771 53 2HG2 VAL 8 1HG2 VAL 8 10.035 -3.215 -19.319 54 3HG2 VAL 8 2HG2 VAL 8 9.780 -4.180 -20.794 55 H LYS 9 H LYS 9 9.895 -4.091 -23.024 56 HA LYS 9 HA LYS 9 9.030 -5.974 -23.820 57 1HB LYS 9 1HB LYS 9 11.743 -6.358 -24.323 58 2HB LYS 9 2HB LYS 9 11.271 -7.817 -23.475 59 1HG LYS 9 1HG LYS 9 9.208 -7.852 -25.088 60 2HG LYS 9 2HG LYS 9 10.099 -6.683 -26.042 61 1HD LYS 9 1HD LYS 9 12.051 -8.589 -25.599 62 2HD LYS 9 2HD LYS 9 10.615 -9.592 -25.644 63 1HE LYS 9 1HE LYS 9 10.580 -7.577 -27.789 64 2HE LYS 9 2HE LYS 9 12.021 -8.569 -27.869 65 1HZ LYS 9 3HZ LYS 9 9.848 -10.213 -27.325 66 2HZ LYS 9 1HZ LYS 9 9.450 -9.264 -28.594 67 3HZ LYS 9 2HZ LYS 9 10.791 -10.193 -28.658 68 H TYR 10 H TYR 10 11.362 -6.772 -21.145 69 HA TYR 10 HA TYR 10 9.054 -7.718 -19.612 70 1HB TYR 10 1HB TYR 10 11.342 -9.351 -19.031 71 2HB TYR 10 2HB TYR 10 9.897 -9.868 -19.879 72 HD1 TYR 10 HD1 TYR 10 13.193 -8.192 -20.474 73 HD2 TYR 10 HD2 TYR 10 10.037 -10.576 -22.108 74 HE1 TYR 10 HE1 TYR 10 14.556 -8.559 -22.587 75 HE2 TYR 10 HE2 TYR 10 11.412 -10.934 -24.218 76 HH TYR 10 HH TYR 10 14.720 -10.134 -24.370 77 H TYR 11 H TYR 11 9.001 -6.448 -17.825 78 HA TYR 11 HA TYR 11 11.592 -5.851 -16.563 79 1HB TYR 11 1HB TYR 11 9.230 -4.234 -17.458 80 2HB TYR 11 2HB TYR 11 9.701 -3.892 -15.806 81 HD1 TYR 11 HD1 TYR 11 12.404 -4.945 -17.968 82 HD2 TYR 11 HD2 TYR 11 10.146 -1.553 -16.667 83 HE1 TYR 11 HE1 TYR 11 14.235 -3.393 -18.811 84 HE2 TYR 11 HE2 TYR 11 11.984 -0.013 -17.513 85 HH TYR 11 HH TYR 11 14.298 -0.072 -17.996 86 H THR 12 H THR 12 11.219 -5.152 -14.160 87 HA THR 12 HA THR 12 9.349 -7.110 -13.013 88 HB THR 12 HB THR 12 10.920 -7.223 -11.166 89 HG1 THR 12 HG1 THR 12 12.692 -5.585 -11.214 90 1HG2 THR 12 2HG2 THR 12 11.760 -7.919 -13.703 91 2HG2 THR 12 3HG2 THR 12 13.002 -6.727 -13.253 92 3HG2 THR 12 1HG2 THR 12 12.741 -8.166 -12.239 93 H LEU 13 H LEU 13 8.014 -6.558 -11.238 94 HA LEU 13 HA LEU 13 6.633 -4.245 -11.463 95 1HB LEU 13 1HB LEU 13 7.013 -6.285 -9.359 96 2HB LEU 13 2HB LEU 13 6.344 -4.757 -8.818 97 HG LEU 13 HG LEU 13 5.200 -6.637 -10.894 98 1HD1 LEU 13 2HD1 LEU 13 4.945 -6.733 -8.198 99 2HD1 LEU 13 3HD1 LEU 13 3.575 -5.675 -8.621 100 3HD1 LEU 13 1HD1 LEU 13 3.705 -7.295 -9.346 101 1HD2 LEU 13 1HD2 LEU 13 4.464 -3.782 -10.268 102 2HD2 LEU 13 2HD2 LEU 13 4.749 -4.551 -11.848 103 3HD2 LEU 13 3HD2 LEU 13 3.279 -4.938 -10.922 104 H GLU 14 H GLU 14 9.677 -4.821 -9.665 105 HA GLU 14 HA GLU 14 9.656 -2.435 -8.261 106 1HB GLU 14 1HB GLU 14 11.448 -4.646 -8.704 107 2HB GLU 14 2HB GLU 14 12.363 -3.169 -8.920 108 1HG GLU 14 1HG GLU 14 12.024 -2.459 -6.713 109 2HG GLU 14 2HG GLU 14 10.502 -3.314 -6.555 110 H GLU 15 H GLU 15 11.096 -3.319 -11.469 111 HA GLU 15 HA GLU 15 12.314 -0.917 -11.958 112 1HB GLU 15 1HB GLU 15 12.504 -3.091 -13.277 113 2HB GLU 15 2HB GLU 15 10.983 -2.694 -14.047 114 1HG GLU 15 1HG GLU 15 12.731 -1.911 -15.520 115 2HG GLU 15 2HG GLU 15 12.010 -0.488 -14.797 116 H ILE 16 H ILE 16 8.904 -1.942 -12.420 117 HA ILE 16 HA ILE 16 8.180 0.428 -13.823 118 HB ILE 16 HB ILE 16 6.380 -1.523 -12.394 119 1HG1 ILE 16 1HG1 ILE 16 6.745 -1.986 -15.251 120 2HG1 ILE 16 2HG1 ILE 16 8.245 -2.184 -14.365 121 1HG2 ILE 16 3HG2 ILE 16 5.875 0.841 -13.854 122 2HG2 ILE 16 1HG2 ILE 16 5.398 -0.517 -14.900 123 3HG2 ILE 16 2HG2 ILE 16 4.704 -0.365 -13.268 124 1HD1 ILE 16 2HD1 ILE 16 5.844 -3.389 -13.062 125 2HD1 ILE 16 3HD1 ILE 16 6.353 -4.144 -14.593 126 3HD1 ILE 16 1HD1 ILE 16 7.493 -4.037 -13.230 127 H GLN 17 H GLN 17 8.356 -0.624 -10.426 128 HA GLN 17 HA GLN 17 6.738 1.398 -9.407 129 1HB GLN 17 1HB GLN 17 7.858 -0.821 -8.357 130 2HB GLN 17 2HB GLN 17 9.036 0.343 -7.784 131 1HG GLN 17 1HG GLN 17 6.261 1.282 -7.406 132 2HG GLN 17 2HG GLN 17 6.564 -0.236 -6.583 133 1HE2 GLN 17 1HE2 GLN 17 6.369 2.832 -5.969 134 2HE2 GLN 17 2HE2 GLN 17 7.627 3.098 -4.809 135 H LYS 18 H LYS 18 10.162 1.252 -10.378 136 HA LYS 18 HA LYS 18 10.947 3.618 -9.049 137 1HB LYS 18 1HB LYS 18 12.182 2.274 -11.471 138 2HB LYS 18 2HB LYS 18 12.954 3.448 -10.424 139 1HG LYS 18 1HG LYS 18 11.774 0.996 -9.130 140 2HG LYS 18 2HG LYS 18 13.246 0.789 -10.057 141 1HD LYS 18 1HD LYS 18 12.908 2.857 -7.836 142 2HD LYS 18 2HD LYS 18 13.633 1.280 -7.600 143 1HE LYS 18 1HE LYS 18 15.600 1.882 -8.622 144 2HE LYS 18 2HE LYS 18 14.787 2.780 -9.889 145 1HZ LYS 18 1HZ LYS 18 14.336 4.194 -7.607 146 2HZ LYS 18 2HZ LYS 18 15.899 3.735 -7.489 147 3HZ LYS 18 3HZ LYS 18 15.390 4.577 -8.794 148 H HIS 19 H HIS 19 9.336 2.880 -12.130 149 HA HIS 19 HA HIS 19 9.629 5.651 -12.949 150 1HB HIS 19 1HB HIS 19 8.896 3.087 -14.289 151 2HB HIS 19 2HB HIS 19 8.201 4.561 -14.936 152 HD1 HIS 19 HD1 HIS 19 9.559 5.443 -16.824 153 HD2 HIS 19 HD2 HIS 19 11.951 3.628 -13.894 154 HE1 HIS 19 HE1 HIS 19 11.967 5.646 -17.642 155 HE2 HIS 19 HE2 HIS 19 13.395 4.562 -15.774 156 H ASN 20 H ASN 20 8.300 6.828 -11.548 157 HA ASN 20 HA ASN 20 5.481 6.277 -11.941 158 1HB ASN 20 1HB ASN 20 5.722 5.377 -9.752 159 2HB ASN 20 2HB ASN 20 6.966 6.529 -9.307 160 1HD2 ASN 20 1HD2 ASN 20 3.634 6.638 -10.580 161 2HD2 ASN 20 2HD2 ASN 20 3.010 7.799 -9.457 162 H ASN 21 H ASN 21 7.821 8.261 -12.719 163 HA ASN 21 HA ASN 21 6.696 10.691 -11.621 164 1HB ASN 21 1HB ASN 21 9.296 9.927 -12.957 165 2HB ASN 21 2HB ASN 21 8.764 11.588 -13.131 166 1HD2 ASN 21 1HD2 ASN 21 10.325 9.337 -11.191 167 2HD2 ASN 21 2HD2 ASN 21 10.459 10.238 -9.718 168 H SER 22 H SER 22 6.168 12.497 -13.174 169 HA SER 22 HA SER 22 4.588 11.669 -15.242 170 1HB SER 22 1HB SER 22 4.555 14.062 -15.920 171 2HB SER 22 2HB SER 22 4.364 13.871 -14.189 172 HG SER 22 HG SER 22 7.040 14.091 -14.915 173 H LYS 23 H LYS 23 8.039 11.890 -15.058 174 HA LYS 23 HA LYS 23 8.308 12.118 -17.953 175 1HB LYS 23 1HB LYS 23 10.597 12.580 -17.577 176 2HB LYS 23 2HB LYS 23 9.709 13.502 -16.378 177 1HG LYS 23 1HG LYS 23 10.215 11.878 -14.633 178 2HG LYS 23 2HG LYS 23 10.865 10.739 -15.797 179 1HD LYS 23 1HD LYS 23 12.127 13.462 -15.760 180 2HD LYS 23 2HD LYS 23 12.422 12.454 -14.359 181 1HE LYS 23 1HE LYS 23 13.123 10.583 -15.965 182 2HE LYS 23 2HE LYS 23 13.015 11.748 -17.270 183 1HZ LYS 23 2HZ LYS 23 14.551 13.130 -15.821 184 2HZ LYS 23 3HZ LYS 23 14.852 11.749 -15.002 185 3HZ LYS 23 1HZ LYS 23 15.195 11.844 -16.595 186 H SER 24 H SER 24 8.515 9.838 -15.237 187 HA SER 24 HA SER 24 9.104 7.783 -17.219 188 1HB SER 24 1HB SER 24 9.985 6.736 -14.779 189 2HB SER 24 2HB SER 24 11.003 7.339 -16.073 190 HG SER 24 HG SER 24 11.036 8.279 -13.680 191 H THR 25 H THR 25 6.577 8.000 -17.176 192 HA THR 25 HA THR 25 5.380 6.756 -14.832 193 HB THR 25 HB THR 25 3.868 7.523 -17.333 194 HG1 THR 25 HG1 THR 25 5.313 9.180 -15.401 195 1HG2 THR 25 2HG2 THR 25 3.495 7.863 -14.316 196 2HG2 THR 25 3HG2 THR 25 2.444 8.658 -15.514 197 3HG2 THR 25 1HG2 THR 25 2.503 6.880 -15.420 198 H TRP 26 H TRP 26 5.689 4.609 -14.667 199 HA TRP 26 HA TRP 26 5.086 3.051 -17.089 200 1HB TRP 26 1HB TRP 26 7.190 2.578 -14.979 201 2HB TRP 26 2HB TRP 26 6.638 1.324 -16.075 202 HD1 TRP 26 HD1 TRP 26 6.507 3.967 -18.410 203 HE1 TRP 26 HE1 TRP 26 8.718 4.435 -19.772 204 HE3 TRP 26 HE3 TRP 26 9.609 1.467 -15.250 205 HZ2 TRP 26 HZ2 TRP 26 11.454 3.724 -19.384 206 HZ3 TRP 26 HZ3 TRP 26 12.035 1.401 -15.815 207 HH2 TRP 26 HH2 TRP 26 12.970 2.478 -17.801 208 H LEU 27 H LEU 27 3.562 1.409 -16.813 209 HA LEU 27 HA LEU 27 2.834 0.635 -14.124 210 1HB LEU 27 1HB LEU 27 0.725 1.454 -14.051 211 2HB LEU 27 2HB LEU 27 1.539 2.760 -14.890 212 HG LEU 27 HG LEU 27 -0.397 2.540 -16.116 213 1HD1 LEU 27 3HD1 LEU 27 1.876 2.031 -17.412 214 2HD1 LEU 27 1HD1 LEU 27 1.026 0.507 -17.763 215 3HD1 LEU 27 2HD1 LEU 27 0.293 2.062 -18.227 216 1HD2 LEU 27 2HD2 LEU 27 -0.728 0.153 -14.853 217 2HD2 LEU 27 3HD2 LEU 27 -1.770 0.762 -16.162 218 3HD2 LEU 27 1HD2 LEU 27 -0.457 -0.382 -16.529 219 H ILE 28 H ILE 28 1.110 -1.174 -14.249 220 HA ILE 28 HA ILE 28 1.707 -2.757 -16.651 221 HB ILE 28 HB ILE 28 0.772 -4.100 -14.193 222 1HG1 ILE 28 1HG1 ILE 28 2.327 -2.326 -13.339 223 2HG1 ILE 28 2HG1 ILE 28 2.821 -3.974 -13.000 224 1HG2 ILE 28 2HG2 ILE 28 2.701 -4.629 -16.437 225 2HG2 ILE 28 3HG2 ILE 28 2.758 -5.591 -14.940 226 3HG2 ILE 28 1HG2 ILE 28 1.275 -5.559 -15.923 227 1HD1 ILE 28 3HD1 ILE 28 3.823 -2.534 -15.481 228 2HD1 ILE 28 1HD1 ILE 28 4.623 -2.326 -13.904 229 3HD1 ILE 28 2HD1 ILE 28 4.534 -3.938 -14.651 230 H LEU 29 H LEU 29 0.034 -3.482 -17.904 231 HA LEU 29 HA LEU 29 -2.657 -3.129 -16.799 232 1HB LEU 29 1HB LEU 29 -1.528 -1.478 -18.701 233 2HB LEU 29 2HB LEU 29 -2.423 -2.634 -19.670 234 HG LEU 29 HG LEU 29 -3.425 -0.600 -17.717 235 1HD1 LEU 29 1HD1 LEU 29 -3.348 -0.241 -20.205 236 2HD1 LEU 29 2HD1 LEU 29 -4.571 -1.526 -20.360 237 3HD1 LEU 29 3HD1 LEU 29 -4.951 -0.040 -19.457 238 1HD2 LEU 29 2HD2 LEU 29 -4.551 -3.329 -18.069 239 2HD2 LEU 29 3HD2 LEU 29 -4.615 -2.225 -16.675 240 3HD2 LEU 29 1HD2 LEU 29 -5.698 -1.969 -18.064 241 H HIS 30 H HIS 30 -3.775 -5.000 -16.822 242 HA HIS 30 HA HIS 30 -4.516 -6.970 -17.463 243 1HB HIS 30 1HB HIS 30 -4.393 -5.895 -19.789 244 2HB HIS 30 2HB HIS 30 -2.906 -6.793 -20.012 245 HD1 HIS 30 HD1 HIS 30 -3.078 -9.315 -20.490 246 HD2 HIS 30 HD2 HIS 30 -6.766 -7.518 -19.609 247 HE1 HIS 30 HE1 HIS 30 -4.869 -11.041 -21.060 248 HE2 HIS 30 HE2 HIS 30 -7.110 -9.900 -20.445 249 H TYR 31 H TYR 31 -1.035 -6.496 -18.358 250 HA TYR 31 HA TYR 31 -0.061 -8.183 -16.400 251 1HB TYR 31 1HB TYR 31 -0.467 -10.265 -17.344 252 2HB TYR 31 2HB TYR 31 -1.307 -9.491 -18.675 253 HD1 TYR 31 HD1 TYR 31 -0.395 -9.514 -20.849 254 HD2 TYR 31 HD2 TYR 31 2.099 -10.491 -17.512 255 HE1 TYR 31 HE1 TYR 31 1.451 -10.251 -22.435 256 HE2 TYR 31 HE2 TYR 31 3.936 -11.223 -19.108 257 HH TYR 31 HH TYR 31 3.412 -11.134 -22.623 258 H LYS 32 H LYS 32 0.135 -6.372 -19.355 259 HA LYS 32 HA LYS 32 3.044 -6.639 -19.411 260 1HB LYS 32 1HB LYS 32 2.811 -5.389 -21.581 261 2HB LYS 32 2HB LYS 32 2.082 -6.982 -21.549 262 1HG LYS 32 1HG LYS 32 0.059 -5.196 -20.629 263 2HG LYS 32 2HG LYS 32 0.810 -4.394 -21.992 264 1HD LYS 32 1HD LYS 32 -0.375 -5.731 -23.385 265 2HD LYS 32 2HD LYS 32 0.536 -7.105 -22.795 266 1HE LYS 32 1HE LYS 32 -1.123 -7.277 -20.860 267 2HE LYS 32 2HE LYS 32 -2.075 -6.026 -21.633 268 1HZ LYS 32 1HZ LYS 32 -1.719 -7.711 -23.639 269 2HZ LYS 32 2HZ LYS 32 -1.724 -8.768 -22.394 270 3HZ LYS 32 3HZ LYS 32 -2.999 -7.775 -22.629 271 H VAL 33 H VAL 33 4.190 -4.431 -19.950 272 HA VAL 33 HA VAL 33 3.097 -2.474 -18.050 273 HB VAL 33 HB VAL 33 5.167 -2.120 -17.231 274 1HG1 VAL 33 3HG1 VAL 33 4.584 -4.720 -17.399 275 2HG1 VAL 33 1HG1 VAL 33 6.084 -4.732 -18.356 276 3HG1 VAL 33 2HG1 VAL 33 6.104 -4.134 -16.681 277 1HG2 VAL 33 2HG2 VAL 33 6.210 -2.730 -20.006 278 2HG2 VAL 33 3HG2 VAL 33 6.247 -1.189 -19.114 279 3HG2 VAL 33 1HG2 VAL 33 7.290 -2.538 -18.603 280 H TYR 34 H TYR 34 2.596 -0.462 -18.800 281 HA TYR 34 HA TYR 34 3.398 0.108 -21.572 282 1HB TYR 34 1HB TYR 34 1.077 1.144 -19.829 283 2HB TYR 34 2HB TYR 34 1.270 1.457 -21.542 284 HD1 TYR 34 HD1 TYR 34 1.024 -1.475 -19.206 285 HD2 TYR 34 HD2 TYR 34 0.025 0.177 -23.024 286 HE1 TYR 34 HE1 TYR 34 -0.358 -3.540 -19.744 287 HE2 TYR 34 HE2 TYR 34 -1.354 -1.895 -23.551 288 HH TYR 34 HH TYR 34 -2.547 -3.823 -21.532 289 H ASP 35 H ASP 35 4.040 2.270 -22.115 290 HA ASP 35 HA ASP 35 5.371 3.532 -19.934 291 1HB ASP 35 1HB ASP 35 5.866 3.279 -22.647 292 2HB ASP 35 2HB ASP 35 5.247 4.917 -22.570 293 H LEU 36 H LEU 36 3.530 4.348 -18.670 294 HA LEU 36 HA LEU 36 1.373 5.717 -19.657 295 1HB LEU 36 1HB LEU 36 2.859 5.797 -17.050 296 2HB LEU 36 2HB LEU 36 1.502 6.870 -17.334 297 HG LEU 36 HG LEU 36 1.550 3.909 -16.964 298 1HD1 LEU 36 3HD1 LEU 36 0.448 6.225 -15.657 299 2HD1 LEU 36 1HD1 LEU 36 -0.850 5.078 -16.068 300 3HD1 LEU 36 2HD1 LEU 36 0.539 4.540 -15.094 301 1HD2 LEU 36 3HD2 LEU 36 -0.366 5.356 -18.787 302 2HD2 LEU 36 1HD2 LEU 36 0.536 3.847 -19.071 303 3HD2 LEU 36 2HD2 LEU 36 -0.827 3.868 -17.926 304 H THR 37 H THR 37 4.735 6.666 -19.544 305 HA THR 37 HA THR 37 4.424 9.450 -19.475 306 HB THR 37 HB THR 37 6.512 7.453 -20.383 307 HG1 THR 37 HG1 THR 37 7.563 9.020 -18.719 308 1HG2 THR 37 1HG2 THR 37 6.531 9.518 -21.971 309 2HG2 THR 37 2HG2 THR 37 6.907 10.477 -20.519 310 3HG2 THR 37 3HG2 THR 37 8.025 9.201 -21.059 311 H LYS 38 H LYS 38 3.339 7.193 -21.799 312 HA LYS 38 HA LYS 38 3.431 9.237 -23.896 313 1HB LYS 38 1HB LYS 38 3.249 6.236 -23.917 314 2HB LYS 38 2HB LYS 38 2.626 7.152 -25.273 315 1HG LYS 38 1HG LYS 38 5.149 8.324 -24.682 316 2HG LYS 38 2HG LYS 38 5.404 6.596 -24.546 317 1HD LYS 38 1HD LYS 38 5.725 6.794 -26.826 318 2HD LYS 38 2HD LYS 38 3.986 6.564 -26.839 319 1HE LYS 38 1HE LYS 38 3.900 9.206 -26.589 320 2HE LYS 38 2HE LYS 38 5.552 9.140 -27.169 321 1HZ LYS 38 1HZ LYS 38 3.843 7.502 -28.710 322 2HZ LYS 38 2HZ LYS 38 3.319 9.049 -28.693 323 3HZ LYS 38 3HZ LYS 38 4.835 8.707 -29.195 324 H PHE 39 H PHE 39 1.455 7.918 -21.436 325 HA PHE 39 HA PHE 39 -0.993 8.447 -22.922 326 1HB PHE 39 1HB PHE 39 -0.395 7.404 -20.087 327 2HB PHE 39 2HB PHE 39 -1.989 7.428 -20.816 328 HD1 PHE 39 HD1 PHE 39 -2.757 5.504 -21.834 329 HD2 PHE 39 HD2 PHE 39 1.432 6.093 -21.495 330 HE1 PHE 39 HE1 PHE 39 -2.360 3.216 -22.783 331 HE2 PHE 39 HE2 PHE 39 1.829 3.803 -22.444 332 HZ PHE 39 HZ PHE 39 -0.071 2.392 -23.076 333 H LEU 40 H LEU 40 1.233 10.306 -21.379 334 HA LEU 40 HA LEU 40 -0.550 11.767 -19.655 335 1HB LEU 40 1HB LEU 40 2.327 11.653 -20.225 336 2HB LEU 40 2HB LEU 40 1.728 13.274 -19.940 337 HG LEU 40 HG LEU 40 0.602 12.179 -17.823 338 1HD1 LEU 40 3HD1 LEU 40 2.511 10.099 -18.751 339 2HD1 LEU 40 1HD1 LEU 40 2.487 10.460 -17.006 340 3HD1 LEU 40 2HD1 LEU 40 0.994 9.948 -17.832 341 1HD2 LEU 40 2HD2 LEU 40 3.183 13.422 -18.335 342 2HD2 LEU 40 3HD2 LEU 40 2.014 13.700 -17.022 343 3HD2 LEU 40 1HD2 LEU 40 3.209 12.388 -16.887 344 H GLU 41 H GLU 41 -1.155 11.430 -22.601 345 HA GLU 41 HA GLU 41 -0.981 14.237 -23.359 346 1HB GLU 41 1HB GLU 41 -0.156 12.170 -24.841 347 2HB GLU 41 2HB GLU 41 -1.849 12.080 -25.280 348 1HG GLU 41 1HG GLU 41 -1.772 14.532 -25.910 349 2HG GLU 41 2HG GLU 41 -0.054 14.536 -25.563 350 H GLU 42 H GLU 42 -3.251 11.418 -23.799 351 HA GLU 42 HA GLU 42 -5.427 13.314 -23.722 352 1HB GLU 42 1HB GLU 42 -5.036 11.223 -25.369 353 2HB GLU 42 2HB GLU 42 -5.865 10.359 -24.091 354 1HG GLU 42 1HG GLU 42 -7.674 12.207 -24.203 355 2HG GLU 42 2HG GLU 42 -6.898 12.748 -25.678 356 H HIS 43 H HIS 43 -7.201 10.913 -22.815 357 HA HIS 43 HA HIS 43 -7.819 9.887 -20.934 358 1HB HIS 43 1HB HIS 43 -5.160 10.255 -20.355 359 2HB HIS 43 2HB HIS 43 -5.926 11.151 -19.058 360 HD1 HIS 43 HD1 HIS 43 -4.511 8.042 -19.397 361 HD2 HIS 43 HD2 HIS 43 -8.358 9.211 -18.201 362 HE1 HIS 43 HE1 HIS 43 -5.458 6.101 -18.037 363 HE2 HIS 43 HE2 HIS 43 -7.801 6.899 -17.284 364 HA PRO 44 HA PRO 44 -10.217 13.383 -19.848 365 1HB PRO 44 1HB PRO 44 -12.436 12.024 -19.014 366 2HB PRO 44 2HB PRO 44 -12.144 12.445 -20.690 367 1HG PRO 44 1HG PRO 44 -11.892 9.814 -19.370 368 2HG PRO 44 2HG PRO 44 -12.021 10.176 -21.079 369 1HD PRO 44 1HD PRO 44 -9.639 9.454 -19.653 370 2HD PRO 44 2HD PRO 44 -9.749 9.929 -21.337 371 H GLY 45 H GLY 45 -8.502 11.454 -17.973 372 1HA GLY 45 2HA GLY 45 -8.592 11.075 -15.644 373 2HA GLY 45 1HA GLY 45 -9.732 12.395 -15.469 374 H GLY 46 H GLY 46 -6.561 12.178 -17.232 375 1HA GLY 46 2HA GLY 46 -5.574 14.357 -15.490 376 2HA GLY 46 1HA GLY 46 -5.358 14.366 -17.231 377 H GLU 47 H GLU 47 -3.032 14.377 -17.003 378 HA GLU 47 HA GLU 47 -1.757 12.112 -17.401 379 1HB GLU 47 1HB GLU 47 -0.825 14.604 -15.942 380 2HB GLU 47 2HB GLU 47 0.284 13.287 -16.264 381 1HG GLU 47 1HG GLU 47 0.621 14.408 -18.241 382 2HG GLU 47 2HG GLU 47 -0.809 13.531 -18.746 383 H GLU 48 H GLU 48 -2.457 13.510 -14.139 384 HA GLU 48 HA GLU 48 -1.060 11.702 -12.650 385 1HB GLU 48 1HB GLU 48 -2.744 13.830 -12.140 386 2HB GLU 48 2HB GLU 48 -3.699 12.493 -11.529 387 1HG GLU 48 1HG GLU 48 -1.154 11.896 -10.552 388 2HG GLU 48 2HG GLU 48 -1.178 13.647 -10.473 389 H VAL 49 H VAL 49 -4.436 11.492 -13.931 390 HA VAL 49 HA VAL 49 -5.385 9.299 -12.730 391 HB VAL 49 HB VAL 49 -6.338 10.758 -14.604 392 1HG1 VAL 49 1HG1 VAL 49 -4.337 9.586 -16.112 393 2HG1 VAL 49 2HG1 VAL 49 -5.792 8.684 -16.604 394 3HG1 VAL 49 3HG1 VAL 49 -5.753 10.457 -16.748 395 1HG2 VAL 49 3HG2 VAL 49 -7.284 8.573 -13.465 396 2HG2 VAL 49 1HG2 VAL 49 -8.087 9.282 -14.886 397 3HG2 VAL 49 2HG2 VAL 49 -7.015 7.874 -15.081 398 H LEU 50 H LEU 50 -2.620 9.475 -14.925 399 HA LEU 50 HA LEU 50 -2.492 6.548 -14.948 400 1HB LEU 50 1HB LEU 50 -0.998 8.558 -16.637 401 2HB LEU 50 2HB LEU 50 -0.923 6.814 -16.786 402 HG LEU 50 HG LEU 50 -3.670 7.699 -16.967 403 1HD1 LEU 50 3HD1 LEU 50 -1.794 9.525 -18.118 404 2HD1 LEU 50 1HD1 LEU 50 -2.658 8.685 -19.429 405 3HD1 LEU 50 2HD1 LEU 50 -3.574 9.554 -18.174 406 1HD2 LEU 50 3HD2 LEU 50 -2.633 5.540 -17.752 407 2HD2 LEU 50 1HD2 LEU 50 -3.701 6.353 -18.922 408 3HD2 LEU 50 2HD2 LEU 50 -1.933 6.457 -19.108 409 H ARG 51 H ARG 51 -0.846 9.557 -13.948 410 HA ARG 51 HA ARG 51 1.543 8.330 -13.238 411 1HB ARG 51 1HB ARG 51 0.774 10.901 -13.459 412 2HB ARG 51 2HB ARG 51 0.521 10.746 -11.732 413 1HG ARG 51 1HG ARG 51 3.105 9.608 -12.643 414 2HG ARG 51 2HG ARG 51 2.954 11.325 -12.962 415 1HD ARG 51 1HD ARG 51 1.937 10.883 -10.310 416 2HD ARG 51 2HD ARG 51 3.441 9.994 -10.430 417 HE ARG 51 HE ARG 51 3.924 12.527 -11.593 418 1HH1 ARG 51 2HH1 ARG 51 4.910 14.232 -10.434 419 2HH1 ARG 51 1HH1 ARG 51 4.860 14.245 -8.703 420 1HH2 ARG 51 2HH2 ARG 51 3.043 11.238 -8.439 421 2HH2 ARG 51 1HH2 ARG 51 3.790 12.531 -7.561 422 H GLU 52 H GLU 52 -1.518 9.039 -11.464 423 HA GLU 52 HA GLU 52 -0.588 8.353 -8.950 424 1HB GLU 52 1HB GLU 52 -2.971 8.199 -8.338 425 2HB GLU 52 2HB GLU 52 -2.687 9.597 -9.355 426 1HG GLU 52 1HG GLU 52 -3.980 8.778 -11.057 427 2HG GLU 52 2HG GLU 52 -3.315 7.164 -10.915 428 H GLN 53 H GLN 53 -1.109 6.419 -11.746 429 HA GLN 53 HA GLN 53 -1.401 4.048 -10.077 430 1HB GLN 53 1HB GLN 53 -2.122 2.913 -12.205 431 2HB GLN 53 2HB GLN 53 -3.184 4.217 -11.714 432 1HG GLN 53 1HG GLN 53 -2.004 5.762 -13.303 433 2HG GLN 53 2HG GLN 53 -0.966 4.441 -13.805 434 1HE2 GLN 53 1HE2 GLN 53 -4.129 5.846 -13.919 435 2HE2 GLN 53 2HE2 GLN 53 -4.822 4.836 -15.144 436 H ALA 54 H ALA 54 0.728 5.874 -12.151 437 HA ALA 54 HA ALA 54 2.336 3.800 -13.122 438 1HB ALA 54 1HB ALA 54 2.151 6.469 -13.535 439 2HB ALA 54 3HB ALA 54 3.585 5.514 -13.981 440 3HB ALA 54 2HB ALA 54 3.568 6.434 -12.457 441 H GLY 55 H GLY 55 3.934 2.574 -12.201 442 1HA GLY 55 2HA GLY 55 4.675 3.261 -9.419 443 2HA GLY 55 1HA GLY 55 5.811 2.642 -10.600 444 H GLY 56 H GLY 56 3.319 0.966 -11.671 445 1HA GLY 56 2HA GLY 56 2.941 -0.948 -9.531 446 2HA GLY 56 1HA GLY 56 3.979 -1.501 -10.830 447 H ASP 57 H ASP 57 1.726 -2.953 -10.513 448 HA ASP 57 HA ASP 57 0.498 -2.712 -12.976 449 1HB ASP 57 1HB ASP 57 0.269 -4.865 -12.191 450 2HB ASP 57 2HB ASP 57 0.189 -4.355 -10.516 451 H ALA 58 H ALA 58 -1.407 -1.624 -13.616 452 HA ALA 58 HA ALA 58 -2.842 -0.207 -11.474 453 1HB ALA 58 3HB ALA 58 -1.485 1.155 -13.150 454 2HB ALA 58 1HB ALA 58 -2.628 0.601 -14.396 455 3HB ALA 58 2HB ALA 58 -3.210 1.579 -13.027 456 H THR 59 H THR 59 -2.939 -2.643 -13.926 457 HA THR 59 HA THR 59 -5.477 -2.498 -14.938 458 HB THR 59 HB THR 59 -3.404 -4.211 -15.160 459 HG1 THR 59 HG1 THR 59 -5.608 -3.914 -16.313 460 1HG2 THR 59 2HG2 THR 59 -5.442 -5.608 -13.348 461 2HG2 THR 59 3HG2 THR 59 -4.214 -6.460 -14.317 462 3HG2 THR 59 1HG2 THR 59 -3.711 -5.371 -13.001 463 H GLU 60 H GLU 60 -4.480 -3.962 -11.781 464 HA GLU 60 HA GLU 60 -6.825 -4.971 -11.001 465 1HB GLU 60 1HB GLU 60 -4.396 -4.091 -9.734 466 2HB GLU 60 2HB GLU 60 -5.733 -3.564 -8.734 467 1HG GLU 60 1HG GLU 60 -6.322 -6.246 -9.608 468 2HG GLU 60 2HG GLU 60 -4.664 -6.233 -9.040 469 H ASN 61 H ASN 61 -5.975 -1.546 -11.346 470 HA ASN 61 HA ASN 61 -8.432 -0.799 -10.016 471 1HB ASN 61 1HB ASN 61 -5.862 0.387 -10.207 472 2HB ASN 61 2HB ASN 61 -6.872 1.393 -11.227 473 1HD2 ASN 61 1HD2 ASN 61 -5.801 0.839 -8.147 474 2HD2 ASN 61 2HD2 ASN 61 -6.982 1.708 -7.226 475 H PHE 62 H PHE 62 -6.579 -0.243 -13.107 476 HA PHE 62 HA PHE 62 -8.457 1.165 -14.496 477 1HB PHE 62 1HB PHE 62 -6.523 0.915 -15.766 478 2HB PHE 62 2HB PHE 62 -6.108 -0.583 -14.957 479 HD1 PHE 62 HD1 PHE 62 -7.502 -2.684 -15.689 480 HD2 PHE 62 HD2 PHE 62 -7.130 0.855 -18.002 481 HE1 PHE 62 HE1 PHE 62 -8.112 -3.970 -17.756 482 HE2 PHE 62 HE2 PHE 62 -7.738 -0.433 -20.070 483 HZ PHE 62 HZ PHE 62 -8.222 -2.829 -19.922 484 H GLU 63 H GLU 63 -8.626 -2.143 -13.412 485 HA GLU 63 HA GLU 63 -10.433 -2.938 -15.473 486 1HB GLU 63 1HB GLU 63 -9.095 -4.204 -13.128 487 2HB GLU 63 2HB GLU 63 -10.668 -4.867 -13.529 488 1HG GLU 63 1HG GLU 63 -9.335 -4.538 -16.022 489 2HG GLU 63 2HG GLU 63 -8.123 -5.186 -14.934 490 H ASP 64 H ASP 64 -10.558 -1.706 -12.123 491 HA ASP 64 HA ASP 64 -13.232 -2.358 -11.680 492 1HB ASP 64 1HB ASP 64 -12.056 -1.830 -9.723 493 2HB ASP 64 2HB ASP 64 -11.204 -0.493 -10.470 494 H VAL 65 H VAL 65 -11.509 0.274 -13.339 495 HA VAL 65 HA VAL 65 -13.850 1.967 -13.433 496 HB VAL 65 HB VAL 65 -12.152 3.404 -13.376 497 1HG1 VAL 65 2HG1 VAL 65 -10.377 1.202 -14.472 498 2HG1 VAL 65 3HG1 VAL 65 -9.800 2.831 -14.049 499 3HG1 VAL 65 1HG1 VAL 65 -10.487 1.775 -12.791 500 1HG2 VAL 65 1HG2 VAL 65 -11.838 2.547 -16.272 501 2HG2 VAL 65 2HG2 VAL 65 -12.967 3.770 -15.644 502 3HG2 VAL 65 3HG2 VAL 65 -11.212 4.058 -15.570 503 H GLY 66 H GLY 66 -13.145 -0.895 -14.841 504 1HA GLY 66 2HA GLY 66 -15.014 -1.049 -16.706 505 2HA GLY 66 1HA GLY 66 -13.453 -1.822 -16.904 506 H HIS 67 H HIS 67 -11.655 -0.473 -17.920 507 HA HIS 67 HA HIS 67 -12.327 1.883 -19.294 508 1HB HIS 67 1HB HIS 67 -10.018 -0.042 -19.352 509 2HB HIS 67 2HB HIS 67 -10.132 1.219 -20.563 510 HD1 HIS 67 HD1 HIS 67 -9.627 0.705 -16.852 511 HD2 HIS 67 HD2 HIS 67 -9.584 3.825 -19.656 512 HE1 HIS 67 HE1 HIS 67 -8.625 2.726 -15.659 513 HE2 HIS 67 HE2 HIS 67 -8.575 4.595 -17.447 514 H SER 68 H SER 68 -11.614 1.773 -21.886 515 HA SER 68 HA SER 68 -13.589 -0.077 -22.952 516 1HB SER 68 1HB SER 68 -14.095 1.498 -24.589 517 2HB SER 68 2HB SER 68 -13.650 2.549 -23.258 518 HG SER 68 HG SER 68 -12.473 3.335 -24.967 519 H THR 69 H THR 69 -13.092 -1.256 -24.953 520 HA THR 69 HA THR 69 -10.609 -2.453 -24.987 521 HB THR 69 HB THR 69 -11.428 -3.077 -27.398 522 HG1 THR 69 HG1 THR 69 -13.693 -2.326 -27.646 523 1HG2 THR 69 1HG2 THR 69 -12.017 -4.391 -25.252 524 2HG2 THR 69 2HG2 THR 69 -13.511 -3.426 -25.186 525 3HG2 THR 69 3HG2 THR 69 -13.208 -4.504 -26.570 526 H ASP 70 H ASP 70 -11.668 0.585 -26.490 527 HA ASP 70 HA ASP 70 -9.560 0.766 -28.289 528 1HB ASP 70 1HB ASP 70 -11.620 2.169 -28.365 529 2HB ASP 70 2HB ASP 70 -11.150 2.959 -26.874 530 H ALA 71 H ALA 71 -10.107 2.024 -24.923 531 HA ALA 71 HA ALA 71 -7.783 3.476 -24.637 532 1HB ALA 71 2HB ALA 71 -8.173 2.680 -22.127 533 2HB ALA 71 3HB ALA 71 -9.313 3.786 -22.929 534 3HB ALA 71 1HB ALA 71 -9.693 2.052 -22.807 535 H ARG 72 H ARG 72 -8.417 -0.026 -23.938 536 HA ARG 72 HA ARG 72 -5.884 -0.554 -23.007 537 1HB ARG 72 1HB ARG 72 -7.678 -2.497 -24.541 538 2HB ARG 72 2HB ARG 72 -6.456 -2.919 -23.358 539 1HG ARG 72 1HG ARG 72 -7.747 -1.714 -21.589 540 2HG ARG 72 2HG ARG 72 -8.967 -1.280 -22.769 541 1HD ARG 72 1HD ARG 72 -8.386 -3.965 -21.535 542 2HD ARG 72 2HD ARG 72 -9.934 -3.205 -21.856 543 HE ARG 72 HE ARG 72 -9.877 -4.015 -24.083 544 1HH1 ARG 72 2HH1 ARG 72 -9.122 -5.454 -25.690 545 2HH1 ARG 72 1HH1 ARG 72 -7.570 -6.203 -25.522 546 1HH2 ARG 72 2HH2 ARG 72 -6.829 -4.655 -22.446 547 2HH2 ARG 72 1HH2 ARG 72 -6.257 -5.746 -23.663 548 H GLU 73 H GLU 73 -7.284 -0.530 -26.320 549 HA GLU 73 HA GLU 73 -5.124 -1.763 -27.565 550 1HB GLU 73 1HB GLU 73 -7.625 -0.533 -28.318 551 2HB GLU 73 2HB GLU 73 -6.372 0.087 -29.373 552 1HG GLU 73 1HG GLU 73 -5.638 -2.261 -29.868 553 2HG GLU 73 2HG GLU 73 -6.911 -2.871 -28.829 554 H LEU 74 H LEU 74 -5.971 1.719 -27.027 555 HA LEU 74 HA LEU 74 -3.872 2.829 -28.432 556 1HB LEU 74 1HB LEU 74 -4.728 4.734 -27.698 557 2HB LEU 74 2HB LEU 74 -5.991 3.740 -27.001 558 HG LEU 74 HG LEU 74 -4.116 3.704 -25.000 559 1HD1 LEU 74 1HD1 LEU 74 -2.837 5.419 -26.433 560 2HD1 LEU 74 2HD1 LEU 74 -4.100 6.568 -25.932 561 3HD1 LEU 74 3HD1 LEU 74 -3.082 5.773 -24.706 562 1HD2 LEU 74 1HD2 LEU 74 -6.702 4.902 -25.514 563 2HD2 LEU 74 2HD2 LEU 74 -6.041 4.209 -24.014 564 3HD2 LEU 74 3HD2 LEU 74 -5.729 5.913 -24.420 565 H SER 75 H SER 75 -4.007 1.445 -25.124 566 HA SER 75 HA SER 75 -1.520 2.383 -24.331 567 1HB SER 75 1HB SER 75 -3.557 1.073 -23.100 568 2HB SER 75 2HB SER 75 -2.462 -0.277 -23.322 569 HG SER 75 HG SER 75 -2.322 1.228 -21.298 570 H LYS 76 H LYS 76 -2.591 -0.486 -26.190 571 HA LYS 76 HA LYS 76 -0.201 -1.925 -26.048 572 1HB LYS 76 1HB LYS 76 -1.345 -3.414 -27.263 573 2HB LYS 76 2HB LYS 76 -2.716 -2.340 -27.068 574 1HG LYS 76 1HG LYS 76 -2.040 -1.147 -29.190 575 2HG LYS 76 2HG LYS 76 -0.733 -2.297 -29.394 576 1HD LYS 76 1HD LYS 76 -2.565 -4.145 -29.257 577 2HD LYS 76 2HD LYS 76 -3.726 -2.849 -29.462 578 1HE LYS 76 1HE LYS 76 -2.009 -2.237 -31.501 579 2HE LYS 76 2HE LYS 76 -1.763 -3.970 -31.430 580 1HZ LYS 76 3HZ LYS 76 -4.500 -3.092 -31.319 581 2HZ LYS 76 1HZ LYS 76 -3.739 -2.850 -32.743 582 3HZ LYS 76 2HZ LYS 76 -3.843 -4.356 -32.117 583 H THR 77 H THR 77 -0.952 1.092 -27.529 584 HA THR 77 HA THR 77 1.078 0.809 -29.590 585 HB THR 77 HB THR 77 -1.289 2.063 -29.628 586 HG1 THR 77 HG1 THR 77 -0.101 2.364 -31.486 587 1HG2 THR 77 3HG2 THR 77 0.035 3.654 -27.725 588 2HG2 THR 77 1HG2 THR 77 0.287 4.535 -29.251 589 3HG2 THR 77 2HG2 THR 77 -1.363 4.161 -28.702 590 H PHE 78 H PHE 78 0.754 1.931 -26.285 591 HA PHE 78 HA PHE 78 3.335 3.289 -26.541 592 1HB PHE 78 1HB PHE 78 1.088 3.267 -24.440 593 2HB PHE 78 2HB PHE 78 2.586 4.148 -24.213 594 HD1 PHE 78 HD1 PHE 78 2.387 4.659 -27.471 595 HD2 PHE 78 HD2 PHE 78 0.067 5.558 -24.035 596 HE1 PHE 78 HE1 PHE 78 1.401 6.640 -28.656 597 HE2 PHE 78 HE2 PHE 78 -0.921 7.540 -25.219 598 HZ PHE 78 HZ PHE 78 -0.242 8.056 -27.516 599 H ILE 79 H ILE 79 2.154 0.259 -25.906 600 HA ILE 79 HA ILE 79 3.190 -0.469 -23.462 601 HB ILE 79 HB ILE 79 2.403 -1.800 -25.966 602 1HG1 ILE 79 1HG1 ILE 79 1.860 -2.116 -23.016 603 2HG1 ILE 79 2HG1 ILE 79 0.762 -1.612 -24.284 604 1HG2 ILE 79 1HG2 ILE 79 4.613 -2.795 -25.698 605 2HG2 ILE 79 2HG2 ILE 79 4.239 -3.208 -24.007 606 3HG2 ILE 79 3HG2 ILE 79 3.334 -3.977 -25.332 607 1HD1 ILE 79 1HD1 ILE 79 1.165 -3.965 -25.329 608 2HD1 ILE 79 2HD1 ILE 79 1.858 -4.392 -23.747 609 3HD1 ILE 79 3HD1 ILE 79 0.159 -3.872 -23.863 610 H ILE 80 H ILE 80 5.205 -0.911 -22.646 611 HA ILE 80 HA ILE 80 7.421 -0.436 -24.509 612 HB ILE 80 HB ILE 80 8.556 -0.193 -22.095 613 1HG1 ILE 80 1HG1 ILE 80 5.773 0.903 -21.629 614 2HG1 ILE 80 2HG1 ILE 80 6.308 -0.645 -21.007 615 1HG2 ILE 80 3HG2 ILE 80 7.130 1.841 -23.803 616 2HG2 ILE 80 1HG2 ILE 80 8.055 2.309 -22.355 617 3HG2 ILE 80 2HG2 ILE 80 8.869 1.478 -23.701 618 1HD1 ILE 80 3HD1 ILE 80 8.398 0.886 -20.177 619 2HD1 ILE 80 1HD1 ILE 80 7.113 2.118 -20.186 620 3HD1 ILE 80 2HD1 ILE 80 6.930 0.645 -19.202 621 H GLY 81 H GLY 81 6.002 -2.638 -22.082 622 1HA GLY 81 2HA GLY 81 8.112 -4.379 -21.682 623 2HA GLY 81 1HA GLY 81 7.365 -4.874 -23.187 624 H GLU 82 H GLU 82 7.441 -6.249 -20.513 625 HA GLU 82 HA GLU 82 4.700 -6.061 -19.659 626 1HB GLU 82 1HB GLU 82 5.686 -8.821 -20.378 627 2HB GLU 82 2HB GLU 82 4.039 -8.245 -20.217 628 1HG GLU 82 1HG GLU 82 4.369 -6.830 -22.285 629 2HG GLU 82 2HG GLU 82 5.976 -7.508 -22.463 630 H LEU 83 H LEU 83 4.334 -7.647 -17.721 631 HA LEU 83 HA LEU 83 6.538 -7.257 -15.944 632 1HB LEU 83 1HB LEU 83 4.031 -7.034 -15.471 633 2HB LEU 83 2HB LEU 83 4.003 -8.784 -15.389 634 HG LEU 83 HG LEU 83 4.411 -8.525 -13.212 635 1HD1 LEU 83 3HD1 LEU 83 7.137 -7.837 -14.317 636 2HD1 LEU 83 1HD1 LEU 83 6.830 -8.082 -12.581 637 3HD1 LEU 83 2HD1 LEU 83 6.537 -9.408 -13.733 638 1HD2 LEU 83 1HD2 LEU 83 4.513 -5.774 -14.000 639 2HD2 LEU 83 2HD2 LEU 83 4.074 -6.482 -12.426 640 3HD2 LEU 83 3HD2 LEU 83 5.772 -6.078 -12.779 641 H HIS 84 H HIS 84 8.247 -8.590 -15.743 642 HA HIS 84 HA HIS 84 8.324 -11.050 -17.078 643 1HB HIS 84 1HB HIS 84 10.134 -9.295 -15.830 644 2HB HIS 84 2HB HIS 84 10.297 -10.808 -14.963 645 HD1 HIS 84 HD1 HIS 84 12.765 -10.674 -16.177 646 HD2 HIS 84 HD2 HIS 84 9.467 -11.534 -18.622 647 HE1 HIS 84 HE1 HIS 84 13.709 -11.680 -18.322 648 HE2 HIS 84 HE2 HIS 84 11.636 -12.240 -19.763 649 HA PRO 85 HA PRO 85 7.209 -13.898 -13.983 650 1HB PRO 85 1HB PRO 85 9.295 -15.607 -13.544 651 2HB PRO 85 2HB PRO 85 8.248 -15.713 -14.945 652 1HG PRO 85 1HG PRO 85 11.018 -14.696 -14.775 653 2HG PRO 85 2HG PRO 85 10.120 -15.203 -16.191 654 1HD PRO 85 1HD PRO 85 10.663 -12.506 -15.378 655 2HD PRO 85 2HD PRO 85 9.668 -13.014 -16.729 656 H ASP 86 H ASP 86 9.067 -11.481 -13.150 657 HA ASP 86 HA ASP 86 9.865 -12.404 -10.589 658 1HB ASP 86 1HB ASP 86 11.257 -10.658 -11.081 659 2HB ASP 86 2HB ASP 86 10.132 -9.976 -12.239 660 H ASP 87 H ASP 87 7.025 -10.989 -12.107 661 HA ASP 87 HA ASP 87 5.601 -11.176 -9.667 662 1HB ASP 87 1HB ASP 87 6.526 -8.542 -10.695 663 2HB ASP 87 2HB ASP 87 4.805 -8.608 -10.369 664 H ARG 88 H ARG 88 5.482 -12.460 -12.244 665 HA ARG 88 HA ARG 88 3.606 -11.135 -13.875 666 1HB ARG 88 1HB ARG 88 5.343 -13.350 -14.118 667 2HB ARG 88 2HB ARG 88 3.746 -14.063 -14.223 668 1HG ARG 88 1HG ARG 88 3.202 -12.923 -16.188 669 2HG ARG 88 2HG ARG 88 4.232 -11.555 -15.814 670 1HD ARG 88 1HD ARG 88 6.057 -12.491 -16.838 671 2HD ARG 88 2HD ARG 88 5.754 -14.074 -16.149 672 HE ARG 88 HE ARG 88 3.756 -13.487 -18.143 673 1HH1 ARG 88 2HH1 ARG 88 3.856 -14.506 -20.185 674 2HH1 ARG 88 1HH1 ARG 88 5.340 -15.219 -20.726 675 1HH2 ARG 88 2HH2 ARG 88 7.149 -14.367 -17.827 676 2HH2 ARG 88 1HH2 ARG 88 7.225 -15.139 -19.375 677 H SER 89 H SER 89 3.323 -14.433 -12.360 678 HA SER 89 HA SER 89 0.575 -14.442 -12.438 679 1HB SER 89 1HB SER 89 0.845 -16.291 -10.652 680 2HB SER 89 2HB SER 89 1.652 -16.537 -12.189 681 HG SER 89 HG SER 89 3.218 -15.153 -10.318 682 H LYS 90 H LYS 90 2.578 -12.442 -10.617 683 HA LYS 90 HA LYS 90 1.005 -12.453 -8.203 684 1HB LYS 90 1HB LYS 90 3.561 -11.341 -9.121 685 2HB LYS 90 2HB LYS 90 2.640 -10.219 -8.141 686 1HG LYS 90 1HG LYS 90 3.316 -11.347 -6.295 687 2HG LYS 90 2HG LYS 90 2.360 -12.717 -6.827 688 1HD LYS 90 1HD LYS 90 4.285 -13.577 -8.147 689 2HD LYS 90 2HD LYS 90 5.242 -12.181 -7.693 690 1HE LYS 90 1HE LYS 90 5.924 -13.886 -6.171 691 2HE LYS 90 2HE LYS 90 4.842 -12.876 -5.232 692 1HZ LYS 90 3HZ LYS 90 3.601 -15.037 -6.671 693 2HZ LYS 90 1HZ LYS 90 4.569 -15.478 -5.432 694 3HZ LYS 90 2HZ LYS 90 3.303 -14.481 -5.166 695 H ILE 91 H ILE 91 1.094 -10.819 -11.326 696 HA ILE 91 HA ILE 91 -1.182 -9.216 -10.420 697 HB ILE 91 HB ILE 91 -0.356 -7.255 -11.161 698 1HG1 ILE 91 1HG1 ILE 91 1.357 -8.781 -13.140 699 2HG1 ILE 91 2HG1 ILE 91 -0.106 -7.880 -13.484 700 1HG2 ILE 91 3HG2 ILE 91 1.267 -8.472 -9.482 701 2HG2 ILE 91 1HG2 ILE 91 2.395 -8.398 -10.857 702 3HG2 ILE 91 2HG2 ILE 91 1.695 -6.900 -10.198 703 1HD1 ILE 91 3HD1 ILE 91 1.804 -6.196 -12.050 704 2HD1 ILE 91 1HD1 ILE 91 2.538 -6.888 -13.516 705 3HD1 ILE 91 2HD1 ILE 91 1.042 -5.933 -13.638 706 H THR 92 H THR 92 0.706 -10.596 -13.177 707 HA THR 92 HA THR 92 -0.805 -10.248 -15.302 708 HB THR 92 HB THR 92 1.204 -11.898 -14.757 709 HG1 THR 92 HG1 THR 92 0.800 -12.131 -16.919 710 1HG2 THR 92 1HG2 THR 92 -0.651 -13.412 -13.483 711 2HG2 THR 92 2HG2 THR 92 -0.934 -13.988 -15.143 712 3HG2 THR 92 3HG2 THR 92 0.680 -14.149 -14.407 713 H LYS 93 H LYS 93 -2.863 -10.344 -15.941 714 HA LYS 93 HA LYS 93 -4.595 -12.222 -14.497 715 1HB LYS 93 1HB LYS 93 -4.939 -9.278 -14.942 716 2HB LYS 93 2HB LYS 93 -6.361 -10.301 -14.974 717 1HG LYS 93 1HG LYS 93 -4.609 -11.005 -12.725 718 2HG LYS 93 2HG LYS 93 -5.040 -9.306 -12.677 719 1HD LYS 93 1HD LYS 93 -7.426 -9.832 -12.742 720 2HD LYS 93 2HD LYS 93 -7.102 -11.524 -13.057 721 1HE LYS 93 1HE LYS 93 -7.433 -11.653 -10.766 722 2HE LYS 93 2HE LYS 93 -5.710 -11.332 -10.762 723 1HZ LYS 93 1HZ LYS 93 -6.495 -8.896 -10.757 724 2HZ LYS 93 2HZ LYS 93 -7.898 -9.506 -10.187 725 3HZ LYS 93 3HZ LYS 93 -6.509 -9.745 -9.363 726 HA PRO 94 HA PRO 94 -5.443 -13.452 -18.571 727 1HB PRO 94 1HB PRO 94 -7.342 -15.341 -18.029 728 2HB PRO 94 2HB PRO 94 -5.621 -15.659 -17.937 729 1HG PRO 94 1HG PRO 94 -7.554 -15.263 -15.735 730 2HG PRO 94 2HG PRO 94 -5.959 -15.989 -15.679 731 1HD PRO 94 1HD PRO 94 -6.681 -13.359 -14.792 732 2HD PRO 94 2HD PRO 94 -5.068 -14.041 -14.844 733 H SER 95 H SER 95 -8.237 -12.926 -16.479 734 HA SER 95 HA SER 95 -9.223 -11.059 -18.374 735 1HB SER 95 1HB SER 95 -10.005 -13.737 -18.756 736 2HB SER 95 2HB SER 95 -11.357 -13.025 -17.897 737 HG SER 95 HG SER 95 -10.749 -12.774 -20.509 738 H GLU 96 H GLU 96 -10.527 -13.315 -15.819 739 HA GLU 96 HA GLU 96 -11.392 -12.947 -13.859 740 1HB GLU 96 1HB GLU 96 -9.339 -11.280 -13.744 741 2HB GLU 96 2HB GLU 96 -10.568 -10.035 -13.832 742 1HG GLU 96 1HG GLU 96 -11.302 -12.127 -11.900 743 2HG GLU 96 2HG GLU 96 -9.743 -11.426 -11.517 744 H SER 97 H SER 97 -13.133 -11.507 -12.654 745 HA SER 97 HA SER 97 -14.594 -9.709 -14.214 746 1HB SER 97 1HB SER 97 -15.147 -12.467 -14.747 747 2HB SER 97 2HB SER 97 -16.509 -11.851 -13.831 748 HG SER 97 HG SER 97 -15.471 -10.913 -16.351 749 H ILE 98 H ILE 98 -16.707 -9.096 -13.039 750 HA ILE 98 HA ILE 98 -17.194 -10.134 -10.466 751 HB ILE 98 HB ILE 98 -14.996 -8.907 -10.155 752 1HG1 ILE 98 1HG1 ILE 98 -17.168 -7.786 -8.394 753 2HG1 ILE 98 2HG1 ILE 98 -16.844 -9.509 -8.411 754 1HG2 ILE 98 3HG2 ILE 98 -16.475 -6.807 -11.388 755 2HG2 ILE 98 1HG2 ILE 98 -16.101 -6.317 -9.718 756 3HG2 ILE 98 2HG2 ILE 98 -14.789 -6.803 -10.817 757 1HD1 ILE 98 3HD1 ILE 98 -14.744 -7.352 -7.891 758 2HD1 ILE 98 1HD1 ILE 98 -15.543 -8.333 -6.637 759 3HD1 ILE 98 2HD1 ILE 98 -14.474 -9.111 -7.830 760 H ILE 99 H ILE 99 -18.968 -8.898 -9.374 761 HA ILE 99 HA ILE 99 -20.319 -7.059 -11.199 762 HB ILE 99 HB ILE 99 -21.680 -9.412 -9.886 763 1HG1 ILE 99 1HG1 ILE 99 -20.031 -9.965 -11.763 764 2HG1 ILE 99 2HG1 ILE 99 -21.671 -10.566 -11.916 765 1HG2 ILE 99 1HG2 ILE 99 -23.067 -7.381 -10.208 766 2HG2 ILE 99 2HG2 ILE 99 -22.714 -7.451 -11.952 767 3HG2 ILE 99 3HG2 ILE 99 -23.616 -8.773 -11.172 768 1HD1 ILE 99 3HD1 ILE 99 -20.792 -7.926 -13.157 769 2HD1 ILE 99 1HD1 ILE 99 -20.677 -9.480 -14.017 770 3HD1 ILE 99 2HD1 ILE 99 -22.266 -8.860 -13.508 771 H THR 100 H THR 100 -21.033 -5.262 -10.163 772 HA THR 100 HA THR 100 -21.221 -5.437 -7.227 773 HB THR 100 HB THR 100 -20.076 -3.299 -9.083 774 HG1 THR 100 HG1 THR 100 -18.726 -5.068 -8.247 775 1HG2 THR 100 1HG2 THR 100 -21.509 -2.236 -7.258 776 2HG2 THR 100 2HG2 THR 100 -20.528 -3.113 -6.060 777 3HG2 THR 100 3HG2 THR 100 -19.772 -1.883 -7.103 778 H THR 101 H THR 101 -22.702 -3.808 -6.235 779 HA THR 101 HA THR 101 -24.836 -2.970 -8.047 780 HB THR 101 HB THR 101 -25.349 -5.300 -7.158 781 HG1 THR 101 HG1 THR 101 -27.458 -4.536 -6.891 782 1HG2 THR 101 3HG2 THR 101 -25.551 -3.784 -4.502 783 2HG2 THR 101 1HG2 THR 101 -26.037 -5.473 -4.785 784 3HG2 THR 101 2HG2 THR 101 -24.319 -5.016 -4.868 785 H ILE 102 H ILE 102 -26.373 -1.443 -6.983 786 HA ILE 102 HA ILE 102 -25.793 -0.318 -4.499 787 HB ILE 102 HB ILE 102 -23.759 0.310 -6.075 788 1HG1 ILE 102 1HG1 ILE 102 -24.297 2.718 -4.657 789 2HG1 ILE 102 2HG1 ILE 102 -24.973 1.405 -3.713 790 1HG2 ILE 102 1HG2 ILE 102 -25.109 1.310 -7.842 791 2HG2 ILE 102 2HG2 ILE 102 -25.781 2.484 -6.684 792 3HG2 ILE 102 3HG2 ILE 102 -24.048 2.522 -7.087 793 1HD1 ILE 102 2HD1 ILE 102 -22.275 0.869 -4.874 794 2HD1 ILE 102 3HD1 ILE 102 -22.343 2.128 -3.616 795 3HD1 ILE 102 1HD1 ILE 102 -22.918 0.481 -3.260 796 H ASP 103 H ASP 103 -27.536 0.915 -3.877 797 HA ASP 103 HA ASP 103 -29.444 1.424 -6.015 798 1HB ASP 103 1HB ASP 103 -30.134 -0.098 -4.120 799 2HB ASP 103 2HB ASP 103 -29.890 1.225 -2.999 800 H SER 104 H SER 104 -28.108 2.701 -2.877 801 HA SER 104 HA SER 104 -27.920 4.702 -2.055 802 1HB SER 104 1HB SER 104 -26.291 5.215 -3.675 803 2HB SER 104 2HB SER 104 -27.445 5.208 -4.994 804 HG SER 104 HG SER 104 -26.614 7.369 -4.194 No H/Q in entry = 804 Start of MODEL 18 1 H ALA 1 H ALA 1 32.486 -4.069 -26.398 2 HA ALA 1 HA ALA 1 33.775 -1.928 -26.506 3 1HB ALA 1 2HB ALA 1 33.804 -1.484 -28.814 4 2HB ALA 1 3HB ALA 1 32.067 -1.821 -28.999 5 3HB ALA 1 1HB ALA 1 32.602 -0.325 -28.197 6 H GLU 2 H GLU 2 30.277 -2.131 -27.497 7 HA GLU 2 HA GLU 2 29.318 -1.943 -24.925 8 1HB GLU 2 1HB GLU 2 30.403 0.499 -25.611 9 2HB GLU 2 2HB GLU 2 28.739 0.721 -26.118 10 1HG GLU 2 1HG GLU 2 28.006 0.869 -23.971 11 2HG GLU 2 2HG GLU 2 28.840 -0.602 -23.509 12 H GLU 3 H GLU 3 27.095 -2.370 -24.943 13 HA GLU 3 HA GLU 3 25.432 -1.579 -27.023 14 1HB GLU 3 1HB GLU 3 24.996 -3.760 -28.113 15 2HB GLU 3 2HB GLU 3 26.652 -3.246 -28.363 16 1HG GLU 3 1HG GLU 3 27.303 -4.684 -26.343 17 2HG GLU 3 2HG GLU 3 25.666 -5.310 -26.341 18 H SER 4 H SER 4 23.293 -1.756 -26.336 19 HA SER 4 HA SER 4 22.233 -3.759 -24.865 20 1HB SER 4 1HB SER 4 24.015 -2.290 -23.218 21 2HB SER 4 2HB SER 4 22.415 -1.750 -22.749 22 HG SER 4 HG SER 4 21.803 -3.981 -22.415 23 H SER 5 H SER 5 20.239 -2.689 -23.378 24 HA SER 5 HA SER 5 18.382 -1.570 -23.434 25 1HB SER 5 1HB SER 5 20.357 0.464 -24.316 26 2HB SER 5 2HB SER 5 18.707 0.831 -24.778 27 HG SER 5 HG SER 5 19.301 1.673 -22.650 28 H LYS 6 H LYS 6 16.612 -2.044 -24.695 29 HA LYS 6 HA LYS 6 16.286 -1.267 -27.319 30 1HB LYS 6 1HB LYS 6 18.106 -3.411 -27.179 31 2HB LYS 6 2HB LYS 6 16.594 -4.122 -27.707 32 1HG LYS 6 1HG LYS 6 16.411 -2.308 -29.468 33 2HG LYS 6 2HG LYS 6 17.987 -1.718 -28.978 34 1HD LYS 6 1HD LYS 6 18.827 -4.156 -29.409 35 2HD LYS 6 2HD LYS 6 17.306 -4.399 -30.246 36 1HE LYS 6 1HE LYS 6 17.993 -3.210 -32.067 37 2HE LYS 6 2HE LYS 6 18.597 -1.891 -31.081 38 1HZ LYS 6 2HZ LYS 6 20.256 -4.096 -30.734 39 2HZ LYS 6 3HZ LYS 6 20.060 -3.864 -32.338 40 3HZ LYS 6 1HZ LYS 6 20.621 -2.649 -31.402 41 H ALA 7 H ALA 7 14.373 -0.744 -25.983 42 HA ALA 7 HA ALA 7 12.261 -1.078 -25.414 43 1HB ALA 7 2HB ALA 7 11.438 -3.517 -26.446 44 2HB ALA 7 3HB ALA 7 11.399 -1.961 -27.310 45 3HB ALA 7 1HB ALA 7 12.779 -3.064 -27.525 46 H VAL 8 H VAL 8 11.931 -1.381 -23.271 47 HA VAL 8 HA VAL 8 13.222 -2.992 -21.591 48 HB VAL 8 HB VAL 8 11.838 -1.677 -20.431 49 1HG1 VAL 8 1HG1 VAL 8 10.140 -1.860 -22.861 50 2HG1 VAL 8 2HG1 VAL 8 9.297 -1.475 -21.339 51 3HG1 VAL 8 3HG1 VAL 8 10.633 -0.441 -21.904 52 1HG2 VAL 8 2HG2 VAL 8 10.110 -4.137 -20.818 53 2HG2 VAL 8 3HG2 VAL 8 11.235 -3.780 -19.486 54 3HG2 VAL 8 1HG2 VAL 8 9.728 -2.847 -19.652 55 H LYS 9 H LYS 9 10.071 -3.941 -23.145 56 HA LYS 9 HA LYS 9 9.364 -5.915 -23.867 57 1HB LYS 9 1HB LYS 9 12.199 -6.221 -24.001 58 2HB LYS 9 2HB LYS 9 11.539 -7.710 -23.358 59 1HG LYS 9 1HG LYS 9 9.875 -7.755 -25.257 60 2HG LYS 9 2HG LYS 9 10.620 -6.313 -25.915 61 1HD LYS 9 1HD LYS 9 12.621 -8.390 -25.321 62 2HD LYS 9 2HD LYS 9 11.388 -8.978 -26.423 63 1HE LYS 9 1HE LYS 9 12.122 -7.654 -28.138 64 2HE LYS 9 2HE LYS 9 12.277 -6.247 -27.107 65 1HZ LYS 9 1HZ LYS 9 14.298 -7.544 -26.206 66 2HZ LYS 9 2HZ LYS 9 14.227 -8.336 -27.633 67 3HZ LYS 9 3HZ LYS 9 14.429 -6.715 -27.608 68 H TYR 10 H TYR 10 11.594 -6.534 -21.059 69 HA TYR 10 HA TYR 10 9.239 -7.439 -19.570 70 1HB TYR 10 1HB TYR 10 11.560 -9.007 -18.873 71 2HB TYR 10 2HB TYR 10 10.110 -9.590 -19.668 72 HD1 TYR 10 HD1 TYR 10 13.465 -8.104 -20.310 73 HD2 TYR 10 HD2 TYR 10 10.142 -10.243 -21.949 74 HE1 TYR 10 HE1 TYR 10 14.803 -8.582 -22.420 75 HE2 TYR 10 HE2 TYR 10 11.491 -10.713 -24.052 76 HH TYR 10 HH TYR 10 14.392 -9.090 -24.733 77 H TYR 11 H TYR 11 9.131 -6.456 -17.614 78 HA TYR 11 HA TYR 11 11.670 -5.620 -16.398 79 1HB TYR 11 1HB TYR 11 9.248 -4.123 -17.323 80 2HB TYR 11 2HB TYR 11 9.654 -3.772 -15.654 81 HD1 TYR 11 HD1 TYR 11 9.705 -1.801 -17.977 82 HD2 TYR 11 HD2 TYR 11 12.757 -4.255 -16.256 83 HE1 TYR 11 HE1 TYR 11 11.479 -0.153 -18.753 84 HE2 TYR 11 HE2 TYR 11 14.521 -2.600 -17.037 85 HH TYR 11 HH TYR 11 14.525 -0.089 -17.555 86 H THR 12 H THR 12 11.239 -4.943 -13.995 87 HA THR 12 HA THR 12 9.441 -6.981 -12.869 88 HB THR 12 HB THR 12 11.020 -7.068 -11.021 89 HG1 THR 12 HG1 THR 12 12.606 -5.370 -10.878 90 1HG2 THR 12 1HG2 THR 12 12.653 -6.625 -13.575 91 2HG2 THR 12 2HG2 THR 12 13.213 -7.469 -12.110 92 3HG2 THR 12 3HG2 THR 12 11.914 -8.175 -13.101 93 H LEU 13 H LEU 13 8.127 -6.481 -11.049 94 HA LEU 13 HA LEU 13 6.683 -4.199 -11.252 95 1HB LEU 13 1HB LEU 13 7.077 -6.302 -9.245 96 2HB LEU 13 2HB LEU 13 6.494 -4.790 -8.580 97 HG LEU 13 HG LEU 13 5.175 -6.600 -10.592 98 1HD1 LEU 13 2HD1 LEU 13 4.659 -5.676 -7.815 99 2HD1 LEU 13 3HD1 LEU 13 3.244 -5.892 -8.874 100 3HD1 LEU 13 1HD1 LEU 13 4.354 -7.253 -8.584 101 1HD2 LEU 13 2HD2 LEU 13 4.851 -3.647 -10.316 102 2HD2 LEU 13 3HD2 LEU 13 4.710 -4.691 -11.750 103 3HD2 LEU 13 1HD2 LEU 13 3.392 -4.636 -10.556 104 H GLU 14 H GLU 14 9.749 -4.727 -9.480 105 HA GLU 14 HA GLU 14 9.675 -2.350 -8.054 106 1HB GLU 14 1HB GLU 14 11.490 -4.536 -8.468 107 2HB GLU 14 2HB GLU 14 12.396 -3.058 -8.721 108 1HG GLU 14 1HG GLU 14 10.984 -2.361 -6.475 109 2HG GLU 14 2HG GLU 14 11.104 -4.092 -6.227 110 H GLU 15 H GLU 15 11.274 -3.196 -11.206 111 HA GLU 15 HA GLU 15 12.400 -0.765 -11.686 112 1HB GLU 15 1HB GLU 15 12.722 -2.898 -13.004 113 2HB GLU 15 2HB GLU 15 11.169 -2.621 -13.770 114 1HG GLU 15 1HG GLU 15 12.474 -1.555 -15.344 115 2HG GLU 15 2HG GLU 15 12.277 -0.196 -14.255 116 H ILE 16 H ILE 16 9.029 -1.879 -12.229 117 HA ILE 16 HA ILE 16 8.284 0.487 -13.634 118 HB ILE 16 HB ILE 16 6.478 -1.523 -12.300 119 1HG1 ILE 16 1HG1 ILE 16 7.085 -1.928 -15.150 120 2HG1 ILE 16 2HG1 ILE 16 8.455 -2.207 -14.093 121 1HG2 ILE 16 2HG2 ILE 16 6.047 0.807 -13.916 122 2HG2 ILE 16 3HG2 ILE 16 5.505 -0.638 -14.802 123 3HG2 ILE 16 1HG2 ILE 16 4.858 -0.295 -13.180 124 1HD1 ILE 16 3HD1 ILE 16 6.039 -3.362 -12.927 125 2HD1 ILE 16 1HD1 ILE 16 6.297 -3.971 -14.579 126 3HD1 ILE 16 2HD1 ILE 16 7.572 -4.158 -13.352 127 H GLN 17 H GLN 17 8.305 -0.648 -10.248 128 HA GLN 17 HA GLN 17 6.615 1.319 -9.261 129 1HB GLN 17 1HB GLN 17 7.811 -0.891 -8.218 130 2HB GLN 17 2HB GLN 17 8.851 0.338 -7.527 131 1HG GLN 17 1HG GLN 17 6.108 1.227 -7.269 132 2HG GLN 17 2HG GLN 17 6.205 -0.424 -6.690 133 1HE2 GLN 17 1HE2 GLN 17 5.609 1.573 -4.973 134 2HE2 GLN 17 2HE2 GLN 17 6.902 1.866 -3.859 135 H LYS 18 H LYS 18 10.126 1.246 -9.960 136 HA LYS 18 HA LYS 18 10.707 3.668 -8.621 137 1HB LYS 18 1HB LYS 18 12.230 2.283 -10.848 138 2HB LYS 18 2HB LYS 18 12.856 3.515 -9.770 139 1HG LYS 18 1HG LYS 18 11.664 0.934 -8.684 140 2HG LYS 18 2HG LYS 18 13.340 1.014 -9.190 141 1HD LYS 18 1HD LYS 18 12.108 2.933 -7.161 142 2HD LYS 18 2HD LYS 18 12.938 1.458 -6.709 143 1HE LYS 18 1HE LYS 18 14.977 2.302 -7.997 144 2HE LYS 18 2HE LYS 18 14.137 3.825 -8.222 145 1HZ LYS 18 2HZ LYS 18 13.961 3.978 -5.808 146 2HZ LYS 18 3HZ LYS 18 14.825 2.603 -5.639 147 3HZ LYS 18 1HZ LYS 18 15.517 3.926 -6.301 148 H HIS 19 H HIS 19 9.475 2.792 -11.840 149 HA HIS 19 HA HIS 19 9.857 5.490 -12.789 150 1HB HIS 19 1HB HIS 19 8.868 2.915 -13.992 151 2HB HIS 19 2HB HIS 19 8.550 4.440 -14.796 152 HD1 HIS 19 HD1 HIS 19 10.198 4.736 -16.639 153 HD2 HIS 19 HD2 HIS 19 11.953 3.039 -13.227 154 HE1 HIS 19 HE1 HIS 19 12.675 4.445 -17.178 155 HE2 HIS 19 HE2 HIS 19 13.710 3.450 -15.027 156 H ASN 20 H ASN 20 8.552 6.576 -11.145 157 HA ASN 20 HA ASN 20 5.714 6.236 -11.724 158 1HB ASN 20 1HB ASN 20 5.998 5.450 -9.461 159 2HB ASN 20 2HB ASN 20 7.139 6.721 -9.072 160 1HD2 ASN 20 1HD2 ASN 20 3.903 6.587 -10.565 161 2HD2 ASN 20 2HD2 ASN 20 3.140 7.755 -9.537 162 H ASN 21 H ASN 21 8.004 8.038 -12.761 163 HA ASN 21 HA ASN 21 7.035 10.595 -11.785 164 1HB ASN 21 1HB ASN 21 9.506 9.863 -13.443 165 2HB ASN 21 2HB ASN 21 9.088 11.503 -12.989 166 1HD2 ASN 21 1HD2 ASN 21 8.587 11.774 -10.585 167 2HD2 ASN 21 2HD2 ASN 21 9.696 11.050 -9.468 168 H SER 22 H SER 22 6.677 12.327 -13.513 169 HA SER 22 HA SER 22 5.179 11.216 -15.637 170 1HB SER 22 1HB SER 22 4.386 13.246 -14.585 171 2HB SER 22 2HB SER 22 5.912 14.065 -14.855 172 HG SER 22 HG SER 22 4.760 14.824 -16.544 173 H LYS 23 H LYS 23 8.316 11.004 -15.378 174 HA LYS 23 HA LYS 23 8.892 12.017 -18.076 175 1HB LYS 23 1HB LYS 23 11.157 12.340 -17.433 176 2HB LYS 23 2HB LYS 23 10.164 13.087 -16.198 177 1HG LYS 23 1HG LYS 23 10.389 10.992 -14.801 178 2HG LYS 23 2HG LYS 23 11.458 10.324 -16.020 179 1HD LYS 23 1HD LYS 23 12.514 12.898 -15.482 180 2HD LYS 23 2HD LYS 23 12.043 12.280 -13.912 181 1HE LYS 23 1HE LYS 23 13.288 10.092 -15.255 182 2HE LYS 23 2HE LYS 23 14.294 11.487 -15.594 183 1HZ LYS 23 1HZ LYS 23 13.613 11.652 -12.943 184 2HZ LYS 23 2HZ LYS 23 14.009 10.088 -13.189 185 3HZ LYS 23 3HZ LYS 23 15.073 11.269 -13.563 186 H SER 24 H SER 24 8.398 9.265 -16.054 187 HA SER 24 HA SER 24 9.124 7.596 -18.268 188 1HB SER 24 1HB SER 24 11.022 7.942 -16.279 189 2HB SER 24 2HB SER 24 10.174 6.516 -15.710 190 HG SER 24 HG SER 24 11.335 6.857 -18.345 191 H THR 25 H THR 25 6.759 8.578 -16.519 192 HA THR 25 HA THR 25 5.731 6.827 -14.786 193 HB THR 25 HB THR 25 3.778 7.537 -16.885 194 HG1 THR 25 HG1 THR 25 4.383 9.821 -16.763 195 1HG2 THR 25 1HG2 THR 25 4.149 7.784 -13.984 196 2HG2 THR 25 2HG2 THR 25 3.641 9.336 -14.692 197 3HG2 THR 25 3HG2 THR 25 2.643 7.880 -14.929 198 H TRP 26 H TRP 26 5.890 4.670 -14.703 199 HA TRP 26 HA TRP 26 5.136 3.227 -17.154 200 1HB TRP 26 1HB TRP 26 7.259 2.591 -15.108 201 2HB TRP 26 2HB TRP 26 6.618 1.391 -16.214 202 HD1 TRP 26 HD1 TRP 26 6.612 4.248 -18.377 203 HE1 TRP 26 HE1 TRP 26 8.793 4.576 -19.826 204 HE3 TRP 26 HE3 TRP 26 9.546 1.146 -15.616 205 HZ2 TRP 26 HZ2 TRP 26 11.440 3.525 -19.659 206 HZ3 TRP 26 HZ3 TRP 26 11.918 0.852 -16.327 207 HH2 TRP 26 HH2 TRP 26 12.873 1.982 -18.272 208 H LEU 27 H LEU 27 3.798 1.341 -16.819 209 HA LEU 27 HA LEU 27 2.981 0.682 -14.153 210 1HB LEU 27 1HB LEU 27 0.874 1.507 -14.093 211 2HB LEU 27 2HB LEU 27 1.691 2.803 -14.943 212 HG LEU 27 HG LEU 27 -0.240 2.573 -16.172 213 1HD1 LEU 27 1HD1 LEU 27 2.060 1.980 -17.441 214 2HD1 LEU 27 2HD1 LEU 27 1.119 0.518 -17.823 215 3HD1 LEU 27 3HD1 LEU 27 0.486 2.122 -18.262 216 1HD2 LEU 27 3HD2 LEU 27 -0.522 0.151 -14.901 217 2HD2 LEU 27 1HD2 LEU 27 -1.629 0.824 -16.120 218 3HD2 LEU 27 2HD2 LEU 27 -0.359 -0.324 -16.608 219 H ILE 28 H ILE 28 1.155 -1.077 -14.323 220 HA ILE 28 HA ILE 28 1.804 -2.704 -16.681 221 HB ILE 28 HB ILE 28 0.799 -4.052 -14.268 222 1HG1 ILE 28 1HG1 ILE 28 2.411 -2.133 -13.513 223 2HG1 ILE 28 2HG1 ILE 28 2.573 -3.744 -12.845 224 1HG2 ILE 28 2HG2 ILE 28 2.778 -4.526 -16.461 225 2HG2 ILE 28 3HG2 ILE 28 2.939 -5.437 -14.939 226 3HG2 ILE 28 1HG2 ILE 28 1.435 -5.543 -15.887 227 1HD1 ILE 28 2HD1 ILE 28 4.095 -3.201 -15.369 228 2HD1 ILE 28 3HD1 ILE 28 4.665 -2.386 -13.894 229 3HD1 ILE 28 1HD1 ILE 28 4.562 -4.161 -13.946 230 H LEU 29 H LEU 29 0.135 -3.540 -17.901 231 HA LEU 29 HA LEU 29 -2.566 -3.147 -16.854 232 1HB LEU 29 1HB LEU 29 -1.478 -1.384 -18.620 233 2HB LEU 29 2HB LEU 29 -2.202 -2.543 -19.717 234 HG LEU 29 HG LEU 29 -3.490 -0.640 -17.825 235 1HD1 LEU 29 1HD1 LEU 29 -3.308 -0.385 -20.349 236 2HD1 LEU 29 2HD1 LEU 29 -4.504 -1.699 -20.465 237 3HD1 LEU 29 3HD1 LEU 29 -4.925 -0.182 -19.635 238 1HD2 LEU 29 3HD2 LEU 29 -4.518 -3.421 -18.343 239 2HD2 LEU 29 1HD2 LEU 29 -4.431 -2.513 -16.815 240 3HD2 LEU 29 2HD2 LEU 29 -5.632 -2.065 -18.051 241 H HIS 30 H HIS 30 -3.582 -5.073 -16.863 242 HA HIS 30 HA HIS 30 -4.313 -7.026 -17.570 243 1HB HIS 30 1HB HIS 30 -4.335 -5.918 -19.847 244 2HB HIS 30 2HB HIS 30 -2.768 -6.645 -20.146 245 HD1 HIS 30 HD1 HIS 30 -2.805 -8.923 -21.191 246 HD2 HIS 30 HD2 HIS 30 -6.411 -8.008 -19.254 247 HE1 HIS 30 HE1 HIS 30 -4.394 -10.856 -21.688 248 HE2 HIS 30 HE2 HIS 30 -6.574 -10.265 -20.427 249 H TYR 31 H TYR 31 -0.856 -6.417 -18.460 250 HA TYR 31 HA TYR 31 0.229 -8.096 -16.602 251 1HB TYR 31 1HB TYR 31 -1.162 -9.485 -18.709 252 2HB TYR 31 2HB TYR 31 0.538 -9.648 -19.102 253 HD1 TYR 31 HD1 TYR 31 -1.495 -11.840 -18.269 254 HD2 TYR 31 HD2 TYR 31 1.445 -9.619 -16.095 255 HE1 TYR 31 HE1 TYR 31 -1.287 -13.742 -16.595 256 HE2 TYR 31 HE2 TYR 31 1.644 -11.528 -14.426 257 HH TYR 31 HH TYR 31 0.851 -13.436 -13.777 258 H LYS 32 H LYS 32 0.254 -6.168 -19.416 259 HA LYS 32 HA LYS 32 3.142 -6.515 -19.750 260 1HB LYS 32 1HB LYS 32 1.535 -4.803 -21.591 261 2HB LYS 32 2HB LYS 32 2.919 -5.826 -21.924 262 1HG LYS 32 1HG LYS 32 0.098 -6.818 -21.293 263 2HG LYS 32 2HG LYS 32 0.821 -6.769 -22.889 264 1HD LYS 32 1HD LYS 32 2.531 -8.397 -22.241 265 2HD LYS 32 2HD LYS 32 2.037 -8.327 -20.561 266 1HE LYS 32 1HE LYS 32 -0.270 -9.168 -21.303 267 2HE LYS 32 2HE LYS 32 0.407 -9.423 -22.899 268 1HZ LYS 32 1HZ LYS 32 2.131 -10.560 -21.057 269 2HZ LYS 32 2HZ LYS 32 0.625 -11.059 -20.671 270 3HZ LYS 32 3HZ LYS 32 1.211 -11.319 -22.172 271 H VAL 33 H VAL 33 4.307 -4.327 -20.263 272 HA VAL 33 HA VAL 33 3.383 -2.414 -18.234 273 HB VAL 33 HB VAL 33 6.183 -2.927 -19.255 274 1HG1 VAL 33 3HG1 VAL 33 5.231 -0.650 -18.085 275 2HG1 VAL 33 1HG1 VAL 33 5.757 -1.578 -16.660 276 3HG1 VAL 33 2HG1 VAL 33 6.913 -1.222 -17.965 277 1HG2 VAL 33 1HG2 VAL 33 4.640 -4.495 -17.478 278 2HG2 VAL 33 2HG2 VAL 33 6.384 -4.615 -17.813 279 3HG2 VAL 33 3HG2 VAL 33 5.801 -3.592 -16.477 280 H TYR 34 H TYR 34 2.865 -0.374 -18.880 281 HA TYR 34 HA TYR 34 3.564 0.314 -21.657 282 1HB TYR 34 1HB TYR 34 1.240 1.239 -19.860 283 2HB TYR 34 2HB TYR 34 1.393 1.564 -21.574 284 HD1 TYR 34 HD1 TYR 34 0.152 0.256 -23.036 285 HD2 TYR 34 HD2 TYR 34 1.279 -1.386 -19.249 286 HE1 TYR 34 HE1 TYR 34 -1.177 -1.851 -23.546 287 HE2 TYR 34 HE2 TYR 34 -0.054 -3.487 -19.772 288 HH TYR 34 HH TYR 34 -0.831 -4.680 -21.739 289 H ASP 35 H ASP 35 4.043 2.563 -22.109 290 HA ASP 35 HA ASP 35 5.365 3.765 -19.869 291 1HB ASP 35 1HB ASP 35 5.840 3.637 -22.626 292 2HB ASP 35 2HB ASP 35 5.277 5.282 -22.411 293 H LEU 36 H LEU 36 3.594 4.595 -18.574 294 HA LEU 36 HA LEU 36 1.406 5.958 -19.636 295 1HB LEU 36 1HB LEU 36 2.685 5.857 -16.917 296 2HB LEU 36 2HB LEU 36 1.285 6.862 -17.235 297 HG LEU 36 HG LEU 36 1.509 3.879 -17.133 298 1HD1 LEU 36 2HD1 LEU 36 0.270 5.957 -15.607 299 2HD1 LEU 36 3HD1 LEU 36 -0.995 4.879 -16.246 300 3HD1 LEU 36 1HD1 LEU 36 0.340 4.207 -15.280 301 1HD2 LEU 36 1HD2 LEU 36 -0.342 5.417 -18.932 302 2HD2 LEU 36 2HD2 LEU 36 0.568 3.920 -19.248 303 3HD2 LEU 36 3HD2 LEU 36 -0.863 3.885 -18.191 304 H THR 37 H THR 37 4.737 6.928 -18.968 305 HA THR 37 HA THR 37 4.451 9.655 -18.692 306 HB THR 37 HB THR 37 6.515 7.684 -19.264 307 HG1 THR 37 HG1 THR 37 6.441 10.509 -18.458 308 1HG2 THR 37 2HG2 THR 37 6.662 10.355 -20.755 309 2HG2 THR 37 3HG2 THR 37 8.085 9.355 -20.376 310 3HG2 THR 37 1HG2 THR 37 6.824 8.732 -21.466 311 H LYS 38 H LYS 38 3.704 7.659 -21.445 312 HA LYS 38 HA LYS 38 3.754 10.004 -23.187 313 1HB LYS 38 1HB LYS 38 4.500 7.351 -23.590 314 2HB LYS 38 2HB LYS 38 2.950 7.469 -24.396 315 1HG LYS 38 1HG LYS 38 4.001 9.780 -25.305 316 2HG LYS 38 2HG LYS 38 5.510 8.951 -24.977 317 1HD LYS 38 1HD LYS 38 4.812 7.046 -26.405 318 2HD LYS 38 2HD LYS 38 3.252 7.796 -26.682 319 1HE LYS 38 1HE LYS 38 4.082 9.209 -28.275 320 2HE LYS 38 2HE LYS 38 5.485 9.622 -27.310 321 1HZ LYS 38 1HZ LYS 38 6.412 7.450 -27.946 322 2HZ LYS 38 2HZ LYS 38 5.151 7.217 -28.958 323 3HZ LYS 38 3HZ LYS 38 6.189 8.449 -29.218 324 H PHE 39 H PHE 39 1.635 7.763 -21.443 325 HA PHE 39 HA PHE 39 -0.703 8.531 -22.888 326 1HB PHE 39 1HB PHE 39 0.191 6.766 -20.659 327 2HB PHE 39 2HB PHE 39 -1.388 7.459 -20.351 328 HD1 PHE 39 HD1 PHE 39 -2.883 7.421 -22.691 329 HD2 PHE 39 HD2 PHE 39 0.111 4.646 -21.535 330 HE1 PHE 39 HE1 PHE 39 -3.937 5.674 -24.154 331 HE2 PHE 39 HE2 PHE 39 -0.942 2.899 -22.997 332 HZ PHE 39 HZ PHE 39 -2.953 3.435 -24.289 333 H LEU 40 H LEU 40 1.251 10.315 -20.910 334 HA LEU 40 HA LEU 40 -0.823 11.463 -19.262 335 1HB LEU 40 1HB LEU 40 2.107 11.505 -19.413 336 2HB LEU 40 2HB LEU 40 1.398 13.058 -19.015 337 HG LEU 40 HG LEU 40 0.060 11.752 -17.214 338 1HD1 LEU 40 3HD1 LEU 40 0.734 9.513 -18.164 339 2HD1 LEU 40 1HD1 LEU 40 2.360 9.813 -17.503 340 3HD1 LEU 40 2HD1 LEU 40 0.959 9.713 -16.409 341 1HD2 LEU 40 2HD2 LEU 40 3.041 12.240 -16.977 342 2HD2 LEU 40 3HD2 LEU 40 1.730 13.401 -16.657 343 3HD2 LEU 40 1HD2 LEU 40 1.935 11.978 -15.608 344 H GLU 41 H GLU 41 -1.036 11.501 -22.262 345 HA GLU 41 HA GLU 41 -0.845 14.380 -22.651 346 1HB GLU 41 1HB GLU 41 -0.133 12.171 -24.307 347 2HB GLU 41 2HB GLU 41 -1.529 12.910 -25.064 348 1HG GLU 41 1HG GLU 41 -0.218 15.184 -24.559 349 2HG GLU 41 2HG GLU 41 1.177 14.126 -24.486 350 H GLU 42 H GLU 42 -2.967 11.662 -23.828 351 HA GLU 42 HA GLU 42 -5.201 13.491 -23.471 352 1HB GLU 42 1HB GLU 42 -4.450 11.866 -25.644 353 2HB GLU 42 2HB GLU 42 -5.794 11.006 -24.919 354 1HG GLU 42 1HG GLU 42 -6.886 13.462 -24.856 355 2HG GLU 42 2HG GLU 42 -5.741 13.763 -26.147 356 H HIS 43 H HIS 43 -6.819 13.038 -21.997 357 HA HIS 43 HA HIS 43 -7.623 10.541 -21.217 358 1HB HIS 43 1HB HIS 43 -5.106 10.867 -20.229 359 2HB HIS 43 2HB HIS 43 -6.052 11.501 -18.898 360 HD1 HIS 43 HD1 HIS 43 -4.638 8.434 -20.007 361 HD2 HIS 43 HD2 HIS 43 -8.310 9.484 -18.274 362 HE1 HIS 43 HE1 HIS 43 -5.600 6.289 -19.014 363 HE2 HIS 43 HE2 HIS 43 -7.830 7.008 -17.917 364 HA PRO 44 HA PRO 44 -10.462 13.495 -19.721 365 1HB PRO 44 1HB PRO 44 -12.542 11.790 -19.243 366 2HB PRO 44 2HB PRO 44 -12.214 12.483 -20.819 367 1HG PRO 44 1HG PRO 44 -11.717 9.729 -19.865 368 2HG PRO 44 2HG PRO 44 -11.800 10.323 -21.512 369 1HD PRO 44 1HD PRO 44 -9.426 9.668 -20.041 370 2HD PRO 44 2HD PRO 44 -9.504 10.372 -21.644 371 H GLY 45 H GLY 45 -8.703 11.385 -18.021 372 1HA GLY 45 2HA GLY 45 -8.959 10.673 -15.772 373 2HA GLY 45 1HA GLY 45 -10.117 11.959 -15.498 374 H GLY 46 H GLY 46 -6.901 12.097 -17.165 375 1HA GLY 46 2HA GLY 46 -6.020 13.982 -15.059 376 2HA GLY 46 1HA GLY 46 -5.709 14.225 -16.767 377 H GLU 47 H GLU 47 -3.405 14.207 -16.471 378 HA GLU 47 HA GLU 47 -2.121 11.953 -17.028 379 1HB GLU 47 1HB GLU 47 -1.231 14.393 -15.466 380 2HB GLU 47 2HB GLU 47 -0.103 13.088 -15.784 381 1HG GLU 47 1HG GLU 47 0.291 14.159 -17.763 382 2HG GLU 47 2HG GLU 47 -1.216 13.433 -18.289 383 H GLU 48 H GLU 48 -2.935 13.152 -13.723 384 HA GLU 48 HA GLU 48 -1.509 11.372 -12.256 385 1HB GLU 48 1HB GLU 48 -3.533 13.277 -11.795 386 2HB GLU 48 2HB GLU 48 -4.194 11.792 -11.142 387 1HG GLU 48 1HG GLU 48 -2.543 11.601 -9.507 388 2HG GLU 48 2HG GLU 48 -1.321 12.386 -10.489 389 H VAL 49 H VAL 49 -4.761 10.950 -13.775 390 HA VAL 49 HA VAL 49 -5.555 8.601 -12.714 391 HB VAL 49 HB VAL 49 -6.583 10.121 -14.515 392 1HG1 VAL 49 1HG1 VAL 49 -4.496 9.291 -16.055 393 2HG1 VAL 49 2HG1 VAL 49 -5.766 8.156 -16.573 394 3HG1 VAL 49 3HG1 VAL 49 -6.035 9.911 -16.700 395 1HG2 VAL 49 1HG2 VAL 49 -7.196 7.595 -13.602 396 2HG2 VAL 49 2HG2 VAL 49 -8.247 8.615 -14.612 397 3HG2 VAL 49 3HG2 VAL 49 -7.213 7.381 -15.369 398 H LEU 50 H LEU 50 -2.747 9.197 -14.755 399 HA LEU 50 HA LEU 50 -2.344 6.297 -14.961 400 1HB LEU 50 1HB LEU 50 -1.027 8.474 -16.584 401 2HB LEU 50 2HB LEU 50 -0.907 6.743 -16.831 402 HG LEU 50 HG LEU 50 -3.678 7.690 -16.894 403 1HD1 LEU 50 2HD1 LEU 50 -1.683 9.278 -18.281 404 2HD1 LEU 50 3HD1 LEU 50 -2.834 8.533 -19.416 405 3HD1 LEU 50 1HD1 LEU 50 -3.431 9.550 -18.084 406 1HD2 LEU 50 2HD2 LEU 50 -2.068 5.622 -17.997 407 2HD2 LEU 50 3HD2 LEU 50 -3.833 5.829 -18.087 408 3HD2 LEU 50 1HD2 LEU 50 -2.790 6.528 -19.349 409 H ARG 51 H ARG 51 -0.894 9.454 -14.029 410 HA ARG 51 HA ARG 51 1.565 8.397 -13.317 411 1HB ARG 51 1HB ARG 51 0.645 10.906 -13.575 412 2HB ARG 51 2HB ARG 51 0.387 10.769 -11.848 413 1HG ARG 51 1HG ARG 51 3.004 9.714 -12.381 414 2HG ARG 51 2HG ARG 51 2.871 11.216 -13.275 415 1HD ARG 51 1HD ARG 51 1.889 11.183 -10.418 416 2HD ARG 51 2HD ARG 51 3.620 11.176 -10.689 417 HE ARG 51 HE ARG 51 1.762 13.380 -11.268 418 1HH1 ARG 51 2HH1 ARG 51 2.669 15.372 -11.925 419 2HH1 ARG 51 1HH1 ARG 51 4.330 15.448 -12.413 420 1HH2 ARG 51 2HH2 ARG 51 4.944 12.018 -11.903 421 2HH2 ARG 51 1HH2 ARG 51 5.632 13.528 -12.402 422 H GLU 52 H GLU 52 -1.442 9.100 -11.416 423 HA GLU 52 HA GLU 52 -0.433 8.446 -8.947 424 1HB GLU 52 1HB GLU 52 -2.941 9.161 -10.064 425 2HB GLU 52 2HB GLU 52 -3.230 7.653 -9.220 426 1HG GLU 52 1HG GLU 52 -1.697 9.937 -7.912 427 2HG GLU 52 2HG GLU 52 -3.447 9.860 -7.857 428 H GLN 53 H GLN 53 -1.178 6.430 -11.694 429 HA GLN 53 HA GLN 53 -1.319 4.085 -9.995 430 1HB GLN 53 1HB GLN 53 -2.019 2.894 -12.048 431 2HB GLN 53 2HB GLN 53 -3.040 4.286 -11.745 432 1HG GLN 53 1HG GLN 53 -1.865 5.613 -13.426 433 2HG GLN 53 2HG GLN 53 -0.627 4.386 -13.610 434 1HE2 GLN 53 1HE2 GLN 53 -3.920 5.305 -14.256 435 2HE2 GLN 53 2HE2 GLN 53 -4.290 4.105 -15.449 436 H ALA 54 H ALA 54 0.764 5.852 -12.235 437 HA ALA 54 HA ALA 54 2.457 3.865 -13.093 438 1HB ALA 54 1HB ALA 54 3.084 6.741 -12.310 439 2HB ALA 54 2HB ALA 54 4.101 5.702 -13.336 440 3HB ALA 54 3HB ALA 54 2.482 6.193 -13.892 441 H GLY 55 H GLY 55 3.978 2.574 -12.148 442 1HA GLY 55 2HA GLY 55 4.687 3.197 -9.342 443 2HA GLY 55 1HA GLY 55 5.814 2.539 -10.512 444 H GLY 56 H GLY 56 3.326 0.951 -11.662 445 1HA GLY 56 2HA GLY 56 2.776 -0.941 -9.543 446 2HA GLY 56 1HA GLY 56 3.868 -1.534 -10.780 447 H ASP 57 H ASP 57 1.592 -2.938 -10.623 448 HA ASP 57 HA ASP 57 0.477 -2.580 -13.142 449 1HB ASP 57 1HB ASP 57 0.265 -4.782 -12.486 450 2HB ASP 57 2HB ASP 57 0.090 -4.369 -10.792 451 H ALA 58 H ALA 58 -1.359 -1.396 -13.779 452 HA ALA 58 HA ALA 58 -2.865 -0.105 -11.615 453 1HB ALA 58 2HB ALA 58 -1.504 1.228 -13.381 454 2HB ALA 58 3HB ALA 58 -2.797 0.765 -14.514 455 3HB ALA 58 1HB ALA 58 -3.184 1.725 -13.067 456 H THR 59 H THR 59 -2.947 -2.437 -14.207 457 HA THR 59 HA THR 59 -5.471 -2.352 -15.177 458 HB THR 59 HB THR 59 -3.343 -4.098 -15.243 459 HG1 THR 59 HG1 THR 59 -5.322 -5.452 -16.269 460 1HG2 THR 59 1HG2 THR 59 -4.319 -5.177 -13.073 461 2HG2 THR 59 2HG2 THR 59 -5.677 -5.697 -14.099 462 3HG2 THR 59 3HG2 THR 59 -4.026 -6.263 -14.452 463 H GLU 60 H GLU 60 -4.479 -3.524 -11.926 464 HA GLU 60 HA GLU 60 -6.824 -4.649 -11.173 465 1HB GLU 60 1HB GLU 60 -4.426 -3.686 -9.901 466 2HB GLU 60 2HB GLU 60 -5.791 -3.165 -8.932 467 1HG GLU 60 1HG GLU 60 -6.273 -5.891 -9.767 468 2HG GLU 60 2HG GLU 60 -4.646 -5.801 -9.124 469 H ASN 61 H ASN 61 -5.906 -1.170 -11.230 470 HA ASN 61 HA ASN 61 -8.442 -0.460 -10.095 471 1HB ASN 61 1HB ASN 61 -5.898 0.733 -10.162 472 2HB ASN 61 2HB ASN 61 -6.811 1.711 -11.294 473 1HD2 ASN 61 1HD2 ASN 61 -5.792 1.780 -8.327 474 2HD2 ASN 61 2HD2 ASN 61 -7.102 2.515 -7.463 475 H PHE 62 H PHE 62 -6.550 -0.059 -13.174 476 HA PHE 62 HA PHE 62 -8.365 1.406 -14.611 477 1HB PHE 62 1HB PHE 62 -6.453 1.073 -15.890 478 2HB PHE 62 2HB PHE 62 -6.043 -0.375 -14.993 479 HD1 PHE 62 HD1 PHE 62 -6.965 0.867 -18.131 480 HD2 PHE 62 HD2 PHE 62 -7.513 -2.495 -15.600 481 HE1 PHE 62 HE1 PHE 62 -7.561 -0.537 -20.124 482 HE2 PHE 62 HE2 PHE 62 -8.111 -3.898 -17.593 483 HZ PHE 62 HZ PHE 62 -8.127 -2.903 -19.832 484 H GLU 63 H GLU 63 -8.667 -1.849 -13.432 485 HA GLU 63 HA GLU 63 -10.469 -2.639 -15.506 486 1HB GLU 63 1HB GLU 63 -9.203 -3.906 -13.114 487 2HB GLU 63 2HB GLU 63 -10.771 -4.545 -13.567 488 1HG GLU 63 1HG GLU 63 -9.266 -4.212 -15.995 489 2HG GLU 63 2HG GLU 63 -8.205 -4.990 -14.836 490 H ASP 64 H ASP 64 -10.568 -1.264 -12.227 491 HA ASP 64 HA ASP 64 -13.262 -1.865 -11.760 492 1HB ASP 64 1HB ASP 64 -11.150 -0.796 -10.303 493 2HB ASP 64 2HB ASP 64 -12.170 0.611 -10.523 494 H VAL 65 H VAL 65 -11.450 0.723 -13.416 495 HA VAL 65 HA VAL 65 -13.725 2.480 -13.561 496 HB VAL 65 HB VAL 65 -11.939 3.818 -13.553 497 1HG1 VAL 65 1HG1 VAL 65 -10.354 1.501 -14.694 498 2HG1 VAL 65 2HG1 VAL 65 -9.655 3.111 -14.399 499 3HG1 VAL 65 3HG1 VAL 65 -10.306 2.161 -13.041 500 1HG2 VAL 65 2HG2 VAL 65 -12.881 4.154 -15.811 501 2HG2 VAL 65 3HG2 VAL 65 -11.134 4.490 -15.760 502 3HG2 VAL 65 1HG2 VAL 65 -11.727 2.965 -16.461 503 H GLY 66 H GLY 66 -13.193 -0.451 -14.887 504 1HA GLY 66 2HA GLY 66 -15.100 -0.583 -16.707 505 2HA GLY 66 1HA GLY 66 -13.575 -1.420 -16.921 506 H HIS 67 H HIS 67 -11.819 -0.342 -18.155 507 HA HIS 67 HA HIS 67 -12.417 2.060 -19.543 508 1HB HIS 67 1HB HIS 67 -10.181 0.043 -19.621 509 2HB HIS 67 2HB HIS 67 -10.284 1.306 -20.833 510 HD1 HIS 67 HD1 HIS 67 -9.614 0.756 -17.165 511 HD2 HIS 67 HD2 HIS 67 -9.692 3.917 -19.921 512 HE1 HIS 67 HE1 HIS 67 -8.527 2.747 -16.000 513 HE2 HIS 67 HE2 HIS 67 -8.553 4.643 -17.761 514 H SER 68 H SER 68 -11.795 1.834 -22.145 515 HA SER 68 HA SER 68 -13.866 0.025 -23.082 516 1HB SER 68 1HB SER 68 -14.297 1.533 -24.825 517 2HB SER 68 2HB SER 68 -13.870 2.608 -23.509 518 HG SER 68 HG SER 68 -12.801 3.019 -25.644 519 H THR 69 H THR 69 -13.471 -1.323 -24.973 520 HA THR 69 HA THR 69 -11.025 -2.590 -25.028 521 HB THR 69 HB THR 69 -13.399 -2.362 -26.911 522 HG1 THR 69 HG1 THR 69 -13.795 -4.273 -25.807 523 1HG2 THR 69 2HG2 THR 69 -11.125 -2.849 -28.167 524 2HG2 THR 69 3HG2 THR 69 -11.168 -4.394 -27.284 525 3HG2 THR 69 1HG2 THR 69 -12.484 -3.973 -28.406 526 H ASP 70 H ASP 70 -11.909 0.497 -26.383 527 HA ASP 70 HA ASP 70 -9.939 0.458 -28.400 528 1HB ASP 70 1HB ASP 70 -11.977 1.935 -28.406 529 2HB ASP 70 2HB ASP 70 -11.331 2.811 -27.033 530 H ALA 71 H ALA 71 -10.294 1.884 -25.078 531 HA ALA 71 HA ALA 71 -7.855 3.216 -24.995 532 1HB ALA 71 2HB ALA 71 -8.205 3.009 -22.489 533 2HB ALA 71 3HB ALA 71 -9.585 3.682 -23.391 534 3HB ALA 71 1HB ALA 71 -9.620 1.988 -22.845 535 H ARG 72 H ARG 72 -8.774 -0.171 -24.140 536 HA ARG 72 HA ARG 72 -6.290 -0.833 -23.109 537 1HB ARG 72 1HB ARG 72 -8.283 -2.694 -24.495 538 2HB ARG 72 2HB ARG 72 -7.058 -3.174 -23.338 539 1HG ARG 72 1HG ARG 72 -8.173 -1.672 -21.618 540 2HG ARG 72 2HG ARG 72 -9.448 -1.356 -22.779 541 1HD ARG 72 1HD ARG 72 -10.095 -3.175 -21.207 542 2HD ARG 72 2HD ARG 72 -10.031 -3.760 -22.858 543 HE ARG 72 HE ARG 72 -7.507 -4.087 -21.387 544 1HH1 ARG 72 2HH1 ARG 72 -6.801 -6.221 -20.972 545 2HH1 ARG 72 1HH1 ARG 72 -7.893 -7.549 -21.180 546 1HH2 ARG 72 2HH2 ARG 72 -10.606 -5.546 -22.198 547 2HH2 ARG 72 1HH2 ARG 72 -10.071 -7.163 -21.882 548 H GLU 73 H GLU 73 -7.744 -1.133 -26.408 549 HA GLU 73 HA GLU 73 -5.601 -2.516 -27.515 550 1HB GLU 73 1HB GLU 73 -8.018 -2.140 -28.413 551 2HB GLU 73 2HB GLU 73 -7.411 -0.628 -29.062 552 1HG GLU 73 1HG GLU 73 -5.531 -2.013 -30.170 553 2HG GLU 73 2HG GLU 73 -6.439 -3.442 -29.719 554 H LEU 74 H LEU 74 -6.304 0.971 -27.062 555 HA LEU 74 HA LEU 74 -4.285 1.938 -28.741 556 1HB LEU 74 1HB LEU 74 -5.178 3.878 -28.198 557 2HB LEU 74 2HB LEU 74 -6.334 2.982 -27.231 558 HG LEU 74 HG LEU 74 -4.388 3.196 -25.400 559 1HD1 LEU 74 3HD1 LEU 74 -3.480 4.901 -27.505 560 2HD1 LEU 74 1HD1 LEU 74 -3.934 5.910 -26.110 561 3HD1 LEU 74 2HD1 LEU 74 -2.749 4.597 -25.910 562 1HD2 LEU 74 3HD2 LEU 74 -6.831 4.619 -26.032 563 2HD2 LEU 74 1HD2 LEU 74 -6.177 4.112 -24.456 564 3HD2 LEU 74 2HD2 LEU 74 -5.679 5.665 -25.169 565 H SER 75 H SER 75 -4.339 0.947 -25.281 566 HA SER 75 HA SER 75 -1.885 1.900 -24.575 567 1HB SER 75 1HB SER 75 -1.983 0.363 -22.731 568 2HB SER 75 2HB SER 75 -3.638 0.814 -23.088 569 HG SER 75 HG SER 75 -3.265 -1.295 -24.617 570 H LYS 76 H LYS 76 -2.753 -0.734 -26.732 571 HA LYS 76 HA LYS 76 -0.416 -2.265 -26.501 572 1HB LYS 76 1HB LYS 76 -1.388 -3.562 -28.060 573 2HB LYS 76 2HB LYS 76 -2.802 -2.582 -27.732 574 1HG LYS 76 1HG LYS 76 -2.187 -1.049 -29.605 575 2HG LYS 76 2HG LYS 76 -0.753 -2.003 -29.924 576 1HD LYS 76 1HD LYS 76 -2.247 -4.017 -30.329 577 2HD LYS 76 2HD LYS 76 -3.641 -2.971 -30.142 578 1HE LYS 76 1HE LYS 76 -3.377 -2.895 -32.461 579 2HE LYS 76 2HE LYS 76 -2.433 -1.494 -31.997 580 1HZ LYS 76 2HZ LYS 76 -0.503 -3.080 -31.920 581 2HZ LYS 76 3HZ LYS 76 -1.448 -4.156 -32.706 582 3HZ LYS 76 1HZ LYS 76 -1.086 -2.724 -33.403 583 H THR 77 H THR 77 -1.027 0.897 -27.789 584 HA THR 77 HA THR 77 1.284 0.778 -29.562 585 HB THR 77 HB THR 77 -1.104 1.948 -29.908 586 HG1 THR 77 HG1 THR 77 0.231 3.521 -31.212 587 1HG2 THR 77 1HG2 THR 77 0.441 3.794 -28.092 588 2HG2 THR 77 2HG2 THR 77 -0.369 4.524 -29.498 589 3HG2 THR 77 3HG2 THR 77 -1.320 3.625 -28.293 590 H PHE 78 H PHE 78 0.513 1.510 -26.271 591 HA PHE 78 HA PHE 78 2.902 3.184 -26.061 592 1HB PHE 78 1HB PHE 78 0.456 2.553 -24.318 593 2HB PHE 78 2HB PHE 78 1.833 3.411 -23.655 594 HD1 PHE 78 HD1 PHE 78 -0.665 3.585 -26.407 595 HD2 PHE 78 HD2 PHE 78 1.973 5.728 -23.867 596 HE1 PHE 78 HE1 PHE 78 -1.608 5.750 -27.256 597 HE2 PHE 78 HE2 PHE 78 1.030 7.894 -24.715 598 HZ PHE 78 HZ PHE 78 -0.750 7.880 -26.400 599 H ILE 79 H ILE 79 1.943 -0.055 -25.838 600 HA ILE 79 HA ILE 79 3.151 -0.882 -23.469 601 HB ILE 79 HB ILE 79 2.257 -2.128 -26.006 602 1HG1 ILE 79 1HG1 ILE 79 1.624 -2.243 -23.095 603 2HG1 ILE 79 2HG1 ILE 79 0.554 -2.127 -24.479 604 1HG2 ILE 79 1HG2 ILE 79 4.485 -3.123 -25.719 605 2HG2 ILE 79 2HG2 ILE 79 4.056 -3.599 -24.059 606 3HG2 ILE 79 3HG2 ILE 79 3.185 -4.306 -25.442 607 1HD1 ILE 79 2HD1 ILE 79 1.086 -4.511 -25.067 608 2HD1 ILE 79 3HD1 ILE 79 2.094 -4.613 -23.605 609 3HD1 ILE 79 1HD1 ILE 79 0.340 -4.349 -23.460 610 H ILE 80 H ILE 80 5.235 -0.949 -22.822 611 HA ILE 80 HA ILE 80 7.256 -0.612 -24.922 612 HB ILE 80 HB ILE 80 8.628 0.039 -22.781 613 1HG1 ILE 80 1HG1 ILE 80 5.846 0.817 -21.877 614 2HG1 ILE 80 2HG1 ILE 80 6.685 -0.597 -21.274 615 1HG2 ILE 80 3HG2 ILE 80 6.814 1.595 -24.541 616 2HG2 ILE 80 1HG2 ILE 80 7.443 2.427 -23.100 617 3HG2 ILE 80 2HG2 ILE 80 8.570 1.726 -24.286 618 1HD1 ILE 80 2HD1 ILE 80 8.448 1.733 -21.205 619 2HD1 ILE 80 3HD1 ILE 80 6.935 2.050 -20.323 620 3HD1 ILE 80 1HD1 ILE 80 7.952 0.658 -19.876 621 H GLY 81 H GLY 81 6.080 -2.623 -22.247 622 1HA GLY 81 2HA GLY 81 8.248 -4.177 -21.643 623 2HA GLY 81 1HA GLY 81 7.661 -4.833 -23.158 624 H GLU 82 H GLU 82 7.646 -6.075 -20.449 625 HA GLU 82 HA GLU 82 4.884 -6.012 -19.690 626 1HB GLU 82 1HB GLU 82 5.917 -8.758 -20.353 627 2HB GLU 82 2HB GLU 82 4.267 -8.171 -20.321 628 1HG GLU 82 1HG GLU 82 4.625 -6.899 -22.404 629 2HG GLU 82 2HG GLU 82 6.327 -7.314 -22.406 630 H LEU 83 H LEU 83 4.509 -7.503 -17.729 631 HA LEU 83 HA LEU 83 6.713 -7.132 -15.950 632 1HB LEU 83 1HB LEU 83 4.348 -6.742 -15.348 633 2HB LEU 83 2HB LEU 83 4.033 -8.458 -15.519 634 HG LEU 83 HG LEU 83 4.659 -8.839 -13.426 635 1HD1 LEU 83 1HD1 LEU 83 7.227 -7.465 -14.221 636 2HD1 LEU 83 2HD1 LEU 83 6.955 -8.101 -12.581 637 3HD1 LEU 83 3HD1 LEU 83 6.913 -9.200 -13.981 638 1HD2 LEU 83 3HD2 LEU 83 4.152 -6.064 -13.538 639 2HD2 LEU 83 1HD2 LEU 83 4.039 -7.150 -12.131 640 3HD2 LEU 83 2HD2 LEU 83 5.558 -6.282 -12.469 641 H HIS 84 H HIS 84 8.370 -8.513 -15.637 642 HA HIS 84 HA HIS 84 8.420 -10.991 -16.959 643 1HB HIS 84 1HB HIS 84 10.243 -9.261 -15.680 644 2HB HIS 84 2HB HIS 84 10.359 -10.782 -14.817 645 HD1 HIS 84 HD1 HIS 84 12.843 -10.753 -15.965 646 HD2 HIS 84 HD2 HIS 84 9.582 -11.420 -18.517 647 HE1 HIS 84 HE1 HIS 84 13.805 -11.757 -18.104 648 HE2 HIS 84 HE2 HIS 84 11.748 -12.194 -19.614 649 HA PRO 85 HA PRO 85 7.140 -13.762 -13.864 650 1HB PRO 85 1HB PRO 85 9.139 -15.576 -13.437 651 2HB PRO 85 2HB PRO 85 8.081 -15.627 -14.832 652 1HG PRO 85 1HG PRO 85 10.901 -14.753 -14.675 653 2HG PRO 85 2HG PRO 85 9.971 -15.210 -16.087 654 1HD PRO 85 1HD PRO 85 10.655 -12.546 -15.273 655 2HD PRO 85 2HD PRO 85 9.629 -13.000 -16.620 656 H ASP 86 H ASP 86 8.985 -11.397 -13.015 657 HA ASP 86 HA ASP 86 9.876 -12.343 -10.498 658 1HB ASP 86 1HB ASP 86 11.195 -10.550 -11.068 659 2HB ASP 86 2HB ASP 86 9.951 -9.830 -12.071 660 H ASP 87 H ASP 87 6.973 -10.884 -11.898 661 HA ASP 87 HA ASP 87 5.579 -11.263 -9.471 662 1HB ASP 87 1HB ASP 87 6.459 -8.531 -10.310 663 2HB ASP 87 2HB ASP 87 4.769 -8.661 -9.866 664 H ARG 88 H ARG 88 4.806 -12.658 -11.463 665 HA ARG 88 HA ARG 88 3.320 -11.165 -13.394 666 1HB ARG 88 1HB ARG 88 3.639 -14.175 -12.941 667 2HB ARG 88 2HB ARG 88 2.769 -13.478 -14.294 668 1HG ARG 88 1HG ARG 88 5.623 -12.612 -13.754 669 2HG ARG 88 2HG ARG 88 5.326 -14.141 -14.558 670 1HD ARG 88 1HD ARG 88 4.290 -11.419 -15.494 671 2HD ARG 88 2HD ARG 88 5.633 -12.293 -16.203 672 HE ARG 88 HE ARG 88 3.285 -13.974 -16.141 673 1HH1 ARG 88 2HH1 ARG 88 2.153 -14.398 -18.080 674 2HH1 ARG 88 1HH1 ARG 88 2.381 -13.373 -19.458 675 1HH2 ARG 88 2HH2 ARG 88 4.692 -11.247 -17.864 676 2HH2 ARG 88 1HH2 ARG 88 3.834 -11.568 -19.334 677 H SER 89 H SER 89 2.397 -14.119 -11.481 678 HA SER 89 HA SER 89 -0.302 -13.475 -11.549 679 1HB SER 89 1HB SER 89 1.307 -15.648 -10.713 680 2HB SER 89 2HB SER 89 0.424 -15.172 -9.277 681 HG SER 89 HG SER 89 -0.880 -15.561 -11.826 682 H LYS 90 H LYS 90 2.217 -11.990 -9.867 683 HA LYS 90 HA LYS 90 0.857 -11.540 -7.390 684 1HB LYS 90 1HB LYS 90 3.475 -10.898 -8.600 685 2HB LYS 90 2HB LYS 90 2.857 -9.670 -7.512 686 1HG LYS 90 1HG LYS 90 2.421 -12.342 -6.394 687 2HG LYS 90 2HG LYS 90 4.112 -12.114 -6.798 688 1HD LYS 90 1HD LYS 90 3.760 -9.749 -5.602 689 2HD LYS 90 2HD LYS 90 2.402 -10.558 -4.847 690 1HE LYS 90 1HE LYS 90 3.810 -11.563 -3.382 691 2HE LYS 90 2HE LYS 90 4.614 -12.380 -4.709 692 1HZ LYS 90 2HZ LYS 90 5.984 -10.414 -4.991 693 2HZ LYS 90 3HZ LYS 90 5.251 -9.683 -3.728 694 3HZ LYS 90 1HZ LYS 90 6.144 -11.028 -3.486 695 H ILE 91 H ILE 91 0.836 -10.177 -10.611 696 HA ILE 91 HA ILE 91 -0.799 -7.972 -9.569 697 HB ILE 91 HB ILE 91 0.198 -6.436 -10.906 698 1HG1 ILE 91 1HG1 ILE 91 1.249 -8.618 -12.731 699 2HG1 ILE 91 2HG1 ILE 91 -0.216 -7.695 -13.008 700 1HG2 ILE 91 1HG2 ILE 91 1.836 -7.284 -9.263 701 2HG2 ILE 91 2HG2 ILE 91 2.483 -8.386 -10.503 702 3HG2 ILE 91 3HG2 ILE 91 2.604 -6.624 -10.726 703 1HD1 ILE 91 3HD1 ILE 91 1.964 -5.865 -12.425 704 2HD1 ILE 91 1HD1 ILE 91 2.442 -6.977 -13.729 705 3HD1 ILE 91 2HD1 ILE 91 0.973 -5.987 -13.898 706 H THR 92 H THR 92 -0.226 -10.528 -11.969 707 HA THR 92 HA THR 92 -1.920 -10.111 -13.957 708 HB THR 92 HB THR 92 -0.600 -12.257 -13.068 709 HG1 THR 92 HG1 THR 92 -2.130 -13.424 -14.606 710 1HG2 THR 92 2HG2 THR 92 -3.519 -12.814 -12.323 711 2HG2 THR 92 3HG2 THR 92 -2.247 -14.051 -12.460 712 3HG2 THR 92 1HG2 THR 92 -2.144 -12.805 -11.193 713 H LYS 93 H LYS 93 -3.035 -11.162 -10.674 714 HA LYS 93 HA LYS 93 -5.535 -9.793 -11.238 715 1HB LYS 93 1HB LYS 93 -5.226 -12.705 -11.186 716 2HB LYS 93 2HB LYS 93 -6.401 -12.136 -10.020 717 1HG LYS 93 1HG LYS 93 -7.566 -10.839 -11.803 718 2HG LYS 93 2HG LYS 93 -6.373 -11.361 -12.977 719 1HD LYS 93 1HD LYS 93 -7.962 -12.993 -13.378 720 2HD LYS 93 2HD LYS 93 -7.096 -13.803 -12.089 721 1HE LYS 93 1HE LYS 93 -8.828 -13.564 -10.592 722 2HE LYS 93 2HE LYS 93 -9.206 -11.939 -11.130 723 1HZ LYS 93 3HZ LYS 93 -9.842 -14.323 -12.719 724 2HZ LYS 93 1HZ LYS 93 -10.888 -13.652 -11.659 725 3HZ LYS 93 2HZ LYS 93 -10.382 -12.800 -12.957 726 HA PRO 94 HA PRO 94 -5.233 -8.820 -7.044 727 1HB PRO 94 1HB PRO 94 -7.828 -8.682 -6.192 728 2HB PRO 94 2HB PRO 94 -7.053 -7.411 -7.117 729 1HG PRO 94 1HG PRO 94 -9.041 -9.408 -8.012 730 2HG PRO 94 2HG PRO 94 -8.582 -7.898 -8.774 731 1HD PRO 94 1HD PRO 94 -7.782 -10.535 -9.569 732 2HD PRO 94 2HD PRO 94 -7.232 -9.021 -10.259 733 H SER 95 H SER 95 -8.034 -10.949 -6.806 734 HA SER 95 HA SER 95 -8.252 -12.897 -5.829 735 1HB SER 95 1HB SER 95 -5.622 -13.085 -6.493 736 2HB SER 95 2HB SER 95 -5.463 -13.099 -4.747 737 HG SER 95 HG SER 95 -7.514 -14.769 -5.616 738 H GLU 96 H GLU 96 -9.487 -12.736 -3.996 739 HA GLU 96 HA GLU 96 -8.286 -12.323 -1.509 740 1HB GLU 96 1HB GLU 96 -8.784 -9.913 -2.812 741 2HB GLU 96 2HB GLU 96 -10.220 -10.107 -1.826 742 1HG GLU 96 1HG GLU 96 -9.071 -9.549 0.047 743 2HG GLU 96 2HG GLU 96 -7.916 -10.838 -0.231 744 H SER 97 H SER 97 -11.491 -11.313 -2.909 745 HA SER 97 HA SER 97 -13.455 -12.291 -2.804 746 1HB SER 97 1HB SER 97 -11.902 -14.511 -2.433 747 2HB SER 97 2HB SER 97 -12.735 -14.476 -0.892 748 HG SER 97 HG SER 97 -14.023 -15.685 -2.294 749 H ILE 98 H ILE 98 -15.257 -11.963 -1.381 750 HA ILE 98 HA ILE 98 -14.977 -11.907 1.415 751 HB ILE 98 HB ILE 98 -13.728 -9.779 0.442 752 1HG1 ILE 98 1HG1 ILE 98 -14.454 -8.587 2.600 753 2HG1 ILE 98 2HG1 ILE 98 -15.469 -9.983 2.904 754 1HG2 ILE 98 3HG2 ILE 98 -15.649 -8.960 -0.837 755 2HG2 ILE 98 1HG2 ILE 98 -16.600 -8.834 0.663 756 3HG2 ILE 98 2HG2 ILE 98 -15.166 -7.807 0.430 757 1HD1 ILE 98 3HD1 ILE 98 -13.392 -11.447 2.584 758 2HD1 ILE 98 1HD1 ILE 98 -12.439 -9.943 2.574 759 3HD1 ILE 98 2HD1 ILE 98 -13.371 -10.395 4.021 760 H ILE 99 H ILE 99 -17.010 -11.881 2.390 761 HA ILE 99 HA ILE 99 -19.206 -12.000 0.499 762 HB ILE 99 HB ILE 99 -18.708 -13.754 2.252 763 1HG1 ILE 99 1HG1 ILE 99 -21.502 -12.801 2.673 764 2HG1 ILE 99 2HG1 ILE 99 -20.995 -13.077 1.019 765 1HG2 ILE 99 3HG2 ILE 99 -18.818 -11.514 3.976 766 2HG2 ILE 99 1HG2 ILE 99 -20.227 -12.533 4.357 767 3HG2 ILE 99 2HG2 ILE 99 -18.588 -13.228 4.401 768 1HD1 ILE 99 2HD1 ILE 99 -20.051 -15.362 1.933 769 2HD1 ILE 99 3HD1 ILE 99 -21.141 -15.055 3.308 770 3HD1 ILE 99 1HD1 ILE 99 -21.802 -15.195 1.660 771 H THR 100 H THR 100 -21.401 -11.095 1.585 772 HA THR 100 HA THR 100 -21.003 -8.272 1.675 773 HB THR 100 HB THR 100 -22.946 -9.568 0.610 774 HG1 THR 100 HG1 THR 100 -23.358 -7.597 2.747 775 1HG2 THR 100 2HG2 THR 100 -23.201 -10.741 3.134 776 2HG2 THR 100 3HG2 THR 100 -24.431 -9.455 3.177 777 3HG2 THR 100 1HG2 THR 100 -24.483 -10.694 1.899 778 H THR 101 H THR 101 -21.624 -6.805 3.371 779 HA THR 101 HA THR 101 -21.845 -7.979 6.026 780 HB THR 101 HB THR 101 -19.383 -7.741 5.551 781 HG1 THR 101 HG1 THR 101 -19.138 -6.272 7.473 782 1HG2 THR 101 3HG2 THR 101 -20.125 -5.341 4.270 783 2HG2 THR 101 1HG2 THR 101 -19.429 -4.803 5.819 784 3HG2 THR 101 2HG2 THR 101 -18.467 -5.814 4.713 785 H ILE 102 H ILE 102 -22.216 -6.186 7.704 786 HA ILE 102 HA ILE 102 -23.861 -4.124 6.408 787 HB ILE 102 HB ILE 102 -24.894 -6.086 7.808 788 1HG1 ILE 102 1HG1 ILE 102 -26.533 -4.176 8.746 789 2HG1 ILE 102 2HG1 ILE 102 -25.614 -3.198 7.619 790 1HG2 ILE 102 3HG2 ILE 102 -23.277 -5.341 9.753 791 2HG2 ILE 102 1HG2 ILE 102 -24.576 -4.171 10.087 792 3HG2 ILE 102 2HG2 ILE 102 -24.927 -5.918 10.094 793 1HD1 ILE 102 1HD1 ILE 102 -26.583 -5.880 6.653 794 2HD1 ILE 102 2HD1 ILE 102 -27.776 -4.572 6.832 795 3HD1 ILE 102 3HD1 ILE 102 -26.376 -4.360 5.753 796 H ASP 103 H ASP 103 -23.426 -2.012 6.884 797 HA ASP 103 HA ASP 103 -21.150 -1.600 8.597 798 1HB ASP 103 1HB ASP 103 -21.954 -0.475 6.202 799 2HB ASP 103 2HB ASP 103 -22.513 0.736 7.338 800 H SER 104 H SER 104 -21.362 0.659 9.925 801 HA SER 104 HA SER 104 -23.593 0.261 11.648 802 1HB SER 104 1HB SER 104 -22.519 1.925 13.076 803 2HB SER 104 2HB SER 104 -21.309 0.794 12.501 804 HG SER 104 HG SER 104 -21.841 3.358 11.263 No H/Q in entry = 804 Start of MODEL 19 1 H ALA 1 H ALA 1 34.229 4.177 -33.903 2 HA ALA 1 HA ALA 1 32.550 1.926 -34.753 3 1HB ALA 1 1HB ALA 1 35.305 2.226 -33.626 4 2HB ALA 1 2HB ALA 1 34.368 0.798 -33.123 5 3HB ALA 1 3HB ALA 1 34.687 1.089 -34.849 6 H GLU 2 H GLU 2 30.708 1.740 -33.581 7 HA GLU 2 HA GLU 2 30.774 1.326 -30.871 8 1HB GLU 2 1HB GLU 2 30.847 4.123 -31.501 9 2HB GLU 2 2HB GLU 2 29.247 3.784 -30.873 10 1HG GLU 2 1HG GLU 2 30.911 2.328 -29.151 11 2HG GLU 2 2HG GLU 2 31.853 3.769 -29.475 12 H GLU 3 H GLU 3 28.314 1.661 -29.946 13 HA GLU 3 HA GLU 3 26.288 1.668 -31.859 14 1HB GLU 3 1HB GLU 3 27.616 -0.903 -31.426 15 2HB GLU 3 2HB GLU 3 25.922 -0.994 -30.985 16 1HG GLU 3 1HG GLU 3 25.595 0.327 -33.299 17 2HG GLU 3 2HG GLU 3 27.156 -0.378 -33.670 18 H SER 4 H SER 4 24.180 0.517 -30.712 19 HA SER 4 HA SER 4 24.229 0.405 -27.932 20 1HB SER 4 1HB SER 4 23.922 3.079 -29.093 21 2HB SER 4 2HB SER 4 22.514 2.640 -28.145 22 HG SER 4 HG SER 4 24.080 3.636 -26.788 23 H SER 5 H SER 5 21.724 0.664 -27.120 24 HA SER 5 HA SER 5 19.746 0.307 -29.035 25 1HB SER 5 1HB SER 5 21.265 -1.994 -28.816 26 2HB SER 5 2HB SER 5 20.001 -2.309 -27.646 27 HG SER 5 HG SER 5 19.099 -1.256 -30.104 28 H LYS 6 H LYS 6 17.707 -0.876 -27.785 29 HA LYS 6 HA LYS 6 17.661 -0.835 -25.010 30 1HB LYS 6 1HB LYS 6 17.597 1.806 -26.181 31 2HB LYS 6 2HB LYS 6 16.075 1.476 -25.380 32 1HG LYS 6 1HG LYS 6 17.745 0.489 -23.482 33 2HG LYS 6 2HG LYS 6 18.839 1.647 -24.212 34 1HD LYS 6 1HD LYS 6 17.842 3.255 -22.961 35 2HD LYS 6 2HD LYS 6 16.426 3.078 -23.976 36 1HE LYS 6 1HE LYS 6 16.211 0.915 -22.197 37 2HE LYS 6 2HE LYS 6 16.853 2.196 -21.190 38 1HZ LYS 6 3HZ LYS 6 14.884 3.304 -22.776 39 2HZ LYS 6 1HZ LYS 6 14.268 1.917 -22.171 40 3HZ LYS 6 2HZ LYS 6 14.847 3.062 -21.161 41 H ALA 7 H ALA 7 15.513 -1.322 -24.191 42 HA ALA 7 HA ALA 7 13.152 -1.217 -25.421 43 1HB ALA 7 2HB ALA 7 13.323 -3.777 -26.394 44 2HB ALA 7 3HB ALA 7 13.455 -2.309 -27.391 45 3HB ALA 7 1HB ALA 7 14.926 -3.134 -26.820 46 H VAL 8 H VAL 8 12.466 -1.254 -23.274 47 HA VAL 8 HA VAL 8 13.266 -2.816 -21.249 48 HB VAL 8 HB VAL 8 11.718 -1.290 -20.621 49 1HG1 VAL 8 2HG1 VAL 8 10.626 -1.757 -23.293 50 2HG1 VAL 8 3HG1 VAL 8 9.358 -1.491 -22.073 51 3HG1 VAL 8 1HG1 VAL 8 10.640 -0.277 -22.304 52 1HG2 VAL 8 1HG2 VAL 8 10.110 -3.839 -20.946 53 2HG2 VAL 8 2HG2 VAL 8 11.001 -3.280 -19.511 54 3HG2 VAL 8 3HG2 VAL 8 9.536 -2.420 -20.039 55 H LYS 9 H LYS 9 10.332 -3.713 -23.200 56 HA LYS 9 HA LYS 9 9.628 -5.677 -23.945 57 1HB LYS 9 1HB LYS 9 12.503 -6.087 -23.796 58 2HB LYS 9 2HB LYS 9 11.637 -7.574 -23.466 59 1HG LYS 9 1HG LYS 9 10.325 -6.224 -25.667 60 2HG LYS 9 2HG LYS 9 12.042 -6.286 -26.005 61 1HD LYS 9 1HD LYS 9 11.450 -8.849 -24.971 62 2HD LYS 9 2HD LYS 9 10.074 -8.469 -25.985 63 1HE LYS 9 1HE LYS 9 12.864 -7.951 -27.042 64 2HE LYS 9 2HE LYS 9 12.249 -9.592 -27.033 65 1HZ LYS 9 2HZ LYS 9 10.627 -7.432 -28.138 66 2HZ LYS 9 3HZ LYS 9 11.799 -8.123 -29.041 67 3HZ LYS 9 1HZ LYS 9 10.566 -9.030 -28.471 68 H TYR 10 H TYR 10 11.702 -6.271 -21.017 69 HA TYR 10 HA TYR 10 9.283 -7.259 -19.689 70 1HB TYR 10 1HB TYR 10 11.613 -8.706 -18.798 71 2HB TYR 10 2HB TYR 10 10.267 -9.364 -19.705 72 HD1 TYR 10 HD1 TYR 10 10.544 -10.074 -21.944 73 HD2 TYR 10 HD2 TYR 10 13.562 -7.662 -20.105 74 HE1 TYR 10 HE1 TYR 10 12.088 -10.482 -23.923 75 HE2 TYR 10 HE2 TYR 10 15.094 -8.077 -22.090 76 HH TYR 10 HH TYR 10 14.874 -10.426 -24.074 77 H TYR 11 H TYR 11 8.977 -6.256 -17.764 78 HA TYR 11 HA TYR 11 11.375 -5.227 -16.409 79 1HB TYR 11 1HB TYR 11 8.888 -3.969 -17.465 80 2HB TYR 11 2HB TYR 11 9.093 -3.640 -15.756 81 HD1 TYR 11 HD1 TYR 11 12.202 -3.622 -15.838 82 HD2 TYR 11 HD2 TYR 11 9.210 -1.718 -18.232 83 HE1 TYR 11 HE1 TYR 11 13.830 -1.751 -16.399 84 HE2 TYR 11 HE2 TYR 11 10.848 0.146 -18.784 85 HH TYR 11 HH TYR 11 13.717 0.588 -17.076 86 H THR 12 H THR 12 10.970 -4.797 -14.027 87 HA THR 12 HA THR 12 9.192 -6.902 -12.994 88 HB THR 12 HB THR 12 10.786 -7.031 -11.138 89 HG1 THR 12 HG1 THR 12 12.226 -5.306 -10.865 90 1HG2 THR 12 2HG2 THR 12 11.669 -7.330 -13.892 91 2HG2 THR 12 3HG2 THR 12 13.007 -6.673 -12.918 92 3HG2 THR 12 1HG2 THR 12 12.237 -8.208 -12.452 93 H LEU 13 H LEU 13 8.017 -6.500 -11.002 94 HA LEU 13 HA LEU 13 6.450 -4.296 -11.090 95 1HB LEU 13 1HB LEU 13 7.085 -6.388 -9.149 96 2HB LEU 13 2HB LEU 13 6.540 -4.901 -8.399 97 HG LEU 13 HG LEU 13 5.051 -6.530 -10.472 98 1HD1 LEU 13 1HD1 LEU 13 5.050 -7.530 -8.246 99 2HD1 LEU 13 2HD1 LEU 13 4.460 -6.002 -7.545 100 3HD1 LEU 13 3HD1 LEU 13 3.434 -6.919 -8.675 101 1HD2 LEU 13 3HD2 LEU 13 4.440 -3.828 -9.274 102 2HD2 LEU 13 1HD2 LEU 13 4.484 -4.310 -10.987 103 3HD2 LEU 13 2HD2 LEU 13 3.169 -4.886 -9.934 104 H GLU 14 H GLU 14 9.665 -4.655 -9.554 105 HA GLU 14 HA GLU 14 9.536 -2.208 -8.200 106 1HB GLU 14 1HB GLU 14 11.322 -4.399 -8.387 107 2HB GLU 14 2HB GLU 14 12.255 -3.012 -8.913 108 1HG GLU 14 1HG GLU 14 12.337 -2.135 -6.809 109 2HG GLU 14 2HG GLU 14 10.617 -2.360 -6.561 110 H GLU 15 H GLU 15 11.004 -3.239 -11.352 111 HA GLU 15 HA GLU 15 12.176 -0.871 -12.004 112 1HB GLU 15 1HB GLU 15 10.835 -2.926 -13.815 113 2HB GLU 15 2HB GLU 15 11.884 -1.650 -14.399 114 1HG GLU 15 1HG GLU 15 13.145 -3.083 -12.175 115 2HG GLU 15 2HG GLU 15 12.669 -4.201 -13.439 116 H ILE 16 H ILE 16 8.749 -1.894 -12.304 117 HA ILE 16 HA ILE 16 8.016 0.450 -13.773 118 HB ILE 16 HB ILE 16 6.215 -1.496 -12.336 119 1HG1 ILE 16 1HG1 ILE 16 6.666 -1.968 -15.195 120 2HG1 ILE 16 2HG1 ILE 16 8.104 -2.222 -14.228 121 1HG2 ILE 16 2HG2 ILE 16 5.511 0.814 -13.476 122 2HG2 ILE 16 3HG2 ILE 16 5.518 -0.213 -14.929 123 3HG2 ILE 16 1HG2 ILE 16 4.490 -0.643 -13.540 124 1HD1 ILE 16 1HD1 ILE 16 5.822 -3.353 -12.836 125 2HD1 ILE 16 2HD1 ILE 16 5.876 -3.970 -14.506 126 3HD1 ILE 16 3HD1 ILE 16 7.283 -4.175 -13.436 127 H GLN 17 H GLN 17 8.125 -0.613 -10.365 128 HA GLN 17 HA GLN 17 6.515 1.409 -9.362 129 1HB GLN 17 1HB GLN 17 7.648 -0.799 -8.300 130 2HB GLN 17 2HB GLN 17 8.810 0.377 -7.720 131 1HG GLN 17 1HG GLN 17 5.968 1.200 -7.379 132 2HG GLN 17 2HG GLN 17 6.414 -0.228 -6.469 133 1HE2 GLN 17 1HE2 GLN 17 5.696 1.992 -5.141 134 2HE2 GLN 17 2HE2 GLN 17 7.042 2.738 -4.347 135 H LYS 18 H LYS 18 10.033 1.223 -10.081 136 HA LYS 18 HA LYS 18 10.722 3.641 -8.840 137 1HB LYS 18 1HB LYS 18 12.044 2.121 -11.106 138 2HB LYS 18 2HB LYS 18 12.771 3.461 -10.244 139 1HG LYS 18 1HG LYS 18 12.403 2.144 -8.076 140 2HG LYS 18 2HG LYS 18 11.918 0.779 -9.062 141 1HD LYS 18 1HD LYS 18 14.117 0.218 -9.175 142 2HD LYS 18 2HD LYS 18 14.324 1.585 -10.253 143 1HE LYS 18 1HE LYS 18 14.507 2.981 -7.996 144 2HE LYS 18 2HE LYS 18 14.865 1.425 -7.275 145 1HZ LYS 18 3HZ LYS 18 16.392 1.505 -9.513 146 2HZ LYS 18 1HZ LYS 18 16.494 3.028 -8.932 147 3HZ LYS 18 2HZ LYS 18 16.912 1.764 -7.986 148 H HIS 19 H HIS 19 9.190 2.828 -11.927 149 HA HIS 19 HA HIS 19 9.548 5.569 -12.830 150 1HB HIS 19 1HB HIS 19 8.684 3.003 -14.147 151 2HB HIS 19 2HB HIS 19 8.302 4.547 -14.883 152 HD1 HIS 19 HD1 HIS 19 9.893 4.577 -16.843 153 HD2 HIS 19 HD2 HIS 19 11.805 3.650 -13.225 154 HE1 HIS 19 HE1 HIS 19 12.395 4.534 -17.346 155 HE2 HIS 19 HE2 HIS 19 13.520 4.014 -15.074 156 H ASN 20 H ASN 20 8.184 6.681 -11.345 157 HA ASN 20 HA ASN 20 5.382 6.246 -11.947 158 1HB ASN 20 1HB ASN 20 5.476 5.195 -9.808 159 2HB ASN 20 2HB ASN 20 6.695 6.300 -9.209 160 1HD2 ASN 20 1HD2 ASN 20 3.563 6.760 -10.842 161 2HD2 ASN 20 2HD2 ASN 20 2.837 7.779 -9.646 162 H ASN 21 H ASN 21 7.830 8.197 -12.436 163 HA ASN 21 HA ASN 21 6.608 10.591 -11.330 164 1HB ASN 21 1HB ASN 21 9.338 10.287 -12.683 165 2HB ASN 21 2HB ASN 21 8.772 11.693 -11.804 166 1HD2 ASN 21 1HD2 ASN 21 10.141 8.551 -11.637 167 2HD2 ASN 21 2HD2 ASN 21 10.384 8.448 -9.925 168 H SER 22 H SER 22 6.638 12.555 -12.896 169 HA SER 22 HA SER 22 5.328 11.885 -15.229 170 1HB SER 22 1HB SER 22 5.858 14.216 -13.764 171 2HB SER 22 2HB SER 22 6.646 14.521 -15.299 172 HG SER 22 HG SER 22 3.979 13.463 -15.276 173 H LYS 23 H LYS 23 8.695 11.875 -14.438 174 HA LYS 23 HA LYS 23 9.524 12.285 -17.193 175 1HB LYS 23 1HB LYS 23 10.667 13.143 -14.956 176 2HB LYS 23 2HB LYS 23 11.414 11.558 -14.984 177 1HG LYS 23 1HG LYS 23 12.197 11.980 -17.333 178 2HG LYS 23 2HG LYS 23 11.473 13.574 -17.279 179 1HD LYS 23 1HD LYS 23 12.940 13.912 -15.112 180 2HD LYS 23 2HD LYS 23 13.847 12.533 -15.703 181 1HE LYS 23 1HE LYS 23 13.631 14.088 -17.998 182 2HE LYS 23 2HE LYS 23 13.743 15.313 -16.749 183 1HZ LYS 23 3HZ LYS 23 15.607 13.414 -16.111 184 2HZ LYS 23 1HZ LYS 23 15.752 13.621 -17.725 185 3HZ LYS 23 2HZ LYS 23 15.892 14.902 -16.722 186 H SER 24 H SER 24 8.633 9.753 -14.972 187 HA SER 24 HA SER 24 9.253 7.852 -17.033 188 1HB SER 24 1HB SER 24 10.845 8.095 -14.596 189 2HB SER 24 2HB SER 24 10.059 6.530 -14.652 190 HG SER 24 HG SER 24 11.407 7.545 -16.981 191 H THR 25 H THR 25 6.845 7.999 -17.090 192 HA THR 25 HA THR 25 5.532 6.819 -14.751 193 HB THR 25 HB THR 25 4.054 7.863 -17.166 194 HG1 THR 25 HG1 THR 25 5.453 9.408 -15.097 195 1HG2 THR 25 1HG2 THR 25 3.769 7.904 -14.139 196 2HG2 THR 25 2HG2 THR 25 2.912 9.107 -15.131 197 3HG2 THR 25 3HG2 THR 25 2.587 7.371 -15.358 198 H TRP 26 H TRP 26 5.972 4.641 -14.836 199 HA TRP 26 HA TRP 26 5.082 3.313 -17.307 200 1HB TRP 26 1HB TRP 26 7.437 2.923 -15.574 201 2HB TRP 26 2HB TRP 26 6.599 1.451 -16.025 202 HD1 TRP 26 HD1 TRP 26 7.446 0.450 -18.280 203 HE1 TRP 26 HE1 TRP 26 8.669 1.260 -20.474 204 HE3 TRP 26 HE3 TRP 26 7.560 5.377 -17.028 205 HZ2 TRP 26 HZ2 TRP 26 9.527 3.812 -21.420 206 HZ3 TRP 26 HZ3 TRP 26 8.608 6.961 -18.643 207 HH2 TRP 26 HH2 TRP 26 9.570 6.249 -20.773 208 H LEU 27 H LEU 27 3.625 1.552 -17.060 209 HA LEU 27 HA LEU 27 2.879 0.780 -14.376 210 1HB LEU 27 1HB LEU 27 0.780 1.604 -14.312 211 2HB LEU 27 2HB LEU 27 1.567 2.890 -15.204 212 HG LEU 27 HG LEU 27 -0.421 2.566 -16.358 213 1HD1 LEU 27 3HD1 LEU 27 1.899 2.144 -17.674 214 2HD1 LEU 27 1HD1 LEU 27 1.027 0.648 -18.087 215 3HD1 LEU 27 2HD1 LEU 27 0.307 2.231 -18.466 216 1HD2 LEU 27 3HD2 LEU 27 -0.618 0.181 -15.107 217 2HD2 LEU 27 1HD2 LEU 27 -1.668 0.688 -16.452 218 3HD2 LEU 27 2HD2 LEU 27 -0.267 -0.363 -16.766 219 H ILE 28 H ILE 28 1.286 -1.096 -14.460 220 HA ILE 28 HA ILE 28 1.834 -2.637 -16.901 221 HB ILE 28 HB ILE 28 1.165 -3.885 -14.265 222 1HG1 ILE 28 1HG1 ILE 28 4.042 -3.463 -14.924 223 2HG1 ILE 28 2HG1 ILE 28 3.166 -2.098 -14.264 224 1HG2 ILE 28 2HG2 ILE 28 2.354 -4.707 -16.867 225 2HG2 ILE 28 3HG2 ILE 28 2.966 -5.497 -15.396 226 3HG2 ILE 28 1HG2 ILE 28 1.232 -5.569 -15.787 227 1HD1 ILE 28 1HD1 ILE 28 2.325 -4.240 -12.656 228 2HD1 ILE 28 2HD1 ILE 28 4.056 -4.556 -12.928 229 3HD1 ILE 28 3HD1 ILE 28 3.534 -3.009 -12.218 230 H LEU 29 H LEU 29 0.123 -3.178 -18.151 231 HA LEU 29 HA LEU 29 -2.517 -3.059 -16.869 232 1HB LEU 29 1HB LEU 29 -1.604 -1.255 -18.688 233 2HB LEU 29 2HB LEU 29 -2.350 -2.437 -19.745 234 HG LEU 29 HG LEU 29 -3.590 -0.579 -17.781 235 1HD1 LEU 29 1HD1 LEU 29 -3.576 -0.362 -20.327 236 2HD1 LEU 29 2HD1 LEU 29 -4.754 -1.698 -20.330 237 3HD1 LEU 29 3HD1 LEU 29 -5.140 -0.174 -19.497 238 1HD2 LEU 29 3HD2 LEU 29 -4.533 -3.404 -18.209 239 2HD2 LEU 29 1HD2 LEU 29 -4.394 -2.472 -16.699 240 3HD2 LEU 29 2HD2 LEU 29 -5.685 -2.091 -17.862 241 H HIS 30 H HIS 30 -3.658 -4.923 -16.984 242 HA HIS 30 HA HIS 30 -4.344 -6.901 -17.652 243 1HB HIS 30 1HB HIS 30 -4.283 -5.749 -19.950 244 2HB HIS 30 2HB HIS 30 -2.789 -6.622 -20.227 245 HD1 HIS 30 HD1 HIS 30 -3.304 -9.419 -19.333 246 HD2 HIS 30 HD2 HIS 30 -6.269 -7.116 -21.207 247 HE1 HIS 30 HE1 HIS 30 -4.987 -11.073 -20.305 248 HE2 HIS 30 HE2 HIS 30 -6.812 -9.599 -21.397 249 H TYR 31 H TYR 31 -0.889 -6.289 -18.553 250 HA TYR 31 HA TYR 31 0.188 -7.975 -16.681 251 1HB TYR 31 1HB TYR 31 -0.238 -10.071 -17.588 252 2HB TYR 31 2HB TYR 31 -1.134 -9.321 -18.893 253 HD1 TYR 31 HD1 TYR 31 -0.375 -9.575 -21.083 254 HD2 TYR 31 HD2 TYR 31 2.396 -10.058 -17.861 255 HE1 TYR 31 HE1 TYR 31 1.419 -10.311 -22.727 256 HE2 TYR 31 HE2 TYR 31 4.182 -10.790 -19.515 257 HH TYR 31 HH TYR 31 4.730 -10.839 -21.663 258 H LYS 32 H LYS 32 0.226 -6.139 -19.607 259 HA LYS 32 HA LYS 32 3.134 -6.386 -19.810 260 1HB LYS 32 1HB LYS 32 1.251 -4.998 -21.732 261 2HB LYS 32 2HB LYS 32 2.925 -5.438 -22.001 262 1HG LYS 32 1HG LYS 32 2.132 -7.368 -22.910 263 2HG LYS 32 2HG LYS 32 1.785 -7.877 -21.270 264 1HD LYS 32 1HD LYS 32 -0.471 -7.647 -21.548 265 2HD LYS 32 2HD LYS 32 -0.309 -6.096 -22.347 266 1HE LYS 32 1HE LYS 32 0.507 -7.419 -24.426 267 2HE LYS 32 2HE LYS 32 -0.049 -8.862 -23.601 268 1HZ LYS 32 3HZ LYS 32 -2.090 -7.061 -23.393 269 2HZ LYS 32 1HZ LYS 32 -1.562 -6.908 -24.931 270 3HZ LYS 32 2HZ LYS 32 -2.035 -8.367 -24.373 271 H VAL 33 H VAL 33 4.367 -4.304 -20.147 272 HA VAL 33 HA VAL 33 3.281 -2.310 -18.298 273 HB VAL 33 HB VAL 33 5.641 -1.600 -18.095 274 1HG1 VAL 33 1HG1 VAL 33 4.556 -4.217 -17.273 275 2HG1 VAL 33 2HG1 VAL 33 6.330 -4.089 -17.183 276 3HG1 VAL 33 3HG1 VAL 33 5.306 -2.926 -16.304 277 1HG2 VAL 33 1HG2 VAL 33 6.021 -3.024 -20.449 278 2HG2 VAL 33 2HG2 VAL 33 7.296 -2.347 -19.406 279 3HG2 VAL 33 3HG2 VAL 33 6.793 -4.044 -19.211 280 H TYR 34 H TYR 34 2.867 -0.229 -18.960 281 HA TYR 34 HA TYR 34 3.547 0.364 -21.763 282 1HB TYR 34 1HB TYR 34 1.219 1.306 -19.976 283 2HB TYR 34 2HB TYR 34 1.389 1.672 -21.681 284 HD1 TYR 34 HD1 TYR 34 1.263 -1.345 -19.443 285 HD2 TYR 34 HD2 TYR 34 0.135 0.419 -23.173 286 HE1 TYR 34 HE1 TYR 34 -0.074 -3.427 -20.031 287 HE2 TYR 34 HE2 TYR 34 -1.198 -1.669 -23.749 288 HH TYR 34 HH TYR 34 -1.437 -3.854 -23.215 289 H ASP 35 H ASP 35 3.965 2.637 -22.271 290 HA ASP 35 HA ASP 35 5.337 3.871 -20.074 291 1HB ASP 35 1HB ASP 35 6.095 3.622 -22.601 292 2HB ASP 35 2HB ASP 35 5.087 5.032 -22.865 293 H LEU 36 H LEU 36 3.489 4.636 -18.799 294 HA LEU 36 HA LEU 36 1.313 5.991 -19.836 295 1HB LEU 36 1HB LEU 36 2.658 5.960 -17.149 296 2HB LEU 36 2HB LEU 36 1.269 6.984 -17.452 297 HG LEU 36 HG LEU 36 1.440 4.006 -17.263 298 1HD1 LEU 36 2HD1 LEU 36 0.216 6.170 -15.827 299 2HD1 LEU 36 3HD1 LEU 36 -1.039 5.038 -16.383 300 3HD1 LEU 36 1HD1 LEU 36 0.322 4.446 -15.401 301 1HD2 LEU 36 3HD2 LEU 36 -0.448 5.504 -19.069 302 2HD2 LEU 36 1HD2 LEU 36 0.496 4.030 -19.394 303 3HD2 LEU 36 2HD2 LEU 36 -0.915 3.963 -18.309 304 H THR 37 H THR 37 4.630 7.068 -19.115 305 HA THR 37 HA THR 37 4.229 9.803 -19.043 306 HB THR 37 HB THR 37 6.429 7.862 -19.536 307 HG1 THR 37 HG1 THR 37 7.343 9.754 -18.165 308 1HG2 THR 37 1HG2 THR 37 6.672 9.444 -21.534 309 2HG2 THR 37 2HG2 THR 37 6.749 10.790 -20.371 310 3HG2 THR 37 3HG2 THR 37 8.013 9.535 -20.366 311 H LYS 38 H LYS 38 3.818 7.577 -21.702 312 HA LYS 38 HA LYS 38 4.015 9.731 -23.640 313 1HB LYS 38 1HB LYS 38 4.460 6.931 -23.685 314 2HB LYS 38 2HB LYS 38 3.087 7.230 -24.731 315 1HG LYS 38 1HG LYS 38 4.494 9.165 -25.753 316 2HG LYS 38 2HG LYS 38 5.863 8.470 -24.908 317 1HD LYS 38 1HD LYS 38 4.600 6.273 -26.192 318 2HD LYS 38 2HD LYS 38 4.564 7.568 -27.372 319 1HE LYS 38 1HE LYS 38 7.035 7.929 -27.012 320 2HE LYS 38 2HE LYS 38 7.051 6.584 -25.888 321 1HZ LYS 38 3HZ LYS 38 6.096 6.305 -28.647 322 2HZ LYS 38 1HZ LYS 38 7.655 6.063 -28.228 323 3HZ LYS 38 2HZ LYS 38 6.485 5.114 -27.599 324 H PHE 39 H PHE 39 1.644 7.802 -21.832 325 HA PHE 39 HA PHE 39 -0.498 9.026 -23.398 326 1HB PHE 39 1HB PHE 39 -0.255 6.479 -22.822 327 2HB PHE 39 2HB PHE 39 -0.585 6.923 -21.160 328 HD1 PHE 39 HD1 PHE 39 -2.187 8.393 -24.161 329 HD2 PHE 39 HD2 PHE 39 -2.631 5.809 -20.824 330 HE1 PHE 39 HE1 PHE 39 -4.652 8.237 -24.609 331 HE2 PHE 39 HE2 PHE 39 -5.096 5.653 -21.273 332 HZ PHE 39 HZ PHE 39 -6.076 6.869 -23.160 333 H LEU 40 H LEU 40 1.336 10.239 -21.145 334 HA LEU 40 HA LEU 40 -0.387 10.654 -18.944 335 1HB LEU 40 1HB LEU 40 2.270 11.498 -19.844 336 2HB LEU 40 2HB LEU 40 1.420 12.731 -18.934 337 HG LEU 40 HG LEU 40 2.166 9.944 -18.028 338 1HD1 LEU 40 3HD1 LEU 40 3.613 12.257 -17.953 339 2HD1 LEU 40 1HD1 LEU 40 2.812 12.285 -16.365 340 3HD1 LEU 40 2HD1 LEU 40 3.812 10.888 -16.834 341 1HD2 LEU 40 1HD2 LEU 40 -0.094 11.551 -17.191 342 2HD2 LEU 40 2HD2 LEU 40 0.369 9.897 -16.724 343 3HD2 LEU 40 3HD2 LEU 40 1.045 11.291 -15.847 344 H GLU 41 H GLU 41 0.530 12.671 -21.818 345 HA GLU 41 HA GLU 41 -1.017 14.833 -21.165 346 1HB GLU 41 1HB GLU 41 -0.928 15.363 -23.614 347 2HB GLU 41 2HB GLU 41 0.635 14.926 -22.950 348 1HG GLU 41 1HG GLU 41 0.182 12.524 -23.743 349 2HG GLU 41 2HG GLU 41 -1.222 13.144 -24.590 350 H GLU 42 H GLU 42 -1.858 11.928 -23.170 351 HA GLU 42 HA GLU 42 -4.443 12.784 -23.720 352 1HB GLU 42 1HB GLU 42 -2.939 10.191 -23.874 353 2HB GLU 42 2HB GLU 42 -4.687 10.100 -23.952 354 1HG GLU 42 1HG GLU 42 -3.347 12.182 -25.664 355 2HG GLU 42 2HG GLU 42 -3.156 10.510 -26.149 356 H HIS 43 H HIS 43 -6.243 10.800 -23.017 357 HA HIS 43 HA HIS 43 -7.342 9.816 -21.343 358 1HB HIS 43 1HB HIS 43 -4.936 9.712 -20.228 359 2HB HIS 43 2HB HIS 43 -5.604 10.954 -19.186 360 HD1 HIS 43 HD1 HIS 43 -7.700 10.270 -17.687 361 HD2 HIS 43 HD2 HIS 43 -5.861 7.119 -19.759 362 HE1 HIS 43 HE1 HIS 43 -8.556 8.116 -16.619 363 HE2 HIS 43 HE2 HIS 43 -7.435 6.215 -17.970 364 HA PRO 44 HA PRO 44 -9.759 13.311 -20.479 365 1HB PRO 44 1HB PRO 44 -11.897 12.094 -19.290 366 2HB PRO 44 2HB PRO 44 -11.692 12.189 -21.028 367 1HG PRO 44 1HG PRO 44 -11.303 9.868 -19.238 368 2HG PRO 44 2HG PRO 44 -11.518 9.888 -20.977 369 1HD PRO 44 1HD PRO 44 -9.055 9.508 -19.558 370 2HD PRO 44 2HD PRO 44 -9.254 9.644 -21.294 371 H GLY 45 H GLY 45 -9.471 11.000 -17.831 372 1HA GLY 45 2HA GLY 45 -9.013 11.328 -15.655 373 2HA GLY 45 1HA GLY 45 -10.101 12.698 -15.749 374 H GLY 46 H GLY 46 -6.899 12.126 -17.359 375 1HA GLY 46 2HA GLY 46 -5.754 14.308 -15.756 376 2HA GLY 46 1HA GLY 46 -5.755 14.443 -17.503 377 H GLU 47 H GLU 47 -3.371 14.350 -15.880 378 HA GLU 47 HA GLU 47 -2.137 12.115 -17.170 379 1HB GLU 47 1HB GLU 47 -1.094 14.485 -15.580 380 2HB GLU 47 2HB GLU 47 -0.032 13.183 -16.079 381 1HG GLU 47 1HG GLU 47 -0.168 13.735 -18.333 382 2HG GLU 47 2HG GLU 47 -1.814 14.321 -18.207 383 H GLU 48 H GLU 48 -2.720 13.322 -13.814 384 HA GLU 48 HA GLU 48 -1.287 11.482 -12.441 385 1HB GLU 48 1HB GLU 48 -3.266 13.430 -11.870 386 2HB GLU 48 2HB GLU 48 -3.860 11.953 -11.140 387 1HG GLU 48 1HG GLU 48 -1.782 11.655 -9.881 388 2HG GLU 48 2HG GLU 48 -1.009 12.969 -10.743 389 H VAL 49 H VAL 49 -4.663 11.188 -13.717 390 HA VAL 49 HA VAL 49 -5.472 8.866 -12.650 391 HB VAL 49 HB VAL 49 -6.664 10.323 -14.275 392 1HG1 VAL 49 3HG1 VAL 49 -4.540 9.938 -15.931 393 2HG1 VAL 49 1HG1 VAL 49 -5.701 8.766 -16.601 394 3HG1 VAL 49 2HG1 VAL 49 -6.146 10.485 -16.470 395 1HG2 VAL 49 3HG2 VAL 49 -7.145 7.761 -13.648 396 2HG2 VAL 49 1HG2 VAL 49 -8.165 8.680 -14.780 397 3HG2 VAL 49 2HG2 VAL 49 -6.917 7.574 -15.404 398 H LEU 50 H LEU 50 -2.764 9.354 -14.857 399 HA LEU 50 HA LEU 50 -2.485 6.445 -15.095 400 1HB LEU 50 1HB LEU 50 -1.114 8.595 -16.709 401 2HB LEU 50 2HB LEU 50 -1.076 6.867 -16.995 402 HG LEU 50 HG LEU 50 -3.816 7.697 -16.978 403 1HD1 LEU 50 3HD1 LEU 50 -1.960 9.634 -18.218 404 2HD1 LEU 50 1HD1 LEU 50 -3.325 9.115 -19.235 405 3HD1 LEU 50 2HD1 LEU 50 -3.631 9.839 -17.639 406 1HD2 LEU 50 3HD2 LEU 50 -1.978 6.724 -19.181 407 2HD2 LEU 50 1HD2 LEU 50 -3.008 5.730 -18.121 408 3HD2 LEU 50 2HD2 LEU 50 -3.750 6.839 -19.300 409 H ARG 51 H ARG 51 -0.831 9.510 -14.176 410 HA ARG 51 HA ARG 51 1.576 8.300 -13.535 411 1HB ARG 51 1HB ARG 51 0.799 10.864 -13.759 412 2HB ARG 51 2HB ARG 51 0.595 10.733 -12.023 413 1HG ARG 51 1HG ARG 51 3.137 9.535 -12.785 414 2HG ARG 51 2HG ARG 51 3.028 11.144 -13.471 415 1HD ARG 51 1HD ARG 51 2.045 11.554 -10.897 416 2HD ARG 51 2HD ARG 51 3.260 10.322 -10.626 417 HE ARG 51 HE ARG 51 4.362 12.321 -12.358 418 1HH1 ARG 51 2HH1 ARG 51 5.823 13.882 -11.546 419 2HH1 ARG 51 1HH1 ARG 51 5.879 14.213 -9.847 420 1HH2 ARG 51 2HH2 ARG 51 3.365 11.892 -9.010 421 2HH2 ARG 51 1HH2 ARG 51 4.472 13.074 -8.395 422 H GLU 52 H GLU 52 -1.340 9.161 -11.561 423 HA GLU 52 HA GLU 52 -0.313 8.457 -9.115 424 1HB GLU 52 1HB GLU 52 -2.892 9.128 -10.255 425 2HB GLU 52 2HB GLU 52 -3.096 7.787 -9.144 426 1HG GLU 52 1HG GLU 52 -1.345 10.057 -8.233 427 2HG GLU 52 2HG GLU 52 -3.067 10.369 -8.321 428 H GLN 53 H GLN 53 -1.228 6.477 -11.841 429 HA GLN 53 HA GLN 53 -1.422 4.141 -10.136 430 1HB GLN 53 1HB GLN 53 -2.241 2.982 -12.162 431 2HB GLN 53 2HB GLN 53 -3.183 4.423 -11.836 432 1HG GLN 53 1HG GLN 53 -1.967 5.687 -13.549 433 2HG GLN 53 2HG GLN 53 -0.830 4.374 -13.780 434 1HE2 GLN 53 1HE2 GLN 53 -4.041 5.560 -14.343 435 2HE2 GLN 53 2HE2 GLN 53 -4.551 4.382 -15.506 436 H ALA 54 H ALA 54 0.688 5.827 -12.400 437 HA ALA 54 HA ALA 54 2.266 3.715 -13.267 438 1HB ALA 54 2HB ALA 54 2.138 6.395 -13.716 439 2HB ALA 54 1HB ALA 54 3.518 5.379 -14.198 440 3HB ALA 54 3HB ALA 54 3.589 6.317 -12.687 441 H GLY 55 H GLY 55 3.738 2.411 -12.278 442 1HA GLY 55 2HA GLY 55 4.525 3.151 -9.524 443 2HA GLY 55 1HA GLY 55 5.670 2.526 -10.693 444 H GLY 56 H GLY 56 3.199 0.845 -11.788 445 1HA GLY 56 2HA GLY 56 2.762 -1.050 -9.651 446 2HA GLY 56 1HA GLY 56 3.856 -1.615 -10.897 447 H ASP 57 H ASP 57 1.563 -3.049 -10.617 448 HA ASP 57 HA ASP 57 0.439 -2.826 -13.150 449 1HB ASP 57 1HB ASP 57 0.418 -4.993 -12.206 450 2HB ASP 57 2HB ASP 57 -0.152 -4.421 -10.651 451 H ALA 58 H ALA 58 -1.101 -1.304 -13.771 452 HA ALA 58 HA ALA 58 -2.706 -0.057 -11.685 453 1HB ALA 58 2HB ALA 58 -1.380 1.281 -13.373 454 2HB ALA 58 3HB ALA 58 -2.462 0.646 -14.634 455 3HB ALA 58 1HB ALA 58 -3.116 1.663 -13.329 456 H THR 59 H THR 59 -2.837 -2.547 -14.091 457 HA THR 59 HA THR 59 -5.411 -2.408 -15.035 458 HB THR 59 HB THR 59 -3.345 -4.087 -15.378 459 HG1 THR 59 HG1 THR 59 -5.757 -3.838 -16.249 460 1HG2 THR 59 1HG2 THR 59 -3.969 -5.052 -12.948 461 2HG2 THR 59 2HG2 THR 59 -5.234 -5.903 -13.867 462 3HG2 THR 59 3HG2 THR 59 -3.519 -6.155 -14.272 463 H GLU 60 H GLU 60 -4.264 -3.445 -11.809 464 HA GLU 60 HA GLU 60 -6.570 -4.648 -10.966 465 1HB GLU 60 1HB GLU 60 -4.215 -3.355 -9.689 466 2HB GLU 60 2HB GLU 60 -5.636 -3.439 -8.666 467 1HG GLU 60 1HG GLU 60 -5.296 -5.650 -8.303 468 2HG GLU 60 2HG GLU 60 -5.370 -5.976 -10.023 469 H ASN 61 H ASN 61 -5.759 -1.198 -11.327 470 HA ASN 61 HA ASN 61 -8.197 -0.469 -9.966 471 1HB ASN 61 1HB ASN 61 -5.660 0.754 -10.282 472 2HB ASN 61 2HB ASN 61 -6.719 1.713 -11.298 473 1HD2 ASN 61 1HD2 ASN 61 -8.821 2.368 -10.327 474 2HD2 ASN 61 2HD2 ASN 61 -8.844 2.866 -8.667 475 H PHE 62 H PHE 62 -6.500 -0.128 -13.164 476 HA PHE 62 HA PHE 62 -8.444 1.268 -14.515 477 1HB PHE 62 1HB PHE 62 -6.615 0.985 -15.915 478 2HB PHE 62 2HB PHE 62 -6.069 -0.403 -14.995 479 HD1 PHE 62 HD1 PHE 62 -7.270 0.667 -18.109 480 HD2 PHE 62 HD2 PHE 62 -7.428 -2.627 -15.439 481 HE1 PHE 62 HE1 PHE 62 -7.902 -0.844 -20.012 482 HE2 PHE 62 HE2 PHE 62 -8.061 -4.139 -17.341 483 HZ PHE 62 HZ PHE 62 -8.291 -3.228 -19.605 484 H GLU 63 H GLU 63 -8.551 -1.978 -13.276 485 HA GLU 63 HA GLU 63 -10.370 -2.933 -15.237 486 1HB GLU 63 1HB GLU 63 -9.075 -3.976 -12.757 487 2HB GLU 63 2HB GLU 63 -10.630 -4.685 -13.148 488 1HG GLU 63 1HG GLU 63 -8.903 -4.427 -15.526 489 2HG GLU 63 2HG GLU 63 -8.154 -5.394 -14.271 490 H ASP 64 H ASP 64 -10.527 -1.466 -11.972 491 HA ASP 64 HA ASP 64 -13.215 -2.046 -11.536 492 1HB ASP 64 1HB ASP 64 -11.128 -0.849 -10.122 493 2HB ASP 64 2HB ASP 64 -12.210 0.502 -10.395 494 H VAL 65 H VAL 65 -11.405 0.710 -13.013 495 HA VAL 65 HA VAL 65 -13.708 2.343 -13.348 496 HB VAL 65 HB VAL 65 -11.872 3.644 -13.308 497 1HG1 VAL 65 1HG1 VAL 65 -10.416 1.298 -14.517 498 2HG1 VAL 65 2HG1 VAL 65 -9.665 2.911 -14.465 499 3HG1 VAL 65 3HG1 VAL 65 -10.151 2.105 -12.953 500 1HG2 VAL 65 1HG2 VAL 65 -12.923 4.137 -15.457 501 2HG2 VAL 65 2HG2 VAL 65 -11.160 4.361 -15.561 502 3HG2 VAL 65 3HG2 VAL 65 -11.916 2.905 -16.254 503 H GLY 66 H GLY 66 -12.862 -0.594 -14.709 504 1HA GLY 66 2HA GLY 66 -14.833 -0.901 -16.468 505 2HA GLY 66 1HA GLY 66 -13.244 -1.596 -16.717 506 H HIS 67 H HIS 67 -11.752 -0.627 -18.195 507 HA HIS 67 HA HIS 67 -12.517 1.820 -19.484 508 1HB HIS 67 1HB HIS 67 -10.169 -0.064 -19.730 509 2HB HIS 67 2HB HIS 67 -10.404 1.263 -20.852 510 HD1 HIS 67 HD1 HIS 67 -9.542 0.537 -17.252 511 HD2 HIS 67 HD2 HIS 67 -9.889 3.837 -19.817 512 HE1 HIS 67 HE1 HIS 67 -8.500 2.513 -16.018 513 HE2 HIS 67 HE2 HIS 67 -8.694 4.499 -17.665 514 H SER 68 H SER 68 -11.978 1.601 -22.116 515 HA SER 68 HA SER 68 -13.999 -0.311 -22.950 516 1HB SER 68 1HB SER 68 -14.533 1.144 -24.719 517 2HB SER 68 2HB SER 68 -14.144 2.251 -23.417 518 HG SER 68 HG SER 68 -13.130 2.552 -25.680 519 H THR 69 H THR 69 -13.627 -1.636 -24.877 520 HA THR 69 HA THR 69 -11.179 -2.871 -24.988 521 HB THR 69 HB THR 69 -13.555 -2.605 -26.864 522 HG1 THR 69 HG1 THR 69 -12.184 -4.794 -25.474 523 1HG2 THR 69 2HG2 THR 69 -11.061 -4.339 -27.277 524 2HG2 THR 69 3HG2 THR 69 -12.582 -4.488 -28.191 525 3HG2 THR 69 1HG2 THR 69 -11.588 -3.022 -28.353 526 H ASP 70 H ASP 70 -12.098 0.233 -26.307 527 HA ASP 70 HA ASP 70 -10.112 0.249 -28.306 528 1HB ASP 70 1HB ASP 70 -12.177 1.706 -28.275 529 2HB ASP 70 2HB ASP 70 -11.511 2.579 -26.908 530 H ALA 71 H ALA 71 -10.518 1.804 -25.034 531 HA ALA 71 HA ALA 71 -8.109 3.108 -24.890 532 1HB ALA 71 1HB ALA 71 -9.345 1.709 -22.509 533 2HB ALA 71 3HB ALA 71 -10.188 3.055 -23.313 534 3HB ALA 71 2HB ALA 71 -8.580 3.314 -22.596 535 H ARG 72 H ARG 72 -8.919 -0.325 -24.108 536 HA ARG 72 HA ARG 72 -6.409 -0.932 -23.107 537 1HB ARG 72 1HB ARG 72 -8.293 -2.865 -24.543 538 2HB ARG 72 2HB ARG 72 -7.111 -3.271 -23.314 539 1HG ARG 72 1HG ARG 72 -8.370 -1.913 -21.639 540 2HG ARG 72 2HG ARG 72 -9.540 -1.468 -22.866 541 1HD ARG 72 1HD ARG 72 -9.337 -4.328 -22.944 542 2HD ARG 72 2HD ARG 72 -9.431 -3.886 -21.252 543 HE ARG 72 HE ARG 72 -11.379 -2.449 -22.885 544 1HH1 ARG 72 2HH1 ARG 72 -13.594 -2.941 -22.600 545 2HH1 ARG 72 1HH1 ARG 72 -14.059 -4.388 -21.769 546 1HH2 ARG 72 2HH2 ARG 72 -10.758 -5.453 -21.160 547 2HH2 ARG 72 1HH2 ARG 72 -12.435 -5.826 -20.945 548 H GLU 73 H GLU 73 -7.867 -1.157 -26.406 549 HA GLU 73 HA GLU 73 -5.725 -2.481 -27.573 550 1HB GLU 73 1HB GLU 73 -8.244 -1.405 -28.380 551 2HB GLU 73 2HB GLU 73 -7.049 -0.715 -29.459 552 1HG GLU 73 1HG GLU 73 -6.501 -2.758 -30.400 553 2HG GLU 73 2HG GLU 73 -6.735 -3.637 -28.903 554 H LEU 74 H LEU 74 -6.455 1.002 -27.054 555 HA LEU 74 HA LEU 74 -4.414 2.017 -28.661 556 1HB LEU 74 1HB LEU 74 -5.282 3.951 -28.047 557 2HB LEU 74 2HB LEU 74 -6.479 3.019 -27.166 558 HG LEU 74 HG LEU 74 -4.555 3.134 -25.277 559 1HD1 LEU 74 1HD1 LEU 74 -3.849 5.190 -27.242 560 2HD1 LEU 74 2HD1 LEU 74 -4.048 5.819 -25.590 561 3HD1 LEU 74 3HD1 LEU 74 -2.900 4.497 -25.906 562 1HD2 LEU 74 2HD2 LEU 74 -7.052 4.446 -25.826 563 2HD2 LEU 74 3HD2 LEU 74 -6.334 3.985 -24.265 564 3HD2 LEU 74 1HD2 LEU 74 -5.956 5.568 -24.984 565 H SER 75 H SER 75 -4.485 0.876 -25.254 566 HA SER 75 HA SER 75 -2.037 1.820 -24.495 567 1HB SER 75 1HB SER 75 -2.147 0.228 -22.703 568 2HB SER 75 2HB SER 75 -3.802 0.681 -23.059 569 HG SER 75 HG SER 75 -3.425 -1.667 -22.801 570 H LYS 76 H LYS 76 -2.927 -0.897 -26.598 571 HA LYS 76 HA LYS 76 -0.588 -2.381 -26.450 572 1HB LYS 76 1HB LYS 76 -2.984 -2.559 -27.780 573 2HB LYS 76 2HB LYS 76 -1.878 -2.236 -29.100 574 1HG LYS 76 1HG LYS 76 -0.964 -4.315 -28.967 575 2HG LYS 76 2HG LYS 76 -0.715 -4.177 -27.238 576 1HD LYS 76 1HD LYS 76 -2.830 -5.080 -26.715 577 2HD LYS 76 2HD LYS 76 -3.524 -4.628 -28.259 578 1HE LYS 76 1HE LYS 76 -1.294 -6.444 -28.710 579 2HE LYS 76 2HE LYS 76 -2.381 -7.148 -27.529 580 1HZ LYS 76 3HZ LYS 76 -3.444 -5.960 -29.975 581 2HZ LYS 76 1HZ LYS 76 -2.864 -7.486 -29.983 582 3HZ LYS 76 2HZ LYS 76 -4.118 -7.093 -29.013 583 H THR 77 H THR 77 -1.117 0.833 -27.578 584 HA THR 77 HA THR 77 1.153 0.752 -29.399 585 HB THR 77 HB THR 77 -1.152 2.010 -29.698 586 HG1 THR 77 HG1 THR 77 0.121 3.475 -30.963 587 1HG2 THR 77 1HG2 THR 77 -0.381 3.265 -27.331 588 2HG2 THR 77 2HG2 THR 77 0.231 4.387 -28.571 589 3HG2 THR 77 3HG2 THR 77 -1.498 3.963 -28.529 590 H PHE 78 H PHE 78 0.365 1.557 -26.069 591 HA PHE 78 HA PHE 78 2.821 3.075 -25.792 592 1HB PHE 78 1HB PHE 78 0.462 2.250 -24.009 593 2HB PHE 78 2HB PHE 78 1.852 3.079 -23.340 594 HD1 PHE 78 HD1 PHE 78 2.489 5.121 -25.277 595 HD2 PHE 78 HD2 PHE 78 -1.318 3.716 -24.035 596 HE1 PHE 78 HE1 PHE 78 1.472 7.331 -25.895 597 HE2 PHE 78 HE2 PHE 78 -2.335 5.927 -24.653 598 HZ PHE 78 HZ PHE 78 -0.929 7.707 -25.577 599 H ILE 79 H ILE 79 1.817 -0.192 -25.720 600 HA ILE 79 HA ILE 79 3.150 -1.210 -23.525 601 HB ILE 79 HB ILE 79 2.134 -2.217 -26.107 602 1HG1 ILE 79 1HG1 ILE 79 1.752 -2.690 -23.188 603 2HG1 ILE 79 2HG1 ILE 79 0.567 -2.454 -24.456 604 1HG2 ILE 79 2HG2 ILE 79 4.183 -3.782 -24.513 605 2HG2 ILE 79 3HG2 ILE 79 3.153 -4.441 -25.806 606 3HG2 ILE 79 1HG2 ILE 79 4.358 -3.184 -26.180 607 1HD1 ILE 79 2HD1 ILE 79 1.161 -4.738 -25.372 608 2HD1 ILE 79 3HD1 ILE 79 2.221 -4.970 -23.961 609 3HD1 ILE 79 1HD1 ILE 79 0.465 -4.779 -23.734 610 H ILE 80 H ILE 80 5.230 -0.950 -22.935 611 HA ILE 80 HA ILE 80 7.194 -0.714 -25.103 612 HB ILE 80 HB ILE 80 8.535 0.172 -22.976 613 1HG1 ILE 80 1HG1 ILE 80 6.917 1.675 -21.695 614 2HG1 ILE 80 2HG1 ILE 80 5.624 0.669 -22.320 615 1HG2 ILE 80 1HG2 ILE 80 8.257 1.356 -25.084 616 2HG2 ILE 80 2HG2 ILE 80 6.594 1.805 -24.634 617 3HG2 ILE 80 3HG2 ILE 80 7.970 2.449 -23.708 618 1HD1 ILE 80 1HD1 ILE 80 8.029 -0.504 -20.862 619 2HD1 ILE 80 2HD1 ILE 80 6.545 0.005 -20.020 620 3HD1 ILE 80 3HD1 ILE 80 6.480 -1.299 -21.229 621 H GLY 81 H GLY 81 6.002 -2.669 -22.475 622 1HA GLY 81 2HA GLY 81 8.230 -4.002 -21.573 623 2HA GLY 81 1HA GLY 81 7.841 -4.761 -23.103 624 H GLU 82 H GLU 82 7.681 -6.030 -20.485 625 HA GLU 82 HA GLU 82 4.892 -6.075 -19.844 626 1HB GLU 82 1HB GLU 82 6.028 -8.768 -20.547 627 2HB GLU 82 2HB GLU 82 4.361 -8.227 -20.567 628 1HG GLU 82 1HG GLU 82 4.816 -6.837 -22.580 629 2HG GLU 82 2HG GLU 82 6.502 -7.314 -22.547 630 H LEU 83 H LEU 83 4.466 -7.491 -17.894 631 HA LEU 83 HA LEU 83 6.506 -7.105 -15.995 632 1HB LEU 83 1HB LEU 83 4.044 -7.079 -15.598 633 2HB LEU 83 2HB LEU 83 4.028 -8.820 -15.795 634 HG LEU 83 HG LEU 83 4.531 -9.106 -13.656 635 1HD1 LEU 83 1HD1 LEU 83 6.942 -7.403 -14.284 636 2HD1 LEU 83 2HD1 LEU 83 6.650 -8.080 -12.665 637 3HD1 LEU 83 3HD1 LEU 83 6.843 -9.166 -14.062 638 1HD2 LEU 83 1HD2 LEU 83 3.870 -6.291 -13.820 639 2HD2 LEU 83 2HD2 LEU 83 3.447 -7.494 -12.579 640 3HD2 LEU 83 3HD2 LEU 83 4.990 -6.612 -12.475 641 H HIS 84 H HIS 84 8.250 -8.325 -15.503 642 HA HIS 84 HA HIS 84 8.720 -10.691 -16.980 643 1HB HIS 84 1HB HIS 84 10.239 -8.808 -15.565 644 2HB HIS 84 2HB HIS 84 10.465 -10.304 -14.682 645 HD1 HIS 84 HD1 HIS 84 9.900 -10.696 -18.345 646 HD2 HIS 84 HD2 HIS 84 13.154 -10.315 -15.726 647 HE1 HIS 84 HE1 HIS 84 11.968 -11.388 -19.669 648 HE2 HIS 84 HE2 HIS 84 13.942 -11.082 -18.025 649 HA PRO 85 HA PRO 85 7.604 -13.741 -14.093 650 1HB PRO 85 1HB PRO 85 9.778 -15.330 -13.626 651 2HB PRO 85 2HB PRO 85 8.811 -15.432 -15.084 652 1HG PRO 85 1HG PRO 85 11.493 -14.245 -14.720 653 2HG PRO 85 2HG PRO 85 10.703 -14.736 -16.204 654 1HD PRO 85 1HD PRO 85 11.019 -12.056 -15.235 655 2HD PRO 85 2HD PRO 85 10.129 -12.558 -16.659 656 H ASP 86 H ASP 86 9.204 -11.243 -13.045 657 HA ASP 86 HA ASP 86 10.040 -12.195 -10.525 658 1HB ASP 86 1HB ASP 86 11.149 -10.226 -10.978 659 2HB ASP 86 2HB ASP 86 9.838 -9.596 -11.957 660 H ASP 87 H ASP 87 7.050 -10.989 -12.000 661 HA ASP 87 HA ASP 87 5.554 -11.755 -9.760 662 1HB ASP 87 1HB ASP 87 5.919 -8.779 -10.308 663 2HB ASP 87 2HB ASP 87 4.520 -9.394 -9.452 664 H ARG 88 H ARG 88 4.946 -12.888 -11.928 665 HA ARG 88 HA ARG 88 3.592 -11.248 -13.814 666 1HB ARG 88 1HB ARG 88 3.674 -14.300 -13.603 667 2HB ARG 88 2HB ARG 88 3.184 -13.382 -15.013 668 1HG ARG 88 1HG ARG 88 5.909 -12.824 -13.848 669 2HG ARG 88 2HG ARG 88 5.693 -14.319 -14.736 670 1HD ARG 88 1HD ARG 88 4.950 -11.566 -15.840 671 2HD ARG 88 2HD ARG 88 6.475 -12.366 -16.162 672 HE ARG 88 HE ARG 88 4.102 -13.997 -16.777 673 1HH1 ARG 88 2HH1 ARG 88 3.767 -14.569 -18.964 674 2HH1 ARG 88 1HH1 ARG 88 4.663 -13.772 -20.215 675 1HH2 ARG 88 2HH2 ARG 88 6.456 -11.691 -18.010 676 2HH2 ARG 88 1HH2 ARG 88 6.204 -12.124 -19.667 677 H SER 89 H SER 89 2.493 -14.302 -12.164 678 HA SER 89 HA SER 89 -0.186 -13.659 -12.427 679 1HB SER 89 1HB SER 89 -0.573 -15.555 -10.880 680 2HB SER 89 2HB SER 89 0.614 -15.961 -12.105 681 HG SER 89 HG SER 89 1.700 -14.841 -9.758 682 H LYS 90 H LYS 90 2.208 -12.323 -10.395 683 HA LYS 90 HA LYS 90 0.675 -11.935 -8.050 684 1HB LYS 90 1HB LYS 90 3.281 -10.976 -9.141 685 2HB LYS 90 2HB LYS 90 2.538 -10.011 -7.881 686 1HG LYS 90 1HG LYS 90 2.624 -12.997 -7.476 687 2HG LYS 90 2HG LYS 90 4.131 -12.117 -7.321 688 1HD LYS 90 1HD LYS 90 3.346 -10.820 -5.494 689 2HD LYS 90 2HD LYS 90 1.662 -11.099 -5.889 690 1HE LYS 90 1HE LYS 90 1.582 -13.047 -4.697 691 2HE LYS 90 2HE LYS 90 3.103 -13.618 -5.353 692 1HZ LYS 90 1HZ LYS 90 3.974 -11.701 -3.794 693 2HZ LYS 90 2HZ LYS 90 2.617 -12.083 -2.966 694 3HZ LYS 90 3HZ LYS 90 3.746 -13.227 -3.258 695 H ILE 91 H ILE 91 0.682 -10.507 -11.228 696 HA ILE 91 HA ILE 91 -1.148 -8.453 -10.213 697 HB ILE 91 HB ILE 91 -0.175 -6.763 -11.397 698 1HG1 ILE 91 1HG1 ILE 91 1.365 -8.730 -13.113 699 2HG1 ILE 91 2HG1 ILE 91 -0.180 -8.033 -13.561 700 1HG2 ILE 91 3HG2 ILE 91 1.336 -7.810 -9.581 701 2HG2 ILE 91 1HG2 ILE 91 2.348 -8.341 -10.945 702 3HG2 ILE 91 2HG2 ILE 91 2.035 -6.607 -10.690 703 1HD1 ILE 91 1HD1 ILE 91 1.991 -6.138 -12.689 704 2HD1 ILE 91 2HD1 ILE 91 2.134 -6.894 -14.294 705 3HD1 ILE 91 3HD1 ILE 91 0.705 -5.908 -13.898 706 H THR 92 H THR 92 -0.024 -10.545 -12.915 707 HA THR 92 HA THR 92 -1.603 -10.176 -14.941 708 HB THR 92 HB THR 92 -0.217 -12.320 -13.965 709 HG1 THR 92 HG1 THR 92 -0.681 -11.874 -16.206 710 1HG2 THR 92 2HG2 THR 92 -3.171 -13.132 -14.062 711 2HG2 THR 92 3HG2 THR 92 -1.798 -14.265 -14.009 712 3HG2 THR 92 1HG2 THR 92 -2.129 -13.200 -12.621 713 H LYS 93 H LYS 93 -2.910 -11.596 -11.878 714 HA LYS 93 HA LYS 93 -5.403 -10.286 -12.380 715 1HB LYS 93 1HB LYS 93 -5.465 -12.386 -13.821 716 2HB LYS 93 2HB LYS 93 -5.453 -13.310 -12.332 717 1HG LYS 93 1HG LYS 93 -7.459 -11.731 -11.631 718 2HG LYS 93 2HG LYS 93 -7.579 -11.402 -13.349 719 1HD LYS 93 1HD LYS 93 -8.707 -13.344 -13.640 720 2HD LYS 93 2HD LYS 93 -7.302 -14.240 -13.095 721 1HE LYS 93 1HE LYS 93 -8.499 -14.874 -11.272 722 2HE LYS 93 2HE LYS 93 -8.428 -13.214 -10.713 723 1HZ LYS 93 3HZ LYS 93 -10.392 -13.317 -12.635 724 2HZ LYS 93 1HZ LYS 93 -10.632 -14.624 -11.685 725 3HZ LYS 93 2HZ LYS 93 -10.591 -13.132 -11.024 726 HA PRO 94 HA PRO 94 -4.979 -10.478 -8.061 727 1HB PRO 94 1HB PRO 94 -7.155 -8.963 -7.396 728 2HB PRO 94 2HB PRO 94 -5.604 -8.272 -7.831 729 1HG PRO 94 1HG PRO 94 -8.083 -8.415 -9.434 730 2HG PRO 94 2HG PRO 94 -6.686 -7.382 -9.662 731 1HD PRO 94 1HD PRO 94 -7.348 -9.732 -11.167 732 2HD PRO 94 2HD PRO 94 -5.893 -8.767 -11.317 733 H SER 95 H SER 95 -7.002 -10.490 -6.165 734 HA SER 95 HA SER 95 -8.353 -12.960 -6.928 735 1HB SER 95 1HB SER 95 -6.395 -12.590 -4.871 736 2HB SER 95 2HB SER 95 -7.932 -12.819 -4.061 737 HG SER 95 HG SER 95 -6.400 -14.638 -5.549 738 H GLU 96 H GLU 96 -10.290 -13.392 -5.318 739 HA GLU 96 HA GLU 96 -11.369 -10.936 -4.272 740 1HB GLU 96 1HB GLU 96 -12.124 -11.837 -6.842 741 2HB GLU 96 2HB GLU 96 -13.442 -12.332 -5.799 742 1HG GLU 96 1HG GLU 96 -13.612 -10.004 -4.903 743 2HG GLU 96 2HG GLU 96 -12.286 -9.507 -5.934 744 H SER 97 H SER 97 -13.718 -11.539 -3.279 745 HA SER 97 HA SER 97 -14.309 -14.115 -2.621 746 1HB SER 97 1HB SER 97 -11.953 -13.371 -1.285 747 2HB SER 97 2HB SER 97 -13.197 -13.144 -0.072 748 HG SER 97 HG SER 97 -13.886 -15.441 -1.055 749 H ILE 98 H ILE 98 -15.748 -14.134 -0.459 750 HA ILE 98 HA ILE 98 -16.689 -11.652 0.480 751 HB ILE 98 HB ILE 98 -17.562 -11.818 -1.951 752 1HG1 ILE 98 1HG1 ILE 98 -19.901 -11.270 -0.278 753 2HG1 ILE 98 2HG1 ILE 98 -18.439 -10.537 0.353 754 1HG2 ILE 98 2HG2 ILE 98 -18.355 -14.153 -1.758 755 2HG2 ILE 98 3HG2 ILE 98 -19.575 -13.618 -0.578 756 3HG2 ILE 98 1HG2 ILE 98 -19.635 -13.021 -2.253 757 1HD1 ILE 98 1HD1 ILE 98 -19.422 -10.266 -2.527 758 2HD1 ILE 98 2HD1 ILE 98 -19.606 -9.034 -1.255 759 3HD1 ILE 98 3HD1 ILE 98 -17.983 -9.477 -1.838 760 H ILE 99 H ILE 99 -18.813 -12.053 1.804 761 HA ILE 99 HA ILE 99 -19.551 -14.658 2.456 762 HB ILE 99 HB ILE 99 -17.097 -14.477 3.304 763 1HG1 ILE 99 1HG1 ILE 99 -18.076 -15.708 5.517 764 2HG1 ILE 99 2HG1 ILE 99 -19.504 -15.733 4.502 765 1HG2 ILE 99 2HG2 ILE 99 -17.897 -12.272 4.570 766 2HG2 ILE 99 3HG2 ILE 99 -18.291 -13.459 5.836 767 3HG2 ILE 99 1HG2 ILE 99 -16.628 -13.340 5.214 768 1HD1 ILE 99 3HD1 ILE 99 -17.370 -16.435 2.771 769 2HD1 ILE 99 1HD1 ILE 99 -17.075 -17.326 4.283 770 3HD1 ILE 99 2HD1 ILE 99 -18.622 -17.518 3.424 771 H THR 100 H THR 100 -21.447 -14.588 3.630 772 HA THR 100 HA THR 100 -22.091 -11.996 4.869 773 HB THR 100 HB THR 100 -23.139 -12.362 2.559 774 HG1 THR 100 HG1 THR 100 -25.220 -11.720 3.502 775 1HG2 THR 100 3HG2 THR 100 -24.602 -14.545 4.136 776 2HG2 THR 100 1HG2 THR 100 -25.157 -13.885 2.579 777 3HG2 THR 100 2HG2 THR 100 -23.624 -14.788 2.668 778 H THR 101 H THR 101 -24.142 -12.264 6.320 779 HA THR 101 HA THR 101 -24.333 -14.881 7.530 780 HB THR 101 HB THR 101 -22.260 -13.772 8.534 781 HG1 THR 101 HG1 THR 101 -23.452 -15.293 9.796 782 1HG2 THR 101 2HG2 THR 101 -24.412 -11.780 9.350 783 2HG2 THR 101 3HG2 THR 101 -23.014 -12.084 10.410 784 3HG2 THR 101 1HG2 THR 101 -22.763 -11.449 8.766 785 H ILE 102 H ILE 102 -25.970 -14.844 9.370 786 HA ILE 102 HA ILE 102 -27.855 -12.640 9.051 787 HB ILE 102 HB ILE 102 -28.357 -14.564 7.459 788 1HG1 ILE 102 1HG1 ILE 102 -30.745 -14.248 9.175 789 2HG1 ILE 102 2HG1 ILE 102 -29.954 -12.749 8.731 790 1HG2 ILE 102 1HG2 ILE 102 -27.857 -16.257 9.388 791 2HG2 ILE 102 2HG2 ILE 102 -29.557 -15.962 9.826 792 3HG2 ILE 102 3HG2 ILE 102 -29.152 -16.591 8.212 793 1HD1 ILE 102 3HD1 ILE 102 -30.573 -14.891 6.659 794 2HD1 ILE 102 1HD1 ILE 102 -31.757 -13.640 7.109 795 3HD1 ILE 102 2HD1 ILE 102 -30.198 -13.173 6.387 796 H ASP 103 H ASP 103 -29.786 -13.147 10.742 797 HA ASP 103 HA ASP 103 -28.541 -14.252 13.123 798 1HB ASP 103 1HB ASP 103 -29.013 -11.486 12.646 799 2HB ASP 103 2HB ASP 103 -30.293 -11.986 13.733 800 H SER 104 H SER 104 -30.419 -14.371 14.940 801 HA SER 104 HA SER 104 -33.020 -14.657 13.752 802 1HB SER 104 1HB SER 104 -31.662 -16.887 13.559 803 2HB SER 104 2HB SER 104 -31.886 -17.014 15.292 804 HG SER 104 HG SER 104 -33.582 -18.127 14.205 No H/Q in entry = 804 Start of MODEL 20 1 H ALA 1 H ALA 1 29.132 -2.943 -31.295 2 HA ALA 1 HA ALA 1 31.577 -1.370 -31.613 3 1HB ALA 1 1HB ALA 1 31.461 -3.569 -33.422 4 2HB ALA 1 3HB ALA 1 30.867 -4.156 -31.850 5 3HB ALA 1 2HB ALA 1 32.474 -3.398 -31.968 6 H GLU 2 H GLU 2 28.703 -2.630 -33.425 7 HA GLU 2 HA GLU 2 28.717 -0.243 -34.979 8 1HB GLU 2 1HB GLU 2 30.086 -2.536 -36.005 9 2HB GLU 2 2HB GLU 2 28.594 -2.400 -36.913 10 1HG GLU 2 1HG GLU 2 29.236 0.178 -37.048 11 2HG GLU 2 2HG GLU 2 30.849 -0.391 -36.665 12 H GLU 3 H GLU 3 26.795 -0.771 -33.250 13 HA GLU 3 HA GLU 3 24.523 -0.973 -34.763 14 1HB GLU 3 1HB GLU 3 25.600 -3.567 -34.127 15 2HB GLU 3 2HB GLU 3 24.128 -3.359 -33.202 16 1HG GLU 3 1HG GLU 3 22.837 -2.863 -35.211 17 2HG GLU 3 2HG GLU 3 24.288 -2.761 -36.187 18 H SER 4 H SER 4 22.497 -1.420 -33.166 19 HA SER 4 HA SER 4 23.040 -0.972 -30.439 20 1HB SER 4 1HB SER 4 22.975 1.357 -32.078 21 2HB SER 4 2HB SER 4 21.440 1.333 -31.232 22 HG SER 4 HG SER 4 23.187 2.435 -30.056 23 H SER 5 H SER 5 20.785 -0.382 -29.292 24 HA SER 5 HA SER 5 18.431 -0.792 -30.650 25 1HB SER 5 1HB SER 5 19.692 -3.168 -30.706 26 2HB SER 5 2HB SER 5 19.006 -3.309 -29.101 27 HG SER 5 HG SER 5 17.752 -3.950 -31.261 28 H LYS 6 H LYS 6 16.592 -1.438 -28.956 29 HA LYS 6 HA LYS 6 17.094 -1.352 -26.237 30 1HB LYS 6 1HB LYS 6 17.541 1.179 -27.411 31 2HB LYS 6 2HB LYS 6 15.990 1.296 -26.605 32 1HG LYS 6 1HG LYS 6 16.894 0.929 -24.489 33 2HG LYS 6 2HG LYS 6 18.180 -0.097 -25.093 34 1HD LYS 6 1HD LYS 6 19.345 1.896 -26.038 35 2HD LYS 6 2HD LYS 6 18.050 2.933 -25.473 36 1HE LYS 6 1HE LYS 6 19.138 3.131 -23.491 37 2HE LYS 6 2HE LYS 6 18.828 1.431 -23.191 38 1HZ LYS 6 2HZ LYS 6 20.935 1.568 -24.959 39 2HZ LYS 6 3HZ LYS 6 21.252 2.664 -23.789 40 3HZ LYS 6 1HZ LYS 6 20.978 1.103 -23.394 41 H ALA 7 H ALA 7 15.298 -2.237 -25.358 42 HA ALA 7 HA ALA 7 12.716 -1.356 -25.874 43 1HB ALA 7 2HB ALA 7 13.082 -4.035 -27.187 44 2HB ALA 7 3HB ALA 7 11.842 -2.789 -27.470 45 3HB ALA 7 1HB ALA 7 13.488 -2.569 -28.111 46 H VAL 8 H VAL 8 12.348 -1.564 -23.683 47 HA VAL 8 HA VAL 8 13.309 -3.339 -21.939 48 HB VAL 8 HB VAL 8 11.999 -1.749 -20.984 49 1HG1 VAL 8 2HG1 VAL 8 10.511 -1.924 -23.461 50 2HG1 VAL 8 3HG1 VAL 8 9.402 -1.828 -22.072 51 3HG1 VAL 8 1HG1 VAL 8 10.641 -0.573 -22.309 52 1HG2 VAL 8 1HG2 VAL 8 11.362 -4.080 -20.164 53 2HG2 VAL 8 2HG2 VAL 8 10.216 -2.768 -19.800 54 3HG2 VAL 8 3HG2 VAL 8 9.876 -3.903 -21.128 55 H LYS 9 H LYS 9 9.967 -3.910 -23.219 56 HA LYS 9 HA LYS 9 9.042 -5.753 -24.064 57 1HB LYS 9 1HB LYS 9 11.665 -6.185 -24.758 58 2HB LYS 9 2HB LYS 9 11.323 -7.601 -23.784 59 1HG LYS 9 1HG LYS 9 9.171 -7.891 -25.171 60 2HG LYS 9 2HG LYS 9 9.783 -6.641 -26.235 61 1HD LYS 9 1HD LYS 9 11.960 -8.109 -26.358 62 2HD LYS 9 2HD LYS 9 10.962 -9.390 -25.697 63 1HE LYS 9 1HE LYS 9 9.873 -9.717 -27.679 64 2HE LYS 9 2HE LYS 9 9.616 -8.001 -27.922 65 1HZ LYS 9 3HZ LYS 9 12.252 -9.209 -28.319 66 2HZ LYS 9 1HZ LYS 9 11.138 -9.183 -29.514 67 3HZ LYS 9 2HZ LYS 9 11.697 -7.782 -28.887 68 H TYR 10 H TYR 10 11.399 -6.453 -21.397 69 HA TYR 10 HA TYR 10 9.130 -7.541 -19.891 70 1HB TYR 10 1HB TYR 10 11.524 -8.920 -19.158 71 2HB TYR 10 2HB TYR 10 10.201 -9.597 -20.086 72 HD1 TYR 10 HD1 TYR 10 10.493 -10.198 -22.353 73 HD2 TYR 10 HD2 TYR 10 13.408 -7.726 -20.434 74 HE1 TYR 10 HE1 TYR 10 12.034 -10.446 -24.359 75 HE2 TYR 10 HE2 TYR 10 14.941 -7.983 -22.446 76 HH TYR 10 HH TYR 10 14.277 -10.279 -24.934 77 H TYR 11 H TYR 11 8.890 -6.377 -18.054 78 HA TYR 11 HA TYR 11 11.351 -5.357 -16.805 79 1HB TYR 11 1HB TYR 11 8.834 -4.120 -17.783 80 2HB TYR 11 2HB TYR 11 9.065 -3.788 -16.078 81 HD1 TYR 11 HD1 TYR 11 9.317 -1.390 -16.483 82 HD2 TYR 11 HD2 TYR 11 11.974 -4.215 -18.287 83 HE1 TYR 11 HE1 TYR 11 10.927 0.489 -17.070 84 HE2 TYR 11 HE2 TYR 11 13.576 -2.329 -18.868 85 HH TYR 11 HH TYR 11 13.279 0.215 -19.294 86 H THR 12 H THR 12 10.991 -4.828 -14.406 87 HA THR 12 HA THR 12 9.328 -6.966 -13.258 88 HB THR 12 HB THR 12 10.982 -6.972 -11.441 89 HG1 THR 12 HG1 THR 12 12.808 -5.320 -11.887 90 1HG2 THR 12 3HG2 THR 12 11.735 -7.453 -14.182 91 2HG2 THR 12 1HG2 THR 12 13.092 -6.612 -13.393 92 3HG2 THR 12 2HG2 THR 12 12.475 -8.138 -12.716 93 H LEU 13 H LEU 13 8.223 -6.545 -11.222 94 HA LEU 13 HA LEU 13 6.601 -4.357 -11.335 95 1HB LEU 13 1HB LEU 13 7.245 -6.461 -9.421 96 2HB LEU 13 2HB LEU 13 6.733 -4.978 -8.639 97 HG LEU 13 HG LEU 13 5.176 -6.488 -10.758 98 1HD1 LEU 13 3HD1 LEU 13 5.441 -7.475 -8.377 99 2HD1 LEU 13 1HD1 LEU 13 4.345 -6.162 -7.885 100 3HD1 LEU 13 2HD1 LEU 13 3.816 -7.359 -9.092 101 1HD2 LEU 13 2HD2 LEU 13 4.529 -3.961 -9.224 102 2HD2 LEU 13 3HD2 LEU 13 4.663 -4.172 -10.986 103 3HD2 LEU 13 1HD2 LEU 13 3.319 -4.929 -10.100 104 H GLU 14 H GLU 14 9.819 -4.704 -9.793 105 HA GLU 14 HA GLU 14 9.685 -2.264 -8.437 106 1HB GLU 14 1HB GLU 14 11.472 -4.437 -8.618 107 2HB GLU 14 2HB GLU 14 12.400 -3.069 -9.196 108 1HG GLU 14 1HG GLU 14 10.866 -2.258 -6.862 109 2HG GLU 14 2HG GLU 14 11.749 -3.725 -6.487 110 H GLU 15 H GLU 15 11.150 -3.260 -11.601 111 HA GLU 15 HA GLU 15 12.319 -0.913 -12.266 112 1HB GLU 15 1HB GLU 15 10.868 -2.902 -14.065 113 2HB GLU 15 2HB GLU 15 11.923 -1.639 -14.665 114 1HG GLU 15 1HG GLU 15 13.054 -3.371 -12.493 115 2HG GLU 15 2HG GLU 15 12.792 -4.153 -14.040 116 H ILE 16 H ILE 16 8.858 -1.834 -12.447 117 HA ILE 16 HA ILE 16 8.167 0.602 -13.814 118 HB ILE 16 HB ILE 16 6.358 -1.447 -12.536 119 1HG1 ILE 16 1HG1 ILE 16 6.639 -1.699 -15.408 120 2HG1 ILE 16 2HG1 ILE 16 8.198 -1.883 -14.629 121 1HG2 ILE 16 3HG2 ILE 16 5.936 0.997 -14.071 122 2HG2 ILE 16 1HG2 ILE 16 5.153 -0.421 -14.810 123 3HG2 ILE 16 2HG2 ILE 16 4.788 0.020 -13.124 124 1HD1 ILE 16 3HD1 ILE 16 6.469 -3.335 -12.959 125 2HD1 ILE 16 1HD1 ILE 16 5.881 -3.688 -14.602 126 3HD1 ILE 16 2HD1 ILE 16 7.577 -4.019 -14.174 127 H GLN 17 H GLN 17 8.261 -0.699 -10.493 128 HA GLN 17 HA GLN 17 6.670 1.271 -9.353 129 1HB GLN 17 1HB GLN 17 7.754 -1.027 -8.447 130 2HB GLN 17 2HB GLN 17 8.940 0.079 -7.785 131 1HG GLN 17 1HG GLN 17 6.155 0.997 -7.374 132 2HG GLN 17 2HG GLN 17 6.478 -0.554 -6.625 133 1HE2 GLN 17 1HE2 GLN 17 6.240 2.474 -5.858 134 2HE2 GLN 17 2HE2 GLN 17 7.497 2.701 -4.688 135 H LYS 18 H LYS 18 10.139 1.124 -10.209 136 HA LYS 18 HA LYS 18 10.888 3.420 -8.747 137 1HB LYS 18 1HB LYS 18 12.212 2.172 -11.174 138 2HB LYS 18 2HB LYS 18 12.951 3.287 -10.043 139 1HG LYS 18 1HG LYS 18 11.692 0.796 -8.908 140 2HG LYS 18 2HG LYS 18 13.198 0.611 -9.786 141 1HD LYS 18 1HD LYS 18 12.827 2.630 -7.527 142 2HD LYS 18 2HD LYS 18 13.431 1.006 -7.265 143 1HE LYS 18 1HE LYS 18 14.778 2.614 -9.421 144 2HE LYS 18 2HE LYS 18 15.066 3.120 -7.768 145 1HZ LYS 18 1HZ LYS 18 15.346 0.317 -8.563 146 2HZ LYS 18 2HZ LYS 18 16.578 1.377 -8.728 147 3HZ LYS 18 3HZ LYS 18 15.965 1.063 -7.249 148 H HIS 19 H HIS 19 9.376 2.846 -11.906 149 HA HIS 19 HA HIS 19 9.699 5.671 -12.541 150 1HB HIS 19 1HB HIS 19 9.015 3.217 -14.144 151 2HB HIS 19 2HB HIS 19 8.582 4.806 -14.742 152 HD1 HIS 19 HD1 HIS 19 10.255 4.818 -16.692 153 HD2 HIS 19 HD2 HIS 19 12.050 4.208 -12.949 154 HE1 HIS 19 HE1 HIS 19 12.772 5.023 -17.062 155 HE2 HIS 19 HE2 HIS 19 13.818 4.695 -14.719 156 H ASN 20 H ASN 20 8.217 6.705 -11.182 157 HA ASN 20 HA ASN 20 5.472 6.187 -11.909 158 1HB ASN 20 1HB ASN 20 5.506 4.934 -9.876 159 2HB ASN 20 2HB ASN 20 6.630 6.035 -9.104 160 1HD2 ASN 20 1HD2 ASN 20 3.636 6.623 -10.927 161 2HD2 ASN 20 2HD2 ASN 20 2.770 7.450 -9.674 162 H ASN 21 H ASN 21 7.722 8.263 -12.288 163 HA ASN 21 HA ASN 21 6.478 10.495 -10.898 164 1HB ASN 21 1HB ASN 21 9.248 9.811 -11.665 165 2HB ASN 21 2HB ASN 21 8.813 11.420 -12.207 166 1HD2 ASN 21 1HD2 ASN 21 9.355 9.320 -9.509 167 2HD2 ASN 21 2HD2 ASN 21 9.333 10.506 -8.246 168 H SER 22 H SER 22 6.329 12.581 -12.264 169 HA SER 22 HA SER 22 4.966 12.077 -14.601 170 1HB SER 22 1HB SER 22 4.691 14.125 -13.237 171 2HB SER 22 2HB SER 22 6.312 14.645 -13.653 172 HG SER 22 HG SER 22 5.229 15.690 -15.208 173 H LYS 23 H LYS 23 8.357 12.108 -13.949 174 HA LYS 23 HA LYS 23 9.047 12.797 -16.691 175 1HB LYS 23 1HB LYS 23 10.441 12.731 -14.084 176 2HB LYS 23 2HB LYS 23 11.400 12.175 -15.442 177 1HG LYS 23 1HG LYS 23 9.817 14.629 -16.007 178 2HG LYS 23 2HG LYS 23 11.017 14.834 -14.748 179 1HD LYS 23 1HD LYS 23 12.790 13.967 -16.254 180 2HD LYS 23 2HD LYS 23 11.605 13.662 -17.509 181 1HE LYS 23 1HE LYS 23 11.761 15.806 -18.233 182 2HE LYS 23 2HE LYS 23 11.302 16.406 -16.651 183 1HZ LYS 23 2HZ LYS 23 13.802 15.716 -16.198 184 2HZ LYS 23 3HZ LYS 23 13.925 16.093 -17.782 185 3HZ LYS 23 1HZ LYS 23 13.374 17.204 -16.720 186 H SER 24 H SER 24 8.550 10.048 -14.546 187 HA SER 24 HA SER 24 9.146 8.347 -16.807 188 1HB SER 24 1HB SER 24 10.743 8.490 -14.371 189 2HB SER 24 2HB SER 24 10.031 6.897 -14.527 190 HG SER 24 HG SER 24 10.862 7.313 -16.952 191 H THR 25 H THR 25 6.723 8.414 -16.823 192 HA THR 25 HA THR 25 5.455 7.060 -14.570 193 HB THR 25 HB THR 25 3.930 7.965 -16.995 194 HG1 THR 25 HG1 THR 25 4.662 10.053 -16.729 195 1HG2 THR 25 2HG2 THR 25 3.674 8.026 -13.980 196 2HG2 THR 25 3HG2 THR 25 2.831 9.278 -14.924 197 3HG2 THR 25 1HG2 THR 25 2.464 7.558 -15.200 198 H TRP 26 H TRP 26 5.831 4.904 -14.577 199 HA TRP 26 HA TRP 26 5.181 3.531 -17.097 200 1HB TRP 26 1HB TRP 26 7.510 3.301 -15.317 201 2HB TRP 26 2HB TRP 26 6.762 1.769 -15.728 202 HD1 TRP 26 HD1 TRP 26 7.455 0.777 -18.060 203 HE1 TRP 26 HE1 TRP 26 8.754 1.563 -20.217 204 HE3 TRP 26 HE3 TRP 26 7.855 5.654 -16.680 205 HZ2 TRP 26 HZ2 TRP 26 9.780 4.081 -21.086 206 HZ3 TRP 26 HZ3 TRP 26 9.021 7.210 -18.240 207 HH2 TRP 26 HH2 TRP 26 9.965 6.494 -20.377 208 H LEU 27 H LEU 27 3.720 1.802 -16.914 209 HA LEU 27 HA LEU 27 2.965 0.948 -14.246 210 1HB LEU 27 1HB LEU 27 0.836 1.686 -14.239 211 2HB LEU 27 2HB LEU 27 1.583 2.998 -15.126 212 HG LEU 27 HG LEU 27 -0.342 2.587 -16.341 213 1HD1 LEU 27 2HD1 LEU 27 2.002 2.229 -17.594 214 2HD1 LEU 27 3HD1 LEU 27 1.242 0.660 -17.955 215 3HD1 LEU 27 1HD1 LEU 27 0.430 2.173 -18.427 216 1HD2 LEU 27 3HD2 LEU 27 -0.351 0.115 -15.075 217 2HD2 LEU 27 1HD2 LEU 27 -1.568 0.733 -16.220 218 3HD2 LEU 27 2HD2 LEU 27 -0.231 -0.287 -16.805 219 H ILE 28 H ILE 28 1.217 -0.898 -14.513 220 HA ILE 28 HA ILE 28 1.972 -2.434 -16.902 221 HB ILE 28 HB ILE 28 1.311 -3.778 -14.321 222 1HG1 ILE 28 1HG1 ILE 28 4.135 -2.906 -14.930 223 2HG1 ILE 28 2HG1 ILE 28 3.065 -1.918 -13.955 224 1HG2 ILE 28 3HG2 ILE 28 1.522 -5.094 -16.375 225 2HG2 ILE 28 1HG2 ILE 28 3.171 -4.467 -16.614 226 3HG2 ILE 28 2HG2 ILE 28 2.805 -5.495 -15.207 227 1HD1 ILE 28 2HD1 ILE 28 2.990 -4.739 -13.124 228 2HD1 ILE 28 3HD1 ILE 28 4.628 -4.050 -13.034 229 3HD1 ILE 28 1HD1 ILE 28 3.289 -3.280 -12.150 230 H LEU 29 H LEU 29 0.296 -3.021 -18.177 231 HA LEU 29 HA LEU 29 -2.355 -3.068 -16.915 232 1HB LEU 29 1HB LEU 29 -1.499 -1.151 -18.678 233 2HB LEU 29 2HB LEU 29 -2.258 -2.312 -19.751 234 HG LEU 29 HG LEU 29 -3.470 -0.579 -17.646 235 1HD1 LEU 29 3HD1 LEU 29 -3.476 -0.263 -20.228 236 2HD1 LEU 29 1HD1 LEU 29 -4.760 -1.493 -20.199 237 3HD1 LEU 29 2HD1 LEU 29 -4.966 0.029 -19.301 238 1HD2 LEU 29 1HD2 LEU 29 -4.178 -3.419 -18.047 239 2HD2 LEU 29 2HD2 LEU 29 -4.472 -2.337 -16.664 240 3HD2 LEU 29 3HD2 LEU 29 -5.540 -2.274 -18.087 241 H HIS 30 H HIS 30 -3.214 -5.067 -16.979 242 HA HIS 30 HA HIS 30 -3.652 -7.122 -17.602 243 1HB HIS 30 1HB HIS 30 -4.489 -5.932 -19.634 244 2HB HIS 30 2HB HIS 30 -2.943 -6.224 -20.409 245 HD1 HIS 30 HD1 HIS 30 -3.100 -9.250 -18.802 246 HD2 HIS 30 HD2 HIS 30 -5.510 -7.598 -21.811 247 HE1 HIS 30 HE1 HIS 30 -4.226 -11.217 -19.976 248 HE2 HIS 30 HE2 HIS 30 -5.736 -10.135 -21.780 249 H TYR 31 H TYR 31 -1.204 -6.801 -16.409 250 HA TYR 31 HA TYR 31 0.695 -7.888 -16.054 251 1HB TYR 31 1HB TYR 31 0.107 -10.094 -16.525 252 2HB TYR 31 2HB TYR 31 -0.952 -9.575 -17.820 253 HD1 TYR 31 HD1 TYR 31 -0.338 -9.863 -20.094 254 HD2 TYR 31 HD2 TYR 31 2.590 -10.400 -17.021 255 HE1 TYR 31 HE1 TYR 31 1.283 -10.832 -21.798 256 HE2 TYR 31 HE2 TYR 31 4.201 -11.368 -18.734 257 HH TYR 31 HH TYR 31 3.942 -12.574 -20.966 258 H LYS 32 H LYS 32 0.054 -6.021 -18.684 259 HA LYS 32 HA LYS 32 2.695 -6.450 -19.880 260 1HB LYS 32 1HB LYS 32 0.072 -5.466 -20.912 261 2HB LYS 32 2HB LYS 32 1.522 -4.754 -21.591 262 1HG LYS 32 1HG LYS 32 2.083 -6.665 -22.713 263 2HG LYS 32 2HG LYS 32 1.734 -7.689 -21.335 264 1HD LYS 32 1HD LYS 32 -0.410 -8.132 -22.035 265 2HD LYS 32 2HD LYS 32 -0.687 -6.484 -22.564 266 1HE LYS 32 1HE LYS 32 1.180 -7.303 -24.422 267 2HE LYS 32 2HE LYS 32 0.360 -8.818 -24.102 268 1HZ LYS 32 2HZ LYS 32 -1.448 -6.653 -24.392 269 2HZ LYS 32 3HZ LYS 32 -0.527 -6.861 -25.724 270 3HZ LYS 32 1HZ LYS 32 -1.429 -8.097 -25.155 271 H VAL 33 H VAL 33 3.923 -4.438 -20.481 272 HA VAL 33 HA VAL 33 3.532 -2.437 -18.367 273 HB VAL 33 HB VAL 33 6.051 -3.221 -19.845 274 1HG1 VAL 33 2HG1 VAL 33 5.815 -0.835 -18.936 275 2HG1 VAL 33 3HG1 VAL 33 5.848 -1.573 -17.316 276 3HG1 VAL 33 1HG1 VAL 33 7.238 -1.769 -18.412 277 1HG2 VAL 33 2HG2 VAL 33 4.751 -4.701 -17.903 278 2HG2 VAL 33 3HG2 VAL 33 6.482 -4.795 -18.304 279 3HG2 VAL 33 1HG2 VAL 33 5.935 -3.760 -16.964 280 H TYR 34 H TYR 34 3.226 -0.312 -18.930 281 HA TYR 34 HA TYR 34 3.610 0.354 -21.765 282 1HB TYR 34 1HB TYR 34 1.330 1.195 -19.873 283 2HB TYR 34 2HB TYR 34 1.419 1.558 -21.585 284 HD1 TYR 34 HD1 TYR 34 1.618 -1.523 -19.434 285 HD2 TYR 34 HD2 TYR 34 -0.019 0.337 -22.921 286 HE1 TYR 34 HE1 TYR 34 0.310 -3.640 -19.958 287 HE2 TYR 34 HE2 TYR 34 -1.321 -1.785 -23.434 288 HH TYR 34 HH TYR 34 -1.635 -4.301 -21.151 289 H ASP 35 H ASP 35 3.892 2.682 -22.176 290 HA ASP 35 HA ASP 35 5.304 3.857 -19.958 291 1HB ASP 35 1HB ASP 35 5.407 3.984 -22.882 292 2HB ASP 35 2HB ASP 35 5.352 5.601 -22.206 293 H LEU 36 H LEU 36 3.666 4.749 -18.587 294 HA LEU 36 HA LEU 36 1.357 6.001 -19.552 295 1HB LEU 36 1HB LEU 36 2.794 5.879 -16.929 296 2HB LEU 36 2HB LEU 36 1.472 7.011 -17.136 297 HG LEU 36 HG LEU 36 1.433 4.032 -17.005 298 1HD1 LEU 36 3HD1 LEU 36 0.371 6.265 -15.538 299 2HD1 LEU 36 1HD1 LEU 36 -0.955 5.202 -16.067 300 3HD1 LEU 36 2HD1 LEU 36 0.393 4.536 -15.114 301 1HD2 LEU 36 1HD2 LEU 36 -0.417 5.665 -18.739 302 2HD2 LEU 36 2HD2 LEU 36 0.463 4.169 -19.134 303 3HD2 LEU 36 3HD2 LEU 36 -0.920 4.119 -18.013 304 H THR 37 H THR 37 4.679 7.129 -18.952 305 HA THR 37 HA THR 37 4.292 9.841 -18.803 306 HB THR 37 HB THR 37 6.434 7.935 -19.634 307 HG1 THR 37 HG1 THR 37 7.477 9.659 -18.175 308 1HG2 THR 37 2HG2 THR 37 6.473 9.695 -21.497 309 2HG2 THR 37 3HG2 THR 37 6.677 10.928 -20.230 310 3HG2 THR 37 1HG2 THR 37 7.925 9.683 -20.469 311 H LYS 38 H LYS 38 3.997 7.700 -21.629 312 HA LYS 38 HA LYS 38 3.829 9.958 -23.416 313 1HB LYS 38 1HB LYS 38 4.696 7.417 -23.750 314 2HB LYS 38 2HB LYS 38 3.044 7.232 -24.307 315 1HG LYS 38 1HG LYS 38 3.610 8.193 -26.278 316 2HG LYS 38 2HG LYS 38 3.987 9.683 -25.436 317 1HD LYS 38 1HD LYS 38 6.037 7.473 -25.363 318 2HD LYS 38 2HD LYS 38 5.843 8.355 -26.864 319 1HE LYS 38 1HE LYS 38 6.736 10.299 -26.002 320 2HE LYS 38 2HE LYS 38 5.977 10.082 -24.438 321 1HZ LYS 38 1HZ LYS 38 8.203 8.388 -25.303 322 2HZ LYS 38 2HZ LYS 38 8.450 9.816 -24.550 323 3HZ LYS 38 3HZ LYS 38 7.643 8.620 -23.786 324 H PHE 39 H PHE 39 1.694 7.777 -21.590 325 HA PHE 39 HA PHE 39 -0.646 8.464 -23.034 326 1HB PHE 39 1HB PHE 39 0.274 6.872 -20.716 327 2HB PHE 39 2HB PHE 39 -1.240 7.672 -20.341 328 HD1 PHE 39 HD1 PHE 39 0.163 4.780 -21.670 329 HD2 PHE 39 HD2 PHE 39 -3.065 7.462 -22.288 330 HE1 PHE 39 HE1 PHE 39 -1.089 2.987 -22.903 331 HE2 PHE 39 HE2 PHE 39 -4.319 5.670 -23.522 332 HZ PHE 39 HZ PHE 39 -3.315 3.454 -23.814 333 H LEU 40 H LEU 40 1.278 10.065 -20.609 334 HA LEU 40 HA LEU 40 -0.515 11.409 -19.088 335 1HB LEU 40 1HB LEU 40 2.218 11.600 -19.760 336 2HB LEU 40 2HB LEU 40 1.552 13.209 -19.957 337 HG LEU 40 HG LEU 40 0.537 12.854 -17.594 338 1HD1 LEU 40 2HD1 LEU 40 1.240 10.349 -17.724 339 2HD1 LEU 40 3HD1 LEU 40 2.830 10.956 -17.205 340 3HD1 LEU 40 1HD1 LEU 40 1.396 11.237 -16.188 341 1HD2 LEU 40 2HD2 LEU 40 3.364 13.478 -18.338 342 2HD2 LEU 40 3HD2 LEU 40 2.093 14.527 -17.662 343 3HD2 LEU 40 1HD2 LEU 40 2.938 13.362 -16.613 344 H GLU 41 H GLU 41 0.267 11.903 -22.536 345 HA GLU 41 HA GLU 41 -1.218 14.325 -22.642 346 1HB GLU 41 1HB GLU 41 0.388 12.655 -24.512 347 2HB GLU 41 2HB GLU 41 -0.925 13.539 -25.266 348 1HG GLU 41 1HG GLU 41 -0.090 15.653 -24.161 349 2HG GLU 41 2HG GLU 41 1.263 14.748 -23.507 350 H GLU 42 H GLU 42 -1.824 10.864 -23.048 351 HA GLU 42 HA GLU 42 -4.250 11.267 -24.474 352 1HB GLU 42 1HB GLU 42 -2.554 9.032 -23.697 353 2HB GLU 42 2HB GLU 42 -4.227 8.667 -23.322 354 1HG GLU 42 1HG GLU 42 -3.135 9.562 -26.031 355 2HG GLU 42 2HG GLU 42 -3.713 7.958 -25.624 356 H HIS 43 H HIS 43 -5.954 9.365 -23.116 357 HA HIS 43 HA HIS 43 -7.352 9.145 -21.423 358 1HB HIS 43 1HB HIS 43 -5.025 10.144 -20.116 359 2HB HIS 43 2HB HIS 43 -6.403 10.982 -19.435 360 HD1 HIS 43 HD1 HIS 43 -7.338 9.816 -17.445 361 HD2 HIS 43 HD2 HIS 43 -5.712 7.120 -20.217 362 HE1 HIS 43 HE1 HIS 43 -7.627 7.492 -16.435 363 HE2 HIS 43 HE2 HIS 43 -6.660 5.873 -18.207 364 HA PRO 44 HA PRO 44 -10.002 12.542 -21.818 365 1HB PRO 44 1HB PRO 44 -11.623 12.421 -19.621 366 2HB PRO 44 2HB PRO 44 -11.820 11.380 -21.016 367 1HG PRO 44 1HG PRO 44 -10.707 10.723 -18.357 368 2HG PRO 44 2HG PRO 44 -11.301 9.636 -19.597 369 1HD PRO 44 1HD PRO 44 -8.558 10.180 -18.963 370 2HD PRO 44 2HD PRO 44 -9.152 9.185 -20.277 371 H GLY 45 H GLY 45 -7.618 13.532 -21.222 372 1HA GLY 45 2HA GLY 45 -8.316 15.984 -19.964 373 2HA GLY 45 1HA GLY 45 -6.730 15.479 -20.511 374 H GLY 46 H GLY 46 -5.832 13.470 -19.080 375 1HA GLY 46 2HA GLY 46 -6.458 12.949 -16.518 376 2HA GLY 46 1HA GLY 46 -5.694 14.521 -16.384 377 H GLU 47 H GLU 47 -3.691 14.084 -15.505 378 HA GLU 47 HA GLU 47 -2.056 12.239 -17.060 379 1HB GLU 47 1HB GLU 47 -1.362 14.730 -15.465 380 2HB GLU 47 2HB GLU 47 -0.131 13.570 -15.923 381 1HG GLU 47 1HG GLU 47 0.005 14.811 -17.843 382 2HG GLU 47 2HG GLU 47 -1.401 13.889 -18.335 383 H GLU 48 H GLU 48 -2.553 13.506 -13.686 384 HA GLU 48 HA GLU 48 -1.041 11.662 -12.392 385 1HB GLU 48 1HB GLU 48 -2.798 13.715 -11.683 386 2HB GLU 48 2HB GLU 48 -3.549 12.302 -10.970 387 1HG GLU 48 1HG GLU 48 -1.720 11.861 -9.559 388 2HG GLU 48 2HG GLU 48 -0.571 12.648 -10.623 389 H VAL 49 H VAL 49 -4.499 11.428 -13.421 390 HA VAL 49 HA VAL 49 -5.328 9.185 -12.228 391 HB VAL 49 HB VAL 49 -6.597 10.551 -13.821 392 1HG1 VAL 49 2HG1 VAL 49 -4.514 10.273 -15.534 393 2HG1 VAL 49 3HG1 VAL 49 -5.627 9.050 -16.190 394 3HG1 VAL 49 1HG1 VAL 49 -6.156 10.742 -16.036 395 1HG2 VAL 49 2HG2 VAL 49 -7.323 8.243 -13.152 396 2HG2 VAL 49 3HG2 VAL 49 -7.957 8.786 -14.723 397 3HG2 VAL 49 1HG2 VAL 49 -6.599 7.635 -14.661 398 H LEU 50 H LEU 50 -2.742 9.468 -14.630 399 HA LEU 50 HA LEU 50 -2.581 6.554 -14.789 400 1HB LEU 50 1HB LEU 50 -1.247 8.732 -16.402 401 2HB LEU 50 2HB LEU 50 -0.962 7.015 -16.612 402 HG LEU 50 HG LEU 50 -3.804 7.631 -16.733 403 1HD1 LEU 50 1HD1 LEU 50 -1.943 9.365 -18.260 404 2HD1 LEU 50 2HD1 LEU 50 -3.319 8.680 -19.156 405 3HD1 LEU 50 3HD1 LEU 50 -3.606 9.665 -17.702 406 1HD2 LEU 50 3HD2 LEU 50 -2.417 5.587 -17.539 407 2HD2 LEU 50 1HD2 LEU 50 -3.797 6.151 -18.511 408 3HD2 LEU 50 2HD2 LEU 50 -2.136 6.570 -18.995 409 H ARG 51 H ARG 51 -0.894 9.495 -13.655 410 HA ARG 51 HA ARG 51 1.502 8.202 -13.079 411 1HB ARG 51 1HB ARG 51 0.860 10.775 -13.197 412 2HB ARG 51 2HB ARG 51 0.483 10.588 -11.496 413 1HG ARG 51 1HG ARG 51 3.030 9.320 -11.965 414 2HG ARG 51 2HG ARG 51 3.074 10.894 -12.735 415 1HD ARG 51 1HD ARG 51 1.909 10.754 -9.959 416 2HD ARG 51 2HD ARG 51 3.644 10.562 -10.111 417 HE ARG 51 HE ARG 51 3.187 12.781 -11.665 418 1HH1 ARG 51 2HH1 ARG 51 3.132 14.947 -10.940 419 2HH1 ARG 51 1HH1 ARG 51 2.692 15.301 -9.302 420 1HH2 ARG 51 2HH2 ARG 51 2.204 11.933 -8.394 421 2HH2 ARG 51 1HH2 ARG 51 2.161 13.575 -7.844 422 H GLU 52 H GLU 52 -1.526 8.806 -11.228 423 HA GLU 52 HA GLU 52 -0.532 8.007 -8.758 424 1HB GLU 52 1HB GLU 52 -2.867 7.925 -8.064 425 2HB GLU 52 2HB GLU 52 -2.644 9.302 -9.126 426 1HG GLU 52 1HG GLU 52 -3.588 8.064 -11.028 427 2HG GLU 52 2HG GLU 52 -3.654 6.586 -10.090 428 H GLN 53 H GLN 53 -1.131 6.227 -11.634 429 HA GLN 53 HA GLN 53 -1.452 3.779 -10.089 430 1HB GLN 53 1HB GLN 53 -2.177 2.771 -12.287 431 2HB GLN 53 2HB GLN 53 -3.232 4.040 -11.703 432 1HG GLN 53 1HG GLN 53 -2.050 5.687 -13.190 433 2HG GLN 53 2HG GLN 53 -1.037 4.392 -13.798 434 1HE2 GLN 53 1HE2 GLN 53 -4.166 5.859 -13.790 435 2HE2 GLN 53 2HE2 GLN 53 -4.894 4.939 -15.066 436 H ALA 54 H ALA 54 0.727 5.682 -12.018 437 HA ALA 54 HA ALA 54 2.296 3.606 -13.091 438 1HB ALA 54 2HB ALA 54 2.629 6.556 -12.552 439 2HB ALA 54 3HB ALA 54 4.027 5.586 -13.075 440 3HB ALA 54 1HB ALA 54 2.579 5.690 -14.107 441 H GLY 55 H GLY 55 3.875 2.339 -12.198 442 1HA GLY 55 2HA GLY 55 4.650 2.970 -9.413 443 2HA GLY 55 1HA GLY 55 5.763 2.345 -10.613 444 H GLY 56 H GLY 56 3.148 0.769 -11.634 445 1HA GLY 56 2HA GLY 56 2.668 -1.141 -9.560 446 2HA GLY 56 1HA GLY 56 3.827 -1.733 -10.733 447 H ASP 57 H ASP 57 1.602 -3.205 -10.666 448 HA ASP 57 HA ASP 57 0.541 -2.814 -13.232 449 1HB ASP 57 1HB ASP 57 0.606 -5.068 -12.654 450 2HB ASP 57 2HB ASP 57 0.206 -4.762 -10.976 451 H ALA 58 H ALA 58 -1.109 -1.354 -13.699 452 HA ALA 58 HA ALA 58 -2.814 -0.465 -11.519 453 1HB ALA 58 1HB ALA 58 -1.595 1.065 -13.187 454 2HB ALA 58 2HB ALA 58 -2.786 0.513 -14.391 455 3HB ALA 58 3HB ALA 58 -3.329 1.376 -12.932 456 H THR 59 H THR 59 -2.756 -2.759 -14.112 457 HA THR 59 HA THR 59 -5.264 -2.816 -15.123 458 HB THR 59 HB THR 59 -3.076 -4.417 -15.241 459 HG1 THR 59 HG1 THR 59 -5.275 -4.198 -16.476 460 1HG2 THR 59 3HG2 THR 59 -3.832 -5.458 -12.947 461 2HG2 THR 59 1HG2 THR 59 -5.153 -6.190 -13.888 462 3HG2 THR 59 2HG2 THR 59 -3.460 -6.575 -14.283 463 H GLU 60 H GLU 60 -4.266 -3.909 -11.847 464 HA GLU 60 HA GLU 60 -6.591 -5.135 -11.143 465 1HB GLU 60 1HB GLU 60 -5.932 -4.366 -8.759 466 2HB GLU 60 2HB GLU 60 -4.774 -5.339 -9.645 467 1HG GLU 60 1HG GLU 60 -3.236 -3.692 -9.422 468 2HG GLU 60 2HG GLU 60 -4.246 -2.628 -10.381 469 H ASN 61 H ASN 61 -5.744 -1.633 -11.104 470 HA ASN 61 HA ASN 61 -8.285 -0.987 -9.967 471 1HB ASN 61 1HB ASN 61 -5.753 0.283 -10.170 472 2HB ASN 61 2HB ASN 61 -6.806 1.258 -11.178 473 1HD2 ASN 61 1HD2 ASN 61 -5.518 1.396 -8.369 474 2HD2 ASN 61 2HD2 ASN 61 -6.784 1.987 -7.345 475 H PHE 62 H PHE 62 -6.464 -0.547 -13.084 476 HA PHE 62 HA PHE 62 -8.406 0.840 -14.469 477 1HB PHE 62 1HB PHE 62 -6.457 0.703 -15.736 478 2HB PHE 62 2HB PHE 62 -5.952 -0.759 -14.913 479 HD1 PHE 62 HD1 PHE 62 -7.370 -2.919 -15.615 480 HD2 PHE 62 HD2 PHE 62 -6.885 0.560 -17.995 481 HE1 PHE 62 HE1 PHE 62 -7.885 -4.258 -17.676 482 HE2 PHE 62 HE2 PHE 62 -7.398 -0.777 -20.055 483 HZ PHE 62 HZ PHE 62 -7.893 -3.170 -19.871 484 H GLU 63 H GLU 63 -8.523 -2.374 -13.250 485 HA GLU 63 HA GLU 63 -10.178 -3.358 -15.367 486 1HB GLU 63 1HB GLU 63 -8.907 -4.455 -12.901 487 2HB GLU 63 2HB GLU 63 -10.422 -5.208 -13.358 488 1HG GLU 63 1HG GLU 63 -8.277 -4.748 -15.454 489 2HG GLU 63 2HG GLU 63 -8.149 -6.116 -14.365 490 H ASP 64 H ASP 64 -10.500 -1.999 -12.076 491 HA ASP 64 HA ASP 64 -13.180 -2.727 -11.754 492 1HB ASP 64 1HB ASP 64 -12.122 -2.141 -9.747 493 2HB ASP 64 2HB ASP 64 -11.261 -0.796 -10.469 494 H VAL 65 H VAL 65 -11.435 0.236 -12.905 495 HA VAL 65 HA VAL 65 -13.708 1.838 -13.227 496 HB VAL 65 HB VAL 65 -11.838 3.095 -13.225 497 1HG1 VAL 65 3HG1 VAL 65 -10.528 0.708 -14.477 498 2HG1 VAL 65 1HG1 VAL 65 -9.743 2.297 -14.636 499 3HG1 VAL 65 2HG1 VAL 65 -10.077 1.627 -13.021 500 1HG2 VAL 65 2HG2 VAL 65 -13.076 3.489 -15.399 501 2HG2 VAL 65 3HG2 VAL 65 -11.379 4.026 -15.371 502 3HG2 VAL 65 1HG2 VAL 65 -11.821 2.514 -16.200 503 H GLY 66 H GLY 66 -12.797 -1.037 -14.797 504 1HA GLY 66 2HA GLY 66 -14.914 -1.263 -16.460 505 2HA GLY 66 1HA GLY 66 -13.354 -2.003 -16.761 506 H HIS 67 H HIS 67 -11.611 -0.278 -17.636 507 HA HIS 67 HA HIS 67 -12.399 1.947 -19.015 508 1HB HIS 67 1HB HIS 67 -10.144 -0.013 -19.418 509 2HB HIS 67 2HB HIS 67 -10.338 1.373 -20.472 510 HD1 HIS 67 HD1 HIS 67 -9.114 0.378 -17.114 511 HD2 HIS 67 HD2 HIS 67 -10.035 3.935 -19.138 512 HE1 HIS 67 HE1 HIS 67 -8.063 2.265 -15.757 513 HE2 HIS 67 HE2 HIS 67 -8.614 4.421 -17.079 514 H SER 68 H SER 68 -11.888 1.880 -21.674 515 HA SER 68 HA SER 68 -14.029 0.153 -22.604 516 1HB SER 68 1HB SER 68 -14.512 1.760 -24.238 517 2HB SER 68 2HB SER 68 -13.984 2.759 -22.899 518 HG SER 68 HG SER 68 -12.763 3.560 -24.529 519 H THR 69 H THR 69 -13.738 -1.181 -24.492 520 HA THR 69 HA THR 69 -11.360 -2.488 -24.751 521 HB THR 69 HB THR 69 -13.733 -2.016 -26.602 522 HG1 THR 69 HG1 THR 69 -14.051 -3.408 -24.791 523 1HG2 THR 69 2HG2 THR 69 -11.477 -2.630 -27.850 524 2HG2 THR 69 3HG2 THR 69 -11.667 -4.201 -27.037 525 3HG2 THR 69 1HG2 THR 69 -12.924 -3.620 -28.155 526 H ASP 70 H ASP 70 -12.173 0.703 -25.942 527 HA ASP 70 HA ASP 70 -10.197 0.701 -27.957 528 1HB ASP 70 1HB ASP 70 -12.210 2.216 -27.909 529 2HB ASP 70 2HB ASP 70 -11.545 3.027 -26.505 530 H ALA 71 H ALA 71 -10.543 2.035 -24.593 531 HA ALA 71 HA ALA 71 -8.112 3.332 -24.425 532 1HB ALA 71 3HB ALA 71 -9.184 1.889 -22.030 533 2HB ALA 71 2HB ALA 71 -10.251 3.071 -22.826 534 3HB ALA 71 1HB ALA 71 -8.664 3.583 -22.205 535 H ARG 72 H ARG 72 -8.984 -0.117 -23.804 536 HA ARG 72 HA ARG 72 -6.485 -0.822 -22.844 537 1HB ARG 72 1HB ARG 72 -8.447 -2.615 -24.359 538 2HB ARG 72 2HB ARG 72 -7.228 -3.145 -23.218 539 1HG ARG 72 1HG ARG 72 -8.383 -1.802 -21.414 540 2HG ARG 72 2HG ARG 72 -9.636 -1.381 -22.565 541 1HD ARG 72 1HD ARG 72 -10.272 -3.336 -21.119 542 2HD ARG 72 2HD ARG 72 -10.282 -3.733 -22.825 543 HE ARG 72 HE ARG 72 -7.714 -4.274 -21.507 544 1HH1 ARG 72 2HH1 ARG 72 -7.049 -6.454 -21.351 545 2HH1 ARG 72 1HH1 ARG 72 -8.183 -7.730 -21.650 546 1HH2 ARG 72 2HH2 ARG 72 -10.882 -5.569 -22.326 547 2HH2 ARG 72 1HH2 ARG 72 -10.377 -7.222 -22.208 548 H GLU 73 H GLU 73 -7.978 -1.017 -26.146 549 HA GLU 73 HA GLU 73 -5.810 -2.241 -27.355 550 1HB GLU 73 1HB GLU 73 -8.334 -1.021 -28.150 551 2HB GLU 73 2HB GLU 73 -7.079 -0.597 -29.298 552 1HG GLU 73 1HG GLU 73 -6.481 -2.997 -29.563 553 2HG GLU 73 2HG GLU 73 -7.679 -3.445 -28.366 554 H LEU 74 H LEU 74 -6.635 1.219 -26.793 555 HA LEU 74 HA LEU 74 -4.638 2.318 -28.389 556 1HB LEU 74 1HB LEU 74 -5.570 4.202 -27.729 557 2HB LEU 74 2HB LEU 74 -6.697 3.226 -26.810 558 HG LEU 74 HG LEU 74 -4.791 3.374 -24.959 559 1HD1 LEU 74 1HD1 LEU 74 -3.913 5.260 -26.976 560 2HD1 LEU 74 2HD1 LEU 74 -4.222 6.072 -25.423 561 3HD1 LEU 74 3HD1 LEU 74 -3.092 4.699 -25.501 562 1HD2 LEU 74 1HD2 LEU 74 -7.241 4.730 -25.506 563 2HD2 LEU 74 2HD2 LEU 74 -6.484 4.371 -23.935 564 3HD2 LEU 74 3HD2 LEU 74 -6.107 5.892 -24.778 565 H SER 75 H SER 75 -4.628 1.117 -25.000 566 HA SER 75 HA SER 75 -2.132 2.091 -24.341 567 1HB SER 75 1HB SER 75 -2.634 -0.488 -23.091 568 2HB SER 75 2HB SER 75 -2.629 1.105 -22.366 569 HG SER 75 HG SER 75 -4.835 1.394 -23.044 570 H LYS 76 H LYS 76 -3.179 -0.705 -26.264 571 HA LYS 76 HA LYS 76 -0.854 -2.228 -26.114 572 1HB LYS 76 1HB LYS 76 -3.341 -2.280 -27.495 573 2HB LYS 76 2HB LYS 76 -2.083 -2.457 -28.700 574 1HG LYS 76 1HG LYS 76 -1.207 -4.420 -27.698 575 2HG LYS 76 2HG LYS 76 -1.905 -4.057 -26.133 576 1HD LYS 76 1HD LYS 76 -3.700 -5.337 -26.651 577 2HD LYS 76 2HD LYS 76 -4.104 -4.232 -27.949 578 1HE LYS 76 1HE LYS 76 -2.079 -5.634 -29.152 579 2HE LYS 76 2HE LYS 76 -2.691 -6.869 -28.071 580 1HZ LYS 76 1HZ LYS 76 -4.654 -5.357 -29.554 581 2HZ LYS 76 2HZ LYS 76 -3.744 -6.410 -30.409 582 3HZ LYS 76 3HZ LYS 76 -4.644 -6.940 -29.154 583 H THR 77 H THR 77 -1.393 0.909 -27.411 584 HA THR 77 HA THR 77 0.752 0.659 -29.368 585 HB THR 77 HB THR 77 -0.099 2.712 -30.207 586 HG1 THR 77 HG1 THR 77 -1.265 4.123 -28.691 587 1HG2 THR 77 2HG2 THR 77 -2.136 0.846 -29.205 588 2HG2 THR 77 3HG2 THR 77 -2.732 2.524 -29.173 589 3HG2 THR 77 1HG2 THR 77 -2.147 1.815 -30.698 590 H PHE 78 H PHE 78 0.167 1.744 -26.069 591 HA PHE 78 HA PHE 78 2.679 3.198 -26.054 592 1HB PHE 78 1HB PHE 78 0.436 2.599 -24.038 593 2HB PHE 78 2HB PHE 78 1.856 3.528 -23.599 594 HD1 PHE 78 HD1 PHE 78 1.756 5.829 -23.766 595 HD2 PHE 78 HD2 PHE 78 -0.846 3.499 -26.177 596 HE1 PHE 78 HE1 PHE 78 0.638 7.922 -24.583 597 HE2 PHE 78 HE2 PHE 78 -1.964 5.593 -26.993 598 HZ PHE 78 HZ PHE 78 -1.208 7.780 -26.186 599 H ILE 79 H ILE 79 1.650 -0.014 -25.735 600 HA ILE 79 HA ILE 79 2.957 -0.930 -23.491 601 HB ILE 79 HB ILE 79 2.028 -2.064 -26.062 602 1HG1 ILE 79 1HG1 ILE 79 1.500 -2.372 -23.140 603 2HG1 ILE 79 2HG1 ILE 79 0.379 -2.169 -24.472 604 1HG2 ILE 79 1HG2 ILE 79 4.256 -3.044 -25.939 605 2HG2 ILE 79 2HG2 ILE 79 3.953 -3.567 -24.264 606 3HG2 ILE 79 3HG2 ILE 79 3.007 -4.266 -25.602 607 1HD1 ILE 79 2HD1 ILE 79 0.950 -4.506 -25.254 608 2HD1 ILE 79 3HD1 ILE 79 1.952 -4.696 -23.794 609 3HD1 ILE 79 1HD1 ILE 79 0.195 -4.456 -23.642 610 H ILE 80 H ILE 80 5.042 -0.877 -22.863 611 HA ILE 80 HA ILE 80 7.038 -0.531 -24.984 612 HB ILE 80 HB ILE 80 8.453 0.353 -23.103 613 1HG1 ILE 80 1HG1 ILE 80 6.800 1.324 -21.237 614 2HG1 ILE 80 2HG1 ILE 80 5.909 -0.136 -21.618 615 1HG2 ILE 80 1HG2 ILE 80 6.442 1.585 -24.669 616 2HG2 ILE 80 2HG2 ILE 80 6.377 2.330 -23.055 617 3HG2 ILE 80 3HG2 ILE 80 7.904 2.318 -23.968 618 1HD1 ILE 80 2HD1 ILE 80 8.900 -0.213 -21.075 619 2HD1 ILE 80 3HD1 ILE 80 7.703 -0.298 -19.760 620 3HD1 ILE 80 1HD1 ILE 80 7.732 -1.556 -21.017 621 H GLY 81 H GLY 81 5.807 -2.612 -22.449 622 1HA GLY 81 2HA GLY 81 8.045 -4.069 -21.731 623 2HA GLY 81 1HA GLY 81 7.500 -4.749 -23.251 624 H GLU 82 H GLU 82 7.473 -6.075 -20.637 625 HA GLU 82 HA GLU 82 4.731 -6.021 -19.821 626 1HB GLU 82 1HB GLU 82 5.680 -8.758 -20.589 627 2HB GLU 82 2HB GLU 82 4.054 -8.104 -20.580 628 1HG GLU 82 1HG GLU 82 4.613 -6.715 -22.594 629 2HG GLU 82 2HG GLU 82 6.229 -7.392 -22.607 630 H LEU 83 H LEU 83 4.373 -7.347 -17.833 631 HA LEU 83 HA LEU 83 6.592 -7.141 -16.109 632 1HB LEU 83 1HB LEU 83 4.066 -6.959 -15.642 633 2HB LEU 83 2HB LEU 83 4.087 -8.709 -15.556 634 HG LEU 83 HG LEU 83 4.490 -8.420 -13.378 635 1HD1 LEU 83 1HD1 LEU 83 6.689 -9.192 -14.208 636 2HD1 LEU 83 2HD1 LEU 83 7.238 -7.499 -14.262 637 3HD1 LEU 83 3HD1 LEU 83 6.804 -8.245 -12.705 638 1HD2 LEU 83 3HD2 LEU 83 4.510 -5.686 -14.178 639 2HD2 LEU 83 1HD2 LEU 83 4.169 -6.381 -12.575 640 3HD2 LEU 83 2HD2 LEU 83 5.835 -5.935 -13.015 641 H HIS 84 H HIS 84 8.287 -8.490 -15.886 642 HA HIS 84 HA HIS 84 8.358 -10.920 -17.302 643 1HB HIS 84 1HB HIS 84 10.184 -9.182 -16.036 644 2HB HIS 84 2HB HIS 84 10.370 -10.726 -15.228 645 HD1 HIS 84 HD1 HIS 84 12.814 -10.409 -16.541 646 HD2 HIS 84 HD2 HIS 84 9.465 -11.445 -18.842 647 HE1 HIS 84 HE1 HIS 84 13.719 -11.365 -18.728 648 HE2 HIS 84 HE2 HIS 84 11.614 -12.034 -20.078 649 HA PRO 85 HA PRO 85 7.276 -13.816 -14.245 650 1HB PRO 85 1HB PRO 85 9.347 -15.570 -13.923 651 2HB PRO 85 2HB PRO 85 8.250 -15.623 -15.288 652 1HG PRO 85 1HG PRO 85 11.041 -14.655 -15.189 653 2HG PRO 85 2HG PRO 85 10.086 -15.110 -16.587 654 1HD PRO 85 1HD PRO 85 10.704 -12.445 -15.725 655 2HD PRO 85 2HD PRO 85 9.653 -12.901 -17.053 656 H ASP 86 H ASP 86 9.143 -11.433 -13.404 657 HA ASP 86 HA ASP 86 10.106 -12.409 -10.933 658 1HB ASP 86 1HB ASP 86 11.366 -10.571 -11.471 659 2HB ASP 86 2HB ASP 86 10.099 -9.872 -12.459 660 H ASP 87 H ASP 87 7.120 -11.028 -12.214 661 HA ASP 87 HA ASP 87 5.678 -11.619 -9.949 662 1HB ASP 87 1HB ASP 87 6.728 -8.801 -10.134 663 2HB ASP 87 2HB ASP 87 5.072 -9.003 -9.599 664 H ARG 88 H ARG 88 5.281 -12.187 -12.602 665 HA ARG 88 HA ARG 88 3.556 -10.146 -13.680 666 1HB ARG 88 1HB ARG 88 3.539 -11.617 -15.723 667 2HB ARG 88 2HB ARG 88 5.160 -11.169 -15.234 668 1HG ARG 88 1HG ARG 88 5.336 -13.372 -13.983 669 2HG ARG 88 2HG ARG 88 3.769 -13.818 -14.624 670 1HD ARG 88 1HD ARG 88 5.153 -13.012 -16.920 671 2HD ARG 88 2HD ARG 88 6.406 -13.785 -15.971 672 HE ARG 88 HE ARG 88 4.319 -15.138 -17.361 673 1HH1 ARG 88 2HH1 ARG 88 3.907 -17.358 -17.014 674 2HH1 ARG 88 1HH1 ARG 88 4.448 -18.122 -15.556 675 1HH2 ARG 88 2HH2 ARG 88 5.901 -15.206 -14.217 676 2HH2 ARG 88 1HH2 ARG 88 5.589 -16.889 -13.956 677 H SER 89 H SER 89 3.535 -13.645 -12.725 678 HA SER 89 HA SER 89 0.781 -13.920 -13.251 679 1HB SER 89 1HB SER 89 2.432 -15.808 -13.284 680 2HB SER 89 2HB SER 89 2.628 -15.652 -11.549 681 HG SER 89 HG SER 89 0.930 -17.236 -12.651 682 H LYS 90 H LYS 90 2.398 -12.148 -10.930 683 HA LYS 90 HA LYS 90 0.456 -12.751 -8.824 684 1HB LYS 90 1HB LYS 90 3.242 -12.239 -8.798 685 2HB LYS 90 2HB LYS 90 2.482 -10.839 -8.066 686 1HG LYS 90 1HG LYS 90 1.448 -13.540 -7.236 687 2HG LYS 90 2HG LYS 90 3.042 -13.092 -6.665 688 1HD LYS 90 1HD LYS 90 2.172 -11.047 -5.630 689 2HD LYS 90 2HD LYS 90 0.595 -11.295 -6.351 690 1HE LYS 90 1HE LYS 90 0.223 -12.161 -4.211 691 2HE LYS 90 2HE LYS 90 0.672 -13.621 -5.068 692 1HZ LYS 90 2HZ LYS 90 2.934 -13.290 -4.299 693 2HZ LYS 90 3HZ LYS 90 2.492 -11.952 -3.475 694 3HZ LYS 90 1HZ LYS 90 1.900 -13.412 -3.043 695 H ILE 91 H ILE 91 0.638 -10.911 -11.548 696 HA ILE 91 HA ILE 91 -1.002 -8.831 -10.307 697 HB ILE 91 HB ILE 91 0.124 -7.090 -11.239 698 1HG1 ILE 91 1HG1 ILE 91 1.386 -8.967 -13.259 699 2HG1 ILE 91 2HG1 ILE 91 0.016 -7.917 -13.554 700 1HG2 ILE 91 1HG2 ILE 91 2.192 -9.207 -10.633 701 2HG2 ILE 91 2HG2 ILE 91 2.615 -7.514 -10.985 702 3HG2 ILE 91 3HG2 ILE 91 1.593 -7.903 -9.580 703 1HD1 ILE 91 1HD1 ILE 91 2.107 -6.315 -12.382 704 2HD1 ILE 91 3HD1 ILE 91 1.413 -6.200 -14.017 705 3HD1 ILE 91 2HD1 ILE 91 2.805 -7.267 -13.713 706 H THR 92 H THR 92 0.031 -10.643 -13.243 707 HA THR 92 HA THR 92 -1.673 -9.802 -15.126 708 HB THR 92 HB THR 92 0.027 -11.799 -15.035 709 HG1 THR 92 HG1 THR 92 -1.255 -12.693 -16.861 710 1HG2 THR 92 1HG2 THR 92 -1.453 -13.080 -13.313 711 2HG2 THR 92 2HG2 THR 92 -2.575 -13.351 -14.667 712 3HG2 THR 92 3HG2 THR 92 -0.917 -13.995 -14.742 713 H LYS 93 H LYS 93 -3.793 -9.547 -15.481 714 HA LYS 93 HA LYS 93 -5.971 -9.571 -15.127 715 1HB LYS 93 1HB LYS 93 -5.137 -12.366 -14.726 716 2HB LYS 93 2HB LYS 93 -6.670 -11.972 -13.978 717 1HG LYS 93 1HG LYS 93 -7.377 -10.910 -16.199 718 2HG LYS 93 2HG LYS 93 -5.910 -11.559 -16.904 719 1HD LYS 93 1HD LYS 93 -6.676 -13.745 -16.852 720 2HD LYS 93 2HD LYS 93 -7.574 -13.513 -15.365 721 1HE LYS 93 1HE LYS 93 -9.360 -13.651 -16.841 722 2HE LYS 93 2HE LYS 93 -9.087 -11.921 -16.911 723 1HZ LYS 93 1HZ LYS 93 -7.419 -12.709 -18.766 724 2HZ LYS 93 2HZ LYS 93 -8.488 -13.938 -18.882 725 3HZ LYS 93 3HZ LYS 93 -8.990 -12.397 -19.086 726 HA PRO 94 HA PRO 94 -6.661 -8.320 -11.057 727 1HB PRO 94 1HB PRO 94 -9.390 -8.260 -10.918 728 2HB PRO 94 2HB PRO 94 -8.441 -6.997 -11.675 729 1HG PRO 94 1HG PRO 94 -10.061 -9.115 -12.950 730 2HG PRO 94 2HG PRO 94 -9.466 -7.620 -13.645 731 1HD PRO 94 1HD PRO 94 -8.402 -10.250 -14.066 732 2HD PRO 94 2HD PRO 94 -7.740 -8.743 -14.666 733 H SER 95 H SER 95 -9.531 -10.299 -11.165 734 HA SER 95 HA SER 95 -8.317 -12.437 -9.815 735 1HB SER 95 1HB SER 95 -8.493 -10.545 -8.028 736 2HB SER 95 2HB SER 95 -10.220 -10.838 -8.069 737 HG SER 95 HG SER 95 -8.874 -12.066 -6.429 738 H GLU 96 H GLU 96 -11.476 -10.612 -9.805 739 HA GLU 96 HA GLU 96 -12.724 -12.272 -11.589 740 1HB GLU 96 1HB GLU 96 -12.367 -13.670 -9.213 741 2HB GLU 96 2HB GLU 96 -13.987 -13.030 -9.019 742 1HG GLU 96 1HG GLU 96 -14.055 -13.903 -11.652 743 2HG GLU 96 2HG GLU 96 -12.978 -15.080 -10.925 744 H SER 97 H SER 97 -14.821 -11.470 -12.086 745 HA SER 97 HA SER 97 -15.336 -8.927 -10.939 746 1HB SER 97 1HB SER 97 -15.777 -10.044 -13.405 747 2HB SER 97 2HB SER 97 -17.382 -10.186 -12.714 748 HG SER 97 HG SER 97 -17.605 -8.137 -13.291 749 H ILE 98 H ILE 98 -17.595 -8.317 -10.138 750 HA ILE 98 HA ILE 98 -18.939 -10.583 -8.865 751 HB ILE 98 HB ILE 98 -17.991 -8.063 -7.504 752 1HG1 ILE 98 1HG1 ILE 98 -17.466 -10.899 -6.636 753 2HG1 ILE 98 2HG1 ILE 98 -16.464 -10.141 -7.858 754 1HG2 ILE 98 1HG2 ILE 98 -20.386 -8.795 -6.966 755 2HG2 ILE 98 2HG2 ILE 98 -19.646 -10.222 -6.203 756 3HG2 ILE 98 3HG2 ILE 98 -19.257 -8.590 -5.605 757 1HD1 ILE 98 1HD1 ILE 98 -16.927 -8.376 -5.538 758 2HD1 ILE 98 2HD1 ILE 98 -16.118 -9.900 -5.104 759 3HD1 ILE 98 3HD1 ILE 98 -15.400 -8.830 -6.331 760 H ILE 99 H ILE 99 -21.190 -10.373 -8.706 761 HA ILE 99 HA ILE 99 -22.296 -8.440 -10.508 762 HB ILE 99 HB ILE 99 -24.406 -9.598 -10.031 763 1HG1 ILE 99 1HG1 ILE 99 -23.554 -11.881 -8.612 764 2HG1 ILE 99 2HG1 ILE 99 -22.957 -10.511 -7.698 765 1HG2 ILE 99 1HG2 ILE 99 -22.310 -10.465 -11.520 766 2HG2 ILE 99 2HG2 ILE 99 -22.582 -11.878 -10.473 767 3HG2 ILE 99 3HG2 ILE 99 -23.909 -11.246 -11.477 768 1HD1 ILE 99 2HD1 ILE 99 -25.762 -10.287 -8.728 769 2HD1 ILE 99 3HD1 ILE 99 -25.477 -11.459 -7.421 770 3HD1 ILE 99 1HD1 ILE 99 -25.073 -9.744 -7.180 771 H THR 100 H THR 100 -24.633 -7.554 -9.546 772 HA THR 100 HA THR 100 -24.309 -6.544 -6.861 773 HB THR 100 HB THR 100 -24.133 -4.757 -9.340 774 HG1 THR 100 HG1 THR 100 -22.538 -5.107 -6.903 775 1HG2 THR 100 1HG2 THR 100 -24.453 -4.069 -6.372 776 2HG2 THR 100 2HG2 THR 100 -23.905 -2.910 -7.606 777 3HG2 THR 100 3HG2 THR 100 -25.546 -3.593 -7.694 778 H THR 101 H THR 101 -26.235 -5.176 -6.220 779 HA THR 101 HA THR 101 -28.578 -6.565 -7.091 780 HB THR 101 HB THR 101 -28.077 -5.832 -4.718 781 HG1 THR 101 HG1 THR 101 -30.341 -4.578 -6.106 782 1HG2 THR 101 3HG2 THR 101 -27.273 -3.444 -5.614 783 2HG2 THR 101 1HG2 THR 101 -29.013 -3.072 -5.548 784 3HG2 THR 101 2HG2 THR 101 -28.151 -3.564 -4.071 785 H ILE 102 H ILE 102 -30.461 -5.703 -8.081 786 HA ILE 102 HA ILE 102 -29.780 -3.551 -9.928 787 HB ILE 102 HB ILE 102 -31.615 -4.343 -11.255 788 1HG1 ILE 102 1HG1 ILE 102 -32.624 -6.650 -10.294 789 2HG1 ILE 102 2HG1 ILE 102 -32.342 -5.822 -8.775 790 1HG2 ILE 102 1HG2 ILE 102 -29.287 -5.564 -11.070 791 2HG2 ILE 102 2HG2 ILE 102 -30.286 -6.901 -10.456 792 3HG2 ILE 102 3HG2 ILE 102 -30.598 -6.225 -12.073 793 1HD1 ILE 102 1HD1 ILE 102 -33.535 -4.027 -10.778 794 2HD1 ILE 102 2HD1 ILE 102 -34.546 -5.458 -10.463 795 3HD1 ILE 102 3HD1 ILE 102 -34.071 -4.390 -9.120 796 H ASP 103 H ASP 103 -31.918 -2.202 -10.536 797 HA ASP 103 HA ASP 103 -33.562 -1.703 -8.272 798 1HB ASP 103 1HB ASP 103 -31.572 -0.384 -7.642 799 2HB ASP 103 2HB ASP 103 -31.537 0.377 -9.220 800 H SER 104 H SER 104 -35.073 0.304 -8.872 801 HA SER 104 HA SER 104 -35.237 0.572 -11.759 802 1HB SER 104 1HB SER 104 -37.055 -0.941 -10.126 803 2HB SER 104 2HB SER 104 -37.909 0.493 -10.665 804 HG SER 104 HG SER 104 -36.566 -1.471 -12.317 No H/Q in entry = 804 Start of MODEL 21 1 H ALA 1 H ALA 1 30.930 3.576 -37.077 2 HA ALA 1 HA ALA 1 32.110 2.399 -35.476 3 1HB ALA 1 2HB ALA 1 32.538 5.383 -35.073 4 2HB ALA 1 3HB ALA 1 33.623 4.132 -34.419 5 3HB ALA 1 1HB ALA 1 33.416 4.299 -36.179 6 H GLU 2 H GLU 2 29.656 2.016 -34.483 7 HA GLU 2 HA GLU 2 30.045 1.738 -31.817 8 1HB GLU 2 1HB GLU 2 29.364 4.463 -32.422 9 2HB GLU 2 2HB GLU 2 27.986 3.750 -31.608 10 1HG GLU 2 1HG GLU 2 30.122 2.775 -30.104 11 2HG GLU 2 2HG GLU 2 30.686 4.373 -30.549 12 H GLU 3 H GLU 3 27.719 1.429 -30.636 13 HA GLU 3 HA GLU 3 25.500 1.023 -32.218 14 1HB GLU 3 1HB GLU 3 27.457 -1.066 -32.508 15 2HB GLU 3 2HB GLU 3 26.100 -1.731 -31.622 16 1HG GLU 3 1HG GLU 3 24.607 -1.429 -33.388 17 2HG GLU 3 2HG GLU 3 25.451 -0.024 -34.011 18 H SER 4 H SER 4 23.682 0.425 -30.924 19 HA SER 4 HA SER 4 23.687 -0.931 -28.618 20 1HB SER 4 1HB SER 4 25.051 1.574 -28.212 21 2HB SER 4 2HB SER 4 23.529 1.652 -27.346 22 HG SER 4 HG SER 4 25.799 0.283 -26.689 23 H SER 5 H SER 5 21.518 -1.363 -28.438 24 HA SER 5 HA SER 5 19.626 0.641 -28.176 25 1HB SER 5 1HB SER 5 18.357 0.382 -30.284 26 2HB SER 5 2HB SER 5 19.962 1.018 -30.587 27 HG SER 5 HG SER 5 20.619 -1.254 -31.059 28 H LYS 6 H LYS 6 17.671 -0.266 -27.386 29 HA LYS 6 HA LYS 6 16.925 -2.931 -27.912 30 1HB LYS 6 1HB LYS 6 19.016 -2.975 -26.240 31 2HB LYS 6 2HB LYS 6 17.757 -2.691 -25.055 32 1HG LYS 6 1HG LYS 6 16.802 -4.770 -25.359 33 2HG LYS 6 2HG LYS 6 17.110 -4.780 -27.085 34 1HD LYS 6 1HD LYS 6 18.736 -6.305 -26.577 35 2HD LYS 6 2HD LYS 6 19.687 -4.905 -26.125 36 1HE LYS 6 1HE LYS 6 17.832 -6.250 -24.123 37 2HE LYS 6 2HE LYS 6 19.456 -6.850 -24.392 38 1HZ LYS 6 3HZ LYS 6 18.802 -4.088 -23.630 39 2HZ LYS 6 1HZ LYS 6 19.353 -5.237 -22.611 40 3HZ LYS 6 2HZ LYS 6 20.305 -4.693 -23.821 41 H ALA 7 H ALA 7 15.076 -3.567 -26.270 42 HA ALA 7 HA ALA 7 13.719 -1.107 -25.421 43 1HB ALA 7 2HB ALA 7 12.329 -3.433 -26.790 44 2HB ALA 7 3HB ALA 7 11.686 -1.808 -26.450 45 3HB ALA 7 1HB ALA 7 12.947 -2.026 -27.689 46 H VAL 8 H VAL 8 12.378 -1.341 -23.564 47 HA VAL 8 HA VAL 8 13.235 -2.885 -21.559 48 HB VAL 8 HB VAL 8 11.742 -1.349 -20.857 49 1HG1 VAL 8 2HG1 VAL 8 10.506 -1.804 -23.487 50 2HG1 VAL 8 3HG1 VAL 8 9.343 -1.399 -22.202 51 3HG1 VAL 8 1HG1 VAL 8 10.700 -0.300 -22.552 52 1HG2 VAL 8 2HG2 VAL 8 10.033 -3.835 -21.160 53 2HG2 VAL 8 3HG2 VAL 8 10.997 -3.338 -19.748 54 3HG2 VAL 8 1HG2 VAL 8 9.549 -2.410 -20.209 55 H LYS 9 H LYS 9 10.207 -3.773 -23.366 56 HA LYS 9 HA LYS 9 9.458 -5.740 -24.059 57 1HB LYS 9 1HB LYS 9 12.239 -6.085 -24.234 58 2HB LYS 9 2HB LYS 9 11.664 -7.511 -23.395 59 1HG LYS 9 1HG LYS 9 9.970 -7.898 -25.183 60 2HG LYS 9 2HG LYS 9 10.502 -6.450 -26.015 61 1HD LYS 9 1HD LYS 9 12.871 -7.537 -26.038 62 2HD LYS 9 2HD LYS 9 12.068 -9.024 -25.572 63 1HE LYS 9 1HE LYS 9 10.620 -8.898 -27.594 64 2HE LYS 9 2HE LYS 9 11.364 -7.378 -28.051 65 1HZ LYS 9 1HZ LYS 9 12.984 -9.777 -27.634 66 2HZ LYS 9 2HZ LYS 9 12.265 -9.483 -29.070 67 3HZ LYS 9 3HZ LYS 9 13.363 -8.430 -28.477 68 H TYR 10 H TYR 10 11.573 -6.301 -21.153 69 HA TYR 10 HA TYR 10 9.157 -7.183 -19.749 70 1HB TYR 10 1HB TYR 10 11.324 -8.743 -18.807 71 2HB TYR 10 2HB TYR 10 10.076 -9.318 -19.896 72 HD1 TYR 10 HD1 TYR 10 13.370 -7.533 -19.939 73 HD2 TYR 10 HD2 TYR 10 10.673 -10.132 -22.004 74 HE1 TYR 10 HE1 TYR 10 15.117 -7.923 -21.745 75 HE2 TYR 10 HE2 TYR 10 12.428 -10.513 -23.803 76 HH TYR 10 HH TYR 10 14.389 -9.997 -24.538 77 H TYR 11 H TYR 11 8.978 -6.346 -17.710 78 HA TYR 11 HA TYR 11 11.425 -5.272 -16.496 79 1HB TYR 11 1HB TYR 11 8.853 -3.999 -17.387 80 2HB TYR 11 2HB TYR 11 9.296 -3.589 -15.741 81 HD1 TYR 11 HD1 TYR 11 12.357 -3.664 -16.208 82 HD2 TYR 11 HD2 TYR 11 9.140 -1.824 -18.343 83 HE1 TYR 11 HE1 TYR 11 13.947 -1.884 -17.083 84 HE2 TYR 11 HE2 TYR 11 10.740 -0.049 -19.211 85 HH TYR 11 HH TYR 11 13.693 -0.268 -19.487 86 H THR 12 H THR 12 10.996 -4.704 -14.095 87 HA THR 12 HA THR 12 9.305 -6.842 -12.984 88 HB THR 12 HB THR 12 10.917 -6.860 -11.133 89 HG1 THR 12 HG1 THR 12 12.556 -5.173 -11.157 90 1HG2 THR 12 1HG2 THR 12 11.681 -7.925 -13.374 91 2HG2 THR 12 2HG2 THR 12 12.604 -6.426 -13.643 92 3HG2 THR 12 3HG2 THR 12 12.977 -7.464 -12.245 93 H LEU 13 H LEU 13 8.040 -6.429 -11.095 94 HA LEU 13 HA LEU 13 6.489 -4.212 -11.219 95 1HB LEU 13 1HB LEU 13 6.953 -6.393 -9.382 96 2HB LEU 13 2HB LEU 13 6.571 -4.924 -8.506 97 HG LEU 13 HG LEU 13 4.884 -6.191 -10.682 98 1HD1 LEU 13 2HD1 LEU 13 5.112 -6.808 -7.937 99 2HD1 LEU 13 3HD1 LEU 13 3.576 -5.932 -8.137 100 3HD1 LEU 13 1HD1 LEU 13 3.899 -7.393 -9.101 101 1HD2 LEU 13 2HD2 LEU 13 4.467 -3.662 -9.074 102 2HD2 LEU 13 3HD2 LEU 13 4.583 -3.833 -10.842 103 3HD2 LEU 13 1HD2 LEU 13 3.175 -4.492 -9.975 104 H GLU 14 H GLU 14 9.603 -4.639 -9.484 105 HA GLU 14 HA GLU 14 9.454 -2.229 -8.101 106 1HB GLU 14 1HB GLU 14 11.271 -4.405 -8.352 107 2HB GLU 14 2HB GLU 14 12.195 -2.971 -8.749 108 1HG GLU 14 1HG GLU 14 12.382 -2.585 -6.520 109 2HG GLU 14 2HG GLU 14 10.679 -2.170 -6.520 110 H GLU 15 H GLU 15 11.245 -3.126 -11.142 111 HA GLU 15 HA GLU 15 12.336 -0.741 -11.703 112 1HB GLU 15 1HB GLU 15 12.591 -2.889 -13.001 113 2HB GLU 15 2HB GLU 15 11.035 -2.590 -13.750 114 1HG GLU 15 1HG GLU 15 11.977 -1.192 -15.265 115 2HG GLU 15 2HG GLU 15 12.631 -0.185 -13.986 116 H ILE 16 H ILE 16 8.926 -1.749 -12.152 117 HA ILE 16 HA ILE 16 8.260 0.675 -13.542 118 HB ILE 16 HB ILE 16 6.394 -1.376 -12.362 119 1HG1 ILE 16 1HG1 ILE 16 7.041 -1.660 -15.210 120 2HG1 ILE 16 2HG1 ILE 16 8.414 -1.967 -14.164 121 1HG2 ILE 16 1HG2 ILE 16 6.091 1.004 -14.020 122 2HG2 ILE 16 2HG2 ILE 16 5.384 -0.449 -14.770 123 3HG2 ILE 16 3HG2 ILE 16 4.872 0.052 -13.140 124 1HD1 ILE 16 2HD1 ILE 16 6.246 -3.246 -12.875 125 2HD1 ILE 16 3HD1 ILE 16 6.034 -3.601 -14.606 126 3HD1 ILE 16 1HD1 ILE 16 7.557 -4.031 -13.789 127 H GLN 17 H GLN 17 8.191 -0.620 -10.218 128 HA GLN 17 HA GLN 17 6.484 1.300 -9.173 129 1HB GLN 17 1HB GLN 17 7.607 -0.956 -8.201 130 2HB GLN 17 2HB GLN 17 8.708 0.200 -7.477 131 1HG GLN 17 1HG GLN 17 5.857 0.985 -7.235 132 2HG GLN 17 2HG GLN 17 6.228 -0.533 -6.442 133 1HE2 GLN 17 1HE2 GLN 17 8.288 -0.535 -5.132 134 2HE2 GLN 17 2HE2 GLN 17 8.593 0.836 -4.118 135 H LYS 18 H LYS 18 9.746 1.504 -10.347 136 HA LYS 18 HA LYS 18 10.418 3.780 -8.699 137 1HB LYS 18 1HB LYS 18 11.910 2.472 -10.994 138 2HB LYS 18 2HB LYS 18 12.540 3.727 -9.945 139 1HG LYS 18 1HG LYS 18 12.230 2.235 -7.963 140 2HG LYS 18 2HG LYS 18 11.585 0.980 -9.004 141 1HD LYS 18 1HD LYS 18 13.714 0.237 -9.268 142 2HD LYS 18 2HD LYS 18 14.010 1.660 -10.247 143 1HE LYS 18 1HE LYS 18 14.139 2.138 -7.306 144 2HE LYS 18 2HE LYS 18 15.370 1.052 -7.920 145 1HZ LYS 18 3HZ LYS 18 15.188 3.161 -9.686 146 2HZ LYS 18 1HZ LYS 18 15.227 3.816 -8.190 147 3HZ LYS 18 2HZ LYS 18 16.421 2.813 -8.674 148 H HIS 19 H HIS 19 9.067 3.024 -11.887 149 HA HIS 19 HA HIS 19 9.436 5.741 -12.781 150 1HB HIS 19 1HB HIS 19 8.221 3.265 -14.015 151 2HB HIS 19 2HB HIS 19 8.103 4.838 -14.777 152 HD1 HIS 19 HD1 HIS 19 9.673 4.605 -16.733 153 HD2 HIS 19 HD2 HIS 19 11.401 3.339 -13.127 154 HE1 HIS 19 HE1 HIS 19 12.124 4.114 -17.249 155 HE2 HIS 19 HE2 HIS 19 13.146 3.392 -14.984 156 H ASN 20 H ASN 20 8.238 6.944 -11.214 157 HA ASN 20 HA ASN 20 5.367 6.587 -11.559 158 1HB ASN 20 1HB ASN 20 6.924 7.206 -8.999 159 2HB ASN 20 2HB ASN 20 5.201 7.492 -9.131 160 1HD2 ASN 20 1HD2 ASN 20 7.491 4.935 -10.104 161 2HD2 ASN 20 2HD2 ASN 20 6.610 3.594 -9.454 162 H ASN 21 H ASN 21 7.963 8.422 -12.330 163 HA ASN 21 HA ASN 21 6.785 10.959 -11.588 164 1HB ASN 21 1HB ASN 21 9.477 10.242 -12.865 165 2HB ASN 21 2HB ASN 21 8.970 11.888 -12.535 166 1HD2 ASN 21 1HD2 ASN 21 10.626 9.265 -11.389 167 2HD2 ASN 21 2HD2 ASN 21 10.704 9.635 -9.699 168 H SER 22 H SER 22 6.663 12.669 -13.380 169 HA SER 22 HA SER 22 5.305 11.661 -15.568 170 1HB SER 22 1HB SER 22 5.021 13.956 -14.631 171 2HB SER 22 2HB SER 22 6.616 14.393 -15.209 172 HG SER 22 HG SER 22 5.600 13.555 -17.401 173 H LYS 23 H LYS 23 8.705 12.004 -14.907 174 HA LYS 23 HA LYS 23 9.420 12.076 -17.716 175 1HB LYS 23 1HB LYS 23 10.649 12.860 -15.247 176 2HB LYS 23 2HB LYS 23 11.682 11.682 -16.028 177 1HG LYS 23 1HG LYS 23 10.487 13.880 -17.723 178 2HG LYS 23 2HG LYS 23 11.815 14.287 -16.654 179 1HD LYS 23 1HD LYS 23 13.357 13.023 -17.843 180 2HD LYS 23 2HD LYS 23 12.181 11.806 -18.294 181 1HE LYS 23 1HE LYS 23 11.609 12.891 -20.236 182 2HE LYS 23 2HE LYS 23 11.615 14.469 -19.475 183 1HZ LYS 23 2HZ LYS 23 14.130 13.069 -19.970 184 2HZ LYS 23 3HZ LYS 23 13.412 13.927 -21.160 185 3HZ LYS 23 1HZ LYS 23 13.873 14.670 -19.780 186 H SER 24 H SER 24 8.544 9.789 -15.321 187 HA SER 24 HA SER 24 9.352 7.695 -17.091 188 1HB SER 24 1HB SER 24 10.990 8.333 -14.833 189 2HB SER 24 2HB SER 24 10.145 6.851 -14.431 190 HG SER 24 HG SER 24 10.863 6.272 -16.811 191 H THR 25 H THR 25 6.885 7.926 -17.113 192 HA THR 25 HA THR 25 5.649 6.766 -14.719 193 HB THR 25 HB THR 25 3.996 7.727 -17.017 194 HG1 THR 25 HG1 THR 25 4.632 9.960 -16.401 195 1HG2 THR 25 2HG2 THR 25 4.016 7.809 -14.021 196 2HG2 THR 25 3HG2 THR 25 3.361 9.256 -14.824 197 3HG2 THR 25 1HG2 THR 25 2.637 7.660 -15.138 198 H TRP 26 H TRP 26 6.218 4.592 -14.875 199 HA TRP 26 HA TRP 26 5.213 3.258 -17.295 200 1HB TRP 26 1HB TRP 26 7.591 2.851 -15.585 201 2HB TRP 26 2HB TRP 26 6.753 1.393 -16.077 202 HD1 TRP 26 HD1 TRP 26 7.751 0.442 -18.285 203 HE1 TRP 26 HE1 TRP 26 8.910 1.323 -20.488 204 HE3 TRP 26 HE3 TRP 26 7.490 5.373 -17.074 205 HZ2 TRP 26 HZ2 TRP 26 9.572 3.926 -21.453 206 HZ3 TRP 26 HZ3 TRP 26 8.416 7.019 -18.701 207 HH2 TRP 26 HH2 TRP 26 9.430 6.365 -20.828 208 H LEU 27 H LEU 27 3.705 1.568 -17.031 209 HA LEU 27 HA LEU 27 3.021 0.793 -14.319 210 1HB LEU 27 1HB LEU 27 0.922 1.606 -14.253 211 2HB LEU 27 2HB LEU 27 1.685 2.875 -15.190 212 HG LEU 27 HG LEU 27 -0.311 2.501 -16.311 213 1HD1 LEU 27 3HD1 LEU 27 1.969 2.106 -17.656 214 2HD1 LEU 27 1HD1 LEU 27 1.183 0.541 -17.973 215 3HD1 LEU 27 2HD1 LEU 27 0.365 2.055 -18.427 216 1HD2 LEU 27 3HD2 LEU 27 -0.254 -0.020 -15.075 217 2HD2 LEU 27 1HD2 LEU 27 -1.566 0.690 -16.047 218 3HD2 LEU 27 2HD2 LEU 27 -0.341 -0.340 -16.824 219 H ILE 28 H ILE 28 1.271 -1.025 -14.444 220 HA ILE 28 HA ILE 28 1.844 -2.618 -16.846 221 HB ILE 28 HB ILE 28 1.295 -3.861 -14.181 222 1HG1 ILE 28 1HG1 ILE 28 4.138 -3.372 -14.964 223 2HG1 ILE 28 2HG1 ILE 28 3.255 -2.045 -14.236 224 1HG2 ILE 28 3HG2 ILE 28 1.288 -5.209 -16.264 225 2HG2 ILE 28 1HG2 ILE 28 2.987 -4.757 -16.528 226 3HG2 ILE 28 2HG2 ILE 28 2.533 -5.712 -15.097 227 1HD1 ILE 28 2HD1 ILE 28 2.854 -4.650 -12.863 228 2HD1 ILE 28 3HD1 ILE 28 4.524 -4.036 -12.818 229 3HD1 ILE 28 1HD1 ILE 28 3.194 -3.042 -12.178 230 H LEU 29 H LEU 29 0.089 -3.152 -18.032 231 HA LEU 29 HA LEU 29 -2.499 -3.066 -16.644 232 1HB LEU 29 1HB LEU 29 -1.599 -1.369 -18.668 233 2HB LEU 29 2HB LEU 29 -2.636 -2.519 -19.489 234 HG LEU 29 HG LEU 29 -3.310 -0.378 -17.564 235 1HD1 LEU 29 1HD1 LEU 29 -3.881 -0.266 -19.948 236 2HD1 LEU 29 2HD1 LEU 29 -4.878 -1.731 -19.778 237 3HD1 LEU 29 3HD1 LEU 29 -5.332 -0.241 -18.916 238 1HD2 LEU 29 3HD2 LEU 29 -4.459 -3.137 -17.321 239 2HD2 LEU 29 1HD2 LEU 29 -4.028 -1.964 -16.055 240 3HD2 LEU 29 2HD2 LEU 29 -5.493 -1.716 -17.035 241 H HIS 30 H HIS 30 -3.718 -4.892 -16.782 242 HA HIS 30 HA HIS 30 -4.408 -6.881 -17.412 243 1HB HIS 30 1HB HIS 30 -2.852 -6.472 -19.979 244 2HB HIS 30 2HB HIS 30 -4.088 -7.681 -19.698 245 HD1 HIS 30 HD1 HIS 30 -3.609 -4.097 -20.589 246 HD2 HIS 30 HD2 HIS 30 -6.774 -6.636 -19.524 247 HE1 HIS 30 HE1 HIS 30 -5.754 -2.857 -21.195 248 HE2 HIS 30 HE2 HIS 30 -7.663 -4.487 -20.568 249 H TYR 31 H TYR 31 -0.951 -6.374 -18.391 250 HA TYR 31 HA TYR 31 0.119 -8.001 -16.451 251 1HB TYR 31 1HB TYR 31 -0.278 -10.132 -17.288 252 2HB TYR 31 2HB TYR 31 -1.281 -9.418 -18.535 253 HD1 TYR 31 HD1 TYR 31 2.306 -10.170 -17.755 254 HD2 TYR 31 HD2 TYR 31 -0.671 -9.635 -20.782 255 HE1 TYR 31 HE1 TYR 31 3.965 -10.919 -19.530 256 HE2 TYR 31 HE2 TYR 31 1.000 -10.384 -22.547 257 HH TYR 31 HH TYR 31 4.341 -10.714 -21.841 258 H LYS 32 H LYS 32 0.161 -6.226 -19.400 259 HA LYS 32 HA LYS 32 3.045 -6.586 -19.701 260 1HB LYS 32 1HB LYS 32 0.976 -5.264 -21.482 261 2HB LYS 32 2HB LYS 32 2.694 -5.307 -21.821 262 1HG LYS 32 1HG LYS 32 2.540 -7.416 -22.641 263 2HG LYS 32 2HG LYS 32 1.815 -7.991 -21.152 264 1HD LYS 32 1HD LYS 32 -0.149 -8.241 -22.256 265 2HD LYS 32 2HD LYS 32 -0.233 -6.499 -22.434 266 1HE LYS 32 1HE LYS 32 1.196 -6.706 -24.529 267 2HE LYS 32 2HE LYS 32 1.099 -8.448 -24.373 268 1HZ LYS 32 1HZ LYS 32 -1.468 -7.437 -24.170 269 2HZ LYS 32 2HZ LYS 32 -0.778 -6.722 -25.466 270 3HZ LYS 32 3HZ LYS 32 -0.843 -8.352 -25.370 271 H VAL 33 H VAL 33 4.096 -4.301 -20.447 272 HA VAL 33 HA VAL 33 3.291 -2.392 -18.362 273 HB VAL 33 HB VAL 33 6.066 -2.923 -19.439 274 1HG1 VAL 33 3HG1 VAL 33 5.429 -0.603 -18.506 275 2HG1 VAL 33 1HG1 VAL 33 5.351 -1.413 -16.922 276 3HG1 VAL 33 2HG1 VAL 33 6.874 -1.402 -17.844 277 1HG2 VAL 33 1HG2 VAL 33 4.961 -4.794 -18.054 278 2HG2 VAL 33 2HG2 VAL 33 6.556 -4.205 -17.531 279 3HG2 VAL 33 3HG2 VAL 33 5.087 -3.670 -16.680 280 H TYR 34 H TYR 34 2.949 -0.280 -18.980 281 HA TYR 34 HA TYR 34 3.529 0.323 -21.801 282 1HB TYR 34 1HB TYR 34 1.243 1.291 -19.978 283 2HB TYR 34 2HB TYR 34 1.376 1.606 -21.698 284 HD1 TYR 34 HD1 TYR 34 0.074 0.319 -23.120 285 HD2 TYR 34 HD2 TYR 34 1.289 -1.346 -19.372 286 HE1 TYR 34 HE1 TYR 34 -1.284 -1.775 -23.602 287 HE2 TYR 34 HE2 TYR 34 -0.074 -3.434 -19.866 288 HH TYR 34 HH TYR 34 -1.697 -4.257 -21.157 289 H ASP 35 H ASP 35 3.959 2.595 -22.289 290 HA ASP 35 HA ASP 35 5.356 3.803 -20.091 291 1HB ASP 35 1HB ASP 35 6.143 3.564 -22.590 292 2HB ASP 35 2HB ASP 35 5.097 4.935 -22.900 293 H LEU 36 H LEU 36 3.577 4.630 -18.787 294 HA LEU 36 HA LEU 36 1.397 6.010 -19.835 295 1HB LEU 36 1HB LEU 36 2.702 5.925 -17.127 296 2HB LEU 36 2HB LEU 36 1.301 6.929 -17.442 297 HG LEU 36 HG LEU 36 1.520 3.950 -17.303 298 1HD1 LEU 36 3HD1 LEU 36 0.330 6.022 -15.774 299 2HD1 LEU 36 1HD1 LEU 36 -0.986 5.032 -16.448 300 3HD1 LEU 36 2HD1 LEU 36 0.298 4.266 -15.483 301 1HD2 LEU 36 1HD2 LEU 36 -0.338 5.459 -19.123 302 2HD2 LEU 36 2HD2 LEU 36 0.585 3.967 -19.424 303 3HD2 LEU 36 3HD2 LEU 36 -0.846 3.929 -18.366 304 H THR 37 H THR 37 4.718 7.013 -19.016 305 HA THR 37 HA THR 37 4.349 9.755 -18.903 306 HB THR 37 HB THR 37 6.514 7.791 -19.213 307 HG1 THR 37 HG1 THR 37 7.475 9.760 -18.025 308 1HG2 THR 37 2HG2 THR 37 6.897 9.071 -21.368 309 2HG2 THR 37 3HG2 THR 37 6.912 10.579 -20.421 310 3HG2 THR 37 1HG2 THR 37 8.175 9.352 -20.161 311 H LYS 38 H LYS 38 3.870 7.604 -21.573 312 HA LYS 38 HA LYS 38 4.162 9.808 -23.464 313 1HB LYS 38 1HB LYS 38 4.200 6.832 -23.651 314 2HB LYS 38 2HB LYS 38 3.555 7.710 -25.023 315 1HG LYS 38 1HG LYS 38 5.655 9.144 -25.016 316 2HG LYS 38 2HG LYS 38 6.301 8.122 -23.748 317 1HD LYS 38 1HD LYS 38 6.765 6.396 -25.191 318 2HD LYS 38 2HD LYS 38 5.269 6.600 -26.080 319 1HE LYS 38 1HE LYS 38 6.217 8.551 -27.289 320 2HE LYS 38 2HE LYS 38 7.695 8.439 -26.354 321 1HZ LYS 38 3HZ LYS 38 7.605 6.007 -27.277 322 2HZ LYS 38 1HZ LYS 38 6.750 6.720 -28.474 323 3HZ LYS 38 2HZ LYS 38 8.268 7.224 -28.141 324 H PHE 39 H PHE 39 1.803 7.744 -21.805 325 HA PHE 39 HA PHE 39 -0.328 8.857 -23.450 326 1HB PHE 39 1HB PHE 39 0.012 6.347 -22.735 327 2HB PHE 39 2HB PHE 39 -0.433 6.861 -21.120 328 HD1 PHE 39 HD1 PHE 39 -2.447 5.688 -20.828 329 HD2 PHE 39 HD2 PHE 39 -1.917 8.081 -24.290 330 HE1 PHE 39 HE1 PHE 39 -4.874 5.395 -21.400 331 HE2 PHE 39 HE2 PHE 39 -4.343 7.789 -24.865 332 HZ PHE 39 HZ PHE 39 -5.792 6.449 -23.412 333 H LEU 40 H LEU 40 1.418 10.072 -21.032 334 HA LEU 40 HA LEU 40 -0.381 10.554 -18.957 335 1HB LEU 40 1HB LEU 40 2.267 11.080 -19.517 336 2HB LEU 40 2HB LEU 40 1.555 12.681 -19.493 337 HG LEU 40 HG LEU 40 0.492 11.836 -17.221 338 1HD1 LEU 40 1HD1 LEU 40 2.797 9.951 -17.678 339 2HD1 LEU 40 2HD1 LEU 40 2.286 10.421 -16.039 340 3HD1 LEU 40 3HD1 LEU 40 1.141 9.597 -17.127 341 1HD2 LEU 40 1HD2 LEU 40 2.278 13.667 -17.780 342 2HD2 LEU 40 2HD2 LEU 40 2.054 13.106 -16.105 343 3HD2 LEU 40 3HD2 LEU 40 3.414 12.490 -17.076 344 H GLU 41 H GLU 41 0.648 12.836 -21.599 345 HA GLU 41 HA GLU 41 -1.062 14.810 -21.142 346 1HB GLU 41 1HB GLU 41 0.350 13.757 -23.475 347 2HB GLU 41 2HB GLU 41 -1.155 14.513 -23.956 348 1HG GLU 41 1HG GLU 41 -0.505 16.540 -22.553 349 2HG GLU 41 2HG GLU 41 1.051 15.787 -22.271 350 H GLU 42 H GLU 42 -1.857 12.186 -23.540 351 HA GLU 42 HA GLU 42 -4.467 12.855 -23.849 352 1HB GLU 42 1HB GLU 42 -2.779 10.493 -24.347 353 2HB GLU 42 2HB GLU 42 -4.451 10.059 -24.058 354 1HG GLU 42 1HG GLU 42 -4.898 12.126 -25.736 355 2HG GLU 42 2HG GLU 42 -3.277 11.729 -26.274 356 H HIS 43 H HIS 43 -6.178 10.760 -23.226 357 HA HIS 43 HA HIS 43 -7.318 9.754 -21.620 358 1HB HIS 43 1HB HIS 43 -5.061 9.086 -20.700 359 2HB HIS 43 2HB HIS 43 -5.138 10.485 -19.649 360 HD1 HIS 43 HD1 HIS 43 -7.628 10.505 -18.211 361 HD2 HIS 43 HD2 HIS 43 -5.974 6.854 -19.444 362 HE1 HIS 43 HE1 HIS 43 -8.684 8.709 -16.736 363 HE2 HIS 43 HE2 HIS 43 -7.669 6.482 -17.578 364 HA PRO 44 HA PRO 44 -9.413 13.265 -20.175 365 1HB PRO 44 1HB PRO 44 -11.593 12.051 -19.059 366 2HB PRO 44 2HB PRO 44 -11.450 12.376 -20.776 367 1HG PRO 44 1HG PRO 44 -11.173 9.803 -19.348 368 2HG PRO 44 2HG PRO 44 -11.456 10.086 -21.053 369 1HD PRO 44 1HD PRO 44 -8.976 9.329 -19.828 370 2HD PRO 44 2HD PRO 44 -9.233 9.724 -21.515 371 H GLY 45 H GLY 45 -9.452 10.610 -17.838 372 1HA GLY 45 2HA GLY 45 -8.631 10.610 -15.716 373 2HA GLY 45 1HA GLY 45 -9.842 11.861 -15.521 374 H GLY 46 H GLY 46 -6.669 11.833 -17.296 375 1HA GLY 46 2HA GLY 46 -5.812 14.069 -15.557 376 2HA GLY 46 1HA GLY 46 -5.574 14.068 -17.293 377 H GLU 47 H GLU 47 -3.244 14.250 -16.921 378 HA GLU 47 HA GLU 47 -1.826 12.066 -17.335 379 1HB GLU 47 1HB GLU 47 -1.108 14.590 -15.815 380 2HB GLU 47 2HB GLU 47 0.092 13.339 -16.068 381 1HG GLU 47 1HG GLU 47 0.362 13.894 -18.261 382 2HG GLU 47 2HG GLU 47 -1.367 13.916 -18.550 383 H GLU 48 H GLU 48 -2.682 13.362 -14.064 384 HA GLU 48 HA GLU 48 -1.251 11.611 -12.562 385 1HB GLU 48 1HB GLU 48 -3.166 13.586 -12.106 386 2HB GLU 48 2HB GLU 48 -3.947 12.149 -11.477 387 1HG GLU 48 1HG GLU 48 -2.361 11.841 -9.797 388 2HG GLU 48 2HG GLU 48 -1.058 12.532 -10.745 389 H VAL 49 H VAL 49 -4.549 11.200 -13.988 390 HA VAL 49 HA VAL 49 -5.343 8.888 -12.850 391 HB VAL 49 HB VAL 49 -6.391 10.388 -14.665 392 1HG1 VAL 49 3HG1 VAL 49 -4.369 9.347 -16.232 393 2HG1 VAL 49 1HG1 VAL 49 -5.780 8.375 -16.713 394 3HG1 VAL 49 2HG1 VAL 49 -5.841 10.150 -16.829 395 1HG2 VAL 49 1HG2 VAL 49 -7.037 7.909 -13.643 396 2HG2 VAL 49 2HG2 VAL 49 -8.096 8.922 -14.654 397 3HG2 VAL 49 3HG2 VAL 49 -7.117 7.635 -15.401 398 H LEU 50 H LEU 50 -2.573 9.398 -14.957 399 HA LEU 50 HA LEU 50 -2.247 6.492 -15.179 400 1HB LEU 50 1HB LEU 50 -0.772 8.617 -16.728 401 2HB LEU 50 2HB LEU 50 -0.832 6.894 -17.043 402 HG LEU 50 HG LEU 50 -3.507 7.679 -17.146 403 1HD1 LEU 50 2HD1 LEU 50 -2.303 10.051 -17.244 404 2HD1 LEU 50 3HD1 LEU 50 -2.154 9.614 -18.962 405 3HD1 LEU 50 1HD1 LEU 50 -3.759 9.679 -18.196 406 1HD2 LEU 50 2HD2 LEU 50 -1.432 7.085 -19.252 407 2HD2 LEU 50 3HD2 LEU 50 -2.709 6.027 -18.605 408 3HD2 LEU 50 1HD2 LEU 50 -3.136 7.395 -19.660 409 H ARG 51 H ARG 51 -0.684 9.580 -14.186 410 HA ARG 51 HA ARG 51 1.713 8.403 -13.442 411 1HB ARG 51 1HB ARG 51 0.912 10.956 -13.710 412 2HB ARG 51 2HB ARG 51 0.644 10.828 -11.983 413 1HG ARG 51 1HG ARG 51 3.244 9.689 -12.776 414 2HG ARG 51 2HG ARG 51 3.096 11.370 -13.250 415 1HD ARG 51 1HD ARG 51 2.054 11.427 -10.674 416 2HD ARG 51 2HD ARG 51 3.285 10.187 -10.528 417 HE ARG 51 HE ARG 51 4.498 12.303 -11.940 418 1HH1 ARG 51 2HH1 ARG 51 5.788 13.889 -10.919 419 2HH1 ARG 51 1HH1 ARG 51 5.589 14.209 -9.229 420 1HH2 ARG 51 2HH2 ARG 51 3.036 11.825 -8.775 421 2HH2 ARG 51 1HH2 ARG 51 4.013 13.028 -8.000 422 H GLU 52 H GLU 52 -1.311 9.204 -11.620 423 HA GLU 52 HA GLU 52 -0.371 8.520 -9.123 424 1HB GLU 52 1HB GLU 52 -2.869 9.259 -10.336 425 2HB GLU 52 2HB GLU 52 -3.171 7.848 -9.339 426 1HG GLU 52 1HG GLU 52 -1.567 10.214 -8.291 427 2HG GLU 52 2HG GLU 52 -3.317 10.189 -8.204 428 H GLN 53 H GLN 53 -1.135 6.545 -11.887 429 HA GLN 53 HA GLN 53 -1.417 4.205 -10.197 430 1HB GLN 53 1HB GLN 53 -2.129 3.049 -12.268 431 2HB GLN 53 2HB GLN 53 -3.097 4.479 -11.973 432 1HG GLN 53 1HG GLN 53 -1.841 5.765 -13.627 433 2HG GLN 53 2HG GLN 53 -0.650 4.492 -13.798 434 1HE2 GLN 53 1HE2 GLN 53 -3.822 5.611 -14.591 435 2HE2 GLN 53 2HE2 GLN 53 -4.242 4.407 -15.762 436 H ALA 54 H ALA 54 0.787 5.887 -12.378 437 HA ALA 54 HA ALA 54 2.408 3.812 -13.198 438 1HB ALA 54 3HB ALA 54 2.763 6.755 -12.674 439 2HB ALA 54 1HB ALA 54 4.189 5.763 -13.059 440 3HB ALA 54 2HB ALA 54 2.836 5.859 -14.211 441 H GLY 55 H GLY 55 3.888 2.496 -12.216 442 1HA GLY 55 2HA GLY 55 4.554 3.129 -9.402 443 2HA GLY 55 1HA GLY 55 5.690 2.435 -10.543 444 H GLY 56 H GLY 56 3.197 0.894 -11.734 445 1HA GLY 56 2HA GLY 56 2.507 -0.950 -9.627 446 2HA GLY 56 1HA GLY 56 3.674 -1.592 -10.766 447 H ASP 57 H ASP 57 1.428 -2.997 -10.792 448 HA ASP 57 HA ASP 57 0.454 -2.596 -13.374 449 1HB ASP 57 1HB ASP 57 0.347 -4.832 -12.763 450 2HB ASP 57 2HB ASP 57 -0.047 -4.469 -11.095 451 H ALA 58 H ALA 58 -1.285 -1.310 -14.031 452 HA ALA 58 HA ALA 58 -2.907 -0.106 -11.928 453 1HB ALA 58 1HB ALA 58 -1.623 0.986 -14.065 454 2HB ALA 58 2HB ALA 58 -3.228 0.690 -14.778 455 3HB ALA 58 3HB ALA 58 -3.074 1.698 -13.319 456 H THR 59 H THR 59 -2.932 -2.801 -13.977 457 HA THR 59 HA THR 59 -5.460 -2.856 -15.064 458 HB THR 59 HB THR 59 -3.279 -4.537 -14.896 459 HG1 THR 59 HG1 THR 59 -5.180 -6.057 -15.789 460 1HG2 THR 59 3HG2 THR 59 -5.605 -5.877 -13.418 461 2HG2 THR 59 1HG2 THR 59 -4.112 -6.676 -13.963 462 3HG2 THR 59 2HG2 THR 59 -4.046 -5.454 -12.672 463 H GLU 60 H GLU 60 -4.450 -3.824 -11.728 464 HA GLU 60 HA GLU 60 -6.824 -4.781 -10.875 465 1HB GLU 60 1HB GLU 60 -4.506 -3.410 -9.565 466 2HB GLU 60 2HB GLU 60 -5.967 -3.545 -8.607 467 1HG GLU 60 1HG GLU 60 -5.539 -5.732 -8.200 468 2HG GLU 60 2HG GLU 60 -5.542 -6.080 -9.916 469 H ASN 61 H ASN 61 -6.032 -1.506 -11.793 470 HA ASN 61 HA ASN 61 -8.334 -0.487 -10.369 471 1HB ASN 61 1HB ASN 61 -5.797 0.601 -11.153 472 2HB ASN 61 2HB ASN 61 -7.001 1.469 -12.086 473 1HD2 ASN 61 1HD2 ASN 61 -8.781 2.464 -10.975 474 2HD2 ASN 61 2HD2 ASN 61 -8.598 3.052 -9.357 475 H PHE 62 H PHE 62 -6.818 -0.397 -13.691 476 HA PHE 62 HA PHE 62 -8.841 0.711 -15.100 477 1HB PHE 62 1HB PHE 62 -7.193 0.166 -16.631 478 2HB PHE 62 2HB PHE 62 -6.484 -0.954 -15.487 479 HD1 PHE 62 HD1 PHE 62 -7.328 -3.331 -15.434 480 HD2 PHE 62 HD2 PHE 62 -8.393 -0.613 -18.513 481 HE1 PHE 62 HE1 PHE 62 -8.005 -5.255 -16.898 482 HE2 PHE 62 HE2 PHE 62 -9.070 -2.536 -19.977 483 HZ PHE 62 HZ PHE 62 -8.869 -4.834 -19.151 484 H GLU 63 H GLU 63 -8.820 -2.420 -13.515 485 HA GLU 63 HA GLU 63 -10.766 -3.603 -15.165 486 1HB GLU 63 1HB GLU 63 -9.425 -4.227 -12.566 487 2HB GLU 63 2HB GLU 63 -10.985 -4.984 -12.821 488 1HG GLU 63 1HG GLU 63 -8.920 -5.064 -15.036 489 2HG GLU 63 2HG GLU 63 -8.773 -6.170 -13.686 490 H ASP 64 H ASP 64 -10.833 -1.828 -12.017 491 HA ASP 64 HA ASP 64 -13.561 -2.201 -11.605 492 1HB ASP 64 1HB ASP 64 -11.424 -1.084 -10.208 493 2HB ASP 64 2HB ASP 64 -12.389 0.330 -10.583 494 H VAL 65 H VAL 65 -11.615 0.675 -12.734 495 HA VAL 65 HA VAL 65 -13.727 2.343 -13.312 496 HB VAL 65 HB VAL 65 -11.806 3.489 -13.416 497 1HG1 VAL 65 1HG1 VAL 65 -10.597 0.893 -14.314 498 2HG1 VAL 65 2HG1 VAL 65 -9.697 2.406 -14.577 499 3HG1 VAL 65 3HG1 VAL 65 -10.178 1.931 -12.929 500 1HG2 VAL 65 2HG2 VAL 65 -12.875 3.758 -15.663 501 2HG2 VAL 65 3HG2 VAL 65 -11.120 4.060 -15.658 502 3HG2 VAL 65 1HG2 VAL 65 -11.759 2.525 -16.295 503 H GLY 66 H GLY 66 -12.841 -0.651 -14.788 504 1HA GLY 66 2HA GLY 66 -15.024 -0.849 -16.426 505 2HA GLY 66 1HA GLY 66 -13.516 -1.713 -16.655 506 H HIS 67 H HIS 67 -11.665 -0.336 -17.711 507 HA HIS 67 HA HIS 67 -12.301 1.903 -19.223 508 1HB HIS 67 1HB HIS 67 -10.117 -0.169 -19.365 509 2HB HIS 67 2HB HIS 67 -10.221 1.107 -20.562 510 HD1 HIS 67 HD1 HIS 67 -9.206 0.431 -17.045 511 HD2 HIS 67 HD2 HIS 67 -9.799 3.768 -19.517 512 HE1 HIS 67 HE1 HIS 67 -8.108 2.404 -15.858 513 HE2 HIS 67 HE2 HIS 67 -8.457 4.414 -17.449 514 H SER 68 H SER 68 -11.778 1.666 -21.834 515 HA SER 68 HA SER 68 -13.875 -0.153 -22.705 516 1HB SER 68 1HB SER 68 -14.419 1.373 -24.397 517 2HB SER 68 2HB SER 68 -13.953 2.437 -23.085 518 HG SER 68 HG SER 68 -12.934 3.092 -25.056 519 H THR 69 H THR 69 -13.543 -1.383 -24.717 520 HA THR 69 HA THR 69 -11.104 -2.656 -24.878 521 HB THR 69 HB THR 69 -13.479 -2.307 -26.754 522 HG1 THR 69 HG1 THR 69 -12.201 -4.367 -25.098 523 1HG2 THR 69 1HG2 THR 69 -11.144 -2.888 -27.926 524 2HG2 THR 69 2HG2 THR 69 -11.384 -4.464 -27.135 525 3HG2 THR 69 3HG2 THR 69 -12.589 -3.859 -28.296 526 H ASP 70 H ASP 70 -12.052 0.471 -26.148 527 HA ASP 70 HA ASP 70 -10.073 0.524 -28.152 528 1HB ASP 70 1HB ASP 70 -12.141 1.968 -28.106 529 2HB ASP 70 2HB ASP 70 -11.491 2.821 -26.720 530 H ALA 71 H ALA 71 -10.439 1.778 -24.769 531 HA ALA 71 HA ALA 71 -8.067 3.205 -24.621 532 1HB ALA 71 1HB ALA 71 -9.031 1.724 -22.213 533 2HB ALA 71 3HB ALA 71 -10.191 2.816 -23.006 534 3HB ALA 71 2HB ALA 71 -8.635 3.447 -22.413 535 H ARG 72 H ARG 72 -8.792 -0.275 -23.957 536 HA ARG 72 HA ARG 72 -6.237 -0.862 -23.058 537 1HB ARG 72 1HB ARG 72 -8.138 -2.786 -24.481 538 2HB ARG 72 2HB ARG 72 -6.905 -3.206 -23.308 539 1HG ARG 72 1HG ARG 72 -8.130 -1.878 -21.562 540 2HG ARG 72 2HG ARG 72 -9.373 -1.498 -22.738 541 1HD ARG 72 1HD ARG 72 -8.773 -4.126 -21.389 542 2HD ARG 72 2HD ARG 72 -10.322 -3.364 -21.686 543 HE ARG 72 HE ARG 72 -10.349 -4.259 -23.887 544 1HH1 ARG 72 2HH1 ARG 72 -9.679 -5.793 -25.441 545 2HH1 ARG 72 1HH1 ARG 72 -8.144 -6.580 -25.276 546 1HH2 ARG 72 2HH2 ARG 72 -7.279 -4.912 -22.296 547 2HH2 ARG 72 1HH2 ARG 72 -6.770 -6.074 -23.474 548 H GLU 73 H GLU 73 -7.824 -1.105 -26.306 549 HA GLU 73 HA GLU 73 -5.721 -2.338 -27.593 550 1HB GLU 73 1HB GLU 73 -8.224 -1.014 -28.304 551 2HB GLU 73 2HB GLU 73 -6.981 -0.629 -29.479 552 1HG GLU 73 1HG GLU 73 -6.507 -3.022 -29.837 553 2HG GLU 73 2HG GLU 73 -7.611 -3.471 -28.552 554 H LEU 74 H LEU 74 -6.473 1.159 -27.078 555 HA LEU 74 HA LEU 74 -4.424 2.175 -28.658 556 1HB LEU 74 1HB LEU 74 -5.203 4.141 -27.984 557 2HB LEU 74 2HB LEU 74 -6.495 3.200 -27.266 558 HG LEU 74 HG LEU 74 -4.828 3.153 -25.186 559 1HD1 LEU 74 1HD1 LEU 74 -3.331 4.708 -26.868 560 2HD1 LEU 74 2HD1 LEU 74 -4.184 5.931 -25.896 561 3HD1 LEU 74 3HD1 LEU 74 -3.198 4.685 -25.093 562 1HD2 LEU 74 2HD2 LEU 74 -7.179 4.479 -25.854 563 2HD2 LEU 74 3HD2 LEU 74 -6.458 4.329 -24.233 564 3HD2 LEU 74 1HD2 LEU 74 -6.114 5.761 -25.232 565 H SER 75 H SER 75 -4.492 1.069 -25.234 566 HA SER 75 HA SER 75 -2.025 1.999 -24.509 567 1HB SER 75 1HB SER 75 -3.977 0.647 -23.238 568 2HB SER 75 2HB SER 75 -2.905 -0.709 -23.535 569 HG SER 75 HG SER 75 -2.670 0.711 -21.474 570 H LYS 76 H LYS 76 -2.974 -0.781 -26.514 571 HA LYS 76 HA LYS 76 -0.596 -2.231 -26.357 572 1HB LYS 76 1HB LYS 76 -1.641 -3.615 -27.779 573 2HB LYS 76 2HB LYS 76 -3.040 -2.598 -27.501 574 1HG LYS 76 1HG LYS 76 -2.292 -1.159 -29.470 575 2HG LYS 76 2HG LYS 76 -1.033 -2.335 -29.789 576 1HD LYS 76 1HD LYS 76 -2.896 -4.118 -29.892 577 2HD LYS 76 2HD LYS 76 -4.046 -2.796 -29.872 578 1HE LYS 76 1HE LYS 76 -2.845 -1.820 -31.906 579 2HE LYS 76 2HE LYS 76 -1.875 -3.279 -31.965 580 1HZ LYS 76 2HZ LYS 76 -4.175 -4.410 -31.923 581 2HZ LYS 76 3HZ LYS 76 -4.719 -2.970 -32.466 582 3HZ LYS 76 1HZ LYS 76 -3.603 -3.797 -33.323 583 H THR 77 H THR 77 -1.257 0.891 -27.652 584 HA THR 77 HA THR 77 0.919 0.735 -29.584 585 HB THR 77 HB THR 77 -1.439 1.912 -29.841 586 HG1 THR 77 HG1 THR 77 -0.269 3.327 -31.273 587 1HG2 THR 77 3HG2 THR 77 -0.457 3.397 -27.647 588 2HG2 THR 77 1HG2 THR 77 -0.123 4.428 -29.059 589 3HG2 THR 77 2HG2 THR 77 -1.785 3.884 -28.728 590 H PHE 78 H PHE 78 0.335 1.608 -26.261 591 HA PHE 78 HA PHE 78 2.784 3.197 -26.231 592 1HB PHE 78 1HB PHE 78 0.413 2.665 -24.364 593 2HB PHE 78 2HB PHE 78 1.859 3.437 -23.745 594 HD1 PHE 78 HD1 PHE 78 -1.100 3.851 -25.821 595 HD2 PHE 78 HD2 PHE 78 2.494 5.685 -24.506 596 HE1 PHE 78 HE1 PHE 78 -1.951 6.079 -26.603 597 HE2 PHE 78 HE2 PHE 78 1.643 7.912 -25.289 598 HZ PHE 78 HZ PHE 78 -0.570 8.083 -26.328 599 H ILE 79 H ILE 79 1.776 -0.018 -25.881 600 HA ILE 79 HA ILE 79 3.076 -0.856 -23.583 601 HB ILE 79 HB ILE 79 2.117 -2.087 -26.102 602 1HG1 ILE 79 1HG1 ILE 79 1.553 -2.194 -23.184 603 2HG1 ILE 79 2HG1 ILE 79 0.452 -2.134 -24.545 604 1HG2 ILE 79 2HG2 ILE 79 4.354 -3.078 -25.892 605 2HG2 ILE 79 3HG2 ILE 79 3.979 -3.565 -24.220 606 3HG2 ILE 79 1HG2 ILE 79 3.067 -4.268 -25.577 607 1HD1 ILE 79 3HD1 ILE 79 1.082 -4.522 -25.101 608 2HD1 ILE 79 1HD1 ILE 79 2.051 -4.558 -23.608 609 3HD1 ILE 79 2HD1 ILE 79 0.288 -4.338 -23.519 610 H ILE 80 H ILE 80 5.173 -0.845 -22.988 611 HA ILE 80 HA ILE 80 7.143 -0.599 -25.150 612 HB ILE 80 HB ILE 80 8.529 0.193 -23.033 613 1HG1 ILE 80 1HG1 ILE 80 7.002 1.653 -21.623 614 2HG1 ILE 80 2HG1 ILE 80 5.651 0.744 -22.274 615 1HG2 ILE 80 1HG2 ILE 80 8.162 1.451 -25.109 616 2HG2 ILE 80 2HG2 ILE 80 6.563 1.959 -24.516 617 3HG2 ILE 80 3HG2 ILE 80 8.036 2.491 -23.670 618 1HD1 ILE 80 3HD1 ILE 80 7.543 -1.217 -21.476 619 2HD1 ILE 80 1HD1 ILE 80 7.515 -0.009 -20.169 620 3HD1 ILE 80 2HD1 ILE 80 6.009 -0.813 -20.670 621 H GLY 81 H GLY 81 5.949 -2.517 -22.459 622 1HA GLY 81 2HA GLY 81 8.143 -3.970 -21.684 623 2HA GLY 81 1HA GLY 81 7.639 -4.705 -23.194 624 H GLU 82 H GLU 82 7.548 -5.950 -20.548 625 HA GLU 82 HA GLU 82 4.792 -5.866 -19.783 626 1HB GLU 82 1HB GLU 82 5.807 -8.599 -20.561 627 2HB GLU 82 2HB GLU 82 4.155 -8.031 -20.424 628 1HG GLU 82 1HG GLU 82 4.423 -6.650 -22.464 629 2HG GLU 82 2HG GLU 82 6.113 -7.097 -22.576 630 H LEU 83 H LEU 83 4.396 -7.325 -17.832 631 HA LEU 83 HA LEU 83 6.550 -7.008 -16.026 632 1HB LEU 83 1HB LEU 83 4.007 -6.925 -15.635 633 2HB LEU 83 2HB LEU 83 4.090 -8.673 -15.560 634 HG LEU 83 HG LEU 83 4.420 -8.395 -13.370 635 1HD1 LEU 83 3HD1 LEU 83 6.665 -9.079 -14.096 636 2HD1 LEU 83 1HD1 LEU 83 7.148 -7.369 -14.202 637 3HD1 LEU 83 2HD1 LEU 83 6.715 -8.075 -12.627 638 1HD2 LEU 83 1HD2 LEU 83 4.238 -5.689 -14.114 639 2HD2 LEU 83 2HD2 LEU 83 4.070 -6.391 -12.486 640 3HD2 LEU 83 3HD2 LEU 83 5.656 -5.811 -13.045 641 H HIS 84 H HIS 84 8.287 -8.293 -15.749 642 HA HIS 84 HA HIS 84 8.511 -10.701 -17.179 643 1HB HIS 84 1HB HIS 84 10.208 -8.913 -15.802 644 2HB HIS 84 2HB HIS 84 10.424 -10.468 -15.020 645 HD1 HIS 84 HD1 HIS 84 12.906 -10.015 -16.224 646 HD2 HIS 84 HD2 HIS 84 9.701 -11.148 -18.681 647 HE1 HIS 84 HE1 HIS 84 13.938 -10.887 -18.389 648 HE2 HIS 84 HE2 HIS 84 11.923 -11.618 -19.836 649 HA PRO 85 HA PRO 85 7.397 -13.675 -14.210 650 1HB PRO 85 1HB PRO 85 9.508 -15.372 -13.841 651 2HB PRO 85 2HB PRO 85 8.462 -15.433 -15.246 652 1HG PRO 85 1HG PRO 85 11.218 -14.385 -15.030 653 2HG PRO 85 2HG PRO 85 10.328 -14.845 -16.468 654 1HD PRO 85 1HD PRO 85 10.832 -12.177 -15.542 655 2HD PRO 85 2HD PRO 85 9.845 -12.641 -16.913 656 H ASP 86 H ASP 86 9.176 -11.256 -13.267 657 HA ASP 86 HA ASP 86 10.073 -12.245 -10.778 658 1HB ASP 86 1HB ASP 86 11.295 -10.361 -11.225 659 2HB ASP 86 2HB ASP 86 10.057 -9.692 -12.268 660 H ASP 87 H ASP 87 7.088 -10.957 -12.141 661 HA ASP 87 HA ASP 87 5.588 -11.617 -9.938 662 1HB ASP 87 1HB ASP 87 6.565 -8.771 -10.039 663 2HB ASP 87 2HB ASP 87 4.892 -9.021 -9.583 664 H ARG 88 H ARG 88 5.268 -12.181 -12.584 665 HA ARG 88 HA ARG 88 3.574 -10.164 -13.742 666 1HB ARG 88 1HB ARG 88 3.588 -11.708 -15.745 667 2HB ARG 88 2HB ARG 88 5.194 -11.219 -15.243 668 1HG ARG 88 1HG ARG 88 5.251 -13.401 -13.836 669 2HG ARG 88 2HG ARG 88 3.819 -13.887 -14.722 670 1HD ARG 88 1HD ARG 88 5.133 -13.465 -16.888 671 2HD ARG 88 2HD ARG 88 6.563 -13.240 -15.899 672 HE ARG 88 HE ARG 88 5.570 -15.667 -15.010 673 1HH1 ARG 88 2HH1 ARG 88 6.134 -17.709 -15.867 674 2HH1 ARG 88 1HH1 ARG 88 6.679 -17.838 -17.505 675 1HH2 ARG 88 2HH2 ARG 88 6.408 -14.393 -18.181 676 2HH2 ARG 88 1HH2 ARG 88 6.836 -15.939 -18.831 677 H SER 89 H SER 89 3.485 -13.683 -12.831 678 HA SER 89 HA SER 89 0.730 -13.890 -13.364 679 1HB SER 89 1HB SER 89 2.377 -15.800 -13.404 680 2HB SER 89 2HB SER 89 2.502 -15.694 -11.659 681 HG SER 89 HG SER 89 0.874 -17.265 -12.764 682 H LYS 90 H LYS 90 2.388 -12.216 -10.984 683 HA LYS 90 HA LYS 90 0.506 -12.859 -8.857 684 1HB LYS 90 1HB LYS 90 3.230 -11.764 -9.023 685 2HB LYS 90 2HB LYS 90 2.200 -10.904 -7.897 686 1HG LYS 90 1HG LYS 90 2.179 -13.929 -7.861 687 2HG LYS 90 2HG LYS 90 3.537 -13.090 -7.138 688 1HD LYS 90 1HD LYS 90 2.237 -12.138 -5.440 689 2HD LYS 90 2HD LYS 90 0.778 -12.126 -6.411 690 1HE LYS 90 1HE LYS 90 0.873 -14.731 -6.270 691 2HE LYS 90 2HE LYS 90 2.058 -14.501 -4.997 692 1HZ LYS 90 2HZ LYS 90 0.230 -12.881 -4.128 693 2HZ LYS 90 3HZ LYS 90 -0.762 -13.840 -5.002 694 3HZ LYS 90 1HZ LYS 90 0.154 -14.481 -3.811 695 H ILE 91 H ILE 91 0.621 -10.931 -11.594 696 HA ILE 91 HA ILE 91 -1.245 -9.046 -10.349 697 HB ILE 91 HB ILE 91 -0.268 -7.188 -11.262 698 1HG1 ILE 91 1HG1 ILE 91 1.339 -8.934 -13.152 699 2HG1 ILE 91 2HG1 ILE 91 -0.130 -8.073 -13.570 700 1HG2 ILE 91 2HG2 ILE 91 1.128 -8.139 -9.468 701 2HG2 ILE 91 3HG2 ILE 91 2.116 -8.970 -10.694 702 3HG2 ILE 91 1HG2 ILE 91 2.075 -7.191 -10.640 703 1HD1 ILE 91 2HD1 ILE 91 1.682 -6.218 -12.281 704 2HD1 ILE 91 3HD1 ILE 91 2.546 -7.071 -13.584 705 3HD1 ILE 91 1HD1 ILE 91 1.048 -6.179 -13.944 706 H THR 92 H THR 92 0.026 -10.649 -13.317 707 HA THR 92 HA THR 92 -1.601 -9.957 -15.263 708 HB THR 92 HB THR 92 0.084 -11.947 -15.028 709 HG1 THR 92 HG1 THR 92 -1.134 -12.926 -16.870 710 1HG2 THR 92 1HG2 THR 92 -1.357 -13.220 -13.337 711 2HG2 THR 92 2HG2 THR 92 -2.567 -13.426 -14.628 712 3HG2 THR 92 3HG2 THR 92 -0.951 -14.152 -14.799 713 H LYS 93 H LYS 93 -2.679 -12.040 -12.517 714 HA LYS 93 HA LYS 93 -5.390 -11.884 -13.553 715 1HB LYS 93 1HB LYS 93 -4.793 -14.059 -12.864 716 2HB LYS 93 2HB LYS 93 -4.035 -13.493 -11.389 717 1HG LYS 93 1HG LYS 93 -6.000 -13.621 -10.261 718 2HG LYS 93 2HG LYS 93 -6.794 -12.585 -11.432 719 1HD LYS 93 1HD LYS 93 -7.384 -14.454 -12.842 720 2HD LYS 93 2HD LYS 93 -6.293 -15.536 -11.999 721 1HE LYS 93 1HE LYS 93 -8.298 -14.268 -10.214 722 2HE LYS 93 2HE LYS 93 -9.016 -15.258 -11.470 723 1HZ LYS 93 2HZ LYS 93 -7.403 -17.004 -10.787 724 2HZ LYS 93 3HZ LYS 93 -7.018 -16.088 -9.491 725 3HZ LYS 93 1HZ LYS 93 -8.540 -16.652 -9.670 726 HA PRO 94 HA PRO 94 -6.157 -8.484 -10.949 727 1HB PRO 94 1HB PRO 94 -8.774 -8.088 -11.629 728 2HB PRO 94 2HB PRO 94 -7.434 -7.443 -12.558 729 1HG PRO 94 1HG PRO 94 -9.192 -9.736 -13.186 730 2HG PRO 94 2HG PRO 94 -8.152 -8.823 -14.261 731 1HD PRO 94 1HD PRO 94 -7.636 -11.428 -13.176 732 2HD PRO 94 2HD PRO 94 -6.548 -10.467 -14.156 733 H SER 95 H SER 95 -8.147 -7.748 -9.433 734 HA SER 95 HA SER 95 -8.723 -10.189 -7.942 735 1HB SER 95 1HB SER 95 -6.999 -8.632 -6.884 736 2HB SER 95 2HB SER 95 -8.264 -7.427 -6.738 737 HG SER 95 HG SER 95 -8.559 -8.403 -4.834 738 H GLU 96 H GLU 96 -10.584 -9.449 -6.150 739 HA GLU 96 HA GLU 96 -12.573 -8.009 -7.723 740 1HB GLU 96 1HB GLU 96 -12.707 -10.682 -7.254 741 2HB GLU 96 2HB GLU 96 -13.491 -10.112 -5.793 742 1HG GLU 96 1HG GLU 96 -14.629 -8.538 -7.848 743 2HG GLU 96 2HG GLU 96 -14.498 -10.135 -8.555 744 H SER 97 H SER 97 -14.581 -7.515 -6.054 745 HA SER 97 HA SER 97 -13.503 -6.776 -3.488 746 1HB SER 97 1HB SER 97 -13.616 -4.891 -5.589 747 2HB SER 97 2HB SER 97 -15.024 -4.533 -4.609 748 HG SER 97 HG SER 97 -13.114 -3.381 -3.886 749 H ILE 98 H ILE 98 -15.425 -5.673 -2.147 750 HA ILE 98 HA ILE 98 -17.875 -7.123 -2.873 751 HB ILE 98 HB ILE 98 -16.603 -7.981 -0.897 752 1HG1 ILE 98 1HG1 ILE 98 -19.287 -6.948 -0.010 753 2HG1 ILE 98 2HG1 ILE 98 -19.177 -8.071 -1.351 754 1HG2 ILE 98 1HG2 ILE 98 -16.913 -5.168 -0.068 755 2HG2 ILE 98 2HG2 ILE 98 -17.299 -6.374 1.184 756 3HG2 ILE 98 3HG2 ILE 98 -15.701 -6.385 0.398 757 1HD1 ILE 98 1HD1 ILE 98 -17.666 -8.700 1.189 758 2HD1 ILE 98 2HD1 ILE 98 -19.423 -8.979 1.130 759 3HD1 ILE 98 3HD1 ILE 98 -18.349 -9.814 -0.019 760 H ILE 99 H ILE 99 -19.900 -6.065 -1.876 761 HA ILE 99 HA ILE 99 -19.577 -3.148 -1.992 762 HB ILE 99 HB ILE 99 -20.642 -4.452 -4.002 763 1HG1 ILE 99 1HG1 ILE 99 -22.369 -2.172 -3.276 764 2HG1 ILE 99 2HG1 ILE 99 -20.653 -1.849 -3.132 765 1HG2 ILE 99 3HG2 ILE 99 -22.957 -4.275 -2.055 766 2HG2 ILE 99 1HG2 ILE 99 -23.108 -4.589 -3.801 767 3HG2 ILE 99 2HG2 ILE 99 -22.251 -5.750 -2.758 768 1HD1 ILE 99 1HD1 ILE 99 -21.195 -3.346 -5.582 769 2HD1 ILE 99 2HD1 ILE 99 -22.178 -1.863 -5.510 770 3HD1 ILE 99 3HD1 ILE 99 -20.405 -1.765 -5.382 771 H THR 100 H THR 100 -21.429 -1.975 -0.873 772 HA THR 100 HA THR 100 -22.416 -3.586 1.386 773 HB THR 100 HB THR 100 -20.405 -2.103 1.932 774 HG1 THR 100 HG1 THR 100 -21.667 -1.203 3.776 775 1HG2 THR 100 2HG2 THR 100 -21.829 -0.167 0.436 776 2HG2 THR 100 3HG2 THR 100 -22.092 0.298 2.133 777 3HG2 THR 100 1HG2 THR 100 -20.436 0.146 1.498 778 H THR 101 H THR 101 -24.206 -2.232 2.601 779 HA THR 101 HA THR 101 -25.824 -0.746 0.683 780 HB THR 101 HB THR 101 -26.604 -3.377 2.035 781 HG1 THR 101 HG1 THR 101 -25.847 -3.792 -0.034 782 1HG2 THR 101 1HG2 THR 101 -28.298 -1.218 0.696 783 2HG2 THR 101 2HG2 THR 101 -28.802 -2.925 0.721 784 3HG2 THR 101 3HG2 THR 101 -28.598 -2.035 2.248 785 H ILE 102 H ILE 102 -26.896 0.931 1.583 786 HA ILE 102 HA ILE 102 -27.227 0.884 4.485 787 HB ILE 102 HB ILE 102 -25.829 3.039 2.900 788 1HG1 ILE 102 1HG1 ILE 102 -24.473 1.071 3.619 789 2HG1 ILE 102 2HG1 ILE 102 -23.938 2.599 4.288 790 1HG2 ILE 102 1HG2 ILE 102 -27.280 3.155 5.492 791 2HG2 ILE 102 2HG2 ILE 102 -25.695 3.959 5.412 792 3HG2 ILE 102 3HG2 ILE 102 -26.985 4.420 4.274 793 1HD1 ILE 102 3HD1 ILE 102 -25.258 2.085 6.388 794 2HD1 ILE 102 1HD1 ILE 102 -25.614 0.480 5.707 795 3HD1 ILE 102 2HD1 ILE 102 -23.933 0.940 6.071 796 H ASP 103 H ASP 103 -29.034 2.074 5.234 797 HA ASP 103 HA ASP 103 -30.567 3.437 3.207 798 1HB ASP 103 1HB ASP 103 -31.252 0.924 3.436 799 2HB ASP 103 2HB ASP 103 -31.891 1.371 5.006 800 H SER 104 H SER 104 -30.151 5.380 4.457 801 HA SER 104 HA SER 104 -30.187 6.746 6.176 802 1HB SER 104 1HB SER 104 -32.376 7.374 6.811 803 2HB SER 104 2HB SER 104 -32.603 6.596 5.257 804 HG SER 104 HG SER 104 -33.659 5.911 7.684 No H/Q in entry = 804 Start of MODEL 22 1 H ALA 1 H ALA 1 33.227 2.226 -30.803 2 HA ALA 1 HA ALA 1 33.225 0.890 -32.635 3 1HB ALA 1 2HB ALA 1 32.710 -1.516 -32.498 4 2HB ALA 1 3HB ALA 1 33.945 -1.063 -31.299 5 3HB ALA 1 1HB ALA 1 32.263 -1.330 -30.785 6 H GLU 2 H GLU 2 30.500 0.004 -30.388 7 HA GLU 2 HA GLU 2 28.667 1.646 -31.577 8 1HB GLU 2 1HB GLU 2 29.250 -0.511 -33.303 9 2HB GLU 2 2HB GLU 2 27.731 -0.955 -32.551 10 1HG GLU 2 1HG GLU 2 26.595 0.941 -33.389 11 2HG GLU 2 2HG GLU 2 28.070 1.867 -33.585 12 H GLU 3 H GLU 3 26.295 0.871 -30.993 13 HA GLU 3 HA GLU 3 25.900 -1.200 -29.249 14 1HB GLU 3 1HB GLU 3 27.214 1.072 -27.991 15 2HB GLU 3 2HB GLU 3 25.621 0.850 -27.291 16 1HG GLU 3 1HG GLU 3 26.349 -1.730 -27.264 17 2HG GLU 3 2HG GLU 3 27.967 -1.056 -27.319 18 H SER 4 H SER 4 23.715 -0.954 -28.059 19 HA SER 4 HA SER 4 22.082 1.206 -28.531 20 1HB SER 4 1HB SER 4 20.569 0.265 -30.307 21 2HB SER 4 2HB SER 4 22.158 0.705 -30.902 22 HG SER 4 HG SER 4 22.428 -1.826 -30.150 23 H SER 5 H SER 5 19.688 0.597 -28.057 24 HA SER 5 HA SER 5 18.889 -1.867 -27.296 25 1HB SER 5 1HB SER 5 20.702 -0.676 -25.315 26 2HB SER 5 2HB SER 5 19.134 -1.033 -24.619 27 HG SER 5 HG SER 5 21.120 -2.788 -25.608 28 H LYS 6 H LYS 6 16.689 -1.779 -26.628 29 HA LYS 6 HA LYS 6 15.549 0.426 -25.352 30 1HB LYS 6 1HB LYS 6 14.300 1.455 -27.185 31 2HB LYS 6 2HB LYS 6 16.026 1.649 -27.402 32 1HG LYS 6 1HG LYS 6 16.094 -0.179 -29.037 33 2HG LYS 6 2HG LYS 6 14.422 -0.590 -28.717 34 1HD LYS 6 1HD LYS 6 13.630 1.499 -29.676 35 2HD LYS 6 2HD LYS 6 15.252 2.159 -29.743 36 1HE LYS 6 1HE LYS 6 15.761 0.047 -31.272 37 2HE LYS 6 2HE LYS 6 14.020 -0.003 -31.475 38 1HZ LYS 6 2HZ LYS 6 14.727 2.613 -31.808 39 2HZ LYS 6 3HZ LYS 6 15.871 1.772 -32.617 40 3HZ LYS 6 1HZ LYS 6 14.293 1.561 -32.980 41 H ALA 7 H ALA 7 13.014 0.272 -25.586 42 HA ALA 7 HA ALA 7 11.176 -0.952 -25.420 43 1HB ALA 7 1HB ALA 7 12.391 -1.902 -27.718 44 2HB ALA 7 2HB ALA 7 12.132 -3.389 -26.774 45 3HB ALA 7 3HB ALA 7 10.755 -2.329 -27.165 46 H VAL 8 H VAL 8 11.432 -1.122 -23.140 47 HA VAL 8 HA VAL 8 13.061 -2.648 -21.693 48 HB VAL 8 HB VAL 8 11.699 -1.586 -20.289 49 1HG1 VAL 8 1HG1 VAL 8 9.688 -1.802 -22.508 50 2HG1 VAL 8 2HG1 VAL 8 9.138 -1.352 -20.875 51 3HG1 VAL 8 3HG1 VAL 8 10.356 -0.358 -21.709 52 1HG2 VAL 8 2HG2 VAL 8 11.341 -3.938 -19.653 53 2HG2 VAL 8 3HG2 VAL 8 9.915 -2.936 -19.293 54 3HG2 VAL 8 1HG2 VAL 8 9.913 -4.006 -20.715 55 H LYS 9 H LYS 9 9.926 -3.853 -23.090 56 HA LYS 9 HA LYS 9 9.388 -5.863 -23.865 57 1HB LYS 9 1HB LYS 9 12.176 -5.864 -24.192 58 2HB LYS 9 2HB LYS 9 11.822 -7.379 -23.386 59 1HG LYS 9 1HG LYS 9 10.092 -7.905 -25.102 60 2HG LYS 9 2HG LYS 9 10.398 -6.375 -25.897 61 1HD LYS 9 1HD LYS 9 12.790 -7.076 -26.274 62 2HD LYS 9 2HD LYS 9 12.434 -8.624 -25.535 63 1HE LYS 9 1HE LYS 9 10.606 -7.772 -27.758 64 2HE LYS 9 2HE LYS 9 12.248 -8.176 -28.219 65 1HZ LYS 9 2HZ LYS 9 11.966 -10.276 -27.033 66 2HZ LYS 9 3HZ LYS 9 10.410 -9.900 -26.710 67 3HZ LYS 9 1HZ LYS 9 10.895 -10.115 -28.254 68 H TYR 10 H TYR 10 11.725 -6.336 -21.114 69 HA TYR 10 HA TYR 10 9.496 -7.525 -19.624 70 1HB TYR 10 1HB TYR 10 12.019 -8.794 -18.978 71 2HB TYR 10 2HB TYR 10 10.630 -9.550 -19.732 72 HD1 TYR 10 HD1 TYR 10 10.535 -9.897 -22.144 73 HD2 TYR 10 HD2 TYR 10 13.889 -7.948 -20.341 74 HE1 TYR 10 HE1 TYR 10 11.867 -10.189 -24.289 75 HE2 TYR 10 HE2 TYR 10 15.211 -8.247 -22.492 76 HH TYR 10 HH TYR 10 14.906 -8.606 -24.753 77 H TYR 11 H TYR 11 9.228 -6.357 -17.793 78 HA TYR 11 HA TYR 11 11.669 -5.347 -16.499 79 1HB TYR 11 1HB TYR 11 9.196 -4.073 -17.544 80 2HB TYR 11 2HB TYR 11 9.390 -3.740 -15.835 81 HD1 TYR 11 HD1 TYR 11 9.642 -1.334 -16.344 82 HD2 TYR 11 HD2 TYR 11 12.397 -4.234 -17.863 83 HE1 TYR 11 HE1 TYR 11 11.297 0.515 -16.895 84 HE2 TYR 11 HE2 TYR 11 14.042 -2.375 -18.410 85 HH TYR 11 HH TYR 11 14.270 0.232 -17.220 86 H THR 12 H THR 12 11.233 -4.786 -14.110 87 HA THR 12 HA THR 12 9.523 -6.910 -13.001 88 HB THR 12 HB THR 12 11.119 -6.886 -11.119 89 HG1 THR 12 HG1 THR 12 12.554 -4.891 -12.691 90 1HG2 THR 12 1HG2 THR 12 12.223 -7.018 -13.926 91 2HG2 THR 12 2HG2 THR 12 13.389 -6.950 -12.584 92 3HG2 THR 12 3HG2 THR 12 12.203 -8.274 -12.664 93 H LEU 13 H LEU 13 8.230 -6.483 -11.141 94 HA LEU 13 HA LEU 13 6.687 -4.271 -11.280 95 1HB LEU 13 1HB LEU 13 7.243 -6.356 -9.295 96 2HB LEU 13 2HB LEU 13 6.632 -4.871 -8.598 97 HG LEU 13 HG LEU 13 5.299 -6.719 -10.565 98 1HD1 LEU 13 2HD1 LEU 13 5.066 -7.073 -8.103 99 2HD1 LEU 13 3HD1 LEU 13 4.276 -5.481 -7.998 100 3HD1 LEU 13 1HD1 LEU 13 3.527 -6.784 -8.954 101 1HD2 LEU 13 2HD2 LEU 13 4.784 -3.787 -10.174 102 2HD2 LEU 13 3HD2 LEU 13 4.810 -4.750 -11.671 103 3HD2 LEU 13 1HD2 LEU 13 3.441 -4.894 -10.543 104 H GLU 14 H GLU 14 9.824 -4.654 -9.589 105 HA GLU 14 HA GLU 14 9.657 -2.222 -8.227 106 1HB GLU 14 1HB GLU 14 11.475 -4.404 -8.430 107 2HB GLU 14 2HB GLU 14 12.400 -2.974 -8.845 108 1HG GLU 14 1HG GLU 14 12.540 -3.251 -6.440 109 2HG GLU 14 2HG GLU 14 11.526 -1.855 -6.746 110 H GLU 15 H GLU 15 11.257 -3.200 -11.334 111 HA GLU 15 HA GLU 15 12.420 -0.812 -11.915 112 1HB GLU 15 1HB GLU 15 12.702 -2.979 -13.166 113 2HB GLU 15 2HB GLU 15 11.129 -2.735 -13.901 114 1HG GLU 15 1HG GLU 15 12.728 -1.910 -15.493 115 2HG GLU 15 2HG GLU 15 11.991 -0.488 -14.780 116 H ILE 16 H ILE 16 9.010 -1.829 -12.242 117 HA ILE 16 HA ILE 16 8.297 0.494 -13.764 118 HB ILE 16 HB ILE 16 6.459 -1.421 -12.339 119 1HG1 ILE 16 1HG1 ILE 16 7.034 -1.968 -15.172 120 2HG1 ILE 16 2HG1 ILE 16 8.406 -2.234 -14.117 121 1HG2 ILE 16 2HG2 ILE 16 6.136 0.790 -14.220 122 2HG2 ILE 16 3HG2 ILE 16 5.371 -0.715 -14.782 123 3HG2 ILE 16 1HG2 ILE 16 4.938 -0.035 -13.194 124 1HD1 ILE 16 1HD1 ILE 16 6.026 -3.282 -12.832 125 2HD1 ILE 16 2HD1 ILE 16 6.147 -3.932 -14.485 126 3HD1 ILE 16 3HD1 ILE 16 7.493 -4.152 -13.340 127 H GLN 17 H GLN 17 8.253 -0.579 -10.344 128 HA GLN 17 HA GLN 17 6.652 1.448 -9.383 129 1HB GLN 17 1HB GLN 17 7.776 -0.736 -8.282 130 2HB GLN 17 2HB GLN 17 8.942 0.441 -7.710 131 1HG GLN 17 1HG GLN 17 6.197 1.424 -7.363 132 2HG GLN 17 2HG GLN 17 6.411 -0.129 -6.579 133 1HE2 GLN 17 1HE2 GLN 17 8.447 -0.376 -5.286 134 2HE2 GLN 17 2HE2 GLN 17 8.943 0.951 -4.288 135 H LYS 18 H LYS 18 10.111 1.355 -10.251 136 HA LYS 18 HA LYS 18 10.794 3.768 -8.946 137 1HB LYS 18 1HB LYS 18 12.152 2.365 -11.266 138 2HB LYS 18 2HB LYS 18 12.858 3.609 -10.254 139 1HG LYS 18 1HG LYS 18 11.731 1.070 -9.020 140 2HG LYS 18 2HG LYS 18 13.350 1.092 -9.691 141 1HD LYS 18 1HD LYS 18 12.325 2.996 -7.531 142 2HD LYS 18 2HD LYS 18 13.322 1.587 -7.232 143 1HE LYS 18 1HE LYS 18 14.895 2.774 -9.088 144 2HE LYS 18 2HE LYS 18 14.073 4.210 -8.510 145 1HZ LYS 18 1HZ LYS 18 14.708 3.530 -6.254 146 2HZ LYS 18 2HZ LYS 18 15.577 2.293 -6.870 147 3HZ LYS 18 3HZ LYS 18 15.998 3.836 -7.208 148 H HIS 19 H HIS 19 9.304 2.918 -12.053 149 HA HIS 19 HA HIS 19 9.637 5.632 -13.002 150 1HB HIS 19 1HB HIS 19 8.591 3.074 -14.206 151 2HB HIS 19 2HB HIS 19 8.286 4.618 -14.975 152 HD1 HIS 19 HD1 HIS 19 9.891 4.919 -16.855 153 HD2 HIS 19 HD2 HIS 19 11.696 3.109 -13.530 154 HE1 HIS 19 HE1 HIS 19 12.344 4.580 -17.470 155 HE2 HIS 19 HE2 HIS 19 13.413 3.515 -15.369 156 H ASN 20 H ASN 20 8.388 6.800 -11.445 157 HA ASN 20 HA ASN 20 5.541 6.434 -11.895 158 1HB ASN 20 1HB ASN 20 5.903 5.454 -9.697 159 2HB ASN 20 2HB ASN 20 6.975 6.754 -9.216 160 1HD2 ASN 20 1HD2 ASN 20 3.950 7.065 -11.007 161 2HD2 ASN 20 2HD2 ASN 20 3.057 7.940 -9.808 162 H ASN 21 H ASN 21 7.962 8.294 -12.677 163 HA ASN 21 HA ASN 21 6.885 10.773 -11.606 164 1HB ASN 21 1HB ASN 21 9.528 10.213 -13.053 165 2HB ASN 21 2HB ASN 21 9.046 11.779 -12.434 166 1HD2 ASN 21 1HD2 ASN 21 10.040 8.533 -11.653 167 2HD2 ASN 21 2HD2 ASN 21 10.435 8.783 -9.986 168 H SER 22 H SER 22 6.726 12.628 -13.237 169 HA SER 22 HA SER 22 5.287 11.860 -15.449 170 1HB SER 22 1HB SER 22 5.568 14.176 -14.153 171 2HB SER 22 2HB SER 22 6.744 14.503 -15.408 172 HG SER 22 HG SER 22 3.919 14.062 -15.652 173 H LYS 23 H LYS 23 8.691 11.825 -14.897 174 HA LYS 23 HA LYS 23 9.336 12.131 -17.715 175 1HB LYS 23 1HB LYS 23 10.709 13.250 -15.974 176 2HB LYS 23 2HB LYS 23 11.141 11.683 -15.319 177 1HG LYS 23 1HG LYS 23 12.478 11.117 -17.158 178 2HG LYS 23 2HG LYS 23 11.570 12.121 -18.270 179 1HD LYS 23 1HD LYS 23 12.502 14.127 -16.801 180 2HD LYS 23 2HD LYS 23 13.694 12.955 -16.275 181 1HE LYS 23 1HE LYS 23 14.851 13.615 -18.138 182 2HE LYS 23 2HE LYS 23 13.767 12.537 -18.994 183 1HZ LYS 23 3HZ LYS 23 13.209 15.384 -18.526 184 2HZ LYS 23 1HZ LYS 23 13.841 14.785 -19.908 185 3HZ LYS 23 2HZ LYS 23 12.331 14.361 -19.449 186 H SER 24 H SER 24 8.857 9.683 -15.201 187 HA SER 24 HA SER 24 9.266 7.694 -17.270 188 1HB SER 24 1HB SER 24 10.154 6.372 -14.996 189 2HB SER 24 2HB SER 24 11.179 7.008 -16.266 190 HG SER 24 HG SER 24 11.325 9.023 -15.053 191 H THR 25 H THR 25 6.838 7.936 -17.232 192 HA THR 25 HA THR 25 5.594 6.817 -14.831 193 HB THR 25 HB THR 25 4.028 7.793 -17.209 194 HG1 THR 25 HG1 THR 25 5.561 9.459 -17.128 195 1HG2 THR 25 1HG2 THR 25 3.906 7.970 -14.177 196 2HG2 THR 25 2HG2 THR 25 3.038 9.168 -15.167 197 3HG2 THR 25 3HG2 THR 25 2.643 7.438 -15.313 198 H TRP 26 H TRP 26 6.041 4.631 -14.883 199 HA TRP 26 HA TRP 26 5.029 3.248 -17.273 200 1HB TRP 26 1HB TRP 26 7.229 2.463 -15.358 201 2HB TRP 26 2HB TRP 26 6.546 1.389 -16.561 202 HD1 TRP 26 HD1 TRP 26 7.324 5.100 -17.358 203 HE1 TRP 26 HE1 TRP 26 9.190 5.296 -19.214 204 HE3 TRP 26 HE3 TRP 26 8.397 0.134 -17.546 205 HZ2 TRP 26 HZ2 TRP 26 10.867 3.394 -20.523 206 HZ3 TRP 26 HZ3 TRP 26 10.161 -0.614 -19.140 207 HH2 TRP 26 HH2 TRP 26 11.381 0.926 -20.596 208 H LEU 27 H LEU 27 3.693 1.370 -16.884 209 HA LEU 27 HA LEU 27 3.022 0.722 -14.163 210 1HB LEU 27 1HB LEU 27 0.889 1.496 -14.050 211 2HB LEU 27 2HB LEU 27 1.673 2.803 -14.916 212 HG LEU 27 HG LEU 27 -0.317 2.529 -16.068 213 1HD1 LEU 27 2HD1 LEU 27 1.989 2.079 -17.409 214 2HD1 LEU 27 3HD1 LEU 27 1.071 0.616 -17.847 215 3HD1 LEU 27 1HD1 LEU 27 0.393 2.227 -18.184 216 1HD2 LEU 27 1HD2 LEU 27 -0.383 0.001 -14.916 217 2HD2 LEU 27 2HD2 LEU 27 -1.618 0.726 -15.974 218 3HD2 LEU 27 3HD2 LEU 27 -0.354 -0.319 -16.667 219 H ILE 28 H ILE 28 1.125 -1.024 -14.277 220 HA ILE 28 HA ILE 28 1.799 -2.738 -16.564 221 HB ILE 28 HB ILE 28 0.697 -3.973 -14.131 222 1HG1 ILE 28 1HG1 ILE 28 2.360 -2.053 -13.437 223 2HG1 ILE 28 2HG1 ILE 28 2.416 -3.626 -12.666 224 1HG2 ILE 28 2HG2 ILE 28 2.630 -4.585 -16.305 225 2HG2 ILE 28 3HG2 ILE 28 2.893 -5.376 -14.734 226 3HG2 ILE 28 1HG2 ILE 28 1.346 -5.586 -15.588 227 1HD1 ILE 28 2HD1 ILE 28 4.043 -3.458 -15.144 228 2HD1 ILE 28 3HD1 ILE 28 4.581 -2.376 -13.835 229 3HD1 ILE 28 1HD1 ILE 28 4.462 -4.130 -13.550 230 H LEU 29 H LEU 29 0.152 -3.578 -17.810 231 HA LEU 29 HA LEU 29 -2.572 -3.141 -16.854 232 1HB LEU 29 1HB LEU 29 -1.338 -1.474 -18.714 233 2HB LEU 29 2HB LEU 29 -2.298 -2.569 -19.689 234 HG LEU 29 HG LEU 29 -3.143 -0.411 -17.858 235 1HD1 LEU 29 3HD1 LEU 29 -3.408 -0.242 -20.273 236 2HD1 LEU 29 1HD1 LEU 29 -4.411 -1.711 -20.285 237 3HD1 LEU 29 2HD1 LEU 29 -4.994 -0.244 -19.462 238 1HD2 LEU 29 1HD2 LEU 29 -4.366 -3.135 -17.727 239 2HD2 LEU 29 2HD2 LEU 29 -4.155 -1.907 -16.456 240 3HD2 LEU 29 3HD2 LEU 29 -5.437 -1.713 -17.676 241 H HIS 30 H HIS 30 -3.456 -5.132 -16.779 242 HA HIS 30 HA HIS 30 -4.179 -7.090 -17.484 243 1HB HIS 30 1HB HIS 30 -2.785 -6.540 -20.118 244 2HB HIS 30 2HB HIS 30 -3.955 -7.807 -19.812 245 HD1 HIS 30 HD1 HIS 30 -3.691 -4.049 -20.196 246 HD2 HIS 30 HD2 HIS 30 -6.642 -7.010 -19.854 247 HE1 HIS 30 HE1 HIS 30 -5.909 -2.915 -20.747 248 HE2 HIS 30 HE2 HIS 30 -7.678 -4.796 -20.573 249 H TYR 31 H TYR 31 -0.771 -6.222 -18.125 250 HA TYR 31 HA TYR 31 0.428 -7.923 -16.474 251 1HB TYR 31 1HB TYR 31 -0.378 -9.972 -17.335 252 2HB TYR 31 2HB TYR 31 -0.749 -9.268 -18.896 253 HD1 TYR 31 HD1 TYR 31 2.203 -10.272 -16.810 254 HD2 TYR 31 HD2 TYR 31 0.562 -9.841 -20.737 255 HE1 TYR 31 HE1 TYR 31 4.269 -11.370 -17.802 256 HE2 TYR 31 HE2 TYR 31 2.633 -10.941 -21.716 257 HH TYR 31 HH TYR 31 4.375 -12.606 -20.829 258 H LYS 32 H LYS 32 0.287 -6.071 -19.352 259 HA LYS 32 HA LYS 32 3.176 -6.313 -19.758 260 1HB LYS 32 1HB LYS 32 1.236 -4.856 -21.554 261 2HB LYS 32 2HB LYS 32 2.845 -5.439 -21.930 262 1HG LYS 32 1HG LYS 32 1.658 -7.184 -22.862 263 2HG LYS 32 2HG LYS 32 1.739 -7.807 -21.226 264 1HD LYS 32 1HD LYS 32 -0.503 -7.466 -20.835 265 2HD LYS 32 2HD LYS 32 -0.529 -5.941 -21.696 266 1HE LYS 32 1HE LYS 32 -0.795 -6.993 -23.818 267 2HE LYS 32 2HE LYS 32 -0.211 -8.538 -23.234 268 1HZ LYS 32 1HZ LYS 32 -2.288 -8.243 -21.680 269 2HZ LYS 32 2HZ LYS 32 -2.824 -7.353 -22.940 270 3HZ LYS 32 3HZ LYS 32 -2.408 -8.917 -23.163 271 H VAL 33 H VAL 33 4.444 -4.304 -20.000 272 HA VAL 33 HA VAL 33 3.414 -2.286 -18.148 273 HB VAL 33 HB VAL 33 5.849 -1.596 -18.126 274 1HG1 VAL 33 1HG1 VAL 33 4.598 -3.992 -16.954 275 2HG1 VAL 33 2HG1 VAL 33 6.378 -4.013 -16.938 276 3HG1 VAL 33 3HG1 VAL 33 5.496 -2.667 -16.178 277 1HG2 VAL 33 2HG2 VAL 33 6.192 -3.041 -20.332 278 2HG2 VAL 33 3HG2 VAL 33 7.501 -2.818 -19.147 279 3HG2 VAL 33 1HG2 VAL 33 6.547 -4.321 -19.147 280 H TYR 34 H TYR 34 2.912 -0.247 -18.825 281 HA TYR 34 HA TYR 34 3.536 0.354 -21.637 282 1HB TYR 34 1HB TYR 34 1.348 1.383 -19.726 283 2HB TYR 34 2HB TYR 34 1.439 1.743 -21.438 284 HD1 TYR 34 HD1 TYR 34 1.297 -1.254 -19.177 285 HD2 TYR 34 HD2 TYR 34 0.079 0.527 -22.870 286 HE1 TYR 34 HE1 TYR 34 -0.149 -3.282 -19.685 287 HE2 TYR 34 HE2 TYR 34 -1.364 -1.508 -23.366 288 HH TYR 34 HH TYR 34 -2.548 -3.322 -21.702 289 H ASP 35 H ASP 35 3.952 2.639 -22.168 290 HA ASP 35 HA ASP 35 5.468 3.831 -20.024 291 1HB ASP 35 1HB ASP 35 5.995 3.508 -22.699 292 2HB ASP 35 2HB ASP 35 5.323 5.126 -22.721 293 H LEU 36 H LEU 36 3.479 4.559 -18.828 294 HA LEU 36 HA LEU 36 1.466 6.082 -19.933 295 1HB LEU 36 1HB LEU 36 2.648 5.980 -17.163 296 2HB LEU 36 2HB LEU 36 1.251 6.965 -17.555 297 HG LEU 36 HG LEU 36 1.501 3.974 -17.462 298 1HD1 LEU 36 3HD1 LEU 36 0.275 6.018 -15.877 299 2HD1 LEU 36 1HD1 LEU 36 -0.993 4.949 -16.526 300 3HD1 LEU 36 2HD1 LEU 36 0.355 4.262 -15.587 301 1HD2 LEU 36 3HD2 LEU 36 -0.304 5.554 -19.253 302 2HD2 LEU 36 1HD2 LEU 36 0.512 3.996 -19.531 303 3HD2 LEU 36 2HD2 LEU 36 -0.923 4.075 -18.480 304 H THR 37 H THR 37 4.819 6.886 -19.228 305 HA THR 37 HA THR 37 4.672 9.619 -18.905 306 HB THR 37 HB THR 37 6.636 7.553 -19.585 307 HG1 THR 37 HG1 THR 37 7.869 9.453 -18.475 308 1HG2 THR 37 3HG2 THR 37 6.961 10.342 -20.812 309 2HG2 THR 37 1HG2 THR 37 8.297 9.190 -20.565 310 3HG2 THR 37 2HG2 THR 37 6.979 8.797 -21.695 311 H LYS 38 H LYS 38 4.863 7.759 -22.007 312 HA LYS 38 HA LYS 38 4.471 10.210 -23.474 313 1HB LYS 38 1HB LYS 38 5.255 7.419 -24.067 314 2HB LYS 38 2HB LYS 38 4.301 8.198 -25.313 315 1HG LYS 38 1HG LYS 38 5.886 10.160 -25.261 316 2HG LYS 38 2HG LYS 38 6.861 9.317 -24.075 317 1HD LYS 38 1HD LYS 38 7.334 7.503 -25.660 318 2HD LYS 38 2HD LYS 38 6.205 8.163 -26.825 319 1HE LYS 38 1HE LYS 38 7.684 9.771 -27.551 320 2HE LYS 38 2HE LYS 38 8.283 10.099 -25.937 321 1HZ LYS 38 2HZ LYS 38 8.954 7.626 -27.360 322 2HZ LYS 38 3HZ LYS 38 9.847 8.986 -27.513 323 3HZ LYS 38 1HZ LYS 38 9.696 8.266 -26.054 324 H PHE 39 H PHE 39 2.456 8.557 -21.551 325 HA PHE 39 HA PHE 39 0.180 9.222 -23.234 326 1HB PHE 39 1HB PHE 39 0.330 6.631 -21.613 327 2HB PHE 39 2HB PHE 39 -0.792 7.014 -22.903 328 HD1 PHE 39 HD1 PHE 39 0.717 7.758 -25.161 329 HD2 PHE 39 HD2 PHE 39 1.738 4.910 -22.184 330 HE1 PHE 39 HE1 PHE 39 2.199 6.571 -26.804 331 HE2 PHE 39 HE2 PHE 39 3.220 3.724 -23.828 332 HZ PHE 39 HZ PHE 39 3.432 4.569 -26.118 333 H LEU 40 H LEU 40 1.255 10.714 -21.076 334 HA LEU 40 HA LEU 40 -0.287 9.979 -18.738 335 1HB LEU 40 1HB LEU 40 1.961 11.782 -19.378 336 2HB LEU 40 2HB LEU 40 0.846 12.381 -18.166 337 HG LEU 40 HG LEU 40 2.484 9.841 -18.076 338 1HD1 LEU 40 1HD1 LEU 40 2.593 12.503 -16.746 339 2HD1 LEU 40 2HD1 LEU 40 3.028 11.075 -15.778 340 3HD1 LEU 40 3HD1 LEU 40 3.905 11.429 -17.286 341 1HD2 LEU 40 2HD2 LEU 40 -0.081 10.363 -16.836 342 2HD2 LEU 40 3HD2 LEU 40 0.898 8.877 -16.855 343 3HD2 LEU 40 1HD2 LEU 40 1.189 10.120 -15.614 344 H GLU 41 H GLU 41 0.026 12.866 -20.930 345 HA GLU 41 HA GLU 41 -2.098 14.235 -19.937 346 1HB GLU 41 1HB GLU 41 -0.366 14.384 -22.207 347 2HB GLU 41 2HB GLU 41 -1.998 14.566 -22.816 348 1HG GLU 41 1HG GLU 41 -2.413 16.337 -21.052 349 2HG GLU 41 2HG GLU 41 -0.737 16.196 -20.559 350 H GLU 42 H GLU 42 -2.282 12.519 -23.134 351 HA GLU 42 HA GLU 42 -4.824 12.501 -23.603 352 1HB GLU 42 1HB GLU 42 -2.667 10.593 -24.096 353 2HB GLU 42 2HB GLU 42 -4.206 9.763 -23.990 354 1HG GLU 42 1HG GLU 42 -3.677 12.203 -25.754 355 2HG GLU 42 2HG GLU 42 -3.653 10.544 -26.322 356 H HIS 43 H HIS 43 -6.337 12.623 -21.930 357 HA HIS 43 HA HIS 43 -7.439 10.321 -20.973 358 1HB HIS 43 1HB HIS 43 -5.041 10.766 -19.610 359 2HB HIS 43 2HB HIS 43 -6.270 11.356 -18.508 360 HD1 HIS 43 HD1 HIS 43 -4.609 8.301 -19.535 361 HD2 HIS 43 HD2 HIS 43 -8.407 9.290 -18.054 362 HE1 HIS 43 HE1 HIS 43 -5.621 6.130 -18.653 363 HE2 HIS 43 HE2 HIS 43 -7.931 6.811 -17.707 364 HA PRO 44 HA PRO 44 -10.230 13.561 -20.187 365 1HB PRO 44 1HB PRO 44 -12.414 12.054 -19.531 366 2HB PRO 44 2HB PRO 44 -11.955 12.407 -21.185 367 1HG PRO 44 1HG PRO 44 -11.647 9.885 -19.673 368 2HG PRO 44 2HG PRO 44 -11.597 10.140 -21.406 369 1HD PRO 44 1HD PRO 44 -9.354 9.716 -19.669 370 2HD PRO 44 2HD PRO 44 -9.298 10.085 -21.381 371 H GLY 45 H GLY 45 -8.639 11.844 -17.992 372 1HA GLY 45 2HA GLY 45 -9.150 11.578 -15.658 373 2HA GLY 45 1HA GLY 45 -10.174 12.998 -15.746 374 H GLY 46 H GLY 46 -6.790 12.237 -16.860 375 1HA GLY 46 2HA GLY 46 -5.771 14.322 -15.076 376 2HA GLY 46 1HA GLY 46 -5.536 14.540 -16.799 377 H GLU 47 H GLU 47 -3.183 14.438 -16.248 378 HA GLU 47 HA GLU 47 -2.051 12.123 -17.024 379 1HB GLU 47 1HB GLU 47 -0.948 14.330 -15.241 380 2HB GLU 47 2HB GLU 47 0.058 13.037 -15.867 381 1HG GLU 47 1HG GLU 47 0.315 14.238 -17.772 382 2HG GLU 47 2HG GLU 47 -1.379 13.958 -18.123 383 H GLU 48 H GLU 48 -2.696 13.225 -13.639 384 HA GLU 48 HA GLU 48 -1.420 11.329 -12.248 385 1HB GLU 48 1HB GLU 48 -3.495 13.210 -11.767 386 2HB GLU 48 2HB GLU 48 -4.091 11.689 -11.133 387 1HG GLU 48 1HG GLU 48 -2.580 11.673 -9.416 388 2HG GLU 48 2HG GLU 48 -1.252 12.150 -10.456 389 H VAL 49 H VAL 49 -4.708 11.036 -13.746 390 HA VAL 49 HA VAL 49 -5.530 8.650 -12.862 391 HB VAL 49 HB VAL 49 -6.482 10.274 -14.623 392 1HG1 VAL 49 1HG1 VAL 49 -4.386 9.390 -16.151 393 2HG1 VAL 49 2HG1 VAL 49 -5.720 8.372 -16.745 394 3HG1 VAL 49 3HG1 VAL 49 -5.867 10.146 -16.787 395 1HG2 VAL 49 1HG2 VAL 49 -7.036 7.556 -13.958 396 2HG2 VAL 49 2HG2 VAL 49 -8.163 8.814 -14.522 397 3HG2 VAL 49 3HG2 VAL 49 -7.340 7.764 -15.699 398 H LEU 50 H LEU 50 -2.720 9.289 -14.924 399 HA LEU 50 HA LEU 50 -2.324 6.391 -15.165 400 1HB LEU 50 1HB LEU 50 -1.015 8.576 -16.783 401 2HB LEU 50 2HB LEU 50 -0.933 6.847 -17.061 402 HG LEU 50 HG LEU 50 -3.690 7.564 -17.075 403 1HD1 LEU 50 2HD1 LEU 50 -2.159 9.799 -17.796 404 2HD1 LEU 50 3HD1 LEU 50 -2.728 9.098 -19.329 405 3HD1 LEU 50 1HD1 LEU 50 -3.898 9.541 -18.062 406 1HD2 LEU 50 3HD2 LEU 50 -2.077 5.848 -18.395 407 2HD2 LEU 50 1HD2 LEU 50 -3.720 6.280 -18.929 408 3HD2 LEU 50 2HD2 LEU 50 -2.308 7.089 -19.651 409 H ARG 51 H ARG 51 -0.788 9.541 -14.309 410 HA ARG 51 HA ARG 51 1.649 8.436 -13.604 411 1HB ARG 51 1HB ARG 51 0.694 10.977 -13.851 412 2HB ARG 51 2HB ARG 51 0.645 10.845 -12.106 413 1HG ARG 51 1HG ARG 51 3.164 9.758 -13.082 414 2HG ARG 51 2HG ARG 51 2.923 11.359 -13.754 415 1HD ARG 51 1HD ARG 51 2.286 11.068 -10.839 416 2HD ARG 51 2HD ARG 51 3.980 10.908 -11.267 417 HE ARG 51 HE ARG 51 2.925 13.194 -12.627 418 1HH1 ARG 51 2HH1 ARG 51 3.340 15.306 -11.859 419 2HH1 ARG 51 1HH1 ARG 51 3.816 15.549 -10.211 420 1HH2 ARG 51 2HH2 ARG 51 3.717 12.129 -9.367 421 2HH2 ARG 51 1HH2 ARG 51 4.032 13.730 -8.785 422 H GLU 52 H GLU 52 -1.286 9.304 -11.650 423 HA GLU 52 HA GLU 52 -0.264 8.665 -9.192 424 1HB GLU 52 1HB GLU 52 -2.774 9.402 -10.292 425 2HB GLU 52 2HB GLU 52 -3.080 7.926 -9.399 426 1HG GLU 52 1HG GLU 52 -1.466 10.195 -8.175 427 2HG GLU 52 2HG GLU 52 -3.217 10.192 -8.109 428 H GLN 53 H GLN 53 -1.133 6.596 -11.872 429 HA GLN 53 HA GLN 53 -1.274 4.299 -10.110 430 1HB GLN 53 1HB GLN 53 -2.081 3.074 -12.086 431 2HB GLN 53 2HB GLN 53 -3.031 4.526 -11.840 432 1HG GLN 53 1HG GLN 53 -1.830 5.708 -13.604 433 2HG GLN 53 2HG GLN 53 -0.642 4.426 -13.735 434 1HE2 GLN 53 1HE2 GLN 53 -3.947 5.387 -14.331 435 2HE2 GLN 53 2HE2 GLN 53 -4.360 4.156 -15.478 436 H ALA 54 H ALA 54 0.772 5.941 -12.487 437 HA ALA 54 HA ALA 54 2.404 3.879 -13.297 438 1HB ALA 54 3HB ALA 54 2.267 6.647 -13.579 439 2HB ALA 54 2HB ALA 54 3.494 5.580 -14.304 440 3HB ALA 54 1HB ALA 54 3.823 6.391 -12.754 441 H GLY 55 H GLY 55 3.913 2.605 -12.318 442 1HA GLY 55 2HA GLY 55 4.762 3.398 -9.596 443 2HA GLY 55 1HA GLY 55 5.809 2.612 -10.760 444 H GLY 56 H GLY 56 3.205 1.050 -11.672 445 1HA GLY 56 2HA GLY 56 2.602 -0.629 -9.422 446 2HA GLY 56 1HA GLY 56 3.727 -1.374 -10.539 447 H ASP 57 H ASP 57 1.400 -2.699 -10.316 448 HA ASP 57 HA ASP 57 0.392 -2.574 -12.912 449 1HB ASP 57 1HB ASP 57 -0.031 -4.694 -12.203 450 2HB ASP 57 2HB ASP 57 0.095 -4.229 -10.519 451 H ALA 58 H ALA 58 -1.441 -1.476 -13.708 452 HA ALA 58 HA ALA 58 -3.023 -0.013 -11.707 453 1HB ALA 58 3HB ALA 58 -1.519 1.061 -13.675 454 2HB ALA 58 1HB ALA 58 -3.020 0.781 -14.588 455 3HB ALA 58 2HB ALA 58 -3.045 1.792 -13.124 456 H THR 59 H THR 59 -2.979 -2.514 -14.123 457 HA THR 59 HA THR 59 -5.478 -2.443 -15.218 458 HB THR 59 HB THR 59 -3.310 -4.202 -15.078 459 HG1 THR 59 HG1 THR 59 -6.043 -4.709 -16.014 460 1HG2 THR 59 3HG2 THR 59 -5.846 -5.583 -14.050 461 2HG2 THR 59 1HG2 THR 59 -4.364 -6.408 -14.592 462 3HG2 THR 59 2HG2 THR 59 -4.336 -5.402 -13.124 463 H GLU 60 H GLU 60 -4.563 -3.483 -11.905 464 HA GLU 60 HA GLU 60 -6.935 -4.621 -11.203 465 1HB GLU 60 1HB GLU 60 -4.589 -3.520 -9.850 466 2HB GLU 60 2HB GLU 60 -6.038 -3.227 -8.908 467 1HG GLU 60 1HG GLU 60 -6.142 -5.929 -9.960 468 2HG GLU 60 2HG GLU 60 -4.589 -5.686 -9.186 469 H ASN 61 H ASN 61 -6.027 -1.168 -11.437 470 HA ASN 61 HA ASN 61 -8.515 -0.379 -10.254 471 1HB ASN 61 1HB ASN 61 -5.966 0.808 -10.562 472 2HB ASN 61 2HB ASN 61 -6.984 1.729 -11.651 473 1HD2 ASN 61 1HD2 ASN 61 -9.107 2.443 -10.769 474 2HD2 ASN 61 2HD2 ASN 61 -9.170 3.021 -9.137 475 H PHE 62 H PHE 62 -6.744 -0.117 -13.425 476 HA PHE 62 HA PHE 62 -8.685 1.201 -14.857 477 1HB PHE 62 1HB PHE 62 -6.758 0.935 -16.140 478 2HB PHE 62 2HB PHE 62 -6.289 -0.502 -15.254 479 HD1 PHE 62 HD1 PHE 62 -7.330 0.722 -18.367 480 HD2 PHE 62 HD2 PHE 62 -7.702 -2.664 -15.834 481 HE1 PHE 62 HE1 PHE 62 -7.934 -0.696 -20.349 482 HE2 PHE 62 HE2 PHE 62 -8.306 -4.081 -17.816 483 HZ PHE 62 HZ PHE 62 -8.415 -3.080 -20.049 484 H GLU 63 H GLU 63 -8.808 -1.966 -13.481 485 HA GLU 63 HA GLU 63 -10.528 -3.040 -15.484 486 1HB GLU 63 1HB GLU 63 -9.321 -3.973 -12.907 487 2HB GLU 63 2HB GLU 63 -10.822 -4.743 -13.377 488 1HG GLU 63 1HG GLU 63 -8.935 -4.468 -15.637 489 2HG GLU 63 2HG GLU 63 -8.270 -5.412 -14.318 490 H ASP 64 H ASP 64 -10.814 -1.511 -12.247 491 HA ASP 64 HA ASP 64 -13.513 -2.110 -11.909 492 1HB ASP 64 1HB ASP 64 -11.487 -0.880 -10.429 493 2HB ASP 64 2HB ASP 64 -12.578 0.455 -10.749 494 H VAL 65 H VAL 65 -11.663 0.592 -13.411 495 HA VAL 65 HA VAL 65 -13.948 2.238 -13.818 496 HB VAL 65 HB VAL 65 -12.191 3.605 -13.851 497 1HG1 VAL 65 3HG1 VAL 65 -10.555 1.195 -14.664 498 2HG1 VAL 65 1HG1 VAL 65 -9.857 2.829 -14.578 499 3HG1 VAL 65 2HG1 VAL 65 -10.547 2.080 -13.119 500 1HG2 VAL 65 1HG2 VAL 65 -11.893 2.520 -16.673 501 2HG2 VAL 65 2HG2 VAL 65 -12.983 3.826 -16.148 502 3HG2 VAL 65 3HG2 VAL 65 -11.219 4.057 -16.078 503 H GLY 66 H GLY 66 -13.186 -0.742 -15.053 504 1HA GLY 66 2HA GLY 66 -15.085 -1.050 -16.871 505 2HA GLY 66 1HA GLY 66 -13.507 -1.788 -17.055 506 H HIS 67 H HIS 67 -11.737 -0.285 -18.055 507 HA HIS 67 HA HIS 67 -12.422 1.939 -19.531 508 1HB HIS 67 1HB HIS 67 -10.209 -0.092 -19.714 509 2HB HIS 67 2HB HIS 67 -10.347 1.170 -20.921 510 HD1 HIS 67 HD1 HIS 67 -9.681 0.666 -17.225 511 HD2 HIS 67 HD2 HIS 67 -9.567 3.730 -20.089 512 HE1 HIS 67 HE1 HIS 67 -8.499 2.637 -16.118 513 HE2 HIS 67 HE2 HIS 67 -8.409 4.469 -17.944 514 H SER 68 H SER 68 -11.910 1.776 -22.155 515 HA SER 68 HA SER 68 -14.033 0.009 -23.056 516 1HB SER 68 1HB SER 68 -14.474 1.550 -24.783 517 2HB SER 68 2HB SER 68 -14.056 2.582 -23.430 518 HG SER 68 HG SER 68 -12.357 3.313 -24.508 519 H THR 69 H THR 69 -13.728 -1.273 -25.021 520 HA THR 69 HA THR 69 -11.343 -2.621 -25.183 521 HB THR 69 HB THR 69 -13.704 -2.182 -27.049 522 HG1 THR 69 HG1 THR 69 -13.950 -4.426 -26.318 523 1HG2 THR 69 1HG2 THR 69 -11.390 -2.768 -28.263 524 2HG2 THR 69 2HG2 THR 69 -11.655 -4.364 -27.518 525 3HG2 THR 69 3HG2 THR 69 -12.859 -3.697 -28.648 526 H ASP 70 H ASP 70 -12.116 0.563 -26.397 527 HA ASP 70 HA ASP 70 -10.142 0.544 -28.408 528 1HB ASP 70 1HB ASP 70 -12.135 2.093 -28.328 529 2HB ASP 70 2HB ASP 70 -11.430 2.891 -26.936 530 H ALA 71 H ALA 71 -10.459 1.955 -25.067 531 HA ALA 71 HA ALA 71 -7.975 3.149 -24.912 532 1HB ALA 71 3HB ALA 71 -8.721 2.049 -22.363 533 2HB ALA 71 2HB ALA 71 -10.198 2.560 -23.215 534 3HB ALA 71 1HB ALA 71 -8.879 3.725 -22.940 535 H ARG 72 H ARG 72 -8.999 -0.245 -24.241 536 HA ARG 72 HA ARG 72 -6.545 -1.032 -23.219 537 1HB ARG 72 1HB ARG 72 -8.570 -2.766 -24.723 538 2HB ARG 72 2HB ARG 72 -7.378 -3.334 -23.571 539 1HG ARG 72 1HG ARG 72 -8.477 -1.946 -21.780 540 2HG ARG 72 2HG ARG 72 -9.688 -1.434 -22.939 541 1HD ARG 72 1HD ARG 72 -10.460 -3.355 -21.506 542 2HD ARG 72 2HD ARG 72 -10.499 -3.728 -23.218 543 HE ARG 72 HE ARG 72 -7.994 -4.466 -21.848 544 1HH1 ARG 72 2HH1 ARG 72 -7.462 -6.689 -21.791 545 2HH1 ARG 72 1HH1 ARG 72 -8.650 -7.873 -22.226 546 1HH2 ARG 72 2HH2 ARG 72 -11.180 -5.520 -22.909 547 2HH2 ARG 72 1HH2 ARG 72 -10.777 -7.203 -22.866 548 H GLU 73 H GLU 73 -7.983 -1.161 -26.542 549 HA GLU 73 HA GLU 73 -5.891 -2.541 -27.711 550 1HB GLU 73 1HB GLU 73 -8.314 -1.834 -28.568 551 2HB GLU 73 2HB GLU 73 -7.454 -0.472 -29.256 552 1HG GLU 73 1HG GLU 73 -6.440 -1.755 -30.860 553 2HG GLU 73 2HG GLU 73 -6.087 -3.054 -29.737 554 H LEU 74 H LEU 74 -6.461 0.975 -27.174 555 HA LEU 74 HA LEU 74 -4.304 1.877 -28.709 556 1HB LEU 74 1HB LEU 74 -5.342 3.758 -28.257 557 2HB LEU 74 2HB LEU 74 -6.346 2.953 -27.067 558 HG LEU 74 HG LEU 74 -4.228 3.313 -25.510 559 1HD1 LEU 74 1HD1 LEU 74 -3.655 4.968 -27.870 560 2HD1 LEU 74 2HD1 LEU 74 -3.568 5.844 -26.322 561 3HD1 LEU 74 3HD1 LEU 74 -2.579 4.387 -26.577 562 1HD2 LEU 74 3HD2 LEU 74 -6.358 5.331 -26.224 563 2HD2 LEU 74 1HD2 LEU 74 -6.326 4.171 -24.874 564 3HD2 LEU 74 2HD2 LEU 74 -5.222 5.567 -24.875 565 H SER 75 H SER 75 -4.602 0.825 -25.281 566 HA SER 75 HA SER 75 -2.167 1.653 -24.398 567 1HB SER 75 1HB SER 75 -2.452 0.116 -22.603 568 2HB SER 75 2HB SER 75 -4.080 0.532 -23.101 569 HG SER 75 HG SER 75 -3.765 -1.499 -24.579 570 H LYS 76 H LYS 76 -3.013 -0.980 -26.606 571 HA LYS 76 HA LYS 76 -0.771 -2.585 -26.326 572 1HB LYS 76 1HB LYS 76 -1.550 -3.685 -28.174 573 2HB LYS 76 2HB LYS 76 -3.009 -2.843 -27.690 574 1HG LYS 76 1HG LYS 76 -2.958 -2.256 -29.939 575 2HG LYS 76 2HG LYS 76 -2.053 -0.912 -29.271 576 1HD LYS 76 1HD LYS 76 0.071 -2.367 -29.666 577 2HD LYS 76 2HD LYS 76 -0.954 -3.398 -30.644 578 1HE LYS 76 1HE LYS 76 -1.472 -0.683 -31.448 579 2HE LYS 76 2HE LYS 76 0.269 -0.873 -31.363 580 1HZ LYS 76 1HZ LYS 76 -1.153 -3.042 -32.603 581 2HZ LYS 76 2HZ LYS 76 -1.175 -1.632 -33.426 582 3HZ LYS 76 3HZ LYS 76 0.250 -2.331 -33.040 583 H THR 77 H THR 77 -1.293 0.484 -28.100 584 HA THR 77 HA THR 77 1.254 0.358 -29.403 585 HB THR 77 HB THR 77 -0.893 1.539 -30.208 586 HG1 THR 77 HG1 THR 77 0.514 3.132 -31.134 587 1HG2 THR 77 2HG2 THR 77 -0.488 2.956 -27.703 588 2HG2 THR 77 3HG2 THR 77 -0.241 4.088 -29.055 589 3HG2 THR 77 1HG2 THR 77 -1.774 3.197 -28.908 590 H PHE 78 H PHE 78 0.134 1.230 -26.227 591 HA PHE 78 HA PHE 78 2.451 2.912 -25.765 592 1HB PHE 78 1HB PHE 78 0.051 1.922 -24.115 593 2HB PHE 78 2HB PHE 78 1.287 2.958 -23.432 594 HD1 PHE 78 HD1 PHE 78 -1.132 4.124 -23.081 595 HD2 PHE 78 HD2 PHE 78 1.033 3.965 -26.726 596 HE1 PHE 78 HE1 PHE 78 -2.370 6.146 -23.903 597 HE2 PHE 78 HE2 PHE 78 -0.206 5.988 -27.549 598 HZ PHE 78 HZ PHE 78 -1.892 7.054 -26.128 599 H ILE 79 H ILE 79 1.667 -0.414 -25.727 600 HA ILE 79 HA ILE 79 2.953 -1.251 -23.392 601 HB ILE 79 HB ILE 79 1.858 -2.425 -25.830 602 1HG1 ILE 79 1HG1 ILE 79 1.971 -3.118 -22.894 603 2HG1 ILE 79 2HG1 ILE 79 0.597 -2.579 -23.839 604 1HG2 ILE 79 3HG2 ILE 79 4.219 -3.771 -24.493 605 2HG2 ILE 79 1HG2 ILE 79 3.070 -4.581 -25.584 606 3HG2 ILE 79 2HG2 ILE 79 4.087 -3.252 -26.190 607 1HD1 ILE 79 1HD1 ILE 79 1.150 -4.798 -25.258 608 2HD1 ILE 79 2HD1 ILE 79 1.871 -5.299 -23.710 609 3HD1 ILE 79 3HD1 ILE 79 0.148 -4.856 -23.787 610 H ILE 80 H ILE 80 5.042 -1.076 -22.804 611 HA ILE 80 HA ILE 80 6.992 -0.725 -24.965 612 HB ILE 80 HB ILE 80 8.334 -0.002 -22.760 613 1HG1 ILE 80 1HG1 ILE 80 5.490 0.843 -22.146 614 2HG1 ILE 80 2HG1 ILE 80 6.316 -0.474 -21.333 615 1HG2 ILE 80 1HG2 ILE 80 7.825 1.230 -24.949 616 2HG2 ILE 80 2HG2 ILE 80 6.444 1.943 -24.079 617 3HG2 ILE 80 3HG2 ILE 80 8.102 2.211 -23.489 618 1HD1 ILE 80 2HD1 ILE 80 7.673 2.224 -21.494 619 2HD1 ILE 80 3HD1 ILE 80 6.381 1.961 -20.298 620 3HD1 ILE 80 1HD1 ILE 80 7.846 0.950 -20.264 621 H GLY 81 H GLY 81 5.953 -2.746 -22.254 622 1HA GLY 81 2HA GLY 81 8.202 -4.158 -21.613 623 2HA GLY 81 1HA GLY 81 7.674 -4.868 -23.125 624 H GLU 82 H GLU 82 7.711 -6.165 -20.490 625 HA GLU 82 HA GLU 82 4.960 -6.216 -19.685 626 1HB GLU 82 1HB GLU 82 6.092 -8.901 -20.433 627 2HB GLU 82 2HB GLU 82 4.418 -8.387 -20.351 628 1HG GLU 82 1HG GLU 82 4.721 -7.004 -22.398 629 2HG GLU 82 2HG GLU 82 6.415 -7.448 -22.468 630 H LEU 83 H LEU 83 4.652 -7.556 -17.683 631 HA LEU 83 HA LEU 83 6.860 -7.200 -15.950 632 1HB LEU 83 1HB LEU 83 4.430 -6.988 -15.381 633 2HB LEU 83 2HB LEU 83 4.303 -8.733 -15.472 634 HG LEU 83 HG LEU 83 4.888 -8.880 -13.340 635 1HD1 LEU 83 2HD1 LEU 83 7.446 -7.542 -14.243 636 2HD1 LEU 83 3HD1 LEU 83 7.194 -8.176 -12.598 637 3HD1 LEU 83 1HD1 LEU 83 7.134 -9.277 -13.995 638 1HD2 LEU 83 3HD2 LEU 83 4.479 -6.075 -13.670 639 2HD2 LEU 83 1HD2 LEU 83 4.238 -7.081 -12.222 640 3HD2 LEU 83 2HD2 LEU 83 5.818 -6.319 -12.525 641 H HIS 84 H HIS 84 8.593 -8.492 -15.683 642 HA HIS 84 HA HIS 84 8.779 -10.930 -17.051 643 1HB HIS 84 1HB HIS 84 10.507 -9.136 -15.767 644 2HB HIS 84 2HB HIS 84 10.683 -10.632 -14.870 645 HD1 HIS 84 HD1 HIS 84 13.167 -10.629 -15.936 646 HD2 HIS 84 HD2 HIS 84 10.003 -11.258 -18.617 647 HE1 HIS 84 HE1 HIS 84 14.208 -11.594 -18.056 648 HE2 HIS 84 HE2 HIS 84 12.208 -12.010 -19.646 649 HA PRO 85 HA PRO 85 7.676 -13.852 -14.022 650 1HB PRO 85 1HB PRO 85 9.802 -15.501 -13.549 651 2HB PRO 85 2HB PRO 85 8.796 -15.623 -14.979 652 1HG PRO 85 1HG PRO 85 11.528 -14.522 -14.724 653 2HG PRO 85 2HG PRO 85 10.682 -15.037 -16.169 654 1HD PRO 85 1HD PRO 85 11.120 -12.336 -15.309 655 2HD PRO 85 2HD PRO 85 10.176 -12.857 -16.692 656 H ASP 86 H ASP 86 9.459 -11.398 -13.114 657 HA ASP 86 HA ASP 86 10.247 -12.310 -10.559 658 1HB ASP 86 1HB ASP 86 11.527 -10.467 -11.011 659 2HB ASP 86 2HB ASP 86 10.360 -9.827 -12.149 660 H ASP 87 H ASP 87 7.362 -10.942 -12.079 661 HA ASP 87 HA ASP 87 5.927 -11.295 -9.645 662 1HB ASP 87 1HB ASP 87 6.412 -8.560 -10.862 663 2HB ASP 87 2HB ASP 87 4.896 -8.878 -10.040 664 H ARG 88 H ARG 88 5.793 -12.689 -12.078 665 HA ARG 88 HA ARG 88 3.831 -11.453 -13.736 666 1HB ARG 88 1HB ARG 88 5.700 -13.680 -13.919 667 2HB ARG 88 2HB ARG 88 4.102 -14.238 -14.377 668 1HG ARG 88 1HG ARG 88 3.940 -12.737 -16.190 669 2HG ARG 88 2HG ARG 88 5.092 -11.612 -15.500 670 1HD ARG 88 1HD ARG 88 6.686 -12.556 -16.816 671 2HD ARG 88 2HD ARG 88 6.581 -13.991 -15.816 672 HE ARG 88 HE ARG 88 4.480 -13.893 -17.843 673 1HH1 ARG 88 2HH1 ARG 88 4.555 -15.414 -19.547 674 2HH1 ARG 88 1HH1 ARG 88 6.013 -16.300 -19.852 675 1HH2 ARG 88 2HH2 ARG 88 7.829 -14.788 -17.241 676 2HH2 ARG 88 1HH2 ARG 88 7.887 -15.940 -18.531 677 H SER 89 H SER 89 3.992 -14.709 -12.098 678 HA SER 89 HA SER 89 1.216 -15.015 -12.189 679 1HB SER 89 1HB SER 89 2.929 -16.871 -12.058 680 2HB SER 89 2HB SER 89 3.220 -16.440 -10.385 681 HG SER 89 HG SER 89 1.639 -18.224 -10.772 682 H LYS 90 H LYS 90 1.914 -12.458 -11.015 683 HA LYS 90 HA LYS 90 0.687 -12.843 -8.387 684 1HB LYS 90 1HB LYS 90 3.379 -12.055 -8.810 685 2HB LYS 90 2HB LYS 90 2.511 -10.615 -8.315 686 1HG LYS 90 1HG LYS 90 2.065 -13.219 -6.826 687 2HG LYS 90 2HG LYS 90 3.492 -12.261 -6.484 688 1HD LYS 90 1HD LYS 90 2.282 -10.531 -5.516 689 2HD LYS 90 2HD LYS 90 0.897 -10.762 -6.565 690 1HE LYS 90 1HE LYS 90 0.076 -11.527 -4.494 691 2HE LYS 90 2HE LYS 90 0.558 -13.023 -5.268 692 1HZ LYS 90 3HZ LYS 90 2.723 -11.862 -3.895 693 2HZ LYS 90 1HZ LYS 90 1.457 -12.068 -2.886 694 3HZ LYS 90 2HZ LYS 90 2.061 -13.342 -3.708 695 H ILE 91 H ILE 91 1.369 -10.837 -11.268 696 HA ILE 91 HA ILE 91 -1.036 -9.295 -10.585 697 HB ILE 91 HB ILE 91 -0.014 -7.353 -10.893 698 1HG1 ILE 91 1HG1 ILE 91 1.738 -8.491 -13.088 699 2HG1 ILE 91 2HG1 ILE 91 0.133 -7.840 -13.354 700 1HG2 ILE 91 2HG2 ILE 91 2.416 -9.134 -10.609 701 2HG2 ILE 91 3HG2 ILE 91 2.456 -7.360 -10.483 702 3HG2 ILE 91 1HG2 ILE 91 1.506 -8.315 -9.320 703 1HD1 ILE 91 3HD1 ILE 91 1.545 -5.914 -11.771 704 2HD1 ILE 91 1HD1 ILE 91 2.626 -6.411 -13.095 705 3HD1 ILE 91 2HD1 ILE 91 1.011 -5.760 -13.462 706 H THR 92 H THR 92 1.040 -10.840 -13.064 707 HA THR 92 HA THR 92 -0.145 -10.220 -15.382 708 HB THR 92 HB THR 92 1.710 -11.975 -14.714 709 HG1 THR 92 HG1 THR 92 1.404 -12.693 -16.876 710 1HG2 THR 92 2HG2 THR 92 -0.376 -13.429 -13.692 711 2HG2 THR 92 3HG2 THR 92 -0.398 -14.006 -15.375 712 3HG2 THR 92 1HG2 THR 92 1.075 -14.185 -14.391 713 H LYS 93 H LYS 93 -1.645 -12.031 -12.730 714 HA LYS 93 HA LYS 93 -3.978 -12.469 -14.447 715 1HB LYS 93 1HB LYS 93 -2.913 -14.419 -13.252 716 2HB LYS 93 2HB LYS 93 -3.385 -13.682 -11.734 717 1HG LYS 93 1HG LYS 93 -5.792 -13.625 -12.630 718 2HG LYS 93 2HG LYS 93 -5.239 -14.597 -13.979 719 1HD LYS 93 1HD LYS 93 -4.892 -16.493 -12.664 720 2HD LYS 93 2HD LYS 93 -4.516 -15.566 -11.225 721 1HE LYS 93 1HE LYS 93 -7.238 -14.955 -11.937 722 2HE LYS 93 2HE LYS 93 -7.060 -16.697 -12.026 723 1HZ LYS 93 1HZ LYS 93 -5.888 -16.400 -9.789 724 2HZ LYS 93 2HZ LYS 93 -6.637 -14.950 -9.733 725 3HZ LYS 93 3HZ LYS 93 -7.519 -16.322 -9.832 726 HA PRO 94 HA PRO 94 -5.884 -9.189 -12.347 727 1HB PRO 94 1HB PRO 94 -8.392 -9.432 -13.405 728 2HB PRO 94 2HB PRO 94 -7.084 -8.601 -14.222 729 1HG PRO 94 1HG PRO 94 -8.228 -11.267 -14.790 730 2HG PRO 94 2HG PRO 94 -7.241 -10.254 -15.823 731 1HD PRO 94 1HD PRO 94 -6.384 -12.574 -14.371 732 2HD PRO 94 2HD PRO 94 -5.373 -11.495 -15.312 733 H SER 95 H SER 95 -7.784 -8.641 -10.909 734 HA SER 95 HA SER 95 -8.808 -11.036 -9.677 735 1HB SER 95 1HB SER 95 -6.550 -10.073 -8.579 736 2HB SER 95 2HB SER 95 -7.670 -8.968 -7.806 737 HG SER 95 HG SER 95 -8.851 -11.289 -7.484 738 H GLU 96 H GLU 96 -10.587 -10.466 -8.048 739 HA GLU 96 HA GLU 96 -11.869 -8.019 -8.968 740 1HB GLU 96 1HB GLU 96 -13.997 -9.085 -8.312 741 2HB GLU 96 2HB GLU 96 -13.114 -10.100 -9.436 742 1HG GLU 96 1HG GLU 96 -12.917 -11.784 -7.916 743 2HG GLU 96 2HG GLU 96 -12.342 -10.697 -6.670 744 H SER 97 H SER 97 -13.549 -7.190 -7.147 745 HA SER 97 HA SER 97 -12.429 -7.500 -4.521 746 1HB SER 97 1HB SER 97 -11.153 -5.610 -5.683 747 2HB SER 97 2HB SER 97 -12.661 -4.720 -5.746 748 HG SER 97 HG SER 97 -12.633 -5.326 -3.258 749 H ILE 98 H ILE 98 -14.001 -7.142 -2.895 750 HA ILE 98 HA ILE 98 -16.667 -6.535 -3.945 751 HB ILE 98 HB ILE 98 -16.069 -8.752 -2.799 752 1HG1 ILE 98 1HG1 ILE 98 -18.340 -8.362 -1.349 753 2HG1 ILE 98 2HG1 ILE 98 -18.441 -7.007 -2.458 754 1HG2 ILE 98 3HG2 ILE 98 -16.189 -6.929 -0.381 755 2HG2 ILE 98 1HG2 ILE 98 -16.312 -8.706 -0.322 756 3HG2 ILE 98 2HG2 ILE 98 -14.820 -7.936 -0.915 757 1HD1 ILE 98 2HD1 ILE 98 -17.590 -9.308 -3.971 758 2HD1 ILE 98 3HD1 ILE 98 -19.000 -9.774 -2.988 759 3HD1 ILE 98 1HD1 ILE 98 -19.111 -8.396 -4.111 760 H ILE 99 H ILE 99 -17.914 -4.872 -3.091 761 HA ILE 99 HA ILE 99 -16.418 -3.050 -1.356 762 HB ILE 99 HB ILE 99 -18.018 -1.356 -2.167 763 1HG1 ILE 99 1HG1 ILE 99 -18.942 -3.416 -4.180 764 2HG1 ILE 99 2HG1 ILE 99 -19.824 -3.080 -2.703 765 1HG2 ILE 99 3HG2 ILE 99 -15.802 -1.696 -3.208 766 2HG2 ILE 99 1HG2 ILE 99 -16.548 -2.805 -4.384 767 3HG2 ILE 99 2HG2 ILE 99 -17.022 -1.090 -4.355 768 1HD1 ILE 99 2HD1 ILE 99 -19.082 -0.598 -4.088 769 2HD1 ILE 99 3HD1 ILE 99 -20.049 -1.676 -5.122 770 3HD1 ILE 99 1HD1 ILE 99 -20.681 -1.153 -3.542 771 H THR 100 H THR 100 -18.137 -1.623 0.008 772 HA THR 100 HA THR 100 -19.932 -3.563 1.312 773 HB THR 100 HB THR 100 -17.732 -3.015 2.541 774 HG1 THR 100 HG1 THR 100 -20.275 -2.062 3.658 775 1HG2 THR 100 2HG2 THR 100 -18.320 -0.373 1.892 776 2HG2 THR 100 3HG2 THR 100 -18.979 -0.504 3.540 777 3HG2 THR 100 1HG2 THR 100 -17.263 -0.868 3.236 778 H THR 101 H THR 101 -21.955 -2.861 1.950 779 HA THR 101 HA THR 101 -22.853 -0.485 0.580 780 HB THR 101 HB THR 101 -24.090 -2.706 0.630 781 HG1 THR 101 HG1 THR 101 -25.375 -0.470 2.027 782 1HG2 THR 101 3HG2 THR 101 -24.047 -2.053 3.565 783 2HG2 THR 101 1HG2 THR 101 -25.598 -2.619 2.901 784 3HG2 THR 101 2HG2 THR 101 -24.146 -3.639 2.763 785 H ILE 102 H ILE 102 -24.047 1.257 1.584 786 HA ILE 102 HA ILE 102 -23.025 1.755 4.290 787 HB ILE 102 HB ILE 102 -23.706 3.627 2.027 788 1HG1 ILE 102 1HG1 ILE 102 -21.228 4.296 2.688 789 2HG1 ILE 102 2HG1 ILE 102 -21.174 2.656 3.301 790 1HG2 ILE 102 3HG2 ILE 102 -23.155 4.214 4.939 791 2HG2 ILE 102 1HG2 ILE 102 -22.905 5.413 3.647 792 3HG2 ILE 102 2HG2 ILE 102 -24.528 4.741 3.935 793 1HD1 ILE 102 2HD1 ILE 102 -22.354 3.042 0.565 794 2HD1 ILE 102 3HD1 ILE 102 -20.593 3.237 0.735 795 3HD1 ILE 102 1HD1 ILE 102 -21.368 1.702 1.195 796 H ASP 103 H ASP 103 -24.475 2.908 5.790 797 HA ASP 103 HA ASP 103 -27.266 2.666 5.042 798 1HB ASP 103 1HB ASP 103 -27.579 1.851 7.532 799 2HB ASP 103 2HB ASP 103 -27.140 0.693 6.294 800 H SER 104 H SER 104 -28.597 3.686 7.110 801 HA SER 104 HA SER 104 -29.061 5.467 8.258 802 1HB SER 104 1HB SER 104 -27.452 4.767 9.897 803 2HB SER 104 2HB SER 104 -26.099 5.287 8.913 804 HG SER 104 HG SER 104 -26.913 6.706 10.804 No H/Q in entry = 804 Start of MODEL 23 1 H ALA 1 H ALA 1 32.313 7.190 -27.470 2 HA ALA 1 HA ALA 1 31.812 6.907 -29.783 3 1HB ALA 1 3HB ALA 1 33.973 6.504 -30.282 4 2HB ALA 1 2HB ALA 1 33.882 4.836 -29.669 5 3HB ALA 1 1HB ALA 1 34.210 6.178 -28.548 6 H GLU 2 H GLU 2 29.599 5.708 -29.056 7 HA GLU 2 HA GLU 2 29.323 3.634 -30.847 8 1HB GLU 2 1HB GLU 2 30.510 2.677 -28.518 9 2HB GLU 2 2HB GLU 2 28.814 2.339 -28.236 10 1HG GLU 2 1HG GLU 2 29.031 1.513 -30.845 11 2HG GLU 2 2HG GLU 2 30.664 1.198 -30.292 12 H GLU 3 H GLU 3 27.059 2.373 -30.235 13 HA GLU 3 HA GLU 3 25.327 4.087 -28.737 14 1HB GLU 3 1HB GLU 3 23.768 4.527 -30.603 15 2HB GLU 3 2HB GLU 3 25.340 5.229 -30.926 16 1HG GLU 3 1HG GLU 3 25.846 3.692 -32.612 17 2HG GLU 3 2HG GLU 3 24.874 2.419 -31.899 18 H SER 4 H SER 4 22.978 3.132 -28.807 19 HA SER 4 HA SER 4 22.401 0.685 -29.780 20 1HB SER 4 1HB SER 4 24.215 0.510 -27.465 21 2HB SER 4 2HB SER 4 22.725 -0.372 -27.202 22 HG SER 4 HG SER 4 24.603 -1.510 -28.323 23 H SER 5 H SER 5 20.531 -0.408 -28.393 24 HA SER 5 HA SER 5 19.361 0.881 -26.305 25 1HB SER 5 1HB SER 5 19.129 2.513 -28.570 26 2HB SER 5 2HB SER 5 17.580 1.694 -28.511 27 HG SER 5 HG SER 5 17.801 3.762 -27.247 28 H LYS 6 H LYS 6 16.899 0.222 -26.138 29 HA LYS 6 HA LYS 6 15.902 -1.718 -27.901 30 1HB LYS 6 1HB LYS 6 16.170 -3.740 -26.592 31 2HB LYS 6 2HB LYS 6 17.739 -3.088 -27.020 32 1HG LYS 6 1HG LYS 6 16.934 -1.897 -24.512 33 2HG LYS 6 2HG LYS 6 16.690 -3.629 -24.391 34 1HD LYS 6 1HD LYS 6 19.129 -3.666 -25.565 35 2HD LYS 6 2HD LYS 6 19.244 -2.092 -24.802 36 1HE LYS 6 1HE LYS 6 19.826 -3.177 -22.891 37 2HE LYS 6 2HE LYS 6 18.156 -3.699 -22.774 38 1HZ LYS 6 3HZ LYS 6 18.765 -5.616 -24.142 39 2HZ LYS 6 1HZ LYS 6 20.329 -5.147 -24.120 40 3HZ LYS 6 2HZ LYS 6 19.586 -5.576 -22.732 41 H ALA 7 H ALA 7 14.051 -3.031 -26.543 42 HA ALA 7 HA ALA 7 12.709 -0.911 -25.018 43 1HB ALA 7 2HB ALA 7 11.690 -3.197 -26.743 44 2HB ALA 7 1HB ALA 7 11.507 -1.447 -27.022 45 3HB ALA 7 3HB ALA 7 10.634 -2.232 -25.683 46 H VAL 8 H VAL 8 11.970 -1.316 -22.942 47 HA VAL 8 HA VAL 8 13.198 -2.961 -21.276 48 HB VAL 8 HB VAL 8 11.803 -1.702 -20.084 49 1HG1 VAL 8 3HG1 VAL 8 10.124 -1.764 -22.552 50 2HG1 VAL 8 1HG1 VAL 8 9.332 -1.310 -21.024 51 3HG1 VAL 8 2HG1 VAL 8 10.732 -0.381 -21.611 52 1HG2 VAL 8 2HG2 VAL 8 11.128 -4.038 -19.503 53 2HG2 VAL 8 3HG2 VAL 8 9.858 -2.827 -19.200 54 3HG2 VAL 8 1HG2 VAL 8 9.761 -3.879 -20.632 55 H LYS 9 H LYS 9 10.090 -3.887 -22.926 56 HA LYS 9 HA LYS 9 9.371 -5.852 -23.651 57 1HB LYS 9 1HB LYS 9 12.277 -6.534 -23.305 58 2HB LYS 9 2HB LYS 9 11.124 -7.811 -23.637 59 1HG LYS 9 1HG LYS 9 10.913 -5.349 -25.344 60 2HG LYS 9 2HG LYS 9 12.329 -6.350 -25.595 61 1HD LYS 9 1HD LYS 9 10.870 -8.347 -25.936 62 2HD LYS 9 2HD LYS 9 9.447 -7.363 -25.660 63 1HE LYS 9 1HE LYS 9 9.442 -6.665 -27.819 64 2HE LYS 9 2HE LYS 9 11.084 -6.070 -27.677 65 1HZ LYS 9 1HZ LYS 9 11.667 -8.547 -27.888 66 2HZ LYS 9 2HZ LYS 9 10.175 -8.698 -28.535 67 3HZ LYS 9 3HZ LYS 9 11.270 -7.707 -29.232 68 H TYR 10 H TYR 10 11.580 -6.391 -20.813 69 HA TYR 10 HA TYR 10 9.250 -7.475 -19.401 70 1HB TYR 10 1HB TYR 10 11.580 -8.874 -18.546 71 2HB TYR 10 2HB TYR 10 10.318 -9.537 -19.565 72 HD1 TYR 10 HD1 TYR 10 10.599 -9.634 -22.016 73 HD2 TYR 10 HD2 TYR 10 13.717 -8.177 -19.474 74 HE1 TYR 10 HE1 TYR 10 12.273 -9.884 -23.914 75 HE2 TYR 10 HE2 TYR 10 15.380 -8.432 -21.380 76 HH TYR 10 HH TYR 10 14.494 -10.041 -24.341 77 H TYR 11 H TYR 11 8.944 -6.309 -17.574 78 HA TYR 11 HA TYR 11 11.356 -5.261 -16.253 79 1HB TYR 11 1HB TYR 11 8.813 -4.077 -17.267 80 2HB TYR 11 2HB TYR 11 9.063 -3.708 -15.573 81 HD1 TYR 11 HD1 TYR 11 9.205 -1.304 -16.189 82 HD2 TYR 11 HD2 TYR 11 12.028 -4.164 -17.654 83 HE1 TYR 11 HE1 TYR 11 10.784 0.579 -16.835 84 HE2 TYR 11 HE2 TYR 11 13.599 -2.272 -18.296 85 HH TYR 11 HH TYR 11 13.337 0.765 -17.124 86 H THR 12 H THR 12 10.965 -4.775 -13.869 87 HA THR 12 HA THR 12 9.278 -6.916 -12.762 88 HB THR 12 HB THR 12 10.899 -6.910 -10.903 89 HG1 THR 12 HG1 THR 12 12.667 -5.278 -11.146 90 1HG2 THR 12 1HG2 THR 12 11.616 -7.616 -13.532 91 2HG2 THR 12 2HG2 THR 12 12.939 -6.545 -13.010 92 3HG2 THR 12 3HG2 THR 12 12.548 -8.003 -12.066 93 H LEU 13 H LEU 13 8.100 -6.513 -10.782 94 HA LEU 13 HA LEU 13 6.462 -4.372 -10.883 95 1HB LEU 13 1HB LEU 13 7.205 -6.389 -8.907 96 2HB LEU 13 2HB LEU 13 6.637 -4.902 -8.175 97 HG LEU 13 HG LEU 13 5.160 -6.746 -10.052 98 1HD1 LEU 13 2HD1 LEU 13 5.152 -6.205 -7.190 99 2HD1 LEU 13 3HD1 LEU 13 3.535 -6.043 -7.914 100 3HD1 LEU 13 1HD1 LEU 13 4.447 -7.559 -8.106 101 1HD2 LEU 13 3HD2 LEU 13 4.626 -3.850 -9.469 102 2HD2 LEU 13 1HD2 LEU 13 4.518 -4.741 -11.005 103 3HD2 LEU 13 2HD2 LEU 13 3.274 -4.974 -9.753 104 H GLU 14 H GLU 14 9.699 -4.574 -9.350 105 HA GLU 14 HA GLU 14 9.491 -2.073 -8.104 106 1HB GLU 14 1HB GLU 14 11.346 -4.222 -8.195 107 2HB GLU 14 2HB GLU 14 12.238 -2.820 -8.753 108 1HG GLU 14 1HG GLU 14 12.518 -2.378 -6.528 109 2HG GLU 14 2HG GLU 14 10.898 -1.716 -6.624 110 H GLU 15 H GLU 15 11.233 -3.174 -11.104 111 HA GLU 15 HA GLU 15 12.289 -0.850 -11.887 112 1HB GLU 15 1HB GLU 15 12.506 -3.058 -13.056 113 2HB GLU 15 2HB GLU 15 10.896 -2.857 -13.715 114 1HG GLU 15 1HG GLU 15 12.397 -2.109 -15.434 115 2HG GLU 15 2HG GLU 15 11.696 -0.655 -14.752 116 H ILE 16 H ILE 16 8.854 -1.816 -12.023 117 HA ILE 16 HA ILE 16 8.151 0.519 -13.566 118 HB ILE 16 HB ILE 16 6.299 -1.440 -12.223 119 1HG1 ILE 16 1HG1 ILE 16 6.885 -1.938 -15.051 120 2HG1 ILE 16 2HG1 ILE 16 8.282 -2.178 -14.019 121 1HG2 ILE 16 2HG2 ILE 16 5.571 0.824 -13.311 122 2HG2 ILE 16 3HG2 ILE 16 5.818 -0.054 -14.840 123 3HG2 ILE 16 1HG2 ILE 16 4.654 -0.666 -13.641 124 1HD1 ILE 16 3HD1 ILE 16 6.122 -3.338 -12.595 125 2HD1 ILE 16 1HD1 ILE 16 5.894 -3.830 -14.291 126 3HD1 ILE 16 2HD1 ILE 16 7.422 -4.197 -13.455 127 H GLN 17 H GLN 17 8.094 -0.653 -10.182 128 HA GLN 17 HA GLN 17 6.475 1.367 -9.194 129 1HB GLN 17 1HB GLN 17 7.548 -0.888 -8.152 130 2HB GLN 17 2HB GLN 17 8.672 0.271 -7.470 131 1HG GLN 17 1HG GLN 17 5.958 1.289 -7.198 132 2HG GLN 17 2HG GLN 17 6.032 -0.341 -6.561 133 1HE2 GLN 17 1HE2 GLN 17 5.774 2.337 -5.293 134 2HE2 GLN 17 2HE2 GLN 17 7.013 2.428 -4.086 135 H LYS 18 H LYS 18 9.697 1.439 -10.449 136 HA LYS 18 HA LYS 18 10.497 3.726 -8.877 137 1HB LYS 18 1HB LYS 18 11.857 2.285 -11.173 138 2HB LYS 18 2HB LYS 18 12.565 3.584 -10.234 139 1HG LYS 18 1HG LYS 18 12.370 2.233 -8.162 140 2HG LYS 18 2HG LYS 18 11.567 0.951 -9.045 141 1HD LYS 18 1HD LYS 18 13.624 0.058 -9.415 142 2HD LYS 18 2HD LYS 18 13.907 1.375 -10.534 143 1HE LYS 18 1HE LYS 18 14.900 2.754 -8.754 144 2HE LYS 18 2HE LYS 18 14.474 1.565 -7.539 145 1HZ LYS 18 2HZ LYS 18 15.997 0.502 -9.708 146 2HZ LYS 18 3HZ LYS 18 16.794 1.634 -8.844 147 3HZ LYS 18 1HZ LYS 18 16.200 0.308 -8.099 148 H HIS 19 H HIS 19 8.919 2.966 -11.934 149 HA HIS 19 HA HIS 19 9.366 5.654 -12.911 150 1HB HIS 19 1HB HIS 19 8.073 3.185 -14.076 151 2HB HIS 19 2HB HIS 19 7.956 4.751 -14.854 152 HD1 HIS 19 HD1 HIS 19 9.473 4.506 -16.846 153 HD2 HIS 19 HD2 HIS 19 11.268 3.181 -13.294 154 HE1 HIS 19 HE1 HIS 19 11.895 3.958 -17.430 155 HE2 HIS 19 HE2 HIS 19 12.962 3.200 -15.197 156 H ASN 20 H ASN 20 8.237 6.875 -11.291 157 HA ASN 20 HA ASN 20 5.354 6.604 -11.590 158 1HB ASN 20 1HB ASN 20 6.952 7.151 -9.037 159 2HB ASN 20 2HB ASN 20 5.228 7.441 -9.148 160 1HD2 ASN 20 1HD2 ASN 20 7.503 4.899 -10.192 161 2HD2 ASN 20 2HD2 ASN 20 6.628 3.547 -9.556 162 H ASN 21 H ASN 21 7.880 8.353 -12.524 163 HA ASN 21 HA ASN 21 6.860 10.921 -11.640 164 1HB ASN 21 1HB ASN 21 9.504 9.924 -12.713 165 2HB ASN 21 2HB ASN 21 9.087 11.596 -13.031 166 1HD2 ASN 21 1HD2 ASN 21 10.747 9.694 -11.034 167 2HD2 ASN 21 2HD2 ASN 21 10.691 10.579 -9.547 168 H SER 22 H SER 22 6.547 12.631 -13.346 169 HA SER 22 HA SER 22 5.124 11.692 -15.503 170 1HB SER 22 1HB SER 22 5.442 14.131 -16.345 171 2HB SER 22 2HB SER 22 4.629 13.891 -14.811 172 HG SER 22 HG SER 22 6.236 15.557 -14.648 173 H LYS 23 H LYS 23 8.543 11.937 -14.996 174 HA LYS 23 HA LYS 23 9.112 12.074 -17.845 175 1HB LYS 23 1HB LYS 23 10.417 13.465 -16.279 176 2HB LYS 23 2HB LYS 23 10.966 12.026 -15.445 177 1HG LYS 23 1HG LYS 23 11.454 11.620 -18.253 178 2HG LYS 23 2HG LYS 23 12.029 13.228 -17.854 179 1HD LYS 23 1HD LYS 23 13.047 11.912 -15.717 180 2HD LYS 23 2HD LYS 23 12.979 10.563 -16.832 181 1HE LYS 23 1HE LYS 23 14.729 11.353 -18.064 182 2HE LYS 23 2HE LYS 23 14.065 12.973 -18.126 183 1HZ LYS 23 3HZ LYS 23 14.825 13.136 -15.744 184 2HZ LYS 23 1HZ LYS 23 15.713 11.793 -16.019 185 3HZ LYS 23 2HZ LYS 23 15.992 13.147 -16.887 186 H SER 24 H SER 24 8.521 9.785 -15.318 187 HA SER 24 HA SER 24 9.273 7.698 -17.158 188 1HB SER 24 1HB SER 24 10.792 8.333 -14.758 189 2HB SER 24 2HB SER 24 10.087 6.738 -14.602 190 HG SER 24 HG SER 24 12.160 7.608 -16.243 191 H THR 25 H THR 25 6.796 7.914 -17.177 192 HA THR 25 HA THR 25 5.574 6.715 -14.796 193 HB THR 25 HB THR 25 4.017 7.770 -17.158 194 HG1 THR 25 HG1 THR 25 4.530 9.921 -16.372 195 1HG2 THR 25 2HG2 THR 25 3.804 7.811 -14.116 196 2HG2 THR 25 3HG2 THR 25 2.850 8.929 -15.119 197 3HG2 THR 25 1HG2 THR 25 2.631 7.172 -15.293 198 H TRP 26 H TRP 26 6.038 4.543 -14.911 199 HA TRP 26 HA TRP 26 5.072 3.222 -17.357 200 1HB TRP 26 1HB TRP 26 7.501 2.857 -15.726 201 2HB TRP 26 2HB TRP 26 6.666 1.374 -16.148 202 HD1 TRP 26 HD1 TRP 26 7.506 0.383 -18.406 203 HE1 TRP 26 HE1 TRP 26 8.596 1.219 -20.660 204 HE3 TRP 26 HE3 TRP 26 7.423 5.327 -17.221 205 HZ2 TRP 26 HZ2 TRP 26 9.285 3.797 -21.671 206 HZ3 TRP 26 HZ3 TRP 26 8.324 6.938 -18.898 207 HH2 TRP 26 HH2 TRP 26 9.231 6.243 -21.059 208 H LEU 27 H LEU 27 3.641 1.451 -17.070 209 HA LEU 27 HA LEU 27 3.001 0.674 -14.352 210 1HB LEU 27 1HB LEU 27 0.859 1.408 -14.274 211 2HB LEU 27 2HB LEU 27 1.610 2.727 -15.148 212 HG LEU 27 HG LEU 27 -0.395 2.343 -16.277 213 1HD1 LEU 27 2HD1 LEU 27 1.938 2.104 -17.619 214 2HD1 LEU 27 3HD1 LEU 27 1.143 0.585 -18.094 215 3HD1 LEU 27 1HD1 LEU 27 0.339 2.144 -18.398 216 1HD2 LEU 27 1HD2 LEU 27 -0.294 -0.201 -15.184 217 2HD2 LEU 27 2HD2 LEU 27 -1.559 0.446 -16.255 218 3HD2 LEU 27 3HD2 LEU 27 -0.206 -0.489 -16.937 219 H ILE 28 H ILE 28 1.230 -1.155 -14.483 220 HA ILE 28 HA ILE 28 1.832 -2.745 -16.880 221 HB ILE 28 HB ILE 28 1.272 -4.046 -14.259 222 1HG1 ILE 28 1HG1 ILE 28 4.121 -3.407 -14.878 223 2HG1 ILE 28 2HG1 ILE 28 3.142 -2.130 -14.182 224 1HG2 ILE 28 1HG2 ILE 28 2.035 -4.851 -16.872 225 2HG2 ILE 28 2HG2 ILE 28 3.394 -5.207 -15.781 226 3HG2 ILE 28 3HG2 ILE 28 1.775 -5.858 -15.429 227 1HD1 ILE 28 2HD1 ILE 28 2.442 -4.359 -12.641 228 2HD1 ILE 28 3HD1 ILE 28 4.186 -4.576 -12.922 229 3HD1 ILE 28 1HD1 ILE 28 3.585 -3.080 -12.167 230 H LEU 29 H LEU 29 0.078 -3.244 -18.078 231 HA LEU 29 HA LEU 29 -2.505 -3.240 -16.680 232 1HB LEU 29 1HB LEU 29 -1.626 -1.488 -18.688 233 2HB LEU 29 2HB LEU 29 -2.704 -2.609 -19.493 234 HG LEU 29 HG LEU 29 -3.287 -0.499 -17.506 235 1HD1 LEU 29 1HD1 LEU 29 -4.841 -1.789 -19.764 236 2HD1 LEU 29 2HD1 LEU 29 -5.421 -0.428 -18.775 237 3HD1 LEU 29 3HD1 LEU 29 -3.977 -0.233 -19.796 238 1HD2 LEU 29 1HD2 LEU 29 -4.416 -3.259 -17.249 239 2HD2 LEU 29 2HD2 LEU 29 -3.996 -2.069 -15.994 240 3HD2 LEU 29 3HD2 LEU 29 -5.477 -1.859 -16.960 241 H HIS 30 H HIS 30 -3.710 -5.070 -16.890 242 HA HIS 30 HA HIS 30 -4.358 -7.058 -17.563 243 1HB HIS 30 1HB HIS 30 -4.477 -5.959 -19.808 244 2HB HIS 30 2HB HIS 30 -2.857 -6.537 -20.144 245 HD1 HIS 30 HD1 HIS 30 -2.627 -8.886 -21.056 246 HD2 HIS 30 HD2 HIS 30 -6.433 -8.131 -19.466 247 HE1 HIS 30 HE1 HIS 30 -4.065 -10.906 -21.657 248 HE2 HIS 30 HE2 HIS 30 -6.377 -10.409 -20.606 249 H TYR 31 H TYR 31 -0.930 -6.443 -18.585 250 HA TYR 31 HA TYR 31 0.200 -8.130 -16.727 251 1HB TYR 31 1HB TYR 31 -1.227 -9.520 -18.759 252 2HB TYR 31 2HB TYR 31 0.426 -9.561 -19.341 253 HD1 TYR 31 HD1 TYR 31 1.540 -9.555 -16.346 254 HD2 TYR 31 HD2 TYR 31 -1.262 -11.961 -18.508 255 HE1 TYR 31 HE1 TYR 31 2.028 -11.520 -14.807 256 HE2 TYR 31 HE2 TYR 31 -0.763 -13.917 -16.962 257 HH TYR 31 HH TYR 31 0.935 -13.528 -14.054 258 H LYS 32 H LYS 32 0.168 -6.230 -19.603 259 HA LYS 32 HA LYS 32 3.074 -6.462 -19.873 260 1HB LYS 32 1HB LYS 32 1.122 -5.093 -21.743 261 2HB LYS 32 2HB LYS 32 2.808 -5.463 -22.047 262 1HG LYS 32 1HG LYS 32 2.106 -7.425 -22.950 263 2HG LYS 32 2HG LYS 32 1.739 -7.952 -21.320 264 1HD LYS 32 1HD LYS 32 -0.531 -7.680 -21.591 265 2HD LYS 32 2HD LYS 32 -0.351 -6.217 -22.538 266 1HE LYS 32 1HE LYS 32 0.496 -7.728 -24.462 267 2HE LYS 32 2HE LYS 32 -0.043 -9.093 -23.505 268 1HZ LYS 32 2HZ LYS 32 -2.193 -7.606 -23.411 269 2HZ LYS 32 3HZ LYS 32 -1.610 -7.075 -24.841 270 3HZ LYS 32 1HZ LYS 32 -1.922 -8.662 -24.625 271 H VAL 33 H VAL 33 4.302 -4.389 -20.163 272 HA VAL 33 HA VAL 33 3.208 -2.407 -18.306 273 HB VAL 33 HB VAL 33 5.538 -1.716 -18.025 274 1HG1 VAL 33 1HG1 VAL 33 4.328 -4.044 -17.071 275 2HG1 VAL 33 2HG1 VAL 33 5.964 -4.560 -17.550 276 3HG1 VAL 33 3HG1 VAL 33 5.755 -3.226 -16.389 277 1HG2 VAL 33 1HG2 VAL 33 5.966 -2.988 -20.468 278 2HG2 VAL 33 2HG2 VAL 33 7.209 -2.311 -19.391 279 3HG2 VAL 33 3HG2 VAL 33 6.783 -4.036 -19.284 280 H TYR 34 H TYR 34 2.728 -0.356 -18.979 281 HA TYR 34 HA TYR 34 3.428 0.263 -21.771 282 1HB TYR 34 1HB TYR 34 1.131 1.237 -19.962 283 2HB TYR 34 2HB TYR 34 1.281 1.574 -21.677 284 HD1 TYR 34 HD1 TYR 34 1.155 -1.404 -19.384 285 HD2 TYR 34 HD2 TYR 34 -0.006 0.307 -23.130 286 HE1 TYR 34 HE1 TYR 34 -0.211 -3.481 -19.919 287 HE2 TYR 34 HE2 TYR 34 -1.368 -1.775 -23.652 288 HH TYR 34 HH TYR 34 -2.322 -3.583 -22.701 289 H ASP 35 H ASP 35 3.968 2.476 -22.281 290 HA ASP 35 HA ASP 35 5.316 3.714 -20.077 291 1HB ASP 35 1HB ASP 35 6.599 3.718 -22.071 292 2HB ASP 35 2HB ASP 35 5.218 4.106 -23.076 293 H LEU 36 H LEU 36 3.505 4.557 -18.817 294 HA LEU 36 HA LEU 36 1.344 5.920 -19.865 295 1HB LEU 36 1HB LEU 36 2.722 5.954 -17.194 296 2HB LEU 36 2HB LEU 36 1.335 6.978 -17.515 297 HG LEU 36 HG LEU 36 1.484 3.990 -17.302 298 1HD1 LEU 36 3HD1 LEU 36 0.435 6.148 -15.748 299 2HD1 LEU 36 1HD1 LEU 36 -0.912 5.105 -16.265 300 3HD1 LEU 36 2HD1 LEU 36 0.465 4.407 -15.380 301 1HD2 LEU 36 1HD2 LEU 36 -0.376 5.541 -19.060 302 2HD2 LEU 36 2HD2 LEU 36 0.364 3.940 -19.301 303 3HD2 LEU 36 3HD2 LEU 36 -0.997 4.130 -18.170 304 H THR 37 H THR 37 4.674 6.988 -19.149 305 HA THR 37 HA THR 37 4.266 9.732 -19.224 306 HB THR 37 HB THR 37 6.491 7.773 -19.508 307 HG1 THR 37 HG1 THR 37 7.328 9.569 -18.078 308 1HG2 THR 37 1HG2 THR 37 6.760 10.652 -20.527 309 2HG2 THR 37 2HG2 THR 37 8.104 9.522 -20.242 310 3HG2 THR 37 3HG2 THR 37 6.929 9.193 -21.536 311 H LYS 38 H LYS 38 3.820 7.393 -21.724 312 HA LYS 38 HA LYS 38 4.178 9.420 -23.788 313 1HB LYS 38 1HB LYS 38 4.430 6.535 -23.649 314 2HB LYS 38 2HB LYS 38 3.328 6.990 -24.933 315 1HG LYS 38 1HG LYS 38 5.947 8.483 -24.629 316 2HG LYS 38 2HG LYS 38 5.944 6.904 -25.386 317 1HD LYS 38 1HD LYS 38 3.759 8.374 -26.531 318 2HD LYS 38 2HD LYS 38 5.140 9.453 -26.513 319 1HE LYS 38 1HE LYS 38 6.505 7.517 -27.543 320 2HE LYS 38 2HE LYS 38 4.981 6.683 -27.780 321 1HZ LYS 38 3HZ LYS 38 4.511 9.142 -28.763 322 2HZ LYS 38 1HZ LYS 38 6.059 8.882 -29.212 323 3HZ LYS 38 2HZ LYS 38 4.893 7.828 -29.653 324 H PHE 39 H PHE 39 1.736 7.678 -21.917 325 HA PHE 39 HA PHE 39 -0.351 8.677 -23.690 326 1HB PHE 39 1HB PHE 39 -0.220 6.265 -22.783 327 2HB PHE 39 2HB PHE 39 -0.408 6.915 -21.167 328 HD1 PHE 39 HD1 PHE 39 -2.399 5.503 -20.869 329 HD2 PHE 39 HD2 PHE 39 -2.251 8.490 -23.879 330 HE1 PHE 39 HE1 PHE 39 -4.893 5.380 -21.113 331 HE2 PHE 39 HE2 PHE 39 -4.746 8.369 -24.122 332 HZ PHE 39 HZ PHE 39 -6.038 6.815 -22.737 333 H LEU 40 H LEU 40 1.384 10.354 -21.770 334 HA LEU 40 HA LEU 40 -0.603 11.175 -19.823 335 1HB LEU 40 1HB LEU 40 2.270 11.265 -20.079 336 2HB LEU 40 2HB LEU 40 1.642 12.865 -19.743 337 HG LEU 40 HG LEU 40 0.345 11.779 -17.808 338 1HD1 LEU 40 3HD1 LEU 40 0.725 9.438 -18.661 339 2HD1 LEU 40 1HD1 LEU 40 2.415 9.597 -18.125 340 3HD1 LEU 40 2HD1 LEU 40 1.091 9.698 -16.938 341 1HD2 LEU 40 1HD2 LEU 40 2.277 13.268 -17.524 342 2HD2 LEU 40 2HD2 LEU 40 2.241 11.980 -16.297 343 3HD2 LEU 40 3HD2 LEU 40 3.371 11.870 -17.669 344 H GLU 41 H GLU 41 -1.086 11.453 -22.762 345 HA GLU 41 HA GLU 41 -1.080 14.361 -22.912 346 1HB GLU 41 1HB GLU 41 -1.315 14.091 -25.346 347 2HB GLU 41 2HB GLU 41 0.083 13.205 -24.769 348 1HG GLU 41 1HG GLU 41 -1.462 11.132 -24.634 349 2HG GLU 41 2HG GLU 41 -2.643 12.070 -25.524 350 H GLU 42 H GLU 42 -3.100 11.432 -23.650 351 HA GLU 42 HA GLU 42 -5.429 13.111 -23.729 352 1HB GLU 42 1HB GLU 42 -4.744 10.859 -25.113 353 2HB GLU 42 2HB GLU 42 -5.696 10.135 -23.832 354 1HG GLU 42 1HG GLU 42 -7.592 11.666 -24.351 355 2HG GLU 42 2HG GLU 42 -6.641 12.439 -25.602 356 H HIS 43 H HIS 43 -7.114 10.769 -22.680 357 HA HIS 43 HA HIS 43 -7.786 9.876 -20.759 358 1HB HIS 43 1HB HIS 43 -5.108 10.338 -20.150 359 2HB HIS 43 2HB HIS 43 -5.969 11.153 -18.860 360 HD1 HIS 43 HD1 HIS 43 -4.440 8.070 -19.368 361 HD2 HIS 43 HD2 HIS 43 -8.267 9.129 -18.014 362 HE1 HIS 43 HE1 HIS 43 -5.318 6.061 -18.064 363 HE2 HIS 43 HE2 HIS 43 -7.649 6.791 -17.210 364 HA PRO 44 HA PRO 44 -10.158 13.428 -19.841 365 1HB PRO 44 1HB PRO 44 -12.356 12.135 -18.856 366 2HB PRO 44 2HB PRO 44 -12.102 12.428 -20.565 367 1HG PRO 44 1HG PRO 44 -11.812 9.903 -19.054 368 2HG PRO 44 2HG PRO 44 -11.982 10.134 -20.783 369 1HD PRO 44 1HD PRO 44 -9.566 9.526 -19.362 370 2HD PRO 44 2HD PRO 44 -9.717 9.871 -21.074 371 H GLY 45 H GLY 45 -8.476 11.545 -17.835 372 1HA GLY 45 2HA GLY 45 -8.526 11.372 -15.488 373 2HA GLY 45 1HA GLY 45 -9.614 12.743 -15.402 374 H GLY 46 H GLY 46 -6.484 12.270 -17.186 375 1HA GLY 46 2HA GLY 46 -5.375 14.518 -15.617 376 2HA GLY 46 1HA GLY 46 -5.220 14.430 -17.360 377 H GLU 47 H GLU 47 -2.871 14.412 -17.119 378 HA GLU 47 HA GLU 47 -1.668 12.104 -17.498 379 1HB GLU 47 1HB GLU 47 -0.607 14.542 -16.022 380 2HB GLU 47 2HB GLU 47 0.431 13.208 -16.483 381 1HG GLU 47 1HG GLU 47 0.587 14.027 -18.588 382 2HG GLU 47 2HG GLU 47 -1.147 13.888 -18.790 383 H GLU 48 H GLU 48 -2.321 13.561 -14.257 384 HA GLU 48 HA GLU 48 -0.952 11.783 -12.728 385 1HB GLU 48 1HB GLU 48 -2.724 13.886 -12.291 386 2HB GLU 48 2HB GLU 48 -3.587 12.523 -11.605 387 1HG GLU 48 1HG GLU 48 -1.953 12.117 -9.976 388 2HG GLU 48 2HG GLU 48 -0.659 12.794 -10.944 389 H VAL 49 H VAL 49 -4.349 11.535 -13.969 390 HA VAL 49 HA VAL 49 -5.250 9.331 -12.763 391 HB VAL 49 HB VAL 49 -6.255 10.774 -14.614 392 1HG1 VAL 49 1HG1 VAL 49 -4.253 9.702 -16.162 393 2HG1 VAL 49 2HG1 VAL 49 -5.653 8.704 -16.621 394 3HG1 VAL 49 3HG1 VAL 49 -5.730 10.475 -16.783 395 1HG2 VAL 49 1HG2 VAL 49 -6.740 7.979 -13.895 396 2HG2 VAL 49 2HG2 VAL 49 -7.883 9.331 -14.077 397 3HG2 VAL 49 3HG2 VAL 49 -7.377 8.396 -15.505 398 H LEU 50 H LEU 50 -2.562 9.526 -15.074 399 HA LEU 50 HA LEU 50 -2.402 6.610 -15.113 400 1HB LEU 50 1HB LEU 50 -0.900 8.674 -16.727 401 2HB LEU 50 2HB LEU 50 -0.794 6.934 -16.917 402 HG LEU 50 HG LEU 50 -3.542 7.590 -17.136 403 1HD1 LEU 50 3HD1 LEU 50 -2.008 9.850 -17.832 404 2HD1 LEU 50 1HD1 LEU 50 -2.537 9.110 -19.361 405 3HD1 LEU 50 2HD1 LEU 50 -3.739 9.563 -18.128 406 1HD2 LEU 50 3HD2 LEU 50 -2.149 5.763 -18.233 407 2HD2 LEU 50 1HD2 LEU 50 -3.389 6.547 -19.240 408 3HD2 LEU 50 2HD2 LEU 50 -1.676 6.992 -19.432 409 H ARG 51 H ARG 51 -0.773 9.583 -13.995 410 HA ARG 51 HA ARG 51 1.604 8.321 -13.288 411 1HB ARG 51 1HB ARG 51 0.778 10.919 -13.424 412 2HB ARG 51 2HB ARG 51 0.656 10.689 -11.691 413 1HG ARG 51 1HG ARG 51 3.128 9.521 -12.296 414 2HG ARG 51 2HG ARG 51 3.067 10.883 -13.395 415 1HD ARG 51 1HD ARG 51 2.417 11.181 -10.431 416 2HD ARG 51 2HD ARG 51 4.056 11.318 -11.037 417 HE ARG 51 HE ARG 51 2.162 12.996 -12.504 418 1HH1 ARG 51 2HH1 ARG 51 2.360 15.264 -12.300 419 2HH1 ARG 51 1HH1 ARG 51 3.316 15.937 -11.023 420 1HH2 ARG 51 2HH2 ARG 51 4.244 12.818 -9.675 421 2HH2 ARG 51 1HH2 ARG 51 4.395 14.537 -9.519 422 H GLU 52 H GLU 52 -1.494 8.973 -11.573 423 HA GLU 52 HA GLU 52 -0.587 8.220 -9.052 424 1HB GLU 52 1HB GLU 52 -2.944 8.186 -8.431 425 2HB GLU 52 2HB GLU 52 -2.662 9.543 -9.504 426 1HG GLU 52 1HG GLU 52 -3.644 8.394 -11.387 427 2HG GLU 52 2HG GLU 52 -3.608 6.848 -10.562 428 H GLN 53 H GLN 53 -1.031 6.390 -11.896 429 HA GLN 53 HA GLN 53 -1.464 3.979 -10.314 430 1HB GLN 53 1HB GLN 53 -2.167 2.930 -12.490 431 2HB GLN 53 2HB GLN 53 -3.203 4.248 -11.982 432 1HG GLN 53 1HG GLN 53 -1.946 5.805 -13.497 433 2HG GLN 53 2HG GLN 53 -0.935 4.472 -14.018 434 1HE2 GLN 53 1HE2 GLN 53 -4.051 5.970 -14.161 435 2HE2 GLN 53 2HE2 GLN 53 -4.743 5.016 -15.430 436 H ALA 54 H ALA 54 0.763 5.808 -12.278 437 HA ALA 54 HA ALA 54 2.336 3.695 -13.253 438 1HB ALA 54 1HB ALA 54 2.222 6.471 -13.485 439 2HB ALA 54 3HB ALA 54 3.446 5.406 -14.217 440 3HB ALA 54 2HB ALA 54 3.766 6.185 -12.647 441 H GLY 55 H GLY 55 3.823 2.395 -12.272 442 1HA GLY 55 2HA GLY 55 4.578 3.107 -9.498 443 2HA GLY 55 1HA GLY 55 5.702 2.429 -10.659 444 H GLY 56 H GLY 56 3.287 0.774 -11.795 445 1HA GLY 56 2HA GLY 56 2.704 -1.058 -9.630 446 2HA GLY 56 1HA GLY 56 3.832 -1.673 -10.821 447 H ASP 57 H ASP 57 1.589 -3.115 -10.696 448 HA ASP 57 HA ASP 57 0.530 -2.852 -13.242 449 1HB ASP 57 1HB ASP 57 0.487 -5.031 -12.325 450 2HB ASP 57 2HB ASP 57 -0.138 -4.479 -10.782 451 H ALA 58 H ALA 58 -1.351 -1.781 -13.974 452 HA ALA 58 HA ALA 58 -2.882 -0.361 -11.911 453 1HB ALA 58 3HB ALA 58 -1.526 0.683 -14.013 454 2HB ALA 58 1HB ALA 58 -3.098 0.383 -14.791 455 3HB ALA 58 2HB ALA 58 -3.002 1.417 -13.344 456 H THR 59 H THR 59 -2.916 -3.062 -13.986 457 HA THR 59 HA THR 59 -5.455 -3.058 -15.067 458 HB THR 59 HB THR 59 -3.320 -4.732 -15.088 459 HG1 THR 59 HG1 THR 59 -5.539 -4.552 -16.291 460 1HG2 THR 59 3HG2 THR 59 -3.925 -5.579 -12.729 461 2HG2 THR 59 1HG2 THR 59 -5.430 -6.212 -13.441 462 3HG2 THR 59 2HG2 THR 59 -3.854 -6.833 -13.989 463 H GLU 60 H GLU 60 -4.409 -4.014 -11.751 464 HA GLU 60 HA GLU 60 -6.782 -5.028 -10.903 465 1HB GLU 60 1HB GLU 60 -5.993 -4.148 -8.591 466 2HB GLU 60 2HB GLU 60 -4.947 -5.267 -9.441 467 1HG GLU 60 1HG GLU 60 -4.218 -2.683 -10.392 468 2HG GLU 60 2HG GLU 60 -4.434 -2.496 -8.664 469 H ASN 61 H ASN 61 -5.981 -1.733 -11.748 470 HA ASN 61 HA ASN 61 -8.269 -0.740 -10.284 471 1HB ASN 61 1HB ASN 61 -5.732 0.356 -11.064 472 2HB ASN 61 2HB ASN 61 -6.945 1.257 -11.953 473 1HD2 ASN 61 1HD2 ASN 61 -5.416 0.732 -8.974 474 2HD2 ASN 61 2HD2 ASN 61 -6.353 1.789 -7.973 475 H PHE 62 H PHE 62 -6.777 -0.630 -13.613 476 HA PHE 62 HA PHE 62 -8.820 0.538 -14.974 477 1HB PHE 62 1HB PHE 62 -7.165 0.067 -16.524 478 2HB PHE 62 2HB PHE 62 -6.449 -1.097 -15.427 479 HD1 PHE 62 HD1 PHE 62 -7.347 -3.475 -15.442 480 HD2 PHE 62 HD2 PHE 62 -8.300 -0.643 -18.456 481 HE1 PHE 62 HE1 PHE 62 -8.021 -5.339 -16.981 482 HE2 PHE 62 HE2 PHE 62 -8.974 -2.509 -19.995 483 HZ PHE 62 HZ PHE 62 -8.827 -4.834 -19.239 484 H GLU 63 H GLU 63 -8.777 -2.613 -13.452 485 HA GLU 63 HA GLU 63 -10.696 -3.793 -15.138 486 1HB GLU 63 1HB GLU 63 -9.260 -4.468 -12.641 487 2HB GLU 63 2HB GLU 63 -10.881 -5.131 -12.704 488 1HG GLU 63 1HG GLU 63 -9.544 -5.457 -15.288 489 2HG GLU 63 2HG GLU 63 -8.564 -6.136 -14.004 490 H ASP 64 H ASP 64 -10.803 -2.058 -11.972 491 HA ASP 64 HA ASP 64 -13.544 -2.465 -11.613 492 1HB ASP 64 1HB ASP 64 -11.421 -1.388 -10.141 493 2HB ASP 64 2HB ASP 64 -12.418 0.018 -10.452 494 H VAL 65 H VAL 65 -11.593 0.497 -12.493 495 HA VAL 65 HA VAL 65 -13.662 2.186 -13.063 496 HB VAL 65 HB VAL 65 -11.707 3.290 -13.086 497 1HG1 VAL 65 3HG1 VAL 65 -10.567 0.731 -14.149 498 2HG1 VAL 65 1HG1 VAL 65 -9.641 2.235 -14.372 499 3HG1 VAL 65 2HG1 VAL 65 -10.087 1.698 -12.734 500 1HG2 VAL 65 3HG2 VAL 65 -12.833 3.645 -15.337 501 2HG2 VAL 65 1HG2 VAL 65 -11.107 4.070 -15.250 502 3HG2 VAL 65 2HG2 VAL 65 -11.609 2.547 -16.021 503 H GLY 66 H GLY 66 -12.673 -0.705 -14.743 504 1HA GLY 66 2HA GLY 66 -14.890 -0.844 -16.374 505 2HA GLY 66 1HA GLY 66 -13.376 -1.686 -16.640 506 H HIS 67 H HIS 67 -11.597 -0.500 -17.812 507 HA HIS 67 HA HIS 67 -12.234 1.899 -19.163 508 1HB HIS 67 1HB HIS 67 -10.001 -0.119 -19.373 509 2HB HIS 67 2HB HIS 67 -10.117 1.231 -20.484 510 HD1 HIS 67 HD1 HIS 67 -9.135 0.346 -17.004 511 HD2 HIS 67 HD2 HIS 67 -9.764 3.825 -19.262 512 HE1 HIS 67 HE1 HIS 67 -8.094 2.259 -15.674 513 HE2 HIS 67 HE2 HIS 67 -8.463 4.362 -17.139 514 H SER 68 H SER 68 -11.690 1.771 -21.768 515 HA SER 68 HA SER 68 -13.725 -0.073 -22.723 516 1HB SER 68 1HB SER 68 -14.276 1.491 -24.381 517 2HB SER 68 2HB SER 68 -13.860 2.524 -23.028 518 HG SER 68 HG SER 68 -12.485 3.432 -24.396 519 H THR 69 H THR 69 -13.340 -1.248 -24.755 520 HA THR 69 HA THR 69 -10.860 -2.444 -24.923 521 HB THR 69 HB THR 69 -13.273 -2.156 -26.747 522 HG1 THR 69 HG1 THR 69 -11.796 -4.237 -25.294 523 1HG2 THR 69 1HG2 THR 69 -10.748 -3.811 -27.285 524 2HG2 THR 69 2HG2 THR 69 -12.277 -3.932 -28.189 525 3HG2 THR 69 3HG2 THR 69 -11.305 -2.444 -28.278 526 H ASP 70 H ASP 70 -11.894 0.681 -26.121 527 HA ASP 70 HA ASP 70 -9.913 0.833 -28.121 528 1HB ASP 70 1HB ASP 70 -12.028 2.210 -28.049 529 2HB ASP 70 2HB ASP 70 -11.400 3.061 -26.652 530 H ALA 71 H ALA 71 -10.330 2.001 -24.714 531 HA ALA 71 HA ALA 71 -7.995 3.495 -24.534 532 1HB ALA 71 3HB ALA 71 -8.370 3.386 -22.159 533 2HB ALA 71 1HB ALA 71 -9.969 3.420 -22.942 534 3HB ALA 71 2HB ALA 71 -9.316 1.887 -22.317 535 H ARG 72 H ARG 72 -8.644 -0.008 -23.905 536 HA ARG 72 HA ARG 72 -6.094 -0.555 -22.985 537 1HB ARG 72 1HB ARG 72 -7.915 -2.492 -24.493 538 2HB ARG 72 2HB ARG 72 -6.697 -2.907 -23.303 539 1HG ARG 72 1HG ARG 72 -7.986 -1.685 -21.546 540 2HG ARG 72 2HG ARG 72 -9.201 -1.251 -22.732 541 1HD ARG 72 1HD ARG 72 -8.683 -3.898 -21.426 542 2HD ARG 72 2HD ARG 72 -10.207 -3.161 -21.878 543 HE ARG 72 HE ARG 72 -10.000 -4.058 -24.064 544 1HH1 ARG 72 2HH1 ARG 72 -9.141 -5.559 -25.556 545 2HH1 ARG 72 1HH1 ARG 72 -7.602 -6.298 -25.252 546 1HH2 ARG 72 2HH2 ARG 72 -7.071 -4.623 -22.198 547 2HH2 ARG 72 1HH2 ARG 72 -6.418 -5.763 -23.328 548 H GLU 73 H GLU 73 -7.612 -0.858 -26.268 549 HA GLU 73 HA GLU 73 -5.440 -1.969 -27.529 550 1HB GLU 73 1HB GLU 73 -7.905 -1.525 -28.331 551 2HB GLU 73 2HB GLU 73 -7.277 0.003 -28.915 552 1HG GLU 73 1HG GLU 73 -5.421 -1.400 -30.087 553 2HG GLU 73 2HG GLU 73 -6.419 -2.798 -29.741 554 H LEU 74 H LEU 74 -6.313 1.487 -26.950 555 HA LEU 74 HA LEU 74 -4.287 2.607 -28.490 556 1HB LEU 74 1HB LEU 74 -5.275 4.471 -27.861 557 2HB LEU 74 2HB LEU 74 -6.389 3.486 -26.934 558 HG LEU 74 HG LEU 74 -4.317 3.727 -25.163 559 1HD1 LEU 74 1HD1 LEU 74 -4.297 6.142 -26.952 560 2HD1 LEU 74 2HD1 LEU 74 -3.917 6.296 -25.219 561 3HD1 LEU 74 3HD1 LEU 74 -2.937 5.230 -26.253 562 1HD2 LEU 74 3HD2 LEU 74 -6.980 4.878 -25.533 563 2HD2 LEU 74 1HD2 LEU 74 -6.208 4.199 -24.079 564 3HD2 LEU 74 2HD2 LEU 74 -5.910 5.893 -24.537 565 H SER 75 H SER 75 -4.330 1.297 -25.156 566 HA SER 75 HA SER 75 -1.889 2.331 -24.381 567 1HB SER 75 1HB SER 75 -3.812 0.967 -23.106 568 2HB SER 75 2HB SER 75 -2.765 -0.397 -23.442 569 HG SER 75 HG SER 75 -2.092 0.396 -21.458 570 H LYS 76 H LYS 76 -2.797 -0.473 -26.382 571 HA LYS 76 HA LYS 76 -0.449 -1.928 -26.240 572 1HB LYS 76 1HB LYS 76 -1.338 -3.175 -27.929 573 2HB LYS 76 2HB LYS 76 -2.790 -2.353 -27.394 574 1HG LYS 76 1HG LYS 76 -3.010 -1.724 -29.578 575 2HG LYS 76 2HG LYS 76 -1.798 -0.517 -29.201 576 1HD LYS 76 1HD LYS 76 0.003 -1.962 -30.003 577 2HD LYS 76 2HD LYS 76 -1.089 -3.324 -30.164 578 1HE LYS 76 1HE LYS 76 -1.969 -0.908 -31.657 579 2HE LYS 76 2HE LYS 76 -0.434 -1.552 -32.203 580 1HZ LYS 76 1HZ LYS 76 -1.492 -3.713 -32.402 581 2HZ LYS 76 2HZ LYS 76 -2.925 -3.085 -31.932 582 3HZ LYS 76 3HZ LYS 76 -2.243 -2.601 -33.334 583 H THR 77 H THR 77 -1.046 1.240 -27.524 584 HA THR 77 HA THR 77 1.162 1.149 -29.386 585 HB THR 77 HB THR 77 -1.113 2.489 -29.506 586 HG1 THR 77 HG1 THR 77 0.262 4.203 -30.581 587 1HG2 THR 77 3HG2 THR 77 -0.157 3.659 -27.169 588 2HG2 THR 77 1HG2 THR 77 0.436 4.785 -28.415 589 3HG2 THR 77 2HG2 THR 77 -1.304 4.436 -28.287 590 H PHE 78 H PHE 78 0.642 1.811 -25.989 591 HA PHE 78 HA PHE 78 3.182 3.231 -25.845 592 1HB PHE 78 1HB PHE 78 1.084 2.460 -23.727 593 2HB PHE 78 2HB PHE 78 2.394 3.597 -23.480 594 HD1 PHE 78 HD1 PHE 78 2.279 5.216 -25.936 595 HD2 PHE 78 HD2 PHE 78 -0.860 3.708 -23.509 596 HE1 PHE 78 HE1 PHE 78 0.793 7.094 -26.689 597 HE2 PHE 78 HE2 PHE 78 -2.345 5.585 -24.263 598 HZ PHE 78 HZ PHE 78 -1.502 7.256 -25.844 599 H ILE 79 H ILE 79 1.877 0.045 -25.596 600 HA ILE 79 HA ILE 79 3.187 -1.104 -23.515 601 HB ILE 79 HB ILE 79 2.103 -1.952 -26.094 602 1HG1 ILE 79 1HG1 ILE 79 1.961 -2.749 -23.211 603 2HG1 ILE 79 2HG1 ILE 79 0.676 -2.288 -24.311 604 1HG2 ILE 79 2HG2 ILE 79 4.262 -3.631 -24.789 605 2HG2 ILE 79 3HG2 ILE 79 3.139 -4.191 -26.052 606 3HG2 ILE 79 1HG2 ILE 79 4.310 -2.899 -26.411 607 1HD1 ILE 79 3HD1 ILE 79 1.165 -4.454 -25.610 608 2HD1 ILE 79 1HD1 ILE 79 2.195 -4.925 -24.237 609 3HD1 ILE 79 2HD1 ILE 79 0.453 -4.658 -23.992 610 H ILE 80 H ILE 80 5.259 -0.999 -22.859 611 HA ILE 80 HA ILE 80 7.294 -0.747 -24.959 612 HB ILE 80 HB ILE 80 8.504 -0.097 -22.577 613 1HG1 ILE 80 1HG1 ILE 80 6.917 1.690 -21.666 614 2HG1 ILE 80 2HG1 ILE 80 5.633 0.852 -22.516 615 1HG2 ILE 80 2HG2 ILE 80 7.570 1.268 -25.004 616 2HG2 ILE 80 3HG2 ILE 80 7.768 2.338 -23.595 617 3HG2 ILE 80 1HG2 ILE 80 9.137 1.350 -24.162 618 1HD1 ILE 80 2HD1 ILE 80 6.424 -1.295 -21.312 619 2HD1 ILE 80 3HD1 ILE 80 7.402 -0.221 -20.284 620 3HD1 ILE 80 1HD1 ILE 80 5.630 -0.062 -20.304 621 H GLY 81 H GLY 81 5.963 -2.738 -22.411 622 1HA GLY 81 2HA GLY 81 8.168 -4.227 -21.622 623 2HA GLY 81 1HA GLY 81 7.605 -4.937 -23.122 624 H GLU 82 H GLU 82 7.540 -6.110 -20.399 625 HA GLU 82 HA GLU 82 4.783 -5.983 -19.644 626 1HB GLU 82 1HB GLU 82 5.737 -8.761 -20.276 627 2HB GLU 82 2HB GLU 82 4.105 -8.124 -20.261 628 1HG GLU 82 1HG GLU 82 4.531 -6.871 -22.352 629 2HG GLU 82 2HG GLU 82 6.207 -7.384 -22.350 630 H LEU 83 H LEU 83 4.383 -7.497 -17.684 631 HA LEU 83 HA LEU 83 6.514 -7.081 -15.859 632 1HB LEU 83 1HB LEU 83 4.145 -6.881 -15.272 633 2HB LEU 83 2HB LEU 83 3.912 -8.592 -15.577 634 HG LEU 83 HG LEU 83 4.657 -9.179 -13.554 635 1HD1 LEU 83 1HD1 LEU 83 6.921 -7.312 -14.152 636 2HD1 LEU 83 2HD1 LEU 83 6.689 -7.901 -12.489 637 3HD1 LEU 83 3HD1 LEU 83 6.937 -9.060 -13.817 638 1HD2 LEU 83 1HD2 LEU 83 3.802 -6.399 -13.388 639 2HD2 LEU 83 2HD2 LEU 83 3.411 -7.786 -12.345 640 3HD2 LEU 83 3HD2 LEU 83 4.900 -6.853 -12.063 641 H HIS 84 H HIS 84 8.218 -8.368 -15.401 642 HA HIS 84 HA HIS 84 8.517 -10.790 -16.831 643 1HB HIS 84 1HB HIS 84 10.168 -8.950 -15.463 644 2HB HIS 84 2HB HIS 84 10.393 -10.487 -14.652 645 HD1 HIS 84 HD1 HIS 84 12.882 -9.938 -15.862 646 HD2 HIS 84 HD2 HIS 84 9.739 -11.322 -18.273 647 HE1 HIS 84 HE1 HIS 84 13.959 -10.856 -17.987 648 HE2 HIS 84 HE2 HIS 84 11.983 -11.742 -19.403 649 HA PRO 85 HA PRO 85 7.370 -13.708 -13.826 650 1HB PRO 85 1HB PRO 85 9.472 -15.412 -13.441 651 2HB PRO 85 2HB PRO 85 8.423 -15.486 -14.843 652 1HG PRO 85 1HG PRO 85 11.185 -14.449 -14.648 653 2HG PRO 85 2HG PRO 85 10.288 -14.922 -16.077 654 1HD PRO 85 1HD PRO 85 10.808 -12.246 -15.186 655 2HD PRO 85 2HD PRO 85 9.816 -12.722 -16.548 656 H ASP 86 H ASP 86 9.151 -11.286 -12.915 657 HA ASP 86 HA ASP 86 10.047 -12.253 -10.414 658 1HB ASP 86 1HB ASP 86 11.294 -10.396 -10.953 659 2HB ASP 86 2HB ASP 86 10.012 -9.689 -11.914 660 H ASP 87 H ASP 87 7.081 -10.941 -11.797 661 HA ASP 87 HA ASP 87 5.679 -11.438 -9.416 662 1HB ASP 87 1HB ASP 87 6.353 -8.593 -10.180 663 2HB ASP 87 2HB ASP 87 4.765 -8.913 -9.513 664 H ARG 88 H ARG 88 4.858 -12.757 -11.380 665 HA ARG 88 HA ARG 88 3.397 -11.190 -13.289 666 1HB ARG 88 1HB ARG 88 3.690 -14.224 -13.009 667 2HB ARG 88 2HB ARG 88 2.954 -13.407 -14.373 668 1HG ARG 88 1HG ARG 88 5.768 -12.650 -13.554 669 2HG ARG 88 2HG ARG 88 5.515 -14.133 -14.454 670 1HD ARG 88 1HD ARG 88 4.612 -11.346 -15.337 671 2HD ARG 88 2HD ARG 88 5.990 -12.221 -15.979 672 HE ARG 88 HE ARG 88 3.587 -13.824 -16.178 673 1HH1 ARG 88 2HH1 ARG 88 2.628 -14.145 -18.228 674 2HH1 ARG 88 1HH1 ARG 88 3.025 -13.091 -19.544 675 1HH2 ARG 88 2HH2 ARG 88 5.261 -11.114 -17.674 676 2HH2 ARG 88 1HH2 ARG 88 4.535 -11.355 -19.227 677 H SER 89 H SER 89 2.635 -14.141 -11.284 678 HA SER 89 HA SER 89 -0.116 -13.686 -11.446 679 1HB SER 89 1HB SER 89 -0.260 -15.483 -9.714 680 2HB SER 89 2HB SER 89 0.773 -15.925 -11.060 681 HG SER 89 HG SER 89 2.428 -14.754 -9.358 682 H LYS 90 H LYS 90 2.278 -11.988 -9.795 683 HA LYS 90 HA LYS 90 0.857 -11.549 -7.346 684 1HB LYS 90 1HB LYS 90 3.391 -10.517 -8.590 685 2HB LYS 90 2HB LYS 90 2.690 -9.674 -7.223 686 1HG LYS 90 1HG LYS 90 4.177 -11.252 -6.238 687 2HG LYS 90 2HG LYS 90 2.592 -11.966 -6.032 688 1HD LYS 90 1HD LYS 90 2.940 -13.579 -7.730 689 2HD LYS 90 2HD LYS 90 4.184 -12.629 -8.519 690 1HE LYS 90 1HE LYS 90 4.684 -13.591 -5.696 691 2HE LYS 90 2HE LYS 90 4.815 -14.747 -7.007 692 1HZ LYS 90 1HZ LYS 90 6.152 -12.556 -7.885 693 2HZ LYS 90 2HZ LYS 90 6.571 -12.655 -6.310 694 3HZ LYS 90 3HZ LYS 90 6.824 -13.925 -7.305 695 H ILE 91 H ILE 91 0.738 -10.349 -10.607 696 HA ILE 91 HA ILE 91 -1.005 -8.184 -9.661 697 HB ILE 91 HB ILE 91 -0.124 -6.658 -11.128 698 1HG1 ILE 91 1HG1 ILE 91 1.251 -8.883 -12.664 699 2HG1 ILE 91 2HG1 ILE 91 -0.257 -8.121 -13.129 700 1HG2 ILE 91 2HG2 ILE 91 1.484 -7.507 -9.278 701 2HG2 ILE 91 3HG2 ILE 91 2.423 -8.179 -10.633 702 3HG2 ILE 91 1HG2 ILE 91 2.109 -6.428 -10.550 703 1HD1 ILE 91 1HD1 ILE 91 2.019 -6.263 -12.547 704 2HD1 ILE 91 2HD1 ILE 91 2.162 -7.261 -14.014 705 3HD1 ILE 91 3HD1 ILE 91 0.769 -6.172 -13.813 706 H THR 92 H THR 92 -0.235 -10.752 -12.008 707 HA THR 92 HA THR 92 -1.885 -10.559 -14.023 708 HB THR 92 HB THR 92 -0.562 -12.607 -13.008 709 HG1 THR 92 HG1 THR 92 -1.739 -12.505 -15.081 710 1HG2 THR 92 1HG2 THR 92 -3.440 -13.219 -12.148 711 2HG2 THR 92 2HG2 THR 92 -2.070 -14.354 -12.104 712 3HG2 THR 92 3HG2 THR 92 -2.089 -12.939 -11.025 713 H LYS 93 H LYS 93 -3.102 -11.310 -10.699 714 HA LYS 93 HA LYS 93 -5.407 -9.785 -11.056 715 1HB LYS 93 1HB LYS 93 -6.078 -11.471 -12.681 716 2HB LYS 93 2HB LYS 93 -5.808 -12.755 -11.520 717 1HG LYS 93 1HG LYS 93 -7.525 -11.575 -9.998 718 2HG LYS 93 2HG LYS 93 -7.900 -10.541 -11.363 719 1HD LYS 93 1HD LYS 93 -8.957 -12.232 -12.542 720 2HD LYS 93 2HD LYS 93 -7.885 -13.478 -11.937 721 1HE LYS 93 1HE LYS 93 -9.181 -13.890 -10.066 722 2HE LYS 93 2HE LYS 93 -9.635 -12.209 -9.873 723 1HZ LYS 93 2HZ LYS 93 -10.814 -12.877 -12.181 724 2HZ LYS 93 3HZ LYS 93 -10.949 -14.268 -11.334 725 3HZ LYS 93 1HZ LYS 93 -11.553 -12.879 -10.724 726 HA PRO 94 HA PRO 94 -4.676 -10.568 -6.811 727 1HB PRO 94 1HB PRO 94 -6.003 -8.382 -5.847 728 2HB PRO 94 2HB PRO 94 -4.324 -8.340 -6.346 729 1HG PRO 94 1HG PRO 94 -6.701 -7.282 -7.747 730 2HG PRO 94 2HG PRO 94 -5.012 -6.891 -8.002 731 1HD PRO 94 1HD PRO 94 -6.646 -8.585 -9.639 732 2HD PRO 94 2HD PRO 94 -4.929 -8.286 -9.826 733 H SER 95 H SER 95 -6.326 -10.156 -4.721 734 HA SER 95 HA SER 95 -8.808 -11.381 -5.581 735 1HB SER 95 1HB SER 95 -7.173 -13.182 -4.862 736 2HB SER 95 2HB SER 95 -7.136 -12.456 -3.268 737 HG SER 95 HG SER 95 -9.735 -12.921 -4.209 738 H GLU 96 H GLU 96 -10.604 -10.913 -4.170 739 HA GLU 96 HA GLU 96 -10.106 -9.556 -1.725 740 1HB GLU 96 1HB GLU 96 -11.178 -7.431 -2.309 741 2HB GLU 96 2HB GLU 96 -9.787 -7.695 -3.342 742 1HG GLU 96 1HG GLU 96 -11.062 -7.789 -5.232 743 2HG GLU 96 2HG GLU 96 -12.234 -8.863 -4.492 744 H SER 97 H SER 97 -12.254 -8.976 -0.622 745 HA SER 97 HA SER 97 -14.662 -9.781 -1.680 746 1HB SER 97 1HB SER 97 -13.436 -12.063 -1.478 747 2HB SER 97 2HB SER 97 -13.610 -11.877 0.257 748 HG SER 97 HG SER 97 -15.664 -12.454 0.112 749 H ILE 98 H ILE 98 -16.372 -9.237 -0.223 750 HA ILE 98 HA ILE 98 -15.898 -8.961 2.557 751 HB ILE 98 HB ILE 98 -14.642 -7.007 1.629 752 1HG1 ILE 98 1HG1 ILE 98 -16.272 -5.390 3.145 753 2HG1 ILE 98 2HG1 ILE 98 -16.731 -6.986 3.706 754 1HG2 ILE 98 2HG2 ILE 98 -17.071 -6.641 0.160 755 2HG2 ILE 98 3HG2 ILE 98 -16.800 -5.221 1.198 756 3HG2 ILE 98 1HG2 ILE 98 -15.542 -5.738 0.051 757 1HD1 ILE 98 1HD1 ILE 98 -14.187 -7.478 3.890 758 2HD1 ILE 98 2HD1 ILE 98 -13.967 -5.720 3.718 759 3HD1 ILE 98 3HD1 ILE 98 -14.893 -6.371 5.091 760 H ILE 99 H ILE 99 -17.869 -8.584 3.706 761 HA ILE 99 HA ILE 99 -20.237 -8.293 2.024 762 HB ILE 99 HB ILE 99 -19.748 -10.709 2.350 763 1HG1 ILE 99 1HG1 ILE 99 -22.290 -10.095 3.817 764 2HG1 ILE 99 2HG1 ILE 99 -22.095 -9.501 2.180 765 1HG2 ILE 99 3HG2 ILE 99 -18.824 -10.318 4.717 766 2HG2 ILE 99 1HG2 ILE 99 -20.525 -10.341 5.240 767 3HG2 ILE 99 2HG2 ILE 99 -19.821 -11.764 4.435 768 1HD1 ILE 99 2HD1 ILE 99 -21.174 -12.179 2.088 769 2HD1 ILE 99 3HD1 ILE 99 -22.643 -12.215 3.092 770 3HD1 ILE 99 1HD1 ILE 99 -22.709 -11.551 1.442 771 H THR 100 H THR 100 -22.160 -7.611 3.270 772 HA THR 100 HA THR 100 -21.903 -6.908 6.002 773 HB THR 100 HB THR 100 -20.370 -5.201 4.888 774 HG1 THR 100 HG1 THR 100 -21.366 -4.511 6.808 775 1HG2 THR 100 1HG2 THR 100 -21.923 -4.963 2.803 776 2HG2 THR 100 2HG2 THR 100 -22.980 -3.996 3.860 777 3HG2 THR 100 3HG2 THR 100 -21.315 -3.455 3.530 778 H THR 101 H THR 101 -23.836 -5.566 6.732 779 HA THR 101 HA THR 101 -26.076 -5.753 4.876 780 HB THR 101 HB THR 101 -25.972 -7.965 6.039 781 HG1 THR 101 HG1 THR 101 -28.164 -7.561 7.106 782 1HG2 THR 101 3HG2 THR 101 -24.902 -6.947 8.200 783 2HG2 THR 101 1HG2 THR 101 -26.555 -6.427 8.607 784 3HG2 THR 101 2HG2 THR 101 -26.186 -8.158 8.422 785 H ILE 102 H ILE 102 -27.967 -4.531 5.586 786 HA ILE 102 HA ILE 102 -27.238 -2.529 7.608 787 HB ILE 102 HB ILE 102 -27.017 -1.735 5.241 788 1HG1 ILE 102 1HG1 ILE 102 -29.027 0.113 6.064 789 2HG1 ILE 102 2HG1 ILE 102 -28.249 -0.496 7.511 790 1HG2 ILE 102 1HG2 ILE 102 -30.030 -2.065 5.241 791 2HG2 ILE 102 2HG2 ILE 102 -29.079 -1.201 4.010 792 3HG2 ILE 102 3HG2 ILE 102 -28.862 -2.953 4.233 793 1HD1 ILE 102 3HD1 ILE 102 -26.478 0.246 5.190 794 2HD1 ILE 102 1HD1 ILE 102 -27.220 1.560 6.135 795 3HD1 ILE 102 2HD1 ILE 102 -26.167 0.372 6.939 796 H ASP 103 H ASP 103 -28.922 -1.817 8.975 797 HA ASP 103 HA ASP 103 -31.509 -3.005 8.517 798 1HB ASP 103 1HB ASP 103 -31.472 -3.596 11.087 799 2HB ASP 103 2HB ASP 103 -30.764 -4.711 9.935 800 H SER 104 H SER 104 -33.064 -2.117 10.402 801 HA SER 104 HA SER 104 -33.940 -0.444 11.471 802 1HB SER 104 1HB SER 104 -31.949 -0.538 12.940 803 2HB SER 104 2HB SER 104 -31.075 0.527 11.859 804 HG SER 104 HG SER 104 -33.574 1.296 13.089 No H/Q in entry = 804 Start of MODEL 24 1 H ALA 1 H ALA 1 30.930 1.826 -33.550 2 HA ALA 1 HA ALA 1 32.709 -0.375 -33.913 3 1HB ALA 1 2HB ALA 1 32.089 1.687 -31.854 4 2HB ALA 1 3HB ALA 1 32.787 0.164 -31.253 5 3HB ALA 1 1HB ALA 1 33.660 1.123 -32.472 6 H GLU 2 H GLU 2 29.824 0.252 -31.787 7 HA GLU 2 HA GLU 2 28.579 -2.088 -32.245 8 1HB GLU 2 1HB GLU 2 30.969 -2.628 -30.792 9 2HB GLU 2 2HB GLU 2 29.661 -2.800 -29.639 10 1HG GLU 2 1HG GLU 2 28.540 -4.452 -30.998 11 2HG GLU 2 2HG GLU 2 29.532 -4.087 -32.395 12 H GLU 3 H GLU 3 26.542 -1.651 -31.511 13 HA GLU 3 HA GLU 3 25.870 -1.095 -28.960 14 1HB GLU 3 1HB GLU 3 27.028 1.251 -30.197 15 2HB GLU 3 2HB GLU 3 25.330 1.559 -29.895 16 1HG GLU 3 1HG GLU 3 26.090 0.301 -27.540 17 2HG GLU 3 2HG GLU 3 27.553 1.169 -27.960 18 H SER 4 H SER 4 23.704 -1.565 -28.877 19 HA SER 4 HA SER 4 21.831 -0.442 -30.543 20 1HB SER 4 1HB SER 4 21.214 -2.282 -32.034 21 2HB SER 4 2HB SER 4 22.884 -1.833 -32.321 22 HG SER 4 HG SER 4 23.602 -3.718 -31.474 23 H SER 5 H SER 5 20.095 -0.466 -29.166 24 HA SER 5 HA SER 5 18.778 -2.621 -28.320 25 1HB SER 5 1HB SER 5 21.175 -2.158 -26.619 26 2HB SER 5 2HB SER 5 19.680 -2.354 -25.726 27 HG SER 5 HG SER 5 20.114 -4.447 -25.983 28 H LYS 6 H LYS 6 16.814 -1.781 -27.681 29 HA LYS 6 HA LYS 6 16.528 0.221 -25.772 30 1HB LYS 6 1HB LYS 6 17.487 1.387 -28.030 31 2HB LYS 6 2HB LYS 6 15.767 1.476 -28.350 32 1HG LYS 6 1HG LYS 6 15.415 2.535 -26.100 33 2HG LYS 6 2HG LYS 6 17.140 2.467 -25.806 34 1HD LYS 6 1HD LYS 6 17.547 3.916 -27.801 35 2HD LYS 6 2HD LYS 6 15.824 3.968 -28.120 36 1HE LYS 6 1HE LYS 6 15.391 5.417 -26.356 37 2HE LYS 6 2HE LYS 6 16.659 4.749 -25.349 38 1HZ LYS 6 1HZ LYS 6 17.500 6.120 -27.747 39 2HZ LYS 6 2HZ LYS 6 16.890 7.049 -26.551 40 3HZ LYS 6 3HZ LYS 6 18.186 6.098 -26.266 41 H ALA 7 H ALA 7 15.195 -1.767 -25.341 42 HA ALA 7 HA ALA 7 12.511 -1.236 -25.956 43 1HB ALA 7 2HB ALA 7 13.913 -2.735 -27.949 44 2HB ALA 7 3HB ALA 7 12.814 -3.851 -27.103 45 3HB ALA 7 1HB ALA 7 12.173 -2.374 -27.861 46 H VAL 8 H VAL 8 12.453 -1.353 -23.653 47 HA VAL 8 HA VAL 8 13.495 -3.125 -21.976 48 HB VAL 8 HB VAL 8 12.211 -1.668 -20.857 49 1HG1 VAL 8 2HG1 VAL 8 10.665 -1.633 -23.349 50 2HG1 VAL 8 3HG1 VAL 8 9.662 -1.395 -21.898 51 3HG1 VAL 8 1HG1 VAL 8 11.041 -0.315 -22.214 52 1HG2 VAL 8 3HG2 VAL 8 10.242 -3.940 -21.268 53 2HG2 VAL 8 1HG2 VAL 8 11.445 -3.770 -19.967 54 3HG2 VAL 8 2HG2 VAL 8 10.059 -2.658 -20.047 55 H LYS 9 H LYS 9 10.228 -3.725 -23.467 56 HA LYS 9 HA LYS 9 9.324 -5.594 -24.246 57 1HB LYS 9 1HB LYS 9 12.008 -6.046 -24.748 58 2HB LYS 9 2HB LYS 9 11.549 -7.462 -23.827 59 1HG LYS 9 1HG LYS 9 9.536 -7.723 -25.378 60 2HG LYS 9 2HG LYS 9 10.191 -6.425 -26.356 61 1HD LYS 9 1HD LYS 9 12.403 -8.078 -26.086 62 2HD LYS 9 2HD LYS 9 11.097 -9.246 -26.110 63 1HE LYS 9 1HE LYS 9 10.480 -7.352 -28.156 64 2HE LYS 9 2HE LYS 9 12.194 -7.686 -28.316 65 1HZ LYS 9 2HZ LYS 9 11.598 -10.066 -28.232 66 2HZ LYS 9 3HZ LYS 9 10.018 -9.656 -28.294 67 3HZ LYS 9 1HZ LYS 9 11.007 -9.288 -29.541 68 H TYR 10 H TYR 10 11.560 -6.282 -21.469 69 HA TYR 10 HA TYR 10 9.213 -7.269 -20.019 70 1HB TYR 10 1HB TYR 10 11.577 -8.737 -19.265 71 2HB TYR 10 2HB TYR 10 10.179 -9.380 -20.104 72 HD1 TYR 10 HD1 TYR 10 10.297 -9.999 -22.398 73 HD2 TYR 10 HD2 TYR 10 13.495 -7.776 -20.629 74 HE1 TYR 10 HE1 TYR 10 11.729 -10.405 -24.459 75 HE2 TYR 10 HE2 TYR 10 14.916 -8.189 -22.696 76 HH TYR 10 HH TYR 10 14.507 -10.461 -24.737 77 H TYR 11 H TYR 11 9.036 -6.351 -18.033 78 HA TYR 11 HA TYR 11 11.508 -5.338 -16.810 79 1HB TYR 11 1HB TYR 11 9.114 -3.978 -17.844 80 2HB TYR 11 2HB TYR 11 9.174 -3.762 -16.106 81 HD1 TYR 11 HD1 TYR 11 12.288 -3.786 -15.945 82 HD2 TYR 11 HD2 TYR 11 9.501 -1.671 -18.408 83 HE1 TYR 11 HE1 TYR 11 13.969 -1.901 -16.239 84 HE2 TYR 11 HE2 TYR 11 11.190 0.207 -18.695 85 HH TYR 11 HH TYR 11 13.065 1.084 -17.838 86 H THR 12 H THR 12 11.130 -4.820 -14.400 87 HA THR 12 HA THR 12 9.418 -6.947 -13.298 88 HB THR 12 HB THR 12 11.061 -7.070 -11.507 89 HG1 THR 12 HG1 THR 12 12.339 -4.821 -12.874 90 1HG2 THR 12 2HG2 THR 12 12.511 -6.558 -14.157 91 2HG2 THR 12 3HG2 THR 12 13.258 -7.297 -12.720 92 3HG2 THR 12 1HG2 THR 12 11.939 -8.138 -13.569 93 H LEU 13 H LEU 13 8.246 -6.539 -11.326 94 HA LEU 13 HA LEU 13 6.693 -4.314 -11.404 95 1HB LEU 13 1HB LEU 13 7.314 -6.419 -9.446 96 2HB LEU 13 2HB LEU 13 6.684 -4.943 -8.743 97 HG LEU 13 HG LEU 13 5.360 -6.788 -10.728 98 1HD1 LEU 13 2HD1 LEU 13 5.244 -6.481 -7.919 99 2HD1 LEU 13 3HD1 LEU 13 3.698 -5.889 -8.571 100 3HD1 LEU 13 1HD1 LEU 13 4.255 -7.534 -8.959 101 1HD2 LEU 13 2HD2 LEU 13 4.939 -3.877 -10.375 102 2HD2 LEU 13 3HD2 LEU 13 4.602 -4.935 -11.767 103 3HD2 LEU 13 1HD2 LEU 13 3.474 -4.888 -10.391 104 H GLU 14 H GLU 14 9.893 -4.745 -9.863 105 HA GLU 14 HA GLU 14 9.803 -2.361 -8.419 106 1HB GLU 14 1HB GLU 14 11.613 -4.525 -8.805 107 2HB GLU 14 2HB GLU 14 12.508 -3.075 -9.214 108 1HG GLU 14 1HG GLU 14 12.808 -2.759 -6.986 109 2HG GLU 14 2HG GLU 14 11.114 -2.318 -6.903 110 H GLU 15 H GLU 15 11.272 -3.220 -11.627 111 HA GLU 15 HA GLU 15 12.362 -0.791 -12.182 112 1HB GLU 15 1HB GLU 15 11.176 -2.947 -13.958 113 2HB GLU 15 2HB GLU 15 11.893 -1.508 -14.651 114 1HG GLU 15 1HG GLU 15 13.410 -3.154 -12.593 115 2HG GLU 15 2HG GLU 15 13.411 -3.616 -14.283 116 H ILE 16 H ILE 16 8.967 -1.892 -12.465 117 HA ILE 16 HA ILE 16 8.148 0.466 -13.866 118 HB ILE 16 HB ILE 16 6.397 -1.533 -12.450 119 1HG1 ILE 16 1HG1 ILE 16 6.930 -1.982 -15.314 120 2HG1 ILE 16 2HG1 ILE 16 8.315 -2.270 -14.278 121 1HG2 ILE 16 3HG2 ILE 16 5.875 0.792 -13.971 122 2HG2 ILE 16 1HG2 ILE 16 5.441 -0.600 -14.991 123 3HG2 ILE 16 2HG2 ILE 16 4.717 -0.422 -13.376 124 1HD1 ILE 16 3HD1 ILE 16 6.013 -3.393 -12.964 125 2HD1 ILE 16 1HD1 ILE 16 6.003 -3.937 -14.659 126 3HD1 ILE 16 2HD1 ILE 16 7.425 -4.245 -13.633 127 H GLN 17 H GLN 17 8.374 -0.669 -10.493 128 HA GLN 17 HA GLN 17 6.724 1.313 -9.430 129 1HB GLN 17 1HB GLN 17 7.846 -0.938 -8.436 130 2HB GLN 17 2HB GLN 17 9.001 0.219 -7.807 131 1HG GLN 17 1HG GLN 17 6.462 1.390 -7.318 132 2HG GLN 17 2HG GLN 17 6.255 -0.307 -6.936 133 1HE2 GLN 17 1HE2 GLN 17 6.277 1.986 -5.175 134 2HE2 GLN 17 2HE2 GLN 17 7.536 1.749 -4.008 135 H LYS 18 H LYS 18 10.156 1.199 -10.376 136 HA LYS 18 HA LYS 18 10.894 3.552 -8.977 137 1HB LYS 18 1HB LYS 18 12.229 2.196 -11.338 138 2HB LYS 18 2HB LYS 18 12.956 3.389 -10.280 139 1HG LYS 18 1HG LYS 18 11.754 0.888 -9.069 140 2HG LYS 18 2HG LYS 18 13.325 0.788 -9.838 141 1HD LYS 18 1HD LYS 18 12.587 2.729 -7.595 142 2HD LYS 18 2HD LYS 18 13.506 1.251 -7.388 143 1HE LYS 18 1HE LYS 18 15.115 2.265 -9.214 144 2HE LYS 18 2HE LYS 18 14.326 3.786 -8.846 145 1HZ LYS 18 3HZ LYS 18 15.543 2.065 -6.801 146 2HZ LYS 18 1HZ LYS 18 16.315 3.318 -7.508 147 3HZ LYS 18 2HZ LYS 18 14.987 3.587 -6.598 148 H HIS 19 H HIS 19 9.404 2.812 -12.115 149 HA HIS 19 HA HIS 19 9.763 5.560 -12.962 150 1HB HIS 19 1HB HIS 19 8.899 3.006 -14.265 151 2HB HIS 19 2HB HIS 19 8.352 4.520 -14.958 152 HD1 HIS 19 HD1 HIS 19 9.788 4.695 -17.024 153 HD2 HIS 19 HD2 HIS 19 12.024 3.852 -13.575 154 HE1 HIS 19 HE1 HIS 19 12.242 4.829 -17.712 155 HE2 HIS 19 HE2 HIS 19 13.566 4.356 -15.539 156 H ASN 20 H ASN 20 8.468 6.766 -11.529 157 HA ASN 20 HA ASN 20 5.639 6.371 -12.005 158 1HB ASN 20 1HB ASN 20 5.949 5.320 -9.831 159 2HB ASN 20 2HB ASN 20 6.998 6.612 -9.279 160 1HD2 ASN 20 1HD2 ASN 20 4.061 7.039 -11.169 161 2HD2 ASN 20 2HD2 ASN 20 3.115 7.841 -9.961 162 H ASN 21 H ASN 21 7.857 8.250 -12.907 163 HA ASN 21 HA ASN 21 6.970 10.695 -11.608 164 1HB ASN 21 1HB ASN 21 9.491 9.817 -12.997 165 2HB ASN 21 2HB ASN 21 9.035 11.494 -13.228 166 1HD2 ASN 21 1HD2 ASN 21 10.838 9.506 -11.413 167 2HD2 ASN 21 2HD2 ASN 21 10.929 10.369 -9.915 168 H SER 22 H SER 22 6.854 12.654 -13.244 169 HA SER 22 HA SER 22 5.029 11.960 -15.241 170 1HB SER 22 1HB SER 22 4.990 14.338 -15.756 171 2HB SER 22 2HB SER 22 5.064 14.144 -14.017 172 HG SER 22 HG SER 22 6.897 15.236 -13.999 173 H LYS 23 H LYS 23 8.400 11.666 -15.123 174 HA LYS 23 HA LYS 23 8.624 12.002 -18.032 175 1HB LYS 23 1HB LYS 23 10.912 12.507 -17.760 176 2HB LYS 23 2HB LYS 23 10.069 13.455 -16.551 177 1HG LYS 23 1HG LYS 23 10.581 11.037 -15.220 178 2HG LYS 23 2HG LYS 23 12.022 11.268 -16.191 179 1HD LYS 23 1HD LYS 23 11.339 13.823 -15.052 180 2HD LYS 23 2HD LYS 23 11.251 12.638 -13.763 181 1HE LYS 23 1HE LYS 23 13.631 12.642 -15.648 182 2HE LYS 23 2HE LYS 23 13.567 13.788 -14.324 183 1HZ LYS 23 1HZ LYS 23 12.880 11.429 -13.194 184 2HZ LYS 23 2HZ LYS 23 14.055 11.005 -14.245 185 3HZ LYS 23 3HZ LYS 23 14.349 12.138 -13.108 186 H SER 24 H SER 24 8.275 9.760 -15.489 187 HA SER 24 HA SER 24 9.036 7.664 -17.317 188 1HB SER 24 1HB SER 24 10.517 8.338 -14.864 189 2HB SER 24 2HB SER 24 9.945 6.683 -14.846 190 HG SER 24 HG SER 24 10.872 6.813 -17.245 191 H THR 25 H THR 25 6.516 7.971 -17.206 192 HA THR 25 HA THR 25 5.365 6.778 -14.807 193 HB THR 25 HB THR 25 3.632 7.508 -17.115 194 HG1 THR 25 HG1 THR 25 4.227 9.786 -16.820 195 1HG2 THR 25 1HG2 THR 25 3.764 7.885 -14.142 196 2HG2 THR 25 2HG2 THR 25 3.016 9.216 -15.058 197 3HG2 THR 25 3HG2 THR 25 2.353 7.570 -15.178 198 H TRP 26 H TRP 26 5.825 4.618 -14.752 199 HA TRP 26 HA TRP 26 4.952 3.112 -17.123 200 1HB TRP 26 1HB TRP 26 7.352 2.907 -15.419 201 2HB TRP 26 2HB TRP 26 6.558 1.385 -15.769 202 HD1 TRP 26 HD1 TRP 26 7.468 0.278 -17.945 203 HE1 TRP 26 HE1 TRP 26 8.596 1.002 -20.218 204 HE3 TRP 26 HE3 TRP 26 7.264 5.282 -17.061 205 HZ2 TRP 26 HZ2 TRP 26 9.261 3.529 -21.367 206 HZ3 TRP 26 HZ3 TRP 26 8.174 6.808 -18.810 207 HH2 TRP 26 HH2 TRP 26 9.147 6.005 -20.903 208 H LEU 27 H LEU 27 3.514 1.374 -16.751 209 HA LEU 27 HA LEU 27 2.881 0.687 -14.016 210 1HB LEU 27 1HB LEU 27 0.754 1.458 -13.911 211 2HB LEU 27 2HB LEU 27 1.518 2.754 -14.812 212 HG LEU 27 HG LEU 27 -0.420 2.469 -16.005 213 1HD1 LEU 27 3HD1 LEU 27 1.796 1.924 -17.341 214 2HD1 LEU 27 1HD1 LEU 27 1.007 0.340 -17.541 215 3HD1 LEU 27 2HD1 LEU 27 0.193 1.817 -18.109 216 1HD2 LEU 27 3HD2 LEU 27 -0.510 -0.053 -14.713 217 2HD2 LEU 27 1HD2 LEU 27 -1.804 0.787 -15.601 218 3HD2 LEU 27 2HD2 LEU 27 -0.725 -0.340 -16.457 219 H ILE 28 H ILE 28 1.025 -1.086 -14.114 220 HA ILE 28 HA ILE 28 1.735 -2.815 -16.378 221 HB ILE 28 HB ILE 28 0.584 -3.973 -13.910 222 1HG1 ILE 28 1HG1 ILE 28 2.270 -2.137 -13.220 223 2HG1 ILE 28 2HG1 ILE 28 2.427 -3.740 -12.528 224 1HG2 ILE 28 1HG2 ILE 28 2.336 -4.746 -16.155 225 2HG2 ILE 28 2HG2 ILE 28 2.788 -5.424 -14.572 226 3HG2 ILE 28 3HG2 ILE 28 1.156 -5.701 -15.227 227 1HD1 ILE 28 2HD1 ILE 28 3.893 -3.289 -15.099 228 2HD1 ILE 28 3HD1 ILE 28 4.504 -2.411 -13.676 229 3HD1 ILE 28 1HD1 ILE 28 4.393 -4.188 -13.646 230 H LEU 29 H LEU 29 0.119 -3.719 -17.632 231 HA LEU 29 HA LEU 29 -2.628 -3.248 -16.763 232 1HB LEU 29 1HB LEU 29 -1.401 -1.567 -18.551 233 2HB LEU 29 2HB LEU 29 -2.160 -2.734 -19.615 234 HG LEU 29 HG LEU 29 -3.401 -0.736 -17.776 235 1HD1 LEU 29 3HD1 LEU 29 -3.123 -0.462 -20.280 236 2HD1 LEU 29 1HD1 LEU 29 -4.345 -1.742 -20.465 237 3HD1 LEU 29 2HD1 LEU 29 -4.765 -0.223 -19.636 238 1HD2 LEU 29 3HD2 LEU 29 -4.517 -3.474 -18.318 239 2HD2 LEU 29 1HD2 LEU 29 -4.488 -2.536 -16.804 240 3HD2 LEU 29 2HD2 LEU 29 -5.601 -2.077 -18.116 241 H HIS 30 H HIS 30 -3.539 -5.225 -16.675 242 HA HIS 30 HA HIS 30 -4.260 -7.191 -17.370 243 1HB HIS 30 1HB HIS 30 -2.676 -7.110 -19.919 244 2HB HIS 30 2HB HIS 30 -4.233 -7.848 -19.602 245 HD1 HIS 30 HD1 HIS 30 -2.845 -5.066 -21.326 246 HD2 HIS 30 HD2 HIS 30 -6.250 -5.604 -18.935 247 HE1 HIS 30 HE1 HIS 30 -4.431 -3.150 -21.899 248 HE2 HIS 30 HE2 HIS 30 -6.527 -3.565 -20.438 249 H TYR 31 H TYR 31 -0.796 -6.446 -17.981 250 HA TYR 31 HA TYR 31 0.277 -8.089 -16.151 251 1HB TYR 31 1HB TYR 31 -0.313 -10.201 -16.953 252 2HB TYR 31 2HB TYR 31 -0.925 -9.519 -18.447 253 HD1 TYR 31 HD1 TYR 31 2.361 -10.259 -16.787 254 HD2 TYR 31 HD2 TYR 31 0.129 -10.101 -20.433 255 HE1 TYR 31 HE1 TYR 31 4.343 -11.232 -18.049 256 HE2 TYR 31 HE2 TYR 31 2.117 -11.074 -21.684 257 HH TYR 31 HH TYR 31 4.163 -11.745 -21.564 258 H LYS 32 H LYS 32 0.326 -6.320 -19.085 259 HA LYS 32 HA LYS 32 3.232 -6.607 -19.309 260 1HB LYS 32 1HB LYS 32 1.363 -5.254 -21.266 261 2HB LYS 32 2HB LYS 32 3.026 -5.739 -21.526 262 1HG LYS 32 1HG LYS 32 2.331 -7.780 -22.218 263 2HG LYS 32 2HG LYS 32 1.619 -8.078 -20.644 264 1HD LYS 32 1HD LYS 32 -0.505 -7.677 -21.394 265 2HD LYS 32 2HD LYS 32 -0.020 -6.254 -22.295 266 1HE LYS 32 1HE LYS 32 0.971 -7.799 -24.066 267 2HE LYS 32 2HE LYS 32 0.288 -9.157 -23.195 268 1HZ LYS 32 2HZ LYS 32 -1.782 -7.453 -23.431 269 2HZ LYS 32 3HZ LYS 32 -1.014 -7.265 -24.859 270 3HZ LYS 32 1HZ LYS 32 -1.509 -8.747 -24.389 271 H VAL 33 H VAL 33 4.340 -4.416 -19.955 272 HA VAL 33 HA VAL 33 3.353 -2.432 -18.030 273 HB VAL 33 HB VAL 33 5.817 -1.645 -18.306 274 1HG1 VAL 33 2HG1 VAL 33 4.795 -4.003 -16.738 275 2HG1 VAL 33 3HG1 VAL 33 6.499 -3.507 -16.605 276 3HG1 VAL 33 1HG1 VAL 33 5.203 -2.363 -16.182 277 1HG2 VAL 33 2HG2 VAL 33 6.362 -3.116 -20.203 278 2HG2 VAL 33 3HG2 VAL 33 7.409 -3.440 -18.800 279 3HG2 VAL 33 1HG2 VAL 33 6.065 -4.543 -19.181 280 H TYR 34 H TYR 34 2.927 -0.339 -18.691 281 HA TYR 34 HA TYR 34 3.418 0.208 -21.540 282 1HB TYR 34 1HB TYR 34 1.090 1.066 -19.714 283 2HB TYR 34 2HB TYR 34 1.191 1.370 -21.437 284 HD1 TYR 34 HD1 TYR 34 1.292 -1.548 -19.071 285 HD2 TYR 34 HD2 TYR 34 -0.025 -0.018 -22.843 286 HE1 TYR 34 HE1 TYR 34 0.061 -3.724 -19.532 287 HE2 TYR 34 HE2 TYR 34 -1.252 -2.199 -23.291 288 HH TYR 34 HH TYR 34 -1.614 -4.228 -22.619 289 H ASP 35 H ASP 35 3.926 2.385 -22.098 290 HA ASP 35 HA ASP 35 5.210 3.757 -19.962 291 1HB ASP 35 1HB ASP 35 6.251 3.672 -22.185 292 2HB ASP 35 2HB ASP 35 4.832 4.386 -22.925 293 H LEU 36 H LEU 36 3.378 4.448 -18.622 294 HA LEU 36 HA LEU 36 1.092 5.670 -19.564 295 1HB LEU 36 1HB LEU 36 2.584 5.709 -16.968 296 2HB LEU 36 2HB LEU 36 1.205 6.766 -17.191 297 HG LEU 36 HG LEU 36 1.313 3.784 -16.989 298 1HD1 LEU 36 3HD1 LEU 36 0.371 5.920 -15.406 299 2HD1 LEU 36 1HD1 LEU 36 -1.068 5.044 -15.981 300 3HD1 LEU 36 2HD1 LEU 36 0.212 4.172 -15.104 301 1HD2 LEU 36 1HD2 LEU 36 -0.651 5.323 -18.675 302 2HD2 LEU 36 2HD2 LEU 36 0.222 3.816 -19.046 303 3HD2 LEU 36 3HD2 LEU 36 -1.112 3.806 -17.867 304 H THR 37 H THR 37 4.393 6.875 -19.283 305 HA THR 37 HA THR 37 3.836 9.620 -19.208 306 HB THR 37 HB THR 37 6.118 7.783 -19.747 307 HG1 THR 37 HG1 THR 37 7.001 9.618 -18.386 308 1HG2 THR 37 2HG2 THR 37 6.078 10.665 -20.786 309 2HG2 THR 37 3HG2 THR 37 7.547 9.686 -20.564 310 3HG2 THR 37 1HG2 THR 37 6.333 9.206 -21.773 311 H LYS 38 H LYS 38 3.083 7.318 -21.609 312 HA LYS 38 HA LYS 38 3.187 9.356 -23.706 313 1HB LYS 38 1HB LYS 38 3.372 6.410 -23.633 314 2HB LYS 38 2HB LYS 38 2.371 7.042 -24.925 315 1HG LYS 38 1HG LYS 38 5.123 8.211 -24.368 316 2HG LYS 38 2HG LYS 38 4.938 6.779 -25.360 317 1HD LYS 38 1HD LYS 38 3.067 8.332 -26.559 318 2HD LYS 38 2HD LYS 38 4.088 9.607 -25.926 319 1HE LYS 38 1HE LYS 38 5.540 9.283 -27.636 320 2HE LYS 38 2HE LYS 38 5.858 7.664 -27.050 321 1HZ LYS 38 2HZ LYS 38 3.542 8.303 -28.732 322 2HZ LYS 38 3HZ LYS 38 4.977 7.819 -29.344 323 3HZ LYS 38 1HZ LYS 38 4.127 6.823 -28.369 324 H PHE 39 H PHE 39 1.109 7.932 -21.366 325 HA PHE 39 HA PHE 39 -1.260 8.455 -22.980 326 1HB PHE 39 1HB PHE 39 -0.841 7.337 -20.143 327 2HB PHE 39 2HB PHE 39 -2.361 7.309 -21.014 328 HD1 PHE 39 HD1 PHE 39 -2.926 5.436 -22.263 329 HD2 PHE 39 HD2 PHE 39 1.154 6.098 -21.293 330 HE1 PHE 39 HE1 PHE 39 -2.333 3.196 -23.229 331 HE2 PHE 39 HE2 PHE 39 1.746 3.859 -22.259 332 HZ PHE 39 HZ PHE 39 -0.003 2.434 -23.215 333 H LEU 40 H LEU 40 0.783 9.929 -20.592 334 HA LEU 40 HA LEU 40 -0.967 11.324 -19.022 335 1HB LEU 40 1HB LEU 40 1.785 11.310 -19.588 336 2HB LEU 40 2HB LEU 40 1.269 12.971 -19.813 337 HG LEU 40 HG LEU 40 0.222 12.876 -17.519 338 1HD1 LEU 40 1HD1 LEU 40 1.435 10.140 -17.611 339 2HD1 LEU 40 2HD1 LEU 40 1.395 11.024 -16.066 340 3HD1 LEU 40 3HD1 LEU 40 -0.120 10.682 -16.938 341 1HD2 LEU 40 3HD2 LEU 40 3.110 12.852 -18.164 342 2HD2 LEU 40 1HD2 LEU 40 2.120 14.076 -17.337 343 3HD2 LEU 40 2HD2 LEU 40 2.694 12.648 -16.445 344 H GLU 41 H GLU 41 -0.525 11.504 -22.458 345 HA GLU 41 HA GLU 41 -1.679 14.157 -22.534 346 1HB GLU 41 1HB GLU 41 -1.308 13.865 -25.055 347 2HB GLU 41 2HB GLU 41 0.135 13.917 -24.063 348 1HG GLU 41 1HG GLU 41 0.622 11.667 -24.391 349 2HG GLU 41 2HG GLU 41 -1.065 11.204 -24.510 350 H GLU 42 H GLU 42 -2.427 10.729 -23.111 351 HA GLU 42 HA GLU 42 -5.045 11.540 -24.093 352 1HB GLU 42 1HB GLU 42 -3.214 9.386 -24.783 353 2HB GLU 42 2HB GLU 42 -4.755 8.714 -24.289 354 1HG GLU 42 1HG GLU 42 -5.056 11.074 -26.047 355 2HG GLU 42 2HG GLU 42 -4.159 9.776 -26.812 356 H HIS 43 H HIS 43 -6.292 11.923 -22.267 357 HA HIS 43 HA HIS 43 -7.381 9.846 -20.894 358 1HB HIS 43 1HB HIS 43 -4.788 10.099 -19.997 359 2HB HIS 43 2HB HIS 43 -5.673 11.050 -18.822 360 HD1 HIS 43 HD1 HIS 43 -4.405 7.834 -19.034 361 HD2 HIS 43 HD2 HIS 43 -8.248 9.276 -18.169 362 HE1 HIS 43 HE1 HIS 43 -5.598 5.971 -17.762 363 HE2 HIS 43 HE2 HIS 43 -7.933 6.936 -17.209 364 HA PRO 44 HA PRO 44 -9.684 13.493 -20.186 365 1HB PRO 44 1HB PRO 44 -12.040 12.287 -19.504 366 2HB PRO 44 2HB PRO 44 -11.570 12.601 -21.162 367 1HG PRO 44 1HG PRO 44 -11.577 10.037 -19.692 368 2HG PRO 44 2HG PRO 44 -11.528 10.311 -21.423 369 1HD PRO 44 1HD PRO 44 -9.330 9.557 -19.739 370 2HD PRO 44 2HD PRO 44 -9.258 9.944 -21.448 371 H GLY 45 H GLY 45 -8.412 11.418 -18.027 372 1HA GLY 45 2HA GLY 45 -8.632 11.236 -15.727 373 2HA GLY 45 1HA GLY 45 -9.792 12.551 -15.713 374 H GLY 46 H GLY 46 -6.333 12.005 -16.723 375 1HA GLY 46 2HA GLY 46 -5.557 14.296 -15.067 376 2HA GLY 46 1HA GLY 46 -5.207 14.360 -16.783 377 H GLU 47 H GLU 47 -2.898 14.426 -16.178 378 HA GLU 47 HA GLU 47 -1.533 12.234 -16.661 379 1HB GLU 47 1HB GLU 47 -0.633 14.222 -14.536 380 2HB GLU 47 2HB GLU 47 0.397 13.264 -15.582 381 1HG GLU 47 1HG GLU 47 0.386 15.030 -17.012 382 2HG GLU 47 2HG GLU 47 -1.263 14.587 -17.404 383 H GLU 48 H GLU 48 -2.377 13.303 -13.287 384 HA GLU 48 HA GLU 48 -1.259 11.327 -11.888 385 1HB GLU 48 1HB GLU 48 -3.281 13.280 -11.460 386 2HB GLU 48 2HB GLU 48 -3.954 11.772 -10.871 387 1HG GLU 48 1HG GLU 48 -2.545 11.720 -9.080 388 2HG GLU 48 2HG GLU 48 -1.142 12.068 -10.068 389 H VAL 49 H VAL 49 -4.500 11.199 -13.512 390 HA VAL 49 HA VAL 49 -5.474 8.853 -12.724 391 HB VAL 49 HB VAL 49 -6.203 10.538 -14.554 392 1HG1 VAL 49 1HG1 VAL 49 -4.105 9.599 -15.953 393 2HG1 VAL 49 2HG1 VAL 49 -5.361 8.485 -16.541 394 3HG1 VAL 49 3HG1 VAL 49 -5.575 10.243 -16.723 395 1HG2 VAL 49 3HG2 VAL 49 -6.790 7.584 -14.452 396 2HG2 VAL 49 1HG2 VAL 49 -7.790 8.958 -13.922 397 3HG2 VAL 49 2HG2 VAL 49 -7.588 8.623 -15.659 398 H LEU 50 H LEU 50 -2.545 9.356 -14.676 399 HA LEU 50 HA LEU 50 -2.247 6.440 -14.830 400 1HB LEU 50 1HB LEU 50 -0.849 8.546 -16.478 401 2HB LEU 50 2HB LEU 50 -0.764 6.809 -16.689 402 HG LEU 50 HG LEU 50 -3.511 7.823 -16.807 403 1HD1 LEU 50 3HD1 LEU 50 -1.555 9.447 -18.056 404 2HD1 LEU 50 1HD1 LEU 50 -2.389 8.541 -19.342 405 3HD1 LEU 50 2HD1 LEU 50 -3.326 9.535 -18.201 406 1HD2 LEU 50 2HD2 LEU 50 -2.277 5.565 -17.572 407 2HD2 LEU 50 3HD2 LEU 50 -3.785 6.156 -18.311 408 3HD2 LEU 50 1HD2 LEU 50 -2.223 6.462 -19.108 409 H ARG 51 H ARG 51 -0.653 9.559 -13.989 410 HA ARG 51 HA ARG 51 1.742 8.419 -13.211 411 1HB ARG 51 1HB ARG 51 0.865 10.968 -13.514 412 2HB ARG 51 2HB ARG 51 0.711 10.861 -11.771 413 1HG ARG 51 1HG ARG 51 3.250 9.706 -12.455 414 2HG ARG 51 2HG ARG 51 3.115 11.203 -13.356 415 1HD ARG 51 1HD ARG 51 2.345 12.281 -11.104 416 2HD ARG 51 2HD ARG 51 2.936 10.820 -10.339 417 HE ARG 51 HE ARG 51 4.954 11.840 -12.116 418 1HH1 ARG 51 2HH1 ARG 51 6.779 12.924 -11.273 419 2HH1 ARG 51 1HH1 ARG 51 6.734 13.577 -9.670 420 1HH2 ARG 51 2HH2 ARG 51 3.433 12.532 -9.019 421 2HH2 ARG 51 1HH2 ARG 51 4.818 13.353 -8.379 422 H GLU 52 H GLU 52 -1.203 9.386 -11.313 423 HA GLU 52 HA GLU 52 -0.255 8.726 -8.838 424 1HB GLU 52 1HB GLU 52 -2.725 9.516 -9.993 425 2HB GLU 52 2HB GLU 52 -3.083 8.051 -9.099 426 1HG GLU 52 1HG GLU 52 -1.462 10.321 -7.871 427 2HG GLU 52 2HG GLU 52 -3.214 10.299 -7.806 428 H GLN 53 H GLN 53 -1.033 6.664 -11.528 429 HA GLN 53 HA GLN 53 -1.246 4.378 -9.744 430 1HB GLN 53 1HB GLN 53 -2.111 3.154 -11.701 431 2HB GLN 53 2HB GLN 53 -3.039 4.616 -11.431 432 1HG GLN 53 1HG GLN 53 -1.906 5.781 -13.234 433 2HG GLN 53 2HG GLN 53 -0.692 4.524 -13.373 434 1HE2 GLN 53 1HE2 GLN 53 -4.031 5.403 -13.915 435 2HE2 GLN 53 2HE2 GLN 53 -4.434 4.159 -15.050 436 H ALA 54 H ALA 54 0.775 5.978 -12.166 437 HA ALA 54 HA ALA 54 2.353 3.894 -13.017 438 1HB ALA 54 2HB ALA 54 2.783 6.850 -12.567 439 2HB ALA 54 3HB ALA 54 4.129 5.822 -13.109 440 3HB ALA 54 1HB ALA 54 2.654 5.950 -14.097 441 H GLY 55 H GLY 55 3.931 2.628 -12.118 442 1HA GLY 55 2HA GLY 55 4.794 3.344 -9.378 443 2HA GLY 55 1HA GLY 55 5.833 2.596 -10.574 444 H GLY 56 H GLY 56 3.149 1.087 -11.455 445 1HA GLY 56 2HA GLY 56 2.591 -0.663 -9.268 446 2HA GLY 56 1HA GLY 56 3.724 -1.381 -10.395 447 H ASP 57 H ASP 57 1.341 -2.671 -10.148 448 HA ASP 57 HA ASP 57 0.350 -2.497 -12.767 449 1HB ASP 57 1HB ASP 57 -0.027 -4.648 -12.126 450 2HB ASP 57 2HB ASP 57 0.081 -4.235 -10.426 451 H ALA 58 H ALA 58 -1.557 -1.468 -13.509 452 HA ALA 58 HA ALA 58 -3.148 -0.106 -11.444 453 1HB ALA 58 1HB ALA 58 -1.636 1.046 -13.435 454 2HB ALA 58 2HB ALA 58 -3.235 0.938 -14.209 455 3HB ALA 58 3HB ALA 58 -3.051 1.803 -12.664 456 H THR 59 H THR 59 -3.026 -2.469 -13.978 457 HA THR 59 HA THR 59 -5.470 -2.376 -15.163 458 HB THR 59 HB THR 59 -3.335 -4.110 -15.070 459 HG1 THR 59 HG1 THR 59 -6.129 -4.521 -15.877 460 1HG2 THR 59 3HG2 THR 59 -5.761 -5.587 -13.920 461 2HG2 THR 59 1HG2 THR 59 -4.238 -6.332 -14.457 462 3HG2 THR 59 2HG2 THR 59 -4.256 -5.276 -13.023 463 H GLU 60 H GLU 60 -4.718 -3.483 -11.831 464 HA GLU 60 HA GLU 60 -7.117 -4.635 -11.263 465 1HB GLU 60 1HB GLU 60 -4.881 -3.447 -9.747 466 2HB GLU 60 2HB GLU 60 -6.402 -3.354 -8.883 467 1HG GLU 60 1HG GLU 60 -6.122 -5.978 -10.139 468 2HG GLU 60 2HG GLU 60 -4.714 -5.627 -9.157 469 H ASN 61 H ASN 61 -6.188 -1.162 -11.282 470 HA ASN 61 HA ASN 61 -8.763 -0.422 -10.277 471 1HB ASN 61 1HB ASN 61 -6.195 0.778 -10.371 472 2HB ASN 61 2HB ASN 61 -7.157 1.749 -11.466 473 1HD2 ASN 61 1HD2 ASN 61 -6.174 1.431 -8.372 474 2HD2 ASN 61 2HD2 ASN 61 -7.430 2.265 -7.518 475 H PHE 62 H PHE 62 -6.771 -0.087 -13.302 476 HA PHE 62 HA PHE 62 -8.536 1.330 -14.839 477 1HB PHE 62 1HB PHE 62 -6.545 0.952 -15.989 478 2HB PHE 62 2HB PHE 62 -6.241 -0.535 -15.114 479 HD1 PHE 62 HD1 PHE 62 -7.297 0.898 -18.213 480 HD2 PHE 62 HD2 PHE 62 -7.450 -2.644 -15.881 481 HE1 PHE 62 HE1 PHE 62 -7.869 -0.429 -20.266 482 HE2 PHE 62 HE2 PHE 62 -8.022 -3.971 -17.932 483 HZ PHE 62 HZ PHE 62 -8.225 -2.847 -20.101 484 H GLU 63 H GLU 63 -8.874 -1.902 -13.590 485 HA GLU 63 HA GLU 63 -10.679 -2.678 -15.685 486 1HB GLU 63 1HB GLU 63 -9.315 -4.003 -13.390 487 2HB GLU 63 2HB GLU 63 -10.911 -4.627 -13.756 488 1HG GLU 63 1HG GLU 63 -8.968 -4.178 -16.031 489 2HG GLU 63 2HG GLU 63 -8.752 -5.581 -15.003 490 H ASP 64 H ASP 64 -10.717 -1.402 -12.365 491 HA ASP 64 HA ASP 64 -13.387 -2.045 -11.841 492 1HB ASP 64 1HB ASP 64 -12.152 -1.519 -9.921 493 2HB ASP 64 2HB ASP 64 -11.314 -0.188 -10.694 494 H VAL 65 H VAL 65 -11.698 0.496 -13.635 495 HA VAL 65 HA VAL 65 -14.022 2.232 -13.662 496 HB VAL 65 HB VAL 65 -12.453 3.769 -13.847 497 1HG1 VAL 65 1HG1 VAL 65 -10.959 2.085 -12.770 498 2HG1 VAL 65 2HG1 VAL 65 -10.389 1.611 -14.388 499 3HG1 VAL 65 3HG1 VAL 65 -10.092 3.260 -13.787 500 1HG2 VAL 65 1HG2 VAL 65 -11.823 2.384 -16.468 501 2HG2 VAL 65 2HG2 VAL 65 -12.838 3.823 -16.200 502 3HG2 VAL 65 3HG2 VAL 65 -11.076 3.920 -15.967 503 H GLY 66 H GLY 66 -13.436 -0.650 -15.024 504 1HA GLY 66 2HA GLY 66 -15.328 -0.725 -16.895 505 2HA GLY 66 1HA GLY 66 -13.834 -1.631 -17.039 506 H HIS 67 H HIS 67 -11.873 -0.294 -17.939 507 HA HIS 67 HA HIS 67 -12.359 1.987 -19.458 508 1HB HIS 67 1HB HIS 67 -10.190 -0.082 -19.346 509 2HB HIS 67 2HB HIS 67 -10.188 1.084 -20.654 510 HD1 HIS 67 HD1 HIS 67 -10.173 1.005 -16.831 511 HD2 HIS 67 HD2 HIS 67 -9.117 3.536 -20.005 512 HE1 HIS 67 HE1 HIS 67 -8.964 2.996 -15.786 513 HE2 HIS 67 HE2 HIS 67 -8.292 4.489 -17.790 514 H SER 68 H SER 68 -11.639 1.782 -22.019 515 HA SER 68 HA SER 68 -13.677 -0.001 -23.078 516 1HB SER 68 1HB SER 68 -14.047 1.546 -24.800 517 2HB SER 68 2HB SER 68 -13.685 2.591 -23.441 518 HG SER 68 HG SER 68 -11.954 3.319 -24.461 519 H THR 69 H THR 69 -13.198 -1.114 -25.174 520 HA THR 69 HA THR 69 -10.739 -2.433 -25.111 521 HB THR 69 HB THR 69 -13.057 -2.157 -27.054 522 HG1 THR 69 HG1 THR 69 -12.925 -4.540 -26.419 523 1HG2 THR 69 2HG2 THR 69 -10.374 -3.526 -27.507 524 2HG2 THR 69 3HG2 THR 69 -11.868 -4.219 -28.181 525 3HG2 THR 69 1HG2 THR 69 -11.345 -2.587 -28.666 526 H ASP 70 H ASP 70 -11.638 0.677 -26.442 527 HA ASP 70 HA ASP 70 -9.594 0.742 -28.368 528 1HB ASP 70 1HB ASP 70 -11.635 2.208 -28.375 529 2HB ASP 70 2HB ASP 70 -11.040 3.024 -26.944 530 H ALA 71 H ALA 71 -10.042 1.984 -24.988 531 HA ALA 71 HA ALA 71 -7.653 3.368 -24.760 532 1HB ALA 71 3HB ALA 71 -8.121 2.474 -22.224 533 2HB ALA 71 1HB ALA 71 -8.996 3.828 -22.978 534 3HB ALA 71 2HB ALA 71 -9.716 2.200 -22.967 535 H ARG 72 H ARG 72 -8.455 -0.099 -24.101 536 HA ARG 72 HA ARG 72 -5.958 -0.746 -23.122 537 1HB ARG 72 1HB ARG 72 -7.864 -2.578 -24.663 538 2HB ARG 72 2HB ARG 72 -6.636 -3.091 -23.523 539 1HG ARG 72 1HG ARG 72 -7.826 -1.771 -21.716 540 2HG ARG 72 2HG ARG 72 -9.092 -1.394 -22.869 541 1HD ARG 72 1HD ARG 72 -9.666 -3.364 -21.421 542 2HD ARG 72 2HD ARG 72 -9.659 -3.767 -23.125 543 HE ARG 72 HE ARG 72 -7.060 -4.219 -21.877 544 1HH1 ARG 72 2HH1 ARG 72 -6.342 -6.374 -21.624 545 2HH1 ARG 72 1HH1 ARG 72 -7.466 -7.683 -21.768 546 1HH2 ARG 72 2HH2 ARG 72 -10.245 -5.617 -22.409 547 2HH2 ARG 72 1HH2 ARG 72 -9.701 -7.250 -22.218 548 H GLU 73 H GLU 73 -7.361 -0.813 -26.452 549 HA GLU 73 HA GLU 73 -5.224 -2.084 -27.663 550 1HB GLU 73 1HB GLU 73 -7.505 -0.352 -28.573 551 2HB GLU 73 2HB GLU 73 -6.195 -0.608 -29.709 552 1HG GLU 73 1HG GLU 73 -6.462 -3.027 -29.603 553 2HG GLU 73 2HG GLU 73 -7.567 -2.907 -28.247 554 H LEU 74 H LEU 74 -5.934 1.418 -27.102 555 HA LEU 74 HA LEU 74 -3.792 2.440 -28.536 556 1HB LEU 74 1HB LEU 74 -4.650 4.364 -27.883 557 2HB LEU 74 2HB LEU 74 -5.894 3.426 -27.078 558 HG LEU 74 HG LEU 74 -3.910 3.464 -25.174 559 1HD1 LEU 74 2HD1 LEU 74 -2.645 5.066 -26.664 560 2HD1 LEU 74 3HD1 LEU 74 -3.937 6.250 -26.350 561 3HD1 LEU 74 1HD1 LEU 74 -2.955 5.626 -25.003 562 1HD2 LEU 74 3HD2 LEU 74 -6.502 4.744 -25.629 563 2HD2 LEU 74 1HD2 LEU 74 -5.846 3.949 -24.178 564 3HD2 LEU 74 2HD2 LEU 74 -5.452 5.651 -24.516 565 H SER 75 H SER 75 -4.020 1.120 -25.208 566 HA SER 75 HA SER 75 -1.488 1.974 -24.426 567 1HB SER 75 1HB SER 75 -2.274 -0.537 -23.166 568 2HB SER 75 2HB SER 75 -2.123 1.058 -22.455 569 HG SER 75 HG SER 75 -4.318 0.181 -22.364 570 H LYS 76 H LYS 76 -2.688 -0.801 -26.302 571 HA LYS 76 HA LYS 76 -0.434 -2.442 -26.038 572 1HB LYS 76 1HB LYS 76 -1.558 -3.834 -27.414 573 2HB LYS 76 2HB LYS 76 -2.900 -2.762 -27.066 574 1HG LYS 76 1HG LYS 76 -3.021 -2.647 -29.365 575 2HG LYS 76 2HG LYS 76 -1.828 -1.385 -29.141 576 1HD LYS 76 1HD LYS 76 0.008 -3.022 -29.505 577 2HD LYS 76 2HD LYS 76 -1.159 -4.320 -29.663 578 1HE LYS 76 1HE LYS 76 -1.703 -2.013 -31.457 579 2HE LYS 76 2HE LYS 76 -0.163 -2.791 -31.766 580 1HZ LYS 76 3HZ LYS 76 -2.752 -4.175 -31.616 581 2HZ LYS 76 1HZ LYS 76 -1.943 -3.822 -32.990 582 3HZ LYS 76 2HZ LYS 76 -1.316 -4.889 -31.924 583 H THR 77 H THR 77 -1.099 0.477 -27.913 584 HA THR 77 HA THR 77 1.245 0.033 -29.584 585 HB THR 77 HB THR 77 -1.021 0.953 -30.406 586 HG1 THR 77 HG1 THR 77 0.380 1.826 -31.882 587 1HG2 THR 77 1HG2 THR 77 -0.252 3.028 -28.413 588 2HG2 THR 77 2HG2 THR 77 -0.627 3.677 -30.028 589 3HG2 THR 77 3HG2 THR 77 -1.839 2.709 -29.154 590 H PHE 78 H PHE 78 0.492 1.310 -26.499 591 HA PHE 78 HA PHE 78 2.820 3.084 -26.638 592 1HB PHE 78 1HB PHE 78 0.273 2.838 -24.983 593 2HB PHE 78 2HB PHE 78 1.653 3.626 -24.246 594 HD1 PHE 78 HD1 PHE 78 -0.086 5.530 -24.143 595 HD2 PHE 78 HD2 PHE 78 1.621 4.122 -27.763 596 HE1 PHE 78 HE1 PHE 78 -0.710 7.682 -25.273 597 HE2 PHE 78 HE2 PHE 78 0.997 6.274 -28.894 598 HZ PHE 78 HZ PHE 78 -0.161 8.029 -27.637 599 H ILE 79 H ILE 79 2.075 -0.074 -25.913 600 HA ILE 79 HA ILE 79 3.129 -0.440 -23.360 601 HB ILE 79 HB ILE 79 2.506 -2.100 -25.723 602 1HG1 ILE 79 1HG1 ILE 79 1.858 -2.074 -22.782 603 2HG1 ILE 79 2HG1 ILE 79 0.780 -1.885 -24.149 604 1HG2 ILE 79 2HG2 ILE 79 4.391 -3.082 -23.561 605 2HG2 ILE 79 3HG2 ILE 79 3.580 -4.101 -24.774 606 3HG2 ILE 79 1HG2 ILE 79 4.765 -2.878 -25.291 607 1HD1 ILE 79 1HD1 ILE 79 1.525 -4.316 -24.801 608 2HD1 ILE 79 2HD1 ILE 79 2.095 -4.414 -23.118 609 3HD1 ILE 79 3HD1 ILE 79 0.375 -4.108 -23.459 610 H ILE 80 H ILE 80 5.203 -0.822 -22.566 611 HA ILE 80 HA ILE 80 7.333 -0.165 -24.474 612 HB ILE 80 HB ILE 80 8.341 0.088 -21.897 613 1HG1 ILE 80 1HG1 ILE 80 6.606 1.814 -21.009 614 2HG1 ILE 80 2HG1 ILE 80 5.455 0.947 -22.005 615 1HG2 ILE 80 3HG2 ILE 80 7.512 1.917 -24.105 616 2HG2 ILE 80 1HG2 ILE 80 7.918 2.631 -22.525 617 3HG2 ILE 80 2HG2 ILE 80 9.114 1.633 -23.385 618 1HD1 ILE 80 2HD1 ILE 80 6.088 -1.192 -20.871 619 2HD1 ILE 80 3HD1 ILE 80 7.215 -0.284 -19.836 620 3HD1 ILE 80 1HD1 ILE 80 5.464 0.018 -19.725 621 H GLY 81 H GLY 81 6.078 -2.503 -22.119 622 1HA GLY 81 2HA GLY 81 8.277 -4.044 -21.572 623 2HA GLY 81 1HA GLY 81 7.775 -4.551 -23.172 624 H GLU 82 H GLU 82 7.693 -6.093 -20.632 625 HA GLU 82 HA GLU 82 4.890 -6.191 -20.012 626 1HB GLU 82 1HB GLU 82 6.172 -8.770 -20.946 627 2HB GLU 82 2HB GLU 82 4.469 -8.394 -20.772 628 1HG GLU 82 1HG GLU 82 4.700 -6.710 -22.655 629 2HG GLU 82 2HG GLU 82 6.360 -7.228 -22.869 630 H LEU 83 H LEU 83 4.447 -7.527 -18.082 631 HA LEU 83 HA LEU 83 6.432 -7.269 -16.151 632 1HB LEU 83 1HB LEU 83 3.904 -7.405 -15.904 633 2HB LEU 83 2HB LEU 83 4.076 -9.145 -16.027 634 HG LEU 83 HG LEU 83 4.396 -9.230 -13.836 635 1HD1 LEU 83 2HD1 LEU 83 6.850 -7.521 -14.328 636 2HD1 LEU 83 3HD1 LEU 83 6.509 -8.446 -12.845 637 3HD1 LEU 83 1HD1 LEU 83 6.759 -9.298 -14.388 638 1HD2 LEU 83 3HD2 LEU 83 4.533 -6.205 -13.911 639 2HD2 LEU 83 1HD2 LEU 83 3.107 -7.218 -13.578 640 3HD2 LEU 83 2HD2 LEU 83 4.463 -7.180 -12.423 641 H HIS 84 H HIS 84 8.268 -8.395 -15.825 642 HA HIS 84 HA HIS 84 8.742 -10.752 -17.328 643 1HB HIS 84 1HB HIS 84 10.271 -8.789 -16.005 644 2HB HIS 84 2HB HIS 84 10.644 -10.294 -15.188 645 HD1 HIS 84 HD1 HIS 84 13.059 -9.630 -16.428 646 HD2 HIS 84 HD2 HIS 84 9.961 -11.133 -18.824 647 HE1 HIS 84 HE1 HIS 84 14.156 -10.451 -18.582 648 HE2 HIS 84 HE2 HIS 84 12.210 -11.412 -19.991 649 HA PRO 85 HA PRO 85 7.965 -13.799 -14.327 650 1HB PRO 85 1HB PRO 85 10.232 -15.290 -14.000 651 2HB PRO 85 2HB PRO 85 9.167 -15.455 -15.382 652 1HG PRO 85 1HG PRO 85 11.817 -14.153 -15.232 653 2HG PRO 85 2HG PRO 85 10.943 -14.701 -16.647 654 1HD PRO 85 1HD PRO 85 11.215 -11.994 -15.738 655 2HD PRO 85 2HD PRO 85 10.245 -12.554 -17.087 656 H ASP 86 H ASP 86 9.404 -11.202 -13.406 657 HA ASP 86 HA ASP 86 10.468 -12.106 -10.929 658 1HB ASP 86 1HB ASP 86 11.540 -10.147 -11.513 659 2HB ASP 86 2HB ASP 86 10.159 -9.532 -12.398 660 H ASP 87 H ASP 87 7.404 -10.923 -12.274 661 HA ASP 87 HA ASP 87 6.075 -11.578 -9.864 662 1HB ASP 87 1HB ASP 87 6.455 -8.698 -10.704 663 2HB ASP 87 2HB ASP 87 4.927 -9.159 -9.982 664 H ARG 88 H ARG 88 5.563 -12.937 -12.020 665 HA ARG 88 HA ARG 88 3.934 -11.607 -13.904 666 1HB ARG 88 1HB ARG 88 4.599 -14.538 -13.377 667 2HB ARG 88 2HB ARG 88 3.480 -14.070 -14.641 668 1HG ARG 88 1HG ARG 88 6.315 -12.958 -14.431 669 2HG ARG 88 2HG ARG 88 5.910 -14.373 -15.383 670 1HD ARG 88 1HD ARG 88 4.875 -11.530 -15.780 671 2HD ARG 88 2HD ARG 88 5.896 -12.446 -16.871 672 HE ARG 88 HE ARG 88 3.005 -12.637 -16.645 673 1HH1 ARG 88 2HH1 ARG 88 1.893 -14.124 -17.977 674 2HH1 ARG 88 1HH1 ARG 88 2.761 -15.404 -18.757 675 1HH2 ARG 88 2HH2 ARG 88 5.894 -14.482 -17.439 676 2HH2 ARG 88 1HH2 ARG 88 5.052 -15.610 -18.449 677 H SER 89 H SER 89 2.881 -14.747 -12.583 678 HA SER 89 HA SER 89 0.256 -14.114 -12.492 679 1HB SER 89 1HB SER 89 1.093 -16.412 -12.328 680 2HB SER 89 2HB SER 89 1.818 -16.084 -10.767 681 HG SER 89 HG SER 89 -0.082 -16.344 -9.792 682 H LYS 90 H LYS 90 2.727 -12.802 -10.551 683 HA LYS 90 HA LYS 90 1.405 -12.590 -8.078 684 1HB LYS 90 1HB LYS 90 3.876 -11.691 -9.306 685 2HB LYS 90 2HB LYS 90 3.163 -10.409 -8.350 686 1HG LYS 90 1HG LYS 90 3.288 -11.630 -6.349 687 2HG LYS 90 2HG LYS 90 3.223 -13.182 -7.161 688 1HD LYS 90 1HD LYS 90 5.499 -13.243 -7.536 689 2HD LYS 90 2HD LYS 90 5.605 -11.521 -7.845 690 1HE LYS 90 1HE LYS 90 5.747 -10.975 -5.542 691 2HE LYS 90 2HE LYS 90 5.007 -12.480 -5.034 692 1HZ LYS 90 3HZ LYS 90 7.010 -13.603 -5.890 693 2HZ LYS 90 1HZ LYS 90 7.701 -12.146 -6.150 694 3HZ LYS 90 2HZ LYS 90 7.311 -12.605 -4.633 695 H ILE 91 H ILE 91 1.407 -10.632 -11.084 696 HA ILE 91 HA ILE 91 -0.901 -9.213 -9.991 697 HB ILE 91 HB ILE 91 -0.078 -7.140 -10.285 698 1HG1 ILE 91 1HG1 ILE 91 1.787 -8.197 -12.430 699 2HG1 ILE 91 2HG1 ILE 91 0.277 -7.347 -12.691 700 1HG2 ILE 91 1HG2 ILE 91 1.373 -8.265 -8.646 701 2HG2 ILE 91 2HG2 ILE 91 2.524 -8.656 -9.945 702 3HG2 ILE 91 3HG2 ILE 91 2.217 -6.958 -9.511 703 1HD1 ILE 91 3HD1 ILE 91 1.426 -5.501 -11.123 704 2HD1 ILE 91 1HD1 ILE 91 2.915 -6.283 -11.708 705 3HD1 ILE 91 2HD1 ILE 91 1.768 -5.572 -12.870 706 H THR 92 H THR 92 0.295 -11.320 -12.209 707 HA THR 92 HA THR 92 -0.395 -10.403 -14.700 708 HB THR 92 HB THR 92 0.589 -12.705 -13.696 709 HG1 THR 92 HG1 THR 92 -1.144 -12.405 -16.048 710 1HG2 THR 92 2HG2 THR 92 -2.329 -13.326 -14.397 711 2HG2 THR 92 3HG2 THR 92 -1.051 -14.536 -14.133 712 3HG2 THR 92 1HG2 THR 92 -1.600 -13.514 -12.783 713 H LYS 93 H LYS 93 -2.575 -11.953 -12.260 714 HA LYS 93 HA LYS 93 -4.848 -11.809 -13.878 715 1HB LYS 93 1HB LYS 93 -4.153 -12.703 -11.269 716 2HB LYS 93 2HB LYS 93 -5.521 -11.626 -11.091 717 1HG LYS 93 1HG LYS 93 -6.458 -12.984 -13.202 718 2HG LYS 93 2HG LYS 93 -5.329 -14.205 -12.653 719 1HD LYS 93 1HD LYS 93 -6.499 -13.575 -10.264 720 2HD LYS 93 2HD LYS 93 -7.829 -13.202 -11.340 721 1HE LYS 93 1HE LYS 93 -8.310 -15.413 -11.477 722 2HE LYS 93 2HE LYS 93 -6.769 -15.680 -12.270 723 1HZ LYS 93 1HZ LYS 93 -5.775 -15.817 -10.046 724 2HZ LYS 93 2HZ LYS 93 -7.259 -15.710 -9.374 725 3HZ LYS 93 3HZ LYS 93 -6.882 -16.990 -10.316 726 HA PRO 94 HA PRO 94 -5.702 -7.569 -13.680 727 1HB PRO 94 1HB PRO 94 -8.210 -7.581 -14.764 728 2HB PRO 94 2HB PRO 94 -6.748 -7.620 -15.730 729 1HG PRO 94 1HG PRO 94 -8.636 -9.815 -15.135 730 2HG PRO 94 2HG PRO 94 -7.436 -9.715 -16.407 731 1HD PRO 94 1HD PRO 94 -7.235 -11.225 -13.977 732 2HD PRO 94 2HD PRO 94 -5.992 -11.030 -15.195 733 H SER 95 H SER 95 -8.091 -9.808 -12.433 734 HA SER 95 HA SER 95 -8.143 -8.559 -9.981 735 1HB SER 95 1HB SER 95 -10.100 -7.244 -9.943 736 2HB SER 95 2HB SER 95 -9.340 -6.789 -11.454 737 HG SER 95 HG SER 95 -11.802 -7.534 -11.248 738 H GLU 96 H GLU 96 -10.721 -9.166 -9.045 739 HA GLU 96 HA GLU 96 -11.821 -11.464 -10.102 740 1HB GLU 96 1HB GLU 96 -11.036 -13.121 -8.337 741 2HB GLU 96 2HB GLU 96 -9.840 -12.697 -9.546 742 1HG GLU 96 1HG GLU 96 -8.489 -12.293 -7.741 743 2HG GLU 96 2HG GLU 96 -9.327 -10.755 -7.676 744 H SER 97 H SER 97 -10.932 -9.687 -7.090 745 HA SER 97 HA SER 97 -12.952 -10.470 -5.483 746 1HB SER 97 1HB SER 97 -10.992 -8.460 -5.479 747 2HB SER 97 2HB SER 97 -12.490 -7.565 -5.326 748 HG SER 97 HG SER 97 -11.251 -8.641 -3.339 749 H ILE 98 H ILE 98 -15.149 -9.906 -5.169 750 HA ILE 98 HA ILE 98 -16.277 -8.187 -7.268 751 HB ILE 98 HB ILE 98 -18.287 -9.594 -7.160 752 1HG1 ILE 98 1HG1 ILE 98 -17.016 -11.905 -5.909 753 2HG1 ILE 98 2HG1 ILE 98 -17.184 -10.567 -4.791 754 1HG2 ILE 98 3HG2 ILE 98 -15.702 -10.327 -8.251 755 2HG2 ILE 98 1HG2 ILE 98 -16.711 -11.759 -7.942 756 3HG2 ILE 98 2HG2 ILE 98 -17.325 -10.445 -8.972 757 1HD1 ILE 98 1HD1 ILE 98 -19.632 -10.371 -5.697 758 2HD1 ILE 98 2HD1 ILE 98 -19.356 -12.006 -6.345 759 3HD1 ILE 98 3HD1 ILE 98 -19.248 -11.714 -4.593 760 H ILE 99 H ILE 99 -18.863 -7.931 -6.272 761 HA ILE 99 HA ILE 99 -18.340 -6.612 -3.698 762 HB ILE 99 HB ILE 99 -20.144 -5.042 -4.367 763 1HG1 ILE 99 1HG1 ILE 99 -19.840 -6.245 -7.133 764 2HG1 ILE 99 2HG1 ILE 99 -21.182 -6.589 -6.060 765 1HG2 ILE 99 2HG2 ILE 99 -17.443 -5.070 -5.052 766 2HG2 ILE 99 3HG2 ILE 99 -18.278 -4.567 -6.542 767 3HG2 ILE 99 1HG2 ILE 99 -18.532 -3.663 -5.030 768 1HD1 ILE 99 3HD1 ILE 99 -20.666 -3.695 -6.301 769 2HD1 ILE 99 1HD1 ILE 99 -21.043 -4.463 -7.861 770 3HD1 ILE 99 2HD1 ILE 99 -22.187 -4.596 -6.505 771 H THR 100 H THR 100 -20.744 -6.162 -2.660 772 HA THR 100 HA THR 100 -22.426 -8.501 -2.984 773 HB THR 100 HB THR 100 -20.394 -8.880 -1.286 774 HG1 THR 100 HG1 THR 100 -23.185 -9.247 -0.477 775 1HG2 THR 100 1HG2 THR 100 -21.086 -6.724 0.020 776 2HG2 THR 100 2HG2 THR 100 -22.507 -7.660 0.546 777 3HG2 THR 100 3HG2 THR 100 -20.870 -8.212 0.974 778 H THR 101 H THR 101 -24.459 -7.803 -3.061 779 HA THR 101 HA THR 101 -25.035 -5.231 -1.771 780 HB THR 101 HB THR 101 -25.423 -5.576 -4.267 781 HG1 THR 101 HG1 THR 101 -27.028 -4.140 -3.764 782 1HG2 THR 101 1HG2 THR 101 -26.801 -7.941 -3.283 783 2HG2 THR 101 2HG2 THR 101 -27.985 -6.851 -4.042 784 3HG2 THR 101 3HG2 THR 101 -26.576 -7.418 -4.970 785 H ILE 102 H ILE 102 -27.321 -5.021 -0.864 786 HA ILE 102 HA ILE 102 -28.672 -7.296 0.026 787 HB ILE 102 HB ILE 102 -26.566 -7.565 1.336 788 1HG1 ILE 102 1HG1 ILE 102 -28.926 -8.379 1.979 789 2HG1 ILE 102 2HG1 ILE 102 -27.670 -8.399 3.202 790 1HG2 ILE 102 1HG2 ILE 102 -27.303 -4.828 2.203 791 2HG2 ILE 102 2HG2 ILE 102 -26.736 -5.936 3.475 792 3HG2 ILE 102 3HG2 ILE 102 -25.709 -5.605 2.059 793 1HD1 ILE 102 1HD1 ILE 102 -29.044 -5.804 3.134 794 2HD1 ILE 102 2HD1 ILE 102 -30.175 -7.150 3.415 795 3HD1 ILE 102 3HD1 ILE 102 -28.787 -6.912 4.503 796 H ASP 103 H ASP 103 -30.616 -6.719 1.134 797 HA ASP 103 HA ASP 103 -30.996 -4.119 2.094 798 1HB ASP 103 1HB ASP 103 -32.713 -3.414 0.382 799 2HB ASP 103 2HB ASP 103 -31.072 -3.438 -0.233 800 H SER 104 H SER 104 -33.504 -3.823 2.563 801 HA SER 104 HA SER 104 -34.635 -6.484 2.951 802 1HB SER 104 1HB SER 104 -33.968 -5.445 5.086 803 2HB SER 104 2HB SER 104 -34.887 -4.002 4.705 804 HG SER 104 HG SER 104 -36.657 -4.948 5.436 No H/Q in entry = 804 Start of MODEL 25 1 H ALA 1 H ALA 1 33.453 2.544 -32.074 2 HA ALA 1 HA ALA 1 33.285 1.044 -29.559 3 1HB ALA 1 1HB ALA 1 35.097 3.149 -30.137 4 2HB ALA 1 2HB ALA 1 33.830 3.851 -29.103 5 3HB ALA 1 3HB ALA 1 34.741 2.425 -28.551 6 H GLU 2 H GLU 2 31.116 0.813 -29.269 7 HA GLU 2 HA GLU 2 29.552 3.015 -28.745 8 1HB GLU 2 1HB GLU 2 27.989 3.034 -30.656 9 2HB GLU 2 2HB GLU 2 29.613 3.437 -31.178 10 1HG GLU 2 1HG GLU 2 29.853 0.860 -31.669 11 2HG GLU 2 2HG GLU 2 28.103 0.832 -31.576 12 H GLU 3 H GLU 3 27.111 2.312 -28.555 13 HA GLU 3 HA GLU 3 26.319 -0.271 -28.727 14 1HB GLU 3 1HB GLU 3 28.262 -0.050 -26.668 15 2HB GLU 3 2HB GLU 3 26.723 -0.174 -25.840 16 1HG GLU 3 1HG GLU 3 26.243 -2.148 -27.526 17 2HG GLU 3 2HG GLU 3 27.975 -2.135 -27.788 18 H SER 4 H SER 4 24.282 -0.693 -27.356 19 HA SER 4 HA SER 4 23.202 1.286 -25.780 20 1HB SER 4 1HB SER 4 21.545 2.326 -27.263 21 2HB SER 4 2HB SER 4 23.162 2.646 -27.856 22 HG SER 4 HG SER 4 22.659 1.666 -29.683 23 H SER 5 H SER 5 20.558 0.965 -25.838 24 HA SER 5 HA SER 5 19.709 -1.540 -26.775 25 1HB SER 5 1HB SER 5 20.913 -1.436 -24.097 26 2HB SER 5 2HB SER 5 19.250 -1.985 -24.029 27 HG SER 5 HG SER 5 20.834 -3.723 -24.359 28 H LYS 6 H LYS 6 17.427 -2.055 -25.583 29 HA LYS 6 HA LYS 6 16.020 -0.200 -24.202 30 1HB LYS 6 1HB LYS 6 16.554 0.769 -26.887 31 2HB LYS 6 2HB LYS 6 14.832 0.591 -26.624 32 1HG LYS 6 1HG LYS 6 14.887 2.008 -24.658 33 2HG LYS 6 2HG LYS 6 16.637 1.974 -24.597 34 1HD LYS 6 1HD LYS 6 16.606 3.089 -26.931 35 2HD LYS 6 2HD LYS 6 14.888 3.340 -26.686 36 1HE LYS 6 1HE LYS 6 15.306 4.683 -24.674 37 2HE LYS 6 2HE LYS 6 17.016 4.304 -24.718 38 1HZ LYS 6 1HZ LYS 6 17.033 5.382 -26.941 39 2HZ LYS 6 2HZ LYS 6 15.512 5.903 -26.660 40 3HZ LYS 6 3HZ LYS 6 16.734 6.396 -25.697 41 H ALA 7 H ALA 7 13.469 -0.321 -25.130 42 HA ALA 7 HA ALA 7 11.735 -1.652 -25.492 43 1HB ALA 7 2HB ALA 7 11.992 -2.724 -27.448 44 2HB ALA 7 1HB ALA 7 12.840 -4.038 -26.601 45 3HB ALA 7 3HB ALA 7 13.762 -2.669 -27.267 46 H VAL 8 H VAL 8 12.032 -1.631 -23.023 47 HA VAL 8 HA VAL 8 13.230 -3.423 -21.484 48 HB VAL 8 HB VAL 8 11.986 -2.128 -20.171 49 1HG1 VAL 8 3HG1 VAL 8 10.197 -1.956 -22.557 50 2HG1 VAL 8 1HG1 VAL 8 9.514 -1.510 -20.974 51 3HG1 VAL 8 2HG1 VAL 8 10.952 -0.664 -21.593 52 1HG2 VAL 8 2HG2 VAL 8 11.157 -4.452 -19.691 53 2HG2 VAL 8 3HG2 VAL 8 10.031 -3.154 -19.226 54 3HG2 VAL 8 1HG2 VAL 8 9.739 -4.095 -20.707 55 H LYS 9 H LYS 9 9.928 -4.075 -22.872 56 HA LYS 9 HA LYS 9 9.058 -5.951 -23.680 57 1HB LYS 9 1HB LYS 9 11.837 -6.414 -24.036 58 2HB LYS 9 2HB LYS 9 11.163 -7.892 -23.381 59 1HG LYS 9 1HG LYS 9 9.773 -8.250 -25.217 60 2HG LYS 9 2HG LYS 9 9.578 -6.540 -25.545 61 1HD LYS 9 1HD LYS 9 12.050 -6.514 -26.272 62 2HD LYS 9 2HD LYS 9 12.015 -8.264 -26.171 63 1HE LYS 9 1HE LYS 9 9.696 -7.515 -27.668 64 2HE LYS 9 2HE LYS 9 11.011 -6.539 -28.292 65 1HZ LYS 9 2HZ LYS 9 11.188 -9.446 -27.923 66 2HZ LYS 9 3HZ LYS 9 10.798 -8.730 -29.338 67 3HZ LYS 9 1HZ LYS 9 12.273 -8.489 -28.681 68 H TYR 10 H TYR 10 11.357 -6.711 -20.969 69 HA TYR 10 HA TYR 10 9.037 -7.676 -19.465 70 1HB TYR 10 1HB TYR 10 11.394 -9.245 -18.871 71 2HB TYR 10 2HB TYR 10 9.917 -9.819 -19.622 72 HD1 TYR 10 HD1 TYR 10 9.951 -10.597 -21.834 73 HD2 TYR 10 HD2 TYR 10 13.154 -8.125 -20.442 74 HE1 TYR 10 HE1 TYR 10 11.222 -11.012 -23.997 75 HE2 TYR 10 HE2 TYR 10 14.414 -8.548 -22.608 76 HH TYR 10 HH TYR 10 13.408 -10.966 -24.835 77 H TYR 11 H TYR 11 8.940 -6.388 -17.693 78 HA TYR 11 HA TYR 11 11.505 -5.727 -16.408 79 1HB TYR 11 1HB TYR 11 9.127 -4.181 -17.350 80 2HB TYR 11 2HB TYR 11 9.508 -3.843 -15.672 81 HD1 TYR 11 HD1 TYR 11 12.231 -4.743 -17.953 82 HD2 TYR 11 HD2 TYR 11 10.020 -1.501 -16.248 83 HE1 TYR 11 HE1 TYR 11 14.039 -3.115 -18.688 84 HE2 TYR 11 HE2 TYR 11 11.836 0.116 -16.989 85 HH TYR 11 HH TYR 11 14.705 -1.067 -18.726 86 H THR 12 H THR 12 11.113 -5.051 -14.007 87 HA THR 12 HA THR 12 9.258 -7.034 -12.870 88 HB THR 12 HB THR 12 10.847 -7.138 -11.012 89 HG1 THR 12 HG1 THR 12 12.647 -5.568 -11.104 90 1HG2 THR 12 2HG2 THR 12 12.342 -6.931 -13.677 91 2HG2 THR 12 3HG2 THR 12 13.049 -7.582 -12.180 92 3HG2 THR 12 1HG2 THR 12 11.683 -8.418 -12.956 93 H LEU 13 H LEU 13 7.959 -6.493 -11.059 94 HA LEU 13 HA LEU 13 6.572 -4.192 -11.230 95 1HB LEU 13 1HB LEU 13 7.014 -6.245 -9.172 96 2HB LEU 13 2HB LEU 13 6.438 -4.712 -8.551 97 HG LEU 13 HG LEU 13 5.091 -6.560 -10.519 98 1HD1 LEU 13 1HD1 LEU 13 4.936 -6.626 -7.876 99 2HD1 LEU 13 2HD1 LEU 13 3.748 -5.329 -8.152 100 3HD1 LEU 13 3HD1 LEU 13 3.516 -6.924 -8.907 101 1HD2 LEU 13 2HD2 LEU 13 4.627 -3.622 -10.095 102 2HD2 LEU 13 3HD2 LEU 13 4.654 -4.566 -11.604 103 3HD2 LEU 13 1HD2 LEU 13 3.269 -4.702 -10.495 104 H GLU 14 H GLU 14 9.671 -4.734 -9.515 105 HA GLU 14 HA GLU 14 9.666 -2.295 -8.178 106 1HB GLU 14 1HB GLU 14 11.418 -4.551 -8.506 107 2HB GLU 14 2HB GLU 14 12.362 -3.105 -8.803 108 1HG GLU 14 1HG GLU 14 12.522 -2.898 -6.543 109 2HG GLU 14 2HG GLU 14 10.848 -2.380 -6.571 110 H GLU 15 H GLU 15 11.196 -3.337 -11.304 111 HA GLU 15 HA GLU 15 12.428 -0.992 -11.905 112 1HB GLU 15 1HB GLU 15 11.078 -2.957 -13.808 113 2HB GLU 15 2HB GLU 15 12.242 -1.741 -14.297 114 1HG GLU 15 1HG GLU 15 13.230 -3.346 -12.032 115 2HG GLU 15 2HG GLU 15 12.823 -4.351 -13.410 116 H ILE 16 H ILE 16 8.987 -1.920 -12.273 117 HA ILE 16 HA ILE 16 8.343 0.436 -13.764 118 HB ILE 16 HB ILE 16 6.460 -1.442 -12.348 119 1HG1 ILE 16 1HG1 ILE 16 6.959 -1.971 -15.189 120 2HG1 ILE 16 2HG1 ILE 16 8.368 -2.251 -14.185 121 1HG2 ILE 16 2HG2 ILE 16 6.118 0.867 -14.010 122 2HG2 ILE 16 3HG2 ILE 16 5.498 -0.566 -14.863 123 3HG2 ILE 16 1HG2 ILE 16 4.887 -0.163 -13.241 124 1HD1 ILE 16 1HD1 ILE 16 5.945 -3.284 -12.899 125 2HD1 ILE 16 2HD1 ILE 16 6.183 -3.990 -14.516 126 3HD1 ILE 16 3HD1 ILE 16 7.463 -4.127 -13.287 127 H GLN 17 H GLN 17 8.305 -0.634 -10.348 128 HA GLN 17 HA GLN 17 6.762 1.460 -9.395 129 1HB GLN 17 1HB GLN 17 7.807 -0.798 -8.308 130 2HB GLN 17 2HB GLN 17 8.949 0.363 -7.662 131 1HG GLN 17 1HG GLN 17 6.237 1.410 -7.412 132 2HG GLN 17 2HG GLN 17 6.317 -0.194 -6.711 133 1HE2 GLN 17 1HE2 GLN 17 5.800 1.447 -4.891 134 2HE2 GLN 17 2HE2 GLN 17 7.146 1.964 -3.930 135 H LYS 18 H LYS 18 10.238 1.167 -10.173 136 HA LYS 18 HA LYS 18 11.016 3.543 -8.856 137 1HB LYS 18 1HB LYS 18 12.361 2.056 -11.132 138 2HB LYS 18 2HB LYS 18 13.105 3.263 -10.104 139 1HG LYS 18 1HG LYS 18 11.784 0.852 -8.832 140 2HG LYS 18 2HG LYS 18 13.374 0.678 -9.548 141 1HD LYS 18 1HD LYS 18 12.643 2.750 -7.424 142 2HD LYS 18 2HD LYS 18 13.459 1.233 -7.097 143 1HE LYS 18 1HE LYS 18 15.254 1.996 -8.806 144 2HE LYS 18 2HE LYS 18 14.501 3.577 -8.743 145 1HZ LYS 18 1HZ LYS 18 15.150 2.309 -6.223 146 2HZ LYS 18 2HZ LYS 18 16.388 2.900 -7.108 147 3HZ LYS 18 3HZ LYS 18 15.182 3.891 -6.628 148 H HIS 19 H HIS 19 9.551 2.771 -11.990 149 HA HIS 19 HA HIS 19 10.014 5.505 -12.873 150 1HB HIS 19 1HB HIS 19 9.145 2.963 -14.230 151 2HB HIS 19 2HB HIS 19 8.818 4.514 -14.975 152 HD1 HIS 19 HD1 HIS 19 10.467 4.036 -16.932 153 HD2 HIS 19 HD2 HIS 19 12.256 4.029 -13.139 154 HE1 HIS 19 HE1 HIS 19 12.987 4.077 -17.331 155 HE2 HIS 19 HE2 HIS 19 14.031 4.127 -14.964 156 H ASN 20 H ASN 20 8.616 6.795 -11.676 157 HA ASN 20 HA ASN 20 5.842 6.407 -12.330 158 1HB ASN 20 1HB ASN 20 5.948 5.248 -10.182 159 2HB ASN 20 2HB ASN 20 6.925 6.518 -9.473 160 1HD2 ASN 20 1HD2 ASN 20 4.290 7.196 -11.662 161 2HD2 ASN 20 2HD2 ASN 20 3.186 7.881 -10.517 162 H ASN 21 H ASN 21 8.047 8.290 -13.046 163 HA ASN 21 HA ASN 21 7.173 10.684 -11.647 164 1HB ASN 21 1HB ASN 21 9.638 10.135 -13.383 165 2HB ASN 21 2HB ASN 21 9.257 11.710 -12.715 166 1HD2 ASN 21 1HD2 ASN 21 10.850 8.822 -12.247 167 2HD2 ASN 21 2HD2 ASN 21 11.189 8.917 -10.550 168 H SER 22 H SER 22 6.951 12.694 -13.110 169 HA SER 22 HA SER 22 5.267 12.100 -15.239 170 1HB SER 22 1HB SER 22 4.959 14.421 -15.413 171 2HB SER 22 2HB SER 22 5.445 14.235 -13.739 172 HG SER 22 HG SER 22 7.318 15.252 -14.119 173 H LYS 23 H LYS 23 8.639 11.896 -15.003 174 HA LYS 23 HA LYS 23 9.034 12.586 -17.821 175 1HB LYS 23 1HB LYS 23 11.392 12.680 -17.311 176 2HB LYS 23 2HB LYS 23 10.510 13.681 -16.176 177 1HG LYS 23 1HG LYS 23 10.533 11.190 -14.903 178 2HG LYS 23 2HG LYS 23 12.104 11.238 -15.679 179 1HD LYS 23 1HD LYS 23 11.529 13.829 -14.470 180 2HD LYS 23 2HD LYS 23 11.309 12.563 -13.278 181 1HE LYS 23 1HE LYS 23 13.755 12.314 -14.992 182 2HE LYS 23 2HE LYS 23 13.742 13.670 -13.882 183 1HZ LYS 23 2HZ LYS 23 13.047 10.977 -12.976 184 2HZ LYS 23 3HZ LYS 23 14.601 11.476 -13.037 185 3HZ LYS 23 1HZ LYS 23 13.530 12.255 -12.080 186 H SER 24 H SER 24 8.689 9.948 -15.554 187 HA SER 24 HA SER 24 8.951 8.134 -17.748 188 1HB SER 24 1HB SER 24 11.104 8.469 -15.842 189 2HB SER 24 2HB SER 24 10.406 6.876 -15.624 190 HG SER 24 HG SER 24 11.535 8.013 -18.027 191 H THR 25 H THR 25 6.704 7.725 -17.413 192 HA THR 25 HA THR 25 6.031 6.572 -14.789 193 HB THR 25 HB THR 25 3.641 7.100 -16.071 194 HG1 THR 25 HG1 THR 25 4.041 8.828 -17.461 195 1HG2 THR 25 1HG2 THR 25 5.340 8.499 -14.087 196 2HG2 THR 25 2HG2 THR 25 4.310 9.612 -15.021 197 3HG2 THR 25 3HG2 THR 25 3.573 8.280 -14.100 198 H TRP 26 H TRP 26 6.159 4.419 -14.743 199 HA TRP 26 HA TRP 26 5.251 3.011 -17.161 200 1HB TRP 26 1HB TRP 26 7.640 2.670 -15.461 201 2HB TRP 26 2HB TRP 26 6.794 1.188 -15.863 202 HD1 TRP 26 HD1 TRP 26 7.328 0.195 -18.240 203 HE1 TRP 26 HE1 TRP 26 8.616 0.928 -20.423 204 HE3 TRP 26 HE3 TRP 26 8.118 5.003 -16.790 205 HZ2 TRP 26 HZ2 TRP 26 9.795 3.382 -21.280 206 HZ3 TRP 26 HZ3 TRP 26 9.346 6.503 -18.359 207 HH2 TRP 26 HH2 TRP 26 10.173 5.761 -20.537 208 H LEU 27 H LEU 27 3.657 1.440 -16.853 209 HA LEU 27 HA LEU 27 3.026 0.668 -14.125 210 1HB LEU 27 1HB LEU 27 0.922 1.511 -14.027 211 2HB LEU 27 2HB LEU 27 1.745 2.797 -14.888 212 HG LEU 27 HG LEU 27 -0.232 2.585 -16.065 213 1HD1 LEU 27 2HD1 LEU 27 1.948 2.237 -17.448 214 2HD1 LEU 27 3HD1 LEU 27 1.318 0.591 -17.690 215 3HD1 LEU 27 1HD1 LEU 27 0.362 1.996 -18.219 216 1HD2 LEU 27 3HD2 LEU 27 -0.366 0.037 -14.904 217 2HD2 LEU 27 1HD2 LEU 27 -1.607 0.852 -15.885 218 3HD2 LEU 27 2HD2 LEU 27 -0.432 -0.237 -16.661 219 H ILE 28 H ILE 28 1.111 -1.038 -14.264 220 HA ILE 28 HA ILE 28 1.727 -2.723 -16.590 221 HB ILE 28 HB ILE 28 0.668 -3.988 -14.151 222 1HG1 ILE 28 1HG1 ILE 28 2.328 -2.132 -13.407 223 2HG1 ILE 28 2HG1 ILE 28 2.488 -3.751 -12.756 224 1HG2 ILE 28 2HG2 ILE 28 2.742 -4.586 -16.252 225 2HG2 ILE 28 3HG2 ILE 28 2.624 -5.547 -14.758 226 3HG2 ILE 28 1HG2 ILE 28 1.237 -5.457 -15.869 227 1HD1 ILE 28 3HD1 ILE 28 3.964 -3.264 -15.305 228 2HD1 ILE 28 1HD1 ILE 28 4.556 -2.369 -13.885 229 3HD1 ILE 28 2HD1 ILE 28 4.474 -4.145 -13.845 230 H LEU 29 H LEU 29 0.046 -3.487 -17.829 231 HA LEU 29 HA LEU 29 -2.652 -3.026 -16.799 232 1HB LEU 29 1HB LEU 29 -1.545 -1.257 -18.503 233 2HB LEU 29 2HB LEU 29 -2.178 -2.412 -19.659 234 HG LEU 29 HG LEU 29 -3.615 -0.555 -17.831 235 1HD1 LEU 29 1HD1 LEU 29 -3.280 -0.354 -20.376 236 2HD1 LEU 29 2HD1 LEU 29 -4.529 -1.617 -20.498 237 3HD1 LEU 29 3HD1 LEU 29 -4.905 -0.065 -19.711 238 1HD2 LEU 29 1HD2 LEU 29 -4.517 -3.368 -18.372 239 2HD2 LEU 29 2HD2 LEU 29 -4.606 -2.411 -16.875 240 3HD2 LEU 29 3HD2 LEU 29 -5.708 -2.054 -18.227 241 H HIS 30 H HIS 30 -3.717 -4.923 -16.814 242 HA HIS 30 HA HIS 30 -4.505 -6.850 -17.541 243 1HB HIS 30 1HB HIS 30 -4.354 -5.701 -19.837 244 2HB HIS 30 2HB HIS 30 -2.888 -6.629 -20.081 245 HD1 HIS 30 HD1 HIS 30 -3.356 -9.402 -19.505 246 HD2 HIS 30 HD2 HIS 30 -6.529 -7.000 -20.829 247 HE1 HIS 30 HE1 HIS 30 -5.122 -10.996 -20.430 248 HE2 HIS 30 HE2 HIS 30 -7.070 -9.466 -21.178 249 H TYR 31 H TYR 31 -1.009 -6.334 -18.317 250 HA TYR 31 HA TYR 31 -0.025 -8.050 -16.443 251 1HB TYR 31 1HB TYR 31 -1.406 -9.404 -18.573 252 2HB TYR 31 2HB TYR 31 0.294 -9.604 -18.945 253 HD1 TYR 31 HD1 TYR 31 1.070 -9.550 -15.858 254 HD2 TYR 31 HD2 TYR 31 -1.703 -11.804 -18.212 255 HE1 TYR 31 HE1 TYR 31 1.206 -11.469 -14.194 256 HE2 TYR 31 HE2 TYR 31 -1.557 -13.715 -16.541 257 HH TYR 31 HH TYR 31 -1.006 -14.065 -14.254 258 H LYS 32 H LYS 32 0.127 -6.183 -19.319 259 HA LYS 32 HA LYS 32 3.021 -6.580 -19.524 260 1HB LYS 32 1HB LYS 32 1.176 -5.121 -21.435 261 2HB LYS 32 2HB LYS 32 2.853 -5.546 -21.700 262 1HG LYS 32 1HG LYS 32 2.081 -7.463 -22.651 263 2HG LYS 32 2HG LYS 32 1.724 -8.005 -21.024 264 1HD LYS 32 1HD LYS 32 -0.566 -7.029 -21.186 265 2HD LYS 32 2HD LYS 32 -0.212 -6.443 -22.799 266 1HE LYS 32 1HE LYS 32 0.465 -9.215 -22.822 267 2HE LYS 32 2HE LYS 32 -1.061 -9.107 -21.966 268 1HZ LYS 32 3HZ LYS 32 -0.548 -7.856 -24.576 269 2HZ LYS 32 1HZ LYS 32 -1.308 -9.287 -24.369 270 3HZ LYS 32 2HZ LYS 32 -1.980 -7.914 -23.796 271 H VAL 33 H VAL 33 4.161 -4.355 -20.172 272 HA VAL 33 HA VAL 33 3.250 -2.415 -18.161 273 HB VAL 33 HB VAL 33 5.581 -1.781 -17.932 274 1HG1 VAL 33 3HG1 VAL 33 4.461 -4.311 -17.188 275 2HG1 VAL 33 1HG1 VAL 33 6.197 -4.529 -17.510 276 3HG1 VAL 33 2HG1 VAL 33 5.659 -3.318 -16.322 277 1HG2 VAL 33 1HG2 VAL 33 5.897 -3.019 -20.442 278 2HG2 VAL 33 2HG2 VAL 33 7.156 -2.257 -19.440 279 3HG2 VAL 33 3HG2 VAL 33 6.839 -4.001 -19.295 280 H TYR 34 H TYR 34 2.878 -0.314 -18.791 281 HA TYR 34 HA TYR 34 3.505 0.300 -21.600 282 1HB TYR 34 1HB TYR 34 1.161 1.241 -19.837 283 2HB TYR 34 2HB TYR 34 1.321 1.522 -21.559 284 HD1 TYR 34 HD1 TYR 34 1.325 -1.421 -19.214 285 HD2 TYR 34 HD2 TYR 34 -0.005 0.218 -22.935 286 HE1 TYR 34 HE1 TYR 34 0.014 -3.546 -19.689 287 HE2 TYR 34 HE2 TYR 34 -1.313 -1.914 -23.397 288 HH TYR 34 HH TYR 34 -2.202 -3.736 -22.367 289 H ASP 35 H ASP 35 3.950 2.553 -22.083 290 HA ASP 35 HA ASP 35 5.160 3.830 -19.797 291 1HB ASP 35 1HB ASP 35 5.954 3.503 -22.437 292 2HB ASP 35 2HB ASP 35 5.323 5.139 -22.466 293 H LEU 36 H LEU 36 3.317 4.790 -18.727 294 HA LEU 36 HA LEU 36 1.235 6.073 -20.052 295 1HB LEU 36 1HB LEU 36 2.310 6.483 -17.258 296 2HB LEU 36 2HB LEU 36 0.768 7.073 -17.843 297 HG LEU 36 HG LEU 36 1.618 4.210 -17.392 298 1HD1 LEU 36 3HD1 LEU 36 0.308 6.103 -15.786 299 2HD1 LEU 36 1HD1 LEU 36 -0.959 4.981 -16.341 300 3HD1 LEU 36 2HD1 LEU 36 0.477 4.355 -15.494 301 1HD2 LEU 36 3HD2 LEU 36 -0.376 5.258 -19.288 302 2HD2 LEU 36 1HD2 LEU 36 0.418 3.667 -19.205 303 3HD2 LEU 36 2HD2 LEU 36 -0.991 4.013 -18.174 304 H THR 37 H THR 37 4.549 6.967 -19.641 305 HA THR 37 HA THR 37 4.502 9.684 -19.379 306 HB THR 37 HB THR 37 6.244 7.843 -21.096 307 HG1 THR 37 HG1 THR 37 7.539 8.120 -19.099 308 1HG2 THR 37 1HG2 THR 37 6.302 10.531 -21.436 309 2HG2 THR 37 2HG2 THR 37 7.224 10.439 -19.917 310 3HG2 THR 37 3HG2 THR 37 7.798 9.571 -21.361 311 H LYS 38 H LYS 38 3.212 7.770 -22.008 312 HA LYS 38 HA LYS 38 3.105 10.129 -23.717 313 1HB LYS 38 1HB LYS 38 2.542 7.195 -24.198 314 2HB LYS 38 2HB LYS 38 2.169 8.440 -25.373 315 1HG LYS 38 1HG LYS 38 4.578 9.182 -25.311 316 2HG LYS 38 2HG LYS 38 4.932 7.879 -24.194 317 1HD LYS 38 1HD LYS 38 4.928 6.295 -25.845 318 2HD LYS 38 2HD LYS 38 3.488 6.947 -26.601 319 1HE LYS 38 1HE LYS 38 5.512 8.897 -27.051 320 2HE LYS 38 2HE LYS 38 6.293 7.353 -27.327 321 1HZ LYS 38 3HZ LYS 38 3.938 7.044 -28.556 322 2HZ LYS 38 1HZ LYS 38 4.241 8.624 -28.837 323 3HZ LYS 38 2HZ LYS 38 5.323 7.491 -29.298 324 H PHE 39 H PHE 39 1.091 7.924 -21.755 325 HA PHE 39 HA PHE 39 -1.364 8.970 -22.714 326 1HB PHE 39 1HB PHE 39 -0.294 7.222 -20.477 327 2HB PHE 39 2HB PHE 39 -1.919 7.849 -20.275 328 HD1 PHE 39 HD1 PHE 39 -3.332 7.611 -22.628 329 HD2 PHE 39 HD2 PHE 39 -0.190 5.084 -21.304 330 HE1 PHE 39 HE1 PHE 39 -4.227 5.750 -24.056 331 HE2 PHE 39 HE2 PHE 39 -1.084 3.224 -22.731 332 HZ PHE 39 HZ PHE 39 -3.093 3.578 -24.089 333 H LEU 40 H LEU 40 0.999 9.939 -20.277 334 HA LEU 40 HA LEU 40 -0.469 11.275 -18.445 335 1HB LEU 40 1HB LEU 40 2.186 11.835 -19.721 336 2HB LEU 40 2HB LEU 40 1.528 12.946 -18.535 337 HG LEU 40 HG LEU 40 2.380 10.080 -18.160 338 1HD1 LEU 40 2HD1 LEU 40 3.256 12.760 -17.193 339 2HD1 LEU 40 3HD1 LEU 40 3.423 11.376 -16.086 340 3HD1 LEU 40 1HD1 LEU 40 4.213 11.340 -17.681 341 1HD2 LEU 40 3HD2 LEU 40 0.300 11.575 -16.650 342 2HD2 LEU 40 1HD2 LEU 40 0.494 9.827 -16.928 343 3HD2 LEU 40 2HD2 LEU 40 1.489 10.650 -15.702 344 H GLU 41 H GLU 41 0.523 12.496 -21.710 345 HA GLU 41 HA GLU 41 -0.726 14.959 -21.380 346 1HB GLU 41 1HB GLU 41 0.771 13.579 -23.403 347 2HB GLU 41 2HB GLU 41 -0.685 14.188 -24.165 348 1HG GLU 41 1HG GLU 41 0.102 16.341 -22.566 349 2HG GLU 41 2HG GLU 41 1.638 15.677 -23.085 350 H GLU 42 H GLU 42 -1.770 11.973 -23.176 351 HA GLU 42 HA GLU 42 -4.325 13.079 -23.667 352 1HB GLU 42 1HB GLU 42 -2.835 10.629 -24.348 353 2HB GLU 42 2HB GLU 42 -4.534 10.314 -24.054 354 1HG GLU 42 1HG GLU 42 -4.229 12.746 -25.645 355 2HG GLU 42 2HG GLU 42 -3.366 11.422 -26.402 356 H HIS 43 H HIS 43 -6.125 10.976 -23.139 357 HA HIS 43 HA HIS 43 -7.244 9.902 -21.555 358 1HB HIS 43 1HB HIS 43 -4.961 9.297 -20.610 359 2HB HIS 43 2HB HIS 43 -5.134 10.662 -19.523 360 HD1 HIS 43 HD1 HIS 43 -7.635 10.539 -18.138 361 HD2 HIS 43 HD2 HIS 43 -5.848 6.987 -19.476 362 HE1 HIS 43 HE1 HIS 43 -8.666 8.656 -16.758 363 HE2 HIS 43 HE2 HIS 43 -7.569 6.494 -17.663 364 HA PRO 44 HA PRO 44 -9.402 13.392 -20.144 365 1HB PRO 44 1HB PRO 44 -11.614 12.150 -19.129 366 2HB PRO 44 2HB PRO 44 -11.412 12.508 -20.832 367 1HG PRO 44 1HG PRO 44 -11.175 9.908 -19.445 368 2HG PRO 44 2HG PRO 44 -11.399 10.223 -21.153 369 1HD PRO 44 1HD PRO 44 -8.961 9.450 -19.857 370 2HD PRO 44 2HD PRO 44 -9.161 9.878 -21.544 371 H GLY 45 H GLY 45 -9.499 10.691 -17.862 372 1HA GLY 45 2HA GLY 45 -8.750 10.655 -15.715 373 2HA GLY 45 1HA GLY 45 -9.983 11.888 -15.535 374 H GLY 46 H GLY 46 -6.681 11.820 -17.073 375 1HA GLY 46 2HA GLY 46 -5.920 14.044 -15.284 376 2HA GLY 46 1HA GLY 46 -5.647 14.127 -17.013 377 H GLU 47 H GLU 47 -3.324 14.331 -16.520 378 HA GLU 47 HA GLU 47 -1.863 12.199 -17.043 379 1HB GLU 47 1HB GLU 47 -1.093 14.450 -15.133 380 2HB GLU 47 2HB GLU 47 0.052 13.362 -15.892 381 1HG GLU 47 1HG GLU 47 -0.216 14.308 -18.002 382 2HG GLU 47 2HG GLU 47 -1.893 14.736 -17.720 383 H GLU 48 H GLU 48 -2.688 13.300 -13.680 384 HA GLU 48 HA GLU 48 -1.340 11.425 -12.290 385 1HB GLU 48 1HB GLU 48 -3.222 13.382 -11.716 386 2HB GLU 48 2HB GLU 48 -4.068 11.923 -11.242 387 1HG GLU 48 1HG GLU 48 -2.628 11.485 -9.493 388 2HG GLU 48 2HG GLU 48 -1.218 12.040 -10.371 389 H VAL 49 H VAL 49 -4.649 11.134 -13.735 390 HA VAL 49 HA VAL 49 -5.495 8.781 -12.804 391 HB VAL 49 HB VAL 49 -6.402 10.383 -14.627 392 1HG1 VAL 49 3HG1 VAL 49 -4.346 9.354 -16.120 393 2HG1 VAL 49 1HG1 VAL 49 -5.719 8.360 -16.662 394 3HG1 VAL 49 2HG1 VAL 49 -5.801 10.135 -16.784 395 1HG2 VAL 49 1HG2 VAL 49 -7.171 7.896 -13.696 396 2HG2 VAL 49 2HG2 VAL 49 -8.155 8.986 -14.703 397 3HG2 VAL 49 3HG2 VAL 49 -7.201 7.688 -15.464 398 H LEU 50 H LEU 50 -2.690 9.332 -14.905 399 HA LEU 50 HA LEU 50 -2.317 6.424 -15.049 400 1HB LEU 50 1HB LEU 50 -0.981 8.524 -16.750 401 2HB LEU 50 2HB LEU 50 -0.967 6.788 -16.978 402 HG LEU 50 HG LEU 50 -3.695 7.695 -16.965 403 1HD1 LEU 50 3HD1 LEU 50 -1.794 9.299 -18.666 404 2HD1 LEU 50 1HD1 LEU 50 -3.484 9.028 -19.150 405 3HD1 LEU 50 2HD1 LEU 50 -3.120 9.862 -17.622 406 1HD2 LEU 50 2HD2 LEU 50 -1.865 6.402 -18.990 407 2HD2 LEU 50 3HD2 LEU 50 -3.144 5.652 -18.004 408 3HD2 LEU 50 1HD2 LEU 50 -3.575 6.762 -19.329 409 H ARG 51 H ARG 51 -0.804 9.589 -14.242 410 HA ARG 51 HA ARG 51 1.665 8.549 -13.582 411 1HB ARG 51 1HB ARG 51 0.660 11.057 -13.784 412 2HB ARG 51 2HB ARG 51 0.574 10.903 -12.040 413 1HG ARG 51 1HG ARG 51 3.139 10.076 -13.391 414 2HG ARG 51 2HG ARG 51 2.794 11.790 -13.284 415 1HD ARG 51 1HD ARG 51 2.180 10.751 -10.708 416 2HD ARG 51 2HD ARG 51 3.671 9.958 -11.178 417 HE ARG 51 HE ARG 51 4.203 12.560 -11.851 418 1HH1 ARG 51 2HH1 ARG 51 5.056 14.173 -10.476 419 2HH1 ARG 51 1HH1 ARG 51 4.786 14.086 -8.768 420 1HH2 ARG 51 2HH2 ARG 51 2.911 11.106 -8.917 421 2HH2 ARG 51 1HH2 ARG 51 3.557 12.330 -7.874 422 H GLU 52 H GLU 52 -1.266 9.273 -11.566 423 HA GLU 52 HA GLU 52 -0.176 8.616 -9.139 424 1HB GLU 52 1HB GLU 52 -2.752 9.257 -10.202 425 2HB GLU 52 2HB GLU 52 -2.958 7.801 -9.249 426 1HG GLU 52 1HG GLU 52 -1.383 10.158 -8.153 427 2HG GLU 52 2HG GLU 52 -3.132 10.127 -8.048 428 H GLN 53 H GLN 53 -1.192 6.575 -11.826 429 HA GLN 53 HA GLN 53 -1.214 4.242 -10.129 430 1HB GLN 53 1HB GLN 53 -1.973 3.047 -12.148 431 2HB GLN 53 2HB GLN 53 -2.960 4.467 -11.864 432 1HG GLN 53 1HG GLN 53 -1.750 5.737 -13.574 433 2HG GLN 53 2HG GLN 53 -0.567 4.457 -13.758 434 1HE2 GLN 53 1HE2 GLN 53 -3.830 5.501 -14.368 435 2HE2 GLN 53 2HE2 GLN 53 -4.268 4.300 -15.536 436 H ALA 54 H ALA 54 0.822 5.971 -12.453 437 HA ALA 54 HA ALA 54 2.496 3.970 -13.305 438 1HB ALA 54 3HB ALA 54 2.774 6.924 -12.782 439 2HB ALA 54 1HB ALA 54 4.211 5.977 -13.239 440 3HB ALA 54 2HB ALA 54 2.802 6.039 -14.326 441 H GLY 55 H GLY 55 4.020 2.682 -12.364 442 1HA GLY 55 2HA GLY 55 4.839 3.384 -9.606 443 2HA GLY 55 1HA GLY 55 5.888 2.627 -10.786 444 H GLY 56 H GLY 56 3.201 1.145 -11.706 445 1HA GLY 56 2HA GLY 56 2.620 -0.609 -9.518 446 2HA GLY 56 1HA GLY 56 3.730 -1.332 -10.666 447 H ASP 57 H ASP 57 1.465 -2.694 -10.539 448 HA ASP 57 HA ASP 57 0.411 -2.444 -13.095 449 1HB ASP 57 1HB ASP 57 0.154 -4.610 -12.357 450 2HB ASP 57 2HB ASP 57 -0.030 -4.126 -10.683 451 H ALA 58 H ALA 58 -1.535 -1.456 -13.826 452 HA ALA 58 HA ALA 58 -3.042 0.003 -11.766 453 1HB ALA 58 2HB ALA 58 -1.613 1.098 -13.787 454 2HB ALA 58 3HB ALA 58 -3.159 0.839 -14.626 455 3HB ALA 58 1HB ALA 58 -3.105 1.826 -13.145 456 H THR 59 H THR 59 -3.046 -2.583 -14.017 457 HA THR 59 HA THR 59 -5.530 -2.537 -15.162 458 HB THR 59 HB THR 59 -3.394 -4.311 -14.903 459 HG1 THR 59 HG1 THR 59 -5.349 -5.646 -16.057 460 1HG2 THR 59 3HG2 THR 59 -5.929 -5.547 -13.705 461 2HG2 THR 59 1HG2 THR 59 -4.527 -6.473 -14.289 462 3HG2 THR 59 2HG2 THR 59 -4.356 -5.395 -12.885 463 H GLU 60 H GLU 60 -4.709 -3.828 -11.874 464 HA GLU 60 HA GLU 60 -7.098 -4.722 -11.131 465 1HB GLU 60 1HB GLU 60 -6.472 -3.934 -8.779 466 2HB GLU 60 2HB GLU 60 -5.265 -4.897 -9.608 467 1HG GLU 60 1HG GLU 60 -4.430 -2.471 -10.445 468 2HG GLU 60 2HG GLU 60 -5.244 -1.948 -8.984 469 H ASN 61 H ASN 61 -6.203 -1.351 -11.720 470 HA ASN 61 HA ASN 61 -8.630 -0.428 -10.475 471 1HB ASN 61 1HB ASN 61 -6.069 0.698 -10.947 472 2HB ASN 61 2HB ASN 61 -7.123 1.561 -12.049 473 1HD2 ASN 61 1HD2 ASN 61 -9.278 2.230 -11.075 474 2HD2 ASN 61 2HD2 ASN 61 -9.244 2.951 -9.500 475 H PHE 62 H PHE 62 -6.914 -0.284 -13.691 476 HA PHE 62 HA PHE 62 -8.792 0.932 -15.200 477 1HB PHE 62 1HB PHE 62 -7.091 0.323 -16.645 478 2HB PHE 62 2HB PHE 62 -6.502 -0.843 -15.473 479 HD1 PHE 62 HD1 PHE 62 -7.284 -3.189 -15.562 480 HD2 PHE 62 HD2 PHE 62 -8.389 -0.370 -18.536 481 HE1 PHE 62 HE1 PHE 62 -7.967 -5.062 -17.086 482 HE2 PHE 62 HE2 PHE 62 -9.072 -2.245 -20.059 483 HZ PHE 62 HZ PHE 62 -8.852 -4.568 -19.317 484 H GLU 63 H GLU 63 -8.957 -2.290 -13.759 485 HA GLU 63 HA GLU 63 -11.014 -3.167 -15.513 486 1HB GLU 63 1HB GLU 63 -9.480 -4.261 -13.216 487 2HB GLU 63 2HB GLU 63 -11.124 -4.857 -13.330 488 1HG GLU 63 1HG GLU 63 -9.786 -4.790 -15.959 489 2HG GLU 63 2HG GLU 63 -8.918 -5.782 -14.806 490 H ASP 64 H ASP 64 -10.770 -1.831 -12.174 491 HA ASP 64 HA ASP 64 -13.403 -2.225 -11.474 492 1HB ASP 64 1HB ASP 64 -11.156 -1.137 -10.292 493 2HB ASP 64 2HB ASP 64 -12.121 0.305 -10.542 494 H VAL 65 H VAL 65 -11.805 0.077 -13.625 495 HA VAL 65 HA VAL 65 -14.147 1.816 -13.664 496 HB VAL 65 HB VAL 65 -12.632 3.394 -13.929 497 1HG1 VAL 65 3HG1 VAL 65 -11.109 1.813 -12.730 498 2HG1 VAL 65 1HG1 VAL 65 -10.486 1.283 -14.311 499 3HG1 VAL 65 2HG1 VAL 65 -10.260 2.969 -13.787 500 1HG2 VAL 65 1HG2 VAL 65 -11.920 1.878 -16.454 501 2HG2 VAL 65 2HG2 VAL 65 -12.968 3.307 -16.283 502 3HG2 VAL 65 3HG2 VAL 65 -11.211 3.454 -16.030 503 H GLY 66 H GLY 66 -13.472 -1.106 -14.888 504 1HA GLY 66 2HA GLY 66 -15.341 -1.370 -16.739 505 2HA GLY 66 1HA GLY 66 -13.787 -2.168 -16.886 506 H HIS 67 H HIS 67 -11.938 -0.580 -17.768 507 HA HIS 67 HA HIS 67 -12.647 1.556 -19.380 508 1HB HIS 67 1HB HIS 67 -10.287 -0.164 -18.962 509 2HB HIS 67 2HB HIS 67 -10.377 0.561 -20.555 510 HD1 HIS 67 HD1 HIS 67 -11.852 3.243 -19.312 511 HD2 HIS 67 HD2 HIS 67 -8.163 1.563 -18.233 512 HE1 HIS 67 HE1 HIS 67 -10.491 5.125 -18.255 513 HE2 HIS 67 HE2 HIS 67 -8.257 4.020 -17.564 514 H SER 68 H SER 68 -12.059 1.446 -21.917 515 HA SER 68 HA SER 68 -13.870 -0.582 -22.920 516 1HB SER 68 1HB SER 68 -14.344 0.869 -24.711 517 2HB SER 68 2HB SER 68 -14.118 1.972 -23.367 518 HG SER 68 HG SER 68 -12.957 2.685 -25.252 519 H THR 69 H THR 69 -13.297 -1.846 -24.847 520 HA THR 69 HA THR 69 -10.726 -2.886 -24.792 521 HB THR 69 HB THR 69 -13.092 -2.952 -26.691 522 HG1 THR 69 HG1 THR 69 -11.469 -4.769 -25.053 523 1HG2 THR 69 1HG2 THR 69 -10.272 -3.794 -27.266 524 2HG2 THR 69 2HG2 THR 69 -11.519 -5.034 -27.544 525 3HG2 THR 69 3HG2 THR 69 -11.608 -3.475 -28.398 526 H ASP 70 H ASP 70 -11.886 0.080 -26.188 527 HA ASP 70 HA ASP 70 -9.931 0.219 -28.208 528 1HB ASP 70 1HB ASP 70 -12.080 1.527 -28.187 529 2HB ASP 70 2HB ASP 70 -11.497 2.439 -26.809 530 H ALA 71 H ALA 71 -10.398 1.776 -24.945 531 HA ALA 71 HA ALA 71 -8.088 3.252 -24.849 532 1HB ALA 71 1HB ALA 71 -8.429 3.255 -22.449 533 2HB ALA 71 2HB ALA 71 -10.024 3.273 -23.238 534 3HB ALA 71 3HB ALA 71 -9.395 1.762 -22.538 535 H ARG 72 H ARG 72 -8.632 -0.223 -24.009 536 HA ARG 72 HA ARG 72 -6.067 -0.635 -23.055 537 1HB ARG 72 1HB ARG 72 -7.846 -2.706 -24.431 538 2HB ARG 72 2HB ARG 72 -6.599 -3.025 -23.243 539 1HG ARG 72 1HG ARG 72 -7.894 -1.727 -21.535 540 2HG ARG 72 2HG ARG 72 -9.144 -1.413 -22.724 541 1HD ARG 72 1HD ARG 72 -9.017 -4.132 -22.943 542 2HD ARG 72 2HD ARG 72 -8.492 -3.964 -21.279 543 HE ARG 72 HE ARG 72 -10.797 -2.310 -21.672 544 1HH1 ARG 72 2HH1 ARG 72 -12.850 -2.977 -20.924 545 2HH1 ARG 72 1HH1 ARG 72 -13.151 -4.653 -20.603 546 1HH2 ARG 72 2HH2 ARG 72 -9.913 -5.711 -21.500 547 2HH2 ARG 72 1HH2 ARG 72 -11.469 -6.218 -20.932 548 H GLU 73 H GLU 73 -7.573 -1.099 -26.318 549 HA GLU 73 HA GLU 73 -5.389 -2.263 -27.522 550 1HB GLU 73 1HB GLU 73 -7.962 -1.362 -28.283 551 2HB GLU 73 2HB GLU 73 -6.860 -0.508 -29.344 552 1HG GLU 73 1HG GLU 73 -5.812 -2.625 -30.045 553 2HG GLU 73 2HG GLU 73 -6.760 -3.525 -28.879 554 H LEU 74 H LEU 74 -6.279 1.200 -27.061 555 HA LEU 74 HA LEU 74 -4.272 2.273 -28.669 556 1HB LEU 74 1HB LEU 74 -5.258 4.162 -28.110 557 2HB LEU 74 2HB LEU 74 -6.381 3.205 -27.166 558 HG LEU 74 HG LEU 74 -4.460 3.481 -25.315 559 1HD1 LEU 74 2HD1 LEU 74 -3.559 5.198 -27.373 560 2HD1 LEU 74 3HD1 LEU 74 -4.169 6.237 -26.063 561 3HD1 LEU 74 1HD1 LEU 74 -2.916 5.019 -25.723 562 1HD2 LEU 74 1HD2 LEU 74 -6.989 4.698 -25.900 563 2HD2 LEU 74 2HD2 LEU 74 -6.234 4.362 -24.322 564 3HD2 LEU 74 3HD2 LEU 74 -5.915 5.904 -25.150 565 H SER 75 H SER 75 -4.314 1.214 -25.232 566 HA SER 75 HA SER 75 -1.843 2.259 -24.574 567 1HB SER 75 1HB SER 75 -2.122 -0.096 -23.061 568 2HB SER 75 2HB SER 75 -2.642 1.511 -22.597 569 HG SER 75 HG SER 75 -4.163 -0.675 -23.563 570 H LYS 76 H LYS 76 -2.808 -0.563 -26.462 571 HA LYS 76 HA LYS 76 -0.480 -2.088 -26.161 572 1HB LYS 76 1HB LYS 76 -1.459 -3.498 -27.639 573 2HB LYS 76 2HB LYS 76 -2.877 -2.543 -27.250 574 1HG LYS 76 1HG LYS 76 -2.995 -2.334 -29.544 575 2HG LYS 76 2HG LYS 76 -1.904 -0.994 -29.250 576 1HD LYS 76 1HD LYS 76 -0.037 -2.921 -29.425 577 2HD LYS 76 2HD LYS 76 -1.287 -3.742 -30.337 578 1HE LYS 76 1HE LYS 76 -0.704 -0.857 -31.013 579 2HE LYS 76 2HE LYS 76 0.450 -2.071 -31.527 580 1HZ LYS 76 3HZ LYS 76 -1.440 -3.260 -32.534 581 2HZ LYS 76 1HZ LYS 76 -2.411 -1.994 -32.179 582 3HZ LYS 76 2HZ LYS 76 -1.159 -1.800 -33.211 583 H THR 77 H THR 77 -1.026 0.983 -27.616 584 HA THR 77 HA THR 77 1.183 0.670 -29.494 585 HB THR 77 HB THR 77 -1.133 1.885 -29.877 586 HG1 THR 77 HG1 THR 77 1.518 3.079 -30.290 587 1HG2 THR 77 2HG2 THR 77 -0.322 3.416 -27.707 588 2HG2 THR 77 3HG2 THR 77 0.301 4.370 -29.074 589 3HG2 THR 77 1HG2 THR 77 -1.434 3.988 -28.974 590 H PHE 78 H PHE 78 0.582 1.665 -26.223 591 HA PHE 78 HA PHE 78 3.063 3.211 -26.224 592 1HB PHE 78 1HB PHE 78 0.623 2.864 -24.406 593 2HB PHE 78 2HB PHE 78 2.082 3.598 -23.770 594 HD1 PHE 78 HD1 PHE 78 1.412 4.235 -27.257 595 HD2 PHE 78 HD2 PHE 78 0.645 5.593 -23.312 596 HE1 PHE 78 HE1 PHE 78 0.688 6.462 -28.164 597 HE2 PHE 78 HE2 PHE 78 -0.079 7.819 -24.217 598 HZ PHE 78 HZ PHE 78 -0.048 8.226 -26.634 599 H ILE 79 H ILE 79 1.984 0.049 -25.772 600 HA ILE 79 HA ILE 79 3.171 -0.716 -23.388 601 HB ILE 79 HB ILE 79 2.296 -2.038 -25.893 602 1HG1 ILE 79 1HG1 ILE 79 1.643 -2.113 -22.969 603 2HG1 ILE 79 2HG1 ILE 79 0.586 -1.868 -24.345 604 1HG2 ILE 79 2HG2 ILE 79 4.479 -3.079 -25.550 605 2HG2 ILE 79 3HG2 ILE 79 4.051 -3.447 -23.863 606 3HG2 ILE 79 1HG2 ILE 79 3.159 -4.218 -25.195 607 1HD1 ILE 79 1HD1 ILE 79 1.140 -4.308 -25.019 608 2HD1 ILE 79 2HD1 ILE 79 1.832 -4.471 -23.387 609 3HD1 ILE 79 3HD1 ILE 79 0.107 -4.081 -23.587 610 H ILE 80 H ILE 80 5.244 -0.912 -22.708 611 HA ILE 80 HA ILE 80 7.304 -0.608 -24.776 612 HB ILE 80 HB ILE 80 8.504 -0.139 -22.340 613 1HG1 ILE 80 1HG1 ILE 80 6.964 1.648 -21.357 614 2HG1 ILE 80 2HG1 ILE 80 5.667 0.904 -22.269 615 1HG2 ILE 80 1HG2 ILE 80 7.638 1.405 -24.692 616 2HG2 ILE 80 2HG2 ILE 80 7.892 2.373 -23.221 617 3HG2 ILE 80 3HG2 ILE 80 9.208 1.356 -23.855 618 1HD1 ILE 80 3HD1 ILE 80 6.314 -1.326 -21.177 619 2HD1 ILE 80 1HD1 ILE 80 7.379 -0.386 -20.106 620 3HD1 ILE 80 2HD1 ILE 80 5.623 -0.103 -20.083 621 H GLY 81 H GLY 81 5.898 -2.706 -22.354 622 1HA GLY 81 2HA GLY 81 8.089 -4.306 -21.693 623 2HA GLY 81 1HA GLY 81 7.423 -4.925 -23.191 624 H GLU 82 H GLU 82 7.435 -6.135 -20.445 625 HA GLU 82 HA GLU 82 4.687 -5.968 -19.650 626 1HB GLU 82 1HB GLU 82 5.668 -8.745 -20.297 627 2HB GLU 82 2HB GLU 82 4.023 -8.155 -20.181 628 1HG GLU 82 1HG GLU 82 4.350 -6.831 -22.280 629 2HG GLU 82 2HG GLU 82 5.995 -7.424 -22.397 630 H LEU 83 H LEU 83 4.303 -7.483 -17.674 631 HA LEU 83 HA LEU 83 6.553 -7.118 -15.928 632 1HB LEU 83 1HB LEU 83 4.249 -6.580 -15.268 633 2HB LEU 83 2HB LEU 83 3.802 -8.266 -15.434 634 HG LEU 83 HG LEU 83 4.491 -8.742 -13.375 635 1HD1 LEU 83 1HD1 LEU 83 7.055 -7.383 -14.182 636 2HD1 LEU 83 2HD1 LEU 83 6.796 -7.989 -12.529 637 3HD1 LEU 83 3HD1 LEU 83 6.734 -9.111 -13.907 638 1HD2 LEU 83 2HD2 LEU 83 3.945 -5.990 -13.420 639 2HD2 LEU 83 3HD2 LEU 83 3.919 -7.083 -12.016 640 3HD2 LEU 83 1HD2 LEU 83 5.399 -6.176 -12.410 641 H HIS 84 H HIS 84 8.136 -8.575 -15.587 642 HA HIS 84 HA HIS 84 8.045 -11.082 -16.845 643 1HB HIS 84 1HB HIS 84 9.977 -9.416 -15.673 644 2HB HIS 84 2HB HIS 84 10.018 -10.885 -14.720 645 HD1 HIS 84 HD1 HIS 84 9.154 -11.146 -18.373 646 HD2 HIS 84 HD2 HIS 84 12.498 -11.618 -15.885 647 HE1 HIS 84 HE1 HIS 84 10.936 -12.306 -19.783 648 HE2 HIS 84 HE2 HIS 84 12.985 -12.520 -18.219 649 HA PRO 85 HA PRO 85 6.685 -13.707 -13.655 650 1HB PRO 85 1HB PRO 85 8.612 -15.586 -13.179 651 2HB PRO 85 2HB PRO 85 7.545 -15.639 -14.568 652 1HG PRO 85 1HG PRO 85 10.398 -14.874 -14.451 653 2HG PRO 85 2HG PRO 85 9.443 -15.341 -15.844 654 1HD PRO 85 1HD PRO 85 10.237 -12.681 -15.121 655 2HD PRO 85 2HD PRO 85 9.186 -13.137 -16.446 656 H ASP 86 H ASP 86 8.661 -11.405 -12.898 657 HA ASP 86 HA ASP 86 9.523 -12.300 -10.357 658 1HB ASP 86 1HB ASP 86 10.900 -10.577 -11.010 659 2HB ASP 86 2HB ASP 86 9.660 -9.829 -11.999 660 H ASP 87 H ASP 87 6.666 -10.766 -11.777 661 HA ASP 87 HA ASP 87 5.276 -11.030 -9.332 662 1HB ASP 87 1HB ASP 87 6.159 -8.322 -10.318 663 2HB ASP 87 2HB ASP 87 4.536 -8.448 -9.668 664 H ARG 88 H ARG 88 4.396 -12.443 -11.245 665 HA ARG 88 HA ARG 88 2.957 -10.932 -13.206 666 1HB ARG 88 1HB ARG 88 3.159 -13.948 -12.720 667 2HB ARG 88 2HB ARG 88 2.345 -13.220 -14.092 668 1HG ARG 88 1HG ARG 88 5.233 -12.498 -13.507 669 2HG ARG 88 2HG ARG 88 4.865 -14.006 -14.318 670 1HD ARG 88 1HD ARG 88 4.032 -11.220 -15.261 671 2HD ARG 88 2HD ARG 88 5.289 -12.212 -15.975 672 HE ARG 88 HE ARG 88 2.868 -13.736 -15.930 673 1HH1 ARG 88 2HH1 ARG 88 1.617 -13.996 -17.824 674 2HH1 ARG 88 1HH1 ARG 88 1.797 -12.884 -19.140 675 1HH2 ARG 88 2HH2 ARG 88 4.256 -10.933 -17.543 676 2HH2 ARG 88 1HH2 ARG 88 3.307 -11.130 -18.979 677 H SER 89 H SER 89 1.991 -13.814 -11.203 678 HA SER 89 HA SER 89 -0.698 -13.117 -11.265 679 1HB SER 89 1HB SER 89 0.791 -15.335 -10.504 680 2HB SER 89 2HB SER 89 0.173 -14.773 -8.964 681 HG SER 89 HG SER 89 -1.986 -14.647 -10.259 682 H LYS 90 H LYS 90 1.878 -11.650 -9.644 683 HA LYS 90 HA LYS 90 0.596 -11.108 -7.158 684 1HB LYS 90 1HB LYS 90 3.077 -10.103 -8.546 685 2HB LYS 90 2HB LYS 90 2.504 -9.356 -7.070 686 1HG LYS 90 1HG LYS 90 2.411 -12.211 -6.684 687 2HG LYS 90 2HG LYS 90 3.973 -11.826 -7.379 688 1HD LYS 90 1HD LYS 90 4.691 -10.753 -5.489 689 2HD LYS 90 2HD LYS 90 3.167 -9.917 -5.267 690 1HE LYS 90 1HE LYS 90 2.171 -11.786 -4.131 691 2HE LYS 90 2HE LYS 90 3.417 -12.892 -4.679 692 1HZ LYS 90 1HZ LYS 90 4.309 -10.627 -3.133 693 2HZ LYS 90 2HZ LYS 90 3.463 -11.764 -2.322 694 3HZ LYS 90 3HZ LYS 90 4.833 -12.174 -3.112 695 H ILE 91 H ILE 91 0.378 -9.874 -10.411 696 HA ILE 91 HA ILE 91 -1.265 -7.678 -9.372 697 HB ILE 91 HB ILE 91 -0.408 -6.155 -10.902 698 1HG1 ILE 91 1HG1 ILE 91 0.936 -8.473 -12.317 699 2HG1 ILE 91 2HG1 ILE 91 -0.419 -7.530 -12.901 700 1HG2 ILE 91 3HG2 ILE 91 1.193 -7.191 -8.986 701 2HG2 ILE 91 1HG2 ILE 91 2.219 -7.430 -10.421 702 3HG2 ILE 91 2HG2 ILE 91 1.631 -5.802 -10.008 703 1HD1 ILE 91 3HD1 ILE 91 1.862 -5.828 -12.129 704 2HD1 ILE 91 1HD1 ILE 91 2.272 -6.995 -13.409 705 3HD1 ILE 91 2HD1 ILE 91 0.928 -5.853 -13.643 706 H THR 92 H THR 92 -0.575 -10.135 -11.877 707 HA THR 92 HA THR 92 -2.285 -9.836 -13.819 708 HB THR 92 HB THR 92 -0.963 -11.955 -12.848 709 HG1 THR 92 HG1 THR 92 -3.503 -12.097 -14.314 710 1HG2 THR 92 3HG2 THR 92 -3.902 -12.551 -12.209 711 2HG2 THR 92 1HG2 THR 92 -2.578 -13.743 -12.211 712 3HG2 THR 92 2HG2 THR 92 -2.597 -12.436 -11.003 713 H LYS 93 H LYS 93 -4.409 -9.604 -14.328 714 HA LYS 93 HA LYS 93 -6.149 -8.522 -12.584 715 1HB LYS 93 1HB LYS 93 -6.381 -8.629 -15.058 716 2HB LYS 93 2HB LYS 93 -6.878 -10.304 -14.928 717 1HG LYS 93 1HG LYS 93 -8.435 -8.683 -13.072 718 2HG LYS 93 2HG LYS 93 -8.517 -7.979 -14.675 719 1HD LYS 93 1HD LYS 93 -9.557 -9.863 -15.608 720 2HD LYS 93 2HD LYS 93 -8.853 -10.966 -14.446 721 1HE LYS 93 1HE LYS 93 -10.481 -9.136 -12.952 722 2HE LYS 93 2HE LYS 93 -11.428 -9.626 -14.343 723 1HZ LYS 93 3HZ LYS 93 -10.083 -11.831 -13.227 724 2HZ LYS 93 1HZ LYS 93 -10.982 -11.082 -12.086 725 3HZ LYS 93 2HZ LYS 93 -11.686 -11.612 -13.461 726 HA PRO 94 HA PRO 94 -6.841 -12.034 -10.003 727 1HB PRO 94 1HB PRO 94 -7.634 -10.633 -7.793 728 2HB PRO 94 2HB PRO 94 -5.960 -11.035 -8.125 729 1HG PRO 94 1HG PRO 94 -7.333 -8.432 -8.403 730 2HG PRO 94 2HG PRO 94 -5.615 -8.762 -8.314 731 1HD PRO 94 1HD PRO 94 -7.121 -8.124 -10.671 732 2HD PRO 94 2HD PRO 94 -5.427 -8.567 -10.598 733 H SER 95 H SER 95 -8.858 -12.170 -8.124 734 HA SER 95 HA SER 95 -11.085 -12.084 -9.981 735 1HB SER 95 1HB SER 95 -10.435 -14.252 -8.827 736 2HB SER 95 2HB SER 95 -10.888 -13.523 -7.299 737 HG SER 95 HG SER 95 -12.502 -14.556 -9.334 738 H GLU 96 H GLU 96 -12.298 -10.229 -9.824 739 HA GLU 96 HA GLU 96 -12.168 -8.421 -7.824 740 1HB GLU 96 1HB GLU 96 -13.784 -8.880 -10.153 741 2HB GLU 96 2HB GLU 96 -14.867 -8.428 -8.852 742 1HG GLU 96 1HG GLU 96 -14.183 -6.363 -9.863 743 2HG GLU 96 2HG GLU 96 -13.297 -6.463 -8.356 744 H SER 97 H SER 97 -13.963 -7.750 -6.233 745 HA SER 97 HA SER 97 -15.682 -9.805 -5.339 746 1HB SER 97 1HB SER 97 -13.017 -9.570 -4.135 747 2HB SER 97 2HB SER 97 -14.276 -9.323 -2.941 748 HG SER 97 HG SER 97 -13.775 -11.564 -3.090 749 H ILE 98 H ILE 98 -16.784 -9.019 -3.158 750 HA ILE 98 HA ILE 98 -16.795 -6.084 -3.131 751 HB ILE 98 HB ILE 98 -18.701 -7.093 -4.418 752 1HG1 ILE 98 1HG1 ILE 98 -19.794 -5.637 -2.036 753 2HG1 ILE 98 2HG1 ILE 98 -18.596 -4.843 -3.037 754 1HG2 ILE 98 1HG2 ILE 98 -19.045 -9.081 -3.023 755 2HG2 ILE 98 2HG2 ILE 98 -19.584 -8.045 -1.680 756 3HG2 ILE 98 3HG2 ILE 98 -20.534 -8.119 -3.183 757 1HD1 ILE 98 3HD1 ILE 98 -20.229 -5.813 -4.995 758 2HD1 ILE 98 1HD1 ILE 98 -21.413 -5.603 -3.682 759 3HD1 ILE 98 2HD1 ILE 98 -20.451 -4.214 -4.245 760 H ILE 99 H ILE 99 -17.651 -5.179 -1.048 761 HA ILE 99 HA ILE 99 -17.430 -7.065 1.167 762 HB ILE 99 HB ILE 99 -15.813 -5.843 2.321 763 1HG1 ILE 99 1HG1 ILE 99 -16.538 -3.593 2.005 764 2HG1 ILE 99 2HG1 ILE 99 -14.868 -3.688 1.483 765 1HG2 ILE 99 3HG2 ILE 99 -15.131 -7.201 0.186 766 2HG2 ILE 99 1HG2 ILE 99 -14.650 -5.600 -0.431 767 3HG2 ILE 99 2HG2 ILE 99 -13.926 -6.233 1.068 768 1HD1 ILE 99 1HD1 ILE 99 -15.953 -4.179 -0.902 769 2HD1 ILE 99 2HD1 ILE 99 -17.366 -3.374 -0.179 770 3HD1 ILE 99 3HD1 ILE 99 -15.815 -2.511 -0.298 771 H THR 100 H THR 100 -17.656 -5.220 3.262 772 HA THR 100 HA THR 100 -20.014 -3.621 2.577 773 HB THR 100 HB THR 100 -21.242 -4.627 4.474 774 HG1 THR 100 HG1 THR 100 -18.756 -6.187 4.587 775 1HG2 THR 100 3HG2 THR 100 -21.121 -5.912 2.185 776 2HG2 THR 100 1HG2 THR 100 -19.989 -6.997 3.026 777 3HG2 THR 100 2HG2 THR 100 -21.658 -6.821 3.618 778 H THR 101 H THR 101 -20.691 -2.457 4.841 779 HA THR 101 HA THR 101 -18.416 -1.736 6.427 780 HB THR 101 HB THR 101 -18.071 -0.459 4.247 781 HG1 THR 101 HG1 THR 101 -17.366 0.360 6.352 782 1HG2 THR 101 3HG2 THR 101 -20.878 0.237 4.767 783 2HG2 THR 101 1HG2 THR 101 -19.856 1.693 4.715 784 3HG2 THR 101 2HG2 THR 101 -19.890 0.580 3.326 785 H ILE 102 H ILE 102 -19.045 0.087 8.001 786 HA ILE 102 HA ILE 102 -21.904 -0.237 8.606 787 HB ILE 102 HB ILE 102 -20.300 -1.480 10.086 788 1HG1 ILE 102 1HG1 ILE 102 -21.782 0.582 11.694 789 2HG1 ILE 102 2HG1 ILE 102 -22.673 -0.507 10.647 790 1HG2 ILE 102 1HG2 ILE 102 -18.956 1.007 10.117 791 2HG2 ILE 102 2HG2 ILE 102 -19.579 0.735 11.762 792 3HG2 ILE 102 3HG2 ILE 102 -18.539 -0.487 10.992 793 1HD1 ILE 102 3HD1 ILE 102 -21.456 -2.451 11.765 794 2HD1 ILE 102 1HD1 ILE 102 -20.797 -1.274 12.926 795 3HD1 ILE 102 2HD1 ILE 102 -22.554 -1.543 12.832 796 H ASP 103 H ASP 103 -22.725 1.620 10.062 797 HA ASP 103 HA ASP 103 -21.474 4.073 9.096 798 1HB ASP 103 1HB ASP 103 -24.217 3.096 8.936 799 2HB ASP 103 2HB ASP 103 -24.181 4.584 9.860 800 H SER 104 H SER 104 -22.053 6.019 10.629 801 HA SER 104 HA SER 104 -21.979 5.012 13.362 802 1HB SER 104 1HB SER 104 -20.882 7.229 13.890 803 2HB SER 104 2HB SER 104 -19.943 6.191 12.835 804 HG SER 104 HG SER 104 -20.553 8.689 12.348 No H/Q in entry = 804 Start of MODEL 26 1 H ALA 1 H ALA 1 30.079 -2.333 -28.397 2 HA ALA 1 HA ALA 1 31.780 -0.611 -29.763 3 1HB ALA 1 2HB ALA 1 30.589 -2.768 -31.386 4 2HB ALA 1 1HB ALA 1 31.936 -1.667 -31.760 5 3HB ALA 1 3HB ALA 1 30.256 -1.133 -32.010 6 H GLU 2 H GLU 2 28.383 -1.902 -29.966 7 HA GLU 2 HA GLU 2 27.252 0.068 -28.489 8 1HB GLU 2 1HB GLU 2 27.989 1.045 -31.128 9 2HB GLU 2 2HB GLU 2 26.244 1.071 -30.960 10 1HG GLU 2 1HG GLU 2 26.301 2.779 -29.449 11 2HG GLU 2 2HG GLU 2 27.586 2.032 -28.520 12 H GLU 3 H GLU 3 25.630 -1.279 -27.815 13 HA GLU 3 HA GLU 3 23.460 -1.801 -29.348 14 1HB GLU 3 1HB GLU 3 25.600 -3.613 -30.017 15 2HB GLU 3 2HB GLU 3 24.352 -4.533 -29.203 16 1HG GLU 3 1HG GLU 3 22.721 -4.038 -30.830 17 2HG GLU 3 2HG GLU 3 23.516 -2.561 -31.334 18 H SER 4 H SER 4 21.983 -1.829 -27.713 19 HA SER 4 HA SER 4 21.971 -3.841 -25.815 20 1HB SER 4 1HB SER 4 22.443 -2.581 -23.750 21 2HB SER 4 2HB SER 4 23.852 -2.606 -24.790 22 HG SER 4 HG SER 4 22.984 -0.442 -25.609 23 H SER 5 H SER 5 20.007 -3.724 -24.476 24 HA SER 5 HA SER 5 17.938 -3.205 -24.075 25 1HB SER 5 1HB SER 5 19.275 -0.731 -23.946 26 2HB SER 5 2HB SER 5 17.873 -0.397 -24.941 27 HG SER 5 HG SER 5 16.876 -1.852 -22.984 28 H LYS 6 H LYS 6 16.159 -3.764 -25.296 29 HA LYS 6 HA LYS 6 15.569 -2.439 -27.736 30 1HB LYS 6 1HB LYS 6 17.383 -4.596 -27.945 31 2HB LYS 6 2HB LYS 6 15.840 -5.213 -28.502 32 1HG LYS 6 1HG LYS 6 15.621 -3.162 -29.987 33 2HG LYS 6 2HG LYS 6 17.236 -2.686 -29.500 34 1HD LYS 6 1HD LYS 6 17.867 -5.166 -30.269 35 2HD LYS 6 2HD LYS 6 16.381 -5.046 -31.189 36 1HE LYS 6 1HE LYS 6 17.312 -2.771 -32.065 37 2HE LYS 6 2HE LYS 6 18.853 -3.279 -31.402 38 1HZ LYS 6 2HZ LYS 6 17.350 -5.043 -33.182 39 2HZ LYS 6 3HZ LYS 6 18.319 -3.876 -33.786 40 3HZ LYS 6 1HZ LYS 6 18.947 -5.055 -32.847 41 H ALA 7 H ALA 7 13.572 -2.040 -26.740 42 HA ALA 7 HA ALA 7 11.523 -2.459 -26.013 43 1HB ALA 7 2HB ALA 7 11.925 -4.813 -27.893 44 2HB ALA 7 1HB ALA 7 11.168 -3.245 -28.259 45 3HB ALA 7 3HB ALA 7 10.355 -4.394 -27.169 46 H VAL 8 H VAL 8 12.106 -2.714 -23.788 47 HA VAL 8 HA VAL 8 13.199 -4.686 -22.453 48 HB VAL 8 HB VAL 8 12.425 -3.327 -20.890 49 1HG1 VAL 8 1HG1 VAL 8 10.412 -2.591 -22.990 50 2HG1 VAL 8 2HG1 VAL 8 10.163 -2.035 -21.318 51 3HG1 VAL 8 3HG1 VAL 8 11.648 -1.590 -22.192 52 1HG2 VAL 8 2HG2 VAL 8 11.022 -5.477 -20.555 53 2HG2 VAL 8 3HG2 VAL 8 10.545 -4.006 -19.673 54 3HG2 VAL 8 1HG2 VAL 8 9.654 -4.495 -21.134 55 H LYS 9 H LYS 9 9.622 -4.802 -23.121 56 HA LYS 9 HA LYS 9 8.385 -6.528 -23.831 57 1HB LYS 9 1HB LYS 9 10.804 -7.381 -24.715 58 2HB LYS 9 2HB LYS 9 10.451 -8.640 -23.548 59 1HG LYS 9 1HG LYS 9 8.204 -8.983 -24.623 60 2HG LYS 9 2HG LYS 9 8.592 -7.752 -25.807 61 1HD LYS 9 1HD LYS 9 10.749 -9.226 -26.255 62 2HD LYS 9 2HD LYS 9 9.839 -10.494 -25.459 63 1HE LYS 9 1HE LYS 9 8.236 -9.039 -27.479 64 2HE LYS 9 2HE LYS 9 9.657 -9.803 -28.166 65 1HZ LYS 9 1HZ LYS 9 8.161 -11.408 -26.307 66 2HZ LYS 9 2HZ LYS 9 7.404 -11.080 -27.716 67 3HZ LYS 9 3HZ LYS 9 8.856 -11.828 -27.724 68 H TYR 10 H TYR 10 10.760 -7.236 -21.202 69 HA TYR 10 HA TYR 10 8.468 -7.977 -19.533 70 1HB TYR 10 1HB TYR 10 10.644 -9.577 -18.720 71 2HB TYR 10 2HB TYR 10 9.309 -10.149 -19.698 72 HD1 TYR 10 HD1 TYR 10 12.745 -8.733 -19.874 73 HD2 TYR 10 HD2 TYR 10 9.628 -10.783 -21.970 74 HE1 TYR 10 HE1 TYR 10 14.349 -9.236 -21.781 75 HE2 TYR 10 HE2 TYR 10 11.242 -11.277 -23.870 76 HH TYR 10 HH TYR 10 14.604 -10.812 -23.547 77 H TYR 11 H TYR 11 8.494 -6.988 -17.564 78 HA TYR 11 HA TYR 11 11.083 -6.024 -16.583 79 1HB TYR 11 1HB TYR 11 8.630 -4.585 -17.495 80 2HB TYR 11 2HB TYR 11 9.077 -4.140 -15.861 81 HD1 TYR 11 HD1 TYR 11 9.058 -2.301 -18.289 82 HD2 TYR 11 HD2 TYR 11 12.166 -4.644 -16.513 83 HE1 TYR 11 HE1 TYR 11 10.803 -0.692 -19.201 84 HE2 TYR 11 HE2 TYR 11 13.900 -3.028 -17.430 85 HH TYR 11 HH TYR 11 13.726 -0.390 -18.094 86 H THR 12 H THR 12 10.810 -5.215 -14.211 87 HA THR 12 HA THR 12 9.041 -7.140 -12.855 88 HB THR 12 HB THR 12 10.740 -7.146 -11.095 89 HG1 THR 12 HG1 THR 12 12.407 -5.533 -11.215 90 1HG2 THR 12 3HG2 THR 12 11.422 -7.807 -13.817 91 2HG2 THR 12 1HG2 THR 12 12.834 -7.003 -13.090 92 3HG2 THR 12 2HG2 THR 12 12.146 -8.456 -12.326 93 H LEU 13 H LEU 13 7.870 -6.496 -10.986 94 HA LEU 13 HA LEU 13 6.485 -4.184 -11.216 95 1HB LEU 13 1HB LEU 13 6.961 -6.186 -9.128 96 2HB LEU 13 2HB LEU 13 6.488 -4.619 -8.501 97 HG LEU 13 HG LEU 13 4.947 -6.478 -10.297 98 1HD1 LEU 13 3HD1 LEU 13 4.911 -5.868 -7.540 99 2HD1 LEU 13 1HD1 LEU 13 3.428 -5.171 -8.238 100 3HD1 LEU 13 2HD1 LEU 13 3.788 -6.901 -8.455 101 1HD2 LEU 13 2HD2 LEU 13 4.622 -3.495 -10.055 102 2HD2 LEU 13 3HD2 LEU 13 4.619 -4.519 -11.511 103 3HD2 LEU 13 1HD2 LEU 13 3.232 -4.553 -10.395 104 H GLU 14 H GLU 14 9.643 -4.711 -9.603 105 HA GLU 14 HA GLU 14 9.727 -2.223 -8.365 106 1HB GLU 14 1HB GLU 14 11.424 -4.521 -8.660 107 2HB GLU 14 2HB GLU 14 12.384 -3.114 -9.073 108 1HG GLU 14 1HG GLU 14 12.673 -3.173 -6.752 109 2HG GLU 14 2HG GLU 14 11.324 -2.062 -6.886 110 H GLU 15 H GLU 15 11.140 -3.409 -11.494 111 HA GLU 15 HA GLU 15 12.372 -1.105 -12.235 112 1HB GLU 15 1HB GLU 15 12.513 -3.320 -13.406 113 2HB GLU 15 2HB GLU 15 10.909 -3.062 -14.063 114 1HG GLU 15 1HG GLU 15 11.801 -1.874 -15.772 115 2HG GLU 15 2HG GLU 15 12.404 -0.687 -14.634 116 H ILE 16 H ILE 16 8.909 -2.019 -12.493 117 HA ILE 16 HA ILE 16 8.247 0.305 -14.023 118 HB ILE 16 HB ILE 16 6.377 -1.512 -12.514 119 1HG1 ILE 16 1HG1 ILE 16 6.836 -2.134 -15.348 120 2HG1 ILE 16 2HG1 ILE 16 8.244 -2.412 -14.343 121 1HG2 ILE 16 2HG2 ILE 16 6.022 0.750 -14.225 122 2HG2 ILE 16 3HG2 ILE 16 5.396 -0.697 -15.053 123 3HG2 ILE 16 1HG2 ILE 16 4.793 -0.266 -13.434 124 1HD1 ILE 16 3HD1 ILE 16 5.889 -3.370 -12.944 125 2HD1 ILE 16 1HD1 ILE 16 5.933 -4.059 -14.584 126 3HD1 ILE 16 2HD1 ILE 16 7.314 -4.287 -13.485 127 H GLN 17 H GLN 17 8.369 -0.648 -10.588 128 HA GLN 17 HA GLN 17 6.828 1.459 -9.636 129 1HB GLN 17 1HB GLN 17 7.854 -0.749 -8.504 130 2HB GLN 17 2HB GLN 17 9.111 0.364 -8.004 131 1HG GLN 17 1HG GLN 17 6.406 1.481 -7.603 132 2HG GLN 17 2HG GLN 17 6.641 -0.020 -6.727 133 1HE2 GLN 17 1HE2 GLN 17 6.796 3.177 -6.422 134 2HE2 GLN 17 2HE2 GLN 17 8.042 3.378 -5.236 135 H LYS 18 H LYS 18 10.226 1.199 -10.652 136 HA LYS 18 HA LYS 18 11.061 3.606 -9.401 137 1HB LYS 18 1HB LYS 18 12.306 2.075 -11.705 138 2HB LYS 18 2HB LYS 18 13.087 3.311 -10.739 139 1HG LYS 18 1HG LYS 18 11.854 0.914 -9.357 140 2HG LYS 18 2HG LYS 18 13.410 0.741 -10.142 141 1HD LYS 18 1HD LYS 18 12.716 2.768 -7.965 142 2HD LYS 18 2HD LYS 18 13.700 1.333 -7.756 143 1HE LYS 18 1HE LYS 18 15.502 2.624 -8.260 144 2HE LYS 18 2HE LYS 18 14.929 2.635 -9.918 145 1HZ LYS 18 2HZ LYS 18 13.633 4.594 -9.385 146 2HZ LYS 18 3HZ LYS 18 14.188 4.588 -7.849 147 3HZ LYS 18 1HZ LYS 18 15.220 4.851 -9.088 148 H HIS 19 H HIS 19 9.418 2.740 -12.414 149 HA HIS 19 HA HIS 19 9.846 5.424 -13.439 150 1HB HIS 19 1HB HIS 19 8.789 2.855 -14.601 151 2HB HIS 19 2HB HIS 19 8.458 4.384 -15.389 152 HD1 HIS 19 HD1 HIS 19 10.190 5.166 -17.019 153 HD2 HIS 19 HD2 HIS 19 11.747 2.438 -14.238 154 HE1 HIS 19 HE1 HIS 19 12.597 4.711 -17.735 155 HE2 HIS 19 HE2 HIS 19 13.518 3.070 -15.959 156 H ASN 20 H ASN 20 8.605 6.730 -12.050 157 HA ASN 20 HA ASN 20 5.759 6.367 -12.444 158 1HB ASN 20 1HB ASN 20 6.128 5.434 -10.215 159 2HB ASN 20 2HB ASN 20 7.175 6.765 -9.763 160 1HD2 ASN 20 1HD2 ASN 20 4.269 7.177 -11.670 161 2HD2 ASN 20 2HD2 ASN 20 3.313 8.002 -10.484 162 H ASN 21 H ASN 21 7.976 8.147 -13.514 163 HA ASN 21 HA ASN 21 7.165 10.679 -12.338 164 1HB ASN 21 1HB ASN 21 9.503 10.064 -14.224 165 2HB ASN 21 2HB ASN 21 9.199 11.608 -13.451 166 1HD2 ASN 21 1HD2 ASN 21 10.365 8.381 -13.102 167 2HD2 ASN 21 2HD2 ASN 21 11.002 8.498 -11.496 168 H SER 22 H SER 22 6.901 12.528 -14.011 169 HA SER 22 HA SER 22 5.107 11.706 -15.981 170 1HB SER 22 1HB SER 22 5.292 14.159 -16.709 171 2HB SER 22 2HB SER 22 4.792 13.876 -15.053 172 HG SER 22 HG SER 22 7.584 14.197 -15.614 173 H LYS 23 H LYS 23 8.476 11.504 -15.878 174 HA LYS 23 HA LYS 23 8.673 11.763 -18.797 175 1HB LYS 23 1HB LYS 23 10.890 12.455 -18.585 176 2HB LYS 23 2HB LYS 23 10.064 13.310 -17.298 177 1HG LYS 23 1HG LYS 23 10.789 11.568 -15.662 178 2HG LYS 23 2HG LYS 23 11.595 10.688 -16.947 179 1HD LYS 23 1HD LYS 23 12.423 13.509 -16.899 180 2HD LYS 23 2HD LYS 23 12.710 12.734 -15.354 181 1HE LYS 23 1HE LYS 23 13.607 10.779 -17.091 182 2HE LYS 23 2HE LYS 23 13.999 12.228 -17.995 183 1HZ LYS 23 1HZ LYS 23 15.056 13.051 -15.925 184 2HZ LYS 23 2HZ LYS 23 14.853 11.570 -15.266 185 3HZ LYS 23 3HZ LYS 23 15.797 11.754 -16.588 186 H SER 24 H SER 24 8.328 9.589 -16.239 187 HA SER 24 HA SER 24 9.043 7.447 -17.963 188 1HB SER 24 1HB SER 24 10.912 8.330 -15.900 189 2HB SER 24 2HB SER 24 10.376 6.695 -15.574 190 HG SER 24 HG SER 24 10.841 6.619 -18.149 191 H THR 25 H THR 25 6.563 7.685 -17.443 192 HA THR 25 HA THR 25 5.926 6.459 -14.857 193 HB THR 25 HB THR 25 3.548 7.160 -16.141 194 HG1 THR 25 HG1 THR 25 4.219 9.317 -17.019 195 1HG2 THR 25 1HG2 THR 25 5.231 8.233 -13.999 196 2HG2 THR 25 2HG2 THR 25 4.485 9.556 -14.927 197 3HG2 THR 25 3HG2 THR 25 3.460 8.313 -14.169 198 H TRP 26 H TRP 26 6.294 4.293 -15.013 199 HA TRP 26 HA TRP 26 5.036 2.955 -17.305 200 1HB TRP 26 1HB TRP 26 7.228 1.961 -15.476 201 2HB TRP 26 2HB TRP 26 6.540 1.091 -16.832 202 HD1 TRP 26 HD1 TRP 26 6.735 4.420 -18.202 203 HE1 TRP 26 HE1 TRP 26 8.937 4.944 -19.559 204 HE3 TRP 26 HE3 TRP 26 9.406 0.487 -16.399 205 HZ2 TRP 26 HZ2 TRP 26 11.491 3.682 -19.721 206 HZ3 TRP 26 HZ3 TRP 26 11.747 0.205 -17.208 207 HH2 TRP 26 HH2 TRP 26 12.795 1.725 -18.812 208 H LEU 27 H LEU 27 3.472 1.353 -16.900 209 HA LEU 27 HA LEU 27 2.964 0.658 -14.123 210 1HB LEU 27 1HB LEU 27 0.813 1.435 -14.011 211 2HB LEU 27 2HB LEU 27 1.645 2.742 -14.829 212 HG LEU 27 HG LEU 27 -0.358 2.540 -15.994 213 1HD1 LEU 27 3HD1 LEU 27 1.898 2.273 -17.357 214 2HD1 LEU 27 1HD1 LEU 27 1.174 0.703 -17.783 215 3HD1 LEU 27 2HD1 LEU 27 0.307 2.214 -18.153 216 1HD2 LEU 27 3HD2 LEU 27 -0.487 -0.012 -14.948 217 2HD2 LEU 27 1HD2 LEU 27 -1.665 0.734 -16.054 218 3HD2 LEU 27 2HD2 LEU 27 -0.366 -0.297 -16.701 219 H ILE 28 H ILE 28 0.991 -1.030 -14.167 220 HA ILE 28 HA ILE 28 1.598 -2.831 -16.408 221 HB ILE 28 HB ILE 28 0.491 -3.927 -13.899 222 1HG1 ILE 28 1HG1 ILE 28 2.186 -2.134 -13.213 223 2HG1 ILE 28 2HG1 ILE 28 2.406 -3.752 -12.577 224 1HG2 ILE 28 1HG2 ILE 28 1.542 -4.962 -16.205 225 2HG2 ILE 28 2HG2 ILE 28 2.926 -5.062 -15.090 226 3HG2 ILE 28 3HG2 ILE 28 1.379 -5.835 -14.662 227 1HD1 ILE 28 2HD1 ILE 28 3.758 -3.140 -15.187 228 2HD1 ILE 28 3HD1 ILE 28 4.422 -2.374 -13.723 229 3HD1 ILE 28 1HD1 ILE 28 4.314 -4.147 -13.829 230 H LEU 29 H LEU 29 -0.075 -3.614 -17.640 231 HA LEU 29 HA LEU 29 -2.780 -3.032 -16.680 232 1HB LEU 29 1HB LEU 29 -1.440 -1.645 -18.746 233 2HB LEU 29 2HB LEU 29 -2.607 -2.693 -19.527 234 HG LEU 29 HG LEU 29 -3.057 -0.386 -17.671 235 1HD1 LEU 29 1HD1 LEU 29 -4.313 -1.313 -20.266 236 2HD1 LEU 29 2HD1 LEU 29 -4.848 0.107 -19.335 237 3HD1 LEU 29 3HD1 LEU 29 -3.206 0.059 -20.024 238 1HD2 LEU 29 3HD2 LEU 29 -4.563 -2.913 -17.598 239 2HD2 LEU 29 1HD2 LEU 29 -4.480 -1.582 -16.420 240 3HD2 LEU 29 2HD2 LEU 29 -5.565 -1.459 -17.825 241 H HIS 30 H HIS 30 -3.821 -4.936 -16.504 242 HA HIS 30 HA HIS 30 -4.598 -6.928 -17.015 243 1HB HIS 30 1HB HIS 30 -3.335 -7.205 -19.676 244 2HB HIS 30 2HB HIS 30 -4.993 -7.477 -19.176 245 HD1 HIS 30 HD1 HIS 30 -2.792 -4.998 -20.810 246 HD2 HIS 30 HD2 HIS 30 -6.587 -5.028 -19.021 247 HE1 HIS 30 HE1 HIS 30 -3.954 -2.854 -21.560 248 HE2 HIS 30 HE2 HIS 30 -6.301 -2.955 -20.474 249 H TYR 31 H TYR 31 -1.290 -6.618 -18.499 250 HA TYR 31 HA TYR 31 -0.045 -8.179 -16.562 251 1HB TYR 31 1HB TYR 31 0.238 -10.260 -18.015 252 2HB TYR 31 2HB TYR 31 -1.431 -10.009 -17.543 253 HD1 TYR 31 HD1 TYR 31 -3.085 -9.140 -19.198 254 HD2 TYR 31 HD2 TYR 31 0.925 -10.127 -20.321 255 HE1 TYR 31 HE1 TYR 31 -3.774 -9.188 -21.644 256 HE2 TYR 31 HE2 TYR 31 0.221 -10.171 -22.764 257 HH TYR 31 HH TYR 31 -1.842 -10.542 -24.034 258 H LYS 32 H LYS 32 -0.087 -5.994 -18.963 259 HA LYS 32 HA LYS 32 2.695 -6.559 -19.725 260 1HB LYS 32 1HB LYS 32 0.608 -5.063 -21.340 261 2HB LYS 32 2HB LYS 32 2.264 -5.382 -21.820 262 1HG LYS 32 1HG LYS 32 1.886 -7.727 -22.033 263 2HG LYS 32 2HG LYS 32 0.433 -7.679 -21.055 264 1HD LYS 32 1HD LYS 32 -0.592 -7.748 -23.122 265 2HD LYS 32 2HD LYS 32 -0.379 -6.010 -23.026 266 1HE LYS 32 1HE LYS 32 1.917 -6.375 -24.176 267 2HE LYS 32 2HE LYS 32 1.385 -8.014 -24.498 268 1HZ LYS 32 3HZ LYS 32 -0.687 -6.398 -25.252 269 2HZ LYS 32 1HZ LYS 32 0.652 -5.646 -25.809 270 3HZ LYS 32 2HZ LYS 32 0.346 -7.191 -26.239 271 H VAL 33 H VAL 33 3.925 -4.449 -20.261 272 HA VAL 33 HA VAL 33 3.175 -2.477 -18.214 273 HB VAL 33 HB VAL 33 5.941 -2.872 -19.320 274 1HG1 VAL 33 1HG1 VAL 33 5.302 -0.854 -17.933 275 2HG1 VAL 33 2HG1 VAL 33 5.044 -1.968 -16.570 276 3HG1 VAL 33 3HG1 VAL 33 6.659 -1.819 -17.305 277 1HG2 VAL 33 3HG2 VAL 33 4.435 -4.757 -17.668 278 2HG2 VAL 33 1HG2 VAL 33 6.005 -4.950 -18.485 279 3HG2 VAL 33 2HG2 VAL 33 5.927 -4.194 -16.876 280 H TYR 34 H TYR 34 2.762 -0.409 -18.857 281 HA TYR 34 HA TYR 34 3.502 0.263 -21.624 282 1HB TYR 34 1HB TYR 34 1.073 1.213 -19.999 283 2HB TYR 34 2HB TYR 34 1.298 1.384 -21.728 284 HD1 TYR 34 HD1 TYR 34 0.170 -0.084 -23.129 285 HD2 TYR 34 HD2 TYR 34 1.092 -1.332 -19.141 286 HE1 TYR 34 HE1 TYR 34 -1.107 -2.251 -23.503 287 HE2 TYR 34 HE2 TYR 34 -0.187 -3.494 -19.529 288 HH TYR 34 HH TYR 34 -1.869 -4.066 -22.603 289 H ASP 35 H ASP 35 4.011 2.496 -22.036 290 HA ASP 35 HA ASP 35 5.038 3.759 -19.657 291 1HB ASP 35 1HB ASP 35 5.797 3.604 -22.435 292 2HB ASP 35 2HB ASP 35 5.506 5.292 -22.069 293 H LEU 36 H LEU 36 3.114 4.692 -18.711 294 HA LEU 36 HA LEU 36 1.069 5.915 -20.069 295 1HB LEU 36 1HB LEU 36 2.194 6.458 -17.321 296 2HB LEU 36 2HB LEU 36 0.684 7.126 -17.911 297 HG LEU 36 HG LEU 36 1.342 4.219 -17.392 298 1HD1 LEU 36 3HD1 LEU 36 0.216 6.269 -15.800 299 2HD1 LEU 36 1HD1 LEU 36 -1.103 5.150 -16.220 300 3HD1 LEU 36 2HD1 LEU 36 0.367 4.534 -15.428 301 1HD2 LEU 36 3HD2 LEU 36 -0.798 5.422 -19.088 302 2HD2 LEU 36 1HD2 LEU 36 0.069 3.876 -19.251 303 3HD2 LEU 36 2HD2 LEU 36 -1.228 4.045 -18.043 304 H THR 37 H THR 37 4.360 7.017 -19.465 305 HA THR 37 HA THR 37 4.239 9.698 -19.511 306 HB THR 37 HB THR 37 6.058 7.796 -21.078 307 HG1 THR 37 HG1 THR 37 7.325 8.297 -19.078 308 1HG2 THR 37 2HG2 THR 37 6.431 10.730 -20.274 309 2HG2 THR 37 3HG2 THR 37 7.739 9.667 -20.847 310 3HG2 THR 37 1HG2 THR 37 6.399 10.096 -21.937 311 H LYS 38 H LYS 38 3.324 7.529 -22.173 312 HA LYS 38 HA LYS 38 3.205 9.656 -24.078 313 1HB LYS 38 1HB LYS 38 3.672 7.548 -24.986 314 2HB LYS 38 2HB LYS 38 2.427 6.748 -24.048 315 1HG LYS 38 1HG LYS 38 1.244 8.860 -25.685 316 2HG LYS 38 2HG LYS 38 2.199 7.788 -26.690 317 1HD LYS 38 1HD LYS 38 0.684 6.101 -26.495 318 2HD LYS 38 2HD LYS 38 0.627 6.253 -24.749 319 1HE LYS 38 1HE LYS 38 -1.509 7.003 -25.086 320 2HE LYS 38 2HE LYS 38 -0.746 8.526 -25.498 321 1HZ LYS 38 3HZ LYS 38 -0.668 7.727 -27.806 322 2HZ LYS 38 1HZ LYS 38 -1.528 6.407 -27.375 323 3HZ LYS 38 2HZ LYS 38 -2.190 7.894 -27.239 324 H PHE 39 H PHE 39 0.771 7.694 -22.233 325 HA PHE 39 HA PHE 39 -1.270 9.593 -23.039 326 1HB PHE 39 1HB PHE 39 -1.176 6.853 -22.681 327 2HB PHE 39 2HB PHE 39 -1.711 7.331 -21.082 328 HD1 PHE 39 HD1 PHE 39 -3.932 6.639 -21.000 329 HD2 PHE 39 HD2 PHE 39 -2.588 8.847 -24.366 330 HE1 PHE 39 HE1 PHE 39 -6.293 6.799 -21.838 331 HE2 PHE 39 HE2 PHE 39 -4.949 9.006 -25.204 332 HZ PHE 39 HZ PHE 39 -6.773 7.981 -23.929 333 H LEU 40 H LEU 40 0.265 11.174 -21.646 334 HA LEU 40 HA LEU 40 -0.621 11.015 -18.855 335 1HB LEU 40 1HB LEU 40 1.879 11.153 -19.681 336 2HB LEU 40 2HB LEU 40 1.523 12.864 -19.813 337 HG LEU 40 HG LEU 40 1.235 13.133 -17.519 338 1HD1 LEU 40 2HD1 LEU 40 0.735 10.159 -17.406 339 2HD1 LEU 40 3HD1 LEU 40 1.077 11.125 -15.951 340 3HD1 LEU 40 1HD1 LEU 40 -0.349 11.496 -16.949 341 1HD2 LEU 40 2HD2 LEU 40 3.506 11.470 -18.346 342 2HD2 LEU 40 3HD2 LEU 40 3.462 12.973 -17.394 343 3HD2 LEU 40 1HD2 LEU 40 3.162 11.409 -16.601 344 H GLU 41 H GLU 41 -0.176 13.300 -21.638 345 HA GLU 41 HA GLU 41 -1.648 15.317 -20.338 346 1HB GLU 41 1HB GLU 41 0.129 15.405 -22.318 347 2HB GLU 41 2HB GLU 41 -1.286 15.226 -23.336 348 1HG GLU 41 1HG GLU 41 -2.304 17.241 -22.423 349 2HG GLU 41 2HG GLU 41 -1.100 17.349 -21.154 350 H GLU 42 H GLU 42 -2.479 12.446 -22.119 351 HA GLU 42 HA GLU 42 -5.073 13.505 -22.817 352 1HB GLU 42 1HB GLU 42 -3.343 11.564 -23.952 353 2HB GLU 42 2HB GLU 42 -4.716 10.656 -23.349 354 1HG GLU 42 1HG GLU 42 -6.099 11.475 -24.964 355 2HG GLU 42 2HG GLU 42 -5.584 13.126 -24.681 356 H HIS 43 H HIS 43 -6.664 11.169 -22.563 357 HA HIS 43 HA HIS 43 -7.632 9.784 -21.107 358 1HB HIS 43 1HB HIS 43 -5.312 9.581 -20.024 359 2HB HIS 43 2HB HIS 43 -5.864 10.776 -18.869 360 HD1 HIS 43 HD1 HIS 43 -8.134 10.063 -17.485 361 HD2 HIS 43 HD2 HIS 43 -6.026 6.996 -19.419 362 HE1 HIS 43 HE1 HIS 43 -8.916 7.878 -16.423 363 HE2 HIS 43 HE2 HIS 43 -7.627 6.028 -17.690 364 HA PRO 44 HA PRO 44 -10.406 12.854 -19.774 365 1HB PRO 44 1HB PRO 44 -12.534 11.240 -19.189 366 2HB PRO 44 2HB PRO 44 -12.176 11.803 -20.809 367 1HG PRO 44 1HG PRO 44 -11.754 9.120 -19.644 368 2HG PRO 44 2HG PRO 44 -11.807 9.587 -21.331 369 1HD PRO 44 1HD PRO 44 -9.464 8.992 -19.788 370 2HD PRO 44 2HD PRO 44 -9.510 9.571 -21.443 371 H GLY 45 H GLY 45 -8.870 13.326 -18.010 372 1HA GLY 45 2HA GLY 45 -9.171 11.986 -15.542 373 2HA GLY 45 1HA GLY 45 -10.224 13.388 -15.575 374 H GLY 46 H GLY 46 -6.806 12.383 -16.254 375 1HA GLY 46 2HA GLY 46 -5.792 14.593 -14.728 376 2HA GLY 46 1HA GLY 46 -5.578 14.811 -16.454 377 H GLU 47 H GLU 47 -3.268 14.630 -16.317 378 HA GLU 47 HA GLU 47 -2.150 12.348 -16.979 379 1HB GLU 47 1HB GLU 47 -0.918 14.455 -15.148 380 2HB GLU 47 2HB GLU 47 0.005 13.234 -16.003 381 1HG GLU 47 1HG GLU 47 -0.305 14.235 -18.075 382 2HG GLU 47 2HG GLU 47 -1.900 14.837 -17.671 383 H GLU 48 H GLU 48 -2.620 13.444 -13.557 384 HA GLU 48 HA GLU 48 -1.334 11.480 -12.259 385 1HB GLU 48 1HB GLU 48 -3.136 13.499 -11.591 386 2HB GLU 48 2HB GLU 48 -3.980 12.053 -11.071 387 1HG GLU 48 1HG GLU 48 -2.585 11.779 -9.299 388 2HG GLU 48 2HG GLU 48 -1.165 11.877 -10.320 389 H VAL 49 H VAL 49 -4.720 11.361 -13.547 390 HA VAL 49 HA VAL 49 -5.648 9.047 -12.638 391 HB VAL 49 HB VAL 49 -6.623 10.634 -14.345 392 1HG1 VAL 49 1HG1 VAL 49 -4.491 9.878 -15.907 393 2HG1 VAL 49 2HG1 VAL 49 -5.815 8.899 -16.584 394 3HG1 VAL 49 3HG1 VAL 49 -5.970 10.671 -16.500 395 1HG2 VAL 49 2HG2 VAL 49 -7.513 8.307 -13.578 396 2HG2 VAL 49 3HG2 VAL 49 -8.233 9.091 -15.006 397 3HG2 VAL 49 1HG2 VAL 49 -7.044 7.780 -15.212 398 H LEU 50 H LEU 50 -2.882 9.461 -14.833 399 HA LEU 50 HA LEU 50 -2.642 6.539 -14.954 400 1HB LEU 50 1HB LEU 50 -1.459 8.667 -16.744 401 2HB LEU 50 2HB LEU 50 -1.171 6.944 -16.889 402 HG LEU 50 HG LEU 50 -3.998 7.339 -16.891 403 1HD1 LEU 50 2HD1 LEU 50 -2.579 9.571 -18.056 404 2HD1 LEU 50 3HD1 LEU 50 -3.508 8.695 -19.297 405 3HD1 LEU 50 1HD1 LEU 50 -4.328 9.316 -17.844 406 1HD2 LEU 50 2HD2 LEU 50 -2.489 5.557 -17.970 407 2HD2 LEU 50 3HD2 LEU 50 -3.931 6.096 -18.863 408 3HD2 LEU 50 1HD2 LEU 50 -2.323 6.712 -19.316 409 H ARG 51 H ARG 51 -1.055 9.631 -14.099 410 HA ARG 51 HA ARG 51 1.424 8.500 -13.554 411 1HB ARG 51 1HB ARG 51 0.404 11.062 -13.661 412 2HB ARG 51 2HB ARG 51 0.582 10.867 -11.928 413 1HG ARG 51 1HG ARG 51 2.990 9.861 -12.724 414 2HG ARG 51 2HG ARG 51 2.693 10.960 -14.057 415 1HD ARG 51 1HD ARG 51 2.192 12.036 -11.294 416 2HD ARG 51 2HD ARG 51 3.865 11.749 -11.731 417 HE ARG 51 HE ARG 51 2.742 13.107 -13.924 418 1HH1 ARG 51 2HH1 ARG 51 2.906 15.370 -14.199 419 2HH1 ARG 51 1HH1 ARG 51 3.176 16.392 -12.827 420 1HH2 ARG 51 2HH2 ARG 51 3.246 13.747 -10.500 421 2HH2 ARG 51 1HH2 ARG 51 3.371 15.462 -10.709 422 H GLU 52 H GLU 52 -1.529 9.110 -11.579 423 HA GLU 52 HA GLU 52 -0.399 8.527 -9.122 424 1HB GLU 52 1HB GLU 52 -2.728 8.256 -8.351 425 2HB GLU 52 2HB GLU 52 -2.580 9.652 -9.399 426 1HG GLU 52 1HG GLU 52 -4.185 8.793 -10.745 427 2HG GLU 52 2HG GLU 52 -3.133 7.443 -11.121 428 H GLN 53 H GLN 53 -1.098 6.499 -11.838 429 HA GLN 53 HA GLN 53 -1.150 4.157 -10.114 430 1HB GLN 53 1HB GLN 53 -1.904 2.946 -12.183 431 2HB GLN 53 2HB GLN 53 -3.001 4.218 -11.682 432 1HG GLN 53 1HG GLN 53 -1.940 5.771 -13.350 433 2HG GLN 53 2HG GLN 53 -0.878 4.476 -13.866 434 1HE2 GLN 53 1HE2 GLN 53 -4.138 5.700 -13.790 435 2HE2 GLN 53 2HE2 GLN 53 -4.827 4.662 -14.993 436 H ALA 54 H ALA 54 0.791 6.014 -12.358 437 HA ALA 54 HA ALA 54 2.447 4.029 -13.374 438 1HB ALA 54 3HB ALA 54 2.714 6.987 -12.816 439 2HB ALA 54 1HB ALA 54 4.103 6.057 -13.428 440 3HB ALA 54 2HB ALA 54 2.599 6.143 -14.378 441 H GLY 55 H GLY 55 3.951 2.718 -12.458 442 1HA GLY 55 2HA GLY 55 4.982 3.501 -9.797 443 2HA GLY 55 1HA GLY 55 5.903 2.633 -11.009 444 H GLY 56 H GLY 56 3.104 1.230 -11.657 445 1HA GLY 56 2HA GLY 56 2.490 -0.332 -9.373 446 2HA GLY 56 1HA GLY 56 3.627 -1.186 -10.397 447 H ASP 57 H ASP 57 1.322 -2.484 -10.210 448 HA ASP 57 HA ASP 57 0.333 -2.370 -12.837 449 1HB ASP 57 1HB ASP 57 0.235 -4.538 -12.025 450 2HB ASP 57 2HB ASP 57 -0.089 -4.023 -10.383 451 H ALA 58 H ALA 58 -1.487 -1.240 -13.582 452 HA ALA 58 HA ALA 58 -3.101 0.108 -11.540 453 1HB ALA 58 1HB ALA 58 -1.747 1.174 -13.635 454 2HB ALA 58 2HB ALA 58 -3.308 0.842 -14.422 455 3HB ALA 58 3HB ALA 58 -3.243 1.881 -12.979 456 H THR 59 H THR 59 -3.053 -2.524 -13.763 457 HA THR 59 HA THR 59 -5.578 -2.596 -14.814 458 HB THR 59 HB THR 59 -3.380 -4.242 -14.734 459 HG1 THR 59 HG1 THR 59 -5.298 -5.784 -15.601 460 1HG2 THR 59 1HG2 THR 59 -4.235 -5.169 -12.468 461 2HG2 THR 59 2HG2 THR 59 -5.630 -5.800 -13.376 462 3HG2 THR 59 3HG2 THR 59 -3.988 -6.371 -13.758 463 H GLU 60 H GLU 60 -4.553 -3.563 -11.491 464 HA GLU 60 HA GLU 60 -6.873 -4.657 -10.658 465 1HB GLU 60 1HB GLU 60 -4.512 -3.484 -9.441 466 2HB GLU 60 2HB GLU 60 -5.920 -3.053 -8.492 467 1HG GLU 60 1HG GLU 60 -6.128 -5.844 -9.283 468 2HG GLU 60 2HG GLU 60 -4.556 -5.569 -8.557 469 H ASN 61 H ASN 61 -6.177 -1.267 -11.375 470 HA ASN 61 HA ASN 61 -8.642 -0.466 -10.097 471 1HB ASN 61 1HB ASN 61 -6.122 0.797 -10.569 472 2HB ASN 61 2HB ASN 61 -7.263 1.647 -11.593 473 1HD2 ASN 61 1HD2 ASN 61 -5.936 1.449 -8.571 474 2HD2 ASN 61 2HD2 ASN 61 -7.097 2.338 -7.642 475 H PHE 62 H PHE 62 -6.884 -0.193 -13.280 476 HA PHE 62 HA PHE 62 -8.816 0.947 -14.796 477 1HB PHE 62 1HB PHE 62 -7.015 0.512 -16.184 478 2HB PHE 62 2HB PHE 62 -6.415 -0.698 -15.067 479 HD1 PHE 62 HD1 PHE 62 -7.456 -3.051 -15.217 480 HD2 PHE 62 HD2 PHE 62 -7.862 -0.125 -18.263 481 HE1 PHE 62 HE1 PHE 62 -8.014 -4.852 -16.872 482 HE2 PHE 62 HE2 PHE 62 -8.421 -1.927 -19.918 483 HZ PHE 62 HZ PHE 62 -8.490 -4.269 -19.205 484 H GLU 63 H GLU 63 -8.872 -2.225 -13.315 485 HA GLU 63 HA GLU 63 -10.670 -3.364 -15.170 486 1HB GLU 63 1HB GLU 63 -9.359 -4.132 -12.633 487 2HB GLU 63 2HB GLU 63 -10.971 -4.798 -12.800 488 1HG GLU 63 1HG GLU 63 -9.292 -4.968 -15.260 489 2HG GLU 63 2HG GLU 63 -8.702 -5.911 -13.906 490 H ASP 64 H ASP 64 -10.970 -1.834 -11.901 491 HA ASP 64 HA ASP 64 -13.674 -2.273 -11.620 492 1HB ASP 64 1HB ASP 64 -11.644 -1.046 -10.159 493 2HB ASP 64 2HB ASP 64 -12.668 0.317 -10.565 494 H VAL 65 H VAL 65 -11.752 0.369 -13.158 495 HA VAL 65 HA VAL 65 -14.061 1.962 -13.722 496 HB VAL 65 HB VAL 65 -12.335 3.372 -13.587 497 1HG1 VAL 65 1HG1 VAL 65 -10.583 1.035 -14.365 498 2HG1 VAL 65 2HG1 VAL 65 -9.942 2.689 -14.218 499 3HG1 VAL 65 3HG1 VAL 65 -10.676 1.891 -12.808 500 1HG2 VAL 65 3HG2 VAL 65 -13.042 3.552 -15.948 501 2HG2 VAL 65 1HG2 VAL 65 -11.327 3.976 -15.724 502 3HG2 VAL 65 2HG2 VAL 65 -11.771 2.392 -16.405 503 H GLY 66 H GLY 66 -13.073 -0.993 -14.868 504 1HA GLY 66 2HA GLY 66 -14.806 -1.384 -16.834 505 2HA GLY 66 1HA GLY 66 -13.190 -2.062 -16.878 506 H HIS 67 H HIS 67 -11.500 -1.000 -18.118 507 HA HIS 67 HA HIS 67 -12.172 1.345 -19.601 508 1HB HIS 67 1HB HIS 67 -9.774 -0.463 -19.412 509 2HB HIS 67 2HB HIS 67 -9.888 0.717 -20.703 510 HD1 HIS 67 HD1 HIS 67 -9.635 0.472 -16.926 511 HD2 HIS 67 HD2 HIS 67 -9.421 3.371 -19.952 512 HE1 HIS 67 HE1 HIS 67 -8.768 2.601 -15.817 513 HE2 HIS 67 HE2 HIS 67 -8.606 4.330 -17.736 514 H SER 68 H SER 68 -11.456 1.166 -22.129 515 HA SER 68 HA SER 68 -13.191 -0.937 -23.137 516 1HB SER 68 1HB SER 68 -13.766 0.482 -24.914 517 2HB SER 68 2HB SER 68 -13.579 1.611 -23.587 518 HG SER 68 HG SER 68 -12.081 2.594 -24.740 519 H THR 69 H THR 69 -12.536 -2.039 -25.190 520 HA THR 69 HA THR 69 -9.922 -2.997 -25.073 521 HB THR 69 HB THR 69 -12.184 -3.054 -27.112 522 HG1 THR 69 HG1 THR 69 -12.543 -4.752 -25.744 523 1HG2 THR 69 3HG2 THR 69 -9.338 -3.789 -27.519 524 2HG2 THR 69 1HG2 THR 69 -10.455 -5.159 -27.735 525 3HG2 THR 69 2HG2 THR 69 -10.655 -3.683 -28.712 526 H ASP 70 H ASP 70 -11.214 -0.068 -26.492 527 HA ASP 70 HA ASP 70 -9.186 0.243 -28.399 528 1HB ASP 70 1HB ASP 70 -11.379 1.447 -28.441 529 2HB ASP 70 2HB ASP 70 -10.928 2.322 -26.991 530 H ALA 71 H ALA 71 -9.820 1.597 -25.079 531 HA ALA 71 HA ALA 71 -7.579 3.194 -24.874 532 1HB ALA 71 3HB ALA 71 -7.984 3.046 -22.455 533 2HB ALA 71 1HB ALA 71 -9.525 3.192 -23.334 534 3HB ALA 71 2HB ALA 71 -9.008 1.610 -22.701 535 H ARG 72 H ARG 72 -8.037 -0.281 -23.936 536 HA ARG 72 HA ARG 72 -5.516 -0.642 -22.943 537 1HB ARG 72 1HB ARG 72 -7.165 -2.718 -24.467 538 2HB ARG 72 2HB ARG 72 -5.935 -3.055 -23.266 539 1HG ARG 72 1HG ARG 72 -7.305 -1.886 -21.531 540 2HG ARG 72 2HG ARG 72 -8.532 -1.535 -22.730 541 1HD ARG 72 1HD ARG 72 -7.837 -4.398 -22.702 542 2HD ARG 72 2HD ARG 72 -8.378 -3.849 -21.127 543 HE ARG 72 HE ARG 72 -10.135 -2.804 -23.149 544 1HH1 ARG 72 2HH1 ARG 72 -12.207 -3.722 -23.452 545 2HH1 ARG 72 1HH1 ARG 72 -12.542 -5.315 -22.857 546 1HH2 ARG 72 2HH2 ARG 72 -9.320 -5.817 -21.527 547 2HH2 ARG 72 1HH2 ARG 72 -10.890 -6.515 -21.756 548 H GLU 73 H GLU 73 -6.783 -0.808 -26.305 549 HA GLU 73 HA GLU 73 -4.490 -1.941 -27.412 550 1HB GLU 73 1HB GLU 73 -7.028 -0.813 -28.336 551 2HB GLU 73 2HB GLU 73 -5.720 -0.365 -29.413 552 1HG GLU 73 1HG GLU 73 -5.079 -2.702 -29.732 553 2HG GLU 73 2HG GLU 73 -6.175 -3.232 -28.471 554 H LEU 74 H LEU 74 -5.584 1.466 -26.931 555 HA LEU 74 HA LEU 74 -3.590 2.722 -28.366 556 1HB LEU 74 1HB LEU 74 -4.539 4.579 -27.605 557 2HB LEU 74 2HB LEU 74 -5.755 3.496 -26.959 558 HG LEU 74 HG LEU 74 -4.003 3.504 -24.887 559 1HD1 LEU 74 1HD1 LEU 74 -3.103 5.626 -26.546 560 2HD1 LEU 74 2HD1 LEU 74 -3.858 6.350 -25.105 561 3HD1 LEU 74 3HD1 LEU 74 -2.541 5.168 -24.921 562 1HD2 LEU 74 3HD2 LEU 74 -6.542 4.754 -25.535 563 2HD2 LEU 74 1HD2 LEU 74 -5.983 4.017 -24.015 564 3HD2 LEU 74 2HD2 LEU 74 -5.614 5.722 -24.367 565 H SER 75 H SER 75 -3.598 1.400 -25.023 566 HA SER 75 HA SER 75 -1.191 2.504 -24.252 567 1HB SER 75 1HB SER 75 -3.088 1.018 -23.018 568 2HB SER 75 2HB SER 75 -1.909 -0.249 -23.291 569 HG SER 75 HG SER 75 -1.326 2.280 -22.001 570 H LYS 76 H LYS 76 -2.006 -0.453 -26.114 571 HA LYS 76 HA LYS 76 0.501 -1.662 -26.014 572 1HB LYS 76 1HB LYS 76 -0.373 -3.172 -27.489 573 2HB LYS 76 2HB LYS 76 -1.856 -2.475 -26.870 574 1HG LYS 76 1HG LYS 76 -2.406 -1.986 -29.018 575 2HG LYS 76 2HG LYS 76 -1.169 -0.744 -28.971 576 1HD LYS 76 1HD LYS 76 0.528 -2.365 -29.781 577 2HD LYS 76 2HD LYS 76 -0.662 -3.651 -29.761 578 1HE LYS 76 1HE LYS 76 -1.613 -1.317 -31.286 579 2HE LYS 76 2HE LYS 76 -0.099 -1.931 -31.921 580 1HZ LYS 76 1HZ LYS 76 -1.595 -4.141 -31.403 581 2HZ LYS 76 2HZ LYS 76 -2.662 -3.087 -32.046 582 3HZ LYS 76 3HZ LYS 76 -1.311 -3.487 -32.872 583 H THR 77 H THR 77 -0.471 1.323 -27.388 584 HA THR 77 HA THR 77 1.275 1.317 -29.638 585 HB THR 77 HB THR 77 -0.886 2.753 -29.008 586 HG1 THR 77 HG1 THR 77 -0.005 3.362 -30.953 587 1HG2 THR 77 3HG2 THR 77 0.443 3.783 -26.982 588 2HG2 THR 77 1HG2 THR 77 1.332 4.687 -28.230 589 3HG2 THR 77 2HG2 THR 77 -0.427 4.898 -28.063 590 H PHE 78 H PHE 78 1.531 2.403 -26.221 591 HA PHE 78 HA PHE 78 4.353 2.982 -26.780 592 1HB PHE 78 1HB PHE 78 2.169 4.286 -25.339 593 2HB PHE 78 2HB PHE 78 3.402 3.854 -24.171 594 HD1 PHE 78 HD1 PHE 78 2.837 5.711 -27.327 595 HD2 PHE 78 HD2 PHE 78 5.385 5.112 -23.987 596 HE1 PHE 78 HE1 PHE 78 4.164 7.740 -27.975 597 HE2 PHE 78 HE2 PHE 78 6.713 7.141 -24.636 598 HZ PHE 78 HZ PHE 78 6.086 8.431 -26.622 599 H ILE 79 H ILE 79 2.836 0.330 -26.110 600 HA ILE 79 HA ILE 79 3.445 -0.427 -23.517 601 HB ILE 79 HB ILE 79 2.543 -1.636 -25.969 602 1HG1 ILE 79 1HG1 ILE 79 2.206 -2.096 -23.013 603 2HG1 ILE 79 2HG1 ILE 79 1.040 -1.504 -24.180 604 1HG2 ILE 79 3HG2 ILE 79 4.464 -3.288 -24.307 605 2HG2 ILE 79 1HG2 ILE 79 3.344 -3.934 -25.530 606 3HG2 ILE 79 2HG2 ILE 79 4.648 -2.823 -26.014 607 1HD1 ILE 79 2HD1 ILE 79 1.386 -3.873 -25.325 608 2HD1 ILE 79 3HD1 ILE 79 1.992 -4.334 -23.717 609 3HD1 ILE 79 1HD1 ILE 79 0.331 -3.720 -23.901 610 H ILE 80 H ILE 80 5.329 -0.714 -22.455 611 HA ILE 80 HA ILE 80 7.767 -0.603 -24.002 612 HB ILE 80 HB ILE 80 8.330 -0.943 -21.271 613 1HG1 ILE 80 1HG1 ILE 80 5.950 0.884 -21.704 614 2HG1 ILE 80 2HG1 ILE 80 5.995 -0.566 -20.722 615 1HG2 ILE 80 3HG2 ILE 80 9.263 0.569 -23.221 616 2HG2 ILE 80 1HG2 ILE 80 8.164 1.774 -22.508 617 3HG2 ILE 80 2HG2 ILE 80 9.444 1.041 -21.513 618 1HD1 ILE 80 1HD1 ILE 80 8.171 1.234 -19.965 619 2HD1 ILE 80 2HD1 ILE 80 6.598 2.062 -19.883 620 3HD1 ILE 80 3HD1 ILE 80 6.863 0.565 -18.959 621 H GLY 81 H GLY 81 5.977 -2.869 -21.844 622 1HA GLY 81 2HA GLY 81 7.872 -4.890 -21.684 623 2HA GLY 81 1HA GLY 81 7.008 -5.142 -23.188 624 H GLU 82 H GLU 82 7.061 -6.500 -20.358 625 HA GLU 82 HA GLU 82 4.328 -6.162 -19.569 626 1HB GLU 82 1HB GLU 82 5.133 -8.988 -20.258 627 2HB GLU 82 2HB GLU 82 3.526 -8.304 -20.111 628 1HG GLU 82 1HG GLU 82 3.956 -6.935 -22.190 629 2HG GLU 82 2HG GLU 82 5.520 -7.708 -22.350 630 H LEU 83 H LEU 83 3.838 -7.658 -17.606 631 HA LEU 83 HA LEU 83 6.070 -7.433 -15.832 632 1HB LEU 83 1HB LEU 83 3.582 -6.979 -15.381 633 2HB LEU 83 2HB LEU 83 3.417 -8.717 -15.234 634 HG LEU 83 HG LEU 83 3.842 -8.400 -13.066 635 1HD1 LEU 83 3HD1 LEU 83 5.948 -9.427 -13.847 636 2HD1 LEU 83 1HD1 LEU 83 6.672 -7.805 -13.967 637 3HD1 LEU 83 2HD1 LEU 83 6.162 -8.435 -12.384 638 1HD2 LEU 83 3HD2 LEU 83 3.510 -5.926 -13.451 639 2HD2 LEU 83 1HD2 LEU 83 4.527 -6.364 -12.056 640 3HD2 LEU 83 2HD2 LEU 83 5.282 -5.787 -13.561 641 H HIS 84 H HIS 84 7.652 -8.911 -15.623 642 HA HIS 84 HA HIS 84 7.426 -11.431 -16.869 643 1HB HIS 84 1HB HIS 84 9.474 -9.784 -15.882 644 2HB HIS 84 2HB HIS 84 9.564 -11.239 -14.908 645 HD1 HIS 84 HD1 HIS 84 8.378 -11.627 -18.441 646 HD2 HIS 84 HD2 HIS 84 11.964 -11.947 -16.288 647 HE1 HIS 84 HE1 HIS 84 10.030 -12.819 -19.978 648 HE2 HIS 84 HE2 HIS 84 12.229 -12.940 -18.621 649 HA PRO 85 HA PRO 85 6.295 -13.986 -13.536 650 1HB PRO 85 1HB PRO 85 8.242 -15.863 -13.149 651 2HB PRO 85 2HB PRO 85 7.083 -15.942 -14.459 652 1HG PRO 85 1HG PRO 85 9.941 -15.190 -14.555 653 2HG PRO 85 2HG PRO 85 8.890 -15.682 -15.868 654 1HD PRO 85 1HD PRO 85 9.742 -13.011 -15.260 655 2HD PRO 85 2HD PRO 85 8.601 -13.490 -16.502 656 H ASP 86 H ASP 86 8.343 -11.684 -12.969 657 HA ASP 86 HA ASP 86 9.358 -12.528 -10.469 658 1HB ASP 86 1HB ASP 86 10.715 -10.829 -11.186 659 2HB ASP 86 2HB ASP 86 9.468 -10.143 -12.207 660 H ASP 87 H ASP 87 6.445 -10.957 -11.741 661 HA ASP 87 HA ASP 87 5.085 -11.270 -9.344 662 1HB ASP 87 1HB ASP 87 6.229 -8.539 -9.938 663 2HB ASP 87 2HB ASP 87 4.627 -8.623 -9.236 664 H ARG 88 H ARG 88 4.538 -12.099 -11.918 665 HA ARG 88 HA ARG 88 2.840 -10.106 -13.118 666 1HB ARG 88 1HB ARG 88 2.657 -11.768 -14.993 667 2HB ARG 88 2HB ARG 88 4.324 -11.375 -14.620 668 1HG ARG 88 1HG ARG 88 4.297 -13.458 -13.064 669 2HG ARG 88 2HG ARG 88 2.790 -13.889 -13.846 670 1HD ARG 88 1HD ARG 88 3.972 -13.778 -16.087 671 2HD ARG 88 2HD ARG 88 5.477 -13.469 -15.243 672 HE ARG 88 HE ARG 88 4.453 -15.783 -14.041 673 1HH1 ARG 88 2HH1 ARG 88 5.028 -17.898 -14.682 674 2HH1 ARG 88 1HH1 ARG 88 5.609 -18.188 -16.288 675 1HH2 ARG 88 2HH2 ARG 88 5.365 -14.824 -17.301 676 2HH2 ARG 88 1HH2 ARG 88 5.803 -16.427 -17.789 677 H SER 89 H SER 89 2.693 -13.556 -11.967 678 HA SER 89 HA SER 89 -0.130 -13.593 -12.190 679 1HB SER 89 1HB SER 89 1.783 -15.530 -12.160 680 2HB SER 89 2HB SER 89 1.288 -15.606 -10.481 681 HG SER 89 HG SER 89 -0.346 -15.982 -12.833 682 H LYS 90 H LYS 90 1.641 -11.748 -10.240 683 HA LYS 90 HA LYS 90 0.069 -12.346 -7.832 684 1HB LYS 90 1HB LYS 90 2.875 -11.670 -8.258 685 2HB LYS 90 2HB LYS 90 2.107 -10.568 -7.132 686 1HG LYS 90 1HG LYS 90 1.137 -12.672 -5.964 687 2HG LYS 90 2HG LYS 90 2.250 -13.606 -6.944 688 1HD LYS 90 1HD LYS 90 4.152 -12.179 -6.035 689 2HD LYS 90 2HD LYS 90 3.000 -11.403 -4.966 690 1HE LYS 90 1HE LYS 90 2.877 -13.219 -3.558 691 2HE LYS 90 2HE LYS 90 2.894 -14.373 -4.876 692 1HZ LYS 90 1HZ LYS 90 5.314 -12.878 -4.228 693 2HZ LYS 90 2HZ LYS 90 4.912 -14.198 -3.355 694 3HZ LYS 90 3HZ LYS 90 5.172 -14.330 -4.962 695 H ILE 91 H ILE 91 0.117 -10.447 -10.583 696 HA ILE 91 HA ILE 91 -1.501 -8.439 -9.233 697 HB ILE 91 HB ILE 91 -0.323 -6.620 -9.892 698 1HG1 ILE 91 1HG1 ILE 91 0.789 -8.303 -12.145 699 2HG1 ILE 91 2HG1 ILE 91 -0.309 -6.939 -12.250 700 1HG2 ILE 91 3HG2 ILE 91 1.041 -7.954 -8.314 701 2HG2 ILE 91 1HG2 ILE 91 1.918 -8.650 -9.698 702 3HG2 ILE 91 2HG2 ILE 91 2.017 -6.903 -9.370 703 1HD1 ILE 91 3HD1 ILE 91 1.742 -5.708 -10.969 704 2HD1 ILE 91 1HD1 ILE 91 2.656 -6.967 -11.832 705 3HD1 ILE 91 2HD1 ILE 91 1.647 -5.819 -12.744 706 H THR 92 H THR 92 -0.259 -9.883 -12.298 707 HA THR 92 HA THR 92 -1.919 -8.868 -14.144 708 HB THR 92 HB THR 92 -0.120 -10.699 -14.341 709 HG1 THR 92 HG1 THR 92 -1.340 -11.537 -16.198 710 1HG2 THR 92 1HG2 THR 92 -1.571 -12.219 -12.656 711 2HG2 THR 92 2HG2 THR 92 -2.418 -12.655 -14.160 712 3HG2 THR 92 3HG2 THR 92 -0.671 -12.958 -14.004 713 H LYS 93 H LYS 93 -4.019 -9.007 -14.859 714 HA LYS 93 HA LYS 93 -5.809 -10.806 -13.475 715 1HB LYS 93 1HB LYS 93 -5.590 -7.979 -12.786 716 2HB LYS 93 2HB LYS 93 -7.201 -8.390 -13.337 717 1HG LYS 93 1HG LYS 93 -6.656 -10.549 -11.708 718 2HG LYS 93 2HG LYS 93 -5.745 -9.293 -10.895 719 1HD LYS 93 1HD LYS 93 -7.636 -8.125 -10.267 720 2HD LYS 93 2HD LYS 93 -8.489 -8.489 -11.754 721 1HE LYS 93 1HE LYS 93 -7.974 -10.849 -9.996 722 2HE LYS 93 2HE LYS 93 -9.057 -9.649 -9.318 723 1HZ LYS 93 2HZ LYS 93 -9.480 -10.449 -12.073 724 2HZ LYS 93 3HZ LYS 93 -9.921 -11.493 -10.898 725 3HZ LYS 93 1HZ LYS 93 -10.570 -9.995 -10.945 726 HA PRO 94 HA PRO 94 -7.173 -10.704 -17.612 727 1HB PRO 94 1HB PRO 94 -8.947 -12.776 -17.448 728 2HB PRO 94 2HB PRO 94 -7.233 -13.002 -17.738 729 1HG PRO 94 1HG PRO 94 -8.772 -13.475 -15.259 730 2HG PRO 94 2HG PRO 94 -7.188 -14.080 -15.699 731 1HD PRO 94 1HD PRO 94 -7.762 -11.940 -13.878 732 2HD PRO 94 2HD PRO 94 -6.178 -12.469 -14.408 733 H SER 95 H SER 95 -9.223 -10.509 -18.910 734 HA SER 95 HA SER 95 -10.633 -8.399 -17.806 735 1HB SER 95 1HB SER 95 -10.366 -8.893 -20.259 736 2HB SER 95 2HB SER 95 -11.470 -10.243 -20.089 737 HG SER 95 HG SER 95 -12.249 -7.915 -20.761 738 H GLU 96 H GLU 96 -13.231 -8.498 -17.787 739 HA GLU 96 HA GLU 96 -14.352 -10.950 -17.006 740 1HB GLU 96 1HB GLU 96 -14.788 -10.493 -14.646 741 2HB GLU 96 2HB GLU 96 -13.058 -10.450 -14.929 742 1HG GLU 96 1HG GLU 96 -13.197 -7.931 -15.137 743 2HG GLU 96 2HG GLU 96 -14.901 -8.021 -14.735 744 H SER 97 H SER 97 -16.702 -10.736 -16.588 745 HA SER 97 HA SER 97 -17.768 -8.091 -16.921 746 1HB SER 97 1HB SER 97 -19.071 -8.581 -18.898 747 2HB SER 97 2HB SER 97 -17.400 -8.970 -19.258 748 HG SER 97 HG SER 97 -19.487 -10.842 -18.531 749 H ILE 98 H ILE 98 -20.324 -8.261 -16.849 750 HA ILE 98 HA ILE 98 -21.130 -10.619 -15.321 751 HB ILE 98 HB ILE 98 -22.261 -9.195 -13.679 752 1HG1 ILE 98 1HG1 ILE 98 -21.158 -6.755 -13.645 753 2HG1 ILE 98 2HG1 ILE 98 -21.132 -7.014 -15.377 754 1HG2 ILE 98 3HG2 ILE 98 -19.264 -8.987 -13.963 755 2HG2 ILE 98 1HG2 ILE 98 -20.134 -8.370 -12.537 756 3HG2 ILE 98 2HG2 ILE 98 -20.218 -10.099 -12.953 757 1HD1 ILE 98 1HD1 ILE 98 -23.683 -7.921 -14.616 758 2HD1 ILE 98 2HD1 ILE 98 -23.416 -6.474 -13.616 759 3HD1 ILE 98 3HD1 ILE 98 -23.307 -6.364 -15.389 760 H ILE 99 H ILE 99 -23.674 -10.434 -14.968 761 HA ILE 99 HA ILE 99 -24.781 -9.423 -17.496 762 HB ILE 99 HB ILE 99 -26.330 -11.324 -17.443 763 1HG1 ILE 99 1HG1 ILE 99 -24.657 -12.775 -15.444 764 2HG1 ILE 99 2HG1 ILE 99 -25.797 -11.594 -14.828 765 1HG2 ILE 99 2HG2 ILE 99 -23.391 -12.068 -17.449 766 2HG2 ILE 99 3HG2 ILE 99 -24.709 -13.042 -18.143 767 3HG2 ILE 99 1HG2 ILE 99 -24.334 -11.439 -18.822 768 1HD1 ILE 99 3HD1 ILE 99 -27.594 -12.714 -16.266 769 2HD1 ILE 99 1HD1 ILE 99 -26.412 -14.004 -16.589 770 3HD1 ILE 99 2HD1 ILE 99 -26.967 -13.702 -14.924 771 H THR 100 H THR 100 -27.248 -9.084 -17.314 772 HA THR 100 HA THR 100 -28.190 -8.511 -14.650 773 HB THR 100 HB THR 100 -26.734 -6.518 -15.311 774 HG1 THR 100 HG1 THR 100 -28.488 -5.116 -14.628 775 1HG2 THR 100 1HG2 THR 100 -27.699 -6.707 -17.820 776 2HG2 THR 100 2HG2 THR 100 -28.998 -5.697 -17.138 777 3HG2 THR 100 3HG2 THR 100 -27.313 -5.122 -17.108 778 H THR 101 H THR 101 -30.485 -7.656 -14.718 779 HA THR 101 HA THR 101 -31.870 -8.141 -17.208 780 HB THR 101 HB THR 101 -31.526 -10.431 -16.163 781 HG1 THR 101 HG1 THR 101 -34.167 -9.150 -16.162 782 1HG2 THR 101 2HG2 THR 101 -32.139 -9.134 -13.749 783 2HG2 THR 101 3HG2 THR 101 -33.661 -9.953 -14.172 784 3HG2 THR 101 1HG2 THR 101 -32.161 -10.895 -14.006 785 H ILE 102 H ILE 102 -33.963 -7.247 -17.268 786 HA ILE 102 HA ILE 102 -34.705 -5.778 -14.845 787 HB ILE 102 HB ILE 102 -33.461 -4.360 -16.518 788 1HG1 ILE 102 1HG1 ILE 102 -35.089 -3.564 -14.732 789 2HG1 ILE 102 2HG1 ILE 102 -34.768 -2.466 -16.058 790 1HG2 ILE 102 3HG2 ILE 102 -35.722 -5.275 -18.213 791 2HG2 ILE 102 1HG2 ILE 102 -35.254 -3.563 -18.344 792 3HG2 ILE 102 2HG2 ILE 102 -34.053 -4.839 -18.649 793 1HD1 ILE 102 2HD1 ILE 102 -36.944 -4.095 -16.917 794 2HD1 ILE 102 3HD1 ILE 102 -37.295 -3.626 -15.236 795 3HD1 ILE 102 1HD1 ILE 102 -36.991 -2.374 -16.465 796 H ASP 103 H ASP 103 -36.978 -5.459 -14.566 797 HA ASP 103 HA ASP 103 -38.521 -7.556 -15.264 798 1HB ASP 103 1HB ASP 103 -38.889 -4.916 -14.088 799 2HB ASP 103 2HB ASP 103 -40.261 -5.286 -15.115 800 H SER 104 H SER 104 -40.857 -6.994 -16.519 801 HA SER 104 HA SER 104 -40.777 -5.285 -18.672 802 1HB SER 104 1HB SER 104 -38.964 -6.820 -19.483 803 2HB SER 104 2HB SER 104 -40.091 -8.161 -19.428 804 HG SER 104 HG SER 104 -40.166 -5.840 -21.140 No H/Q in entry = 804 Start of MODEL 27 1 H ALA 1 H ALA 1 34.485 1.834 -31.839 2 HA ALA 1 HA ALA 1 32.784 2.688 -33.280 3 1HB ALA 1 3HB ALA 1 32.554 -0.235 -33.839 4 2HB ALA 1 2HB ALA 1 32.381 1.158 -34.935 5 3HB ALA 1 1HB ALA 1 31.039 0.700 -33.857 6 H GLU 2 H GLU 2 30.174 2.345 -32.781 7 HA GLU 2 HA GLU 2 29.965 1.619 -29.981 8 1HB GLU 2 1HB GLU 2 30.252 4.256 -30.679 9 2HB GLU 2 2HB GLU 2 28.510 4.103 -30.768 10 1HG GLU 2 1HG GLU 2 28.634 4.538 -28.513 11 2HG GLU 2 2HG GLU 2 28.916 2.811 -28.410 12 H GLU 3 H GLU 3 27.432 1.889 -29.348 13 HA GLU 3 HA GLU 3 25.596 1.631 -31.423 14 1HB GLU 3 1HB GLU 3 27.029 -0.801 -30.767 15 2HB GLU 3 2HB GLU 3 25.350 -0.992 -30.304 16 1HG GLU 3 1HG GLU 3 24.607 -0.326 -32.569 17 2HG GLU 3 2HG GLU 3 26.262 0.000 -33.045 18 H SER 4 H SER 4 23.417 0.581 -30.421 19 HA SER 4 HA SER 4 23.199 0.590 -27.644 20 1HB SER 4 1HB SER 4 21.962 2.664 -27.267 21 2HB SER 4 2HB SER 4 23.537 3.043 -27.935 22 HG SER 4 HG SER 4 21.977 4.279 -29.044 23 H SER 5 H SER 5 20.667 0.762 -27.055 24 HA SER 5 HA SER 5 18.922 0.238 -29.211 25 1HB SER 5 1HB SER 5 20.347 -2.003 -28.216 26 2HB SER 5 2HB SER 5 18.752 -2.127 -27.501 27 HG SER 5 HG SER 5 19.263 -1.742 -30.328 28 H LYS 6 H LYS 6 16.695 -0.696 -28.121 29 HA LYS 6 HA LYS 6 16.329 -0.077 -25.387 30 1HB LYS 6 1HB LYS 6 16.131 2.133 -27.262 31 2HB LYS 6 2HB LYS 6 14.592 1.844 -26.475 32 1HG LYS 6 1HG LYS 6 16.209 1.618 -24.302 33 2HG LYS 6 2HG LYS 6 17.220 2.671 -25.272 34 1HD LYS 6 1HD LYS 6 15.849 4.465 -24.947 35 2HD LYS 6 2HD LYS 6 14.408 3.539 -25.319 36 1HE LYS 6 1HE LYS 6 13.897 3.327 -23.116 37 2HE LYS 6 2HE LYS 6 15.476 2.656 -22.760 38 1HZ LYS 6 2HZ LYS 6 16.327 4.936 -22.737 39 2HZ LYS 6 3HZ LYS 6 14.813 5.511 -22.944 40 3HZ LYS 6 1HZ LYS 6 15.194 4.682 -21.589 41 H ALA 7 H ALA 7 14.821 -1.525 -24.783 42 HA ALA 7 HA ALA 7 12.313 -1.724 -25.900 43 1HB ALA 7 3HB ALA 7 12.566 -2.955 -27.760 44 2HB ALA 7 2HB ALA 7 13.253 -4.268 -26.775 45 3HB ALA 7 1HB ALA 7 14.324 -3.040 -27.493 46 H VAL 8 H VAL 8 12.254 -1.594 -23.498 47 HA VAL 8 HA VAL 8 13.307 -3.233 -21.690 48 HB VAL 8 HB VAL 8 11.921 -1.748 -20.727 49 1HG1 VAL 8 3HG1 VAL 8 10.428 -2.002 -23.239 50 2HG1 VAL 8 1HG1 VAL 8 9.384 -1.717 -21.827 51 3HG1 VAL 8 2HG1 VAL 8 10.701 -0.579 -22.205 52 1HG2 VAL 8 2HG2 VAL 8 10.073 -4.142 -21.003 53 2HG2 VAL 8 3HG2 VAL 8 11.275 -3.858 -19.721 54 3HG2 VAL 8 1HG2 VAL 8 9.845 -2.804 -19.849 55 H LYS 9 H LYS 9 10.119 -4.040 -23.249 56 HA LYS 9 HA LYS 9 9.322 -5.982 -23.972 57 1HB LYS 9 1HB LYS 9 12.131 -6.411 -24.157 58 2HB LYS 9 2HB LYS 9 11.434 -7.863 -23.467 59 1HG LYS 9 1HG LYS 9 10.318 -6.497 -25.960 60 2HG LYS 9 2HG LYS 9 11.496 -7.793 -26.022 61 1HD LYS 9 1HD LYS 9 9.978 -9.394 -25.125 62 2HD LYS 9 2HD LYS 9 8.925 -8.165 -24.453 63 1HE LYS 9 1HE LYS 9 7.685 -8.131 -26.351 64 2HE LYS 9 2HE LYS 9 9.098 -7.729 -27.307 65 1HZ LYS 9 3HZ LYS 9 9.098 -10.445 -26.512 66 2HZ LYS 9 1HZ LYS 9 7.755 -10.072 -27.364 67 3HZ LYS 9 2HZ LYS 9 9.232 -9.803 -28.009 68 H TYR 10 H TYR 10 11.528 -6.592 -21.145 69 HA TYR 10 HA TYR 10 9.154 -7.478 -19.674 70 1HB TYR 10 1HB TYR 10 11.457 -9.005 -18.875 71 2HB TYR 10 2HB TYR 10 10.058 -9.619 -19.732 72 HD1 TYR 10 HD1 TYR 10 10.172 -10.191 -22.056 73 HD2 TYR 10 HD2 TYR 10 13.459 -8.201 -20.172 74 HE1 TYR 10 HE1 TYR 10 11.632 -10.666 -24.081 75 HE2 TYR 10 HE2 TYR 10 14.906 -8.684 -22.204 76 HH TYR 10 HH TYR 10 14.956 -9.437 -24.238 77 H TYR 11 H TYR 11 8.996 -6.465 -17.736 78 HA TYR 11 HA TYR 11 11.498 -5.533 -16.511 79 1HB TYR 11 1HB TYR 11 9.133 -4.108 -17.579 80 2HB TYR 11 2HB TYR 11 9.296 -3.793 -15.863 81 HD1 TYR 11 HD1 TYR 11 12.443 -4.054 -15.953 82 HD2 TYR 11 HD2 TYR 11 9.585 -1.805 -18.207 83 HE1 TYR 11 HE1 TYR 11 14.209 -2.291 -16.448 84 HE2 TYR 11 HE2 TYR 11 11.360 -0.051 -18.694 85 HH TYR 11 HH TYR 11 13.455 0.738 -17.600 86 H THR 12 H THR 12 11.094 -4.897 -14.126 87 HA THR 12 HA THR 12 9.281 -6.913 -12.980 88 HB THR 12 HB THR 12 10.884 -7.028 -11.148 89 HG1 THR 12 HG1 THR 12 12.663 -5.408 -11.234 90 1HG2 THR 12 3HG2 THR 12 11.660 -7.709 -13.726 91 2HG2 THR 12 1HG2 THR 12 12.945 -6.572 -13.250 92 3HG2 THR 12 2HG2 THR 12 12.635 -8.026 -12.271 93 H LEU 13 H LEU 13 7.877 -6.391 -11.295 94 HA LEU 13 HA LEU 13 6.559 -4.046 -11.431 95 1HB LEU 13 1HB LEU 13 6.856 -6.179 -9.408 96 2HB LEU 13 2HB LEU 13 6.200 -4.664 -8.819 97 HG LEU 13 HG LEU 13 5.079 -6.285 -11.123 98 1HD1 LEU 13 1HD1 LEU 13 4.925 -7.017 -8.546 99 2HD1 LEU 13 2HD1 LEU 13 3.543 -5.895 -8.611 100 3HD1 LEU 13 3HD1 LEU 13 3.612 -7.286 -9.719 101 1HD2 LEU 13 2HD2 LEU 13 4.769 -3.772 -11.227 102 2HD2 LEU 13 3HD2 LEU 13 3.284 -4.752 -11.242 103 3HD2 LEU 13 1HD2 LEU 13 3.787 -3.923 -9.750 104 H GLU 14 H GLU 14 9.579 -4.743 -9.656 105 HA GLU 14 HA GLU 14 9.557 -2.406 -8.143 106 1HB GLU 14 1HB GLU 14 11.280 -4.662 -8.558 107 2HB GLU 14 2HB GLU 14 12.262 -3.225 -8.761 108 1HG GLU 14 1HG GLU 14 12.338 -2.999 -6.509 109 2HG GLU 14 2HG GLU 14 10.613 -2.686 -6.508 110 H GLU 15 H GLU 15 11.202 -3.247 -11.273 111 HA GLU 15 HA GLU 15 12.446 -0.856 -11.659 112 1HB GLU 15 1HB GLU 15 11.264 -2.818 -13.669 113 2HB GLU 15 2HB GLU 15 12.272 -1.465 -14.145 114 1HG GLU 15 1HG GLU 15 13.550 -2.892 -11.951 115 2HG GLU 15 2HG GLU 15 13.120 -4.033 -13.211 116 H ILE 16 H ILE 16 9.031 -1.760 -12.125 117 HA ILE 16 HA ILE 16 8.433 0.669 -13.547 118 HB ILE 16 HB ILE 16 6.520 -1.340 -12.370 119 1HG1 ILE 16 1HG1 ILE 16 7.146 -1.622 -15.221 120 2HG1 ILE 16 2HG1 ILE 16 8.520 -1.960 -14.186 121 1HG2 ILE 16 3HG2 ILE 16 6.221 1.086 -13.893 122 2HG2 ILE 16 1HG2 ILE 16 5.611 -0.303 -14.824 123 3HG2 ILE 16 2HG2 ILE 16 4.976 0.022 -13.194 124 1HD1 ILE 16 1HD1 ILE 16 6.034 -3.135 -13.127 125 2HD1 ILE 16 2HD1 ILE 16 6.430 -3.724 -14.759 126 3HD1 ILE 16 3HD1 ILE 16 7.609 -3.904 -13.436 127 H GLN 17 H GLN 17 8.082 -0.687 -10.233 128 HA GLN 17 HA GLN 17 6.497 1.282 -9.198 129 1HB GLN 17 1HB GLN 17 7.602 -0.973 -8.210 130 2HB GLN 17 2HB GLN 17 8.708 0.178 -7.490 131 1HG GLN 17 1HG GLN 17 5.952 1.116 -7.210 132 2HG GLN 17 2HG GLN 17 6.106 -0.509 -6.574 133 1HE2 GLN 17 1HE2 GLN 17 5.706 2.104 -5.265 134 2HE2 GLN 17 2HE2 GLN 17 6.960 2.270 -4.081 135 H LYS 18 H LYS 18 9.754 1.478 -10.370 136 HA LYS 18 HA LYS 18 10.447 3.742 -8.717 137 1HB LYS 18 1HB LYS 18 12.574 3.394 -9.408 138 2HB LYS 18 2HB LYS 18 11.953 1.798 -9.776 139 1HG LYS 18 1HG LYS 18 11.408 2.666 -12.132 140 2HG LYS 18 2HG LYS 18 12.286 4.126 -11.721 141 1HD LYS 18 1HD LYS 18 13.944 1.893 -10.972 142 2HD LYS 18 2HD LYS 18 13.341 1.574 -12.587 143 1HE LYS 18 1HE LYS 18 14.079 3.919 -13.257 144 2HE LYS 18 2HE LYS 18 14.809 4.093 -11.673 145 1HZ LYS 18 2HZ LYS 18 15.921 1.867 -12.334 146 2HZ LYS 18 3HZ LYS 18 15.603 2.358 -13.859 147 3HZ LYS 18 1HZ LYS 18 16.527 3.282 -12.881 148 H HIS 19 H HIS 19 9.508 3.025 -12.127 149 HA HIS 19 HA HIS 19 9.727 5.739 -12.908 150 1HB HIS 19 1HB HIS 19 8.773 3.188 -14.121 151 2HB HIS 19 2HB HIS 19 8.178 4.678 -14.827 152 HD1 HIS 19 HD1 HIS 19 9.510 4.719 -16.981 153 HD2 HIS 19 HD2 HIS 19 11.919 4.174 -13.589 154 HE1 HIS 19 HE1 HIS 19 11.926 4.884 -17.785 155 HE2 HIS 19 HE2 HIS 19 13.357 4.595 -15.649 156 H ASN 20 H ASN 20 8.532 6.952 -11.345 157 HA ASN 20 HA ASN 20 5.663 6.649 -11.728 158 1HB ASN 20 1HB ASN 20 7.201 7.175 -9.140 159 2HB ASN 20 2HB ASN 20 5.493 7.538 -9.286 160 1HD2 ASN 20 1HD2 ASN 20 7.681 4.903 -10.282 161 2HD2 ASN 20 2HD2 ASN 20 6.735 3.588 -9.666 162 H ASN 21 H ASN 21 8.076 8.403 -12.746 163 HA ASN 21 HA ASN 21 7.158 10.977 -11.780 164 1HB ASN 21 1HB ASN 21 9.568 10.225 -13.518 165 2HB ASN 21 2HB ASN 21 9.214 11.848 -12.961 166 1HD2 ASN 21 1HD2 ASN 21 8.822 12.028 -10.543 167 2HD2 ASN 21 2HD2 ASN 21 9.928 11.198 -9.499 168 H SER 22 H SER 22 6.702 12.701 -13.443 169 HA SER 22 HA SER 22 5.047 11.784 -15.444 170 1HB SER 22 1HB SER 22 5.037 14.152 -16.223 171 2HB SER 22 2HB SER 22 4.835 14.026 -14.486 172 HG SER 22 HG SER 22 7.424 14.437 -15.702 173 H LYS 23 H LYS 23 8.480 11.874 -15.282 174 HA LYS 23 HA LYS 23 8.730 11.993 -18.194 175 1HB LYS 23 1HB LYS 23 10.362 12.884 -15.969 176 2HB LYS 23 2HB LYS 23 11.277 11.807 -17.005 177 1HG LYS 23 1HG LYS 23 10.616 13.164 -19.001 178 2HG LYS 23 2HG LYS 23 9.689 14.236 -17.969 179 1HD LYS 23 1HD LYS 23 11.552 15.347 -17.241 180 2HD LYS 23 2HD LYS 23 12.467 13.870 -17.022 181 1HE LYS 23 1HE LYS 23 12.538 13.824 -19.670 182 2HE LYS 23 2HE LYS 23 12.126 15.523 -19.543 183 1HZ LYS 23 2HZ LYS 23 14.378 14.331 -18.086 184 2HZ LYS 23 3HZ LYS 23 14.533 15.003 -19.565 185 3HZ LYS 23 1HZ LYS 23 14.062 15.918 -18.298 186 H SER 24 H SER 24 8.446 9.820 -15.541 187 HA SER 24 HA SER 24 9.192 7.678 -17.331 188 1HB SER 24 1HB SER 24 10.677 8.438 -14.909 189 2HB SER 24 2HB SER 24 10.116 6.779 -14.831 190 HG SER 24 HG SER 24 11.040 6.963 -17.286 191 H THR 25 H THR 25 6.660 8.000 -17.196 192 HA THR 25 HA THR 25 5.558 6.792 -14.776 193 HB THR 25 HB THR 25 3.944 7.760 -17.150 194 HG1 THR 25 HG1 THR 25 5.165 9.382 -15.037 195 1HG2 THR 25 3HG2 THR 25 3.716 7.880 -14.103 196 2HG2 THR 25 1HG2 THR 25 2.664 8.830 -15.180 197 3HG2 THR 25 2HG2 THR 25 2.622 7.051 -15.239 198 H TRP 26 H TRP 26 6.257 4.641 -14.928 199 HA TRP 26 HA TRP 26 5.208 3.205 -17.266 200 1HB TRP 26 1HB TRP 26 7.648 2.944 -15.627 201 2HB TRP 26 2HB TRP 26 6.846 1.434 -16.010 202 HD1 TRP 26 HD1 TRP 26 7.869 0.401 -18.167 203 HE1 TRP 26 HE1 TRP 26 8.882 1.201 -20.469 204 HE3 TRP 26 HE3 TRP 26 7.294 5.375 -17.290 205 HZ2 TRP 26 HZ2 TRP 26 9.320 3.768 -21.638 206 HZ3 TRP 26 HZ3 TRP 26 8.040 6.962 -19.061 207 HH2 TRP 26 HH2 TRP 26 9.024 6.230 -21.177 208 H LEU 27 H LEU 27 3.713 1.536 -16.929 209 HA LEU 27 HA LEU 27 3.173 0.714 -14.204 210 1HB LEU 27 1HB LEU 27 1.045 1.489 -14.012 211 2HB LEU 27 2HB LEU 27 1.820 2.829 -14.833 212 HG LEU 27 HG LEU 27 -0.155 2.652 -15.997 213 1HD1 LEU 27 2HD1 LEU 27 2.018 2.251 -17.421 214 2HD1 LEU 27 3HD1 LEU 27 1.275 0.660 -17.714 215 3HD1 LEU 27 1HD1 LEU 27 0.403 2.144 -18.164 216 1HD2 LEU 27 3HD2 LEU 27 -0.302 0.098 -14.865 217 2HD2 LEU 27 1HD2 LEU 27 -1.548 0.934 -15.823 218 3HD2 LEU 27 2HD2 LEU 27 -0.397 -0.163 -16.623 219 H ILE 28 H ILE 28 1.315 -1.042 -14.307 220 HA ILE 28 HA ILE 28 1.866 -2.643 -16.707 221 HB ILE 28 HB ILE 28 0.933 -4.021 -14.286 222 1HG1 ILE 28 1HG1 ILE 28 2.385 -2.273 -13.289 223 2HG1 ILE 28 2HG1 ILE 28 2.993 -3.902 -13.062 224 1HG2 ILE 28 2HG2 ILE 28 3.153 -4.479 -16.295 225 2HG2 ILE 28 3HG2 ILE 28 2.745 -5.584 -14.961 226 3HG2 ILE 28 1HG2 ILE 28 1.558 -5.266 -16.249 227 1HD1 ILE 28 3HD1 ILE 28 3.906 -2.191 -15.406 228 2HD1 ILE 28 1HD1 ILE 28 4.695 -2.102 -13.812 229 3HD1 ILE 28 2HD1 ILE 28 4.693 -3.633 -14.720 230 H LEU 29 H LEU 29 0.162 -3.276 -17.956 231 HA LEU 29 HA LEU 29 -2.506 -2.928 -16.791 232 1HB LEU 29 1HB LEU 29 -1.428 -1.189 -18.597 233 2HB LEU 29 2HB LEU 29 -2.241 -2.323 -19.657 234 HG LEU 29 HG LEU 29 -3.394 -0.435 -17.641 235 1HD1 LEU 29 3HD1 LEU 29 -3.236 0.075 -20.092 236 2HD1 LEU 29 1HD1 LEU 29 -4.388 -1.253 -20.380 237 3HD1 LEU 29 2HD1 LEU 29 -4.878 0.156 -19.410 238 1HD2 LEU 29 1HD2 LEU 29 -4.307 -3.197 -18.043 239 2HD2 LEU 29 2HD2 LEU 29 -4.679 -2.034 -16.749 240 3HD2 LEU 29 3HD2 LEU 29 -5.571 -1.969 -18.289 241 H HIS 30 H HIS 30 -3.675 -4.769 -16.883 242 HA HIS 30 HA HIS 30 -4.460 -6.697 -17.597 243 1HB HIS 30 1HB HIS 30 -2.832 -6.262 -20.117 244 2HB HIS 30 2HB HIS 30 -4.061 -7.492 -19.895 245 HD1 HIS 30 HD1 HIS 30 -3.735 -3.683 -19.974 246 HD2 HIS 30 HD2 HIS 30 -6.628 -6.679 -20.479 247 HE1 HIS 30 HE1 HIS 30 -5.844 -2.509 -20.799 248 HE2 HIS 30 HE2 HIS 30 -7.568 -4.406 -21.143 249 H TYR 31 H TYR 31 -0.948 -6.133 -18.104 250 HA TYR 31 HA TYR 31 0.018 -7.830 -16.292 251 1HB TYR 31 1HB TYR 31 -0.876 -9.859 -17.088 252 2HB TYR 31 2HB TYR 31 -1.170 -9.198 -18.683 253 HD1 TYR 31 HD1 TYR 31 0.027 -10.120 -20.440 254 HD2 TYR 31 HD2 TYR 31 1.770 -10.130 -16.532 255 HE1 TYR 31 HE1 TYR 31 2.034 -11.399 -21.332 256 HE2 TYR 31 HE2 TYR 31 3.773 -11.409 -17.438 257 HH TYR 31 HH TYR 31 3.896 -13.119 -19.806 258 H LYS 32 H LYS 32 0.175 -6.145 -19.280 259 HA LYS 32 HA LYS 32 3.036 -6.659 -19.552 260 1HB LYS 32 1HB LYS 32 1.166 -5.144 -21.396 261 2HB LYS 32 2HB LYS 32 2.829 -5.586 -21.726 262 1HG LYS 32 1HG LYS 32 2.083 -7.550 -22.577 263 2HG LYS 32 2HG LYS 32 1.591 -8.016 -20.959 264 1HD LYS 32 1HD LYS 32 -0.647 -7.371 -21.297 265 2HD LYS 32 2HD LYS 32 -0.239 -6.208 -22.541 266 1HE LYS 32 1HE LYS 32 0.525 -8.288 -23.948 267 2HE LYS 32 2HE LYS 32 -0.375 -9.236 -22.780 268 1HZ LYS 32 3HZ LYS 32 -1.694 -6.935 -23.945 269 2HZ LYS 32 1HZ LYS 32 -1.506 -8.256 -24.886 270 3HZ LYS 32 2HZ LYS 32 -2.325 -8.366 -23.478 271 H VAL 33 H VAL 33 4.182 -4.430 -20.376 272 HA VAL 33 HA VAL 33 3.558 -2.502 -18.249 273 HB VAL 33 HB VAL 33 6.180 -3.123 -19.626 274 1HG1 VAL 33 1HG1 VAL 33 5.526 -0.715 -18.613 275 2HG1 VAL 33 2HG1 VAL 33 6.074 -1.517 -17.122 276 3HG1 VAL 33 3HG1 VAL 33 7.168 -1.397 -18.522 277 1HG2 VAL 33 1HG2 VAL 33 5.321 -4.887 -18.052 278 2HG2 VAL 33 2HG2 VAL 33 6.877 -4.165 -17.581 279 3HG2 VAL 33 3HG2 VAL 33 5.381 -3.673 -16.752 280 H TYR 34 H TYR 34 2.891 -0.499 -18.850 281 HA TYR 34 HA TYR 34 3.306 0.217 -21.675 282 1HB TYR 34 1HB TYR 34 1.092 1.011 -19.684 283 2HB TYR 34 2HB TYR 34 1.095 1.377 -21.397 284 HD1 TYR 34 HD1 TYR 34 -0.410 0.137 -22.637 285 HD2 TYR 34 HD2 TYR 34 1.511 -1.716 -19.294 286 HE1 TYR 34 HE1 TYR 34 -1.676 -2.019 -23.095 287 HE2 TYR 34 HE2 TYR 34 0.237 -3.865 -19.761 288 HH TYR 34 HH TYR 34 -1.938 -4.461 -20.871 289 H ASP 35 H ASP 35 3.792 2.419 -22.158 290 HA ASP 35 HA ASP 35 5.104 3.714 -19.959 291 1HB ASP 35 1HB ASP 35 6.293 3.606 -22.084 292 2HB ASP 35 2HB ASP 35 4.926 4.280 -22.950 293 H LEU 36 H LEU 36 3.486 4.731 -18.670 294 HA LEU 36 HA LEU 36 1.201 5.945 -19.762 295 1HB LEU 36 1HB LEU 36 2.560 5.988 -17.085 296 2HB LEU 36 2HB LEU 36 1.189 7.030 -17.407 297 HG LEU 36 HG LEU 36 1.298 4.041 -17.194 298 1HD1 LEU 36 2HD1 LEU 36 0.279 6.203 -15.641 299 2HD1 LEU 36 3HD1 LEU 36 -1.095 5.213 -16.189 300 3HD1 LEU 36 1HD1 LEU 36 0.244 4.459 -15.291 301 1HD2 LEU 36 1HD2 LEU 36 -0.598 5.616 -18.915 302 2HD2 LEU 36 2HD2 LEU 36 0.228 4.074 -19.248 303 3HD2 LEU 36 3HD2 LEU 36 -1.131 4.126 -18.102 304 H THR 37 H THR 37 4.520 7.049 -19.115 305 HA THR 37 HA THR 37 4.086 9.793 -19.159 306 HB THR 37 HB THR 37 6.319 7.855 -19.512 307 HG1 THR 37 HG1 THR 37 7.176 9.775 -18.168 308 1HG2 THR 37 2HG2 THR 37 6.463 10.712 -20.608 309 2HG2 THR 37 3HG2 THR 37 7.883 9.711 -20.222 310 3HG2 THR 37 1HG2 THR 37 6.774 9.219 -21.525 311 H LYS 38 H LYS 38 3.731 7.433 -21.698 312 HA LYS 38 HA LYS 38 3.955 9.493 -23.739 313 1HB LYS 38 1HB LYS 38 4.664 6.836 -23.694 314 2HB LYS 38 2HB LYS 38 3.128 6.781 -24.536 315 1HG LYS 38 1HG LYS 38 3.893 8.430 -26.181 316 2HG LYS 38 2HG LYS 38 5.365 8.722 -25.275 317 1HD LYS 38 1HD LYS 38 5.919 6.225 -25.602 318 2HD LYS 38 2HD LYS 38 4.576 6.159 -26.725 319 1HE LYS 38 1HE LYS 38 6.076 6.799 -28.318 320 2HE LYS 38 2HE LYS 38 5.950 8.403 -27.625 321 1HZ LYS 38 2HZ LYS 38 7.706 7.089 -26.023 322 2HZ LYS 38 3HZ LYS 38 8.113 6.599 -27.527 323 3HZ LYS 38 1HZ LYS 38 8.083 8.191 -27.168 324 H PHE 39 H PHE 39 1.613 7.884 -21.713 325 HA PHE 39 HA PHE 39 -0.530 8.886 -23.449 326 1HB PHE 39 1HB PHE 39 -0.363 6.388 -22.847 327 2HB PHE 39 2HB PHE 39 -0.520 6.829 -21.159 328 HD1 PHE 39 HD1 PHE 39 -2.535 5.722 -20.640 329 HD2 PHE 39 HD2 PHE 39 -2.395 8.352 -23.966 330 HE1 PHE 39 HE1 PHE 39 -5.034 5.601 -20.841 331 HE2 PHE 39 HE2 PHE 39 -4.895 8.231 -24.167 332 HZ PHE 39 HZ PHE 39 -6.185 6.856 -22.602 333 H LEU 40 H LEU 40 1.283 10.109 -21.120 334 HA LEU 40 HA LEU 40 -0.466 10.633 -18.996 335 1HB LEU 40 1HB LEU 40 2.116 11.712 -20.005 336 2HB LEU 40 2HB LEU 40 1.214 12.706 -18.879 337 HG LEU 40 HG LEU 40 2.230 9.892 -18.408 338 1HD1 LEU 40 1HD1 LEU 40 3.603 12.250 -18.237 339 2HD1 LEU 40 2HD1 LEU 40 2.997 12.060 -16.573 340 3HD1 LEU 40 3HD1 LEU 40 3.977 10.773 -17.317 341 1HD2 LEU 40 2HD2 LEU 40 0.010 11.251 -17.182 342 2HD2 LEU 40 3HD2 LEU 40 0.648 9.618 -16.879 343 3HD2 LEU 40 1HD2 LEU 40 1.308 11.010 -15.990 344 H GLU 41 H GLU 41 0.602 12.876 -21.656 345 HA GLU 41 HA GLU 41 -1.053 14.897 -21.183 346 1HB GLU 41 1HB GLU 41 0.266 13.779 -23.568 347 2HB GLU 41 2HB GLU 41 -1.174 14.691 -23.975 348 1HG GLU 41 1HG GLU 41 -0.344 16.695 -22.995 349 2HG GLU 41 2HG GLU 41 0.833 15.844 -22.015 350 H GLU 42 H GLU 42 -1.900 12.095 -23.352 351 HA GLU 42 HA GLU 42 -4.486 12.867 -23.804 352 1HB GLU 42 1HB GLU 42 -2.856 10.742 -24.537 353 2HB GLU 42 2HB GLU 42 -4.089 9.939 -23.585 354 1HG GLU 42 1HG GLU 42 -5.761 10.386 -25.110 355 2HG GLU 42 2HG GLU 42 -5.135 11.977 -25.494 356 H HIS 43 H HIS 43 -6.178 10.713 -23.044 357 HA HIS 43 HA HIS 43 -7.287 9.802 -21.351 358 1HB HIS 43 1HB HIS 43 -4.884 9.780 -20.237 359 2HB HIS 43 2HB HIS 43 -5.571 11.039 -19.229 360 HD1 HIS 43 HD1 HIS 43 -7.469 10.364 -17.563 361 HD2 HIS 43 HD2 HIS 43 -5.937 7.181 -19.826 362 HE1 HIS 43 HE1 HIS 43 -8.330 8.227 -16.466 363 HE2 HIS 43 HE2 HIS 43 -7.402 6.307 -17.933 364 HA PRO 44 HA PRO 44 -9.807 13.228 -20.529 365 1HB PRO 44 1HB PRO 44 -11.846 12.000 -19.185 366 2HB PRO 44 2HB PRO 44 -11.715 12.001 -20.932 367 1HG PRO 44 1HG PRO 44 -11.159 9.805 -19.035 368 2HG PRO 44 2HG PRO 44 -11.446 9.717 -20.761 369 1HD PRO 44 1HD PRO 44 -8.914 9.512 -19.430 370 2HD PRO 44 2HD PRO 44 -9.189 9.542 -21.160 371 H GLY 45 H GLY 45 -9.271 11.087 -17.783 372 1HA GLY 45 2HA GLY 45 -8.823 11.549 -15.631 373 2HA GLY 45 1HA GLY 45 -9.881 12.937 -15.789 374 H GLY 46 H GLY 46 -6.815 12.280 -17.589 375 1HA GLY 46 2HA GLY 46 -5.546 14.505 -16.126 376 2HA GLY 46 1HA GLY 46 -5.605 14.510 -17.878 377 H GLU 47 H GLU 47 -3.181 14.472 -16.266 378 HA GLU 47 HA GLU 47 -2.034 12.111 -17.431 379 1HB GLU 47 1HB GLU 47 -0.752 14.468 -15.982 380 2HB GLU 47 2HB GLU 47 0.139 13.180 -16.768 381 1HG GLU 47 1HG GLU 47 -0.094 14.174 -18.792 382 2HG GLU 47 2HG GLU 47 -1.839 14.212 -18.625 383 H GLU 48 H GLU 48 -2.395 13.669 -14.185 384 HA GLU 48 HA GLU 48 -0.955 11.919 -12.709 385 1HB GLU 48 1HB GLU 48 -2.871 13.974 -12.240 386 2HB GLU 48 2HB GLU 48 -3.414 12.596 -11.305 387 1HG GLU 48 1HG GLU 48 -1.311 12.438 -10.122 388 2HG GLU 48 2HG GLU 48 -0.516 13.533 -11.237 389 H VAL 49 H VAL 49 -4.421 11.636 -13.729 390 HA VAL 49 HA VAL 49 -5.235 9.460 -12.406 391 HB VAL 49 HB VAL 49 -6.542 10.733 -14.030 392 1HG1 VAL 49 1HG1 VAL 49 -4.480 10.429 -15.760 393 2HG1 VAL 49 2HG1 VAL 49 -5.582 9.167 -16.360 394 3HG1 VAL 49 3HG1 VAL 49 -6.135 10.855 -16.257 395 1HG2 VAL 49 3HG2 VAL 49 -6.912 8.173 -13.342 396 2HG2 VAL 49 1HG2 VAL 49 -7.999 9.027 -14.465 397 3HG2 VAL 49 2HG2 VAL 49 -6.729 7.952 -15.099 398 H LEU 50 H LEU 50 -2.702 9.611 -14.881 399 HA LEU 50 HA LEU 50 -2.553 6.695 -14.905 400 1HB LEU 50 1HB LEU 50 -1.153 8.769 -16.599 401 2HB LEU 50 2HB LEU 50 -0.987 7.033 -16.770 402 HG LEU 50 HG LEU 50 -3.768 7.583 -16.886 403 1HD1 LEU 50 3HD1 LEU 50 -2.174 9.790 -17.932 404 2HD1 LEU 50 1HD1 LEU 50 -3.222 9.055 -19.171 405 3HD1 LEU 50 2HD1 LEU 50 -3.928 9.667 -17.657 406 1HD2 LEU 50 1HD2 LEU 50 -2.334 5.793 -18.010 407 2HD2 LEU 50 2HD2 LEU 50 -3.663 6.496 -18.964 408 3HD2 LEU 50 3HD2 LEU 50 -1.987 7.018 -19.256 409 H ARG 51 H ARG 51 -0.853 9.661 -13.872 410 HA ARG 51 HA ARG 51 1.542 8.373 -13.266 411 1HB ARG 51 1HB ARG 51 0.848 10.961 -13.451 412 2HB ARG 51 2HB ARG 51 0.608 10.805 -11.722 413 1HG ARG 51 1HG ARG 51 3.128 9.547 -12.466 414 2HG ARG 51 2HG ARG 51 3.077 11.175 -13.114 415 1HD ARG 51 1HD ARG 51 2.064 11.565 -10.555 416 2HD ARG 51 2HD ARG 51 3.216 10.273 -10.283 417 HE ARG 51 HE ARG 51 4.326 12.398 -11.945 418 1HH1 ARG 51 2HH1 ARG 51 5.971 13.716 -11.063 419 2HH1 ARG 51 1HH1 ARG 51 6.240 13.736 -9.352 420 1HH2 ARG 51 2HH2 ARG 51 3.683 11.424 -8.625 421 2HH2 ARG 51 1HH2 ARG 51 4.930 12.423 -7.955 422 H GLU 52 H GLU 52 -1.487 9.033 -11.451 423 HA GLU 52 HA GLU 52 -0.493 8.344 -8.946 424 1HB GLU 52 1HB GLU 52 -2.862 8.214 -8.279 425 2HB GLU 52 2HB GLU 52 -2.580 9.624 -9.281 426 1HG GLU 52 1HG GLU 52 -3.711 8.719 -11.133 427 2HG GLU 52 2HG GLU 52 -3.412 7.062 -10.643 428 H GLN 53 H GLN 53 -1.099 6.450 -11.750 429 HA GLN 53 HA GLN 53 -1.428 4.066 -10.112 430 1HB GLN 53 1HB GLN 53 -2.117 2.976 -12.290 431 2HB GLN 53 2HB GLN 53 -3.189 4.251 -11.748 432 1HG GLN 53 1HG GLN 53 -2.003 5.868 -13.271 433 2HG GLN 53 2HG GLN 53 -0.983 4.561 -13.840 434 1HE2 GLN 53 1HE2 GLN 53 -4.106 6.030 -13.905 435 2HE2 GLN 53 2HE2 GLN 53 -4.828 5.067 -15.149 436 H ALA 54 H ALA 54 0.775 5.887 -12.094 437 HA ALA 54 HA ALA 54 2.348 3.823 -13.126 438 1HB ALA 54 2HB ALA 54 2.257 6.526 -13.367 439 2HB ALA 54 1HB ALA 54 3.656 5.545 -13.866 440 3HB ALA 54 3HB ALA 54 3.661 6.362 -12.285 441 H GLY 55 H GLY 55 4.068 2.634 -12.306 442 1HA GLY 55 2HA GLY 55 4.885 3.195 -9.532 443 2HA GLY 55 1HA GLY 55 5.795 2.296 -10.729 444 H GLY 56 H GLY 56 3.192 0.900 -11.638 445 1HA GLY 56 2HA GLY 56 2.250 -0.593 -9.395 446 2HA GLY 56 1HA GLY 56 3.470 -1.479 -10.287 447 H ASP 57 H ASP 57 1.395 -2.902 -10.535 448 HA ASP 57 HA ASP 57 0.545 -2.562 -13.190 449 1HB ASP 57 1HB ASP 57 0.625 -4.812 -12.612 450 2HB ASP 57 2HB ASP 57 0.112 -4.517 -10.962 451 H ALA 58 H ALA 58 -1.145 -1.219 -13.829 452 HA ALA 58 HA ALA 58 -2.985 -0.261 -11.811 453 1HB ALA 58 1HB ALA 58 -1.740 1.010 -13.803 454 2HB ALA 58 2HB ALA 58 -3.171 0.474 -14.714 455 3HB ALA 58 3HB ALA 58 -3.368 1.489 -13.267 456 H THR 59 H THR 59 -2.733 -2.914 -13.930 457 HA THR 59 HA THR 59 -5.081 -3.271 -15.171 458 HB THR 59 HB THR 59 -3.775 -5.388 -13.392 459 HG1 THR 59 HG1 THR 59 -2.221 -5.450 -15.136 460 1HG2 THR 59 3HG2 THR 59 -5.289 -5.372 -16.038 461 2HG2 THR 59 1HG2 THR 59 -4.150 -6.681 -15.639 462 3HG2 THR 59 2HG2 THR 59 -5.576 -6.398 -14.612 463 H GLU 60 H GLU 60 -4.750 -4.693 -11.863 464 HA GLU 60 HA GLU 60 -7.254 -5.203 -11.339 465 1HB GLU 60 1HB GLU 60 -6.755 -4.443 -8.905 466 2HB GLU 60 2HB GLU 60 -5.705 -5.652 -9.616 467 1HG GLU 60 1HG GLU 60 -3.925 -4.304 -9.237 468 2HG GLU 60 2HG GLU 60 -4.590 -3.134 -10.358 469 H ASN 61 H ASN 61 -5.881 -1.927 -11.594 470 HA ASN 61 HA ASN 61 -8.160 -0.677 -10.479 471 1HB ASN 61 1HB ASN 61 -5.614 0.153 -10.875 472 2HB ASN 61 2HB ASN 61 -6.293 0.771 -12.369 473 1HD2 ASN 61 1HD2 ASN 61 -8.665 1.697 -11.894 474 2HD2 ASN 61 2HD2 ASN 61 -8.712 2.918 -10.666 475 H PHE 62 H PHE 62 -6.678 -0.844 -13.814 476 HA PHE 62 HA PHE 62 -8.732 0.397 -15.166 477 1HB PHE 62 1HB PHE 62 -7.111 -0.032 -16.758 478 2HB PHE 62 2HB PHE 62 -6.304 -1.106 -15.633 479 HD1 PHE 62 HD1 PHE 62 -6.960 -3.539 -15.590 480 HD2 PHE 62 HD2 PHE 62 -8.282 -0.887 -18.626 481 HE1 PHE 62 HE1 PHE 62 -7.514 -5.496 -17.059 482 HE2 PHE 62 HE2 PHE 62 -8.836 -2.844 -20.095 483 HZ PHE 62 HZ PHE 62 -8.446 -5.127 -19.294 484 H GLU 63 H GLU 63 -8.748 -2.651 -13.544 485 HA GLU 63 HA GLU 63 -10.647 -3.848 -15.307 486 1HB GLU 63 1HB GLU 63 -9.100 -4.635 -12.903 487 2HB GLU 63 2HB GLU 63 -10.705 -5.336 -12.966 488 1HG GLU 63 1HG GLU 63 -9.075 -5.393 -15.499 489 2HG GLU 63 2HG GLU 63 -8.586 -6.470 -14.204 490 H ASP 64 H ASP 64 -10.621 -1.896 -12.341 491 HA ASP 64 HA ASP 64 -13.318 -2.505 -11.704 492 1HB ASP 64 1HB ASP 64 -11.154 -1.375 -10.367 493 2HB ASP 64 2HB ASP 64 -12.156 0.031 -10.670 494 H VAL 65 H VAL 65 -11.475 0.386 -12.947 495 HA VAL 65 HA VAL 65 -13.696 2.011 -13.371 496 HB VAL 65 HB VAL 65 -11.758 3.183 -13.386 497 1HG1 VAL 65 2HG1 VAL 65 -10.577 0.752 -14.679 498 2HG1 VAL 65 3HG1 VAL 65 -9.742 2.312 -14.870 499 3HG1 VAL 65 1HG1 VAL 65 -10.043 1.659 -13.242 500 1HG2 VAL 65 2HG2 VAL 65 -13.045 3.647 -15.507 501 2HG2 VAL 65 3HG2 VAL 65 -11.322 4.091 -15.555 502 3HG2 VAL 65 1HG2 VAL 65 -11.880 2.605 -16.359 503 H GLY 66 H GLY 66 -12.730 -0.904 -14.918 504 1HA GLY 66 2HA GLY 66 -14.900 -1.146 -16.554 505 2HA GLY 66 1HA GLY 66 -13.358 -1.934 -16.821 506 H HIS 67 H HIS 67 -11.565 -0.277 -17.734 507 HA HIS 67 HA HIS 67 -12.316 1.914 -19.203 508 1HB HIS 67 1HB HIS 67 -10.056 -0.064 -19.490 509 2HB HIS 67 2HB HIS 67 -10.221 1.296 -20.581 510 HD1 HIS 67 HD1 HIS 67 -8.900 0.364 -17.290 511 HD2 HIS 67 HD2 HIS 67 -10.119 3.902 -19.185 512 HE1 HIS 67 HE1 HIS 67 -7.921 2.283 -15.921 513 HE2 HIS 67 HE2 HIS 67 -8.660 4.429 -17.165 514 H SER 68 H SER 68 -11.761 1.762 -21.838 515 HA SER 68 HA SER 68 -13.839 -0.055 -22.756 516 1HB SER 68 1HB SER 68 -14.385 1.504 -24.419 517 2HB SER 68 2HB SER 68 -13.933 2.543 -23.081 518 HG SER 68 HG SER 68 -12.787 3.371 -24.786 519 H THR 69 H THR 69 -13.498 -1.207 -24.827 520 HA THR 69 HA THR 69 -11.067 -2.492 -24.997 521 HB THR 69 HB THR 69 -13.402 -2.051 -26.906 522 HG1 THR 69 HG1 THR 69 -13.960 -3.938 -25.855 523 1HG2 THR 69 3HG2 THR 69 -10.904 -3.779 -27.278 524 2HG2 THR 69 1HG2 THR 69 -12.436 -4.079 -28.134 525 3HG2 THR 69 2HG2 THR 69 -11.543 -2.564 -28.412 526 H ASP 70 H ASP 70 -12.013 0.664 -26.249 527 HA ASP 70 HA ASP 70 -9.996 0.781 -28.191 528 1HB ASP 70 1HB ASP 70 -12.038 2.244 -28.128 529 2HB ASP 70 2HB ASP 70 -11.421 3.029 -26.689 530 H ALA 71 H ALA 71 -10.398 2.047 -24.804 531 HA ALA 71 HA ALA 71 -8.004 3.394 -24.582 532 1HB ALA 71 3HB ALA 71 -8.353 3.148 -22.166 533 2HB ALA 71 1HB ALA 71 -9.901 3.478 -22.980 534 3HB ALA 71 2HB ALA 71 -9.511 1.824 -22.450 535 H ARG 72 H ARG 72 -8.780 -0.088 -23.973 536 HA ARG 72 HA ARG 72 -6.291 -0.763 -23.026 537 1HB ARG 72 1HB ARG 72 -8.135 -2.553 -24.684 538 2HB ARG 72 2HB ARG 72 -6.948 -3.087 -23.510 539 1HG ARG 72 1HG ARG 72 -8.217 -1.901 -21.700 540 2HG ARG 72 2HG ARG 72 -9.410 -1.390 -22.878 541 1HD ARG 72 1HD ARG 72 -9.830 -3.847 -23.418 542 2HD ARG 72 2HD ARG 72 -8.758 -4.272 -22.100 543 HE ARG 72 HE ARG 72 -10.836 -2.403 -21.264 544 1HH1 ARG 72 2HH1 ARG 72 -12.464 -3.156 -19.849 545 2HH1 ARG 72 1HH1 ARG 72 -12.701 -4.857 -19.631 546 1HH2 ARG 72 2HH2 ARG 72 -10.131 -5.801 -21.846 547 2HH2 ARG 72 1HH2 ARG 72 -11.365 -6.371 -20.774 548 H GLU 73 H GLU 73 -7.650 -0.710 -26.376 549 HA GLU 73 HA GLU 73 -5.485 -1.902 -27.611 550 1HB GLU 73 1HB GLU 73 -7.964 -0.803 -28.378 551 2HB GLU 73 2HB GLU 73 -6.787 0.144 -29.265 552 1HG GLU 73 1HG GLU 73 -5.880 -1.772 -30.363 553 2HG GLU 73 2HG GLU 73 -6.564 -2.883 -29.193 554 H LEU 74 H LEU 74 -6.249 1.580 -26.972 555 HA LEU 74 HA LEU 74 -4.082 2.664 -28.306 556 1HB LEU 74 1HB LEU 74 -5.031 4.534 -27.640 557 2HB LEU 74 2HB LEU 74 -6.218 3.563 -26.793 558 HG LEU 74 HG LEU 74 -4.310 3.618 -24.898 559 1HD1 LEU 74 3HD1 LEU 74 -3.580 5.736 -26.790 560 2HD1 LEU 74 1HD1 LEU 74 -3.777 6.304 -25.115 561 3HD1 LEU 74 2HD1 LEU 74 -2.639 4.985 -25.478 562 1HD2 LEU 74 3HD2 LEU 74 -6.818 4.840 -25.357 563 2HD2 LEU 74 1HD2 LEU 74 -6.001 4.544 -23.805 564 3HD2 LEU 74 2HD2 LEU 74 -5.755 6.086 -24.659 565 H SER 75 H SER 75 -4.372 1.265 -25.010 566 HA SER 75 HA SER 75 -1.871 2.108 -24.147 567 1HB SER 75 1HB SER 75 -2.818 -0.502 -23.095 568 2HB SER 75 2HB SER 75 -2.399 0.965 -22.231 569 HG SER 75 HG SER 75 -4.707 0.383 -22.134 570 H LYS 76 H LYS 76 -2.993 -0.656 -26.105 571 HA LYS 76 HA LYS 76 -0.685 -2.229 -25.866 572 1HB LYS 76 1HB LYS 76 -3.192 -2.413 -27.097 573 2HB LYS 76 2HB LYS 76 -2.052 -2.481 -28.425 574 1HG LYS 76 1HG LYS 76 -1.586 -4.632 -27.894 575 2HG LYS 76 2HG LYS 76 -0.933 -4.100 -26.358 576 1HD LYS 76 1HD LYS 76 -2.766 -4.814 -25.197 577 2HD LYS 76 2HD LYS 76 -3.883 -4.122 -26.357 578 1HE LYS 76 1HE LYS 76 -3.350 -6.082 -27.914 579 2HE LYS 76 2HE LYS 76 -2.430 -6.797 -26.605 580 1HZ LYS 76 2HZ LYS 76 -4.744 -6.193 -25.418 581 2HZ LYS 76 3HZ LYS 76 -5.257 -6.593 -26.917 582 3HZ LYS 76 1HZ LYS 76 -4.380 -7.657 -26.041 583 H THR 77 H THR 77 -1.281 0.814 -27.408 584 HA THR 77 HA THR 77 0.876 0.449 -29.329 585 HB THR 77 HB THR 77 -0.016 2.394 -30.332 586 HG1 THR 77 HG1 THR 77 -1.022 4.000 -28.946 587 1HG2 THR 77 1HG2 THR 77 -1.885 0.606 -29.980 588 2HG2 THR 77 2HG2 THR 77 -2.444 1.638 -28.643 589 3HG2 THR 77 3HG2 THR 77 -2.419 2.272 -30.306 590 H PHE 78 H PHE 78 0.382 1.550 -26.065 591 HA PHE 78 HA PHE 78 2.858 3.087 -26.176 592 1HB PHE 78 1HB PHE 78 0.507 2.699 -24.258 593 2HB PHE 78 2HB PHE 78 1.990 3.416 -23.660 594 HD1 PHE 78 HD1 PHE 78 2.770 5.056 -26.034 595 HD2 PHE 78 HD2 PHE 78 -1.002 4.481 -24.176 596 HE1 PHE 78 HE1 PHE 78 2.020 7.302 -26.863 597 HE2 PHE 78 HE2 PHE 78 -1.753 6.727 -25.007 598 HZ PHE 78 HZ PHE 78 -0.234 8.111 -26.340 599 H ILE 79 H ILE 79 1.815 -0.091 -25.639 600 HA ILE 79 HA ILE 79 3.177 -0.833 -23.343 601 HB ILE 79 HB ILE 79 1.968 -2.122 -25.675 602 1HG1 ILE 79 1HG1 ILE 79 2.063 -2.560 -22.692 603 2HG1 ILE 79 2HG1 ILE 79 0.711 -2.052 -23.685 604 1HG2 ILE 79 3HG2 ILE 79 4.252 -3.036 -25.869 605 2HG2 ILE 79 1HG2 ILE 79 4.150 -3.610 -24.189 606 3HG2 ILE 79 2HG2 ILE 79 3.054 -4.273 -25.424 607 1HD1 ILE 79 2HD1 ILE 79 1.001 -4.370 -24.887 608 2HD1 ILE 79 3HD1 ILE 79 1.946 -4.809 -23.443 609 3HD1 ILE 79 1HD1 ILE 79 0.239 -4.331 -23.278 610 H ILE 80 H ILE 80 5.294 -0.955 -22.813 611 HA ILE 80 HA ILE 80 7.194 -0.734 -25.038 612 HB ILE 80 HB ILE 80 8.648 -0.071 -22.882 613 1HG1 ILE 80 1HG1 ILE 80 7.188 1.515 -21.531 614 2HG1 ILE 80 2HG1 ILE 80 5.798 0.690 -22.207 615 1HG2 ILE 80 1HG2 ILE 80 7.553 1.209 -25.128 616 2HG2 ILE 80 2HG2 ILE 80 7.205 2.276 -23.745 617 3HG2 ILE 80 3HG2 ILE 80 8.879 1.777 -24.086 618 1HD1 ILE 80 3HD1 ILE 80 7.465 -1.411 -21.356 619 2HD1 ILE 80 1HD1 ILE 80 7.616 -0.179 -20.079 620 3HD1 ILE 80 2HD1 ILE 80 6.012 -0.812 -20.520 621 H GLY 81 H GLY 81 6.015 -2.692 -22.379 622 1HA GLY 81 2HA GLY 81 8.182 -4.231 -21.697 623 2HA GLY 81 1HA GLY 81 7.621 -4.905 -23.214 624 H GLU 82 H GLU 82 7.557 -6.130 -20.507 625 HA GLU 82 HA GLU 82 4.792 -6.040 -19.771 626 1HB GLU 82 1HB GLU 82 5.750 -8.810 -20.394 627 2HB GLU 82 2HB GLU 82 4.128 -8.150 -20.461 628 1HG GLU 82 1HG GLU 82 4.711 -6.882 -22.526 629 2HG GLU 82 2HG GLU 82 6.355 -7.488 -22.449 630 H LEU 83 H LEU 83 4.379 -7.405 -17.776 631 HA LEU 83 HA LEU 83 6.566 -7.102 -15.993 632 1HB LEU 83 1HB LEU 83 4.007 -6.885 -15.619 633 2HB LEU 83 2HB LEU 83 4.048 -8.623 -15.397 634 HG LEU 83 HG LEU 83 4.370 -8.125 -13.238 635 1HD1 LEU 83 3HD1 LEU 83 6.577 -9.018 -13.999 636 2HD1 LEU 83 1HD1 LEU 83 7.172 -7.341 -14.076 637 3HD1 LEU 83 2HD1 LEU 83 6.649 -8.031 -12.519 638 1HD2 LEU 83 1HD2 LEU 83 4.617 -5.454 -14.300 639 2HD2 LEU 83 2HD2 LEU 83 4.028 -5.997 -12.710 640 3HD2 LEU 83 3HD2 LEU 83 5.764 -5.698 -12.960 641 H HIS 84 H HIS 84 8.245 -8.462 -15.727 642 HA HIS 84 HA HIS 84 8.301 -10.945 -17.030 643 1HB HIS 84 1HB HIS 84 10.125 -9.195 -15.791 644 2HB HIS 84 2HB HIS 84 10.258 -10.701 -14.904 645 HD1 HIS 84 HD1 HIS 84 12.734 -10.648 -16.086 646 HD2 HIS 84 HD2 HIS 84 9.450 -11.424 -18.577 647 HE1 HIS 84 HE1 HIS 84 13.681 -11.685 -18.217 648 HE2 HIS 84 HE2 HIS 84 11.612 -12.190 -19.685 649 HA PRO 85 HA PRO 85 7.093 -13.714 -13.901 650 1HB PRO 85 1HB PRO 85 9.129 -15.478 -13.449 651 2HB PRO 85 2HB PRO 85 8.074 -15.570 -14.845 652 1HG PRO 85 1HG PRO 85 10.873 -14.633 -14.696 653 2HG PRO 85 2HG PRO 85 9.956 -15.130 -16.104 654 1HD PRO 85 1HD PRO 85 10.581 -12.442 -15.323 655 2HD PRO 85 2HD PRO 85 9.568 -12.934 -16.665 656 H ASP 86 H ASP 86 8.957 -11.320 -13.092 657 HA ASP 86 HA ASP 86 9.862 -12.201 -10.571 658 1HB ASP 86 1HB ASP 86 11.100 -10.351 -11.093 659 2HB ASP 86 2HB ASP 86 9.878 -9.733 -12.184 660 H ASP 87 H ASP 87 6.899 -10.826 -11.946 661 HA ASP 87 HA ASP 87 5.391 -11.422 -9.728 662 1HB ASP 87 1HB ASP 87 6.449 -8.601 -9.872 663 2HB ASP 87 2HB ASP 87 4.787 -8.816 -9.360 664 H ARG 88 H ARG 88 4.975 -12.027 -12.325 665 HA ARG 88 HA ARG 88 3.366 -9.943 -13.499 666 1HB ARG 88 1HB ARG 88 3.321 -11.463 -15.500 667 2HB ARG 88 2HB ARG 88 4.954 -11.095 -14.986 668 1HG ARG 88 1HG ARG 88 4.809 -13.291 -13.576 669 2HG ARG 88 2HG ARG 88 3.393 -13.666 -14.536 670 1HD ARG 88 1HD ARG 88 4.821 -13.318 -16.632 671 2HD ARG 88 2HD ARG 88 6.218 -13.167 -15.586 672 HE ARG 88 HE ARG 88 6.167 -15.482 -15.195 673 1HH1 ARG 88 2HH1 ARG 88 5.428 -17.617 -15.538 674 2HH1 ARG 88 1HH1 ARG 88 3.890 -17.891 -16.283 675 1HH2 ARG 88 2HH2 ARG 88 3.140 -14.471 -16.675 676 2HH2 ARG 88 1HH2 ARG 88 2.578 -16.090 -16.934 677 H SER 89 H SER 89 3.153 -13.477 -12.648 678 HA SER 89 HA SER 89 0.370 -13.530 -13.090 679 1HB SER 89 1HB SER 89 1.996 -15.499 -13.233 680 2HB SER 89 2HB SER 89 2.043 -15.506 -11.480 681 HG SER 89 HG SER 89 0.278 -16.702 -11.561 682 H LYS 90 H LYS 90 2.178 -12.015 -10.730 683 HA LYS 90 HA LYS 90 0.375 -12.675 -8.539 684 1HB LYS 90 1HB LYS 90 3.125 -11.698 -8.794 685 2HB LYS 90 2HB LYS 90 2.188 -10.780 -7.632 686 1HG LYS 90 1HG LYS 90 1.914 -13.775 -7.544 687 2HG LYS 90 2HG LYS 90 3.434 -13.100 -6.992 688 1HD LYS 90 1HD LYS 90 2.486 -12.496 -5.025 689 2HD LYS 90 2HD LYS 90 1.318 -11.497 -5.869 690 1HE LYS 90 1HE LYS 90 -0.075 -13.589 -6.282 691 2HE LYS 90 2HE LYS 90 1.049 -14.481 -5.277 692 1HZ LYS 90 2HZ LYS 90 -0.418 -12.102 -4.371 693 2HZ LYS 90 3HZ LYS 90 -0.888 -13.639 -4.079 694 3HZ LYS 90 1HZ LYS 90 0.512 -13.079 -3.451 695 H ILE 91 H ILE 91 0.359 -10.699 -11.219 696 HA ILE 91 HA ILE 91 -1.413 -8.829 -9.845 697 HB ILE 91 HB ILE 91 -0.431 -6.926 -10.692 698 1HG1 ILE 91 1HG1 ILE 91 0.906 -8.730 -12.702 699 2HG1 ILE 91 2HG1 ILE 91 -0.169 -7.374 -12.983 700 1HG2 ILE 91 1HG2 ILE 91 0.945 -8.286 -8.951 701 2HG2 ILE 91 2HG2 ILE 91 2.097 -8.497 -10.291 702 3HG2 ILE 91 3HG2 ILE 91 1.671 -6.861 -9.733 703 1HD1 ILE 91 3HD1 ILE 91 1.816 -6.081 -11.631 704 2HD1 ILE 91 1HD1 ILE 91 2.759 -7.387 -12.389 705 3HD1 ILE 91 2HD1 ILE 91 1.808 -6.272 -13.400 706 H THR 92 H THR 92 -0.188 -10.307 -12.888 707 HA THR 92 HA THR 92 -1.808 -9.462 -14.792 708 HB THR 92 HB THR 92 -0.143 -11.461 -14.725 709 HG1 THR 92 HG1 THR 92 -1.357 -12.314 -16.584 710 1HG2 THR 92 1HG2 THR 92 -1.480 -12.823 -13.033 711 2HG2 THR 92 2HG2 THR 92 -2.772 -12.959 -14.250 712 3HG2 THR 92 3HG2 THR 92 -1.176 -13.683 -14.562 713 H LYS 93 H LYS 93 -2.902 -11.787 -12.241 714 HA LYS 93 HA LYS 93 -5.604 -11.554 -13.238 715 1HB LYS 93 1HB LYS 93 -4.760 -13.734 -12.532 716 2HB LYS 93 2HB LYS 93 -4.411 -13.118 -10.928 717 1HG LYS 93 1HG LYS 93 -7.217 -12.850 -12.041 718 2HG LYS 93 2HG LYS 93 -6.692 -14.395 -11.402 719 1HD LYS 93 1HD LYS 93 -5.847 -12.792 -9.369 720 2HD LYS 93 2HD LYS 93 -7.167 -11.802 -9.963 721 1HE LYS 93 1HE LYS 93 -8.782 -13.291 -9.266 722 2HE LYS 93 2HE LYS 93 -7.831 -14.695 -9.707 723 1HZ LYS 93 2HZ LYS 93 -6.963 -13.070 -7.456 724 2HZ LYS 93 3HZ LYS 93 -8.209 -14.105 -7.246 725 3HZ LYS 93 1HZ LYS 93 -6.750 -14.668 -7.719 726 HA PRO 94 HA PRO 94 -6.390 -8.203 -10.571 727 1HB PRO 94 1HB PRO 94 -8.989 -7.767 -11.300 728 2HB PRO 94 2HB PRO 94 -7.624 -7.109 -12.180 729 1HG PRO 94 1HG PRO 94 -9.382 -9.370 -12.909 730 2HG PRO 94 2HG PRO 94 -8.311 -8.438 -13.935 731 1HD PRO 94 1HD PRO 94 -7.839 -11.075 -12.909 732 2HD PRO 94 2HD PRO 94 -6.722 -10.097 -13.839 733 H SER 95 H SER 95 -9.609 -9.478 -10.673 734 HA SER 95 HA SER 95 -9.407 -11.134 -8.487 735 1HB SER 95 1HB SER 95 -10.123 -9.831 -6.622 736 2HB SER 95 2HB SER 95 -8.831 -8.904 -7.359 737 HG SER 95 HG SER 95 -10.373 -7.367 -7.147 738 H GLU 96 H GLU 96 -11.905 -10.870 -7.264 739 HA GLU 96 HA GLU 96 -13.693 -10.791 -9.568 740 1HB GLU 96 1HB GLU 96 -15.003 -12.614 -8.404 741 2HB GLU 96 2HB GLU 96 -13.415 -13.110 -8.955 742 1HG GLU 96 1HG GLU 96 -12.503 -12.705 -6.648 743 2HG GLU 96 2HG GLU 96 -14.108 -12.252 -6.104 744 H SER 97 H SER 97 -16.160 -10.970 -8.393 745 HA SER 97 HA SER 97 -16.162 -9.037 -6.240 746 1HB SER 97 1HB SER 97 -17.731 -7.563 -7.331 747 2HB SER 97 2HB SER 97 -16.384 -7.794 -8.430 748 HG SER 97 HG SER 97 -19.042 -8.387 -8.799 749 H ILE 98 H ILE 98 -17.787 -9.462 -4.728 750 HA ILE 98 HA ILE 98 -20.153 -10.856 -5.454 751 HB ILE 98 HB ILE 98 -18.360 -12.652 -5.414 752 1HG1 ILE 98 1HG1 ILE 98 -20.329 -13.491 -3.392 753 2HG1 ILE 98 2HG1 ILE 98 -21.036 -12.683 -4.777 754 1HG2 ILE 98 1HG2 ILE 98 -17.389 -11.580 -3.223 755 2HG2 ILE 98 2HG2 ILE 98 -18.601 -12.614 -2.428 756 3HG2 ILE 98 3HG2 ILE 98 -17.353 -13.342 -3.467 757 1HD1 ILE 98 2HD1 ILE 98 -19.240 -14.322 -6.048 758 2HD1 ILE 98 3HD1 ILE 98 -19.639 -15.310 -4.622 759 3HD1 ILE 98 1HD1 ILE 98 -20.931 -14.771 -5.721 760 H ILE 99 H ILE 99 -21.635 -9.790 -4.270 761 HA ILE 99 HA ILE 99 -20.887 -9.136 -1.508 762 HB ILE 99 HB ILE 99 -22.214 -7.053 -1.768 763 1HG1 ILE 99 1HG1 ILE 99 -21.915 -7.135 -4.726 764 2HG1 ILE 99 2HG1 ILE 99 -23.199 -8.115 -4.049 765 1HG2 ILE 99 1HG2 ILE 99 -19.771 -7.033 -1.795 766 2HG2 ILE 99 2HG2 ILE 99 -19.777 -7.310 -3.553 767 3HG2 ILE 99 3HG2 ILE 99 -20.438 -5.796 -2.888 768 1HD1 ILE 99 1HD1 ILE 99 -22.833 -5.226 -3.182 769 2HD1 ILE 99 2HD1 ILE 99 -23.751 -5.644 -4.648 770 3HD1 ILE 99 3HD1 ILE 99 -24.288 -6.244 -3.061 771 H THR 100 H THR 100 -23.147 -8.388 -0.366 772 HA THR 100 HA THR 100 -25.461 -9.757 -1.261 773 HB THR 100 HB THR 100 -23.952 -11.690 -0.546 774 HG1 THR 100 HG1 THR 100 -26.280 -11.007 1.109 775 1HG2 THR 100 1HG2 THR 100 -24.288 -10.252 2.130 776 2HG2 THR 100 2HG2 THR 100 -23.966 -12.000 2.023 777 3HG2 THR 100 3HG2 THR 100 -22.776 -10.836 1.393 778 H THR 101 H THR 101 -27.292 -9.129 -0.133 779 HA THR 101 HA THR 101 -27.004 -7.802 2.404 780 HB THR 101 HB THR 101 -27.652 -6.275 -0.169 781 HG1 THR 101 HG1 THR 101 -25.756 -6.129 2.066 782 1HG2 THR 101 3HG2 THR 101 -27.819 -5.367 2.752 783 2HG2 THR 101 1HG2 THR 101 -27.982 -4.309 1.331 784 3HG2 THR 101 2HG2 THR 101 -29.211 -5.556 1.659 785 H ILE 102 H ILE 102 -29.051 -7.358 3.429 786 HA ILE 102 HA ILE 102 -31.449 -8.100 2.086 787 HB ILE 102 HB ILE 102 -30.540 -10.320 2.431 788 1HG1 ILE 102 1HG1 ILE 102 -32.790 -9.852 4.404 789 2HG1 ILE 102 2HG1 ILE 102 -33.011 -9.798 2.665 790 1HG2 ILE 102 3HG2 ILE 102 -29.200 -9.511 4.520 791 2HG2 ILE 102 1HG2 ILE 102 -30.664 -9.993 5.411 792 3HG2 ILE 102 2HG2 ILE 102 -29.785 -11.189 4.430 793 1HD1 ILE 102 2HD1 ILE 102 -31.579 -12.176 3.043 794 2HD1 ILE 102 3HD1 ILE 102 -32.692 -12.128 4.431 795 3HD1 ILE 102 1HD1 ILE 102 -33.334 -12.043 2.772 796 H ASP 103 H ASP 103 -29.725 -7.686 5.238 797 HA ASP 103 HA ASP 103 -31.814 -7.021 6.792 798 1HB ASP 103 1HB ASP 103 -29.311 -7.160 7.372 799 2HB ASP 103 2HB ASP 103 -29.159 -5.516 6.784 800 H SER 104 H SER 104 -32.230 -4.616 7.676 801 HA SER 104 HA SER 104 -33.002 -2.618 7.334 802 1HB SER 104 1HB SER 104 -30.858 -1.804 6.719 803 2HB SER 104 2HB SER 104 -30.861 -2.659 5.191 804 HG SER 104 HG SER 104 -32.462 -1.201 4.387 No H/Q in entry = 804 Start of MODEL 28 1 H ALA 1 H ALA 1 25.356 4.086 -34.360 2 HA ALA 1 HA ALA 1 27.199 4.626 -36.485 3 1HB ALA 1 2HB ALA 1 27.427 6.570 -34.218 4 2HB ALA 1 3HB ALA 1 27.889 6.750 -35.929 5 3HB ALA 1 1HB ALA 1 26.179 6.884 -35.448 6 H GLU 2 H GLU 2 26.795 4.730 -32.870 7 HA GLU 2 HA GLU 2 29.156 3.028 -32.744 8 1HB GLU 2 1HB GLU 2 28.918 5.371 -31.516 9 2HB GLU 2 2HB GLU 2 27.999 4.450 -30.342 10 1HG GLU 2 1HG GLU 2 30.046 2.776 -30.421 11 2HG GLU 2 2HG GLU 2 30.910 4.127 -31.130 12 H GLU 3 H GLU 3 25.994 3.607 -31.032 13 HA GLU 3 HA GLU 3 25.133 1.013 -31.323 14 1HB GLU 3 1HB GLU 3 27.180 1.087 -29.428 15 2HB GLU 3 2HB GLU 3 25.738 1.170 -28.435 16 1HG GLU 3 1HG GLU 3 24.854 -0.882 -29.381 17 2HG GLU 3 2HG GLU 3 26.054 -0.891 -30.659 18 H SER 4 H SER 4 23.103 0.600 -30.010 19 HA SER 4 HA SER 4 22.068 2.430 -28.268 20 1HB SER 4 1HB SER 4 22.160 3.611 -30.778 21 2HB SER 4 2HB SER 4 20.533 2.961 -30.751 22 HG SER 4 HG SER 4 20.876 4.078 -28.345 23 H SER 5 H SER 5 19.691 1.997 -27.849 24 HA SER 5 HA SER 5 18.303 0.111 -29.318 25 1HB SER 5 1HB SER 5 18.431 -1.867 -27.856 26 2HB SER 5 2HB SER 5 20.012 -1.482 -28.506 27 HG SER 5 HG SER 5 20.664 -1.484 -26.469 28 H LYS 6 H LYS 6 16.326 -0.733 -27.940 29 HA LYS 6 HA LYS 6 15.717 0.324 -25.472 30 1HB LYS 6 1HB LYS 6 14.117 2.165 -26.192 31 2HB LYS 6 2HB LYS 6 15.826 2.546 -26.224 32 1HG LYS 6 1HG LYS 6 15.927 2.184 -28.651 33 2HG LYS 6 2HG LYS 6 14.280 1.586 -28.675 34 1HD LYS 6 1HD LYS 6 14.027 4.085 -27.425 35 2HD LYS 6 2HD LYS 6 15.262 4.372 -28.636 36 1HE LYS 6 1HE LYS 6 13.743 4.291 -30.328 37 2HE LYS 6 2HE LYS 6 13.101 2.761 -29.768 38 1HZ LYS 6 3HZ LYS 6 12.392 5.022 -28.155 39 2HZ LYS 6 1HZ LYS 6 11.777 5.048 -29.668 40 3HZ LYS 6 2HZ LYS 6 11.466 3.784 -28.681 41 H ALA 7 H ALA 7 14.256 -1.150 -24.811 42 HA ALA 7 HA ALA 7 11.787 -1.544 -25.788 43 1HB ALA 7 2HB ALA 7 12.077 -2.453 -27.839 44 2HB ALA 7 1HB ALA 7 12.543 -3.933 -26.968 45 3HB ALA 7 3HB ALA 7 13.796 -2.803 -27.538 46 H VAL 8 H VAL 8 12.144 -1.538 -23.346 47 HA VAL 8 HA VAL 8 13.391 -3.322 -21.837 48 HB VAL 8 HB VAL 8 12.177 -2.028 -20.493 49 1HG1 VAL 8 1HG1 VAL 8 10.310 -1.880 -22.821 50 2HG1 VAL 8 2HG1 VAL 8 9.686 -1.418 -21.220 51 3HG1 VAL 8 3HG1 VAL 8 11.100 -0.579 -21.901 52 1HG2 VAL 8 3HG2 VAL 8 11.390 -4.304 -19.906 53 2HG2 VAL 8 1HG2 VAL 8 10.182 -3.046 -19.542 54 3HG2 VAL 8 2HG2 VAL 8 9.989 -4.077 -20.981 55 H LYS 9 H LYS 9 10.043 -3.996 -23.099 56 HA LYS 9 HA LYS 9 9.174 -5.879 -23.902 57 1HB LYS 9 1HB LYS 9 11.920 -6.318 -24.348 58 2HB LYS 9 2HB LYS 9 11.340 -7.779 -23.577 59 1HG LYS 9 1HG LYS 9 9.386 -7.760 -25.249 60 2HG LYS 9 2HG LYS 9 10.211 -6.462 -26.088 61 1HD LYS 9 1HD LYS 9 12.271 -8.264 -25.858 62 2HD LYS 9 2HD LYS 9 10.911 -9.367 -25.925 63 1HE LYS 9 1HE LYS 9 10.400 -7.412 -27.935 64 2HE LYS 9 2HE LYS 9 12.105 -7.790 -28.076 65 1HZ LYS 9 2HZ LYS 9 9.975 -9.812 -27.970 66 2HZ LYS 9 3HZ LYS 9 10.676 -9.276 -29.345 67 3HZ LYS 9 1HZ LYS 9 11.562 -10.091 -28.241 68 H TYR 10 H TYR 10 11.492 -6.561 -21.190 69 HA TYR 10 HA TYR 10 9.194 -7.572 -19.682 70 1HB TYR 10 1HB TYR 10 11.619 -9.012 -19.022 71 2HB TYR 10 2HB TYR 10 10.178 -9.676 -19.767 72 HD1 TYR 10 HD1 TYR 10 10.243 -10.474 -21.977 73 HD2 TYR 10 HD2 TYR 10 13.358 -7.889 -20.591 74 HE1 TYR 10 HE1 TYR 10 11.549 -10.888 -24.119 75 HE2 TYR 10 HE2 TYR 10 14.653 -8.311 -22.738 76 HH TYR 10 HH TYR 10 13.555 -10.703 -25.065 77 H TYR 11 H TYR 11 9.014 -6.351 -17.875 78 HA TYR 11 HA TYR 11 11.526 -5.488 -16.610 79 1HB TYR 11 1HB TYR 11 9.088 -4.095 -17.607 80 2HB TYR 11 2HB TYR 11 9.386 -3.734 -15.918 81 HD1 TYR 11 HD1 TYR 11 9.774 -1.364 -16.472 82 HD2 TYR 11 HD2 TYR 11 12.236 -4.457 -18.106 83 HE1 TYR 11 HE1 TYR 11 11.508 0.366 -17.151 84 HE2 TYR 11 HE2 TYR 11 13.964 -2.716 -18.780 85 HH TYR 11 HH TYR 11 13.545 0.133 -19.282 86 H THR 12 H THR 12 11.154 -4.880 -14.221 87 HA THR 12 HA THR 12 9.343 -6.894 -13.068 88 HB THR 12 HB THR 12 10.965 -7.033 -11.260 89 HG1 THR 12 HG1 THR 12 12.833 -5.417 -11.529 90 1HG2 THR 12 3HG2 THR 12 11.702 -7.806 -13.762 91 2HG2 THR 12 1HG2 THR 12 12.915 -6.532 -13.497 92 3HG2 THR 12 2HG2 THR 12 12.816 -7.913 -12.378 93 H LEU 13 H LEU 13 8.063 -6.380 -11.241 94 HA LEU 13 HA LEU 13 6.661 -4.083 -11.372 95 1HB LEU 13 1HB LEU 13 7.130 -6.165 -9.348 96 2HB LEU 13 2HB LEU 13 6.556 -4.643 -8.696 97 HG LEU 13 HG LEU 13 5.192 -6.488 -10.647 98 1HD1 LEU 13 3HD1 LEU 13 5.037 -6.171 -7.890 99 2HD1 LEU 13 1HD1 LEU 13 3.607 -5.310 -8.508 100 3HD1 LEU 13 2HD1 LEU 13 3.872 -7.018 -8.936 101 1HD2 LEU 13 2HD2 LEU 13 4.790 -3.537 -10.318 102 2HD2 LEU 13 3HD2 LEU 13 4.728 -4.545 -11.784 103 3HD2 LEU 13 1HD2 LEU 13 3.383 -4.586 -10.619 104 H GLU 14 H GLU 14 9.807 -4.623 -9.762 105 HA GLU 14 HA GLU 14 9.797 -2.205 -8.366 106 1HB GLU 14 1HB GLU 14 11.558 -4.450 -8.750 107 2HB GLU 14 2HB GLU 14 12.489 -2.993 -9.031 108 1HG GLU 14 1HG GLU 14 11.187 -2.184 -6.802 109 2HG GLU 14 2HG GLU 14 11.108 -3.912 -6.519 110 H GLU 15 H GLU 15 11.186 -3.202 -11.562 111 HA GLU 15 HA GLU 15 12.434 -0.840 -12.140 112 1HB GLU 15 1HB GLU 15 11.084 -2.824 -14.020 113 2HB GLU 15 2HB GLU 15 12.182 -1.565 -14.547 114 1HG GLU 15 1HG GLU 15 13.346 -3.088 -12.331 115 2HG GLU 15 2HG GLU 15 12.872 -4.160 -13.635 116 H ILE 16 H ILE 16 8.997 -1.725 -12.254 117 HA ILE 16 HA ILE 16 8.317 0.653 -13.751 118 HB ILE 16 HB ILE 16 6.490 -1.360 -12.447 119 1HG1 ILE 16 1HG1 ILE 16 6.884 -1.661 -15.321 120 2HG1 ILE 16 2HG1 ILE 16 8.374 -1.912 -14.433 121 1HG2 ILE 16 2HG2 ILE 16 5.970 1.085 -13.706 122 2HG2 ILE 16 3HG2 ILE 16 5.583 -0.160 -14.920 123 3HG2 ILE 16 1HG2 ILE 16 4.806 -0.205 -13.319 124 1HD1 ILE 16 2HD1 ILE 16 6.083 -3.188 -13.095 125 2HD1 ILE 16 3HD1 ILE 16 6.318 -3.782 -14.757 126 3HD1 ILE 16 1HD1 ILE 16 7.646 -3.889 -13.578 127 H GLN 17 H GLN 17 8.281 -0.599 -10.396 128 HA GLN 17 HA GLN 17 6.690 1.366 -9.310 129 1HB GLN 17 1HB GLN 17 7.875 -0.862 -8.346 130 2HB GLN 17 2HB GLN 17 9.008 0.316 -7.710 131 1HG GLN 17 1HG GLN 17 6.245 1.210 -7.303 132 2HG GLN 17 2HG GLN 17 6.486 -0.386 -6.621 133 1HE2 GLN 17 1HE2 GLN 17 6.087 2.264 -5.384 134 2HE2 GLN 17 2HE2 GLN 17 7.405 2.509 -4.287 135 H LYS 18 H LYS 18 10.015 1.444 -10.469 136 HA LYS 18 HA LYS 18 10.768 3.751 -8.971 137 1HB LYS 18 1HB LYS 18 12.831 3.462 -9.898 138 2HB LYS 18 2HB LYS 18 12.203 1.838 -10.101 139 1HG LYS 18 1HG LYS 18 11.407 2.526 -12.431 140 2HG LYS 18 2HG LYS 18 12.252 4.045 -12.211 141 1HD LYS 18 1HD LYS 18 14.074 1.921 -11.504 142 2HD LYS 18 2HD LYS 18 13.334 1.498 -13.036 143 1HE LYS 18 1HE LYS 18 14.137 3.457 -14.117 144 2HE LYS 18 2HE LYS 18 14.378 4.314 -12.607 145 1HZ LYS 18 1HZ LYS 18 15.978 2.193 -12.331 146 2HZ LYS 18 2HZ LYS 18 16.110 2.479 -13.934 147 3HZ LYS 18 3HZ LYS 18 16.466 3.658 -12.862 148 H HIS 19 H HIS 19 9.571 3.081 -12.312 149 HA HIS 19 HA HIS 19 9.599 5.896 -12.899 150 1HB HIS 19 1HB HIS 19 9.074 3.370 -14.404 151 2HB HIS 19 2HB HIS 19 8.353 4.845 -15.016 152 HD1 HIS 19 HD1 HIS 19 10.022 4.410 -17.104 153 HD2 HIS 19 HD2 HIS 19 11.826 5.490 -13.473 154 HE1 HIS 19 HE1 HIS 19 12.394 5.156 -17.677 155 HE2 HIS 19 HE2 HIS 19 13.434 5.858 -15.414 156 H ASN 20 H ASN 20 8.126 6.953 -11.566 157 HA ASN 20 HA ASN 20 5.371 6.239 -12.111 158 1HB ASN 20 1HB ASN 20 5.396 5.307 -9.967 159 2HB ASN 20 2HB ASN 20 6.740 6.298 -9.435 160 1HD2 ASN 20 1HD2 ASN 20 3.354 6.558 -10.491 161 2HD2 ASN 20 2HD2 ASN 20 2.865 7.788 -9.373 162 H ASN 21 H ASN 21 7.700 8.405 -12.556 163 HA ASN 21 HA ASN 21 6.364 10.704 -11.444 164 1HB ASN 21 1HB ASN 21 8.776 10.871 -13.274 165 2HB ASN 21 2HB ASN 21 8.361 11.902 -11.918 166 1HD2 ASN 21 1HD2 ASN 21 8.537 11.061 -9.769 167 2HD2 ASN 21 2HD2 ASN 21 9.697 9.835 -9.384 168 H SER 22 H SER 22 5.884 12.598 -12.955 169 HA SER 22 HA SER 22 4.369 11.784 -15.100 170 1HB SER 22 1HB SER 22 3.874 13.887 -14.077 171 2HB SER 22 2HB SER 22 5.517 14.468 -14.269 172 HG SER 22 HG SER 22 5.114 15.076 -16.303 173 H LYS 23 H LYS 23 7.791 12.104 -14.787 174 HA LYS 23 HA LYS 23 8.164 12.568 -17.639 175 1HB LYS 23 1HB LYS 23 10.416 13.042 -17.139 176 2HB LYS 23 2HB LYS 23 9.485 13.806 -15.866 177 1HG LYS 23 1HG LYS 23 10.008 12.051 -14.288 178 2HG LYS 23 2HG LYS 23 10.631 11.001 -15.547 179 1HD LYS 23 1HD LYS 23 11.967 13.666 -15.347 180 2HD LYS 23 2HD LYS 23 12.202 12.613 -13.966 181 1HE LYS 23 1HE LYS 23 13.251 10.917 -15.272 182 2HE LYS 23 2HE LYS 23 12.585 11.526 -16.773 183 1HZ LYS 23 1HZ LYS 23 13.958 13.553 -16.346 184 2HZ LYS 23 2HZ LYS 23 14.716 12.723 -15.160 185 3HZ LYS 23 3HZ LYS 23 14.798 12.199 -16.705 186 H SER 24 H SER 24 8.221 10.050 -15.153 187 HA SER 24 HA SER 24 8.842 8.176 -17.288 188 1HB SER 24 1HB SER 24 9.817 7.052 -14.852 189 2HB SER 24 2HB SER 24 10.741 7.515 -16.267 190 HG SER 24 HG SER 24 9.951 9.434 -14.257 191 H THR 25 H THR 25 6.389 8.134 -17.258 192 HA THR 25 HA THR 25 5.239 6.869 -14.901 193 HB THR 25 HB THR 25 3.658 7.468 -17.390 194 HG1 THR 25 HG1 THR 25 3.814 9.793 -16.551 195 1HG2 THR 25 2HG2 THR 25 3.380 7.944 -14.385 196 2HG2 THR 25 3HG2 THR 25 2.297 8.720 -15.564 197 3HG2 THR 25 1HG2 THR 25 2.343 6.946 -15.433 198 H TRP 26 H TRP 26 5.435 4.735 -14.665 199 HA TRP 26 HA TRP 26 5.002 3.119 -17.080 200 1HB TRP 26 1HB TRP 26 7.327 3.169 -15.285 201 2HB TRP 26 2HB TRP 26 6.653 1.570 -15.529 202 HD1 TRP 26 HD1 TRP 26 7.393 0.369 -17.747 203 HE1 TRP 26 HE1 TRP 26 8.662 0.982 -19.978 204 HE3 TRP 26 HE3 TRP 26 7.570 5.378 -16.888 205 HZ2 TRP 26 HZ2 TRP 26 9.577 3.437 -21.108 206 HZ3 TRP 26 HZ3 TRP 26 8.670 6.812 -18.605 207 HH2 TRP 26 HH2 TRP 26 9.652 5.917 -20.658 208 H LEU 27 H LEU 27 3.631 1.335 -16.750 209 HA LEU 27 HA LEU 27 2.959 0.550 -14.069 210 1HB LEU 27 1HB LEU 27 0.793 1.256 -13.943 211 2HB LEU 27 2HB LEU 27 1.583 2.640 -14.673 212 HG LEU 27 HG LEU 27 -0.291 2.512 -15.970 213 1HD1 LEU 27 2HD1 LEU 27 1.935 2.043 -17.289 214 2HD1 LEU 27 3HD1 LEU 27 1.157 0.476 -17.619 215 3HD1 LEU 27 1HD1 LEU 27 0.355 1.987 -18.108 216 1HD2 LEU 27 3HD2 LEU 27 -0.734 0.121 -14.773 217 2HD2 LEU 27 1HD2 LEU 27 -1.722 0.782 -16.097 218 3HD2 LEU 27 2HD2 LEU 27 -0.439 -0.399 -16.450 219 H ILE 28 H ILE 28 1.128 -1.234 -14.251 220 HA ILE 28 HA ILE 28 1.784 -2.798 -16.651 221 HB ILE 28 HB ILE 28 0.808 -4.198 -14.252 222 1HG1 ILE 28 1HG1 ILE 28 2.368 -2.332 -13.412 223 2HG1 ILE 28 2HG1 ILE 28 2.681 -3.977 -12.896 224 1HG2 ILE 28 2HG2 ILE 28 3.026 -4.653 -16.262 225 2HG2 ILE 28 3HG2 ILE 28 2.641 -5.753 -14.918 226 3HG2 ILE 28 1HG2 ILE 28 1.439 -5.453 -16.196 227 1HD1 ILE 28 2HD1 ILE 28 4.020 -3.148 -15.438 228 2HD1 ILE 28 3HD1 ILE 28 4.599 -2.361 -13.951 229 3HD1 ILE 28 1HD1 ILE 28 4.641 -4.136 -14.096 230 H LEU 29 H LEU 29 0.121 -3.638 -17.879 231 HA LEU 29 HA LEU 29 -2.584 -3.259 -16.824 232 1HB LEU 29 1HB LEU 29 -1.444 -1.574 -18.693 233 2HB LEU 29 2HB LEU 29 -2.327 -2.719 -19.684 234 HG LEU 29 HG LEU 29 -3.357 -0.738 -17.686 235 1HD1 LEU 29 2HD1 LEU 29 -3.215 -0.323 -20.183 236 2HD1 LEU 29 3HD1 LEU 29 -4.494 -1.548 -20.366 237 3HD1 LEU 29 1HD1 LEU 29 -4.806 -0.067 -19.429 238 1HD2 LEU 29 3HD2 LEU 29 -4.478 -3.448 -18.171 239 2HD2 LEU 29 1HD2 LEU 29 -4.572 -2.400 -16.736 240 3HD2 LEU 29 2HD2 LEU 29 -5.623 -2.087 -18.137 241 H HIS 30 H HIS 30 -3.671 -5.146 -16.869 242 HA HIS 30 HA HIS 30 -4.398 -7.107 -17.557 243 1HB HIS 30 1HB HIS 30 -4.200 -5.976 -19.877 244 2HB HIS 30 2HB HIS 30 -2.751 -6.942 -20.079 245 HD1 HIS 30 HD1 HIS 30 -3.087 -9.614 -20.031 246 HD2 HIS 30 HD2 HIS 30 -6.593 -7.324 -20.283 247 HE1 HIS 30 HE1 HIS 30 -4.931 -11.210 -20.784 248 HE2 HIS 30 HE2 HIS 30 -7.071 -9.758 -20.869 249 H TYR 31 H TYR 31 -0.905 -6.578 -18.358 250 HA TYR 31 HA TYR 31 0.097 -8.221 -16.423 251 1HB TYR 31 1HB TYR 31 -1.269 -9.653 -18.508 252 2HB TYR 31 2HB TYR 31 0.433 -9.839 -18.884 253 HD1 TYR 31 HD1 TYR 31 -1.838 -11.845 -17.831 254 HD2 TYR 31 HD2 TYR 31 1.529 -9.894 -16.052 255 HE1 TYR 31 HE1 TYR 31 -1.657 -13.708 -16.110 256 HE2 TYR 31 HE2 TYR 31 1.696 -11.763 -14.336 257 HH TYR 31 HH TYR 31 0.805 -13.566 -13.552 258 H LYS 32 H LYS 32 0.234 -6.420 -19.334 259 HA LYS 32 HA LYS 32 3.117 -6.824 -19.581 260 1HB LYS 32 1HB LYS 32 1.156 -5.410 -21.414 261 2HB LYS 32 2HB LYS 32 2.870 -5.620 -21.719 262 1HG LYS 32 1HG LYS 32 2.189 -7.522 -22.809 263 2HG LYS 32 2HG LYS 32 2.190 -8.216 -21.200 264 1HD LYS 32 1HD LYS 32 -0.215 -7.734 -20.938 265 2HD LYS 32 2HD LYS 32 -0.248 -6.889 -22.474 266 1HE LYS 32 1HE LYS 32 0.886 -9.561 -22.823 267 2HE LYS 32 2HE LYS 32 -0.671 -9.669 -22.027 268 1HZ LYS 32 2HZ LYS 32 -1.037 -7.835 -23.984 269 2HZ LYS 32 3HZ LYS 32 -0.090 -8.957 -24.695 270 3HZ LYS 32 1HZ LYS 32 -1.516 -9.395 -24.030 271 H VAL 33 H VAL 33 4.158 -4.511 -20.353 272 HA VAL 33 HA VAL 33 3.385 -2.644 -18.219 273 HB VAL 33 HB VAL 33 6.119 -3.120 -19.420 274 1HG1 VAL 33 3HG1 VAL 33 5.707 -0.818 -18.570 275 2HG1 VAL 33 1HG1 VAL 33 5.310 -1.506 -16.977 276 3HG1 VAL 33 2HG1 VAL 33 6.951 -1.690 -17.642 277 1HG2 VAL 33 3HG2 VAL 33 4.942 -4.931 -17.868 278 2HG2 VAL 33 1HG2 VAL 33 6.667 -4.528 -17.695 279 3HG2 VAL 33 2HG2 VAL 33 5.471 -3.818 -16.584 280 H TYR 34 H TYR 34 2.836 -0.591 -18.820 281 HA TYR 34 HA TYR 34 3.371 0.115 -21.627 282 1HB TYR 34 1HB TYR 34 1.063 0.919 -19.751 283 2HB TYR 34 2HB TYR 34 1.154 1.284 -21.461 284 HD1 TYR 34 HD1 TYR 34 -0.090 -0.037 -22.906 285 HD2 TYR 34 HD2 TYR 34 1.248 -1.724 -19.208 286 HE1 TYR 34 HE1 TYR 34 -1.344 -2.188 -23.425 287 HE2 TYR 34 HE2 TYR 34 -0.011 -3.868 -19.740 288 HH TYR 34 HH TYR 34 -0.766 -5.032 -21.851 289 H ASP 35 H ASP 35 3.967 2.277 -22.078 290 HA ASP 35 HA ASP 35 5.188 3.560 -19.843 291 1HB ASP 35 1HB ASP 35 5.978 3.341 -22.380 292 2HB ASP 35 2HB ASP 35 4.986 4.766 -22.613 293 H LEU 36 H LEU 36 3.449 4.428 -18.560 294 HA LEU 36 HA LEU 36 1.172 5.628 -19.544 295 1HB LEU 36 1HB LEU 36 2.700 5.791 -16.974 296 2HB LEU 36 2HB LEU 36 1.345 6.870 -17.240 297 HG LEU 36 HG LEU 36 1.372 3.893 -16.906 298 1HD1 LEU 36 3HD1 LEU 36 0.448 6.186 -15.440 299 2HD1 LEU 36 1HD1 LEU 36 -0.922 5.107 -15.797 300 3HD1 LEU 36 2HD1 LEU 36 0.511 4.477 -14.948 301 1HD2 LEU 36 3HD2 LEU 36 -0.596 5.449 -18.567 302 2HD2 LEU 36 1HD2 LEU 36 0.188 3.887 -18.905 303 3HD2 LEU 36 2HD2 LEU 36 -1.093 3.992 -17.676 304 H THR 37 H THR 37 4.489 6.765 -19.474 305 HA THR 37 HA THR 37 4.004 9.528 -19.508 306 HB THR 37 HB THR 37 6.229 7.635 -20.318 307 HG1 THR 37 HG1 THR 37 7.156 9.282 -18.674 308 1HG2 THR 37 2HG2 THR 37 6.058 10.637 -20.871 309 2HG2 THR 37 3HG2 THR 37 7.610 9.799 -20.639 310 3HG2 THR 37 1HG2 THR 37 6.553 9.351 -22.000 311 H LYS 38 H LYS 38 3.085 7.125 -21.748 312 HA LYS 38 HA LYS 38 3.139 9.049 -23.950 313 1HB LYS 38 1HB LYS 38 3.344 6.131 -23.731 314 2HB LYS 38 2HB LYS 38 2.188 6.641 -24.946 315 1HG LYS 38 1HG LYS 38 5.017 7.776 -24.754 316 2HG LYS 38 2HG LYS 38 4.602 6.403 -25.762 317 1HD LYS 38 1HD LYS 38 2.824 7.881 -26.873 318 2HD LYS 38 2HD LYS 38 3.493 9.237 -25.989 319 1HE LYS 38 1HE LYS 38 4.939 9.490 -27.728 320 2HE LYS 38 2HE LYS 38 5.772 8.076 -27.114 321 1HZ LYS 38 2HZ LYS 38 3.505 7.363 -28.641 322 2HZ LYS 38 3HZ LYS 38 4.534 8.286 -29.512 323 3HZ LYS 38 1HZ LYS 38 5.061 6.903 -28.824 324 H PHE 39 H PHE 39 1.157 7.894 -21.421 325 HA PHE 39 HA PHE 39 -1.278 8.373 -22.961 326 1HB PHE 39 1HB PHE 39 -0.774 7.367 -20.095 327 2HB PHE 39 2HB PHE 39 -2.323 7.329 -20.918 328 HD1 PHE 39 HD1 PHE 39 -2.957 5.409 -22.059 329 HD2 PHE 39 HD2 PHE 39 1.160 6.040 -21.246 330 HE1 PHE 39 HE1 PHE 39 -2.432 3.117 -22.935 331 HE2 PHE 39 HE2 PHE 39 1.685 3.748 -22.121 332 HZ PHE 39 HZ PHE 39 -0.119 2.313 -22.955 333 H LEU 40 H LEU 40 0.903 9.848 -20.681 334 HA LEU 40 HA LEU 40 -0.715 11.363 -19.103 335 1HB LEU 40 1HB LEU 40 1.933 12.002 -20.397 336 2HB LEU 40 2HB LEU 40 1.173 13.048 -19.213 337 HG LEU 40 HG LEU 40 2.359 10.312 -18.843 338 1HD1 LEU 40 2HD1 LEU 40 3.105 12.986 -18.207 339 2HD1 LEU 40 3HD1 LEU 40 2.820 12.112 -16.681 340 3HD1 LEU 40 1HD1 LEU 40 3.978 11.470 -17.871 341 1HD2 LEU 40 3HD2 LEU 40 0.100 11.510 -17.281 342 2HD2 LEU 40 1HD2 LEU 40 0.395 9.821 -17.754 343 3HD2 LEU 40 2HD2 LEU 40 1.340 10.554 -16.436 344 H GLU 41 H GLU 41 -0.359 11.466 -22.578 345 HA GLU 41 HA GLU 41 -1.645 14.069 -22.625 346 1HB GLU 41 1HB GLU 41 -1.080 14.048 -25.060 347 2HB GLU 41 2HB GLU 41 0.335 13.897 -24.037 348 1HG GLU 41 1HG GLU 41 0.534 11.538 -24.466 349 2HG GLU 41 2HG GLU 41 -1.087 11.435 -25.123 350 H GLU 42 H GLU 42 -2.135 10.623 -23.188 351 HA GLU 42 HA GLU 42 -4.694 11.221 -24.435 352 1HB GLU 42 1HB GLU 42 -2.729 9.356 -25.101 353 2HB GLU 42 2HB GLU 42 -3.904 8.379 -24.245 354 1HG GLU 42 1HG GLU 42 -5.131 8.329 -26.152 355 2HG GLU 42 2HG GLU 42 -5.486 10.026 -25.894 356 H HIS 43 H HIS 43 -5.801 11.861 -22.489 357 HA HIS 43 HA HIS 43 -7.126 9.827 -21.193 358 1HB HIS 43 1HB HIS 43 -4.638 9.763 -20.210 359 2HB HIS 43 2HB HIS 43 -5.280 11.021 -19.173 360 HD1 HIS 43 HD1 HIS 43 -7.394 10.345 -17.649 361 HD2 HIS 43 HD2 HIS 43 -5.422 7.178 -19.566 362 HE1 HIS 43 HE1 HIS 43 -8.158 8.213 -16.475 363 HE2 HIS 43 HE2 HIS 43 -6.957 6.296 -17.733 364 HA PRO 44 HA PRO 44 -9.377 13.455 -20.428 365 1HB PRO 44 1HB PRO 44 -11.525 12.368 -19.135 366 2HB PRO 44 2HB PRO 44 -11.368 12.391 -20.880 367 1HG PRO 44 1HG PRO 44 -11.015 10.123 -19.017 368 2HG PRO 44 2HG PRO 44 -11.282 10.090 -20.749 369 1HD PRO 44 1HD PRO 44 -8.793 9.662 -19.388 370 2HD PRO 44 2HD PRO 44 -9.039 9.744 -21.121 371 H GLY 45 H GLY 45 -9.167 11.235 -17.692 372 1HA GLY 45 2HA GLY 45 -8.611 11.623 -15.548 373 2HA GLY 45 1HA GLY 45 -9.650 13.029 -15.665 374 H GLY 46 H GLY 46 -6.545 12.324 -17.395 375 1HA GLY 46 2HA GLY 46 -5.293 14.545 -15.912 376 2HA GLY 46 1HA GLY 46 -5.288 14.530 -17.664 377 H GLU 47 H GLU 47 -2.935 14.460 -15.931 378 HA GLU 47 HA GLU 47 -1.748 12.121 -17.078 379 1HB GLU 47 1HB GLU 47 -0.544 14.387 -15.428 380 2HB GLU 47 2HB GLU 47 0.384 13.123 -16.211 381 1HG GLU 47 1HG GLU 47 0.447 14.471 -18.040 382 2HG GLU 47 2HG GLU 47 -1.236 14.056 -18.288 383 H GLU 48 H GLU 48 -2.272 13.547 -13.788 384 HA GLU 48 HA GLU 48 -0.987 11.690 -12.310 385 1HB GLU 48 1HB GLU 48 -2.730 13.820 -11.829 386 2HB GLU 48 2HB GLU 48 -3.588 12.455 -11.145 387 1HG GLU 48 1HG GLU 48 -1.954 12.044 -9.530 388 2HG GLU 48 2HG GLU 48 -0.652 12.656 -10.530 389 H VAL 49 H VAL 49 -4.379 11.548 -13.574 390 HA VAL 49 HA VAL 49 -5.348 9.350 -12.409 391 HB VAL 49 HB VAL 49 -6.436 10.760 -14.126 392 1HG1 VAL 49 1HG1 VAL 49 -4.297 10.264 -15.709 393 2HG1 VAL 49 2HG1 VAL 49 -5.442 9.063 -16.353 394 3HG1 VAL 49 3HG1 VAL 49 -5.882 10.788 -16.326 395 1HG2 VAL 49 1HG2 VAL 49 -7.118 8.320 -13.391 396 2HG2 VAL 49 2HG2 VAL 49 -7.973 9.144 -14.717 397 3HG2 VAL 49 3HG2 VAL 49 -6.724 7.930 -15.083 398 H LEU 50 H LEU 50 -2.631 9.510 -14.685 399 HA LEU 50 HA LEU 50 -2.531 6.586 -14.720 400 1HB LEU 50 1HB LEU 50 -1.097 8.634 -16.416 401 2HB LEU 50 2HB LEU 50 -0.918 6.897 -16.554 402 HG LEU 50 HG LEU 50 -3.716 7.654 -16.725 403 1HD1 LEU 50 3HD1 LEU 50 -1.757 9.206 -18.363 404 2HD1 LEU 50 1HD1 LEU 50 -3.264 8.652 -19.133 405 3HD1 LEU 50 2HD1 LEU 50 -3.331 9.691 -17.688 406 1HD2 LEU 50 3HD2 LEU 50 -2.296 5.560 -17.517 407 2HD2 LEU 50 1HD2 LEU 50 -3.779 6.064 -18.360 408 3HD2 LEU 50 2HD2 LEU 50 -2.187 6.510 -19.019 409 H ARG 51 H ARG 51 -0.843 9.558 -13.688 410 HA ARG 51 HA ARG 51 1.550 8.313 -13.040 411 1HB ARG 51 1HB ARG 51 0.821 10.880 -13.189 412 2HB ARG 51 2HB ARG 51 0.506 10.691 -11.475 413 1HG ARG 51 1HG ARG 51 3.060 9.481 -11.996 414 2HG ARG 51 2HG ARG 51 3.052 11.029 -12.818 415 1HD ARG 51 1HD ARG 51 1.892 11.686 -10.376 416 2HD ARG 51 2HD ARG 51 3.029 10.439 -9.903 417 HE ARG 51 HE ARG 51 4.346 12.248 -11.696 418 1HH1 ARG 51 2HH1 ARG 51 5.803 13.817 -10.896 419 2HH1 ARG 51 1HH1 ARG 51 5.743 14.285 -9.229 420 1HH2 ARG 51 2HH2 ARG 51 3.078 12.128 -8.416 421 2HH2 ARG 51 1HH2 ARG 51 4.181 13.317 -7.809 422 H GLU 52 H GLU 52 -1.495 8.935 -11.214 423 HA GLU 52 HA GLU 52 -0.521 8.171 -8.732 424 1HB GLU 52 1HB GLU 52 -2.861 8.070 -8.058 425 2HB GLU 52 2HB GLU 52 -2.643 9.435 -9.134 426 1HG GLU 52 1HG GLU 52 -3.475 8.051 -11.051 427 2HG GLU 52 2HG GLU 52 -3.706 6.694 -9.966 428 H GLN 53 H GLN 53 -1.116 6.340 -11.587 429 HA GLN 53 HA GLN 53 -1.392 3.912 -10.002 430 1HB GLN 53 1HB GLN 53 -2.131 2.860 -12.171 431 2HB GLN 53 2HB GLN 53 -3.189 4.138 -11.606 432 1HG GLN 53 1HG GLN 53 -2.029 5.758 -13.140 433 2HG GLN 53 2HG GLN 53 -1.005 4.460 -13.720 434 1HE2 GLN 53 1HE2 GLN 53 -4.128 5.921 -13.770 435 2HE2 GLN 53 2HE2 GLN 53 -4.856 4.954 -15.010 436 H ALA 54 H ALA 54 0.735 5.803 -12.015 437 HA ALA 54 HA ALA 54 2.321 3.736 -13.062 438 1HB ALA 54 1HB ALA 54 2.134 6.333 -13.563 439 2HB ALA 54 3HB ALA 54 3.668 5.467 -13.822 440 3HB ALA 54 2HB ALA 54 3.435 6.440 -12.352 441 H GLY 55 H GLY 55 3.913 2.487 -12.169 442 1HA GLY 55 2HA GLY 55 4.706 3.151 -9.395 443 2HA GLY 55 1HA GLY 55 5.819 2.534 -10.599 444 H GLY 56 H GLY 56 3.339 0.865 -11.663 445 1HA GLY 56 2HA GLY 56 2.952 -1.054 -9.529 446 2HA GLY 56 1HA GLY 56 3.993 -1.604 -10.828 447 H ASP 57 H ASP 57 1.775 -3.081 -10.563 448 HA ASP 57 HA ASP 57 0.535 -2.802 -13.011 449 1HB ASP 57 1HB ASP 57 0.243 -4.965 -12.331 450 2HB ASP 57 2HB ASP 57 0.338 -4.534 -10.635 451 H ALA 58 H ALA 58 -1.402 -1.747 -13.625 452 HA ALA 58 HA ALA 58 -2.857 -0.400 -11.451 453 1HB ALA 58 3HB ALA 58 -1.491 1.033 -13.065 454 2HB ALA 58 1HB ALA 58 -2.626 0.521 -14.336 455 3HB ALA 58 2HB ALA 58 -3.219 1.442 -12.933 456 H THR 59 H THR 59 -2.899 -2.776 -13.946 457 HA THR 59 HA THR 59 -5.428 -2.610 -14.997 458 HB THR 59 HB THR 59 -3.331 -4.289 -15.258 459 HG1 THR 59 HG1 THR 59 -5.658 -3.953 -16.307 460 1HG2 THR 59 1HG2 THR 59 -4.130 -5.358 -12.940 461 2HG2 THR 59 2HG2 THR 59 -5.377 -6.112 -13.962 462 3HG2 THR 59 3HG2 THR 59 -3.655 -6.418 -14.290 463 H GLU 60 H GLU 60 -4.422 -3.796 -11.767 464 HA GLU 60 HA GLU 60 -6.759 -5.006 -11.060 465 1HB GLU 60 1HB GLU 60 -6.054 -4.614 -8.729 466 2HB GLU 60 2HB GLU 60 -4.684 -5.077 -9.718 467 1HG GLU 60 1HG GLU 60 -3.639 -3.214 -8.942 468 2HG GLU 60 2HG GLU 60 -4.710 -2.291 -9.978 469 H ASN 61 H ASN 61 -5.951 -1.545 -11.289 470 HA ASN 61 HA ASN 61 -8.464 -0.875 -10.031 471 1HB ASN 61 1HB ASN 61 -5.934 0.350 -10.061 472 2HB ASN 61 2HB ASN 61 -6.852 1.338 -11.179 473 1HD2 ASN 61 1HD2 ASN 61 -5.933 1.088 -8.093 474 2HD2 ASN 61 2HD2 ASN 61 -7.226 1.886 -7.261 475 H PHE 62 H PHE 62 -6.570 -0.450 -13.101 476 HA PHE 62 HA PHE 62 -8.414 1.034 -14.511 477 1HB PHE 62 1HB PHE 62 -6.470 0.797 -15.765 478 2HB PHE 62 2HB PHE 62 -6.038 -0.676 -14.920 479 HD1 PHE 62 HD1 PHE 62 -7.036 0.683 -18.008 480 HD2 PHE 62 HD2 PHE 62 -7.371 -2.820 -15.637 481 HE1 PHE 62 HE1 PHE 62 -7.579 -0.654 -20.062 482 HE2 PHE 62 HE2 PHE 62 -7.913 -4.157 -17.691 483 HZ PHE 62 HZ PHE 62 -8.011 -3.058 -19.879 484 H GLU 63 H GLU 63 -8.620 -2.255 -13.410 485 HA GLU 63 HA GLU 63 -10.336 -3.095 -15.524 486 1HB GLU 63 1HB GLU 63 -9.138 -4.298 -13.068 487 2HB GLU 63 2HB GLU 63 -10.680 -4.975 -13.559 488 1HG GLU 63 1HG GLU 63 -8.608 -4.550 -15.704 489 2HG GLU 63 2HG GLU 63 -8.336 -5.858 -14.570 490 H ASP 64 H ASP 64 -10.619 -1.680 -12.272 491 HA ASP 64 HA ASP 64 -13.339 -2.326 -11.969 492 1HB ASP 64 1HB ASP 64 -11.328 -1.319 -10.346 493 2HB ASP 64 2HB ASP 64 -12.307 0.111 -10.601 494 H VAL 65 H VAL 65 -11.465 0.678 -12.826 495 HA VAL 65 HA VAL 65 -13.621 2.367 -13.193 496 HB VAL 65 HB VAL 65 -11.695 3.526 -13.170 497 1HG1 VAL 65 1HG1 VAL 65 -10.498 1.083 -14.430 498 2HG1 VAL 65 2HG1 VAL 65 -9.624 2.629 -14.554 499 3HG1 VAL 65 3HG1 VAL 65 -10.025 1.959 -12.954 500 1HG2 VAL 65 2HG2 VAL 65 -12.833 4.107 -15.305 501 2HG2 VAL 65 3HG2 VAL 65 -11.075 4.381 -15.353 502 3HG2 VAL 65 1HG2 VAL 65 -11.775 2.951 -16.150 503 H GLY 66 H GLY 66 -12.736 -0.464 -14.937 504 1HA GLY 66 2HA GLY 66 -14.920 -0.488 -16.597 505 2HA GLY 66 1HA GLY 66 -13.431 -1.366 -16.876 506 H HIS 67 H HIS 67 -11.686 -0.347 -18.138 507 HA HIS 67 HA HIS 67 -12.250 2.145 -19.412 508 1HB HIS 67 1HB HIS 67 -10.017 0.122 -19.594 509 2HB HIS 67 2HB HIS 67 -10.108 1.483 -20.695 510 HD1 HIS 67 HD1 HIS 67 -9.169 0.559 -17.220 511 HD2 HIS 67 HD2 HIS 67 -9.801 4.070 -19.428 512 HE1 HIS 67 HE1 HIS 67 -8.156 2.458 -15.850 513 HE2 HIS 67 HE2 HIS 67 -8.526 4.581 -17.282 514 H SER 68 H SER 68 -11.684 2.054 -22.002 515 HA SER 68 HA SER 68 -13.712 0.234 -23.007 516 1HB SER 68 1HB SER 68 -14.160 1.799 -24.704 517 2HB SER 68 2HB SER 68 -13.796 2.819 -23.327 518 HG SER 68 HG SER 68 -12.158 3.648 -24.415 519 H THR 69 H THR 69 -13.311 -0.824 -25.154 520 HA THR 69 HA THR 69 -10.886 -2.167 -25.220 521 HB THR 69 HB THR 69 -13.171 -1.695 -27.177 522 HG1 THR 69 HG1 THR 69 -11.976 -4.003 -25.815 523 1HG2 THR 69 3HG2 THR 69 -10.489 -2.746 -27.793 524 2HG2 THR 69 1HG2 THR 69 -11.743 -3.996 -27.982 525 3HG2 THR 69 2HG2 THR 69 -11.862 -2.469 -28.891 526 H ASP 70 H ASP 70 -11.727 1.029 -26.396 527 HA ASP 70 HA ASP 70 -9.666 1.150 -28.302 528 1HB ASP 70 1HB ASP 70 -11.681 2.646 -28.265 529 2HB ASP 70 2HB ASP 70 -11.098 3.384 -26.788 530 H ALA 71 H ALA 71 -10.131 2.294 -24.885 531 HA ALA 71 HA ALA 71 -7.714 3.605 -24.578 532 1HB ALA 71 1HB ALA 71 -8.121 3.140 -22.130 533 2HB ALA 71 2HB ALA 71 -9.519 3.836 -22.985 534 3HB ALA 71 3HB ALA 71 -9.479 2.097 -22.612 535 H ARG 72 H ARG 72 -8.596 0.137 -24.011 536 HA ARG 72 HA ARG 72 -6.113 -0.588 -23.054 537 1HB ARG 72 1HB ARG 72 -8.011 -2.366 -24.662 538 2HB ARG 72 2HB ARG 72 -6.845 -2.895 -23.464 539 1HG ARG 72 1HG ARG 72 -8.092 -1.657 -21.690 540 2HG ARG 72 2HG ARG 72 -9.244 -1.093 -22.883 541 1HD ARG 72 1HD ARG 72 -9.223 -3.869 -23.296 542 2HD ARG 72 2HD ARG 72 -9.062 -3.729 -21.557 543 HE ARG 72 HE ARG 72 -11.129 -1.964 -22.624 544 1HH1 ARG 72 2HH1 ARG 72 -13.309 -2.429 -22.121 545 2HH1 ARG 72 1HH1 ARG 72 -13.741 -3.987 -21.499 546 1HH2 ARG 72 2HH2 ARG 72 -10.453 -5.248 -21.558 547 2HH2 ARG 72 1HH2 ARG 72 -12.105 -5.602 -21.177 548 H GLU 73 H GLU 73 -7.478 -0.396 -26.378 549 HA GLU 73 HA GLU 73 -5.396 -1.734 -27.638 550 1HB GLU 73 1HB GLU 73 -7.819 -0.442 -28.376 551 2HB GLU 73 2HB GLU 73 -6.568 0.337 -29.322 552 1HG GLU 73 1HG GLU 73 -6.052 -1.594 -30.503 553 2HG GLU 73 2HG GLU 73 -6.405 -2.651 -29.150 554 H LEU 74 H LEU 74 -5.988 1.778 -26.984 555 HA LEU 74 HA LEU 74 -3.796 2.772 -28.342 556 1HB LEU 74 1HB LEU 74 -4.528 4.712 -27.572 557 2HB LEU 74 2HB LEU 74 -5.864 3.794 -26.907 558 HG LEU 74 HG LEU 74 -4.015 3.577 -24.894 559 1HD1 LEU 74 3HD1 LEU 74 -3.173 5.795 -26.548 560 2HD1 LEU 74 1HD1 LEU 74 -3.638 6.354 -24.923 561 3HD1 LEU 74 2HD1 LEU 74 -2.402 5.087 -25.108 562 1HD2 LEU 74 2HD2 LEU 74 -6.498 4.987 -25.401 563 2HD2 LEU 74 3HD2 LEU 74 -5.914 4.194 -23.919 564 3HD2 LEU 74 1HD2 LEU 74 -5.462 5.880 -24.263 565 H SER 75 H SER 75 -4.082 1.325 -25.070 566 HA SER 75 HA SER 75 -1.551 2.053 -24.214 567 1HB SER 75 1HB SER 75 -3.752 0.505 -23.253 568 2HB SER 75 2HB SER 75 -2.341 -0.528 -23.140 569 HG SER 75 HG SER 75 -1.262 1.103 -21.899 570 H LYS 76 H LYS 76 -2.776 -0.669 -26.194 571 HA LYS 76 HA LYS 76 -0.479 -2.262 -26.066 572 1HB LYS 76 1HB LYS 76 -1.683 -3.644 -27.352 573 2HB LYS 76 2HB LYS 76 -2.999 -2.513 -27.099 574 1HG LYS 76 1HG LYS 76 -2.175 -1.241 -29.169 575 2HG LYS 76 2HG LYS 76 -1.065 -2.566 -29.459 576 1HD LYS 76 1HD LYS 76 -3.183 -4.106 -29.306 577 2HD LYS 76 2HD LYS 76 -4.104 -2.628 -29.497 578 1HE LYS 76 1HE LYS 76 -2.720 -2.145 -31.600 579 2HE LYS 76 2HE LYS 76 -2.032 -3.748 -31.440 580 1HZ LYS 76 1HZ LYS 76 -4.321 -4.606 -31.489 581 2HZ LYS 76 2HZ LYS 76 -4.873 -3.102 -31.800 582 3HZ LYS 76 3HZ LYS 76 -3.892 -3.848 -32.872 583 H THR 77 H THR 77 -1.186 0.762 -27.684 584 HA THR 77 HA THR 77 1.007 0.413 -29.565 585 HB THR 77 HB THR 77 0.047 2.279 -30.651 586 HG1 THR 77 HG1 THR 77 -1.305 3.754 -29.217 587 1HG2 THR 77 1HG2 THR 77 -1.754 0.411 -30.180 588 2HG2 THR 77 2HG2 THR 77 -2.388 1.555 -28.973 589 3HG2 THR 77 3HG2 THR 77 -2.324 2.019 -30.690 590 H PHE 78 H PHE 78 0.493 1.504 -26.329 591 HA PHE 78 HA PHE 78 2.930 3.123 -26.484 592 1HB PHE 78 1HB PHE 78 0.554 2.856 -24.561 593 2HB PHE 78 2HB PHE 78 2.001 3.718 -24.078 594 HD1 PHE 78 HD1 PHE 78 1.872 4.343 -27.436 595 HD2 PHE 78 HD2 PHE 78 -0.246 5.302 -23.886 596 HE1 PHE 78 HE1 PHE 78 0.994 6.426 -28.522 597 HE2 PHE 78 HE2 PHE 78 -1.123 7.386 -24.972 598 HZ PHE 78 HZ PHE 78 -0.492 7.925 -27.278 599 H ILE 79 H ILE 79 1.986 -0.024 -25.896 600 HA ILE 79 HA ILE 79 3.149 -0.636 -23.451 601 HB ILE 79 HB ILE 79 2.352 -2.095 -25.903 602 1HG1 ILE 79 1HG1 ILE 79 1.716 -2.148 -22.963 603 2HG1 ILE 79 2HG1 ILE 79 0.647 -1.873 -24.324 604 1HG2 ILE 79 2HG2 ILE 79 4.191 -3.312 -23.824 605 2HG2 ILE 79 3HG2 ILE 79 3.284 -4.219 -25.058 606 3HG2 ILE 79 1HG2 ILE 79 4.544 -3.063 -25.550 607 1HD1 ILE 79 3HD1 ILE 79 1.303 -4.328 -25.030 608 2HD1 ILE 79 1HD1 ILE 79 1.814 -4.483 -23.332 609 3HD1 ILE 79 2HD1 ILE 79 0.123 -4.085 -23.720 610 H ILE 80 H ILE 80 5.226 -0.948 -22.747 611 HA ILE 80 HA ILE 80 7.302 -0.497 -24.772 612 HB ILE 80 HB ILE 80 8.613 0.018 -22.543 613 1HG1 ILE 80 1HG1 ILE 80 7.031 1.295 -20.996 614 2HG1 ILE 80 2HG1 ILE 80 5.718 0.429 -21.771 615 1HG2 ILE 80 3HG2 ILE 80 6.714 1.873 -23.994 616 2HG2 ILE 80 1HG2 ILE 80 7.929 2.424 -22.816 617 3HG2 ILE 80 2HG2 ILE 80 8.445 1.604 -24.309 618 1HD1 ILE 80 3HD1 ILE 80 7.738 -1.510 -21.136 619 2HD1 ILE 80 1HD1 ILE 80 7.488 -0.497 -19.695 620 3HD1 ILE 80 2HD1 ILE 80 6.112 -1.350 -20.432 621 H GLY 81 H GLY 81 6.005 -2.654 -22.288 622 1HA GLY 81 2HA GLY 81 8.191 -4.253 -21.739 623 2HA GLY 81 1HA GLY 81 7.544 -4.840 -23.257 624 H GLU 82 H GLU 82 7.576 -6.134 -20.549 625 HA GLU 82 HA GLU 82 4.817 -6.057 -19.769 626 1HB GLU 82 1HB GLU 82 5.882 -8.791 -20.471 627 2HB GLU 82 2HB GLU 82 4.220 -8.248 -20.358 628 1HG GLU 82 1HG GLU 82 4.573 -6.833 -22.419 629 2HG GLU 82 2HG GLU 82 6.205 -7.463 -22.546 630 H LEU 83 H LEU 83 4.440 -7.441 -17.771 631 HA LEU 83 HA LEU 83 6.673 -7.118 -16.025 632 1HB LEU 83 1HB LEU 83 4.337 -6.651 -15.395 633 2HB LEU 83 2HB LEU 83 3.956 -8.354 -15.558 634 HG LEU 83 HG LEU 83 4.648 -8.798 -13.493 635 1HD1 LEU 83 1HD1 LEU 83 7.166 -7.316 -14.252 636 2HD1 LEU 83 2HD1 LEU 83 6.912 -8.002 -12.628 637 3HD1 LEU 83 3HD1 LEU 83 6.914 -9.067 -14.054 638 1HD2 LEU 83 3HD2 LEU 83 3.978 -6.083 -13.543 639 2HD2 LEU 83 1HD2 LEU 83 4.031 -7.160 -12.127 640 3HD2 LEU 83 2HD2 LEU 83 5.453 -6.179 -12.552 641 H HIS 84 H HIS 84 8.304 -8.532 -15.735 642 HA HIS 84 HA HIS 84 8.245 -11.045 -16.993 643 1HB HIS 84 1HB HIS 84 10.165 -9.324 -15.893 644 2HB HIS 84 2HB HIS 84 10.268 -10.779 -14.918 645 HD1 HIS 84 HD1 HIS 84 9.320 -11.101 -18.547 646 HD2 HIS 84 HD2 HIS 84 12.731 -11.479 -16.135 647 HE1 HIS 84 HE1 HIS 84 11.091 -12.242 -19.987 648 HE2 HIS 84 HE2 HIS 84 13.181 -12.397 -18.469 649 HA PRO 85 HA PRO 85 7.053 -13.690 -13.754 650 1HB PRO 85 1HB PRO 85 9.053 -15.495 -13.296 651 2HB PRO 85 2HB PRO 85 7.961 -15.600 -14.663 652 1HG PRO 85 1HG PRO 85 10.787 -14.735 -14.609 653 2HG PRO 85 2HG PRO 85 9.822 -15.248 -15.979 654 1HD PRO 85 1HD PRO 85 10.538 -12.555 -15.296 655 2HD PRO 85 2HD PRO 85 9.477 -13.060 -16.597 656 H ASP 86 H ASP 86 8.939 -11.305 -13.050 657 HA ASP 86 HA ASP 86 9.866 -12.156 -10.509 658 1HB ASP 86 1HB ASP 86 11.215 -10.418 -11.149 659 2HB ASP 86 2HB ASP 86 9.997 -9.744 -12.214 660 H ASP 87 H ASP 87 6.965 -10.722 -11.928 661 HA ASP 87 HA ASP 87 5.643 -10.898 -9.424 662 1HB ASP 87 1HB ASP 87 6.474 -8.265 -10.570 663 2HB ASP 87 2HB ASP 87 4.799 -8.354 -10.062 664 H ARG 88 H ARG 88 4.834 -12.494 -11.256 665 HA ARG 88 HA ARG 88 3.210 -11.178 -13.222 666 1HB ARG 88 1HB ARG 88 3.767 -14.132 -12.651 667 2HB ARG 88 2HB ARG 88 2.746 -13.581 -13.964 668 1HG ARG 88 1HG ARG 88 5.596 -12.560 -13.658 669 2HG ARG 88 2HG ARG 88 5.259 -14.067 -14.484 670 1HD ARG 88 1HD ARG 88 4.145 -11.319 -15.229 671 2HD ARG 88 2HD ARG 88 5.368 -12.212 -16.113 672 HE ARG 88 HE ARG 88 3.097 -13.908 -15.877 673 1HH1 ARG 88 2HH1 ARG 88 1.608 -14.158 -17.592 674 2HH1 ARG 88 1HH1 ARG 88 1.492 -12.945 -18.823 675 1HH2 ARG 88 2HH2 ARG 88 3.981 -10.877 -17.430 676 2HH2 ARG 88 1HH2 ARG 88 2.851 -11.066 -18.730 677 H SER 89 H SER 89 2.597 -14.044 -11.058 678 HA SER 89 HA SER 89 -0.155 -13.579 -11.046 679 1HB SER 89 1HB SER 89 0.526 -15.811 -10.650 680 2HB SER 89 2HB SER 89 1.725 -15.343 -9.460 681 HG SER 89 HG SER 89 0.237 -15.731 -7.982 682 H LYS 90 H LYS 90 2.322 -11.822 -9.616 683 HA LYS 90 HA LYS 90 1.035 -11.329 -7.091 684 1HB LYS 90 1HB LYS 90 3.620 -10.782 -8.348 685 2HB LYS 90 2HB LYS 90 3.005 -9.398 -7.467 686 1HG LYS 90 1HG LYS 90 4.006 -10.495 -5.696 687 2HG LYS 90 2HG LYS 90 2.441 -11.278 -5.618 688 1HD LYS 90 1HD LYS 90 3.410 -13.069 -7.217 689 2HD LYS 90 2HD LYS 90 4.980 -12.352 -6.920 690 1HE LYS 90 1HE LYS 90 5.145 -13.593 -5.029 691 2HE LYS 90 2HE LYS 90 3.821 -12.672 -4.344 692 1HZ LYS 90 2HZ LYS 90 3.379 -14.971 -6.109 693 2HZ LYS 90 3HZ LYS 90 3.488 -15.115 -4.486 694 3HZ LYS 90 1HZ LYS 90 2.288 -14.228 -5.149 695 H ILE 91 H ILE 91 0.754 -10.238 -10.363 696 HA ILE 91 HA ILE 91 -0.898 -8.016 -9.402 697 HB ILE 91 HB ILE 91 0.012 -6.485 -10.813 698 1HG1 ILE 91 1HG1 ILE 91 1.072 -8.752 -12.524 699 2HG1 ILE 91 2HG1 ILE 91 -0.292 -7.713 -12.886 700 1HG2 ILE 91 1HG2 ILE 91 1.725 -7.659 -9.136 701 2HG2 ILE 91 2HG2 ILE 91 2.577 -7.990 -10.664 702 3HG2 ILE 91 3HG2 ILE 91 2.194 -6.314 -10.204 703 1HD1 ILE 91 1HD1 ILE 91 2.093 -6.127 -12.264 704 2HD1 ILE 91 2HD1 ILE 91 2.392 -7.260 -13.602 705 3HD1 ILE 91 3HD1 ILE 91 1.059 -6.086 -13.710 706 H THR 92 H THR 92 -0.216 -10.649 -11.679 707 HA THR 92 HA THR 92 -1.838 -10.464 -13.715 708 HB THR 92 HB THR 92 -0.616 -12.526 -12.644 709 HG1 THR 92 HG1 THR 92 -2.019 -13.803 -14.045 710 1HG2 THR 92 2HG2 THR 92 -2.164 -12.649 -10.618 711 2HG2 THR 92 3HG2 THR 92 -3.495 -13.035 -11.735 712 3HG2 THR 92 1HG2 THR 92 -2.115 -14.147 -11.575 713 H LYS 93 H LYS 93 -3.093 -10.928 -10.362 714 HA LYS 93 HA LYS 93 -5.703 -11.271 -10.783 715 1HB LYS 93 1HB LYS 93 -4.070 -10.338 -8.676 716 2HB LYS 93 2HB LYS 93 -5.379 -9.180 -8.810 717 1HG LYS 93 1HG LYS 93 -7.033 -11.080 -8.779 718 2HG LYS 93 2HG LYS 93 -5.706 -12.210 -8.581 719 1HD LYS 93 1HD LYS 93 -5.061 -11.106 -6.444 720 2HD LYS 93 2HD LYS 93 -6.345 -9.931 -6.647 721 1HE LYS 93 1HE LYS 93 -7.769 -12.279 -6.906 722 2HE LYS 93 2HE LYS 93 -6.507 -12.791 -5.803 723 1HZ LYS 93 1HZ LYS 93 -8.195 -10.417 -5.408 724 2HZ LYS 93 2HZ LYS 93 -8.421 -11.858 -4.673 725 3HZ LYS 93 3HZ LYS 93 -7.077 -10.984 -4.362 726 HA PRO 94 HA PRO 94 -6.842 -7.891 -13.287 727 1HB PRO 94 1HB PRO 94 -9.417 -8.669 -13.770 728 2HB PRO 94 2HB PRO 94 -8.051 -9.240 -14.708 729 1HG PRO 94 1HG PRO 94 -9.607 -10.668 -12.640 730 2HG PRO 94 2HG PRO 94 -8.544 -11.330 -13.866 731 1HD PRO 94 1HD PRO 94 -7.955 -11.005 -11.077 732 2HD PRO 94 2HD PRO 94 -6.854 -11.557 -12.324 733 H SER 95 H SER 95 -8.848 -8.972 -10.623 734 HA SER 95 HA SER 95 -8.801 -6.589 -9.340 735 1HB SER 95 1HB SER 95 -10.378 -6.281 -11.639 736 2HB SER 95 2HB SER 95 -11.559 -6.553 -10.374 737 HG SER 95 HG SER 95 -10.242 -4.278 -10.915 738 H GLU 96 H GLU 96 -10.563 -6.492 -7.562 739 HA GLU 96 HA GLU 96 -11.623 -9.178 -7.149 740 1HB GLU 96 1HB GLU 96 -11.143 -8.928 -4.731 741 2HB GLU 96 2HB GLU 96 -9.676 -8.825 -5.684 742 1HG GLU 96 1HG GLU 96 -10.207 -6.205 -5.652 743 2HG GLU 96 2HG GLU 96 -11.158 -6.621 -4.240 744 H SER 97 H SER 97 -13.097 -8.701 -4.802 745 HA SER 97 HA SER 97 -15.053 -6.820 -5.849 746 1HB SER 97 1HB SER 97 -15.205 -9.425 -4.426 747 2HB SER 97 2HB SER 97 -16.346 -8.227 -3.849 748 HG SER 97 HG SER 97 -16.949 -7.915 -6.175 749 H ILE 98 H ILE 98 -16.378 -5.633 -4.089 750 HA ILE 98 HA ILE 98 -14.800 -5.164 -1.679 751 HB ILE 98 HB ILE 98 -14.345 -3.522 -3.659 752 1HG1 ILE 98 1HG1 ILE 98 -14.882 -1.917 -1.262 753 2HG1 ILE 98 2HG1 ILE 98 -14.058 -3.422 -0.906 754 1HG2 ILE 98 1HG2 ILE 98 -16.838 -3.136 -3.983 755 2HG2 ILE 98 2HG2 ILE 98 -16.781 -2.172 -2.486 756 3HG2 ILE 98 3HG2 ILE 98 -15.807 -1.688 -3.896 757 1HD1 ILE 98 3HD1 ILE 98 -12.543 -2.753 -2.988 758 2HD1 ILE 98 1HD1 ILE 98 -13.148 -1.118 -2.632 759 3HD1 ILE 98 2HD1 ILE 98 -12.247 -2.024 -1.393 760 H ILE 99 H ILE 99 -16.205 -3.550 -0.213 761 HA ILE 99 HA ILE 99 -19.029 -4.219 -0.545 762 HB ILE 99 HB ILE 99 -17.691 -5.833 0.982 763 1HG1 ILE 99 1HG1 ILE 99 -20.052 -6.008 0.800 764 2HG1 ILE 99 2HG1 ILE 99 -19.674 -5.998 2.511 765 1HG2 ILE 99 3HG2 ILE 99 -16.534 -4.030 2.236 766 2HG2 ILE 99 1HG2 ILE 99 -18.103 -3.540 2.919 767 3HG2 ILE 99 2HG2 ILE 99 -17.439 -5.153 3.279 768 1HD1 ILE 99 1HD1 ILE 99 -20.106 -3.459 2.470 769 2HD1 ILE 99 2HD1 ILE 99 -20.776 -3.705 0.839 770 3HD1 ILE 99 3HD1 ILE 99 -21.530 -4.501 2.242 771 H THR 100 H THR 100 -20.024 -2.286 -0.710 772 HA THR 100 HA THR 100 -18.838 0.000 0.655 773 HB THR 100 HB THR 100 -19.483 0.074 -1.788 774 HG1 THR 100 HG1 THR 100 -21.131 1.616 0.091 775 1HG2 THR 100 2HG2 THR 100 -21.916 -1.102 -0.808 776 2HG2 THR 100 3HG2 THR 100 -22.311 0.552 -1.333 777 3HG2 THR 100 1HG2 THR 100 -21.558 -0.588 -2.474 778 H THR 101 H THR 101 -20.098 1.448 1.986 779 HA THR 101 HA THR 101 -22.265 0.001 3.364 780 HB THR 101 HB THR 101 -20.033 0.349 4.601 781 HG1 THR 101 HG1 THR 101 -21.311 1.033 6.467 782 1HG2 THR 101 3HG2 THR 101 -19.749 2.771 3.692 783 2HG2 THR 101 1HG2 THR 101 -21.048 3.220 4.824 784 3HG2 THR 101 2HG2 THR 101 -19.520 2.551 5.444 785 H ILE 102 H ILE 102 -23.804 1.540 4.550 786 HA ILE 102 HA ILE 102 -24.423 3.703 2.668 787 HB ILE 102 HB ILE 102 -25.951 1.590 3.237 788 1HG1 ILE 102 1HG1 ILE 102 -27.698 3.876 2.992 789 2HG1 ILE 102 2HG1 ILE 102 -26.268 4.115 2.005 790 1HG2 ILE 102 3HG2 ILE 102 -25.930 2.607 5.704 791 2HG2 ILE 102 1HG2 ILE 102 -27.290 3.542 5.041 792 3HG2 ILE 102 2HG2 ILE 102 -27.343 1.763 5.023 793 1HD1 ILE 102 3HD1 ILE 102 -26.741 1.534 1.363 794 2HD1 ILE 102 1HD1 ILE 102 -28.401 2.013 1.794 795 3HD1 ILE 102 2HD1 ILE 102 -27.530 2.881 0.508 796 H ASP 103 H ASP 103 -25.244 5.731 3.555 797 HA ASP 103 HA ASP 103 -24.546 6.073 6.355 798 1HB ASP 103 1HB ASP 103 -23.684 8.412 5.629 799 2HB ASP 103 2HB ASP 103 -22.648 7.035 5.314 800 H SER 104 H SER 104 -25.352 8.545 6.943 801 HA SER 104 HA SER 104 -27.013 9.921 7.181 802 1HB SER 104 1HB SER 104 -26.680 10.485 4.798 803 2HB SER 104 2HB SER 104 -27.731 9.168 4.313 804 HG SER 104 HG SER 104 -28.673 11.431 4.449 No H/Q in entry = 804 Start of MODEL 29 1 H ALA 1 H ALA 1 33.502 7.483 -30.499 2 HA ALA 1 HA ALA 1 32.148 6.451 -32.071 3 1HB ALA 1 1HB ALA 1 33.838 5.943 -33.463 4 2HB ALA 1 3HB ALA 1 34.209 4.461 -32.552 5 3HB ALA 1 2HB ALA 1 34.938 6.010 -32.066 6 H GLU 2 H GLU 2 30.358 5.524 -30.921 7 HA GLU 2 HA GLU 2 30.029 2.851 -31.310 8 1HB GLU 2 1HB GLU 2 31.520 3.383 -28.881 9 2HB GLU 2 2HB GLU 2 29.963 2.704 -28.454 10 1HG GLU 2 1HG GLU 2 30.333 0.784 -29.958 11 2HG GLU 2 2HG GLU 2 31.826 1.488 -30.548 12 H GLU 3 H GLU 3 28.005 2.017 -29.913 13 HA GLU 3 HA GLU 3 26.409 3.784 -28.587 14 1HB GLU 3 1HB GLU 3 26.519 4.646 -31.200 15 2HB GLU 3 2HB GLU 3 25.113 3.603 -31.261 16 1HG GLU 3 1HG GLU 3 24.370 4.859 -29.066 17 2HG GLU 3 2HG GLU 3 25.559 6.061 -29.534 18 H SER 4 H SER 4 23.958 2.973 -28.673 19 HA SER 4 HA SER 4 23.351 0.535 -29.751 20 1HB SER 4 1HB SER 4 25.117 0.280 -27.494 21 2HB SER 4 2HB SER 4 23.542 -0.305 -26.998 22 HG SER 4 HG SER 4 24.731 -2.030 -27.937 23 H SER 5 H SER 5 21.430 -0.541 -28.274 24 HA SER 5 HA SER 5 20.146 1.004 -26.419 25 1HB SER 5 1HB SER 5 19.917 2.195 -28.972 26 2HB SER 5 2HB SER 5 18.382 1.384 -28.728 27 HG SER 5 HG SER 5 18.303 3.527 -27.866 28 H LYS 6 H LYS 6 17.612 0.335 -26.401 29 HA LYS 6 HA LYS 6 16.824 -1.939 -27.804 30 1HB LYS 6 1HB LYS 6 18.667 -2.504 -25.673 31 2HB LYS 6 2HB LYS 6 17.091 -3.132 -25.233 32 1HG LYS 6 1HG LYS 6 17.061 -4.034 -27.735 33 2HG LYS 6 2HG LYS 6 18.797 -3.818 -27.641 34 1HD LYS 6 1HD LYS 6 18.826 -5.235 -25.549 35 2HD LYS 6 2HD LYS 6 17.103 -5.499 -25.732 36 1HE LYS 6 1HE LYS 6 17.399 -6.717 -27.793 37 2HE LYS 6 2HE LYS 6 19.050 -6.163 -27.978 38 1HZ LYS 6 2HZ LYS 6 18.456 -7.606 -25.553 39 2HZ LYS 6 3HZ LYS 6 18.440 -8.480 -26.933 40 3HZ LYS 6 1HZ LYS 6 19.784 -7.662 -26.500 41 H ALA 7 H ALA 7 15.027 -3.127 -26.112 42 HA ALA 7 HA ALA 7 13.581 -0.861 -24.928 43 1HB ALA 7 1HB ALA 7 12.813 -2.693 -27.127 44 2HB ALA 7 3HB ALA 7 12.198 -1.074 -26.718 45 3HB ALA 7 2HB ALA 7 11.586 -2.504 -25.852 46 H VAL 8 H VAL 8 12.443 -1.327 -23.011 47 HA VAL 8 HA VAL 8 13.454 -3.098 -21.275 48 HB VAL 8 HB VAL 8 12.046 -1.640 -20.281 49 1HG1 VAL 8 1HG1 VAL 8 10.594 -1.788 -22.832 50 2HG1 VAL 8 2HG1 VAL 8 9.534 -1.557 -21.420 51 3HG1 VAL 8 3HG1 VAL 8 10.858 -0.408 -21.737 52 1HG2 VAL 8 1HG2 VAL 8 11.405 -4.002 -19.619 53 2HG2 VAL 8 2HG2 VAL 8 10.180 -2.750 -19.300 54 3HG2 VAL 8 3HG2 VAL 8 10.000 -3.836 -20.699 55 H LYS 9 H LYS 9 10.238 -3.761 -22.827 56 HA LYS 9 HA LYS 9 9.437 -5.625 -23.741 57 1HB LYS 9 1HB LYS 9 12.179 -5.980 -24.144 58 2HB LYS 9 2HB LYS 9 11.670 -7.467 -23.372 59 1HG LYS 9 1HG LYS 9 9.811 -7.688 -25.047 60 2HG LYS 9 2HG LYS 9 10.351 -6.217 -25.829 61 1HD LYS 9 1HD LYS 9 12.377 -8.413 -25.410 62 2HD LYS 9 2HD LYS 9 11.170 -8.641 -26.659 63 1HE LYS 9 1HE LYS 9 11.863 -6.152 -27.354 64 2HE LYS 9 2HE LYS 9 13.330 -6.534 -26.475 65 1HZ LYS 9 2HZ LYS 9 12.356 -8.486 -28.384 66 2HZ LYS 9 3HZ LYS 9 13.061 -7.134 -28.971 67 3HZ LYS 9 1HZ LYS 9 13.893 -8.119 -27.968 68 H TYR 10 H TYR 10 11.638 -6.331 -20.942 69 HA TYR 10 HA TYR 10 9.301 -7.466 -19.585 70 1HB TYR 10 1HB TYR 10 11.706 -8.871 -18.836 71 2HB TYR 10 2HB TYR 10 10.351 -9.534 -19.725 72 HD1 TYR 10 HD1 TYR 10 10.580 -10.151 -21.994 73 HD2 TYR 10 HD2 TYR 10 13.567 -7.694 -20.165 74 HE1 TYR 10 HE1 TYR 10 12.067 -10.422 -24.039 75 HE2 TYR 10 HE2 TYR 10 15.044 -7.973 -22.216 76 HH TYR 10 HH TYR 10 14.798 -10.274 -24.311 77 H TYR 11 H TYR 11 8.994 -6.168 -17.842 78 HA TYR 11 HA TYR 11 11.415 -5.328 -16.392 79 1HB TYR 11 1HB TYR 11 9.023 -3.966 -17.511 80 2HB TYR 11 2HB TYR 11 9.160 -3.661 -15.791 81 HD1 TYR 11 HD1 TYR 11 9.536 -1.270 -16.173 82 HD2 TYR 11 HD2 TYR 11 12.192 -4.205 -17.791 83 HE1 TYR 11 HE1 TYR 11 11.265 0.536 -16.632 84 HE2 TYR 11 HE2 TYR 11 13.913 -2.390 -18.246 85 HH TYR 11 HH TYR 11 14.490 -0.291 -17.725 86 H THR 12 H THR 12 11.043 -4.937 -14.021 87 HA THR 12 HA THR 12 9.144 -6.941 -13.013 88 HB THR 12 HB THR 12 10.710 -7.183 -11.164 89 HG1 THR 12 HG1 THR 12 12.298 -5.541 -10.876 90 1HG2 THR 12 2HG2 THR 12 12.216 -6.761 -13.797 91 2HG2 THR 12 3HG2 THR 12 12.966 -7.441 -12.333 92 3HG2 THR 12 1HG2 THR 12 11.637 -8.310 -13.137 93 H LEU 13 H LEU 13 7.979 -6.491 -11.018 94 HA LEU 13 HA LEU 13 6.492 -4.237 -11.119 95 1HB LEU 13 1HB LEU 13 7.061 -6.327 -9.154 96 2HB LEU 13 2HB LEU 13 6.556 -4.816 -8.425 97 HG LEU 13 HG LEU 13 5.020 -6.347 -10.544 98 1HD1 LEU 13 1HD1 LEU 13 5.265 -6.935 -7.843 99 2HD1 LEU 13 2HD1 LEU 13 3.740 -6.024 -7.948 100 3HD1 LEU 13 3HD1 LEU 13 3.975 -7.482 -8.939 101 1HD2 LEU 13 3HD2 LEU 13 4.893 -3.663 -10.129 102 2HD2 LEU 13 1HD2 LEU 13 3.544 -4.664 -10.712 103 3HD2 LEU 13 2HD2 LEU 13 3.660 -4.245 -8.986 104 H GLU 14 H GLU 14 9.718 -4.675 -9.655 105 HA GLU 14 HA GLU 14 9.673 -2.225 -8.287 106 1HB GLU 14 1HB GLU 14 11.430 -4.466 -8.561 107 2HB GLU 14 2HB GLU 14 12.366 -3.045 -8.983 108 1HG GLU 14 1HG GLU 14 12.618 -2.699 -6.751 109 2HG GLU 14 2HG GLU 14 10.944 -2.184 -6.736 110 H GLU 15 H GLU 15 11.017 -3.307 -11.470 111 HA GLU 15 HA GLU 15 12.273 -0.986 -12.147 112 1HB GLU 15 1HB GLU 15 10.866 -3.079 -13.848 113 2HB GLU 15 2HB GLU 15 11.771 -1.759 -14.562 114 1HG GLU 15 1HG GLU 15 13.570 -2.692 -12.668 115 2HG GLU 15 2HG GLU 15 12.759 -4.175 -13.135 116 H ILE 16 H ILE 16 8.810 -1.810 -12.174 117 HA ILE 16 HA ILE 16 8.135 0.559 -13.677 118 HB ILE 16 HB ILE 16 6.312 -1.382 -12.262 119 1HG1 ILE 16 1HG1 ILE 16 6.579 -1.754 -15.139 120 2HG1 ILE 16 2HG1 ILE 16 8.105 -2.008 -14.316 121 1HG2 ILE 16 2HG2 ILE 16 5.937 0.911 -14.104 122 2HG2 ILE 16 3HG2 ILE 16 4.954 -0.538 -14.427 123 3HG2 ILE 16 1HG2 ILE 16 4.871 0.259 -12.837 124 1HD1 ILE 16 1HD1 ILE 16 5.991 -3.233 -12.754 125 2HD1 ILE 16 2HD1 ILE 16 5.880 -3.788 -14.441 126 3HD1 ILE 16 3HD1 ILE 16 7.394 -4.006 -13.530 127 H GLN 17 H GLN 17 7.891 -0.687 -10.293 128 HA GLN 17 HA GLN 17 6.512 1.433 -9.254 129 1HB GLN 17 1HB GLN 17 7.467 -0.882 -8.245 130 2HB GLN 17 2HB GLN 17 8.695 0.189 -7.602 131 1HG GLN 17 1HG GLN 17 5.963 1.271 -7.273 132 2HG GLN 17 2HG GLN 17 6.173 -0.278 -6.479 133 1HE2 GLN 17 1HE2 GLN 17 5.993 0.688 -4.459 134 2HE2 GLN 17 2HE2 GLN 17 7.278 1.596 -3.732 135 H LYS 18 H LYS 18 9.796 1.264 -10.447 136 HA LYS 18 HA LYS 18 10.747 3.485 -8.912 137 1HB LYS 18 1HB LYS 18 12.782 2.974 -9.767 138 2HB LYS 18 2HB LYS 18 12.001 1.437 -10.078 139 1HG LYS 18 1HG LYS 18 11.336 2.385 -12.387 140 2HG LYS 18 2HG LYS 18 12.416 3.724 -12.051 141 1HD LYS 18 1HD LYS 18 13.863 1.321 -11.436 142 2HD LYS 18 2HD LYS 18 13.077 1.059 -12.981 143 1HE LYS 18 1HE LYS 18 14.394 2.600 -14.060 144 2HE LYS 18 2HE LYS 18 14.296 3.751 -12.743 145 1HZ LYS 18 1HZ LYS 18 15.956 1.329 -12.663 146 2HZ LYS 18 2HZ LYS 18 16.513 2.806 -13.078 147 3HZ LYS 18 3HZ LYS 18 15.948 2.541 -11.569 148 H HIS 19 H HIS 19 9.491 2.901 -12.241 149 HA HIS 19 HA HIS 19 9.760 5.711 -12.831 150 1HB HIS 19 1HB HIS 19 9.171 3.223 -14.349 151 2HB HIS 19 2HB HIS 19 8.448 4.696 -14.963 152 HD1 HIS 19 HD1 HIS 19 10.023 4.550 -17.070 153 HD2 HIS 19 HD2 HIS 19 12.016 5.051 -13.413 154 HE1 HIS 19 HE1 HIS 19 12.418 5.215 -17.647 155 HE2 HIS 19 HE2 HIS 19 13.578 5.563 -15.360 156 H ASN 20 H ASN 20 8.332 6.863 -11.529 157 HA ASN 20 HA ASN 20 5.556 6.389 -12.175 158 1HB ASN 20 1HB ASN 20 5.769 5.235 -10.035 159 2HB ASN 20 2HB ASN 20 6.719 6.540 -9.352 160 1HD2 ASN 20 1HD2 ASN 20 3.933 7.000 -11.437 161 2HD2 ASN 20 2HD2 ASN 20 2.859 7.680 -10.260 162 H ASN 21 H ASN 21 7.762 8.373 -12.837 163 HA ASN 21 HA ASN 21 6.716 10.722 -11.481 164 1HB ASN 21 1HB ASN 21 9.313 10.144 -12.973 165 2HB ASN 21 2HB ASN 21 8.812 11.795 -12.660 166 1HD2 ASN 21 1HD2 ASN 21 9.676 8.712 -11.224 167 2HD2 ASN 21 2HD2 ASN 21 10.115 9.291 -9.652 168 H SER 22 H SER 22 6.631 12.755 -13.016 169 HA SER 22 HA SER 22 4.944 12.151 -15.135 170 1HB SER 22 1HB SER 22 4.805 14.286 -13.973 171 2HB SER 22 2HB SER 22 6.456 14.691 -14.396 172 HG SER 22 HG SER 22 5.291 15.780 -15.920 173 H LYS 23 H LYS 23 8.365 11.996 -14.850 174 HA LYS 23 HA LYS 23 8.702 12.332 -17.744 175 1HB LYS 23 1HB LYS 23 10.075 13.700 -16.052 176 2HB LYS 23 2HB LYS 23 10.915 12.205 -15.691 177 1HG LYS 23 1HG LYS 23 11.448 11.954 -18.150 178 2HG LYS 23 2HG LYS 23 10.684 13.504 -18.447 179 1HD LYS 23 1HD LYS 23 12.684 14.483 -18.008 180 2HD LYS 23 2HD LYS 23 12.469 14.031 -16.329 181 1HE LYS 23 1HE LYS 23 13.981 12.300 -16.458 182 2HE LYS 23 2HE LYS 23 13.454 11.817 -18.058 183 1HZ LYS 23 2HZ LYS 23 14.579 14.160 -18.565 184 2HZ LYS 23 3HZ LYS 23 15.503 13.674 -17.309 185 3HZ LYS 23 1HZ LYS 23 15.380 12.739 -18.642 186 H SER 24 H SER 24 8.301 10.028 -15.235 187 HA SER 24 HA SER 24 9.122 7.978 -17.099 188 1HB SER 24 1HB SER 24 10.482 8.590 -14.563 189 2HB SER 24 2HB SER 24 9.912 6.934 -14.612 190 HG SER 24 HG SER 24 12.138 7.767 -15.671 191 H THR 25 H THR 25 6.647 8.109 -17.200 192 HA THR 25 HA THR 25 5.357 6.929 -14.855 193 HB THR 25 HB THR 25 3.891 7.778 -17.353 194 HG1 THR 25 HG1 THR 25 4.191 10.012 -16.483 195 1HG2 THR 25 2HG2 THR 25 3.501 7.883 -14.342 196 2HG2 THR 25 3HG2 THR 25 2.630 9.037 -15.381 197 3HG2 THR 25 1HG2 THR 25 2.382 7.287 -15.591 198 H TRP 26 H TRP 26 5.891 4.777 -14.814 199 HA TRP 26 HA TRP 26 5.161 3.288 -17.243 200 1HB TRP 26 1HB TRP 26 7.476 3.112 -15.425 201 2HB TRP 26 2HB TRP 26 6.732 1.576 -15.820 202 HD1 TRP 26 HD1 TRP 26 7.696 0.503 -17.991 203 HE1 TRP 26 HE1 TRP 26 8.942 1.259 -20.192 204 HE3 TRP 26 HE3 TRP 26 7.517 5.488 -17.008 205 HZ2 TRP 26 HZ2 TRP 26 9.696 3.800 -21.250 206 HZ3 TRP 26 HZ3 TRP 26 8.531 7.038 -18.676 207 HH2 TRP 26 HH2 TRP 26 9.593 6.267 -20.738 208 H LEU 27 H LEU 27 3.726 1.537 -16.975 209 HA LEU 27 HA LEU 27 2.971 0.791 -14.284 210 1HB LEU 27 1HB LEU 27 0.808 1.496 -14.301 211 2HB LEU 27 2HB LEU 27 1.611 2.839 -15.089 212 HG LEU 27 HG LEU 27 -0.268 2.553 -16.395 213 1HD1 LEU 27 3HD1 LEU 27 2.084 2.187 -17.596 214 2HD1 LEU 27 1HD1 LEU 27 1.326 0.631 -18.017 215 3HD1 LEU 27 2HD1 LEU 27 0.540 2.159 -18.482 216 1HD2 LEU 27 2HD2 LEU 27 -0.296 -0.065 -15.308 217 2HD2 LEU 27 3HD2 LEU 27 -1.574 0.772 -16.221 218 3HD2 LEU 27 1HD2 LEU 27 -0.375 -0.224 -17.079 219 H ILE 28 H ILE 28 1.165 -1.020 -14.498 220 HA ILE 28 HA ILE 28 1.828 -2.607 -16.878 221 HB ILE 28 HB ILE 28 1.273 -3.945 -14.277 222 1HG1 ILE 28 1HG1 ILE 28 4.106 -3.177 -14.876 223 2HG1 ILE 28 2HG1 ILE 28 3.069 -2.002 -14.089 224 1HG2 ILE 28 1HG2 ILE 28 1.475 -5.236 -16.357 225 2HG2 ILE 28 2HG2 ILE 28 3.117 -4.592 -16.594 226 3HG2 ILE 28 3HG2 ILE 28 2.764 -5.636 -15.196 227 1HD1 ILE 28 2HD1 ILE 28 2.608 -4.528 -12.799 228 2HD1 ILE 28 3HD1 ILE 28 4.368 -4.298 -12.929 229 3HD1 ILE 28 1HD1 ILE 28 3.367 -3.070 -12.118 230 H LEU 29 H LEU 29 0.091 -3.229 -18.055 231 HA LEU 29 HA LEU 29 -2.504 -3.152 -16.679 232 1HB LEU 29 1HB LEU 29 -1.594 -1.558 -18.826 233 2HB LEU 29 2HB LEU 29 -2.729 -2.706 -19.510 234 HG LEU 29 HG LEU 29 -3.186 -0.459 -17.618 235 1HD1 LEU 29 2HD1 LEU 29 -4.804 -1.722 -19.847 236 2HD1 LEU 29 3HD1 LEU 29 -5.293 -0.290 -18.909 237 3HD1 LEU 29 1HD1 LEU 29 -3.837 -0.231 -19.931 238 1HD2 LEU 29 3HD2 LEU 29 -4.397 -3.156 -17.253 239 2HD2 LEU 29 1HD2 LEU 29 -4.039 -1.880 -16.063 240 3HD2 LEU 29 2HD2 LEU 29 -5.469 -1.742 -17.115 241 H HIS 30 H HIS 30 -3.697 -4.998 -16.775 242 HA HIS 30 HA HIS 30 -4.347 -7.019 -17.341 243 1HB HIS 30 1HB HIS 30 -4.332 -6.005 -19.677 244 2HB HIS 30 2HB HIS 30 -2.778 -6.780 -19.917 245 HD1 HIS 30 HD1 HIS 30 -2.824 -9.149 -20.753 246 HD2 HIS 30 HD2 HIS 30 -6.485 -7.978 -19.071 247 HE1 HIS 30 HE1 HIS 30 -4.454 -11.065 -21.181 248 HE2 HIS 30 HE2 HIS 30 -6.670 -10.311 -20.080 249 H TYR 31 H TYR 31 -0.895 -6.452 -18.295 250 HA TYR 31 HA TYR 31 0.199 -8.012 -16.325 251 1HB TYR 31 1HB TYR 31 -0.155 -10.174 -17.101 252 2HB TYR 31 2HB TYR 31 -1.169 -9.516 -18.369 253 HD1 TYR 31 HD1 TYR 31 -0.539 -9.751 -20.615 254 HD2 TYR 31 HD2 TYR 31 2.419 -10.210 -17.558 255 HE1 TYR 31 HE1 TYR 31 1.150 -10.520 -22.353 256 HE2 TYR 31 HE2 TYR 31 4.097 -10.978 -19.307 257 HH TYR 31 HH TYR 31 4.515 -11.032 -21.494 258 H LYS 32 H LYS 32 0.214 -6.334 -19.335 259 HA LYS 32 HA LYS 32 3.098 -6.653 -19.632 260 1HB LYS 32 1HB LYS 32 1.025 -5.351 -21.422 261 2HB LYS 32 2HB LYS 32 2.738 -5.440 -21.774 262 1HG LYS 32 1HG LYS 32 2.526 -7.559 -22.551 263 2HG LYS 32 2HG LYS 32 1.810 -8.086 -21.041 264 1HD LYS 32 1HD LYS 32 -0.175 -8.318 -22.108 265 2HD LYS 32 2HD LYS 32 -0.224 -6.579 -22.329 266 1HE LYS 32 1HE LYS 32 1.064 -6.805 -24.458 267 2HE LYS 32 2HE LYS 32 1.147 -8.541 -24.233 268 1HZ LYS 32 3HZ LYS 32 -1.331 -8.478 -24.182 269 2HZ LYS 32 1HZ LYS 32 -1.256 -6.927 -24.689 270 3HZ LYS 32 2HZ LYS 32 -0.658 -8.122 -25.627 271 H VAL 33 H VAL 33 4.228 -4.452 -20.294 272 HA VAL 33 HA VAL 33 3.389 -2.497 -18.268 273 HB VAL 33 HB VAL 33 6.132 -3.168 -19.353 274 1HG1 VAL 33 3HG1 VAL 33 5.348 -0.696 -18.504 275 2HG1 VAL 33 1HG1 VAL 33 5.888 -1.426 -16.974 276 3HG1 VAL 33 2HG1 VAL 33 7.003 -1.335 -18.359 277 1HG2 VAL 33 3HG2 VAL 33 4.869 -3.632 -16.629 278 2HG2 VAL 33 1HG2 VAL 33 5.329 -4.871 -17.822 279 3HG2 VAL 33 2HG2 VAL 33 6.586 -3.896 -17.020 280 H TYR 34 H TYR 34 2.833 -0.478 -18.949 281 HA TYR 34 HA TYR 34 3.458 0.154 -21.756 282 1HB TYR 34 1HB TYR 34 1.136 1.047 -19.939 283 2HB TYR 34 2HB TYR 34 1.263 1.373 -21.656 284 HD1 TYR 34 HD1 TYR 34 1.312 -1.609 -19.365 285 HD2 TYR 34 HD2 TYR 34 -0.031 0.069 -23.064 286 HE1 TYR 34 HE1 TYR 34 0.023 -3.741 -19.873 287 HE2 TYR 34 HE2 TYR 34 -1.317 -2.069 -23.559 288 HH TYR 34 HH TYR 34 -1.628 -4.155 -22.971 289 H ASP 35 H ASP 35 3.984 2.353 -22.263 290 HA ASP 35 HA ASP 35 5.245 3.654 -20.048 291 1HB ASP 35 1HB ASP 35 6.059 3.368 -22.567 292 2HB ASP 35 2HB ASP 35 5.072 4.788 -22.853 293 H LEU 36 H LEU 36 3.541 4.605 -18.791 294 HA LEU 36 HA LEU 36 1.294 5.839 -19.885 295 1HB LEU 36 1HB LEU 36 2.677 5.956 -17.221 296 2HB LEU 36 2HB LEU 36 1.293 6.978 -17.558 297 HG LEU 36 HG LEU 36 1.428 3.987 -17.310 298 1HD1 LEU 36 2HD1 LEU 36 0.431 6.170 -15.745 299 2HD1 LEU 36 3HD1 LEU 36 -0.926 5.113 -16.209 300 3HD1 LEU 36 1HD1 LEU 36 0.481 4.432 -15.357 301 1HD2 LEU 36 3HD2 LEU 36 -0.476 5.554 -19.009 302 2HD2 LEU 36 1HD2 LEU 36 0.261 3.958 -19.289 303 3HD2 LEU 36 2HD2 LEU 36 -1.066 4.134 -18.113 304 H THR 37 H THR 37 4.609 6.986 -19.261 305 HA THR 37 HA THR 37 4.205 9.711 -19.336 306 HB THR 37 HB THR 37 6.412 7.766 -19.953 307 HG1 THR 37 HG1 THR 37 6.108 10.303 -18.505 308 1HG2 THR 37 2HG2 THR 37 6.543 9.568 -21.790 309 2HG2 THR 37 3HG2 THR 37 6.694 10.765 -20.481 310 3HG2 THR 37 1HG2 THR 37 7.939 9.509 -20.688 311 H LYS 38 H LYS 38 4.063 7.336 -21.974 312 HA LYS 38 HA LYS 38 4.080 9.395 -23.978 313 1HB LYS 38 1HB LYS 38 4.032 6.424 -23.900 314 2HB LYS 38 2HB LYS 38 3.270 7.172 -25.288 315 1HG LYS 38 1HG LYS 38 5.420 8.620 -25.491 316 2HG LYS 38 2HG LYS 38 6.143 7.514 -24.340 317 1HD LYS 38 1HD LYS 38 5.280 5.628 -25.980 318 2HD LYS 38 2HD LYS 38 5.156 6.930 -27.148 319 1HE LYS 38 1HE LYS 38 7.437 7.135 -27.367 320 2HE LYS 38 2HE LYS 38 7.727 6.908 -25.653 321 1HZ LYS 38 2HZ LYS 38 6.765 4.522 -26.674 322 2HZ LYS 38 3HZ LYS 38 7.942 5.033 -27.685 323 3HZ LYS 38 1HZ LYS 38 8.260 4.836 -26.096 324 H PHE 39 H PHE 39 1.730 7.561 -22.046 325 HA PHE 39 HA PHE 39 -0.408 8.884 -23.558 326 1HB PHE 39 1HB PHE 39 -0.331 6.334 -23.425 327 2HB PHE 39 2HB PHE 39 -0.377 6.446 -21.678 328 HD1 PHE 39 HD1 PHE 39 -2.342 7.969 -24.477 329 HD2 PHE 39 HD2 PHE 39 -2.411 5.851 -20.799 330 HE1 PHE 39 HE1 PHE 39 -4.850 7.941 -24.541 331 HE2 PHE 39 HE2 PHE 39 -4.921 5.824 -20.863 332 HZ PHE 39 HZ PHE 39 -6.110 6.869 -22.733 333 H LEU 40 H LEU 40 1.216 10.241 -21.519 334 HA LEU 40 HA LEU 40 -0.168 10.199 -19.054 335 1HB LEU 40 1HB LEU 40 2.094 11.561 -20.270 336 2HB LEU 40 2HB LEU 40 1.143 12.644 -19.273 337 HG LEU 40 HG LEU 40 2.496 10.074 -18.427 338 1HD1 LEU 40 1HD1 LEU 40 3.171 12.908 -18.298 339 2HD1 LEU 40 2HD1 LEU 40 3.219 12.117 -16.703 340 3HD1 LEU 40 3HD1 LEU 40 4.189 11.469 -18.048 341 1HD2 LEU 40 2HD2 LEU 40 0.132 11.324 -17.313 342 2HD2 LEU 40 3HD2 LEU 40 0.925 9.791 -16.882 343 3HD2 LEU 40 1HD2 LEU 40 1.471 11.315 -16.141 344 H GLU 41 H GLU 41 0.065 12.904 -21.470 345 HA GLU 41 HA GLU 41 -1.984 14.355 -20.495 346 1HB GLU 41 1HB GLU 41 -1.016 13.991 -23.356 347 2HB GLU 41 2HB GLU 41 -2.226 15.186 -22.930 348 1HG GLU 41 1HG GLU 41 -0.542 16.022 -21.137 349 2HG GLU 41 2HG GLU 41 0.651 15.024 -21.942 350 H GLU 42 H GLU 42 -2.455 12.559 -23.608 351 HA GLU 42 HA GLU 42 -5.024 12.550 -23.843 352 1HB GLU 42 1HB GLU 42 -2.929 10.706 -24.581 353 2HB GLU 42 2HB GLU 42 -4.361 9.775 -24.184 354 1HG GLU 42 1HG GLU 42 -5.616 10.678 -25.924 355 2HG GLU 42 2HG GLU 42 -4.784 12.219 -25.877 356 H HIS 43 H HIS 43 -6.470 12.639 -22.135 357 HA HIS 43 HA HIS 43 -7.455 10.379 -21.020 358 1HB HIS 43 1HB HIS 43 -4.955 10.891 -19.844 359 2HB HIS 43 2HB HIS 43 -6.129 11.428 -18.657 360 HD1 HIS 43 HD1 HIS 43 -4.481 8.425 -19.911 361 HD2 HIS 43 HD2 HIS 43 -8.109 9.300 -17.999 362 HE1 HIS 43 HE1 HIS 43 -5.341 6.217 -18.966 363 HE2 HIS 43 HE2 HIS 43 -7.544 6.828 -17.754 364 HA PRO 44 HA PRO 44 -10.189 13.613 -20.050 365 1HB PRO 44 1HB PRO 44 -12.282 12.116 -19.129 366 2HB PRO 44 2HB PRO 44 -11.991 12.412 -20.832 367 1HG PRO 44 1HG PRO 44 -11.510 9.949 -19.271 368 2HG PRO 44 2HG PRO 44 -11.632 10.141 -21.009 369 1HD PRO 44 1HD PRO 44 -9.227 9.796 -19.486 370 2HD PRO 44 2HD PRO 44 -9.342 10.104 -21.208 371 H GLY 45 H GLY 45 -8.392 11.955 -17.956 372 1HA GLY 45 2HA GLY 45 -8.674 11.779 -15.578 373 2HA GLY 45 1HA GLY 45 -9.699 13.199 -15.616 374 H GLY 46 H GLY 46 -6.439 12.389 -17.025 375 1HA GLY 46 2HA GLY 46 -5.312 14.639 -15.499 376 2HA GLY 46 1HA GLY 46 -5.114 14.579 -17.239 377 H GLU 47 H GLU 47 -2.769 14.463 -16.885 378 HA GLU 47 HA GLU 47 -1.681 12.079 -17.287 379 1HB GLU 47 1HB GLU 47 -0.507 14.448 -15.775 380 2HB GLU 47 2HB GLU 47 0.458 13.074 -16.276 381 1HG GLU 47 1HG GLU 47 0.754 14.254 -18.212 382 2HG GLU 47 2HG GLU 47 -0.834 13.645 -18.636 383 H GLU 48 H GLU 48 -2.390 13.554 -14.072 384 HA GLU 48 HA GLU 48 -1.102 11.757 -12.493 385 1HB GLU 48 1HB GLU 48 -2.979 13.852 -12.163 386 2HB GLU 48 2HB GLU 48 -3.706 12.471 -11.367 387 1HG GLU 48 1HG GLU 48 -1.827 12.180 -9.899 388 2HG GLU 48 2HG GLU 48 -0.793 13.197 -10.881 389 H VAL 49 H VAL 49 -4.319 11.498 -14.087 390 HA VAL 49 HA VAL 49 -5.327 9.302 -12.827 391 HB VAL 49 HB VAL 49 -6.300 10.792 -14.650 392 1HG1 VAL 49 3HG1 VAL 49 -4.264 9.763 -16.192 393 2HG1 VAL 49 1HG1 VAL 49 -5.666 8.802 -16.720 394 3HG1 VAL 49 2HG1 VAL 49 -5.720 10.579 -16.812 395 1HG2 VAL 49 1HG2 VAL 49 -6.790 7.970 -14.042 396 2HG2 VAL 49 2HG2 VAL 49 -7.934 9.327 -14.192 397 3HG2 VAL 49 3HG2 VAL 49 -7.400 8.448 -15.645 398 H LEU 50 H LEU 50 -2.528 9.552 -14.954 399 HA LEU 50 HA LEU 50 -2.399 6.628 -15.085 400 1HB LEU 50 1HB LEU 50 -0.818 8.659 -16.663 401 2HB LEU 50 2HB LEU 50 -0.850 6.924 -16.904 402 HG LEU 50 HG LEU 50 -3.531 7.683 -17.118 403 1HD1 LEU 50 3HD1 LEU 50 -2.493 10.060 -17.245 404 2HD1 LEU 50 1HD1 LEU 50 -2.006 9.574 -18.886 405 3HD1 LEU 50 2HD1 LEU 50 -3.727 9.578 -18.435 406 1HD2 LEU 50 3HD2 LEU 50 -2.311 5.958 -18.410 407 2HD2 LEU 50 1HD2 LEU 50 -3.309 7.024 -19.428 408 3HD2 LEU 50 2HD2 LEU 50 -1.544 7.251 -19.363 409 H ARG 51 H ARG 51 -0.785 9.601 -13.941 410 HA ARG 51 HA ARG 51 1.596 8.354 -13.232 411 1HB ARG 51 1HB ARG 51 0.874 10.922 -13.395 412 2HB ARG 51 2HB ARG 51 0.499 10.727 -11.694 413 1HG ARG 51 1HG ARG 51 3.127 9.576 -12.401 414 2HG ARG 51 2HG ARG 51 3.027 11.286 -12.774 415 1HD ARG 51 1HD ARG 51 2.023 10.313 -10.086 416 2HD ARG 51 2HD ARG 51 3.750 10.481 -10.338 417 HE ARG 51 HE ARG 51 1.780 12.659 -10.185 418 1HH1 ARG 51 2HH1 ARG 51 2.583 14.798 -10.152 419 2HH1 ARG 51 1HH1 ARG 51 4.233 15.110 -10.576 420 1HH2 ARG 51 2HH2 ARG 51 5.020 11.733 -11.199 421 2HH2 ARG 51 1HH2 ARG 51 5.629 13.356 -11.176 422 H GLU 52 H GLU 52 -1.512 8.960 -11.512 423 HA GLU 52 HA GLU 52 -0.611 8.174 -9.002 424 1HB GLU 52 1HB GLU 52 -2.979 8.085 -8.402 425 2HB GLU 52 2HB GLU 52 -2.696 9.476 -9.428 426 1HG GLU 52 1HG GLU 52 -3.322 7.784 -11.393 427 2HG GLU 52 2HG GLU 52 -4.084 6.874 -10.104 428 H GLN 53 H GLN 53 -1.040 6.380 -11.880 429 HA GLN 53 HA GLN 53 -1.436 3.940 -10.331 430 1HB GLN 53 1HB GLN 53 -2.130 2.914 -12.522 431 2HB GLN 53 2HB GLN 53 -3.183 4.210 -11.991 432 1HG GLN 53 1HG GLN 53 -1.958 5.809 -13.487 433 2HG GLN 53 2HG GLN 53 -0.921 4.502 -14.026 434 1HE2 GLN 53 1HE2 GLN 53 -4.050 5.963 -14.166 435 2HE2 GLN 53 2HE2 GLN 53 -4.731 5.010 -15.442 436 H ALA 54 H ALA 54 0.762 5.825 -12.277 437 HA ALA 54 HA ALA 54 2.359 3.744 -13.282 438 1HB ALA 54 1HB ALA 54 2.634 6.704 -12.810 439 2HB ALA 54 2HB ALA 54 4.082 5.755 -13.227 440 3HB ALA 54 3HB ALA 54 2.690 5.788 -14.336 441 H GLY 55 H GLY 55 3.875 2.460 -12.323 442 1HA GLY 55 2HA GLY 55 4.653 3.166 -9.555 443 2HA GLY 55 1HA GLY 55 5.753 2.471 -10.728 444 H GLY 56 H GLY 56 3.287 0.838 -11.807 445 1HA GLY 56 2HA GLY 56 2.720 -0.972 -9.624 446 2HA GLY 56 1HA GLY 56 3.832 -1.609 -10.819 447 H ASP 57 H ASP 57 1.542 -3.005 -10.623 448 HA ASP 57 HA ASP 57 0.485 -2.805 -13.173 449 1HB ASP 57 1HB ASP 57 0.275 -4.946 -12.291 450 2HB ASP 57 2HB ASP 57 -0.089 -4.364 -10.679 451 H ALA 58 H ALA 58 -1.389 -1.739 -13.947 452 HA ALA 58 HA ALA 58 -2.869 -0.185 -11.943 453 1HB ALA 58 3HB ALA 58 -1.470 0.805 -13.996 454 2HB ALA 58 1HB ALA 58 -2.968 0.424 -14.880 455 3HB ALA 58 2HB ALA 58 -3.014 1.528 -13.484 456 H THR 59 H THR 59 -2.972 -2.882 -14.083 457 HA THR 59 HA THR 59 -5.502 -2.857 -15.121 458 HB THR 59 HB THR 59 -3.369 -4.641 -14.876 459 HG1 THR 59 HG1 THR 59 -6.164 -5.062 -15.674 460 1HG2 THR 59 3HG2 THR 59 -5.870 -5.771 -13.517 461 2HG2 THR 59 1HG2 THR 59 -4.559 -6.774 -14.185 462 3HG2 THR 59 2HG2 THR 59 -4.235 -5.681 -12.816 463 H GLU 60 H GLU 60 -4.562 -4.095 -11.842 464 HA GLU 60 HA GLU 60 -6.939 -4.904 -10.977 465 1HB GLU 60 1HB GLU 60 -4.486 -3.945 -9.771 466 2HB GLU 60 2HB GLU 60 -5.843 -3.389 -8.812 467 1HG GLU 60 1HG GLU 60 -6.268 -6.163 -9.622 468 2HG GLU 60 2HG GLU 60 -4.706 -6.000 -8.845 469 H ASN 61 H ASN 61 -5.999 -1.587 -11.715 470 HA ASN 61 HA ASN 61 -8.319 -0.558 -10.350 471 1HB ASN 61 1HB ASN 61 -5.751 0.486 -11.152 472 2HB ASN 61 2HB ASN 61 -6.967 1.420 -12.001 473 1HD2 ASN 61 1HD2 ASN 61 -5.282 1.004 -9.151 474 2HD2 ASN 61 2HD2 ASN 61 -6.215 1.999 -8.083 475 H PHE 62 H PHE 62 -6.782 -0.443 -13.661 476 HA PHE 62 HA PHE 62 -8.775 0.733 -15.059 477 1HB PHE 62 1HB PHE 62 -7.124 0.191 -16.587 478 2HB PHE 62 2HB PHE 62 -6.451 -0.976 -15.465 479 HD1 PHE 62 HD1 PHE 62 -8.286 -0.514 -18.511 480 HD2 PHE 62 HD2 PHE 62 -7.391 -3.329 -15.465 481 HE1 PHE 62 HE1 PHE 62 -9.000 -2.383 -20.029 482 HE2 PHE 62 HE2 PHE 62 -8.104 -5.199 -16.982 483 HZ PHE 62 HZ PHE 62 -8.900 -4.702 -19.245 484 H GLU 63 H GLU 63 -8.847 -2.402 -13.504 485 HA GLU 63 HA GLU 63 -10.789 -3.534 -15.198 486 1HB GLU 63 1HB GLU 63 -9.392 -4.235 -12.685 487 2HB GLU 63 2HB GLU 63 -11.033 -4.845 -12.753 488 1HG GLU 63 1HG GLU 63 -9.138 -5.196 -15.106 489 2HG GLU 63 2HG GLU 63 -9.120 -6.319 -13.759 490 H ASP 64 H ASP 64 -10.877 -1.856 -11.990 491 HA ASP 64 HA ASP 64 -13.616 -2.151 -11.644 492 1HB ASP 64 1HB ASP 64 -11.465 -1.077 -10.211 493 2HB ASP 64 2HB ASP 64 -12.441 0.340 -10.551 494 H VAL 65 H VAL 65 -11.589 0.695 -12.702 495 HA VAL 65 HA VAL 65 -13.669 2.409 -13.290 496 HB VAL 65 HB VAL 65 -11.702 3.500 -13.276 497 1HG1 VAL 65 3HG1 VAL 65 -10.557 0.937 -14.319 498 2HG1 VAL 65 1HG1 VAL 65 -9.626 2.438 -14.541 499 3HG1 VAL 65 2HG1 VAL 65 -10.086 1.909 -12.904 500 1HG2 VAL 65 1HG2 VAL 65 -12.725 4.031 -15.449 501 2HG2 VAL 65 2HG2 VAL 65 -10.950 4.130 -15.522 502 3HG2 VAL 65 3HG2 VAL 65 -11.791 2.720 -16.210 503 H GLY 66 H GLY 66 -12.760 -0.559 -14.808 504 1HA GLY 66 2HA GLY 66 -14.893 -0.728 -16.502 505 2HA GLY 66 1HA GLY 66 -13.370 -1.563 -16.730 506 H HIS 67 H HIS 67 -11.594 -0.411 -17.923 507 HA HIS 67 HA HIS 67 -12.207 1.966 -19.316 508 1HB HIS 67 1HB HIS 67 -9.995 -0.076 -19.473 509 2HB HIS 67 2HB HIS 67 -10.099 1.234 -20.634 510 HD1 HIS 67 HD1 HIS 67 -9.193 0.484 -17.090 511 HD2 HIS 67 HD2 HIS 67 -9.653 3.853 -19.544 512 HE1 HIS 67 HE1 HIS 67 -8.114 2.430 -15.841 513 HE2 HIS 67 HE2 HIS 67 -8.380 4.461 -17.422 514 H SER 68 H SER 68 -11.656 1.783 -21.922 515 HA SER 68 HA SER 68 -13.721 -0.044 -22.846 516 1HB SER 68 1HB SER 68 -14.283 1.513 -24.483 517 2HB SER 68 2HB SER 68 -13.743 2.577 -23.199 518 HG SER 68 HG SER 68 -12.666 3.292 -25.017 519 H THR 69 H THR 69 -13.335 -1.376 -24.731 520 HA THR 69 HA THR 69 -10.918 -2.610 -24.905 521 HB THR 69 HB THR 69 -11.812 -3.319 -27.206 522 HG1 THR 69 HG1 THR 69 -14.145 -1.809 -26.421 523 1HG2 THR 69 3HG2 THR 69 -13.394 -3.419 -24.647 524 2HG2 THR 69 1HG2 THR 69 -14.262 -3.839 -26.142 525 3HG2 THR 69 2HG2 THR 69 -12.813 -4.758 -25.665 526 H ASP 70 H ASP 70 -11.899 0.456 -26.416 527 HA ASP 70 HA ASP 70 -9.807 0.531 -28.250 528 1HB ASP 70 1HB ASP 70 -11.832 1.986 -28.342 529 2HB ASP 70 2HB ASP 70 -11.325 2.799 -26.875 530 H ALA 71 H ALA 71 -10.297 1.905 -24.920 531 HA ALA 71 HA ALA 71 -7.940 3.299 -24.680 532 1HB ALA 71 3HB ALA 71 -9.032 1.758 -22.343 533 2HB ALA 71 2HB ALA 71 -10.077 2.964 -23.131 534 3HB ALA 71 1HB ALA 71 -8.512 3.456 -22.442 535 H ARG 72 H ARG 72 -8.637 -0.192 -24.034 536 HA ARG 72 HA ARG 72 -6.119 -0.766 -23.059 537 1HB ARG 72 1HB ARG 72 -7.926 -2.677 -24.618 538 2HB ARG 72 2HB ARG 72 -6.733 -3.117 -23.412 539 1HG ARG 72 1HG ARG 72 -8.039 -1.878 -21.670 540 2HG ARG 72 2HG ARG 72 -9.235 -1.443 -22.876 541 1HD ARG 72 1HD ARG 72 -9.514 -3.983 -23.312 542 2HD ARG 72 2HD ARG 72 -8.566 -4.240 -21.861 543 HE ARG 72 HE ARG 72 -10.786 -2.382 -21.445 544 1HH1 ARG 72 2HH1 ARG 72 -12.505 -3.052 -20.095 545 2HH1 ARG 72 1HH1 ARG 72 -12.678 -4.725 -19.681 546 1HH2 ARG 72 2HH2 ARG 72 -9.863 -5.777 -21.518 547 2HH2 ARG 72 1HH2 ARG 72 -11.165 -6.285 -20.495 548 H GLU 73 H GLU 73 -7.554 -1.220 -26.374 549 HA GLU 73 HA GLU 73 -5.336 -2.280 -27.560 550 1HB GLU 73 1HB GLU 73 -7.856 -1.052 -28.402 551 2HB GLU 73 2HB GLU 73 -6.570 -0.670 -29.531 552 1HG GLU 73 1HG GLU 73 -6.071 -3.008 -29.911 553 2HG GLU 73 2HG GLU 73 -7.039 -3.514 -28.540 554 H LEU 74 H LEU 74 -6.271 1.177 -27.091 555 HA LEU 74 HA LEU 74 -4.242 2.308 -28.599 556 1HB LEU 74 1HB LEU 74 -5.276 4.151 -27.992 557 2HB LEU 74 2HB LEU 74 -6.353 3.165 -27.023 558 HG LEU 74 HG LEU 74 -4.311 3.458 -25.266 559 1HD1 LEU 74 3HD1 LEU 74 -4.157 5.778 -27.165 560 2HD1 LEU 74 1HD1 LEU 74 -3.822 6.017 -25.433 561 3HD1 LEU 74 2HD1 LEU 74 -2.852 4.860 -26.375 562 1HD2 LEU 74 1HD2 LEU 74 -6.926 4.674 -25.707 563 2HD2 LEU 74 2HD2 LEU 74 -6.174 4.071 -24.210 564 3HD2 LEU 74 3HD2 LEU 74 -5.830 5.725 -24.775 565 H SER 75 H SER 75 -4.290 1.066 -25.230 566 HA SER 75 HA SER 75 -1.806 2.103 -24.538 567 1HB SER 75 1HB SER 75 -2.401 -0.450 -23.234 568 2HB SER 75 2HB SER 75 -2.294 1.154 -22.536 569 HG SER 75 HG SER 75 -4.445 0.154 -22.372 570 H LYS 76 H LYS 76 -2.850 -0.793 -26.328 571 HA LYS 76 HA LYS 76 -0.516 -2.293 -26.101 572 1HB LYS 76 1HB LYS 76 -1.717 -3.731 -27.300 573 2HB LYS 76 2HB LYS 76 -3.001 -2.539 -27.333 574 1HG LYS 76 1HG LYS 76 -1.845 -1.518 -29.396 575 2HG LYS 76 2HG LYS 76 -0.799 -2.923 -29.409 576 1HD LYS 76 1HD LYS 76 -3.145 -4.237 -29.284 577 2HD LYS 76 2HD LYS 76 -3.755 -2.752 -29.982 578 1HE LYS 76 1HE LYS 76 -1.531 -3.160 -31.556 579 2HE LYS 76 2HE LYS 76 -1.964 -4.818 -31.186 580 1HZ LYS 76 2HZ LYS 76 -4.234 -4.258 -31.907 581 2HZ LYS 76 3HZ LYS 76 -3.713 -2.786 -32.383 582 3HZ LYS 76 1HZ LYS 76 -3.132 -4.131 -33.105 583 H THR 77 H THR 77 -1.119 0.746 -27.634 584 HA THR 77 HA THR 77 1.082 0.401 -29.517 585 HB THR 77 HB THR 77 0.167 2.309 -30.573 586 HG1 THR 77 HG1 THR 77 -1.088 3.828 -29.194 587 1HG2 THR 77 2HG2 THR 77 -1.743 0.420 -29.663 588 2HG2 THR 77 3HG2 THR 77 -2.436 2.005 -29.247 589 3HG2 THR 77 1HG2 THR 77 -1.993 1.643 -30.932 590 H PHE 78 H PHE 78 0.553 1.374 -26.261 591 HA PHE 78 HA PHE 78 2.964 3.032 -26.336 592 1HB PHE 78 1HB PHE 78 0.579 2.616 -24.462 593 2HB PHE 78 2HB PHE 78 2.027 3.398 -23.859 594 HD1 PHE 78 HD1 PHE 78 2.867 5.137 -26.000 595 HD2 PHE 78 HD2 PHE 78 -1.067 4.210 -24.710 596 HE1 PHE 78 HE1 PHE 78 2.055 7.335 -26.900 597 HE2 PHE 78 HE2 PHE 78 -1.881 6.408 -25.610 598 HZ PHE 78 HZ PHE 78 -0.309 7.945 -26.694 599 H ILE 79 H ILE 79 1.967 -0.159 -25.788 600 HA ILE 79 HA ILE 79 3.238 -0.870 -23.447 601 HB ILE 79 HB ILE 79 2.413 -2.244 -25.947 602 1HG1 ILE 79 1HG1 ILE 79 1.696 -2.236 -23.049 603 2HG1 ILE 79 2HG1 ILE 79 0.664 -2.160 -24.461 604 1HG2 ILE 79 2HG2 ILE 79 4.649 -3.184 -25.520 605 2HG2 ILE 79 3HG2 ILE 79 4.147 -3.599 -23.864 606 3HG2 ILE 79 1HG2 ILE 79 3.351 -4.373 -25.256 607 1HD1 ILE 79 1HD1 ILE 79 1.214 -4.565 -24.962 608 2HD1 ILE 79 2HD1 ILE 79 2.164 -4.622 -23.459 609 3HD1 ILE 79 3HD1 ILE 79 0.406 -4.349 -23.391 610 H ILE 80 H ILE 80 5.323 -0.916 -22.790 611 HA ILE 80 HA ILE 80 7.346 -0.620 -24.895 612 HB ILE 80 HB ILE 80 8.664 0.142 -22.717 613 1HG1 ILE 80 1HG1 ILE 80 7.080 1.590 -21.354 614 2HG1 ILE 80 2HG1 ILE 80 5.759 0.683 -22.063 615 1HG2 ILE 80 2HG2 ILE 80 6.836 1.745 -24.505 616 2HG2 ILE 80 3HG2 ILE 80 7.892 2.510 -23.294 617 3HG2 ILE 80 1HG2 ILE 80 8.601 1.536 -24.603 618 1HD1 ILE 80 3HD1 ILE 80 7.585 -1.301 -21.224 619 2HD1 ILE 80 1HD1 ILE 80 7.589 -0.092 -19.917 620 3HD1 ILE 80 2HD1 ILE 80 6.060 -0.851 -20.421 621 H GLY 81 H GLY 81 6.044 -2.646 -22.369 622 1HA GLY 81 2HA GLY 81 8.264 -4.084 -21.546 623 2HA GLY 81 1HA GLY 81 7.760 -4.796 -23.065 624 H GLU 82 H GLU 82 7.660 -6.063 -20.425 625 HA GLU 82 HA GLU 82 4.889 -5.992 -19.695 626 1HB GLU 82 1HB GLU 82 5.837 -8.755 -20.323 627 2HB GLU 82 2HB GLU 82 4.231 -8.068 -20.456 628 1HG GLU 82 1HG GLU 82 4.894 -6.826 -22.496 629 2HG GLU 82 2HG GLU 82 6.540 -7.407 -22.343 630 H LEU 83 H LEU 83 4.475 -7.447 -17.742 631 HA LEU 83 HA LEU 83 6.579 -7.089 -15.895 632 1HB LEU 83 1HB LEU 83 4.101 -7.001 -15.465 633 2HB LEU 83 2HB LEU 83 4.079 -8.749 -15.581 634 HG LEU 83 HG LEU 83 4.541 -8.880 -13.418 635 1HD1 LEU 83 2HD1 LEU 83 7.094 -7.422 -14.144 636 2HD1 LEU 83 3HD1 LEU 83 6.777 -8.157 -12.553 637 3HD1 LEU 83 1HD1 LEU 83 6.838 -9.179 -14.010 638 1HD2 LEU 83 2HD2 LEU 83 4.067 -6.083 -13.753 639 2HD2 LEU 83 3HD2 LEU 83 3.771 -7.110 -12.331 640 3HD2 LEU 83 1HD2 LEU 83 5.344 -6.303 -12.533 641 H HIS 84 H HIS 84 8.349 -8.319 -15.591 642 HA HIS 84 HA HIS 84 8.699 -10.701 -17.022 643 1HB HIS 84 1HB HIS 84 10.281 -8.893 -15.549 644 2HB HIS 84 2HB HIS 84 10.494 -10.443 -14.761 645 HD1 HIS 84 HD1 HIS 84 13.022 -9.885 -15.850 646 HD2 HIS 84 HD2 HIS 84 9.981 -11.167 -18.439 647 HE1 HIS 84 HE1 HIS 84 14.186 -10.733 -17.955 648 HE2 HIS 84 HE2 HIS 84 12.270 -11.559 -19.486 649 HA PRO 85 HA PRO 85 7.527 -13.762 -14.168 650 1HB PRO 85 1HB PRO 85 9.661 -15.415 -13.741 651 2HB PRO 85 2HB PRO 85 8.681 -15.472 -15.192 652 1HG PRO 85 1HG PRO 85 11.396 -14.361 -14.833 653 2HG PRO 85 2HG PRO 85 10.582 -14.811 -16.318 654 1HD PRO 85 1HD PRO 85 10.978 -12.153 -15.314 655 2HD PRO 85 2HD PRO 85 10.064 -12.610 -16.739 656 H ASP 86 H ASP 86 9.071 -11.295 -13.081 657 HA ASP 86 HA ASP 86 9.925 -12.323 -10.576 658 1HB ASP 86 1HB ASP 86 11.119 -10.399 -10.936 659 2HB ASP 86 2HB ASP 86 9.904 -9.736 -12.011 660 H ASP 87 H ASP 87 6.994 -11.006 -12.059 661 HA ASP 87 HA ASP 87 5.509 -11.638 -9.738 662 1HB ASP 87 1HB ASP 87 5.907 -8.742 -10.578 663 2HB ASP 87 2HB ASP 87 4.454 -9.238 -9.733 664 H ARG 88 H ARG 88 5.103 -12.927 -11.978 665 HA ARG 88 HA ARG 88 3.604 -11.497 -13.898 666 1HB ARG 88 1HB ARG 88 4.102 -14.480 -13.449 667 2HB ARG 88 2HB ARG 88 3.177 -13.870 -14.808 668 1HG ARG 88 1HG ARG 88 5.972 -12.822 -14.236 669 2HG ARG 88 2HG ARG 88 5.740 -14.307 -15.135 670 1HD ARG 88 1HD ARG 88 4.677 -11.543 -15.881 671 2HD ARG 88 2HD ARG 88 5.924 -12.445 -16.720 672 HE ARG 88 HE ARG 88 3.030 -12.882 -16.898 673 1HH1 ARG 88 2HH1 ARG 88 2.284 -14.432 -18.402 674 2HH1 ARG 88 1HH1 ARG 88 3.393 -15.560 -19.106 675 1HH2 ARG 88 2HH2 ARG 88 6.203 -14.323 -17.381 676 2HH2 ARG 88 1HH2 ARG 88 5.638 -15.498 -18.521 677 H SER 89 H SER 89 2.544 -14.623 -12.441 678 HA SER 89 HA SER 89 -0.119 -14.000 -12.578 679 1HB SER 89 1HB SER 89 -0.363 -15.914 -10.880 680 2HB SER 89 2HB SER 89 0.480 -16.292 -12.370 681 HG SER 89 HG SER 89 2.443 -16.328 -11.317 682 H LYS 90 H LYS 90 2.282 -12.754 -10.472 683 HA LYS 90 HA LYS 90 0.747 -12.466 -8.120 684 1HB LYS 90 1HB LYS 90 3.356 -11.520 -9.165 685 2HB LYS 90 2HB LYS 90 2.610 -10.492 -7.958 686 1HG LYS 90 1HG LYS 90 2.309 -13.250 -7.120 687 2HG LYS 90 2HG LYS 90 3.986 -12.985 -7.557 688 1HD LYS 90 1HD LYS 90 3.789 -10.791 -6.121 689 2HD LYS 90 2HD LYS 90 2.337 -11.523 -5.465 690 1HE LYS 90 1HE LYS 90 3.930 -13.643 -5.119 691 2HE LYS 90 2HE LYS 90 5.206 -12.445 -5.210 692 1HZ LYS 90 3HZ LYS 90 3.590 -11.246 -3.539 693 2HZ LYS 90 1HZ LYS 90 3.174 -12.788 -3.196 694 3HZ LYS 90 2HZ LYS 90 4.727 -12.306 -3.038 695 H ILE 91 H ILE 91 0.803 -10.845 -11.226 696 HA ILE 91 HA ILE 91 -1.104 -8.904 -10.133 697 HB ILE 91 HB ILE 91 -0.097 -7.119 -11.079 698 1HG1 ILE 91 1HG1 ILE 91 1.309 -8.881 -13.108 699 2HG1 ILE 91 2HG1 ILE 91 -0.220 -8.069 -13.383 700 1HG2 ILE 91 2HG2 ILE 91 1.464 -8.124 -9.438 701 2HG2 ILE 91 3HG2 ILE 91 2.316 -8.929 -10.779 702 3HG2 ILE 91 1HG2 ILE 91 2.283 -7.152 -10.683 703 1HD1 ILE 91 2HD1 ILE 91 1.791 -6.213 -12.314 704 2HD1 ILE 91 3HD1 ILE 91 2.337 -6.992 -13.820 705 3HD1 ILE 91 1HD1 ILE 91 0.806 -6.084 -13.792 706 H THR 92 H THR 92 0.151 -10.760 -12.955 707 HA THR 92 HA THR 92 -1.606 -10.180 -14.894 708 HB THR 92 HB THR 92 0.262 -12.158 -14.374 709 HG1 THR 92 HG1 THR 92 -1.866 -12.103 -16.398 710 1HG2 THR 92 3HG2 THR 92 -1.869 -13.477 -13.420 711 2HG2 THR 92 1HG2 THR 92 -2.240 -13.674 -15.150 712 3HG2 THR 92 2HG2 THR 92 -0.710 -14.300 -14.490 713 H LYS 93 H LYS 93 -3.618 -11.153 -15.690 714 HA LYS 93 HA LYS 93 -5.736 -11.743 -15.470 715 1HB LYS 93 1HB LYS 93 -4.764 -13.754 -14.323 716 2HB LYS 93 2HB LYS 93 -5.008 -12.949 -12.786 717 1HG LYS 93 1HG LYS 93 -7.480 -12.681 -13.442 718 2HG LYS 93 2HG LYS 93 -7.155 -13.729 -14.809 719 1HD LYS 93 1HD LYS 93 -7.806 -15.348 -13.286 720 2HD LYS 93 2HD LYS 93 -6.097 -15.307 -12.903 721 1HE LYS 93 1HE LYS 93 -6.951 -13.299 -11.264 722 2HE LYS 93 2HE LYS 93 -8.425 -14.247 -11.331 723 1HZ LYS 93 1HZ LYS 93 -5.991 -15.733 -10.916 724 2HZ LYS 93 2HZ LYS 93 -6.456 -14.772 -9.681 725 3HZ LYS 93 3HZ LYS 93 -7.463 -15.930 -10.237 726 HA PRO 94 HA PRO 94 -7.225 -8.286 -13.325 727 1HB PRO 94 1HB PRO 94 -9.832 -8.382 -14.140 728 2HB PRO 94 2HB PRO 94 -8.552 -7.673 -15.105 729 1HG PRO 94 1HG PRO 94 -9.921 -10.267 -15.463 730 2HG PRO 94 2HG PRO 94 -8.968 -9.360 -16.621 731 1HD PRO 94 1HD PRO 94 -8.141 -11.689 -15.164 732 2HD PRO 94 2HD PRO 94 -7.151 -10.715 -16.234 733 H SER 95 H SER 95 -9.222 -7.609 -11.898 734 HA SER 95 HA SER 95 -9.341 -9.787 -9.985 735 1HB SER 95 1HB SER 95 -8.571 -7.288 -9.502 736 2HB SER 95 2HB SER 95 -10.293 -6.978 -9.406 737 HG SER 95 HG SER 95 -10.232 -7.765 -7.425 738 H GLU 96 H GLU 96 -11.493 -9.991 -8.738 739 HA GLU 96 HA GLU 96 -13.602 -9.910 -10.709 740 1HB GLU 96 1HB GLU 96 -12.830 -11.870 -8.953 741 2HB GLU 96 2HB GLU 96 -14.108 -11.113 -8.025 742 1HG GLU 96 1HG GLU 96 -15.223 -11.275 -10.588 743 2HG GLU 96 2HG GLU 96 -14.290 -12.755 -10.478 744 H SER 97 H SER 97 -15.679 -8.932 -10.302 745 HA SER 97 HA SER 97 -15.817 -7.304 -7.914 746 1HB SER 97 1HB SER 97 -16.416 -5.289 -9.152 747 2HB SER 97 2HB SER 97 -14.854 -5.859 -9.708 748 HG SER 97 HG SER 97 -17.333 -5.755 -11.068 749 H ILE 98 H ILE 98 -18.143 -6.286 -7.762 750 HA ILE 98 HA ILE 98 -20.110 -7.879 -9.196 751 HB ILE 98 HB ILE 98 -19.509 -9.100 -7.114 752 1HG1 ILE 98 1HG1 ILE 98 -22.338 -8.192 -6.779 753 2HG1 ILE 98 2HG1 ILE 98 -21.878 -8.886 -8.321 754 1HG2 ILE 98 3HG2 ILE 98 -20.486 -6.549 -5.833 755 2HG2 ILE 98 1HG2 ILE 98 -20.518 -8.112 -4.981 756 3HG2 ILE 98 2HG2 ILE 98 -18.971 -7.437 -5.548 757 1HD1 ILE 98 3HD1 ILE 98 -20.933 -10.885 -7.110 758 2HD1 ILE 98 1HD1 ILE 98 -21.530 -10.191 -5.583 759 3HD1 ILE 98 2HD1 ILE 98 -22.682 -10.670 -6.852 760 H ILE 99 H ILE 99 -22.395 -6.988 -8.691 761 HA ILE 99 HA ILE 99 -22.626 -4.414 -7.595 762 HB ILE 99 HB ILE 99 -21.278 -4.017 -9.737 763 1HG1 ILE 99 1HG1 ILE 99 -22.608 -2.348 -8.305 764 2HG1 ILE 99 2HG1 ILE 99 -22.165 -1.874 -9.931 765 1HG2 ILE 99 2HG2 ILE 99 -23.990 -4.640 -10.930 766 2HG2 ILE 99 3HG2 ILE 99 -22.711 -3.737 -11.774 767 3HG2 ILE 99 1HG2 ILE 99 -22.432 -5.425 -11.284 768 1HD1 ILE 99 2HD1 ILE 99 -24.790 -3.288 -9.655 769 2HD1 ILE 99 3HD1 ILE 99 -24.693 -1.648 -8.972 770 3HD1 ILE 99 1HD1 ILE 99 -24.342 -1.915 -10.696 771 H THR 100 H THR 100 -24.794 -3.938 -7.251 772 HA THR 100 HA THR 100 -26.726 -5.652 -8.654 773 HB THR 100 HB THR 100 -26.151 -6.619 -6.398 774 HG1 THR 100 HG1 THR 100 -28.326 -6.832 -7.178 775 1HG2 THR 100 2HG2 THR 100 -26.760 -3.792 -5.585 776 2HG2 THR 100 3HG2 THR 100 -27.472 -5.071 -4.571 777 3HG2 THR 100 1HG2 THR 100 -25.708 -4.990 -4.797 778 H THR 101 H THR 101 -28.785 -4.759 -9.000 779 HA THR 101 HA THR 101 -29.147 -1.995 -8.127 780 HB THR 101 HB THR 101 -29.168 -2.967 -11.033 781 HG1 THR 101 HG1 THR 101 -27.631 -1.097 -9.373 782 1HG2 THR 101 2HG2 THR 101 -30.919 -1.162 -10.421 783 2HG2 THR 101 3HG2 THR 101 -29.544 -0.129 -9.964 784 3HG2 THR 101 1HG2 THR 101 -29.717 -0.688 -11.645 785 H ILE 102 H ILE 102 -31.335 -1.287 -8.101 786 HA ILE 102 HA ILE 102 -33.291 -3.388 -8.639 787 HB ILE 102 HB ILE 102 -32.616 -3.520 -6.264 788 1HG1 ILE 102 1HG1 ILE 102 -35.456 -2.527 -6.397 789 2HG1 ILE 102 2HG1 ILE 102 -34.983 -3.973 -7.267 790 1HG2 ILE 102 3HG2 ILE 102 -32.772 -0.691 -6.400 791 2HG2 ILE 102 1HG2 ILE 102 -34.024 -1.238 -5.259 792 3HG2 ILE 102 2HG2 ILE 102 -32.327 -1.715 -5.012 793 1HD1 ILE 102 2HD1 ILE 102 -34.085 -4.952 -5.146 794 2HD1 ILE 102 3HD1 ILE 102 -34.618 -3.496 -4.273 795 3HD1 ILE 102 1HD1 ILE 102 -35.819 -4.571 -5.028 796 H ASP 103 H ASP 103 -35.583 -2.441 -8.581 797 HA ASP 103 HA ASP 103 -35.952 0.293 -8.673 798 1HB ASP 103 1HB ASP 103 -34.948 -0.910 -11.155 799 2HB ASP 103 2HB ASP 103 -36.535 -0.209 -11.405 800 H SER 104 H SER 104 -38.239 0.753 -9.774 801 HA SER 104 HA SER 104 -39.820 -1.582 -10.186 802 1HB SER 104 1HB SER 104 -39.727 -1.284 -7.653 803 2HB SER 104 2HB SER 104 -40.543 0.252 -7.862 804 HG SER 104 HG SER 104 -42.090 -1.329 -9.225 No H/Q in entry = 804 Start of MODEL 30 1 H ALA 1 H ALA 1 25.957 -5.594 -38.023 2 HA ALA 1 HA ALA 1 28.166 -5.249 -38.557 3 1HB ALA 1 2HB ALA 1 28.839 -2.616 -38.151 4 2HB ALA 1 3HB ALA 1 28.379 -3.312 -39.724 5 3HB ALA 1 1HB ALA 1 27.165 -2.466 -38.735 6 H GLU 2 H GLU 2 26.886 -2.898 -36.090 7 HA GLU 2 HA GLU 2 27.834 -4.505 -33.990 8 1HB GLU 2 1HB GLU 2 30.005 -3.510 -34.793 9 2HB GLU 2 2HB GLU 2 29.366 -1.910 -34.472 10 1HG GLU 2 1HG GLU 2 29.463 -2.169 -32.157 11 2HG GLU 2 2HG GLU 2 29.209 -3.902 -32.226 12 H GLU 3 H GLU 3 25.520 -4.155 -33.565 13 HA GLU 3 HA GLU 3 25.091 -2.214 -31.676 14 1HB GLU 3 1HB GLU 3 24.999 -1.021 -34.181 15 2HB GLU 3 2HB GLU 3 23.308 -1.381 -33.892 16 1HG GLU 3 1HG GLU 3 24.020 -0.378 -31.432 17 2HG GLU 3 2HG GLU 3 25.117 0.521 -32.463 18 H SER 4 H SER 4 22.549 -2.014 -31.229 19 HA SER 4 HA SER 4 20.804 -3.798 -32.333 20 1HB SER 4 1HB SER 4 22.723 -5.218 -30.865 21 2HB SER 4 2HB SER 4 21.380 -5.088 -29.745 22 HG SER 4 HG SER 4 20.619 -6.774 -30.838 23 H SER 5 H SER 5 18.785 -4.058 -30.899 24 HA SER 5 HA SER 5 18.571 -2.838 -28.459 25 1HB SER 5 1HB SER 5 17.369 -0.714 -29.087 26 2HB SER 5 2HB SER 5 19.077 -0.700 -29.476 27 HG SER 5 HG SER 5 16.819 -0.881 -31.227 28 H LYS 6 H LYS 6 16.278 -2.770 -27.725 29 HA LYS 6 HA LYS 6 14.214 -3.471 -29.544 30 1HB LYS 6 1HB LYS 6 13.727 -5.709 -28.654 31 2HB LYS 6 2HB LYS 6 15.266 -5.652 -29.492 32 1HG LYS 6 1HG LYS 6 16.457 -5.431 -27.309 33 2HG LYS 6 2HG LYS 6 14.924 -5.458 -26.460 34 1HD LYS 6 1HD LYS 6 14.464 -7.743 -27.447 35 2HD LYS 6 2HD LYS 6 16.054 -7.716 -28.181 36 1HE LYS 6 1HE LYS 6 16.151 -7.065 -25.303 37 2HE LYS 6 2HE LYS 6 15.438 -8.638 -25.598 38 1HZ LYS 6 3HZ LYS 6 17.465 -8.823 -27.201 39 2HZ LYS 6 1HZ LYS 6 18.116 -7.716 -26.190 40 3HZ LYS 6 2HZ LYS 6 17.617 -9.159 -25.610 41 H ALA 7 H ALA 7 12.215 -4.289 -27.993 42 HA ALA 7 HA ALA 7 12.059 -2.155 -26.027 43 1HB ALA 7 1HB ALA 7 10.165 -3.815 -27.636 44 2HB ALA 7 3HB ALA 7 10.130 -2.075 -27.266 45 3HB ALA 7 2HB ALA 7 9.597 -3.256 -26.045 46 H VAL 8 H VAL 8 11.861 -2.477 -23.816 47 HA VAL 8 HA VAL 8 13.059 -4.376 -22.489 48 HB VAL 8 HB VAL 8 12.220 -3.113 -20.886 49 1HG1 VAL 8 2HG1 VAL 8 10.158 -2.394 -22.962 50 2HG1 VAL 8 3HG1 VAL 8 10.006 -1.801 -21.290 51 3HG1 VAL 8 1HG1 VAL 8 11.447 -1.393 -22.251 52 1HG2 VAL 8 1HG2 VAL 8 10.889 -5.264 -20.542 53 2HG2 VAL 8 2HG2 VAL 8 10.261 -3.800 -19.748 54 3HG2 VAL 8 3HG2 VAL 8 9.502 -4.398 -21.244 55 H LYS 9 H LYS 9 9.507 -4.709 -23.221 56 HA LYS 9 HA LYS 9 8.378 -6.514 -23.898 57 1HB LYS 9 1HB LYS 9 10.956 -7.276 -24.602 58 2HB LYS 9 2HB LYS 9 10.413 -8.592 -23.582 59 1HG LYS 9 1HG LYS 9 8.720 -7.472 -25.858 60 2HG LYS 9 2HG LYS 9 9.850 -8.792 -26.085 61 1HD LYS 9 1HD LYS 9 8.642 -10.049 -24.221 62 2HD LYS 9 2HD LYS 9 7.448 -8.767 -24.199 63 1HE LYS 9 1HE LYS 9 7.965 -9.786 -26.927 64 2HE LYS 9 2HE LYS 9 7.386 -11.033 -25.843 65 1HZ LYS 9 1HZ LYS 9 5.842 -8.854 -25.314 66 2HZ LYS 9 2HZ LYS 9 5.978 -8.861 -26.942 67 3HZ LYS 9 3HZ LYS 9 5.397 -10.174 -26.165 68 H TYR 10 H TYR 10 10.800 -7.258 -21.302 69 HA TYR 10 HA TYR 10 8.530 -7.911 -19.573 70 1HB TYR 10 1HB TYR 10 10.742 -9.624 -18.943 71 2HB TYR 10 2HB TYR 10 9.230 -10.125 -19.673 72 HD1 TYR 10 HD1 TYR 10 12.560 -8.675 -20.596 73 HD2 TYR 10 HD2 TYR 10 9.245 -11.099 -21.797 74 HE1 TYR 10 HE1 TYR 10 13.795 -9.325 -22.721 75 HE2 TYR 10 HE2 TYR 10 10.491 -11.738 -23.920 76 HH TYR 10 HH TYR 10 13.637 -10.296 -24.667 77 H TYR 11 H TYR 11 8.678 -6.907 -17.622 78 HA TYR 11 HA TYR 11 11.358 -6.176 -16.688 79 1HB TYR 11 1HB TYR 11 9.097 -4.521 -17.629 80 2HB TYR 11 2HB TYR 11 9.423 -4.173 -15.943 81 HD1 TYR 11 HD1 TYR 11 9.743 -2.243 -18.281 82 HD2 TYR 11 HD2 TYR 11 12.519 -4.859 -16.342 83 HE1 TYR 11 HE1 TYR 11 11.663 -0.722 -18.962 84 HE2 TYR 11 HE2 TYR 11 14.429 -3.328 -17.030 85 HH TYR 11 HH TYR 11 15.003 -1.509 -18.030 86 H THR 12 H THR 12 11.107 -5.252 -14.304 87 HA THR 12 HA THR 12 9.320 -7.133 -12.916 88 HB THR 12 HB THR 12 11.006 -7.171 -11.185 89 HG1 THR 12 HG1 THR 12 12.831 -5.530 -11.565 90 1HG2 THR 12 2HG2 THR 12 12.515 -6.841 -13.833 91 2HG2 THR 12 3HG2 THR 12 13.145 -7.624 -12.364 92 3HG2 THR 12 1HG2 THR 12 11.798 -8.366 -13.258 93 H LEU 13 H LEU 13 8.081 -6.455 -11.124 94 HA LEU 13 HA LEU 13 6.746 -4.111 -11.421 95 1HB LEU 13 1HB LEU 13 7.102 -6.108 -9.287 96 2HB LEU 13 2HB LEU 13 6.556 -4.538 -8.734 97 HG LEU 13 HG LEU 13 5.199 -6.355 -10.737 98 1HD1 LEU 13 1HD1 LEU 13 5.079 -6.384 -8.006 99 2HD1 LEU 13 2HD1 LEU 13 3.709 -5.325 -8.418 100 3HD1 LEU 13 3HD1 LEU 13 3.799 -6.968 -9.097 101 1HD2 LEU 13 2HD2 LEU 13 4.664 -3.463 -10.076 102 2HD2 LEU 13 3HD2 LEU 13 4.816 -4.245 -11.668 103 3HD2 LEU 13 1HD2 LEU 13 3.379 -4.546 -10.662 104 H GLU 14 H GLU 14 9.825 -4.715 -9.699 105 HA GLU 14 HA GLU 14 9.929 -2.304 -8.360 106 1HB GLU 14 1HB GLU 14 11.646 -4.559 -8.836 107 2HB GLU 14 2HB GLU 14 12.584 -3.114 -9.153 108 1HG GLU 14 1HG GLU 14 12.881 -2.997 -6.897 109 2HG GLU 14 2HG GLU 14 11.233 -2.404 -6.831 110 H GLU 15 H GLU 15 11.278 -3.268 -11.590 111 HA GLU 15 HA GLU 15 12.466 -0.882 -12.178 112 1HB GLU 15 1HB GLU 15 12.750 -2.975 -13.484 113 2HB GLU 15 2HB GLU 15 11.107 -2.843 -14.079 114 1HG GLU 15 1HG GLU 15 12.166 -1.802 -15.846 115 2HG GLU 15 2HG GLU 15 11.968 -0.393 -14.823 116 H ILE 16 H ILE 16 9.049 -1.936 -12.602 117 HA ILE 16 HA ILE 16 8.295 0.423 -13.996 118 HB ILE 16 HB ILE 16 6.520 -1.522 -12.527 119 1HG1 ILE 16 1HG1 ILE 16 6.896 -1.984 -15.396 120 2HG1 ILE 16 2HG1 ILE 16 8.368 -2.227 -14.475 121 1HG2 ILE 16 1HG2 ILE 16 6.094 0.729 -14.364 122 2HG2 ILE 16 2HG2 ILE 16 5.249 -0.767 -14.834 123 3HG2 ILE 16 3HG2 ILE 16 4.978 -0.059 -13.223 124 1HD1 ILE 16 1HD1 ILE 16 6.029 -3.372 -13.104 125 2HD1 ILE 16 2HD1 ILE 16 6.265 -4.058 -14.730 126 3HD1 ILE 16 3HD1 ILE 16 7.578 -4.137 -13.530 127 H GLN 17 H GLN 17 8.531 -0.595 -10.594 128 HA GLN 17 HA GLN 17 6.909 1.412 -9.561 129 1HB GLN 17 1HB GLN 17 8.072 -0.775 -8.509 130 2HB GLN 17 2HB GLN 17 9.264 0.398 -7.988 131 1HG GLN 17 1HG GLN 17 6.546 1.400 -7.521 132 2HG GLN 17 2HG GLN 17 6.776 -0.160 -6.753 133 1HE2 GLN 17 1HE2 GLN 17 8.789 -0.445 -5.486 134 2HE2 GLN 17 2HE2 GLN 17 9.363 0.876 -4.526 135 H LYS 18 H LYS 18 10.405 1.256 -10.384 136 HA LYS 18 HA LYS 18 11.109 3.686 -9.177 137 1HB LYS 18 1HB LYS 18 12.382 2.213 -11.504 138 2HB LYS 18 2HB LYS 18 13.124 3.516 -10.598 139 1HG LYS 18 1HG LYS 18 12.881 2.147 -8.490 140 2HG LYS 18 2HG LYS 18 12.229 0.833 -9.447 141 1HD LYS 18 1HD LYS 18 14.370 0.124 -9.724 142 2HD LYS 18 2HD LYS 18 14.579 1.476 -10.819 143 1HE LYS 18 1HE LYS 18 15.225 2.917 -8.826 144 2HE LYS 18 2HE LYS 18 15.142 1.488 -7.816 145 1HZ LYS 18 1HZ LYS 18 16.686 0.749 -9.916 146 2HZ LYS 18 2HZ LYS 18 17.176 2.274 -9.605 147 3HZ LYS 18 3HZ LYS 18 17.219 1.147 -8.425 148 H HIS 19 H HIS 19 9.529 2.839 -12.239 149 HA HIS 19 HA HIS 19 9.829 5.573 -13.167 150 1HB HIS 19 1HB HIS 19 8.932 2.987 -14.407 151 2HB HIS 19 2HB HIS 19 8.461 4.507 -15.141 152 HD1 HIS 19 HD1 HIS 19 9.977 4.999 -17.053 153 HD2 HIS 19 HD2 HIS 19 12.036 3.290 -13.822 154 HE1 HIS 19 HE1 HIS 19 12.431 4.900 -17.742 155 HE2 HIS 19 HE2 HIS 19 13.655 3.892 -15.697 156 H ASN 20 H ASN 20 8.529 6.766 -11.721 157 HA ASN 20 HA ASN 20 5.701 6.281 -12.135 158 1HB ASN 20 1HB ASN 20 5.880 5.377 -9.949 159 2HB ASN 20 2HB ASN 20 7.179 6.461 -9.496 160 1HD2 ASN 20 1HD2 ASN 20 3.861 6.753 -10.773 161 2HD2 ASN 20 2HD2 ASN 20 3.293 7.933 -9.639 162 H ASN 21 H ASN 21 8.018 8.207 -12.978 163 HA ASN 21 HA ASN 21 6.932 10.662 -11.869 164 1HB ASN 21 1HB ASN 21 9.467 10.233 -13.536 165 2HB ASN 21 2HB ASN 21 9.005 11.728 -12.745 166 1HD2 ASN 21 1HD2 ASN 21 8.616 11.599 -10.372 167 2HD2 ASN 21 2HD2 ASN 21 9.687 10.632 -9.413 168 H SER 22 H SER 22 6.648 12.511 -13.502 169 HA SER 22 HA SER 22 5.092 11.684 -15.623 170 1HB SER 22 1HB SER 22 5.232 13.977 -14.359 171 2HB SER 22 2HB SER 22 6.468 14.385 -15.532 172 HG SER 22 HG SER 22 4.729 15.038 -16.646 173 H LYS 23 H LYS 23 8.508 11.738 -15.262 174 HA LYS 23 HA LYS 23 8.958 12.045 -18.129 175 1HB LYS 23 1HB LYS 23 10.325 13.100 -16.067 176 2HB LYS 23 2HB LYS 23 11.204 11.592 -16.223 177 1HG LYS 23 1HG LYS 23 12.334 12.473 -17.977 178 2HG LYS 23 2HG LYS 23 10.838 12.517 -18.888 179 1HD LYS 23 1HD LYS 23 10.958 14.739 -16.975 180 2HD LYS 23 2HD LYS 23 12.364 14.740 -18.020 181 1HE LYS 23 1HE LYS 23 10.684 14.426 -19.991 182 2HE LYS 23 2HE LYS 23 9.433 14.850 -18.840 183 1HZ LYS 23 3HZ LYS 23 11.302 16.747 -18.461 184 2HZ LYS 23 1HZ LYS 23 11.368 16.519 -20.077 185 3HZ LYS 23 2HZ LYS 23 9.953 16.920 -19.364 186 H SER 24 H SER 24 8.531 9.662 -15.626 187 HA SER 24 HA SER 24 9.095 7.638 -17.604 188 1HB SER 24 1HB SER 24 10.734 8.122 -15.200 189 2HB SER 24 2HB SER 24 10.114 6.483 -15.262 190 HG SER 24 HG SER 24 11.716 7.845 -17.245 191 H THR 25 H THR 25 6.619 7.922 -17.391 192 HA THR 25 HA THR 25 5.529 6.765 -14.951 193 HB THR 25 HB THR 25 3.922 7.613 -17.378 194 HG1 THR 25 HG1 THR 25 4.879 9.594 -17.152 195 1HG2 THR 25 2HG2 THR 25 3.655 7.961 -14.347 196 2HG2 THR 25 3HG2 THR 25 2.542 8.681 -15.534 197 3HG2 THR 25 1HG2 THR 25 2.658 6.911 -15.381 198 H TRP 26 H TRP 26 6.055 4.606 -14.897 199 HA TRP 26 HA TRP 26 5.121 3.057 -17.216 200 1HB TRP 26 1HB TRP 26 7.285 2.438 -15.199 201 2HB TRP 26 2HB TRP 26 6.681 1.298 -16.385 202 HD1 TRP 26 HD1 TRP 26 6.771 4.553 -18.102 203 HE1 TRP 26 HE1 TRP 26 8.916 4.911 -19.598 204 HE3 TRP 26 HE3 TRP 26 9.432 0.693 -16.134 205 HZ2 TRP 26 HZ2 TRP 26 11.428 3.571 -19.786 206 HZ3 TRP 26 HZ3 TRP 26 11.722 0.286 -17.028 207 HH2 TRP 26 HH2 TRP 26 12.725 1.650 -18.792 208 H LEU 27 H LEU 27 3.656 1.352 -16.817 209 HA LEU 27 HA LEU 27 3.022 0.693 -14.080 210 1HB LEU 27 1HB LEU 27 0.880 1.478 -13.981 211 2HB LEU 27 2HB LEU 27 1.711 2.793 -14.790 212 HG LEU 27 HG LEU 27 -0.259 2.604 -15.991 213 1HD1 LEU 27 3HD1 LEU 27 1.988 2.269 -17.335 214 2HD1 LEU 27 1HD1 LEU 27 1.258 0.691 -17.717 215 3HD1 LEU 27 2HD1 LEU 27 0.404 2.194 -18.141 216 1HD2 LEU 27 2HD2 LEU 27 -0.413 0.044 -14.912 217 2HD2 LEU 27 3HD2 LEU 27 -1.612 0.838 -15.959 218 3HD2 LEU 27 1HD2 LEU 27 -0.371 -0.221 -16.672 219 H ILE 28 H ILE 28 1.314 -1.121 -14.060 220 HA ILE 28 HA ILE 28 1.873 -2.823 -16.378 221 HB ILE 28 HB ILE 28 0.778 -3.953 -13.869 222 1HG1 ILE 28 1HG1 ILE 28 2.357 -2.326 -12.967 223 2HG1 ILE 28 2HG1 ILE 28 2.943 -3.962 -12.745 224 1HG2 ILE 28 1HG2 ILE 28 2.837 -4.776 -15.924 225 2HG2 ILE 28 2HG2 ILE 28 2.524 -5.690 -14.428 226 3HG2 ILE 28 3HG2 ILE 28 1.227 -5.475 -15.629 227 1HD1 ILE 28 3HD1 ILE 28 3.775 -2.231 -15.111 228 2HD1 ILE 28 1HD1 ILE 28 4.680 -2.291 -13.581 229 3HD1 ILE 28 2HD1 ILE 28 4.513 -3.759 -14.572 230 H LEU 29 H LEU 29 0.232 -3.582 -17.658 231 HA LEU 29 HA LEU 29 -2.493 -3.228 -16.684 232 1HB LEU 29 1HB LEU 29 -1.242 -1.485 -18.540 233 2HB LEU 29 2HB LEU 29 -2.383 -2.465 -19.442 234 HG LEU 29 HG LEU 29 -2.856 -0.329 -17.466 235 1HD1 LEU 29 2HD1 LEU 29 -4.440 -1.478 -19.779 236 2HD1 LEU 29 3HD1 LEU 29 -4.921 -0.059 -18.817 237 3HD1 LEU 29 1HD1 LEU 29 -3.427 -0.014 -19.784 238 1HD2 LEU 29 3HD2 LEU 29 -4.325 -2.946 -17.297 239 2HD2 LEU 29 1HD2 LEU 29 -3.727 -1.891 -15.994 240 3HD2 LEU 29 2HD2 LEU 29 -5.158 -1.416 -16.939 241 H HIS 30 H HIS 30 -3.352 -5.227 -16.757 242 HA HIS 30 HA HIS 30 -3.896 -7.230 -17.465 243 1HB HIS 30 1HB HIS 30 -3.042 -6.793 -20.281 244 2HB HIS 30 2HB HIS 30 -4.515 -7.498 -19.647 245 HD1 HIS 30 HD1 HIS 30 -4.843 -4.719 -17.759 246 HD2 HIS 30 HD2 HIS 30 -4.732 -5.143 -21.931 247 HE1 HIS 30 HE1 HIS 30 -6.010 -2.662 -18.718 248 HE2 HIS 30 HE2 HIS 30 -5.863 -2.951 -21.284 249 H TYR 31 H TYR 31 -1.340 -6.871 -16.306 250 HA TYR 31 HA TYR 31 0.447 -8.142 -15.903 251 1HB TYR 31 1HB TYR 31 0.011 -9.756 -18.436 252 2HB TYR 31 2HB TYR 31 0.467 -10.339 -16.848 253 HD1 TYR 31 HD1 TYR 31 -1.706 -11.426 -18.777 254 HD2 TYR 31 HD2 TYR 31 -1.863 -8.812 -15.394 255 HE1 TYR 31 HE1 TYR 31 -4.111 -12.128 -18.338 256 HE2 TYR 31 HE2 TYR 31 -4.267 -9.520 -14.968 257 HH TYR 31 HH TYR 31 -5.623 -12.223 -16.358 258 H LYS 32 H LYS 32 -0.063 -6.149 -18.481 259 HA LYS 32 HA LYS 32 2.615 -6.597 -19.588 260 1HB LYS 32 1HB LYS 32 0.676 -4.737 -20.883 261 2HB LYS 32 2HB LYS 32 1.882 -5.784 -21.602 262 1HG LYS 32 1HG LYS 32 -0.724 -6.728 -20.311 263 2HG LYS 32 2HG LYS 32 -0.442 -6.596 -22.036 264 1HD LYS 32 1HD LYS 32 1.643 -8.164 -21.541 265 2HD LYS 32 2HD LYS 32 0.781 -8.544 -20.065 266 1HE LYS 32 1HE LYS 32 -1.283 -8.990 -21.616 267 2HE LYS 32 2HE LYS 32 -0.126 -9.005 -22.932 268 1HZ LYS 32 3HZ LYS 32 0.801 -10.575 -20.796 269 2HZ LYS 32 1HZ LYS 32 -0.696 -11.060 -21.229 270 3HZ LYS 32 2HZ LYS 32 0.500 -11.017 -22.340 271 H VAL 33 H VAL 33 3.563 -4.312 -20.391 272 HA VAL 33 HA VAL 33 3.172 -2.410 -18.189 273 HB VAL 33 HB VAL 33 5.816 -3.241 -19.399 274 1HG1 VAL 33 1HG1 VAL 33 5.482 -0.844 -18.507 275 2HG1 VAL 33 2HG1 VAL 33 5.405 -1.600 -16.897 276 3HG1 VAL 33 3HG1 VAL 33 6.869 -1.779 -17.895 277 1HG2 VAL 33 3HG2 VAL 33 4.277 -4.635 -17.514 278 2HG2 VAL 33 1HG2 VAL 33 6.004 -4.866 -17.876 279 3HG2 VAL 33 2HG2 VAL 33 5.509 -3.776 -16.560 280 H TYR 34 H TYR 34 2.939 -0.300 -18.826 281 HA TYR 34 HA TYR 34 3.620 0.306 -21.618 282 1HB TYR 34 1HB TYR 34 1.193 1.334 -20.045 283 2HB TYR 34 2HB TYR 34 1.431 1.421 -21.779 284 HD1 TYR 34 HD1 TYR 34 0.252 -0.075 -23.104 285 HD2 TYR 34 HD2 TYR 34 1.194 -1.185 -19.082 286 HE1 TYR 34 HE1 TYR 34 -1.060 -2.233 -23.385 287 HE2 TYR 34 HE2 TYR 34 -0.121 -3.340 -19.377 288 HH TYR 34 HH TYR 34 -1.974 -3.934 -22.315 289 H ASP 35 H ASP 35 3.901 2.654 -22.039 290 HA ASP 35 HA ASP 35 5.028 3.878 -19.667 291 1HB ASP 35 1HB ASP 35 5.749 3.749 -22.468 292 2HB ASP 35 2HB ASP 35 5.490 5.431 -22.053 293 H LEU 36 H LEU 36 3.193 4.889 -18.680 294 HA LEU 36 HA LEU 36 1.100 6.075 -20.046 295 1HB LEU 36 1HB LEU 36 2.227 6.604 -17.295 296 2HB LEU 36 2HB LEU 36 0.715 7.271 -17.880 297 HG LEU 36 HG LEU 36 1.359 4.336 -17.491 298 1HD1 LEU 36 2HD1 LEU 36 0.536 6.277 -15.648 299 2HD1 LEU 36 3HD1 LEU 36 -0.932 5.352 -16.044 300 3HD1 LEU 36 1HD1 LEU 36 0.515 4.509 -15.444 301 1HD2 LEU 36 1HD2 LEU 36 -0.629 5.608 -19.165 302 2HD2 LEU 36 2HD2 LEU 36 -0.223 3.884 -18.982 303 3HD2 LEU 36 3HD2 LEU 36 -1.399 4.643 -17.882 304 H THR 37 H THR 37 4.399 7.143 -19.513 305 HA THR 37 HA THR 37 4.321 9.822 -19.500 306 HB THR 37 HB THR 37 6.042 8.003 -21.265 307 HG1 THR 37 HG1 THR 37 7.375 8.278 -19.237 308 1HG2 THR 37 2HG2 THR 37 6.382 10.858 -20.234 309 2HG2 THR 37 3HG2 THR 37 7.776 9.840 -20.665 310 3HG2 THR 37 1HG2 THR 37 6.573 10.273 -21.905 311 H LYS 38 H LYS 38 3.117 7.747 -22.085 312 HA LYS 38 HA LYS 38 2.820 10.077 -23.812 313 1HB LYS 38 1HB LYS 38 3.791 7.910 -24.664 314 2HB LYS 38 2HB LYS 38 2.220 7.171 -24.423 315 1HG LYS 38 1HG LYS 38 1.899 9.689 -25.853 316 2HG LYS 38 2HG LYS 38 3.096 8.703 -26.668 317 1HD LYS 38 1HD LYS 38 1.572 6.921 -27.044 318 2HD LYS 38 2HD LYS 38 0.492 7.440 -25.766 319 1HE LYS 38 1HE LYS 38 -0.737 8.306 -27.504 320 2HE LYS 38 2HE LYS 38 0.375 9.653 -27.364 321 1HZ LYS 38 1HZ LYS 38 0.754 7.347 -29.148 322 2HZ LYS 38 2HZ LYS 38 0.227 8.822 -29.613 323 3HZ LYS 38 3HZ LYS 38 1.746 8.640 -29.041 324 H PHE 39 H PHE 39 0.927 7.515 -22.111 325 HA PHE 39 HA PHE 39 -1.558 8.606 -22.972 326 1HB PHE 39 1HB PHE 39 -0.935 6.793 -20.575 327 2HB PHE 39 2HB PHE 39 -2.426 6.831 -21.497 328 HD1 PHE 39 HD1 PHE 39 -0.885 4.346 -20.906 329 HD2 PHE 39 HD2 PHE 39 -0.662 7.028 -24.187 330 HE1 PHE 39 HE1 PHE 39 -0.028 2.492 -22.364 331 HE2 PHE 39 HE2 PHE 39 0.193 5.173 -25.645 332 HZ PHE 39 HZ PHE 39 0.499 2.927 -24.716 333 H LEU 40 H LEU 40 0.709 9.953 -21.014 334 HA LEU 40 HA LEU 40 -0.708 10.555 -18.673 335 1HB LEU 40 1HB LEU 40 1.833 10.870 -19.558 336 2HB LEU 40 2HB LEU 40 1.250 12.517 -19.693 337 HG LEU 40 HG LEU 40 0.387 11.745 -17.167 338 1HD1 LEU 40 1HD1 LEU 40 2.045 9.746 -17.681 339 2HD1 LEU 40 2HD1 LEU 40 3.263 10.945 -17.178 340 3HD1 LEU 40 3HD1 LEU 40 1.946 10.493 -16.068 341 1HD2 LEU 40 3HD2 LEU 40 1.420 13.909 -18.024 342 2HD2 LEU 40 1HD2 LEU 40 1.842 13.412 -16.367 343 3HD2 LEU 40 2HD2 LEU 40 3.000 13.159 -17.694 344 H GLU 41 H GLU 41 -0.391 12.247 -21.851 345 HA GLU 41 HA GLU 41 -2.011 14.390 -21.003 346 1HB GLU 41 1HB GLU 41 -0.349 13.788 -23.219 347 2HB GLU 41 2HB GLU 41 -1.948 14.019 -23.900 348 1HG GLU 41 1HG GLU 41 -1.315 16.038 -21.844 349 2HG GLU 41 2HG GLU 41 -0.155 16.050 -23.156 350 H GLU 42 H GLU 42 -2.633 12.038 -23.708 351 HA GLU 42 HA GLU 42 -5.281 12.498 -23.911 352 1HB GLU 42 1HB GLU 42 -3.742 9.902 -24.329 353 2HB GLU 42 2HB GLU 42 -5.401 10.126 -24.845 354 1HG GLU 42 1HG GLU 42 -3.122 11.967 -25.704 355 2HG GLU 42 2HG GLU 42 -3.633 10.575 -26.636 356 H HIS 43 H HIS 43 -6.796 12.518 -22.302 357 HA HIS 43 HA HIS 43 -7.691 10.270 -21.075 358 1HB HIS 43 1HB HIS 43 -5.232 10.981 -19.910 359 2HB HIS 43 2HB HIS 43 -6.447 11.514 -18.766 360 HD1 HIS 43 HD1 HIS 43 -4.592 8.561 -19.789 361 HD2 HIS 43 HD2 HIS 43 -8.344 9.302 -18.065 362 HE1 HIS 43 HE1 HIS 43 -5.349 6.357 -18.748 363 HE2 HIS 43 HE2 HIS 43 -7.634 6.888 -17.658 364 HA PRO 44 HA PRO 44 -10.570 13.454 -20.361 365 1HB PRO 44 1HB PRO 44 -12.662 11.905 -19.530 366 2HB PRO 44 2HB PRO 44 -12.291 12.187 -21.219 367 1HG PRO 44 1HG PRO 44 -11.818 9.761 -19.597 368 2HG PRO 44 2HG PRO 44 -11.853 9.926 -21.342 369 1HD PRO 44 1HD PRO 44 -9.522 9.677 -19.691 370 2HD PRO 44 2HD PRO 44 -9.556 9.958 -21.421 371 H GLY 45 H GLY 45 -8.878 11.814 -18.135 372 1HA GLY 45 2HA GLY 45 -9.270 11.682 -15.780 373 2HA GLY 45 1HA GLY 45 -10.331 13.073 -15.892 374 H GLY 46 H GLY 46 -6.967 12.314 -17.068 375 1HA GLY 46 2HA GLY 46 -5.877 14.409 -15.380 376 2HA GLY 46 1HA GLY 46 -5.839 14.740 -17.102 377 H GLU 47 H GLU 47 -3.428 14.557 -15.752 378 HA GLU 47 HA GLU 47 -2.317 12.266 -17.068 379 1HB GLU 47 1HB GLU 47 -1.128 14.690 -15.674 380 2HB GLU 47 2HB GLU 47 -0.120 13.360 -16.208 381 1HG GLU 47 1HG GLU 47 -0.487 13.794 -18.473 382 2HG GLU 47 2HG GLU 47 -2.081 14.469 -18.203 383 H GLU 48 H GLU 48 -2.628 13.612 -13.731 384 HA GLU 48 HA GLU 48 -1.082 11.879 -12.374 385 1HB GLU 48 1HB GLU 48 -2.951 13.820 -11.729 386 2HB GLU 48 2HB GLU 48 -3.703 12.379 -11.074 387 1HG GLU 48 1HG GLU 48 -2.107 12.123 -9.440 388 2HG GLU 48 2HG GLU 48 -0.791 12.571 -10.507 389 H VAL 49 H VAL 49 -4.541 11.393 -13.355 390 HA VAL 49 HA VAL 49 -5.178 9.090 -12.195 391 HB VAL 49 HB VAL 49 -6.560 10.350 -13.776 392 1HG1 VAL 49 3HG1 VAL 49 -4.468 10.260 -15.496 393 2HG1 VAL 49 1HG1 VAL 49 -5.474 8.951 -16.158 394 3HG1 VAL 49 2HG1 VAL 49 -6.145 10.590 -15.992 395 1HG2 VAL 49 1HG2 VAL 49 -6.338 7.448 -13.649 396 2HG2 VAL 49 2HG2 VAL 49 -7.785 8.485 -13.622 397 3HG2 VAL 49 3HG2 VAL 49 -7.072 7.989 -15.178 398 H LEU 50 H LEU 50 -2.710 9.544 -14.723 399 HA LEU 50 HA LEU 50 -2.324 6.666 -14.887 400 1HB LEU 50 1HB LEU 50 -0.950 8.902 -16.383 401 2HB LEU 50 2HB LEU 50 -0.811 7.187 -16.710 402 HG LEU 50 HG LEU 50 -3.518 7.528 -16.900 403 1HD1 LEU 50 2HD1 LEU 50 -2.861 10.085 -16.658 404 2HD1 LEU 50 3HD1 LEU 50 -2.548 9.918 -18.402 405 3HD1 LEU 50 1HD1 LEU 50 -4.162 9.546 -17.746 406 1HD2 LEU 50 2HD2 LEU 50 -1.333 7.638 -18.977 407 2HD2 LEU 50 3HD2 LEU 50 -2.371 6.269 -18.511 408 3HD2 LEU 50 1HD2 LEU 50 -3.059 7.640 -19.415 409 H ARG 51 H ARG 51 -0.786 9.671 -13.684 410 HA ARG 51 HA ARG 51 1.648 8.483 -13.076 411 1HB ARG 51 1HB ARG 51 0.904 11.020 -13.163 412 2HB ARG 51 2HB ARG 51 0.473 10.790 -11.480 413 1HG ARG 51 1HG ARG 51 3.071 9.638 -11.793 414 2HG ARG 51 2HG ARG 51 3.111 11.164 -12.656 415 1HD ARG 51 1HD ARG 51 1.971 10.968 -9.837 416 2HD ARG 51 2HD ARG 51 3.686 11.197 -10.113 417 HE ARG 51 HE ARG 51 1.564 13.172 -10.561 418 1HH1 ARG 51 2HH1 ARG 51 2.195 15.286 -11.156 419 2HH1 ARG 51 1HH1 ARG 51 3.814 15.588 -11.695 420 1HH2 ARG 51 2HH2 ARG 51 4.863 12.242 -11.359 421 2HH2 ARG 51 1HH2 ARG 51 5.341 13.844 -11.810 422 H GLU 52 H GLU 52 -1.420 8.948 -11.239 423 HA GLU 52 HA GLU 52 -0.424 8.119 -8.785 424 1HB GLU 52 1HB GLU 52 -2.791 7.875 -8.145 425 2HB GLU 52 2HB GLU 52 -2.549 9.352 -9.058 426 1HG GLU 52 1HG GLU 52 -3.674 8.544 -10.944 427 2HG GLU 52 2HG GLU 52 -3.267 6.873 -10.611 428 H GLN 53 H GLN 53 -0.988 6.386 -11.708 429 HA GLN 53 HA GLN 53 -1.221 3.894 -10.218 430 1HB GLN 53 1HB GLN 53 -1.922 2.912 -12.430 431 2HB GLN 53 2HB GLN 53 -3.008 4.150 -11.831 432 1HG GLN 53 1HG GLN 53 -1.865 5.843 -13.292 433 2HG GLN 53 2HG GLN 53 -0.808 4.588 -13.907 434 1HE2 GLN 53 1HE2 GLN 53 -3.995 5.940 -13.892 435 2HE2 GLN 53 2HE2 GLN 53 -4.676 5.019 -15.191 436 H ALA 54 H ALA 54 0.874 5.894 -12.170 437 HA ALA 54 HA ALA 54 2.516 3.874 -13.241 438 1HB ALA 54 1HB ALA 54 2.252 6.627 -13.455 439 2HB ALA 54 3HB ALA 54 3.550 5.652 -14.183 440 3HB ALA 54 2HB ALA 54 3.808 6.446 -12.611 441 H GLY 55 H GLY 55 4.046 2.603 -12.302 442 1HA GLY 55 2HA GLY 55 4.962 3.381 -9.598 443 2HA GLY 55 1HA GLY 55 5.967 2.586 -10.793 444 H GLY 56 H GLY 56 3.147 1.145 -11.498 445 1HA GLY 56 2HA GLY 56 2.632 -0.539 -9.276 446 2HA GLY 56 1HA GLY 56 3.751 -1.319 -10.376 447 H ASP 57 H ASP 57 1.509 -2.694 -10.214 448 HA ASP 57 HA ASP 57 0.466 -2.567 -12.781 449 1HB ASP 57 1HB ASP 57 -0.075 -4.669 -12.135 450 2HB ASP 57 2HB ASP 57 0.308 -4.278 -10.471 451 H ALA 58 H ALA 58 -1.477 -1.621 -13.566 452 HA ALA 58 HA ALA 58 -3.067 -0.163 -11.567 453 1HB ALA 58 2HB ALA 58 -1.535 1.052 -13.378 454 2HB ALA 58 3HB ALA 58 -2.920 0.701 -14.439 455 3HB ALA 58 1HB ALA 58 -3.152 1.676 -12.970 456 H THR 59 H THR 59 -2.922 -2.675 -13.906 457 HA THR 59 HA THR 59 -5.377 -2.588 -15.142 458 HB THR 59 HB THR 59 -3.227 -4.273 -15.100 459 HG1 THR 59 HG1 THR 59 -5.104 -5.740 -16.130 460 1HG2 THR 59 3HG2 THR 59 -4.291 -5.291 -12.897 461 2HG2 THR 59 1HG2 THR 59 -5.487 -5.991 -14.014 462 3HG2 THR 59 2HG2 THR 59 -3.763 -6.400 -14.186 463 H GLU 60 H GLU 60 -4.575 -3.600 -11.798 464 HA GLU 60 HA GLU 60 -6.977 -4.774 -11.207 465 1HB GLU 60 1HB GLU 60 -6.385 -4.409 -8.864 466 2HB GLU 60 2HB GLU 60 -4.942 -4.829 -9.765 467 1HG GLU 60 1HG GLU 60 -3.989 -2.942 -8.936 468 2HG GLU 60 2HG GLU 60 -5.051 -2.029 -9.991 469 H ASN 61 H ASN 61 -6.126 -1.376 -11.639 470 HA ASN 61 HA ASN 61 -8.589 -0.547 -10.388 471 1HB ASN 61 1HB ASN 61 -6.023 0.636 -10.762 472 2HB ASN 61 2HB ASN 61 -7.099 1.563 -11.788 473 1HD2 ASN 61 1HD2 ASN 61 -6.024 0.939 -8.639 474 2HD2 ASN 61 2HD2 ASN 61 -7.120 1.943 -7.748 475 H PHE 62 H PHE 62 -6.795 -0.304 -13.549 476 HA PHE 62 HA PHE 62 -8.661 1.004 -15.037 477 1HB PHE 62 1HB PHE 62 -6.839 0.550 -16.396 478 2HB PHE 62 2HB PHE 62 -6.338 -0.763 -15.350 479 HD1 PHE 62 HD1 PHE 62 -8.007 0.127 -18.436 480 HD2 PHE 62 HD2 PHE 62 -7.202 -3.058 -15.750 481 HE1 PHE 62 HE1 PHE 62 -8.645 -1.530 -20.210 482 HE2 PHE 62 HE2 PHE 62 -7.840 -4.715 -17.525 483 HZ PHE 62 HZ PHE 62 -8.553 -3.932 -19.733 484 H GLU 63 H GLU 63 -8.843 -2.230 -13.691 485 HA GLU 63 HA GLU 63 -10.780 -3.106 -15.593 486 1HB GLU 63 1HB GLU 63 -9.274 -4.264 -13.321 487 2HB GLU 63 2HB GLU 63 -10.914 -4.868 -13.444 488 1HG GLU 63 1HG GLU 63 -9.726 -4.750 -16.102 489 2HG GLU 63 2HG GLU 63 -8.654 -5.622 -15.024 490 H ASP 64 H ASP 64 -10.689 -1.686 -12.315 491 HA ASP 64 HA ASP 64 -13.353 -2.240 -11.701 492 1HB ASP 64 1HB ASP 64 -12.078 -1.649 -9.830 493 2HB ASP 64 2HB ASP 64 -11.206 -0.395 -10.688 494 H VAL 65 H VAL 65 -11.653 0.244 -13.587 495 HA VAL 65 HA VAL 65 -14.006 1.948 -13.684 496 HB VAL 65 HB VAL 65 -12.515 3.553 -13.927 497 1HG1 VAL 65 3HG1 VAL 65 -11.111 1.933 -12.579 498 2HG1 VAL 65 1HG1 VAL 65 -10.292 1.499 -14.099 499 3HG1 VAL 65 2HG1 VAL 65 -10.203 3.167 -13.485 500 1HG2 VAL 65 2HG2 VAL 65 -11.610 1.976 -16.345 501 2HG2 VAL 65 3HG2 VAL 65 -12.610 3.447 -16.288 502 3HG2 VAL 65 1HG2 VAL 65 -10.878 3.533 -15.890 503 H GLY 66 H GLY 66 -13.327 -0.933 -14.988 504 1HA GLY 66 2HA GLY 66 -15.142 -1.079 -16.920 505 2HA GLY 66 1HA GLY 66 -13.616 -1.936 -17.013 506 H HIS 67 H HIS 67 -11.668 -0.329 -17.719 507 HA HIS 67 HA HIS 67 -12.141 1.861 -19.275 508 1HB HIS 67 1HB HIS 67 -9.986 -0.214 -19.164 509 2HB HIS 67 2HB HIS 67 -9.977 0.923 -20.499 510 HD1 HIS 67 HD1 HIS 67 -9.746 0.821 -16.706 511 HD2 HIS 67 HD2 HIS 67 -9.107 3.494 -19.875 512 HE1 HIS 67 HE1 HIS 67 -8.584 2.857 -15.700 513 HE2 HIS 67 HE2 HIS 67 -8.167 4.441 -17.704 514 H SER 68 H SER 68 -11.387 1.691 -21.843 515 HA SER 68 HA SER 68 -13.443 -0.044 -22.952 516 1HB SER 68 1HB SER 68 -13.825 1.556 -24.615 517 2HB SER 68 2HB SER 68 -13.424 2.567 -23.241 518 HG SER 68 HG SER 68 -12.276 3.188 -25.195 519 H THR 69 H THR 69 -12.963 -1.156 -25.026 520 HA THR 69 HA THR 69 -10.503 -2.457 -25.008 521 HB THR 69 HB THR 69 -12.795 -2.127 -26.983 522 HG1 THR 69 HG1 THR 69 -12.810 -4.479 -26.316 523 1HG2 THR 69 2HG2 THR 69 -10.428 -2.593 -28.106 524 2HG2 THR 69 3HG2 THR 69 -10.594 -4.188 -27.334 525 3HG2 THR 69 1HG2 THR 69 -11.809 -3.641 -28.515 526 H ASP 70 H ASP 70 -11.432 0.663 -26.331 527 HA ASP 70 HA ASP 70 -9.369 0.767 -28.229 528 1HB ASP 70 1HB ASP 70 -11.415 2.217 -28.249 529 2HB ASP 70 2HB ASP 70 -10.856 3.016 -26.793 530 H ALA 71 H ALA 71 -9.831 1.866 -24.812 531 HA ALA 71 HA ALA 71 -7.481 3.320 -24.544 532 1HB ALA 71 2HB ALA 71 -8.269 1.859 -22.135 533 2HB ALA 71 1HB ALA 71 -9.672 2.570 -22.969 534 3HB ALA 71 3HB ALA 71 -8.314 3.607 -22.469 535 H ARG 72 H ARG 72 -8.191 -0.189 -24.014 536 HA ARG 72 HA ARG 72 -5.675 -0.805 -23.063 537 1HB ARG 72 1HB ARG 72 -7.535 -2.627 -24.672 538 2HB ARG 72 2HB ARG 72 -6.291 -3.150 -23.554 539 1HG ARG 72 1HG ARG 72 -7.492 -2.048 -21.671 540 2HG ARG 72 2HG ARG 72 -8.720 -1.465 -22.779 541 1HD ARG 72 1HD ARG 72 -9.667 -3.440 -21.824 542 2HD ARG 72 2HD ARG 72 -9.130 -3.940 -23.416 543 HE ARG 72 HE ARG 72 -7.121 -4.306 -21.296 544 1HH1 ARG 72 2HH1 ARG 72 -6.483 -6.448 -20.823 545 2HH1 ARG 72 1HH1 ARG 72 -7.407 -7.781 -21.430 546 1HH2 ARG 72 2HH2 ARG 72 -9.777 -5.767 -23.084 547 2HH2 ARG 72 1HH2 ARG 72 -9.292 -7.391 -22.726 548 H GLU 73 H GLU 73 -7.078 -0.760 -26.391 549 HA GLU 73 HA GLU 73 -4.893 -1.924 -27.643 550 1HB GLU 73 1HB GLU 73 -7.403 -1.157 -28.418 551 2HB GLU 73 2HB GLU 73 -6.460 0.120 -29.160 552 1HG GLU 73 1HG GLU 73 -5.168 -1.427 -30.463 553 2HG GLU 73 2HG GLU 73 -5.652 -2.795 -29.479 554 H LEU 74 H LEU 74 -5.775 1.533 -27.028 555 HA LEU 74 HA LEU 74 -3.688 2.693 -28.419 556 1HB LEU 74 1HB LEU 74 -4.607 4.561 -27.683 557 2HB LEU 74 2HB LEU 74 -5.819 3.540 -26.933 558 HG LEU 74 HG LEU 74 -3.964 3.539 -24.966 559 1HD1 LEU 74 1HD1 LEU 74 -3.623 6.175 -26.416 560 2HD1 LEU 74 2HD1 LEU 74 -3.145 5.895 -24.724 561 3HD1 LEU 74 3HD1 LEU 74 -2.373 4.966 -26.032 562 1HD2 LEU 74 1HD2 LEU 74 -6.490 4.786 -25.485 563 2HD2 LEU 74 2HD2 LEU 74 -5.789 4.260 -23.937 564 3HD2 LEU 74 3HD2 LEU 74 -5.470 5.901 -24.546 565 H SER 75 H SER 75 -3.821 1.272 -25.124 566 HA SER 75 HA SER 75 -1.375 2.222 -24.277 567 1HB SER 75 1HB SER 75 -1.922 -0.458 -23.260 568 2HB SER 75 2HB SER 75 -1.927 1.071 -22.405 569 HG SER 75 HG SER 75 -4.106 1.445 -23.165 570 H LYS 76 H LYS 76 -2.312 -0.646 -26.228 571 HA LYS 76 HA LYS 76 0.176 -1.927 -26.146 572 1HB LYS 76 1HB LYS 76 -0.925 -3.488 -27.297 573 2HB LYS 76 2HB LYS 76 -2.346 -2.472 -27.147 574 1HG LYS 76 1HG LYS 76 -1.666 -1.290 -29.285 575 2HG LYS 76 2HG LYS 76 -0.340 -2.425 -29.450 576 1HD LYS 76 1HD LYS 76 -1.828 -4.296 -29.730 577 2HD LYS 76 2HD LYS 76 -3.209 -3.392 -29.141 578 1HE LYS 76 1HE LYS 76 -3.445 -2.167 -31.142 579 2HE LYS 76 2HE LYS 76 -1.763 -2.367 -31.591 580 1HZ LYS 76 3HZ LYS 76 -3.552 -4.674 -31.441 581 2HZ LYS 76 1HZ LYS 76 -3.481 -3.752 -32.787 582 3HZ LYS 76 2HZ LYS 76 -2.146 -4.531 -32.258 583 H THR 77 H THR 77 -0.677 1.104 -27.392 584 HA THR 77 HA THR 77 1.031 1.023 -29.709 585 HB THR 77 HB THR 77 -1.161 2.465 -29.082 586 HG1 THR 77 HG1 THR 77 1.297 3.407 -30.384 587 1HG2 THR 77 1HG2 THR 77 0.353 3.622 -27.205 588 2HG2 THR 77 2HG2 THR 77 1.028 4.504 -28.595 589 3HG2 THR 77 3HG2 THR 77 -0.709 4.619 -28.229 590 H PHE 78 H PHE 78 1.238 2.137 -26.306 591 HA PHE 78 HA PHE 78 4.051 2.775 -26.845 592 1HB PHE 78 1HB PHE 78 1.861 4.130 -25.538 593 2HB PHE 78 2HB PHE 78 2.947 3.632 -24.256 594 HD1 PHE 78 HD1 PHE 78 4.896 4.853 -23.810 595 HD2 PHE 78 HD2 PHE 78 2.844 5.491 -27.469 596 HE1 PHE 78 HE1 PHE 78 6.367 6.830 -24.291 597 HE2 PHE 78 HE2 PHE 78 4.315 7.468 -27.950 598 HZ PHE 78 HZ PHE 78 6.059 8.113 -26.354 599 H ILE 79 H ILE 79 2.596 0.102 -26.171 600 HA ILE 79 HA ILE 79 3.200 -0.599 -23.550 601 HB ILE 79 HB ILE 79 2.362 -1.886 -26.012 602 1HG1 ILE 79 1HG1 ILE 79 1.850 -2.184 -23.059 603 2HG1 ILE 79 2HG1 ILE 79 0.766 -1.621 -24.315 604 1HG2 ILE 79 2HG2 ILE 79 4.153 -3.467 -24.149 605 2HG2 ILE 79 3HG2 ILE 79 3.095 -4.167 -25.398 606 3HG2 ILE 79 1HG2 ILE 79 4.444 -3.105 -25.866 607 1HD1 ILE 79 1HD1 ILE 79 0.863 -3.953 -25.340 608 2HD1 ILE 79 2HD1 ILE 79 1.760 -4.472 -23.892 609 3HD1 ILE 79 3HD1 ILE 79 0.090 -3.872 -23.738 610 H ILE 80 H ILE 80 5.118 -0.642 -22.524 611 HA ILE 80 HA ILE 80 7.533 -0.597 -24.070 612 HB ILE 80 HB ILE 80 8.190 -0.880 -21.386 613 1HG1 ILE 80 1HG1 ILE 80 5.712 0.854 -21.619 614 2HG1 ILE 80 2HG1 ILE 80 5.777 -0.710 -20.829 615 1HG2 ILE 80 2HG2 ILE 80 8.936 0.722 -23.309 616 2HG2 ILE 80 3HG2 ILE 80 7.715 1.816 -22.617 617 3HG2 ILE 80 1HG2 ILE 80 9.067 1.242 -21.612 618 1HD1 ILE 80 3HD1 ILE 80 7.720 1.477 -20.026 619 2HD1 ILE 80 1HD1 ILE 80 6.065 1.444 -19.368 620 3HD1 ILE 80 2HD1 ILE 80 7.166 0.074 -19.081 621 H GLY 81 H GLY 81 5.819 -2.874 -21.856 622 1HA GLY 81 2HA GLY 81 7.769 -4.859 -21.744 623 2HA GLY 81 1HA GLY 81 6.831 -5.149 -23.195 624 H GLU 82 H GLU 82 7.062 -6.436 -20.329 625 HA GLU 82 HA GLU 82 4.357 -6.141 -19.425 626 1HB GLU 82 1HB GLU 82 5.170 -8.978 -20.004 627 2HB GLU 82 2HB GLU 82 3.566 -8.280 -19.913 628 1HG GLU 82 1HG GLU 82 4.018 -7.036 -22.063 629 2HG GLU 82 2HG GLU 82 5.582 -7.820 -22.163 630 H LEU 83 H LEU 83 4.004 -7.678 -17.424 631 HA LEU 83 HA LEU 83 6.318 -7.319 -15.759 632 1HB LEU 83 1HB LEU 83 3.827 -6.887 -15.217 633 2HB LEU 83 2HB LEU 83 3.731 -8.617 -14.954 634 HG LEU 83 HG LEU 83 4.288 -8.183 -12.842 635 1HD1 LEU 83 3HD1 LEU 83 6.417 -9.099 -13.710 636 2HD1 LEU 83 1HD1 LEU 83 7.013 -7.437 -13.937 637 3HD1 LEU 83 2HD1 LEU 83 6.638 -8.033 -12.302 638 1HD2 LEU 83 1HD2 LEU 83 4.395 -5.520 -13.893 639 2HD2 LEU 83 2HD2 LEU 83 4.037 -6.067 -12.237 640 3HD2 LEU 83 3HD2 LEU 83 5.717 -5.739 -12.722 641 H HIS 84 H HIS 84 7.908 -8.786 -15.529 642 HA HIS 84 HA HIS 84 7.665 -11.337 -16.705 643 1HB HIS 84 1HB HIS 84 9.727 -9.655 -15.803 644 2HB HIS 84 2HB HIS 84 9.853 -11.093 -14.808 645 HD1 HIS 84 HD1 HIS 84 8.609 -11.452 -18.342 646 HD2 HIS 84 HD2 HIS 84 12.186 -11.907 -16.199 647 HE1 HIS 84 HE1 HIS 84 10.218 -12.687 -19.891 648 HE2 HIS 84 HE2 HIS 84 12.415 -12.888 -18.540 649 HA PRO 85 HA PRO 85 6.622 -13.814 -13.286 650 1HB PRO 85 1HB PRO 85 8.571 -15.694 -12.929 651 2HB PRO 85 2HB PRO 85 7.369 -15.792 -14.199 652 1HG PRO 85 1HG PRO 85 10.225 -15.057 -14.405 653 2HG PRO 85 2HG PRO 85 9.128 -15.569 -15.673 654 1HD PRO 85 1HD PRO 85 10.014 -12.892 -15.146 655 2HD PRO 85 2HD PRO 85 8.829 -13.388 -16.338 656 H ASP 86 H ASP 86 8.738 -11.529 -12.845 657 HA ASP 86 HA ASP 86 9.817 -12.328 -10.359 658 1HB ASP 86 1HB ASP 86 11.169 -10.649 -11.116 659 2HB ASP 86 2HB ASP 86 9.921 -10.005 -12.164 660 H ASP 87 H ASP 87 6.861 -10.803 -11.559 661 HA ASP 87 HA ASP 87 5.570 -11.051 -9.133 662 1HB ASP 87 1HB ASP 87 6.765 -8.346 -9.742 663 2HB ASP 87 2HB ASP 87 5.174 -8.391 -9.008 664 H ARG 88 H ARG 88 4.895 -11.882 -11.648 665 HA ARG 88 HA ARG 88 3.238 -9.838 -12.829 666 1HB ARG 88 1HB ARG 88 2.927 -11.547 -14.666 667 2HB ARG 88 2HB ARG 88 4.607 -11.136 -14.387 668 1HG ARG 88 1HG ARG 88 4.734 -13.182 -12.831 669 2HG ARG 88 2HG ARG 88 3.142 -13.628 -13.413 670 1HD ARG 88 1HD ARG 88 4.160 -13.438 -15.811 671 2HD ARG 88 2HD ARG 88 5.722 -13.420 -15.018 672 HE ARG 88 HE ARG 88 5.477 -15.699 -14.504 673 1HH1 ARG 88 2HH1 ARG 88 4.450 -17.738 -14.595 674 2HH1 ARG 88 1HH1 ARG 88 2.782 -17.847 -15.051 675 1HH2 ARG 88 2HH2 ARG 88 2.370 -14.378 -15.500 676 2HH2 ARG 88 1HH2 ARG 88 1.591 -15.924 -15.569 677 H SER 89 H SER 89 3.033 -13.238 -11.560 678 HA SER 89 HA SER 89 0.233 -13.316 -11.796 679 1HB SER 89 1HB SER 89 2.137 -15.213 -11.517 680 2HB SER 89 2HB SER 89 1.667 -15.083 -9.834 681 HG SER 89 HG SER 89 0.361 -16.671 -10.816 682 H LYS 90 H LYS 90 2.296 -11.617 -9.709 683 HA LYS 90 HA LYS 90 0.627 -11.885 -7.361 684 1HB LYS 90 1HB LYS 90 3.331 -11.071 -7.941 685 2HB LYS 90 2HB LYS 90 2.519 -9.797 -7.053 686 1HG LYS 90 1HG LYS 90 3.248 -11.126 -5.282 687 2HG LYS 90 2HG LYS 90 1.648 -11.796 -5.530 688 1HD LYS 90 1HD LYS 90 2.778 -13.485 -7.151 689 2HD LYS 90 2HD LYS 90 4.306 -12.931 -6.494 690 1HE LYS 90 1HE LYS 90 4.040 -14.219 -4.644 691 2HE LYS 90 2HE LYS 90 2.496 -13.474 -4.291 692 1HZ LYS 90 3HZ LYS 90 1.711 -15.010 -6.196 693 2HZ LYS 90 1HZ LYS 90 3.045 -15.876 -5.824 694 3HZ LYS 90 2HZ LYS 90 1.901 -15.611 -4.690 695 H ILE 91 H ILE 91 0.558 -10.185 -10.306 696 HA ILE 91 HA ILE 91 -1.181 -8.166 -9.075 697 HB ILE 91 HB ILE 91 -0.337 -6.468 -10.393 698 1HG1 ILE 91 1HG1 ILE 91 1.064 -8.549 -12.099 699 2HG1 ILE 91 2HG1 ILE 91 -0.370 -7.643 -12.539 700 1HG2 ILE 91 3HG2 ILE 91 1.265 -7.583 -8.604 701 2HG2 ILE 91 1HG2 ILE 91 2.275 -7.875 -10.041 702 3HG2 ILE 91 2HG2 ILE 91 1.795 -6.216 -9.613 703 1HD1 ILE 91 2HD1 ILE 91 1.629 -5.755 -11.670 704 2HD1 ILE 91 3HD1 ILE 91 2.371 -6.862 -12.848 705 3HD1 ILE 91 1HD1 ILE 91 0.914 -5.941 -13.288 706 H THR 92 H THR 92 -0.374 -10.286 -11.851 707 HA THR 92 HA THR 92 -2.243 -9.734 -13.674 708 HB THR 92 HB THR 92 -0.517 -11.712 -13.408 709 HG1 THR 92 HG1 THR 92 -1.592 -11.801 -15.354 710 1HG2 THR 92 3HG2 THR 92 -1.867 -12.753 -11.455 711 2HG2 THR 92 1HG2 THR 92 -3.111 -13.144 -12.666 712 3HG2 THR 92 2HG2 THR 92 -1.481 -13.847 -12.804 713 H LYS 93 H LYS 93 -2.881 -10.972 -10.409 714 HA LYS 93 HA LYS 93 -5.539 -10.113 -10.514 715 1HB LYS 93 1HB LYS 93 -5.541 -12.234 -12.024 716 2HB LYS 93 2HB LYS 93 -5.410 -13.124 -10.521 717 1HG LYS 93 1HG LYS 93 -7.425 -11.617 -9.727 718 2HG LYS 93 2HG LYS 93 -7.649 -11.288 -11.433 719 1HD LYS 93 1HD LYS 93 -7.756 -13.775 -11.863 720 2HD LYS 93 2HD LYS 93 -7.621 -14.055 -10.139 721 1HE LYS 93 1HE LYS 93 -9.704 -12.205 -10.268 722 2HE LYS 93 2HE LYS 93 -9.961 -13.148 -11.722 723 1HZ LYS 93 1HZ LYS 93 -9.421 -15.020 -9.883 724 2HZ LYS 93 2HZ LYS 93 -10.256 -13.927 -9.003 725 3HZ LYS 93 3HZ LYS 93 -10.921 -14.573 -10.346 726 HA PRO 94 HA PRO 94 -4.097 -10.480 -6.382 727 1HB PRO 94 1HB PRO 94 -5.706 -8.546 -5.318 728 2HB PRO 94 2HB PRO 94 -4.140 -8.206 -6.028 729 1HG PRO 94 1HG PRO 94 -6.830 -7.700 -7.144 730 2HG PRO 94 2HG PRO 94 -5.295 -7.004 -7.622 731 1HD PRO 94 1HD PRO 94 -6.744 -9.067 -8.991 732 2HD PRO 94 2HD PRO 94 -5.156 -8.449 -9.404 733 H SER 95 H SER 95 -5.719 -10.102 -4.152 734 HA SER 95 HA SER 95 -7.871 -11.969 -4.660 735 1HB SER 95 1HB SER 95 -7.235 -13.317 -2.657 736 2HB SER 95 2HB SER 95 -6.037 -13.405 -3.933 737 HG SER 95 HG SER 95 -5.892 -12.114 -1.393 738 H GLU 96 H GLU 96 -8.925 -12.295 -2.153 739 HA GLU 96 HA GLU 96 -8.830 -9.840 -0.716 740 1HB GLU 96 1HB GLU 96 -11.201 -9.247 -1.003 741 2HB GLU 96 2HB GLU 96 -10.374 -9.219 -2.548 742 1HG GLU 96 1HG GLU 96 -11.224 -11.539 -3.025 743 2HG GLU 96 2HG GLU 96 -12.085 -11.524 -1.498 744 H SER 97 H SER 97 -10.633 -9.955 1.133 745 HA SER 97 HA SER 97 -11.718 -12.408 1.774 746 1HB SER 97 1HB SER 97 -9.189 -12.908 2.030 747 2HB SER 97 2HB SER 97 -9.227 -11.855 3.430 748 HG SER 97 HG SER 97 -10.997 -14.122 3.104 749 H ILE 98 H ILE 98 -12.467 -12.401 4.191 750 HA ILE 98 HA ILE 98 -12.277 -9.960 5.611 751 HB ILE 98 HB ILE 98 -13.744 -9.186 3.835 752 1HG1 ILE 98 1HG1 ILE 98 -15.786 -9.217 5.883 753 2HG1 ILE 98 2HG1 ILE 98 -14.207 -9.019 6.615 754 1HG2 ILE 98 2HG2 ILE 98 -14.707 -11.468 3.336 755 2HG2 ILE 98 3HG2 ILE 98 -15.780 -11.232 4.736 756 3HG2 ILE 98 1HG2 ILE 98 -15.869 -10.119 3.350 757 1HD1 ILE 98 1HD1 ILE 98 -14.712 -7.411 4.139 758 2HD1 ILE 98 2HD1 ILE 98 -15.628 -6.944 5.593 759 3HD1 ILE 98 3HD1 ILE 98 -13.849 -6.962 5.630 760 H ILE 99 H ILE 99 -12.562 -10.430 7.741 761 HA ILE 99 HA ILE 99 -14.222 -12.753 8.375 762 HB ILE 99 HB ILE 99 -11.355 -12.295 9.166 763 1HG1 ILE 99 1HG1 ILE 99 -12.596 -14.871 8.229 764 2HG1 ILE 99 2HG1 ILE 99 -12.158 -13.633 7.068 765 1HG2 ILE 99 1HG2 ILE 99 -13.490 -13.363 10.806 766 2HG2 ILE 99 2HG2 ILE 99 -12.251 -14.598 10.478 767 3HG2 ILE 99 3HG2 ILE 99 -11.786 -13.044 11.211 768 1HD1 ILE 99 2HD1 ILE 99 -9.848 -13.605 8.369 769 2HD1 ILE 99 3HD1 ILE 99 -10.369 -15.216 8.919 770 3HD1 ILE 99 1HD1 ILE 99 -10.181 -14.888 7.180 771 H THR 100 H THR 100 -15.519 -12.473 10.160 772 HA THR 100 HA THR 100 -14.943 -10.166 11.874 773 HB THR 100 HB THR 100 -17.568 -10.757 10.406 774 HG1 THR 100 HG1 THR 100 -16.839 -8.998 9.207 775 1HG2 THR 100 2HG2 THR 100 -16.990 -9.233 12.862 776 2HG2 THR 100 3HG2 THR 100 -17.608 -8.182 11.564 777 3HG2 THR 100 1HG2 THR 100 -18.563 -9.585 12.104 778 H THR 101 H THR 101 -15.154 -10.579 13.997 779 HA THR 101 HA THR 101 -16.895 -12.772 14.806 780 HB THR 101 HB THR 101 -14.467 -13.590 14.298 781 HG1 THR 101 HG1 THR 101 -16.021 -14.713 15.673 782 1HG2 THR 101 3HG2 THR 101 -13.768 -11.438 15.967 783 2HG2 THR 101 1HG2 THR 101 -13.714 -12.844 17.057 784 3HG2 THR 101 2HG2 THR 101 -12.723 -12.826 15.579 785 H ILE 102 H ILE 102 -17.566 -12.676 16.999 786 HA ILE 102 HA ILE 102 -17.026 -10.042 18.182 787 HB ILE 102 HB ILE 102 -19.395 -10.876 17.299 788 1HG1 ILE 102 1HG1 ILE 102 -19.791 -9.470 19.818 789 2HG1 ILE 102 2HG1 ILE 102 -18.423 -8.822 18.936 790 1HG2 ILE 102 1HG2 ILE 102 -19.094 -12.805 19.107 791 2HG2 ILE 102 2HG2 ILE 102 -19.791 -11.560 20.173 792 3HG2 ILE 102 3HG2 ILE 102 -20.680 -12.095 18.726 793 1HD1 ILE 102 1HD1 ILE 102 -20.047 -8.943 16.846 794 2HD1 ILE 102 2HD1 ILE 102 -21.319 -8.985 18.090 795 3HD1 ILE 102 3HD1 ILE 102 -20.200 -7.603 18.010 796 H ASP 103 H ASP 103 -16.854 -9.939 20.531 797 HA ASP 103 HA ASP 103 -16.146 -12.535 21.652 798 1HB ASP 103 1HB ASP 103 -14.506 -11.075 23.095 799 2HB ASP 103 2HB ASP 103 -14.038 -11.522 21.467 800 H SER 104 H SER 104 -15.922 -12.095 24.281 801 HA SER 104 HA SER 104 -18.348 -10.631 24.961 802 1HB SER 104 1HB SER 104 -17.082 -13.147 26.039 803 2HB SER 104 2HB SER 104 -18.042 -12.169 27.129 804 HG SER 104 HG SER 104 -19.016 -13.983 25.564 No H/Q in entry = 804 Start of MODEL 31 1 H ALA 1 H ALA 1 34.021 -0.187 -35.811 2 HA ALA 1 HA ALA 1 33.194 1.016 -34.112 3 1HB ALA 1 1HB ALA 1 31.527 2.658 -34.399 4 2HB ALA 1 2HB ALA 1 32.315 2.576 -35.993 5 3HB ALA 1 3HB ALA 1 30.750 1.769 -35.732 6 H GLU 2 H GLU 2 30.722 1.117 -32.933 7 HA GLU 2 HA GLU 2 29.562 -1.505 -33.298 8 1HB GLU 2 1HB GLU 2 31.415 -0.998 -31.239 9 2HB GLU 2 2HB GLU 2 29.857 -0.879 -30.445 10 1HG GLU 2 1HG GLU 2 29.547 -3.133 -32.075 11 2HG GLU 2 2HG GLU 2 31.216 -3.256 -31.560 12 H GLU 3 H GLU 3 27.478 -1.703 -31.890 13 HA GLU 3 HA GLU 3 26.330 0.548 -30.792 14 1HB GLU 3 1HB GLU 3 24.696 1.207 -32.515 15 2HB GLU 3 2HB GLU 3 26.331 1.452 -33.095 16 1HG GLU 3 1HG GLU 3 26.245 -0.654 -34.375 17 2HG GLU 3 2HG GLU 3 24.674 -1.041 -33.703 18 H SER 4 H SER 4 23.865 0.186 -30.444 19 HA SER 4 HA SER 4 22.700 -2.223 -31.077 20 1HB SER 4 1HB SER 4 22.884 -3.530 -29.045 21 2HB SER 4 2HB SER 4 24.506 -3.163 -29.596 22 HG SER 4 HG SER 4 23.736 -1.139 -27.964 23 H SER 5 H SER 5 20.639 -2.576 -29.696 24 HA SER 5 HA SER 5 19.864 -0.703 -27.825 25 1HB SER 5 1HB SER 5 18.273 0.682 -29.123 26 2HB SER 5 2HB SER 5 19.923 0.936 -29.660 27 HG SER 5 HG SER 5 19.020 0.580 -31.593 28 H LYS 6 H LYS 6 17.484 -0.960 -27.281 29 HA LYS 6 HA LYS 6 15.921 -2.847 -28.669 30 1HB LYS 6 1HB LYS 6 15.979 -4.715 -27.143 31 2HB LYS 6 2HB LYS 6 17.590 -4.423 -27.765 32 1HG LYS 6 1HG LYS 6 18.299 -3.353 -25.711 33 2HG LYS 6 2HG LYS 6 16.654 -3.238 -25.119 34 1HD LYS 6 1HD LYS 6 16.570 -5.808 -25.168 35 2HD LYS 6 2HD LYS 6 18.291 -5.784 -25.496 36 1HE LYS 6 1HE LYS 6 17.530 -4.058 -23.211 37 2HE LYS 6 2HE LYS 6 17.122 -5.743 -22.959 38 1HZ LYS 6 2HZ LYS 6 19.597 -5.836 -24.022 39 2HZ LYS 6 3HZ LYS 6 19.676 -4.520 -23.059 40 3HZ LYS 6 1HZ LYS 6 19.243 -5.965 -22.434 41 H ALA 7 H ALA 7 14.082 -3.627 -26.886 42 HA ALA 7 HA ALA 7 13.405 -1.144 -25.461 43 1HB ALA 7 3HB ALA 7 12.029 -2.586 -27.547 44 2HB ALA 7 1HB ALA 7 11.060 -2.646 -26.055 45 3HB ALA 7 2HB ALA 7 11.556 -1.076 -26.731 46 H VAL 8 H VAL 8 12.319 -1.383 -23.416 47 HA VAL 8 HA VAL 8 13.308 -3.054 -21.637 48 HB VAL 8 HB VAL 8 11.927 -1.643 -20.596 49 1HG1 VAL 8 2HG1 VAL 8 10.484 -1.693 -23.173 50 2HG1 VAL 8 3HG1 VAL 8 9.471 -1.327 -21.755 51 3HG1 VAL 8 1HG1 VAL 8 10.898 -0.325 -22.111 52 1HG2 VAL 8 2HG2 VAL 8 9.978 -3.910 -21.123 53 2HG2 VAL 8 3HG2 VAL 8 11.118 -3.766 -19.762 54 3HG2 VAL 8 1HG2 VAL 8 9.748 -2.637 -19.901 55 H LYS 9 H LYS 9 10.147 -3.840 -23.264 56 HA LYS 9 HA LYS 9 9.340 -5.774 -23.985 57 1HB LYS 9 1HB LYS 9 12.164 -6.228 -24.115 58 2HB LYS 9 2HB LYS 9 11.406 -7.688 -23.514 59 1HG LYS 9 1HG LYS 9 9.679 -7.367 -25.449 60 2HG LYS 9 2HG LYS 9 10.821 -6.214 -26.110 61 1HD LYS 9 1HD LYS 9 12.014 -8.821 -25.280 62 2HD LYS 9 2HD LYS 9 10.880 -8.923 -26.613 63 1HE LYS 9 1HE LYS 9 12.199 -6.939 -27.669 64 2HE LYS 9 2HE LYS 9 13.428 -7.259 -26.462 65 1HZ LYS 9 2HZ LYS 9 12.672 -9.663 -27.654 66 2HZ LYS 9 3HZ LYS 9 13.027 -8.591 -28.834 67 3HZ LYS 9 1HZ LYS 9 14.131 -8.931 -27.680 68 H TYR 10 H TYR 10 11.511 -6.345 -21.127 69 HA TYR 10 HA TYR 10 9.134 -7.313 -19.709 70 1HB TYR 10 1HB TYR 10 11.408 -8.766 -18.800 71 2HB TYR 10 2HB TYR 10 10.132 -9.412 -19.812 72 HD1 TYR 10 HD1 TYR 10 10.524 -9.953 -22.103 73 HD2 TYR 10 HD2 TYR 10 13.477 -7.794 -19.884 74 HE1 TYR 10 HE1 TYR 10 12.203 -10.305 -23.980 75 HE2 TYR 10 HE2 TYR 10 15.146 -8.153 -21.768 76 HH TYR 10 HH TYR 10 15.073 -8.566 -24.180 77 H TYR 11 H TYR 11 8.882 -6.314 -17.771 78 HA TYR 11 HA TYR 11 11.306 -5.206 -16.527 79 1HB TYR 11 1HB TYR 11 8.667 -4.048 -17.402 80 2HB TYR 11 2HB TYR 11 9.143 -3.583 -15.781 81 HD1 TYR 11 HD1 TYR 11 12.234 -3.934 -16.962 82 HD2 TYR 11 HD2 TYR 11 8.802 -1.518 -17.793 83 HE1 TYR 11 HE1 TYR 11 13.735 -2.122 -17.924 84 HE2 TYR 11 HE2 TYR 11 10.314 0.286 -18.752 85 HH TYR 11 HH TYR 11 13.390 -0.242 -19.672 86 H THR 12 H THR 12 10.906 -4.676 -14.134 87 HA THR 12 HA THR 12 9.246 -6.827 -13.002 88 HB THR 12 HB THR 12 10.890 -6.853 -11.183 89 HG1 THR 12 HG1 THR 12 12.158 -4.696 -12.702 90 1HG2 THR 12 1HG2 THR 12 11.602 -7.529 -13.793 91 2HG2 THR 12 2HG2 THR 12 12.878 -6.370 -13.341 92 3HG2 THR 12 3HG2 THR 12 12.612 -7.832 -12.359 93 H LEU 13 H LEU 13 8.066 -6.419 -11.034 94 HA LEU 13 HA LEU 13 6.463 -4.241 -11.129 95 1HB LEU 13 1HB LEU 13 7.129 -6.320 -9.192 96 2HB LEU 13 2HB LEU 13 6.596 -4.836 -8.429 97 HG LEU 13 HG LEU 13 5.077 -6.485 -10.464 98 1HD1 LEU 13 3HD1 LEU 13 5.263 -7.171 -7.969 99 2HD1 LEU 13 1HD1 LEU 13 4.154 -5.809 -7.684 100 3HD1 LEU 13 2HD1 LEU 13 3.663 -7.146 -8.750 101 1HD2 LEU 13 1HD2 LEU 13 4.490 -3.750 -9.333 102 2HD2 LEU 13 2HD2 LEU 13 4.515 -4.279 -11.031 103 3HD2 LEU 13 3HD2 LEU 13 3.207 -4.819 -9.950 104 H GLU 14 H GLU 14 9.679 -4.545 -9.574 105 HA GLU 14 HA GLU 14 9.524 -2.094 -8.243 106 1HB GLU 14 1HB GLU 14 11.342 -4.254 -8.429 107 2HB GLU 14 2HB GLU 14 12.249 -2.861 -8.983 108 1HG GLU 14 1HG GLU 14 12.605 -2.692 -6.685 109 2HG GLU 14 2HG GLU 14 11.190 -1.670 -6.854 110 H GLU 15 H GLU 15 11.073 -3.098 -11.371 111 HA GLU 15 HA GLU 15 12.174 -0.726 -12.049 112 1HB GLU 15 1HB GLU 15 12.455 -2.839 -13.317 113 2HB GLU 15 2HB GLU 15 10.801 -2.737 -13.888 114 1HG GLU 15 1HG GLU 15 12.853 -0.540 -14.404 115 2HG GLU 15 2HG GLU 15 12.618 -1.884 -15.502 116 H ILE 16 H ILE 16 8.749 -1.757 -12.293 117 HA ILE 16 HA ILE 16 8.000 0.614 -13.728 118 HB ILE 16 HB ILE 16 6.199 -1.380 -12.365 119 1HG1 ILE 16 1HG1 ILE 16 6.679 -1.822 -15.215 120 2HG1 ILE 16 2HG1 ILE 16 8.129 -2.044 -14.256 121 1HG2 ILE 16 1HG2 ILE 16 5.793 0.946 -14.029 122 2HG2 ILE 16 2HG2 ILE 16 5.143 -0.513 -14.815 123 3HG2 ILE 16 3HG2 ILE 16 4.604 -0.070 -13.177 124 1HD1 ILE 16 3HD1 ILE 16 5.998 -3.261 -12.786 125 2HD1 ILE 16 1HD1 ILE 16 5.831 -3.785 -14.479 126 3HD1 ILE 16 2HD1 ILE 16 7.357 -4.068 -13.606 127 H GLN 17 H GLN 17 8.098 -0.561 -10.356 128 HA GLN 17 HA GLN 17 6.461 1.420 -9.304 129 1HB GLN 17 1HB GLN 17 7.548 -0.820 -8.296 130 2HB GLN 17 2HB GLN 17 8.749 0.306 -7.693 131 1HG GLN 17 1HG GLN 17 5.898 1.137 -7.310 132 2HG GLN 17 2HG GLN 17 6.406 -0.265 -6.388 133 1HE2 GLN 17 1HE2 GLN 17 7.832 -0.080 -4.737 134 2HE2 GLN 17 2HE2 GLN 17 8.429 1.421 -4.113 135 H LYS 18 H LYS 18 9.954 1.295 -10.090 136 HA LYS 18 HA LYS 18 10.613 3.684 -8.731 137 1HB LYS 18 1HB LYS 18 12.047 2.313 -11.025 138 2HB LYS 18 2HB LYS 18 12.724 3.515 -9.946 139 1HG LYS 18 1HG LYS 18 11.492 0.996 -8.790 140 2HG LYS 18 2HG LYS 18 13.110 0.936 -9.462 141 1HD LYS 18 1HD LYS 18 12.178 2.830 -7.253 142 2HD LYS 18 2HD LYS 18 13.153 1.396 -7.015 143 1HE LYS 18 1HE LYS 18 14.828 2.485 -8.708 144 2HE LYS 18 2HE LYS 18 13.929 3.965 -8.447 145 1HZ LYS 18 3HZ LYS 18 15.146 2.366 -6.302 146 2HZ LYS 18 1HZ LYS 18 15.798 3.719 -6.941 147 3HZ LYS 18 2HZ LYS 18 14.390 3.802 -6.118 148 H HIS 19 H HIS 19 9.244 2.891 -11.910 149 HA HIS 19 HA HIS 19 9.599 5.641 -12.763 150 1HB HIS 19 1HB HIS 19 8.758 3.089 -14.125 151 2HB HIS 19 2HB HIS 19 8.416 4.642 -14.861 152 HD1 HIS 19 HD1 HIS 19 10.062 4.504 -16.799 153 HD2 HIS 19 HD2 HIS 19 11.862 3.860 -13.065 154 HE1 HIS 19 HE1 HIS 19 12.581 4.482 -17.214 155 HE2 HIS 19 HE2 HIS 19 13.634 4.138 -14.876 156 H ASN 20 H ASN 20 8.195 6.768 -11.341 157 HA ASN 20 HA ASN 20 5.416 6.364 -12.035 158 1HB ASN 20 1HB ASN 20 5.537 5.204 -9.911 159 2HB ASN 20 2HB ASN 20 6.578 6.429 -9.213 160 1HD2 ASN 20 1HD2 ASN 20 3.759 7.012 -11.247 161 2HD2 ASN 20 2HD2 ASN 20 2.762 7.779 -10.055 162 H ASN 21 H ASN 21 7.746 8.306 -12.578 163 HA ASN 21 HA ASN 21 6.664 10.670 -11.279 164 1HB ASN 21 1HB ASN 21 9.288 10.263 -12.812 165 2HB ASN 21 2HB ASN 21 8.805 11.763 -12.045 166 1HD2 ASN 21 1HD2 ASN 21 9.815 8.459 -11.574 167 2HD2 ASN 21 2HD2 ASN 21 10.242 8.563 -9.897 168 H SER 22 H SER 22 6.518 12.677 -12.747 169 HA SER 22 HA SER 22 5.046 12.082 -15.008 170 1HB SER 22 1HB SER 22 4.923 14.454 -15.345 171 2HB SER 22 2HB SER 22 4.979 14.209 -13.611 172 HG SER 22 HG SER 22 6.876 15.396 -15.330 173 H LYS 23 H LYS 23 8.414 11.932 -14.489 174 HA LYS 23 HA LYS 23 8.997 12.480 -17.307 175 1HB LYS 23 1HB LYS 23 10.270 13.368 -15.046 176 2HB LYS 23 2HB LYS 23 11.236 11.966 -15.457 177 1HG LYS 23 1HG LYS 23 11.506 12.819 -17.787 178 2HG LYS 23 2HG LYS 23 10.516 14.211 -17.398 179 1HD LYS 23 1HD LYS 23 12.225 14.700 -15.502 180 2HD LYS 23 2HD LYS 23 13.257 13.509 -16.271 181 1HE LYS 23 1HE LYS 23 12.558 15.043 -18.450 182 2HE LYS 23 2HE LYS 23 12.519 16.255 -17.187 183 1HZ LYS 23 1HZ LYS 23 14.782 14.439 -17.643 184 2HZ LYS 23 2HZ LYS 23 14.705 15.971 -18.201 185 3HZ LYS 23 3HZ LYS 23 14.739 15.689 -16.593 186 H SER 24 H SER 24 8.639 9.981 -14.871 187 HA SER 24 HA SER 24 9.363 8.064 -16.924 188 1HB SER 24 1HB SER 24 10.638 8.404 -14.255 189 2HB SER 24 2HB SER 24 10.180 6.755 -14.635 190 HG SER 24 HG SER 24 12.085 6.773 -15.649 191 H THR 25 H THR 25 6.886 8.243 -17.010 192 HA THR 25 HA THR 25 5.569 6.926 -14.760 193 HB THR 25 HB THR 25 4.071 7.850 -17.188 194 HG1 THR 25 HG1 THR 25 4.459 10.096 -16.243 195 1HG2 THR 25 1HG2 THR 25 3.783 7.813 -14.202 196 2HG2 THR 25 2HG2 THR 25 3.101 9.234 -15.030 197 3HG2 THR 25 3HG2 THR 25 2.540 7.600 -15.458 198 H TRP 26 H TRP 26 5.636 4.766 -14.719 199 HA TRP 26 HA TRP 26 5.051 3.411 -17.255 200 1HB TRP 26 1HB TRP 26 7.407 3.123 -15.517 201 2HB TRP 26 2HB TRP 26 6.621 1.612 -15.928 202 HD1 TRP 26 HD1 TRP 26 7.277 0.619 -18.269 203 HE1 TRP 26 HE1 TRP 26 8.548 1.399 -20.446 204 HE3 TRP 26 HE3 TRP 26 7.745 5.489 -16.883 205 HZ2 TRP 26 HZ2 TRP 26 9.582 3.911 -21.324 206 HZ3 TRP 26 HZ3 TRP 26 8.899 7.040 -18.458 207 HH2 TRP 26 HH2 TRP 26 9.801 6.319 -20.613 208 H LEU 27 H LEU 27 3.581 1.684 -17.043 209 HA LEU 27 HA LEU 27 2.856 0.850 -14.362 210 1HB LEU 27 1HB LEU 27 0.726 1.604 -14.325 211 2HB LEU 27 2HB LEU 27 1.496 2.926 -15.182 212 HG LEU 27 HG LEU 27 -0.459 2.572 -16.379 213 1HD1 LEU 27 2HD1 LEU 27 1.874 2.261 -17.666 214 2HD1 LEU 27 3HD1 LEU 27 1.106 0.711 -18.085 215 3HD1 LEU 27 1HD1 LEU 27 0.295 2.243 -18.488 216 1HD2 LEU 27 3HD2 LEU 27 -0.491 0.069 -15.206 217 2HD2 LEU 27 1HD2 LEU 27 -1.686 0.710 -16.359 218 3HD2 LEU 27 2HD2 LEU 27 -0.336 -0.294 -16.942 219 H ILE 28 H ILE 28 1.177 -1.012 -14.537 220 HA ILE 28 HA ILE 28 1.794 -2.531 -16.976 221 HB ILE 28 HB ILE 28 1.247 -3.875 -14.367 222 1HG1 ILE 28 1HG1 ILE 28 4.085 -3.222 -15.038 223 2HG1 ILE 28 2HG1 ILE 28 3.117 -1.974 -14.280 224 1HG2 ILE 28 2HG2 ILE 28 2.854 -4.545 -16.844 225 2HG2 ILE 28 3HG2 ILE 28 2.831 -5.538 -15.365 226 3HG2 ILE 28 1HG2 ILE 28 1.332 -5.287 -16.293 227 1HD1 ILE 28 2HD1 ILE 28 2.559 -4.420 -12.886 228 2HD1 ILE 28 3HD1 ILE 28 4.325 -4.289 -13.058 229 3HD1 ILE 28 1HD1 ILE 28 3.408 -2.980 -12.276 230 H LEU 29 H LEU 29 0.082 -3.350 -18.106 231 HA LEU 29 HA LEU 29 -2.523 -3.248 -16.761 232 1HB LEU 29 1HB LEU 29 -1.632 -1.596 -18.884 233 2HB LEU 29 2HB LEU 29 -2.781 -2.727 -19.568 234 HG LEU 29 HG LEU 29 -3.200 -0.522 -17.617 235 1HD1 LEU 29 2HD1 LEU 29 -4.872 -1.724 -19.840 236 2HD1 LEU 29 3HD1 LEU 29 -5.314 -0.297 -18.872 237 3HD1 LEU 29 1HD1 LEU 29 -3.879 -0.249 -19.925 238 1HD2 LEU 29 3HD2 LEU 29 -4.501 -3.208 -17.362 239 2HD2 LEU 29 1HD2 LEU 29 -3.976 -2.065 -16.102 240 3HD2 LEU 29 2HD2 LEU 29 -5.453 -1.740 -17.039 241 H HIS 30 H HIS 30 -3.709 -5.097 -16.935 242 HA HIS 30 HA HIS 30 -4.319 -7.114 -17.551 243 1HB HIS 30 1HB HIS 30 -4.353 -6.055 -19.848 244 2HB HIS 30 2HB HIS 30 -2.760 -6.734 -20.119 245 HD1 HIS 30 HD1 HIS 30 -3.868 -9.425 -18.364 246 HD2 HIS 30 HD2 HIS 30 -5.207 -7.806 -21.995 247 HE1 HIS 30 HE1 HIS 30 -5.072 -11.312 -19.587 248 HE2 HIS 30 HE2 HIS 30 -5.922 -10.243 -21.785 249 H TYR 31 H TYR 31 -0.952 -6.755 -18.895 250 HA TYR 31 HA TYR 31 0.213 -8.270 -16.834 251 1HB TYR 31 1HB TYR 31 0.434 -10.394 -17.969 252 2HB TYR 31 2HB TYR 31 -1.226 -9.939 -18.301 253 HD1 TYR 31 HD1 TYR 31 2.150 -10.281 -19.736 254 HD2 TYR 31 HD2 TYR 31 -1.934 -9.298 -20.543 255 HE1 TYR 31 HE1 TYR 31 2.591 -10.463 -22.233 256 HE2 TYR 31 HE2 TYR 31 -1.479 -9.483 -23.037 257 HH TYR 31 HH TYR 31 0.652 -11.017 -24.368 258 H LYS 32 H LYS 32 0.253 -6.078 -19.274 259 HA LYS 32 HA LYS 32 3.128 -6.472 -19.735 260 1HB LYS 32 1HB LYS 32 2.597 -5.049 -21.853 261 2HB LYS 32 2HB LYS 32 2.279 -6.772 -21.853 262 1HG LYS 32 1HG LYS 32 -0.070 -5.576 -20.780 263 2HG LYS 32 2HG LYS 32 0.396 -4.551 -22.123 264 1HD LYS 32 1HD LYS 32 0.199 -6.299 -23.706 265 2HD LYS 32 2HD LYS 32 0.412 -7.554 -22.503 266 1HE LYS 32 1HE LYS 32 -1.814 -7.379 -21.720 267 2HE LYS 32 2HE LYS 32 -2.001 -5.736 -22.301 268 1HZ LYS 32 3HZ LYS 32 -1.499 -7.788 -24.280 269 2HZ LYS 32 1HZ LYS 32 -2.976 -7.768 -23.584 270 3HZ LYS 32 2HZ LYS 32 -2.432 -6.450 -24.380 271 H VAL 33 H VAL 33 4.257 -4.292 -20.220 272 HA VAL 33 HA VAL 33 3.181 -2.337 -18.312 273 HB VAL 33 HB VAL 33 6.047 -2.582 -19.200 274 1HG1 VAL 33 2HG1 VAL 33 5.034 -0.537 -17.951 275 2HG1 VAL 33 3HG1 VAL 33 5.044 -1.608 -16.530 276 3HG1 VAL 33 1HG1 VAL 33 6.567 -1.233 -17.371 277 1HG2 VAL 33 1HG2 VAL 33 4.595 -4.542 -17.722 278 2HG2 VAL 33 2HG2 VAL 33 6.342 -4.475 -18.061 279 3HG2 VAL 33 3HG2 VAL 33 5.689 -3.709 -16.593 280 H TYR 34 H TYR 34 2.886 -0.210 -18.954 281 HA TYR 34 HA TYR 34 3.526 0.332 -21.776 282 1HB TYR 34 1HB TYR 34 1.251 1.348 -19.962 283 2HB TYR 34 2HB TYR 34 1.411 1.713 -21.666 284 HD1 TYR 34 HD1 TYR 34 0.191 0.451 -23.194 285 HD2 TYR 34 HD2 TYR 34 1.133 -1.254 -19.384 286 HE1 TYR 34 HE1 TYR 34 -1.211 -1.594 -23.755 287 HE2 TYR 34 HE2 TYR 34 -0.272 -3.294 -19.959 288 HH TYR 34 HH TYR 34 -1.939 -3.995 -21.347 289 H ASP 35 H ASP 35 3.953 2.614 -22.305 290 HA ASP 35 HA ASP 35 5.429 3.810 -20.153 291 1HB ASP 35 1HB ASP 35 5.991 3.559 -22.784 292 2HB ASP 35 2HB ASP 35 5.146 5.091 -22.869 293 H LEU 36 H LEU 36 3.823 4.775 -18.777 294 HA LEU 36 HA LEU 36 1.582 6.143 -19.759 295 1HB LEU 36 1HB LEU 36 3.001 6.046 -17.110 296 2HB LEU 36 2HB LEU 36 1.630 7.107 -17.369 297 HG LEU 36 HG LEU 36 1.735 4.142 -17.133 298 1HD1 LEU 36 2HD1 LEU 36 0.438 6.391 -15.855 299 2HD1 LEU 36 3HD1 LEU 36 -0.751 5.157 -16.336 300 3HD1 LEU 36 1HD1 LEU 36 0.624 4.712 -15.296 301 1HD2 LEU 36 3HD2 LEU 36 -0.105 5.591 -19.031 302 2HD2 LEU 36 1HD2 LEU 36 0.851 4.112 -19.296 303 3HD2 LEU 36 2HD2 LEU 36 -0.582 4.068 -18.243 304 H THR 37 H THR 37 4.959 7.078 -19.153 305 HA THR 37 HA THR 37 4.710 9.815 -18.997 306 HB THR 37 HB THR 37 6.757 7.785 -19.684 307 HG1 THR 37 HG1 THR 37 7.892 9.460 -18.328 308 1HG2 THR 37 2HG2 THR 37 6.944 10.644 -20.765 309 2HG2 THR 37 3HG2 THR 37 8.358 9.597 -20.495 310 3HG2 THR 37 1HG2 THR 37 7.130 9.140 -21.699 311 H LYS 38 H LYS 38 3.946 7.716 -21.672 312 HA LYS 38 HA LYS 38 3.989 10.009 -23.489 313 1HB LYS 38 1HB LYS 38 5.063 7.671 -23.979 314 2HB LYS 38 2HB LYS 38 3.417 7.171 -24.313 315 1HG LYS 38 1HG LYS 38 3.349 8.316 -26.286 316 2HG LYS 38 2HG LYS 38 4.042 9.759 -25.574 317 1HD LYS 38 1HD LYS 38 6.295 8.347 -25.579 318 2HD LYS 38 2HD LYS 38 5.468 7.371 -26.778 319 1HE LYS 38 1HE LYS 38 5.384 9.111 -28.351 320 2HE LYS 38 2HE LYS 38 5.415 10.368 -27.130 321 1HZ LYS 38 1HZ LYS 38 7.764 9.072 -26.804 322 2HZ LYS 38 2HZ LYS 38 7.582 9.095 -28.426 323 3HZ LYS 38 3HZ LYS 38 7.557 10.494 -27.583 324 H PHE 39 H PHE 39 1.906 7.796 -21.680 325 HA PHE 39 HA PHE 39 -0.436 8.450 -23.176 326 1HB PHE 39 1HB PHE 39 0.497 6.717 -20.983 327 2HB PHE 39 2HB PHE 39 -1.010 7.484 -20.520 328 HD1 PHE 39 HD1 PHE 39 -2.720 7.517 -22.723 329 HD2 PHE 39 HD2 PHE 39 0.214 4.593 -21.801 330 HE1 PHE 39 HE1 PHE 39 -3.997 5.817 -24.057 331 HE2 PHE 39 HE2 PHE 39 -1.062 2.892 -23.136 332 HZ PHE 39 HZ PHE 39 -3.152 3.525 -24.247 333 H LEU 40 H LEU 40 1.326 9.786 -20.416 334 HA LEU 40 HA LEU 40 -0.458 11.022 -18.898 335 1HB LEU 40 1HB LEU 40 2.249 11.486 -19.712 336 2HB LEU 40 2HB LEU 40 1.430 13.029 -19.574 337 HG LEU 40 HG LEU 40 0.649 12.192 -17.255 338 1HD1 LEU 40 1HD1 LEU 40 2.632 10.089 -18.018 339 2HD1 LEU 40 2HD1 LEU 40 2.573 10.642 -16.327 340 3HD1 LEU 40 3HD1 LEU 40 1.118 9.958 -17.092 341 1HD2 LEU 40 1HD2 LEU 40 3.049 13.494 -18.163 342 2HD2 LEU 40 2HD2 LEU 40 2.084 13.787 -16.695 343 3HD2 LEU 40 3HD2 LEU 40 3.382 12.568 -16.679 344 H GLU 41 H GLU 41 0.748 12.564 -21.966 345 HA GLU 41 HA GLU 41 -0.898 14.662 -22.026 346 1HB GLU 41 1HB GLU 41 -0.769 14.463 -24.570 347 2HB GLU 41 2HB GLU 41 0.767 14.430 -23.725 348 1HG GLU 41 1HG GLU 41 0.405 11.798 -23.727 349 2HG GLU 41 2HG GLU 41 -0.723 12.134 -25.025 350 H GLU 42 H GLU 42 -1.665 11.346 -23.286 351 HA GLU 42 HA GLU 42 -4.301 12.117 -23.964 352 1HB GLU 42 1HB GLU 42 -2.568 9.832 -24.347 353 2HB GLU 42 2HB GLU 42 -4.105 9.267 -23.722 354 1HG GLU 42 1HG GLU 42 -5.280 9.925 -25.605 355 2HG GLU 42 2HG GLU 42 -4.290 11.347 -25.862 356 H HIS 43 H HIS 43 -6.165 10.501 -23.067 357 HA HIS 43 HA HIS 43 -7.222 9.575 -21.322 358 1HB HIS 43 1HB HIS 43 -4.840 9.140 -20.368 359 2HB HIS 43 2HB HIS 43 -5.146 10.545 -19.367 360 HD1 HIS 43 HD1 HIS 43 -7.652 10.333 -18.032 361 HD2 HIS 43 HD2 HIS 43 -5.643 6.830 -19.170 362 HE1 HIS 43 HE1 HIS 43 -8.614 8.457 -16.594 363 HE2 HIS 43 HE2 HIS 43 -7.380 6.321 -17.378 364 HA PRO 44 HA PRO 44 -9.219 13.314 -20.378 365 1HB PRO 44 1HB PRO 44 -11.484 12.298 -19.235 366 2HB PRO 44 2HB PRO 44 -11.267 12.445 -20.967 367 1HG PRO 44 1HG PRO 44 -11.148 10.019 -19.283 368 2HG PRO 44 2HG PRO 44 -11.358 10.141 -21.017 369 1HD PRO 44 1HD PRO 44 -8.956 9.419 -19.625 370 2HD PRO 44 2HD PRO 44 -9.137 9.651 -21.352 371 H GLY 45 H GLY 45 -9.406 10.900 -17.800 372 1HA GLY 45 2HA GLY 45 -8.652 11.091 -15.662 373 2HA GLY 45 1HA GLY 45 -9.847 12.372 -15.626 374 H GLY 46 H GLY 46 -6.521 11.978 -17.061 375 1HA GLY 46 2HA GLY 46 -5.666 14.333 -15.514 376 2HA GLY 46 1HA GLY 46 -5.475 14.325 -17.257 377 H GLU 47 H GLU 47 -3.132 14.481 -16.929 378 HA GLU 47 HA GLU 47 -1.750 12.289 -17.393 379 1HB GLU 47 1HB GLU 47 -1.033 14.844 -15.969 380 2HB GLU 47 2HB GLU 47 0.165 13.565 -16.009 381 1HG GLU 47 1HG GLU 47 0.717 14.195 -18.115 382 2HG GLU 47 2HG GLU 47 -0.873 13.697 -18.655 383 H GLU 48 H GLU 48 -2.545 13.541 -14.092 384 HA GLU 48 HA GLU 48 -1.105 11.741 -12.645 385 1HB GLU 48 1HB GLU 48 -3.005 13.741 -12.130 386 2HB GLU 48 2HB GLU 48 -3.737 12.299 -11.454 387 1HG GLU 48 1HG GLU 48 -1.939 11.929 -9.947 388 2HG GLU 48 2HG GLU 48 -0.819 12.898 -10.886 389 H VAL 49 H VAL 49 -4.508 11.451 -13.867 390 HA VAL 49 HA VAL 49 -5.361 9.180 -12.801 391 HB VAL 49 HB VAL 49 -6.305 10.669 -14.682 392 1HG1 VAL 49 1HG1 VAL 49 -4.287 9.630 -16.180 393 2HG1 VAL 49 2HG1 VAL 49 -5.618 8.532 -16.617 394 3HG1 VAL 49 3HG1 VAL 49 -5.796 10.287 -16.855 395 1HG2 VAL 49 1HG2 VAL 49 -7.171 8.386 -13.561 396 2HG2 VAL 49 2HG2 VAL 49 -8.054 9.222 -14.862 397 3HG2 VAL 49 3HG2 VAL 49 -7.014 7.830 -15.245 398 H LEU 50 H LEU 50 -2.667 9.500 -15.117 399 HA LEU 50 HA LEU 50 -2.399 6.595 -15.178 400 1HB LEU 50 1HB LEU 50 -0.846 8.673 -16.721 401 2HB LEU 50 2HB LEU 50 -0.868 6.942 -16.991 402 HG LEU 50 HG LEU 50 -3.557 8.022 -17.139 403 1HD1 LEU 50 1HD1 LEU 50 -1.473 9.307 -18.921 404 2HD1 LEU 50 2HD1 LEU 50 -3.223 9.315 -19.251 405 3HD1 LEU 50 3HD1 LEU 50 -2.589 10.111 -17.791 406 1HD2 LEU 50 3HD2 LEU 50 -1.861 6.091 -18.446 407 2HD2 LEU 50 1HD2 LEU 50 -3.637 6.204 -18.408 408 3HD2 LEU 50 2HD2 LEU 50 -2.717 7.082 -19.654 409 H ARG 51 H ARG 51 -0.818 9.609 -14.059 410 HA ARG 51 HA ARG 51 1.562 8.388 -13.314 411 1HB ARG 51 1HB ARG 51 0.787 10.954 -13.504 412 2HB ARG 51 2HB ARG 51 0.469 10.766 -11.791 413 1HG ARG 51 1HG ARG 51 3.080 9.628 -12.531 414 2HG ARG 51 2HG ARG 51 2.967 11.317 -12.987 415 1HD ARG 51 1HD ARG 51 1.946 11.588 -10.525 416 2HD ARG 51 2HD ARG 51 2.790 10.081 -10.232 417 HE ARG 51 HE ARG 51 4.478 12.048 -11.574 418 1HH1 ARG 51 2HH1 ARG 51 6.223 12.950 -10.406 419 2HH1 ARG 51 1HH1 ARG 51 6.281 12.799 -8.681 420 1HH2 ARG 51 2HH2 ARG 51 3.263 10.996 -8.444 421 2HH2 ARG 51 1HH2 ARG 51 4.586 11.680 -7.558 422 H GLU 52 H GLU 52 -1.543 9.043 -11.592 423 HA GLU 52 HA GLU 52 -0.655 8.287 -9.078 424 1HB GLU 52 1HB GLU 52 -3.021 8.196 -8.483 425 2HB GLU 52 2HB GLU 52 -2.750 9.566 -9.541 426 1HG GLU 52 1HG GLU 52 -3.417 7.995 -11.496 427 2HG GLU 52 2HG GLU 52 -3.974 6.872 -10.271 428 H GLN 53 H GLN 53 -1.216 6.440 -11.940 429 HA GLN 53 HA GLN 53 -1.562 4.027 -10.349 430 1HB GLN 53 1HB GLN 53 -2.235 2.962 -12.517 431 2HB GLN 53 2HB GLN 53 -3.274 4.294 -12.055 432 1HG GLN 53 1HG GLN 53 -1.961 5.820 -13.566 433 2HG GLN 53 2HG GLN 53 -0.965 4.462 -14.051 434 1HE2 GLN 53 1HE2 GLN 53 -4.125 5.928 -14.163 435 2HE2 GLN 53 2HE2 GLN 53 -4.790 4.998 -15.463 436 H ALA 54 H ALA 54 0.669 5.869 -12.305 437 HA ALA 54 HA ALA 54 2.283 3.771 -13.239 438 1HB ALA 54 1HB ALA 54 2.596 6.736 -12.774 439 2HB ALA 54 2HB ALA 54 4.012 5.755 -13.219 440 3HB ALA 54 3HB ALA 54 2.603 5.825 -14.303 441 H GLY 55 H GLY 55 3.738 2.474 -12.219 442 1HA GLY 55 2HA GLY 55 4.392 3.160 -9.418 443 2HA GLY 55 1HA GLY 55 5.609 2.608 -10.552 444 H GLY 56 H GLY 56 3.238 0.888 -11.806 445 1HA GLY 56 2HA GLY 56 2.834 -1.104 -9.733 446 2HA GLY 56 1HA GLY 56 3.917 -1.580 -11.027 447 H ASP 57 H ASP 57 1.672 -3.086 -10.789 448 HA ASP 57 HA ASP 57 0.514 -2.818 -13.279 449 1HB ASP 57 1HB ASP 57 0.542 -4.980 -12.236 450 2HB ASP 57 2HB ASP 57 -0.215 -4.376 -10.775 451 H ALA 58 H ALA 58 -1.312 -1.647 -13.962 452 HA ALA 58 HA ALA 58 -2.803 -0.249 -11.855 453 1HB ALA 58 2HB ALA 58 -1.452 0.954 -13.746 454 2HB ALA 58 3HB ALA 58 -2.812 0.473 -14.789 455 3HB ALA 58 1HB ALA 58 -3.100 1.514 -13.373 456 H THR 59 H THR 59 -2.908 -2.863 -14.065 457 HA THR 59 HA THR 59 -5.474 -2.775 -15.074 458 HB THR 59 HB THR 59 -3.336 -4.485 -15.177 459 HG1 THR 59 HG1 THR 59 -5.229 -5.930 -16.094 460 1HG2 THR 59 2HG2 THR 59 -4.101 -5.481 -12.904 461 2HG2 THR 59 3HG2 THR 59 -5.551 -6.047 -13.767 462 3HG2 THR 59 1HG2 THR 59 -3.942 -6.633 -14.250 463 H GLU 60 H GLU 60 -4.351 -3.894 -11.838 464 HA GLU 60 HA GLU 60 -6.706 -4.942 -10.980 465 1HB GLU 60 1HB GLU 60 -5.876 -4.392 -8.671 466 2HB GLU 60 2HB GLU 60 -4.669 -5.162 -9.682 467 1HG GLU 60 1HG GLU 60 -3.278 -3.404 -9.367 468 2HG GLU 60 2HG GLU 60 -4.435 -2.345 -10.149 469 H ASN 61 H ASN 61 -5.991 -1.657 -11.805 470 HA ASN 61 HA ASN 61 -8.246 -0.732 -10.226 471 1HB ASN 61 1HB ASN 61 -5.698 0.406 -10.846 472 2HB ASN 61 2HB ASN 61 -6.860 1.354 -11.752 473 1HD2 ASN 61 1HD2 ASN 61 -8.906 1.906 -10.487 474 2HD2 ASN 61 2HD2 ASN 61 -8.695 2.496 -8.872 475 H PHE 62 H PHE 62 -6.704 -0.457 -13.520 476 HA PHE 62 HA PHE 62 -8.652 0.848 -14.864 477 1HB PHE 62 1HB PHE 62 -7.040 0.308 -16.435 478 2HB PHE 62 2HB PHE 62 -6.383 -0.898 -15.348 479 HD1 PHE 62 HD1 PHE 62 -7.352 -3.236 -15.405 480 HD2 PHE 62 HD2 PHE 62 -8.244 -0.326 -18.362 481 HE1 PHE 62 HE1 PHE 62 -8.109 -5.051 -16.963 482 HE2 PHE 62 HE2 PHE 62 -9.000 -2.142 -19.921 483 HZ PHE 62 HZ PHE 62 -8.924 -4.483 -19.203 484 H GLU 63 H GLU 63 -8.828 -2.362 -13.467 485 HA GLU 63 HA GLU 63 -10.832 -3.318 -15.203 486 1HB GLU 63 1HB GLU 63 -9.480 -4.216 -12.707 487 2HB GLU 63 2HB GLU 63 -11.109 -4.826 -12.916 488 1HG GLU 63 1HG GLU 63 -9.015 -4.976 -15.128 489 2HG GLU 63 2HG GLU 63 -9.209 -6.244 -13.935 490 H ASP 64 H ASP 64 -10.805 -1.859 -11.887 491 HA ASP 64 HA ASP 64 -13.501 -2.104 -11.424 492 1HB ASP 64 1HB ASP 64 -12.238 -1.468 -9.552 493 2HB ASP 64 2HB ASP 64 -11.299 -0.292 -10.451 494 H VAL 65 H VAL 65 -11.527 0.610 -12.829 495 HA VAL 65 HA VAL 65 -13.707 2.331 -13.257 496 HB VAL 65 HB VAL 65 -11.791 3.503 -13.295 497 1HG1 VAL 65 3HG1 VAL 65 -10.531 0.996 -14.381 498 2HG1 VAL 65 1HG1 VAL 65 -9.665 2.547 -14.485 499 3HG1 VAL 65 2HG1 VAL 65 -10.155 1.906 -12.899 500 1HG2 VAL 65 2HG2 VAL 65 -12.900 3.844 -15.520 501 2HG2 VAL 65 3HG2 VAL 65 -11.158 4.209 -15.505 502 3HG2 VAL 65 1HG2 VAL 65 -11.743 2.685 -16.216 503 H GLY 66 H GLY 66 -12.979 -0.676 -14.626 504 1HA GLY 66 2HA GLY 66 -15.056 -0.840 -16.346 505 2HA GLY 66 1HA GLY 66 -13.554 -1.721 -16.545 506 H HIS 67 H HIS 67 -11.678 -0.412 -17.607 507 HA HIS 67 HA HIS 67 -12.252 1.845 -19.124 508 1HB HIS 67 1HB HIS 67 -10.101 -0.255 -19.169 509 2HB HIS 67 2HB HIS 67 -10.178 0.937 -20.453 510 HD1 HIS 67 HD1 HIS 67 -9.376 0.551 -16.806 511 HD2 HIS 67 HD2 HIS 67 -9.554 3.604 -19.677 512 HE1 HIS 67 HE1 HIS 67 -8.214 2.573 -15.772 513 HE2 HIS 67 HE2 HIS 67 -8.307 4.399 -17.602 514 H SER 68 H SER 68 -11.744 1.625 -21.721 515 HA SER 68 HA SER 68 -13.843 -0.183 -22.611 516 1HB SER 68 1HB SER 68 -14.364 1.354 -24.309 517 2HB SER 68 2HB SER 68 -13.922 2.404 -22.977 518 HG SER 68 HG SER 68 -12.305 3.176 -24.139 519 H THR 69 H THR 69 -13.508 -1.429 -24.604 520 HA THR 69 HA THR 69 -11.049 -2.674 -24.771 521 HB THR 69 HB THR 69 -13.470 -2.402 -26.598 522 HG1 THR 69 HG1 THR 69 -13.842 -4.381 -25.571 523 1HG2 THR 69 1HG2 THR 69 -11.134 -2.936 -27.812 524 2HG2 THR 69 2HG2 THR 69 -11.351 -4.520 -27.028 525 3HG2 THR 69 3HG2 THR 69 -12.579 -3.916 -28.166 526 H ASP 70 H ASP 70 -12.059 0.423 -26.057 527 HA ASP 70 HA ASP 70 -10.132 0.476 -28.109 528 1HB ASP 70 1HB ASP 70 -12.200 1.903 -28.042 529 2HB ASP 70 2HB ASP 70 -11.551 2.760 -26.659 530 H ALA 71 H ALA 71 -10.434 1.825 -24.750 531 HA ALA 71 HA ALA 71 -8.071 3.251 -24.668 532 1HB ALA 71 1HB ALA 71 -8.824 1.842 -22.180 533 2HB ALA 71 3HB ALA 71 -10.168 2.703 -22.969 534 3HB ALA 71 2HB ALA 71 -8.692 3.586 -22.512 535 H ARG 72 H ARG 72 -8.732 -0.228 -23.925 536 HA ARG 72 HA ARG 72 -6.170 -0.792 -23.076 537 1HB ARG 72 1HB ARG 72 -8.103 -2.686 -24.503 538 2HB ARG 72 2HB ARG 72 -6.796 -3.161 -23.438 539 1HG ARG 72 1HG ARG 72 -7.924 -1.833 -21.578 540 2HG ARG 72 2HG ARG 72 -9.278 -1.565 -22.658 541 1HD ARG 72 1HD ARG 72 -9.933 -3.479 -21.412 542 2HD ARG 72 2HD ARG 72 -9.366 -4.154 -22.927 543 HE ARG 72 HE ARG 72 -7.273 -3.918 -20.879 544 1HH1 ARG 72 2HH1 ARG 72 -6.362 -5.855 -20.078 545 2HH1 ARG 72 1HH1 ARG 72 -7.139 -7.371 -20.393 546 1HH2 ARG 72 2HH2 ARG 72 -9.794 -5.965 -22.231 547 2HH2 ARG 72 1HH2 ARG 72 -9.103 -7.434 -21.625 548 H GLU 73 H GLU 73 -7.761 -1.294 -26.312 549 HA GLU 73 HA GLU 73 -5.621 -2.372 -27.599 550 1HB GLU 73 1HB GLU 73 -8.186 -1.551 -28.284 551 2HB GLU 73 2HB GLU 73 -7.192 -0.482 -29.252 552 1HG GLU 73 1HG GLU 73 -5.887 -2.557 -30.019 553 2HG GLU 73 2HG GLU 73 -7.104 -3.532 -29.219 554 H LEU 74 H LEU 74 -6.470 1.105 -27.104 555 HA LEU 74 HA LEU 74 -4.440 2.160 -28.693 556 1HB LEU 74 1HB LEU 74 -5.559 3.981 -28.189 557 2HB LEU 74 2HB LEU 74 -6.507 3.085 -27.019 558 HG LEU 74 HG LEU 74 -4.518 3.550 -25.396 559 1HD1 LEU 74 1HD1 LEU 74 -3.163 4.491 -27.403 560 2HD1 LEU 74 2HD1 LEU 74 -4.108 5.974 -27.125 561 3HD1 LEU 74 3HD1 LEU 74 -3.082 5.317 -25.827 562 1HD2 LEU 74 1HD2 LEU 74 -6.940 4.909 -26.013 563 2HD2 LEU 74 2HD2 LEU 74 -6.081 4.809 -24.457 564 3HD2 LEU 74 3HD2 LEU 74 -5.717 6.131 -25.593 565 H SER 75 H SER 75 -4.489 0.947 -25.326 566 HA SER 75 HA SER 75 -2.031 2.008 -24.601 567 1HB SER 75 1HB SER 75 -2.777 -0.630 -23.437 568 2HB SER 75 2HB SER 75 -2.357 0.866 -22.629 569 HG SER 75 HG SER 75 -4.569 1.620 -23.518 570 H LYS 76 H LYS 76 -2.999 -0.859 -26.468 571 HA LYS 76 HA LYS 76 -0.643 -2.327 -26.241 572 1HB LYS 76 1HB LYS 76 -1.704 -3.756 -27.600 573 2HB LYS 76 2HB LYS 76 -3.086 -2.696 -27.398 574 1HG LYS 76 1HG LYS 76 -2.152 -1.353 -29.418 575 2HG LYS 76 2HG LYS 76 -1.073 -2.708 -29.684 576 1HD LYS 76 1HD LYS 76 -3.755 -3.732 -29.281 577 2HD LYS 76 2HD LYS 76 -3.821 -2.455 -30.478 578 1HE LYS 76 1HE LYS 76 -1.520 -4.290 -30.856 579 2HE LYS 76 2HE LYS 76 -3.072 -5.096 -30.972 580 1HZ LYS 76 2HZ LYS 76 -3.399 -2.798 -32.369 581 2HZ LYS 76 3HZ LYS 76 -1.885 -3.268 -32.768 582 3HZ LYS 76 1HZ LYS 76 -3.144 -4.280 -33.005 583 H THR 77 H THR 77 -1.267 0.740 -27.693 584 HA THR 77 HA THR 77 0.945 0.474 -29.574 585 HB THR 77 HB THR 77 0.047 2.460 -30.540 586 HG1 THR 77 HG1 THR 77 -1.532 2.825 -28.120 587 1HG2 THR 77 3HG2 THR 77 -1.692 0.556 -30.530 588 2HG2 THR 77 1HG2 THR 77 -2.410 1.341 -29.103 589 3HG2 THR 77 2HG2 THR 77 -2.367 2.197 -30.664 590 H PHE 78 H PHE 78 0.329 1.458 -26.307 591 HA PHE 78 HA PHE 78 2.751 3.092 -26.317 592 1HB PHE 78 1HB PHE 78 0.353 2.622 -24.470 593 2HB PHE 78 2HB PHE 78 1.785 3.419 -23.851 594 HD1 PHE 78 HD1 PHE 78 2.065 5.718 -24.138 595 HD2 PHE 78 HD2 PHE 78 -0.767 3.670 -26.543 596 HE1 PHE 78 HE1 PHE 78 1.226 7.914 -25.018 597 HE2 PHE 78 HE2 PHE 78 -1.607 5.866 -27.424 598 HZ PHE 78 HZ PHE 78 -0.602 7.961 -26.650 599 H ILE 79 H ILE 79 1.804 -0.117 -25.881 600 HA ILE 79 HA ILE 79 3.013 -0.882 -23.524 601 HB ILE 79 HB ILE 79 2.311 -2.186 -26.099 602 1HG1 ILE 79 1HG1 ILE 79 1.536 -2.405 -23.203 603 2HG1 ILE 79 2HG1 ILE 79 0.529 -2.082 -24.599 604 1HG2 ILE 79 1HG2 ILE 79 4.090 -3.479 -24.014 605 2HG2 ILE 79 2HG2 ILE 79 3.228 -4.349 -25.306 606 3HG2 ILE 79 3HG2 ILE 79 4.486 -3.160 -25.721 607 1HD1 ILE 79 3HD1 ILE 79 1.193 -4.471 -25.408 608 2HD1 ILE 79 1HD1 ILE 79 1.751 -4.724 -23.737 609 3HD1 ILE 79 2HD1 ILE 79 0.043 -4.341 -24.058 610 H ILE 80 H ILE 80 5.076 -0.928 -22.799 611 HA ILE 80 HA ILE 80 7.162 -0.502 -24.819 612 HB ILE 80 HB ILE 80 8.367 0.169 -22.522 613 1HG1 ILE 80 1HG1 ILE 80 6.636 1.643 -21.306 614 2HG1 ILE 80 2HG1 ILE 80 5.419 0.635 -22.066 615 1HG2 ILE 80 2HG2 ILE 80 6.613 1.968 -24.215 616 2HG2 ILE 80 3HG2 ILE 80 7.904 2.512 -23.120 617 3HG2 ILE 80 1HG2 ILE 80 8.303 1.518 -24.541 618 1HD1 ILE 80 2HD1 ILE 80 6.736 -1.394 -21.127 619 2HD1 ILE 80 3HD1 ILE 80 7.598 -0.208 -20.119 620 3HD1 ILE 80 1HD1 ILE 80 5.835 -0.401 -19.958 621 H GLY 81 H GLY 81 5.815 -2.663 -22.438 622 1HA GLY 81 2HA GLY 81 8.076 -4.090 -21.642 623 2HA GLY 81 1HA GLY 81 7.545 -4.767 -23.168 624 H GLU 82 H GLU 82 7.496 -6.054 -20.510 625 HA GLU 82 HA GLU 82 4.736 -6.025 -19.756 626 1HB GLU 82 1HB GLU 82 5.746 -8.757 -20.476 627 2HB GLU 82 2HB GLU 82 4.106 -8.139 -20.481 628 1HG GLU 82 1HG GLU 82 4.559 -6.825 -22.524 629 2HG GLU 82 2HG GLU 82 6.247 -7.293 -22.489 630 H LEU 83 H LEU 83 4.354 -7.446 -17.794 631 HA LEU 83 HA LEU 83 6.483 -7.113 -15.982 632 1HB LEU 83 1HB LEU 83 3.968 -7.079 -15.572 633 2HB LEU 83 2HB LEU 83 4.040 -8.831 -15.591 634 HG LEU 83 HG LEU 83 4.459 -8.763 -13.413 635 1HD1 LEU 83 1HD1 LEU 83 7.039 -7.429 -14.268 636 2HD1 LEU 83 2HD1 LEU 83 6.722 -8.058 -12.633 637 3HD1 LEU 83 3HD1 LEU 83 6.740 -9.167 -14.024 638 1HD2 LEU 83 1HD2 LEU 83 3.828 -6.113 -13.878 639 2HD2 LEU 83 2HD2 LEU 83 3.971 -6.902 -12.290 640 3HD2 LEU 83 3HD2 LEU 83 5.358 -6.021 -12.974 641 H HIS 84 H HIS 84 8.189 -8.401 -15.511 642 HA HIS 84 HA HIS 84 8.494 -10.805 -17.004 643 1HB HIS 84 1HB HIS 84 10.173 -8.929 -15.763 644 2HB HIS 84 2HB HIS 84 10.435 -10.418 -14.877 645 HD1 HIS 84 HD1 HIS 84 12.890 -10.285 -16.014 646 HD2 HIS 84 HD2 HIS 84 9.683 -11.084 -18.599 647 HE1 HIS 84 HE1 HIS 84 13.915 -11.206 -18.161 648 HE2 HIS 84 HE2 HIS 84 11.894 -11.729 -19.691 649 HA PRO 85 HA PRO 85 7.553 -13.731 -13.929 650 1HB PRO 85 1HB PRO 85 9.735 -15.328 -13.535 651 2HB PRO 85 2HB PRO 85 8.677 -15.477 -14.923 652 1HG PRO 85 1HG PRO 85 11.390 -14.312 -14.776 653 2HG PRO 85 2HG PRO 85 10.503 -14.853 -16.187 654 1HD PRO 85 1HD PRO 85 10.908 -12.140 -15.351 655 2HD PRO 85 2HD PRO 85 9.925 -12.686 -16.695 656 H ASP 86 H ASP 86 9.361 -11.245 -13.104 657 HA ASP 86 HA ASP 86 10.232 -12.137 -10.568 658 1HB ASP 86 1HB ASP 86 11.492 -10.299 -11.101 659 2HB ASP 86 2HB ASP 86 10.264 -9.651 -12.171 660 H ASP 87 H ASP 87 7.266 -10.908 -12.001 661 HA ASP 87 HA ASP 87 5.860 -11.303 -9.610 662 1HB ASP 87 1HB ASP 87 6.425 -8.461 -10.522 663 2HB ASP 87 2HB ASP 87 4.945 -8.832 -9.661 664 H ARG 88 H ARG 88 5.625 -12.424 -12.150 665 HA ARG 88 HA ARG 88 3.871 -10.932 -13.775 666 1HB ARG 88 1HB ARG 88 5.308 -13.476 -13.889 667 2HB ARG 88 2HB ARG 88 3.659 -13.701 -14.441 668 1HG ARG 88 1HG ARG 88 3.909 -12.243 -16.258 669 2HG ARG 88 2HG ARG 88 5.151 -11.292 -15.467 670 1HD ARG 88 1HD ARG 88 6.647 -12.450 -16.743 671 2HD ARG 88 2HD ARG 88 6.368 -13.796 -15.657 672 HE ARG 88 HE ARG 88 4.295 -14.086 -17.422 673 1HH1 ARG 88 2HH1 ARG 88 4.346 -15.211 -19.410 674 2HH1 ARG 88 1HH1 ARG 88 5.836 -15.368 -20.278 675 1HH2 ARG 88 2HH2 ARG 88 7.743 -13.584 -17.912 676 2HH2 ARG 88 1HH2 ARG 88 7.782 -14.436 -19.421 677 H SER 89 H SER 89 3.335 -14.255 -12.398 678 HA SER 89 HA SER 89 0.604 -14.090 -12.509 679 1HB SER 89 1HB SER 89 2.337 -16.077 -11.999 680 2HB SER 89 2HB SER 89 1.905 -15.722 -10.338 681 HG SER 89 HG SER 89 0.555 -17.277 -11.954 682 H LYS 90 H LYS 90 2.776 -12.405 -10.471 683 HA LYS 90 HA LYS 90 1.184 -12.336 -8.117 684 1HB LYS 90 1HB LYS 90 3.682 -11.073 -9.111 685 2HB LYS 90 2HB LYS 90 2.794 -10.169 -7.902 686 1HG LYS 90 1HG LYS 90 3.396 -13.133 -7.543 687 2HG LYS 90 2HG LYS 90 4.549 -11.902 -7.067 688 1HD LYS 90 1HD LYS 90 2.710 -10.833 -5.654 689 2HD LYS 90 2HD LYS 90 1.697 -12.215 -6.025 690 1HE LYS 90 1HE LYS 90 3.456 -13.734 -5.041 691 2HE LYS 90 2HE LYS 90 4.408 -12.325 -4.617 692 1HZ LYS 90 1HZ LYS 90 2.024 -11.725 -3.587 693 2HZ LYS 90 2HZ LYS 90 2.050 -13.344 -3.377 694 3HZ LYS 90 3HZ LYS 90 3.241 -12.419 -2.748 695 H ILE 91 H ILE 91 1.182 -10.687 -11.224 696 HA ILE 91 HA ILE 91 -0.928 -8.932 -10.176 697 HB ILE 91 HB ILE 91 -0.147 -7.129 -11.327 698 1HG1 ILE 91 1HG1 ILE 91 1.540 -8.896 -13.121 699 2HG1 ILE 91 2HG1 ILE 91 -0.069 -8.332 -13.523 700 1HG2 ILE 91 1HG2 ILE 91 1.658 -8.421 -9.704 701 2HG2 ILE 91 2HG2 ILE 91 2.617 -8.092 -11.167 702 3HG2 ILE 91 3HG2 ILE 91 1.808 -6.756 -10.313 703 1HD1 ILE 91 2HD1 ILE 91 1.960 -6.283 -12.646 704 2HD1 ILE 91 3HD1 ILE 91 2.095 -6.966 -14.285 705 3HD1 ILE 91 1HD1 ILE 91 0.609 -6.118 -13.793 706 H THR 92 H THR 92 0.356 -10.963 -12.832 707 HA THR 92 HA THR 92 -1.404 -10.635 -14.820 708 HB THR 92 HB THR 92 0.487 -12.515 -14.087 709 HG1 THR 92 HG1 THR 92 -1.658 -12.701 -16.086 710 1HG2 THR 92 3HG2 THR 92 -1.423 -13.815 -12.900 711 2HG2 THR 92 1HG2 THR 92 -2.125 -14.037 -14.520 712 3HG2 THR 92 2HG2 THR 92 -0.520 -14.708 -14.145 713 H LYS 93 H LYS 93 -3.535 -10.605 -15.146 714 HA LYS 93 HA LYS 93 -5.700 -10.856 -14.798 715 1HB LYS 93 1HB LYS 93 -4.808 -13.339 -14.860 716 2HB LYS 93 2HB LYS 93 -5.280 -13.343 -13.172 717 1HG LYS 93 1HG LYS 93 -7.565 -12.968 -13.667 718 2HG LYS 93 2HG LYS 93 -7.219 -12.279 -15.241 719 1HD LYS 93 1HD LYS 93 -6.762 -14.416 -16.213 720 2HD LYS 93 2HD LYS 93 -6.540 -15.181 -14.652 721 1HE LYS 93 1HE LYS 93 -9.001 -14.741 -14.159 722 2HE LYS 93 2HE LYS 93 -9.177 -14.152 -15.800 723 1HZ LYS 93 2HZ LYS 93 -7.886 -16.688 -15.636 724 2HZ LYS 93 3HZ LYS 93 -9.413 -16.706 -15.055 725 3HZ LYS 93 1HZ LYS 93 -9.127 -16.211 -16.585 726 HA PRO 94 HA PRO 94 -6.357 -8.999 -10.948 727 1HB PRO 94 1HB PRO 94 -9.056 -8.596 -11.086 728 2HB PRO 94 2HB PRO 94 -7.888 -7.534 -11.847 729 1HG PRO 94 1HG PRO 94 -9.650 -9.551 -13.099 730 2HG PRO 94 2HG PRO 94 -8.807 -8.211 -13.851 731 1HD PRO 94 1HD PRO 94 -8.061 -10.978 -13.946 732 2HD PRO 94 2HD PRO 94 -7.158 -9.626 -14.600 733 H SER 95 H SER 95 -8.563 -9.118 -9.266 734 HA SER 95 HA SER 95 -8.709 -11.965 -8.724 735 1HB SER 95 1HB SER 95 -6.922 -10.560 -7.327 736 2HB SER 95 2HB SER 95 -8.330 -10.055 -6.417 737 HG SER 95 HG SER 95 -7.802 -11.882 -5.346 738 H GLU 96 H GLU 96 -10.464 -12.375 -6.934 739 HA GLU 96 HA GLU 96 -12.624 -10.494 -7.472 740 1HB GLU 96 1HB GLU 96 -12.478 -13.319 -7.744 741 2HB GLU 96 2HB GLU 96 -13.500 -13.040 -6.350 742 1HG GLU 96 1HG GLU 96 -14.363 -11.114 -8.226 743 2HG GLU 96 2HG GLU 96 -14.057 -12.543 -9.195 744 H SER 97 H SER 97 -14.431 -10.862 -5.535 745 HA SER 97 HA SER 97 -13.223 -11.193 -2.993 746 1HB SER 97 1HB SER 97 -13.825 -8.832 -2.223 747 2HB SER 97 2HB SER 97 -12.419 -8.955 -3.262 748 HG SER 97 HG SER 97 -14.225 -7.265 -3.711 749 H ILE 98 H ILE 98 -15.007 -10.359 -1.236 750 HA ILE 98 HA ILE 98 -17.681 -10.699 -2.337 751 HB ILE 98 HB ILE 98 -16.517 -12.921 -1.574 752 1HG1 ILE 98 1HG1 ILE 98 -18.942 -13.450 -0.496 753 2HG1 ILE 98 2HG1 ILE 98 -19.308 -11.940 -1.305 754 1HG2 ILE 98 3HG2 ILE 98 -15.932 -11.847 0.675 755 2HG2 ILE 98 1HG2 ILE 98 -17.649 -12.063 1.086 756 3HG2 ILE 98 2HG2 ILE 98 -16.643 -13.479 0.698 757 1HD1 ILE 98 1HD1 ILE 98 -17.674 -13.765 -2.964 758 2HD1 ILE 98 2HD1 ILE 98 -19.263 -14.434 -2.521 759 3HD1 ILE 98 3HD1 ILE 98 -19.159 -12.877 -3.378 760 H ILE 99 H ILE 99 -19.294 -9.660 -1.118 761 HA ILE 99 HA ILE 99 -18.380 -8.352 1.331 762 HB ILE 99 HB ILE 99 -18.165 -6.896 -0.771 763 1HG1 ILE 99 1HG1 ILE 99 -19.281 -4.934 0.560 764 2HG1 ILE 99 2HG1 ILE 99 -19.519 -6.143 1.806 765 1HG2 ILE 99 3HG2 ILE 99 -21.175 -6.923 -0.449 766 2HG2 ILE 99 1HG2 ILE 99 -20.271 -5.700 -1.374 767 3HG2 ILE 99 2HG2 ILE 99 -20.229 -7.407 -1.877 768 1HD1 ILE 99 1HD1 ILE 99 -16.923 -6.670 1.241 769 2HD1 ILE 99 2HD1 ILE 99 -16.969 -4.955 0.769 770 3HD1 ILE 99 3HD1 ILE 99 -17.409 -5.434 2.425 771 H THR 100 H THR 100 -20.025 -8.010 2.880 772 HA THR 100 HA THR 100 -22.493 -9.481 2.263 773 HB THR 100 HB THR 100 -20.973 -8.888 4.851 774 HG1 THR 100 HG1 THR 100 -20.327 -10.637 3.291 775 1HG2 THR 100 3HG2 THR 100 -23.669 -10.242 4.352 776 2HG2 THR 100 1HG2 THR 100 -22.692 -10.550 5.808 777 3HG2 THR 100 2HG2 THR 100 -23.321 -8.916 5.488 778 H THR 101 H THR 101 -24.475 -8.679 3.502 779 HA THR 101 HA THR 101 -24.452 -5.749 3.668 780 HB THR 101 HB THR 101 -25.244 -6.581 1.381 781 HG1 THR 101 HG1 THR 101 -27.249 -5.464 3.211 782 1HG2 THR 101 3HG2 THR 101 -27.318 -7.871 3.199 783 2HG2 THR 101 1HG2 THR 101 -27.761 -7.326 1.564 784 3HG2 THR 101 2HG2 THR 101 -26.507 -8.570 1.776 785 H ILE 102 H ILE 102 -25.988 -4.832 5.091 786 HA ILE 102 HA ILE 102 -27.204 -6.830 6.869 787 HB ILE 102 HB ILE 102 -25.180 -5.539 7.719 788 1HG1 ILE 102 1HG1 ILE 102 -27.344 -4.951 9.628 789 2HG1 ILE 102 2HG1 ILE 102 -27.404 -6.574 8.971 790 1HG2 ILE 102 3HG2 ILE 102 -27.207 -3.304 7.577 791 2HG2 ILE 102 1HG2 ILE 102 -25.827 -3.280 8.702 792 3HG2 ILE 102 2HG2 ILE 102 -25.542 -3.345 6.946 793 1HD1 ILE 102 3HD1 ILE 102 -24.729 -6.407 9.466 794 2HD1 ILE 102 1HD1 ILE 102 -25.343 -5.309 10.726 795 3HD1 ILE 102 2HD1 ILE 102 -25.905 -6.996 10.665 796 H ASP 103 H ASP 103 -29.022 -5.623 8.261 797 HA ASP 103 HA ASP 103 -30.499 -3.962 6.376 798 1HB ASP 103 1HB ASP 103 -32.579 -5.093 7.475 799 2HB ASP 103 2HB ASP 103 -31.685 -6.000 6.270 800 H SER 104 H SER 104 -32.474 -2.885 7.720 801 HA SER 104 HA SER 104 -31.254 -1.884 10.157 802 1HB SER 104 1HB SER 104 -32.325 -0.529 8.011 803 2HB SER 104 2HB SER 104 -33.702 -0.563 9.094 804 HG SER 104 HG SER 104 -32.771 1.059 10.120 No H/Q in entry = 804 Start of MODEL 32 1 H ALA 1 H ALA 1 32.762 2.527 -30.528 2 HA ALA 1 HA ALA 1 34.174 0.240 -31.551 3 1HB ALA 1 3HB ALA 1 34.144 1.723 -29.178 4 2HB ALA 1 2HB ALA 1 35.020 0.201 -29.463 5 3HB ALA 1 1HB ALA 1 33.398 0.170 -28.731 6 H GLU 2 H GLU 2 31.159 0.774 -29.583 7 HA GLU 2 HA GLU 2 29.559 -0.824 -31.075 8 1HB GLU 2 1HB GLU 2 31.452 -2.464 -29.811 9 2HB GLU 2 2HB GLU 2 30.039 -2.609 -28.783 10 1HG GLU 2 1HG GLU 2 28.691 -3.483 -30.523 11 2HG GLU 2 2HG GLU 2 29.701 -2.808 -31.786 12 H GLU 3 H GLU 3 27.454 -1.317 -29.938 13 HA GLU 3 HA GLU 3 26.923 -0.817 -27.351 14 1HB GLU 3 1HB GLU 3 27.658 1.640 -28.596 15 2HB GLU 3 2HB GLU 3 25.922 1.713 -28.372 16 1HG GLU 3 1HG GLU 3 26.573 0.723 -25.942 17 2HG GLU 3 2HG GLU 3 28.101 1.503 -26.303 18 H SER 4 H SER 4 24.723 -1.232 -26.947 19 HA SER 4 HA SER 4 22.695 -0.622 -28.704 20 1HB SER 4 1HB SER 4 23.897 -2.362 -30.125 21 2HB SER 4 2HB SER 4 23.514 -3.553 -28.898 22 HG SER 4 HG SER 4 21.440 -1.936 -30.072 23 H SER 5 H SER 5 20.689 -1.010 -27.674 24 HA SER 5 HA SER 5 19.917 -2.954 -26.096 25 1HB SER 5 1HB SER 5 21.911 -1.291 -24.618 26 2HB SER 5 2HB SER 5 20.445 -1.669 -23.734 27 HG SER 5 HG SER 5 21.178 -3.963 -24.908 28 H LYS 6 H LYS 6 17.764 -2.521 -25.627 29 HA LYS 6 HA LYS 6 16.746 -0.248 -24.526 30 1HB LYS 6 1HB LYS 6 17.637 0.351 -27.143 31 2HB LYS 6 2HB LYS 6 15.890 0.263 -27.238 32 1HG LYS 6 1HG LYS 6 15.940 1.714 -25.029 33 2HG LYS 6 2HG LYS 6 17.594 2.066 -25.491 34 1HD LYS 6 1HD LYS 6 16.938 3.149 -27.510 35 2HD LYS 6 2HD LYS 6 15.357 2.393 -27.516 36 1HE LYS 6 1HE LYS 6 14.495 4.178 -26.416 37 2HE LYS 6 2HE LYS 6 15.552 3.856 -25.055 38 1HZ LYS 6 3HZ LYS 6 17.141 5.006 -26.947 39 2HZ LYS 6 1HZ LYS 6 15.756 5.871 -27.003 40 3HZ LYS 6 2HZ LYS 6 16.568 5.718 -25.594 41 H ALA 7 H ALA 7 14.235 -0.011 -25.323 42 HA ALA 7 HA ALA 7 12.262 -1.006 -25.431 43 1HB ALA 7 2HB ALA 7 12.198 -3.237 -26.772 44 2HB ALA 7 1HB ALA 7 13.920 -2.918 -27.090 45 3HB ALA 7 3HB ALA 7 12.686 -1.752 -27.624 46 H VAL 8 H VAL 8 12.186 -1.212 -23.125 47 HA VAL 8 HA VAL 8 13.354 -3.011 -21.531 48 HB VAL 8 HB VAL 8 12.036 -1.642 -20.338 49 1HG1 VAL 8 2HG1 VAL 8 10.362 -1.642 -22.779 50 2HG1 VAL 8 3HG1 VAL 8 9.486 -1.348 -21.257 51 3HG1 VAL 8 1HG1 VAL 8 10.850 -0.299 -21.716 52 1HG2 VAL 8 2HG2 VAL 8 11.369 -3.986 -19.734 53 2HG2 VAL 8 3HG2 VAL 8 10.145 -2.752 -19.352 54 3HG2 VAL 8 1HG2 VAL 8 9.942 -3.794 -20.782 55 H LYS 9 H LYS 9 10.098 -3.648 -23.029 56 HA LYS 9 HA LYS 9 9.255 -5.510 -23.896 57 1HB LYS 9 1HB LYS 9 12.066 -5.967 -24.175 58 2HB LYS 9 2HB LYS 9 11.325 -7.466 -23.653 59 1HG LYS 9 1HG LYS 9 9.582 -7.172 -25.480 60 2HG LYS 9 2HG LYS 9 10.468 -5.770 -26.043 61 1HD LYS 9 1HD LYS 9 12.260 -8.069 -25.686 62 2HD LYS 9 2HD LYS 9 10.932 -8.468 -26.759 63 1HE LYS 9 1HE LYS 9 11.718 -7.116 -28.426 64 2HE LYS 9 2HE LYS 9 12.045 -5.793 -27.323 65 1HZ LYS 9 3HZ LYS 9 13.765 -8.148 -27.315 66 2HZ LYS 9 1HZ LYS 9 13.983 -6.981 -28.435 67 3HZ LYS 9 2HZ LYS 9 14.114 -6.623 -26.848 68 H TYR 10 H TYR 10 11.531 -6.346 -21.187 69 HA TYR 10 HA TYR 10 9.197 -7.378 -19.746 70 1HB TYR 10 1HB TYR 10 11.598 -8.900 -19.159 71 2HB TYR 10 2HB TYR 10 10.133 -9.498 -19.910 72 HD1 TYR 10 HD1 TYR 10 10.030 -9.945 -22.264 73 HD2 TYR 10 HD2 TYR 10 13.462 -8.012 -20.592 74 HE1 TYR 10 HE1 TYR 10 11.298 -10.300 -24.439 75 HE2 TYR 10 HE2 TYR 10 14.719 -8.374 -22.773 76 HH TYR 10 HH TYR 10 13.362 -10.336 -25.332 77 H TYR 11 H TYR 11 9.035 -6.275 -17.862 78 HA TYR 11 HA TYR 11 11.558 -5.537 -16.542 79 1HB TYR 11 1HB TYR 11 9.247 -4.000 -17.556 80 2HB TYR 11 2HB TYR 11 9.380 -3.788 -15.822 81 HD1 TYR 11 HD1 TYR 11 9.974 -1.460 -15.877 82 HD2 TYR 11 HD2 TYR 11 12.308 -4.328 -18.027 83 HE1 TYR 11 HE1 TYR 11 11.795 0.280 -16.232 84 HE2 TYR 11 HE2 TYR 11 14.121 -2.580 -18.376 85 HH TYR 11 HH TYR 11 14.338 -0.203 -18.444 86 H THR 12 H THR 12 11.152 -5.009 -14.128 87 HA THR 12 HA THR 12 9.312 -7.060 -13.096 88 HB THR 12 HB THR 12 10.882 -7.205 -11.220 89 HG1 THR 12 HG1 THR 12 12.694 -5.617 -11.293 90 1HG2 THR 12 1HG2 THR 12 12.490 -6.838 -13.804 91 2HG2 THR 12 2HG2 THR 12 13.045 -7.692 -12.344 92 3HG2 THR 12 3HG2 THR 12 11.702 -8.355 -13.305 93 H LEU 13 H LEU 13 8.015 -6.623 -11.242 94 HA LEU 13 HA LEU 13 6.561 -4.358 -11.338 95 1HB LEU 13 1HB LEU 13 7.084 -6.445 -9.325 96 2HB LEU 13 2HB LEU 13 6.426 -4.952 -8.686 97 HG LEU 13 HG LEU 13 5.194 -6.818 -10.714 98 1HD1 LEU 13 2HD1 LEU 13 4.901 -6.377 -7.881 99 2HD1 LEU 13 3HD1 LEU 13 3.364 -6.052 -8.720 100 3HD1 LEU 13 1HD1 LEU 13 4.172 -7.626 -8.920 101 1HD2 LEU 13 1HD2 LEU 13 4.578 -3.925 -10.202 102 2HD2 LEU 13 2HD2 LEU 13 4.645 -4.822 -11.737 103 3HD2 LEU 13 3HD2 LEU 13 3.273 -5.058 -10.629 104 H GLU 14 H GLU 14 9.687 -4.864 -9.661 105 HA GLU 14 HA GLU 14 9.610 -2.454 -8.259 106 1HB GLU 14 1HB GLU 14 11.419 -4.668 -8.624 107 2HB GLU 14 2HB GLU 14 12.330 -3.188 -8.855 108 1HG GLU 14 1HG GLU 14 12.433 -3.627 -6.504 109 2HG GLU 14 2HG GLU 14 11.275 -2.323 -6.676 110 H GLU 15 H GLU 15 11.214 -3.409 -11.376 111 HA GLU 15 HA GLU 15 12.407 -1.041 -11.929 112 1HB GLU 15 1HB GLU 15 11.094 -3.008 -13.853 113 2HB GLU 15 2HB GLU 15 12.192 -1.737 -14.352 114 1HG GLU 15 1HG GLU 15 13.068 -3.639 -12.168 115 2HG GLU 15 2HG GLU 15 13.093 -4.197 -13.829 116 H ILE 16 H ILE 16 8.974 -1.985 -12.312 117 HA ILE 16 HA ILE 16 8.319 0.405 -13.751 118 HB ILE 16 HB ILE 16 6.437 -1.527 -12.411 119 1HG1 ILE 16 1HG1 ILE 16 6.993 -1.982 -15.257 120 2HG1 ILE 16 2HG1 ILE 16 8.380 -2.285 -14.230 121 1HG2 ILE 16 3HG2 ILE 16 6.044 0.838 -13.894 122 2HG2 ILE 16 1HG2 ILE 16 5.609 -0.509 -14.971 123 3HG2 ILE 16 2HG2 ILE 16 4.825 -0.353 -13.382 124 1HD1 ILE 16 3HD1 ILE 16 6.006 -3.368 -12.953 125 2HD1 ILE 16 1HD1 ILE 16 6.121 -3.971 -14.626 126 3HD1 ILE 16 2HD1 ILE 16 7.472 -4.222 -13.493 127 H GLN 17 H GLN 17 8.356 -0.741 -10.373 128 HA GLN 17 HA GLN 17 6.725 1.221 -9.321 129 1HB GLN 17 1HB GLN 17 7.932 -0.961 -8.305 130 2HB GLN 17 2HB GLN 17 9.084 0.231 -7.737 131 1HG GLN 17 1HG GLN 17 6.362 1.184 -7.276 132 2HG GLN 17 2HG GLN 17 6.558 -0.417 -6.589 133 1HE2 GLN 17 1HE2 GLN 17 6.211 0.847 -4.603 134 2HE2 GLN 17 2HE2 GLN 17 7.577 1.539 -3.793 135 H LYS 18 H LYS 18 10.187 1.214 -10.222 136 HA LYS 18 HA LYS 18 10.797 3.649 -8.912 137 1HB LYS 18 1HB LYS 18 12.240 2.332 -11.228 138 2HB LYS 18 2HB LYS 18 12.892 3.521 -10.119 139 1HG LYS 18 1HG LYS 18 11.772 0.865 -9.131 140 2HG LYS 18 2HG LYS 18 13.437 1.022 -9.654 141 1HD LYS 18 1HD LYS 18 12.124 2.680 -7.449 142 2HD LYS 18 2HD LYS 18 13.197 1.321 -7.184 143 1HE LYS 18 1HE LYS 18 14.833 2.739 -8.780 144 2HE LYS 18 2HE LYS 18 13.849 4.078 -8.225 145 1HZ LYS 18 1HZ LYS 18 14.310 3.335 -5.952 146 2HZ LYS 18 2HZ LYS 18 15.322 2.189 -6.526 147 3HZ LYS 18 3HZ LYS 18 15.664 3.770 -6.755 148 H HIS 19 H HIS 19 9.337 2.744 -12.010 149 HA HIS 19 HA HIS 19 9.718 5.363 -13.112 150 1HB HIS 19 1HB HIS 19 8.303 2.857 -14.014 151 2HB HIS 19 2HB HIS 19 8.105 4.369 -14.877 152 HD1 HIS 19 HD1 HIS 19 10.782 5.535 -15.241 153 HD2 HIS 19 HD2 HIS 19 10.217 1.378 -15.253 154 HE1 HIS 19 HE1 HIS 19 12.786 4.546 -16.470 155 HE2 HIS 19 HE2 HIS 19 12.411 1.986 -16.398 156 H ASN 20 H ASN 20 8.736 6.800 -11.614 157 HA ASN 20 HA ASN 20 5.833 6.588 -11.645 158 1HB ASN 20 1HB ASN 20 7.484 6.361 -9.352 159 2HB ASN 20 2HB ASN 20 6.902 8.013 -9.292 160 1HD2 ASN 20 1HD2 ASN 20 6.171 4.705 -8.901 161 2HD2 ASN 20 2HD2 ASN 20 4.498 4.831 -8.473 162 H ASN 21 H ASN 21 8.112 8.097 -13.160 163 HA ASN 21 HA ASN 21 7.558 10.804 -12.328 164 1HB ASN 21 1HB ASN 21 9.386 9.754 -14.552 165 2HB ASN 21 2HB ASN 21 9.336 11.409 -13.976 166 1HD2 ASN 21 1HD2 ASN 21 9.836 11.812 -11.716 167 2HD2 ASN 21 2HD2 ASN 21 11.012 10.834 -10.902 168 H SER 22 H SER 22 6.527 12.342 -13.780 169 HA SER 22 HA SER 22 4.645 11.190 -15.504 170 1HB SER 22 1HB SER 22 4.105 13.597 -16.056 171 2HB SER 22 2HB SER 22 4.090 13.232 -14.343 172 HG SER 22 HG SER 22 6.405 14.323 -15.692 173 H LYS 23 H LYS 23 7.877 11.339 -15.944 174 HA LYS 23 HA LYS 23 7.627 11.978 -18.801 175 1HB LYS 23 1HB LYS 23 9.025 13.587 -17.521 176 2HB LYS 23 2HB LYS 23 10.079 12.271 -17.041 177 1HG LYS 23 1HG LYS 23 10.328 11.765 -19.583 178 2HG LYS 23 2HG LYS 23 9.590 13.332 -19.852 179 1HD LYS 23 1HD LYS 23 11.641 14.265 -19.599 180 2HD LYS 23 2HD LYS 23 11.575 13.831 -17.903 181 1HE LYS 23 1HE LYS 23 12.485 11.521 -18.563 182 2HE LYS 23 2HE LYS 23 12.742 12.158 -20.175 183 1HZ LYS 23 2HZ LYS 23 14.002 13.987 -18.972 184 2HZ LYS 23 3HZ LYS 23 14.029 12.981 -17.686 185 3HZ LYS 23 1HZ LYS 23 14.721 12.526 -19.093 186 H SER 24 H SER 24 8.003 9.554 -16.438 187 HA SER 24 HA SER 24 8.621 7.682 -18.498 188 1HB SER 24 1HB SER 24 10.641 8.500 -16.478 189 2HB SER 24 2HB SER 24 10.411 6.766 -16.595 190 HG SER 24 HG SER 24 10.883 6.859 -18.850 191 H THR 25 H THR 25 6.266 8.159 -17.009 192 HA THR 25 HA THR 25 6.190 6.455 -14.709 193 HB THR 25 HB THR 25 3.569 6.982 -15.608 194 HG1 THR 25 HG1 THR 25 3.855 8.727 -16.937 195 1HG2 THR 25 3HG2 THR 25 5.285 7.801 -13.467 196 2HG2 THR 25 1HG2 THR 25 4.648 9.293 -14.200 197 3HG2 THR 25 2HG2 THR 25 3.527 8.052 -13.589 198 H TRP 26 H TRP 26 6.191 4.304 -14.702 199 HA TRP 26 HA TRP 26 5.098 2.984 -17.092 200 1HB TRP 26 1HB TRP 26 7.238 2.049 -15.171 201 2HB TRP 26 2HB TRP 26 6.555 1.082 -16.462 202 HD1 TRP 26 HD1 TRP 26 7.298 4.768 -17.222 203 HE1 TRP 26 HE1 TRP 26 9.303 5.022 -18.918 204 HE3 TRP 26 HE3 TRP 26 8.665 -0.130 -17.154 205 HZ2 TRP 26 HZ2 TRP 26 11.192 3.189 -20.018 206 HZ3 TRP 26 HZ3 TRP 26 10.600 -0.814 -18.567 207 HH2 TRP 26 HH2 TRP 26 11.850 0.754 -19.965 208 H LEU 27 H LEU 27 3.627 1.233 -16.746 209 HA LEU 27 HA LEU 27 2.950 0.562 -14.019 210 1HB LEU 27 1HB LEU 27 0.852 1.418 -13.920 211 2HB LEU 27 2HB LEU 27 1.672 2.687 -14.808 212 HG LEU 27 HG LEU 27 -0.315 2.458 -15.966 213 1HD1 LEU 27 2HD1 LEU 27 1.922 1.976 -17.320 214 2HD1 LEU 27 3HD1 LEU 27 1.098 0.428 -17.632 215 3HD1 LEU 27 1HD1 LEU 27 0.319 1.961 -18.095 216 1HD2 LEU 27 3HD2 LEU 27 -0.424 -0.088 -14.777 217 2HD2 LEU 27 1HD2 LEU 27 -1.688 0.734 -15.722 218 3HD2 LEU 27 2HD2 LEU 27 -0.541 -0.359 -16.533 219 H ILE 28 H ILE 28 1.124 -1.186 -14.080 220 HA ILE 28 HA ILE 28 1.715 -2.895 -16.391 221 HB ILE 28 HB ILE 28 0.607 -4.064 -13.913 222 1HG1 ILE 28 1HG1 ILE 28 2.286 -2.292 -13.168 223 2HG1 ILE 28 2HG1 ILE 28 2.539 -3.929 -12.598 224 1HG2 ILE 28 2HG2 ILE 28 2.799 -4.846 -15.852 225 2HG2 ILE 28 3HG2 ILE 28 2.266 -5.821 -14.462 226 3HG2 ILE 28 1HG2 ILE 28 1.137 -5.479 -15.793 227 1HD1 ILE 28 3HD1 ILE 28 3.856 -3.242 -15.198 228 2HD1 ILE 28 1HD1 ILE 28 4.505 -2.444 -13.745 229 3HD1 ILE 28 2HD1 ILE 28 4.461 -4.220 -13.840 230 H LEU 29 H LEU 29 0.056 -3.663 -17.653 231 HA LEU 29 HA LEU 29 -2.660 -3.203 -16.681 232 1HB LEU 29 1HB LEU 29 -1.499 -1.430 -18.375 233 2HB LEU 29 2HB LEU 29 -2.187 -2.560 -19.522 234 HG LEU 29 HG LEU 29 -3.529 -0.664 -17.667 235 1HD1 LEU 29 2HD1 LEU 29 -3.258 -0.465 -20.211 236 2HD1 LEU 29 3HD1 LEU 29 -4.519 -1.716 -20.314 237 3HD1 LEU 29 1HD1 LEU 29 -4.868 -0.162 -19.517 238 1HD2 LEU 29 2HD2 LEU 29 -4.516 -3.457 -18.162 239 2HD2 LEU 29 3HD2 LEU 29 -4.555 -2.478 -16.675 240 3HD2 LEU 29 1HD2 LEU 29 -5.673 -2.113 -18.012 241 H HIS 30 H HIS 30 -3.617 -5.160 -16.662 242 HA HIS 30 HA HIS 30 -4.374 -7.092 -17.404 243 1HB HIS 30 1HB HIS 30 -4.470 -5.945 -19.648 244 2HB HIS 30 2HB HIS 30 -2.895 -6.626 -20.005 245 HD1 HIS 30 HD1 HIS 30 -2.772 -9.121 -20.645 246 HD2 HIS 30 HD2 HIS 30 -6.613 -7.854 -19.532 247 HE1 HIS 30 HE1 HIS 30 -4.361 -11.011 -21.286 248 HE2 HIS 30 HE2 HIS 30 -6.698 -10.199 -20.527 249 H TYR 31 H TYR 31 -0.927 -6.345 -18.081 250 HA TYR 31 HA TYR 31 0.197 -8.080 -16.385 251 1HB TYR 31 1HB TYR 31 -0.576 -10.119 -17.258 252 2HB TYR 31 2HB TYR 31 -1.040 -9.379 -18.778 253 HD1 TYR 31 HD1 TYR 31 2.131 -10.203 -16.930 254 HD2 TYR 31 HD2 TYR 31 0.061 -10.126 -20.673 255 HE1 TYR 31 HE1 TYR 31 4.137 -11.272 -18.070 256 HE2 TYR 31 HE2 TYR 31 2.073 -11.195 -21.800 257 HH TYR 31 HH TYR 31 5.096 -11.428 -20.244 258 H LYS 32 H LYS 32 0.151 -6.182 -19.230 259 HA LYS 32 HA LYS 32 3.023 -6.530 -19.647 260 1HB LYS 32 1HB LYS 32 0.927 -5.120 -21.325 261 2HB LYS 32 2HB LYS 32 2.630 -5.234 -21.722 262 1HG LYS 32 1HG LYS 32 2.345 -7.311 -22.588 263 2HG LYS 32 2HG LYS 32 1.658 -7.890 -21.084 264 1HD LYS 32 1HD LYS 32 -0.526 -7.597 -21.797 265 2HD LYS 32 2HD LYS 32 -0.147 -6.169 -22.738 266 1HE LYS 32 1HE LYS 32 1.249 -8.073 -24.155 267 2HE LYS 32 2HE LYS 32 -0.072 -9.048 -23.542 268 1HZ LYS 32 1HZ LYS 32 -1.094 -6.623 -24.445 269 2HZ LYS 32 2HZ LYS 32 -0.139 -7.238 -25.620 270 3HZ LYS 32 3HZ LYS 32 -1.377 -8.122 -25.029 271 H VAL 33 H VAL 33 4.096 -4.259 -20.287 272 HA VAL 33 HA VAL 33 3.299 -2.395 -18.159 273 HB VAL 33 HB VAL 33 6.072 -2.907 -19.248 274 1HG1 VAL 33 1HG1 VAL 33 5.504 -0.624 -18.259 275 2HG1 VAL 33 2HG1 VAL 33 5.300 -1.462 -16.703 276 3HG1 VAL 33 3HG1 VAL 33 6.877 -1.489 -17.529 277 1HG2 VAL 33 3HG2 VAL 33 4.665 -4.011 -16.806 278 2HG2 VAL 33 1HG2 VAL 33 5.492 -4.899 -18.107 279 3HG2 VAL 33 2HG2 VAL 33 6.438 -3.942 -16.943 280 H TYR 34 H TYR 34 2.856 -0.314 -18.759 281 HA TYR 34 HA TYR 34 3.546 0.403 -21.529 282 1HB TYR 34 1HB TYR 34 1.147 1.288 -19.817 283 2HB TYR 34 2HB TYR 34 1.337 1.544 -21.540 284 HD1 TYR 34 HD1 TYR 34 0.177 0.143 -22.980 285 HD2 TYR 34 HD2 TYR 34 1.220 -1.303 -19.091 286 HE1 TYR 34 HE1 TYR 34 -1.090 -2.014 -23.434 287 HE2 TYR 34 HE2 TYR 34 -0.050 -3.455 -19.558 288 HH TYR 34 HH TYR 34 -1.828 -3.875 -22.600 289 H ASP 35 H ASP 35 3.961 2.679 -21.926 290 HA ASP 35 HA ASP 35 5.166 3.879 -19.613 291 1HB ASP 35 1HB ASP 35 5.857 3.761 -22.285 292 2HB ASP 35 2HB ASP 35 5.121 5.350 -22.211 293 H LEU 36 H LEU 36 3.187 4.523 -18.450 294 HA LEU 36 HA LEU 36 1.019 5.801 -19.494 295 1HB LEU 36 1HB LEU 36 2.384 5.988 -16.821 296 2HB LEU 36 2HB LEU 36 0.921 6.887 -17.166 297 HG LEU 36 HG LEU 36 1.311 3.919 -16.917 298 1HD1 LEU 36 3HD1 LEU 36 0.231 5.949 -15.291 299 2HD1 LEU 36 1HD1 LEU 36 -1.150 4.985 -15.866 300 3HD1 LEU 36 2HD1 LEU 36 0.198 4.191 -15.018 301 1HD2 LEU 36 1HD2 LEU 36 -0.714 5.317 -18.630 302 2HD2 LEU 36 2HD2 LEU 36 0.169 3.797 -18.909 303 3HD2 LEU 36 3HD2 LEU 36 -1.176 3.842 -17.745 304 H THR 37 H THR 37 4.307 6.997 -19.084 305 HA THR 37 HA THR 37 3.878 9.720 -18.978 306 HB THR 37 HB THR 37 6.024 7.826 -19.878 307 HG1 THR 37 HG1 THR 37 5.641 10.239 -18.256 308 1HG2 THR 37 2HG2 THR 37 5.698 10.612 -20.949 309 2HG2 THR 37 3HG2 THR 37 7.286 10.226 -20.243 310 3HG2 THR 37 1HG2 THR 37 6.654 9.258 -21.597 311 H LYS 38 H LYS 38 3.477 7.469 -21.696 312 HA LYS 38 HA LYS 38 3.223 9.662 -23.560 313 1HB LYS 38 1HB LYS 38 3.221 6.663 -23.746 314 2HB LYS 38 2HB LYS 38 2.558 7.609 -25.063 315 1HG LYS 38 1HG LYS 38 5.309 8.198 -23.893 316 2HG LYS 38 2HG LYS 38 5.085 7.022 -25.173 317 1HD LYS 38 1HD LYS 38 4.009 8.783 -26.599 318 2HD LYS 38 2HD LYS 38 4.252 9.958 -25.322 319 1HE LYS 38 1HE LYS 38 6.736 9.557 -25.452 320 2HE LYS 38 2HE LYS 38 6.469 8.431 -26.769 321 1HZ LYS 38 1HZ LYS 38 5.392 10.269 -27.966 322 2HZ LYS 38 2HZ LYS 38 5.822 11.295 -26.769 323 3HZ LYS 38 3HZ LYS 38 6.972 10.546 -27.657 324 H PHE 39 H PHE 39 1.216 7.600 -21.505 325 HA PHE 39 HA PHE 39 -1.196 8.146 -22.913 326 1HB PHE 39 1HB PHE 39 -0.505 7.183 -20.073 327 2HB PHE 39 2HB PHE 39 -2.130 7.148 -20.727 328 HD1 PHE 39 HD1 PHE 39 1.283 5.790 -21.223 329 HD2 PHE 39 HD2 PHE 39 -2.855 5.343 -22.050 330 HE1 PHE 39 HE1 PHE 39 1.722 3.515 -22.188 331 HE2 PHE 39 HE2 PHE 39 -2.416 3.068 -23.015 332 HZ PHE 39 HZ PHE 39 -0.133 2.182 -23.074 333 H LEU 40 H LEU 40 0.697 9.715 -20.358 334 HA LEU 40 HA LEU 40 -1.186 11.164 -19.037 335 1HB LEU 40 1HB LEU 40 1.668 11.423 -19.661 336 2HB LEU 40 2HB LEU 40 0.879 12.952 -19.323 337 HG LEU 40 HG LEU 40 0.015 11.931 -17.176 338 1HD1 LEU 40 2HD1 LEU 40 0.477 9.546 -18.079 339 2HD1 LEU 40 3HD1 LEU 40 2.136 9.825 -17.499 340 3HD1 LEU 40 1HD1 LEU 40 0.771 9.896 -16.359 341 1HD2 LEU 40 3HD2 LEU 40 2.164 13.376 -17.573 342 2HD2 LEU 40 1HD2 LEU 40 1.867 12.611 -15.993 343 3HD2 LEU 40 2HD2 LEU 40 3.011 11.872 -17.141 344 H GLU 41 H GLU 41 -0.265 11.358 -22.413 345 HA GLU 41 HA GLU 41 -1.375 13.984 -22.695 346 1HB GLU 41 1HB GLU 41 0.435 12.350 -24.167 347 2HB GLU 41 2HB GLU 41 -0.949 12.593 -25.215 348 1HG GLU 41 1HG GLU 41 -0.565 15.139 -24.133 349 2HG GLU 41 2HG GLU 41 1.077 14.546 -24.292 350 H GLU 42 H GLU 42 -2.241 10.565 -23.365 351 HA GLU 42 HA GLU 42 -4.803 11.506 -24.366 352 1HB GLU 42 1HB GLU 42 -3.078 9.555 -25.342 353 2HB GLU 42 2HB GLU 42 -4.260 8.596 -24.474 354 1HG GLU 42 1HG GLU 42 -5.851 8.966 -26.056 355 2HG GLU 42 2HG GLU 42 -5.597 10.699 -26.003 356 H HIS 43 H HIS 43 -5.944 11.979 -22.457 357 HA HIS 43 HA HIS 43 -7.209 9.896 -21.186 358 1HB HIS 43 1HB HIS 43 -4.697 9.832 -20.265 359 2HB HIS 43 2HB HIS 43 -5.329 11.050 -19.175 360 HD1 HIS 43 HD1 HIS 43 -7.351 10.304 -17.586 361 HD2 HIS 43 HD2 HIS 43 -5.486 7.215 -19.725 362 HE1 HIS 43 HE1 HIS 43 -8.075 8.125 -16.473 363 HE2 HIS 43 HE2 HIS 43 -6.942 6.261 -17.864 364 HA PRO 44 HA PRO 44 -9.437 13.540 -20.355 365 1HB PRO 44 1HB PRO 44 -11.698 12.392 -19.339 366 2HB PRO 44 2HB PRO 44 -11.408 12.579 -21.056 367 1HG PRO 44 1HG PRO 44 -11.243 10.134 -19.407 368 2HG PRO 44 2HG PRO 44 -11.378 10.275 -21.148 369 1HD PRO 44 1HD PRO 44 -9.011 9.649 -19.655 370 2HD PRO 44 2HD PRO 44 -9.121 9.906 -21.385 371 H GLY 45 H GLY 45 -9.448 11.057 -17.848 372 1HA GLY 45 2HA GLY 45 -8.987 11.226 -15.650 373 2HA GLY 45 1HA GLY 45 -10.086 12.591 -15.680 374 H GLY 46 H GLY 46 -6.804 12.123 -17.170 375 1HA GLY 46 2HA GLY 46 -5.749 14.210 -15.392 376 2HA GLY 46 1HA GLY 46 -5.675 14.459 -17.126 377 H GLU 47 H GLU 47 -3.339 14.315 -15.502 378 HA GLU 47 HA GLU 47 -2.083 12.091 -16.805 379 1HB GLU 47 1HB GLU 47 -1.103 14.528 -15.298 380 2HB GLU 47 2HB GLU 47 -0.001 13.206 -15.631 381 1HG GLU 47 1HG GLU 47 0.272 13.942 -17.755 382 2HG GLU 47 2HG GLU 47 -1.440 13.737 -18.064 383 H GLU 48 H GLU 48 -2.638 13.328 -13.451 384 HA GLU 48 HA GLU 48 -1.204 11.495 -12.076 385 1HB GLU 48 1HB GLU 48 -3.060 13.490 -11.472 386 2HB GLU 48 2HB GLU 48 -3.835 12.047 -10.847 387 1HG GLU 48 1HG GLU 48 -2.245 11.732 -9.206 388 2HG GLU 48 2HG GLU 48 -0.923 12.253 -10.232 389 H VAL 49 H VAL 49 -4.580 11.188 -13.341 390 HA VAL 49 HA VAL 49 -5.398 8.884 -12.249 391 HB VAL 49 HB VAL 49 -6.617 10.281 -13.871 392 1HG1 VAL 49 3HG1 VAL 49 -4.477 10.107 -15.493 393 2HG1 VAL 49 1HG1 VAL 49 -5.477 8.814 -16.198 394 3HG1 VAL 49 2HG1 VAL 49 -6.117 10.471 -16.084 395 1HG2 VAL 49 2HG2 VAL 49 -7.068 7.734 -13.302 396 2HG2 VAL 49 3HG2 VAL 49 -8.029 8.591 -14.532 397 3HG2 VAL 49 1HG2 VAL 49 -6.698 7.520 -15.030 398 H LEU 50 H LEU 50 -2.685 9.333 -14.467 399 HA LEU 50 HA LEU 50 -2.391 6.418 -14.615 400 1HB LEU 50 1HB LEU 50 -1.122 8.541 -16.346 401 2HB LEU 50 2HB LEU 50 -0.984 6.805 -16.548 402 HG LEU 50 HG LEU 50 -3.771 7.528 -16.527 403 1HD1 LEU 50 1HD1 LEU 50 -2.062 9.086 -18.483 404 2HD1 LEU 50 2HD1 LEU 50 -3.829 8.900 -18.581 405 3HD1 LEU 50 3HD1 LEU 50 -3.099 9.752 -17.200 406 1HD2 LEU 50 3HD2 LEU 50 -2.560 5.515 -17.530 407 2HD2 LEU 50 1HD2 LEU 50 -3.860 6.254 -18.495 408 3HD2 LEU 50 2HD2 LEU 50 -2.158 6.584 -18.896 409 H ARG 51 H ARG 51 -0.783 9.531 -13.811 410 HA ARG 51 HA ARG 51 1.667 8.396 -13.197 411 1HB ARG 51 1HB ARG 51 0.808 10.936 -13.448 412 2HB ARG 51 2HB ARG 51 0.666 10.831 -11.705 413 1HG ARG 51 1HG ARG 51 3.206 9.677 -12.447 414 2HG ARG 51 2HG ARG 51 3.052 11.208 -13.286 415 1HD ARG 51 1HD ARG 51 2.184 12.028 -10.858 416 2HD ARG 51 2HD ARG 51 3.151 10.668 -10.323 417 HE ARG 51 HE ARG 51 4.846 11.963 -12.081 418 1HH1 ARG 51 2HH1 ARG 51 6.314 13.621 -11.519 419 2HH1 ARG 51 1HH1 ARG 51 6.006 14.622 -10.140 420 1HH2 ARG 51 2HH2 ARG 51 2.984 13.022 -9.289 421 2HH2 ARG 51 1HH2 ARG 51 4.098 14.280 -8.863 422 H GLU 52 H GLU 52 -1.254 9.172 -11.206 423 HA GLU 52 HA GLU 52 -0.138 8.538 -8.760 424 1HB GLU 52 1HB GLU 52 -2.677 9.322 -9.780 425 2HB GLU 52 2HB GLU 52 -2.967 7.858 -8.861 426 1HG GLU 52 1HG GLU 52 -1.275 10.122 -7.728 427 2HG GLU 52 2HG GLU 52 -3.022 10.136 -7.588 428 H GLN 53 H GLN 53 -1.011 6.527 -11.448 429 HA GLN 53 HA GLN 53 -1.187 4.207 -9.711 430 1HB GLN 53 1HB GLN 53 -2.012 3.019 -11.740 431 2HB GLN 53 2HB GLN 53 -2.997 4.415 -11.345 432 1HG GLN 53 1HG GLN 53 -1.936 5.758 -13.083 433 2HG GLN 53 2HG GLN 53 -0.711 4.535 -13.363 434 1HE2 GLN 53 1HE2 GLN 53 -4.001 5.506 -13.849 435 2HE2 GLN 53 2HE2 GLN 53 -4.458 4.305 -15.011 436 H ALA 54 H ALA 54 0.857 5.892 -12.030 437 HA ALA 54 HA ALA 54 2.425 3.821 -12.964 438 1HB ALA 54 3HB ALA 54 2.339 6.372 -13.526 439 2HB ALA 54 2HB ALA 54 3.895 5.517 -13.652 440 3HB ALA 54 1HB ALA 54 3.548 6.531 -12.230 441 H GLY 55 H GLY 55 4.043 2.559 -12.116 442 1HA GLY 55 2HA GLY 55 4.935 3.216 -9.373 443 2HA GLY 55 1HA GLY 55 5.917 2.419 -10.587 444 H GLY 56 H GLY 56 3.271 0.944 -11.471 445 1HA GLY 56 2HA GLY 56 2.624 -0.740 -9.242 446 2HA GLY 56 1HA GLY 56 3.741 -1.505 -10.356 447 H ASP 57 H ASP 57 1.393 -2.785 -10.168 448 HA ASP 57 HA ASP 57 0.391 -2.580 -12.769 449 1HB ASP 57 1HB ASP 57 -0.233 -4.687 -12.228 450 2HB ASP 57 2HB ASP 57 0.257 -4.400 -10.570 451 H ALA 58 H ALA 58 -1.516 -1.544 -13.516 452 HA ALA 58 HA ALA 58 -3.053 -0.107 -11.463 453 1HB ALA 58 3HB ALA 58 -1.583 0.974 -13.496 454 2HB ALA 58 1HB ALA 58 -3.165 0.793 -14.292 455 3HB ALA 58 2HB ALA 58 -3.026 1.743 -12.793 456 H THR 59 H THR 59 -3.029 -2.595 -13.867 457 HA THR 59 HA THR 59 -5.517 -2.516 -14.984 458 HB THR 59 HB THR 59 -3.457 -4.205 -15.115 459 HG1 THR 59 HG1 THR 59 -5.388 -4.235 -16.461 460 1HG2 THR 59 3HG2 THR 59 -5.412 -5.550 -13.177 461 2HG2 THR 59 1HG2 THR 59 -4.168 -6.418 -14.107 462 3HG2 THR 59 2HG2 THR 59 -3.688 -5.226 -12.875 463 H GLU 60 H GLU 60 -4.660 -3.820 -11.719 464 HA GLU 60 HA GLU 60 -7.041 -4.822 -11.020 465 1HB GLU 60 1HB GLU 60 -4.696 -3.774 -9.643 466 2HB GLU 60 2HB GLU 60 -6.140 -3.421 -8.717 467 1HG GLU 60 1HG GLU 60 -6.323 -6.133 -9.741 468 2HG GLU 60 2HG GLU 60 -4.772 -5.930 -8.952 469 H ASN 61 H ASN 61 -6.101 -1.372 -11.210 470 HA ASN 61 HA ASN 61 -8.624 -0.589 -10.084 471 1HB ASN 61 1HB ASN 61 -6.038 0.589 -10.310 472 2HB ASN 61 2HB ASN 61 -7.068 1.570 -11.332 473 1HD2 ASN 61 1HD2 ASN 61 -9.019 2.457 -10.446 474 2HD2 ASN 61 2HD2 ASN 61 -9.130 2.852 -8.764 475 H PHE 62 H PHE 62 -6.708 -0.190 -13.159 476 HA PHE 62 HA PHE 62 -8.546 1.177 -14.643 477 1HB PHE 62 1HB PHE 62 -6.616 0.860 -15.896 478 2HB PHE 62 2HB PHE 62 -6.186 -0.564 -14.972 479 HD1 PHE 62 HD1 PHE 62 -7.412 -2.761 -15.582 480 HD2 PHE 62 HD2 PHE 62 -7.308 0.645 -18.110 481 HE1 PHE 62 HE1 PHE 62 -7.966 -4.209 -17.557 482 HE2 PHE 62 HE2 PHE 62 -7.862 -0.803 -20.085 483 HZ PHE 62 HZ PHE 62 -8.185 -3.213 -19.784 484 H GLU 63 H GLU 63 -8.785 -2.061 -13.401 485 HA GLU 63 HA GLU 63 -10.547 -2.941 -15.469 486 1HB GLU 63 1HB GLU 63 -9.240 -4.112 -13.069 487 2HB GLU 63 2HB GLU 63 -10.828 -4.767 -13.418 488 1HG GLU 63 1HG GLU 63 -9.477 -4.577 -15.932 489 2HG GLU 63 2HG GLU 63 -8.315 -5.246 -14.803 490 H ASP 64 H ASP 64 -10.726 -1.517 -12.207 491 HA ASP 64 HA ASP 64 -13.421 -2.140 -11.793 492 1HB ASP 64 1HB ASP 64 -12.278 -1.567 -9.828 493 2HB ASP 64 2HB ASP 64 -11.395 -0.262 -10.596 494 H VAL 65 H VAL 65 -11.597 0.470 -13.411 495 HA VAL 65 HA VAL 65 -13.900 2.183 -13.642 496 HB VAL 65 HB VAL 65 -12.134 3.547 -13.564 497 1HG1 VAL 65 2HG1 VAL 65 -10.482 1.263 -14.672 498 2HG1 VAL 65 3HG1 VAL 65 -9.816 2.885 -14.369 499 3HG1 VAL 65 1HG1 VAL 65 -10.478 1.929 -13.022 500 1HG2 VAL 65 3HG2 VAL 65 -13.009 3.927 -15.823 501 2HG2 VAL 65 1HG2 VAL 65 -11.255 4.221 -15.760 502 3HG2 VAL 65 2HG2 VAL 65 -11.880 2.715 -16.474 503 H GLY 66 H GLY 66 -13.184 -0.736 -14.970 504 1HA GLY 66 2HA GLY 66 -15.047 -0.929 -16.843 505 2HA GLY 66 1HA GLY 66 -13.487 -1.712 -17.009 506 H HIS 67 H HIS 67 -11.670 -0.369 -18.024 507 HA HIS 67 HA HIS 67 -12.302 1.952 -19.453 508 1HB HIS 67 1HB HIS 67 -10.039 -0.031 -19.507 509 2HB HIS 67 2HB HIS 67 -10.133 1.229 -20.722 510 HD1 HIS 67 HD1 HIS 67 -9.543 0.693 -17.037 511 HD2 HIS 67 HD2 HIS 67 -9.587 3.847 -19.803 512 HE1 HIS 67 HE1 HIS 67 -8.504 2.698 -15.851 513 HE2 HIS 67 HE2 HIS 67 -8.509 4.589 -17.617 514 H SER 68 H SER 68 -11.632 1.806 -22.043 515 HA SER 68 HA SER 68 -13.637 -0.034 -23.069 516 1HB SER 68 1HB SER 68 -14.107 1.519 -24.764 517 2HB SER 68 2HB SER 68 -13.752 2.559 -23.398 518 HG SER 68 HG SER 68 -12.316 3.457 -24.708 519 H THR 69 H THR 69 -13.178 -1.121 -25.175 520 HA THR 69 HA THR 69 -10.700 -2.375 -25.205 521 HB THR 69 HB THR 69 -13.003 -2.044 -27.167 522 HG1 THR 69 HG1 THR 69 -11.700 -4.206 -25.664 523 1HG2 THR 69 1HG2 THR 69 -10.427 -3.664 -27.509 524 2HG2 THR 69 2HG2 THR 69 -11.927 -3.992 -28.411 525 3HG2 THR 69 3HG2 THR 69 -11.074 -2.446 -28.634 526 H ASP 70 H ASP 70 -11.671 0.754 -26.462 527 HA ASP 70 HA ASP 70 -9.628 0.915 -28.377 528 1HB ASP 70 1HB ASP 70 -11.696 2.343 -28.343 529 2HB ASP 70 2HB ASP 70 -11.118 3.128 -26.887 530 H ALA 71 H ALA 71 -10.100 2.106 -24.978 531 HA ALA 71 HA ALA 71 -7.740 3.514 -24.709 532 1HB ALA 71 2HB ALA 71 -8.114 2.710 -22.204 533 2HB ALA 71 3HB ALA 71 -9.252 3.836 -22.983 534 3HB ALA 71 1HB ALA 71 -9.654 2.106 -22.865 535 H ARG 72 H ARG 72 -8.451 0.011 -24.122 536 HA ARG 72 HA ARG 72 -5.939 -0.606 -23.182 537 1HB ARG 72 1HB ARG 72 -7.775 -2.443 -24.797 538 2HB ARG 72 2HB ARG 72 -6.556 -2.948 -23.643 539 1HG ARG 72 1HG ARG 72 -7.811 -1.775 -21.815 540 2HG ARG 72 2HG ARG 72 -9.034 -1.290 -22.972 541 1HD ARG 72 1HD ARG 72 -9.628 -3.636 -23.420 542 2HD ARG 72 2HD ARG 72 -8.297 -4.204 -22.432 543 HE ARG 72 HE ARG 72 -10.052 -2.441 -20.928 544 1HH1 ARG 72 2HH1 ARG 72 -11.376 -3.341 -19.299 545 2HH1 ARG 72 1HH1 ARG 72 -11.667 -5.049 -19.262 546 1HH2 ARG 72 2HH2 ARG 72 -9.705 -5.740 -22.105 547 2HH2 ARG 72 1HH2 ARG 72 -10.710 -6.422 -20.870 548 H GLU 73 H GLU 73 -7.335 -0.598 -26.515 549 HA GLU 73 HA GLU 73 -5.180 -1.775 -27.773 550 1HB GLU 73 1HB GLU 73 -7.547 -0.161 -28.565 551 2HB GLU 73 2HB GLU 73 -6.211 -0.084 -29.697 552 1HG GLU 73 1HG GLU 73 -6.161 -2.516 -29.921 553 2HG GLU 73 2HG GLU 73 -7.308 -2.716 -28.611 554 H LEU 74 H LEU 74 -5.949 1.710 -27.147 555 HA LEU 74 HA LEU 74 -3.807 2.802 -28.501 556 1HB LEU 74 1HB LEU 74 -4.655 4.701 -27.756 557 2HB LEU 74 2HB LEU 74 -5.925 3.721 -27.051 558 HG LEU 74 HG LEU 74 -4.014 3.646 -25.076 559 1HD1 LEU 74 1HD1 LEU 74 -3.912 6.404 -26.328 560 2HD1 LEU 74 2HD1 LEU 74 -3.259 5.965 -24.732 561 3HD1 LEU 74 3HD1 LEU 74 -2.572 5.239 -26.204 562 1HD2 LEU 74 2HD2 LEU 74 -6.597 4.906 -25.546 563 2HD2 LEU 74 3HD2 LEU 74 -5.954 4.111 -24.089 564 3HD2 LEU 74 1HD2 LEU 74 -5.595 5.827 -24.399 565 H SER 75 H SER 75 -4.019 1.312 -25.250 566 HA SER 75 HA SER 75 -1.527 2.184 -24.386 567 1HB SER 75 1HB SER 75 -2.256 -0.443 -23.326 568 2HB SER 75 2HB SER 75 -2.132 1.093 -22.492 569 HG SER 75 HG SER 75 -4.287 1.624 -23.356 570 H LYS 76 H LYS 76 -2.628 -0.604 -26.345 571 HA LYS 76 HA LYS 76 -0.281 -2.106 -26.206 572 1HB LYS 76 1HB LYS 76 -1.434 -3.520 -27.500 573 2HB LYS 76 2HB LYS 76 -2.780 -2.416 -27.299 574 1HG LYS 76 1HG LYS 76 -2.063 -1.181 -29.364 575 2HG LYS 76 2HG LYS 76 -0.734 -2.305 -29.567 576 1HD LYS 76 1HD LYS 76 -2.976 -3.982 -29.270 577 2HD LYS 76 2HD LYS 76 -3.587 -2.646 -30.227 578 1HE LYS 76 1HE LYS 76 -1.353 -2.982 -31.627 579 2HE LYS 76 2HE LYS 76 -1.336 -4.569 -30.883 580 1HZ LYS 76 3HZ LYS 76 -3.700 -3.517 -32.261 581 2HZ LYS 76 1HZ LYS 76 -2.545 -4.375 -33.033 582 3HZ LYS 76 2HZ LYS 76 -3.403 -5.062 -31.826 583 H THR 77 H THR 77 -0.961 0.960 -27.664 584 HA THR 77 HA THR 77 1.206 0.682 -29.594 585 HB THR 77 HB THR 77 0.219 2.555 -30.623 586 HG1 THR 77 HG1 THR 77 -0.433 4.252 -29.299 587 1HG2 THR 77 1HG2 THR 77 -1.596 0.715 -30.167 588 2HG2 THR 77 2HG2 THR 77 -2.174 1.811 -28.889 589 3HG2 THR 77 3HG2 THR 77 -2.166 2.348 -30.586 590 H PHE 78 H PHE 78 0.569 1.888 -26.364 591 HA PHE 78 HA PHE 78 3.079 3.385 -26.451 592 1HB PHE 78 1HB PHE 78 0.610 3.230 -24.645 593 2HB PHE 78 2HB PHE 78 2.072 3.996 -24.056 594 HD1 PHE 78 HD1 PHE 78 0.252 5.881 -23.853 595 HD2 PHE 78 HD2 PHE 78 1.857 4.499 -27.531 596 HE1 PHE 78 HE1 PHE 78 -0.430 8.030 -24.957 597 HE2 PHE 78 HE2 PHE 78 1.176 6.650 -28.635 598 HZ PHE 78 HZ PHE 78 0.041 8.388 -27.334 599 H ILE 79 H ILE 79 2.180 0.264 -25.986 600 HA ILE 79 HA ILE 79 3.150 -0.382 -23.454 601 HB ILE 79 HB ILE 79 2.451 -1.776 -25.950 602 1HG1 ILE 79 1HG1 ILE 79 1.851 -1.996 -23.013 603 2HG1 ILE 79 2HG1 ILE 79 0.756 -1.704 -24.352 604 1HG2 ILE 79 1HG2 ILE 79 4.736 -2.633 -25.581 605 2HG2 ILE 79 2HG2 ILE 79 4.266 -3.132 -23.937 606 3HG2 ILE 79 3HG2 ILE 79 3.489 -3.882 -25.353 607 1HD1 ILE 79 1HD1 ILE 79 1.284 -4.056 -25.192 608 2HD1 ILE 79 2HD1 ILE 79 2.164 -4.319 -23.667 609 3HD1 ILE 79 3HD1 ILE 79 0.415 -3.988 -23.640 610 H ILE 80 H ILE 80 5.176 -0.690 -22.613 611 HA ILE 80 HA ILE 80 7.381 -0.133 -24.464 612 HB ILE 80 HB ILE 80 8.505 0.185 -22.071 613 1HG1 ILE 80 1HG1 ILE 80 5.711 1.168 -21.502 614 2HG1 ILE 80 2HG1 ILE 80 6.222 -0.439 -21.026 615 1HG2 ILE 80 3HG2 ILE 80 6.904 2.120 -23.735 616 2HG2 ILE 80 1HG2 ILE 80 7.797 2.647 -22.287 617 3HG2 ILE 80 2HG2 ILE 80 8.668 1.899 -23.647 618 1HD1 ILE 80 3HD1 ILE 80 8.227 0.640 -19.861 619 2HD1 ILE 80 1HD1 ILE 80 7.459 2.215 -20.177 620 3HD1 ILE 80 2HD1 ILE 80 6.641 1.016 -19.145 621 H GLY 81 H GLY 81 6.034 -2.412 -22.074 622 1HA GLY 81 2HA GLY 81 8.204 -4.047 -21.611 623 2HA GLY 81 1HA GLY 81 7.557 -4.562 -23.156 624 H GLU 82 H GLU 82 7.583 -5.951 -20.480 625 HA GLU 82 HA GLU 82 4.827 -5.907 -19.700 626 1HB GLU 82 1HB GLU 82 5.813 -8.631 -20.489 627 2HB GLU 82 2HB GLU 82 4.176 -8.009 -20.453 628 1HG GLU 82 1HG GLU 82 4.657 -6.602 -22.459 629 2HG GLU 82 2HG GLU 82 6.304 -7.199 -22.491 630 H LEU 83 H LEU 83 4.452 -7.463 -17.802 631 HA LEU 83 HA LEU 83 6.630 -7.175 -16.002 632 1HB LEU 83 1HB LEU 83 4.205 -6.961 -15.448 633 2HB LEU 83 2HB LEU 83 4.043 -8.693 -15.656 634 HG LEU 83 HG LEU 83 4.636 -9.030 -13.549 635 1HD1 LEU 83 2HD1 LEU 83 7.158 -7.516 -14.251 636 2HD1 LEU 83 3HD1 LEU 83 6.892 -8.333 -12.692 637 3HD1 LEU 83 1HD1 LEU 83 6.912 -9.278 -14.201 638 1HD2 LEU 83 3HD2 LEU 83 3.986 -6.310 -13.628 639 2HD2 LEU 83 1HD2 LEU 83 4.025 -7.376 -12.201 640 3HD2 LEU 83 2HD2 LEU 83 5.457 -6.410 -12.634 641 H HIS 84 H HIS 84 8.365 -8.478 -15.830 642 HA HIS 84 HA HIS 84 8.536 -10.856 -17.293 643 1HB HIS 84 1HB HIS 84 10.269 -9.136 -15.902 644 2HB HIS 84 2HB HIS 84 10.442 -10.686 -15.107 645 HD1 HIS 84 HD1 HIS 84 12.941 -10.439 -16.237 646 HD2 HIS 84 HD2 HIS 84 9.737 -11.245 -18.822 647 HE1 HIS 84 HE1 HIS 84 13.970 -11.315 -18.400 648 HE2 HIS 84 HE2 HIS 84 11.951 -11.847 -19.930 649 HA PRO 85 HA PRO 85 7.401 -13.904 -14.404 650 1HB PRO 85 1HB PRO 85 9.509 -15.597 -14.016 651 2HB PRO 85 2HB PRO 85 8.499 -15.638 -15.445 652 1HG PRO 85 1HG PRO 85 11.243 -14.581 -15.147 653 2HG PRO 85 2HG PRO 85 10.389 -15.019 -16.613 654 1HD PRO 85 1HD PRO 85 10.858 -12.366 -15.627 655 2HD PRO 85 2HD PRO 85 9.906 -12.809 -17.028 656 H ASP 86 H ASP 86 8.925 -11.448 -13.340 657 HA ASP 86 HA ASP 86 9.822 -12.500 -10.845 658 1HB ASP 86 1HB ASP 86 11.086 -10.627 -11.267 659 2HB ASP 86 2HB ASP 86 9.856 -9.907 -12.286 660 H ASP 87 H ASP 87 6.930 -11.077 -12.310 661 HA ASP 87 HA ASP 87 5.482 -11.581 -9.911 662 1HB ASP 87 1HB ASP 87 6.085 -8.796 -10.881 663 2HB ASP 87 2HB ASP 87 4.453 -9.101 -10.317 664 H ARG 88 H ARG 88 5.091 -13.020 -12.103 665 HA ARG 88 HA ARG 88 3.468 -11.724 -14.025 666 1HB ARG 88 1HB ARG 88 4.170 -14.653 -13.508 667 2HB ARG 88 2HB ARG 88 3.128 -14.161 -14.830 668 1HG ARG 88 1HG ARG 88 5.895 -12.943 -14.448 669 2HG ARG 88 2HG ARG 88 5.667 -14.439 -15.333 670 1HD ARG 88 1HD ARG 88 4.252 -11.812 -15.997 671 2HD ARG 88 2HD ARG 88 5.685 -12.399 -16.818 672 HE ARG 88 HE ARG 88 4.396 -14.127 -17.844 673 1HH1 ARG 88 2HH1 ARG 88 2.402 -14.916 -18.635 674 2HH1 ARG 88 1HH1 ARG 88 0.916 -14.357 -17.943 675 1HH2 ARG 88 2HH2 ARG 88 2.461 -12.211 -15.616 676 2HH2 ARG 88 1HH2 ARG 88 0.949 -12.808 -16.215 677 H SER 89 H SER 89 2.491 -14.909 -12.763 678 HA SER 89 HA SER 89 -0.159 -14.304 -12.682 679 1HB SER 89 1HB SER 89 1.140 -16.584 -12.494 680 2HB SER 89 2HB SER 89 1.062 -16.311 -10.765 681 HG SER 89 HG SER 89 -1.328 -16.039 -11.082 682 H LYS 90 H LYS 90 2.302 -13.108 -10.653 683 HA LYS 90 HA LYS 90 0.940 -13.048 -8.185 684 1HB LYS 90 1HB LYS 90 3.486 -12.345 -9.191 685 2HB LYS 90 2HB LYS 90 2.819 -10.876 -8.509 686 1HG LYS 90 1HG LYS 90 2.608 -11.806 -6.347 687 2HG LYS 90 2HG LYS 90 2.561 -13.453 -6.944 688 1HD LYS 90 1HD LYS 90 5.067 -12.580 -7.812 689 2HD LYS 90 2HD LYS 90 4.900 -11.760 -6.273 690 1HE LYS 90 1HE LYS 90 3.991 -14.293 -5.622 691 2HE LYS 90 2HE LYS 90 5.189 -14.670 -6.845 692 1HZ LYS 90 1HZ LYS 90 5.967 -12.727 -4.865 693 2HZ LYS 90 2HZ LYS 90 5.797 -14.261 -4.333 694 3HZ LYS 90 3HZ LYS 90 6.838 -13.928 -5.545 695 H ILE 91 H ILE 91 1.001 -10.944 -11.077 696 HA ILE 91 HA ILE 91 -1.130 -9.375 -9.801 697 HB ILE 91 HB ILE 91 -0.202 -7.419 -10.368 698 1HG1 ILE 91 1HG1 ILE 91 1.213 -8.665 -12.742 699 2HG1 ILE 91 2HG1 ILE 91 -0.377 -7.930 -12.809 700 1HG2 ILE 91 1HG2 ILE 91 1.484 -8.636 -9.010 701 2HG2 ILE 91 2HG2 ILE 91 2.321 -9.088 -10.515 702 3HG2 ILE 91 3HG2 ILE 91 2.183 -7.374 -10.053 703 1HD1 ILE 91 1HD1 ILE 91 1.101 -5.961 -11.520 704 2HD1 ILE 91 2HD1 ILE 91 2.284 -6.646 -12.662 705 3HD1 ILE 91 3HD1 ILE 91 0.738 -5.995 -13.263 706 H THR 92 H THR 92 0.147 -11.147 -12.576 707 HA THR 92 HA THR 92 -1.175 -10.461 -14.725 708 HB THR 92 HB THR 92 0.021 -12.753 -13.853 709 HG1 THR 92 HG1 THR 92 -1.937 -12.477 -16.025 710 1HG2 THR 92 3HG2 THR 92 -2.933 -13.432 -14.311 711 2HG2 THR 92 1HG2 THR 92 -1.606 -14.614 -14.195 712 3HG2 THR 92 2HG2 THR 92 -2.060 -13.642 -12.774 713 H LYS 93 H LYS 93 -2.832 -11.962 -11.893 714 HA LYS 93 HA LYS 93 -5.149 -10.482 -12.285 715 1HB LYS 93 1HB LYS 93 -5.141 -12.124 -14.329 716 2HB LYS 93 2HB LYS 93 -5.653 -13.319 -13.152 717 1HG LYS 93 1HG LYS 93 -7.543 -11.807 -12.466 718 2HG LYS 93 2HG LYS 93 -7.043 -10.648 -13.681 719 1HD LYS 93 1HD LYS 93 -8.495 -11.761 -15.051 720 2HD LYS 93 2HD LYS 93 -7.205 -12.934 -15.211 721 1HE LYS 93 1HE LYS 93 -8.398 -13.752 -12.841 722 2HE LYS 93 2HE LYS 93 -9.779 -13.148 -13.736 723 1HZ LYS 93 1HZ LYS 93 -8.025 -14.732 -15.323 724 2HZ LYS 93 2HZ LYS 93 -8.661 -15.558 -14.065 725 3HZ LYS 93 3HZ LYS 93 -9.646 -14.831 -15.147 726 HA PRO 94 HA PRO 94 -4.749 -12.368 -8.286 727 1HB PRO 94 1HB PRO 94 -5.521 -10.180 -6.840 728 2HB PRO 94 2HB PRO 94 -3.852 -10.512 -7.261 729 1HG PRO 94 1HG PRO 94 -5.696 -8.514 -8.422 730 2HG PRO 94 2HG PRO 94 -3.948 -8.579 -8.517 731 1HD PRO 94 1HD PRO 94 -5.807 -9.297 -10.580 732 2HD PRO 94 2HD PRO 94 -4.065 -9.471 -10.632 733 H SER 95 H SER 95 -6.414 -12.048 -6.214 734 HA SER 95 HA SER 95 -8.813 -13.069 -7.431 735 1HB SER 95 1HB SER 95 -9.418 -13.696 -5.087 736 2HB SER 95 2HB SER 95 -7.868 -14.346 -5.582 737 HG SER 95 HG SER 95 -7.019 -13.353 -3.897 738 H GLU 96 H GLU 96 -10.988 -12.358 -6.374 739 HA GLU 96 HA GLU 96 -10.835 -9.506 -5.779 740 1HB GLU 96 1HB GLU 96 -11.707 -10.203 -8.141 741 2HB GLU 96 2HB GLU 96 -13.144 -10.754 -7.306 742 1HG GLU 96 1HG GLU 96 -13.909 -8.619 -7.408 743 2HG GLU 96 2HG GLU 96 -12.700 -8.206 -6.208 744 H SER 97 H SER 97 -13.208 -12.274 -5.790 745 HA SER 97 HA SER 97 -14.825 -11.349 -3.840 746 1HB SER 97 1HB SER 97 -14.072 -14.067 -4.849 747 2HB SER 97 2HB SER 97 -14.933 -14.022 -3.322 748 HG SER 97 HG SER 97 -16.005 -13.870 -5.742 749 H ILE 98 H ILE 98 -14.783 -11.208 -1.586 750 HA ILE 98 HA ILE 98 -13.179 -12.758 0.063 751 HB ILE 98 HB ILE 98 -11.255 -11.744 -0.863 752 1HG1 ILE 98 1HG1 ILE 98 -11.495 -10.066 1.590 753 2HG1 ILE 98 2HG1 ILE 98 -11.740 -11.792 1.776 754 1HG2 ILE 98 1HG2 ILE 98 -12.736 -9.690 -1.657 755 2HG2 ILE 98 2HG2 ILE 98 -12.060 -8.951 -0.186 756 3HG2 ILE 98 3HG2 ILE 98 -10.972 -9.561 -1.455 757 1HD1 ILE 98 1HD1 ILE 98 -9.499 -11.697 0.128 758 2HD1 ILE 98 2HD1 ILE 98 -9.258 -10.297 1.200 759 3HD1 ILE 98 3HD1 ILE 98 -9.469 -11.923 1.894 760 H ILE 99 H ILE 99 -14.504 -9.434 -0.472 761 HA ILE 99 HA ILE 99 -15.660 -8.096 0.875 762 HB ILE 99 HB ILE 99 -17.715 -8.997 1.678 763 1HG1 ILE 99 1HG1 ILE 99 -16.674 -11.808 1.289 764 2HG1 ILE 99 2HG1 ILE 99 -16.576 -10.982 2.832 765 1HG2 ILE 99 1HG2 ILE 99 -16.804 -9.246 -0.925 766 2HG2 ILE 99 2HG2 ILE 99 -17.535 -10.832 -0.583 767 3HG2 ILE 99 3HG2 ILE 99 -18.495 -9.348 -0.379 768 1HD1 ILE 99 2HD1 ILE 99 -19.219 -10.512 2.051 769 2HD1 ILE 99 3HD1 ILE 99 -18.913 -12.176 1.498 770 3HD1 ILE 99 1HD1 ILE 99 -18.681 -11.752 3.210 771 H THR 100 H THR 100 -16.889 -8.524 3.438 772 HA THR 100 HA THR 100 -15.116 -9.631 5.305 773 HB THR 100 HB THR 100 -13.772 -7.617 4.302 774 HG1 THR 100 HG1 THR 100 -13.405 -8.744 6.386 775 1HG2 THR 100 2HG2 THR 100 -15.764 -6.186 6.138 776 2HG2 THR 100 3HG2 THR 100 -14.261 -5.471 5.509 777 3HG2 THR 100 1HG2 THR 100 -15.577 -5.903 4.391 778 H THR 101 H THR 101 -15.848 -9.367 7.489 779 HA THR 101 HA THR 101 -18.156 -7.728 7.970 780 HB THR 101 HB THR 101 -19.191 -9.641 6.761 781 HG1 THR 101 HG1 THR 101 -20.377 -8.817 8.563 782 1HG2 THR 101 2HG2 THR 101 -17.256 -11.184 8.267 783 2HG2 THR 101 3HG2 THR 101 -18.888 -11.675 8.782 784 3HG2 THR 101 1HG2 THR 101 -18.429 -11.772 7.065 785 H ILE 102 H ILE 102 -18.292 -7.160 10.080 786 HA ILE 102 HA ILE 102 -17.052 -8.874 12.052 787 HB ILE 102 HB ILE 102 -15.595 -7.145 12.920 788 1HG1 ILE 102 1HG1 ILE 102 -17.030 -5.246 11.949 789 2HG1 ILE 102 2HG1 ILE 102 -15.293 -5.027 12.003 790 1HG2 ILE 102 2HG2 ILE 102 -15.125 -7.777 9.995 791 2HG2 ILE 102 3HG2 ILE 102 -13.895 -7.164 11.125 792 3HG2 ILE 102 1HG2 ILE 102 -14.638 -8.758 11.396 793 1HD1 ILE 102 3HD1 ILE 102 -15.161 -5.822 9.604 794 2HD1 ILE 102 1HD1 ILE 102 -16.940 -5.867 9.575 795 3HD1 ILE 102 2HD1 ILE 102 -16.093 -4.319 9.811 796 H ASP 103 H ASP 103 -18.755 -5.823 11.184 797 HA ASP 103 HA ASP 103 -19.612 -5.018 13.581 798 1HB ASP 103 1HB ASP 103 -20.590 -4.876 10.811 799 2HB ASP 103 2HB ASP 103 -21.920 -4.838 11.952 800 H SER 104 H SER 104 -21.688 -5.398 14.798 801 HA SER 104 HA SER 104 -22.715 -8.085 14.307 802 1HB SER 104 1HB SER 104 -22.217 -6.679 16.967 803 2HB SER 104 2HB SER 104 -23.105 -8.184 16.818 804 HG SER 104 HG SER 104 -21.026 -8.838 17.233 No H/Q in entry = 804 Start of MODEL 33 1 H ALA 1 H ALA 1 34.854 0.874 -29.815 2 HA ALA 1 HA ALA 1 33.002 -0.624 -29.047 3 1HB ALA 1 2HB ALA 1 34.262 0.666 -26.647 4 2HB ALA 1 3HB ALA 1 34.114 -1.057 -27.068 5 3HB ALA 1 1HB ALA 1 35.332 -0.043 -27.880 6 H GLU 2 H GLU 2 30.860 -0.552 -28.604 7 HA GLU 2 HA GLU 2 29.842 1.089 -26.602 8 1HB GLU 2 1HB GLU 2 30.153 2.477 -29.023 9 2HB GLU 2 2HB GLU 2 28.463 2.017 -29.030 10 1HG GLU 2 1HG GLU 2 28.424 2.897 -26.558 11 2HG GLU 2 2HG GLU 2 29.944 3.672 -26.956 12 H GLU 3 H GLU 3 27.246 1.047 -26.774 13 HA GLU 3 HA GLU 3 26.041 -0.821 -28.387 14 1HB GLU 3 1HB GLU 3 27.610 -2.083 -26.384 15 2HB GLU 3 2HB GLU 3 25.952 -2.226 -25.833 16 1HG GLU 3 1HG GLU 3 25.300 -3.153 -28.075 17 2HG GLU 3 2HG GLU 3 26.967 -3.034 -28.600 18 H SER 4 H SER 4 23.818 -1.589 -27.241 19 HA SER 4 HA SER 4 22.914 -0.134 -25.073 20 1HB SER 4 1HB SER 4 23.006 1.414 -27.482 21 2HB SER 4 2HB SER 4 21.317 1.062 -27.175 22 HG SER 4 HG SER 4 23.095 2.083 -25.134 23 H SER 5 H SER 5 20.319 -0.189 -25.083 24 HA SER 5 HA SER 5 19.368 -2.324 -26.771 25 1HB SER 5 1HB SER 5 20.249 -2.896 -24.181 26 2HB SER 5 2HB SER 5 18.522 -2.699 -23.967 27 HG SER 5 HG SER 5 18.744 -4.162 -26.176 28 H LYS 6 H LYS 6 16.889 -2.584 -26.468 29 HA LYS 6 HA LYS 6 15.535 -0.441 -25.158 30 1HB LYS 6 1HB LYS 6 16.368 -0.059 -27.897 31 2HB LYS 6 2HB LYS 6 14.620 -0.130 -27.818 32 1HG LYS 6 1HG LYS 6 14.700 1.551 -25.909 33 2HG LYS 6 2HG LYS 6 16.429 1.693 -26.163 34 1HD LYS 6 1HD LYS 6 16.014 2.409 -28.531 35 2HD LYS 6 2HD LYS 6 14.288 2.285 -28.261 36 1HE LYS 6 1HE LYS 6 14.279 4.106 -26.699 37 2HE LYS 6 2HE LYS 6 16.015 4.034 -26.470 38 1HZ LYS 6 1HZ LYS 6 15.746 4.444 -29.116 39 2HZ LYS 6 2HZ LYS 6 14.530 5.345 -28.501 40 3HZ LYS 6 3HZ LYS 6 16.066 5.602 -28.010 41 H ALA 7 H ALA 7 13.083 -0.629 -25.643 42 HA ALA 7 HA ALA 7 11.241 -1.854 -25.785 43 1HB ALA 7 2HB ALA 7 12.773 -2.782 -27.900 44 2HB ALA 7 3HB ALA 7 12.377 -4.275 -27.018 45 3HB ALA 7 1HB ALA 7 11.073 -3.208 -27.588 46 H VAL 8 H VAL 8 11.953 -1.816 -23.365 47 HA VAL 8 HA VAL 8 13.191 -3.645 -21.953 48 HB VAL 8 HB VAL 8 12.152 -2.438 -20.425 49 1HG1 VAL 8 1HG1 VAL 8 10.202 -1.863 -22.648 50 2HG1 VAL 8 2HG1 VAL 8 9.882 -1.291 -20.993 51 3HG1 VAL 8 3HG1 VAL 8 11.356 -0.773 -21.846 52 1HG2 VAL 8 3HG2 VAL 8 9.826 -4.268 -21.084 53 2HG2 VAL 8 1HG2 VAL 8 11.038 -4.452 -19.793 54 3HG2 VAL 8 2HG2 VAL 8 9.832 -3.146 -19.702 55 H LYS 9 H LYS 9 9.836 -4.182 -23.247 56 HA LYS 9 HA LYS 9 8.854 -6.046 -23.938 57 1HB LYS 9 1HB LYS 9 11.574 -6.663 -24.308 58 2HB LYS 9 2HB LYS 9 10.901 -8.051 -23.476 59 1HG LYS 9 1HG LYS 9 9.070 -8.195 -25.162 60 2HG LYS 9 2HG LYS 9 9.698 -6.779 -25.982 61 1HD LYS 9 1HD LYS 9 11.966 -8.254 -25.987 62 2HD LYS 9 2HD LYS 9 10.817 -9.574 -25.884 63 1HE LYS 9 1HE LYS 9 9.815 -7.739 -27.860 64 2HE LYS 9 2HE LYS 9 11.520 -7.969 -28.193 65 1HZ LYS 9 3HZ LYS 9 10.785 -10.450 -27.716 66 2HZ LYS 9 1HZ LYS 9 9.376 -9.879 -28.309 67 3HZ LYS 9 2HZ LYS 9 10.737 -9.783 -29.207 68 H TYR 10 H TYR 10 11.104 -6.894 -21.206 69 HA TYR 10 HA TYR 10 8.720 -7.542 -19.633 70 1HB TYR 10 1HB TYR 10 10.900 -9.343 -19.016 71 2HB TYR 10 2HB TYR 10 9.356 -9.775 -19.723 72 HD1 TYR 10 HD1 TYR 10 9.214 -10.509 -21.966 73 HD2 TYR 10 HD2 TYR 10 12.791 -8.606 -20.591 74 HE1 TYR 10 HE1 TYR 10 10.391 -11.140 -24.129 75 HE2 TYR 10 HE2 TYR 10 13.955 -9.243 -22.759 76 HH TYR 10 HH TYR 10 13.503 -9.848 -24.931 77 H TYR 11 H TYR 11 8.802 -6.670 -17.613 78 HA TYR 11 HA TYR 11 11.456 -6.047 -16.531 79 1HB TYR 11 1HB TYR 11 9.165 -4.318 -17.359 80 2HB TYR 11 2HB TYR 11 9.627 -4.035 -15.693 81 HD1 TYR 11 HD1 TYR 11 12.662 -4.752 -16.294 82 HD2 TYR 11 HD2 TYR 11 9.824 -2.070 -18.045 83 HE1 TYR 11 HE1 TYR 11 14.555 -3.249 -17.078 84 HE2 TYR 11 HE2 TYR 11 11.727 -0.577 -18.824 85 HH TYR 11 HH TYR 11 13.895 -0.422 -19.097 86 H THR 12 H THR 12 11.092 -5.235 -14.103 87 HA THR 12 HA THR 12 9.279 -7.214 -12.901 88 HB THR 12 HB THR 12 10.874 -7.246 -11.059 89 HG1 THR 12 HG1 THR 12 12.608 -5.601 -11.154 90 1HG2 THR 12 1HG2 THR 12 11.655 -8.241 -13.397 91 2HG2 THR 12 2HG2 THR 12 12.739 -6.830 -13.420 92 3HG2 THR 12 3HG2 THR 12 12.857 -8.021 -12.102 93 H LEU 13 H LEU 13 8.114 -6.634 -10.946 94 HA LEU 13 HA LEU 13 6.606 -4.383 -11.232 95 1HB LEU 13 1HB LEU 13 7.171 -6.308 -9.054 96 2HB LEU 13 2HB LEU 13 6.439 -4.792 -8.570 97 HG LEU 13 HG LEU 13 5.327 -6.953 -10.340 98 1HD1 LEU 13 3HD1 LEU 13 4.954 -6.187 -7.666 99 2HD1 LEU 13 1HD1 LEU 13 3.487 -5.661 -8.526 100 3HD1 LEU 13 2HD1 LEU 13 4.003 -7.361 -8.606 101 1HD2 LEU 13 3HD2 LEU 13 4.771 -4.029 -10.525 102 2HD2 LEU 13 1HD2 LEU 13 4.735 -5.291 -11.780 103 3HD2 LEU 13 2HD2 LEU 13 3.391 -5.150 -10.621 104 H GLU 14 H GLU 14 9.741 -4.797 -9.544 105 HA GLU 14 HA GLU 14 9.700 -2.335 -8.264 106 1HB GLU 14 1HB GLU 14 11.502 -4.541 -8.582 107 2HB GLU 14 2HB GLU 14 12.402 -3.089 -8.974 108 1HG GLU 14 1HG GLU 14 12.689 -3.099 -6.669 109 2HG GLU 14 2HG GLU 14 11.226 -2.138 -6.768 110 H GLU 15 H GLU 15 11.241 -3.372 -11.389 111 HA GLU 15 HA GLU 15 12.348 -0.995 -12.065 112 1HB GLU 15 1HB GLU 15 12.519 -3.247 -13.260 113 2HB GLU 15 2HB GLU 15 10.991 -2.879 -14.036 114 1HG GLU 15 1HG GLU 15 12.270 -1.882 -15.644 115 2HG GLU 15 2HG GLU 15 12.379 -0.545 -14.518 116 H ILE 16 H ILE 16 8.942 -2.078 -12.414 117 HA ILE 16 HA ILE 16 8.191 0.258 -13.885 118 HB ILE 16 HB ILE 16 6.380 -1.699 -12.480 119 1HG1 ILE 16 1HG1 ILE 16 6.980 -2.208 -15.318 120 2HG1 ILE 16 2HG1 ILE 16 8.342 -2.478 -14.248 121 1HG2 ILE 16 3HG2 ILE 16 5.998 0.558 -14.248 122 2HG2 ILE 16 1HG2 ILE 16 5.358 -0.935 -14.976 123 3HG2 ILE 16 2HG2 ILE 16 4.798 -0.418 -13.366 124 1HD1 ILE 16 2HD1 ILE 16 6.041 -3.574 -12.936 125 2HD1 ILE 16 3HD1 ILE 16 6.004 -4.128 -14.627 126 3HD1 ILE 16 1HD1 ILE 16 7.433 -4.450 -13.616 127 H GLN 17 H GLN 17 8.329 -0.789 -10.484 128 HA GLN 17 HA GLN 17 6.649 1.209 -9.506 129 1HB GLN 17 1HB GLN 17 7.774 -1.002 -8.431 130 2HB GLN 17 2HB GLN 17 8.907 0.182 -7.814 131 1HG GLN 17 1HG GLN 17 6.365 1.353 -7.391 132 2HG GLN 17 2HG GLN 17 6.139 -0.338 -6.991 133 1HE2 GLN 17 1HE2 GLN 17 5.800 1.134 -4.944 134 2HE2 GLN 17 2HE2 GLN 17 7.146 1.199 -3.856 135 H LYS 18 H LYS 18 10.178 1.040 -10.166 136 HA LYS 18 HA LYS 18 10.802 3.482 -8.907 137 1HB LYS 18 1HB LYS 18 12.293 2.051 -11.125 138 2HB LYS 18 2HB LYS 18 12.943 3.261 -10.036 139 1HG LYS 18 1HG LYS 18 11.645 0.796 -8.859 140 2HG LYS 18 2HG LYS 18 13.257 0.656 -9.534 141 1HD LYS 18 1HD LYS 18 12.385 2.579 -7.326 142 2HD LYS 18 2HD LYS 18 13.394 1.161 -7.124 143 1HE LYS 18 1HE LYS 18 14.933 2.348 -8.948 144 2HE LYS 18 2HE LYS 18 14.076 3.795 -8.454 145 1HZ LYS 18 2HZ LYS 18 15.123 2.087 -6.363 146 2HZ LYS 18 3HZ LYS 18 16.196 2.975 -7.216 147 3HZ LYS 18 1HZ LYS 18 14.988 3.714 -6.406 148 H HIS 19 H HIS 19 9.491 2.576 -12.079 149 HA HIS 19 HA HIS 19 9.946 5.234 -13.103 150 1HB HIS 19 1HB HIS 19 8.939 2.638 -14.207 151 2HB HIS 19 2HB HIS 19 8.496 4.122 -15.026 152 HD1 HIS 19 HD1 HIS 19 10.044 4.627 -16.906 153 HD2 HIS 19 HD2 HIS 19 12.020 2.750 -13.717 154 HE1 HIS 19 HE1 HIS 19 12.484 4.392 -17.615 155 HE2 HIS 19 HE2 HIS 19 13.658 3.283 -15.593 156 H ASN 20 H ASN 20 8.713 6.483 -11.568 157 HA ASN 20 HA ASN 20 5.858 6.213 -12.068 158 1HB ASN 20 1HB ASN 20 6.069 5.444 -9.807 159 2HB ASN 20 2HB ASN 20 7.327 6.606 -9.432 160 1HD2 ASN 20 1HD2 ASN 20 4.087 6.797 -10.909 161 2HD2 ASN 20 2HD2 ASN 20 3.442 8.019 -9.863 162 H ASN 21 H ASN 21 8.198 7.906 -13.151 163 HA ASN 21 HA ASN 21 7.440 10.509 -12.134 164 1HB ASN 21 1HB ASN 21 9.692 9.623 -14.014 165 2HB ASN 21 2HB ASN 21 9.422 11.289 -13.538 166 1HD2 ASN 21 1HD2 ASN 21 9.093 11.541 -11.070 167 2HD2 ASN 21 2HD2 ASN 21 10.277 10.774 -10.063 168 H SER 22 H SER 22 7.087 12.277 -13.852 169 HA SER 22 HA SER 22 5.289 11.292 -15.799 170 1HB SER 22 1HB SER 22 5.010 13.704 -16.379 171 2HB SER 22 2HB SER 22 4.835 13.405 -14.661 172 HG SER 22 HG SER 22 6.370 15.224 -15.663 173 H LYS 23 H LYS 23 8.486 10.963 -15.795 174 HA LYS 23 HA LYS 23 8.768 11.697 -18.626 175 1HB LYS 23 1HB LYS 23 10.563 12.109 -16.299 176 2HB LYS 23 2HB LYS 23 11.336 11.532 -17.761 177 1HG LYS 23 1HG LYS 23 9.465 13.575 -18.541 178 2HG LYS 23 2HG LYS 23 10.362 14.193 -17.168 179 1HD LYS 23 1HD LYS 23 12.034 14.691 -18.625 180 2HD LYS 23 2HD LYS 23 12.355 12.971 -18.713 181 1HE LYS 23 1HE LYS 23 10.559 12.854 -20.563 182 2HE LYS 23 2HE LYS 23 10.568 14.606 -20.568 183 1HZ LYS 23 1HZ LYS 23 12.971 14.479 -20.978 184 2HZ LYS 23 2HZ LYS 23 12.861 12.855 -21.114 185 3HZ LYS 23 3HZ LYS 23 12.086 13.819 -22.181 186 H SER 24 H SER 24 8.291 9.202 -16.424 187 HA SER 24 HA SER 24 9.115 7.314 -18.407 188 1HB SER 24 1HB SER 24 10.856 7.867 -16.228 189 2HB SER 24 2HB SER 24 10.085 6.344 -15.831 190 HG SER 24 HG SER 24 10.720 6.169 -18.431 191 H THR 25 H THR 25 6.666 8.436 -16.941 192 HA THR 25 HA THR 25 5.616 6.821 -15.037 193 HB THR 25 HB THR 25 3.794 7.536 -17.300 194 HG1 THR 25 HG1 THR 25 4.326 9.857 -16.726 195 1HG2 THR 25 2HG2 THR 25 4.026 8.054 -14.315 196 2HG2 THR 25 3HG2 THR 25 2.983 9.095 -15.314 197 3HG2 THR 25 1HG2 THR 25 2.665 7.345 -15.218 198 H TRP 26 H TRP 26 5.962 4.662 -14.917 199 HA TRP 26 HA TRP 26 5.101 3.112 -17.264 200 1HB TRP 26 1HB TRP 26 7.236 2.536 -15.209 201 2HB TRP 26 2HB TRP 26 6.600 1.324 -16.303 202 HD1 TRP 26 HD1 TRP 26 6.695 4.379 -18.315 203 HE1 TRP 26 HE1 TRP 26 8.845 4.611 -19.829 204 HE3 TRP 26 HE3 TRP 26 9.392 0.778 -15.949 205 HZ2 TRP 26 HZ2 TRP 26 11.374 3.291 -19.868 206 HZ3 TRP 26 HZ3 TRP 26 11.692 0.310 -16.787 207 HH2 TRP 26 HH2 TRP 26 12.689 1.499 -18.675 208 H LEU 27 H LEU 27 3.655 1.367 -16.872 209 HA LEU 27 HA LEU 27 2.912 0.787 -14.149 210 1HB LEU 27 1HB LEU 27 0.809 1.626 -14.109 211 2HB LEU 27 2HB LEU 27 1.624 2.874 -15.031 212 HG LEU 27 HG LEU 27 -0.329 2.587 -16.221 213 1HD1 LEU 27 2HD1 LEU 27 1.913 2.049 -17.523 214 2HD1 LEU 27 3HD1 LEU 27 1.125 0.470 -17.746 215 3HD1 LEU 27 1HD1 LEU 27 0.323 1.952 -18.315 216 1HD2 LEU 27 3HD2 LEU 27 -0.470 0.110 -14.901 217 2HD2 LEU 27 1HD2 LEU 27 -1.713 0.881 -15.915 218 3HD2 LEU 27 2HD2 LEU 27 -0.555 -0.259 -16.641 219 H ILE 28 H ILE 28 1.072 -0.969 -14.216 220 HA ILE 28 HA ILE 28 1.706 -2.718 -16.489 221 HB ILE 28 HB ILE 28 0.675 -3.916 -14.004 222 1HG1 ILE 28 1HG1 ILE 28 2.366 -1.974 -13.411 223 2HG1 ILE 28 2HG1 ILE 28 2.420 -3.522 -12.590 224 1HG2 ILE 28 2HG2 ILE 28 2.522 -4.565 -16.236 225 2HG2 ILE 28 3HG2 ILE 28 2.878 -5.307 -14.658 226 3HG2 ILE 28 1HG2 ILE 28 1.292 -5.566 -15.423 227 1HD1 ILE 28 3HD1 ILE 28 4.030 -3.171 -15.122 228 2HD1 ILE 28 1HD1 ILE 28 4.636 -2.474 -13.601 229 3HD1 ILE 28 2HD1 ILE 28 4.345 -4.226 -13.723 230 H LEU 29 H LEU 29 0.036 -3.571 -17.690 231 HA LEU 29 HA LEU 29 -2.667 -3.047 -16.690 232 1HB LEU 29 1HB LEU 29 -1.458 -1.574 -18.688 233 2HB LEU 29 2HB LEU 29 -2.367 -2.777 -19.583 234 HG LEU 29 HG LEU 29 -3.341 -0.560 -17.833 235 1HD1 LEU 29 1HD1 LEU 29 -3.257 -0.410 -20.324 236 2HD1 LEU 29 2HD1 LEU 29 -4.458 -1.723 -20.396 237 3HD1 LEU 29 3HD1 LEU 29 -4.879 -0.174 -19.628 238 1HD2 LEU 29 2HD2 LEU 29 -4.577 -3.276 -17.983 239 2HD2 LEU 29 3HD2 LEU 29 -4.519 -2.110 -16.638 240 3HD2 LEU 29 1HD2 LEU 29 -5.641 -1.850 -17.995 241 H HIS 30 H HIS 30 -3.740 -4.933 -16.507 242 HA HIS 30 HA HIS 30 -4.457 -6.965 -16.928 243 1HB HIS 30 1HB HIS 30 -4.638 -6.002 -19.292 244 2HB HIS 30 2HB HIS 30 -3.154 -6.863 -19.654 245 HD1 HIS 30 HD1 HIS 30 -3.648 -8.995 -20.836 246 HD2 HIS 30 HD2 HIS 30 -6.558 -8.101 -17.951 247 HE1 HIS 30 HE1 HIS 30 -5.332 -10.908 -20.904 248 HE2 HIS 30 HE2 HIS 30 -7.067 -10.331 -19.073 249 H TYR 31 H TYR 31 -1.166 -6.629 -18.443 250 HA TYR 31 HA TYR 31 0.118 -8.125 -16.479 251 1HB TYR 31 1HB TYR 31 0.018 -10.316 -17.356 252 2HB TYR 31 2HB TYR 31 -1.516 -9.741 -17.978 253 HD1 TYR 31 HD1 TYR 31 1.961 -10.583 -18.836 254 HD2 TYR 31 HD2 TYR 31 -1.807 -9.240 -20.352 255 HE1 TYR 31 HE1 TYR 31 2.737 -11.066 -21.209 256 HE2 TYR 31 HE2 TYR 31 -1.020 -9.726 -22.719 257 HH TYR 31 HH TYR 31 0.855 -10.052 -23.960 258 H LYS 32 H LYS 32 0.025 -5.986 -18.917 259 HA LYS 32 HA LYS 32 2.808 -6.522 -19.694 260 1HB LYS 32 1HB LYS 32 0.754 -4.999 -21.319 261 2HB LYS 32 2HB LYS 32 2.370 -5.464 -21.811 262 1HG LYS 32 1HG LYS 32 1.795 -7.701 -22.126 263 2HG LYS 32 2HG LYS 32 0.561 -7.676 -20.880 264 1HD LYS 32 1HD LYS 32 -0.889 -7.636 -22.657 265 2HD LYS 32 2HD LYS 32 -0.553 -5.916 -22.654 266 1HE LYS 32 1HE LYS 32 1.467 -6.509 -24.221 267 2HE LYS 32 2HE LYS 32 0.673 -8.057 -24.432 268 1HZ LYS 32 3HZ LYS 32 -0.903 -5.639 -24.770 269 2HZ LYS 32 1HZ LYS 32 0.118 -6.079 -25.966 270 3HZ LYS 32 2HZ LYS 32 -1.070 -7.094 -25.494 271 H VAL 33 H VAL 33 3.924 -4.331 -20.370 272 HA VAL 33 HA VAL 33 3.203 -2.374 -18.298 273 HB VAL 33 HB VAL 33 5.931 -2.993 -19.449 274 1HG1 VAL 33 3HG1 VAL 33 4.895 -1.005 -17.461 275 2HG1 VAL 33 1HG1 VAL 33 6.507 -1.713 -17.201 276 3HG1 VAL 33 2HG1 VAL 33 6.157 -0.829 -18.705 277 1HG2 VAL 33 1HG2 VAL 33 4.622 -4.705 -17.856 278 2HG2 VAL 33 2HG2 VAL 33 6.376 -4.428 -17.733 279 3HG2 VAL 33 3HG2 VAL 33 5.265 -3.611 -16.609 280 H TYR 34 H TYR 34 2.965 -0.233 -18.901 281 HA TYR 34 HA TYR 34 3.561 0.383 -21.711 282 1HB TYR 34 1HB TYR 34 1.146 1.317 -20.052 283 2HB TYR 34 2HB TYR 34 1.347 1.494 -21.783 284 HD1 TYR 34 HD1 TYR 34 0.441 -0.103 -23.246 285 HD2 TYR 34 HD2 TYR 34 0.974 -1.109 -19.122 286 HE1 TYR 34 HE1 TYR 34 -0.820 -2.281 -23.607 287 HE2 TYR 34 HE2 TYR 34 -0.289 -3.283 -19.497 288 HH TYR 34 HH TYR 34 -2.261 -3.852 -21.764 289 H ASP 35 H ASP 35 3.916 2.677 -22.150 290 HA ASP 35 HA ASP 35 5.079 3.931 -19.832 291 1HB ASP 35 1HB ASP 35 5.652 3.833 -22.642 292 2HB ASP 35 2HB ASP 35 5.280 5.504 -22.269 293 H LEU 36 H LEU 36 3.206 4.778 -18.716 294 HA LEU 36 HA LEU 36 1.048 5.999 -19.948 295 1HB LEU 36 1HB LEU 36 2.230 6.331 -17.192 296 2HB LEU 36 2HB LEU 36 0.703 7.036 -17.685 297 HG LEU 36 HG LEU 36 1.401 4.121 -17.346 298 1HD1 LEU 36 3HD1 LEU 36 0.176 6.042 -15.699 299 2HD1 LEU 36 1HD1 LEU 36 -1.135 4.982 -16.271 300 3HD1 LEU 36 2HD1 LEU 36 0.276 4.283 -15.441 301 1HD2 LEU 36 1HD2 LEU 36 -0.614 5.323 -19.159 302 2HD2 LEU 36 2HD2 LEU 36 0.207 3.745 -19.225 303 3HD2 LEU 36 3HD2 LEU 36 -1.175 3.982 -18.128 304 H THR 37 H THR 37 4.324 7.135 -19.333 305 HA THR 37 HA THR 37 4.131 9.811 -19.167 306 HB THR 37 HB THR 37 5.975 7.961 -20.733 307 HG1 THR 37 HG1 THR 37 6.193 9.774 -18.435 308 1HG2 THR 37 2HG2 THR 37 5.796 10.548 -21.544 309 2HG2 THR 37 3HG2 THR 37 6.788 10.789 -20.086 310 3HG2 THR 37 1HG2 THR 37 7.363 9.722 -21.389 311 H LYS 38 H LYS 38 3.096 7.826 -21.895 312 HA LYS 38 HA LYS 38 2.894 10.122 -23.629 313 1HB LYS 38 1HB LYS 38 3.531 8.089 -24.679 314 2HB LYS 38 2HB LYS 38 2.239 7.185 -23.916 315 1HG LYS 38 1HG LYS 38 0.923 9.300 -25.266 316 2HG LYS 38 2HG LYS 38 2.180 8.786 -26.375 317 1HD LYS 38 1HD LYS 38 0.725 7.140 -26.988 318 2HD LYS 38 2HD LYS 38 1.209 6.344 -25.504 319 1HE LYS 38 1HE LYS 38 -0.806 8.326 -24.859 320 2HE LYS 38 2HE LYS 38 -1.390 7.362 -26.201 321 1HZ LYS 38 2HZ LYS 38 -0.258 6.184 -23.762 322 2HZ LYS 38 3HZ LYS 38 -1.856 6.444 -23.977 323 3HZ LYS 38 1HZ LYS 38 -1.059 5.406 -24.954 324 H PHE 39 H PHE 39 0.667 7.843 -21.900 325 HA PHE 39 HA PHE 39 -1.649 9.242 -22.704 326 1HB PHE 39 1HB PHE 39 -0.925 6.826 -21.465 327 2HB PHE 39 2HB PHE 39 -1.606 7.717 -20.118 328 HD1 PHE 39 HD1 PHE 39 -2.431 5.300 -22.290 329 HD2 PHE 39 HD2 PHE 39 -3.862 9.117 -21.113 330 HE1 PHE 39 HE1 PHE 39 -4.740 4.664 -23.038 331 HE2 PHE 39 HE2 PHE 39 -6.173 8.481 -21.861 332 HZ PHE 39 HZ PHE 39 -6.584 6.262 -22.815 333 H LEU 40 H LEU 40 0.854 10.139 -20.606 334 HA LEU 40 HA LEU 40 -0.304 11.104 -18.355 335 1HB LEU 40 1HB LEU 40 2.056 11.697 -19.968 336 2HB LEU 40 2HB LEU 40 1.482 13.089 -19.073 337 HG LEU 40 HG LEU 40 3.236 11.354 -18.072 338 1HD1 LEU 40 2HD1 LEU 40 1.595 13.404 -17.063 339 2HD1 LEU 40 3HD1 LEU 40 1.498 12.072 -15.887 340 3HD1 LEU 40 1HD1 LEU 40 3.083 12.738 -16.346 341 1HD2 LEU 40 1HD2 LEU 40 1.068 9.683 -18.265 342 2HD2 LEU 40 2HD2 LEU 40 2.466 9.451 -17.188 343 3HD2 LEU 40 3HD2 LEU 40 0.984 10.219 -16.569 344 H GLU 41 H GLU 41 0.046 12.945 -21.472 345 HA GLU 41 HA GLU 41 -1.560 15.036 -20.553 346 1HB GLU 41 1HB GLU 41 -0.049 14.364 -22.925 347 2HB GLU 41 2HB GLU 41 -1.631 14.928 -23.419 348 1HG GLU 41 1HG GLU 41 -1.191 16.850 -21.627 349 2HG GLU 41 2HG GLU 41 0.489 16.392 -21.830 350 H GLU 42 H GLU 42 -2.203 12.277 -22.828 351 HA GLU 42 HA GLU 42 -4.806 12.907 -23.366 352 1HB GLU 42 1HB GLU 42 -3.018 10.740 -23.849 353 2HB GLU 42 2HB GLU 42 -4.474 10.025 -23.183 354 1HG GLU 42 1HG GLU 42 -4.676 10.180 -25.630 355 2HG GLU 42 2HG GLU 42 -5.856 11.232 -24.874 356 H HIS 43 H HIS 43 -6.422 10.687 -22.647 357 HA HIS 43 HA HIS 43 -7.502 9.701 -20.967 358 1HB HIS 43 1HB HIS 43 -5.101 10.177 -19.713 359 2HB HIS 43 2HB HIS 43 -6.217 11.067 -18.694 360 HD1 HIS 43 HD1 HIS 43 -4.796 7.805 -19.026 361 HD2 HIS 43 HD2 HIS 43 -8.596 9.255 -17.998 362 HE1 HIS 43 HE1 HIS 43 -5.976 5.908 -17.790 363 HE2 HIS 43 HE2 HIS 43 -8.284 6.877 -17.137 364 HA PRO 44 HA PRO 44 -10.270 13.034 -20.557 365 1HB PRO 44 1HB PRO 44 -12.481 11.612 -19.809 366 2HB PRO 44 2HB PRO 44 -11.990 11.812 -21.480 367 1HG PRO 44 1HG PRO 44 -11.734 9.431 -19.745 368 2HG PRO 44 2HG PRO 44 -11.652 9.530 -21.493 369 1HD PRO 44 1HD PRO 44 -9.443 9.244 -19.685 370 2HD PRO 44 2HD PRO 44 -9.355 9.458 -21.422 371 H GLY 45 H GLY 45 -8.738 11.499 -18.190 372 1HA GLY 45 2HA GLY 45 -9.245 11.450 -15.855 373 2HA GLY 45 1HA GLY 45 -10.314 12.821 -16.071 374 H GLY 46 H GLY 46 -6.913 12.134 -17.172 375 1HA GLY 46 2HA GLY 46 -5.907 14.261 -15.456 376 2HA GLY 46 1HA GLY 46 -5.825 14.564 -17.181 377 H GLU 47 H GLU 47 -3.513 14.335 -15.491 378 HA GLU 47 HA GLU 47 -2.233 12.186 -16.895 379 1HB GLU 47 1HB GLU 47 -1.008 14.198 -14.961 380 2HB GLU 47 2HB GLU 47 -0.146 13.195 -16.111 381 1HG GLU 47 1HG GLU 47 -0.448 14.737 -17.743 382 2HG GLU 47 2HG GLU 47 -2.187 14.639 -17.556 383 H GLU 48 H GLU 48 -2.708 13.269 -13.464 384 HA GLU 48 HA GLU 48 -1.360 11.367 -12.165 385 1HB GLU 48 1HB GLU 48 -3.338 13.263 -11.527 386 2HB GLU 48 2HB GLU 48 -4.005 11.752 -10.944 387 1HG GLU 48 1HG GLU 48 -2.380 11.491 -9.323 388 2HG GLU 48 2HG GLU 48 -1.113 12.161 -10.331 389 H VAL 49 H VAL 49 -4.702 11.062 -13.524 390 HA VAL 49 HA VAL 49 -5.498 8.686 -12.599 391 HB VAL 49 HB VAL 49 -6.617 10.213 -14.245 392 1HG1 VAL 49 2HG1 VAL 49 -4.449 9.789 -15.837 393 2HG1 VAL 49 3HG1 VAL 49 -5.610 8.638 -16.540 394 3HG1 VAL 49 1HG1 VAL 49 -6.028 10.363 -16.424 395 1HG2 VAL 49 1HG2 VAL 49 -7.054 7.566 -13.691 396 2HG2 VAL 49 2HG2 VAL 49 -8.145 8.604 -14.639 397 3HG2 VAL 49 3HG2 VAL 49 -6.972 7.553 -15.470 398 H LEU 50 H LEU 50 -2.756 9.302 -14.758 399 HA LEU 50 HA LEU 50 -2.356 6.400 -14.955 400 1HB LEU 50 1HB LEU 50 -1.144 8.546 -16.696 401 2HB LEU 50 2HB LEU 50 -1.066 6.812 -16.929 402 HG LEU 50 HG LEU 50 -3.826 7.726 -16.810 403 1HD1 LEU 50 3HD1 LEU 50 -1.985 9.450 -18.222 404 2HD1 LEU 50 1HD1 LEU 50 -3.133 8.690 -19.351 405 3HD1 LEU 50 2HD1 LEU 50 -3.736 9.622 -17.960 406 1HD2 LEU 50 2HD2 LEU 50 -2.233 5.759 -18.113 407 2HD2 LEU 50 3HD2 LEU 50 -4.006 5.905 -18.059 408 3HD2 LEU 50 1HD2 LEU 50 -3.089 6.693 -19.365 409 H ARG 51 H ARG 51 -0.792 9.586 -14.286 410 HA ARG 51 HA ARG 51 1.683 8.543 -13.678 411 1HB ARG 51 1HB ARG 51 0.687 11.054 -13.909 412 2HB ARG 51 2HB ARG 51 0.671 10.946 -12.160 413 1HG ARG 51 1HG ARG 51 3.194 9.914 -13.244 414 2HG ARG 51 2HG ARG 51 2.897 11.547 -13.806 415 1HD ARG 51 1HD ARG 51 2.188 11.592 -11.057 416 2HD ARG 51 2HD ARG 51 3.648 10.626 -11.126 417 HE ARG 51 HE ARG 51 4.347 12.733 -12.711 418 1HH1 ARG 51 2HH1 ARG 51 5.220 14.735 -12.036 419 2HH1 ARG 51 1HH1 ARG 51 4.860 15.347 -10.457 420 1HH2 ARG 51 2HH2 ARG 51 2.832 12.618 -9.538 421 2HH2 ARG 51 1HH2 ARG 51 3.493 14.134 -9.024 422 H GLU 52 H GLU 52 -1.181 9.313 -11.591 423 HA GLU 52 HA GLU 52 -0.001 8.720 -9.182 424 1HB GLU 52 1HB GLU 52 -2.552 9.464 -10.113 425 2HB GLU 52 2HB GLU 52 -2.829 7.941 -9.291 426 1HG GLU 52 1HG GLU 52 -1.158 10.125 -7.994 427 2HG GLU 52 2HG GLU 52 -2.907 10.152 -7.884 428 H GLN 53 H GLN 53 -1.200 6.622 -11.761 429 HA GLN 53 HA GLN 53 -1.173 4.335 -10.015 430 1HB GLN 53 1HB GLN 53 -1.999 3.101 -11.982 431 2HB GLN 53 2HB GLN 53 -2.956 4.543 -11.714 432 1HG GLN 53 1HG GLN 53 -1.797 5.742 -13.494 433 2HG GLN 53 2HG GLN 53 -0.602 4.469 -13.652 434 1HE2 GLN 53 1HE2 GLN 53 -3.877 5.467 -14.260 435 2HE2 GLN 53 2HE2 GLN 53 -4.322 4.219 -15.377 436 H ALA 54 H ALA 54 0.852 5.999 -12.379 437 HA ALA 54 HA ALA 54 2.473 3.945 -13.239 438 1HB ALA 54 1HB ALA 54 2.410 6.812 -13.264 439 2HB ALA 54 2HB ALA 54 4.048 6.299 -12.791 440 3HB ALA 54 3HB ALA 54 3.339 5.715 -14.315 441 H GLY 55 H GLY 55 3.934 2.621 -12.266 442 1HA GLY 55 2HA GLY 55 4.835 3.388 -9.552 443 2HA GLY 55 1HA GLY 55 5.859 2.597 -10.734 444 H GLY 56 H GLY 56 3.284 1.045 -11.663 445 1HA GLY 56 2HA GLY 56 2.681 -0.642 -9.402 446 2HA GLY 56 1HA GLY 56 3.756 -1.384 -10.570 447 H ASP 57 H ASP 57 1.487 -2.730 -10.368 448 HA ASP 57 HA ASP 57 0.373 -2.506 -12.901 449 1HB ASP 57 1HB ASP 57 0.024 -4.653 -12.201 450 2HB ASP 57 2HB ASP 57 0.081 -4.199 -10.509 451 H ALA 58 H ALA 58 -1.552 -1.470 -13.600 452 HA ALA 58 HA ALA 58 -3.028 -0.016 -11.514 453 1HB ALA 58 3HB ALA 58 -1.602 1.086 -13.534 454 2HB ALA 58 1HB ALA 58 -3.156 0.847 -14.368 455 3HB ALA 58 2HB ALA 58 -3.086 1.820 -12.880 456 H THR 59 H THR 59 -3.075 -2.538 -13.864 457 HA THR 59 HA THR 59 -5.535 -2.492 -14.992 458 HB THR 59 HB THR 59 -3.470 -4.288 -14.751 459 HG1 THR 59 HG1 THR 59 -5.430 -3.931 -16.285 460 1HG2 THR 59 2HG2 THR 59 -5.882 -5.386 -13.215 461 2HG2 THR 59 3HG2 THR 59 -4.636 -6.418 -13.953 462 3HG2 THR 59 1HG2 THR 59 -4.200 -5.298 -12.640 463 H GLU 60 H GLU 60 -4.832 -3.783 -11.675 464 HA GLU 60 HA GLU 60 -7.251 -4.577 -10.959 465 1HB GLU 60 1HB GLU 60 -6.641 -3.613 -8.611 466 2HB GLU 60 2HB GLU 60 -5.568 -4.798 -9.331 467 1HG GLU 60 1HG GLU 60 -3.857 -3.320 -9.222 468 2HG GLU 60 2HG GLU 60 -4.717 -2.242 -10.304 469 H ASN 61 H ASN 61 -6.167 -1.169 -11.266 470 HA ASN 61 HA ASN 61 -8.640 -0.203 -10.226 471 1HB ASN 61 1HB ASN 61 -6.025 0.851 -10.682 472 2HB ASN 61 2HB ASN 61 -7.083 1.774 -11.732 473 1HD2 ASN 61 1HD2 ASN 61 -6.035 1.168 -8.545 474 2HD2 ASN 61 2HD2 ASN 61 -7.056 2.279 -7.694 475 H PHE 62 H PHE 62 -6.833 -0.148 -13.391 476 HA PHE 62 HA PHE 62 -8.660 1.128 -14.944 477 1HB PHE 62 1HB PHE 62 -6.854 0.553 -16.279 478 2HB PHE 62 2HB PHE 62 -6.392 -0.721 -15.166 479 HD1 PHE 62 HD1 PHE 62 -7.349 -3.006 -15.444 480 HD2 PHE 62 HD2 PHE 62 -8.006 0.060 -18.305 481 HE1 PHE 62 HE1 PHE 62 -8.035 -4.729 -17.134 482 HE2 PHE 62 HE2 PHE 62 -8.692 -1.664 -19.995 483 HZ PHE 62 HZ PHE 62 -8.699 -4.039 -19.388 484 H GLU 63 H GLU 63 -8.956 -2.017 -13.429 485 HA GLU 63 HA GLU 63 -10.929 -2.911 -15.295 486 1HB GLU 63 1HB GLU 63 -9.587 -4.024 -12.843 487 2HB GLU 63 2HB GLU 63 -11.145 -4.695 -13.282 488 1HG GLU 63 1HG GLU 63 -9.401 -4.399 -15.633 489 2HG GLU 63 2HG GLU 63 -8.645 -5.381 -14.396 490 H ASP 64 H ASP 64 -10.755 -1.472 -12.013 491 HA ASP 64 HA ASP 64 -13.418 -1.899 -11.361 492 1HB ASP 64 1HB ASP 64 -11.189 -0.836 -10.110 493 2HB ASP 64 2HB ASP 64 -12.143 0.610 -10.369 494 H VAL 65 H VAL 65 -11.722 0.406 -13.437 495 HA VAL 65 HA VAL 65 -14.042 2.171 -13.540 496 HB VAL 65 HB VAL 65 -12.499 3.730 -13.739 497 1HG1 VAL 65 2HG1 VAL 65 -11.032 2.087 -12.530 498 2HG1 VAL 65 3HG1 VAL 65 -10.354 1.615 -14.108 499 3HG1 VAL 65 1HG1 VAL 65 -10.150 3.280 -13.513 500 1HG2 VAL 65 3HG2 VAL 65 -11.719 2.237 -16.258 501 2HG2 VAL 65 1HG2 VAL 65 -12.781 3.658 -16.108 502 3HG2 VAL 65 2HG2 VAL 65 -11.035 3.815 -15.799 503 H GLY 66 H GLY 66 -13.245 -0.743 -14.810 504 1HA GLY 66 2HA GLY 66 -15.100 -0.972 -16.713 505 2HA GLY 66 1HA GLY 66 -13.552 -1.789 -16.806 506 H HIS 67 H HIS 67 -11.776 -0.809 -18.033 507 HA HIS 67 HA HIS 67 -12.339 1.556 -19.535 508 1HB HIS 67 1HB HIS 67 -10.023 -0.345 -19.296 509 2HB HIS 67 2HB HIS 67 -10.081 0.790 -20.630 510 HD1 HIS 67 HD1 HIS 67 -10.114 0.785 -16.809 511 HD2 HIS 67 HD2 HIS 67 -9.240 3.342 -20.017 512 HE1 HIS 67 HE1 HIS 67 -9.088 2.886 -15.789 513 HE2 HIS 67 HE2 HIS 67 -8.521 4.398 -17.811 514 H SER 68 H SER 68 -11.559 1.275 -22.065 515 HA SER 68 HA SER 68 -13.416 -0.734 -23.057 516 1HB SER 68 1HB SER 68 -13.931 0.696 -24.826 517 2HB SER 68 2HB SER 68 -13.607 1.851 -23.548 518 HG SER 68 HG SER 68 -12.368 2.625 -25.192 519 H THR 69 H THR 69 -12.799 -1.993 -24.986 520 HA THR 69 HA THR 69 -10.223 -3.028 -24.853 521 HB THR 69 HB THR 69 -12.495 -3.100 -26.882 522 HG1 THR 69 HG1 THR 69 -12.599 -5.214 -25.884 523 1HG2 THR 69 1HG2 THR 69 -9.712 -3.836 -27.359 524 2HG2 THR 69 2HG2 THR 69 -10.713 -5.304 -27.260 525 3HG2 THR 69 3HG2 THR 69 -11.112 -4.035 -28.442 526 H ASP 70 H ASP 70 -11.442 -0.153 -26.465 527 HA ASP 70 HA ASP 70 -9.385 -0.015 -28.362 528 1HB ASP 70 1HB ASP 70 -11.555 1.229 -28.508 529 2HB ASP 70 2HB ASP 70 -11.093 2.195 -27.122 530 H ALA 71 H ALA 71 -9.980 1.370 -25.068 531 HA ALA 71 HA ALA 71 -7.747 3.025 -24.947 532 1HB ALA 71 2HB ALA 71 -8.141 2.943 -22.514 533 2HB ALA 71 3HB ALA 71 -9.675 3.106 -23.402 534 3HB ALA 71 1HB ALA 71 -9.200 1.528 -22.727 535 H ARG 72 H ARG 72 -8.217 -0.436 -23.991 536 HA ARG 72 HA ARG 72 -5.696 -0.770 -22.949 537 1HB ARG 72 1HB ARG 72 -7.385 -2.865 -24.408 538 2HB ARG 72 2HB ARG 72 -6.120 -3.199 -23.240 539 1HG ARG 72 1HG ARG 72 -7.437 -1.944 -21.495 540 2HG ARG 72 2HG ARG 72 -8.714 -1.689 -22.666 541 1HD ARG 72 1HD ARG 72 -9.243 -3.637 -21.237 542 2HD ARG 72 2HD ARG 72 -9.025 -4.148 -22.899 543 HE ARG 72 HE ARG 72 -6.562 -4.264 -21.306 544 1HH1 ARG 72 2HH1 ARG 72 -5.661 -6.325 -20.903 545 2HH1 ARG 72 1HH1 ARG 72 -6.600 -7.751 -21.190 546 1HH2 ARG 72 2HH2 ARG 72 -9.455 -6.007 -22.292 547 2HH2 ARG 72 1HH2 ARG 72 -8.772 -7.570 -21.987 548 H GLU 73 H GLU 73 -6.974 -1.092 -26.303 549 HA GLU 73 HA GLU 73 -4.657 -2.219 -27.364 550 1HB GLU 73 1HB GLU 73 -7.242 -1.467 -28.282 551 2HB GLU 73 2HB GLU 73 -6.111 -0.607 -29.307 552 1HG GLU 73 1HG GLU 73 -4.856 -2.886 -29.530 553 2HG GLU 73 2HG GLU 73 -6.298 -3.609 -28.845 554 H LEU 74 H LEU 74 -5.826 1.177 -27.022 555 HA LEU 74 HA LEU 74 -3.880 2.421 -28.531 556 1HB LEU 74 1HB LEU 74 -4.881 4.274 -27.838 557 2HB LEU 74 2HB LEU 74 -6.042 3.191 -27.095 558 HG LEU 74 HG LEU 74 -4.280 3.342 -25.069 559 1HD1 LEU 74 3HD1 LEU 74 -3.042 5.060 -26.723 560 2HD1 LEU 74 1HD1 LEU 74 -4.138 6.192 -25.893 561 3HD1 LEU 74 2HD1 LEU 74 -2.998 5.202 -24.950 562 1HD2 LEU 74 2HD2 LEU 74 -6.803 4.569 -25.755 563 2HD2 LEU 74 3HD2 LEU 74 -6.207 3.992 -24.180 564 3HD2 LEU 74 1HD2 LEU 74 -5.841 5.649 -24.717 565 H SER 75 H SER 75 -3.806 1.210 -25.150 566 HA SER 75 HA SER 75 -1.440 2.404 -24.421 567 1HB SER 75 1HB SER 75 -1.727 -0.289 -23.304 568 2HB SER 75 2HB SER 75 -1.797 1.262 -22.492 569 HG SER 75 HG SER 75 -3.873 -0.381 -23.374 570 H LYS 76 H LYS 76 -2.136 -0.591 -26.268 571 HA LYS 76 HA LYS 76 0.425 -1.687 -26.185 572 1HB LYS 76 1HB LYS 76 -0.635 -3.311 -27.271 573 2HB LYS 76 2HB LYS 76 -2.068 -2.304 -27.321 574 1HG LYS 76 1HG LYS 76 -1.195 -1.237 -29.444 575 2HG LYS 76 2HG LYS 76 0.162 -2.347 -29.409 576 1HD LYS 76 1HD LYS 76 -1.130 -4.182 -30.009 577 2HD LYS 76 2HD LYS 76 -2.556 -3.593 -29.180 578 1HE LYS 76 1HE LYS 76 -2.816 -1.827 -30.983 579 2HE LYS 76 2HE LYS 76 -1.458 -2.541 -31.832 580 1HZ LYS 76 3HZ LYS 76 -3.379 -4.486 -31.115 581 2HZ LYS 76 1HZ LYS 76 -4.046 -3.307 -32.027 582 3HZ LYS 76 2HZ LYS 76 -2.758 -4.140 -32.584 583 H THR 77 H THR 77 -0.651 1.268 -27.504 584 HA THR 77 HA THR 77 1.087 1.324 -29.776 585 HB THR 77 HB THR 77 -1.157 2.641 -29.185 586 HG1 THR 77 HG1 THR 77 -0.143 3.100 -31.150 587 1HG2 THR 77 3HG2 THR 77 0.083 3.758 -27.149 588 2HG2 THR 77 1HG2 THR 77 0.936 4.705 -28.392 589 3HG2 THR 77 2HG2 THR 77 -0.834 4.815 -28.251 590 H PHE 78 H PHE 78 1.250 2.454 -26.367 591 HA PHE 78 HA PHE 78 4.034 3.203 -26.908 592 1HB PHE 78 1HB PHE 78 1.779 4.404 -25.534 593 2HB PHE 78 2HB PHE 78 2.946 3.974 -24.298 594 HD1 PHE 78 HD1 PHE 78 5.077 5.103 -24.151 595 HD2 PHE 78 HD2 PHE 78 2.341 6.063 -27.249 596 HE1 PHE 78 HE1 PHE 78 6.391 7.178 -24.669 597 HE2 PHE 78 HE2 PHE 78 3.654 8.138 -27.767 598 HZ PHE 78 HZ PHE 78 5.663 8.671 -26.470 599 H ILE 79 H ILE 79 2.652 0.464 -26.227 600 HA ILE 79 HA ILE 79 3.273 -0.281 -23.654 601 HB ILE 79 HB ILE 79 2.553 -1.525 -26.143 602 1HG1 ILE 79 1HG1 ILE 79 2.188 -2.056 -23.206 603 2HG1 ILE 79 2HG1 ILE 79 0.999 -1.583 -24.403 604 1HG2 ILE 79 1HG2 ILE 79 4.842 -2.460 -26.046 605 2HG2 ILE 79 2HG2 ILE 79 4.476 -3.135 -24.441 606 3HG2 ILE 79 3HG2 ILE 79 3.576 -3.699 -25.869 607 1HD1 ILE 79 2HD1 ILE 79 1.501 -3.864 -25.554 608 2HD1 ILE 79 3HD1 ILE 79 2.302 -4.300 -24.025 609 3HD1 ILE 79 1HD1 ILE 79 0.569 -3.892 -24.037 610 H ILE 80 H ILE 80 5.127 -0.557 -22.522 611 HA ILE 80 HA ILE 80 7.608 -0.184 -23.982 612 HB ILE 80 HB ILE 80 8.097 -0.483 -21.232 613 1HG1 ILE 80 1HG1 ILE 80 5.602 1.157 -21.753 614 2HG1 ILE 80 2HG1 ILE 80 5.721 -0.287 -20.767 615 1HG2 ILE 80 2HG2 ILE 80 8.120 1.706 -23.257 616 2HG2 ILE 80 3HG2 ILE 80 8.254 2.150 -21.540 617 3HG2 ILE 80 1HG2 ILE 80 9.439 1.039 -22.267 618 1HD1 ILE 80 3HD1 ILE 80 7.690 1.244 -19.621 619 2HD1 ILE 80 1HD1 ILE 80 6.551 2.504 -20.150 620 3HD1 ILE 80 2HD1 ILE 80 6.003 1.211 -19.056 621 H GLY 81 H GLY 81 5.934 -2.581 -21.869 622 1HA GLY 81 2HA GLY 81 7.968 -4.450 -21.646 623 2HA GLY 81 1HA GLY 81 7.179 -4.767 -23.180 624 H GLU 82 H GLU 82 7.242 -6.113 -20.340 625 HA GLU 82 HA GLU 82 4.484 -5.976 -19.608 626 1HB GLU 82 1HB GLU 82 5.419 -8.745 -20.327 627 2HB GLU 82 2HB GLU 82 3.787 -8.112 -20.255 628 1HG GLU 82 1HG GLU 82 4.153 -6.804 -22.315 629 2HG GLU 82 2HG GLU 82 5.841 -7.274 -22.356 630 H LEU 83 H LEU 83 4.077 -7.719 -17.760 631 HA LEU 83 HA LEU 83 6.208 -7.325 -15.890 632 1HB LEU 83 1HB LEU 83 3.847 -7.073 -15.292 633 2HB LEU 83 2HB LEU 83 3.562 -8.763 -15.651 634 HG LEU 83 HG LEU 83 4.308 -9.446 -13.654 635 1HD1 LEU 83 1HD1 LEU 83 6.589 -7.551 -14.132 636 2HD1 LEU 83 2HD1 LEU 83 6.350 -8.288 -12.530 637 3HD1 LEU 83 3HD1 LEU 83 6.596 -9.322 -13.957 638 1HD2 LEU 83 2HD2 LEU 83 3.770 -6.531 -13.293 639 2HD2 LEU 83 3HD2 LEU 83 2.906 -7.949 -12.652 640 3HD2 LEU 83 1HD2 LEU 83 4.452 -7.446 -11.926 641 H HIS 84 H HIS 84 7.864 -8.683 -15.450 642 HA HIS 84 HA HIS 84 8.047 -11.098 -16.941 643 1HB HIS 84 1HB HIS 84 9.819 -9.300 -15.712 644 2HB HIS 84 2HB HIS 84 10.023 -10.802 -14.830 645 HD1 HIS 84 HD1 HIS 84 9.081 -11.202 -18.410 646 HD2 HIS 84 HD2 HIS 84 12.596 -10.993 -16.130 647 HE1 HIS 84 HE1 HIS 84 10.961 -12.046 -19.915 648 HE2 HIS 84 HE2 HIS 84 13.103 -11.844 -18.478 649 HA PRO 85 HA PRO 85 7.002 -13.980 -13.855 650 1HB PRO 85 1HB PRO 85 9.113 -15.676 -13.482 651 2HB PRO 85 2HB PRO 85 8.036 -15.776 -14.861 652 1HG PRO 85 1HG PRO 85 10.801 -14.735 -14.739 653 2HG PRO 85 2HG PRO 85 9.875 -15.234 -16.142 654 1HD PRO 85 1HD PRO 85 10.412 -12.543 -15.310 655 2HD PRO 85 2HD PRO 85 9.393 -13.043 -16.643 656 H ASP 86 H ASP 86 8.748 -11.525 -13.017 657 HA ASP 86 HA ASP 86 9.690 -12.461 -10.507 658 1HB ASP 86 1HB ASP 86 10.965 -10.650 -11.195 659 2HB ASP 86 2HB ASP 86 9.627 -9.888 -12.030 660 H ASP 87 H ASP 87 6.737 -11.128 -11.898 661 HA ASP 87 HA ASP 87 5.363 -11.515 -9.472 662 1HB ASP 87 1HB ASP 87 6.166 -8.753 -10.309 663 2HB ASP 87 2HB ASP 87 4.493 -8.937 -9.824 664 H ARG 88 H ARG 88 4.608 -12.913 -11.466 665 HA ARG 88 HA ARG 88 3.121 -11.456 -13.412 666 1HB ARG 88 1HB ARG 88 3.514 -14.440 -12.884 667 2HB ARG 88 2HB ARG 88 2.514 -13.840 -14.192 668 1HG ARG 88 1HG ARG 88 5.416 -12.973 -13.852 669 2HG ARG 88 2HG ARG 88 4.976 -14.406 -14.760 670 1HD ARG 88 1HD ARG 88 4.068 -11.546 -15.343 671 2HD ARG 88 2HD ARG 88 5.196 -12.490 -16.295 672 HE ARG 88 HE ARG 88 2.287 -12.711 -16.327 673 1HH1 ARG 88 2HH1 ARG 88 1.334 -14.203 -17.774 674 2HH1 ARG 88 1HH1 ARG 88 2.300 -15.443 -18.500 675 1HH2 ARG 88 2HH2 ARG 88 5.285 -14.459 -16.911 676 2HH2 ARG 88 1HH2 ARG 88 4.563 -15.589 -18.006 677 H SER 89 H SER 89 2.076 -14.435 -11.637 678 HA SER 89 HA SER 89 -0.580 -13.752 -11.675 679 1HB SER 89 1HB SER 89 0.462 -16.037 -11.232 680 2HB SER 89 2HB SER 89 0.791 -15.509 -9.595 681 HG SER 89 HG SER 89 -1.874 -15.209 -10.571 682 H LYS 90 H LYS 90 1.952 -12.312 -9.917 683 HA LYS 90 HA LYS 90 0.594 -11.794 -7.481 684 1HB LYS 90 1HB LYS 90 3.133 -10.962 -8.793 685 2HB LYS 90 2HB LYS 90 2.489 -9.878 -7.576 686 1HG LYS 90 1HG LYS 90 2.970 -11.317 -5.866 687 2HG LYS 90 2HG LYS 90 2.345 -12.705 -6.736 688 1HD LYS 90 1HD LYS 90 4.440 -12.877 -8.045 689 2HD LYS 90 2HD LYS 90 5.062 -11.421 -7.292 690 1HE LYS 90 1HE LYS 90 6.010 -12.811 -5.752 691 2HE LYS 90 2HE LYS 90 4.400 -12.957 -5.072 692 1HZ LYS 90 2HZ LYS 90 5.488 -14.709 -7.164 693 2HZ LYS 90 3HZ LYS 90 5.391 -15.090 -5.579 694 3HZ LYS 90 1HZ LYS 90 4.028 -14.865 -6.451 695 H ILE 91 H ILE 91 0.658 -10.341 -10.713 696 HA ILE 91 HA ILE 91 -1.198 -8.301 -9.699 697 HB ILE 91 HB ILE 91 -0.191 -6.646 -10.845 698 1HG1 ILE 91 1HG1 ILE 91 1.040 -8.583 -12.824 699 2HG1 ILE 91 2HG1 ILE 91 -0.528 -7.832 -13.044 700 1HG2 ILE 91 2HG2 ILE 91 1.462 -7.726 -9.259 701 2HG2 ILE 91 3HG2 ILE 91 2.229 -8.452 -10.694 702 3HG2 ILE 91 1HG2 ILE 91 2.152 -6.681 -10.525 703 1HD1 ILE 91 2HD1 ILE 91 1.563 -5.879 -12.315 704 2HD1 ILE 91 3HD1 ILE 91 1.904 -6.741 -13.836 705 3HD1 ILE 91 1HD1 ILE 91 0.383 -5.836 -13.648 706 H THR 92 H THR 92 -0.286 -10.677 -12.191 707 HA THR 92 HA THR 92 -1.858 -10.323 -14.260 708 HB THR 92 HB THR 92 -0.568 -12.463 -13.156 709 HG1 THR 92 HG1 THR 92 -2.723 -12.324 -15.145 710 1HG2 THR 92 1HG2 THR 92 -3.553 -13.162 -13.176 711 2HG2 THR 92 2HG2 THR 92 -2.212 -14.314 -12.963 712 3HG2 THR 92 3HG2 THR 92 -2.540 -13.088 -11.714 713 H LYS 93 H LYS 93 -3.987 -10.377 -14.948 714 HA LYS 93 HA LYS 93 -6.033 -10.911 -12.982 715 1HB LYS 93 1HB LYS 93 -5.128 -8.324 -13.123 716 2HB LYS 93 2HB LYS 93 -6.443 -8.294 -14.282 717 1HG LYS 93 1HG LYS 93 -7.739 -7.948 -12.419 718 2HG LYS 93 2HG LYS 93 -7.658 -9.693 -12.276 719 1HD LYS 93 1HD LYS 93 -5.279 -8.491 -11.085 720 2HD LYS 93 2HD LYS 93 -6.719 -7.755 -10.408 721 1HE LYS 93 1HE LYS 93 -7.388 -9.696 -9.355 722 2HE LYS 93 2HE LYS 93 -6.866 -10.720 -10.677 723 1HZ LYS 93 3HZ LYS 93 -4.638 -9.522 -9.487 724 2HZ LYS 93 1HZ LYS 93 -5.536 -10.237 -8.326 725 3HZ LYS 93 2HZ LYS 93 -5.003 -11.110 -9.599 726 HA PRO 94 HA PRO 94 -7.120 -12.297 -17.079 727 1HB PRO 94 1HB PRO 94 -8.200 -14.691 -16.322 728 2HB PRO 94 2HB PRO 94 -6.518 -14.497 -16.769 729 1HG PRO 94 1HG PRO 94 -7.693 -14.835 -14.078 730 2HG PRO 94 2HG PRO 94 -6.033 -15.066 -14.587 731 1HD PRO 94 1HD PRO 94 -7.089 -12.826 -13.138 732 2HD PRO 94 2HD PRO 94 -5.456 -13.004 -13.747 733 H SER 95 H SER 95 -9.252 -13.122 -14.375 734 HA SER 95 HA SER 95 -11.156 -11.259 -15.299 735 1HB SER 95 1HB SER 95 -12.948 -12.831 -15.896 736 2HB SER 95 2HB SER 95 -11.568 -13.064 -16.951 737 HG SER 95 HG SER 95 -12.210 -14.669 -14.624 738 H GLU 96 H GLU 96 -12.029 -10.503 -13.406 739 HA GLU 96 HA GLU 96 -12.159 -12.416 -11.209 740 1HB GLU 96 1HB GLU 96 -12.000 -10.435 -9.700 741 2HB GLU 96 2HB GLU 96 -10.598 -10.596 -10.741 742 1HG GLU 96 1HG GLU 96 -11.043 -8.645 -11.857 743 2HG GLU 96 2HG GLU 96 -12.761 -8.974 -11.956 744 H SER 97 H SER 97 -14.097 -12.607 -10.006 745 HA SER 97 HA SER 97 -16.200 -10.781 -10.361 746 1HB SER 97 1HB SER 97 -17.741 -12.019 -11.673 747 2HB SER 97 2HB SER 97 -16.228 -12.146 -12.549 748 HG SER 97 HG SER 97 -17.546 -14.130 -10.934 749 H ILE 98 H ILE 98 -17.927 -11.203 -8.831 750 HA ILE 98 HA ILE 98 -18.150 -13.643 -7.461 751 HB ILE 98 HB ILE 98 -15.927 -12.800 -6.609 752 1HG1 ILE 98 1HG1 ILE 98 -17.773 -13.022 -4.276 753 2HG1 ILE 98 2HG1 ILE 98 -17.798 -14.328 -5.444 754 1HG2 ILE 98 2HG2 ILE 98 -16.621 -10.401 -6.487 755 2HG2 ILE 98 3HG2 ILE 98 -17.628 -10.817 -5.080 756 3HG2 ILE 98 1HG2 ILE 98 -15.863 -11.028 -5.004 757 1HD1 ILE 98 2HD1 ILE 98 -15.187 -14.283 -5.256 758 2HD1 ILE 98 3HD1 ILE 98 -15.469 -13.342 -3.772 759 3HD1 ILE 98 1HD1 ILE 98 -16.117 -14.993 -3.914 760 H ILE 99 H ILE 99 -19.640 -13.310 -5.450 761 HA ILE 99 HA ILE 99 -21.702 -12.713 -4.876 762 HB ILE 99 HB ILE 99 -21.946 -10.410 -4.170 763 1HG1 ILE 99 1HG1 ILE 99 -19.338 -9.806 -5.587 764 2HG1 ILE 99 2HG1 ILE 99 -20.913 -9.416 -6.247 765 1HG2 ILE 99 3HG2 ILE 99 -20.441 -12.121 -2.982 766 2HG2 ILE 99 1HG2 ILE 99 -19.082 -11.165 -3.619 767 3HG2 ILE 99 2HG2 ILE 99 -20.276 -10.406 -2.539 768 1HD1 ILE 99 2HD1 ILE 99 -19.867 -8.451 -3.545 769 2HD1 ILE 99 3HD1 ILE 99 -19.923 -7.480 -5.036 770 3HD1 ILE 99 1HD1 ILE 99 -21.435 -8.021 -4.267 771 H THR 100 H THR 100 -23.348 -10.476 -5.522 772 HA THR 100 HA THR 100 -23.478 -10.242 -8.380 773 HB THR 100 HB THR 100 -25.388 -12.045 -6.820 774 HG1 THR 100 HG1 THR 100 -23.684 -12.102 -9.205 775 1HG2 THR 100 3HG2 THR 100 -26.592 -10.381 -8.417 776 2HG2 THR 100 1HG2 THR 100 -25.687 -11.173 -9.730 777 3HG2 THR 100 2HG2 THR 100 -26.836 -12.114 -8.746 778 H THR 101 H THR 101 -24.761 -8.526 -9.051 779 HA THR 101 HA THR 101 -25.407 -6.678 -6.941 780 HB THR 101 HB THR 101 -25.443 -6.645 -9.995 781 HG1 THR 101 HG1 THR 101 -23.990 -5.478 -7.735 782 1HG2 THR 101 2HG2 THR 101 -26.332 -4.534 -7.977 783 2HG2 THR 101 3HG2 THR 101 -25.658 -4.080 -9.562 784 3HG2 THR 101 1HG2 THR 101 -27.156 -5.039 -9.473 785 H ILE 102 H ILE 102 -27.221 -6.796 -5.787 786 HA ILE 102 HA ILE 102 -29.673 -7.380 -7.279 787 HB ILE 102 HB ILE 102 -30.479 -8.698 -5.363 788 1HG1 ILE 102 1HG1 ILE 102 -28.293 -9.597 -4.008 789 2HG1 ILE 102 2HG1 ILE 102 -27.850 -7.918 -4.246 790 1HG2 ILE 102 1HG2 ILE 102 -29.247 -9.606 -7.466 791 2HG2 ILE 102 2HG2 ILE 102 -27.941 -9.988 -6.320 792 3HG2 ILE 102 3HG2 ILE 102 -29.560 -10.692 -6.091 793 1HD1 ILE 102 1HD1 ILE 102 -30.464 -7.599 -3.503 794 2HD1 ILE 102 2HD1 ILE 102 -30.054 -9.084 -2.611 795 3HD1 ILE 102 3HD1 ILE 102 -29.106 -7.600 -2.351 796 H ASP 103 H ASP 103 -31.631 -6.838 -5.630 797 HA ASP 103 HA ASP 103 -31.151 -4.867 -3.740 798 1HB ASP 103 1HB ASP 103 -30.564 -3.479 -5.713 799 2HB ASP 103 2HB ASP 103 -32.090 -3.881 -6.475 800 H SER 104 H SER 104 -33.483 -5.371 -6.510 801 HA SER 104 HA SER 104 -35.348 -6.718 -4.965 802 1HB SER 104 1HB SER 104 -35.487 -4.280 -4.034 803 2HB SER 104 2HB SER 104 -36.268 -3.884 -5.553 804 HG SER 104 HG SER 104 -38.055 -4.986 -4.987 No H/Q in entry = 804 Start of MODEL 34 1 H ALA 1 H ALA 1 32.924 4.777 -26.833 2 HA ALA 1 HA ALA 1 33.674 3.716 -28.883 3 1HB ALA 1 3HB ALA 1 34.716 2.961 -26.835 4 2HB ALA 1 2HB ALA 1 34.379 1.529 -27.837 5 3HB ALA 1 1HB ALA 1 33.327 1.916 -26.454 6 H GLU 2 H GLU 2 31.013 1.893 -27.207 7 HA GLU 2 HA GLU 2 29.498 1.618 -29.469 8 1HB GLU 2 1HB GLU 2 31.735 -0.229 -29.427 9 2HB GLU 2 2HB GLU 2 30.242 -1.135 -29.285 10 1HG GLU 2 1HG GLU 2 29.331 -0.020 -31.300 11 2HG GLU 2 2HG GLU 2 30.758 0.989 -31.419 12 H GLU 3 H GLU 3 27.456 0.906 -28.846 13 HA GLU 3 HA GLU 3 27.051 -1.007 -26.883 14 1HB GLU 3 1HB GLU 3 27.885 1.215 -25.610 15 2HB GLU 3 2HB GLU 3 26.197 1.654 -25.772 16 1HG GLU 3 1HG GLU 3 25.452 -0.214 -24.494 17 2HG GLU 3 2HG GLU 3 26.951 -1.093 -24.726 18 H SER 4 H SER 4 24.627 -1.098 -26.251 19 HA SER 4 HA SER 4 22.820 0.525 -27.596 20 1HB SER 4 1HB SER 4 23.995 -1.404 -29.296 21 2HB SER 4 2HB SER 4 22.432 -2.079 -28.881 22 HG SER 4 HG SER 4 22.780 -0.385 -30.776 23 H SER 5 H SER 5 20.766 0.203 -26.680 24 HA SER 5 HA SER 5 19.811 -2.223 -25.824 25 1HB SER 5 1HB SER 5 21.757 -1.184 -24.014 26 2HB SER 5 2HB SER 5 20.201 -0.931 -23.248 27 HG SER 5 HG SER 5 20.125 -3.018 -22.814 28 H LYS 6 H LYS 6 17.596 -1.947 -25.591 29 HA LYS 6 HA LYS 6 16.438 0.253 -24.314 30 1HB LYS 6 1HB LYS 6 15.539 1.522 -26.148 31 2HB LYS 6 2HB LYS 6 17.285 1.482 -26.289 32 1HG LYS 6 1HG LYS 6 16.737 -0.706 -27.782 33 2HG LYS 6 2HG LYS 6 15.206 0.120 -27.991 34 1HD LYS 6 1HD LYS 6 17.465 1.976 -28.296 35 2HD LYS 6 2HD LYS 6 17.605 0.623 -29.401 36 1HE LYS 6 1HE LYS 6 15.934 1.428 -30.712 37 2HE LYS 6 2HE LYS 6 14.840 1.539 -29.348 38 1HZ LYS 6 2HZ LYS 6 16.293 3.604 -28.820 39 2HZ LYS 6 3HZ LYS 6 16.623 3.560 -30.418 40 3HZ LYS 6 1HZ LYS 6 15.079 3.705 -29.908 41 H ALA 7 H ALA 7 13.921 0.320 -25.151 42 HA ALA 7 HA ALA 7 12.016 -0.799 -25.247 43 1HB ALA 7 3HB ALA 7 13.777 -2.146 -27.138 44 2HB ALA 7 1HB ALA 7 12.593 -3.279 -26.444 45 3HB ALA 7 2HB ALA 7 12.034 -1.801 -27.262 46 H VAL 8 H VAL 8 11.950 -0.970 -22.935 47 HA VAL 8 HA VAL 8 13.189 -2.604 -21.268 48 HB VAL 8 HB VAL 8 11.656 -1.405 -20.158 49 1HG1 VAL 8 1HG1 VAL 8 10.137 -1.605 -22.687 50 2HG1 VAL 8 2HG1 VAL 8 9.144 -1.418 -21.221 51 3HG1 VAL 8 3HG1 VAL 8 10.397 -0.215 -21.607 52 1HG2 VAL 8 3HG2 VAL 8 11.231 -3.810 -19.566 53 2HG2 VAL 8 1HG2 VAL 8 9.859 -2.718 -19.256 54 3HG2 VAL 8 2HG2 VAL 8 9.847 -3.782 -20.684 55 H LYS 9 H LYS 9 10.106 -3.676 -22.876 56 HA LYS 9 HA LYS 9 9.540 -5.645 -23.732 57 1HB LYS 9 1HB LYS 9 12.261 -5.649 -24.167 58 2HB LYS 9 2HB LYS 9 12.038 -7.124 -23.248 59 1HG LYS 9 1HG LYS 9 10.272 -7.875 -24.824 60 2HG LYS 9 2HG LYS 9 10.403 -6.372 -25.717 61 1HD LYS 9 1HD LYS 9 13.044 -7.231 -25.683 62 2HD LYS 9 2HD LYS 9 12.182 -8.754 -25.756 63 1HE LYS 9 1HE LYS 9 10.868 -7.891 -27.728 64 2HE LYS 9 2HE LYS 9 11.797 -6.405 -27.673 65 1HZ LYS 9 2HZ LYS 9 13.074 -9.033 -27.920 66 2HZ LYS 9 3HZ LYS 9 12.613 -8.157 -29.218 67 3HZ LYS 9 1HZ LYS 9 13.740 -7.568 -28.194 68 H TYR 10 H TYR 10 11.803 -6.145 -20.932 69 HA TYR 10 HA TYR 10 9.568 -7.448 -19.554 70 1HB TYR 10 1HB TYR 10 12.068 -8.660 -18.803 71 2HB TYR 10 2HB TYR 10 10.780 -9.425 -19.714 72 HD1 TYR 10 HD1 TYR 10 13.842 -7.329 -20.106 73 HD2 TYR 10 HD2 TYR 10 11.083 -10.005 -21.984 74 HE1 TYR 10 HE1 TYR 10 15.359 -7.475 -22.142 75 HE2 TYR 10 HE2 TYR 10 12.609 -10.142 -24.013 76 HH TYR 10 HH TYR 10 14.752 -9.782 -24.678 77 H TYR 11 H TYR 11 9.163 -6.108 -17.858 78 HA TYR 11 HA TYR 11 11.514 -5.066 -16.423 79 1HB TYR 11 1HB TYR 11 8.961 -3.967 -17.484 80 2HB TYR 11 2HB TYR 11 9.118 -3.640 -15.770 81 HD1 TYR 11 HD1 TYR 11 9.204 -1.218 -16.231 82 HD2 TYR 11 HD2 TYR 11 12.157 -3.887 -17.802 83 HE1 TYR 11 HE1 TYR 11 10.722 0.754 -16.751 84 HE2 TYR 11 HE2 TYR 11 13.664 -1.905 -18.317 85 HH TYR 11 HH TYR 11 12.563 1.410 -17.674 86 H THR 12 H THR 12 11.097 -4.662 -14.040 87 HA THR 12 HA THR 12 9.435 -6.856 -12.995 88 HB THR 12 HB THR 12 11.063 -6.917 -11.152 89 HG1 THR 12 HG1 THR 12 12.772 -5.246 -11.252 90 1HG2 THR 12 2HG2 THR 12 12.417 -6.583 -13.878 91 2HG2 THR 12 3HG2 THR 12 13.269 -7.144 -12.420 92 3HG2 THR 12 1HG2 THR 12 11.943 -8.114 -13.102 93 H LEU 13 H LEU 13 8.198 -6.519 -11.065 94 HA LEU 13 HA LEU 13 6.594 -4.355 -11.091 95 1HB LEU 13 1HB LEU 13 7.300 -6.451 -9.166 96 2HB LEU 13 2HB LEU 13 6.667 -4.996 -8.420 97 HG LEU 13 HG LEU 13 5.313 -6.792 -10.436 98 1HD1 LEU 13 2HD1 LEU 13 5.374 -7.105 -7.805 99 2HD1 LEU 13 3HD1 LEU 13 4.068 -5.897 -7.876 100 3HD1 LEU 13 1HD1 LEU 13 3.907 -7.434 -8.759 101 1HD2 LEU 13 3HD2 LEU 13 4.940 -3.928 -10.042 102 2HD2 LEU 13 1HD2 LEU 13 4.297 -5.008 -11.302 103 3HD2 LEU 13 2HD2 LEU 13 3.453 -4.857 -9.740 104 H GLU 14 H GLU 14 9.796 -4.671 -9.504 105 HA GLU 14 HA GLU 14 9.603 -2.247 -8.127 106 1HB GLU 14 1HB GLU 14 11.441 -4.391 -8.329 107 2HB GLU 14 2HB GLU 14 12.346 -2.976 -8.829 108 1HG GLU 14 1HG GLU 14 11.991 -1.854 -6.760 109 2HG GLU 14 2HG GLU 14 10.618 -2.859 -6.338 110 H GLU 15 H GLU 15 11.290 -3.174 -11.213 111 HA GLU 15 HA GLU 15 12.379 -0.809 -11.845 112 1HB GLU 15 1HB GLU 15 12.521 -2.984 -13.135 113 2HB GLU 15 2HB GLU 15 10.951 -2.631 -13.829 114 1HG GLU 15 1HG GLU 15 12.274 -1.688 -15.479 115 2HG GLU 15 2HG GLU 15 12.128 -0.289 -14.434 116 H ILE 16 H ILE 16 8.936 -1.749 -12.046 117 HA ILE 16 HA ILE 16 8.249 0.696 -13.419 118 HB ILE 16 HB ILE 16 6.398 -1.368 -12.239 119 1HG1 ILE 16 1HG1 ILE 16 6.897 -1.644 -15.093 120 2HG1 ILE 16 2HG1 ILE 16 8.367 -1.877 -14.167 121 1HG2 ILE 16 3HG2 ILE 16 6.113 0.990 -14.003 122 2HG2 ILE 16 1HG2 ILE 16 5.220 -0.468 -14.499 123 3HG2 ILE 16 2HG2 ILE 16 4.952 0.232 -12.885 124 1HD1 ILE 16 3HD1 ILE 16 6.323 -3.235 -12.718 125 2HD1 ILE 16 1HD1 ILE 16 6.085 -3.652 -14.432 126 3HD1 ILE 16 2HD1 ILE 16 7.653 -3.961 -13.649 127 H GLN 17 H GLN 17 8.433 -0.615 -10.136 128 HA GLN 17 HA GLN 17 6.725 1.293 -8.993 129 1HB GLN 17 1HB GLN 17 7.773 -1.027 -8.111 130 2HB GLN 17 2HB GLN 17 8.947 0.056 -7.392 131 1HG GLN 17 1HG GLN 17 6.201 1.041 -7.012 132 2HG GLN 17 2HG GLN 17 6.396 -0.576 -6.367 133 1HE2 GLN 17 1HE2 GLN 17 5.891 0.927 -4.453 134 2HE2 GLN 17 2HE2 GLN 17 7.249 1.502 -3.545 135 H LYS 18 H LYS 18 9.824 1.542 -10.408 136 HA LYS 18 HA LYS 18 10.667 3.705 -8.656 137 1HB LYS 18 1HB LYS 18 12.059 2.436 -11.034 138 2HB LYS 18 2HB LYS 18 12.752 3.621 -9.945 139 1HG LYS 18 1HG LYS 18 11.648 0.950 -8.972 140 2HG LYS 18 2HG LYS 18 13.320 1.158 -9.454 141 1HD LYS 18 1HD LYS 18 12.009 2.942 -7.359 142 2HD LYS 18 2HD LYS 18 12.784 1.428 -6.936 143 1HE LYS 18 1HE LYS 18 14.862 2.346 -8.240 144 2HE LYS 18 2HE LYS 18 14.065 3.904 -8.155 145 1HZ LYS 18 2HZ LYS 18 13.983 2.708 -5.641 146 2HZ LYS 18 3HZ LYS 18 15.523 2.656 -6.181 147 3HZ LYS 18 1HZ LYS 18 14.738 4.085 -6.084 148 H HIS 19 H HIS 19 9.322 3.053 -11.892 149 HA HIS 19 HA HIS 19 9.599 5.855 -12.580 150 1HB HIS 19 1HB HIS 19 8.930 3.339 -14.057 151 2HB HIS 19 2HB HIS 19 8.347 4.860 -14.701 152 HD1 HIS 19 HD1 HIS 19 9.882 5.154 -16.689 153 HD2 HIS 19 HD2 HIS 19 11.966 4.347 -13.139 154 HE1 HIS 19 HE1 HIS 19 12.358 5.454 -17.229 155 HE2 HIS 19 HE2 HIS 19 13.584 4.998 -14.997 156 H ASN 20 H ASN 20 8.175 6.906 -11.139 157 HA ASN 20 HA ASN 20 5.386 6.305 -11.708 158 1HB ASN 20 1HB ASN 20 6.581 7.034 -8.982 159 2HB ASN 20 2HB ASN 20 4.865 6.884 -9.302 160 1HD2 ASN 20 1HD2 ASN 20 7.754 5.009 -10.221 161 2HD2 ASN 20 2HD2 ASN 20 7.205 3.468 -9.655 162 H ASN 21 H ASN 21 7.879 8.402 -12.112 163 HA ASN 21 HA ASN 21 6.563 10.789 -11.224 164 1HB ASN 21 1HB ASN 21 9.236 10.076 -12.432 165 2HB ASN 21 2HB ASN 21 8.670 11.716 -12.678 166 1HD2 ASN 21 1HD2 ASN 21 9.791 9.348 -10.423 167 2HD2 ASN 21 2HD2 ASN 21 9.976 10.369 -9.037 168 H SER 22 H SER 22 6.186 12.616 -12.856 169 HA SER 22 HA SER 22 4.675 11.705 -14.980 170 1HB SER 22 1HB SER 22 4.424 14.046 -15.575 171 2HB SER 22 2HB SER 22 4.430 13.924 -13.827 172 HG SER 22 HG SER 22 6.746 14.590 -15.437 173 H LYS 23 H LYS 23 8.103 12.118 -14.615 174 HA LYS 23 HA LYS 23 8.513 12.364 -17.490 175 1HB LYS 23 1HB LYS 23 10.103 12.923 -15.050 176 2HB LYS 23 2HB LYS 23 11.005 12.278 -16.407 177 1HG LYS 23 1HG LYS 23 10.113 14.056 -17.887 178 2HG LYS 23 2HG LYS 23 9.111 14.670 -16.586 179 1HD LYS 23 1HD LYS 23 10.829 15.943 -15.841 180 2HD LYS 23 2HD LYS 23 11.798 14.508 -15.573 181 1HE LYS 23 1HE LYS 23 11.845 14.887 -18.383 182 2HE LYS 23 2HE LYS 23 11.998 16.501 -17.716 183 1HZ LYS 23 2HZ LYS 23 13.593 14.646 -16.307 184 2HZ LYS 23 3HZ LYS 23 13.966 14.645 -17.896 185 3HZ LYS 23 1HZ LYS 23 14.033 16.036 -17.043 186 H SER 24 H SER 24 8.119 9.989 -15.043 187 HA SER 24 HA SER 24 9.082 8.016 -16.918 188 1HB SER 24 1HB SER 24 10.350 8.632 -14.331 189 2HB SER 24 2HB SER 24 9.864 6.952 -14.440 190 HG SER 24 HG SER 24 11.732 8.408 -16.053 191 H THR 25 H THR 25 6.537 8.245 -16.948 192 HA THR 25 HA THR 25 5.276 6.895 -14.699 193 HB THR 25 HB THR 25 3.815 7.730 -17.203 194 HG1 THR 25 HG1 THR 25 4.097 9.957 -16.457 195 1HG2 THR 25 1HG2 THR 25 3.392 7.755 -14.203 196 2HG2 THR 25 2HG2 THR 25 2.535 8.957 -15.198 197 3HG2 THR 25 3HG2 THR 25 2.281 7.218 -15.486 198 H TRP 26 H TRP 26 5.990 4.773 -14.724 199 HA TRP 26 HA TRP 26 5.314 3.300 -17.178 200 1HB TRP 26 1HB TRP 26 7.590 3.154 -15.298 201 2HB TRP 26 2HB TRP 26 6.920 1.612 -15.794 202 HD1 TRP 26 HD1 TRP 26 8.148 0.689 -17.896 203 HE1 TRP 26 HE1 TRP 26 9.375 1.606 -20.045 204 HE3 TRP 26 HE3 TRP 26 7.376 5.610 -16.879 205 HZ2 TRP 26 HZ2 TRP 26 9.874 4.228 -21.055 206 HZ3 TRP 26 HZ3 TRP 26 8.265 7.284 -18.498 207 HH2 TRP 26 HH2 TRP 26 9.478 6.662 -20.526 208 H LEU 27 H LEU 27 3.805 1.645 -16.998 209 HA LEU 27 HA LEU 27 3.104 0.707 -14.348 210 1HB LEU 27 1HB LEU 27 0.976 1.459 -14.254 211 2HB LEU 27 2HB LEU 27 1.735 2.813 -15.067 212 HG LEU 27 HG LEU 27 -0.165 2.558 -16.322 213 1HD1 LEU 27 3HD1 LEU 27 2.097 2.101 -17.623 214 2HD1 LEU 27 1HD1 LEU 27 1.318 0.531 -17.935 215 3HD1 LEU 27 2HD1 LEU 27 0.515 2.038 -18.438 216 1HD2 LEU 27 3HD2 LEU 27 -0.499 0.200 -15.039 217 2HD2 LEU 27 1HD2 LEU 27 -1.513 0.755 -16.391 218 3HD2 LEU 27 2HD2 LEU 27 -0.174 -0.376 -16.691 219 H ILE 28 H ILE 28 1.364 -1.121 -14.610 220 HA ILE 28 HA ILE 28 1.982 -2.550 -17.102 221 HB ILE 28 HB ILE 28 1.456 -3.965 -14.518 222 1HG1 ILE 28 1HG1 ILE 28 4.290 -3.425 -15.267 223 2HG1 ILE 28 2HG1 ILE 28 3.406 -2.120 -14.501 224 1HG2 ILE 28 1HG2 ILE 28 1.465 -5.165 -16.708 225 2HG2 ILE 28 2HG2 ILE 28 3.173 -4.705 -16.901 226 3HG2 ILE 28 3HG2 ILE 28 2.680 -5.751 -15.547 227 1HD1 ILE 28 2HD1 ILE 28 2.829 -4.615 -13.120 228 2HD1 ILE 28 3HD1 ILE 28 4.589 -4.371 -13.235 229 3HD1 ILE 28 1HD1 ILE 28 3.566 -3.125 -12.479 230 H LEU 29 H LEU 29 0.250 -3.161 -18.300 231 HA LEU 29 HA LEU 29 -2.356 -3.047 -16.945 232 1HB LEU 29 1HB LEU 29 -1.482 -1.375 -18.922 233 2HB LEU 29 2HB LEU 29 -2.289 -2.619 -19.854 234 HG LEU 29 HG LEU 29 -3.430 -0.670 -17.888 235 1HD1 LEU 29 3HD1 LEU 29 -3.407 -0.396 -20.429 236 2HD1 LEU 29 1HD1 LEU 29 -4.630 -1.688 -20.463 237 3HD1 LEU 29 2HD1 LEU 29 -4.962 -0.171 -19.593 238 1HD2 LEU 29 3HD2 LEU 29 -4.441 -3.461 -18.359 239 2HD2 LEU 29 1HD2 LEU 29 -4.321 -2.535 -16.845 240 3HD2 LEU 29 2HD2 LEU 29 -5.577 -2.130 -18.039 241 H HIS 30 H HIS 30 -3.518 -4.904 -16.946 242 HA HIS 30 HA HIS 30 -4.198 -6.929 -17.465 243 1HB HIS 30 1HB HIS 30 -4.262 -5.975 -19.810 244 2HB HIS 30 2HB HIS 30 -2.697 -6.715 -20.083 245 HD1 HIS 30 HD1 HIS 30 -3.517 -9.389 -18.376 246 HD2 HIS 30 HD2 HIS 30 -5.545 -7.694 -21.634 247 HE1 HIS 30 HE1 HIS 30 -4.894 -11.268 -19.417 248 HE2 HIS 30 HE2 HIS 30 -6.159 -10.153 -21.381 249 H TYR 31 H TYR 31 -0.764 -6.382 -18.484 250 HA TYR 31 HA TYR 31 0.348 -7.944 -16.518 251 1HB TYR 31 1HB TYR 31 0.005 -10.103 -17.307 252 2HB TYR 31 2HB TYR 31 -1.032 -9.441 -18.555 253 HD1 TYR 31 HD1 TYR 31 -0.449 -9.708 -20.804 254 HD2 TYR 31 HD2 TYR 31 2.586 -10.070 -17.809 255 HE1 TYR 31 HE1 TYR 31 1.218 -10.452 -22.572 256 HE2 TYR 31 HE2 TYR 31 4.242 -10.815 -19.588 257 HH TYR 31 HH TYR 31 3.220 -11.146 -22.977 258 H LYS 32 H LYS 32 0.339 -6.237 -19.509 259 HA LYS 32 HA LYS 32 3.229 -6.536 -19.808 260 1HB LYS 32 1HB LYS 32 1.085 -5.394 -21.615 261 2HB LYS 32 2HB LYS 32 2.798 -5.255 -21.951 262 1HG LYS 32 1HG LYS 32 2.918 -7.400 -22.691 263 2HG LYS 32 2HG LYS 32 2.140 -8.013 -21.244 264 1HD LYS 32 1HD LYS 32 0.182 -8.309 -22.351 265 2HD LYS 32 2HD LYS 32 0.157 -6.630 -22.850 266 1HE LYS 32 1HE LYS 32 1.955 -7.397 -24.637 267 2HE LYS 32 2HE LYS 32 1.360 -9.011 -24.296 268 1HZ LYS 32 2HZ LYS 32 -0.912 -7.754 -24.622 269 2HZ LYS 32 3HZ LYS 32 0.013 -6.810 -25.579 270 3HZ LYS 32 1HZ LYS 32 -0.097 -8.412 -25.873 271 H VAL 33 H VAL 33 4.468 -4.453 -20.271 272 HA VAL 33 HA VAL 33 3.556 -2.456 -18.333 273 HB VAL 33 HB VAL 33 6.307 -2.953 -19.485 274 1HG1 VAL 33 2HG1 VAL 33 5.178 -0.960 -17.573 275 2HG1 VAL 33 3HG1 VAL 33 6.783 -1.635 -17.205 276 3HG1 VAL 33 1HG1 VAL 33 6.502 -0.799 -18.751 277 1HG2 VAL 33 1HG2 VAL 33 4.969 -4.614 -17.750 278 2HG2 VAL 33 2HG2 VAL 33 6.738 -4.467 -17.879 279 3HG2 VAL 33 3HG2 VAL 33 5.856 -3.545 -16.638 280 H TYR 34 H TYR 34 2.940 -0.453 -19.001 281 HA TYR 34 HA TYR 34 3.507 0.201 -21.815 282 1HB TYR 34 1HB TYR 34 1.221 1.017 -19.914 283 2HB TYR 34 2HB TYR 34 1.312 1.449 -21.610 284 HD1 TYR 34 HD1 TYR 34 1.409 -1.658 -19.496 285 HD2 TYR 34 HD2 TYR 34 0.020 0.212 -23.083 286 HE1 TYR 34 HE1 TYR 34 0.126 -3.766 -20.107 287 HE2 TYR 34 HE2 TYR 34 -1.258 -1.902 -23.682 288 HH TYR 34 HH TYR 34 -0.989 -4.802 -21.671 289 H ASP 35 H ASP 35 3.792 2.505 -22.315 290 HA ASP 35 HA ASP 35 5.219 3.767 -20.164 291 1HB ASP 35 1HB ASP 35 6.277 3.721 -22.369 292 2HB ASP 35 2HB ASP 35 4.857 4.420 -23.123 293 H LEU 36 H LEU 36 3.637 4.701 -18.765 294 HA LEU 36 HA LEU 36 1.287 5.916 -19.725 295 1HB LEU 36 1HB LEU 36 2.736 5.928 -17.088 296 2HB LEU 36 2HB LEU 36 1.277 6.864 -17.344 297 HG LEU 36 HG LEU 36 1.638 3.908 -17.141 298 1HD1 LEU 36 3HD1 LEU 36 0.440 5.942 -15.609 299 2HD1 LEU 36 1HD1 LEU 36 -0.895 4.963 -16.260 300 3HD1 LEU 36 2HD1 LEU 36 0.402 4.187 -15.320 301 1HD2 LEU 36 3HD2 LEU 36 -0.364 5.258 -18.939 302 2HD2 LEU 36 1HD2 LEU 36 0.647 3.825 -19.242 303 3HD2 LEU 36 2HD2 LEU 36 -0.740 3.715 -18.135 304 H THR 37 H THR 37 4.618 7.016 -19.224 305 HA THR 37 HA THR 37 4.237 9.739 -19.027 306 HB THR 37 HB THR 37 6.364 7.827 -19.877 307 HG1 THR 37 HG1 THR 37 6.020 10.318 -18.364 308 1HG2 THR 37 3HG2 THR 37 6.398 10.785 -20.676 309 2HG2 THR 37 1HG2 THR 37 7.850 9.760 -20.575 310 3HG2 THR 37 2HG2 THR 37 6.584 9.395 -21.772 311 H LYS 38 H LYS 38 3.438 7.632 -21.668 312 HA LYS 38 HA LYS 38 3.454 9.852 -23.549 313 1HB LYS 38 1HB LYS 38 4.197 7.314 -23.919 314 2HB LYS 38 2HB LYS 38 2.493 7.116 -24.276 315 1HG LYS 38 1HG LYS 38 3.144 9.467 -25.653 316 2HG LYS 38 2HG LYS 38 4.591 8.495 -25.840 317 1HD LYS 38 1HD LYS 38 3.554 7.263 -27.431 318 2HD LYS 38 2HD LYS 38 2.380 6.724 -26.249 319 1HE LYS 38 1HE LYS 38 1.008 8.778 -26.681 320 2HE LYS 38 2HE LYS 38 2.180 9.308 -27.871 321 1HZ LYS 38 2HZ LYS 38 0.970 6.665 -28.110 322 2HZ LYS 38 3HZ LYS 38 0.155 7.983 -28.626 323 3HZ LYS 38 1HZ LYS 38 1.606 7.611 -29.280 324 H PHE 39 H PHE 39 1.272 7.771 -21.637 325 HA PHE 39 HA PHE 39 -1.071 8.738 -22.947 326 1HB PHE 39 1HB PHE 39 -0.254 7.013 -20.593 327 2HB PHE 39 2HB PHE 39 -1.883 7.657 -20.547 328 HD1 PHE 39 HD1 PHE 39 0.013 4.927 -21.521 329 HD2 PHE 39 HD2 PHE 39 -3.183 7.358 -22.893 330 HE1 PHE 39 HE1 PHE 39 -0.765 3.063 -23.011 331 HE2 PHE 39 HE2 PHE 39 -3.961 5.494 -24.383 332 HZ PHE 39 HZ PHE 39 -2.743 3.369 -24.425 333 H LEU 40 H LEU 40 1.120 10.133 -20.756 334 HA LEU 40 HA LEU 40 -0.550 11.370 -18.917 335 1HB LEU 40 1HB LEU 40 2.151 11.991 -20.062 336 2HB LEU 40 2HB LEU 40 1.376 13.118 -18.969 337 HG LEU 40 HG LEU 40 2.509 10.411 -18.433 338 1HD1 LEU 40 1HD1 LEU 40 2.874 13.157 -17.537 339 2HD1 LEU 40 2HD1 LEU 40 2.722 12.016 -16.179 340 3HD1 LEU 40 3HD1 LEU 40 3.967 11.756 -17.424 341 1HD2 LEU 40 1HD2 LEU 40 0.096 11.541 -17.014 342 2HD2 LEU 40 2HD2 LEU 40 0.327 9.918 -17.708 343 3HD2 LEU 40 3HD2 LEU 40 1.212 10.392 -16.238 344 H GLU 41 H GLU 41 -0.457 11.673 -22.318 345 HA GLU 41 HA GLU 41 -1.495 14.382 -22.171 346 1HB GLU 41 1HB GLU 41 0.376 13.405 -23.856 347 2HB GLU 41 2HB GLU 41 -1.044 13.000 -24.800 348 1HG GLU 41 1HG GLU 41 -1.787 15.483 -24.335 349 2HG GLU 41 2HG GLU 41 -0.110 15.744 -23.894 350 H GLU 42 H GLU 42 -2.216 11.092 -23.508 351 HA GLU 42 HA GLU 42 -4.862 11.943 -24.190 352 1HB GLU 42 1HB GLU 42 -3.102 9.663 -24.786 353 2HB GLU 42 2HB GLU 42 -4.743 9.148 -24.450 354 1HG GLU 42 1HG GLU 42 -5.200 9.698 -26.612 355 2HG GLU 42 2HG GLU 42 -5.163 11.368 -26.078 356 H HIS 43 H HIS 43 -6.312 12.210 -22.539 357 HA HIS 43 HA HIS 43 -7.347 10.160 -21.124 358 1HB HIS 43 1HB HIS 43 -4.781 10.717 -20.084 359 2HB HIS 43 2HB HIS 43 -5.917 11.379 -18.925 360 HD1 HIS 43 HD1 HIS 43 -4.187 8.345 -19.622 361 HD2 HIS 43 HD2 HIS 43 -8.079 9.257 -18.354 362 HE1 HIS 43 HE1 HIS 43 -5.105 6.220 -18.550 363 HE2 HIS 43 HE2 HIS 43 -7.480 6.857 -17.741 364 HA PRO 44 HA PRO 44 -9.832 13.700 -20.556 365 1HB PRO 44 1HB PRO 44 -12.109 12.420 -19.756 366 2HB PRO 44 2HB PRO 44 -11.678 12.645 -21.439 367 1HG PRO 44 1HG PRO 44 -11.529 10.190 -19.798 368 2HG PRO 44 2HG PRO 44 -11.515 10.346 -21.544 369 1HD PRO 44 1HD PRO 44 -9.261 9.828 -19.849 370 2HD PRO 44 2HD PRO 44 -9.230 10.100 -21.580 371 H GLY 45 H GLY 45 -8.548 11.723 -18.250 372 1HA GLY 45 2HA GLY 45 -8.856 11.706 -15.933 373 2HA GLY 45 1HA GLY 45 -9.864 13.136 -16.040 374 H GLY 46 H GLY 46 -6.506 12.239 -17.137 375 1HA GLY 46 2HA GLY 46 -5.400 14.351 -15.463 376 2HA GLY 46 1HA GLY 46 -5.250 14.579 -17.193 377 H GLU 47 H GLU 47 -2.949 14.334 -15.618 378 HA GLU 47 HA GLU 47 -1.810 12.025 -16.835 379 1HB GLU 47 1HB GLU 47 -0.754 14.381 -15.262 380 2HB GLU 47 2HB GLU 47 0.278 12.986 -15.510 381 1HG GLU 47 1HG GLU 47 0.786 14.344 -17.374 382 2HG GLU 47 2HG GLU 47 -0.361 13.197 -18.038 383 H GLU 48 H GLU 48 -2.631 13.170 -13.527 384 HA GLU 48 HA GLU 48 -1.317 11.299 -12.067 385 1HB GLU 48 1HB GLU 48 -3.273 13.273 -11.612 386 2HB GLU 48 2HB GLU 48 -4.016 11.799 -11.020 387 1HG GLU 48 1HG GLU 48 -1.864 11.338 -9.718 388 2HG GLU 48 2HG GLU 48 -1.301 12.926 -10.196 389 H VAL 49 H VAL 49 -4.468 11.028 -13.789 390 HA VAL 49 HA VAL 49 -5.399 8.680 -12.779 391 HB VAL 49 HB VAL 49 -6.372 10.280 -14.511 392 1HG1 VAL 49 2HG1 VAL 49 -4.248 9.586 -16.047 393 2HG1 VAL 49 3HG1 VAL 49 -5.472 8.452 -16.668 394 3HG1 VAL 49 1HG1 VAL 49 -5.784 10.204 -16.699 395 1HG2 VAL 49 1HG2 VAL 49 -6.656 7.275 -14.835 396 2HG2 VAL 49 2HG2 VAL 49 -7.599 8.340 -13.765 397 3HG2 VAL 49 3HG2 VAL 49 -7.770 8.476 -15.531 398 H LEU 50 H LEU 50 -2.501 9.255 -14.669 399 HA LEU 50 HA LEU 50 -2.203 6.354 -15.011 400 1HB LEU 50 1HB LEU 50 -0.750 8.538 -16.500 401 2HB LEU 50 2HB LEU 50 -0.710 6.817 -16.825 402 HG LEU 50 HG LEU 50 -3.440 7.750 -16.923 403 1HD1 LEU 50 3HD1 LEU 50 -1.856 9.844 -17.558 404 2HD1 LEU 50 1HD1 LEU 50 -1.979 9.047 -19.145 405 3HD1 LEU 50 2HD1 LEU 50 -3.453 9.547 -18.284 406 1HD2 LEU 50 3HD2 LEU 50 -1.571 6.608 -19.018 407 2HD2 LEU 50 1HD2 LEU 50 -2.671 5.697 -17.957 408 3HD2 LEU 50 2HD2 LEU 50 -3.333 6.792 -19.194 409 H ARG 51 H ARG 51 -0.629 9.420 -13.957 410 HA ARG 51 HA ARG 51 1.747 8.222 -13.193 411 1HB ARG 51 1HB ARG 51 1.094 10.756 -13.470 412 2HB ARG 51 2HB ARG 51 0.559 10.657 -11.804 413 1HG ARG 51 1HG ARG 51 3.260 9.499 -12.281 414 2HG ARG 51 2HG ARG 51 3.152 11.219 -12.601 415 1HD ARG 51 1HD ARG 51 1.958 11.394 -10.283 416 2HD ARG 51 2HD ARG 51 2.537 9.766 -9.996 417 HE ARG 51 HE ARG 51 4.698 10.612 -9.703 418 1HH1 ARG 51 2HH1 ARG 51 6.304 12.235 -9.602 419 2HH1 ARG 51 1HH1 ARG 51 6.000 13.797 -10.285 420 1HH2 ARG 51 2HH2 ARG 51 2.744 13.012 -11.378 421 2HH2 ARG 51 1HH2 ARG 51 3.962 14.244 -11.302 422 H GLU 52 H GLU 52 -1.292 9.013 -11.384 423 HA GLU 52 HA GLU 52 -0.400 8.286 -8.891 424 1HB GLU 52 1HB GLU 52 -2.757 9.247 -9.973 425 2HB GLU 52 2HB GLU 52 -3.237 7.636 -9.478 426 1HG GLU 52 1HG GLU 52 -1.785 9.602 -7.647 427 2HG GLU 52 2HG GLU 52 -3.527 9.425 -7.692 428 H GLN 53 H GLN 53 -1.184 6.336 -11.693 429 HA GLN 53 HA GLN 53 -1.455 3.974 -10.046 430 1HB GLN 53 1HB GLN 53 -2.082 2.842 -12.160 431 2HB GLN 53 2HB GLN 53 -3.074 4.259 -11.875 432 1HG GLN 53 1HG GLN 53 -1.786 5.583 -13.468 433 2HG GLN 53 2HG GLN 53 -0.566 4.333 -13.610 434 1HE2 GLN 53 1HE2 GLN 53 -3.748 5.387 -14.479 435 2HE2 GLN 53 2HE2 GLN 53 -4.096 4.200 -15.691 436 H ALA 54 H ALA 54 0.785 5.661 -12.216 437 HA ALA 54 HA ALA 54 2.449 3.646 -13.006 438 1HB ALA 54 3HB ALA 54 3.187 6.453 -12.081 439 2HB ALA 54 1HB ALA 54 4.171 5.405 -13.131 440 3HB ALA 54 2HB ALA 54 2.600 6.014 -13.703 441 H GLY 55 H GLY 55 3.924 2.298 -12.048 442 1HA GLY 55 2HA GLY 55 4.217 2.565 -9.129 443 2HA GLY 55 1HA GLY 55 5.639 2.422 -10.143 444 H GLY 56 H GLY 56 2.940 0.778 -11.523 445 1HA GLY 56 2HA GLY 56 3.090 -1.664 -10.066 446 2HA GLY 56 1HA GLY 56 4.093 -1.727 -11.502 447 H ASP 57 H ASP 57 1.770 -3.370 -11.115 448 HA ASP 57 HA ASP 57 0.513 -2.926 -13.544 449 1HB ASP 57 1HB ASP 57 0.432 -5.156 -12.863 450 2HB ASP 57 2HB ASP 57 0.132 -4.745 -11.185 451 H ALA 58 H ALA 58 -1.045 -1.357 -13.973 452 HA ALA 58 HA ALA 58 -2.539 -0.272 -11.717 453 1HB ALA 58 1HB ALA 58 -1.287 1.222 -13.294 454 2HB ALA 58 2HB ALA 58 -2.357 0.670 -14.605 455 3HB ALA 58 3HB ALA 58 -3.030 1.571 -13.225 456 H THR 59 H THR 59 -2.797 -2.559 -14.300 457 HA THR 59 HA THR 59 -5.319 -2.376 -15.242 458 HB THR 59 HB THR 59 -3.265 -4.267 -15.179 459 HG1 THR 59 HG1 THR 59 -6.077 -4.417 -16.017 460 1HG2 THR 59 1HG2 THR 59 -5.806 -5.398 -13.900 461 2HG2 THR 59 2HG2 THR 59 -4.583 -6.403 -14.711 462 3HG2 THR 59 3HG2 THR 59 -4.153 -5.489 -13.247 463 H GLU 60 H GLU 60 -4.447 -3.992 -12.112 464 HA GLU 60 HA GLU 60 -6.823 -4.800 -11.305 465 1HB GLU 60 1HB GLU 60 -6.075 -4.140 -8.937 466 2HB GLU 60 2HB GLU 60 -4.962 -5.134 -9.858 467 1HG GLU 60 1HG GLU 60 -3.364 -3.559 -9.551 468 2HG GLU 60 2HG GLU 60 -4.299 -2.459 -10.546 469 H ASN 61 H ASN 61 -5.698 -1.387 -11.349 470 HA ASN 61 HA ASN 61 -8.144 -0.517 -10.148 471 1HB ASN 61 1HB ASN 61 -5.530 0.533 -10.395 472 2HB ASN 61 2HB ASN 61 -6.489 1.567 -11.435 473 1HD2 ASN 61 1HD2 ASN 61 -5.268 1.395 -8.492 474 2HD2 ASN 61 2HD2 ASN 61 -6.451 2.228 -7.538 475 H PHE 62 H PHE 62 -6.348 -0.148 -13.295 476 HA PHE 62 HA PHE 62 -8.185 1.346 -14.662 477 1HB PHE 62 1HB PHE 62 -6.323 0.986 -16.004 478 2HB PHE 62 2HB PHE 62 -5.914 -0.481 -15.136 479 HD1 PHE 62 HD1 PHE 62 -7.449 -2.563 -15.714 480 HD2 PHE 62 HD2 PHE 62 -6.921 0.815 -18.228 481 HE1 PHE 62 HE1 PHE 62 -8.145 -3.932 -17.698 482 HE2 PHE 62 HE2 PHE 62 -7.616 -0.555 -20.212 483 HZ PHE 62 HZ PHE 62 -8.220 -2.912 -19.924 484 H GLU 63 H GLU 63 -8.546 -1.875 -13.449 485 HA GLU 63 HA GLU 63 -10.407 -2.650 -15.479 486 1HB GLU 63 1HB GLU 63 -9.101 -3.917 -13.117 487 2HB GLU 63 2HB GLU 63 -10.711 -4.509 -13.479 488 1HG GLU 63 1HG GLU 63 -8.977 -4.202 -15.877 489 2HG GLU 63 2HG GLU 63 -8.380 -5.372 -14.717 490 H ASP 64 H ASP 64 -10.406 -1.269 -12.194 491 HA ASP 64 HA ASP 64 -13.110 -1.777 -11.686 492 1HB ASP 64 1HB ASP 64 -10.943 -0.777 -10.263 493 2HB ASP 64 2HB ASP 64 -11.915 0.665 -10.475 494 H VAL 65 H VAL 65 -11.238 0.769 -13.351 495 HA VAL 65 HA VAL 65 -13.459 2.591 -13.472 496 HB VAL 65 HB VAL 65 -11.591 3.831 -13.456 497 1HG1 VAL 65 2HG1 VAL 65 -10.202 1.471 -14.739 498 2HG1 VAL 65 3HG1 VAL 65 -9.401 3.050 -14.546 499 3HG1 VAL 65 1HG1 VAL 65 -9.966 2.156 -13.114 500 1HG2 VAL 65 2HG2 VAL 65 -12.677 4.256 -15.662 501 2HG2 VAL 65 3HG2 VAL 65 -10.937 4.624 -15.645 502 3HG2 VAL 65 1HG2 VAL 65 -11.521 3.127 -16.409 503 H GLY 66 H GLY 66 -12.985 -0.356 -14.832 504 1HA GLY 66 2HA GLY 66 -14.944 -0.464 -16.596 505 2HA GLY 66 1HA GLY 66 -13.427 -1.298 -16.868 506 H HIS 67 H HIS 67 -11.681 -0.143 -18.092 507 HA HIS 67 HA HIS 67 -12.304 2.262 -19.428 508 1HB HIS 67 1HB HIS 67 -10.123 0.196 -19.663 509 2HB HIS 67 2HB HIS 67 -10.248 1.500 -20.829 510 HD1 HIS 67 HD1 HIS 67 -9.358 0.793 -17.248 511 HD2 HIS 67 HD2 HIS 67 -9.624 4.088 -19.829 512 HE1 HIS 67 HE1 HIS 67 -8.190 2.727 -16.062 513 HE2 HIS 67 HE2 HIS 67 -8.340 4.709 -17.719 514 H SER 68 H SER 68 -11.810 2.097 -22.058 515 HA SER 68 HA SER 68 -13.979 0.385 -22.947 516 1HB SER 68 1HB SER 68 -14.356 1.924 -24.697 517 2HB SER 68 2HB SER 68 -13.921 2.949 -23.345 518 HG SER 68 HG SER 68 -12.630 3.717 -24.957 519 H THR 69 H THR 69 -13.721 -0.944 -24.878 520 HA THR 69 HA THR 69 -11.361 -2.349 -25.034 521 HB THR 69 HB THR 69 -13.768 -1.929 -26.837 522 HG1 THR 69 HG1 THR 69 -13.976 -4.173 -26.087 523 1HG2 THR 69 2HG2 THR 69 -11.530 -2.500 -28.160 524 2HG2 THR 69 3HG2 THR 69 -11.699 -4.086 -27.369 525 3HG2 THR 69 1HG2 THR 69 -12.985 -3.485 -28.442 526 H ASP 70 H ASP 70 -12.076 0.825 -26.280 527 HA ASP 70 HA ASP 70 -10.151 0.714 -28.343 528 1HB ASP 70 1HB ASP 70 -12.100 2.300 -28.290 529 2HB ASP 70 2HB ASP 70 -11.391 3.109 -26.908 530 H ALA 71 H ALA 71 -10.380 2.193 -25.024 531 HA ALA 71 HA ALA 71 -7.858 3.336 -24.958 532 1HB ALA 71 1HB ALA 71 -8.222 3.470 -22.577 533 2HB ALA 71 2HB ALA 71 -9.799 3.687 -23.372 534 3HB ALA 71 3HB ALA 71 -9.387 2.126 -22.623 535 H ARG 72 H ARG 72 -8.987 0.017 -24.085 536 HA ARG 72 HA ARG 72 -6.564 -0.818 -23.062 537 1HB ARG 72 1HB ARG 72 -8.626 -2.542 -24.522 538 2HB ARG 72 2HB ARG 72 -7.467 -3.099 -23.331 539 1HG ARG 72 1HG ARG 72 -8.546 -1.606 -21.612 540 2HG ARG 72 2HG ARG 72 -9.731 -1.114 -22.808 541 1HD ARG 72 1HD ARG 72 -10.548 -2.960 -21.289 542 2HD ARG 72 2HD ARG 72 -10.615 -3.382 -22.988 543 HE ARG 72 HE ARG 72 -8.767 -4.501 -20.968 544 1HH1 ARG 72 2HH1 ARG 72 -7.570 -6.346 -21.585 545 2HH1 ARG 72 1HH1 ARG 72 -7.527 -6.834 -23.247 546 1HH2 ARG 72 2HH2 ARG 72 -9.592 -4.214 -24.377 547 2HH2 ARG 72 1HH2 ARG 72 -8.684 -5.613 -24.846 548 H GLU 73 H GLU 73 -8.012 -1.119 -26.378 549 HA GLU 73 HA GLU 73 -5.916 -2.550 -27.470 550 1HB GLU 73 1HB GLU 73 -8.296 -1.109 -28.416 551 2HB GLU 73 2HB GLU 73 -6.977 -0.999 -29.563 552 1HG GLU 73 1HG GLU 73 -6.868 -3.679 -28.810 553 2HG GLU 73 2HG GLU 73 -8.590 -3.358 -28.763 554 H LEU 74 H LEU 74 -6.491 0.988 -27.129 555 HA LEU 74 HA LEU 74 -4.372 1.833 -28.728 556 1HB LEU 74 1HB LEU 74 -5.258 3.788 -28.256 557 2HB LEU 74 2HB LEU 74 -6.393 2.977 -27.196 558 HG LEU 74 HG LEU 74 -4.392 3.215 -25.451 559 1HD1 LEU 74 3HD1 LEU 74 -3.456 4.741 -27.680 560 2HD1 LEU 74 1HD1 LEU 74 -3.796 5.848 -26.327 561 3HD1 LEU 74 2HD1 LEU 74 -2.688 4.474 -26.096 562 1HD2 LEU 74 2HD2 LEU 74 -6.805 4.625 -26.028 563 2HD2 LEU 74 3HD2 LEU 74 -5.996 4.379 -24.463 564 3HD2 LEU 74 1HD2 LEU 74 -5.587 5.794 -25.463 565 H SER 75 H SER 75 -4.541 0.688 -25.347 566 HA SER 75 HA SER 75 -2.043 1.590 -24.576 567 1HB SER 75 1HB SER 75 -2.968 -1.027 -23.475 568 2HB SER 75 2HB SER 75 -2.444 0.417 -22.630 569 HG SER 75 HG SER 75 -4.584 1.358 -23.498 570 H LYS 76 H LYS 76 -3.123 -1.230 -26.468 571 HA LYS 76 HA LYS 76 -0.852 -2.810 -26.229 572 1HB LYS 76 1HB LYS 76 -1.854 -4.136 -27.776 573 2HB LYS 76 2HB LYS 76 -3.244 -3.160 -27.345 574 1HG LYS 76 1HG LYS 76 -3.368 -2.835 -29.620 575 2HG LYS 76 2HG LYS 76 -2.211 -1.561 -29.285 576 1HD LYS 76 1HD LYS 76 -0.659 -2.602 -30.565 577 2HD LYS 76 2HD LYS 76 -0.730 -4.018 -29.535 578 1HE LYS 76 1HE LYS 76 -2.849 -4.706 -30.848 579 2HE LYS 76 2HE LYS 76 -2.454 -3.428 -31.980 580 1HZ LYS 76 3HZ LYS 76 -0.175 -4.962 -31.471 581 2HZ LYS 76 1HZ LYS 76 -1.397 -5.958 -31.895 582 3HZ LYS 76 2HZ LYS 76 -0.959 -4.738 -32.887 583 H THR 77 H THR 77 -1.329 0.283 -27.737 584 HA THR 77 HA THR 77 0.969 -0.075 -29.497 585 HB THR 77 HB THR 77 0.153 1.881 -30.568 586 HG1 THR 77 HG1 THR 77 -1.455 2.402 -28.192 587 1HG2 THR 77 3HG2 THR 77 -1.673 0.020 -30.453 588 2HG2 THR 77 1HG2 THR 77 -2.416 1.008 -29.172 589 3HG2 THR 77 2HG2 THR 77 -2.231 1.671 -30.813 590 H PHE 78 H PHE 78 0.137 1.154 -26.325 591 HA PHE 78 HA PHE 78 2.549 2.759 -26.226 592 1HB PHE 78 1HB PHE 78 0.127 2.132 -24.475 593 2HB PHE 78 2HB PHE 78 1.526 2.881 -23.733 594 HD1 PHE 78 HD1 PHE 78 1.307 5.145 -23.438 595 HD2 PHE 78 HD2 PHE 78 -0.413 3.385 -26.896 596 HE1 PHE 78 HE1 PHE 78 0.493 7.399 -24.182 597 HE2 PHE 78 HE2 PHE 78 -1.227 5.639 -27.640 598 HZ PHE 78 HZ PHE 78 -0.765 7.620 -26.274 599 H ILE 79 H ILE 79 1.751 -0.509 -25.894 600 HA ILE 79 HA ILE 79 3.045 -1.249 -23.554 601 HB ILE 79 HB ILE 79 2.230 -2.561 -26.086 602 1HG1 ILE 79 1HG1 ILE 79 1.624 -2.758 -23.160 603 2HG1 ILE 79 2HG1 ILE 79 0.533 -2.579 -24.519 604 1HG2 ILE 79 3HG2 ILE 79 4.580 -3.354 -25.634 605 2HG2 ILE 79 1HG2 ILE 79 3.978 -4.027 -24.101 606 3HG2 ILE 79 2HG2 ILE 79 3.329 -4.620 -25.648 607 1HD1 ILE 79 1HD1 ILE 79 1.132 -4.928 -25.250 608 2HD1 ILE 79 2HD1 ILE 79 2.087 -5.092 -23.757 609 3HD1 ILE 79 3HD1 ILE 79 0.327 -4.851 -23.665 610 H ILE 80 H ILE 80 5.123 -1.099 -22.917 611 HA ILE 80 HA ILE 80 7.114 -0.722 -25.039 612 HB ILE 80 HB ILE 80 8.350 0.045 -22.746 613 1HG1 ILE 80 1HG1 ILE 80 5.520 1.067 -22.441 614 2HG1 ILE 80 2HG1 ILE 80 6.129 -0.310 -21.545 615 1HG2 ILE 80 3HG2 ILE 80 7.890 1.151 -25.102 616 2HG2 ILE 80 1HG2 ILE 80 6.689 2.078 -24.172 617 3HG2 ILE 80 2HG2 ILE 80 8.404 2.120 -23.701 618 1HD1 ILE 80 2HD1 ILE 80 8.060 1.860 -21.398 619 2HD1 ILE 80 3HD1 ILE 80 6.452 2.440 -20.905 620 3HD1 ILE 80 1HD1 ILE 80 7.188 1.048 -20.076 621 H GLY 81 H GLY 81 5.951 -2.803 -22.481 622 1HA GLY 81 2HA GLY 81 8.238 -4.131 -21.680 623 2HA GLY 81 1HA GLY 81 7.777 -4.863 -23.203 624 H GLU 82 H GLU 82 7.739 -6.121 -20.543 625 HA GLU 82 HA GLU 82 4.971 -6.213 -19.825 626 1HB GLU 82 1HB GLU 82 6.103 -8.903 -20.511 627 2HB GLU 82 2HB GLU 82 4.440 -8.352 -20.554 628 1HG GLU 82 1HG GLU 82 4.887 -7.031 -22.597 629 2HG GLU 82 2HG GLU 82 6.590 -7.445 -22.526 630 H LEU 83 H LEU 83 4.623 -7.364 -17.779 631 HA LEU 83 HA LEU 83 6.772 -7.055 -16.012 632 1HB LEU 83 1HB LEU 83 4.381 -6.849 -15.445 633 2HB LEU 83 2HB LEU 83 4.186 -8.577 -15.663 634 HG LEU 83 HG LEU 83 4.853 -9.001 -13.585 635 1HD1 LEU 83 1HD1 LEU 83 7.238 -7.278 -14.250 636 2HD1 LEU 83 2HD1 LEU 83 7.008 -7.997 -12.640 637 3HD1 LEU 83 3HD1 LEU 83 7.146 -9.045 -14.071 638 1HD2 LEU 83 1HD2 LEU 83 4.095 -6.238 -13.618 639 2HD2 LEU 83 2HD2 LEU 83 3.884 -7.452 -12.333 640 3HD2 LEU 83 3HD2 LEU 83 5.374 -6.480 -12.403 641 H HIS 84 H HIS 84 8.529 -8.305 -15.708 642 HA HIS 84 HA HIS 84 8.835 -10.721 -17.067 643 1HB HIS 84 1HB HIS 84 10.432 -8.924 -15.578 644 2HB HIS 84 2HB HIS 84 10.622 -10.487 -14.808 645 HD1 HIS 84 HD1 HIS 84 13.153 -9.833 -15.932 646 HD2 HIS 84 HD2 HIS 84 10.118 -11.278 -18.443 647 HE1 HIS 84 HE1 HIS 84 14.314 -10.703 -18.032 648 HE2 HIS 84 HE2 HIS 84 12.404 -11.629 -19.512 649 HA PRO 85 HA PRO 85 7.568 -13.717 -14.186 650 1HB PRO 85 1HB PRO 85 9.658 -15.420 -13.737 651 2HB PRO 85 2HB PRO 85 8.679 -15.465 -15.190 652 1HG PRO 85 1HG PRO 85 11.422 -14.423 -14.837 653 2HG PRO 85 2HG PRO 85 10.600 -14.866 -16.319 654 1HD PRO 85 1HD PRO 85 11.062 -12.210 -15.342 655 2HD PRO 85 2HD PRO 85 10.139 -12.659 -16.763 656 H ASP 86 H ASP 86 9.283 -11.305 -13.135 657 HA ASP 86 HA ASP 86 10.110 -12.300 -10.633 658 1HB ASP 86 1HB ASP 86 11.270 -10.361 -11.065 659 2HB ASP 86 2HB ASP 86 9.983 -9.691 -12.048 660 H ASP 87 H ASP 87 7.135 -11.014 -12.062 661 HA ASP 87 HA ASP 87 5.658 -11.732 -9.789 662 1HB ASP 87 1HB ASP 87 6.161 -8.789 -10.350 663 2HB ASP 87 2HB ASP 87 4.667 -9.300 -9.590 664 H ARG 88 H ARG 88 5.006 -12.883 -11.941 665 HA ARG 88 HA ARG 88 3.624 -11.232 -13.805 666 1HB ARG 88 1HB ARG 88 3.769 -14.284 -13.608 667 2HB ARG 88 2HB ARG 88 3.184 -13.385 -14.993 668 1HG ARG 88 1HG ARG 88 5.931 -12.680 -13.991 669 2HG ARG 88 2HG ARG 88 5.755 -14.240 -14.771 670 1HD ARG 88 1HD ARG 88 4.772 -11.635 -16.027 671 2HD ARG 88 2HD ARG 88 6.365 -12.300 -16.328 672 HE ARG 88 HE ARG 88 4.153 -14.190 -16.782 673 1HH1 ARG 88 2HH1 ARG 88 3.853 -14.948 -18.919 674 2HH1 ARG 88 1HH1 ARG 88 4.661 -14.167 -20.235 675 1HH2 ARG 88 2HH2 ARG 88 6.274 -11.775 -18.214 676 2HH2 ARG 88 1HH2 ARG 88 6.047 -12.349 -19.832 677 H SER 89 H SER 89 2.605 -14.278 -12.081 678 HA SER 89 HA SER 89 -0.095 -13.684 -12.324 679 1HB SER 89 1HB SER 89 1.324 -15.903 -11.667 680 2HB SER 89 2HB SER 89 0.825 -15.423 -10.058 681 HG SER 89 HG SER 89 -1.300 -15.756 -10.552 682 H LYS 90 H LYS 90 2.310 -12.275 -10.362 683 HA LYS 90 HA LYS 90 0.746 -11.858 -8.018 684 1HB LYS 90 1HB LYS 90 3.440 -11.159 -9.010 685 2HB LYS 90 2HB LYS 90 2.727 -9.968 -7.940 686 1HG LYS 90 1HG LYS 90 2.597 -12.902 -7.192 687 2HG LYS 90 2HG LYS 90 4.087 -12.015 -6.937 688 1HD LYS 90 1HD LYS 90 3.223 -10.806 -5.190 689 2HD LYS 90 2HD LYS 90 1.682 -10.561 -5.989 690 1HE LYS 90 1HE LYS 90 1.904 -13.370 -5.362 691 2HE LYS 90 2HE LYS 90 2.344 -12.470 -3.925 692 1HZ LYS 90 3HZ LYS 90 0.179 -11.169 -4.898 693 2HZ LYS 90 1HZ LYS 90 -0.189 -12.741 -5.145 694 3HZ LYS 90 2HZ LYS 90 0.183 -12.216 -3.644 695 H ILE 91 H ILE 91 0.730 -10.571 -11.208 696 HA ILE 91 HA ILE 91 -0.925 -8.354 -10.244 697 HB ILE 91 HB ILE 91 0.112 -6.779 -11.519 698 1HG1 ILE 91 1HG1 ILE 91 1.323 -8.971 -13.229 699 2HG1 ILE 91 2HG1 ILE 91 -0.051 -7.971 -13.653 700 1HG2 ILE 91 2HG2 ILE 91 1.643 -7.962 -9.737 701 2HG2 ILE 91 3HG2 ILE 91 2.593 -8.420 -11.171 702 3HG2 ILE 91 1HG2 ILE 91 2.294 -6.703 -10.811 703 1HD1 ILE 91 3HD1 ILE 91 2.289 -6.380 -12.805 704 2HD1 ILE 91 1HD1 ILE 91 2.603 -7.387 -14.237 705 3HD1 ILE 91 2HD1 ILE 91 1.268 -6.213 -14.252 706 H THR 92 H THR 92 -0.013 -10.652 -12.854 707 HA THR 92 HA THR 92 -1.661 -10.246 -14.844 708 HB THR 92 HB THR 92 -0.254 -12.380 -13.972 709 HG1 THR 92 HG1 THR 92 -2.627 -12.361 -15.704 710 1HG2 THR 92 3HG2 THR 92 -2.279 -12.970 -12.400 711 2HG2 THR 92 1HG2 THR 92 -3.118 -13.415 -13.905 712 3HG2 THR 92 2HG2 THR 92 -1.625 -14.263 -13.433 713 H LYS 93 H LYS 93 -3.769 -10.042 -15.398 714 HA LYS 93 HA LYS 93 -5.617 -9.436 -13.428 715 1HB LYS 93 1HB LYS 93 -5.888 -8.547 -15.615 716 2HB LYS 93 2HB LYS 93 -5.885 -10.134 -16.356 717 1HG LYS 93 1HG LYS 93 -7.969 -10.185 -14.401 718 2HG LYS 93 2HG LYS 93 -8.124 -8.649 -15.229 719 1HD LYS 93 1HD LYS 93 -8.539 -9.643 -17.312 720 2HD LYS 93 2HD LYS 93 -7.658 -11.106 -16.914 721 1HE LYS 93 1HE LYS 93 -9.606 -11.375 -15.080 722 2HE LYS 93 2HE LYS 93 -10.484 -10.334 -16.183 723 1HZ LYS 93 2HZ LYS 93 -9.128 -12.801 -17.018 724 2HZ LYS 93 3HZ LYS 93 -10.715 -12.716 -16.644 725 3HZ LYS 93 1HZ LYS 93 -10.131 -11.883 -17.922 726 HA PRO 94 HA PRO 94 -6.497 -13.558 -12.210 727 1HB PRO 94 1HB PRO 94 -7.786 -12.928 -9.883 728 2HB PRO 94 2HB PRO 94 -6.050 -13.133 -9.992 729 1HG PRO 94 1HG PRO 94 -7.612 -10.633 -9.764 730 2HG PRO 94 2HG PRO 94 -5.908 -10.896 -9.449 731 1HD PRO 94 1HD PRO 94 -7.053 -9.646 -11.763 732 2HD PRO 94 2HD PRO 94 -5.360 -10.012 -11.500 733 H SER 95 H SER 95 -9.029 -11.176 -11.537 734 HA SER 95 HA SER 95 -10.697 -12.034 -13.513 735 1HB SER 95 1HB SER 95 -10.549 -14.046 -11.589 736 2HB SER 95 2HB SER 95 -11.987 -13.172 -11.105 737 HG SER 95 HG SER 95 -13.023 -14.112 -12.714 738 H GLU 96 H GLU 96 -13.086 -11.280 -13.023 739 HA GLU 96 HA GLU 96 -12.810 -8.817 -11.549 740 1HB GLU 96 1HB GLU 96 -14.112 -9.560 -13.944 741 2HB GLU 96 2HB GLU 96 -15.416 -9.254 -12.813 742 1HG GLU 96 1HG GLU 96 -14.217 -7.050 -12.213 743 2HG GLU 96 2HG GLU 96 -13.163 -7.348 -13.583 744 H SER 97 H SER 97 -14.720 -8.085 -10.154 745 HA SER 97 HA SER 97 -15.811 -10.418 -8.782 746 1HB SER 97 1HB SER 97 -15.762 -8.984 -6.694 747 2HB SER 97 2HB SER 97 -14.181 -9.416 -7.317 748 HG SER 97 HG SER 97 -14.876 -7.010 -6.719 749 H ILE 98 H ILE 98 -18.037 -10.370 -8.286 750 HA ILE 98 HA ILE 98 -19.439 -7.932 -9.141 751 HB ILE 98 HB ILE 98 -21.281 -9.424 -9.852 752 1HG1 ILE 98 1HG1 ILE 98 -19.318 -11.713 -9.740 753 2HG1 ILE 98 2HG1 ILE 98 -20.391 -11.370 -8.398 754 1HG2 ILE 98 2HG2 ILE 98 -19.257 -8.522 -11.286 755 2HG2 ILE 98 3HG2 ILE 98 -18.884 -10.255 -11.432 756 3HG2 ILE 98 1HG2 ILE 98 -20.461 -9.636 -11.976 757 1HD1 ILE 98 3HD1 ILE 98 -21.343 -11.777 -11.269 758 2HD1 ILE 98 1HD1 ILE 98 -21.326 -13.052 -10.027 759 3HD1 ILE 98 2HD1 ILE 98 -22.366 -11.622 -9.820 760 H ILE 99 H ILE 99 -21.613 -7.665 -8.061 761 HA ILE 99 HA ILE 99 -21.633 -8.924 -5.416 762 HB ILE 99 HB ILE 99 -22.286 -6.732 -4.457 763 1HG1 ILE 99 1HG1 ILE 99 -21.079 -5.057 -6.475 764 2HG1 ILE 99 2HG1 ILE 99 -22.422 -5.944 -7.171 765 1HG2 ILE 99 1HG2 ILE 99 -19.917 -7.766 -4.519 766 2HG2 ILE 99 2HG2 ILE 99 -19.556 -6.483 -5.697 767 3HG2 ILE 99 3HG2 ILE 99 -20.098 -6.057 -4.057 768 1HD1 ILE 99 3HD1 ILE 99 -23.574 -5.225 -4.814 769 2HD1 ILE 99 1HD1 ILE 99 -22.423 -3.881 -5.002 770 3HD1 ILE 99 2HD1 ILE 99 -23.633 -4.202 -6.269 771 H THR 100 H THR 100 -23.906 -8.181 -4.330 772 HA THR 100 HA THR 100 -25.959 -8.386 -6.424 773 HB THR 100 HB THR 100 -25.587 -10.088 -3.909 774 HG1 THR 100 HG1 THR 100 -25.334 -11.660 -5.550 775 1HG2 THR 100 2HG2 THR 100 -28.046 -9.341 -5.367 776 2HG2 THR 100 3HG2 THR 100 -27.731 -11.092 -5.430 777 3HG2 THR 100 1HG2 THR 100 -27.874 -10.270 -3.858 778 H THR 101 H THR 101 -27.890 -7.309 -6.044 779 HA THR 101 HA THR 101 -28.616 -6.247 -3.560 780 HB THR 101 HB THR 101 -26.531 -4.865 -3.968 781 HG1 THR 101 HG1 THR 101 -28.782 -4.192 -3.014 782 1HG2 THR 101 1HG2 THR 101 -28.209 -3.866 -6.330 783 2HG2 THR 101 2HG2 THR 101 -26.784 -3.020 -5.681 784 3HG2 THR 101 3HG2 THR 101 -26.602 -4.626 -6.429 785 H ILE 102 H ILE 102 -30.744 -5.770 -3.608 786 HA ILE 102 HA ILE 102 -32.216 -6.328 -5.880 787 HB ILE 102 HB ILE 102 -34.100 -5.389 -4.645 788 1HG1 ILE 102 1HG1 ILE 102 -33.455 -4.598 -2.220 789 2HG1 ILE 102 2HG1 ILE 102 -31.926 -4.175 -2.965 790 1HG2 ILE 102 1HG2 ILE 102 -32.205 -7.356 -3.542 791 2HG2 ILE 102 2HG2 ILE 102 -33.377 -6.705 -2.371 792 3HG2 ILE 102 3HG2 ILE 102 -33.952 -7.486 -3.864 793 1HD1 ILE 102 2HD1 ILE 102 -33.924 -3.244 -4.762 794 2HD1 ILE 102 3HD1 ILE 102 -34.475 -2.792 -3.130 795 3HD1 ILE 102 1HD1 ILE 102 -32.879 -2.262 -3.709 796 H ASP 103 H ASP 103 -33.805 -4.715 -6.947 797 HA ASP 103 HA ASP 103 -33.257 -2.039 -7.035 798 1HB ASP 103 1HB ASP 103 -32.090 -1.855 -9.251 799 2HB ASP 103 2HB ASP 103 -31.080 -2.551 -7.998 800 H SER 104 H SER 104 -34.413 -1.015 -9.022 801 HA SER 104 HA SER 104 -36.213 -2.947 -10.247 802 1HB SER 104 1HB SER 104 -37.315 -1.695 -8.337 803 2HB SER 104 2HB SER 104 -37.044 -0.202 -9.212 804 HG SER 104 HG SER 104 -38.282 -2.189 -10.756 No H/Q in entry = 804 Start of MODEL 35 1 H ALA 1 H ALA 1 28.367 -1.450 -38.501 2 HA ALA 1 HA ALA 1 30.035 -0.208 -36.427 3 1HB ALA 1 3HB ALA 1 31.098 0.006 -38.665 4 2HB ALA 1 2HB ALA 1 30.581 1.580 -38.016 5 3HB ALA 1 1HB ALA 1 29.616 0.777 -39.279 6 H GLU 2 H GLU 2 27.468 -0.910 -35.820 7 HA GLU 2 HA GLU 2 26.336 1.580 -35.294 8 1HB GLU 2 1HB GLU 2 25.721 1.071 -37.816 9 2HB GLU 2 2HB GLU 2 24.546 -0.032 -37.125 10 1HG GLU 2 1HG GLU 2 23.173 1.670 -36.493 11 2HG GLU 2 2HG GLU 2 24.486 2.546 -35.732 12 H GLU 3 H GLU 3 23.991 1.214 -34.287 13 HA GLU 3 HA GLU 3 23.209 -1.315 -33.551 14 1HB GLU 3 1HB GLU 3 25.473 -0.339 -32.008 15 2HB GLU 3 2HB GLU 3 24.079 -0.504 -30.959 16 1HG GLU 3 1HG GLU 3 23.766 -2.848 -32.133 17 2HG GLU 3 2HG GLU 3 25.432 -2.640 -32.638 18 H SER 4 H SER 4 21.392 -1.249 -31.962 19 HA SER 4 HA SER 4 20.593 0.995 -30.651 20 1HB SER 4 1HB SER 4 20.246 1.335 -33.463 21 2HB SER 4 2HB SER 4 18.644 1.068 -32.807 22 HG SER 4 HG SER 4 20.459 2.933 -31.567 23 H SER 5 H SER 5 18.409 0.711 -29.701 24 HA SER 5 HA SER 5 16.641 -1.216 -30.460 25 1HB SER 5 1HB SER 5 18.969 -2.321 -29.041 26 2HB SER 5 2HB SER 5 17.470 -2.682 -28.209 27 HG SER 5 HG SER 5 16.685 -3.349 -30.469 28 H LYS 6 H LYS 6 14.866 -1.425 -28.875 29 HA LYS 6 HA LYS 6 15.033 -0.387 -26.291 30 1HB LYS 6 1HB LYS 6 15.178 1.681 -28.070 31 2HB LYS 6 2HB LYS 6 13.447 1.584 -27.820 32 1HG LYS 6 1HG LYS 6 13.591 2.135 -25.560 33 2HG LYS 6 2HG LYS 6 15.174 1.407 -25.366 34 1HD LYS 6 1HD LYS 6 15.839 3.406 -27.094 35 2HD LYS 6 2HD LYS 6 14.452 4.157 -26.330 36 1HE LYS 6 1HE LYS 6 15.441 3.929 -24.114 37 2HE LYS 6 2HE LYS 6 16.722 2.902 -24.725 38 1HZ LYS 6 1HZ LYS 6 16.317 5.703 -25.517 39 2HZ LYS 6 2HZ LYS 6 17.423 5.187 -24.431 40 3HZ LYS 6 3HZ LYS 6 17.547 4.739 -25.997 41 H ALA 7 H ALA 7 13.745 -2.037 -25.581 42 HA ALA 7 HA ALA 7 11.009 -1.864 -25.827 43 1HB ALA 7 3HB ALA 7 10.705 -4.015 -27.258 44 2HB ALA 7 2HB ALA 7 12.333 -3.651 -27.878 45 3HB ALA 7 1HB ALA 7 11.014 -2.477 -28.100 46 H VAL 8 H VAL 8 11.964 -2.093 -23.554 47 HA VAL 8 HA VAL 8 13.243 -4.071 -22.423 48 HB VAL 8 HB VAL 8 12.438 -2.953 -20.700 49 1HG1 VAL 8 1HG1 VAL 8 10.310 -2.107 -22.656 50 2HG1 VAL 8 2HG1 VAL 8 10.176 -1.668 -20.936 51 3HG1 VAL 8 3HG1 VAL 8 11.589 -1.140 -21.881 52 1HG2 VAL 8 3HG2 VAL 8 11.152 -5.153 -20.494 53 2HG2 VAL 8 1HG2 VAL 8 10.537 -3.772 -19.556 54 3HG2 VAL 8 2HG2 VAL 8 9.729 -4.252 -21.068 55 H LYS 9 H LYS 9 9.683 -4.401 -23.104 56 HA LYS 9 HA LYS 9 8.571 -6.167 -23.911 57 1HB LYS 9 1HB LYS 9 11.093 -6.821 -24.755 58 2HB LYS 9 2HB LYS 9 10.722 -8.182 -23.716 59 1HG LYS 9 1HG LYS 9 8.524 -8.468 -24.936 60 2HG LYS 9 2HG LYS 9 8.984 -7.166 -26.014 61 1HD LYS 9 1HD LYS 9 11.018 -8.463 -26.703 62 2HD LYS 9 2HD LYS 9 10.539 -9.769 -25.638 63 1HE LYS 9 1HE LYS 9 8.275 -9.753 -26.963 64 2HE LYS 9 2HE LYS 9 9.135 -8.797 -28.153 65 1HZ LYS 9 3HZ LYS 9 10.567 -11.110 -27.295 66 2HZ LYS 9 1HZ LYS 9 9.153 -11.463 -28.032 67 3HZ LYS 9 2HZ LYS 9 10.277 -10.567 -28.808 68 H TYR 10 H TYR 10 10.980 -6.912 -21.314 69 HA TYR 10 HA TYR 10 8.721 -7.855 -19.698 70 1HB TYR 10 1HB TYR 10 11.066 -9.342 -19.021 71 2HB TYR 10 2HB TYR 10 9.670 -9.971 -19.873 72 HD1 TYR 10 HD1 TYR 10 10.061 -11.017 -21.902 73 HD2 TYR 10 HD2 TYR 10 12.731 -7.923 -20.635 74 HE1 TYR 10 HE1 TYR 10 11.500 -11.406 -23.962 75 HE2 TYR 10 HE2 TYR 10 14.162 -8.324 -22.699 76 HH TYR 10 HH TYR 10 14.428 -10.674 -24.276 77 H TYR 11 H TYR 11 8.665 -6.880 -17.733 78 HA TYR 11 HA TYR 11 11.209 -5.914 -16.640 79 1HB TYR 11 1HB TYR 11 8.884 -4.459 -17.687 80 2HB TYR 11 2HB TYR 11 8.975 -4.183 -15.960 81 HD1 TYR 11 HD1 TYR 11 9.382 -2.187 -18.319 82 HD2 TYR 11 HD2 TYR 11 12.094 -4.390 -15.852 83 HE1 TYR 11 HE1 TYR 11 11.171 -0.419 -18.693 84 HE2 TYR 11 HE2 TYR 11 13.874 -2.615 -16.234 85 HH TYR 11 HH TYR 11 13.587 -0.269 -18.650 86 H THR 12 H THR 12 10.853 -5.201 -14.244 87 HA THR 12 HA THR 12 9.102 -7.221 -13.011 88 HB THR 12 HB THR 12 10.756 -7.262 -11.212 89 HG1 THR 12 HG1 THR 12 12.114 -5.205 -12.785 90 1HG2 THR 12 2HG2 THR 12 11.453 -8.416 -13.413 91 2HG2 THR 12 3HG2 THR 12 12.383 -6.944 -13.780 92 3HG2 THR 12 1HG2 THR 12 12.796 -7.924 -12.353 93 H LEU 13 H LEU 13 7.916 -6.675 -11.099 94 HA LEU 13 HA LEU 13 6.452 -4.405 -11.279 95 1HB LEU 13 1HB LEU 13 6.983 -6.446 -9.243 96 2HB LEU 13 2HB LEU 13 6.456 -4.913 -8.578 97 HG LEU 13 HG LEU 13 4.987 -6.709 -10.510 98 1HD1 LEU 13 1HD1 LEU 13 5.007 -6.605 -7.751 99 2HD1 LEU 13 2HD1 LEU 13 3.563 -5.658 -8.186 100 3HD1 LEU 13 3HD1 LEU 13 3.740 -7.329 -8.769 101 1HD2 LEU 13 3HD2 LEU 13 4.741 -3.787 -10.144 102 2HD2 LEU 13 1HD2 LEU 13 4.264 -4.826 -11.508 103 3HD2 LEU 13 2HD2 LEU 13 3.217 -4.703 -10.075 104 H GLU 14 H GLU 14 9.615 -4.872 -9.660 105 HA GLU 14 HA GLU 14 9.610 -2.414 -8.359 106 1HB GLU 14 1HB GLU 14 11.386 -4.648 -8.700 107 2HB GLU 14 2HB GLU 14 12.300 -3.195 -9.057 108 1HG GLU 14 1HG GLU 14 12.567 -3.257 -6.748 109 2HG GLU 14 2HG GLU 14 11.119 -2.273 -6.846 110 H GLU 15 H GLU 15 11.126 -3.477 -11.488 111 HA GLU 15 HA GLU 15 12.284 -1.131 -12.171 112 1HB GLU 15 1HB GLU 15 11.005 -3.323 -13.832 113 2HB GLU 15 2HB GLU 15 11.750 -1.940 -14.609 114 1HG GLU 15 1HG GLU 15 13.264 -3.495 -12.484 115 2HG GLU 15 2HG GLU 15 13.202 -4.089 -14.131 116 H ILE 16 H ILE 16 8.842 -2.101 -12.451 117 HA ILE 16 HA ILE 16 8.145 0.261 -13.917 118 HB ILE 16 HB ILE 16 6.295 -1.649 -12.501 119 1HG1 ILE 16 1HG1 ILE 16 6.813 -2.168 -15.345 120 2HG1 ILE 16 2HG1 ILE 16 8.210 -2.452 -14.326 121 1HG2 ILE 16 2HG2 ILE 16 5.955 0.631 -14.244 122 2HG2 ILE 16 3HG2 ILE 16 5.263 -0.836 -14.978 123 3HG2 ILE 16 1HG2 ILE 16 4.738 -0.319 -13.357 124 1HD1 ILE 16 2HD1 ILE 16 5.940 -3.519 -12.935 125 2HD1 ILE 16 3HD1 ILE 16 5.849 -4.080 -14.621 126 3HD1 ILE 16 1HD1 ILE 16 7.304 -4.410 -13.651 127 H GLN 17 H GLN 17 8.255 -0.823 -10.520 128 HA GLN 17 HA GLN 17 6.662 1.230 -9.518 129 1HB GLN 17 1HB GLN 17 7.683 -1.026 -8.460 130 2HB GLN 17 2HB GLN 17 8.899 0.085 -7.864 131 1HG GLN 17 1HG GLN 17 6.373 1.355 -7.420 132 2HG GLN 17 2HG GLN 17 6.177 -0.313 -6.918 133 1HE2 GLN 17 1HE2 GLN 17 5.929 1.285 -4.947 134 2HE2 GLN 17 2HE2 GLN 17 7.323 1.408 -3.927 135 H LYS 18 H LYS 18 10.147 0.964 -10.297 136 HA LYS 18 HA LYS 18 10.894 3.353 -8.984 137 1HB LYS 18 1HB LYS 18 12.269 1.878 -11.249 138 2HB LYS 18 2HB LYS 18 12.995 3.086 -10.209 139 1HG LYS 18 1HG LYS 18 11.680 0.659 -8.961 140 2HG LYS 18 2HG LYS 18 13.279 0.501 -9.659 141 1HD LYS 18 1HD LYS 18 12.483 2.512 -7.500 142 2HD LYS 18 2HD LYS 18 13.392 1.038 -7.229 143 1HE LYS 18 1HE LYS 18 15.324 2.101 -7.755 144 2HE LYS 18 2HE LYS 18 14.706 2.491 -9.347 145 1HZ LYS 18 1HZ LYS 18 13.566 4.389 -8.308 146 2HZ LYS 18 2HZ LYS 18 14.318 4.059 -6.897 147 3HZ LYS 18 3HZ LYS 18 15.194 4.485 -8.206 148 H HIS 19 H HIS 19 9.497 2.547 -12.151 149 HA HIS 19 HA HIS 19 9.983 5.239 -13.095 150 1HB HIS 19 1HB HIS 19 8.959 2.690 -14.309 151 2HB HIS 19 2HB HIS 19 8.593 4.218 -15.087 152 HD1 HIS 19 HD1 HIS 19 10.185 4.588 -16.965 153 HD2 HIS 19 HD2 HIS 19 12.059 2.825 -13.650 154 HE1 HIS 19 HE1 HIS 19 12.646 4.332 -17.587 155 HE2 HIS 19 HE2 HIS 19 13.756 3.293 -15.492 156 H ASN 20 H ASN 20 8.729 6.500 -11.632 157 HA ASN 20 HA ASN 20 5.878 6.183 -12.115 158 1HB ASN 20 1HB ASN 20 6.070 5.416 -9.860 159 2HB ASN 20 2HB ASN 20 7.344 6.557 -9.479 160 1HD2 ASN 20 1HD2 ASN 20 4.120 6.838 -10.972 161 2HD2 ASN 20 2HD2 ASN 20 3.488 8.048 -9.906 162 H ASN 21 H ASN 21 8.148 7.902 -13.238 163 HA ASN 21 HA ASN 21 7.354 10.495 -12.207 164 1HB ASN 21 1HB ASN 21 9.610 9.810 -14.163 165 2HB ASN 21 2HB ASN 21 9.366 11.352 -13.368 166 1HD2 ASN 21 1HD2 ASN 21 11.271 8.797 -13.358 167 2HD2 ASN 21 2HD2 ASN 21 11.709 8.650 -11.689 168 H SER 22 H SER 22 7.013 12.256 -13.940 169 HA SER 22 HA SER 22 5.275 11.230 -15.924 170 1HB SER 22 1HB SER 22 5.019 13.669 -16.531 171 2HB SER 22 2HB SER 22 4.682 13.308 -14.850 172 HG SER 22 HG SER 22 6.294 14.580 -14.248 173 H LYS 23 H LYS 23 8.417 10.848 -15.893 174 HA LYS 23 HA LYS 23 8.786 11.689 -18.685 175 1HB LYS 23 1HB LYS 23 10.283 12.476 -16.439 176 2HB LYS 23 2HB LYS 23 11.272 11.273 -17.240 177 1HG LYS 23 1HG LYS 23 9.931 13.410 -18.912 178 2HG LYS 23 2HG LYS 23 11.366 13.827 -17.997 179 1HD LYS 23 1HD LYS 23 12.713 12.780 -19.495 180 2HD LYS 23 2HD LYS 23 11.799 11.290 -19.358 181 1HE LYS 23 1HE LYS 23 10.273 11.923 -21.094 182 2HE LYS 23 2HE LYS 23 10.730 13.612 -21.005 183 1HZ LYS 23 2HZ LYS 23 13.051 12.526 -21.588 184 2HZ LYS 23 3HZ LYS 23 12.077 11.434 -22.314 185 3HZ LYS 23 1HZ LYS 23 11.991 13.010 -22.733 186 H SER 24 H SER 24 8.272 9.132 -16.538 187 HA SER 24 HA SER 24 9.047 7.290 -18.580 188 1HB SER 24 1HB SER 24 10.869 7.780 -16.484 189 2HB SER 24 2HB SER 24 10.066 6.296 -16.014 190 HG SER 24 HG SER 24 11.307 6.775 -18.589 191 H THR 25 H THR 25 6.646 8.396 -17.016 192 HA THR 25 HA THR 25 5.598 6.801 -15.130 193 HB THR 25 HB THR 25 3.820 7.460 -17.464 194 HG1 THR 25 HG1 THR 25 5.422 9.307 -15.835 195 1HG2 THR 25 3HG2 THR 25 3.884 7.909 -14.457 196 2HG2 THR 25 1HG2 THR 25 2.845 8.924 -15.488 197 3HG2 THR 25 2HG2 THR 25 2.603 7.162 -15.442 198 H TRP 26 H TRP 26 5.929 4.654 -14.924 199 HA TRP 26 HA TRP 26 5.129 3.020 -17.236 200 1HB TRP 26 1HB TRP 26 7.259 2.561 -15.150 201 2HB TRP 26 2HB TRP 26 6.633 1.279 -16.167 202 HD1 TRP 26 HD1 TRP 26 6.636 4.089 -18.452 203 HE1 TRP 26 HE1 TRP 26 8.800 4.295 -19.950 204 HE3 TRP 26 HE3 TRP 26 9.505 0.949 -15.663 205 HZ2 TRP 26 HZ2 TRP 26 11.409 3.149 -19.804 206 HZ3 TRP 26 HZ3 TRP 26 11.849 0.547 -16.410 207 HH2 TRP 26 HH2 TRP 26 12.810 1.589 -18.403 208 H LEU 27 H LEU 27 3.553 1.445 -16.857 209 HA LEU 27 HA LEU 27 2.830 0.868 -14.111 210 1HB LEU 27 1HB LEU 27 0.729 1.715 -14.116 211 2HB LEU 27 2HB LEU 27 1.567 2.942 -15.047 212 HG LEU 27 HG LEU 27 -0.370 2.649 -16.260 213 1HD1 LEU 27 3HD1 LEU 27 1.864 2.117 -17.538 214 2HD1 LEU 27 1HD1 LEU 27 1.136 0.501 -17.705 215 3HD1 LEU 27 2HD1 LEU 27 0.286 1.930 -18.340 216 1HD2 LEU 27 2HD2 LEU 27 -0.615 0.260 -14.869 217 2HD2 LEU 27 3HD2 LEU 27 -1.769 0.932 -16.046 218 3HD2 LEU 27 1HD2 LEU 27 -0.541 -0.242 -16.576 219 H ILE 28 H ILE 28 0.984 -0.878 -14.155 220 HA ILE 28 HA ILE 28 1.640 -2.692 -16.369 221 HB ILE 28 HB ILE 28 0.537 -3.777 -13.854 222 1HG1 ILE 28 1HG1 ILE 28 2.266 -1.893 -13.289 223 2HG1 ILE 28 2HG1 ILE 28 2.339 -3.442 -12.472 224 1HG2 ILE 28 2HG2 ILE 28 2.488 -4.570 -15.984 225 2HG2 ILE 28 3HG2 ILE 28 2.565 -5.356 -14.389 226 3HG2 ILE 28 1HG2 ILE 28 1.069 -5.436 -15.350 227 1HD1 ILE 28 2HD1 ILE 28 3.886 -3.106 -15.043 228 2HD1 ILE 28 3HD1 ILE 28 4.526 -2.383 -13.546 229 3HD1 ILE 28 1HD1 ILE 28 4.243 -4.138 -13.637 230 H LEU 29 H LEU 29 -0.004 -3.534 -17.604 231 HA LEU 29 HA LEU 29 -2.729 -3.005 -16.673 232 1HB LEU 29 1HB LEU 29 -1.483 -1.486 -18.606 233 2HB LEU 29 2HB LEU 29 -2.341 -2.683 -19.557 234 HG LEU 29 HG LEU 29 -3.418 -0.532 -17.775 235 1HD1 LEU 29 3HD1 LEU 29 -3.214 -0.254 -20.240 236 2HD1 LEU 29 1HD1 LEU 29 -4.371 -1.591 -20.448 237 3HD1 LEU 29 2HD1 LEU 29 -4.878 -0.093 -19.630 238 1HD2 LEU 29 1HD2 LEU 29 -4.400 -3.254 -17.752 239 2HD2 LEU 29 2HD2 LEU 29 -4.913 -1.847 -16.791 240 3HD2 LEU 29 3HD2 LEU 29 -5.628 -2.136 -18.395 241 H HIS 30 H HIS 30 -3.730 -4.929 -16.484 242 HA HIS 30 HA HIS 30 -4.476 -6.933 -17.003 243 1HB HIS 30 1HB HIS 30 -3.070 -7.186 -19.608 244 2HB HIS 30 2HB HIS 30 -4.719 -7.586 -19.173 245 HD1 HIS 30 HD1 HIS 30 -3.165 -5.471 -21.416 246 HD2 HIS 30 HD2 HIS 30 -6.008 -4.750 -18.418 247 HE1 HIS 30 HE1 HIS 30 -4.328 -3.289 -22.044 248 HE2 HIS 30 HE2 HIS 30 -6.101 -2.926 -20.193 249 H TYR 31 H TYR 31 -1.166 -6.746 -18.510 250 HA TYR 31 HA TYR 31 0.039 -8.206 -16.427 251 1HB TYR 31 1HB TYR 31 0.423 -10.284 -17.906 252 2HB TYR 31 2HB TYR 31 -1.240 -10.090 -17.390 253 HD1 TYR 31 HD1 TYR 31 -2.915 -9.059 -19.019 254 HD2 TYR 31 HD2 TYR 31 0.992 -10.337 -20.209 255 HE1 TYR 31 HE1 TYR 31 -3.669 -9.125 -21.445 256 HE2 TYR 31 HE2 TYR 31 0.224 -10.399 -22.632 257 HH TYR 31 HH TYR 31 -1.893 -8.953 -23.888 258 H LYS 32 H LYS 32 0.139 -5.961 -18.682 259 HA LYS 32 HA LYS 32 2.944 -6.523 -19.349 260 1HB LYS 32 1HB LYS 32 1.669 -4.789 -21.287 261 2HB LYS 32 2HB LYS 32 2.581 -6.264 -21.532 262 1HG LYS 32 1HG LYS 32 0.226 -7.269 -20.483 263 2HG LYS 32 2HG LYS 32 -0.367 -5.867 -21.353 264 1HD LYS 32 1HD LYS 32 1.462 -7.984 -22.581 265 2HD LYS 32 2HD LYS 32 -0.283 -7.994 -22.736 266 1HE LYS 32 1HE LYS 32 -0.273 -6.340 -24.318 267 2HE LYS 32 2HE LYS 32 0.895 -5.374 -23.439 268 1HZ LYS 32 2HZ LYS 32 1.788 -7.818 -24.741 269 2HZ LYS 32 3HZ LYS 32 1.540 -6.482 -25.648 270 3HZ LYS 32 1HZ LYS 32 2.624 -6.451 -24.426 271 H VAL 33 H VAL 33 3.984 -4.261 -20.098 272 HA VAL 33 HA VAL 33 3.102 -2.289 -18.103 273 HB VAL 33 HB VAL 33 5.299 -1.836 -17.531 274 1HG1 VAL 33 1HG1 VAL 33 4.411 -4.172 -16.888 275 2HG1 VAL 33 2HG1 VAL 33 5.572 -4.792 -18.084 276 3HG1 VAL 33 3HG1 VAL 33 6.150 -3.853 -16.688 277 1HG2 VAL 33 2HG2 VAL 33 6.013 -3.098 -20.169 278 2HG2 VAL 33 3HG2 VAL 33 6.469 -1.507 -19.511 279 3HG2 VAL 33 1HG2 VAL 33 7.228 -2.985 -18.873 280 H TYR 34 H TYR 34 2.753 -0.224 -18.833 281 HA TYR 34 HA TYR 34 3.552 0.302 -21.616 282 1HB TYR 34 1HB TYR 34 1.112 1.350 -20.063 283 2HB TYR 34 2HB TYR 34 1.367 1.464 -21.793 284 HD1 TYR 34 HD1 TYR 34 1.153 -1.203 -19.151 285 HD2 TYR 34 HD2 TYR 34 0.178 0.001 -23.140 286 HE1 TYR 34 HE1 TYR 34 -0.147 -3.360 -19.492 287 HE2 TYR 34 HE2 TYR 34 -1.118 -2.162 -23.467 288 HH TYR 34 HH TYR 34 -1.659 -4.363 -20.787 289 H ASP 35 H ASP 35 3.858 2.620 -22.138 290 HA ASP 35 HA ASP 35 5.069 3.917 -19.866 291 1HB ASP 35 1HB ASP 35 5.564 3.778 -22.704 292 2HB ASP 35 2HB ASP 35 5.265 5.459 -22.306 293 H LEU 36 H LEU 36 3.207 4.788 -18.744 294 HA LEU 36 HA LEU 36 1.046 6.004 -19.985 295 1HB LEU 36 1HB LEU 36 2.237 6.337 -17.234 296 2HB LEU 36 2HB LEU 36 0.723 7.071 -17.727 297 HG LEU 36 HG LEU 36 1.363 4.146 -17.373 298 1HD1 LEU 36 3HD1 LEU 36 0.171 6.098 -15.741 299 2HD1 LEU 36 1HD1 LEU 36 -1.157 5.059 -16.310 300 3HD1 LEU 36 2HD1 LEU 36 0.239 4.339 -15.471 301 1HD2 LEU 36 1HD2 LEU 36 -0.637 5.374 -19.186 302 2HD2 LEU 36 2HD2 LEU 36 0.175 3.791 -19.262 303 3HD2 LEU 36 3HD2 LEU 36 -1.204 4.034 -18.161 304 H THR 37 H THR 37 4.333 7.118 -19.404 305 HA THR 37 HA THR 37 4.167 9.796 -19.249 306 HB THR 37 HB THR 37 5.975 7.907 -20.805 307 HG1 THR 37 HG1 THR 37 7.347 8.937 -19.009 308 1HG2 THR 37 1HG2 THR 37 5.782 10.491 -21.671 309 2HG2 THR 37 2HG2 THR 37 6.847 10.732 -20.265 310 3HG2 THR 37 3HG2 THR 37 7.338 9.631 -21.574 311 H LYS 38 H LYS 38 3.096 7.809 -21.966 312 HA LYS 38 HA LYS 38 2.888 10.100 -23.702 313 1HB LYS 38 1HB LYS 38 3.497 8.043 -24.736 314 2HB LYS 38 2HB LYS 38 2.181 7.173 -23.975 315 1HG LYS 38 1HG LYS 38 1.156 9.473 -25.471 316 2HG LYS 38 2HG LYS 38 2.141 8.458 -26.505 317 1HD LYS 38 1HD LYS 38 0.794 6.498 -26.025 318 2HD LYS 38 2HD LYS 38 -0.034 7.303 -24.708 319 1HE LYS 38 1HE LYS 38 -0.920 8.989 -26.439 320 2HE LYS 38 2HE LYS 38 -0.269 7.942 -27.685 321 1HZ LYS 38 2HZ LYS 38 -2.206 7.096 -25.642 322 2HZ LYS 38 3HZ LYS 38 -2.576 7.472 -27.187 323 3HZ LYS 38 1HZ LYS 38 -1.641 6.173 -26.865 324 H PHE 39 H PHE 39 0.656 7.843 -21.950 325 HA PHE 39 HA PHE 39 -1.657 9.255 -22.728 326 1HB PHE 39 1HB PHE 39 -0.933 6.849 -21.472 327 2HB PHE 39 2HB PHE 39 -1.595 7.758 -20.128 328 HD1 PHE 39 HD1 PHE 39 -2.468 5.300 -22.204 329 HD2 PHE 39 HD2 PHE 39 -3.840 9.182 -21.174 330 HE1 PHE 39 HE1 PHE 39 -4.790 4.670 -22.921 331 HE2 PHE 39 HE2 PHE 39 -6.162 8.553 -21.892 332 HZ PHE 39 HZ PHE 39 -6.609 6.305 -22.756 333 H LEU 40 H LEU 40 0.878 10.199 -20.719 334 HA LEU 40 HA LEU 40 -0.169 11.167 -18.432 335 1HB LEU 40 1HB LEU 40 2.086 11.722 -20.133 336 2HB LEU 40 2HB LEU 40 1.486 13.214 -19.436 337 HG LEU 40 HG LEU 40 3.322 11.803 -18.215 338 1HD1 LEU 40 2HD1 LEU 40 1.296 13.641 -17.350 339 2HD1 LEU 40 3HD1 LEU 40 1.643 12.483 -16.043 340 3HD1 LEU 40 1HD1 LEU 40 2.964 13.437 -16.761 341 1HD2 LEU 40 3HD2 LEU 40 1.327 9.894 -18.233 342 2HD2 LEU 40 1HD2 LEU 40 2.776 9.895 -17.199 343 3HD2 LEU 40 2HD2 LEU 40 1.242 10.557 -16.584 344 H GLU 41 H GLU 41 0.189 13.361 -21.298 345 HA GLU 41 HA GLU 41 -1.612 15.194 -20.333 346 1HB GLU 41 1HB GLU 41 0.054 14.923 -22.582 347 2HB GLU 41 2HB GLU 41 -1.550 15.069 -23.271 348 1HG GLU 41 1HG GLU 41 -1.852 17.081 -21.610 349 2HG GLU 41 2HG GLU 41 -0.109 17.024 -21.443 350 H GLU 42 H GLU 42 -2.089 12.473 -22.680 351 HA GLU 42 HA GLU 42 -4.694 12.995 -23.300 352 1HB GLU 42 1HB GLU 42 -2.814 10.912 -23.733 353 2HB GLU 42 2HB GLU 42 -4.229 10.124 -23.064 354 1HG GLU 42 1HG GLU 42 -5.664 11.266 -24.777 355 2HG GLU 42 2HG GLU 42 -4.237 12.028 -25.455 356 H HIS 43 H HIS 43 -6.323 10.825 -22.633 357 HA HIS 43 HA HIS 43 -7.427 9.797 -20.987 358 1HB HIS 43 1HB HIS 43 -5.066 10.274 -19.667 359 2HB HIS 43 2HB HIS 43 -6.207 11.159 -18.675 360 HD1 HIS 43 HD1 HIS 43 -4.790 7.885 -19.011 361 HD2 HIS 43 HD2 HIS 43 -8.589 9.356 -18.011 362 HE1 HIS 43 HE1 HIS 43 -5.997 5.988 -17.803 363 HE2 HIS 43 HE2 HIS 43 -8.305 6.969 -17.165 364 HA PRO 44 HA PRO 44 -10.229 13.107 -20.627 365 1HB PRO 44 1HB PRO 44 -12.448 11.662 -19.950 366 2HB PRO 44 2HB PRO 44 -11.915 11.880 -21.605 367 1HG PRO 44 1HG PRO 44 -11.688 9.486 -19.884 368 2HG PRO 44 2HG PRO 44 -11.558 9.601 -21.628 369 1HD PRO 44 1HD PRO 44 -9.398 9.315 -19.762 370 2HD PRO 44 2HD PRO 44 -9.264 9.545 -21.495 371 H GLY 45 H GLY 45 -8.749 11.565 -18.231 372 1HA GLY 45 2HA GLY 45 -9.335 11.492 -15.910 373 2HA GLY 45 1HA GLY 45 -10.386 12.874 -16.150 374 H GLY 46 H GLY 46 -6.969 12.192 -17.192 375 1HA GLY 46 2HA GLY 46 -5.977 14.259 -15.403 376 2HA GLY 46 1HA GLY 46 -5.879 14.623 -17.114 377 H GLU 47 H GLU 47 -3.535 14.421 -15.595 378 HA GLU 47 HA GLU 47 -2.294 12.242 -16.973 379 1HB GLU 47 1HB GLU 47 -1.158 14.446 -15.198 380 2HB GLU 47 2HB GLU 47 -0.177 13.264 -16.040 381 1HG GLU 47 1HG GLU 47 -0.463 14.280 -18.078 382 2HG GLU 47 2HG GLU 47 -2.162 14.605 -17.792 383 H GLU 48 H GLU 48 -2.800 13.342 -13.561 384 HA GLU 48 HA GLU 48 -1.364 11.483 -12.257 385 1HB GLU 48 1HB GLU 48 -3.302 13.385 -11.592 386 2HB GLU 48 2HB GLU 48 -4.017 11.888 -11.027 387 1HG GLU 48 1HG GLU 48 -1.756 11.377 -9.894 388 2HG GLU 48 2HG GLU 48 -1.289 13.023 -10.273 389 H VAL 49 H VAL 49 -4.722 11.127 -13.562 390 HA VAL 49 HA VAL 49 -5.484 8.759 -12.590 391 HB VAL 49 HB VAL 49 -6.639 10.250 -14.243 392 1HG1 VAL 49 1HG1 VAL 49 -4.514 9.913 -15.852 393 2HG1 VAL 49 2HG1 VAL 49 -5.562 8.627 -16.498 394 3HG1 VAL 49 3HG1 VAL 49 -6.137 10.312 -16.464 395 1HG2 VAL 49 3HG2 VAL 49 -6.631 7.245 -14.636 396 2HG2 VAL 49 1HG2 VAL 49 -7.727 8.223 -13.629 397 3HG2 VAL 49 2HG2 VAL 49 -7.819 8.324 -15.404 398 H LEU 50 H LEU 50 -2.777 9.365 -14.794 399 HA LEU 50 HA LEU 50 -2.366 6.466 -14.980 400 1HB LEU 50 1HB LEU 50 -1.144 8.621 -16.701 401 2HB LEU 50 2HB LEU 50 -1.061 6.888 -16.942 402 HG LEU 50 HG LEU 50 -3.821 7.823 -16.838 403 1HD1 LEU 50 1HD1 LEU 50 -1.941 9.486 -18.287 404 2HD1 LEU 50 2HD1 LEU 50 -3.125 8.740 -19.385 405 3HD1 LEU 50 3HD1 LEU 50 -3.684 9.711 -18.001 406 1HD2 LEU 50 3HD2 LEU 50 -2.238 5.822 -18.112 407 2HD2 LEU 50 1HD2 LEU 50 -4.010 5.976 -18.047 408 3HD2 LEU 50 2HD2 LEU 50 -3.099 6.741 -19.371 409 H ARG 51 H ARG 51 -0.812 9.645 -14.270 410 HA ARG 51 HA ARG 51 1.660 8.589 -13.653 411 1HB ARG 51 1HB ARG 51 0.672 11.106 -13.889 412 2HB ARG 51 2HB ARG 51 0.658 10.997 -12.140 413 1HG ARG 51 1HG ARG 51 3.174 9.958 -13.251 414 2HG ARG 51 2HG ARG 51 2.882 11.606 -13.774 415 1HD ARG 51 1HD ARG 51 2.233 11.322 -10.934 416 2HD ARG 51 2HD ARG 51 3.861 10.754 -11.239 417 HE ARG 51 HE ARG 51 3.786 13.125 -12.647 418 1HH1 ARG 51 2HH1 ARG 51 4.318 15.185 -11.813 419 2HH1 ARG 51 1HH1 ARG 51 4.149 15.501 -10.118 420 1HH2 ARG 51 2HH2 ARG 51 2.984 12.272 -9.329 421 2HH2 ARG 51 1HH2 ARG 51 3.387 13.834 -8.696 422 H GLU 52 H GLU 52 -1.211 9.387 -11.585 423 HA GLU 52 HA GLU 52 -0.054 8.786 -9.168 424 1HB GLU 52 1HB GLU 52 -2.623 9.499 -10.147 425 2HB GLU 52 2HB GLU 52 -2.870 8.023 -9.233 426 1HG GLU 52 1HG GLU 52 -1.289 10.395 -8.143 427 2HG GLU 52 2HG GLU 52 -3.012 10.208 -7.890 428 H GLN 53 H GLN 53 -1.187 6.697 -11.769 429 HA GLN 53 HA GLN 53 -1.203 4.410 -10.012 430 1HB GLN 53 1HB GLN 53 -2.040 3.177 -11.977 431 2HB GLN 53 2HB GLN 53 -2.993 4.621 -11.701 432 1HG GLN 53 1HG GLN 53 -1.850 5.821 -13.489 433 2HG GLN 53 2HG GLN 53 -0.648 4.556 -13.651 434 1HE2 GLN 53 1HE2 GLN 53 -3.892 5.571 -14.313 435 2HE2 GLN 53 2HE2 GLN 53 -4.343 4.306 -15.407 436 H ALA 54 H ALA 54 0.827 6.073 -12.368 437 HA ALA 54 HA ALA 54 2.433 4.006 -13.238 438 1HB ALA 54 2HB ALA 54 2.367 6.861 -13.302 439 2HB ALA 54 1HB ALA 54 3.330 5.759 -14.316 440 3HB ALA 54 3HB ALA 54 4.000 6.375 -12.786 441 H GLY 55 H GLY 55 4.005 2.747 -12.321 442 1HA GLY 55 2HA GLY 55 4.945 3.532 -9.629 443 2HA GLY 55 1HA GLY 55 5.880 2.632 -10.806 444 H GLY 56 H GLY 56 3.167 1.199 -11.553 445 1HA GLY 56 2HA GLY 56 2.426 -0.297 -9.248 446 2HA GLY 56 1HA GLY 56 3.599 -1.175 -10.210 447 H ASP 57 H ASP 57 1.254 -2.438 -10.068 448 HA ASP 57 HA ASP 57 0.351 -2.309 -12.748 449 1HB ASP 57 1HB ASP 57 0.280 -4.507 -12.048 450 2HB ASP 57 2HB ASP 57 0.001 -4.072 -10.373 451 H ALA 58 H ALA 58 -1.391 -1.059 -13.452 452 HA ALA 58 HA ALA 58 -3.084 0.145 -11.405 453 1HB ALA 58 2HB ALA 58 -1.789 1.230 -13.539 454 2HB ALA 58 3HB ALA 58 -3.369 0.877 -14.275 455 3HB ALA 58 1HB ALA 58 -3.273 1.915 -12.833 456 H THR 59 H THR 59 -2.995 -2.474 -13.651 457 HA THR 59 HA THR 59 -5.414 -2.707 -14.765 458 HB THR 59 HB THR 59 -4.054 -4.923 -13.151 459 HG1 THR 59 HG1 THR 59 -2.400 -4.207 -14.464 460 1HG2 THR 59 2HG2 THR 59 -5.561 -4.877 -15.821 461 2HG2 THR 59 3HG2 THR 59 -4.729 -6.296 -15.140 462 3HG2 THR 59 1HG2 THR 59 -6.150 -5.616 -14.312 463 H GLU 60 H GLU 60 -4.876 -4.070 -11.446 464 HA GLU 60 HA GLU 60 -7.284 -4.696 -10.738 465 1HB GLU 60 1HB GLU 60 -5.237 -3.113 -9.154 466 2HB GLU 60 2HB GLU 60 -6.737 -3.627 -8.407 467 1HG GLU 60 1HG GLU 60 -5.915 -5.718 -8.118 468 2HG GLU 60 2HG GLU 60 -5.662 -5.885 -9.843 469 H ASN 61 H ASN 61 -6.161 -1.294 -11.060 470 HA ASN 61 HA ASN 61 -8.628 -0.263 -10.118 471 1HB ASN 61 1HB ASN 61 -6.001 0.743 -10.766 472 2HB ASN 61 2HB ASN 61 -7.148 1.654 -11.728 473 1HD2 ASN 61 1HD2 ASN 61 -9.229 2.223 -10.454 474 2HD2 ASN 61 2HD2 ASN 61 -8.992 2.942 -8.897 475 H PHE 62 H PHE 62 -6.856 -0.315 -13.310 476 HA PHE 62 HA PHE 62 -8.783 0.823 -14.872 477 1HB PHE 62 1HB PHE 62 -6.987 0.342 -16.252 478 2HB PHE 62 2HB PHE 62 -6.367 -0.799 -15.076 479 HD1 PHE 62 HD1 PHE 62 -7.871 -0.413 -18.284 480 HD2 PHE 62 HD2 PHE 62 -7.319 -3.177 -15.111 481 HE1 PHE 62 HE1 PHE 62 -8.396 -2.308 -19.844 482 HE2 PHE 62 HE2 PHE 62 -7.845 -5.072 -16.672 483 HZ PHE 62 HZ PHE 62 -8.377 -4.616 -19.020 484 H GLU 63 H GLU 63 -8.886 -2.244 -13.225 485 HA GLU 63 HA GLU 63 -10.642 -3.488 -15.062 486 1HB GLU 63 1HB GLU 63 -9.616 -4.095 -12.291 487 2HB GLU 63 2HB GLU 63 -11.010 -4.980 -12.878 488 1HG GLU 63 1HG GLU 63 -8.761 -4.764 -14.827 489 2HG GLU 63 2HG GLU 63 -8.390 -5.684 -13.382 490 H ASP 64 H ASP 64 -10.971 -1.682 -11.955 491 HA ASP 64 HA ASP 64 -13.705 -2.139 -11.701 492 1HB ASP 64 1HB ASP 64 -12.678 -1.382 -9.734 493 2HB ASP 64 2HB ASP 64 -11.698 -0.196 -10.573 494 H VAL 65 H VAL 65 -11.780 0.758 -12.808 495 HA VAL 65 HA VAL 65 -13.917 2.341 -13.550 496 HB VAL 65 HB VAL 65 -12.006 3.528 -13.517 497 1HG1 VAL 65 3HG1 VAL 65 -10.707 0.971 -14.368 498 2HG1 VAL 65 1HG1 VAL 65 -9.840 2.497 -14.668 499 3HG1 VAL 65 2HG1 VAL 65 -10.321 2.058 -13.011 500 1HG2 VAL 65 3HG2 VAL 65 -12.971 3.893 -15.756 501 2HG2 VAL 65 1HG2 VAL 65 -11.202 4.097 -15.756 502 3HG2 VAL 65 2HG2 VAL 65 -11.928 2.609 -16.411 503 H GLY 66 H GLY 66 -12.807 -0.644 -14.897 504 1HA GLY 66 2HA GLY 66 -14.871 -0.956 -16.674 505 2HA GLY 66 1HA GLY 66 -13.326 -1.777 -16.770 506 H HIS 67 H HIS 67 -11.553 -0.794 -18.025 507 HA HIS 67 HA HIS 67 -12.148 1.519 -19.586 508 1HB HIS 67 1HB HIS 67 -9.824 -0.395 -19.415 509 2HB HIS 67 2HB HIS 67 -9.906 0.820 -20.676 510 HD1 HIS 67 HD1 HIS 67 -9.152 0.363 -17.064 511 HD2 HIS 67 HD2 HIS 67 -9.780 3.548 -19.721 512 HE1 HIS 67 HE1 HIS 67 -8.305 2.459 -15.879 513 HE2 HIS 67 HE2 HIS 67 -8.669 4.375 -17.582 514 H SER 68 H SER 68 -11.463 1.221 -22.114 515 HA SER 68 HA SER 68 -13.287 -0.851 -23.030 516 1HB SER 68 1HB SER 68 -13.879 0.540 -24.809 517 2HB SER 68 2HB SER 68 -13.559 1.718 -23.551 518 HG SER 68 HG SER 68 -11.964 2.520 -24.723 519 H THR 69 H THR 69 -12.690 -2.101 -24.984 520 HA THR 69 HA THR 69 -10.112 -3.115 -24.894 521 HB THR 69 HB THR 69 -12.380 -3.152 -26.932 522 HG1 THR 69 HG1 THR 69 -12.335 -5.384 -26.015 523 1HG2 THR 69 1HG2 THR 69 -9.641 -3.801 -27.497 524 2HG2 THR 69 2HG2 THR 69 -10.487 -5.342 -27.220 525 3HG2 THR 69 3HG2 THR 69 -11.071 -4.218 -28.470 526 H ASP 70 H ASP 70 -11.353 -0.227 -26.475 527 HA ASP 70 HA ASP 70 -9.281 -0.051 -28.355 528 1HB ASP 70 1HB ASP 70 -11.466 1.163 -28.518 529 2HB ASP 70 2HB ASP 70 -11.032 2.127 -27.121 530 H ALA 71 H ALA 71 -9.934 1.324 -25.065 531 HA ALA 71 HA ALA 71 -7.734 3.010 -24.905 532 1HB ALA 71 2HB ALA 71 -8.108 2.768 -22.431 533 2HB ALA 71 3HB ALA 71 -9.591 3.125 -23.348 534 3HB ALA 71 1HB ALA 71 -9.273 1.468 -22.779 535 H ARG 72 H ARG 72 -8.132 -0.461 -23.929 536 HA ARG 72 HA ARG 72 -5.599 -0.744 -22.913 537 1HB ARG 72 1HB ARG 72 -7.217 -2.896 -24.366 538 2HB ARG 72 2HB ARG 72 -5.981 -3.171 -23.155 539 1HG ARG 72 1HG ARG 72 -7.382 -1.926 -21.474 540 2HG ARG 72 2HG ARG 72 -8.629 -1.717 -22.687 541 1HD ARG 72 1HD ARG 72 -7.582 -4.438 -21.762 542 2HD ARG 72 2HD ARG 72 -9.035 -3.681 -21.137 543 HE ARG 72 HE ARG 72 -10.143 -4.090 -23.198 544 1HH1 ARG 72 2HH1 ARG 72 -10.384 -5.242 -25.157 545 2HH1 ARG 72 1HH1 ARG 72 -9.010 -6.002 -25.888 546 1HH2 ARG 72 2HH2 ARG 72 -6.743 -4.976 -23.395 547 2HH2 ARG 72 1HH2 ARG 72 -6.926 -5.850 -24.879 548 H GLU 73 H GLU 73 -6.891 -1.116 -26.259 549 HA GLU 73 HA GLU 73 -4.563 -2.199 -27.332 550 1HB GLU 73 1HB GLU 73 -7.159 -1.301 -28.265 551 2HB GLU 73 2HB GLU 73 -5.923 -0.710 -29.357 552 1HG GLU 73 1HG GLU 73 -5.114 -2.916 -29.830 553 2HG GLU 73 2HG GLU 73 -5.908 -3.604 -28.426 554 H LEU 74 H LEU 74 -5.757 1.174 -26.923 555 HA LEU 74 HA LEU 74 -3.839 2.447 -28.464 556 1HB LEU 74 1HB LEU 74 -4.876 4.280 -27.780 557 2HB LEU 74 2HB LEU 74 -6.007 3.185 -27.011 558 HG LEU 74 HG LEU 74 -4.202 3.393 -25.019 559 1HD1 LEU 74 3HD1 LEU 74 -3.516 5.521 -26.857 560 2HD1 LEU 74 1HD1 LEU 74 -4.026 6.173 -25.282 561 3HD1 LEU 74 2HD1 LEU 74 -2.700 4.990 -25.368 562 1HD2 LEU 74 3HD2 LEU 74 -6.767 4.606 -25.679 563 2HD2 LEU 74 1HD2 LEU 74 -6.180 3.923 -24.143 564 3HD2 LEU 74 2HD2 LEU 74 -5.809 5.612 -24.567 565 H SER 75 H SER 75 -3.750 1.248 -25.077 566 HA SER 75 HA SER 75 -1.403 2.470 -24.345 567 1HB SER 75 1HB SER 75 -3.194 0.864 -23.096 568 2HB SER 75 2HB SER 75 -1.929 -0.318 -23.368 569 HG SER 75 HG SER 75 -1.719 0.819 -21.311 570 H LYS 76 H LYS 76 -2.051 -0.488 -26.252 571 HA LYS 76 HA LYS 76 0.538 -1.547 -26.154 572 1HB LYS 76 1HB LYS 76 -0.265 -3.132 -27.577 573 2HB LYS 76 2HB LYS 76 -1.790 -2.501 -26.987 574 1HG LYS 76 1HG LYS 76 -2.318 -2.167 -29.178 575 2HG LYS 76 2HG LYS 76 -1.258 -0.774 -29.096 576 1HD LYS 76 1HD LYS 76 0.671 -2.460 -29.648 577 2HD LYS 76 2HD LYS 76 -0.607 -3.565 -30.113 578 1HE LYS 76 1HE LYS 76 -0.672 -0.754 -31.225 579 2HE LYS 76 2HE LYS 76 0.492 -1.883 -31.890 580 1HZ LYS 76 2HZ LYS 76 -2.259 -2.762 -31.584 581 2HZ LYS 76 3HZ LYS 76 -1.898 -1.755 -32.818 582 3HZ LYS 76 1HZ LYS 76 -1.151 -3.202 -32.700 583 H THR 77 H THR 77 -0.594 1.391 -27.438 584 HA THR 77 HA THR 77 1.095 1.485 -29.748 585 HB THR 77 HB THR 77 -1.144 2.768 -29.126 586 HG1 THR 77 HG1 THR 77 -0.311 4.382 -30.631 587 1HG2 THR 77 1HG2 THR 77 0.105 3.844 -27.057 588 2HG2 THR 77 2HG2 THR 77 0.897 4.859 -28.285 589 3HG2 THR 77 3HG2 THR 77 -0.873 4.901 -28.105 590 H PHE 78 H PHE 78 1.321 2.589 -26.333 591 HA PHE 78 HA PHE 78 4.094 3.343 -26.925 592 1HB PHE 78 1HB PHE 78 1.878 4.601 -25.578 593 2HB PHE 78 2HB PHE 78 2.988 4.128 -24.308 594 HD1 PHE 78 HD1 PHE 78 2.477 6.318 -27.177 595 HD2 PHE 78 HD2 PHE 78 5.225 5.110 -24.177 596 HE1 PHE 78 HE1 PHE 78 3.876 8.350 -27.640 597 HE2 PHE 78 HE2 PHE 78 6.625 7.141 -24.641 598 HZ PHE 78 HZ PHE 78 5.934 8.736 -26.367 599 H ILE 79 H ILE 79 2.733 0.612 -26.209 600 HA ILE 79 HA ILE 79 3.404 -0.096 -23.625 601 HB ILE 79 HB ILE 79 2.661 -1.394 -26.109 602 1HG1 ILE 79 1HG1 ILE 79 2.205 -1.888 -23.161 603 2HG1 ILE 79 2HG1 ILE 79 1.093 -1.201 -24.328 604 1HG2 ILE 79 1HG2 ILE 79 4.894 -2.420 -25.880 605 2HG2 ILE 79 2HG2 ILE 79 4.453 -2.978 -24.247 606 3HG2 ILE 79 3HG2 ILE 79 3.573 -3.594 -25.666 607 1HD1 ILE 79 1HD1 ILE 79 1.125 -3.400 -25.583 608 2HD1 ILE 79 2HD1 ILE 79 2.116 -4.075 -24.267 609 3HD1 ILE 79 3HD1 ILE 79 0.457 -3.520 -23.938 610 H ILE 80 H ILE 80 5.269 -0.697 -22.571 611 HA ILE 80 HA ILE 80 7.719 -0.289 -24.113 612 HB ILE 80 HB ILE 80 8.241 -0.563 -21.344 613 1HG1 ILE 80 1HG1 ILE 80 5.868 1.230 -21.934 614 2HG1 ILE 80 2HG1 ILE 80 5.902 -0.160 -20.866 615 1HG2 ILE 80 2HG2 ILE 80 9.272 0.854 -23.293 616 2HG2 ILE 80 3HG2 ILE 80 8.119 2.091 -22.736 617 3HG2 ILE 80 1HG2 ILE 80 9.339 1.441 -21.614 618 1HD1 ILE 80 1HD1 ILE 80 7.663 1.009 -19.473 619 2HD1 ILE 80 2HD1 ILE 80 7.451 2.444 -20.505 620 3HD1 ILE 80 3HD1 ILE 80 6.098 1.856 -19.510 621 H GLY 81 H GLY 81 5.953 -2.617 -22.027 622 1HA GLY 81 2HA GLY 81 7.960 -4.543 -21.778 623 2HA GLY 81 1HA GLY 81 7.122 -4.851 -23.286 624 H GLU 82 H GLU 82 7.194 -6.299 -20.569 625 HA GLU 82 HA GLU 82 4.473 -6.005 -19.705 626 1HB GLU 82 1HB GLU 82 5.214 -8.820 -20.414 627 2HB GLU 82 2HB GLU 82 3.639 -8.052 -20.406 628 1HG GLU 82 1HG GLU 82 4.282 -6.748 -22.458 629 2HG GLU 82 2HG GLU 82 5.836 -7.559 -22.474 630 H LEU 83 H LEU 83 4.040 -7.685 -17.833 631 HA LEU 83 HA LEU 83 6.278 -7.451 -16.060 632 1HB LEU 83 1HB LEU 83 3.768 -7.126 -15.579 633 2HB LEU 83 2HB LEU 83 3.691 -8.874 -15.495 634 HG LEU 83 HG LEU 83 4.115 -8.602 -13.319 635 1HD1 LEU 83 3HD1 LEU 83 6.230 -9.555 -14.084 636 2HD1 LEU 83 1HD1 LEU 83 6.904 -7.920 -14.288 637 3HD1 LEU 83 2HD1 LEU 83 6.471 -8.507 -12.666 638 1HD2 LEU 83 1HD2 LEU 83 5.021 -5.832 -14.075 639 2HD2 LEU 83 2HD2 LEU 83 3.614 -6.339 -13.108 640 3HD2 LEU 83 3HD2 LEU 83 5.255 -6.462 -12.426 641 H HIS 84 H HIS 84 7.797 -8.965 -15.596 642 HA HIS 84 HA HIS 84 7.703 -11.401 -17.089 643 1HB HIS 84 1HB HIS 84 9.695 -9.739 -16.029 644 2HB HIS 84 2HB HIS 84 9.819 -11.220 -15.099 645 HD1 HIS 84 HD1 HIS 84 8.715 -11.415 -18.695 646 HD2 HIS 84 HD2 HIS 84 12.209 -11.938 -16.435 647 HE1 HIS 84 HE1 HIS 84 10.401 -12.548 -20.239 648 HE2 HIS 84 HE2 HIS 84 12.546 -12.793 -18.810 649 HA PRO 85 HA PRO 85 6.655 -14.130 -13.861 650 1HB PRO 85 1HB PRO 85 8.694 -15.907 -13.467 651 2HB PRO 85 2HB PRO 85 7.577 -16.011 -14.814 652 1HG PRO 85 1HG PRO 85 10.390 -15.100 -14.804 653 2HG PRO 85 2HG PRO 85 9.407 -15.611 -16.161 654 1HD PRO 85 1HD PRO 85 10.090 -12.916 -15.455 655 2HD PRO 85 2HD PRO 85 9.013 -13.422 -16.743 656 H ASP 86 H ASP 86 8.594 -11.748 -13.179 657 HA ASP 86 HA ASP 86 9.501 -12.631 -10.635 658 1HB ASP 86 1HB ASP 86 10.919 -10.954 -11.297 659 2HB ASP 86 2HB ASP 86 9.721 -10.226 -12.347 660 H ASP 87 H ASP 87 6.668 -11.073 -12.065 661 HA ASP 87 HA ASP 87 5.347 -11.176 -9.551 662 1HB ASP 87 1HB ASP 87 6.309 -8.611 -10.708 663 2HB ASP 87 2HB ASP 87 4.603 -8.603 -10.307 664 H ARG 88 H ARG 88 5.072 -12.523 -12.095 665 HA ARG 88 HA ARG 88 3.030 -11.159 -13.542 666 1HB ARG 88 1HB ARG 88 4.789 -13.480 -13.938 667 2HB ARG 88 2HB ARG 88 3.146 -13.863 -14.408 668 1HG ARG 88 1HG ARG 88 3.058 -12.008 -15.971 669 2HG ARG 88 2HG ARG 88 4.542 -11.319 -15.342 670 1HD ARG 88 1HD ARG 88 5.743 -12.534 -16.835 671 2HD ARG 88 2HD ARG 88 5.151 -14.017 -16.114 672 HE ARG 88 HE ARG 88 3.151 -12.847 -17.858 673 1HH1 ARG 88 2HH1 ARG 88 2.703 -13.851 -19.861 674 2HH1 ARG 88 1HH1 ARG 88 3.827 -14.985 -20.532 675 1HH2 ARG 88 2HH2 ARG 88 6.127 -14.725 -17.876 676 2HH2 ARG 88 1HH2 ARG 88 5.787 -15.486 -19.395 677 H SER 89 H SER 89 3.223 -14.513 -12.117 678 HA SER 89 HA SER 89 0.431 -14.721 -12.002 679 1HB SER 89 1HB SER 89 0.917 -16.816 -10.695 680 2HB SER 89 2HB SER 89 1.787 -16.719 -12.213 681 HG SER 89 HG SER 89 2.835 -16.132 -9.577 682 H LYS 90 H LYS 90 1.444 -12.310 -10.662 683 HA LYS 90 HA LYS 90 0.384 -12.866 -7.989 684 1HB LYS 90 1HB LYS 90 3.061 -11.905 -8.683 685 2HB LYS 90 2HB LYS 90 2.218 -10.811 -7.606 686 1HG LYS 90 1HG LYS 90 2.129 -13.778 -7.020 687 2HG LYS 90 2HG LYS 90 3.593 -12.891 -6.645 688 1HD LYS 90 1HD LYS 90 2.638 -12.113 -4.744 689 2HD LYS 90 2HD LYS 90 1.411 -11.295 -5.692 690 1HE LYS 90 1HE LYS 90 0.062 -12.706 -4.414 691 2HE LYS 90 2HE LYS 90 0.304 -13.714 -5.826 692 1HZ LYS 90 3HZ LYS 90 2.339 -14.525 -4.515 693 2HZ LYS 90 1HZ LYS 90 1.560 -13.928 -3.210 694 3HZ LYS 90 2HZ LYS 90 0.860 -15.093 -4.116 695 H ILE 91 H ILE 91 0.846 -10.737 -10.797 696 HA ILE 91 HA ILE 91 -1.395 -9.143 -9.787 697 HB ILE 91 HB ILE 91 -0.336 -7.193 -9.951 698 1HG1 ILE 91 1HG1 ILE 91 1.106 -8.310 -12.365 699 2HG1 ILE 91 2HG1 ILE 91 -0.199 -7.140 -12.336 700 1HG2 ILE 91 3HG2 ILE 91 1.214 -8.888 -8.695 701 2HG2 ILE 91 1HG2 ILE 91 2.304 -8.610 -10.074 702 3HG2 ILE 91 2HG2 ILE 91 1.786 -7.242 -9.060 703 1HD1 ILE 91 2HD1 ILE 91 1.400 -5.657 -10.906 704 2HD1 ILE 91 3HD1 ILE 91 2.683 -6.761 -11.458 705 3HD1 ILE 91 1HD1 ILE 91 1.748 -5.817 -12.644 706 H THR 92 H THR 92 0.531 -10.455 -12.508 707 HA THR 92 HA THR 92 -0.714 -9.523 -14.689 708 HB THR 92 HB THR 92 1.109 -11.390 -14.315 709 HG1 THR 92 HG1 THR 92 0.746 -11.727 -16.526 710 1HG2 THR 92 3HG2 THR 92 -0.819 -12.938 -13.293 711 2HG2 THR 92 1HG2 THR 92 -1.216 -13.208 -15.006 712 3HG2 THR 92 2HG2 THR 92 0.397 -13.640 -14.388 713 H LYS 93 H LYS 93 -2.142 -11.722 -12.272 714 HA LYS 93 HA LYS 93 -4.593 -11.715 -13.883 715 1HB LYS 93 1HB LYS 93 -5.215 -13.733 -12.808 716 2HB LYS 93 2HB LYS 93 -3.544 -13.924 -13.294 717 1HG LYS 93 1HG LYS 93 -3.170 -14.550 -11.132 718 2HG LYS 93 2HG LYS 93 -3.239 -12.838 -10.766 719 1HD LYS 93 1HD LYS 93 -5.186 -13.068 -9.619 720 2HD LYS 93 2HD LYS 93 -5.942 -13.941 -10.939 721 1HE LYS 93 1HE LYS 93 -4.060 -15.765 -9.849 722 2HE LYS 93 2HE LYS 93 -4.783 -14.985 -8.456 723 1HZ LYS 93 3HZ LYS 93 -6.954 -15.437 -9.728 724 2HZ LYS 93 1HZ LYS 93 -6.081 -16.562 -10.526 725 3HZ LYS 93 2HZ LYS 93 -6.243 -16.654 -8.905 726 HA PRO 94 HA PRO 94 -6.331 -9.091 -10.921 727 1HB PRO 94 1HB PRO 94 -8.977 -9.351 -11.560 728 2HB PRO 94 2HB PRO 94 -7.877 -8.304 -12.436 729 1HG PRO 94 1HG PRO 94 -8.983 -10.923 -13.243 730 2HG PRO 94 2HG PRO 94 -8.247 -9.687 -14.244 731 1HD PRO 94 1HD PRO 94 -7.037 -12.140 -13.377 732 2HD PRO 94 2HD PRO 94 -6.264 -10.851 -14.278 733 H SER 95 H SER 95 -8.499 -9.066 -9.403 734 HA SER 95 HA SER 95 -8.568 -11.707 -8.213 735 1HB SER 95 1HB SER 95 -7.077 -9.563 -7.117 736 2HB SER 95 2HB SER 95 -8.538 -9.632 -6.152 737 HG SER 95 HG SER 95 -7.855 -12.166 -6.380 738 H GLU 96 H GLU 96 -10.361 -11.682 -6.362 739 HA GLU 96 HA GLU 96 -12.588 -10.202 -7.502 740 1HB GLU 96 1HB GLU 96 -12.296 -12.911 -6.803 741 2HB GLU 96 2HB GLU 96 -13.275 -12.251 -5.508 742 1HG GLU 96 1HG GLU 96 -15.080 -11.863 -6.879 743 2HG GLU 96 2HG GLU 96 -14.081 -11.327 -8.218 744 H SER 97 H SER 97 -14.388 -9.717 -5.715 745 HA SER 97 HA SER 97 -13.016 -8.781 -3.325 746 1HB SER 97 1HB SER 97 -13.878 -7.096 -5.361 747 2HB SER 97 2HB SER 97 -15.239 -7.058 -4.258 748 HG SER 97 HG SER 97 -12.628 -6.046 -3.939 749 H ILE 98 H ILE 98 -14.770 -8.104 -1.586 750 HA ILE 98 HA ILE 98 -16.684 -10.289 -1.518 751 HB ILE 98 HB ILE 98 -16.908 -9.688 0.846 752 1HG1 ILE 98 1HG1 ILE 98 -14.651 -7.952 1.152 753 2HG1 ILE 98 2HG1 ILE 98 -15.752 -7.220 0.003 754 1HG2 ILE 98 2HG2 ILE 98 -15.001 -11.149 -0.249 755 2HG2 ILE 98 3HG2 ILE 98 -13.959 -9.851 0.384 756 3HG2 ILE 98 1HG2 ILE 98 -15.001 -10.776 1.491 757 1HD1 ILE 98 3HD1 ILE 98 -16.535 -8.276 2.760 758 2HD1 ILE 98 1HD1 ILE 98 -16.317 -6.563 2.326 759 3HD1 ILE 98 2HD1 ILE 98 -17.639 -7.506 1.595 760 H ILE 99 H ILE 99 -18.833 -9.543 -0.220 761 HA ILE 99 HA ILE 99 -19.741 -6.971 -1.196 762 HB ILE 99 HB ILE 99 -21.727 -7.956 -2.265 763 1HG1 ILE 99 1HG1 ILE 99 -20.772 -10.572 -2.859 764 2HG1 ILE 99 2HG1 ILE 99 -20.710 -10.384 -1.118 765 1HG2 ILE 99 2HG2 ILE 99 -19.508 -7.315 -3.436 766 2HG2 ILE 99 3HG2 ILE 99 -19.297 -9.070 -3.646 767 3HG2 ILE 99 1HG2 ILE 99 -20.722 -8.255 -4.336 768 1HD1 ILE 99 3HD1 ILE 99 -23.099 -9.475 -1.220 769 2HD1 ILE 99 1HD1 ILE 99 -23.124 -9.965 -2.932 770 3HD1 ILE 99 2HD1 ILE 99 -22.922 -11.191 -1.657 771 H THR 100 H THR 100 -22.232 -6.789 -0.448 772 HA THR 100 HA THR 100 -23.581 -6.588 1.309 773 HB THR 100 HB THR 100 -22.524 -9.425 1.753 774 HG1 THR 100 HG1 THR 100 -24.611 -9.802 0.699 775 1HG2 THR 100 3HG2 THR 100 -24.976 -8.048 2.971 776 2HG2 THR 100 1HG2 THR 100 -24.569 -9.775 3.122 777 3HG2 THR 100 2HG2 THR 100 -23.533 -8.545 3.885 778 H THR 101 H THR 101 -23.705 -5.940 3.514 779 HA THR 101 HA THR 101 -21.548 -6.269 5.293 780 HB THR 101 HB THR 101 -20.422 -4.767 3.624 781 HG1 THR 101 HG1 THR 101 -20.032 -3.088 5.358 782 1HG2 THR 101 1HG2 THR 101 -22.817 -3.514 3.262 783 2HG2 THR 101 2HG2 THR 101 -22.141 -2.478 4.542 784 3HG2 THR 101 3HG2 THR 101 -21.263 -2.683 3.009 785 H ILE 102 H ILE 102 -22.860 -6.613 6.991 786 HA ILE 102 HA ILE 102 -24.497 -6.311 8.455 787 HB ILE 102 HB ILE 102 -24.565 -4.178 9.532 788 1HG1 ILE 102 1HG1 ILE 102 -22.990 -2.934 7.278 789 2HG1 ILE 102 2HG1 ILE 102 -24.741 -2.910 7.294 790 1HG2 ILE 102 3HG2 ILE 102 -21.879 -5.098 8.541 791 2HG2 ILE 102 1HG2 ILE 102 -22.024 -3.703 9.636 792 3HG2 ILE 102 2HG2 ILE 102 -22.626 -5.299 10.144 793 1HD1 ILE 102 1HD1 ILE 102 -23.719 -2.141 9.916 794 2HD1 ILE 102 2HD1 ILE 102 -23.001 -1.127 8.640 795 3HD1 ILE 102 3HD1 ILE 102 -24.770 -1.225 8.808 796 H ASP 103 H ASP 103 -26.558 -4.590 8.915 797 HA ASP 103 HA ASP 103 -27.825 -3.620 6.670 798 1HB ASP 103 1HB ASP 103 -29.640 -5.356 6.434 799 2HB ASP 103 2HB ASP 103 -28.067 -5.909 5.891 800 H SER 104 H SER 104 -29.162 -2.105 7.666 801 HA SER 104 HA SER 104 -31.053 -2.831 9.561 802 1HB SER 104 1HB SER 104 -29.042 -2.971 11.053 803 2HB SER 104 2HB SER 104 -28.677 -1.293 10.703 804 HG SER 104 HG SER 104 -30.043 -0.742 12.243 No H/Q in entry = 804 Start of MODEL 36 1 H ALA 1 H ALA 1 34.512 -0.307 -29.670 2 HA ALA 1 HA ALA 1 34.102 -0.884 -32.018 3 1HB ALA 1 3HB ALA 1 34.148 -3.167 -31.620 4 2HB ALA 1 2HB ALA 1 32.889 -3.083 -30.364 5 3HB ALA 1 1HB ALA 1 34.549 -2.552 -29.999 6 H GLU 2 H GLU 2 31.250 -1.667 -29.893 7 HA GLU 2 HA GLU 2 29.434 -0.268 -31.362 8 1HB GLU 2 1HB GLU 2 30.280 -2.349 -32.956 9 2HB GLU 2 2HB GLU 2 28.900 -3.085 -32.165 10 1HG GLU 2 1HG GLU 2 27.875 -2.067 -34.010 11 2HG GLU 2 2HG GLU 2 27.657 -0.836 -32.781 12 H GLU 3 H GLU 3 27.171 -0.730 -30.657 13 HA GLU 3 HA GLU 3 26.443 -2.800 -29.066 14 1HB GLU 3 1HB GLU 3 28.192 -0.972 -27.640 15 2HB GLU 3 2HB GLU 3 26.597 -0.926 -26.918 16 1HG GLU 3 1HG GLU 3 27.255 -3.686 -27.518 17 2HG GLU 3 2HG GLU 3 28.599 -2.969 -26.650 18 H SER 4 H SER 4 24.313 -2.378 -27.946 19 HA SER 4 HA SER 4 23.072 0.035 -27.910 20 1HB SER 4 1HB SER 4 21.520 -0.228 -29.941 21 2HB SER 4 2HB SER 4 23.156 0.305 -30.272 22 HG SER 4 HG SER 4 22.627 -2.503 -30.309 23 H SER 5 H SER 5 20.627 -0.226 -27.591 24 HA SER 5 HA SER 5 19.361 -2.630 -27.626 25 1HB SER 5 1HB SER 5 21.261 -2.477 -25.437 26 2HB SER 5 2HB SER 5 19.637 -2.535 -24.781 27 HG SER 5 HG SER 5 20.374 -4.351 -26.878 28 H LYS 6 H LYS 6 17.255 -2.546 -26.335 29 HA LYS 6 HA LYS 6 16.482 -0.443 -24.769 30 1HB LYS 6 1HB LYS 6 16.773 0.372 -27.539 31 2HB LYS 6 2HB LYS 6 15.109 0.536 -27.018 32 1HG LYS 6 1HG LYS 6 16.395 1.544 -24.811 33 2HG LYS 6 2HG LYS 6 17.550 1.974 -26.058 34 1HD LYS 6 1HD LYS 6 15.917 3.258 -27.281 35 2HD LYS 6 2HD LYS 6 14.582 2.570 -26.378 36 1HE LYS 6 1HE LYS 6 16.418 3.780 -24.495 37 2HE LYS 6 2HE LYS 6 16.103 4.939 -25.772 38 1HZ LYS 6 2HZ LYS 6 13.725 4.493 -25.429 39 2HZ LYS 6 3HZ LYS 6 14.090 3.549 -24.147 40 3HZ LYS 6 1HZ LYS 6 14.447 5.143 -24.116 41 H ALA 7 H ALA 7 13.840 -0.069 -25.315 42 HA ALA 7 HA ALA 7 11.850 -1.039 -25.322 43 1HB ALA 7 3HB ALA 7 11.399 -2.859 -26.822 44 2HB ALA 7 2HB ALA 7 13.102 -3.379 -26.805 45 3HB ALA 7 1HB ALA 7 12.645 -1.851 -27.596 46 H VAL 8 H VAL 8 11.890 -1.229 -23.026 47 HA VAL 8 HA VAL 8 13.160 -2.958 -21.455 48 HB VAL 8 HB VAL 8 11.838 -1.710 -20.171 49 1HG1 VAL 8 3HG1 VAL 8 10.064 -1.645 -22.578 50 2HG1 VAL 8 1HG1 VAL 8 9.360 -1.199 -21.005 51 3HG1 VAL 8 2HG1 VAL 8 10.767 -0.308 -21.635 52 1HG2 VAL 8 3HG2 VAL 8 9.875 -3.948 -20.765 53 2HG2 VAL 8 1HG2 VAL 8 11.119 -3.921 -19.491 54 3HG2 VAL 8 2HG2 VAL 8 9.735 -2.803 -19.410 55 H LYS 9 H LYS 9 10.032 -3.730 -23.141 56 HA LYS 9 HA LYS 9 9.252 -5.647 -23.922 57 1HB LYS 9 1HB LYS 9 12.138 -6.359 -23.622 58 2HB LYS 9 2HB LYS 9 10.998 -7.671 -23.841 59 1HG LYS 9 1HG LYS 9 10.062 -6.053 -25.786 60 2HG LYS 9 2HG LYS 9 11.698 -5.428 -25.729 61 1HD LYS 9 1HD LYS 9 12.384 -7.998 -25.800 62 2HD LYS 9 2HD LYS 9 10.763 -8.223 -26.430 63 1HE LYS 9 1HE LYS 9 12.486 -6.058 -27.650 64 2HE LYS 9 2HE LYS 9 12.828 -7.726 -28.066 65 1HZ LYS 9 3HZ LYS 9 10.341 -7.846 -28.511 66 2HZ LYS 9 1HZ LYS 9 10.377 -6.215 -28.540 67 3HZ LYS 9 2HZ LYS 9 11.274 -7.069 -29.603 68 H TYR 10 H TYR 10 11.431 -6.484 -21.131 69 HA TYR 10 HA TYR 10 9.028 -7.418 -19.731 70 1HB TYR 10 1HB TYR 10 11.257 -9.037 -18.983 71 2HB TYR 10 2HB TYR 10 9.914 -9.553 -19.983 72 HD1 TYR 10 HD1 TYR 10 10.180 -9.911 -22.338 73 HD2 TYR 10 HD2 TYR 10 13.349 -8.152 -20.064 74 HE1 TYR 10 HE1 TYR 10 11.769 -10.225 -24.296 75 HE2 TYR 10 HE2 TYR 10 14.928 -8.471 -22.031 76 HH TYR 10 HH TYR 10 15.152 -9.815 -23.956 77 H TYR 11 H TYR 11 8.841 -6.355 -17.828 78 HA TYR 11 HA TYR 11 11.342 -5.595 -16.482 79 1HB TYR 11 1HB TYR 11 9.069 -4.063 -17.552 80 2HB TYR 11 2HB TYR 11 9.101 -3.880 -15.810 81 HD1 TYR 11 HD1 TYR 11 9.662 -1.541 -15.801 82 HD2 TYR 11 HD2 TYR 11 12.163 -4.351 -17.841 83 HE1 TYR 11 HE1 TYR 11 11.478 0.224 -16.022 84 HE2 TYR 11 HE2 TYR 11 13.971 -2.577 -18.054 85 HH TYR 11 HH TYR 11 13.356 0.747 -17.097 86 H THR 12 H THR 12 10.870 -5.034 -14.071 87 HA THR 12 HA THR 12 9.068 -7.126 -13.056 88 HB THR 12 HB THR 12 10.600 -7.208 -11.146 89 HG1 THR 12 HG1 THR 12 12.310 -5.560 -11.118 90 1HG2 THR 12 2HG2 THR 12 11.458 -7.853 -13.725 91 2HG2 THR 12 3HG2 THR 12 12.734 -6.747 -13.159 92 3HG2 THR 12 1HG2 THR 12 12.357 -8.220 -12.233 93 H LEU 13 H LEU 13 7.887 -6.687 -11.045 94 HA LEU 13 HA LEU 13 6.307 -4.469 -11.251 95 1HB LEU 13 1HB LEU 13 6.813 -6.581 -9.296 96 2HB LEU 13 2HB LEU 13 6.259 -5.091 -8.560 97 HG LEU 13 HG LEU 13 4.831 -6.552 -10.800 98 1HD1 LEU 13 3HD1 LEU 13 5.013 -7.551 -8.347 99 2HD1 LEU 13 1HD1 LEU 13 3.709 -6.379 -8.041 100 3HD1 LEU 13 2HD1 LEU 13 3.507 -7.631 -9.292 101 1HD2 LEU 13 3HD2 LEU 13 4.550 -4.017 -10.597 102 2HD2 LEU 13 1HD2 LEU 13 3.073 -5.011 -10.597 103 3HD2 LEU 13 2HD2 LEU 13 3.703 -4.352 -9.068 104 H GLU 14 H GLU 14 9.439 -4.879 -9.564 105 HA GLU 14 HA GLU 14 9.282 -2.451 -8.188 106 1HB GLU 14 1HB GLU 14 11.045 -4.650 -8.321 107 2HB GLU 14 2HB GLU 14 12.016 -3.285 -8.837 108 1HG GLU 14 1HG GLU 14 12.218 -2.632 -6.679 109 2HG GLU 14 2HG GLU 14 10.489 -2.353 -6.613 110 H GLU 15 H GLU 15 11.121 -3.414 -11.179 111 HA GLU 15 HA GLU 15 12.256 -1.083 -11.788 112 1HB GLU 15 1HB GLU 15 10.989 -3.192 -13.560 113 2HB GLU 15 2HB GLU 15 11.781 -1.800 -14.270 114 1HG GLU 15 1HG GLU 15 13.796 -2.410 -12.697 115 2HG GLU 15 2HG GLU 15 13.002 -3.963 -12.520 116 H ILE 16 H ILE 16 8.804 -1.958 -12.190 117 HA ILE 16 HA ILE 16 8.224 0.498 -13.574 118 HB ILE 16 HB ILE 16 6.288 -1.501 -12.416 119 1HG1 ILE 16 1HG1 ILE 16 6.854 -1.812 -15.256 120 2HG1 ILE 16 2HG1 ILE 16 8.288 -2.084 -14.286 121 1HG2 ILE 16 1HG2 ILE 16 6.072 0.901 -14.064 122 2HG2 ILE 16 2HG2 ILE 16 5.295 -0.521 -14.801 123 3HG2 ILE 16 3HG2 ILE 16 4.823 0.004 -13.167 124 1HD1 ILE 16 2HD1 ILE 16 6.506 -3.468 -12.775 125 2HD1 ILE 16 3HD1 ILE 16 5.722 -3.627 -14.365 126 3HD1 ILE 16 1HD1 ILE 16 7.390 -4.203 -14.133 127 H GLN 17 H GLN 17 7.986 -0.871 -10.269 128 HA GLN 17 HA GLN 17 6.384 1.095 -9.199 129 1HB GLN 17 1HB GLN 17 7.463 -1.192 -8.253 130 2HB GLN 17 2HB GLN 17 8.585 -0.067 -7.517 131 1HG GLN 17 1HG GLN 17 5.827 0.883 -7.225 132 2HG GLN 17 2HG GLN 17 5.991 -0.742 -6.590 133 1HE2 GLN 17 1HE2 GLN 17 5.546 1.791 -5.220 134 2HE2 GLN 17 2HE2 GLN 17 6.823 1.990 -4.067 135 H LYS 18 H LYS 18 9.584 1.301 -10.460 136 HA LYS 18 HA LYS 18 10.298 3.556 -8.773 137 1HB LYS 18 1HB LYS 18 11.846 2.239 -11.023 138 2HB LYS 18 2HB LYS 18 12.456 3.432 -9.895 139 1HG LYS 18 1HG LYS 18 11.277 0.782 -8.962 140 2HG LYS 18 2HG LYS 18 12.972 0.951 -9.370 141 1HD LYS 18 1HD LYS 18 11.732 2.926 -7.442 142 2HD LYS 18 2HD LYS 18 12.135 1.320 -6.865 143 1HE LYS 18 1HE LYS 18 14.239 2.128 -6.533 144 2HE LYS 18 2HE LYS 18 14.435 2.016 -8.272 145 1HZ LYS 18 3HZ LYS 18 13.275 4.318 -8.184 146 2HZ LYS 18 1HZ LYS 18 13.849 4.351 -6.654 147 3HZ LYS 18 2HZ LYS 18 14.881 4.191 -7.911 148 H HIS 19 H HIS 19 9.020 2.762 -11.983 149 HA HIS 19 HA HIS 19 9.510 5.399 -12.988 150 1HB HIS 19 1HB HIS 19 8.134 2.931 -14.029 151 2HB HIS 19 2HB HIS 19 7.947 4.467 -14.852 152 HD1 HIS 19 HD1 HIS 19 9.480 4.541 -16.811 153 HD2 HIS 19 HD2 HIS 19 11.252 2.652 -13.511 154 HE1 HIS 19 HE1 HIS 19 11.849 3.923 -17.529 155 HE2 HIS 19 HE2 HIS 19 12.905 2.814 -15.443 156 H ASN 20 H ASN 20 8.458 6.485 -11.083 157 HA ASN 20 HA ASN 20 5.569 6.512 -11.489 158 1HB ASN 20 1HB ASN 20 7.209 6.954 -8.943 159 2HB ASN 20 2HB ASN 20 5.507 7.353 -9.049 160 1HD2 ASN 20 1HD2 ASN 20 7.556 4.665 -10.188 161 2HD2 ASN 20 2HD2 ASN 20 6.616 3.374 -9.515 162 H ASN 21 H ASN 21 8.114 8.078 -12.541 163 HA ASN 21 HA ASN 21 7.329 10.714 -11.600 164 1HB ASN 21 1HB ASN 21 9.836 9.635 -12.969 165 2HB ASN 21 2HB ASN 21 9.524 11.358 -12.892 166 1HD2 ASN 21 1HD2 ASN 21 10.581 8.562 -11.247 167 2HD2 ASN 21 2HD2 ASN 21 10.915 9.255 -9.695 168 H SER 22 H SER 22 7.130 12.451 -13.317 169 HA SER 22 HA SER 22 5.691 11.454 -15.529 170 1HB SER 22 1HB SER 22 6.619 14.271 -14.819 171 2HB SER 22 2HB SER 22 5.536 13.904 -16.147 172 HG SER 22 HG SER 22 3.925 13.287 -14.734 173 H LYS 23 H LYS 23 8.742 10.931 -15.158 174 HA LYS 23 HA LYS 23 9.586 12.016 -17.753 175 1HB LYS 23 1HB LYS 23 11.702 12.304 -16.958 176 2HB LYS 23 2HB LYS 23 10.815 12.541 -15.467 177 1HG LYS 23 1HG LYS 23 11.135 10.084 -14.939 178 2HG LYS 23 2HG LYS 23 12.117 9.933 -16.382 179 1HD LYS 23 1HD LYS 23 13.932 10.677 -15.250 180 2HD LYS 23 2HD LYS 23 13.119 12.194 -14.914 181 1HE LYS 23 1HE LYS 23 12.023 10.132 -13.183 182 2HE LYS 23 2HE LYS 23 13.771 10.104 -13.063 183 1HZ LYS 23 1HZ LYS 23 12.096 12.499 -12.751 184 2HZ LYS 23 2HZ LYS 23 12.802 11.669 -11.536 185 3HZ LYS 23 3HZ LYS 23 13.724 12.463 -12.625 186 H SER 24 H SER 24 8.637 9.214 -15.964 187 HA SER 24 HA SER 24 9.166 7.626 -18.275 188 1HB SER 24 1HB SER 24 11.173 7.609 -16.419 189 2HB SER 24 2HB SER 24 10.162 6.334 -15.769 190 HG SER 24 HG SER 24 10.233 5.789 -18.351 191 H THR 25 H THR 25 6.890 8.722 -16.614 192 HA THR 25 HA THR 25 5.701 7.031 -14.891 193 HB THR 25 HB THR 25 4.146 8.248 -17.204 194 HG1 THR 25 HG1 THR 25 5.338 9.596 -14.894 195 1HG2 THR 25 2HG2 THR 25 3.807 7.938 -14.193 196 2HG2 THR 25 3HG2 THR 25 2.921 9.198 -15.082 197 3HG2 THR 25 1HG2 THR 25 2.669 7.482 -15.483 198 H TRP 26 H TRP 26 6.062 4.846 -15.036 199 HA TRP 26 HA TRP 26 4.924 3.577 -17.435 200 1HB TRP 26 1HB TRP 26 7.236 2.759 -15.680 201 2HB TRP 26 2HB TRP 26 6.431 1.644 -16.766 202 HD1 TRP 26 HD1 TRP 26 6.637 5.060 -18.307 203 HE1 TRP 26 HE1 TRP 26 8.521 5.238 -20.146 204 HE3 TRP 26 HE3 TRP 26 8.912 0.662 -17.153 205 HZ2 TRP 26 HZ2 TRP 26 10.704 3.558 -20.894 206 HZ3 TRP 26 HZ3 TRP 26 10.915 0.004 -18.486 207 HH2 TRP 26 HH2 TRP 26 11.813 1.374 -20.301 208 H LEU 27 H LEU 27 3.693 1.581 -17.021 209 HA LEU 27 HA LEU 27 3.050 0.983 -14.278 210 1HB LEU 27 1HB LEU 27 0.868 1.641 -14.217 211 2HB LEU 27 2HB LEU 27 1.614 2.973 -15.076 212 HG LEU 27 HG LEU 27 -0.336 2.606 -16.270 213 1HD1 LEU 27 2HD1 LEU 27 1.997 2.271 -17.564 214 2HD1 LEU 27 3HD1 LEU 27 1.203 0.733 -17.979 215 3HD1 LEU 27 1HD1 LEU 27 0.414 2.278 -18.376 216 1HD2 LEU 27 3HD2 LEU 27 -0.372 0.124 -15.072 217 2HD2 LEU 27 1HD2 LEU 27 -1.560 0.741 -16.244 218 3HD2 LEU 27 2HD2 LEU 27 -0.202 -0.268 -16.799 219 H ILE 28 H ILE 28 1.153 -0.813 -14.394 220 HA ILE 28 HA ILE 28 1.826 -2.532 -16.679 221 HB ILE 28 HB ILE 28 1.193 -3.731 -14.032 222 1HG1 ILE 28 1HG1 ILE 28 3.996 -2.793 -14.666 223 2HG1 ILE 28 2HG1 ILE 28 2.896 -1.861 -13.670 224 1HG2 ILE 28 1HG2 ILE 28 1.492 -5.035 -16.162 225 2HG2 ILE 28 2HG2 ILE 28 3.201 -4.537 -16.147 226 3HG2 ILE 28 3HG2 ILE 28 2.548 -5.523 -14.816 227 1HD1 ILE 28 3HD1 ILE 28 3.041 -4.727 -12.914 228 2HD1 ILE 28 1HD1 ILE 28 4.573 -3.841 -12.726 229 3HD1 ILE 28 2HD1 ILE 28 3.108 -3.274 -11.887 230 H LEU 29 H LEU 29 0.104 -3.224 -17.843 231 HA LEU 29 HA LEU 29 -2.515 -3.026 -16.528 232 1HB LEU 29 1HB LEU 29 -1.517 -1.650 -18.844 233 2HB LEU 29 2HB LEU 29 -2.828 -2.712 -19.318 234 HG LEU 29 HG LEU 29 -2.863 -0.263 -17.640 235 1HD1 LEU 29 3HD1 LEU 29 -4.653 -1.553 -19.697 236 2HD1 LEU 29 1HD1 LEU 29 -5.184 -0.162 -18.722 237 3HD1 LEU 29 2HD1 LEU 29 -3.766 -0.013 -19.787 238 1HD2 LEU 29 3HD2 LEU 29 -4.495 -2.708 -16.983 239 2HD2 LEU 29 1HD2 LEU 29 -3.600 -1.619 -15.895 240 3HD2 LEU 29 2HD2 LEU 29 -5.108 -1.068 -16.663 241 H HIS 30 H HIS 30 -3.690 -4.880 -16.514 242 HA HIS 30 HA HIS 30 -4.328 -6.933 -16.953 243 1HB HIS 30 1HB HIS 30 -2.902 -7.060 -19.581 244 2HB HIS 30 2HB HIS 30 -4.475 -7.687 -19.129 245 HD1 HIS 30 HD1 HIS 30 -3.380 -5.454 -21.444 246 HD2 HIS 30 HD2 HIS 30 -6.000 -4.954 -18.209 247 HE1 HIS 30 HE1 HIS 30 -4.805 -3.407 -21.988 248 HE2 HIS 30 HE2 HIS 30 -6.432 -3.183 -19.988 249 H TYR 31 H TYR 31 -1.000 -6.600 -18.391 250 HA TYR 31 HA TYR 31 0.261 -7.998 -16.339 251 1HB TYR 31 1HB TYR 31 0.284 -10.223 -17.187 252 2HB TYR 31 2HB TYR 31 -1.316 -9.723 -17.699 253 HD1 TYR 31 HD1 TYR 31 -1.839 -9.380 -20.040 254 HD2 TYR 31 HD2 TYR 31 2.146 -10.350 -18.822 255 HE1 TYR 31 HE1 TYR 31 -1.218 -9.885 -22.453 256 HE2 TYR 31 HE2 TYR 31 2.753 -10.852 -21.239 257 HH TYR 31 HH TYR 31 1.328 -9.806 -23.709 258 H LYS 32 H LYS 32 0.226 -5.915 -18.790 259 HA LYS 32 HA LYS 32 3.003 -6.496 -19.557 260 1HB LYS 32 1HB LYS 32 0.925 -5.004 -21.182 261 2HB LYS 32 2HB LYS 32 2.567 -5.371 -21.669 262 1HG LYS 32 1HG LYS 32 2.046 -7.527 -22.230 263 2HG LYS 32 2HG LYS 32 1.104 -7.775 -20.773 264 1HD LYS 32 1HD LYS 32 -0.729 -7.732 -22.122 265 2HD LYS 32 2HD LYS 32 -0.499 -5.996 -22.192 266 1HE LYS 32 1HE LYS 32 1.168 -6.505 -24.157 267 2HE LYS 32 2HE LYS 32 0.424 -8.091 -24.194 268 1HZ LYS 32 2HZ LYS 32 -1.740 -6.771 -24.261 269 2HZ LYS 32 3HZ LYS 32 -0.815 -5.503 -24.716 270 3HZ LYS 32 1HZ LYS 32 -0.847 -6.859 -25.627 271 H VAL 33 H VAL 33 3.991 -4.202 -20.405 272 HA VAL 33 HA VAL 33 3.368 -2.281 -18.268 273 HB VAL 33 HB VAL 33 6.026 -3.128 -19.430 274 1HG1 VAL 33 3HG1 VAL 33 5.358 -0.536 -18.679 275 2HG1 VAL 33 1HG1 VAL 33 6.138 -1.209 -17.227 276 3HG1 VAL 33 2HG1 VAL 33 7.000 -1.216 -18.784 277 1HG2 VAL 33 3HG2 VAL 33 4.788 -3.316 -16.669 278 2HG2 VAL 33 1HG2 VAL 33 5.325 -4.644 -17.727 279 3HG2 VAL 33 2HG2 VAL 33 6.523 -3.558 -16.982 280 H TYR 34 H TYR 34 2.867 -0.238 -18.926 281 HA TYR 34 HA TYR 34 3.433 0.388 -21.747 282 1HB TYR 34 1HB TYR 34 1.111 1.290 -19.934 283 2HB TYR 34 2HB TYR 34 1.228 1.567 -21.660 284 HD1 TYR 34 HD1 TYR 34 -0.020 0.193 -23.051 285 HD2 TYR 34 HD2 TYR 34 1.254 -1.323 -19.258 286 HE1 TYR 34 HE1 TYR 34 -1.299 -1.964 -23.475 287 HE2 TYR 34 HE2 TYR 34 -0.029 -3.475 -19.696 288 HH TYR 34 HH TYR 34 -2.151 -3.775 -22.463 289 H ASP 35 H ASP 35 3.779 2.672 -22.237 290 HA ASP 35 HA ASP 35 5.092 3.947 -20.016 291 1HB ASP 35 1HB ASP 35 5.796 3.694 -22.630 292 2HB ASP 35 2HB ASP 35 4.935 5.216 -22.740 293 H LEU 36 H LEU 36 3.357 4.853 -18.759 294 HA LEU 36 HA LEU 36 1.114 6.086 -19.879 295 1HB LEU 36 1HB LEU 36 2.418 6.198 -17.168 296 2HB LEU 36 2HB LEU 36 0.968 7.109 -17.538 297 HG LEU 36 HG LEU 36 1.333 4.130 -17.352 298 1HD1 LEU 36 3HD1 LEU 36 0.245 6.140 -15.685 299 2HD1 LEU 36 1HD1 LEU 36 -1.117 5.154 -16.268 300 3HD1 LEU 36 2HD1 LEU 36 0.251 4.379 -15.434 301 1HD2 LEU 36 3HD2 LEU 36 -0.720 5.604 -18.982 302 2HD2 LEU 36 1HD2 LEU 36 0.213 4.140 -19.380 303 3HD2 LEU 36 2HD2 LEU 36 -1.118 4.055 -18.201 304 H THR 37 H THR 37 4.383 7.263 -19.033 305 HA THR 37 HA THR 37 3.919 9.984 -19.092 306 HB THR 37 HB THR 37 6.218 8.101 -19.561 307 HG1 THR 37 HG1 THR 37 5.836 10.610 -18.095 308 1HG2 THR 37 2HG2 THR 37 6.301 11.106 -20.159 309 2HG2 THR 37 3HG2 THR 37 7.732 10.068 -19.945 310 3HG2 THR 37 1HG2 THR 37 6.641 9.805 -21.326 311 H LYS 38 H LYS 38 3.742 7.654 -21.696 312 HA LYS 38 HA LYS 38 3.988 9.735 -23.698 313 1HB LYS 38 1HB LYS 38 4.849 7.239 -23.776 314 2HB LYS 38 2HB LYS 38 3.213 6.900 -24.301 315 1HG LYS 38 1HG LYS 38 4.005 7.418 -26.385 316 2HG LYS 38 2HG LYS 38 3.780 9.079 -25.876 317 1HD LYS 38 1HD LYS 38 6.309 8.281 -24.819 318 2HD LYS 38 2HD LYS 38 6.262 7.664 -26.458 319 1HE LYS 38 1HE LYS 38 5.174 10.370 -26.402 320 2HE LYS 38 2HE LYS 38 6.746 10.354 -25.629 321 1HZ LYS 38 3HZ LYS 38 7.450 9.015 -27.645 322 2HZ LYS 38 1HZ LYS 38 6.074 9.538 -28.351 323 3HZ LYS 38 2HZ LYS 38 7.198 10.614 -27.855 324 H PHE 39 H PHE 39 1.535 7.785 -21.998 325 HA PHE 39 HA PHE 39 -0.523 9.027 -23.664 326 1HB PHE 39 1HB PHE 39 -0.440 6.507 -23.323 327 2HB PHE 39 2HB PHE 39 -0.533 6.751 -21.589 328 HD1 PHE 39 HD1 PHE 39 -2.562 5.847 -20.928 329 HD2 PHE 39 HD2 PHE 39 -2.465 8.367 -24.341 330 HE1 PHE 39 HE1 PHE 39 -5.067 5.772 -21.054 331 HE2 PHE 39 HE2 PHE 39 -4.970 8.293 -24.467 332 HZ PHE 39 HZ PHE 39 -6.242 6.996 -22.821 333 H LEU 40 H LEU 40 1.134 10.245 -21.327 334 HA LEU 40 HA LEU 40 -0.692 10.531 -19.183 335 1HB LEU 40 1HB LEU 40 1.993 11.100 -19.708 336 2HB LEU 40 2HB LEU 40 1.253 12.666 -19.443 337 HG LEU 40 HG LEU 40 0.283 11.699 -17.287 338 1HD1 LEU 40 2HD1 LEU 40 0.951 9.295 -18.183 339 2HD1 LEU 40 3HD1 LEU 40 2.470 9.667 -17.333 340 3HD1 LEU 40 1HD1 LEU 40 0.926 9.680 -16.445 341 1HD2 LEU 40 2HD2 LEU 40 3.217 12.208 -17.742 342 2HD2 LEU 40 3HD2 LEU 40 1.982 13.275 -17.032 343 3HD2 LEU 40 1HD2 LEU 40 2.573 11.866 -16.119 344 H GLU 41 H GLU 41 0.439 12.902 -21.702 345 HA GLU 41 HA GLU 41 -1.192 14.922 -21.166 346 1HB GLU 41 1HB GLU 41 0.307 14.012 -23.432 347 2HB GLU 41 2HB GLU 41 -1.251 14.543 -24.038 348 1HG GLU 41 1HG GLU 41 -0.955 16.697 -22.706 349 2HG GLU 41 2HG GLU 41 0.665 16.166 -22.300 350 H GLU 42 H GLU 42 -2.075 12.009 -23.138 351 HA GLU 42 HA GLU 42 -4.670 12.897 -23.650 352 1HB GLU 42 1HB GLU 42 -3.057 10.486 -24.102 353 2HB GLU 42 2HB GLU 42 -4.723 10.082 -23.741 354 1HG GLU 42 1HG GLU 42 -5.499 11.659 -25.516 355 2HG GLU 42 2HG GLU 42 -3.838 12.088 -25.869 356 H HIS 43 H HIS 43 -6.373 10.750 -22.943 357 HA HIS 43 HA HIS 43 -7.410 9.735 -21.250 358 1HB HIS 43 1HB HIS 43 -4.971 9.882 -20.133 359 2HB HIS 43 2HB HIS 43 -5.810 10.998 -19.075 360 HD1 HIS 43 HD1 HIS 43 -7.635 10.029 -17.483 361 HD2 HIS 43 HD2 HIS 43 -5.776 7.165 -19.921 362 HE1 HIS 43 HE1 HIS 43 -8.294 7.751 -16.541 363 HE2 HIS 43 HE2 HIS 43 -7.165 6.032 -18.112 364 HA PRO 44 HA PRO 44 -10.050 13.063 -20.400 365 1HB PRO 44 1HB PRO 44 -12.044 11.750 -19.067 366 2HB PRO 44 2HB PRO 44 -11.913 11.774 -20.815 367 1HG PRO 44 1HG PRO 44 -11.280 9.581 -18.938 368 2HG PRO 44 2HG PRO 44 -11.563 9.499 -20.665 369 1HD PRO 44 1HD PRO 44 -9.024 9.372 -19.335 370 2HD PRO 44 2HD PRO 44 -9.300 9.407 -21.066 371 H GLY 45 H GLY 45 -9.410 10.920 -17.680 372 1HA GLY 45 2HA GLY 45 -8.977 11.380 -15.524 373 2HA GLY 45 1HA GLY 45 -10.096 12.721 -15.662 374 H GLY 46 H GLY 46 -6.891 12.057 -17.248 375 1HA GLY 46 2HA GLY 46 -5.743 14.347 -15.826 376 2HA GLY 46 1HA GLY 46 -5.821 14.424 -17.574 377 H GLU 47 H GLU 47 -3.390 14.380 -15.945 378 HA GLU 47 HA GLU 47 -2.169 12.125 -17.244 379 1HB GLU 47 1HB GLU 47 -1.137 14.621 -15.870 380 2HB GLU 47 2HB GLU 47 -0.044 13.294 -16.218 381 1HG GLU 47 1HG GLU 47 -0.264 13.532 -18.548 382 2HG GLU 47 2HG GLU 47 -1.848 14.272 -18.435 383 H GLU 48 H GLU 48 -2.653 13.470 -13.926 384 HA GLU 48 HA GLU 48 -1.124 11.713 -12.534 385 1HB GLU 48 1HB GLU 48 -2.997 13.707 -11.944 386 2HB GLU 48 2HB GLU 48 -3.699 12.277 -11.213 387 1HG GLU 48 1HG GLU 48 -1.428 11.823 -10.125 388 2HG GLU 48 2HG GLU 48 -0.896 13.384 -10.723 389 H VAL 49 H VAL 49 -4.538 11.327 -13.668 390 HA VAL 49 HA VAL 49 -5.266 9.041 -12.449 391 HB VAL 49 HB VAL 49 -6.604 10.391 -14.016 392 1HG1 VAL 49 1HG1 VAL 49 -4.574 10.205 -15.770 393 2HG1 VAL 49 2HG1 VAL 49 -5.599 8.882 -16.380 394 3HG1 VAL 49 3HG1 VAL 49 -6.253 10.534 -16.262 395 1HG2 VAL 49 2HG2 VAL 49 -7.210 8.032 -13.312 396 2HG2 VAL 49 3HG2 VAL 49 -7.962 8.604 -14.820 397 3HG2 VAL 49 1HG2 VAL 49 -6.577 7.487 -14.883 398 H LEU 50 H LEU 50 -2.654 9.484 -14.757 399 HA LEU 50 HA LEU 50 -2.384 6.573 -14.972 400 1HB LEU 50 1HB LEU 50 -1.093 8.734 -16.642 401 2HB LEU 50 2HB LEU 50 -0.980 7.004 -16.898 402 HG LEU 50 HG LEU 50 -3.755 7.717 -16.847 403 1HD1 LEU 50 2HD1 LEU 50 -2.263 9.908 -17.689 404 2HD1 LEU 50 3HD1 LEU 50 -2.776 9.119 -19.199 405 3HD1 LEU 50 1HD1 LEU 50 -3.991 9.609 -17.992 406 1HD2 LEU 50 3HD2 LEU 50 -2.440 5.813 -18.008 407 2HD2 LEU 50 1HD2 LEU 50 -3.851 6.518 -18.833 408 3HD2 LEU 50 2HD2 LEU 50 -2.206 6.992 -19.321 409 H ARG 51 H ARG 51 -0.713 9.641 -14.104 410 HA ARG 51 HA ARG 51 1.710 8.429 -13.514 411 1HB ARG 51 1HB ARG 51 1.031 10.973 -13.795 412 2HB ARG 51 2HB ARG 51 0.700 10.909 -12.073 413 1HG ARG 51 1HG ARG 51 3.328 9.758 -12.950 414 2HG ARG 51 2HG ARG 51 3.158 11.495 -13.108 415 1HD ARG 51 1HD ARG 51 2.076 10.789 -10.541 416 2HD ARG 51 2HD ARG 51 3.598 9.935 -10.700 417 HE ARG 51 HE ARG 51 4.309 12.426 -11.558 418 1HH1 ARG 51 2HH1 ARG 51 4.972 14.190 -10.266 419 2HH1 ARG 51 1HH1 ARG 51 4.415 14.324 -8.632 420 1HH2 ARG 51 2HH2 ARG 51 2.492 11.373 -8.734 421 2HH2 ARG 51 1HH2 ARG 51 2.994 12.711 -7.754 422 H GLU 52 H GLU 52 -1.178 9.287 -11.507 423 HA GLU 52 HA GLU 52 -0.090 8.616 -9.067 424 1HB GLU 52 1HB GLU 52 -2.703 9.270 -10.162 425 2HB GLU 52 2HB GLU 52 -2.866 7.973 -8.995 426 1HG GLU 52 1HG GLU 52 -1.205 10.440 -8.362 427 2HG GLU 52 2HG GLU 52 -2.941 10.443 -8.129 428 H GLN 53 H GLN 53 -1.044 6.620 -11.758 429 HA GLN 53 HA GLN 53 -1.248 4.301 -10.030 430 1HB GLN 53 1HB GLN 53 -2.084 3.131 -12.046 431 2HB GLN 53 2HB GLN 53 -3.019 4.575 -11.716 432 1HG GLN 53 1HG GLN 53 -1.812 5.833 -13.442 433 2HG GLN 53 2HG GLN 53 -0.686 4.513 -13.683 434 1HE2 GLN 53 1HE2 GLN 53 -3.921 5.691 -14.177 435 2HE2 GLN 53 2HE2 GLN 53 -4.443 4.523 -15.345 436 H ALA 54 H ALA 54 0.855 5.945 -12.333 437 HA ALA 54 HA ALA 54 2.406 3.850 -13.234 438 1HB ALA 54 1HB ALA 54 2.999 6.763 -12.617 439 2HB ALA 54 2HB ALA 54 4.194 5.682 -13.372 440 3HB ALA 54 3HB ALA 54 2.652 6.018 -14.195 441 H GLY 55 H GLY 55 3.774 2.434 -12.263 442 1HA GLY 55 2HA GLY 55 4.704 3.122 -9.538 443 2HA GLY 55 1HA GLY 55 5.695 2.300 -10.728 444 H GLY 56 H GLY 56 3.195 0.803 -11.756 445 1HA GLY 56 2HA GLY 56 2.392 -0.841 -9.520 446 2HA GLY 56 1HA GLY 56 3.525 -1.619 -10.607 447 H ASP 57 H ASP 57 1.387 -3.021 -10.713 448 HA ASP 57 HA ASP 57 0.351 -2.613 -13.261 449 1HB ASP 57 1HB ASP 57 0.263 -4.852 -12.677 450 2HB ASP 57 2HB ASP 57 -0.064 -4.508 -10.990 451 H ALA 58 H ALA 58 -1.213 -1.082 -13.795 452 HA ALA 58 HA ALA 58 -2.871 0.013 -11.700 453 1HB ALA 58 3HB ALA 58 -1.644 1.091 -13.874 454 2HB ALA 58 1HB ALA 58 -3.265 0.788 -14.548 455 3HB ALA 58 2HB ALA 58 -3.080 1.806 -13.099 456 H THR 59 H THR 59 -2.965 -2.608 -13.920 457 HA THR 59 HA THR 59 -5.508 -2.692 -14.875 458 HB THR 59 HB THR 59 -3.330 -4.390 -14.718 459 HG1 THR 59 HG1 THR 59 -5.477 -4.080 -16.101 460 1HG2 THR 59 3HG2 THR 59 -4.143 -5.294 -12.490 461 2HG2 THR 59 1HG2 THR 59 -5.678 -5.732 -13.277 462 3HG2 THR 59 2HG2 THR 59 -4.162 -6.516 -13.785 463 H GLU 60 H GLU 60 -4.457 -3.746 -11.572 464 HA GLU 60 HA GLU 60 -6.766 -4.688 -10.643 465 1HB GLU 60 1HB GLU 60 -4.365 -3.529 -9.513 466 2HB GLU 60 2HB GLU 60 -5.739 -3.002 -8.563 467 1HG GLU 60 1HG GLU 60 -6.091 -5.807 -9.188 468 2HG GLU 60 2HG GLU 60 -4.466 -5.584 -8.569 469 H ASN 61 H ASN 61 -5.958 -1.271 -11.294 470 HA ASN 61 HA ASN 61 -8.420 -0.422 -10.073 471 1HB ASN 61 1HB ASN 61 -5.895 0.781 -10.562 472 2HB ASN 61 2HB ASN 61 -6.986 1.608 -11.654 473 1HD2 ASN 61 1HD2 ASN 61 -5.691 1.651 -8.656 474 2HD2 ASN 61 2HD2 ASN 61 -6.872 2.566 -7.780 475 H PHE 62 H PHE 62 -6.707 -0.211 -13.288 476 HA PHE 62 HA PHE 62 -8.714 0.894 -14.766 477 1HB PHE 62 1HB PHE 62 -6.907 0.565 -16.179 478 2HB PHE 62 2HB PHE 62 -6.235 -0.625 -15.083 479 HD1 PHE 62 HD1 PHE 62 -7.378 -0.133 -18.320 480 HD2 PHE 62 HD2 PHE 62 -7.528 -2.985 -15.181 481 HE1 PHE 62 HE1 PHE 62 -7.864 -1.944 -19.988 482 HE2 PHE 62 HE2 PHE 62 -8.015 -4.795 -16.849 483 HZ PHE 62 HZ PHE 62 -8.176 -4.254 -19.233 484 H GLU 63 H GLU 63 -8.721 -2.180 -13.186 485 HA GLU 63 HA GLU 63 -10.453 -3.425 -15.075 486 1HB GLU 63 1HB GLU 63 -9.182 -4.157 -12.460 487 2HB GLU 63 2HB GLU 63 -10.658 -5.006 -12.875 488 1HG GLU 63 1HG GLU 63 -8.362 -4.744 -14.857 489 2HG GLU 63 2HG GLU 63 -8.413 -6.041 -13.681 490 H ASP 64 H ASP 64 -10.716 -1.775 -11.885 491 HA ASP 64 HA ASP 64 -13.406 -2.390 -11.511 492 1HB ASP 64 1HB ASP 64 -11.380 -1.103 -10.079 493 2HB ASP 64 2HB ASP 64 -12.490 0.210 -10.418 494 H VAL 65 H VAL 65 -11.592 0.291 -13.092 495 HA VAL 65 HA VAL 65 -13.934 1.869 -13.546 496 HB VAL 65 HB VAL 65 -12.234 3.307 -13.524 497 1HG1 VAL 65 2HG1 VAL 65 -10.449 0.993 -14.319 498 2HG1 VAL 65 3HG1 VAL 65 -9.850 2.657 -14.125 499 3HG1 VAL 65 1HG1 VAL 65 -10.570 1.803 -12.739 500 1HG2 VAL 65 1HG2 VAL 65 -12.979 3.435 -15.868 501 2HG2 VAL 65 2HG2 VAL 65 -11.253 3.840 -15.705 502 3HG2 VAL 65 3HG2 VAL 65 -11.739 2.244 -16.326 503 H GLY 66 H GLY 66 -13.058 -1.088 -14.714 504 1HA GLY 66 2HA GLY 66 -14.863 -1.468 -16.608 505 2HA GLY 66 1HA GLY 66 -13.258 -2.162 -16.720 506 H HIS 67 H HIS 67 -11.511 -0.784 -17.784 507 HA HIS 67 HA HIS 67 -12.193 1.464 -19.277 508 1HB HIS 67 1HB HIS 67 -9.920 -0.498 -19.298 509 2HB HIS 67 2HB HIS 67 -10.047 0.686 -20.584 510 HD1 HIS 67 HD1 HIS 67 -9.299 0.351 -16.919 511 HD2 HIS 67 HD2 HIS 67 -9.585 3.382 -19.804 512 HE1 HIS 67 HE1 HIS 67 -8.274 2.438 -15.867 513 HE2 HIS 67 HE2 HIS 67 -8.429 4.252 -17.708 514 H SER 68 H SER 68 -11.667 1.332 -21.862 515 HA SER 68 HA SER 68 -13.628 -0.595 -22.807 516 1HB SER 68 1HB SER 68 -14.245 0.938 -24.456 517 2HB SER 68 2HB SER 68 -13.808 2.010 -23.141 518 HG SER 68 HG SER 68 -12.779 2.787 -24.999 519 H THR 69 H THR 69 -13.205 -1.691 -24.913 520 HA THR 69 HA THR 69 -10.715 -2.880 -25.032 521 HB THR 69 HB THR 69 -11.590 -3.506 -27.401 522 HG1 THR 69 HG1 THR 69 -13.950 -2.750 -27.473 523 1HG2 THR 69 3HG2 THR 69 -12.307 -4.569 -25.012 524 2HG2 THR 69 1HG2 THR 69 -13.867 -3.838 -25.453 525 3HG2 THR 69 2HG2 THR 69 -13.118 -5.045 -26.523 526 H ASP 70 H ASP 70 -11.847 0.175 -26.454 527 HA ASP 70 HA ASP 70 -9.806 0.414 -28.313 528 1HB ASP 70 1HB ASP 70 -11.859 1.815 -28.289 529 2HB ASP 70 2HB ASP 70 -11.358 2.553 -26.780 530 H ALA 71 H ALA 71 -10.245 1.729 -24.943 531 HA ALA 71 HA ALA 71 -7.910 3.129 -24.701 532 1HB ALA 71 3HB ALA 71 -8.753 1.526 -22.340 533 2HB ALA 71 2HB ALA 71 -10.024 2.516 -23.096 534 3HB ALA 71 1HB ALA 71 -8.529 3.283 -22.509 535 H ARG 72 H ARG 72 -8.498 -0.403 -24.172 536 HA ARG 72 HA ARG 72 -5.939 -0.947 -23.294 537 1HB ARG 72 1HB ARG 72 -7.748 -2.837 -24.877 538 2HB ARG 72 2HB ARG 72 -6.501 -3.299 -23.736 539 1HG ARG 72 1HG ARG 72 -7.779 -2.139 -21.903 540 2HG ARG 72 2HG ARG 72 -9.041 -1.744 -23.052 541 1HD ARG 72 1HD ARG 72 -8.533 -4.564 -23.306 542 2HD ARG 72 2HD ARG 72 -8.643 -4.218 -21.593 543 HE ARG 72 HE ARG 72 -10.770 -2.860 -22.973 544 1HH1 ARG 72 2HH1 ARG 72 -12.906 -3.669 -22.862 545 2HH1 ARG 72 1HH1 ARG 72 -13.183 -5.316 -22.400 546 1HH2 ARG 72 2HH2 ARG 72 -9.772 -6.085 -21.982 547 2HH2 ARG 72 1HH2 ARG 72 -11.389 -6.700 -21.897 548 H GLU 73 H GLU 73 -7.413 -0.801 -26.572 549 HA GLU 73 HA GLU 73 -5.259 -1.946 -27.912 550 1HB GLU 73 1HB GLU 73 -7.808 -1.056 -28.578 551 2HB GLU 73 2HB GLU 73 -6.787 0.096 -29.417 552 1HG GLU 73 1HG GLU 73 -5.545 -1.753 -30.508 553 2HG GLU 73 2HG GLU 73 -6.477 -2.938 -29.613 554 H LEU 74 H LEU 74 -6.151 1.491 -27.201 555 HA LEU 74 HA LEU 74 -4.067 2.672 -28.601 556 1HB LEU 74 1HB LEU 74 -5.053 4.515 -27.907 557 2HB LEU 74 2HB LEU 74 -6.217 3.491 -27.092 558 HG LEU 74 HG LEU 74 -4.323 3.582 -25.175 559 1HD1 LEU 74 1HD1 LEU 74 -3.749 5.844 -26.990 560 2HD1 LEU 74 2HD1 LEU 74 -3.850 6.246 -25.261 561 3HD1 LEU 74 3HD1 LEU 74 -2.703 5.006 -25.819 562 1HD2 LEU 74 3HD2 LEU 74 -6.857 4.849 -25.697 563 2HD2 LEU 74 1HD2 LEU 74 -6.158 4.299 -24.155 564 3HD2 LEU 74 2HD2 LEU 74 -5.810 5.937 -24.756 565 H SER 75 H SER 75 -4.221 1.225 -25.325 566 HA SER 75 HA SER 75 -1.771 2.202 -24.471 567 1HB SER 75 1HB SER 75 -1.972 0.642 -22.668 568 2HB SER 75 2HB SER 75 -3.610 1.119 -23.071 569 HG SER 75 HG SER 75 -2.999 -1.016 -24.620 570 H LYS 76 H LYS 76 -2.727 -0.567 -26.504 571 HA LYS 76 HA LYS 76 -0.343 -2.015 -26.326 572 1HB LYS 76 1HB LYS 76 -2.829 -2.189 -27.684 573 2HB LYS 76 2HB LYS 76 -1.583 -2.292 -28.911 574 1HG LYS 76 1HG LYS 76 -0.409 -4.029 -27.428 575 2HG LYS 76 2HG LYS 76 -1.839 -4.025 -26.415 576 1HD LYS 76 1HD LYS 76 -3.118 -5.164 -27.964 577 2HD LYS 76 2HD LYS 76 -2.377 -4.355 -29.332 578 1HE LYS 76 1HE LYS 76 -0.508 -5.828 -29.361 579 2HE LYS 76 2HE LYS 76 -0.757 -6.339 -27.704 580 1HZ LYS 76 1HZ LYS 76 -3.037 -7.083 -28.825 581 2HZ LYS 76 2HZ LYS 76 -2.031 -7.267 -30.096 582 3HZ LYS 76 3HZ LYS 76 -1.733 -8.059 -28.700 583 H THR 77 H THR 77 -1.063 1.069 -27.714 584 HA THR 77 HA THR 77 1.120 0.901 -29.632 585 HB THR 77 HB THR 77 0.158 2.873 -30.529 586 HG1 THR 77 HG1 THR 77 -1.264 4.144 -28.957 587 1HG2 THR 77 1HG2 THR 77 -1.607 0.958 -30.353 588 2HG2 THR 77 2HG2 THR 77 -2.259 1.863 -28.967 589 3HG2 THR 77 3HG2 THR 77 -2.232 2.609 -30.582 590 H PHE 78 H PHE 78 0.558 1.795 -26.321 591 HA PHE 78 HA PHE 78 3.025 3.372 -26.341 592 1HB PHE 78 1HB PHE 78 0.605 3.027 -24.489 593 2HB PHE 78 2HB PHE 78 2.062 3.803 -23.901 594 HD1 PHE 78 HD1 PHE 78 2.935 5.511 -26.030 595 HD2 PHE 78 HD2 PHE 78 -1.030 4.612 -24.816 596 HE1 PHE 78 HE1 PHE 78 2.149 7.702 -26.974 597 HE2 PHE 78 HE2 PHE 78 -1.816 6.802 -25.759 598 HZ PHE 78 HZ PHE 78 -0.216 8.321 -26.826 599 H ILE 79 H ILE 79 1.965 0.212 -25.894 600 HA ILE 79 HA ILE 79 3.125 -0.555 -23.501 601 HB ILE 79 HB ILE 79 2.261 -1.852 -26.010 602 1HG1 ILE 79 1HG1 ILE 79 1.705 -2.049 -23.067 603 2HG1 ILE 79 2HG1 ILE 79 0.597 -1.764 -24.395 604 1HG2 ILE 79 1HG2 ILE 79 4.469 -2.851 -25.779 605 2HG2 ILE 79 2HG2 ILE 79 4.127 -3.261 -24.080 606 3HG2 ILE 79 3HG2 ILE 79 3.197 -4.033 -25.387 607 1HD1 ILE 79 3HD1 ILE 79 1.200 -4.168 -25.192 608 2HD1 ILE 79 1HD1 ILE 79 1.898 -4.380 -23.569 609 3HD1 ILE 79 2HD1 ILE 79 0.167 -4.012 -23.750 610 H ILE 80 H ILE 80 5.190 -0.711 -22.787 611 HA ILE 80 HA ILE 80 7.279 -0.377 -24.817 612 HB ILE 80 HB ILE 80 8.546 0.173 -22.531 613 1HG1 ILE 80 1HG1 ILE 80 5.786 1.267 -21.967 614 2HG1 ILE 80 2HG1 ILE 80 6.337 -0.254 -21.289 615 1HG2 ILE 80 1HG2 ILE 80 8.125 1.528 -24.700 616 2HG2 ILE 80 2HG2 ILE 80 6.840 2.322 -23.758 617 3HG2 ILE 80 3HG2 ILE 80 8.526 2.393 -23.196 618 1HD1 ILE 80 2HD1 ILE 80 8.471 1.582 -20.865 619 2HD1 ILE 80 3HD1 ILE 80 6.977 2.453 -20.448 620 3HD1 ILE 80 1HD1 ILE 80 7.363 0.912 -19.643 621 H GLY 81 H GLY 81 5.959 -2.424 -22.251 622 1HA GLY 81 2HA GLY 81 8.101 -4.015 -21.590 623 2HA GLY 81 1HA GLY 81 7.534 -4.642 -23.127 624 H GLU 82 H GLU 82 7.435 -5.959 -20.480 625 HA GLU 82 HA GLU 82 4.683 -5.817 -19.714 626 1HB GLU 82 1HB GLU 82 5.598 -8.565 -20.542 627 2HB GLU 82 2HB GLU 82 3.970 -7.928 -20.429 628 1HG GLU 82 1HG GLU 82 4.362 -6.507 -22.433 629 2HG GLU 82 2HG GLU 82 6.017 -7.075 -22.531 630 H LEU 83 H LEU 83 4.245 -7.320 -17.801 631 HA LEU 83 HA LEU 83 6.423 -7.122 -16.000 632 1HB LEU 83 1HB LEU 83 3.894 -6.926 -15.582 633 2HB LEU 83 2HB LEU 83 3.884 -8.678 -15.558 634 HG LEU 83 HG LEU 83 4.239 -8.478 -13.363 635 1HD1 LEU 83 3HD1 LEU 83 6.422 -9.288 -14.081 636 2HD1 LEU 83 1HD1 LEU 83 7.014 -7.615 -14.227 637 3HD1 LEU 83 2HD1 LEU 83 6.569 -8.267 -12.631 638 1HD2 LEU 83 1HD2 LEU 83 4.377 -5.700 -14.070 639 2HD2 LEU 83 2HD2 LEU 83 3.880 -6.454 -12.536 640 3HD2 LEU 83 3HD2 LEU 83 5.591 -6.055 -12.819 641 H HIS 84 H HIS 84 8.102 -8.489 -15.766 642 HA HIS 84 HA HIS 84 8.187 -10.887 -17.239 643 1HB HIS 84 1HB HIS 84 9.997 -9.189 -15.897 644 2HB HIS 84 2HB HIS 84 10.159 -10.753 -15.123 645 HD1 HIS 84 HD1 HIS 84 12.630 -10.452 -16.366 646 HD2 HIS 84 HD2 HIS 84 9.320 -11.350 -18.783 647 HE1 HIS 84 HE1 HIS 84 13.571 -11.352 -18.561 648 HE2 HIS 84 HE2 HIS 84 11.490 -11.937 -19.984 649 HA PRO 85 HA PRO 85 7.019 -13.839 -14.269 650 1HB PRO 85 1HB PRO 85 9.064 -15.624 -13.959 651 2HB PRO 85 2HB PRO 85 7.987 -15.631 -15.341 652 1HG PRO 85 1HG PRO 85 10.788 -14.701 -15.178 653 2HG PRO 85 2HG PRO 85 9.849 -15.111 -16.599 654 1HD PRO 85 1HD PRO 85 10.483 -12.474 -15.665 655 2HD PRO 85 2HD PRO 85 9.448 -12.885 -17.017 656 H ASP 86 H ASP 86 8.935 -11.511 -13.351 657 HA ASP 86 HA ASP 86 9.839 -12.554 -10.889 658 1HB ASP 86 1HB ASP 86 11.125 -10.711 -11.289 659 2HB ASP 86 2HB ASP 86 9.939 -10.020 -12.379 660 H ASP 87 H ASP 87 6.882 -11.122 -12.172 661 HA ASP 87 HA ASP 87 5.413 -11.740 -9.931 662 1HB ASP 87 1HB ASP 87 6.464 -8.916 -10.075 663 2HB ASP 87 2HB ASP 87 4.812 -9.141 -9.532 664 H ARG 88 H ARG 88 5.058 -12.255 -12.610 665 HA ARG 88 HA ARG 88 3.356 -10.193 -13.677 666 1HB ARG 88 1HB ARG 88 3.338 -11.655 -15.732 667 2HB ARG 88 2HB ARG 88 4.958 -11.213 -15.229 668 1HG ARG 88 1HG ARG 88 5.038 -13.437 -13.934 669 2HG ARG 88 2HG ARG 88 3.546 -13.871 -14.745 670 1HD ARG 88 1HD ARG 88 4.819 -13.297 -16.966 671 2HD ARG 88 2HD ARG 88 6.274 -13.366 -15.992 672 HE ARG 88 HE ARG 88 5.037 -15.722 -15.321 673 1HH1 ARG 88 2HH1 ARG 88 5.243 -17.717 -16.417 674 2HH1 ARG 88 1HH1 ARG 88 5.625 -17.741 -18.107 675 1HH2 ARG 88 2HH2 ARG 88 5.771 -14.236 -18.424 676 2HH2 ARG 88 1HH2 ARG 88 5.927 -15.747 -19.256 677 H SER 89 H SER 89 3.277 -13.731 -12.852 678 HA SER 89 HA SER 89 0.529 -13.956 -13.377 679 1HB SER 89 1HB SER 89 0.746 -16.185 -12.340 680 2HB SER 89 2HB SER 89 2.065 -15.888 -13.454 681 HG SER 89 HG SER 89 3.025 -14.983 -11.185 682 H LYS 90 H LYS 90 2.192 -12.306 -10.960 683 HA LYS 90 HA LYS 90 0.313 -12.954 -8.842 684 1HB LYS 90 1HB LYS 90 3.021 -11.960 -9.003 685 2HB LYS 90 2HB LYS 90 2.040 -10.851 -8.068 686 1HG LYS 90 1HG LYS 90 1.853 -12.313 -6.330 687 2HG LYS 90 2HG LYS 90 1.419 -13.641 -7.389 688 1HD LYS 90 1HD LYS 90 3.776 -14.073 -7.918 689 2HD LYS 90 2HD LYS 90 4.282 -12.634 -7.056 690 1HE LYS 90 1HE LYS 90 2.665 -14.272 -5.281 691 2HE LYS 90 2HE LYS 90 3.910 -15.275 -6.001 692 1HZ LYS 90 3HZ LYS 90 5.347 -13.188 -5.400 693 2HZ LYS 90 1HZ LYS 90 4.195 -12.988 -4.259 694 3HZ LYS 90 2HZ LYS 90 5.062 -14.371 -4.313 695 H ILE 91 H ILE 91 0.658 -10.800 -11.514 696 HA ILE 91 HA ILE 91 -1.363 -9.042 -10.303 697 HB ILE 91 HB ILE 91 -0.431 -7.181 -11.276 698 1HG1 ILE 91 1HG1 ILE 91 1.210 -8.960 -13.105 699 2HG1 ILE 91 2HG1 ILE 91 -0.248 -8.098 -13.557 700 1HG2 ILE 91 1HG2 ILE 91 1.226 -8.832 -9.724 701 2HG2 ILE 91 2HG2 ILE 91 2.267 -8.179 -11.012 702 3HG2 ILE 91 3HG2 ILE 91 1.352 -7.072 -9.959 703 1HD1 ILE 91 1HD1 ILE 91 1.601 -6.254 -12.274 704 2HD1 ILE 91 2HD1 ILE 91 2.417 -7.112 -13.604 705 3HD1 ILE 91 3HD1 ILE 91 0.922 -6.196 -13.919 706 H THR 92 H THR 92 -0.204 -10.907 -13.117 707 HA THR 92 HA THR 92 -1.780 -10.208 -15.139 708 HB THR 92 HB THR 92 -0.171 -12.232 -14.822 709 HG1 THR 92 HG1 THR 92 -2.196 -11.592 -16.478 710 1HG2 THR 92 2HG2 THR 92 -2.862 -13.510 -14.102 711 2HG2 THR 92 3HG2 THR 92 -1.380 -14.403 -14.513 712 3HG2 THR 92 1HG2 THR 92 -1.444 -13.422 -13.030 713 H LYS 93 H LYS 93 -2.925 -11.824 -12.153 714 HA LYS 93 HA LYS 93 -5.646 -11.597 -13.222 715 1HB LYS 93 1HB LYS 93 -4.819 -13.860 -12.522 716 2HB LYS 93 2HB LYS 93 -4.667 -13.258 -10.884 717 1HG LYS 93 1HG LYS 93 -7.244 -12.456 -11.526 718 2HG LYS 93 2HG LYS 93 -7.115 -13.956 -12.421 719 1HD LYS 93 1HD LYS 93 -6.052 -14.827 -10.098 720 2HD LYS 93 2HD LYS 93 -6.996 -13.503 -9.443 721 1HE LYS 93 1HE LYS 93 -9.060 -14.408 -10.444 722 2HE LYS 93 2HE LYS 93 -8.153 -15.658 -11.273 723 1HZ LYS 93 2HZ LYS 93 -8.212 -15.367 -8.352 724 2HZ LYS 93 3HZ LYS 93 -9.185 -16.379 -9.187 725 3HZ LYS 93 1HZ LYS 93 -7.568 -16.607 -9.197 726 HA PRO 94 HA PRO 94 -6.050 -8.256 -10.461 727 1HB PRO 94 1HB PRO 94 -8.620 -7.576 -11.092 728 2HB PRO 94 2HB PRO 94 -7.231 -7.021 -12.005 729 1HG PRO 94 1HG PRO 94 -9.207 -9.100 -12.719 730 2HG PRO 94 2HG PRO 94 -8.091 -8.241 -13.761 731 1HD PRO 94 1HD PRO 94 -7.823 -10.933 -12.808 732 2HD PRO 94 2HD PRO 94 -6.652 -10.035 -13.754 733 H SER 95 H SER 95 -9.213 -9.803 -10.635 734 HA SER 95 HA SER 95 -9.029 -11.256 -8.361 735 1HB SER 95 1HB SER 95 -10.359 -9.670 -6.773 736 2HB SER 95 2HB SER 95 -8.627 -9.451 -6.910 737 HG SER 95 HG SER 95 -9.542 -7.404 -7.117 738 H GLU 96 H GLU 96 -11.349 -8.632 -9.382 739 HA GLU 96 HA GLU 96 -13.353 -8.709 -10.221 740 1HB GLU 96 1HB GLU 96 -13.690 -10.189 -11.905 741 2HB GLU 96 2HB GLU 96 -12.136 -10.871 -11.467 742 1HG GLU 96 1HG GLU 96 -13.409 -12.337 -9.761 743 2HG GLU 96 2HG GLU 96 -14.887 -11.794 -10.530 744 H SER 97 H SER 97 -15.462 -8.910 -9.367 745 HA SER 97 HA SER 97 -16.387 -10.986 -7.880 746 1HB SER 97 1HB SER 97 -14.846 -10.712 -6.115 747 2HB SER 97 2HB SER 97 -14.851 -8.964 -6.241 748 HG SER 97 HG SER 97 -16.663 -8.822 -5.036 749 H ILE 98 H ILE 98 -18.508 -10.437 -6.820 750 HA ILE 98 HA ILE 98 -19.500 -7.827 -6.796 751 HB ILE 98 HB ILE 98 -19.222 -8.225 -9.288 752 1HG1 ILE 98 1HG1 ILE 98 -21.670 -7.353 -9.682 753 2HG1 ILE 98 2HG1 ILE 98 -21.749 -7.329 -7.932 754 1HG2 ILE 98 3HG2 ILE 98 -20.166 -10.620 -9.054 755 2HG2 ILE 98 1HG2 ILE 98 -21.761 -9.830 -9.089 756 3HG2 ILE 98 2HG2 ILE 98 -20.645 -9.641 -10.463 757 1HD1 ILE 98 2HD1 ILE 98 -19.352 -6.114 -8.219 758 2HD1 ILE 98 3HD1 ILE 98 -20.072 -5.669 -9.785 759 3HD1 ILE 98 1HD1 ILE 98 -20.886 -5.210 -8.270 760 H ILE 99 H ILE 99 -21.413 -7.775 -5.626 761 HA ILE 99 HA ILE 99 -22.801 -10.320 -5.283 762 HB ILE 99 HB ILE 99 -21.075 -10.069 -3.502 763 1HG1 ILE 99 1HG1 ILE 99 -23.628 -9.929 -2.020 764 2HG1 ILE 99 2HG1 ILE 99 -23.626 -11.043 -3.372 765 1HG2 ILE 99 2HG2 ILE 99 -21.295 -7.559 -3.360 766 2HG2 ILE 99 3HG2 ILE 99 -22.803 -7.821 -2.449 767 3HG2 ILE 99 1HG2 ILE 99 -21.257 -8.423 -1.804 768 1HD1 ILE 99 2HD1 ILE 99 -21.434 -12.000 -2.473 769 2HD1 ILE 99 3HD1 ILE 99 -21.690 -11.004 -1.018 770 3HD1 ILE 99 1HD1 ILE 99 -22.859 -12.277 -1.444 771 H THR 100 H THR 100 -25.018 -10.054 -4.491 772 HA THR 100 HA THR 100 -26.024 -7.330 -4.439 773 HB THR 100 HB THR 100 -27.672 -7.851 -6.257 774 HG1 THR 100 HG1 THR 100 -27.292 -9.910 -7.355 775 1HG2 THR 100 3HG2 THR 100 -25.266 -6.947 -6.807 776 2HG2 THR 100 1HG2 THR 100 -24.922 -8.616 -7.323 777 3HG2 THR 100 2HG2 THR 100 -26.199 -7.680 -8.135 778 H THR 101 H THR 101 -28.605 -7.541 -4.194 779 HA THR 101 HA THR 101 -29.461 -9.874 -2.801 780 HB THR 101 HB THR 101 -28.046 -8.966 -1.016 781 HG1 THR 101 HG1 THR 101 -30.395 -9.638 -0.672 782 1HG2 THR 101 2HG2 THR 101 -28.924 -6.407 -2.080 783 2HG2 THR 101 3HG2 THR 101 -29.429 -6.531 -0.378 784 3HG2 THR 101 1HG2 THR 101 -27.712 -6.715 -0.813 785 H ILE 102 H ILE 102 -31.308 -9.989 -3.969 786 HA ILE 102 HA ILE 102 -33.092 -9.149 -5.105 787 HB ILE 102 HB ILE 102 -34.054 -10.139 -3.228 788 1HG1 ILE 102 1HG1 ILE 102 -35.623 -7.848 -2.599 789 2HG1 ILE 102 2HG1 ILE 102 -35.176 -7.718 -4.288 790 1HG2 ILE 102 1HG2 ILE 102 -32.637 -8.045 -1.755 791 2HG2 ILE 102 2HG2 ILE 102 -34.289 -8.331 -1.157 792 3HG2 ILE 102 3HG2 ILE 102 -33.130 -9.679 -1.249 793 1HD1 ILE 102 3HD1 ILE 102 -36.394 -10.208 -3.005 794 2HD1 ILE 102 1HD1 ILE 102 -37.289 -9.011 -3.971 795 3HD1 ILE 102 2HD1 ILE 102 -36.018 -9.997 -4.732 796 H ASP 103 H ASP 103 -33.869 -6.747 -2.696 797 HA ASP 103 HA ASP 103 -33.921 -4.578 -2.710 798 1HB ASP 103 1HB ASP 103 -31.418 -4.806 -3.221 799 2HB ASP 103 2HB ASP 103 -31.811 -4.602 -4.916 800 H SER 104 H SER 104 -35.062 -2.871 -3.901 801 HA SER 104 HA SER 104 -36.438 -2.078 -5.380 802 1HB SER 104 1HB SER 104 -35.755 -1.938 -7.629 803 2HB SER 104 2HB SER 104 -34.249 -2.216 -6.778 804 HG SER 104 HG SER 104 -34.528 -4.540 -7.279 No H/Q in entry = 804 Start of MODEL 37 1 H ALA 1 H ALA 1 29.465 3.783 -35.023 2 HA ALA 1 HA ALA 1 32.082 2.489 -35.381 3 1HB ALA 1 1HB ALA 1 31.192 4.904 -33.813 4 2HB ALA 1 2HB ALA 1 32.557 3.928 -33.220 5 3HB ALA 1 3HB ALA 1 32.636 4.683 -34.830 6 H GLU 2 H GLU 2 29.520 3.256 -32.911 7 HA GLU 2 HA GLU 2 30.022 0.580 -31.863 8 1HB GLU 2 1HB GLU 2 30.196 3.058 -30.530 9 2HB GLU 2 2HB GLU 2 28.662 2.395 -30.002 10 1HG GLU 2 1HG GLU 2 30.057 0.152 -29.683 11 2HG GLU 2 2HG GLU 2 31.439 1.231 -29.672 12 H GLU 3 H GLU 3 28.053 -0.468 -30.821 13 HA GLU 3 HA GLU 3 25.664 0.404 -32.252 14 1HB GLU 3 1HB GLU 3 24.986 -1.954 -32.394 15 2HB GLU 3 2HB GLU 3 26.563 -1.733 -33.128 16 1HG GLU 3 1HG GLU 3 27.665 -2.928 -31.477 17 2HG GLU 3 2HG GLU 3 26.580 -2.392 -30.207 18 H SER 4 H SER 4 23.607 -0.765 -31.091 19 HA SER 4 HA SER 4 23.795 -1.210 -28.361 20 1HB SER 4 1HB SER 4 24.151 1.427 -28.719 21 2HB SER 4 2HB SER 4 22.402 1.422 -28.818 22 HG SER 4 HG SER 4 23.839 1.460 -26.602 23 H SER 5 H SER 5 21.421 -1.092 -27.353 24 HA SER 5 HA SER 5 19.364 -1.175 -29.324 25 1HB SER 5 1HB SER 5 20.711 -3.596 -28.681 26 2HB SER 5 2HB SER 5 19.182 -3.671 -27.828 27 HG SER 5 HG SER 5 19.407 -2.996 -30.635 28 H LYS 6 H LYS 6 17.200 -1.984 -28.081 29 HA LYS 6 HA LYS 6 17.161 -1.707 -25.283 30 1HB LYS 6 1HB LYS 6 17.178 0.773 -26.768 31 2HB LYS 6 2HB LYS 6 15.644 0.586 -25.942 32 1HG LYS 6 1HG LYS 6 17.020 -0.053 -23.839 33 2HG LYS 6 2HG LYS 6 18.432 0.513 -24.711 34 1HD LYS 6 1HD LYS 6 17.103 2.718 -25.101 35 2HD LYS 6 2HD LYS 6 15.984 2.126 -23.888 36 1HE LYS 6 1HE LYS 6 17.537 2.318 -22.149 37 2HE LYS 6 2HE LYS 6 18.915 2.059 -23.200 38 1HZ LYS 6 2HZ LYS 6 17.278 4.466 -23.457 39 2HZ LYS 6 3HZ LYS 6 18.483 4.386 -22.359 40 3HZ LYS 6 1HZ LYS 6 18.816 4.226 -23.949 41 H ALA 7 H ALA 7 15.431 -2.880 -24.645 42 HA ALA 7 HA ALA 7 12.892 -2.599 -25.806 43 1HB ALA 7 3HB ALA 7 13.058 -3.955 -27.592 44 2HB ALA 7 2HB ALA 7 13.316 -5.308 -26.464 45 3HB ALA 7 1HB ALA 7 14.712 -4.435 -27.140 46 H VAL 8 H VAL 8 12.398 -2.357 -23.569 47 HA VAL 8 HA VAL 8 13.175 -3.829 -21.477 48 HB VAL 8 HB VAL 8 11.761 -2.143 -20.921 49 1HG1 VAL 8 1HG1 VAL 8 10.501 -2.770 -23.477 50 2HG1 VAL 8 2HG1 VAL 8 9.306 -2.357 -22.223 51 3HG1 VAL 8 3HG1 VAL 8 10.620 -1.219 -22.611 52 1HG2 VAL 8 2HG2 VAL 8 10.040 -4.635 -20.903 53 2HG2 VAL 8 3HG2 VAL 8 10.999 -3.944 -19.571 54 3HG2 VAL 8 1HG2 VAL 8 9.537 -3.104 -20.146 55 H LYS 9 H LYS 9 10.109 -4.660 -23.246 56 HA LYS 9 HA LYS 9 9.262 -6.622 -23.834 57 1HB LYS 9 1HB LYS 9 12.091 -7.197 -23.751 58 2HB LYS 9 2HB LYS 9 11.191 -8.586 -23.180 59 1HG LYS 9 1HG LYS 9 9.637 -7.966 -25.311 60 2HG LYS 9 2HG LYS 9 11.139 -7.265 -25.883 61 1HD LYS 9 1HD LYS 9 12.102 -9.654 -25.003 62 2HD LYS 9 2HD LYS 9 10.459 -10.144 -25.363 63 1HE LYS 9 1HE LYS 9 10.652 -9.568 -27.670 64 2HE LYS 9 2HE LYS 9 12.037 -8.530 -27.393 65 1HZ LYS 9 3HZ LYS 9 12.944 -10.861 -26.518 66 2HZ LYS 9 1HZ LYS 9 11.942 -11.375 -27.699 67 3HZ LYS 9 2HZ LYS 9 13.146 -10.328 -28.049 68 H TYR 10 H TYR 10 11.345 -7.149 -20.899 69 HA TYR 10 HA TYR 10 8.884 -7.818 -19.455 70 1HB TYR 10 1HB TYR 10 11.042 -9.417 -18.466 71 2HB TYR 10 2HB TYR 10 9.677 -10.003 -19.395 72 HD1 TYR 10 HD1 TYR 10 9.945 -10.759 -21.638 73 HD2 TYR 10 HD2 TYR 10 13.150 -8.701 -19.687 74 HE1 TYR 10 HE1 TYR 10 11.519 -11.399 -23.530 75 HE2 TYR 10 HE2 TYR 10 14.712 -9.350 -21.584 76 HH TYR 10 HH TYR 10 13.792 -11.661 -23.966 77 H TYR 11 H TYR 11 8.729 -6.741 -17.545 78 HA TYR 11 HA TYR 11 11.241 -5.774 -16.361 79 1HB TYR 11 1HB TYR 11 8.741 -4.437 -17.336 80 2HB TYR 11 2HB TYR 11 9.163 -3.973 -15.700 81 HD1 TYR 11 HD1 TYR 11 9.126 -2.293 -18.347 82 HD2 TYR 11 HD2 TYR 11 12.236 -4.213 -16.123 83 HE1 TYR 11 HE1 TYR 11 10.814 -0.622 -19.253 84 HE2 TYR 11 HE2 TYR 11 13.914 -2.535 -17.036 85 HH TYR 11 HH TYR 11 13.255 0.240 -18.162 86 H THR 12 H THR 12 10.861 -5.063 -13.994 87 HA THR 12 HA THR 12 9.091 -7.063 -12.757 88 HB THR 12 HB THR 12 10.710 -7.059 -10.929 89 HG1 THR 12 HG1 THR 12 12.496 -5.441 -11.164 90 1HG2 THR 12 1HG2 THR 12 12.146 -6.885 -13.629 91 2HG2 THR 12 2HG2 THR 12 12.915 -7.441 -12.123 92 3HG2 THR 12 3HG2 THR 12 11.573 -8.370 -12.832 93 H LEU 13 H LEU 13 7.861 -6.495 -10.880 94 HA LEU 13 HA LEU 13 6.424 -4.188 -11.144 95 1HB LEU 13 1HB LEU 13 6.753 -6.307 -9.164 96 2HB LEU 13 2HB LEU 13 6.288 -4.779 -8.445 97 HG LEU 13 HG LEU 13 4.801 -6.160 -10.696 98 1HD1 LEU 13 1HD1 LEU 13 4.870 -7.144 -8.235 99 2HD1 LEU 13 2HD1 LEU 13 3.654 -5.874 -7.956 100 3HD1 LEU 13 3HD1 LEU 13 3.373 -7.116 -9.198 101 1HD2 LEU 13 2HD2 LEU 13 4.584 -3.705 -10.722 102 2HD2 LEU 13 3HD2 LEU 13 3.051 -4.520 -10.327 103 3HD2 LEU 13 1HD2 LEU 13 4.009 -3.749 -9.039 104 H GLU 14 H GLU 14 9.452 -4.774 -9.308 105 HA GLU 14 HA GLU 14 9.424 -2.338 -7.970 106 1HB GLU 14 1HB GLU 14 11.074 -4.620 -8.087 107 2HB GLU 14 2HB GLU 14 12.119 -3.314 -8.609 108 1HG GLU 14 1HG GLU 14 12.339 -3.361 -6.230 109 2HG GLU 14 2HG GLU 14 11.298 -1.989 -6.557 110 H GLU 15 H GLU 15 10.850 -3.377 -11.126 111 HA GLU 15 HA GLU 15 12.219 -1.062 -11.660 112 1HB GLU 15 1HB GLU 15 12.487 -3.134 -12.959 113 2HB GLU 15 2HB GLU 15 10.852 -3.004 -13.573 114 1HG GLU 15 1HG GLU 15 11.575 -1.689 -15.269 115 2HG GLU 15 2HG GLU 15 12.149 -0.499 -14.118 116 H ILE 16 H ILE 16 8.789 -1.966 -12.360 117 HA ILE 16 HA ILE 16 8.232 0.457 -13.722 118 HB ILE 16 HB ILE 16 6.287 -1.447 -12.420 119 1HG1 ILE 16 1HG1 ILE 16 6.767 -1.864 -15.265 120 2HG1 ILE 16 2HG1 ILE 16 8.220 -2.129 -14.322 121 1HG2 ILE 16 1HG2 ILE 16 5.541 0.838 -13.317 122 2HG2 ILE 16 2HG2 ILE 16 5.887 0.174 -14.932 123 3HG2 ILE 16 3HG2 ILE 16 4.672 -0.605 -13.889 124 1HD1 ILE 16 2HD1 ILE 16 6.096 -3.322 -12.835 125 2HD1 ILE 16 3HD1 ILE 16 5.867 -3.808 -14.531 126 3HD1 ILE 16 1HD1 ILE 16 7.408 -4.149 -13.709 127 H GLN 17 H GLN 17 8.176 -0.639 -10.335 128 HA GLN 17 HA GLN 17 6.566 1.381 -9.347 129 1HB GLN 17 1HB GLN 17 7.702 -0.829 -8.282 130 2HB GLN 17 2HB GLN 17 8.836 0.357 -7.669 131 1HG GLN 17 1HG GLN 17 6.004 1.189 -7.377 132 2HG GLN 17 2HG GLN 17 6.384 -0.286 -6.509 133 1HE2 GLN 17 1HE2 GLN 17 5.737 2.368 -5.514 134 2HE2 GLN 17 2HE2 GLN 17 7.049 2.886 -4.508 135 H LYS 18 H LYS 18 10.085 1.222 -10.049 136 HA LYS 18 HA LYS 18 10.728 3.653 -8.780 137 1HB LYS 18 1HB LYS 18 12.140 2.115 -10.980 138 2HB LYS 18 2HB LYS 18 12.827 3.465 -10.099 139 1HG LYS 18 1HG LYS 18 12.405 2.168 -7.939 140 2HG LYS 18 2HG LYS 18 11.925 0.797 -8.920 141 1HD LYS 18 1HD LYS 18 14.116 0.205 -8.987 142 2HD LYS 18 2HD LYS 18 14.372 1.569 -10.058 143 1HE LYS 18 1HE LYS 18 14.863 3.042 -8.131 144 2HE LYS 18 2HE LYS 18 14.490 1.749 -7.008 145 1HZ LYS 18 3HZ LYS 18 16.497 1.246 -9.040 146 2HZ LYS 18 1HZ LYS 18 16.907 2.194 -7.775 147 3HZ LYS 18 2HZ LYS 18 16.395 0.665 -7.517 148 H HIS 19 H HIS 19 9.410 2.771 -11.966 149 HA HIS 19 HA HIS 19 9.735 5.515 -12.858 150 1HB HIS 19 1HB HIS 19 8.845 2.977 -14.244 151 2HB HIS 19 2HB HIS 19 8.759 4.556 -15.001 152 HD1 HIS 19 HD1 HIS 19 10.827 5.345 -16.195 153 HD2 HIS 19 HD2 HIS 19 11.629 2.248 -13.481 154 HE1 HIS 19 HE1 HIS 19 13.278 4.717 -16.532 155 HE2 HIS 19 HE2 HIS 19 13.726 2.847 -14.801 156 H ASN 20 H ASN 20 8.269 6.595 -11.442 157 HA ASN 20 HA ASN 20 5.507 6.058 -12.166 158 1HB ASN 20 1HB ASN 20 5.405 5.180 -9.995 159 2HB ASN 20 2HB ASN 20 6.744 6.154 -9.422 160 1HD2 ASN 20 1HD2 ASN 20 3.470 6.559 -10.770 161 2HD2 ASN 20 2HD2 ASN 20 2.941 7.805 -9.691 162 H ASN 21 H ASN 21 7.951 8.077 -12.591 163 HA ASN 21 HA ASN 21 6.569 10.475 -11.711 164 1HB ASN 21 1HB ASN 21 9.389 10.212 -12.876 165 2HB ASN 21 2HB ASN 21 8.718 11.632 -12.098 166 1HD2 ASN 21 1HD2 ASN 21 10.450 8.783 -11.711 167 2HD2 ASN 21 2HD2 ASN 21 10.498 8.685 -9.981 168 H SER 22 H SER 22 6.471 12.314 -13.348 169 HA SER 22 HA SER 22 5.422 11.456 -15.738 170 1HB SER 22 1HB SER 22 5.348 13.812 -16.353 171 2HB SER 22 2HB SER 22 4.976 13.664 -14.647 172 HG SER 22 HG SER 22 6.792 15.247 -15.673 173 H LYS 23 H LYS 23 8.684 11.565 -14.727 174 HA LYS 23 HA LYS 23 9.942 12.374 -17.106 175 1HB LYS 23 1HB LYS 23 10.910 12.214 -14.749 176 2HB LYS 23 2HB LYS 23 11.070 10.493 -15.023 177 1HG LYS 23 1HG LYS 23 12.734 10.750 -16.635 178 2HG LYS 23 2HG LYS 23 12.131 12.305 -17.172 179 1HD LYS 23 1HD LYS 23 12.878 12.770 -14.496 180 2HD LYS 23 2HD LYS 23 14.127 11.695 -15.093 181 1HE LYS 23 1HE LYS 23 13.351 13.923 -16.938 182 2HE LYS 23 2HE LYS 23 14.157 14.412 -15.462 183 1HZ LYS 23 2HZ LYS 23 15.879 12.758 -16.003 184 2HZ LYS 23 3HZ LYS 23 15.159 12.494 -17.445 185 3HZ LYS 23 1HZ LYS 23 15.777 13.965 -17.099 186 H SER 24 H SER 24 8.762 9.214 -15.860 187 HA SER 24 HA SER 24 8.679 8.273 -18.545 188 1HB SER 24 1HB SER 24 10.757 7.308 -16.609 189 2HB SER 24 2HB SER 24 9.965 6.089 -17.586 190 HG SER 24 HG SER 24 12.016 7.413 -18.373 191 H THR 25 H THR 25 6.583 8.838 -16.839 192 HA THR 25 HA THR 25 5.713 7.066 -15.001 193 HB THR 25 HB THR 25 3.996 8.197 -17.268 194 HG1 THR 25 HG1 THR 25 4.039 10.038 -15.574 195 1HG2 THR 25 3HG2 THR 25 2.861 6.791 -15.463 196 2HG2 THR 25 1HG2 THR 25 3.491 7.939 -14.259 197 3HG2 THR 25 2HG2 THR 25 2.331 8.490 -15.491 198 H TRP 26 H TRP 26 6.038 4.914 -15.009 199 HA TRP 26 HA TRP 26 5.107 3.489 -17.410 200 1HB TRP 26 1HB TRP 26 7.384 2.926 -15.522 201 2HB TRP 26 2HB TRP 26 6.666 1.660 -16.498 202 HD1 TRP 26 HD1 TRP 26 9.354 4.183 -16.693 203 HE1 TRP 26 HE1 TRP 26 10.300 4.536 -19.131 204 HE3 TRP 26 HE3 TRP 26 5.564 1.775 -19.079 205 HZ2 TRP 26 HZ2 TRP 26 9.379 3.786 -21.726 206 HZ3 TRP 26 HZ3 TRP 26 5.665 1.629 -21.566 207 HH2 TRP 26 HH2 TRP 26 7.487 2.587 -22.884 208 H LEU 27 H LEU 27 3.800 1.598 -17.034 209 HA LEU 27 HA LEU 27 3.115 0.955 -14.308 210 1HB LEU 27 1HB LEU 27 0.899 1.570 -14.317 211 2HB LEU 27 2HB LEU 27 1.704 2.952 -15.031 212 HG LEU 27 HG LEU 27 -0.158 2.715 -16.373 213 1HD1 LEU 27 3HD1 LEU 27 2.162 2.514 -17.584 214 2HD1 LEU 27 1HD1 LEU 27 1.565 0.893 -18.012 215 3HD1 LEU 27 2HD1 LEU 27 0.642 2.337 -18.492 216 1HD2 LEU 27 1HD2 LEU 27 -0.269 0.117 -15.358 217 2HD2 LEU 27 2HD2 LEU 27 -1.447 0.906 -16.434 218 3HD2 LEU 27 3HD2 LEU 27 -0.140 -0.088 -17.121 219 H ILE 28 H ILE 28 1.192 -0.820 -14.499 220 HA ILE 28 HA ILE 28 1.891 -2.508 -16.798 221 HB ILE 28 HB ILE 28 1.250 -3.771 -14.186 222 1HG1 ILE 28 1HG1 ILE 28 4.100 -2.976 -14.684 223 2HG1 ILE 28 2HG1 ILE 28 3.015 -1.823 -13.933 224 1HG2 ILE 28 1HG2 ILE 28 1.704 -4.883 -16.498 225 2HG2 ILE 28 2HG2 ILE 28 3.413 -4.571 -16.110 226 3HG2 ILE 28 3HG2 ILE 28 2.423 -5.577 -15.026 227 1HD1 ILE 28 1HD1 ILE 28 2.560 -4.362 -12.664 228 2HD1 ILE 28 2HD1 ILE 28 4.317 -4.089 -12.729 229 3HD1 ILE 28 3HD1 ILE 28 3.260 -2.887 -11.953 230 H LEU 29 H LEU 29 0.171 -3.218 -17.962 231 HA LEU 29 HA LEU 29 -2.452 -3.002 -16.656 232 1HB LEU 29 1HB LEU 29 -1.450 -1.605 -18.926 233 2HB LEU 29 2HB LEU 29 -2.675 -2.727 -19.487 234 HG LEU 29 HG LEU 29 -2.938 -0.338 -17.722 235 1HD1 LEU 29 2HD1 LEU 29 -4.524 -1.545 -19.994 236 2HD1 LEU 29 3HD1 LEU 29 -5.085 -0.152 -19.040 237 3HD1 LEU 29 1HD1 LEU 29 -3.579 -0.036 -19.982 238 1HD2 LEU 29 3HD2 LEU 29 -4.445 -2.894 -17.329 239 2HD2 LEU 29 1HD2 LEU 29 -3.874 -1.705 -16.134 240 3HD2 LEU 29 2HD2 LEU 29 -5.296 -1.342 -17.139 241 H HIS 30 H HIS 30 -3.527 -4.895 -16.513 242 HA HIS 30 HA HIS 30 -4.162 -6.960 -16.903 243 1HB HIS 30 1HB HIS 30 -2.945 -7.234 -19.590 244 2HB HIS 30 2HB HIS 30 -4.561 -7.620 -19.038 245 HD1 HIS 30 HD1 HIS 30 -3.205 -5.596 -21.458 246 HD2 HIS 30 HD2 HIS 30 -5.750 -4.730 -18.236 247 HE1 HIS 30 HE1 HIS 30 -4.395 -3.417 -22.049 248 HE2 HIS 30 HE2 HIS 30 -5.984 -2.966 -20.058 249 H TYR 31 H TYR 31 -0.933 -6.558 -18.533 250 HA TYR 31 HA TYR 31 0.480 -7.931 -16.573 251 1HB TYR 31 1HB TYR 31 0.801 -10.085 -17.925 252 2HB TYR 31 2HB TYR 31 -0.839 -9.895 -17.337 253 HD1 TYR 31 HD1 TYR 31 -2.656 -9.175 -18.906 254 HD2 TYR 31 HD2 TYR 31 1.287 -10.108 -20.278 255 HE1 TYR 31 HE1 TYR 31 -3.530 -9.413 -21.280 256 HE2 TYR 31 HE2 TYR 31 0.400 -10.344 -22.648 257 HH TYR 31 HH TYR 31 -1.318 -10.230 -23.943 258 H LYS 32 H LYS 32 0.320 -5.782 -18.882 259 HA LYS 32 HA LYS 32 3.026 -6.348 -19.874 260 1HB LYS 32 1HB LYS 32 0.739 -5.011 -21.349 261 2HB LYS 32 2HB LYS 32 2.390 -5.094 -21.928 262 1HG LYS 32 1HG LYS 32 2.213 -7.301 -22.526 263 2HG LYS 32 2HG LYS 32 1.321 -7.726 -21.079 264 1HD LYS 32 1HD LYS 32 -0.620 -7.720 -22.244 265 2HD LYS 32 2HD LYS 32 -0.387 -6.033 -22.658 266 1HE LYS 32 1HE LYS 32 1.287 -6.981 -24.484 267 2HE LYS 32 2HE LYS 32 0.438 -8.494 -24.228 268 1HZ LYS 32 2HZ LYS 32 -1.403 -6.398 -24.480 269 2HZ LYS 32 3HZ LYS 32 -0.385 -6.379 -25.757 270 3HZ LYS 32 1HZ LYS 32 -1.235 -7.729 -25.411 271 H VAL 33 H VAL 33 4.218 -4.257 -20.477 272 HA VAL 33 HA VAL 33 3.589 -2.277 -18.405 273 HB VAL 33 HB VAL 33 6.208 -2.912 -19.778 274 1HG1 VAL 33 1HG1 VAL 33 5.346 -0.642 -18.233 275 2HG1 VAL 33 2HG1 VAL 33 6.595 -1.533 -17.332 276 3HG1 VAL 33 3HG1 VAL 33 6.929 -0.959 -18.983 277 1HG2 VAL 33 2HG2 VAL 33 5.043 -3.773 -17.126 278 2HG2 VAL 33 3HG2 VAL 33 5.767 -4.773 -18.408 279 3HG2 VAL 33 1HG2 VAL 33 6.800 -3.724 -17.408 280 H TYR 34 H TYR 34 2.837 -0.331 -19.059 281 HA TYR 34 HA TYR 34 3.374 0.412 -21.858 282 1HB TYR 34 1HB TYR 34 1.037 1.177 -20.009 283 2HB TYR 34 2HB TYR 34 1.111 1.448 -21.739 284 HD1 TYR 34 HD1 TYR 34 1.366 -1.442 -19.345 285 HD2 TYR 34 HD2 TYR 34 -0.130 0.023 -23.076 286 HE1 TYR 34 HE1 TYR 34 0.188 -3.658 -19.752 287 HE2 TYR 34 HE2 TYR 34 -1.303 -2.198 -23.470 288 HH TYR 34 HH TYR 34 -1.484 -4.609 -20.965 289 H ASP 35 H ASP 35 3.734 2.664 -22.307 290 HA ASP 35 HA ASP 35 4.907 3.982 -20.037 291 1HB ASP 35 1HB ASP 35 5.373 5.706 -22.060 292 2HB ASP 35 2HB ASP 35 6.369 4.288 -21.795 293 H LEU 36 H LEU 36 3.252 5.003 -18.824 294 HA LEU 36 HA LEU 36 0.928 6.063 -19.973 295 1HB LEU 36 1HB LEU 36 2.276 6.476 -17.308 296 2HB LEU 36 2HB LEU 36 0.736 7.201 -17.721 297 HG LEU 36 HG LEU 36 1.396 4.279 -17.364 298 1HD1 LEU 36 2HD1 LEU 36 0.315 6.264 -15.684 299 2HD1 LEU 36 3HD1 LEU 36 -1.040 5.199 -16.132 300 3HD1 LEU 36 1HD1 LEU 36 0.423 4.513 -15.385 301 1HD2 LEU 36 1HD2 LEU 36 -0.816 5.505 -18.960 302 2HD2 LEU 36 2HD2 LEU 36 0.102 4.005 -19.232 303 3HD2 LEU 36 3HD2 LEU 36 -1.161 4.059 -17.979 304 H THR 37 H THR 37 4.203 7.327 -19.493 305 HA THR 37 HA THR 37 3.698 10.047 -19.599 306 HB THR 37 HB THR 37 5.993 8.264 -20.537 307 HG1 THR 37 HG1 THR 37 5.625 10.249 -18.413 308 1HG2 THR 37 1HG2 THR 37 5.901 10.611 -21.701 309 2HG2 THR 37 2HG2 THR 37 6.160 11.271 -20.068 310 3HG2 THR 37 3HG2 THR 37 7.380 10.200 -20.800 311 H LYS 38 H LYS 38 3.140 7.625 -22.022 312 HA LYS 38 HA LYS 38 3.304 9.516 -24.194 313 1HB LYS 38 1HB LYS 38 2.921 6.585 -23.886 314 2HB LYS 38 2HB LYS 38 2.153 7.324 -25.277 315 1HG LYS 38 1HG LYS 38 4.740 8.497 -25.148 316 2HG LYS 38 2HG LYS 38 4.992 6.799 -24.800 317 1HD LYS 38 1HD LYS 38 4.275 6.108 -26.904 318 2HD LYS 38 2HD LYS 38 3.141 7.434 -27.078 319 1HE LYS 38 1HE LYS 38 4.659 8.566 -28.324 320 2HE LYS 38 2HE LYS 38 5.745 8.619 -26.949 321 1HZ LYS 38 3HZ LYS 38 5.721 6.080 -28.214 322 2HZ LYS 38 1HZ LYS 38 6.178 7.270 -29.234 323 3HZ LYS 38 2HZ LYS 38 6.987 7.037 -27.834 324 H PHE 39 H PHE 39 0.850 7.952 -22.107 325 HA PHE 39 HA PHE 39 -1.171 9.583 -23.473 326 1HB PHE 39 1HB PHE 39 -1.085 6.865 -23.122 327 2HB PHE 39 2HB PHE 39 -1.783 7.297 -21.575 328 HD1 PHE 39 HD1 PHE 39 -4.051 6.954 -21.529 329 HD2 PHE 39 HD2 PHE 39 -2.310 8.457 -25.094 330 HE1 PHE 39 HE1 PHE 39 -6.324 7.077 -22.587 331 HE2 PHE 39 HE2 PHE 39 -4.581 8.580 -26.154 332 HZ PHE 39 HZ PHE 39 -6.562 7.888 -24.888 333 H LEU 40 H LEU 40 0.622 10.703 -21.493 334 HA LEU 40 HA LEU 40 -0.821 10.702 -19.002 335 1HB LEU 40 1HB LEU 40 1.794 11.042 -19.700 336 2HB LEU 40 2HB LEU 40 1.287 12.704 -19.471 337 HG LEU 40 HG LEU 40 0.309 11.799 -17.201 338 1HD1 LEU 40 2HD1 LEU 40 1.572 9.458 -18.222 339 2HD1 LEU 40 3HD1 LEU 40 2.481 10.002 -16.792 340 3HD1 LEU 40 1HD1 LEU 40 0.733 9.691 -16.670 341 1HD2 LEU 40 3HD2 LEU 40 3.162 12.480 -17.865 342 2HD2 LEU 40 1HD2 LEU 40 1.914 13.473 -17.076 343 3HD2 LEU 40 2HD2 LEU 40 2.670 12.124 -16.192 344 H GLU 41 H GLU 41 -0.486 12.711 -21.932 345 HA GLU 41 HA GLU 41 -2.033 14.797 -20.694 346 1HB GLU 41 1HB GLU 41 -0.061 14.755 -22.669 347 2HB GLU 41 2HB GLU 41 -1.525 15.015 -23.596 348 1HG GLU 41 1HG GLU 41 -2.111 16.856 -21.853 349 2HG GLU 41 2HG GLU 41 -0.454 16.707 -21.300 350 H GLU 42 H GLU 42 -2.435 11.981 -22.759 351 HA GLU 42 HA GLU 42 -5.050 12.916 -23.582 352 1HB GLU 42 1HB GLU 42 -3.140 10.801 -24.524 353 2HB GLU 42 2HB GLU 42 -4.846 10.484 -24.761 354 1HG GLU 42 1HG GLU 42 -4.079 13.247 -25.498 355 2HG GLU 42 2HG GLU 42 -3.227 12.034 -26.432 356 H HIS 43 H HIS 43 -6.264 12.765 -21.643 357 HA HIS 43 HA HIS 43 -7.413 10.308 -21.118 358 1HB HIS 43 1HB HIS 43 -5.097 9.898 -20.142 359 2HB HIS 43 2HB HIS 43 -5.492 11.085 -18.915 360 HD1 HIS 43 HD1 HIS 43 -7.952 10.471 -17.633 361 HD2 HIS 43 HD2 HIS 43 -5.740 7.364 -19.378 362 HE1 HIS 43 HE1 HIS 43 -8.774 8.313 -16.547 363 HE2 HIS 43 HE2 HIS 43 -7.415 6.434 -17.698 364 HA PRO 44 HA PRO 44 -10.046 13.328 -19.445 365 1HB PRO 44 1HB PRO 44 -12.150 11.720 -18.772 366 2HB PRO 44 2HB PRO 44 -11.894 12.336 -20.393 367 1HG PRO 44 1HG PRO 44 -11.431 9.608 -19.351 368 2HG PRO 44 2HG PRO 44 -11.593 10.135 -21.015 369 1HD PRO 44 1HD PRO 44 -9.159 9.458 -19.658 370 2HD PRO 44 2HD PRO 44 -9.309 10.096 -21.283 371 H GLY 45 H GLY 45 -8.677 14.005 -17.747 372 1HA GLY 45 2HA GLY 45 -8.789 12.489 -15.294 373 2HA GLY 45 1HA GLY 45 -9.746 13.957 -15.263 374 H GLY 46 H GLY 46 -6.448 12.798 -16.264 375 1HA GLY 46 2HA GLY 46 -5.226 14.935 -14.738 376 2HA GLY 46 1HA GLY 46 -5.053 15.084 -16.476 377 H GLU 47 H GLU 47 -2.749 14.756 -16.360 378 HA GLU 47 HA GLU 47 -1.808 12.389 -17.004 379 1HB GLU 47 1HB GLU 47 -0.482 14.565 -15.350 380 2HB GLU 47 2HB GLU 47 0.413 13.161 -15.897 381 1HG GLU 47 1HG GLU 47 0.271 13.765 -18.156 382 2HG GLU 47 2HG GLU 47 -1.231 14.645 -17.941 383 H GLU 48 H GLU 48 -2.269 13.549 -13.617 384 HA GLU 48 HA GLU 48 -1.049 11.557 -12.274 385 1HB GLU 48 1HB GLU 48 -2.728 13.673 -11.636 386 2HB GLU 48 2HB GLU 48 -3.681 12.293 -11.129 387 1HG GLU 48 1HG GLU 48 -2.113 11.613 -9.522 388 2HG GLU 48 2HG GLU 48 -0.762 12.338 -10.370 389 H VAL 49 H VAL 49 -4.417 11.568 -13.605 390 HA VAL 49 HA VAL 49 -5.455 9.311 -12.650 391 HB VAL 49 HB VAL 49 -6.393 10.895 -14.350 392 1HG1 VAL 49 3HG1 VAL 49 -4.249 10.117 -15.904 393 2HG1 VAL 49 1HG1 VAL 49 -5.603 9.213 -16.625 394 3HG1 VAL 49 2HG1 VAL 49 -5.692 10.985 -16.483 395 1HG2 VAL 49 1HG2 VAL 49 -7.316 8.560 -13.643 396 2HG2 VAL 49 2HG2 VAL 49 -8.014 9.384 -15.059 397 3HG2 VAL 49 3HG2 VAL 49 -6.837 8.067 -15.286 398 H LEU 50 H LEU 50 -2.656 9.576 -14.818 399 HA LEU 50 HA LEU 50 -2.557 6.646 -14.929 400 1HB LEU 50 1HB LEU 50 -1.234 8.701 -16.704 401 2HB LEU 50 2HB LEU 50 -1.051 6.965 -16.845 402 HG LEU 50 HG LEU 50 -3.855 7.611 -16.878 403 1HD1 LEU 50 3HD1 LEU 50 -2.087 9.387 -18.506 404 2HD1 LEU 50 1HD1 LEU 50 -3.600 8.790 -19.230 405 3HD1 LEU 50 2HD1 LEU 50 -3.646 9.727 -17.718 406 1HD2 LEU 50 3HD2 LEU 50 -2.437 5.641 -17.848 407 2HD2 LEU 50 1HD2 LEU 50 -3.909 6.185 -18.688 408 3HD2 LEU 50 2HD2 LEU 50 -2.308 6.692 -19.278 409 H ARG 51 H ARG 51 -0.789 9.661 -14.119 410 HA ARG 51 HA ARG 51 1.620 8.456 -13.547 411 1HB ARG 51 1HB ARG 51 0.681 11.036 -13.580 412 2HB ARG 51 2HB ARG 51 0.785 10.785 -11.848 413 1HG ARG 51 1HG ARG 51 3.194 9.700 -12.854 414 2HG ARG 51 2HG ARG 51 2.945 11.152 -13.803 415 1HD ARG 51 1HD ARG 51 2.349 11.636 -10.966 416 2HD ARG 51 2HD ARG 51 3.973 11.009 -11.168 417 HE ARG 51 HE ARG 51 3.327 13.124 -13.085 418 1HH1 ARG 51 2HH1 ARG 51 4.432 15.114 -12.892 419 2HH1 ARG 51 1HH1 ARG 51 5.300 15.487 -11.440 420 1HH2 ARG 51 2HH2 ARG 51 4.502 12.454 -9.837 421 2HH2 ARG 51 1HH2 ARG 51 5.339 13.962 -9.691 422 H GLU 52 H GLU 52 -1.321 9.064 -11.550 423 HA GLU 52 HA GLU 52 -0.211 8.353 -9.119 424 1HB GLU 52 1HB GLU 52 -2.527 8.152 -8.342 425 2HB GLU 52 2HB GLU 52 -2.374 9.547 -9.393 426 1HG GLU 52 1HG GLU 52 -3.010 7.631 -11.249 427 2HG GLU 52 2HG GLU 52 -3.835 6.974 -9.849 428 H GLN 53 H GLN 53 -1.378 6.438 -11.858 429 HA GLN 53 HA GLN 53 -1.416 4.045 -10.260 430 1HB GLN 53 1HB GLN 53 -2.172 2.949 -12.361 431 2HB GLN 53 2HB GLN 53 -3.168 4.333 -11.952 432 1HG GLN 53 1HG GLN 53 -1.779 5.742 -13.535 433 2HG GLN 53 2HG GLN 53 -0.893 4.301 -13.993 434 1HE2 GLN 53 1HE2 GLN 53 -4.059 5.833 -13.911 435 2HE2 GLN 53 2HE2 GLN 53 -4.784 4.955 -15.214 436 H ALA 54 H ALA 54 0.740 5.875 -12.320 437 HA ALA 54 HA ALA 54 2.346 3.803 -13.285 438 1HB ALA 54 1HB ALA 54 2.188 6.513 -13.608 439 2HB ALA 54 3HB ALA 54 3.565 5.522 -14.150 440 3HB ALA 54 2HB ALA 54 3.646 6.382 -12.594 441 H GLY 55 H GLY 55 3.827 2.488 -12.320 442 1HA GLY 55 2HA GLY 55 4.650 3.202 -9.567 443 2HA GLY 55 1HA GLY 55 5.711 2.454 -10.744 444 H GLY 56 H GLY 56 2.988 0.991 -11.658 445 1HA GLY 56 2HA GLY 56 2.375 -0.766 -9.506 446 2HA GLY 56 1HA GLY 56 3.545 -1.493 -10.587 447 H ASP 57 H ASP 57 1.265 -2.860 -10.525 448 HA ASP 57 HA ASP 57 0.351 -2.691 -13.140 449 1HB ASP 57 1HB ASP 57 -0.037 -4.825 -12.419 450 2HB ASP 57 2HB ASP 57 -0.133 -4.331 -10.740 451 H ALA 58 H ALA 58 -1.144 -1.214 -13.952 452 HA ALA 58 HA ALA 58 -2.798 0.243 -12.070 453 1HB ALA 58 3HB ALA 58 -1.395 1.076 -14.188 454 2HB ALA 58 1HB ALA 58 -2.901 0.658 -15.040 455 3HB ALA 58 2HB ALA 58 -2.928 1.853 -13.719 456 H THR 59 H THR 59 -2.949 -2.561 -14.091 457 HA THR 59 HA THR 59 -5.510 -2.547 -15.065 458 HB THR 59 HB THR 59 -3.355 -4.375 -14.672 459 HG1 THR 59 HG1 THR 59 -6.046 -4.608 -15.829 460 1HG2 THR 59 2HG2 THR 59 -6.067 -5.476 -13.759 461 2HG2 THR 59 3HG2 THR 59 -4.646 -6.463 -14.169 462 3HG2 THR 59 1HG2 THR 59 -4.601 -5.384 -12.754 463 H GLU 60 H GLU 60 -4.474 -3.716 -11.791 464 HA GLU 60 HA GLU 60 -6.770 -4.531 -10.799 465 1HB GLU 60 1HB GLU 60 -6.008 -3.668 -8.570 466 2HB GLU 60 2HB GLU 60 -4.739 -4.481 -9.464 467 1HG GLU 60 1HG GLU 60 -3.475 -2.618 -9.177 468 2HG GLU 60 2HG GLU 60 -4.527 -1.816 -10.326 469 H ASN 61 H ASN 61 -5.997 -1.194 -11.696 470 HA ASN 61 HA ASN 61 -8.404 -0.260 -10.406 471 1HB ASN 61 1HB ASN 61 -5.873 0.905 -11.040 472 2HB ASN 61 2HB ASN 61 -7.026 1.721 -12.077 473 1HD2 ASN 61 1HD2 ASN 61 -5.696 1.486 -8.999 474 2HD2 ASN 61 2HD2 ASN 61 -6.769 2.527 -8.122 475 H PHE 62 H PHE 62 -6.754 -0.196 -13.660 476 HA PHE 62 HA PHE 62 -8.711 0.892 -15.174 477 1HB PHE 62 1HB PHE 62 -7.014 0.309 -16.635 478 2HB PHE 62 2HB PHE 62 -6.344 -0.776 -15.432 479 HD1 PHE 62 HD1 PHE 62 -7.955 -0.545 -18.593 480 HD2 PHE 62 HD2 PHE 62 -7.361 -3.138 -15.288 481 HE1 PHE 62 HE1 PHE 62 -8.569 -2.511 -20.027 482 HE2 PHE 62 HE2 PHE 62 -7.975 -5.105 -16.721 483 HZ PHE 62 HZ PHE 62 -8.572 -4.768 -19.073 484 H GLU 63 H GLU 63 -8.765 -2.215 -13.538 485 HA GLU 63 HA GLU 63 -10.766 -3.296 -15.253 486 1HB GLU 63 1HB GLU 63 -9.137 -4.195 -12.963 487 2HB GLU 63 2HB GLU 63 -10.780 -4.801 -12.895 488 1HG GLU 63 1HG GLU 63 -9.630 -4.966 -15.613 489 2HG GLU 63 2HG GLU 63 -8.694 -5.868 -14.437 490 H ASP 64 H ASP 64 -10.589 -1.739 -12.007 491 HA ASP 64 HA ASP 64 -13.227 -2.193 -11.317 492 1HB ASP 64 1HB ASP 64 -11.902 -1.455 -9.536 493 2HB ASP 64 2HB ASP 64 -11.065 -0.265 -10.512 494 H VAL 65 H VAL 65 -11.650 0.036 -13.546 495 HA VAL 65 HA VAL 65 -14.053 1.698 -13.702 496 HB VAL 65 HB VAL 65 -12.615 3.351 -13.927 497 1HG1 VAL 65 1HG1 VAL 65 -11.099 1.848 -12.596 498 2HG1 VAL 65 2HG1 VAL 65 -10.322 1.376 -14.125 499 3HG1 VAL 65 3HG1 VAL 65 -10.257 3.069 -13.580 500 1HG2 VAL 65 3HG2 VAL 65 -11.676 1.808 -16.357 501 2HG2 VAL 65 1HG2 VAL 65 -12.777 3.205 -16.289 502 3HG2 VAL 65 2HG2 VAL 65 -11.047 3.417 -15.930 503 H GLY 66 H GLY 66 -13.197 -1.208 -14.822 504 1HA GLY 66 2HA GLY 66 -14.930 -1.609 -16.761 505 2HA GLY 66 1HA GLY 66 -13.323 -2.305 -16.829 506 H HIS 67 H HIS 67 -11.564 -1.011 -17.921 507 HA HIS 67 HA HIS 67 -12.295 1.212 -19.498 508 1HB HIS 67 1HB HIS 67 -9.891 -0.432 -19.007 509 2HB HIS 67 2HB HIS 67 -9.973 0.275 -20.608 510 HD1 HIS 67 HD1 HIS 67 -11.552 2.922 -19.416 511 HD2 HIS 67 HD2 HIS 67 -7.833 1.365 -18.257 512 HE1 HIS 67 HE1 HIS 67 -10.268 4.853 -18.353 513 HE2 HIS 67 HE2 HIS 67 -8.013 3.823 -17.611 514 H SER 68 H SER 68 -12.034 1.235 -21.954 515 HA SER 68 HA SER 68 -13.597 -0.964 -22.953 516 1HB SER 68 1HB SER 68 -14.190 0.450 -24.741 517 2HB SER 68 2HB SER 68 -14.030 1.562 -23.396 518 HG SER 68 HG SER 68 -12.672 2.608 -24.681 519 H THR 69 H THR 69 -12.993 -2.059 -25.028 520 HA THR 69 HA THR 69 -10.380 -3.021 -24.977 521 HB THR 69 HB THR 69 -12.724 -3.088 -26.905 522 HG1 THR 69 HG1 THR 69 -12.824 -4.603 -25.228 523 1HG2 THR 69 1HG2 THR 69 -10.428 -3.156 -28.174 524 2HG2 THR 69 2HG2 THR 69 -10.164 -4.691 -27.313 525 3HG2 THR 69 3HG2 THR 69 -11.546 -4.519 -28.422 526 H ASP 70 H ASP 70 -11.666 -0.055 -26.285 527 HA ASP 70 HA ASP 70 -9.719 0.262 -28.276 528 1HB ASP 70 1HB ASP 70 -11.898 1.507 -28.171 529 2HB ASP 70 2HB ASP 70 -11.335 2.354 -26.743 530 H ALA 71 H ALA 71 -10.202 1.653 -24.938 531 HA ALA 71 HA ALA 71 -7.910 3.159 -24.791 532 1HB ALA 71 2HB ALA 71 -8.205 2.436 -22.229 533 2HB ALA 71 3HB ALA 71 -9.357 3.527 -23.036 534 3HB ALA 71 1HB ALA 71 -9.746 1.800 -22.851 535 H ARG 72 H ARG 72 -8.421 -0.344 -24.052 536 HA ARG 72 HA ARG 72 -5.845 -0.756 -23.122 537 1HB ARG 72 1HB ARG 72 -7.643 -2.795 -24.526 538 2HB ARG 72 2HB ARG 72 -6.355 -3.155 -23.394 539 1HG ARG 72 1HG ARG 72 -7.590 -1.939 -21.593 540 2HG ARG 72 2HG ARG 72 -8.875 -1.559 -22.725 541 1HD ARG 72 1HD ARG 72 -9.551 -3.515 -21.424 542 2HD ARG 72 2HD ARG 72 -9.263 -4.027 -23.075 543 HE ARG 72 HE ARG 72 -6.887 -4.253 -21.380 544 1HH1 ARG 72 2HH1 ARG 72 -6.109 -6.350 -20.907 545 2HH1 ARG 72 1HH1 ARG 72 -7.111 -7.732 -21.198 546 1HH2 ARG 72 2HH2 ARG 72 -9.833 -5.865 -22.427 547 2HH2 ARG 72 1HH2 ARG 72 -9.245 -7.454 -22.069 548 H GLU 73 H GLU 73 -7.349 -0.959 -26.391 549 HA GLU 73 HA GLU 73 -5.170 -2.142 -27.644 550 1HB GLU 73 1HB GLU 73 -7.687 -0.801 -28.438 551 2HB GLU 73 2HB GLU 73 -6.409 -0.633 -29.624 552 1HG GLU 73 1HG GLU 73 -6.094 -3.068 -29.721 553 2HG GLU 73 2HG GLU 73 -7.213 -3.309 -28.395 554 H LEU 74 H LEU 74 -6.071 1.286 -27.016 555 HA LEU 74 HA LEU 74 -4.096 2.444 -28.612 556 1HB LEU 74 1HB LEU 74 -5.038 4.323 -27.937 557 2HB LEU 74 2HB LEU 74 -6.203 3.308 -27.108 558 HG LEU 74 HG LEU 74 -4.185 3.483 -25.243 559 1HD1 LEU 74 2HD1 LEU 74 -4.278 6.070 -26.800 560 2HD1 LEU 74 3HD1 LEU 74 -3.750 5.980 -25.102 561 3HD1 LEU 74 1HD1 LEU 74 -2.861 5.085 -26.359 562 1HD2 LEU 74 1HD2 LEU 74 -6.867 4.595 -25.646 563 2HD2 LEU 74 2HD2 LEU 74 -6.143 3.817 -24.218 564 3HD2 LEU 74 3HD2 LEU 74 -5.857 5.545 -24.532 565 H SER 75 H SER 75 -4.087 1.219 -25.232 566 HA SER 75 HA SER 75 -1.651 2.269 -24.509 567 1HB SER 75 1HB SER 75 -3.576 0.727 -23.297 568 2HB SER 75 2HB SER 75 -2.299 -0.457 -23.484 569 HG SER 75 HG SER 75 -2.079 0.653 -21.469 570 H LYS 76 H LYS 76 -2.508 -0.406 -26.642 571 HA LYS 76 HA LYS 76 -0.218 -1.946 -26.483 572 1HB LYS 76 1HB LYS 76 -1.163 -3.098 -28.167 573 2HB LYS 76 2HB LYS 76 -2.548 -2.070 -27.861 574 1HG LYS 76 1HG LYS 76 -1.872 -0.512 -29.625 575 2HG LYS 76 2HG LYS 76 -0.339 -1.334 -29.835 576 1HD LYS 76 1HD LYS 76 -1.479 -2.375 -31.549 577 2HD LYS 76 2HD LYS 76 -1.968 -3.454 -30.258 578 1HE LYS 76 1HE LYS 76 -4.014 -1.957 -29.901 579 2HE LYS 76 2HE LYS 76 -3.551 -1.078 -31.344 580 1HZ LYS 76 1HZ LYS 76 -3.467 -3.672 -32.097 581 2HZ LYS 76 2HZ LYS 76 -4.779 -3.616 -31.125 582 3HZ LYS 76 3HZ LYS 76 -4.678 -2.624 -32.418 583 H THR 77 H THR 77 -0.635 1.323 -27.546 584 HA THR 77 HA THR 77 1.644 1.284 -29.324 585 HB THR 77 HB THR 77 1.024 3.603 -29.687 586 HG1 THR 77 HG1 THR 77 -0.312 4.629 -28.068 587 1HG2 THR 77 2HG2 THR 77 -1.322 1.738 -29.220 588 2HG2 THR 77 3HG2 THR 77 -1.635 3.456 -29.567 589 3HG2 THR 77 1HG2 THR 77 -0.753 2.456 -30.746 590 H PHE 78 H PHE 78 0.962 1.858 -25.908 591 HA PHE 78 HA PHE 78 3.606 3.033 -25.577 592 1HB PHE 78 1HB PHE 78 1.514 2.369 -23.444 593 2HB PHE 78 2HB PHE 78 2.723 3.636 -23.386 594 HD1 PHE 78 HD1 PHE 78 2.369 5.031 -25.916 595 HD2 PHE 78 HD2 PHE 78 -0.553 3.394 -23.312 596 HE1 PHE 78 HE1 PHE 78 0.681 6.681 -26.773 597 HE2 PHE 78 HE2 PHE 78 -2.241 5.043 -24.169 598 HZ PHE 78 HZ PHE 78 -1.603 6.667 -25.889 599 H ILE 79 H ILE 79 2.260 -0.037 -25.786 600 HA ILE 79 HA ILE 79 3.422 -1.286 -23.541 601 HB ILE 79 HB ILE 79 2.100 -2.094 -26.060 602 1HG1 ILE 79 1HG1 ILE 79 1.696 -2.291 -23.147 603 2HG1 ILE 79 2HG1 ILE 79 0.528 -2.126 -24.443 604 1HG2 ILE 79 1HG2 ILE 79 4.129 -3.455 -26.159 605 2HG2 ILE 79 2HG2 ILE 79 3.836 -4.026 -24.498 606 3HG2 ILE 79 3HG2 ILE 79 2.697 -4.451 -25.798 607 1HD1 ILE 79 1HD1 ILE 79 2.017 -4.714 -23.805 608 2HD1 ILE 79 2HD1 ILE 79 0.370 -4.332 -23.250 609 3HD1 ILE 79 3HD1 ILE 79 0.705 -4.512 -24.990 610 H ILE 80 H ILE 80 5.556 -1.343 -23.100 611 HA ILE 80 HA ILE 80 7.369 -1.524 -25.403 612 HB ILE 80 HB ILE 80 9.066 -0.594 -23.850 613 1HG1 ILE 80 1HG1 ILE 80 6.800 0.162 -22.009 614 2HG1 ILE 80 2HG1 ILE 80 7.688 -1.331 -21.782 615 1HG2 ILE 80 1HG2 ILE 80 7.610 0.731 -25.491 616 2HG2 ILE 80 2HG2 ILE 80 6.711 1.279 -24.055 617 3HG2 ILE 80 3HG2 ILE 80 8.448 1.635 -24.207 618 1HD1 ILE 80 3HD1 ILE 80 9.312 1.163 -22.201 619 2HD1 ILE 80 1HD1 ILE 80 8.475 0.976 -20.640 620 3HD1 ILE 80 2HD1 ILE 80 9.649 -0.251 -21.174 621 H GLY 81 H GLY 81 6.177 -3.030 -22.451 622 1HA GLY 81 2HA GLY 81 8.167 -4.685 -21.646 623 2HA GLY 81 1HA GLY 81 7.582 -5.460 -23.104 624 H GLU 82 H GLU 82 7.384 -6.492 -20.361 625 HA GLU 82 HA GLU 82 4.655 -6.086 -19.612 626 1HB GLU 82 1HB GLU 82 5.220 -8.975 -20.049 627 2HB GLU 82 2HB GLU 82 3.734 -8.076 -20.291 628 1HG GLU 82 1HG GLU 82 4.616 -7.117 -22.399 629 2HG GLU 82 2HG GLU 82 6.160 -7.903 -22.142 630 H LEU 83 H LEU 83 4.122 -7.539 -17.620 631 HA LEU 83 HA LEU 83 6.258 -7.236 -15.788 632 1HB LEU 83 1HB LEU 83 3.718 -7.045 -15.437 633 2HB LEU 83 2HB LEU 83 3.726 -8.792 -15.318 634 HG LEU 83 HG LEU 83 4.046 -8.489 -13.134 635 1HD1 LEU 83 1HD1 LEU 83 6.271 -9.257 -13.766 636 2HD1 LEU 83 2HD1 LEU 83 6.809 -7.573 -13.982 637 3HD1 LEU 83 3HD1 LEU 83 6.352 -8.161 -12.366 638 1HD2 LEU 83 3HD2 LEU 83 4.082 -5.752 -13.968 639 2HD2 LEU 83 1HD2 LEU 83 3.615 -6.444 -12.396 640 3HD2 LEU 83 2HD2 LEU 83 5.309 -5.988 -12.699 641 H HIS 84 H HIS 84 7.851 -8.628 -15.217 642 HA HIS 84 HA HIS 84 8.031 -11.086 -16.635 643 1HB HIS 84 1HB HIS 84 9.796 -9.301 -15.372 644 2HB HIS 84 2HB HIS 84 9.925 -10.787 -14.452 645 HD1 HIS 84 HD1 HIS 84 12.435 -10.699 -15.573 646 HD2 HIS 84 HD2 HIS 84 9.233 -11.618 -18.120 647 HE1 HIS 84 HE1 HIS 84 13.459 -11.769 -17.651 648 HE2 HIS 84 HE2 HIS 84 11.439 -12.362 -19.155 649 HA PRO 85 HA PRO 85 6.779 -13.860 -13.531 650 1HB PRO 85 1HB PRO 85 8.824 -15.606 -13.036 651 2HB PRO 85 2HB PRO 85 7.797 -15.708 -14.453 652 1HG PRO 85 1HG PRO 85 10.585 -14.744 -14.247 653 2HG PRO 85 2HG PRO 85 9.701 -15.250 -15.673 654 1HD PRO 85 1HD PRO 85 10.284 -12.555 -14.881 655 2HD PRO 85 2HD PRO 85 9.303 -13.058 -16.244 656 H ASP 86 H ASP 86 8.742 -11.498 -12.702 657 HA ASP 86 HA ASP 86 9.496 -12.383 -10.134 658 1HB ASP 86 1HB ASP 86 10.854 -10.614 -10.655 659 2HB ASP 86 2HB ASP 86 9.690 -9.934 -11.775 660 H ASP 87 H ASP 87 6.644 -10.954 -11.645 661 HA ASP 87 HA ASP 87 5.138 -11.304 -9.315 662 1HB ASP 87 1HB ASP 87 5.851 -8.461 -10.151 663 2HB ASP 87 2HB ASP 87 4.412 -8.813 -9.215 664 H ARG 88 H ARG 88 4.788 -12.396 -11.789 665 HA ARG 88 HA ARG 88 3.250 -10.702 -13.464 666 1HB ARG 88 1HB ARG 88 4.433 -13.392 -13.576 667 2HB ARG 88 2HB ARG 88 2.811 -13.398 -14.237 668 1HG ARG 88 1HG ARG 88 3.351 -11.894 -15.962 669 2HG ARG 88 2HG ARG 88 4.671 -11.169 -15.067 670 1HD ARG 88 1HD ARG 88 5.611 -12.534 -16.866 671 2HD ARG 88 2HD ARG 88 5.996 -13.295 -15.334 672 HE ARG 88 HE ARG 88 3.635 -14.529 -15.988 673 1HH1 ARG 88 2HH1 ARG 88 3.395 -16.401 -17.277 674 2HH1 ARG 88 1HH1 ARG 88 4.579 -16.778 -18.485 675 1HH2 ARG 88 2HH2 ARG 88 6.587 -13.963 -17.818 676 2HH2 ARG 88 1HH2 ARG 88 6.406 -15.381 -18.795 677 H SER 89 H SER 89 2.441 -13.967 -12.062 678 HA SER 89 HA SER 89 -0.281 -13.587 -12.273 679 1HB SER 89 1HB SER 89 -0.323 -15.493 -10.493 680 2HB SER 89 2HB SER 89 0.413 -15.822 -12.049 681 HG SER 89 HG SER 89 2.113 -16.416 -10.887 682 H LYS 90 H LYS 90 1.992 -12.152 -10.138 683 HA LYS 90 HA LYS 90 0.302 -11.954 -7.850 684 1HB LYS 90 1HB LYS 90 3.010 -11.116 -8.652 685 2HB LYS 90 2HB LYS 90 2.203 -9.979 -7.592 686 1HG LYS 90 1HG LYS 90 1.561 -12.392 -6.388 687 2HG LYS 90 2HG LYS 90 3.152 -12.743 -7.031 688 1HD LYS 90 1HD LYS 90 3.900 -10.488 -5.963 689 2HD LYS 90 2HD LYS 90 2.375 -10.524 -5.097 690 1HE LYS 90 1HE LYS 90 3.034 -12.257 -3.721 691 2HE LYS 90 2HE LYS 90 3.918 -13.075 -4.993 692 1HZ LYS 90 1HZ LYS 90 5.541 -11.168 -4.768 693 2HZ LYS 90 2HZ LYS 90 4.805 -10.828 -3.351 694 3HZ LYS 90 3HZ LYS 90 5.527 -12.276 -3.569 695 H ILE 91 H ILE 91 0.289 -10.532 -10.956 696 HA ILE 91 HA ILE 91 -1.485 -8.441 -9.942 697 HB ILE 91 HB ILE 91 -0.484 -6.736 -11.096 698 1HG1 ILE 91 1HG1 ILE 91 1.103 -8.718 -12.755 699 2HG1 ILE 91 2HG1 ILE 91 -0.393 -7.962 -13.267 700 1HG2 ILE 91 3HG2 ILE 91 1.746 -8.558 -10.163 701 2HG2 ILE 91 1HG2 ILE 91 1.979 -6.856 -10.633 702 3HG2 ILE 91 2HG2 ILE 91 0.932 -7.263 -9.251 703 1HD1 ILE 91 2HD1 ILE 91 1.545 -5.989 -12.251 704 2HD1 ILE 91 3HD1 ILE 91 2.172 -6.919 -13.633 705 3HD1 ILE 91 1HD1 ILE 91 0.651 -6.010 -13.789 706 H THR 92 H THR 92 -0.278 -10.402 -12.720 707 HA THR 92 HA THR 92 -2.004 -9.896 -14.674 708 HB THR 92 HB THR 92 -0.227 -11.888 -14.098 709 HG1 THR 92 HG1 THR 92 -1.207 -12.769 -16.176 710 1HG2 THR 92 2HG2 THR 92 -2.200 -13.087 -12.826 711 2HG2 THR 92 3HG2 THR 92 -2.873 -13.354 -14.452 712 3HG2 THR 92 1HG2 THR 92 -1.282 -14.029 -14.024 713 H LYS 93 H LYS 93 -2.859 -11.538 -11.608 714 HA LYS 93 HA LYS 93 -5.625 -11.649 -12.563 715 1HB LYS 93 1HB LYS 93 -4.641 -13.762 -11.776 716 2HB LYS 93 2HB LYS 93 -4.288 -13.038 -10.219 717 1HG LYS 93 1HG LYS 93 -6.901 -12.439 -10.268 718 2HG LYS 93 2HG LYS 93 -6.968 -13.766 -11.411 719 1HD LYS 93 1HD LYS 93 -5.575 -15.089 -9.606 720 2HD LYS 93 2HD LYS 93 -6.093 -13.829 -8.503 721 1HE LYS 93 1HE LYS 93 -8.326 -14.860 -10.139 722 2HE LYS 93 2HE LYS 93 -7.556 -16.126 -9.202 723 1HZ LYS 93 2HZ LYS 93 -7.747 -14.545 -7.283 724 2HZ LYS 93 3HZ LYS 93 -8.748 -13.645 -8.207 725 3HZ LYS 93 1HZ LYS 93 -9.150 -15.181 -7.825 726 HA PRO 94 HA PRO 94 -6.279 -8.150 -10.048 727 1HB PRO 94 1HB PRO 94 -8.900 -7.735 -10.702 728 2HB PRO 94 2HB PRO 94 -7.565 -7.125 -11.660 729 1HG PRO 94 1HG PRO 94 -9.357 -9.409 -12.218 730 2HG PRO 94 2HG PRO 94 -8.320 -8.530 -13.326 731 1HD PRO 94 1HD PRO 94 -7.821 -11.119 -12.196 732 2HD PRO 94 2HD PRO 94 -6.735 -10.191 -13.210 733 H SER 95 H SER 95 -8.131 -7.347 -8.461 734 HA SER 95 HA SER 95 -8.872 -9.758 -6.997 735 1HB SER 95 1HB SER 95 -7.059 -7.724 -6.169 736 2HB SER 95 2HB SER 95 -8.521 -7.462 -5.240 737 HG SER 95 HG SER 95 -8.441 -9.752 -4.624 738 H GLU 96 H GLU 96 -10.862 -9.539 -5.683 739 HA GLU 96 HA GLU 96 -12.692 -7.764 -6.990 740 1HB GLU 96 1HB GLU 96 -12.893 -10.329 -5.954 741 2HB GLU 96 2HB GLU 96 -13.688 -9.382 -4.711 742 1HG GLU 96 1HG GLU 96 -15.236 -8.411 -6.338 743 2HG GLU 96 2HG GLU 96 -14.354 -9.120 -7.678 744 H SER 97 H SER 97 -14.198 -6.341 -5.759 745 HA SER 97 HA SER 97 -12.717 -4.960 -3.745 746 1HB SER 97 1HB SER 97 -15.356 -4.447 -5.164 747 2HB SER 97 2HB SER 97 -14.827 -3.439 -3.832 748 HG SER 97 HG SER 97 -12.987 -2.803 -5.013 749 H ILE 98 H ILE 98 -14.324 -4.027 -1.845 750 HA ILE 98 HA ILE 98 -15.537 -6.434 -0.680 751 HB ILE 98 HB ILE 98 -15.025 -5.454 1.490 752 1HG1 ILE 98 1HG1 ILE 98 -13.136 -3.474 0.998 753 2HG1 ILE 98 2HG1 ILE 98 -14.423 -3.091 -0.127 754 1HG2 ILE 98 2HG2 ILE 98 -13.318 -6.752 -0.179 755 2HG2 ILE 98 3HG2 ILE 98 -12.368 -5.300 0.213 756 3HG2 ILE 98 1HG2 ILE 98 -12.965 -6.352 1.519 757 1HD1 ILE 98 2HD1 ILE 98 -15.891 -3.689 2.122 758 2HD1 ILE 98 3HD1 ILE 98 -14.417 -2.999 2.845 759 3HD1 ILE 98 1HD1 ILE 98 -15.366 -2.047 1.677 760 H ILE 99 H ILE 99 -15.925 -3.009 -1.549 761 HA ILE 99 HA ILE 99 -17.692 -1.689 -1.617 762 HB ILE 99 HB ILE 99 -19.135 -4.337 -1.642 763 1HG1 ILE 99 1HG1 ILE 99 -18.867 -2.500 -3.991 764 2HG1 ILE 99 2HG1 ILE 99 -17.474 -3.449 -3.513 765 1HG2 ILE 99 3HG2 ILE 99 -20.191 -1.537 -1.728 766 2HG2 ILE 99 1HG2 ILE 99 -20.957 -2.785 -2.741 767 3HG2 ILE 99 2HG2 ILE 99 -20.873 -2.999 -0.976 768 1HD1 ILE 99 1HD1 ILE 99 -20.250 -4.608 -4.040 769 2HD1 ILE 99 2HD1 ILE 99 -18.901 -4.622 -5.203 770 3HD1 ILE 99 3HD1 ILE 99 -18.773 -5.535 -3.680 771 H THR 100 H THR 100 -19.248 -0.583 -0.269 772 HA THR 100 HA THR 100 -19.493 -1.707 2.433 773 HB THR 100 HB THR 100 -17.556 -0.060 2.253 774 HG1 THR 100 HG1 THR 100 -18.398 1.029 4.155 775 1HG2 THR 100 2HG2 THR 100 -19.848 1.675 1.299 776 2HG2 THR 100 3HG2 THR 100 -18.610 2.403 2.351 777 3HG2 THR 100 1HG2 THR 100 -18.142 1.690 0.789 778 H THR 101 H THR 101 -21.215 -0.595 3.733 779 HA THR 101 HA THR 101 -23.343 0.367 1.938 780 HB THR 101 HB THR 101 -23.561 -1.516 4.348 781 HG1 THR 101 HG1 THR 101 -24.085 -1.874 1.489 782 1HG2 THR 101 1HG2 THR 101 -25.588 0.033 3.729 783 2HG2 THR 101 2HG2 THR 101 -25.667 -0.920 2.230 784 3HG2 THR 101 3HG2 THR 101 -25.883 -1.720 3.805 785 H ILE 102 H ILE 102 -24.553 2.108 2.593 786 HA ILE 102 HA ILE 102 -23.478 3.459 4.952 787 HB ILE 102 HB ILE 102 -24.470 5.472 3.983 788 1HG1 ILE 102 1HG1 ILE 102 -25.181 3.792 1.565 789 2HG1 ILE 102 2HG1 ILE 102 -26.340 4.241 2.801 790 1HG2 ILE 102 2HG2 ILE 102 -22.222 4.045 3.082 791 2HG2 ILE 102 3HG2 ILE 102 -23.009 4.689 1.621 792 3HG2 ILE 102 1HG2 ILE 102 -22.539 5.791 2.938 793 1HD1 ILE 102 1HD1 ILE 102 -25.495 6.697 2.387 794 2HD1 ILE 102 2HD1 ILE 102 -24.851 6.035 0.865 795 3HD1 ILE 102 3HD1 ILE 102 -26.598 5.956 1.202 796 H ASP 103 H ASP 103 -25.432 5.062 5.830 797 HA ASP 103 HA ASP 103 -27.783 3.398 6.122 798 1HB ASP 103 1HB ASP 103 -25.774 3.795 8.150 799 2HB ASP 103 2HB ASP 103 -27.203 4.678 8.652 800 H SER 104 H SER 104 -29.429 4.862 7.637 801 HA SER 104 HA SER 104 -30.674 6.636 7.728 802 1HB SER 104 1HB SER 104 -28.868 7.650 8.998 803 2HB SER 104 2HB SER 104 -27.985 8.054 7.539 804 HG SER 104 HG SER 104 -30.480 9.142 7.354 No H/Q in entry = 804 Start of MODEL 38 1 H ALA 1 H ALA 1 33.486 2.057 -29.811 2 HA ALA 1 HA ALA 1 32.314 -0.389 -28.737 3 1HB ALA 1 2HB ALA 1 31.220 0.832 -26.931 4 2HB ALA 1 3HB ALA 1 32.982 1.062 -26.810 5 3HB ALA 1 1HB ALA 1 31.957 2.359 -27.473 6 H GLU 2 H GLU 2 29.963 -0.465 -29.041 7 HA GLU 2 HA GLU 2 28.512 1.547 -30.190 8 1HB GLU 2 1HB GLU 2 28.356 0.666 -32.582 9 2HB GLU 2 2HB GLU 2 29.842 1.504 -32.177 10 1HG GLU 2 1HG GLU 2 30.921 -0.741 -31.700 11 2HG GLU 2 2HG GLU 2 29.450 -1.524 -32.243 12 H GLU 3 H GLU 3 26.406 0.964 -29.822 13 HA GLU 3 HA GLU 3 25.286 -1.400 -30.568 14 1HB GLU 3 1HB GLU 3 26.900 -1.773 -28.237 15 2HB GLU 3 2HB GLU 3 25.231 -1.845 -27.704 16 1HG GLU 3 1HG GLU 3 24.806 -3.467 -29.667 17 2HG GLU 3 2HG GLU 3 26.545 -3.530 -29.881 18 H SER 4 H SER 4 23.158 -1.813 -28.984 19 HA SER 4 HA SER 4 22.234 0.401 -27.595 20 1HB SER 4 1HB SER 4 21.980 0.612 -30.474 21 2HB SER 4 2HB SER 4 20.379 0.471 -29.775 22 HG SER 4 HG SER 4 21.417 2.186 -28.164 23 H SER 5 H SER 5 19.692 0.167 -27.277 24 HA SER 5 HA SER 5 18.601 -2.336 -27.957 25 1HB SER 5 1HB SER 5 18.544 -3.418 -25.821 26 2HB SER 5 2HB SER 5 20.211 -2.944 -26.077 27 HG SER 5 HG SER 5 19.992 -1.234 -24.623 28 H LYS 6 H LYS 6 16.352 -2.583 -26.902 29 HA LYS 6 HA LYS 6 15.248 -0.459 -25.446 30 1HB LYS 6 1HB LYS 6 13.912 0.655 -27.119 31 2HB LYS 6 2HB LYS 6 15.607 0.797 -27.536 32 1HG LYS 6 1HG LYS 6 14.795 -1.602 -28.785 33 2HG LYS 6 2HG LYS 6 13.433 -0.523 -29.011 34 1HD LYS 6 1HD LYS 6 16.041 0.797 -29.487 35 2HD LYS 6 2HD LYS 6 15.756 -0.558 -30.561 36 1HE LYS 6 1HE LYS 6 14.212 0.609 -31.754 37 2HE LYS 6 2HE LYS 6 13.321 1.035 -30.307 38 1HZ LYS 6 1HZ LYS 6 15.327 2.648 -30.018 39 2HZ LYS 6 2HZ LYS 6 15.435 2.498 -31.640 40 3HZ LYS 6 3HZ LYS 6 14.056 3.051 -30.960 41 H ALA 7 H ALA 7 12.601 -0.626 -25.957 42 HA ALA 7 HA ALA 7 10.826 -1.910 -25.653 43 1HB ALA 7 2HB ALA 7 11.125 -2.638 -27.916 44 2HB ALA 7 1HB ALA 7 10.778 -4.098 -26.960 45 3HB ALA 7 3HB ALA 7 12.448 -3.738 -27.459 46 H VAL 8 H VAL 8 11.555 -1.879 -23.340 47 HA VAL 8 HA VAL 8 13.110 -3.538 -22.011 48 HB VAL 8 HB VAL 8 12.039 -2.423 -20.434 49 1HG1 VAL 8 2HG1 VAL 8 9.853 -2.167 -22.496 50 2HG1 VAL 8 3HG1 VAL 8 9.609 -1.587 -20.831 51 3HG1 VAL 8 1HG1 VAL 8 10.924 -0.914 -21.822 52 1HG2 VAL 8 1HG2 VAL 8 9.850 -4.482 -20.874 53 2HG2 VAL 8 2HG2 VAL 8 11.252 -4.626 -19.787 54 3HG2 VAL 8 3HG2 VAL 8 9.985 -3.422 -19.450 55 H LYS 9 H LYS 9 9.789 -4.459 -23.156 56 HA LYS 9 HA LYS 9 9.021 -6.433 -23.826 57 1HB LYS 9 1HB LYS 9 11.788 -6.779 -24.174 58 2HB LYS 9 2HB LYS 9 11.262 -8.200 -23.292 59 1HG LYS 9 1HG LYS 9 9.425 -8.542 -24.977 60 2HG LYS 9 2HG LYS 9 10.000 -7.148 -25.869 61 1HD LYS 9 1HD LYS 9 12.339 -8.515 -25.714 62 2HD LYS 9 2HD LYS 9 11.239 -9.874 -25.593 63 1HE LYS 9 1HE LYS 9 10.165 -9.290 -27.709 64 2HE LYS 9 2HE LYS 9 11.021 -7.763 -27.788 65 1HZ LYS 9 3HZ LYS 9 12.723 -10.044 -27.529 66 2HZ LYS 9 1HZ LYS 9 11.856 -10.025 -28.912 67 3HZ LYS 9 2HZ LYS 9 12.836 -8.772 -28.544 68 H TYR 10 H TYR 10 11.278 -6.810 -21.005 69 HA TYR 10 HA TYR 10 8.976 -7.794 -19.484 70 1HB TYR 10 1HB TYR 10 11.203 -9.218 -18.546 71 2HB TYR 10 2HB TYR 10 10.031 -9.873 -19.672 72 HD1 TYR 10 HD1 TYR 10 10.695 -10.546 -21.825 73 HD2 TYR 10 HD2 TYR 10 13.252 -7.980 -19.549 74 HE1 TYR 10 HE1 TYR 10 12.527 -10.816 -23.566 75 HE2 TYR 10 HE2 TYR 10 15.075 -8.258 -21.299 76 HH TYR 10 HH TYR 10 15.311 -8.822 -23.576 77 H TYR 11 H TYR 11 8.748 -6.675 -17.616 78 HA TYR 11 HA TYR 11 11.189 -5.505 -16.464 79 1HB TYR 11 1HB TYR 11 8.639 -4.367 -17.480 80 2HB TYR 11 2HB TYR 11 8.879 -3.944 -15.796 81 HD1 TYR 11 HD1 TYR 11 11.831 -4.436 -17.902 82 HD2 TYR 11 HD2 TYR 11 9.026 -1.559 -16.433 83 HE1 TYR 11 HE1 TYR 11 13.390 -2.551 -18.595 84 HE2 TYR 11 HE2 TYR 11 10.595 0.316 -17.131 85 HH TYR 11 HH TYR 11 13.635 -0.409 -18.812 86 H THR 12 H THR 12 10.860 -4.894 -14.092 87 HA THR 12 HA THR 12 9.205 -6.977 -12.832 88 HB THR 12 HB THR 12 10.896 -6.927 -11.045 89 HG1 THR 12 HG1 THR 12 12.691 -5.324 -11.458 90 1HG2 THR 12 2HG2 THR 12 12.126 -6.856 -13.846 91 2HG2 THR 12 3HG2 THR 12 13.058 -7.272 -12.387 92 3HG2 THR 12 1HG2 THR 12 11.696 -8.299 -12.898 93 H LEU 13 H LEU 13 8.094 -6.472 -10.842 94 HA LEU 13 HA LEU 13 6.499 -4.296 -10.981 95 1HB LEU 13 1HB LEU 13 7.274 -6.238 -8.922 96 2HB LEU 13 2HB LEU 13 6.673 -4.724 -8.276 97 HG LEU 13 HG LEU 13 5.230 -6.618 -10.143 98 1HD1 LEU 13 1HD1 LEU 13 5.426 -7.041 -7.598 99 2HD1 LEU 13 2HD1 LEU 13 4.278 -5.689 -7.446 100 3HD1 LEU 13 3HD1 LEU 13 3.825 -7.141 -8.369 101 1HD2 LEU 13 2HD2 LEU 13 4.919 -3.781 -9.920 102 2HD2 LEU 13 3HD2 LEU 13 3.997 -4.942 -10.904 103 3HD2 LEU 13 1HD2 LEU 13 3.481 -4.579 -9.240 104 H GLU 14 H GLU 14 9.769 -4.533 -9.528 105 HA GLU 14 HA GLU 14 9.663 -2.007 -8.332 106 1HB GLU 14 1HB GLU 14 11.468 -4.187 -8.448 107 2HB GLU 14 2HB GLU 14 12.364 -2.828 -9.095 108 1HG GLU 14 1HG GLU 14 12.765 -2.623 -6.785 109 2HG GLU 14 2HG GLU 14 11.439 -1.503 -7.024 110 H GLU 15 H GLU 15 11.096 -3.208 -11.444 111 HA GLU 15 HA GLU 15 12.212 -0.903 -12.297 112 1HB GLU 15 1HB GLU 15 12.296 -3.174 -13.413 113 2HB GLU 15 2HB GLU 15 10.692 -2.877 -14.057 114 1HG GLU 15 1HG GLU 15 12.214 -2.231 -15.796 115 2HG GLU 15 2HG GLU 15 11.619 -0.731 -15.113 116 H ILE 16 H ILE 16 8.760 -1.863 -12.337 117 HA ILE 16 HA ILE 16 8.003 0.441 -13.875 118 HB ILE 16 HB ILE 16 6.246 -1.475 -12.345 119 1HG1 ILE 16 1HG1 ILE 16 6.525 -1.974 -15.212 120 2HG1 ILE 16 2HG1 ILE 16 8.039 -2.185 -14.356 121 1HG2 ILE 16 3HG2 ILE 16 5.771 0.473 -14.605 122 2HG2 ILE 16 1HG2 ILE 16 4.647 -0.851 -14.218 123 3HG2 ILE 16 2HG2 ILE 16 4.988 0.408 -13.008 124 1HD1 ILE 16 1HD1 ILE 16 5.942 -3.351 -12.750 125 2HD1 ILE 16 2HD1 ILE 16 5.791 -3.960 -14.416 126 3HD1 ILE 16 3HD1 ILE 16 7.322 -4.162 -13.528 127 H GLN 17 H GLN 17 8.179 -0.565 -10.449 128 HA GLN 17 HA GLN 17 6.637 1.512 -9.449 129 1HB GLN 17 1HB GLN 17 7.775 -0.705 -8.378 130 2HB GLN 17 2HB GLN 17 8.936 0.483 -7.821 131 1HG GLN 17 1HG GLN 17 6.139 1.379 -7.465 132 2HG GLN 17 2HG GLN 17 6.483 -0.110 -6.606 133 1HE2 GLN 17 1HE2 GLN 17 5.953 2.575 -5.608 134 2HE2 GLN 17 2HE2 GLN 17 7.297 3.039 -4.620 135 H LYS 18 H LYS 18 10.131 1.235 -10.248 136 HA LYS 18 HA LYS 18 10.911 3.651 -9.062 137 1HB LYS 18 1HB LYS 18 12.135 2.106 -11.367 138 2HB LYS 18 2HB LYS 18 12.917 3.408 -10.494 139 1HG LYS 18 1HG LYS 18 12.568 2.064 -8.346 140 2HG LYS 18 2HG LYS 18 11.996 0.737 -9.338 141 1HD LYS 18 1HD LYS 18 14.173 0.090 -9.485 142 2HD LYS 18 2HD LYS 18 14.385 1.424 -10.601 143 1HE LYS 18 1HE LYS 18 14.555 2.702 -8.128 144 2HE LYS 18 2HE LYS 18 15.304 1.153 -7.793 145 1HZ LYS 18 2HZ LYS 18 16.366 1.813 -10.155 146 2HZ LYS 18 3HZ LYS 18 16.230 3.279 -9.449 147 3HZ LYS 18 1HZ LYS 18 17.074 2.092 -8.711 148 H HIS 19 H HIS 19 9.228 2.851 -12.063 149 HA HIS 19 HA HIS 19 9.627 5.576 -13.009 150 1HB HIS 19 1HB HIS 19 8.708 3.010 -14.281 151 2HB HIS 19 2HB HIS 19 8.289 4.545 -15.014 152 HD1 HIS 19 HD1 HIS 19 9.802 4.552 -17.037 153 HD2 HIS 19 HD2 HIS 19 11.859 3.697 -13.483 154 HE1 HIS 19 HE1 HIS 19 12.283 4.524 -17.635 155 HE2 HIS 19 HE2 HIS 19 13.498 4.046 -15.400 156 H ASN 20 H ASN 20 8.322 6.745 -11.533 157 HA ASN 20 HA ASN 20 5.498 6.334 -12.031 158 1HB ASN 20 1HB ASN 20 5.670 5.315 -9.873 159 2HB ASN 20 2HB ASN 20 6.892 6.450 -9.331 160 1HD2 ASN 20 1HD2 ASN 20 3.747 6.897 -10.936 161 2HD2 ASN 20 2HD2 ASN 20 3.027 7.916 -9.734 162 H ASN 21 H ASN 21 7.867 8.239 -12.748 163 HA ASN 21 HA ASN 21 6.802 10.671 -11.569 164 1HB ASN 21 1HB ASN 21 9.456 9.927 -12.858 165 2HB ASN 21 2HB ASN 21 8.980 11.613 -12.778 166 1HD2 ASN 21 1HD2 ASN 21 10.053 8.831 -11.056 167 2HD2 ASN 21 2HD2 ASN 21 10.279 9.548 -9.496 168 H SER 22 H SER 22 6.452 12.549 -13.087 169 HA SER 22 HA SER 22 4.991 11.860 -15.285 170 1HB SER 22 1HB SER 22 4.636 14.019 -14.376 171 2HB SER 22 2HB SER 22 6.343 14.420 -14.401 172 HG SER 22 HG SER 22 5.504 15.530 -16.134 173 H LYS 23 H LYS 23 8.421 11.869 -14.865 174 HA LYS 23 HA LYS 23 8.937 12.248 -17.702 175 1HB LYS 23 1HB LYS 23 10.333 12.920 -15.388 176 2HB LYS 23 2HB LYS 23 11.213 11.539 -16.008 177 1HG LYS 23 1HG LYS 23 11.086 12.730 -18.330 178 2HG LYS 23 2HG LYS 23 10.604 14.157 -17.434 179 1HD LYS 23 1HD LYS 23 12.682 14.308 -16.291 180 2HD LYS 23 2HD LYS 23 13.081 12.627 -16.588 181 1HE LYS 23 1HE LYS 23 12.950 13.441 -19.164 182 2HE LYS 23 2HE LYS 23 13.320 14.993 -18.437 183 1HZ LYS 23 1HZ LYS 23 15.147 13.735 -17.252 184 2HZ LYS 23 2HZ LYS 23 14.906 12.542 -18.341 185 3HZ LYS 23 3HZ LYS 23 15.358 14.028 -18.845 186 H SER 24 H SER 24 8.804 9.745 -15.160 187 HA SER 24 HA SER 24 9.172 7.803 -17.300 188 1HB SER 24 1HB SER 24 10.082 6.449 -15.072 189 2HB SER 24 2HB SER 24 11.107 7.196 -16.279 190 HG SER 24 HG SER 24 11.530 8.903 -14.960 191 H THR 25 H THR 25 6.716 8.068 -17.231 192 HA THR 25 HA THR 25 5.485 6.846 -14.882 193 HB THR 25 HB THR 25 4.003 7.884 -17.313 194 HG1 THR 25 HG1 THR 25 4.320 10.004 -15.982 195 1HG2 THR 25 3HG2 THR 25 3.624 8.025 -14.278 196 2HG2 THR 25 1HG2 THR 25 2.600 8.902 -15.440 197 3HG2 THR 25 2HG2 THR 25 2.618 7.122 -15.437 198 H TRP 26 H TRP 26 5.929 4.672 -14.930 199 HA TRP 26 HA TRP 26 5.021 3.292 -17.364 200 1HB TRP 26 1HB TRP 26 7.400 2.960 -15.660 201 2HB TRP 26 2HB TRP 26 6.566 1.470 -16.048 202 HD1 TRP 26 HD1 TRP 26 7.394 0.396 -18.274 203 HE1 TRP 26 HE1 TRP 26 8.566 1.139 -20.519 204 HE3 TRP 26 HE3 TRP 26 7.458 5.367 -17.210 205 HZ2 TRP 26 HZ2 TRP 26 9.369 3.666 -21.574 206 HZ3 TRP 26 HZ3 TRP 26 8.453 6.905 -18.900 207 HH2 TRP 26 HH2 TRP 26 9.389 6.127 -21.021 208 H LEU 27 H LEU 27 3.588 1.514 -17.067 209 HA LEU 27 HA LEU 27 2.847 0.843 -14.346 210 1HB LEU 27 1HB LEU 27 0.685 1.542 -14.398 211 2HB LEU 27 2HB LEU 27 1.482 2.852 -15.245 212 HG LEU 27 HG LEU 27 -0.447 2.456 -16.489 213 1HD1 LEU 27 3HD1 LEU 27 1.955 2.185 -17.689 214 2HD1 LEU 27 1HD1 LEU 27 1.193 0.650 -18.170 215 3HD1 LEU 27 2HD1 LEU 27 0.404 2.197 -18.562 216 1HD2 LEU 27 1HD2 LEU 27 -0.492 -0.022 -15.317 217 2HD2 LEU 27 2HD2 LEU 27 -1.614 0.550 -16.575 218 3HD2 LEU 27 3HD2 LEU 27 -0.189 -0.419 -17.025 219 H ILE 28 H ILE 28 1.093 -1.001 -14.471 220 HA ILE 28 HA ILE 28 1.766 -2.673 -16.791 221 HB ILE 28 HB ILE 28 1.195 -3.898 -14.135 222 1HG1 ILE 28 1HG1 ILE 28 4.029 -3.159 -14.760 223 2HG1 ILE 28 2HG1 ILE 28 2.993 -1.950 -14.031 224 1HG2 ILE 28 1HG2 ILE 28 2.332 -4.666 -16.730 225 2HG2 ILE 28 2HG2 ILE 28 3.265 -5.245 -15.329 226 3HG2 ILE 28 3HG2 ILE 28 1.539 -5.651 -15.480 227 1HD1 ILE 28 2HD1 ILE 28 2.350 -3.989 -12.400 228 2HD1 ILE 28 3HD1 ILE 28 3.960 -4.561 -12.898 229 3HD1 ILE 28 1HD1 ILE 28 3.784 -2.977 -12.107 230 H LEU 29 H LEU 29 0.046 -3.364 -17.954 231 HA LEU 29 HA LEU 29 -2.565 -3.226 -16.614 232 1HB LEU 29 1HB LEU 29 -1.613 -1.812 -18.902 233 2HB LEU 29 2HB LEU 29 -2.845 -2.942 -19.430 234 HG LEU 29 HG LEU 29 -3.078 -0.542 -17.679 235 1HD1 LEU 29 3HD1 LEU 29 -4.846 -1.804 -19.792 236 2HD1 LEU 29 1HD1 LEU 29 -5.198 -0.288 -18.929 237 3HD1 LEU 29 2HD1 LEU 29 -3.773 -0.398 -19.989 238 1HD2 LEU 29 3HD2 LEU 29 -4.538 -3.111 -17.192 239 2HD2 LEU 29 1HD2 LEU 29 -3.936 -1.896 -16.038 240 3HD2 LEU 29 2HD2 LEU 29 -5.401 -1.567 -16.994 241 H HIS 30 H HIS 30 -3.563 -5.158 -16.439 242 HA HIS 30 HA HIS 30 -4.176 -7.226 -16.850 243 1HB HIS 30 1HB HIS 30 -4.560 -6.359 -19.171 244 2HB HIS 30 2HB HIS 30 -2.961 -6.926 -19.610 245 HD1 HIS 30 HD1 HIS 30 -2.634 -9.461 -19.990 246 HD2 HIS 30 HD2 HIS 30 -6.493 -8.423 -18.716 247 HE1 HIS 30 HE1 HIS 30 -4.076 -11.541 -20.312 248 HE2 HIS 30 HE2 HIS 30 -6.423 -10.861 -19.461 249 H TYR 31 H TYR 31 -0.995 -6.833 -18.580 250 HA TYR 31 HA TYR 31 0.439 -8.204 -16.588 251 1HB TYR 31 1HB TYR 31 0.003 -10.376 -17.288 252 2HB TYR 31 2HB TYR 31 -1.099 -9.755 -18.500 253 HD1 TYR 31 HD1 TYR 31 2.391 -10.803 -17.864 254 HD2 TYR 31 HD2 TYR 31 -0.460 -9.610 -20.822 255 HE1 TYR 31 HE1 TYR 31 3.964 -11.581 -19.703 256 HE2 TYR 31 HE2 TYR 31 1.123 -10.390 -22.653 257 HH TYR 31 HH TYR 31 4.046 -12.150 -21.877 258 H LYS 32 H LYS 32 0.191 -6.036 -18.965 259 HA LYS 32 HA LYS 32 2.992 -6.394 -19.778 260 1HB LYS 32 1HB LYS 32 0.848 -5.094 -21.472 261 2HB LYS 32 2HB LYS 32 2.490 -5.493 -21.936 262 1HG LYS 32 1HG LYS 32 1.696 -7.483 -22.688 263 2HG LYS 32 2HG LYS 32 1.461 -7.943 -21.013 264 1HD LYS 32 1HD LYS 32 -0.819 -7.660 -21.112 265 2HD LYS 32 2HD LYS 32 -0.700 -6.213 -22.096 266 1HE LYS 32 1HE LYS 32 -0.076 -7.722 -24.074 267 2HE LYS 32 2HE LYS 32 -0.459 -9.100 -23.060 268 1HZ LYS 32 1HZ LYS 32 -2.478 -7.074 -23.104 269 2HZ LYS 32 2HZ LYS 32 -2.227 -7.797 -24.548 270 3HZ LYS 32 3HZ LYS 32 -2.624 -8.696 -23.243 271 H VAL 33 H VAL 33 4.158 -4.330 -20.175 272 HA VAL 33 HA VAL 33 3.127 -2.279 -18.348 273 HB VAL 33 HB VAL 33 5.641 -1.591 -18.505 274 1HG1 VAL 33 2HG1 VAL 33 4.411 -3.838 -16.926 275 2HG1 VAL 33 3HG1 VAL 33 6.129 -3.429 -16.709 276 3HG1 VAL 33 1HG1 VAL 33 4.878 -2.204 -16.400 277 1HG2 VAL 33 3HG2 VAL 33 6.172 -3.195 -20.333 278 2HG2 VAL 33 1HG2 VAL 33 7.187 -3.417 -18.889 279 3HG2 VAL 33 2HG2 VAL 33 5.841 -4.537 -19.212 280 H TYR 34 H TYR 34 2.819 -0.181 -19.057 281 HA TYR 34 HA TYR 34 3.490 0.305 -21.881 282 1HB TYR 34 1HB TYR 34 1.121 1.345 -20.211 283 2HB TYR 34 2HB TYR 34 1.311 1.523 -21.944 284 HD1 TYR 34 HD1 TYR 34 1.103 -1.194 -19.360 285 HD2 TYR 34 HD2 TYR 34 0.152 0.067 -23.336 286 HE1 TYR 34 HE1 TYR 34 -0.215 -3.336 -19.732 287 HE2 TYR 34 HE2 TYR 34 -1.163 -2.079 -23.695 288 HH TYR 34 HH TYR 34 -2.279 -3.736 -22.430 289 H ASP 35 H ASP 35 3.823 2.600 -22.444 290 HA ASP 35 HA ASP 35 5.197 3.893 -20.284 291 1HB ASP 35 1HB ASP 35 5.878 3.650 -22.845 292 2HB ASP 35 2HB ASP 35 4.850 5.052 -23.063 293 H LEU 36 H LEU 36 3.516 4.768 -18.930 294 HA LEU 36 HA LEU 36 1.213 6.000 -19.919 295 1HB LEU 36 1HB LEU 36 2.663 6.033 -17.288 296 2HB LEU 36 2HB LEU 36 1.253 7.041 -17.550 297 HG LEU 36 HG LEU 36 1.453 4.054 -17.384 298 1HD1 LEU 36 3HD1 LEU 36 0.409 6.171 -15.778 299 2HD1 LEU 36 1HD1 LEU 36 -0.940 5.127 -16.284 300 3HD1 LEU 36 2HD1 LEU 36 0.459 4.424 -15.438 301 1HD2 LEU 36 3HD2 LEU 36 -0.551 5.596 -19.013 302 2HD2 LEU 36 1HD2 LEU 36 0.320 4.095 -19.409 303 3HD2 LEU 36 2HD2 LEU 36 -1.000 4.070 -18.216 304 H THR 37 H THR 37 4.527 7.170 -19.318 305 HA THR 37 HA THR 37 4.291 9.830 -19.150 306 HB THR 37 HB THR 37 6.151 8.148 -20.908 307 HG1 THR 37 HG1 THR 37 7.453 8.699 -18.877 308 1HG2 THR 37 3HG2 THR 37 5.945 10.942 -20.986 309 2HG2 THR 37 1HG2 THR 37 7.165 10.665 -19.719 310 3HG2 THR 37 2HG2 THR 37 7.418 10.012 -21.355 311 H LYS 38 H LYS 38 3.354 7.857 -21.942 312 HA LYS 38 HA LYS 38 3.029 10.207 -23.590 313 1HB LYS 38 1HB LYS 38 3.734 8.454 -24.894 314 2HB LYS 38 2HB LYS 38 2.864 7.249 -23.967 315 1HG LYS 38 1HG LYS 38 1.572 7.352 -25.923 316 2HG LYS 38 2HG LYS 38 0.699 8.452 -24.875 317 1HD LYS 38 1HD LYS 38 2.886 9.779 -26.366 318 2HD LYS 38 2HD LYS 38 1.684 9.059 -27.419 319 1HE LYS 38 1HE LYS 38 -0.071 10.226 -25.833 320 2HE LYS 38 2HE LYS 38 1.288 11.194 -25.293 321 1HZ LYS 38 2HZ LYS 38 1.226 11.022 -28.103 322 2HZ LYS 38 3HZ LYS 38 -0.197 11.589 -27.537 323 3HZ LYS 38 1HZ LYS 38 1.195 12.349 -27.152 324 H PHE 39 H PHE 39 0.938 7.678 -22.044 325 HA PHE 39 HA PHE 39 -1.468 8.856 -22.834 326 1HB PHE 39 1HB PHE 39 -0.840 7.257 -20.286 327 2HB PHE 39 2HB PHE 39 -2.375 7.294 -21.130 328 HD1 PHE 39 HD1 PHE 39 -1.409 4.723 -20.533 329 HD2 PHE 39 HD2 PHE 39 -0.279 7.221 -23.772 330 HE1 PHE 39 HE1 PHE 39 -0.731 2.700 -21.855 331 HE2 PHE 39 HE2 PHE 39 0.400 5.197 -25.095 332 HZ PHE 39 HZ PHE 39 0.165 2.962 -24.121 333 H LEU 40 H LEU 40 0.898 9.860 -20.520 334 HA LEU 40 HA LEU 40 -0.525 10.885 -18.450 335 1HB LEU 40 1HB LEU 40 1.959 11.717 -19.881 336 2HB LEU 40 2HB LEU 40 1.294 12.787 -18.662 337 HG LEU 40 HG LEU 40 2.391 10.001 -18.328 338 1HD1 LEU 40 1HD1 LEU 40 3.274 12.699 -17.741 339 2HD1 LEU 40 2HD1 LEU 40 3.258 11.688 -16.277 340 3HD1 LEU 40 3HD1 LEU 40 4.178 11.168 -17.708 341 1HD2 LEU 40 2HD2 LEU 40 0.270 11.314 -16.727 342 2HD2 LEU 40 3HD2 LEU 40 0.649 9.590 -16.953 343 3HD2 LEU 40 1HD2 LEU 40 1.603 10.569 -15.814 344 H GLU 41 H GLU 41 0.534 13.073 -21.135 345 HA GLU 41 HA GLU 41 -1.067 15.108 -20.660 346 1HB GLU 41 1HB GLU 41 0.438 14.182 -22.866 347 2HB GLU 41 2HB GLU 41 -1.143 14.541 -23.532 348 1HG GLU 41 1HG GLU 41 -0.628 16.704 -21.793 349 2HG GLU 41 2HG GLU 41 0.923 16.386 -22.542 350 H GLU 42 H GLU 42 -2.059 12.546 -23.055 351 HA GLU 42 HA GLU 42 -4.645 13.378 -23.273 352 1HB GLU 42 1HB GLU 42 -3.108 10.919 -23.879 353 2HB GLU 42 2HB GLU 42 -4.819 10.626 -23.628 354 1HG GLU 42 1HG GLU 42 -3.841 12.863 -25.449 355 2HG GLU 42 2HG GLU 42 -4.036 11.224 -26.038 356 H HIS 43 H HIS 43 -6.375 11.231 -22.682 357 HA HIS 43 HA HIS 43 -7.342 10.067 -21.031 358 1HB HIS 43 1HB HIS 43 -4.869 10.280 -19.924 359 2HB HIS 43 2HB HIS 43 -5.801 11.221 -18.774 360 HD1 HIS 43 HD1 HIS 43 -4.661 7.906 -19.214 361 HD2 HIS 43 HD2 HIS 43 -8.346 9.558 -18.080 362 HE1 HIS 43 HE1 HIS 43 -5.926 6.059 -17.990 363 HE2 HIS 43 HE2 HIS 43 -8.160 7.151 -17.269 364 HA PRO 44 HA PRO 44 -9.958 13.438 -20.157 365 1HB PRO 44 1HB PRO 44 -12.189 12.018 -19.475 366 2HB PRO 44 2HB PRO 44 -11.759 12.389 -21.133 367 1HG PRO 44 1HG PRO 44 -11.526 9.820 -19.687 368 2HG PRO 44 2HG PRO 44 -11.512 10.114 -21.416 369 1HD PRO 44 1HD PRO 44 -9.245 9.548 -19.752 370 2HD PRO 44 2HD PRO 44 -9.218 9.955 -21.455 371 H GLY 45 H GLY 45 -8.437 11.530 -18.037 372 1HA GLY 45 2HA GLY 45 -8.770 11.263 -15.716 373 2HA GLY 45 1HA GLY 45 -9.881 12.618 -15.713 374 H GLY 46 H GLY 46 -6.550 12.225 -17.117 375 1HA GLY 46 2HA GLY 46 -5.634 14.374 -15.313 376 2HA GLY 46 1HA GLY 46 -5.356 14.467 -17.040 377 H GLU 47 H GLU 47 -3.049 14.410 -16.794 378 HA GLU 47 HA GLU 47 -1.796 12.148 -17.232 379 1HB GLU 47 1HB GLU 47 -0.727 14.403 -15.478 380 2HB GLU 47 2HB GLU 47 0.269 13.196 -16.267 381 1HG GLU 47 1HG GLU 47 0.263 14.413 -18.175 382 2HG GLU 47 2HG GLU 47 -1.481 14.280 -18.274 383 H GLU 48 H GLU 48 -2.516 13.442 -13.929 384 HA GLU 48 HA GLU 48 -1.199 11.602 -12.453 385 1HB GLU 48 1HB GLU 48 -3.051 13.636 -11.981 386 2HB GLU 48 2HB GLU 48 -3.881 12.215 -11.378 387 1HG GLU 48 1HG GLU 48 -2.409 11.920 -9.637 388 2HG GLU 48 2HG GLU 48 -1.013 12.356 -10.603 389 H VAL 49 H VAL 49 -4.569 11.357 -13.775 390 HA VAL 49 HA VAL 49 -5.450 9.072 -12.737 391 HB VAL 49 HB VAL 49 -6.448 10.574 -14.527 392 1HG1 VAL 49 1HG1 VAL 49 -4.342 9.684 -16.065 393 2HG1 VAL 49 2HG1 VAL 49 -5.697 8.698 -16.662 394 3HG1 VAL 49 3HG1 VAL 49 -5.813 10.474 -16.680 395 1HG2 VAL 49 3HG2 VAL 49 -6.757 7.561 -14.753 396 2HG2 VAL 49 1HG2 VAL 49 -7.646 8.649 -13.661 397 3HG2 VAL 49 2HG2 VAL 49 -7.891 8.758 -15.422 398 H LEU 50 H LEU 50 -2.703 9.438 -14.958 399 HA LEU 50 HA LEU 50 -2.451 6.523 -15.062 400 1HB LEU 50 1HB LEU 50 -1.099 8.668 -16.704 401 2HB LEU 50 2HB LEU 50 -0.864 6.942 -16.886 402 HG LEU 50 HG LEU 50 -3.686 7.737 -17.053 403 1HD1 LEU 50 3HD1 LEU 50 -1.717 9.320 -18.497 404 2HD1 LEU 50 1HD1 LEU 50 -2.833 8.474 -19.597 405 3HD1 LEU 50 2HD1 LEU 50 -3.475 9.547 -18.330 406 1HD2 LEU 50 3HD2 LEU 50 -2.199 5.576 -17.782 407 2HD2 LEU 50 1HD2 LEU 50 -3.813 5.966 -18.426 408 3HD2 LEU 50 2HD2 LEU 50 -2.355 6.428 -19.337 409 H ARG 51 H ARG 51 -0.916 9.561 -13.977 410 HA ARG 51 HA ARG 51 1.527 8.418 -13.329 411 1HB ARG 51 1HB ARG 51 0.497 10.972 -13.354 412 2HB ARG 51 2HB ARG 51 0.536 10.678 -11.627 413 1HG ARG 51 1HG ARG 51 3.021 9.699 -12.613 414 2HG ARG 51 2HG ARG 51 2.754 11.213 -13.453 415 1HD ARG 51 1HD ARG 51 1.998 11.740 -10.769 416 2HD ARG 51 2HD ARG 51 3.445 10.762 -10.640 417 HE ARG 51 HE ARG 51 3.911 12.729 -12.650 418 1HH1 ARG 51 2HH1 ARG 51 5.128 14.611 -12.203 419 2HH1 ARG 51 1HH1 ARG 51 5.318 15.152 -10.568 420 1HH2 ARG 51 2HH2 ARG 51 3.415 12.537 -9.172 421 2HH2 ARG 51 1HH2 ARG 51 4.336 13.964 -8.832 422 H GLU 52 H GLU 52 -1.534 8.938 -11.482 423 HA GLU 52 HA GLU 52 -0.545 8.171 -9.016 424 1HB GLU 52 1HB GLU 52 -2.926 7.870 -8.396 425 2HB GLU 52 2HB GLU 52 -2.682 9.353 -9.298 426 1HG GLU 52 1HG GLU 52 -4.015 8.654 -11.010 427 2HG GLU 52 2HG GLU 52 -3.228 7.090 -11.094 428 H GLN 53 H GLN 53 -1.191 6.338 -11.894 429 HA GLN 53 HA GLN 53 -1.349 3.891 -10.334 430 1HB GLN 53 1HB GLN 53 -2.035 2.833 -12.503 431 2HB GLN 53 2HB GLN 53 -3.121 4.107 -11.984 432 1HG GLN 53 1HG GLN 53 -1.930 5.719 -13.502 433 2HG GLN 53 2HG GLN 53 -0.883 4.421 -14.041 434 1HE2 GLN 53 1HE2 GLN 53 -4.082 5.777 -14.086 435 2HE2 GLN 53 2HE2 GLN 53 -4.749 4.821 -15.369 436 H ALA 54 H ALA 54 0.722 5.840 -12.381 437 HA ALA 54 HA ALA 54 2.399 3.833 -13.375 438 1HB ALA 54 1HB ALA 54 2.129 6.584 -13.607 439 2HB ALA 54 3HB ALA 54 3.436 5.607 -14.319 440 3HB ALA 54 2HB ALA 54 3.678 6.410 -12.748 441 H GLY 55 H GLY 55 3.801 2.498 -12.352 442 1HA GLY 55 2HA GLY 55 4.654 3.273 -9.627 443 2HA GLY 55 1HA GLY 55 5.761 2.600 -10.808 444 H GLY 56 H GLY 56 3.217 0.955 -11.804 445 1HA GLY 56 2HA GLY 56 2.789 -0.887 -9.622 446 2HA GLY 56 1HA GLY 56 3.849 -1.503 -10.873 447 H ASP 57 H ASP 57 1.557 -2.901 -10.548 448 HA ASP 57 HA ASP 57 0.414 -2.798 -13.043 449 1HB ASP 57 1HB ASP 57 0.046 -4.862 -12.096 450 2HB ASP 57 2HB ASP 57 -0.066 -4.209 -10.473 451 H ALA 58 H ALA 58 -1.400 -1.674 -13.859 452 HA ALA 58 HA ALA 58 -2.808 0.032 -11.923 453 1HB ALA 58 1HB ALA 58 -1.373 1.016 -13.847 454 2HB ALA 58 2HB ALA 58 -2.680 0.459 -14.918 455 3HB ALA 58 3HB ALA 58 -3.024 1.642 -13.634 456 H THR 59 H THR 59 -3.020 -2.726 -13.984 457 HA THR 59 HA THR 59 -5.558 -2.603 -15.018 458 HB THR 59 HB THR 59 -3.478 -4.494 -14.668 459 HG1 THR 59 HG1 THR 59 -5.354 -5.673 -16.008 460 1HG2 THR 59 2HG2 THR 59 -6.149 -5.424 -13.508 461 2HG2 THR 59 3HG2 THR 59 -4.973 -6.550 -14.225 462 3HG2 THR 59 1HG2 THR 59 -4.533 -5.604 -12.783 463 H GLU 60 H GLU 60 -4.660 -3.974 -11.777 464 HA GLU 60 HA GLU 60 -7.024 -4.665 -10.863 465 1HB GLU 60 1HB GLU 60 -4.546 -3.719 -9.685 466 2HB GLU 60 2HB GLU 60 -5.892 -3.139 -8.724 467 1HG GLU 60 1HG GLU 60 -6.428 -5.887 -9.455 468 2HG GLU 60 2HG GLU 60 -4.794 -5.799 -8.824 469 H ASN 61 H ASN 61 -5.965 -1.327 -11.491 470 HA ASN 61 HA ASN 61 -8.311 -0.283 -10.201 471 1HB ASN 61 1HB ASN 61 -5.706 0.727 -10.977 472 2HB ASN 61 2HB ASN 61 -6.919 1.713 -11.771 473 1HD2 ASN 61 1HD2 ASN 61 -5.207 1.142 -8.958 474 2HD2 ASN 61 2HD2 ASN 61 -6.106 2.113 -7.840 475 H PHE 62 H PHE 62 -6.706 -0.209 -13.478 476 HA PHE 62 HA PHE 62 -8.628 1.049 -14.912 477 1HB PHE 62 1HB PHE 62 -6.954 0.457 -16.397 478 2HB PHE 62 2HB PHE 62 -6.365 -0.757 -15.278 479 HD1 PHE 62 HD1 PHE 62 -7.471 -3.056 -15.315 480 HD2 PHE 62 HD2 PHE 62 -8.044 -0.176 -18.378 481 HE1 PHE 62 HE1 PHE 62 -8.233 -4.867 -16.876 482 HE2 PHE 62 HE2 PHE 62 -8.806 -1.987 -19.939 483 HZ PHE 62 HZ PHE 62 -8.891 -4.312 -19.170 484 H GLU 63 H GLU 63 -8.855 -2.072 -13.355 485 HA GLU 63 HA GLU 63 -10.833 -3.094 -15.099 486 1HB GLU 63 1HB GLU 63 -9.455 -3.938 -12.613 487 2HB GLU 63 2HB GLU 63 -11.106 -4.510 -12.731 488 1HG GLU 63 1HG GLU 63 -9.805 -4.822 -15.313 489 2HG GLU 63 2HG GLU 63 -8.795 -5.537 -14.073 490 H ASP 64 H ASP 64 -10.811 -1.522 -11.837 491 HA ASP 64 HA ASP 64 -13.511 -1.758 -11.371 492 1HB ASP 64 1HB ASP 64 -11.314 -0.664 -10.068 493 2HB ASP 64 2HB ASP 64 -12.246 0.771 -10.448 494 H VAL 65 H VAL 65 -11.537 0.615 -13.208 495 HA VAL 65 HA VAL 65 -13.782 2.373 -13.627 496 HB VAL 65 HB VAL 65 -11.969 3.683 -13.577 497 1HG1 VAL 65 1HG1 VAL 65 -10.385 1.272 -14.492 498 2HG1 VAL 65 2HG1 VAL 65 -9.661 2.890 -14.341 499 3HG1 VAL 65 3HG1 VAL 65 -10.353 2.089 -12.911 500 1HG2 VAL 65 2HG2 VAL 65 -12.812 3.921 -15.884 501 2HG2 VAL 65 3HG2 VAL 65 -11.064 4.234 -15.780 502 3HG2 VAL 65 1HG2 VAL 65 -11.654 2.685 -16.429 503 H GLY 66 H GLY 66 -13.138 -0.653 -14.703 504 1HA GLY 66 2HA GLY 66 -14.931 -0.962 -16.605 505 2HA GLY 66 1HA GLY 66 -13.375 -1.761 -16.692 506 H HIS 67 H HIS 67 -11.563 -0.621 -17.846 507 HA HIS 67 HA HIS 67 -12.131 1.650 -19.407 508 1HB HIS 67 1HB HIS 67 -9.902 -0.363 -19.279 509 2HB HIS 67 2HB HIS 67 -9.965 0.779 -20.609 510 HD1 HIS 67 HD1 HIS 67 -9.488 0.611 -16.861 511 HD2 HIS 67 HD2 HIS 67 -9.309 3.434 -19.958 512 HE1 HIS 67 HE1 HIS 67 -8.406 2.696 -15.865 513 HE2 HIS 67 HE2 HIS 67 -8.271 4.376 -17.830 514 H SER 68 H SER 68 -11.534 1.386 -21.965 515 HA SER 68 HA SER 68 -13.489 -0.564 -22.879 516 1HB SER 68 1HB SER 68 -14.015 0.891 -24.658 517 2HB SER 68 2HB SER 68 -13.744 1.986 -23.317 518 HG SER 68 HG SER 68 -11.963 2.779 -24.256 519 H THR 69 H THR 69 -13.019 -1.737 -24.930 520 HA THR 69 HA THR 69 -10.497 -2.891 -24.953 521 HB THR 69 HB THR 69 -12.850 -2.738 -26.873 522 HG1 THR 69 HG1 THR 69 -13.218 -4.600 -25.717 523 1HG2 THR 69 2HG2 THR 69 -10.094 -3.618 -27.490 524 2HG2 THR 69 3HG2 THR 69 -11.279 -4.937 -27.630 525 3HG2 THR 69 1HG2 THR 69 -11.489 -3.448 -28.580 526 H ASP 70 H ASP 70 -11.594 0.150 -26.306 527 HA ASP 70 HA ASP 70 -9.606 0.307 -28.278 528 1HB ASP 70 1HB ASP 70 -11.704 1.677 -28.247 529 2HB ASP 70 2HB ASP 70 -11.134 2.514 -26.817 530 H ALA 71 H ALA 71 -10.050 1.777 -24.970 531 HA ALA 71 HA ALA 71 -7.700 3.178 -24.813 532 1HB ALA 71 1HB ALA 71 -8.152 2.174 -22.241 533 2HB ALA 71 3HB ALA 71 -9.756 2.128 -23.012 534 3HB ALA 71 2HB ALA 71 -8.849 3.659 -22.932 535 H ARG 72 H ARG 72 -8.342 -0.281 -23.936 536 HA ARG 72 HA ARG 72 -5.803 -0.802 -23.033 537 1HB ARG 72 1HB ARG 72 -7.637 -2.769 -24.491 538 2HB ARG 72 2HB ARG 72 -6.392 -3.178 -23.328 539 1HG ARG 72 1HG ARG 72 -7.633 -1.909 -21.558 540 2HG ARG 72 2HG ARG 72 -8.882 -1.515 -22.722 541 1HD ARG 72 1HD ARG 72 -8.389 -4.391 -22.753 542 2HD ARG 72 2HD ARG 72 -8.699 -3.863 -21.111 543 HE ARG 72 HE ARG 72 -10.588 -2.710 -23.012 544 1HH1 ARG 72 2HH1 ARG 72 -12.764 -3.405 -22.931 545 2HH1 ARG 72 1HH1 ARG 72 -13.179 -4.855 -22.078 546 1HH2 ARG 72 2HH2 ARG 72 -9.876 -5.564 -21.081 547 2HH2 ARG 72 1HH2 ARG 72 -11.525 -6.091 -21.019 548 H GLU 73 H GLU 73 -7.251 -0.961 -26.334 549 HA GLU 73 HA GLU 73 -5.103 -2.209 -27.557 550 1HB GLU 73 1HB GLU 73 -7.530 -0.728 -28.385 551 2HB GLU 73 2HB GLU 73 -6.219 -0.612 -29.541 552 1HG GLU 73 1HG GLU 73 -6.027 -3.061 -29.660 553 2HG GLU 73 2HG GLU 73 -7.196 -3.256 -28.369 554 H LEU 74 H LEU 74 -5.962 1.312 -27.289 555 HA LEU 74 HA LEU 74 -3.853 2.341 -28.694 556 1HB LEU 74 1HB LEU 74 -4.693 4.282 -28.042 557 2HB LEU 74 2HB LEU 74 -5.957 3.326 -27.293 558 HG LEU 74 HG LEU 74 -4.115 3.357 -25.286 559 1HD1 LEU 74 1HD1 LEU 74 -3.305 5.438 -27.110 560 2HD1 LEU 74 2HD1 LEU 74 -3.816 6.139 -25.555 561 3HD1 LEU 74 3HD1 LEU 74 -2.545 4.892 -25.596 562 1HD2 LEU 74 1HD2 LEU 74 -6.652 4.563 -25.872 563 2HD2 LEU 74 2HD2 LEU 74 -5.970 4.069 -24.303 564 3HD2 LEU 74 3HD2 LEU 74 -5.658 5.703 -24.935 565 H SER 75 H SER 75 -3.973 1.127 -25.319 566 HA SER 75 HA SER 75 -1.461 2.076 -24.608 567 1HB SER 75 1HB SER 75 -2.189 -0.460 -23.318 568 2HB SER 75 2HB SER 75 -1.969 1.126 -22.607 569 HG SER 75 HG SER 75 -4.192 0.222 -22.475 570 H LYS 76 H LYS 76 -2.609 -1.002 -26.098 571 HA LYS 76 HA LYS 76 -0.162 -2.349 -25.968 572 1HB LYS 76 1HB LYS 76 -1.240 -4.009 -27.091 573 2HB LYS 76 2HB LYS 76 -2.640 -3.105 -26.549 574 1HG LYS 76 1HG LYS 76 -3.246 -3.038 -28.744 575 2HG LYS 76 2HG LYS 76 -2.024 -1.795 -28.917 576 1HD LYS 76 1HD LYS 76 -0.326 -3.515 -29.510 577 2HD LYS 76 2HD LYS 76 -1.509 -4.786 -29.277 578 1HE LYS 76 1HE LYS 76 -2.084 -2.528 -31.223 579 2HE LYS 76 2HE LYS 76 -1.055 -3.859 -31.711 580 1HZ LYS 76 1HZ LYS 76 -3.674 -4.348 -30.505 581 2HZ LYS 76 2HZ LYS 76 -3.519 -4.073 -32.108 582 3HZ LYS 76 3HZ LYS 76 -2.777 -5.357 -31.425 583 H THR 77 H THR 77 -0.971 0.513 -27.581 584 HA THR 77 HA THR 77 0.778 -0.003 -29.854 585 HB THR 77 HB THR 77 -1.570 1.330 -29.677 586 HG1 THR 77 HG1 THR 77 -0.818 2.127 -31.687 587 1HG2 THR 77 2HG2 THR 77 0.037 3.057 -28.189 588 2HG2 THR 77 3HG2 THR 77 0.195 3.716 -29.835 589 3HG2 THR 77 1HG2 THR 77 -1.415 3.552 -29.093 590 H PHE 78 H PHE 78 0.766 1.576 -26.686 591 HA PHE 78 HA PHE 78 3.419 2.652 -27.319 592 1HB PHE 78 1HB PHE 78 1.014 3.521 -25.832 593 2HB PHE 78 2HB PHE 78 2.418 3.555 -24.783 594 HD1 PHE 78 HD1 PHE 78 0.924 4.955 -27.833 595 HD2 PHE 78 HD2 PHE 78 4.178 5.161 -25.117 596 HE1 PHE 78 HE1 PHE 78 1.600 7.166 -28.811 597 HE2 PHE 78 HE2 PHE 78 4.854 7.372 -26.094 598 HZ PHE 78 HZ PHE 78 3.558 8.348 -27.929 599 H ILE 79 H ILE 79 2.397 -0.187 -26.394 600 HA ILE 79 HA ILE 79 3.301 -0.541 -23.768 601 HB ILE 79 HB ILE 79 2.509 -2.219 -26.058 602 1HG1 ILE 79 1HG1 ILE 79 1.901 -2.069 -23.105 603 2HG1 ILE 79 2HG1 ILE 79 0.846 -1.710 -24.456 604 1HG2 ILE 79 2HG2 ILE 79 4.310 -3.308 -23.878 605 2HG2 ILE 79 3HG2 ILE 79 3.346 -4.296 -25.001 606 3HG2 ILE 79 1HG2 ILE 79 4.647 -3.254 -25.625 607 1HD1 ILE 79 1HD1 ILE 79 1.044 -4.159 -25.156 608 2HD1 ILE 79 2HD1 ILE 79 1.887 -4.448 -23.614 609 3HD1 ILE 79 3HD1 ILE 79 0.200 -3.881 -23.614 610 H ILE 80 H ILE 80 5.298 -1.056 -22.887 611 HA ILE 80 HA ILE 80 7.536 -0.766 -24.761 612 HB ILE 80 HB ILE 80 8.425 -0.553 -22.100 613 1HG1 ILE 80 1HG1 ILE 80 6.925 1.567 -21.587 614 2HG1 ILE 80 2HG1 ILE 80 5.732 0.693 -22.527 615 1HG2 ILE 80 1HG2 ILE 80 8.218 1.128 -24.529 616 2HG2 ILE 80 2HG2 ILE 80 8.438 1.996 -22.990 617 3HG2 ILE 80 3HG2 ILE 80 9.617 0.761 -23.491 618 1HD1 ILE 80 1HD1 ILE 80 6.147 -1.335 -21.046 619 2HD1 ILE 80 2HD1 ILE 80 7.171 -0.296 -20.027 620 3HD1 ILE 80 3HD1 ILE 80 5.438 0.064 -20.204 621 H GLY 81 H GLY 81 6.023 -2.808 -22.257 622 1HA GLY 81 2HA GLY 81 8.080 -4.589 -21.745 623 2HA GLY 81 1HA GLY 81 7.330 -5.133 -23.234 624 H GLU 82 H GLU 82 7.336 -6.406 -20.524 625 HA GLU 82 HA GLU 82 4.620 -6.067 -19.653 626 1HB GLU 82 1HB GLU 82 5.357 -8.910 -20.258 627 2HB GLU 82 2HB GLU 82 3.782 -8.143 -20.264 628 1HG GLU 82 1HG GLU 82 4.340 -6.959 -22.379 629 2HG GLU 82 2HG GLU 82 5.949 -7.651 -22.361 630 H LEU 83 H LEU 83 4.187 -7.571 -17.680 631 HA LEU 83 HA LEU 83 6.344 -7.230 -15.888 632 1HB LEU 83 1HB LEU 83 3.971 -7.038 -15.286 633 2HB LEU 83 2HB LEU 83 3.751 -8.750 -15.588 634 HG LEU 83 HG LEU 83 4.529 -9.330 -13.575 635 1HD1 LEU 83 1HD1 LEU 83 6.769 -7.477 -14.247 636 2HD1 LEU 83 2HD1 LEU 83 6.550 -7.951 -12.545 637 3HD1 LEU 83 3HD1 LEU 83 6.794 -9.198 -13.791 638 1HD2 LEU 83 3HD2 LEU 83 3.853 -6.445 -13.335 639 2HD2 LEU 83 1HD2 LEU 83 3.133 -7.870 -12.548 640 3HD2 LEU 83 2HD2 LEU 83 4.673 -7.207 -11.952 641 H HIS 84 H HIS 84 7.964 -8.592 -15.278 642 HA HIS 84 HA HIS 84 8.254 -10.992 -16.801 643 1HB HIS 84 1HB HIS 84 9.961 -9.154 -15.553 644 2HB HIS 84 2HB HIS 84 10.168 -10.633 -14.638 645 HD1 HIS 84 HD1 HIS 84 9.320 -11.209 -18.200 646 HD2 HIS 84 HD2 HIS 84 12.792 -10.710 -15.898 647 HE1 HIS 84 HE1 HIS 84 11.259 -12.020 -19.645 648 HE2 HIS 84 HE2 HIS 84 13.369 -11.638 -18.199 649 HA PRO 85 HA PRO 85 7.187 -13.885 -13.735 650 1HB PRO 85 1HB PRO 85 9.313 -15.553 -13.328 651 2HB PRO 85 2HB PRO 85 8.260 -15.665 -14.726 652 1HG PRO 85 1HG PRO 85 11.008 -14.588 -14.559 653 2HG PRO 85 2HG PRO 85 10.113 -15.099 -15.976 654 1HD PRO 85 1HD PRO 85 10.600 -12.400 -15.132 655 2HD PRO 85 2HD PRO 85 9.610 -12.913 -16.485 656 H ASP 86 H ASP 86 9.001 -11.439 -12.885 657 HA ASP 86 HA ASP 86 9.890 -12.347 -10.366 658 1HB ASP 86 1HB ASP 86 11.125 -10.491 -10.915 659 2HB ASP 86 2HB ASP 86 9.857 -9.827 -11.927 660 H ASP 87 H ASP 87 6.911 -11.079 -11.763 661 HA ASP 87 HA ASP 87 5.489 -11.582 -9.415 662 1HB ASP 87 1HB ASP 87 6.141 -8.699 -10.106 663 2HB ASP 87 2HB ASP 87 4.623 -9.083 -9.321 664 H ARG 88 H ARG 88 4.625 -12.806 -11.405 665 HA ARG 88 HA ARG 88 3.275 -11.156 -13.316 666 1HB ARG 88 1HB ARG 88 3.271 -14.204 -13.037 667 2HB ARG 88 2HB ARG 88 2.746 -13.299 -14.443 668 1HG ARG 88 1HG ARG 88 5.553 -12.867 -13.399 669 2HG ARG 88 2HG ARG 88 5.209 -14.319 -14.319 670 1HD ARG 88 1HD ARG 88 4.828 -11.435 -15.244 671 2HD ARG 88 2HD ARG 88 5.981 -12.597 -15.870 672 HE ARG 88 HE ARG 88 3.172 -12.400 -16.583 673 1HH1 ARG 88 2HH1 ARG 88 2.310 -13.893 -18.085 674 2HH1 ARG 88 1HH1 ARG 88 3.163 -15.359 -18.434 675 1HH2 ARG 88 2HH2 ARG 88 5.835 -14.675 -16.243 676 2HH2 ARG 88 1HH2 ARG 88 5.181 -15.806 -17.380 677 H SER 89 H SER 89 2.203 -14.123 -11.494 678 HA SER 89 HA SER 89 -0.476 -13.407 -11.629 679 1HB SER 89 1HB SER 89 0.396 -15.729 -11.279 680 2HB SER 89 2HB SER 89 0.914 -15.285 -9.664 681 HG SER 89 HG SER 89 -1.294 -16.373 -10.001 682 H LYS 90 H LYS 90 2.047 -12.023 -9.847 683 HA LYS 90 HA LYS 90 0.645 -11.547 -7.407 684 1HB LYS 90 1HB LYS 90 3.273 -10.829 -8.600 685 2HB LYS 90 2HB LYS 90 2.639 -9.725 -7.396 686 1HG LYS 90 1HG LYS 90 2.654 -12.720 -6.883 687 2HG LYS 90 2HG LYS 90 4.097 -11.763 -6.604 688 1HD LYS 90 1HD LYS 90 3.268 -10.924 -4.661 689 2HD LYS 90 2HD LYS 90 1.776 -10.429 -5.434 690 1HE LYS 90 1HE LYS 90 0.642 -12.334 -4.791 691 2HE LYS 90 2HE LYS 90 2.035 -13.373 -5.025 692 1HZ LYS 90 2HZ LYS 90 2.955 -12.314 -2.986 693 2HZ LYS 90 3HZ LYS 90 1.497 -11.624 -2.735 694 3HZ LYS 90 1HZ LYS 90 1.641 -13.251 -2.740 695 H ILE 91 H ILE 91 0.619 -10.208 -10.622 696 HA ILE 91 HA ILE 91 -0.990 -7.980 -9.590 697 HB ILE 91 HB ILE 91 0.018 -6.445 -10.940 698 1HG1 ILE 91 1HG1 ILE 91 1.301 -8.570 -12.669 699 2HG1 ILE 91 2HG1 ILE 91 -0.281 -7.901 -13.006 700 1HG2 ILE 91 3HG2 ILE 91 1.593 -7.217 -9.214 701 2HG2 ILE 91 1HG2 ILE 91 2.291 -8.369 -10.378 702 3HG2 ILE 91 2HG2 ILE 91 2.426 -6.618 -10.669 703 1HD1 ILE 91 2HD1 ILE 91 1.852 -5.886 -12.460 704 2HD1 ILE 91 3HD1 ILE 91 2.042 -6.827 -13.958 705 3HD1 ILE 91 1HD1 ILE 91 0.564 -5.874 -13.687 706 H THR 92 H THR 92 -0.298 -10.366 -12.179 707 HA THR 92 HA THR 92 -2.041 -9.920 -14.097 708 HB THR 92 HB THR 92 -0.639 -12.086 -13.247 709 HG1 THR 92 HG1 THR 92 -1.268 -12.465 -15.333 710 1HG2 THR 92 1HG2 THR 92 -2.459 -12.755 -11.603 711 2HG2 THR 92 2HG2 THR 92 -3.588 -12.870 -12.974 712 3HG2 THR 92 3HG2 THR 92 -2.187 -13.966 -12.879 713 H LYS 93 H LYS 93 -3.039 -11.033 -10.814 714 HA LYS 93 HA LYS 93 -5.563 -9.733 -11.203 715 1HB LYS 93 1HB LYS 93 -5.320 -12.549 -11.796 716 2HB LYS 93 2HB LYS 93 -6.352 -12.328 -10.397 717 1HG LYS 93 1HG LYS 93 -7.355 -10.337 -11.941 718 2HG LYS 93 2HG LYS 93 -6.744 -11.366 -13.220 719 1HD LYS 93 1HD LYS 93 -8.977 -12.120 -12.878 720 2HD LYS 93 2HD LYS 93 -7.990 -13.315 -12.061 721 1HE LYS 93 1HE LYS 93 -8.320 -11.849 -9.918 722 2HE LYS 93 2HE LYS 93 -9.605 -11.059 -10.812 723 1HZ LYS 93 2HZ LYS 93 -9.779 -13.872 -11.009 724 2HZ LYS 93 3HZ LYS 93 -9.805 -13.388 -9.448 725 3HZ LYS 93 1HZ LYS 93 -10.903 -12.799 -10.503 726 HA PRO 94 HA PRO 94 -5.010 -9.405 -6.934 727 1HB PRO 94 1HB PRO 94 -7.512 -8.653 -6.131 728 2HB PRO 94 2HB PRO 94 -6.355 -7.538 -6.832 729 1HG PRO 94 1HG PRO 94 -8.757 -8.736 -8.070 730 2HG PRO 94 2HG PRO 94 -7.846 -7.329 -8.580 731 1HD PRO 94 1HD PRO 94 -7.763 -9.944 -9.752 732 2HD PRO 94 2HD PRO 94 -6.767 -8.568 -10.186 733 H SER 95 H SER 95 -6.727 -9.850 -4.798 734 HA SER 95 HA SER 95 -7.219 -12.701 -5.143 735 1HB SER 95 1HB SER 95 -5.069 -12.126 -3.844 736 2HB SER 95 2HB SER 95 -6.105 -11.471 -2.591 737 HG SER 95 HG SER 95 -5.706 -13.611 -2.018 738 H GLU 96 H GLU 96 -7.718 -9.821 -2.976 739 HA GLU 96 HA GLU 96 -10.460 -9.921 -3.158 740 1HB GLU 96 1HB GLU 96 -11.133 -10.835 -0.980 741 2HB GLU 96 2HB GLU 96 -10.278 -12.055 -1.903 742 1HG GLU 96 1HG GLU 96 -8.939 -12.314 -0.084 743 2HG GLU 96 2HG GLU 96 -8.206 -10.784 -0.525 744 H SER 97 H SER 97 -11.505 -8.464 -1.372 745 HA SER 97 HA SER 97 -9.546 -6.784 -0.092 746 1HB SER 97 1HB SER 97 -11.264 -5.953 -2.402 747 2HB SER 97 2HB SER 97 -11.140 -4.810 -1.079 748 HG SER 97 HG SER 97 -9.102 -5.780 -2.835 749 H ILE 98 H ILE 98 -10.760 -5.072 1.338 750 HA ILE 98 HA ILE 98 -13.457 -5.871 2.016 751 HB ILE 98 HB ILE 98 -11.884 -7.384 3.266 752 1HG1 ILE 98 1HG1 ILE 98 -13.516 -5.650 5.121 753 2HG1 ILE 98 2HG1 ILE 98 -14.276 -6.671 3.918 754 1HG2 ILE 98 2HG2 ILE 98 -10.499 -5.027 3.785 755 2HG2 ILE 98 3HG2 ILE 98 -11.279 -5.432 5.333 756 3HG2 ILE 98 1HG2 ILE 98 -10.224 -6.621 4.532 757 1HD1 ILE 98 3HD1 ILE 98 -12.196 -7.797 5.826 758 2HD1 ILE 98 1HD1 ILE 98 -13.911 -7.673 6.287 759 3HD1 ILE 98 2HD1 ILE 98 -13.433 -8.673 4.894 760 H ILE 99 H ILE 99 -14.433 -4.306 3.607 761 HA ILE 99 HA ILE 99 -13.693 -1.674 2.835 762 HB ILE 99 HB ILE 99 -16.000 -2.321 3.125 763 1HG1 ILE 99 1HG1 ILE 99 -15.184 0.045 3.571 764 2HG1 ILE 99 2HG1 ILE 99 -16.765 -0.375 4.198 765 1HG2 ILE 99 2HG2 ILE 99 -15.039 -3.482 5.575 766 2HG2 ILE 99 3HG2 ILE 99 -16.375 -2.357 5.918 767 3HG2 ILE 99 1HG2 ILE 99 -16.608 -3.689 4.760 768 1HD1 ILE 99 2HD1 ILE 99 -14.836 -1.084 6.209 769 2HD1 ILE 99 3HD1 ILE 99 -14.465 0.565 5.650 770 3HD1 ILE 99 1HD1 ILE 99 -16.085 0.182 6.281 771 H THR 100 H THR 100 -12.439 -0.179 3.869 772 HA THR 100 HA THR 100 -11.543 -0.875 6.584 773 HB THR 100 HB THR 100 -9.865 0.192 4.251 774 HG1 THR 100 HG1 THR 100 -10.517 -2.117 4.221 775 1HG2 THR 100 1HG2 THR 100 -9.393 0.462 7.013 776 2HG2 THR 100 2HG2 THR 100 -8.523 -1.031 6.581 777 3HG2 THR 100 3HG2 THR 100 -8.148 0.494 5.741 778 H THR 101 H THR 101 -11.041 0.889 7.975 779 HA THR 101 HA THR 101 -12.822 2.926 8.002 780 HB THR 101 HB THR 101 -11.203 2.178 9.821 781 HG1 THR 101 HG1 THR 101 -12.442 4.308 9.644 782 1HG2 THR 101 1HG2 THR 101 -9.161 2.582 8.110 783 2HG2 THR 101 2HG2 THR 101 -9.282 4.245 8.737 784 3HG2 THR 101 3HG2 THR 101 -8.968 2.893 9.852 785 H ILE 102 H ILE 102 -12.440 5.340 7.797 786 HA ILE 102 HA ILE 102 -12.325 6.994 6.315 787 HB ILE 102 HB ILE 102 -10.015 6.747 7.422 788 1HG1 ILE 102 1HG1 ILE 102 -9.442 8.366 5.103 789 2HG1 ILE 102 2HG1 ILE 102 -11.118 8.578 5.568 790 1HG2 ILE 102 3HG2 ILE 102 -9.436 5.731 4.638 791 2HG2 ILE 102 1HG2 ILE 102 -8.192 6.488 5.661 792 3HG2 ILE 102 2HG2 ILE 102 -9.008 5.003 6.205 793 1HD1 ILE 102 3HD1 ILE 102 -9.122 8.547 7.805 794 2HD1 ILE 102 1HD1 ILE 102 -9.098 9.963 6.724 795 3HD1 ILE 102 2HD1 ILE 102 -10.587 9.537 7.602 796 H ASP 103 H ASP 103 -11.028 7.484 3.917 797 HA ASP 103 HA ASP 103 -11.876 5.228 2.282 798 1HB ASP 103 1HB ASP 103 -12.193 8.110 1.385 799 2HB ASP 103 2HB ASP 103 -12.976 6.682 0.735 800 H SER 104 H SER 104 -10.958 5.645 -0.122 801 HA SER 104 HA SER 104 -9.267 5.926 -1.454 802 1HB SER 104 1HB SER 104 -8.287 8.095 0.456 803 2HB SER 104 2HB SER 104 -7.742 7.863 -1.193 804 HG SER 104 HG SER 104 -9.824 9.330 -0.360 No H/Q in entry = 804 Start of MODEL 39 1 H ALA 1 H ALA 1 35.757 -2.248 -28.523 2 HA ALA 1 HA ALA 1 34.837 -1.906 -30.983 3 1HB ALA 1 2HB ALA 1 36.606 -3.202 -31.550 4 2HB ALA 1 1HB ALA 1 35.986 -4.604 -30.644 5 3HB ALA 1 3HB ALA 1 36.892 -3.327 -29.798 6 H GLU 2 H GLU 2 32.398 -2.153 -29.926 7 HA GLU 2 HA GLU 2 31.208 -4.054 -31.541 8 1HB GLU 2 1HB GLU 2 32.114 -5.161 -29.074 9 2HB GLU 2 2HB GLU 2 30.375 -5.003 -28.922 10 1HG GLU 2 1HG GLU 2 30.342 -6.053 -31.364 11 2HG GLU 2 2HG GLU 2 31.959 -6.594 -30.957 12 H GLU 3 H GLU 3 28.710 -4.379 -30.566 13 HA GLU 3 HA GLU 3 27.846 -2.145 -29.067 14 1HB GLU 3 1HB GLU 3 28.006 -1.866 -31.958 15 2HB GLU 3 2HB GLU 3 26.329 -1.799 -31.455 16 1HG GLU 3 1HG GLU 3 26.783 0.013 -29.887 17 2HG GLU 3 2HG GLU 3 28.515 -0.161 -30.099 18 H SER 4 H SER 4 25.404 -2.184 -28.794 19 HA SER 4 HA SER 4 23.935 -4.299 -29.851 20 1HB SER 4 1HB SER 4 23.810 -5.867 -28.082 21 2HB SER 4 2HB SER 4 25.523 -5.508 -28.203 22 HG SER 4 HG SER 4 25.111 -3.848 -26.468 23 H SER 5 H SER 5 21.774 -4.555 -28.422 24 HA SER 5 HA SER 5 21.119 -2.637 -26.581 25 1HB SER 5 1HB SER 5 21.432 -1.358 -28.989 26 2HB SER 5 2HB SER 5 19.730 -1.768 -29.073 27 HG SER 5 HG SER 5 19.761 -0.834 -26.720 28 H LYS 6 H LYS 6 18.513 -2.369 -26.566 29 HA LYS 6 HA LYS 6 16.933 -4.169 -27.943 30 1HB LYS 6 1HB LYS 6 18.577 -5.614 -26.291 31 2HB LYS 6 2HB LYS 6 17.176 -5.387 -25.265 32 1HG LYS 6 1HG LYS 6 15.891 -6.039 -27.568 33 2HG LYS 6 2HG LYS 6 17.405 -6.867 -27.871 34 1HD LYS 6 1HD LYS 6 16.861 -7.542 -25.210 35 2HD LYS 6 2HD LYS 6 15.264 -7.514 -25.933 36 1HE LYS 6 1HE LYS 6 15.692 -9.583 -26.766 37 2HE LYS 6 2HE LYS 6 16.850 -8.843 -27.852 38 1HZ LYS 6 1HZ LYS 6 18.266 -8.999 -25.625 39 2HZ LYS 6 2HZ LYS 6 17.316 -10.314 -25.437 40 3HZ LYS 6 3HZ LYS 6 18.254 -10.167 -26.766 41 H ALA 7 H ALA 7 14.816 -4.638 -26.419 42 HA ALA 7 HA ALA 7 14.304 -2.043 -25.134 43 1HB ALA 7 2HB ALA 7 12.126 -3.826 -26.203 44 2HB ALA 7 3HB ALA 7 12.179 -2.051 -26.070 45 3HB ALA 7 1HB ALA 7 13.103 -2.875 -27.349 46 H VAL 8 H VAL 8 12.445 -2.235 -23.443 47 HA VAL 8 HA VAL 8 13.296 -3.744 -21.344 48 HB VAL 8 HB VAL 8 11.863 -2.071 -20.767 49 1HG1 VAL 8 3HG1 VAL 8 10.591 -2.686 -23.334 50 2HG1 VAL 8 1HG1 VAL 8 9.419 -2.262 -22.063 51 3HG1 VAL 8 2HG1 VAL 8 10.737 -1.138 -22.467 52 1HG2 VAL 8 3HG2 VAL 8 11.147 -4.432 -19.870 53 2HG2 VAL 8 1HG2 VAL 8 10.120 -3.010 -19.565 54 3HG2 VAL 8 2HG2 VAL 8 9.696 -4.153 -20.863 55 H LYS 9 H LYS 9 10.126 -4.516 -22.903 56 HA LYS 9 HA LYS 9 9.291 -6.449 -23.619 57 1HB LYS 9 1HB LYS 9 12.048 -6.895 -23.958 58 2HB LYS 9 2HB LYS 9 11.457 -8.311 -23.114 59 1HG LYS 9 1HG LYS 9 9.701 -8.655 -24.811 60 2HG LYS 9 2HG LYS 9 10.135 -7.157 -25.613 61 1HD LYS 9 1HD LYS 9 12.496 -8.159 -25.922 62 2HD LYS 9 2HD LYS 9 11.821 -9.686 -25.392 63 1HE LYS 9 1HE LYS 9 9.976 -8.857 -27.319 64 2HE LYS 9 2HE LYS 9 11.493 -8.282 -27.981 65 1HZ LYS 9 3HZ LYS 9 12.002 -10.797 -27.046 66 2HZ LYS 9 1HZ LYS 9 10.553 -10.918 -27.790 67 3HZ LYS 9 2HZ LYS 9 11.845 -10.348 -28.608 68 H TYR 10 H TYR 10 11.515 -6.917 -20.789 69 HA TYR 10 HA TYR 10 9.180 -7.883 -19.306 70 1HB TYR 10 1HB TYR 10 11.464 -9.289 -18.377 71 2HB TYR 10 2HB TYR 10 10.208 -9.970 -19.393 72 HD1 TYR 10 HD1 TYR 10 10.635 -10.547 -21.668 73 HD2 TYR 10 HD2 TYR 10 13.527 -8.298 -19.458 74 HE1 TYR 10 HE1 TYR 10 12.338 -10.904 -23.520 75 HE2 TYR 10 HE2 TYR 10 15.222 -8.665 -21.318 76 HH TYR 10 HH TYR 10 14.959 -10.964 -23.567 77 H TYR 11 H TYR 11 8.900 -6.505 -17.626 78 HA TYR 11 HA TYR 11 11.344 -5.452 -16.365 79 1HB TYR 11 1HB TYR 11 8.747 -4.331 -17.354 80 2HB TYR 11 2HB TYR 11 9.120 -3.824 -15.719 81 HD1 TYR 11 HD1 TYR 11 11.926 -4.499 -17.954 82 HD2 TYR 11 HD2 TYR 11 9.237 -1.482 -16.548 83 HE1 TYR 11 HE1 TYR 11 13.466 -2.692 -18.865 84 HE2 TYR 11 HE2 TYR 11 10.786 0.315 -17.464 85 HH TYR 11 HH TYR 11 13.689 0.087 -17.997 86 H THR 12 H THR 12 10.998 -4.830 -14.005 87 HA THR 12 HA THR 12 9.319 -6.895 -12.749 88 HB THR 12 HB THR 12 10.979 -6.836 -10.944 89 HG1 THR 12 HG1 THR 12 12.763 -5.199 -11.322 90 1HG2 THR 12 3HG2 THR 12 11.658 -7.911 -13.274 91 2HG2 THR 12 1HG2 THR 12 12.716 -6.486 -13.413 92 3HG2 THR 12 2HG2 THR 12 12.925 -7.620 -12.057 93 H LEU 13 H LEU 13 8.124 -6.380 -10.832 94 HA LEU 13 HA LEU 13 6.574 -4.162 -11.028 95 1HB LEU 13 1HB LEU 13 7.145 -6.204 -9.017 96 2HB LEU 13 2HB LEU 13 6.622 -4.685 -8.315 97 HG LEU 13 HG LEU 13 5.118 -6.301 -10.392 98 1HD1 LEU 13 3HD1 LEU 13 5.299 -7.055 -7.889 99 2HD1 LEU 13 1HD1 LEU 13 4.122 -5.746 -7.620 100 3HD1 LEU 13 2HD1 LEU 13 3.730 -7.081 -8.732 101 1HD2 LEU 13 3HD2 LEU 13 4.986 -3.555 -9.988 102 2HD2 LEU 13 1HD2 LEU 13 3.765 -4.579 -10.783 103 3HD2 LEU 13 2HD2 LEU 13 3.618 -4.200 -9.050 104 H GLU 14 H GLU 14 9.747 -4.521 -9.396 105 HA GLU 14 HA GLU 14 9.644 -2.044 -8.117 106 1HB GLU 14 1HB GLU 14 11.439 -4.246 -8.305 107 2HB GLU 14 2HB GLU 14 12.361 -2.838 -8.795 108 1HG GLU 14 1HG GLU 14 12.650 -2.765 -6.475 109 2HG GLU 14 2HG GLU 14 11.274 -1.698 -6.668 110 H GLU 15 H GLU 15 11.185 -3.128 -11.222 111 HA GLU 15 HA GLU 15 12.343 -0.785 -11.923 112 1HB GLU 15 1HB GLU 15 11.101 -3.027 -13.533 113 2HB GLU 15 2HB GLU 15 11.762 -1.632 -14.360 114 1HG GLU 15 1HG GLU 15 13.934 -1.991 -13.060 115 2HG GLU 15 2HG GLU 15 13.255 -3.485 -12.447 116 H ILE 16 H ILE 16 8.902 -1.756 -12.170 117 HA ILE 16 HA ILE 16 8.205 0.593 -13.663 118 HB ILE 16 HB ILE 16 6.367 -1.337 -12.259 119 1HG1 ILE 16 1HG1 ILE 16 6.856 -1.821 -15.109 120 2HG1 ILE 16 2HG1 ILE 16 8.279 -2.084 -14.120 121 1HG2 ILE 16 1HG2 ILE 16 6.037 0.910 -14.113 122 2HG2 ILE 16 2HG2 ILE 16 5.205 -0.577 -14.626 123 3HG2 ILE 16 3HG2 ILE 16 4.865 0.127 -13.028 124 1HD1 ILE 16 3HD1 ILE 16 6.086 -3.216 -12.677 125 2HD1 ILE 16 1HD1 ILE 16 5.923 -3.745 -14.368 126 3HD1 ILE 16 2HD1 ILE 16 7.426 -4.076 -13.474 127 H GLN 17 H GLN 17 8.080 -0.557 -10.259 128 HA GLN 17 HA GLN 17 6.557 1.530 -9.290 129 1HB GLN 17 1HB GLN 17 7.553 -0.745 -8.222 130 2HB GLN 17 2HB GLN 17 8.730 0.376 -7.566 131 1HG GLN 17 1HG GLN 17 5.924 1.329 -7.339 132 2HG GLN 17 2HG GLN 17 6.236 -0.156 -6.460 133 1HE2 GLN 17 1HE2 GLN 17 5.600 2.313 -5.292 134 2HE2 GLN 17 2HE2 GLN 17 6.932 2.858 -4.328 135 H LYS 18 H LYS 18 10.052 1.244 -9.996 136 HA LYS 18 HA LYS 18 10.787 3.616 -8.644 137 1HB LYS 18 1HB LYS 18 12.206 2.131 -10.876 138 2HB LYS 18 2HB LYS 18 12.916 3.338 -9.823 139 1HG LYS 18 1HG LYS 18 11.551 0.948 -8.569 140 2HG LYS 18 2HG LYS 18 13.141 0.733 -9.272 141 1HD LYS 18 1HD LYS 18 12.496 2.911 -7.232 142 2HD LYS 18 2HD LYS 18 13.119 1.334 -6.787 143 1HE LYS 18 1HE LYS 18 14.665 2.690 -8.942 144 2HE LYS 18 2HE LYS 18 14.687 3.531 -7.406 145 1HZ LYS 18 3HZ LYS 18 15.092 1.028 -6.638 146 2HZ LYS 18 1HZ LYS 18 15.826 0.996 -8.097 147 3HZ LYS 18 2HZ LYS 18 16.298 2.080 -6.970 148 H HIS 19 H HIS 19 9.391 2.853 -11.804 149 HA HIS 19 HA HIS 19 9.850 5.612 -12.635 150 1HB HIS 19 1HB HIS 19 8.938 3.180 -14.198 151 2HB HIS 19 2HB HIS 19 9.097 4.790 -14.867 152 HD1 HIS 19 HD1 HIS 19 11.164 4.887 -16.252 153 HD2 HIS 19 HD2 HIS 19 11.721 2.630 -12.759 154 HE1 HIS 19 HE1 HIS 19 13.607 4.149 -16.259 155 HE2 HIS 19 HE2 HIS 19 13.904 2.813 -14.064 156 H ASN 20 H ASN 20 8.308 6.643 -11.266 157 HA ASN 20 HA ASN 20 5.584 6.090 -12.121 158 1HB ASN 20 1HB ASN 20 5.562 5.176 -9.919 159 2HB ASN 20 2HB ASN 20 6.680 6.376 -9.303 160 1HD2 ASN 20 1HD2 ASN 20 3.733 6.711 -11.260 161 2HD2 ASN 20 2HD2 ASN 20 2.848 7.717 -10.162 162 H ASN 21 H ASN 21 7.988 8.131 -12.525 163 HA ASN 21 HA ASN 21 6.550 10.520 -11.702 164 1HB ASN 21 1HB ASN 21 9.446 10.144 -12.633 165 2HB ASN 21 2HB ASN 21 8.749 11.688 -12.183 166 1HD2 ASN 21 1HD2 ASN 21 10.444 9.030 -11.139 167 2HD2 ASN 21 2HD2 ASN 21 10.281 9.194 -9.422 168 H SER 22 H SER 22 6.699 12.393 -13.386 169 HA SER 22 HA SER 22 5.669 11.509 -15.796 170 1HB SER 22 1HB SER 22 5.116 13.708 -14.934 171 2HB SER 22 2HB SER 22 6.798 14.198 -14.924 172 HG SER 22 HG SER 22 6.020 15.094 -16.792 173 H LYS 23 H LYS 23 8.847 11.375 -14.675 174 HA LYS 23 HA LYS 23 10.235 12.152 -17.022 175 1HB LYS 23 1HB LYS 23 10.857 11.329 -14.354 176 2HB LYS 23 2HB LYS 23 11.755 10.307 -15.458 177 1HG LYS 23 1HG LYS 23 12.423 12.476 -16.703 178 2HG LYS 23 2HG LYS 23 11.764 13.353 -15.335 179 1HD LYS 23 1HD LYS 23 13.336 12.257 -13.798 180 2HD LYS 23 2HD LYS 23 13.907 11.194 -15.069 181 1HE LYS 23 1HE LYS 23 14.860 13.085 -16.311 182 2HE LYS 23 2HE LYS 23 14.140 14.236 -15.202 183 1HZ LYS 23 2HZ LYS 23 15.575 12.499 -13.653 184 2HZ LYS 23 3HZ LYS 23 16.540 12.814 -14.931 185 3HZ LYS 23 1HZ LYS 23 15.968 14.042 -14.017 186 H SER 24 H SER 24 8.846 9.101 -15.751 187 HA SER 24 HA SER 24 8.813 8.068 -18.385 188 1HB SER 24 1HB SER 24 10.891 7.139 -16.431 189 2HB SER 24 2HB SER 24 10.073 5.893 -17.354 190 HG SER 24 HG SER 24 11.271 8.223 -18.583 191 H THR 25 H THR 25 6.679 8.664 -16.825 192 HA THR 25 HA THR 25 5.810 6.929 -14.904 193 HB THR 25 HB THR 25 3.792 7.775 -16.936 194 HG1 THR 25 HG1 THR 25 5.520 9.627 -15.458 195 1HG2 THR 25 2HG2 THR 25 4.200 7.792 -13.993 196 2HG2 THR 25 3HG2 THR 25 3.496 9.302 -14.621 197 3HG2 THR 25 1HG2 THR 25 2.681 7.748 -14.921 198 H TRP 26 H TRP 26 6.318 4.778 -15.046 199 HA TRP 26 HA TRP 26 5.279 3.389 -17.414 200 1HB TRP 26 1HB TRP 26 7.482 2.721 -15.469 201 2HB TRP 26 2HB TRP 26 6.779 1.521 -16.535 202 HD1 TRP 26 HD1 TRP 26 9.534 3.973 -16.493 203 HE1 TRP 26 HE1 TRP 26 10.589 4.425 -18.869 204 HE3 TRP 26 HE3 TRP 26 5.785 1.799 -19.152 205 HZ2 TRP 26 HZ2 TRP 26 9.756 3.835 -21.534 206 HZ3 TRP 26 HZ3 TRP 26 5.985 1.779 -21.637 207 HH2 TRP 26 HH2 TRP 26 7.885 2.750 -22.829 208 H LEU 27 H LEU 27 3.892 1.557 -17.090 209 HA LEU 27 HA LEU 27 3.152 0.885 -14.383 210 1HB LEU 27 1HB LEU 27 1.029 1.666 -14.342 211 2HB LEU 27 2HB LEU 27 1.813 2.954 -15.236 212 HG LEU 27 HG LEU 27 -0.180 2.591 -16.386 213 1HD1 LEU 27 2HD1 LEU 27 2.098 2.353 -17.722 214 2HD1 LEU 27 3HD1 LEU 27 1.442 0.736 -18.071 215 3HD1 LEU 27 1HD1 LEU 27 0.515 2.187 -18.521 216 1HD2 LEU 27 2HD2 LEU 27 -0.297 0.176 -15.165 217 2HD2 LEU 27 3HD2 LEU 27 -1.379 0.689 -16.482 218 3HD2 LEU 27 1HD2 LEU 27 0.043 -0.322 -16.841 219 H ILE 28 H ILE 28 1.260 -0.870 -14.572 220 HA ILE 28 HA ILE 28 1.886 -2.514 -16.923 221 HB ILE 28 HB ILE 28 1.287 -3.781 -14.292 222 1HG1 ILE 28 1HG1 ILE 28 4.148 -3.173 -14.922 223 2HG1 ILE 28 2HG1 ILE 28 3.179 -1.907 -14.192 224 1HG2 ILE 28 1HG2 ILE 28 1.450 -5.053 -16.444 225 2HG2 ILE 28 2HG2 ILE 28 3.168 -4.593 -16.520 226 3HG2 ILE 28 3HG2 ILE 28 2.573 -5.591 -15.171 227 1HD1 ILE 28 2HD1 ILE 28 2.595 -4.363 -12.800 228 2HD1 ILE 28 3HD1 ILE 28 4.362 -4.187 -12.912 229 3HD1 ILE 28 1HD1 ILE 28 3.385 -2.898 -12.171 230 H LEU 29 H LEU 29 0.131 -3.020 -18.118 231 HA LEU 29 HA LEU 29 -2.463 -2.891 -16.743 232 1HB LEU 29 1HB LEU 29 -1.515 -1.278 -18.832 233 2HB LEU 29 2HB LEU 29 -2.613 -2.414 -19.590 234 HG LEU 29 HG LEU 29 -3.164 -0.177 -17.742 235 1HD1 LEU 29 2HD1 LEU 29 -4.719 -1.575 -19.933 236 2HD1 LEU 29 3HD1 LEU 29 -5.299 -0.157 -19.026 237 3HD1 LEU 29 1HD1 LEU 29 -3.842 -0.029 -20.040 238 1HD2 LEU 29 3HD2 LEU 29 -4.380 -2.885 -17.328 239 2HD2 LEU 29 1HD2 LEU 29 -3.900 -1.650 -16.139 240 3HD2 LEU 29 2HD2 LEU 29 -5.379 -1.429 -17.105 241 H HIS 30 H HIS 30 -3.748 -4.679 -16.895 242 HA HIS 30 HA HIS 30 -4.452 -6.677 -17.473 243 1HB HIS 30 1HB HIS 30 -4.405 -5.676 -19.793 244 2HB HIS 30 2HB HIS 30 -2.840 -6.433 -20.026 245 HD1 HIS 30 HD1 HIS 30 -2.791 -8.926 -20.596 246 HD2 HIS 30 HD2 HIS 30 -6.608 -7.543 -19.542 247 HE1 HIS 30 HE1 HIS 30 -4.415 -10.815 -21.153 248 HE2 HIS 30 HE2 HIS 30 -6.736 -9.927 -20.433 249 H TYR 31 H TYR 31 -0.959 -6.159 -18.247 250 HA TYR 31 HA TYR 31 0.048 -7.775 -16.313 251 1HB TYR 31 1HB TYR 31 -0.545 -9.895 -17.067 252 2HB TYR 31 2HB TYR 31 -1.265 -9.210 -18.511 253 HD1 TYR 31 HD1 TYR 31 2.126 -10.008 -17.108 254 HD2 TYR 31 HD2 TYR 31 -0.367 -9.786 -20.578 255 HE1 TYR 31 HE1 TYR 31 3.990 -11.006 -18.519 256 HE2 TYR 31 HE2 TYR 31 1.505 -10.786 -21.977 257 HH TYR 31 HH TYR 31 3.469 -11.704 -21.959 258 H LYS 32 H LYS 32 0.162 -6.168 -19.372 259 HA LYS 32 HA LYS 32 3.040 -6.573 -19.603 260 1HB LYS 32 1HB LYS 32 1.148 -5.121 -21.476 261 2HB LYS 32 2HB LYS 32 2.816 -5.555 -21.791 262 1HG LYS 32 1HG LYS 32 2.024 -7.495 -22.670 263 2HG LYS 32 2HG LYS 32 1.684 -7.997 -21.026 264 1HD LYS 32 1HD LYS 32 -0.600 -7.385 -21.162 265 2HD LYS 32 2HD LYS 32 -0.329 -6.265 -22.483 266 1HE LYS 32 1HE LYS 32 0.103 -8.134 -24.040 267 2HE LYS 32 2HE LYS 32 -0.011 -9.294 -22.732 268 1HZ LYS 32 3HZ LYS 32 -2.244 -7.492 -23.220 269 2HZ LYS 32 1HZ LYS 32 -2.049 -8.796 -24.184 270 3HZ LYS 32 2HZ LYS 32 -2.253 -8.992 -22.576 271 H VAL 33 H VAL 33 4.290 -4.460 -20.229 272 HA VAL 33 HA VAL 33 3.490 -2.444 -18.253 273 HB VAL 33 HB VAL 33 5.582 -3.590 -17.784 274 1HG1 VAL 33 2HG1 VAL 33 5.988 -3.292 -20.631 275 2HG1 VAL 33 3HG1 VAL 33 7.362 -2.601 -19.735 276 3HG1 VAL 33 1HG1 VAL 33 6.880 -4.291 -19.457 277 1HG2 VAL 33 2HG2 VAL 33 5.748 -0.688 -18.612 278 2HG2 VAL 33 3HG2 VAL 33 5.557 -1.377 -16.983 279 3HG2 VAL 33 1HG2 VAL 33 7.113 -1.526 -17.835 280 H TYR 34 H TYR 34 2.824 -0.490 -18.982 281 HA TYR 34 HA TYR 34 3.503 0.170 -21.769 282 1HB TYR 34 1HB TYR 34 1.113 1.024 -20.024 283 2HB TYR 34 2HB TYR 34 1.267 1.284 -21.752 284 HD1 TYR 34 HD1 TYR 34 -0.069 -0.065 -23.068 285 HD2 TYR 34 HD2 TYR 34 1.466 -1.649 -19.403 286 HE1 TYR 34 HE1 TYR 34 -1.281 -2.259 -23.501 287 HE2 TYR 34 HE2 TYR 34 0.248 -3.836 -19.847 288 HH TYR 34 HH TYR 34 -2.170 -4.216 -21.662 289 H ASP 35 H ASP 35 3.873 2.429 -22.263 290 HA ASP 35 HA ASP 35 5.025 3.768 -19.990 291 1HB ASP 35 1HB ASP 35 6.464 4.669 -21.510 292 2HB ASP 35 2HB ASP 35 5.816 3.480 -22.624 293 H LEU 36 H LEU 36 3.356 4.850 -18.851 294 HA LEU 36 HA LEU 36 1.094 5.934 -20.101 295 1HB LEU 36 1HB LEU 36 2.357 6.294 -17.392 296 2HB LEU 36 2HB LEU 36 0.897 7.145 -17.857 297 HG LEU 36 HG LEU 36 1.293 4.165 -17.544 298 1HD1 LEU 36 2HD1 LEU 36 0.398 6.206 -15.807 299 2HD1 LEU 36 3HD1 LEU 36 -1.035 5.253 -16.262 300 3HD1 LEU 36 1HD1 LEU 36 0.380 4.446 -15.544 301 1HD2 LEU 36 3HD2 LEU 36 -0.691 5.626 -19.188 302 2HD2 LEU 36 1HD2 LEU 36 -0.080 3.959 -19.321 303 3HD2 LEU 36 2HD2 LEU 36 -1.336 4.353 -18.123 304 H THR 37 H THR 37 4.366 7.160 -19.460 305 HA THR 37 HA THR 37 3.986 9.864 -19.594 306 HB THR 37 HB THR 37 6.185 8.044 -20.699 307 HG1 THR 37 HG1 THR 37 5.914 9.813 -18.376 308 1HG2 THR 37 2HG2 THR 37 6.097 11.072 -20.272 309 2HG2 THR 37 3HG2 THR 37 7.617 10.148 -20.327 310 3HG2 THR 37 1HG2 THR 37 6.559 10.208 -21.757 311 H LYS 38 H LYS 38 3.372 7.491 -22.086 312 HA LYS 38 HA LYS 38 3.502 9.445 -24.199 313 1HB LYS 38 1HB LYS 38 3.090 6.511 -23.965 314 2HB LYS 38 2HB LYS 38 2.306 7.294 -25.321 315 1HG LYS 38 1HG LYS 38 4.637 8.469 -25.694 316 2HG LYS 38 2HG LYS 38 5.267 7.206 -24.656 317 1HD LYS 38 1HD LYS 38 4.944 5.550 -26.231 318 2HD LYS 38 2HD LYS 38 3.448 6.249 -26.820 319 1HE LYS 38 1HE LYS 38 4.820 8.078 -27.945 320 2HE LYS 38 2HE LYS 38 6.272 7.223 -27.463 321 1HZ LYS 38 1HZ LYS 38 4.136 5.985 -29.052 322 2HZ LYS 38 2HZ LYS 38 5.454 6.690 -29.709 323 3HZ LYS 38 3HZ LYS 38 5.622 5.374 -28.756 324 H PHE 39 H PHE 39 1.003 7.682 -22.284 325 HA PHE 39 HA PHE 39 -0.994 9.446 -23.504 326 1HB PHE 39 1HB PHE 39 -0.952 6.733 -23.336 327 2HB PHE 39 2HB PHE 39 -1.549 7.042 -21.718 328 HD1 PHE 39 HD1 PHE 39 -2.278 8.394 -25.132 329 HD2 PHE 39 HD2 PHE 39 -3.821 6.789 -21.519 330 HE1 PHE 39 HE1 PHE 39 -4.611 8.606 -26.034 331 HE2 PHE 39 HE2 PHE 39 -6.154 7.001 -22.421 332 HZ PHE 39 HZ PHE 39 -6.521 7.907 -24.667 333 H LEU 40 H LEU 40 0.801 10.484 -21.493 334 HA LEU 40 HA LEU 40 -0.432 10.311 -18.944 335 1HB LEU 40 1HB LEU 40 1.970 10.799 -19.399 336 2HB LEU 40 2HB LEU 40 1.501 12.373 -20.010 337 HG LEU 40 HG LEU 40 0.546 12.927 -17.779 338 1HD1 LEU 40 3HD1 LEU 40 0.923 10.122 -17.332 339 2HD1 LEU 40 1HD1 LEU 40 1.868 11.041 -16.136 340 3HD1 LEU 40 2HD1 LEU 40 0.121 11.333 -16.302 341 1HD2 LEU 40 1HD2 LEU 40 3.463 12.227 -18.059 342 2HD2 LEU 40 2HD2 LEU 40 2.671 13.818 -18.164 343 3HD2 LEU 40 3HD2 LEU 40 2.821 12.999 -16.591 344 H GLU 41 H GLU 41 -0.178 13.065 -21.310 345 HA GLU 41 HA GLU 41 -2.048 14.609 -20.004 346 1HB GLU 41 1HB GLU 41 -0.415 14.813 -22.301 347 2HB GLU 41 2HB GLU 41 -2.045 15.047 -22.900 348 1HG GLU 41 1HG GLU 41 -1.461 16.490 -20.362 349 2HG GLU 41 2HG GLU 41 -0.497 17.020 -21.727 350 H GLU 42 H GLU 42 -2.581 13.081 -23.261 351 HA GLU 42 HA GLU 42 -5.199 13.346 -23.442 352 1HB GLU 42 1HB GLU 42 -3.215 11.637 -24.601 353 2HB GLU 42 2HB GLU 42 -4.603 10.626 -24.245 354 1HG GLU 42 1HG GLU 42 -6.087 12.060 -25.533 355 2HG GLU 42 2HG GLU 42 -4.861 13.304 -25.684 356 H HIS 43 H HIS 43 -6.711 13.121 -21.836 357 HA HIS 43 HA HIS 43 -7.608 10.684 -21.024 358 1HB HIS 43 1HB HIS 43 -5.187 11.145 -19.743 359 2HB HIS 43 2HB HIS 43 -6.371 11.620 -18.542 360 HD1 HIS 43 HD1 HIS 43 -4.682 8.693 -19.880 361 HD2 HIS 43 HD2 HIS 43 -8.384 9.454 -18.061 362 HE1 HIS 43 HE1 HIS 43 -5.557 6.437 -19.069 363 HE2 HIS 43 HE2 HIS 43 -7.808 6.976 -17.913 364 HA PRO 44 HA PRO 44 -10.565 13.656 -19.867 365 1HB PRO 44 1HB PRO 44 -12.626 11.957 -19.284 366 2HB PRO 44 2HB PRO 44 -12.250 12.487 -20.912 367 1HG PRO 44 1HG PRO 44 -11.730 9.865 -19.648 368 2HG PRO 44 2HG PRO 44 -11.760 10.276 -21.351 369 1HD PRO 44 1HD PRO 44 -9.433 9.847 -19.731 370 2HD PRO 44 2HD PRO 44 -9.464 10.370 -21.403 371 H GLY 45 H GLY 45 -8.835 11.779 -17.884 372 1HA GLY 45 2HA GLY 45 -9.230 11.296 -15.575 373 2HA GLY 45 1HA GLY 45 -10.336 12.653 -15.497 374 H GLY 46 H GLY 46 -6.957 12.210 -16.780 375 1HA GLY 46 2HA GLY 46 -6.025 14.227 -14.860 376 2HA GLY 46 1HA GLY 46 -5.803 14.530 -16.573 377 H GLU 47 H GLU 47 -3.464 14.491 -16.240 378 HA GLU 47 HA GLU 47 -2.257 12.229 -17.013 379 1HB GLU 47 1HB GLU 47 -1.139 14.450 -15.251 380 2HB GLU 47 2HB GLU 47 -0.141 13.241 -16.035 381 1HG GLU 47 1HG GLU 47 -0.064 14.847 -17.694 382 2HG GLU 47 2HG GLU 47 -1.525 14.029 -18.212 383 H GLU 48 H GLU 48 -2.887 13.304 -13.625 384 HA GLU 48 HA GLU 48 -1.441 11.469 -12.281 385 1HB GLU 48 1HB GLU 48 -3.404 13.352 -11.661 386 2HB GLU 48 2HB GLU 48 -4.133 11.850 -11.126 387 1HG GLU 48 1HG GLU 48 -2.466 11.438 -9.530 388 2HG GLU 48 2HG GLU 48 -1.244 12.336 -10.411 389 H VAL 49 H VAL 49 -4.737 11.073 -13.712 390 HA VAL 49 HA VAL 49 -5.479 8.677 -12.740 391 HB VAL 49 HB VAL 49 -6.559 10.254 -14.458 392 1HG1 VAL 49 1HG1 VAL 49 -4.488 9.450 -16.071 393 2HG1 VAL 49 2HG1 VAL 49 -5.817 8.406 -16.629 394 3HG1 VAL 49 3HG1 VAL 49 -6.010 10.176 -16.640 395 1HG2 VAL 49 1HG2 VAL 49 -6.845 7.333 -14.100 396 2HG2 VAL 49 2HG2 VAL 49 -8.052 8.633 -13.961 397 3HG2 VAL 49 3HG2 VAL 49 -7.616 7.991 -15.563 398 H LEU 50 H LEU 50 -2.716 9.378 -14.806 399 HA LEU 50 HA LEU 50 -2.310 6.497 -15.180 400 1HB LEU 50 1HB LEU 50 -0.932 8.758 -16.624 401 2HB LEU 50 2HB LEU 50 -0.880 7.051 -17.012 402 HG LEU 50 HG LEU 50 -3.592 7.624 -17.117 403 1HD1 LEU 50 3HD1 LEU 50 -2.748 10.085 -16.962 404 2HD1 LEU 50 1HD1 LEU 50 -2.305 9.847 -18.670 405 3HD1 LEU 50 2HD1 LEU 50 -3.996 9.647 -18.153 406 1HD2 LEU 50 2HD2 LEU 50 -1.475 7.439 -19.264 407 2HD2 LEU 50 3HD2 LEU 50 -2.572 6.169 -18.674 408 3HD2 LEU 50 1HD2 LEU 50 -3.216 7.531 -19.620 409 H ARG 51 H ARG 51 -0.793 9.580 -14.081 410 HA ARG 51 HA ARG 51 1.623 8.428 -13.386 411 1HB ARG 51 1HB ARG 51 0.705 10.976 -13.504 412 2HB ARG 51 2HB ARG 51 0.544 10.740 -11.774 413 1HG ARG 51 1HG ARG 51 3.117 9.695 -12.628 414 2HG ARG 51 2HG ARG 51 2.929 11.321 -13.256 415 1HD ARG 51 1HD ARG 51 2.126 11.932 -10.823 416 2HD ARG 51 2HD ARG 51 2.852 10.406 -10.358 417 HE ARG 51 HE ARG 51 4.812 11.690 -11.898 418 1HH1 ARG 51 2HH1 ARG 51 6.479 12.967 -11.001 419 2HH1 ARG 51 1HH1 ARG 51 6.267 13.704 -9.448 420 1HH2 ARG 51 2HH2 ARG 51 3.023 12.424 -8.957 421 2HH2 ARG 51 1HH2 ARG 51 4.287 13.393 -8.278 422 H GLU 52 H GLU 52 -1.393 9.105 -11.491 423 HA GLU 52 HA GLU 52 -0.427 8.316 -9.041 424 1HB GLU 52 1HB GLU 52 -2.913 9.119 -10.164 425 2HB GLU 52 2HB GLU 52 -3.231 7.589 -9.371 426 1HG GLU 52 1HG GLU 52 -1.618 9.721 -7.936 427 2HG GLU 52 2HG GLU 52 -3.366 9.839 -7.982 428 H GLN 53 H GLN 53 -1.251 6.442 -11.882 429 HA GLN 53 HA GLN 53 -1.432 4.027 -10.298 430 1HB GLN 53 1HB GLN 53 -2.136 2.948 -12.409 431 2HB GLN 53 2HB GLN 53 -3.125 4.351 -12.060 432 1HG GLN 53 1HG GLN 53 -1.897 5.717 -13.669 433 2HG GLN 53 2HG GLN 53 -0.682 4.474 -13.884 434 1HE2 GLN 53 1HE2 GLN 53 -3.848 5.587 -14.671 435 2HE2 GLN 53 2HE2 GLN 53 -4.255 4.410 -15.874 436 H ALA 54 H ALA 54 0.704 5.832 -12.469 437 HA ALA 54 HA ALA 54 2.373 3.795 -13.321 438 1HB ALA 54 1HB ALA 54 2.634 6.756 -12.840 439 2HB ALA 54 2HB ALA 54 4.085 5.808 -13.249 440 3HB ALA 54 3HB ALA 54 2.701 5.846 -14.368 441 H GLY 55 H GLY 55 3.916 2.544 -12.354 442 1HA GLY 55 2HA GLY 55 4.612 3.234 -9.560 443 2HA GLY 55 1HA GLY 55 5.756 2.581 -10.714 444 H GLY 56 H GLY 56 3.248 0.951 -11.817 445 1HA GLY 56 2HA GLY 56 2.740 -0.922 -9.681 446 2HA GLY 56 1HA GLY 56 3.855 -1.520 -10.895 447 H ASP 57 H ASP 57 1.579 -2.946 -10.708 448 HA ASP 57 HA ASP 57 0.506 -2.710 -13.251 449 1HB ASP 57 1HB ASP 57 0.438 -4.869 -12.276 450 2HB ASP 57 2HB ASP 57 -0.194 -4.271 -10.755 451 H ALA 58 H ALA 58 -1.228 -1.456 -13.989 452 HA ALA 58 HA ALA 58 -2.773 -0.038 -11.943 453 1HB ALA 58 3HB ALA 58 -1.400 1.141 -13.796 454 2HB ALA 58 1HB ALA 58 -2.675 0.584 -14.907 455 3HB ALA 58 2HB ALA 58 -3.084 1.664 -13.553 456 H THR 59 H THR 59 -2.874 -2.715 -14.076 457 HA THR 59 HA THR 59 -5.401 -2.650 -15.152 458 HB THR 59 HB THR 59 -3.310 -4.401 -15.097 459 HG1 THR 59 HG1 THR 59 -5.514 -4.098 -16.359 460 1HG2 THR 59 3HG2 THR 59 -5.547 -5.647 -13.414 461 2HG2 THR 59 1HG2 THR 59 -4.182 -6.539 -14.129 462 3HG2 THR 59 2HG2 THR 59 -3.888 -5.334 -12.852 463 H GLU 60 H GLU 60 -4.446 -3.796 -11.853 464 HA GLU 60 HA GLU 60 -6.857 -4.660 -11.029 465 1HB GLU 60 1HB GLU 60 -6.092 -4.141 -8.730 466 2HB GLU 60 2HB GLU 60 -4.800 -4.836 -9.687 467 1HG GLU 60 1HG GLU 60 -3.515 -3.016 -9.286 468 2HG GLU 60 2HG GLU 60 -4.688 -2.001 -10.102 469 H ASN 61 H ASN 61 -5.908 -1.380 -11.807 470 HA ASN 61 HA ASN 61 -8.183 -0.320 -10.373 471 1HB ASN 61 1HB ASN 61 -5.600 0.702 -11.239 472 2HB ASN 61 2HB ASN 61 -6.854 1.697 -11.952 473 1HD2 ASN 61 1HD2 ASN 61 -5.150 0.825 -9.127 474 2HD2 ASN 61 2HD2 ASN 61 -5.949 1.856 -7.986 475 H PHE 62 H PHE 62 -6.648 -0.206 -13.686 476 HA PHE 62 HA PHE 62 -8.615 1.039 -15.066 477 1HB PHE 62 1HB PHE 62 -6.983 0.471 -16.607 478 2HB PHE 62 2HB PHE 62 -6.332 -0.717 -15.497 479 HD1 PHE 62 HD1 PHE 62 -7.297 -3.053 -15.518 480 HD2 PHE 62 HD2 PHE 62 -8.191 -0.193 -18.524 481 HE1 PHE 62 HE1 PHE 62 -8.054 -4.894 -17.046 482 HE2 PHE 62 HE2 PHE 62 -8.948 -2.034 -20.052 483 HZ PHE 62 HZ PHE 62 -8.870 -4.363 -19.295 484 H GLU 63 H GLU 63 -8.750 -2.124 -13.562 485 HA GLU 63 HA GLU 63 -10.747 -3.158 -15.262 486 1HB GLU 63 1HB GLU 63 -9.455 -3.948 -12.673 487 2HB GLU 63 2HB GLU 63 -11.020 -4.657 -13.019 488 1HG GLU 63 1HG GLU 63 -9.162 -4.675 -15.338 489 2HG GLU 63 2HG GLU 63 -8.588 -5.606 -13.970 490 H ASP 64 H ASP 64 -10.722 -1.587 -11.999 491 HA ASP 64 HA ASP 64 -13.417 -1.851 -11.519 492 1HB ASP 64 1HB ASP 64 -11.230 -0.749 -10.216 493 2HB ASP 64 2HB ASP 64 -12.157 0.688 -10.602 494 H VAL 65 H VAL 65 -11.461 0.744 -13.127 495 HA VAL 65 HA VAL 65 -13.712 2.424 -13.592 496 HB VAL 65 HB VAL 65 -11.857 3.691 -13.536 497 1HG1 VAL 65 3HG1 VAL 65 -10.404 1.261 -14.570 498 2HG1 VAL 65 1HG1 VAL 65 -9.621 2.859 -14.574 499 3HG1 VAL 65 2HG1 VAL 65 -10.181 2.147 -13.042 500 1HG2 VAL 65 3HG2 VAL 65 -12.841 4.033 -15.783 501 2HG2 VAL 65 1HG2 VAL 65 -11.092 4.361 -15.748 502 3HG2 VAL 65 2HG2 VAL 65 -11.698 2.840 -16.448 503 H GLY 66 H GLY 66 -12.937 -0.585 -14.790 504 1HA GLY 66 2HA GLY 66 -14.832 -0.906 -16.617 505 2HA GLY 66 1HA GLY 66 -13.255 -1.653 -16.778 506 H HIS 67 H HIS 67 -11.536 -0.479 -18.000 507 HA HIS 67 HA HIS 67 -12.225 1.827 -19.474 508 1HB HIS 67 1HB HIS 67 -9.932 -0.122 -19.504 509 2HB HIS 67 2HB HIS 67 -10.075 1.094 -20.758 510 HD1 HIS 67 HD1 HIS 67 -9.301 0.670 -17.106 511 HD2 HIS 67 HD2 HIS 67 -9.634 3.773 -19.909 512 HE1 HIS 67 HE1 HIS 67 -8.290 2.737 -16.007 513 HE2 HIS 67 HE2 HIS 67 -8.472 4.598 -17.796 514 H SER 68 H SER 68 -11.669 1.608 -22.062 515 HA SER 68 HA SER 68 -13.640 -0.335 -22.949 516 1HB SER 68 1HB SER 68 -14.200 1.131 -24.693 517 2HB SER 68 2HB SER 68 -13.835 2.236 -23.382 518 HG SER 68 HG SER 68 -12.163 3.014 -24.476 519 H THR 69 H THR 69 -13.193 -1.671 -24.833 520 HA THR 69 HA THR 69 -10.688 -2.786 -24.941 521 HB THR 69 HB THR 69 -13.096 -2.672 -26.785 522 HG1 THR 69 HG1 THR 69 -13.388 -4.511 -25.584 523 1HG2 THR 69 2HG2 THR 69 -10.937 -2.956 -28.186 524 2HG2 THR 69 3HG2 THR 69 -10.645 -4.438 -27.243 525 3HG2 THR 69 1HG2 THR 69 -12.095 -4.305 -28.267 526 H ASP 70 H ASP 70 -11.786 0.237 -26.329 527 HA ASP 70 HA ASP 70 -9.810 0.330 -28.329 528 1HB ASP 70 1HB ASP 70 -11.927 1.682 -28.334 529 2HB ASP 70 2HB ASP 70 -11.345 2.584 -26.949 530 H ALA 71 H ALA 71 -10.244 1.770 -25.018 531 HA ALA 71 HA ALA 71 -7.910 3.246 -24.923 532 1HB ALA 71 1HB ALA 71 -8.822 1.877 -22.435 533 2HB ALA 71 3HB ALA 71 -10.041 2.847 -23.296 534 3HB ALA 71 2HB ALA 71 -8.525 3.603 -22.749 535 H ARG 72 H ARG 72 -8.543 -0.218 -24.100 536 HA ARG 72 HA ARG 72 -5.978 -0.684 -23.150 537 1HB ARG 72 1HB ARG 72 -7.823 -2.726 -24.483 538 2HB ARG 72 2HB ARG 72 -6.576 -3.060 -23.298 539 1HG ARG 72 1HG ARG 72 -7.833 -1.678 -21.612 540 2HG ARG 72 2HG ARG 72 -9.093 -1.399 -22.799 541 1HD ARG 72 1HD ARG 72 -8.404 -3.932 -21.317 542 2HD ARG 72 2HD ARG 72 -9.979 -3.241 -21.653 543 HE ARG 72 HE ARG 72 -9.971 -4.250 -23.804 544 1HH1 ARG 72 2HH1 ARG 72 -9.246 -5.844 -25.274 545 2HH1 ARG 72 1HH1 ARG 72 -7.688 -6.568 -25.065 546 1HH2 ARG 72 2HH2 ARG 72 -6.885 -4.717 -22.179 547 2HH2 ARG 72 1HH2 ARG 72 -6.335 -5.924 -23.293 548 H GLU 73 H GLU 73 -7.494 -0.884 -26.406 549 HA GLU 73 HA GLU 73 -5.385 -2.219 -27.635 550 1HB GLU 73 1HB GLU 73 -7.888 -0.941 -28.402 551 2HB GLU 73 2HB GLU 73 -6.639 -0.551 -29.568 552 1HG GLU 73 1HG GLU 73 -6.157 -2.898 -29.975 553 2HG GLU 73 2HG GLU 73 -7.131 -3.402 -28.607 554 H LEU 74 H LEU 74 -6.128 1.275 -27.135 555 HA LEU 74 HA LEU 74 -4.070 2.267 -28.741 556 1HB LEU 74 1HB LEU 74 -4.909 4.227 -28.154 557 2HB LEU 74 2HB LEU 74 -6.164 3.303 -27.353 558 HG LEU 74 HG LEU 74 -4.226 3.425 -25.403 559 1HD1 LEU 74 1HD1 LEU 74 -4.139 5.999 -26.990 560 2HD1 LEU 74 2HD1 LEU 74 -3.617 5.861 -25.294 561 3HD1 LEU 74 3HD1 LEU 74 -2.786 4.925 -26.560 562 1HD2 LEU 74 2HD2 LEU 74 -6.847 4.549 -25.930 563 2HD2 LEU 74 3HD2 LEU 74 -6.139 3.962 -24.406 564 3HD2 LEU 74 1HD2 LEU 74 -5.858 5.641 -24.928 565 H SER 75 H SER 75 -4.181 1.153 -25.332 566 HA SER 75 HA SER 75 -1.744 2.139 -24.554 567 1HB SER 75 1HB SER 75 -2.043 -0.373 -23.276 568 2HB SER 75 2HB SER 75 -2.516 1.195 -22.655 569 HG SER 75 HG SER 75 -4.100 -0.877 -23.581 570 H LYS 76 H LYS 76 -2.599 -0.572 -26.658 571 HA LYS 76 HA LYS 76 -0.310 -2.113 -26.433 572 1HB LYS 76 1HB LYS 76 -1.254 -3.321 -28.074 573 2HB LYS 76 2HB LYS 76 -2.636 -2.277 -27.821 574 1HG LYS 76 1HG LYS 76 -1.740 -0.711 -29.587 575 2HG LYS 76 2HG LYS 76 -0.421 -1.828 -29.876 576 1HD LYS 76 1HD LYS 76 -2.196 -3.631 -30.344 577 2HD LYS 76 2HD LYS 76 -3.395 -2.354 -30.302 578 1HE LYS 76 1HE LYS 76 -2.754 -1.496 -32.341 579 2HE LYS 76 2HE LYS 76 -1.048 -1.754 -32.032 580 1HZ LYS 76 2HZ LYS 76 -1.928 -4.246 -32.228 581 2HZ LYS 76 3HZ LYS 76 -2.946 -3.504 -33.268 582 3HZ LYS 76 1HZ LYS 76 -1.332 -3.396 -33.487 583 H THR 77 H THR 77 -0.704 1.126 -27.555 584 HA THR 77 HA THR 77 1.568 1.035 -29.343 585 HB THR 77 HB THR 77 0.934 3.314 -29.808 586 HG1 THR 77 HG1 THR 77 -0.696 3.070 -27.385 587 1HG2 THR 77 1HG2 THR 77 -1.275 1.373 -29.389 588 2HG2 THR 77 2HG2 THR 77 -1.795 3.072 -29.287 589 3HG2 THR 77 3HG2 THR 77 -0.988 2.475 -30.757 590 H PHE 78 H PHE 78 0.894 1.667 -25.943 591 HA PHE 78 HA PHE 78 3.505 2.902 -25.626 592 1HB PHE 78 1HB PHE 78 1.428 2.134 -23.505 593 2HB PHE 78 2HB PHE 78 2.632 3.402 -23.388 594 HD1 PHE 78 HD1 PHE 78 -0.627 3.186 -23.305 595 HD2 PHE 78 HD2 PHE 78 2.278 4.849 -25.916 596 HE1 PHE 78 HE1 PHE 78 -2.312 4.862 -24.116 597 HE2 PHE 78 HE2 PHE 78 0.592 6.524 -26.725 598 HZ PHE 78 HZ PHE 78 -1.683 6.510 -25.815 599 H ILE 79 H ILE 79 2.083 -0.220 -25.634 600 HA ILE 79 HA ILE 79 3.349 -1.452 -23.498 601 HB ILE 79 HB ILE 79 2.103 -2.271 -26.050 602 1HG1 ILE 79 1HG1 ILE 79 1.689 -2.576 -23.141 603 2HG1 ILE 79 2HG1 ILE 79 0.525 -2.384 -24.437 604 1HG2 ILE 79 1HG2 ILE 79 4.197 -3.535 -26.145 605 2HG2 ILE 79 2HG2 ILE 79 3.899 -4.163 -24.507 606 3HG2 ILE 79 3HG2 ILE 79 2.803 -4.599 -25.841 607 1HD1 ILE 79 2HD1 ILE 79 0.950 -4.772 -25.128 608 2HD1 ILE 79 3HD1 ILE 79 2.021 -4.945 -23.717 609 3HD1 ILE 79 1HD1 ILE 79 0.286 -4.622 -23.485 610 H ILE 80 H ILE 80 5.475 -1.393 -23.012 611 HA ILE 80 HA ILE 80 7.343 -1.479 -25.275 612 HB ILE 80 HB ILE 80 8.957 -0.456 -23.756 613 1HG1 ILE 80 1HG1 ILE 80 6.781 0.050 -21.744 614 2HG1 ILE 80 2HG1 ILE 80 7.693 -1.445 -21.682 615 1HG2 ILE 80 1HG2 ILE 80 6.908 0.762 -25.087 616 2HG2 ILE 80 2HG2 ILE 80 6.724 1.434 -23.449 617 3HG2 ILE 80 3HG2 ILE 80 8.272 1.603 -24.312 618 1HD1 ILE 80 3HD1 ILE 80 9.343 1.017 -22.031 619 2HD1 ILE 80 1HD1 ILE 80 8.498 0.871 -20.471 620 3HD1 ILE 80 2HD1 ILE 80 9.623 -0.406 -20.998 621 H GLY 81 H GLY 81 6.059 -3.165 -22.502 622 1HA GLY 81 2HA GLY 81 8.174 -4.748 -21.699 623 2HA GLY 81 1HA GLY 81 7.531 -5.517 -23.137 624 H GLU 82 H GLU 82 7.461 -6.561 -20.387 625 HA GLU 82 HA GLU 82 4.753 -6.193 -19.541 626 1HB GLU 82 1HB GLU 82 5.451 -9.064 -20.054 627 2HB GLU 82 2HB GLU 82 3.885 -8.279 -20.071 628 1HG GLU 82 1HG GLU 82 4.443 -7.166 -22.228 629 2HG GLU 82 2HG GLU 82 6.039 -7.892 -22.205 630 H LEU 83 H LEU 83 4.325 -7.372 -17.446 631 HA LEU 83 HA LEU 83 6.528 -7.101 -15.735 632 1HB LEU 83 1HB LEU 83 4.139 -6.778 -15.148 633 2HB LEU 83 2HB LEU 83 3.899 -8.510 -15.258 634 HG LEU 83 HG LEU 83 4.523 -8.771 -13.147 635 1HD1 LEU 83 1HD1 LEU 83 7.065 -7.414 -14.037 636 2HD1 LEU 83 2HD1 LEU 83 6.819 -7.956 -12.359 637 3HD1 LEU 83 3HD1 LEU 83 6.772 -9.135 -13.692 638 1HD2 LEU 83 1HD2 LEU 83 3.957 -6.023 -13.367 639 2HD2 LEU 83 2HD2 LEU 83 3.920 -7.034 -11.903 640 3HD2 LEU 83 3HD2 LEU 83 5.401 -6.148 -12.334 641 H HIS 84 H HIS 84 8.200 -8.442 -15.333 642 HA HIS 84 HA HIS 84 8.387 -10.899 -16.657 643 1HB HIS 84 1HB HIS 84 10.080 -9.147 -15.229 644 2HB HIS 84 2HB HIS 84 10.191 -10.689 -14.404 645 HD1 HIS 84 HD1 HIS 84 12.749 -10.207 -15.556 646 HD2 HIS 84 HD2 HIS 84 9.637 -11.582 -18.009 647 HE1 HIS 84 HE1 HIS 84 13.858 -11.210 -17.623 648 HE2 HIS 84 HE2 HIS 84 11.899 -12.088 -19.068 649 HA PRO 85 HA PRO 85 6.995 -13.756 -13.694 650 1HB PRO 85 1HB PRO 85 9.008 -15.532 -13.185 651 2HB PRO 85 2HB PRO 85 8.033 -15.580 -14.639 652 1HG PRO 85 1HG PRO 85 10.818 -14.646 -14.305 653 2HG PRO 85 2HG PRO 85 9.980 -15.097 -15.777 654 1HD PRO 85 1HD PRO 85 10.554 -12.435 -14.877 655 2HD PRO 85 2HD PRO 85 9.617 -12.885 -16.288 656 H ASP 86 H ASP 86 8.793 -11.384 -12.704 657 HA ASP 86 HA ASP 86 9.576 -12.338 -10.171 658 1HB ASP 86 1HB ASP 86 10.813 -10.458 -10.644 659 2HB ASP 86 2HB ASP 86 9.565 -9.776 -11.668 660 H ASP 87 H ASP 87 6.653 -11.007 -11.651 661 HA ASP 87 HA ASP 87 5.135 -11.605 -9.380 662 1HB ASP 87 1HB ASP 87 5.791 -8.696 -9.955 663 2HB ASP 87 2HB ASP 87 4.258 -9.121 -9.221 664 H ARG 88 H ARG 88 4.431 -12.747 -11.516 665 HA ARG 88 HA ARG 88 3.146 -11.048 -13.409 666 1HB ARG 88 1HB ARG 88 3.064 -14.099 -13.206 667 2HB ARG 88 2HB ARG 88 2.667 -13.144 -14.620 668 1HG ARG 88 1HG ARG 88 5.377 -12.627 -13.476 669 2HG ARG 88 2HG ARG 88 5.149 -14.235 -14.133 670 1HD ARG 88 1HD ARG 88 4.444 -11.692 -15.671 671 2HD ARG 88 2HD ARG 88 5.997 -12.489 -15.802 672 HE ARG 88 HE ARG 88 3.710 -14.278 -16.247 673 1HH1 ARG 88 2HH1 ARG 88 3.467 -15.173 -18.336 674 2HH1 ARG 88 1HH1 ARG 88 4.367 -14.524 -19.666 675 1HH2 ARG 88 2HH2 ARG 88 6.001 -12.066 -17.745 676 2HH2 ARG 88 1HH2 ARG 88 5.817 -12.745 -19.327 677 H SER 89 H SER 89 1.974 -14.020 -11.652 678 HA SER 89 HA SER 89 -0.695 -13.270 -11.910 679 1HB SER 89 1HB SER 89 -1.028 -15.106 -10.131 680 2HB SER 89 2HB SER 89 -0.257 -15.586 -11.630 681 HG SER 89 HG SER 89 1.729 -15.720 -10.628 682 H LYS 90 H LYS 90 1.767 -11.972 -9.985 683 HA LYS 90 HA LYS 90 0.216 -11.509 -7.621 684 1HB LYS 90 1HB LYS 90 2.969 -10.920 -8.579 685 2HB LYS 90 2HB LYS 90 2.307 -9.818 -7.389 686 1HG LYS 90 1HG LYS 90 1.979 -12.781 -6.913 687 2HG LYS 90 2HG LYS 90 3.565 -12.078 -6.662 688 1HD LYS 90 1HD LYS 90 2.898 -10.874 -4.808 689 2HD LYS 90 2HD LYS 90 1.310 -10.534 -5.464 690 1HE LYS 90 1HE LYS 90 0.369 -12.372 -4.469 691 2HE LYS 90 2HE LYS 90 1.711 -13.412 -4.905 692 1HZ LYS 90 1HZ LYS 90 2.914 -12.038 -3.097 693 2HZ LYS 90 2HZ LYS 90 1.404 -11.731 -2.557 694 3HZ LYS 90 3HZ LYS 90 1.934 -13.272 -2.665 695 H ILE 91 H ILE 91 0.242 -10.245 -10.787 696 HA ILE 91 HA ILE 91 -1.200 -7.893 -9.816 697 HB ILE 91 HB ILE 91 -0.030 -6.388 -11.062 698 1HG1 ILE 91 1HG1 ILE 91 1.032 -8.647 -12.785 699 2HG1 ILE 91 2HG1 ILE 91 -0.262 -7.545 -13.212 700 1HG2 ILE 91 1HG2 ILE 91 1.388 -7.745 -9.287 701 2HG2 ILE 91 2HG2 ILE 91 2.329 -8.193 -10.731 702 3HG2 ILE 91 3HG2 ILE 91 2.122 -6.478 -10.299 703 1HD1 ILE 91 1HD1 ILE 91 2.194 -6.151 -12.323 704 2HD1 ILE 91 2HD1 ILE 91 2.424 -7.148 -13.779 705 3HD1 ILE 91 3HD1 ILE 91 1.185 -5.870 -13.762 706 H THR 92 H THR 92 -0.429 -10.211 -12.458 707 HA THR 92 HA THR 92 -2.031 -9.654 -14.451 708 HB THR 92 HB THR 92 -0.761 -11.880 -13.667 709 HG1 THR 92 HG1 THR 92 -3.180 -11.630 -15.312 710 1HG2 THR 92 3HG2 THR 92 -2.683 -12.409 -11.994 711 2HG2 THR 92 1HG2 THR 92 -3.695 -12.695 -13.431 712 3HG2 THR 92 2HG2 THR 92 -2.255 -13.701 -13.142 713 H LYS 93 H LYS 93 -4.168 -9.549 -15.084 714 HA LYS 93 HA LYS 93 -6.000 -8.504 -13.457 715 1HB LYS 93 1HB LYS 93 -6.346 -8.600 -15.822 716 2HB LYS 93 2HB LYS 93 -6.398 -10.352 -15.819 717 1HG LYS 93 1HG LYS 93 -8.374 -9.630 -13.948 718 2HG LYS 93 2HG LYS 93 -8.535 -8.419 -15.203 719 1HD LYS 93 1HD LYS 93 -9.657 -9.928 -16.465 720 2HD LYS 93 2HD LYS 93 -8.186 -10.872 -16.592 721 1HE LYS 93 1HE LYS 93 -9.327 -11.362 -13.983 722 2HE LYS 93 2HE LYS 93 -10.607 -11.528 -15.168 723 1HZ LYS 93 1HZ LYS 93 -7.991 -12.844 -15.399 724 2HZ LYS 93 2HZ LYS 93 -9.331 -13.563 -14.805 725 3HZ LYS 93 3HZ LYS 93 -9.287 -13.081 -16.364 726 HA PRO 94 HA PRO 94 -6.660 -11.834 -10.658 727 1HB PRO 94 1HB PRO 94 -7.715 -10.330 -8.636 728 2HB PRO 94 2HB PRO 94 -5.996 -10.615 -8.821 729 1HG PRO 94 1HG PRO 94 -7.546 -8.168 -9.413 730 2HG PRO 94 2HG PRO 94 -5.816 -8.345 -9.186 731 1HD PRO 94 1HD PRO 94 -7.195 -8.028 -11.682 732 2HD PRO 94 2HD PRO 94 -5.482 -8.322 -11.461 733 H SER 95 H SER 95 -8.688 -12.337 -9.068 734 HA SER 95 HA SER 95 -11.064 -11.612 -10.520 735 1HB SER 95 1HB SER 95 -11.790 -14.031 -10.657 736 2HB SER 95 2HB SER 95 -10.463 -13.616 -11.722 737 HG SER 95 HG SER 95 -10.529 -15.538 -9.830 738 H GLU 96 H GLU 96 -13.080 -12.388 -9.285 739 HA GLU 96 HA GLU 96 -14.242 -12.597 -7.462 740 1HB GLU 96 1HB GLU 96 -12.678 -14.628 -7.121 741 2HB GLU 96 2HB GLU 96 -11.802 -13.635 -5.975 742 1HG GLU 96 1HG GLU 96 -13.401 -13.891 -4.372 743 2HG GLU 96 2HG GLU 96 -14.695 -13.503 -5.489 744 H SER 97 H SER 97 -14.920 -11.098 -5.929 745 HA SER 97 HA SER 97 -12.889 -9.544 -4.605 746 1HB SER 97 1HB SER 97 -13.623 -8.435 -6.860 747 2HB SER 97 2HB SER 97 -15.132 -8.086 -6.041 748 HG SER 97 HG SER 97 -12.557 -6.983 -5.638 749 H ILE 98 H ILE 98 -14.095 -7.913 -3.005 750 HA ILE 98 HA ILE 98 -16.726 -8.777 -2.245 751 HB ILE 98 HB ILE 98 -15.082 -10.470 -1.289 752 1HG1 ILE 98 1HG1 ILE 98 -16.481 -9.366 1.048 753 2HG1 ILE 98 2HG1 ILE 98 -17.490 -9.473 -0.381 754 1HG2 ILE 98 1HG2 ILE 98 -13.765 -8.166 -0.411 755 2HG2 ILE 98 2HG2 ILE 98 -14.496 -8.868 1.052 756 3HG2 ILE 98 3HG2 ILE 98 -13.413 -9.851 0.038 757 1HD1 ILE 98 2HD1 ILE 98 -16.580 -11.887 -0.655 758 2HD1 ILE 98 3HD1 ILE 98 -15.977 -11.710 1.011 759 3HD1 ILE 98 1HD1 ILE 98 -17.722 -11.595 0.679 760 H ILE 99 H ILE 99 -17.796 -7.200 -1.019 761 HA ILE 99 HA ILE 99 -16.163 -4.830 -0.428 762 HB ILE 99 HB ILE 99 -18.873 -5.047 -1.714 763 1HG1 ILE 99 1HG1 ILE 99 -17.453 -3.193 -3.104 764 2HG1 ILE 99 2HG1 ILE 99 -16.152 -4.228 -2.553 765 1HG2 ILE 99 3HG2 ILE 99 -19.023 -3.418 0.123 766 2HG2 ILE 99 1HG2 ILE 99 -17.622 -2.547 -0.548 767 3HG2 ILE 99 2HG2 ILE 99 -19.138 -2.645 -1.476 768 1HD1 ILE 99 2HD1 ILE 99 -18.280 -5.952 -3.409 769 2HD1 ILE 99 3HD1 ILE 99 -18.050 -4.714 -4.667 770 3HD1 ILE 99 1HD1 ILE 99 -16.680 -5.730 -4.157 771 H THR 100 H THR 100 -17.059 -3.456 1.345 772 HA THR 100 HA THR 100 -18.866 -4.889 3.137 773 HB THR 100 HB THR 100 -16.467 -5.558 3.666 774 HG1 THR 100 HG1 THR 100 -17.781 -3.709 5.529 775 1HG2 THR 100 2HG2 THR 100 -16.288 -2.562 4.270 776 2HG2 THR 100 3HG2 THR 100 -15.158 -3.771 4.928 777 3HG2 THR 100 1HG2 THR 100 -15.239 -3.489 3.173 778 H THR 101 H THR 101 -20.034 -3.566 4.556 779 HA THR 101 HA THR 101 -19.463 -0.738 4.591 780 HB THR 101 HB THR 101 -20.709 -1.128 2.412 781 HG1 THR 101 HG1 THR 101 -21.683 0.795 2.964 782 1HG2 THR 101 3HG2 THR 101 -22.191 -3.021 3.410 783 2HG2 THR 101 1HG2 THR 101 -23.089 -1.721 4.229 784 3HG2 THR 101 2HG2 THR 101 -23.030 -1.778 2.451 785 H ILE 102 H ILE 102 -20.020 0.135 6.505 786 HA ILE 102 HA ILE 102 -22.281 -0.670 7.952 787 HB ILE 102 HB ILE 102 -20.997 -2.723 8.277 788 1HG1 ILE 102 1HG1 ILE 102 -20.935 -2.554 10.876 789 2HG1 ILE 102 2HG1 ILE 102 -21.569 -0.939 10.635 790 1HG2 ILE 102 1HG2 ILE 102 -18.828 -0.854 8.777 791 2HG2 ILE 102 2HG2 ILE 102 -18.997 -2.043 10.091 792 3HG2 ILE 102 3HG2 ILE 102 -18.781 -2.596 8.413 793 1HD1 ILE 102 2HD1 ILE 102 -22.818 -3.505 9.547 794 2HD1 ILE 102 3HD1 ILE 102 -23.405 -2.573 10.945 795 3HD1 ILE 102 1HD1 ILE 102 -23.466 -1.864 9.313 796 H ASP 103 H ASP 103 -22.722 0.825 9.589 797 HA ASP 103 HA ASP 103 -20.587 2.762 10.020 798 1HB ASP 103 1HB ASP 103 -22.099 4.571 9.801 799 2HB ASP 103 2HB ASP 103 -22.561 3.493 8.498 800 H SER 104 H SER 104 -20.442 3.543 12.217 801 HA SER 104 HA SER 104 -22.464 3.252 14.073 802 1HB SER 104 1HB SER 104 -21.994 0.814 13.833 803 2HB SER 104 2HB SER 104 -20.317 1.092 14.258 804 HG SER 104 HG SER 104 -22.314 2.050 16.058 No H/Q in entry = 804 Start of MODEL 40 1 H ALA 1 H ALA 1 31.928 2.269 -36.845 2 HA ALA 1 HA ALA 1 31.049 1.220 -35.104 3 1HB ALA 1 1HB ALA 1 32.110 2.751 -32.910 4 2HB ALA 1 2HB ALA 1 32.653 1.174 -33.535 5 3HB ALA 1 3HB ALA 1 33.332 2.679 -34.203 6 H GLU 2 H GLU 2 29.150 1.216 -33.888 7 HA GLU 2 HA GLU 2 28.136 3.324 -32.511 8 1HB GLU 2 1HB GLU 2 27.913 3.825 -35.308 9 2HB GLU 2 2HB GLU 2 26.299 3.413 -34.765 10 1HG GLU 2 1HG GLU 2 26.139 5.259 -33.354 11 2HG GLU 2 2HG GLU 2 27.858 5.295 -33.019 12 H GLU 3 H GLU 3 25.610 3.021 -32.162 13 HA GLU 3 HA GLU 3 24.367 0.721 -32.985 14 1HB GLU 3 1HB GLU 3 26.353 0.233 -30.917 15 2HB GLU 3 2HB GLU 3 24.756 -0.120 -30.289 16 1HG GLU 3 1HG GLU 3 24.537 -1.296 -32.748 17 2HG GLU 3 2HG GLU 3 26.265 -1.461 -32.503 18 H SER 4 H SER 4 22.511 0.116 -31.223 19 HA SER 4 HA SER 4 21.815 1.888 -29.287 20 1HB SER 4 1HB SER 4 19.976 3.195 -30.507 21 2HB SER 4 2HB SER 4 21.622 3.715 -30.802 22 HG SER 4 HG SER 4 21.503 2.205 -32.749 23 H SER 5 H SER 5 19.341 1.698 -28.763 24 HA SER 5 HA SER 5 17.704 -0.033 -30.071 25 1HB SER 5 1HB SER 5 19.811 -1.442 -28.655 26 2HB SER 5 2HB SER 5 18.271 -1.811 -27.904 27 HG SER 5 HG SER 5 18.476 -3.302 -29.553 28 H LYS 6 H LYS 6 15.820 -0.766 -28.585 29 HA LYS 6 HA LYS 6 15.659 0.121 -25.949 30 1HB LYS 6 1HB LYS 6 14.226 2.097 -26.187 31 2HB LYS 6 2HB LYS 6 15.829 2.372 -26.839 32 1HG LYS 6 1HG LYS 6 14.863 1.721 -29.145 33 2HG LYS 6 2HG LYS 6 13.277 1.795 -28.404 34 1HD LYS 6 1HD LYS 6 14.382 4.199 -27.569 35 2HD LYS 6 2HD LYS 6 15.123 4.008 -29.146 36 1HE LYS 6 1HE LYS 6 13.146 4.350 -30.258 37 2HE LYS 6 2HE LYS 6 12.230 3.359 -29.140 38 1HZ LYS 6 2HZ LYS 6 12.483 5.261 -27.552 39 2HZ LYS 6 3HZ LYS 6 13.013 6.162 -28.807 40 3HZ LYS 6 1HZ LYS 6 11.506 5.531 -28.833 41 H ALA 7 H ALA 7 14.302 -1.403 -25.189 42 HA ALA 7 HA ALA 7 11.671 -1.620 -25.907 43 1HB ALA 7 1HB ALA 7 11.672 -2.697 -27.881 44 2HB ALA 7 2HB ALA 7 13.439 -2.908 -27.826 45 3HB ALA 7 3HB ALA 7 12.376 -4.102 -27.044 46 H VAL 8 H VAL 8 11.888 -1.639 -23.545 47 HA VAL 8 HA VAL 8 13.269 -3.289 -21.977 48 HB VAL 8 HB VAL 8 11.968 -1.969 -20.722 49 1HG1 VAL 8 3HG1 VAL 8 10.091 -2.150 -23.021 50 2HG1 VAL 8 1HG1 VAL 8 9.375 -1.756 -21.439 51 3HG1 VAL 8 2HG1 VAL 8 10.665 -0.730 -22.112 52 1HG2 VAL 8 1HG2 VAL 8 11.449 -4.299 -19.987 53 2HG2 VAL 8 2HG2 VAL 8 10.171 -3.123 -19.597 54 3HG2 VAL 8 3HG2 VAL 8 9.968 -4.238 -20.970 55 H LYS 9 H LYS 9 9.985 -4.189 -23.269 56 HA LYS 9 HA LYS 9 9.233 -6.144 -24.015 57 1HB LYS 9 1HB LYS 9 11.970 -6.422 -24.472 58 2HB LYS 9 2HB LYS 9 11.553 -7.862 -23.564 59 1HG LYS 9 1HG LYS 9 9.680 -8.329 -25.152 60 2HG LYS 9 2HG LYS 9 10.078 -6.880 -26.055 61 1HD LYS 9 1HD LYS 9 12.504 -7.969 -26.187 62 2HD LYS 9 2HD LYS 9 11.651 -9.457 -25.827 63 1HE LYS 9 1HE LYS 9 10.294 -7.875 -27.918 64 2HE LYS 9 2HE LYS 9 11.936 -8.293 -28.365 65 1HZ LYS 9 1HZ LYS 9 11.350 -10.601 -27.684 66 2HZ LYS 9 2HZ LYS 9 9.790 -10.131 -27.586 67 3HZ LYS 9 3HZ LYS 9 10.577 -10.058 -29.016 68 H TYR 10 H TYR 10 11.555 -6.654 -21.265 69 HA TYR 10 HA TYR 10 9.282 -7.696 -19.736 70 1HB TYR 10 1HB TYR 10 11.555 -9.153 -18.931 71 2HB TYR 10 2HB TYR 10 10.318 -9.769 -20.009 72 HD1 TYR 10 HD1 TYR 10 13.448 -7.700 -20.128 73 HD2 TYR 10 HD2 TYR 10 10.962 -10.574 -22.094 74 HE1 TYR 10 HE1 TYR 10 15.172 -7.933 -21.983 75 HE2 TYR 10 HE2 TYR 10 12.694 -10.797 -23.942 76 HH TYR 10 HH TYR 10 14.714 -8.855 -24.760 77 H TYR 11 H TYR 11 9.064 -6.392 -17.990 78 HA TYR 11 HA TYR 11 11.552 -5.421 -16.752 79 1HB TYR 11 1HB TYR 11 9.089 -4.153 -17.792 80 2HB TYR 11 2HB TYR 11 9.267 -3.800 -16.085 81 HD1 TYR 11 HD1 TYR 11 12.241 -4.305 -18.190 82 HD2 TYR 11 HD2 TYR 11 9.572 -1.412 -16.512 83 HE1 TYR 11 HE1 TYR 11 13.891 -2.453 -18.743 84 HE2 TYR 11 HE2 TYR 11 11.232 0.431 -17.070 85 HH TYR 11 HH TYR 11 14.185 -0.289 -18.878 86 H THR 12 H THR 12 11.223 -4.824 -14.371 87 HA THR 12 HA THR 12 9.496 -6.874 -13.155 88 HB THR 12 HB THR 12 11.169 -6.956 -11.387 89 HG1 THR 12 HG1 THR 12 12.895 -5.299 -11.510 90 1HG2 THR 12 2HG2 THR 12 12.618 -6.571 -14.061 91 2HG2 THR 12 3HG2 THR 12 13.317 -7.331 -12.613 92 3HG2 THR 12 1HG2 THR 12 11.959 -8.111 -13.459 93 H LEU 13 H LEU 13 8.227 -6.376 -11.326 94 HA LEU 13 HA LEU 13 6.825 -4.061 -11.440 95 1HB LEU 13 1HB LEU 13 7.286 -6.156 -9.396 96 2HB LEU 13 2HB LEU 13 6.577 -4.659 -8.825 97 HG LEU 13 HG LEU 13 5.470 -6.564 -10.893 98 1HD1 LEU 13 3HD1 LEU 13 5.213 -6.746 -8.257 99 2HD1 LEU 13 1HD1 LEU 13 3.925 -5.550 -8.549 100 3HD1 LEU 13 2HD1 LEU 13 3.875 -7.132 -9.366 101 1HD2 LEU 13 3HD2 LEU 13 4.762 -3.691 -10.374 102 2HD2 LEU 13 1HD2 LEU 13 4.914 -4.569 -11.916 103 3HD2 LEU 13 2HD2 LEU 13 3.504 -4.852 -10.867 104 H GLU 14 H GLU 14 9.924 -4.694 -9.765 105 HA GLU 14 HA GLU 14 9.930 -2.344 -8.285 106 1HB GLU 14 1HB GLU 14 11.689 -4.563 -8.783 107 2HB GLU 14 2HB GLU 14 12.621 -3.096 -8.999 108 1HG GLU 14 1HG GLU 14 12.844 -3.203 -6.718 109 2HG GLU 14 2HG GLU 14 11.276 -2.424 -6.722 110 H GLU 15 H GLU 15 11.297 -3.171 -11.535 111 HA GLU 15 HA GLU 15 12.543 -0.773 -11.989 112 1HB GLU 15 1HB GLU 15 11.186 -2.614 -14.009 113 2HB GLU 15 2HB GLU 15 12.367 -1.382 -14.409 114 1HG GLU 15 1HG GLU 15 13.265 -3.221 -12.260 115 2HG GLU 15 2HG GLU 15 12.951 -4.032 -13.782 116 H ILE 16 H ILE 16 9.113 -1.740 -12.383 117 HA ILE 16 HA ILE 16 8.414 0.703 -13.701 118 HB ILE 16 HB ILE 16 6.577 -1.310 -12.416 119 1HG1 ILE 16 1HG1 ILE 16 7.058 -1.625 -15.288 120 2HG1 ILE 16 2HG1 ILE 16 8.489 -1.938 -14.326 121 1HG2 ILE 16 1HG2 ILE 16 6.109 1.123 -13.735 122 2HG2 ILE 16 2HG2 ILE 16 5.704 -0.152 -14.913 123 3HG2 ILE 16 3HG2 ILE 16 4.923 -0.135 -13.313 124 1HD1 ILE 16 3HD1 ILE 16 6.068 -3.116 -13.124 125 2HD1 ILE 16 1HD1 ILE 16 6.395 -3.731 -14.762 126 3HD1 ILE 16 2HD1 ILE 16 7.635 -3.875 -13.494 127 H GLN 17 H GLN 17 8.638 -0.525 -10.382 128 HA GLN 17 HA GLN 17 6.964 1.357 -9.217 129 1HB GLN 17 1HB GLN 17 8.259 -0.846 -8.322 130 2HB GLN 17 2HB GLN 17 9.356 0.371 -7.697 131 1HG GLN 17 1HG GLN 17 6.509 1.045 -7.239 132 2HG GLN 17 2HG GLN 17 6.982 -0.461 -6.482 133 1HE2 GLN 17 1HE2 GLN 17 6.485 0.843 -4.553 134 2HE2 GLN 17 2HE2 GLN 17 7.744 1.786 -3.826 135 H LYS 18 H LYS 18 10.422 1.409 -10.153 136 HA LYS 18 HA LYS 18 11.042 3.794 -8.780 137 1HB LYS 18 1HB LYS 18 12.390 2.491 -11.163 138 2HB LYS 18 2HB LYS 18 13.074 3.767 -10.176 139 1HG LYS 18 1HG LYS 18 12.832 2.261 -8.150 140 2HG LYS 18 2HG LYS 18 12.283 0.978 -9.212 141 1HD LYS 18 1HD LYS 18 14.461 0.410 -9.505 142 2HD LYS 18 2HD LYS 18 14.646 1.878 -10.444 143 1HE LYS 18 1HE LYS 18 15.066 3.104 -8.211 144 2HE LYS 18 2HE LYS 18 15.160 1.524 -7.459 145 1HZ LYS 18 1HZ LYS 18 16.753 1.926 -9.833 146 2HZ LYS 18 2HZ LYS 18 17.238 2.711 -8.486 147 3HZ LYS 18 3HZ LYS 18 17.100 1.083 -8.477 148 H HIS 19 H HIS 19 9.497 3.022 -11.875 149 HA HIS 19 HA HIS 19 9.748 5.764 -12.753 150 1HB HIS 19 1HB HIS 19 8.745 3.207 -13.968 151 2HB HIS 19 2HB HIS 19 8.261 4.741 -14.663 152 HD1 HIS 19 HD1 HIS 19 9.626 4.788 -16.786 153 HD2 HIS 19 HD2 HIS 19 11.938 3.893 -13.401 154 HE1 HIS 19 HE1 HIS 19 12.056 4.773 -17.563 155 HE2 HIS 19 HE2 HIS 19 13.432 4.271 -15.429 156 H ASN 20 H ASN 20 8.555 6.926 -11.169 157 HA ASN 20 HA ASN 20 5.696 6.488 -11.443 158 1HB ASN 20 1HB ASN 20 7.104 5.899 -9.105 159 2HB ASN 20 2HB ASN 20 6.578 7.542 -8.799 160 1HD2 ASN 20 1HD2 ASN 20 5.753 4.300 -8.747 161 2HD2 ASN 20 2HD2 ASN 20 4.041 4.418 -8.513 162 H ASN 21 H ASN 21 7.909 8.375 -12.528 163 HA ASN 21 HA ASN 21 6.942 10.861 -11.375 164 1HB ASN 21 1HB ASN 21 9.490 9.983 -12.706 165 2HB ASN 21 2HB ASN 21 8.977 11.619 -13.061 166 1HD2 ASN 21 1HD2 ASN 21 9.913 9.353 -10.570 167 2HD2 ASN 21 2HD2 ASN 21 10.295 10.494 -9.326 168 H SER 22 H SER 22 6.441 12.655 -12.976 169 HA SER 22 HA SER 22 4.770 11.765 -14.981 170 1HB SER 22 1HB SER 22 4.375 14.048 -15.435 171 2HB SER 22 2HB SER 22 4.856 14.050 -13.751 172 HG SER 22 HG SER 22 6.559 14.649 -16.019 173 H LYS 23 H LYS 23 8.199 11.934 -14.868 174 HA LYS 23 HA LYS 23 8.383 12.139 -17.784 175 1HB LYS 23 1HB LYS 23 9.935 13.224 -15.654 176 2HB LYS 23 2HB LYS 23 10.943 12.057 -16.486 177 1HG LYS 23 1HG LYS 23 10.280 13.147 -18.688 178 2HG LYS 23 2HG LYS 23 9.428 14.376 -17.773 179 1HD LYS 23 1HD LYS 23 11.715 14.698 -16.504 180 2HD LYS 23 2HD LYS 23 12.414 13.827 -17.855 181 1HE LYS 23 1HE LYS 23 10.854 15.645 -19.208 182 2HE LYS 23 2HE LYS 23 11.239 16.575 -17.772 183 1HZ LYS 23 1HZ LYS 23 13.338 15.156 -19.227 184 2HZ LYS 23 2HZ LYS 23 12.846 16.638 -19.704 185 3HZ LYS 23 3HZ LYS 23 13.483 16.429 -18.214 186 H SER 24 H SER 24 8.277 9.923 -15.154 187 HA SER 24 HA SER 24 9.136 7.853 -16.982 188 1HB SER 24 1HB SER 24 10.135 6.849 -14.636 189 2HB SER 24 2HB SER 24 11.102 7.673 -15.843 190 HG SER 24 HG SER 24 10.412 9.716 -14.592 191 H THR 25 H THR 25 6.568 8.112 -16.832 192 HA THR 25 HA THR 25 5.516 6.753 -14.471 193 HB THR 25 HB THR 25 3.713 7.588 -16.698 194 HG1 THR 25 HG1 THR 25 5.481 9.341 -15.143 195 1HG2 THR 25 1HG2 THR 25 3.834 7.635 -13.722 196 2HG2 THR 25 2HG2 THR 25 3.142 9.108 -14.443 197 3HG2 THR 25 3HG2 THR 25 2.417 7.521 -14.791 198 H TRP 26 H TRP 26 5.939 4.602 -14.527 199 HA TRP 26 HA TRP 26 5.133 3.228 -17.000 200 1HB TRP 26 1HB TRP 26 7.514 2.992 -15.308 201 2HB TRP 26 2HB TRP 26 6.729 1.458 -15.627 202 HD1 TRP 26 HD1 TRP 26 7.661 0.326 -17.779 203 HE1 TRP 26 HE1 TRP 26 8.744 1.024 -20.081 204 HE3 TRP 26 HE3 TRP 26 7.342 5.342 -17.007 205 HZ2 TRP 26 HZ2 TRP 26 9.335 3.540 -21.294 206 HZ3 TRP 26 HZ3 TRP 26 8.194 6.849 -18.800 207 HH2 TRP 26 HH2 TRP 26 9.165 6.023 -20.886 208 H LEU 27 H LEU 27 3.807 1.346 -16.736 209 HA LEU 27 HA LEU 27 3.092 0.511 -14.086 210 1HB LEU 27 1HB LEU 27 0.923 1.226 -13.970 211 2HB LEU 27 2HB LEU 27 1.743 2.627 -14.632 212 HG LEU 27 HG LEU 27 -0.111 2.573 -15.964 213 1HD1 LEU 27 3HD1 LEU 27 2.124 2.153 -17.267 214 2HD1 LEU 27 1HD1 LEU 27 1.364 0.592 -17.661 215 3HD1 LEU 27 2HD1 LEU 27 0.559 2.114 -18.114 216 1HD2 LEU 27 3HD2 LEU 27 -0.626 0.164 -14.867 217 2HD2 LEU 27 1HD2 LEU 27 -1.549 0.853 -16.225 218 3HD2 LEU 27 2HD2 LEU 27 -0.257 -0.330 -16.537 219 H ILE 28 H ILE 28 1.133 -1.188 -14.398 220 HA ILE 28 HA ILE 28 1.809 -2.703 -16.823 221 HB ILE 28 HB ILE 28 0.855 -4.217 -14.497 222 1HG1 ILE 28 1HG1 ILE 28 2.373 -2.345 -13.556 223 2HG1 ILE 28 2HG1 ILE 28 2.674 -4.005 -13.079 224 1HG2 ILE 28 1HG2 ILE 28 2.999 -4.495 -16.601 225 2HG2 ILE 28 2HG2 ILE 28 2.885 -5.607 -15.215 226 3HG2 ILE 28 3HG2 ILE 28 1.528 -5.467 -16.360 227 1HD1 ILE 28 3HD1 ILE 28 4.088 -3.145 -15.560 228 2HD1 ILE 28 1HD1 ILE 28 4.605 -2.331 -14.064 229 3HD1 ILE 28 2HD1 ILE 28 4.683 -4.105 -14.185 230 H LEU 29 H LEU 29 0.122 -3.470 -18.062 231 HA LEU 29 HA LEU 29 -2.561 -3.155 -16.941 232 1HB LEU 29 1HB LEU 29 -1.519 -1.293 -18.625 233 2HB LEU 29 2HB LEU 29 -2.244 -2.399 -19.775 234 HG LEU 29 HG LEU 29 -3.532 -0.624 -17.757 235 1HD1 LEU 29 2HD1 LEU 29 -3.364 -0.203 -20.263 236 2HD1 LEU 29 3HD1 LEU 29 -4.555 -1.511 -20.455 237 3HD1 LEU 29 1HD1 LEU 29 -4.977 -0.053 -19.525 238 1HD2 LEU 29 2HD2 LEU 29 -4.552 -3.367 -18.471 239 2HD2 LEU 29 3HD2 LEU 29 -4.439 -2.584 -16.876 240 3HD2 LEU 29 1HD2 LEU 29 -5.662 -2.041 -18.050 241 H HIS 30 H HIS 30 -3.622 -5.053 -17.074 242 HA HIS 30 HA HIS 30 -4.363 -6.963 -17.884 243 1HB HIS 30 1HB HIS 30 -4.331 -5.749 -20.108 244 2HB HIS 30 2HB HIS 30 -2.771 -6.487 -20.414 245 HD1 HIS 30 HD1 HIS 30 -2.777 -9.229 -20.433 246 HD2 HIS 30 HD2 HIS 30 -6.497 -7.316 -20.766 247 HE1 HIS 30 HE1 HIS 30 -4.399 -10.973 -21.347 248 HE2 HIS 30 HE2 HIS 30 -6.680 -9.757 -21.477 249 H TYR 31 H TYR 31 -0.888 -6.216 -18.321 250 HA TYR 31 HA TYR 31 0.173 -7.971 -16.651 251 1HB TYR 31 1HB TYR 31 -0.695 -9.985 -17.527 252 2HB TYR 31 2HB TYR 31 -0.991 -9.271 -19.099 253 HD1 TYR 31 HD1 TYR 31 2.073 -9.956 -17.025 254 HD2 TYR 31 HD2 TYR 31 0.123 -10.355 -20.811 255 HE1 TYR 31 HE1 TYR 31 4.114 -11.153 -17.958 256 HE2 TYR 31 HE2 TYR 31 2.169 -11.550 -21.731 257 HH TYR 31 HH TYR 31 5.086 -11.908 -19.758 258 H LYS 32 H LYS 32 0.214 -6.169 -19.579 259 HA LYS 32 HA LYS 32 3.081 -6.573 -19.932 260 1HB LYS 32 1HB LYS 32 1.101 -5.038 -21.641 261 2HB LYS 32 2HB LYS 32 2.779 -5.356 -22.031 262 1HG LYS 32 1HG LYS 32 2.057 -7.257 -23.045 263 2HG LYS 32 2HG LYS 32 1.806 -7.907 -21.437 264 1HD LYS 32 1HD LYS 32 -0.489 -7.643 -21.527 265 2HD LYS 32 2HD LYS 32 -0.393 -6.154 -22.446 266 1HE LYS 32 1HE LYS 32 0.560 -7.882 -24.331 267 2HE LYS 32 2HE LYS 32 -0.449 -8.992 -23.426 268 1HZ LYS 32 1HZ LYS 32 -2.133 -7.048 -23.629 269 2HZ LYS 32 2HZ LYS 32 -1.229 -6.635 -24.924 270 3HZ LYS 32 3HZ LYS 32 -1.938 -8.104 -24.859 271 H VAL 33 H VAL 33 4.337 -4.442 -20.429 272 HA VAL 33 HA VAL 33 3.606 -2.564 -18.298 273 HB VAL 33 HB VAL 33 6.276 -3.104 -19.614 274 1HG1 VAL 33 3HG1 VAL 33 5.933 -0.786 -18.708 275 2HG1 VAL 33 1HG1 VAL 33 5.676 -1.510 -17.102 276 3HG1 VAL 33 2HG1 VAL 33 7.245 -1.697 -17.923 277 1HG2 VAL 33 3HG2 VAL 33 5.486 -5.025 -18.289 278 2HG2 VAL 33 1HG2 VAL 33 6.888 -4.233 -17.529 279 3HG2 VAL 33 2HG2 VAL 33 5.253 -3.958 -16.884 280 H TYR 34 H TYR 34 2.875 -0.582 -18.869 281 HA TYR 34 HA TYR 34 3.427 0.272 -21.632 282 1HB TYR 34 1HB TYR 34 1.163 1.003 -19.672 283 2HB TYR 34 2HB TYR 34 1.218 1.441 -21.368 284 HD1 TYR 34 HD1 TYR 34 1.435 -1.695 -19.302 285 HD2 TYR 34 HD2 TYR 34 -0.146 0.221 -22.785 286 HE1 TYR 34 HE1 TYR 34 0.157 -3.811 -19.897 287 HE2 TYR 34 HE2 TYR 34 -1.417 -1.900 -23.368 288 HH TYR 34 HH TYR 34 -1.684 -4.513 -21.134 289 H ASP 35 H ASP 35 3.857 2.529 -22.005 290 HA ASP 35 HA ASP 35 5.167 3.702 -19.732 291 1HB ASP 35 1HB ASP 35 6.573 4.128 -21.487 292 2HB ASP 35 2HB ASP 35 5.305 3.907 -22.676 293 H LEU 36 H LEU 36 3.511 4.624 -18.410 294 HA LEU 36 HA LEU 36 1.223 5.862 -19.415 295 1HB LEU 36 1HB LEU 36 2.658 5.887 -16.779 296 2HB LEU 36 2HB LEU 36 1.268 6.921 -17.047 297 HG LEU 36 HG LEU 36 1.420 3.952 -16.791 298 1HD1 LEU 36 3HD1 LEU 36 0.183 6.182 -15.434 299 2HD1 LEU 36 1HD1 LEU 36 -1.036 4.967 -15.888 300 3HD1 LEU 36 2HD1 LEU 36 0.374 4.492 -14.909 301 1HD2 LEU 36 1HD2 LEU 36 -0.558 5.394 -18.559 302 2HD2 LEU 36 2HD2 LEU 36 0.458 3.984 -18.942 303 3HD2 LEU 36 3HD2 LEU 36 -0.906 3.817 -17.811 304 H THR 37 H THR 37 4.531 7.037 -18.771 305 HA THR 37 HA THR 37 4.178 9.731 -18.699 306 HB THR 37 HB THR 37 6.274 7.793 -19.493 307 HG1 THR 37 HG1 THR 37 7.357 9.799 -18.339 308 1HG2 THR 37 1HG2 THR 37 6.352 10.682 -20.516 309 2HG2 THR 37 2HG2 THR 37 7.750 9.584 -20.451 310 3HG2 THR 37 3HG2 THR 37 6.386 9.222 -21.533 311 H LYS 38 H LYS 38 3.542 7.570 -21.404 312 HA LYS 38 HA LYS 38 3.442 9.783 -23.263 313 1HB LYS 38 1HB LYS 38 3.697 6.903 -23.412 314 2HB LYS 38 2HB LYS 38 2.385 7.447 -24.438 315 1HG LYS 38 1HG LYS 38 4.516 7.480 -25.685 316 2HG LYS 38 2HG LYS 38 3.883 9.104 -25.523 317 1HD LYS 38 1HD LYS 38 5.448 8.800 -23.213 318 2HD LYS 38 2HD LYS 38 6.373 7.949 -24.435 319 1HE LYS 38 1HE LYS 38 7.036 9.905 -25.380 320 2HE LYS 38 2HE LYS 38 5.375 10.425 -25.580 321 1HZ LYS 38 2HZ LYS 38 6.659 10.580 -22.961 322 2HZ LYS 38 3HZ LYS 38 6.889 11.757 -24.069 323 3HZ LYS 38 1HZ LYS 38 5.384 11.432 -23.527 324 H PHE 39 H PHE 39 1.230 7.520 -21.537 325 HA PHE 39 HA PHE 39 -1.113 8.371 -22.765 326 1HB PHE 39 1HB PHE 39 -0.406 7.319 -19.964 327 2HB PHE 39 2HB PHE 39 -2.065 7.479 -20.505 328 HD1 PHE 39 HD1 PHE 39 -2.987 5.964 -22.162 329 HD2 PHE 39 HD2 PHE 39 1.047 5.596 -20.899 330 HE1 PHE 39 HE1 PHE 39 -2.872 3.678 -23.193 331 HE2 PHE 39 HE2 PHE 39 1.163 3.310 -21.930 332 HZ PHE 39 HZ PHE 39 -0.799 2.379 -23.064 333 H LEU 40 H LEU 40 0.964 9.940 -20.416 334 HA LEU 40 HA LEU 40 -0.804 11.460 -18.984 335 1HB LEU 40 1HB LEU 40 2.016 11.519 -19.691 336 2HB LEU 40 2HB LEU 40 1.357 13.133 -19.504 337 HG LEU 40 HG LEU 40 0.356 12.041 -17.266 338 1HD1 LEU 40 1HD1 LEU 40 1.558 9.847 -18.004 339 2HD1 LEU 40 2HD1 LEU 40 3.012 10.645 -17.357 340 3HD1 LEU 40 3HD1 LEU 40 1.608 10.359 -16.301 341 1HD2 LEU 40 1HD2 LEU 40 2.393 13.841 -17.933 342 2HD2 LEU 40 2HD2 LEU 40 1.617 13.620 -16.347 343 3HD2 LEU 40 3HD2 LEU 40 3.113 12.737 -16.737 344 H GLU 41 H GLU 41 -0.135 11.505 -22.406 345 HA GLU 41 HA GLU 41 -1.225 14.168 -22.652 346 1HB GLU 41 1HB GLU 41 0.576 12.523 -24.194 347 2HB GLU 41 2HB GLU 41 -0.789 12.937 -25.212 348 1HG GLU 41 1HG GLU 41 -0.469 15.378 -24.407 349 2HG GLU 41 2HG GLU 41 1.059 14.853 -23.727 350 H GLU 42 H GLU 42 -2.135 10.785 -22.880 351 HA GLU 42 HA GLU 42 -4.439 11.367 -24.484 352 1HB GLU 42 1HB GLU 42 -2.941 9.160 -24.354 353 2HB GLU 42 2HB GLU 42 -4.034 8.743 -23.050 354 1HG GLU 42 1HG GLU 42 -5.197 7.848 -24.865 355 2HG GLU 42 2HG GLU 42 -5.928 9.438 -24.782 356 H HIS 43 H HIS 43 -5.925 9.183 -22.807 357 HA HIS 43 HA HIS 43 -7.480 9.141 -21.261 358 1HB HIS 43 1HB HIS 43 -5.147 10.137 -19.959 359 2HB HIS 43 2HB HIS 43 -6.520 11.000 -19.297 360 HD1 HIS 43 HD1 HIS 43 -7.553 9.864 -17.337 361 HD2 HIS 43 HD2 HIS 43 -5.782 7.127 -19.977 362 HE1 HIS 43 HE1 HIS 43 -7.848 7.560 -16.282 363 HE2 HIS 43 HE2 HIS 43 -6.789 5.914 -17.975 364 HA PRO 44 HA PRO 44 -10.083 12.559 -21.768 365 1HB PRO 44 1HB PRO 44 -11.788 12.427 -19.635 366 2HB PRO 44 2HB PRO 44 -11.939 11.400 -21.048 367 1HG PRO 44 1HG PRO 44 -10.932 10.710 -18.356 368 2HG PRO 44 2HG PRO 44 -11.485 9.640 -19.629 369 1HD PRO 44 1HD PRO 44 -8.764 10.159 -18.884 370 2HD PRO 44 2HD PRO 44 -9.314 9.181 -20.229 371 H GLY 45 H GLY 45 -7.731 13.546 -21.093 372 1HA GLY 45 2HA GLY 45 -8.476 15.968 -19.788 373 2HA GLY 45 1HA GLY 45 -6.883 15.501 -20.348 374 H GLY 46 H GLY 46 -5.993 13.429 -18.969 375 1HA GLY 46 2HA GLY 46 -6.630 12.889 -16.402 376 2HA GLY 46 1HA GLY 46 -5.802 14.427 -16.265 377 H GLU 47 H GLU 47 -3.778 13.964 -15.473 378 HA GLU 47 HA GLU 47 -2.270 12.003 -17.016 379 1HB GLU 47 1HB GLU 47 -1.489 14.586 -15.648 380 2HB GLU 47 2HB GLU 47 -0.276 13.342 -15.892 381 1HG GLU 47 1HG GLU 47 -0.646 13.355 -18.310 382 2HG GLU 47 2HG GLU 47 -2.042 14.403 -18.146 383 H GLU 48 H GLU 48 -2.715 13.388 -13.688 384 HA GLU 48 HA GLU 48 -1.174 11.602 -12.341 385 1HB GLU 48 1HB GLU 48 -2.934 13.671 -11.692 386 2HB GLU 48 2HB GLU 48 -3.672 12.281 -10.920 387 1HG GLU 48 1HG GLU 48 -1.859 11.928 -9.486 388 2HG GLU 48 2HG GLU 48 -0.696 12.606 -10.608 389 H VAL 49 H VAL 49 -4.614 11.304 -13.390 390 HA VAL 49 HA VAL 49 -5.417 9.091 -12.087 391 HB VAL 49 HB VAL 49 -6.752 10.394 -13.659 392 1HG1 VAL 49 1HG1 VAL 49 -4.714 10.239 -15.405 393 2HG1 VAL 49 2HG1 VAL 49 -5.727 8.917 -16.036 394 3HG1 VAL 49 3HG1 VAL 49 -6.392 10.562 -15.903 395 1HG2 VAL 49 2HG2 VAL 49 -7.410 8.069 -12.989 396 2HG2 VAL 49 3HG2 VAL 49 -8.073 8.590 -14.556 397 3HG2 VAL 49 1HG2 VAL 49 -6.684 7.479 -14.503 398 H LEU 50 H LEU 50 -2.821 9.352 -14.451 399 HA LEU 50 HA LEU 50 -2.670 6.433 -14.596 400 1HB LEU 50 1HB LEU 50 -1.225 8.512 -16.243 401 2HB LEU 50 2HB LEU 50 -1.198 6.776 -16.487 402 HG LEU 50 HG LEU 50 -3.906 7.362 -16.577 403 1HD1 LEU 50 2HD1 LEU 50 -2.689 9.832 -16.837 404 2HD1 LEU 50 3HD1 LEU 50 -2.995 9.340 -18.520 405 3HD1 LEU 50 1HD1 LEU 50 -4.337 9.406 -17.354 406 1HD2 LEU 50 3HD2 LEU 50 -1.787 6.859 -18.643 407 2HD2 LEU 50 1HD2 LEU 50 -3.111 5.808 -18.087 408 3HD2 LEU 50 2HD2 LEU 50 -3.462 7.197 -19.143 409 H ARG 51 H ARG 51 -1.017 9.397 -13.495 410 HA ARG 51 HA ARG 51 1.406 8.134 -12.935 411 1HB ARG 51 1HB ARG 51 0.702 10.708 -13.073 412 2HB ARG 51 2HB ARG 51 0.415 10.525 -11.354 413 1HG ARG 51 1HG ARG 51 2.930 9.286 -11.817 414 2HG ARG 51 2HG ARG 51 2.957 10.746 -12.786 415 1HD ARG 51 1HD ARG 51 1.923 10.950 -9.955 416 2HD ARG 51 2HD ARG 51 3.649 10.770 -10.185 417 HE ARG 51 HE ARG 51 2.575 12.811 -11.947 418 1HH1 ARG 51 2HH1 ARG 51 3.048 15.005 -11.515 419 2HH1 ARG 51 1HH1 ARG 51 3.627 15.473 -9.951 420 1HH2 ARG 51 2HH2 ARG 51 3.566 12.211 -8.623 421 2HH2 ARG 51 1HH2 ARG 51 3.925 13.874 -8.295 422 H GLU 52 H GLU 52 -1.637 8.673 -11.109 423 HA GLU 52 HA GLU 52 -0.615 7.952 -8.618 424 1HB GLU 52 1HB GLU 52 -2.959 7.809 -7.927 425 2HB GLU 52 2HB GLU 52 -2.735 9.208 -8.958 426 1HG GLU 52 1HG GLU 52 -3.746 8.114 -10.851 427 2HG GLU 52 2HG GLU 52 -3.630 6.534 -10.102 428 H GLN 53 H GLN 53 -1.129 6.119 -11.459 429 HA GLN 53 HA GLN 53 -1.449 3.690 -9.884 430 1HB GLN 53 1HB GLN 53 -2.093 2.646 -12.108 431 2HB GLN 53 2HB GLN 53 -3.205 3.862 -11.516 432 1HG GLN 53 1HG GLN 53 -2.102 5.574 -12.980 433 2HG GLN 53 2HG GLN 53 -1.005 4.347 -13.581 434 1HE2 GLN 53 1HE2 GLN 53 -4.235 5.598 -13.586 435 2HE2 GLN 53 2HE2 GLN 53 -4.877 4.657 -14.890 436 H ALA 54 H ALA 54 0.725 5.593 -11.830 437 HA ALA 54 HA ALA 54 2.340 3.588 -12.898 438 1HB ALA 54 3HB ALA 54 2.215 6.233 -13.184 439 2HB ALA 54 2HB ALA 54 3.723 5.341 -13.498 440 3HB ALA 54 1HB ALA 54 3.498 6.193 -11.951 441 H GLY 55 H GLY 55 4.128 2.451 -12.116 442 1HA GLY 55 2HA GLY 55 4.621 2.738 -9.211 443 2HA GLY 55 1HA GLY 55 5.879 2.412 -10.386 444 H GLY 56 H GLY 56 2.942 0.893 -11.319 445 1HA GLY 56 2HA GLY 56 2.921 -1.400 -9.701 446 2HA GLY 56 1HA GLY 56 3.973 -1.703 -11.068 447 H ASP 57 H ASP 57 1.716 -3.253 -10.865 448 HA ASP 57 HA ASP 57 0.505 -2.809 -13.302 449 1HB ASP 57 1HB ASP 57 0.244 -5.016 -12.730 450 2HB ASP 57 2HB ASP 57 0.215 -4.666 -11.013 451 H ALA 58 H ALA 58 -1.320 -1.577 -13.867 452 HA ALA 58 HA ALA 58 -2.776 -0.340 -11.638 453 1HB ALA 58 3HB ALA 58 -1.492 1.139 -13.221 454 2HB ALA 58 1HB ALA 58 -2.550 0.571 -14.533 455 3HB ALA 58 2HB ALA 58 -3.236 1.481 -13.166 456 H THR 59 H THR 59 -2.928 -2.585 -14.303 457 HA THR 59 HA THR 59 -5.476 -2.438 -15.212 458 HB THR 59 HB THR 59 -3.364 -4.183 -15.422 459 HG1 THR 59 HG1 THR 59 -5.374 -5.497 -16.433 460 1HG2 THR 59 1HG2 THR 59 -5.640 -5.628 -13.965 461 2HG2 THR 59 2HG2 THR 59 -4.331 -6.443 -14.854 462 3HG2 THR 59 3HG2 THR 59 -3.959 -5.489 -13.398 463 H GLU 60 H GLU 60 -4.435 -4.068 -12.149 464 HA GLU 60 HA GLU 60 -6.752 -5.108 -11.366 465 1HB GLU 60 1HB GLU 60 -5.995 -4.461 -8.973 466 2HB GLU 60 2HB GLU 60 -4.894 -5.421 -9.940 467 1HG GLU 60 1HG GLU 60 -3.312 -3.829 -9.614 468 2HG GLU 60 2HG GLU 60 -4.262 -2.747 -10.613 469 H ASN 61 H ASN 61 -5.831 -1.631 -11.238 470 HA ASN 61 HA ASN 61 -8.329 -0.988 -9.990 471 1HB ASN 61 1HB ASN 61 -5.774 0.224 -10.133 472 2HB ASN 61 2HB ASN 61 -6.789 1.274 -11.103 473 1HD2 ASN 61 1HD2 ASN 61 -5.516 1.229 -8.278 474 2HD2 ASN 61 2HD2 ASN 61 -6.766 1.821 -7.236 475 H PHE 62 H PHE 62 -6.539 -0.400 -13.100 476 HA PHE 62 HA PHE 62 -8.423 1.124 -14.387 477 1HB PHE 62 1HB PHE 62 -6.551 0.914 -15.745 478 2HB PHE 62 2HB PHE 62 -6.073 -0.569 -14.943 479 HD1 PHE 62 HD1 PHE 62 -7.465 -2.702 -15.631 480 HD2 PHE 62 HD2 PHE 62 -7.170 0.825 -17.972 481 HE1 PHE 62 HE1 PHE 62 -8.085 -4.011 -17.681 482 HE2 PHE 62 HE2 PHE 62 -7.790 -0.483 -20.022 483 HZ PHE 62 HZ PHE 62 -8.240 -2.885 -19.853 484 H GLU 63 H GLU 63 -8.660 -2.177 -13.368 485 HA GLU 63 HA GLU 63 -10.498 -2.886 -15.449 486 1HB GLU 63 1HB GLU 63 -9.019 -4.267 -13.300 487 2HB GLU 63 2HB GLU 63 -10.660 -4.857 -13.475 488 1HG GLU 63 1HG GLU 63 -8.914 -4.471 -15.928 489 2HG GLU 63 2HG GLU 63 -8.743 -5.914 -14.948 490 H ASP 64 H ASP 64 -10.519 -1.671 -12.114 491 HA ASP 64 HA ASP 64 -13.188 -2.367 -11.596 492 1HB ASP 64 1HB ASP 64 -11.061 -1.385 -10.125 493 2HB ASP 64 2HB ASP 64 -12.064 0.047 -10.253 494 H VAL 65 H VAL 65 -11.470 0.328 -13.168 495 HA VAL 65 HA VAL 65 -13.770 2.064 -13.129 496 HB VAL 65 HB VAL 65 -12.031 3.450 -13.136 497 1HG1 VAL 65 1HG1 VAL 65 -10.395 1.204 -14.347 498 2HG1 VAL 65 2HG1 VAL 65 -9.734 2.813 -13.974 499 3HG1 VAL 65 3HG1 VAL 65 -10.375 1.790 -12.667 500 1HG2 VAL 65 1HG2 VAL 65 -11.893 2.651 -16.063 501 2HG2 VAL 65 2HG2 VAL 65 -12.952 3.891 -15.349 502 3HG2 VAL 65 3HG2 VAL 65 -11.187 4.126 -15.362 503 H GLY 66 H GLY 66 -13.226 -0.777 -14.649 504 1HA GLY 66 2HA GLY 66 -15.209 -0.798 -16.417 505 2HA GLY 66 1HA GLY 66 -13.705 -1.653 -16.695 506 H HIS 67 H HIS 67 -11.909 -0.467 -17.836 507 HA HIS 67 HA HIS 67 -12.531 1.964 -19.148 508 1HB HIS 67 1HB HIS 67 -10.275 -0.023 -19.278 509 2HB HIS 67 2HB HIS 67 -10.384 1.264 -20.461 510 HD1 HIS 67 HD1 HIS 67 -9.696 0.633 -16.814 511 HD2 HIS 67 HD2 HIS 67 -9.854 3.870 -19.479 512 HE1 HIS 67 HE1 HIS 67 -8.642 2.613 -15.598 513 HE2 HIS 67 HE2 HIS 67 -8.719 4.557 -17.304 514 H SER 68 H SER 68 -11.939 1.880 -21.745 515 HA SER 68 HA SER 68 -13.962 0.058 -22.763 516 1HB SER 68 1HB SER 68 -14.487 1.650 -24.375 517 2HB SER 68 2HB SER 68 -13.973 2.687 -23.058 518 HG SER 68 HG SER 68 -12.856 3.439 -24.836 519 H THR 69 H THR 69 -13.531 -1.230 -24.667 520 HA THR 69 HA THR 69 -11.082 -2.436 -24.809 521 HB THR 69 HB THR 69 -11.967 -3.079 -27.176 522 HG1 THR 69 HG1 THR 69 -13.556 -1.673 -27.798 523 1HG2 THR 69 3HG2 THR 69 -12.619 -4.272 -24.949 524 2HG2 THR 69 1HG2 THR 69 -14.099 -3.283 -25.001 525 3HG2 THR 69 2HG2 THR 69 -13.754 -4.439 -26.309 526 H ASP 70 H ASP 70 -12.112 0.620 -26.297 527 HA ASP 70 HA ASP 70 -10.038 0.747 -28.144 528 1HB ASP 70 1HB ASP 70 -12.074 2.188 -28.189 529 2HB ASP 70 2HB ASP 70 -11.556 2.981 -26.714 530 H ALA 71 H ALA 71 -10.499 2.065 -24.787 531 HA ALA 71 HA ALA 71 -8.116 3.447 -24.572 532 1HB ALA 71 1HB ALA 71 -8.524 2.730 -22.033 533 2HB ALA 71 2HB ALA 71 -9.599 3.884 -22.857 534 3HB ALA 71 3HB ALA 71 -10.083 2.178 -22.692 535 H ARG 72 H ARG 72 -8.894 -0.017 -23.864 536 HA ARG 72 HA ARG 72 -6.398 -0.638 -22.874 537 1HB ARG 72 1HB ARG 72 -8.248 -2.513 -24.427 538 2HB ARG 72 2HB ARG 72 -7.057 -2.983 -23.229 539 1HG ARG 72 1HG ARG 72 -8.317 -1.727 -21.474 540 2HG ARG 72 2HG ARG 72 -9.503 -1.237 -22.668 541 1HD ARG 72 1HD ARG 72 -10.308 -3.479 -22.963 542 2HD ARG 72 2HD ARG 72 -8.888 -4.183 -22.216 543 HE ARG 72 HE ARG 72 -10.453 -2.408 -20.456 544 1HH1 ARG 72 2HH1 ARG 72 -11.404 -3.359 -18.607 545 2HH1 ARG 72 1HH1 ARG 72 -11.482 -5.083 -18.465 546 1HH2 ARG 72 2HH2 ARG 72 -9.898 -5.707 -21.548 547 2HH2 ARG 72 1HH2 ARG 72 -10.619 -6.428 -20.147 548 H GLU 73 H GLU 73 -7.799 -0.915 -26.209 549 HA GLU 73 HA GLU 73 -5.552 -2.068 -27.348 550 1HB GLU 73 1HB GLU 73 -8.020 -0.692 -28.319 551 2HB GLU 73 2HB GLU 73 -6.688 -0.749 -29.456 552 1HG GLU 73 1HG GLU 73 -6.545 -3.204 -29.234 553 2HG GLU 73 2HG GLU 73 -7.773 -3.196 -27.984 554 H LEU 74 H LEU 74 -6.498 1.342 -26.763 555 HA LEU 74 HA LEU 74 -4.541 2.528 -28.362 556 1HB LEU 74 1HB LEU 74 -5.644 4.324 -27.746 557 2HB LEU 74 2HB LEU 74 -6.626 3.329 -26.688 558 HG LEU 74 HG LEU 74 -4.488 3.732 -25.073 559 1HD1 LEU 74 2HD1 LEU 74 -3.756 5.340 -27.111 560 2HD1 LEU 74 3HD1 LEU 74 -4.708 6.488 -26.140 561 3HD1 LEU 74 1HD1 LEU 74 -3.327 5.637 -25.409 562 1HD2 LEU 74 2HD2 LEU 74 -7.143 4.967 -25.410 563 2HD2 LEU 74 3HD2 LEU 74 -6.382 4.232 -23.980 564 3HD2 LEU 74 1HD2 LEU 74 -5.993 5.910 -24.430 565 H SER 75 H SER 75 -4.490 1.190 -25.042 566 HA SER 75 HA SER 75 -2.043 2.300 -24.334 567 1HB SER 75 1HB SER 75 -2.533 -0.338 -23.147 568 2HB SER 75 2HB SER 75 -2.444 1.230 -22.370 569 HG SER 75 HG SER 75 -4.580 0.057 -22.303 570 H LYS 76 H LYS 76 -2.965 -0.415 -26.386 571 HA LYS 76 HA LYS 76 -0.611 -1.913 -26.206 572 1HB LYS 76 1HB LYS 76 -1.645 -3.254 -27.681 573 2HB LYS 76 2HB LYS 76 -3.039 -2.235 -27.390 574 1HG LYS 76 1HG LYS 76 -2.347 -0.774 -29.320 575 2HG LYS 76 2HG LYS 76 -0.993 -1.842 -29.626 576 1HD LYS 76 1HD LYS 76 -2.421 -3.670 -30.242 577 2HD LYS 76 2HD LYS 76 -3.835 -2.921 -29.528 578 1HE LYS 76 1HE LYS 76 -3.407 -0.992 -31.283 579 2HE LYS 76 2HE LYS 76 -2.408 -2.176 -32.105 580 1HZ LYS 76 1HZ LYS 76 -4.674 -3.525 -31.518 581 2HZ LYS 76 2HZ LYS 76 -5.228 -2.045 -31.927 582 3HZ LYS 76 3HZ LYS 76 -4.295 -2.884 -32.971 583 H THR 77 H THR 77 -1.139 1.265 -27.328 584 HA THR 77 HA THR 77 0.992 1.132 -29.312 585 HB THR 77 HB THR 77 0.189 3.306 -29.950 586 HG1 THR 77 HG1 THR 77 -0.774 4.608 -28.362 587 1HG2 THR 77 1HG2 THR 77 -2.165 1.710 -28.812 588 2HG2 THR 77 2HG2 THR 77 -2.353 3.158 -29.828 589 3HG2 THR 77 3HG2 THR 77 -1.586 1.698 -30.495 590 H PHE 78 H PHE 78 0.607 1.601 -25.931 591 HA PHE 78 HA PHE 78 3.091 3.149 -25.845 592 1HB PHE 78 1HB PHE 78 0.971 2.474 -23.718 593 2HB PHE 78 2HB PHE 78 2.313 3.573 -23.474 594 HD1 PHE 78 HD1 PHE 78 -0.468 3.126 -25.938 595 HD2 PHE 78 HD2 PHE 78 1.809 5.811 -23.566 596 HE1 PHE 78 HE1 PHE 78 -1.883 5.036 -26.741 597 HE2 PHE 78 HE2 PHE 78 0.391 7.720 -24.370 598 HZ PHE 78 HZ PHE 78 -1.437 7.310 -25.948 599 H ILE 79 H ILE 79 1.885 -0.027 -25.652 600 HA ILE 79 HA ILE 79 3.249 -1.068 -23.472 601 HB ILE 79 HB ILE 79 2.045 -2.100 -25.974 602 1HG1 ILE 79 1HG1 ILE 79 1.671 -2.337 -23.028 603 2HG1 ILE 79 2HG1 ILE 79 0.490 -2.091 -24.298 604 1HG2 ILE 79 1HG2 ILE 79 4.199 -3.261 -25.974 605 2HG2 ILE 79 2HG2 ILE 79 3.922 -3.789 -24.297 606 3HG2 ILE 79 3HG2 ILE 79 2.861 -4.373 -25.600 607 1HD1 ILE 79 3HD1 ILE 79 0.785 -4.461 -25.036 608 2HD1 ILE 79 1HD1 ILE 79 1.954 -4.707 -23.717 609 3HD1 ILE 79 2HD1 ILE 79 0.251 -4.350 -23.341 610 H ILE 80 H ILE 80 5.376 -1.086 -23.012 611 HA ILE 80 HA ILE 80 7.217 -0.975 -25.295 612 HB ILE 80 HB ILE 80 8.630 -0.352 -22.986 613 1HG1 ILE 80 1HG1 ILE 80 5.842 0.806 -22.868 614 2HG1 ILE 80 2HG1 ILE 80 6.712 -0.060 -21.617 615 1HG2 ILE 80 2HG2 ILE 80 8.725 0.589 -25.346 616 2HG2 ILE 80 3HG2 ILE 80 7.399 1.671 -24.861 617 3HG2 ILE 80 1HG2 ILE 80 8.962 1.744 -24.013 618 1HD1 ILE 80 3HD1 ILE 80 8.468 1.862 -21.751 619 2HD1 ILE 80 1HD1 ILE 80 7.216 2.750 -22.652 620 3HD1 ILE 80 2HD1 ILE 80 6.903 2.222 -20.982 621 H GLY 81 H GLY 81 6.112 -2.797 -22.489 622 1HA GLY 81 2HA GLY 81 8.240 -4.374 -21.837 623 2HA GLY 81 1HA GLY 81 7.639 -5.080 -23.324 624 H GLU 82 H GLU 82 7.601 -6.293 -20.646 625 HA GLU 82 HA GLU 82 4.868 -6.098 -19.809 626 1HB GLU 82 1HB GLU 82 5.741 -8.891 -20.505 627 2HB GLU 82 2HB GLU 82 4.124 -8.219 -20.429 628 1HG GLU 82 1HG GLU 82 4.570 -6.900 -22.508 629 2HG GLU 82 2HG GLU 82 6.192 -7.561 -22.582 630 H LEU 83 H LEU 83 4.476 -7.440 -17.797 631 HA LEU 83 HA LEU 83 6.672 -7.167 -16.056 632 1HB LEU 83 1HB LEU 83 4.212 -6.959 -15.534 633 2HB LEU 83 2HB LEU 83 4.123 -8.710 -15.587 634 HG LEU 83 HG LEU 83 4.646 -8.762 -13.435 635 1HD1 LEU 83 1HD1 LEU 83 7.258 -7.502 -14.308 636 2HD1 LEU 83 2HD1 LEU 83 6.957 -8.198 -12.697 637 3HD1 LEU 83 3HD1 LEU 83 6.892 -9.236 -14.141 638 1HD2 LEU 83 1HD2 LEU 83 4.246 -6.003 -13.846 639 2HD2 LEU 83 2HD2 LEU 83 4.145 -6.913 -12.319 640 3HD2 LEU 83 3HD2 LEU 83 5.679 -6.152 -12.802 641 H HIS 84 H HIS 84 8.399 -8.471 -15.817 642 HA HIS 84 HA HIS 84 8.565 -10.901 -17.199 643 1HB HIS 84 1HB HIS 84 10.300 -9.134 -15.846 644 2HB HIS 84 2HB HIS 84 10.487 -10.683 -15.045 645 HD1 HIS 84 HD1 HIS 84 12.972 -10.196 -16.303 646 HD2 HIS 84 HD2 HIS 84 9.747 -11.493 -18.651 647 HE1 HIS 84 HE1 HIS 84 13.982 -11.141 -18.447 648 HE2 HIS 84 HE2 HIS 84 11.958 -11.973 -19.826 649 HA PRO 85 HA PRO 85 7.423 -13.833 -14.198 650 1HB PRO 85 1HB PRO 85 9.519 -15.537 -13.783 651 2HB PRO 85 2HB PRO 85 8.488 -15.613 -15.198 652 1HG PRO 85 1HG PRO 85 11.247 -14.578 -14.970 653 2HG PRO 85 2HG PRO 85 10.368 -15.053 -16.410 654 1HD PRO 85 1HD PRO 85 10.879 -12.375 -15.517 655 2HD PRO 85 2HD PRO 85 9.903 -12.853 -16.893 656 H ASP 86 H ASP 86 9.114 -11.389 -13.259 657 HA ASP 86 HA ASP 86 10.027 -12.344 -10.754 658 1HB ASP 86 1HB ASP 86 11.228 -10.447 -11.182 659 2HB ASP 86 2HB ASP 86 10.013 -9.822 -12.282 660 H ASP 87 H ASP 87 7.057 -11.018 -12.153 661 HA ASP 87 HA ASP 87 5.641 -11.589 -9.784 662 1HB ASP 87 1HB ASP 87 6.271 -8.731 -10.529 663 2HB ASP 87 2HB ASP 87 4.675 -9.077 -9.890 664 H ARG 88 H ARG 88 5.087 -12.852 -11.993 665 HA ARG 88 HA ARG 88 3.599 -11.364 -13.872 666 1HB ARG 88 1HB ARG 88 3.899 -14.373 -13.411 667 2HB ARG 88 2HB ARG 88 3.039 -13.689 -14.778 668 1HG ARG 88 1HG ARG 88 5.884 -12.809 -14.205 669 2HG ARG 88 2HG ARG 88 5.597 -14.333 -15.019 670 1HD ARG 88 1HD ARG 88 4.534 -11.622 -15.954 671 2HD ARG 88 2HD ARG 88 5.923 -12.446 -16.634 672 HE ARG 88 HE ARG 88 4.481 -14.076 -17.623 673 1HH1 ARG 88 2HH1 ARG 88 2.451 -14.656 -18.499 674 2HH1 ARG 88 1HH1 ARG 88 1.015 -13.851 -17.961 675 1HH2 ARG 88 2HH2 ARG 88 2.689 -11.746 -15.687 676 2HH2 ARG 88 1HH2 ARG 88 1.151 -12.186 -16.351 677 H SER 89 H SER 89 2.496 -14.368 -12.165 678 HA SER 89 HA SER 89 -0.163 -13.659 -12.293 679 1HB SER 89 1HB SER 89 0.729 -15.975 -11.951 680 2HB SER 89 2HB SER 89 1.200 -15.544 -10.319 681 HG SER 89 HG SER 89 -1.070 -16.600 -10.916 682 H LYS 90 H LYS 90 2.336 -12.344 -10.383 683 HA LYS 90 HA LYS 90 0.880 -11.893 -7.988 684 1HB LYS 90 1HB LYS 90 3.542 -11.442 -9.012 685 2HB LYS 90 2HB LYS 90 2.947 -9.979 -8.254 686 1HG LYS 90 1HG LYS 90 3.094 -10.884 -6.171 687 2HG LYS 90 2HG LYS 90 2.226 -12.328 -6.658 688 1HD LYS 90 1HD LYS 90 4.266 -13.353 -7.529 689 2HD LYS 90 2HD LYS 90 5.166 -11.864 -7.329 690 1HE LYS 90 1HE LYS 90 5.752 -12.562 -5.253 691 2HE LYS 90 2HE LYS 90 4.079 -12.377 -4.765 692 1HZ LYS 90 3HZ LYS 90 4.728 -14.789 -6.205 693 2HZ LYS 90 1HZ LYS 90 5.331 -14.670 -4.693 694 3HZ LYS 90 2HZ LYS 90 3.721 -14.571 -4.939 695 H ILE 91 H ILE 91 0.750 -10.581 -11.178 696 HA ILE 91 HA ILE 91 -0.932 -8.422 -10.148 697 HB ILE 91 HB ILE 91 0.098 -6.762 -11.310 698 1HG1 ILE 91 1HG1 ILE 91 1.342 -8.833 -13.142 699 2HG1 ILE 91 2HG1 ILE 91 -0.034 -7.812 -13.513 700 1HG2 ILE 91 3HG2 ILE 91 1.632 -7.967 -9.580 701 2HG2 ILE 91 1HG2 ILE 91 2.586 -8.416 -11.014 702 3HG2 ILE 91 2HG2 ILE 91 2.305 -6.700 -10.633 703 1HD1 ILE 91 1HD1 ILE 91 2.247 -6.228 -12.552 704 2HD1 ILE 91 2HD1 ILE 91 2.660 -7.195 -13.988 705 3HD1 ILE 91 3HD1 ILE 91 1.297 -6.051 -14.046 706 H THR 92 H THR 92 0.142 -10.442 -12.944 707 HA THR 92 HA THR 92 -1.704 -9.904 -14.808 708 HB THR 92 HB THR 92 0.155 -11.885 -14.330 709 HG1 THR 92 HG1 THR 92 -2.113 -11.696 -16.182 710 1HG2 THR 92 3HG2 THR 92 -1.849 -13.152 -13.135 711 2HG2 THR 92 1HG2 THR 92 -2.452 -13.375 -14.795 712 3HG2 THR 92 2HG2 THR 92 -0.864 -14.030 -14.330 713 H LYS 93 H LYS 93 -2.341 -11.380 -11.650 714 HA LYS 93 HA LYS 93 -5.137 -11.711 -12.471 715 1HB LYS 93 1HB LYS 93 -3.737 -13.673 -11.540 716 2HB LYS 93 2HB LYS 93 -3.878 -12.875 -9.986 717 1HG LYS 93 1HG LYS 93 -6.466 -12.768 -10.580 718 2HG LYS 93 2HG LYS 93 -6.076 -14.044 -11.716 719 1HD LYS 93 1HD LYS 93 -4.996 -15.327 -9.794 720 2HD LYS 93 2HD LYS 93 -5.589 -14.093 -8.701 721 1HE LYS 93 1HE LYS 93 -7.894 -14.622 -9.181 722 2HE LYS 93 2HE LYS 93 -7.465 -15.574 -10.588 723 1HZ LYS 93 1HZ LYS 93 -6.229 -17.025 -8.977 724 2HZ LYS 93 2HZ LYS 93 -7.013 -16.244 -7.776 725 3HZ LYS 93 3HZ LYS 93 -7.859 -17.084 -8.892 726 HA PRO 94 HA PRO 94 -5.729 -8.113 -10.059 727 1HB PRO 94 1HB PRO 94 -8.326 -7.660 -10.775 728 2HB PRO 94 2HB PRO 94 -6.959 -7.082 -11.709 729 1HG PRO 94 1HG PRO 94 -8.778 -9.340 -12.290 730 2HG PRO 94 2HG PRO 94 -7.700 -8.489 -13.379 731 1HD PRO 94 1HD PRO 94 -7.273 -11.075 -12.217 732 2HD PRO 94 2HD PRO 94 -6.146 -10.174 -13.212 733 H SER 95 H SER 95 -7.802 -7.292 -8.638 734 HA SER 95 HA SER 95 -8.438 -9.667 -7.072 735 1HB SER 95 1HB SER 95 -6.678 -7.935 -6.129 736 2HB SER 95 2HB SER 95 -8.084 -6.947 -5.791 737 HG SER 95 HG SER 95 -8.498 -8.163 -4.088 738 H GLU 96 H GLU 96 -10.503 -9.486 -5.821 739 HA GLU 96 HA GLU 96 -12.295 -7.612 -7.160 740 1HB GLU 96 1HB GLU 96 -14.100 -9.252 -6.726 741 2HB GLU 96 2HB GLU 96 -12.806 -9.965 -7.670 742 1HG GLU 96 1HG GLU 96 -12.200 -11.422 -5.997 743 2HG GLU 96 2HG GLU 96 -12.440 -10.235 -4.731 744 H SER 97 H SER 97 -14.377 -7.194 -5.696 745 HA SER 97 HA SER 97 -13.772 -7.212 -2.905 746 1HB SER 97 1HB SER 97 -13.270 -4.842 -4.533 747 2HB SER 97 2HB SER 97 -14.520 -4.506 -3.352 748 HG SER 97 HG SER 97 -12.917 -5.630 -1.788 749 H ILE 98 H ILE 98 -15.706 -6.235 -1.635 750 HA ILE 98 HA ILE 98 -18.149 -6.543 -3.239 751 HB ILE 98 HB ILE 98 -17.662 -8.498 -1.807 752 1HG1 ILE 98 1HG1 ILE 98 -20.087 -7.196 -0.632 753 2HG1 ILE 98 2HG1 ILE 98 -20.023 -7.410 -2.371 754 1HG2 ILE 98 2HG2 ILE 98 -16.772 -6.714 0.048 755 2HG2 ILE 98 3HG2 ILE 98 -18.387 -7.102 0.686 756 3HG2 ILE 98 1HG2 ILE 98 -17.212 -8.404 0.389 757 1HD1 ILE 98 3HD1 ILE 98 -19.420 -9.861 -1.960 758 2HD1 ILE 98 1HD1 ILE 98 -19.779 -9.575 -0.238 759 3HD1 ILE 98 2HD1 ILE 98 -21.062 -9.389 -1.459 760 H ILE 99 H ILE 99 -20.095 -5.471 -2.089 761 HA ILE 99 HA ILE 99 -19.154 -3.005 -0.799 762 HB ILE 99 HB ILE 99 -19.744 -2.582 -3.117 763 1HG1 ILE 99 1HG1 ILE 99 -22.077 -1.313 -1.887 764 2HG1 ILE 99 2HG1 ILE 99 -20.648 -1.208 -0.874 765 1HG2 ILE 99 2HG2 ILE 99 -21.319 -4.483 -3.389 766 2HG2 ILE 99 3HG2 ILE 99 -22.523 -3.579 -2.440 767 3HG2 ILE 99 1HG2 ILE 99 -21.955 -2.937 -3.999 768 1HD1 ILE 99 3HD1 ILE 99 -20.219 -0.662 -3.786 769 2HD1 ILE 99 1HD1 ILE 99 -21.167 0.544 -2.886 770 3HD1 ILE 99 2HD1 ILE 99 -19.515 0.142 -2.362 771 H THR 100 H THR 100 -22.002 -5.182 -1.369 772 HA THR 100 HA THR 100 -23.674 -5.791 -0.034 773 HB THR 100 HB THR 100 -21.449 -5.312 2.006 774 HG1 THR 100 HG1 THR 100 -22.770 -7.517 0.597 775 1HG2 THR 100 2HG2 THR 100 -24.221 -6.562 2.340 776 2HG2 THR 100 3HG2 THR 100 -22.855 -6.944 3.416 777 3HG2 THR 100 1HG2 THR 100 -23.488 -5.282 3.337 778 H THR 101 H THR 101 -25.449 -5.041 1.240 779 HA THR 101 HA THR 101 -25.352 -2.440 2.409 780 HB THR 101 HB THR 101 -25.392 -1.901 -0.064 781 HG1 THR 101 HG1 THR 101 -27.929 -1.504 1.352 782 1HG2 THR 101 3HG2 THR 101 -27.873 -3.634 0.128 783 2HG2 THR 101 1HG2 THR 101 -27.878 -2.232 -0.968 784 3HG2 THR 101 2HG2 THR 101 -26.683 -3.532 -1.189 785 H ILE 102 H ILE 102 -27.100 -2.045 3.763 786 HA ILE 102 HA ILE 102 -29.488 -3.525 3.590 787 HB ILE 102 HB ILE 102 -27.948 -5.337 4.285 788 1HG1 ILE 102 1HG1 ILE 102 -29.688 -5.034 6.652 789 2HG1 ILE 102 2HG1 ILE 102 -30.500 -4.796 5.118 790 1HG2 ILE 102 3HG2 ILE 102 -27.484 -3.487 6.616 791 2HG2 ILE 102 1HG2 ILE 102 -27.297 -5.249 6.778 792 3HG2 ILE 102 2HG2 ILE 102 -26.302 -4.353 5.606 793 1HD1 ILE 102 3HD1 ILE 102 -28.683 -7.186 5.642 794 2HD1 ILE 102 1HD1 ILE 102 -30.431 -7.210 5.975 795 3HD1 ILE 102 2HD1 ILE 102 -29.844 -6.973 4.312 796 H ASP 103 H ASP 103 -31.063 -2.457 4.739 797 HA ASP 103 HA ASP 103 -30.690 -1.192 7.120 798 1HB ASP 103 1HB ASP 103 -29.363 0.278 5.185 799 2HB ASP 103 2HB ASP 103 -30.940 1.040 5.156 800 H SER 104 H SER 104 -32.666 0.289 7.605 801 HA SER 104 HA SER 104 -34.735 0.085 5.607 802 1HB SER 104 1HB SER 104 -34.926 -1.979 7.019 803 2HB SER 104 2HB SER 104 -35.100 -0.975 8.445 804 HG SER 104 HG SER 104 -37.115 -1.829 7.224 No H/Q in entry = 804 Start of MODEL 41 1 H ALA 1 H ALA 1 26.461 3.604 -33.910 2 HA ALA 1 HA ALA 1 28.688 4.702 -34.772 3 1HB ALA 1 2HB ALA 1 29.772 5.628 -33.024 4 2HB ALA 1 1HB ALA 1 30.130 3.965 -32.498 5 3HB ALA 1 3HB ALA 1 28.713 4.820 -31.843 6 H GLU 2 H GLU 2 27.817 2.106 -32.389 7 HA GLU 2 HA GLU 2 29.021 0.241 -34.283 8 1HB GLU 2 1HB GLU 2 29.556 0.631 -31.491 9 2HB GLU 2 2HB GLU 2 28.766 -0.925 -31.651 10 1HG GLU 2 1HG GLU 2 30.410 -1.579 -33.422 11 2HG GLU 2 2HG GLU 2 31.199 -0.022 -33.265 12 H GLU 3 H GLU 3 26.608 0.395 -31.557 13 HA GLU 3 HA GLU 3 24.514 -0.440 -33.183 14 1HB GLU 3 1HB GLU 3 26.140 -2.590 -32.605 15 2HB GLU 3 2HB GLU 3 25.000 -2.672 -31.276 16 1HG GLU 3 1HG GLU 3 23.098 -2.733 -32.821 17 2HG GLU 3 2HG GLU 3 24.142 -2.422 -34.194 18 H SER 4 H SER 4 22.564 -1.218 -31.649 19 HA SER 4 HA SER 4 22.699 -0.635 -28.955 20 1HB SER 4 1HB SER 4 22.621 1.723 -30.576 21 2HB SER 4 2HB SER 4 21.032 1.561 -29.853 22 HG SER 4 HG SER 4 21.918 2.377 -28.090 23 H SER 5 H SER 5 20.289 -0.255 -28.078 24 HA SER 5 HA SER 5 18.218 -0.962 -29.833 25 1HB SER 5 1HB SER 5 19.614 -3.138 -28.347 26 2HB SER 5 2HB SER 5 17.866 -3.165 -28.227 27 HG SER 5 HG SER 5 17.665 -3.588 -30.364 28 H LYS 6 H LYS 6 16.183 -1.698 -28.299 29 HA LYS 6 HA LYS 6 16.242 -0.915 -25.619 30 1HB LYS 6 1HB LYS 6 16.548 1.319 -27.026 31 2HB LYS 6 2HB LYS 6 14.808 1.192 -27.189 32 1HG LYS 6 1HG LYS 6 14.434 1.381 -24.863 33 2HG LYS 6 2HG LYS 6 16.045 0.828 -24.452 34 1HD LYS 6 1HD LYS 6 17.047 2.926 -25.108 35 2HD LYS 6 2HD LYS 6 15.592 3.452 -25.931 36 1HE LYS 6 1HE LYS 6 14.874 2.847 -23.203 37 2HE LYS 6 2HE LYS 6 16.322 3.834 -23.160 38 1HZ LYS 6 3HZ LYS 6 14.885 5.081 -25.007 39 2HZ LYS 6 1HZ LYS 6 13.688 4.523 -24.046 40 3HZ LYS 6 2HZ LYS 6 14.861 5.474 -23.422 41 H ALA 7 H ALA 7 14.965 -2.671 -25.167 42 HA ALA 7 HA ALA 7 12.203 -2.440 -25.850 43 1HB ALA 7 2HB ALA 7 13.062 -3.472 -27.918 44 2HB ALA 7 1HB ALA 7 12.046 -4.617 -27.011 45 3HB ALA 7 3HB ALA 7 13.820 -4.770 -26.963 46 H VAL 8 H VAL 8 11.958 -2.343 -23.572 47 HA VAL 8 HA VAL 8 13.161 -3.876 -21.696 48 HB VAL 8 HB VAL 8 11.829 -2.271 -20.812 49 1HG1 VAL 8 1HG1 VAL 8 10.164 -2.784 -23.170 50 2HG1 VAL 8 2HG1 VAL 8 9.217 -2.391 -21.714 51 3HG1 VAL 8 3HG1 VAL 8 10.471 -1.267 -22.291 52 1HG2 VAL 8 3HG2 VAL 8 11.263 -4.635 -19.879 53 2HG2 VAL 8 1HG2 VAL 8 10.240 -3.253 -19.421 54 3HG2 VAL 8 2HG2 VAL 8 9.692 -4.389 -20.677 55 H LYS 9 H LYS 9 9.937 -4.692 -23.177 56 HA LYS 9 HA LYS 9 9.066 -6.648 -23.751 57 1HB LYS 9 1HB LYS 9 11.869 -7.711 -23.310 58 2HB LYS 9 2HB LYS 9 10.538 -8.691 -23.893 59 1HG LYS 9 1HG LYS 9 10.697 -6.183 -25.398 60 2HG LYS 9 2HG LYS 9 12.237 -7.019 -25.437 61 1HD LYS 9 1HD LYS 9 10.872 -9.156 -26.034 62 2HD LYS 9 2HD LYS 9 9.524 -8.076 -26.326 63 1HE LYS 9 1HE LYS 9 11.070 -6.759 -27.913 64 2HE LYS 9 2HE LYS 9 12.226 -8.065 -27.746 65 1HZ LYS 9 3HZ LYS 9 9.453 -8.432 -28.649 66 2HZ LYS 9 1HZ LYS 9 10.743 -8.320 -29.645 67 3HZ LYS 9 2HZ LYS 9 10.617 -9.576 -28.608 68 H TYR 10 H TYR 10 11.377 -7.237 -21.003 69 HA TYR 10 HA TYR 10 9.039 -8.011 -19.409 70 1HB TYR 10 1HB TYR 10 11.310 -9.535 -18.586 71 2HB TYR 10 2HB TYR 10 9.931 -10.158 -19.468 72 HD1 TYR 10 HD1 TYR 10 10.016 -10.357 -21.952 73 HD2 TYR 10 HD2 TYR 10 13.434 -9.173 -19.670 74 HE1 TYR 10 HE1 TYR 10 11.525 -10.875 -23.931 75 HE2 TYR 10 HE2 TYR 10 14.933 -9.695 -21.656 76 HH TYR 10 HH TYR 10 15.039 -10.384 -23.694 77 H TYR 11 H TYR 11 8.936 -6.856 -17.551 78 HA TYR 11 HA TYR 11 11.483 -5.908 -16.428 79 1HB TYR 11 1HB TYR 11 9.097 -4.517 -17.495 80 2HB TYR 11 2HB TYR 11 9.315 -4.120 -15.803 81 HD1 TYR 11 HD1 TYR 11 9.810 -1.785 -16.239 82 HD2 TYR 11 HD2 TYR 11 12.193 -4.879 -17.984 83 HE1 TYR 11 HE1 TYR 11 11.581 -0.075 -16.871 84 HE2 TYR 11 HE2 TYR 11 13.956 -3.159 -18.611 85 HH TYR 11 HH TYR 11 13.347 0.151 -18.540 86 H THR 12 H THR 12 11.078 -5.080 -14.067 87 HA THR 12 HA THR 12 9.333 -7.068 -12.771 88 HB THR 12 HB THR 12 10.964 -7.049 -10.967 89 HG1 THR 12 HG1 THR 12 12.311 -4.973 -12.525 90 1HG2 THR 12 1HG2 THR 12 12.320 -6.904 -13.704 91 2HG2 THR 12 2HG2 THR 12 13.212 -7.289 -12.214 92 3HG2 THR 12 3HG2 THR 12 11.911 -8.367 -12.776 93 H LEU 13 H LEU 13 8.059 -6.461 -10.962 94 HA LEU 13 HA LEU 13 6.675 -4.122 -11.268 95 1HB LEU 13 1HB LEU 13 6.923 -6.230 -9.239 96 2HB LEU 13 2HB LEU 13 6.381 -4.691 -8.602 97 HG LEU 13 HG LEU 13 5.065 -6.397 -10.720 98 1HD1 LEU 13 1HD1 LEU 13 4.800 -6.343 -7.966 99 2HD1 LEU 13 2HD1 LEU 13 3.431 -5.358 -8.538 100 3HD1 LEU 13 3HD1 LEU 13 3.638 -7.024 -9.129 101 1HD2 LEU 13 2HD2 LEU 13 4.629 -3.486 -10.091 102 2HD2 LEU 13 3HD2 LEU 13 4.774 -4.293 -11.670 103 3HD2 LEU 13 1HD2 LEU 13 3.302 -4.508 -10.692 104 H GLU 14 H GLU 14 9.653 -4.783 -9.385 105 HA GLU 14 HA GLU 14 9.641 -2.385 -7.987 106 1HB GLU 14 1HB GLU 14 11.356 -4.665 -8.301 107 2HB GLU 14 2HB GLU 14 12.348 -3.239 -8.532 108 1HG GLU 14 1HG GLU 14 12.110 -2.545 -6.347 109 2HG GLU 14 2HG GLU 14 10.433 -3.049 -6.257 110 H GLU 15 H GLU 15 11.021 -3.337 -11.183 111 HA GLU 15 HA GLU 15 12.398 -0.979 -11.620 112 1HB GLU 15 1HB GLU 15 12.792 -3.008 -12.940 113 2HB GLU 15 2HB GLU 15 11.163 -2.958 -13.582 114 1HG GLU 15 1HG GLU 15 12.809 -2.043 -15.210 115 2HG GLU 15 2HG GLU 15 11.630 -0.833 -14.743 116 H ILE 16 H ILE 16 9.006 -1.961 -12.344 117 HA ILE 16 HA ILE 16 8.412 0.440 -13.742 118 HB ILE 16 HB ILE 16 6.463 -1.467 -12.459 119 1HG1 ILE 16 1HG1 ILE 16 7.139 -1.962 -15.272 120 2HG1 ILE 16 2HG1 ILE 16 8.478 -2.260 -14.182 121 1HG2 ILE 16 3HG2 ILE 16 6.216 0.854 -14.126 122 2HG2 ILE 16 1HG2 ILE 16 5.641 -0.576 -15.016 123 3HG2 ILE 16 2HG2 ILE 16 4.944 -0.176 -13.426 124 1HD1 ILE 16 1HD1 ILE 16 6.071 -3.317 -12.974 125 2HD1 ILE 16 2HD1 ILE 16 6.199 -3.920 -14.643 126 3HD1 ILE 16 3HD1 ILE 16 7.529 -4.194 -13.495 127 H GLN 17 H GLN 17 8.362 -0.640 -10.354 128 HA GLN 17 HA GLN 17 6.655 1.239 -9.335 129 1HB GLN 17 1HB GLN 17 8.070 -0.799 -8.277 130 2HB GLN 17 2HB GLN 17 9.109 0.512 -7.759 131 1HG GLN 17 1HG GLN 17 6.282 1.165 -7.304 132 2HG GLN 17 2HG GLN 17 6.715 -0.340 -6.518 133 1HE2 GLN 17 1HE2 GLN 17 6.236 2.625 -5.758 134 2HE2 GLN 17 2HE2 GLN 17 7.506 2.990 -4.637 135 H LYS 18 H LYS 18 10.151 1.463 -10.155 136 HA LYS 18 HA LYS 18 10.496 4.023 -9.001 137 1HB LYS 18 1HB LYS 18 12.130 2.634 -11.147 138 2HB LYS 18 2HB LYS 18 12.638 4.000 -10.174 139 1HG LYS 18 1HG LYS 18 12.262 2.566 -8.098 140 2HG LYS 18 2HG LYS 18 11.958 1.203 -9.156 141 1HD LYS 18 1HD LYS 18 14.197 0.827 -9.155 142 2HD LYS 18 2HD LYS 18 14.361 2.261 -10.151 143 1HE LYS 18 1HE LYS 18 14.178 3.448 -7.697 144 2HE LYS 18 2HE LYS 18 14.877 1.915 -7.216 145 1HZ LYS 18 3HZ LYS 18 15.968 3.645 -9.326 146 2HZ LYS 18 1HZ LYS 18 16.536 3.568 -7.796 147 3HZ LYS 18 2HZ LYS 18 16.641 2.263 -8.774 148 H HIS 19 H HIS 19 9.206 2.801 -12.056 149 HA HIS 19 HA HIS 19 9.445 5.346 -13.352 150 1HB HIS 19 1HB HIS 19 8.036 2.774 -14.121 151 2HB HIS 19 2HB HIS 19 8.090 4.203 -15.135 152 HD1 HIS 19 HD1 HIS 19 10.754 5.069 -15.579 153 HD2 HIS 19 HD2 HIS 19 10.063 1.035 -14.662 154 HE1 HIS 19 HE1 HIS 19 12.815 3.793 -16.373 155 HE2 HIS 19 HE2 HIS 19 12.356 1.328 -15.733 156 H ASN 20 H ASN 20 8.368 6.627 -11.639 157 HA ASN 20 HA ASN 20 5.489 6.465 -12.013 158 1HB ASN 20 1HB ASN 20 5.837 5.583 -9.780 159 2HB ASN 20 2HB ASN 20 7.043 6.799 -9.406 160 1HD2 ASN 20 1HD2 ASN 20 3.686 6.627 -10.595 161 2HD2 ASN 20 2HD2 ASN 20 3.032 7.873 -9.587 162 H ASN 21 H ASN 21 8.100 8.110 -12.853 163 HA ASN 21 HA ASN 21 7.206 10.708 -11.923 164 1HB ASN 21 1HB ASN 21 9.732 9.962 -13.489 165 2HB ASN 21 2HB ASN 21 9.398 11.526 -12.769 166 1HD2 ASN 21 1HD2 ASN 21 11.653 9.923 -12.250 167 2HD2 ASN 21 2HD2 ASN 21 11.652 9.454 -10.582 168 H SER 22 H SER 22 6.668 12.378 -13.499 169 HA SER 22 HA SER 22 5.384 11.491 -15.755 170 1HB SER 22 1HB SER 22 5.318 13.921 -16.397 171 2HB SER 22 2HB SER 22 4.827 13.624 -14.740 172 HG SER 22 HG SER 22 7.364 14.647 -15.677 173 H LYS 23 H LYS 23 8.722 11.653 -15.163 174 HA LYS 23 HA LYS 23 9.499 12.408 -17.832 175 1HB LYS 23 1HB LYS 23 10.778 12.046 -15.234 176 2HB LYS 23 2HB LYS 23 11.703 11.300 -16.522 177 1HG LYS 23 1HG LYS 23 11.501 13.467 -17.839 178 2HG LYS 23 2HG LYS 23 10.724 14.193 -16.446 179 1HD LYS 23 1HD LYS 23 12.693 14.031 -15.103 180 2HD LYS 23 2HD LYS 23 13.425 12.836 -16.155 181 1HE LYS 23 1HE LYS 23 13.089 14.930 -17.921 182 2HE LYS 23 2HE LYS 23 13.351 15.807 -16.425 183 1HZ LYS 23 2HZ LYS 23 15.112 13.602 -17.182 184 2HZ LYS 23 3HZ LYS 23 15.357 15.106 -17.768 185 3HZ LYS 23 1HZ LYS 23 15.412 14.838 -16.158 186 H SER 24 H SER 24 8.990 9.451 -15.885 187 HA SER 24 HA SER 24 9.061 7.977 -18.357 188 1HB SER 24 1HB SER 24 10.902 7.443 -16.004 189 2HB SER 24 2HB SER 24 10.438 6.148 -17.090 190 HG SER 24 HG SER 24 11.851 6.870 -18.519 191 H THR 25 H THR 25 6.710 8.494 -17.342 192 HA THR 25 HA THR 25 5.935 6.878 -15.131 193 HB THR 25 HB THR 25 4.100 8.029 -17.272 194 HG1 THR 25 HG1 THR 25 5.339 9.395 -14.999 195 1HG2 THR 25 3HG2 THR 25 4.018 7.863 -14.212 196 2HG2 THR 25 1HG2 THR 25 2.806 8.700 -15.210 197 3HG2 THR 25 2HG2 THR 25 2.998 6.935 -15.338 198 H TRP 26 H TRP 26 5.843 4.728 -15.090 199 HA TRP 26 HA TRP 26 4.833 3.416 -17.515 200 1HB TRP 26 1HB TRP 26 7.183 2.566 -15.818 201 2HB TRP 26 2HB TRP 26 6.395 1.532 -16.993 202 HD1 TRP 26 HD1 TRP 26 8.994 4.261 -16.766 203 HE1 TRP 26 HE1 TRP 26 10.010 4.883 -19.121 204 HE3 TRP 26 HE3 TRP 26 5.565 1.696 -19.507 205 HZ2 TRP 26 HZ2 TRP 26 9.281 4.245 -21.806 206 HZ3 TRP 26 HZ3 TRP 26 5.789 1.747 -21.990 207 HH2 TRP 26 HH2 TRP 26 7.568 2.965 -23.141 208 H LEU 27 H LEU 27 3.652 1.405 -17.040 209 HA LEU 27 HA LEU 27 3.162 0.746 -14.296 210 1HB LEU 27 1HB LEU 27 0.968 1.399 -14.069 211 2HB LEU 27 2HB LEU 27 1.731 2.791 -14.813 212 HG LEU 27 HG LEU 27 -0.172 2.695 -16.057 213 1HD1 LEU 27 3HD1 LEU 27 1.955 2.213 -17.476 214 2HD1 LEU 27 1HD1 LEU 27 1.216 0.611 -17.714 215 3HD1 LEU 27 2HD1 LEU 27 0.345 2.077 -18.223 216 1HD2 LEU 27 2HD2 LEU 27 -0.384 0.074 -14.969 217 2HD2 LEU 27 3HD2 LEU 27 -1.645 1.071 -15.735 218 3HD2 LEU 27 1HD2 LEU 27 -0.661 -0.034 -16.724 219 H ILE 28 H ILE 28 1.195 -0.989 -14.349 220 HA ILE 28 HA ILE 28 1.820 -2.708 -16.646 221 HB ILE 28 HB ILE 28 0.736 -3.930 -14.197 222 1HG1 ILE 28 1HG1 ILE 28 2.398 -2.039 -13.492 223 2HG1 ILE 28 2HG1 ILE 28 2.508 -3.633 -12.768 224 1HG2 ILE 28 2HG2 ILE 28 2.645 -4.564 -16.390 225 2HG2 ILE 28 3HG2 ILE 28 2.902 -5.363 -14.821 226 3HG2 ILE 28 1HG2 ILE 28 1.347 -5.547 -15.669 227 1HD1 ILE 28 2HD1 ILE 28 4.066 -3.241 -15.295 228 2HD1 ILE 28 3HD1 ILE 28 4.643 -2.356 -13.862 229 3HD1 ILE 28 1HD1 ILE 28 4.502 -4.130 -13.816 230 H LEU 29 H LEU 29 0.165 -3.430 -17.923 231 HA LEU 29 HA LEU 29 -2.550 -2.996 -16.922 232 1HB LEU 29 1HB LEU 29 -1.373 -1.279 -18.691 233 2HB LEU 29 2HB LEU 29 -2.142 -2.420 -19.776 234 HG LEU 29 HG LEU 29 -3.365 -0.472 -17.875 235 1HD1 LEU 29 1HD1 LEU 29 -3.175 -0.026 -20.304 236 2HD1 LEU 29 2HD1 LEU 29 -4.211 -1.438 -20.619 237 3HD1 LEU 29 3HD1 LEU 29 -4.858 -0.043 -19.723 238 1HD2 LEU 29 3HD2 LEU 29 -4.302 -3.251 -18.211 239 2HD2 LEU 29 1HD2 LEU 29 -4.624 -2.071 -16.919 240 3HD2 LEU 29 2HD2 LEU 29 -5.541 -1.993 -18.444 241 H HIS 30 H HIS 30 -3.539 -4.935 -16.882 242 HA HIS 30 HA HIS 30 -4.289 -6.888 -17.568 243 1HB HIS 30 1HB HIS 30 -4.436 -5.802 -19.824 244 2HB HIS 30 2HB HIS 30 -2.843 -6.432 -20.192 245 HD1 HIS 30 HD1 HIS 30 -2.612 -9.058 -20.480 246 HD2 HIS 30 HD2 HIS 30 -6.536 -7.652 -19.998 247 HE1 HIS 30 HE1 HIS 30 -4.150 -10.973 -21.176 248 HE2 HIS 30 HE2 HIS 30 -6.546 -10.069 -20.807 249 H TYR 31 H TYR 31 -0.854 -6.093 -18.106 250 HA TYR 31 HA TYR 31 0.297 -7.792 -16.458 251 1HB TYR 31 1HB TYR 31 -0.641 -9.820 -17.263 252 2HB TYR 31 2HB TYR 31 -0.879 -9.175 -18.874 253 HD1 TYR 31 HD1 TYR 31 1.895 -10.215 -16.572 254 HD2 TYR 31 HD2 TYR 31 0.486 -9.931 -20.602 255 HE1 TYR 31 HE1 TYR 31 3.949 -11.472 -17.386 256 HE2 TYR 31 HE2 TYR 31 2.546 -11.190 -21.403 257 HH TYR 31 HH TYR 31 5.096 -11.406 -20.219 258 H LYS 32 H LYS 32 0.211 -5.990 -19.353 259 HA LYS 32 HA LYS 32 3.072 -6.384 -19.818 260 1HB LYS 32 1HB LYS 32 0.857 -5.194 -21.499 261 2HB LYS 32 2HB LYS 32 2.552 -5.009 -21.905 262 1HG LYS 32 1HG LYS 32 2.617 -7.097 -22.786 263 2HG LYS 32 2HG LYS 32 2.074 -7.792 -21.272 264 1HD LYS 32 1HD LYS 32 -0.023 -8.129 -22.077 265 2HD LYS 32 2HD LYS 32 -0.155 -6.469 -22.618 266 1HE LYS 32 1HE LYS 32 0.119 -7.126 -24.771 267 2HE LYS 32 2HE LYS 32 1.693 -7.794 -24.385 268 1HZ LYS 32 1HZ LYS 32 0.289 -9.721 -23.454 269 2HZ LYS 32 2HZ LYS 32 -0.886 -9.136 -24.427 270 3HZ LYS 32 3HZ LYS 32 0.538 -9.616 -25.065 271 H VAL 33 H VAL 33 4.245 -4.230 -20.446 272 HA VAL 33 HA VAL 33 3.517 -2.288 -18.370 273 HB VAL 33 HB VAL 33 6.185 -2.819 -19.692 274 1HG1 VAL 33 1HG1 VAL 33 5.929 -0.505 -18.910 275 2HG1 VAL 33 2HG1 VAL 33 5.466 -1.097 -17.295 276 3HG1 VAL 33 3HG1 VAL 33 7.108 -1.396 -17.917 277 1HG2 VAL 33 1HG2 VAL 33 4.840 -4.316 -17.691 278 2HG2 VAL 33 2HG2 VAL 33 6.520 -4.485 -18.250 279 3HG2 VAL 33 3HG2 VAL 33 6.142 -3.415 -16.880 280 H TYR 34 H TYR 34 2.782 -0.324 -19.003 281 HA TYR 34 HA TYR 34 3.305 0.428 -21.800 282 1HB TYR 34 1HB TYR 34 0.988 1.189 -19.923 283 2HB TYR 34 2HB TYR 34 1.049 1.482 -21.649 284 HD1 TYR 34 HD1 TYR 34 -0.272 0.106 -22.955 285 HD2 TYR 34 HD2 TYR 34 1.373 -1.463 -19.331 286 HE1 TYR 34 HE1 TYR 34 -1.458 -2.107 -23.364 287 HE2 TYR 34 HE2 TYR 34 0.182 -3.669 -19.753 288 HH TYR 34 HH TYR 34 -2.049 -4.023 -22.467 289 H ASP 35 H ASP 35 3.690 2.671 -22.248 290 HA ASP 35 HA ASP 35 4.957 3.962 -20.035 291 1HB ASP 35 1HB ASP 35 5.130 5.756 -22.104 292 2HB ASP 35 2HB ASP 35 6.276 4.457 -21.837 293 H LEU 36 H LEU 36 3.309 4.815 -18.658 294 HA LEU 36 HA LEU 36 0.932 5.943 -19.611 295 1HB LEU 36 1HB LEU 36 2.412 5.980 -17.003 296 2HB LEU 36 2HB LEU 36 0.994 6.984 -17.228 297 HG LEU 36 HG LEU 36 1.215 4.006 -17.063 298 1HD1 LEU 36 3HD1 LEU 36 0.113 6.124 -15.501 299 2HD1 LEU 36 1HD1 LEU 36 -1.216 5.065 -16.028 300 3HD1 LEU 36 2HD1 LEU 36 0.170 4.381 -15.145 301 1HD2 LEU 36 1HD2 LEU 36 -0.799 5.497 -18.733 302 2HD2 LEU 36 2HD2 LEU 36 0.129 4.029 -19.123 303 3HD2 LEU 36 3HD2 LEU 36 -1.206 3.950 -17.950 304 H THR 37 H THR 37 4.213 7.215 -19.130 305 HA THR 37 HA THR 37 3.565 9.944 -19.118 306 HB THR 37 HB THR 37 5.932 8.175 -19.378 307 HG1 THR 37 HG1 THR 37 5.235 10.853 -18.394 308 1HG2 THR 37 3HG2 THR 37 5.928 10.982 -20.612 309 2HG2 THR 37 1HG2 THR 37 7.389 10.052 -20.202 310 3HG2 THR 37 2HG2 THR 37 6.290 9.467 -21.474 311 H LYS 38 H LYS 38 3.815 7.559 -21.741 312 HA LYS 38 HA LYS 38 3.777 9.623 -23.748 313 1HB LYS 38 1HB LYS 38 4.331 6.779 -23.611 314 2HB LYS 38 2HB LYS 38 3.214 7.124 -24.916 315 1HG LYS 38 1HG LYS 38 5.347 9.136 -24.808 316 2HG LYS 38 2HG LYS 38 6.017 7.522 -24.931 317 1HD LYS 38 1HD LYS 38 4.577 7.056 -26.911 318 2HD LYS 38 2HD LYS 38 3.857 8.648 -26.775 319 1HE LYS 38 1HE LYS 38 5.984 9.741 -27.263 320 2HE LYS 38 2HE LYS 38 6.857 8.228 -27.138 321 1HZ LYS 38 3HZ LYS 38 5.153 7.566 -28.987 322 2HZ LYS 38 1HZ LYS 38 5.157 9.174 -29.273 323 3HZ LYS 38 2HZ LYS 38 6.550 8.328 -29.350 324 H PHE 39 H PHE 39 1.527 8.512 -21.574 325 HA PHE 39 HA PHE 39 -0.632 9.126 -23.454 326 1HB PHE 39 1HB PHE 39 -0.339 6.625 -22.863 327 2HB PHE 39 2HB PHE 39 -0.610 7.049 -21.184 328 HD1 PHE 39 HD1 PHE 39 -2.429 8.562 -24.019 329 HD2 PHE 39 HD2 PHE 39 -2.571 5.756 -20.839 330 HE1 PHE 39 HE1 PHE 39 -4.902 8.310 -24.353 331 HE2 PHE 39 HE2 PHE 39 -5.045 5.504 -21.173 332 HZ PHE 39 HZ PHE 39 -6.182 6.782 -22.926 333 H LEU 40 H LEU 40 1.084 10.256 -20.932 334 HA LEU 40 HA LEU 40 -0.747 10.705 -18.895 335 1HB LEU 40 1HB LEU 40 1.811 11.906 -19.809 336 2HB LEU 40 2HB LEU 40 0.837 12.857 -18.705 337 HG LEU 40 HG LEU 40 1.802 10.032 -18.182 338 1HD1 LEU 40 2HD1 LEU 40 3.527 11.951 -18.279 339 2HD1 LEU 40 3HD1 LEU 40 2.780 12.497 -16.758 340 3HD1 LEU 40 1HD1 LEU 40 3.515 10.880 -16.857 341 1HD2 LEU 40 3HD2 LEU 40 -0.344 11.406 -17.031 342 2HD2 LEU 40 1HD2 LEU 40 0.460 9.942 -16.414 343 3HD2 LEU 40 2HD2 LEU 40 0.984 11.551 -15.856 344 H GLU 41 H GLU 41 0.319 13.152 -21.366 345 HA GLU 41 HA GLU 41 -1.427 15.056 -20.927 346 1HB GLU 41 1HB GLU 41 -0.136 13.987 -23.376 347 2HB GLU 41 2HB GLU 41 -1.541 14.984 -23.693 348 1HG GLU 41 1HG GLU 41 -0.410 16.614 -21.903 349 2HG GLU 41 2HG GLU 41 1.048 15.738 -22.323 350 H GLU 42 H GLU 42 -2.175 12.251 -23.127 351 HA GLU 42 HA GLU 42 -4.776 12.946 -23.600 352 1HB GLU 42 1HB GLU 42 -3.093 10.891 -24.349 353 2HB GLU 42 2HB GLU 42 -4.259 10.028 -23.364 354 1HG GLU 42 1HG GLU 42 -6.064 10.555 -24.776 355 2HG GLU 42 2HG GLU 42 -5.302 12.009 -25.390 356 H HIS 43 H HIS 43 -6.348 10.649 -22.839 357 HA HIS 43 HA HIS 43 -7.491 9.760 -21.172 358 1HB HIS 43 1HB HIS 43 -5.072 9.771 -20.058 359 2HB HIS 43 2HB HIS 43 -5.813 10.962 -19.008 360 HD1 HIS 43 HD1 HIS 43 -7.750 10.153 -17.428 361 HD2 HIS 43 HD2 HIS 43 -5.984 7.121 -19.726 362 HE1 HIS 43 HE1 HIS 43 -8.530 7.944 -16.417 363 HE2 HIS 43 HE2 HIS 43 -7.457 6.119 -17.906 364 HA PRO 44 HA PRO 44 -10.035 13.158 -20.298 365 1HB PRO 44 1HB PRO 44 -12.089 11.880 -19.026 366 2HB PRO 44 2HB PRO 44 -11.931 11.941 -20.770 367 1HG PRO 44 1HG PRO 44 -11.397 9.684 -18.938 368 2HG PRO 44 2HG PRO 44 -11.657 9.654 -20.670 369 1HD PRO 44 1HD PRO 44 -9.145 9.411 -19.308 370 2HD PRO 44 2HD PRO 44 -9.392 9.497 -21.041 371 H GLY 45 H GLY 45 -9.404 10.944 -17.644 372 1HA GLY 45 2HA GLY 45 -9.000 11.335 -15.468 373 2HA GLY 45 1HA GLY 45 -10.102 12.694 -15.575 374 H GLY 46 H GLY 46 -6.982 12.153 -17.336 375 1HA GLY 46 2HA GLY 46 -5.811 14.398 -15.822 376 2HA GLY 46 1HA GLY 46 -5.834 14.425 -17.573 377 H GLU 47 H GLU 47 -3.471 14.390 -15.806 378 HA GLU 47 HA GLU 47 -2.209 12.114 -17.029 379 1HB GLU 47 1HB GLU 47 -1.111 14.516 -15.511 380 2HB GLU 47 2HB GLU 47 -0.095 13.230 -16.133 381 1HG GLU 47 1HG GLU 47 -0.007 14.494 -18.035 382 2HG GLU 47 2HG GLU 47 -1.587 13.816 -18.374 383 H GLU 48 H GLU 48 -2.773 13.532 -13.752 384 HA GLU 48 HA GLU 48 -1.336 11.743 -12.295 385 1HB GLU 48 1HB GLU 48 -3.193 13.808 -11.794 386 2HB GLU 48 2HB GLU 48 -3.875 12.409 -10.988 387 1HG GLU 48 1HG GLU 48 -1.870 12.062 -9.676 388 2HG GLU 48 2HG GLU 48 -0.948 13.187 -10.654 389 H VAL 49 H VAL 49 -4.562 11.394 -13.797 390 HA VAL 49 HA VAL 49 -5.498 9.194 -12.454 391 HB VAL 49 HB VAL 49 -6.697 10.576 -14.121 392 1HG1 VAL 49 3HG1 VAL 49 -4.598 10.178 -15.780 393 2HG1 VAL 49 1HG1 VAL 49 -5.715 8.935 -16.394 394 3HG1 VAL 49 2HG1 VAL 49 -6.224 10.641 -16.339 395 1HG2 VAL 49 1HG2 VAL 49 -7.214 8.064 -13.403 396 2HG2 VAL 49 2HG2 VAL 49 -8.202 8.920 -14.609 397 3HG2 VAL 49 3HG2 VAL 49 -6.946 7.775 -15.139 398 H LEU 50 H LEU 50 -2.797 9.497 -14.698 399 HA LEU 50 HA LEU 50 -2.600 6.573 -14.795 400 1HB LEU 50 1HB LEU 50 -1.287 8.656 -16.544 401 2HB LEU 50 2HB LEU 50 -1.114 6.920 -16.703 402 HG LEU 50 HG LEU 50 -3.915 7.599 -16.745 403 1HD1 LEU 50 1HD1 LEU 50 -2.143 9.470 -18.162 404 2HD1 LEU 50 2HD1 LEU 50 -3.407 8.738 -19.180 405 3HD1 LEU 50 3HD1 LEU 50 -3.856 9.622 -17.702 406 1HD2 LEU 50 2HD2 LEU 50 -2.520 5.607 -17.705 407 2HD2 LEU 50 3HD2 LEU 50 -3.978 6.173 -18.555 408 3HD2 LEU 50 1HD2 LEU 50 -2.366 6.656 -19.134 409 H ARG 51 H ARG 51 -0.970 9.631 -13.899 410 HA ARG 51 HA ARG 51 1.471 8.445 -13.295 411 1HB ARG 51 1HB ARG 51 0.499 11.031 -13.418 412 2HB ARG 51 2HB ARG 51 0.658 10.830 -11.685 413 1HG ARG 51 1HG ARG 51 2.987 9.821 -13.241 414 2HG ARG 51 2HG ARG 51 2.720 11.547 -13.391 415 1HD ARG 51 1HD ARG 51 2.388 11.229 -10.673 416 2HD ARG 51 2HD ARG 51 3.548 9.958 -11.000 417 HE ARG 51 HE ARG 51 5.149 11.634 -11.188 418 1HH1 ARG 51 2HH1 ARG 51 5.995 13.704 -11.656 419 2HH1 ARG 51 1HH1 ARG 51 4.953 14.948 -12.264 420 1HH2 ARG 51 2HH2 ARG 51 2.059 12.941 -12.247 421 2HH2 ARG 51 1HH2 ARG 51 2.699 14.510 -12.601 422 H GLU 52 H GLU 52 -1.529 9.085 -11.413 423 HA GLU 52 HA GLU 52 -0.457 8.479 -8.922 424 1HB GLU 52 1HB GLU 52 -2.784 8.347 -8.175 425 2HB GLU 52 2HB GLU 52 -2.606 9.686 -9.291 426 1HG GLU 52 1HG GLU 52 -4.344 8.788 -10.448 427 2HG GLU 52 2HG GLU 52 -3.215 7.566 -11.001 428 H GLN 53 H GLN 53 -0.967 6.498 -11.653 429 HA GLN 53 HA GLN 53 -1.200 4.148 -9.944 430 1HB GLN 53 1HB GLN 53 -1.950 2.971 -12.050 431 2HB GLN 53 2HB GLN 53 -3.037 4.235 -11.510 432 1HG GLN 53 1HG GLN 53 -2.008 5.825 -13.143 433 2HG GLN 53 2HG GLN 53 -0.908 4.570 -13.677 434 1HE2 GLN 53 1HE2 GLN 53 -4.179 5.739 -13.650 435 2HE2 GLN 53 2HE2 GLN 53 -4.833 4.702 -14.873 436 H ALA 54 H ALA 54 0.810 5.965 -12.155 437 HA ALA 54 HA ALA 54 2.419 3.945 -13.174 438 1HB ALA 54 1HB ALA 54 2.226 6.587 -13.556 439 2HB ALA 54 3HB ALA 54 3.710 5.688 -13.953 440 3HB ALA 54 2HB ALA 54 3.602 6.596 -12.427 441 H GLY 55 H GLY 55 3.917 2.606 -12.277 442 1HA GLY 55 2HA GLY 55 4.889 3.305 -9.570 443 2HA GLY 55 1HA GLY 55 5.849 2.492 -10.791 444 H GLY 56 H GLY 56 3.225 1.006 -11.653 445 1HA GLY 56 2HA GLY 56 2.513 -0.628 -9.420 446 2HA GLY 56 1HA GLY 56 3.696 -1.416 -10.445 447 H ASP 57 H ASP 57 1.392 -2.747 -10.365 448 HA ASP 57 HA ASP 57 0.459 -2.486 -13.022 449 1HB ASP 57 1HB ASP 57 0.476 -4.719 -12.395 450 2HB ASP 57 2HB ASP 57 0.098 -4.364 -10.721 451 H ALA 58 H ALA 58 -1.267 -1.171 -13.632 452 HA ALA 58 HA ALA 58 -3.003 -0.165 -11.515 453 1HB ALA 58 2HB ALA 58 -1.685 1.132 -13.498 454 2HB ALA 58 3HB ALA 58 -3.228 0.809 -14.324 455 3HB ALA 58 1HB ALA 58 -3.210 1.719 -12.794 456 H THR 59 H THR 59 -2.856 -2.507 -14.079 457 HA THR 59 HA THR 59 -5.335 -2.622 -15.137 458 HB THR 59 HB THR 59 -3.129 -4.203 -15.159 459 HG1 THR 59 HG1 THR 59 -5.258 -4.033 -16.487 460 1HG2 THR 59 3HG2 THR 59 -3.975 -5.198 -12.862 461 2HG2 THR 59 1HG2 THR 59 -5.221 -5.988 -13.858 462 3HG2 THR 59 2HG2 THR 59 -3.499 -6.331 -14.152 463 H GLU 60 H GLU 60 -4.408 -3.656 -11.819 464 HA GLU 60 HA GLU 60 -6.729 -4.888 -11.139 465 1HB GLU 60 1HB GLU 60 -4.421 -3.812 -9.795 466 2HB GLU 60 2HB GLU 60 -5.839 -3.331 -8.884 467 1HG GLU 60 1HG GLU 60 -6.270 -6.056 -9.636 468 2HG GLU 60 2HG GLU 60 -4.608 -5.961 -9.088 469 H ASN 61 H ASN 61 -5.943 -1.366 -11.125 470 HA ASN 61 HA ASN 61 -8.508 -0.728 -10.070 471 1HB ASN 61 1HB ASN 61 -6.012 0.583 -10.305 472 2HB ASN 61 2HB ASN 61 -7.053 1.478 -11.395 473 1HD2 ASN 61 1HD2 ASN 61 -6.059 1.049 -8.237 474 2HD2 ASN 61 2HD2 ASN 61 -7.281 1.946 -7.397 475 H PHE 62 H PHE 62 -6.694 -0.369 -13.203 476 HA PHE 62 HA PHE 62 -8.656 0.905 -14.654 477 1HB PHE 62 1HB PHE 62 -6.704 0.728 -15.910 478 2HB PHE 62 2HB PHE 62 -6.187 -0.691 -15.023 479 HD1 PHE 62 HD1 PHE 62 -7.443 -2.919 -15.644 480 HD2 PHE 62 HD2 PHE 62 -7.276 0.507 -18.143 481 HE1 PHE 62 HE1 PHE 62 -7.949 -4.350 -17.642 482 HE2 PHE 62 HE2 PHE 62 -7.782 -0.924 -20.141 483 HZ PHE 62 HZ PHE 62 -8.112 -3.337 -19.867 484 H GLU 63 H GLU 63 -8.706 -2.265 -13.299 485 HA GLU 63 HA GLU 63 -10.351 -3.373 -15.354 486 1HB GLU 63 1HB GLU 63 -9.008 -4.316 -12.891 487 2HB GLU 63 2HB GLU 63 -10.573 -5.060 -13.154 488 1HG GLU 63 1HG GLU 63 -8.854 -4.866 -15.587 489 2HG GLU 63 2HG GLU 63 -8.232 -5.915 -14.329 490 H ASP 64 H ASP 64 -10.717 -1.732 -12.220 491 HA ASP 64 HA ASP 64 -13.419 -2.493 -11.905 492 1HB ASP 64 1HB ASP 64 -12.405 -1.903 -9.877 493 2HB ASP 64 2HB ASP 64 -11.500 -0.582 -10.590 494 H VAL 65 H VAL 65 -11.656 0.583 -12.764 495 HA VAL 65 HA VAL 65 -13.832 2.185 -13.233 496 HB VAL 65 HB VAL 65 -11.960 3.411 -13.304 497 1HG1 VAL 65 1HG1 VAL 65 -10.646 0.945 -14.432 498 2HG1 VAL 65 2HG1 VAL 65 -9.812 2.517 -14.487 499 3HG1 VAL 65 3HG1 VAL 65 -10.301 1.824 -12.922 500 1HG2 VAL 65 3HG2 VAL 65 -12.145 2.586 -16.220 501 2HG2 VAL 65 1HG2 VAL 65 -12.975 3.950 -15.432 502 3HG2 VAL 65 2HG2 VAL 65 -11.204 3.971 -15.616 503 H GLY 66 H GLY 66 -12.762 -0.637 -14.967 504 1HA GLY 66 2HA GLY 66 -15.012 -0.782 -16.585 505 2HA GLY 66 1HA GLY 66 -13.511 -1.653 -16.825 506 H HIS 67 H HIS 67 -11.778 -0.672 -18.127 507 HA HIS 67 HA HIS 67 -12.372 1.762 -19.503 508 1HB HIS 67 1HB HIS 67 -10.103 -0.222 -19.569 509 2HB HIS 67 2HB HIS 67 -10.211 1.070 -20.748 510 HD1 HIS 67 HD1 HIS 67 -9.430 0.396 -17.147 511 HD2 HIS 67 HD2 HIS 67 -9.811 3.701 -19.702 512 HE1 HIS 67 HE1 HIS 67 -8.423 2.381 -15.901 513 HE2 HIS 67 HE2 HIS 67 -8.636 4.372 -17.542 514 H SER 68 H SER 68 -11.766 1.556 -22.086 515 HA SER 68 HA SER 68 -13.731 -0.373 -23.025 516 1HB SER 68 1HB SER 68 -14.314 1.131 -24.718 517 2HB SER 68 2HB SER 68 -13.916 2.221 -23.407 518 HG SER 68 HG SER 68 -12.900 2.891 -25.383 519 H THR 69 H THR 69 -13.274 -1.523 -25.085 520 HA THR 69 HA THR 69 -10.801 -2.727 -25.153 521 HB THR 69 HB THR 69 -11.625 -3.312 -27.566 522 HG1 THR 69 HG1 THR 69 -14.004 -2.582 -27.615 523 1HG2 THR 69 3HG2 THR 69 -13.153 -3.782 -24.995 524 2HG2 THR 69 1HG2 THR 69 -13.906 -4.272 -26.532 525 3HG2 THR 69 2HG2 THR 69 -12.340 -4.965 -26.048 526 H ASP 70 H ASP 70 -11.836 0.351 -26.589 527 HA ASP 70 HA ASP 70 -9.722 0.543 -28.386 528 1HB ASP 70 1HB ASP 70 -11.772 1.955 -28.467 529 2HB ASP 70 2HB ASP 70 -11.324 2.716 -26.953 530 H ALA 71 H ALA 71 -10.287 1.769 -25.012 531 HA ALA 71 HA ALA 71 -7.975 3.218 -24.683 532 1HB ALA 71 1HB ALA 71 -8.843 1.635 -22.339 533 2HB ALA 71 3HB ALA 71 -10.155 2.516 -23.160 534 3HB ALA 71 2HB ALA 71 -8.734 3.399 -22.553 535 H ARG 72 H ARG 72 -8.570 -0.320 -24.219 536 HA ARG 72 HA ARG 72 -6.012 -0.833 -23.266 537 1HB ARG 72 1HB ARG 72 -7.836 -2.758 -24.793 538 2HB ARG 72 2HB ARG 72 -6.571 -3.200 -23.665 539 1HG ARG 72 1HG ARG 72 -7.826 -1.967 -21.842 540 2HG ARG 72 2HG ARG 72 -9.118 -1.657 -22.984 541 1HD ARG 72 1HD ARG 72 -9.600 -3.659 -21.571 542 2HD ARG 72 2HD ARG 72 -9.514 -4.078 -23.271 543 HE ARG 72 HE ARG 72 -7.574 -4.827 -21.175 544 1HH1 ARG 72 2HH1 ARG 72 -5.994 -6.379 -21.743 545 2HH1 ARG 72 1HH1 ARG 72 -5.763 -6.813 -23.403 546 1HH2 ARG 72 2HH2 ARG 72 -8.255 -4.643 -24.622 547 2HH2 ARG 72 1HH2 ARG 72 -7.059 -5.818 -25.053 548 H GLU 73 H GLU 73 -7.462 -0.682 -26.542 549 HA GLU 73 HA GLU 73 -5.305 -1.891 -27.850 550 1HB GLU 73 1HB GLU 73 -7.693 -1.549 -28.718 551 2HB GLU 73 2HB GLU 73 -7.262 0.120 -29.033 552 1HG GLU 73 1HG GLU 73 -6.399 -0.529 -31.026 553 2HG GLU 73 2HG GLU 73 -5.145 -1.395 -30.159 554 H LEU 74 H LEU 74 -6.153 1.513 -27.036 555 HA LEU 74 HA LEU 74 -4.115 2.708 -28.531 556 1HB LEU 74 1HB LEU 74 -5.135 4.533 -27.850 557 2HB LEU 74 2HB LEU 74 -6.240 3.515 -26.950 558 HG LEU 74 HG LEU 74 -4.220 3.695 -25.150 559 1HD1 LEU 74 1HD1 LEU 74 -4.071 6.160 -26.874 560 2HD1 LEU 74 2HD1 LEU 74 -3.663 6.215 -25.143 561 3HD1 LEU 74 3HD1 LEU 74 -2.755 5.143 -26.238 562 1HD2 LEU 74 3HD2 LEU 74 -6.856 4.674 -25.449 563 2HD2 LEU 74 1HD2 LEU 74 -5.922 4.456 -23.950 564 3HD2 LEU 74 2HD2 LEU 74 -5.876 6.015 -24.808 565 H SER 75 H SER 75 -4.233 1.325 -25.216 566 HA SER 75 HA SER 75 -1.781 2.296 -24.398 567 1HB SER 75 1HB SER 75 -2.276 -0.338 -23.288 568 2HB SER 75 2HB SER 75 -2.379 1.225 -22.500 569 HG SER 75 HG SER 75 -4.554 1.453 -23.274 570 H LYS 76 H LYS 76 -2.687 -0.299 -26.606 571 HA LYS 76 HA LYS 76 -0.426 -1.903 -26.412 572 1HB LYS 76 1HB LYS 76 -1.507 -3.080 -27.966 573 2HB LYS 76 2HB LYS 76 -2.779 -1.879 -27.873 574 1HG LYS 76 1HG LYS 76 -1.603 -0.532 -29.653 575 2HG LYS 76 2HG LYS 76 -0.388 -1.789 -29.774 576 1HD LYS 76 1HD LYS 76 -2.064 -3.430 -30.497 577 2HD LYS 76 2HD LYS 76 -3.368 -2.298 -30.200 578 1HE LYS 76 1HE LYS 76 -2.305 -0.745 -31.933 579 2HE LYS 76 2HE LYS 76 -1.175 -2.030 -32.307 580 1HZ LYS 76 3HZ LYS 76 -3.341 -3.391 -32.555 581 2HZ LYS 76 1HZ LYS 76 -4.037 -1.931 -32.784 582 3HZ LYS 76 2HZ LYS 76 -2.839 -2.431 -33.776 583 H THR 77 H THR 77 -0.737 1.373 -27.376 584 HA THR 77 HA THR 77 1.528 1.277 -29.196 585 HB THR 77 HB THR 77 0.899 3.545 -29.676 586 HG1 THR 77 HG1 THR 77 -0.816 3.428 -27.319 587 1HG2 THR 77 1HG2 THR 77 -1.405 1.706 -29.093 588 2HG2 THR 77 2HG2 THR 77 -1.797 3.434 -29.255 589 3HG2 THR 77 3HG2 THR 77 -1.005 2.573 -30.595 590 H PHE 78 H PHE 78 0.824 1.853 -25.798 591 HA PHE 78 HA PHE 78 3.441 3.077 -25.442 592 1HB PHE 78 1HB PHE 78 1.283 2.348 -23.385 593 2HB PHE 78 2HB PHE 78 2.542 3.551 -23.195 594 HD1 PHE 78 HD1 PHE 78 -0.725 3.493 -23.236 595 HD2 PHE 78 HD2 PHE 78 2.353 5.075 -25.693 596 HE1 PHE 78 HE1 PHE 78 -2.296 5.267 -24.062 597 HE2 PHE 78 HE2 PHE 78 0.782 6.849 -26.519 598 HZ PHE 78 HZ PHE 78 -1.524 6.924 -25.694 599 H ILE 79 H ILE 79 2.085 -0.026 -25.603 600 HA ILE 79 HA ILE 79 3.286 -1.270 -23.400 601 HB ILE 79 HB ILE 79 2.031 -2.090 -25.957 602 1HG1 ILE 79 1HG1 ILE 79 1.565 -2.330 -23.045 603 2HG1 ILE 79 2HG1 ILE 79 0.428 -2.095 -24.357 604 1HG2 ILE 79 3HG2 ILE 79 3.784 -3.965 -24.344 605 2HG2 ILE 79 1HG2 ILE 79 2.646 -4.451 -25.623 606 3HG2 ILE 79 2HG2 ILE 79 4.052 -3.437 -26.022 607 1HD1 ILE 79 1HD1 ILE 79 1.828 -4.727 -23.698 608 2HD1 ILE 79 2HD1 ILE 79 0.137 -4.327 -23.314 609 3HD1 ILE 79 3HD1 ILE 79 0.652 -4.483 -25.010 610 H ILE 80 H ILE 80 5.405 -1.442 -22.930 611 HA ILE 80 HA ILE 80 7.259 -1.443 -25.205 612 HB ILE 80 HB ILE 80 8.924 -0.659 -23.503 613 1HG1 ILE 80 1HG1 ILE 80 6.518 -0.007 -21.792 614 2HG1 ILE 80 2HG1 ILE 80 7.495 -1.439 -21.538 615 1HG2 ILE 80 1HG2 ILE 80 7.436 0.744 -25.163 616 2HG2 ILE 80 2HG2 ILE 80 6.724 1.364 -23.654 617 3HG2 ILE 80 3HG2 ILE 80 8.470 1.542 -23.953 618 1HD1 ILE 80 1HD1 ILE 80 8.885 1.232 -21.777 619 2HD1 ILE 80 2HD1 ILE 80 8.065 0.812 -20.254 620 3HD1 ILE 80 3HD1 ILE 80 9.380 -0.218 -20.871 621 H GLY 81 H GLY 81 6.074 -3.125 -22.329 622 1HA GLY 81 2HA GLY 81 8.115 -4.858 -21.742 623 2HA GLY 81 1HA GLY 81 7.348 -5.549 -23.157 624 H GLU 82 H GLU 82 7.412 -6.568 -20.347 625 HA GLU 82 HA GLU 82 4.745 -6.145 -19.406 626 1HB GLU 82 1HB GLU 82 5.317 -9.041 -19.832 627 2HB GLU 82 2HB GLU 82 3.796 -8.176 -19.936 628 1HG GLU 82 1HG GLU 82 4.490 -7.198 -22.127 629 2HG GLU 82 2HG GLU 82 6.026 -8.033 -22.022 630 H LEU 83 H LEU 83 4.375 -7.743 -17.403 631 HA LEU 83 HA LEU 83 6.685 -7.363 -15.744 632 1HB LEU 83 1HB LEU 83 4.189 -7.011 -15.186 633 2HB LEU 83 2HB LEU 83 4.135 -8.748 -14.963 634 HG LEU 83 HG LEU 83 4.558 -8.169 -12.819 635 1HD1 LEU 83 1HD1 LEU 83 6.550 -9.444 -13.702 636 2HD1 LEU 83 2HD1 LEU 83 7.417 -7.891 -13.765 637 3HD1 LEU 83 3HD1 LEU 83 6.822 -8.515 -12.208 638 1HD2 LEU 83 2HD2 LEU 83 5.684 -5.654 -13.983 639 2HD2 LEU 83 3HD2 LEU 83 4.410 -5.883 -12.762 640 3HD2 LEU 83 1HD2 LEU 83 6.119 -6.105 -12.317 641 H HIS 84 H HIS 84 8.258 -8.820 -15.320 642 HA HIS 84 HA HIS 84 8.190 -11.314 -16.644 643 1HB HIS 84 1HB HIS 84 10.121 -9.627 -15.484 644 2HB HIS 84 2HB HIS 84 10.211 -11.122 -14.574 645 HD1 HIS 84 HD1 HIS 84 12.656 -11.203 -15.816 646 HD2 HIS 84 HD2 HIS 84 9.278 -11.869 -18.213 647 HE1 HIS 84 HE1 HIS 84 13.502 -12.317 -17.950 648 HE2 HIS 84 HE2 HIS 84 11.376 -12.749 -19.359 649 HA PRO 85 HA PRO 85 6.973 -13.977 -13.424 650 1HB PRO 85 1HB PRO 85 8.974 -15.771 -12.929 651 2HB PRO 85 2HB PRO 85 7.910 -15.881 -14.316 652 1HG PRO 85 1HG PRO 85 10.730 -15.001 -14.210 653 2HG PRO 85 2HG PRO 85 9.793 -15.520 -15.597 654 1HD PRO 85 1HD PRO 85 10.479 -12.822 -14.902 655 2HD PRO 85 2HD PRO 85 9.448 -13.334 -16.222 656 H ASP 86 H ASP 86 8.889 -11.600 -12.697 657 HA ASP 86 HA ASP 86 9.774 -12.430 -10.147 658 1HB ASP 86 1HB ASP 86 11.080 -10.646 -10.723 659 2HB ASP 86 2HB ASP 86 9.888 -10.028 -11.848 660 H ASP 87 H ASP 87 6.856 -11.026 -11.577 661 HA ASP 87 HA ASP 87 5.308 -11.494 -9.375 662 1HB ASP 87 1HB ASP 87 6.572 -8.770 -9.467 663 2HB ASP 87 2HB ASP 87 4.863 -8.816 -9.080 664 H ARG 88 H ARG 88 4.893 -12.080 -11.977 665 HA ARG 88 HA ARG 88 3.431 -9.918 -13.192 666 1HB ARG 88 1HB ARG 88 3.287 -11.471 -15.161 667 2HB ARG 88 2HB ARG 88 4.941 -11.219 -14.639 668 1HG ARG 88 1HG ARG 88 4.644 -13.366 -13.202 669 2HG ARG 88 2HG ARG 88 3.179 -13.648 -14.120 670 1HD ARG 88 1HD ARG 88 4.710 -13.317 -16.241 671 2HD ARG 88 2HD ARG 88 6.043 -13.570 -15.133 672 HE ARG 88 HE ARG 88 4.424 -15.698 -14.534 673 1HH1 ARG 88 2HH1 ARG 88 4.410 -17.732 -15.576 674 2HH1 ARG 88 1HH1 ARG 88 4.910 -17.861 -17.228 675 1HH2 ARG 88 2HH2 ARG 88 5.602 -14.427 -17.596 676 2HH2 ARG 88 1HH2 ARG 88 5.592 -15.969 -18.386 677 H SER 89 H SER 89 2.955 -13.388 -12.206 678 HA SER 89 HA SER 89 0.189 -13.291 -12.715 679 1HB SER 89 1HB SER 89 1.928 -15.317 -12.481 680 2HB SER 89 2HB SER 89 1.398 -15.292 -10.811 681 HG SER 89 HG SER 89 -0.767 -15.121 -12.527 682 H LYS 90 H LYS 90 2.012 -11.720 -10.414 683 HA LYS 90 HA LYS 90 0.110 -12.129 -8.243 684 1HB LYS 90 1HB LYS 90 2.926 -11.282 -8.468 685 2HB LYS 90 2HB LYS 90 1.984 -10.344 -7.326 686 1HG LYS 90 1HG LYS 90 1.111 -12.819 -6.630 687 2HG LYS 90 2HG LYS 90 2.678 -13.270 -7.271 688 1HD LYS 90 1HD LYS 90 3.852 -12.142 -5.604 689 2HD LYS 90 2HD LYS 90 2.621 -10.908 -5.414 690 1HE LYS 90 1HE LYS 90 1.181 -13.039 -4.545 691 2HE LYS 90 2HE LYS 90 2.782 -13.640 -4.164 692 1HZ LYS 90 3HZ LYS 90 1.991 -10.940 -3.379 693 2HZ LYS 90 1HZ LYS 90 1.589 -12.226 -2.457 694 3HZ LYS 90 2HZ LYS 90 3.160 -11.885 -2.742 695 H ILE 91 H ILE 91 0.286 -10.348 -11.039 696 HA ILE 91 HA ILE 91 -1.393 -8.279 -9.852 697 HB ILE 91 HB ILE 91 -0.246 -6.492 -10.742 698 1HG1 ILE 91 1HG1 ILE 91 1.152 -8.467 -12.556 699 2HG1 ILE 91 2HG1 ILE 91 0.060 -7.170 -13.002 700 1HG2 ILE 91 3HG2 ILE 91 0.972 -7.917 -8.892 701 2HG2 ILE 91 1HG2 ILE 91 2.187 -8.139 -10.173 702 3HG2 ILE 91 2HG2 ILE 91 1.757 -6.499 -9.630 703 1HD1 ILE 91 2HD1 ILE 91 2.132 -5.929 -11.499 704 2HD1 ILE 91 3HD1 ILE 91 2.936 -7.073 -12.599 705 3HD1 ILE 91 1HD1 ILE 91 1.857 -5.818 -13.254 706 H THR 92 H THR 92 -0.121 -9.993 -12.753 707 HA THR 92 HA THR 92 -1.598 -9.146 -14.772 708 HB THR 92 HB THR 92 -0.058 -11.230 -14.528 709 HG1 THR 92 HG1 THR 92 -1.224 -12.098 -16.410 710 1HG2 THR 92 3HG2 THR 92 -1.678 -12.372 -12.843 711 2HG2 THR 92 1HG2 THR 92 -2.760 -12.625 -14.234 712 3HG2 THR 92 2HG2 THR 92 -1.141 -13.365 -14.218 713 H LYS 93 H LYS 93 -3.670 -9.365 -15.689 714 HA LYS 93 HA LYS 93 -5.770 -8.906 -14.040 715 1HB LYS 93 1HB LYS 93 -5.502 -8.747 -16.629 716 2HB LYS 93 2HB LYS 93 -6.150 -10.375 -16.640 717 1HG LYS 93 1HG LYS 93 -7.891 -9.094 -14.893 718 2HG LYS 93 2HG LYS 93 -7.509 -7.805 -16.019 719 1HD LYS 93 1HD LYS 93 -9.202 -8.751 -17.255 720 2HD LYS 93 2HD LYS 93 -7.923 -9.813 -17.811 721 1HE LYS 93 1HE LYS 93 -8.722 -11.627 -16.629 722 2HE LYS 93 2HE LYS 93 -9.197 -10.657 -15.249 723 1HZ LYS 93 2HZ LYS 93 -11.013 -9.806 -16.749 724 2HZ LYS 93 3HZ LYS 93 -10.659 -11.044 -17.753 725 3HZ LYS 93 1HZ LYS 93 -11.161 -11.346 -16.229 726 HA PRO 94 HA PRO 94 -6.132 -12.909 -12.244 727 1HB PRO 94 1HB PRO 94 -7.540 -12.128 -10.035 728 2HB PRO 94 2HB PRO 94 -5.790 -12.142 -10.099 729 1HG PRO 94 1HG PRO 94 -7.628 -9.831 -10.226 730 2HG PRO 94 2HG PRO 94 -5.913 -9.851 -9.864 731 1HD PRO 94 1HD PRO 94 -7.136 -9.062 -12.336 732 2HD PRO 94 2HD PRO 94 -5.419 -9.194 -12.011 733 H SER 95 H SER 95 -8.017 -14.276 -11.339 734 HA SER 95 HA SER 95 -10.105 -13.835 -13.285 735 1HB SER 95 1HB SER 95 -10.833 -16.169 -12.513 736 2HB SER 95 2HB SER 95 -9.280 -16.071 -13.319 737 HG SER 95 HG SER 95 -9.550 -17.303 -11.140 738 H GLU 96 H GLU 96 -11.960 -12.785 -12.680 739 HA GLU 96 HA GLU 96 -12.414 -11.966 -10.101 740 1HB GLU 96 1HB GLU 96 -13.663 -11.701 -12.663 741 2HB GLU 96 2HB GLU 96 -14.920 -12.175 -11.539 742 1HG GLU 96 1HG GLU 96 -15.004 -10.004 -10.879 743 2HG GLU 96 2HG GLU 96 -13.464 -10.269 -10.086 744 H SER 97 H SER 97 -14.022 -12.600 -8.495 745 HA SER 97 HA SER 97 -15.705 -14.711 -8.705 746 1HB SER 97 1HB SER 97 -12.930 -15.588 -8.418 747 2HB SER 97 2HB SER 97 -13.890 -16.131 -7.056 748 HG SER 97 HG SER 97 -15.495 -16.745 -8.939 749 H ILE 98 H ILE 98 -17.094 -14.289 -7.027 750 HA ILE 98 HA ILE 98 -16.229 -14.076 -4.369 751 HB ILE 98 HB ILE 98 -15.427 -11.875 -5.345 752 1HG1 ILE 98 1HG1 ILE 98 -17.147 -10.940 -3.224 753 2HG1 ILE 98 2HG1 ILE 98 -16.567 -12.549 -2.844 754 1HG2 ILE 98 1HG2 ILE 98 -17.922 -11.731 -6.452 755 2HG2 ILE 98 2HG2 ILE 98 -18.096 -10.682 -5.025 756 3HG2 ILE 98 3HG2 ILE 98 -16.818 -10.354 -6.220 757 1HD1 ILE 98 3HD1 ILE 98 -14.222 -11.606 -3.643 758 2HD1 ILE 98 1HD1 ILE 98 -14.977 -10.026 -3.328 759 3HD1 ILE 98 2HD1 ILE 98 -14.826 -11.217 -2.014 760 H ILE 99 H ILE 99 -17.999 -14.218 -2.941 761 HA ILE 99 HA ILE 99 -20.643 -13.949 -4.126 762 HB ILE 99 HB ILE 99 -19.694 -16.327 -4.380 763 1HG1 ILE 99 1HG1 ILE 99 -22.267 -16.573 -2.965 764 2HG1 ILE 99 2HG1 ILE 99 -22.236 -15.304 -4.173 765 1HG2 ILE 99 3HG2 ILE 99 -19.191 -16.070 -1.684 766 2HG2 ILE 99 1HG2 ILE 99 -20.686 -17.036 -1.718 767 3HG2 ILE 99 2HG2 ILE 99 -19.244 -17.596 -2.598 768 1HD1 ILE 99 1HD1 ILE 99 -21.295 -16.972 -5.832 769 2HD1 ILE 99 2HD1 ILE 99 -21.527 -18.240 -4.603 770 3HD1 ILE 99 3HD1 ILE 99 -22.933 -17.369 -5.258 771 H THR 100 H THR 100 -22.370 -13.966 -2.420 772 HA THR 100 HA THR 100 -21.450 -13.607 0.295 773 HB THR 100 HB THR 100 -21.106 -11.380 -0.998 774 HG1 THR 100 HG1 THR 100 -21.427 -11.671 1.369 775 1HG2 THR 100 1HG2 THR 100 -24.160 -11.389 -0.729 776 2HG2 THR 100 2HG2 THR 100 -23.159 -9.998 -1.214 777 3HG2 THR 100 3HG2 THR 100 -23.278 -11.424 -2.275 778 H THR 101 H THR 101 -23.196 -13.555 1.845 779 HA THR 101 HA THR 101 -25.819 -14.209 0.726 780 HB THR 101 HB THR 101 -24.621 -16.369 1.065 781 HG1 THR 101 HG1 THR 101 -26.488 -15.650 3.214 782 1HG2 THR 101 3HG2 THR 101 -24.016 -15.087 3.719 783 2HG2 THR 101 1HG2 THR 101 -24.461 -16.809 3.748 784 3HG2 THR 101 2HG2 THR 101 -23.059 -16.268 2.794 785 H ILE 102 H ILE 102 -27.547 -14.186 2.437 786 HA ILE 102 HA ILE 102 -26.824 -12.156 4.436 787 HB ILE 102 HB ILE 102 -28.309 -11.436 2.553 788 1HG1 ILE 102 1HG1 ILE 102 -30.067 -10.449 4.183 789 2HG1 ILE 102 2HG1 ILE 102 -29.165 -11.273 5.441 790 1HG2 ILE 102 2HG2 ILE 102 -29.549 -13.606 2.388 791 2HG2 ILE 102 3HG2 ILE 102 -30.396 -13.171 3.891 792 3HG2 ILE 102 1HG2 ILE 102 -30.584 -12.157 2.441 793 1HD1 ILE 102 3HD1 ILE 102 -27.772 -9.474 3.423 794 2HD1 ILE 102 1HD1 ILE 102 -28.494 -8.829 4.917 795 3HD1 ILE 102 2HD1 ILE 102 -27.176 -10.020 5.007 796 H ASP 103 H ASP 103 -28.716 -15.125 3.694 797 HA ASP 103 HA ASP 103 -28.210 -16.318 6.063 798 1HB ASP 103 1HB ASP 103 -30.035 -14.201 6.492 799 2HB ASP 103 2HB ASP 103 -31.047 -15.631 6.439 800 H SER 104 H SER 104 -31.392 -15.605 4.415 801 HA SER 104 HA SER 104 -32.625 -16.783 3.055 802 1HB SER 104 1HB SER 104 -30.150 -17.697 2.327 803 2HB SER 104 2HB SER 104 -30.871 -19.197 2.877 804 HG SER 104 HG SER 104 -32.794 -18.268 1.433 No H/Q in entry = 804 Start of MODEL 42 1 H ALA 1 H ALA 1 31.265 2.499 -34.764 2 HA ALA 1 HA ALA 1 31.690 -0.125 -35.227 3 1HB ALA 1 2HB ALA 1 31.583 0.463 -32.256 4 2HB ALA 1 1HB ALA 1 32.745 -0.548 -33.150 5 3HB ALA 1 3HB ALA 1 31.071 -1.107 -32.919 6 H GLU 2 H GLU 2 29.563 -1.480 -34.379 7 HA GLU 2 HA GLU 2 27.387 0.343 -35.011 8 1HB GLU 2 1HB GLU 2 26.169 -1.653 -35.787 9 2HB GLU 2 2HB GLU 2 27.727 -1.541 -36.580 10 1HG GLU 2 1HG GLU 2 27.844 -3.058 -34.042 11 2HG GLU 2 2HG GLU 2 26.747 -3.773 -35.208 12 H GLU 3 H GLU 3 25.149 -0.572 -34.046 13 HA GLU 3 HA GLU 3 25.480 -1.756 -31.472 14 1HB GLU 3 1HB GLU 3 25.727 0.994 -31.529 15 2HB GLU 3 2HB GLU 3 24.008 0.816 -31.246 16 1HG GLU 3 1HG GLU 3 24.777 -0.970 -29.429 17 2HG GLU 3 2HG GLU 3 26.316 -0.136 -29.534 18 H SER 4 H SER 4 23.156 -1.770 -30.328 19 HA SER 4 HA SER 4 21.039 -1.647 -32.258 20 1HB SER 4 1HB SER 4 22.363 -4.143 -31.638 21 2HB SER 4 2HB SER 4 20.735 -4.206 -30.992 22 HG SER 4 HG SER 4 20.024 -4.507 -32.978 23 H SER 5 H SER 5 18.889 -2.503 -31.026 24 HA SER 5 HA SER 5 19.003 -2.297 -28.214 25 1HB SER 5 1HB SER 5 17.754 -0.229 -27.921 26 2HB SER 5 2HB SER 5 19.199 0.120 -28.848 27 HG SER 5 HG SER 5 16.537 -0.272 -29.927 28 H LYS 6 H LYS 6 16.506 -2.056 -27.399 29 HA LYS 6 HA LYS 6 14.534 -2.904 -29.240 30 1HB LYS 6 1HB LYS 6 14.202 -5.169 -28.565 31 2HB LYS 6 2HB LYS 6 15.875 -5.002 -29.061 32 1HG LYS 6 1HG LYS 6 16.367 -4.546 -26.524 33 2HG LYS 6 2HG LYS 6 14.769 -5.204 -26.237 34 1HD LYS 6 1HD LYS 6 15.470 -7.271 -27.565 35 2HD LYS 6 2HD LYS 6 17.095 -6.619 -27.619 36 1HE LYS 6 1HE LYS 6 16.735 -6.415 -24.961 37 2HE LYS 6 2HE LYS 6 15.548 -7.672 -25.250 38 1HZ LYS 6 3HZ LYS 6 17.413 -8.789 -26.528 39 2HZ LYS 6 1HZ LYS 6 18.421 -7.756 -25.764 40 3HZ LYS 6 2HZ LYS 6 17.508 -8.798 -24.898 41 H ALA 7 H ALA 7 12.515 -3.733 -27.817 42 HA ALA 7 HA ALA 7 12.227 -1.670 -25.803 43 1HB ALA 7 1HB ALA 7 10.415 -3.471 -27.395 44 2HB ALA 7 3HB ALA 7 10.372 -1.702 -27.198 45 3HB ALA 7 2HB ALA 7 9.813 -2.757 -25.878 46 H VAL 8 H VAL 8 12.066 -2.021 -23.605 47 HA VAL 8 HA VAL 8 13.284 -3.853 -22.253 48 HB VAL 8 HB VAL 8 12.289 -2.733 -20.637 49 1HG1 VAL 8 2HG1 VAL 8 10.337 -1.986 -22.812 50 2HG1 VAL 8 3HG1 VAL 8 10.091 -1.444 -21.133 51 3HG1 VAL 8 1HG1 VAL 8 11.571 -0.985 -22.010 52 1HG2 VAL 8 1HG2 VAL 8 11.052 -4.854 -20.302 53 2HG2 VAL 8 2HG2 VAL 8 10.128 -3.432 -19.765 54 3HG2 VAL 8 3HG2 VAL 8 9.728 -4.220 -21.308 55 H LYS 9 H LYS 9 9.838 -4.422 -23.279 56 HA LYS 9 HA LYS 9 8.858 -6.293 -23.976 57 1HB LYS 9 1HB LYS 9 11.610 -6.925 -24.387 58 2HB LYS 9 2HB LYS 9 10.850 -8.332 -23.672 59 1HG LYS 9 1HG LYS 9 9.021 -7.260 -25.626 60 2HG LYS 9 2HG LYS 9 10.603 -7.344 -26.374 61 1HD LYS 9 1HD LYS 9 10.432 -9.777 -24.989 62 2HD LYS 9 2HD LYS 9 8.794 -9.533 -25.561 63 1HE LYS 9 1HE LYS 9 9.499 -10.349 -27.566 64 2HE LYS 9 2HE LYS 9 10.335 -8.826 -27.790 65 1HZ LYS 9 1HZ LYS 9 11.945 -10.323 -26.167 66 2HZ LYS 9 2HZ LYS 9 11.419 -11.368 -27.307 67 3HZ LYS 9 3HZ LYS 9 12.184 -9.995 -27.750 68 H TYR 10 H TYR 10 11.190 -6.845 -21.257 69 HA TYR 10 HA TYR 10 8.901 -7.778 -19.682 70 1HB TYR 10 1HB TYR 10 11.173 -9.240 -18.844 71 2HB TYR 10 2HB TYR 10 9.889 -9.882 -19.846 72 HD1 TYR 10 HD1 TYR 10 10.243 -10.377 -22.164 73 HD2 TYR 10 HD2 TYR 10 13.254 -8.325 -19.921 74 HE1 TYR 10 HE1 TYR 10 11.906 -10.736 -24.054 75 HE2 TYR 10 HE2 TYR 10 14.907 -8.691 -21.818 76 HH TYR 10 HH TYR 10 14.223 -10.829 -24.417 77 H TYR 11 H TYR 11 8.799 -6.839 -17.690 78 HA TYR 11 HA TYR 11 11.285 -5.732 -16.602 79 1HB TYR 11 1HB TYR 11 8.712 -4.448 -17.486 80 2HB TYR 11 2HB TYR 11 9.221 -3.961 -15.882 81 HD1 TYR 11 HD1 TYR 11 12.254 -4.607 -17.241 82 HD2 TYR 11 HD2 TYR 11 9.019 -1.862 -17.775 83 HE1 TYR 11 HE1 TYR 11 13.852 -2.913 -18.261 84 HE2 TYR 11 HE2 TYR 11 10.627 -0.175 -18.794 85 HH TYR 11 HH TYR 11 13.721 -1.022 -19.805 86 H THR 12 H THR 12 10.955 -5.072 -14.223 87 HA THR 12 HA THR 12 9.216 -7.091 -12.974 88 HB THR 12 HB THR 12 10.884 -7.122 -11.186 89 HG1 THR 12 HG1 THR 12 12.668 -5.519 -11.435 90 1HG2 THR 12 1HG2 THR 12 11.590 -8.330 -13.313 91 2HG2 THR 12 2HG2 THR 12 12.416 -6.839 -13.823 92 3HG2 THR 12 3HG2 THR 12 12.962 -7.706 -12.367 93 H LEU 13 H LEU 13 7.986 -6.555 -11.114 94 HA LEU 13 HA LEU 13 6.575 -4.239 -11.279 95 1HB LEU 13 1HB LEU 13 6.962 -6.378 -9.321 96 2HB LEU 13 2HB LEU 13 6.490 -4.856 -8.592 97 HG LEU 13 HG LEU 13 4.981 -6.556 -10.563 98 1HD1 LEU 13 3HD1 LEU 13 4.771 -5.847 -7.742 99 2HD1 LEU 13 1HD1 LEU 13 3.256 -5.566 -8.632 100 3HD1 LEU 13 2HD1 LEU 13 4.015 -7.176 -8.654 101 1HD2 LEU 13 2HD2 LEU 13 4.865 -3.597 -10.283 102 2HD2 LEU 13 3HD2 LEU 13 4.522 -4.638 -11.685 103 3HD2 LEU 13 1HD2 LEU 13 3.318 -4.470 -10.386 104 H GLU 14 H GLU 14 9.680 -4.845 -9.603 105 HA GLU 14 HA GLU 14 9.690 -2.438 -8.199 106 1HB GLU 14 1HB GLU 14 11.411 -4.707 -8.556 107 2HB GLU 14 2HB GLU 14 12.379 -3.276 -8.851 108 1HG GLU 14 1HG GLU 14 12.577 -3.184 -6.577 109 2HG GLU 14 2HG GLU 14 10.972 -2.480 -6.617 110 H GLU 15 H GLU 15 11.138 -3.427 -11.373 111 HA GLU 15 HA GLU 15 12.423 -1.081 -11.916 112 1HB GLU 15 1HB GLU 15 11.302 -3.333 -13.541 113 2HB GLU 15 2HB GLU 15 11.704 -1.870 -14.419 114 1HG GLU 15 1HG GLU 15 13.849 -2.449 -12.554 115 2HG GLU 15 2HG GLU 15 13.494 -3.901 -13.467 116 H ILE 16 H ILE 16 8.969 -1.937 -12.200 117 HA ILE 16 HA ILE 16 8.354 0.474 -13.646 118 HB ILE 16 HB ILE 16 6.428 -1.436 -12.335 119 1HG1 ILE 16 1HG1 ILE 16 7.014 -1.890 -15.179 120 2HG1 ILE 16 2HG1 ILE 16 8.372 -2.239 -14.127 121 1HG2 ILE 16 2HG2 ILE 16 6.130 0.933 -13.878 122 2HG2 ILE 16 3HG2 ILE 16 5.596 -0.439 -14.879 123 3HG2 ILE 16 1HG2 ILE 16 4.872 -0.172 -13.275 124 1HD1 ILE 16 2HD1 ILE 16 5.964 -3.265 -12.887 125 2HD1 ILE 16 3HD1 ILE 16 6.049 -3.841 -14.569 126 3HD1 ILE 16 1HD1 ILE 16 7.395 -4.162 -13.450 127 H GLN 17 H GLN 17 8.204 -0.782 -10.287 128 HA GLN 17 HA GLN 17 6.661 1.193 -9.203 129 1HB GLN 17 1HB GLN 17 7.824 -1.007 -8.215 130 2HB GLN 17 2HB GLN 17 9.022 0.143 -7.653 131 1HG GLN 17 1HG GLN 17 6.223 1.015 -7.173 132 2HG GLN 17 2HG GLN 17 6.647 -0.469 -6.341 133 1HE2 GLN 17 1HE2 GLN 17 6.212 2.451 -5.580 134 2HE2 GLN 17 2HE2 GLN 17 7.551 2.855 -4.558 135 H LYS 18 H LYS 18 10.062 1.237 -10.234 136 HA LYS 18 HA LYS 18 10.675 3.656 -8.846 137 1HB LYS 18 1HB LYS 18 12.806 3.282 -9.518 138 2HB LYS 18 2HB LYS 18 12.195 1.659 -9.758 139 1HG LYS 18 1HG LYS 18 11.674 2.273 -12.169 140 2HG LYS 18 2HG LYS 18 12.439 3.825 -11.898 141 1HD LYS 18 1HD LYS 18 14.278 1.859 -10.934 142 2HD LYS 18 2HD LYS 18 13.681 1.255 -12.467 143 1HE LYS 18 1HE LYS 18 14.117 3.765 -13.278 144 2HE LYS 18 2HE LYS 18 15.197 3.810 -11.897 145 1HZ LYS 18 3HZ LYS 18 15.360 1.553 -13.721 146 2HZ LYS 18 1HZ LYS 18 16.024 2.974 -14.170 147 3HZ LYS 18 2HZ LYS 18 16.532 2.230 -12.808 148 H HIS 19 H HIS 19 9.811 2.716 -12.227 149 HA HIS 19 HA HIS 19 9.993 5.376 -13.168 150 1HB HIS 19 1HB HIS 19 9.072 2.744 -14.229 151 2HB HIS 19 2HB HIS 19 8.478 4.182 -15.034 152 HD1 HIS 19 HD1 HIS 19 9.868 4.664 -17.039 153 HD2 HIS 19 HD2 HIS 19 12.175 3.215 -13.850 154 HE1 HIS 19 HE1 HIS 19 12.285 4.641 -17.858 155 HE2 HIS 19 HE2 HIS 19 13.661 3.792 -15.838 156 H ASN 20 H ASN 20 8.770 6.591 -11.580 157 HA ASN 20 HA ASN 20 5.906 6.265 -12.015 158 1HB ASN 20 1HB ASN 20 6.263 5.600 -9.725 159 2HB ASN 20 2HB ASN 20 7.447 6.862 -9.455 160 1HD2 ASN 20 1HD2 ASN 20 4.054 6.399 -10.414 161 2HD2 ASN 20 2HD2 ASN 20 3.393 7.751 -9.557 162 H ASN 21 H ASN 21 8.195 7.969 -13.229 163 HA ASN 21 HA ASN 21 7.422 10.594 -12.306 164 1HB ASN 21 1HB ASN 21 9.464 9.923 -14.475 165 2HB ASN 21 2HB ASN 21 9.356 11.402 -13.545 166 1HD2 ASN 21 1HD2 ASN 21 11.476 9.318 -13.928 167 2HD2 ASN 21 2HD2 ASN 21 11.986 8.860 -12.337 168 H SER 22 H SER 22 6.634 12.222 -13.883 169 HA SER 22 HA SER 22 4.866 11.115 -15.747 170 1HB SER 22 1HB SER 22 4.441 13.519 -16.362 171 2HB SER 22 2HB SER 22 4.311 13.199 -14.644 172 HG SER 22 HG SER 22 6.412 14.095 -14.322 173 H LYS 23 H LYS 23 8.038 10.909 -15.976 174 HA LYS 23 HA LYS 23 8.137 11.737 -18.794 175 1HB LYS 23 1HB LYS 23 9.970 12.177 -16.571 176 2HB LYS 23 2HB LYS 23 10.763 11.370 -17.908 177 1HG LYS 23 1HG LYS 23 9.772 13.133 -19.464 178 2HG LYS 23 2HG LYS 23 9.178 13.977 -18.048 179 1HD LYS 23 1HD LYS 23 11.659 13.883 -17.202 180 2HD LYS 23 2HD LYS 23 12.065 13.479 -18.858 181 1HE LYS 23 1HE LYS 23 10.600 15.599 -19.469 182 2HE LYS 23 2HE LYS 23 10.831 16.036 -17.788 183 1HZ LYS 23 2HZ LYS 23 13.280 15.559 -18.322 184 2HZ LYS 23 3HZ LYS 23 12.835 15.756 -19.880 185 3HZ LYS 23 1HZ LYS 23 12.624 16.973 -18.811 186 H SER 24 H SER 24 8.504 9.170 -16.387 187 HA SER 24 HA SER 24 8.914 7.349 -18.621 188 1HB SER 24 1HB SER 24 10.041 6.482 -16.010 189 2HB SER 24 2HB SER 24 10.686 6.282 -17.627 190 HG SER 24 HG SER 24 10.756 8.926 -17.104 191 H THR 25 H THR 25 6.512 8.357 -17.039 192 HA THR 25 HA THR 25 5.555 6.740 -15.118 193 HB THR 25 HB THR 25 3.811 7.429 -17.504 194 HG1 THR 25 HG1 THR 25 4.017 9.675 -16.560 195 1HG2 THR 25 3HG2 THR 25 3.590 7.945 -14.489 196 2HG2 THR 25 1HG2 THR 25 2.351 8.337 -15.707 197 3HG2 THR 25 2HG2 THR 25 2.754 6.638 -15.363 198 H TRP 26 H TRP 26 5.962 4.607 -14.910 199 HA TRP 26 HA TRP 26 5.181 2.937 -17.203 200 1HB TRP 26 1HB TRP 26 7.356 2.571 -15.146 201 2HB TRP 26 2HB TRP 26 6.752 1.249 -16.127 202 HD1 TRP 26 HD1 TRP 26 6.640 4.051 -18.437 203 HE1 TRP 26 HE1 TRP 26 8.763 4.282 -19.989 204 HE3 TRP 26 HE3 TRP 26 9.622 0.967 -15.708 205 HZ2 TRP 26 HZ2 TRP 26 11.391 3.173 -19.903 206 HZ3 TRP 26 HZ3 TRP 26 11.952 0.594 -16.511 207 HH2 TRP 26 HH2 TRP 26 12.848 1.639 -18.530 208 H LEU 27 H LEU 27 3.650 1.328 -16.802 209 HA LEU 27 HA LEU 27 3.004 0.685 -14.059 210 1HB LEU 27 1HB LEU 27 0.835 1.445 -14.016 211 2HB LEU 27 2HB LEU 27 1.709 2.775 -14.751 212 HG LEU 27 HG LEU 27 -0.152 2.682 -16.083 213 1HD1 LEU 27 3HD1 LEU 27 2.033 2.301 -17.379 214 2HD1 LEU 27 1HD1 LEU 27 1.446 0.636 -17.615 215 3HD1 LEU 27 2HD1 LEU 27 0.495 2.012 -18.226 216 1HD2 LEU 27 3HD2 LEU 27 -0.657 0.285 -14.907 217 2HD2 LEU 27 1HD2 LEU 27 -1.611 0.982 -16.238 218 3HD2 LEU 27 2HD2 LEU 27 -0.344 -0.218 -16.586 219 H ILE 28 H ILE 28 1.086 -1.027 -14.138 220 HA ILE 28 HA ILE 28 1.715 -2.788 -16.402 221 HB ILE 28 HB ILE 28 0.593 -3.945 -13.935 222 1HG1 ILE 28 1HG1 ILE 28 2.229 -2.120 -13.178 223 2HG1 ILE 28 2HG1 ILE 28 2.462 -3.741 -12.557 224 1HG2 ILE 28 2HG2 ILE 28 2.488 -4.668 -16.115 225 2HG2 ILE 28 3HG2 ILE 28 2.717 -5.446 -14.530 226 3HG2 ILE 28 1HG2 ILE 28 1.163 -5.602 -15.382 227 1HD1 ILE 28 2HD1 ILE 28 3.879 -3.041 -15.115 228 2HD1 ILE 28 3HD1 ILE 28 4.492 -2.325 -13.606 229 3HD1 ILE 28 1HD1 ILE 28 4.405 -4.095 -13.781 230 H LEU 29 H LEU 29 0.041 -3.684 -17.594 231 HA LEU 29 HA LEU 29 -2.667 -3.141 -16.658 232 1HB LEU 29 1HB LEU 29 -1.487 -1.454 -18.436 233 2HB LEU 29 2HB LEU 29 -2.208 -2.623 -19.523 234 HG LEU 29 HG LEU 29 -3.493 -0.615 -17.754 235 1HD1 LEU 29 3HD1 LEU 29 -4.016 -1.777 -20.491 236 2HD1 LEU 29 1HD1 LEU 29 -5.157 -0.681 -19.676 237 3HD1 LEU 29 2HD1 LEU 29 -3.510 -0.126 -20.058 238 1HD2 LEU 29 1HD2 LEU 29 -4.512 -3.420 -18.041 239 2HD2 LEU 29 2HD2 LEU 29 -4.539 -2.332 -16.633 240 3HD2 LEU 29 3HD2 LEU 29 -5.662 -2.063 -17.988 241 H HIS 30 H HIS 30 -3.646 -5.083 -16.568 242 HA HIS 30 HA HIS 30 -4.412 -7.042 -17.227 243 1HB HIS 30 1HB HIS 30 -4.447 -5.956 -19.529 244 2HB HIS 30 2HB HIS 30 -2.918 -6.754 -19.843 245 HD1 HIS 30 HD1 HIS 30 -2.953 -9.275 -20.361 246 HD2 HIS 30 HD2 HIS 30 -6.706 -7.723 -19.307 247 HE1 HIS 30 HE1 HIS 30 -4.658 -11.096 -20.902 248 HE2 HIS 30 HE2 HIS 30 -6.937 -10.105 -20.182 249 H TYR 31 H TYR 31 -0.989 -6.545 -18.328 250 HA TYR 31 HA TYR 31 0.149 -8.165 -16.424 251 1HB TYR 31 1HB TYR 31 -0.497 -10.258 -17.213 252 2HB TYR 31 2HB TYR 31 -1.245 -9.539 -18.626 253 HD1 TYR 31 HD1 TYR 31 1.969 -10.818 -17.267 254 HD2 TYR 31 HD2 TYR 31 -0.185 -9.620 -20.763 255 HE1 TYR 31 HE1 TYR 31 3.804 -11.784 -18.738 256 HE2 TYR 31 HE2 TYR 31 1.658 -10.588 -22.222 257 HH TYR 31 HH TYR 31 3.662 -11.433 -22.260 258 H LYS 32 H LYS 32 0.162 -6.062 -18.974 259 HA LYS 32 HA LYS 32 3.020 -6.523 -19.479 260 1HB LYS 32 1HB LYS 32 0.989 -5.204 -21.304 261 2HB LYS 32 2HB LYS 32 2.693 -5.431 -21.647 262 1HG LYS 32 1HG LYS 32 2.240 -7.497 -22.459 263 2HG LYS 32 2HG LYS 32 1.701 -7.995 -20.869 264 1HD LYS 32 1HD LYS 32 -0.540 -7.751 -21.390 265 2HD LYS 32 2HD LYS 32 -0.263 -6.357 -22.415 266 1HE LYS 32 1HE LYS 32 1.034 -8.499 -23.749 267 2HE LYS 32 2HE LYS 32 -0.467 -9.185 -23.158 268 1HZ LYS 32 1HZ LYS 32 -1.271 -6.834 -24.109 269 2HZ LYS 32 2HZ LYS 32 -0.061 -7.178 -25.150 270 3HZ LYS 32 3HZ LYS 32 -1.299 -8.226 -24.965 271 H VAL 33 H VAL 33 4.172 -4.357 -20.069 272 HA VAL 33 HA VAL 33 3.234 -2.366 -18.123 273 HB VAL 33 HB VAL 33 5.683 -1.687 -18.160 274 1HG1 VAL 33 1HG1 VAL 33 4.349 -3.899 -16.813 275 2HG1 VAL 33 2HG1 VAL 33 6.109 -4.150 -16.913 276 3HG1 VAL 33 3HG1 VAL 33 5.462 -2.671 -16.163 277 1HG2 VAL 33 2HG2 VAL 33 6.043 -3.153 -20.297 278 2HG2 VAL 33 3HG2 VAL 33 7.322 -3.056 -19.063 279 3HG2 VAL 33 1HG2 VAL 33 6.253 -4.477 -19.126 280 H TYR 34 H TYR 34 2.832 -0.294 -18.810 281 HA TYR 34 HA TYR 34 3.534 0.286 -21.608 282 1HB TYR 34 1HB TYR 34 1.108 1.245 -19.978 283 2HB TYR 34 2HB TYR 34 1.316 1.395 -21.712 284 HD1 TYR 34 HD1 TYR 34 1.223 -1.311 -19.105 285 HD2 TYR 34 HD2 TYR 34 0.145 -0.085 -23.059 286 HE1 TYR 34 HE1 TYR 34 -0.028 -3.496 -19.449 287 HE2 TYR 34 HE2 TYR 34 -1.101 -2.276 -23.390 288 HH TYR 34 HH TYR 34 -1.523 -4.245 -22.575 289 H ASP 35 H ASP 35 3.774 2.615 -22.105 290 HA ASP 35 HA ASP 35 4.968 3.923 -19.824 291 1HB ASP 35 1HB ASP 35 5.431 3.841 -22.698 292 2HB ASP 35 2HB ASP 35 5.217 5.506 -22.197 293 H LEU 36 H LEU 36 3.120 4.806 -18.712 294 HA LEU 36 HA LEU 36 0.921 5.946 -19.946 295 1HB LEU 36 1HB LEU 36 2.132 6.536 -17.243 296 2HB LEU 36 2HB LEU 36 0.522 7.002 -17.756 297 HG LEU 36 HG LEU 36 1.575 4.205 -17.290 298 1HD1 LEU 36 2HD1 LEU 36 0.358 6.066 -15.590 299 2HD1 LEU 36 3HD1 LEU 36 -0.922 4.901 -16.003 300 3HD1 LEU 36 1HD1 LEU 36 0.607 4.329 -15.296 301 1HD2 LEU 36 1HD2 LEU 36 -0.892 5.112 -18.749 302 2HD2 LEU 36 2HD2 LEU 36 0.272 3.832 -19.169 303 3HD2 LEU 36 3HD2 LEU 36 -0.884 3.584 -17.838 304 H THR 37 H THR 37 4.189 7.172 -19.404 305 HA THR 37 HA THR 37 3.936 9.849 -19.382 306 HB THR 37 HB THR 37 5.818 8.095 -21.046 307 HG1 THR 37 HG1 THR 37 6.958 8.158 -19.060 308 1HG2 THR 37 3HG2 THR 37 5.769 10.681 -21.552 309 2HG2 THR 37 1HG2 THR 37 6.429 10.851 -19.907 310 3HG2 THR 37 2HG2 THR 37 7.332 9.937 -21.139 311 H LYS 38 H LYS 38 2.920 7.703 -21.985 312 HA LYS 38 HA LYS 38 2.624 9.947 -23.798 313 1HB LYS 38 1HB LYS 38 3.398 8.103 -24.959 314 2HB LYS 38 2HB LYS 38 2.457 6.964 -24.017 315 1HG LYS 38 1HG LYS 38 1.308 7.026 -26.085 316 2HG LYS 38 2HG LYS 38 0.357 8.093 -25.073 317 1HD LYS 38 1HD LYS 38 2.296 9.811 -26.141 318 2HD LYS 38 2HD LYS 38 1.962 8.723 -27.473 319 1HE LYS 38 1HE LYS 38 -0.453 9.205 -27.330 320 2HE LYS 38 2HE LYS 38 -0.213 10.168 -25.887 321 1HZ LYS 38 2HZ LYS 38 1.123 10.813 -28.413 322 2HZ LYS 38 3HZ LYS 38 -0.356 11.396 -28.037 323 3HZ LYS 38 1HZ LYS 38 0.931 11.773 -27.106 324 H PHE 39 H PHE 39 0.596 7.522 -22.034 325 HA PHE 39 HA PHE 39 -1.825 8.708 -22.913 326 1HB PHE 39 1HB PHE 39 -1.389 7.036 -20.390 327 2HB PHE 39 2HB PHE 39 -2.774 7.003 -21.463 328 HD1 PHE 39 HD1 PHE 39 -1.215 4.603 -20.483 329 HD2 PHE 39 HD2 PHE 39 -0.853 6.951 -23.999 330 HE1 PHE 39 HE1 PHE 39 -0.230 2.638 -21.696 331 HE2 PHE 39 HE2 PHE 39 0.132 4.986 -25.211 332 HZ PHE 39 HZ PHE 39 0.431 2.853 -24.045 333 H LEU 40 H LEU 40 0.549 9.737 -20.708 334 HA LEU 40 HA LEU 40 -0.794 10.591 -18.500 335 1HB LEU 40 1HB LEU 40 1.568 11.551 -20.034 336 2HB LEU 40 2HB LEU 40 0.911 12.618 -18.808 337 HG LEU 40 HG LEU 40 2.175 9.909 -18.483 338 1HD1 LEU 40 2HD1 LEU 40 2.768 12.698 -17.727 339 2HD1 LEU 40 3HD1 LEU 40 3.070 11.489 -16.457 340 3HD1 LEU 40 1HD1 LEU 40 3.859 11.328 -18.045 341 1HD2 LEU 40 2HD2 LEU 40 0.019 11.085 -16.807 342 2HD2 LEU 40 3HD2 LEU 40 0.452 9.384 -17.106 343 3HD2 LEU 40 1HD2 LEU 40 1.406 10.358 -15.962 344 H GLU 41 H GLU 41 -0.174 12.694 -21.405 345 HA GLU 41 HA GLU 41 -1.999 14.607 -20.594 346 1HB GLU 41 1HB GLU 41 -0.187 14.193 -22.759 347 2HB GLU 41 2HB GLU 41 -1.743 14.541 -23.487 348 1HG GLU 41 1HG GLU 41 -1.942 16.568 -21.974 349 2HG GLU 41 2HG GLU 41 -0.324 16.243 -21.384 350 H GLU 42 H GLU 42 -2.336 12.352 -23.436 351 HA GLU 42 HA GLU 42 -4.992 12.823 -23.826 352 1HB GLU 42 1HB GLU 42 -3.015 11.163 -24.926 353 2HB GLU 42 2HB GLU 42 -4.239 10.032 -24.382 354 1HG GLU 42 1HG GLU 42 -5.420 10.528 -26.255 355 2HG GLU 42 2HG GLU 42 -5.723 12.115 -25.575 356 H HIS 43 H HIS 43 -6.406 12.813 -22.081 357 HA HIS 43 HA HIS 43 -7.435 10.422 -21.211 358 1HB HIS 43 1HB HIS 43 -5.006 10.789 -19.970 359 2HB HIS 43 2HB HIS 43 -6.115 11.466 -18.795 360 HD1 HIS 43 HD1 HIS 43 -4.704 8.302 -19.883 361 HD2 HIS 43 HD2 HIS 43 -8.301 9.528 -18.107 362 HE1 HIS 43 HE1 HIS 43 -5.750 6.209 -18.868 363 HE2 HIS 43 HE2 HIS 43 -7.931 7.034 -17.744 364 HA PRO 44 HA PRO 44 -10.295 13.527 -20.181 365 1HB PRO 44 1HB PRO 44 -12.385 11.929 -19.443 366 2HB PRO 44 2HB PRO 44 -12.029 12.332 -21.111 367 1HG PRO 44 1HG PRO 44 -11.548 9.792 -19.676 368 2HG PRO 44 2HG PRO 44 -11.602 10.084 -21.404 369 1HD PRO 44 1HD PRO 44 -9.256 9.708 -19.799 370 2HD PRO 44 2HD PRO 44 -9.306 10.115 -21.502 371 H GLY 45 H GLY 45 -8.511 11.851 -18.119 372 1HA GLY 45 2HA GLY 45 -8.905 11.508 -15.763 373 2HA GLY 45 1HA GLY 45 -9.958 12.908 -15.768 374 H GLY 46 H GLY 46 -6.607 12.187 -17.006 375 1HA GLY 46 2HA GLY 46 -5.594 14.375 -15.325 376 2HA GLY 46 1HA GLY 46 -5.332 14.443 -17.057 377 H GLU 47 H GLU 47 -3.005 14.328 -16.682 378 HA GLU 47 HA GLU 47 -1.869 11.987 -17.177 379 1HB GLU 47 1HB GLU 47 -0.672 14.173 -15.415 380 2HB GLU 47 2HB GLU 47 0.246 12.942 -16.258 381 1HG GLU 47 1HG GLU 47 0.353 14.426 -17.984 382 2HG GLU 47 2HG GLU 47 -1.308 13.977 -18.313 383 H GLU 48 H GLU 48 -2.512 13.329 -13.876 384 HA GLU 48 HA GLU 48 -1.276 11.459 -12.385 385 1HB GLU 48 1HB GLU 48 -3.167 13.515 -11.968 386 2HB GLU 48 2HB GLU 48 -3.910 12.090 -11.267 387 1HG GLU 48 1HG GLU 48 -1.619 11.668 -10.106 388 2HG GLU 48 2HG GLU 48 -1.201 13.302 -10.583 389 H VAL 49 H VAL 49 -4.607 11.280 -13.801 390 HA VAL 49 HA VAL 49 -5.586 9.039 -12.745 391 HB VAL 49 HB VAL 49 -6.458 10.553 -14.609 392 1HG1 VAL 49 1HG1 VAL 49 -4.373 9.498 -16.060 393 2HG1 VAL 49 2HG1 VAL 49 -5.758 8.541 -16.639 394 3HG1 VAL 49 3HG1 VAL 49 -5.797 10.318 -16.747 395 1HG2 VAL 49 1HG2 VAL 49 -6.963 7.662 -14.166 396 2HG2 VAL 49 2HG2 VAL 49 -8.067 9.053 -14.053 397 3HG2 VAL 49 3HG2 VAL 49 -7.663 8.363 -15.645 398 H LEU 50 H LEU 50 -2.744 9.300 -14.846 399 HA LEU 50 HA LEU 50 -2.550 6.371 -14.832 400 1HB LEU 50 1HB LEU 50 -1.211 8.379 -16.650 401 2HB LEU 50 2HB LEU 50 -1.026 6.640 -16.725 402 HG LEU 50 HG LEU 50 -3.829 7.499 -16.872 403 1HD1 LEU 50 2HD1 LEU 50 -1.931 9.035 -18.356 404 2HD1 LEU 50 3HD1 LEU 50 -2.853 8.018 -19.489 405 3HD1 LEU 50 1HD1 LEU 50 -3.708 9.118 -18.379 406 1HD2 LEU 50 3HD2 LEU 50 -2.399 5.258 -17.503 407 2HD2 LEU 50 1HD2 LEU 50 -4.037 5.630 -18.089 408 3HD2 LEU 50 2HD2 LEU 50 -2.624 6.008 -19.102 409 H ARG 51 H ARG 51 -1.045 9.460 -13.912 410 HA ARG 51 HA ARG 51 1.437 8.364 -13.276 411 1HB ARG 51 1HB ARG 51 0.428 10.907 -13.457 412 2HB ARG 51 2HB ARG 51 0.452 10.731 -11.713 413 1HG ARG 51 1HG ARG 51 2.930 9.761 -13.029 414 2HG ARG 51 2HG ARG 51 2.628 11.467 -13.287 415 1HD ARG 51 1HD ARG 51 2.221 11.630 -10.726 416 2HD ARG 51 2HD ARG 51 2.900 10.016 -10.620 417 HE ARG 51 HE ARG 51 5.023 10.924 -10.970 418 1HH1 ARG 51 2HH1 ARG 51 6.548 12.571 -11.402 419 2HH1 ARG 51 1HH1 ARG 51 6.019 14.097 -12.027 420 1HH2 ARG 51 2HH2 ARG 51 2.608 13.222 -12.095 421 2HH2 ARG 51 1HH2 ARG 51 3.764 14.471 -12.423 422 H GLU 52 H GLU 52 -1.610 8.930 -11.438 423 HA GLU 52 HA GLU 52 -0.572 8.352 -8.933 424 1HB GLU 52 1HB GLU 52 -2.865 8.234 -8.206 425 2HB GLU 52 2HB GLU 52 -2.788 9.463 -9.451 426 1HG GLU 52 1HG GLU 52 -3.644 7.882 -11.138 427 2HG GLU 52 2HG GLU 52 -3.590 6.565 -9.983 428 H GLN 53 H GLN 53 -0.962 6.348 -11.669 429 HA GLN 53 HA GLN 53 -1.154 3.994 -9.961 430 1HB GLN 53 1HB GLN 53 -1.797 2.788 -12.081 431 2HB GLN 53 2HB GLN 53 -2.938 4.024 -11.594 432 1HG GLN 53 1HG GLN 53 -1.858 5.631 -13.197 433 2HG GLN 53 2HG GLN 53 -0.749 4.370 -13.699 434 1HE2 GLN 53 1HE2 GLN 53 -4.023 5.535 -13.739 435 2HE2 GLN 53 2HE2 GLN 53 -4.650 4.496 -14.975 436 H ALA 54 H ALA 54 0.863 5.875 -12.115 437 HA ALA 54 HA ALA 54 2.574 3.935 -13.094 438 1HB ALA 54 2HB ALA 54 2.323 6.579 -13.420 439 2HB ALA 54 1HB ALA 54 3.847 5.730 -13.778 440 3HB ALA 54 3HB ALA 54 3.652 6.597 -12.235 441 H GLY 55 H GLY 55 4.050 2.600 -12.164 442 1HA GLY 55 2HA GLY 55 4.975 3.295 -9.441 443 2HA GLY 55 1HA GLY 55 5.916 2.424 -10.635 444 H GLY 56 H GLY 56 3.268 0.995 -11.495 445 1HA GLY 56 2HA GLY 56 2.494 -0.566 -9.223 446 2HA GLY 56 1HA GLY 56 3.639 -1.412 -10.244 447 H ASP 57 H ASP 57 1.291 -2.658 -10.130 448 HA ASP 57 HA ASP 57 0.379 -2.484 -12.779 449 1HB ASP 57 1HB ASP 57 0.059 -4.646 -12.102 450 2HB ASP 57 2HB ASP 57 -0.024 -4.198 -10.411 451 H ALA 58 H ALA 58 -1.299 -1.184 -13.553 452 HA ALA 58 HA ALA 58 -2.941 0.180 -11.556 453 1HB ALA 58 1HB ALA 58 -1.527 1.329 -13.434 454 2HB ALA 58 2HB ALA 58 -2.848 0.810 -14.510 455 3HB ALA 58 3HB ALA 58 -3.189 1.892 -13.139 456 H THR 59 H THR 59 -2.961 -2.356 -13.956 457 HA THR 59 HA THR 59 -5.511 -2.326 -14.927 458 HB THR 59 HB THR 59 -3.307 -4.058 -14.870 459 HG1 THR 59 HG1 THR 59 -6.091 -4.394 -15.744 460 1HG2 THR 59 2HG2 THR 59 -5.803 -5.460 -13.771 461 2HG2 THR 59 3HG2 THR 59 -4.344 -6.277 -14.379 462 3HG2 THR 59 1HG2 THR 59 -4.257 -5.286 -12.903 463 H GLU 60 H GLU 60 -4.431 -3.650 -11.739 464 HA GLU 60 HA GLU 60 -6.713 -4.738 -10.897 465 1HB GLU 60 1HB GLU 60 -6.005 -3.929 -8.559 466 2HB GLU 60 2HB GLU 60 -4.819 -4.847 -9.465 467 1HG GLU 60 1HG GLU 60 -3.367 -3.121 -9.251 468 2HG GLU 60 2HG GLU 60 -4.424 -2.139 -10.245 469 H ASN 61 H ASN 61 -6.008 -1.263 -11.269 470 HA ASN 61 HA ASN 61 -8.523 -0.615 -10.012 471 1HB ASN 61 1HB ASN 61 -6.018 0.693 -10.212 472 2HB ASN 61 2HB ASN 61 -7.058 1.617 -11.277 473 1HD2 ASN 61 1HD2 ASN 61 -9.282 2.096 -10.379 474 2HD2 ASN 61 2HD2 ASN 61 -9.380 2.630 -8.734 475 H PHE 62 H PHE 62 -6.683 -0.100 -13.115 476 HA PHE 62 HA PHE 62 -8.548 1.216 -14.574 477 1HB PHE 62 1HB PHE 62 -6.696 0.849 -15.922 478 2HB PHE 62 2HB PHE 62 -6.198 -0.508 -14.931 479 HD1 PHE 62 HD1 PHE 62 -7.475 0.488 -18.088 480 HD2 PHE 62 HD2 PHE 62 -7.384 -2.765 -15.366 481 HE1 PHE 62 HE1 PHE 62 -8.067 -1.086 -19.951 482 HE2 PHE 62 HE2 PHE 62 -7.976 -4.339 -17.228 483 HZ PHE 62 HZ PHE 62 -8.311 -3.481 -19.499 484 H GLU 63 H GLU 63 -8.698 -2.084 -13.388 485 HA GLU 63 HA GLU 63 -10.519 -2.976 -15.361 486 1HB GLU 63 1HB GLU 63 -9.264 -4.048 -12.889 487 2HB GLU 63 2HB GLU 63 -10.857 -4.693 -13.226 488 1HG GLU 63 1HG GLU 63 -9.244 -4.565 -15.673 489 2HG GLU 63 2HG GLU 63 -8.416 -5.479 -14.428 490 H ASP 64 H ASP 64 -10.743 -1.642 -12.022 491 HA ASP 64 HA ASP 64 -13.432 -2.127 -11.662 492 1HB ASP 64 1HB ASP 64 -11.361 -0.918 -10.236 493 2HB ASP 64 2HB ASP 64 -12.430 0.436 -10.546 494 H VAL 65 H VAL 65 -11.592 0.503 -13.279 495 HA VAL 65 HA VAL 65 -13.937 2.122 -13.671 496 HB VAL 65 HB VAL 65 -12.211 3.538 -13.540 497 1HG1 VAL 65 2HG1 VAL 65 -10.464 1.272 -14.526 498 2HG1 VAL 65 3HG1 VAL 65 -9.845 2.923 -14.281 499 3HG1 VAL 65 1HG1 VAL 65 -10.516 2.011 -12.908 500 1HG2 VAL 65 3HG2 VAL 65 -13.014 3.858 -15.834 501 2HG2 VAL 65 1HG2 VAL 65 -11.272 4.205 -15.715 502 3HG2 VAL 65 2HG2 VAL 65 -11.827 2.671 -16.427 503 H GLY 66 H GLY 66 -13.062 -0.801 -14.894 504 1HA GLY 66 2HA GLY 66 -14.824 -1.138 -16.825 505 2HA GLY 66 1HA GLY 66 -13.212 -1.815 -16.940 506 H HIS 67 H HIS 67 -11.512 -0.596 -18.102 507 HA HIS 67 HA HIS 67 -12.222 1.748 -19.520 508 1HB HIS 67 1HB HIS 67 -9.864 -0.123 -19.528 509 2HB HIS 67 2HB HIS 67 -10.007 1.128 -20.746 510 HD1 HIS 67 HD1 HIS 67 -9.541 0.660 -17.017 511 HD2 HIS 67 HD2 HIS 67 -9.485 3.740 -19.865 512 HE1 HIS 67 HE1 HIS 67 -8.584 2.708 -15.836 513 HE2 HIS 67 HE2 HIS 67 -8.524 4.552 -17.650 514 H SER 68 H SER 68 -11.507 1.575 -22.101 515 HA SER 68 HA SER 68 -13.421 -0.367 -23.110 516 1HB SER 68 1HB SER 68 -13.926 1.127 -24.841 517 2HB SER 68 2HB SER 68 -13.601 2.218 -23.509 518 HG SER 68 HG SER 68 -11.999 3.059 -24.639 519 H THR 69 H THR 69 -12.888 -1.453 -25.217 520 HA THR 69 HA THR 69 -10.368 -2.635 -25.158 521 HB THR 69 HB THR 69 -12.667 -2.448 -27.137 522 HG1 THR 69 HG1 THR 69 -12.651 -4.737 -26.437 523 1HG2 THR 69 3HG2 THR 69 -9.896 -3.571 -27.573 524 2HG2 THR 69 1HG2 THR 69 -11.284 -4.546 -28.113 525 3HG2 THR 69 2HG2 THR 69 -11.040 -2.908 -28.766 526 H ASP 70 H ASP 70 -11.428 0.425 -26.509 527 HA ASP 70 HA ASP 70 -9.359 0.608 -28.397 528 1HB ASP 70 1HB ASP 70 -11.476 1.958 -28.442 529 2HB ASP 70 2HB ASP 70 -10.962 2.800 -26.993 530 H ALA 71 H ALA 71 -9.929 1.836 -25.028 531 HA ALA 71 HA ALA 71 -7.620 3.344 -24.765 532 1HB ALA 71 1HB ALA 71 -8.011 2.729 -22.258 533 2HB ALA 71 2HB ALA 71 -9.276 3.631 -23.126 534 3HB ALA 71 3HB ALA 71 -9.456 1.880 -22.860 535 H ARG 72 H ARG 72 -8.250 -0.148 -24.015 536 HA ARG 72 HA ARG 72 -5.749 -0.666 -23.017 537 1HB ARG 72 1HB ARG 72 -7.486 -2.604 -24.622 538 2HB ARG 72 2HB ARG 72 -6.287 -3.039 -23.419 539 1HG ARG 72 1HG ARG 72 -7.615 -1.901 -21.651 540 2HG ARG 72 2HG ARG 72 -8.795 -1.392 -22.842 541 1HD ARG 72 1HD ARG 72 -8.463 -4.233 -23.153 542 2HD ARG 72 2HD ARG 72 -8.627 -3.922 -21.436 543 HE ARG 72 HE ARG 72 -10.584 -2.458 -23.043 544 1HH1 ARG 72 2HH1 ARG 72 -12.783 -3.050 -22.852 545 2HH1 ARG 72 1HH1 ARG 72 -13.213 -4.555 -22.109 546 1HH2 ARG 72 2HH2 ARG 72 -9.889 -5.521 -21.457 547 2HH2 ARG 72 1HH2 ARG 72 -11.555 -5.970 -21.312 548 H GLU 73 H GLU 73 -7.039 -0.741 -26.385 549 HA GLU 73 HA GLU 73 -4.801 -1.906 -27.537 550 1HB GLU 73 1HB GLU 73 -7.265 -1.293 -28.435 551 2HB GLU 73 2HB GLU 73 -6.422 0.099 -29.086 552 1HG GLU 73 1HG GLU 73 -4.667 -1.760 -29.899 553 2HG GLU 73 2HG GLU 73 -6.049 -2.825 -29.741 554 H LEU 74 H LEU 74 -5.735 1.550 -27.016 555 HA LEU 74 HA LEU 74 -3.632 2.712 -28.374 556 1HB LEU 74 1HB LEU 74 -4.551 4.593 -27.662 557 2HB LEU 74 2HB LEU 74 -5.801 3.569 -26.983 558 HG LEU 74 HG LEU 74 -4.000 3.567 -24.936 559 1HD1 LEU 74 3HD1 LEU 74 -3.652 6.157 -26.439 560 2HD1 LEU 74 1HD1 LEU 74 -3.424 6.059 -24.676 561 3HD1 LEU 74 2HD1 LEU 74 -2.415 5.070 -25.761 562 1HD2 LEU 74 3HD2 LEU 74 -6.549 4.795 -25.545 563 2HD2 LEU 74 1HD2 LEU 74 -5.943 4.120 -24.013 564 3HD2 LEU 74 2HD2 LEU 74 -5.595 5.813 -24.439 565 H SER 75 H SER 75 -3.800 1.254 -25.112 566 HA SER 75 HA SER 75 -1.413 2.268 -24.170 567 1HB SER 75 1HB SER 75 -1.981 -0.491 -23.296 568 2HB SER 75 2HB SER 75 -1.883 0.981 -22.350 569 HG SER 75 HG SER 75 -4.035 0.087 -22.326 570 H LYS 76 H LYS 76 -2.188 -0.632 -26.162 571 HA LYS 76 HA LYS 76 0.384 -1.751 -26.066 572 1HB LYS 76 1HB LYS 76 -0.466 -3.348 -27.455 573 2HB LYS 76 2HB LYS 76 -1.966 -2.692 -26.831 574 1HG LYS 76 1HG LYS 76 -2.549 -2.387 -29.014 575 2HG LYS 76 2HG LYS 76 -1.479 -1.001 -28.975 576 1HD LYS 76 1HD LYS 76 0.355 -2.247 -29.912 577 2HD LYS 76 2HD LYS 76 -0.421 -3.786 -29.597 578 1HE LYS 76 1HE LYS 76 -2.334 -2.696 -31.185 579 2HE LYS 76 2HE LYS 76 -0.957 -1.800 -31.793 580 1HZ LYS 76 1HZ LYS 76 -0.873 -4.712 -31.498 581 2HZ LYS 76 2HZ LYS 76 -1.444 -4.001 -32.854 582 3HZ LYS 76 3HZ LYS 76 0.105 -3.761 -32.396 583 H THR 77 H THR 77 -0.609 1.222 -27.261 584 HA THR 77 HA THR 77 1.012 1.228 -29.645 585 HB THR 77 HB THR 77 -1.211 2.576 -28.934 586 HG1 THR 77 HG1 THR 77 -0.417 2.994 -30.984 587 1HG2 THR 77 3HG2 THR 77 0.262 3.767 -27.074 588 2HG2 THR 77 1HG2 THR 77 0.939 4.668 -28.452 589 3HG2 THR 77 2HG2 THR 77 -0.803 4.760 -28.097 590 H PHE 78 H PHE 78 1.288 2.340 -26.242 591 HA PHE 78 HA PHE 78 4.056 3.082 -26.871 592 1HB PHE 78 1HB PHE 78 1.842 4.291 -25.413 593 2HB PHE 78 2HB PHE 78 3.089 3.906 -24.243 594 HD1 PHE 78 HD1 PHE 78 5.046 5.218 -24.076 595 HD2 PHE 78 HD2 PHE 78 2.432 5.765 -27.374 596 HE1 PHE 78 HE1 PHE 78 6.293 7.300 -24.720 597 HE2 PHE 78 HE2 PHE 78 3.679 7.846 -28.017 598 HZ PHE 78 HZ PHE 78 5.594 8.588 -26.682 599 H ILE 79 H ILE 79 2.665 0.364 -26.118 600 HA ILE 79 HA ILE 79 3.371 -0.350 -23.553 601 HB ILE 79 HB ILE 79 2.642 -1.665 -26.050 602 1HG1 ILE 79 1HG1 ILE 79 2.086 -2.160 -23.113 603 2HG1 ILE 79 2HG1 ILE 79 1.054 -1.331 -24.261 604 1HG2 ILE 79 2HG2 ILE 79 4.588 -3.015 -24.182 605 2HG2 ILE 79 3HG2 ILE 79 3.422 -3.937 -25.163 606 3HG2 ILE 79 1HG2 ILE 79 4.630 -2.898 -25.959 607 1HD1 ILE 79 1HD1 ILE 79 1.521 -3.772 -25.533 608 2HD1 ILE 79 2HD1 ILE 79 1.412 -4.225 -23.815 609 3HD1 ILE 79 3HD1 ILE 79 0.068 -3.355 -24.592 610 H ILE 80 H ILE 80 5.266 -0.668 -22.498 611 HA ILE 80 HA ILE 80 7.688 -0.361 -24.068 612 HB ILE 80 HB ILE 80 8.306 -0.640 -21.351 613 1HG1 ILE 80 1HG1 ILE 80 5.796 1.013 -21.741 614 2HG1 ILE 80 2HG1 ILE 80 5.959 -0.429 -20.760 615 1HG2 ILE 80 3HG2 ILE 80 9.399 0.824 -22.994 616 2HG2 ILE 80 1HG2 ILE 80 7.961 1.875 -23.005 617 3HG2 ILE 80 2HG2 ILE 80 8.928 1.704 -21.521 618 1HD1 ILE 80 1HD1 ILE 80 7.652 0.733 -19.331 619 2HD1 ILE 80 2HD1 ILE 80 7.443 2.203 -20.314 620 3HD1 ILE 80 3HD1 ILE 80 6.088 1.583 -19.341 621 H GLY 81 H GLY 81 5.935 -2.741 -22.044 622 1HA GLY 81 2HA GLY 81 7.987 -4.650 -21.851 623 2HA GLY 81 1HA GLY 81 7.090 -4.948 -23.326 624 H GLU 82 H GLU 82 7.290 -6.360 -20.564 625 HA GLU 82 HA GLU 82 4.577 -6.125 -19.655 626 1HB GLU 82 1HB GLU 82 5.359 -8.943 -20.248 627 2HB GLU 82 2HB GLU 82 3.784 -8.181 -20.330 628 1HG GLU 82 1HG GLU 82 4.375 -7.060 -22.444 629 2HG GLU 82 2HG GLU 82 6.022 -7.652 -22.339 630 H LEU 83 H LEU 83 4.216 -7.584 -17.666 631 HA LEU 83 HA LEU 83 6.501 -7.301 -15.982 632 1HB LEU 83 1HB LEU 83 4.010 -6.957 -15.444 633 2HB LEU 83 2HB LEU 83 3.930 -8.701 -15.291 634 HG LEU 83 HG LEU 83 4.345 -8.257 -13.124 635 1HD1 LEU 83 1HD1 LEU 83 7.116 -8.083 -14.323 636 2HD1 LEU 83 2HD1 LEU 83 6.808 -8.195 -12.573 637 3HD1 LEU 83 3HD1 LEU 83 6.287 -9.509 -13.656 638 1HD2 LEU 83 3HD2 LEU 83 5.599 -5.671 -14.050 639 2HD2 LEU 83 1HD2 LEU 83 4.082 -5.918 -13.153 640 3HD2 LEU 83 2HD2 LEU 83 5.647 -6.208 -12.354 641 H HIS 84 H HIS 84 8.145 -8.717 -15.808 642 HA HIS 84 HA HIS 84 8.046 -11.203 -17.098 643 1HB HIS 84 1HB HIS 84 9.988 -9.520 -15.925 644 2HB HIS 84 2HB HIS 84 10.117 -11.052 -15.085 645 HD1 HIS 84 HD1 HIS 84 12.538 -10.941 -16.441 646 HD2 HIS 84 HD2 HIS 84 9.087 -11.763 -18.678 647 HE1 HIS 84 HE1 HIS 84 13.335 -11.981 -18.629 648 HE2 HIS 84 HE2 HIS 84 11.170 -12.516 -19.938 649 HA PRO 85 HA PRO 85 6.899 -13.926 -13.906 650 1HB PRO 85 1HB PRO 85 8.897 -15.755 -13.540 651 2HB PRO 85 2HB PRO 85 7.777 -15.816 -14.887 652 1HG PRO 85 1HG PRO 85 10.609 -14.969 -14.870 653 2HG PRO 85 2HG PRO 85 9.613 -15.440 -16.232 654 1HD PRO 85 1HD PRO 85 10.359 -12.770 -15.490 655 2HD PRO 85 2HD PRO 85 9.269 -13.234 -16.782 656 H ASP 86 H ASP 86 8.820 -11.575 -13.181 657 HA ASP 86 HA ASP 86 9.823 -12.485 -10.700 658 1HB ASP 86 1HB ASP 86 11.105 -10.685 -11.296 659 2HB ASP 86 2HB ASP 86 9.848 -10.019 -12.321 660 H ASP 87 H ASP 87 6.856 -11.016 -11.962 661 HA ASP 87 HA ASP 87 5.432 -11.537 -9.663 662 1HB ASP 87 1HB ASP 87 6.548 -8.746 -9.928 663 2HB ASP 87 2HB ASP 87 4.908 -8.912 -9.329 664 H ARG 88 H ARG 88 4.914 -12.175 -12.251 665 HA ARG 88 HA ARG 88 3.282 -10.086 -13.380 666 1HB ARG 88 1HB ARG 88 3.151 -11.596 -15.366 667 2HB ARG 88 2HB ARG 88 4.812 -11.302 -14.897 668 1HG ARG 88 1HG ARG 88 4.630 -13.488 -13.495 669 2HG ARG 88 2HG ARG 88 3.147 -13.797 -14.377 670 1HD ARG 88 1HD ARG 88 4.490 -13.505 -16.547 671 2HD ARG 88 2HD ARG 88 5.941 -13.457 -15.564 672 HE ARG 88 HE ARG 88 4.251 -15.778 -14.986 673 1HH1 ARG 88 2HH1 ARG 88 5.053 -17.844 -15.539 674 2HH1 ARG 88 1HH1 ARG 88 6.406 -17.991 -16.611 675 1HH2 ARG 88 2HH2 ARG 88 6.794 -14.520 -17.069 676 2HH2 ARG 88 1HH2 ARG 88 7.403 -16.086 -17.487 677 H SER 89 H SER 89 3.061 -13.597 -12.449 678 HA SER 89 HA SER 89 0.256 -13.610 -12.774 679 1HB SER 89 1HB SER 89 1.613 -15.647 -13.078 680 2HB SER 89 2HB SER 89 2.149 -15.576 -11.411 681 HG SER 89 HG SER 89 0.322 -17.080 -11.882 682 H LYS 90 H LYS 90 2.044 -11.936 -10.618 683 HA LYS 90 HA LYS 90 0.366 -12.607 -8.312 684 1HB LYS 90 1HB LYS 90 3.134 -11.586 -8.656 685 2HB LYS 90 2HB LYS 90 2.218 -10.877 -7.341 686 1HG LYS 90 1HG LYS 90 1.714 -13.121 -6.429 687 2HG LYS 90 2HG LYS 90 2.509 -13.885 -7.789 688 1HD LYS 90 1HD LYS 90 4.552 -13.658 -6.824 689 2HD LYS 90 2HD LYS 90 4.309 -11.942 -6.570 690 1HE LYS 90 1HE LYS 90 3.523 -12.224 -4.398 691 2HE LYS 90 2HE LYS 90 2.786 -13.775 -4.745 692 1HZ LYS 90 1HZ LYS 90 5.078 -14.661 -4.911 693 2HZ LYS 90 2HZ LYS 90 5.643 -13.233 -4.355 694 3HZ LYS 90 3HZ LYS 90 4.668 -14.147 -3.416 695 H ILE 91 H ILE 91 0.300 -10.679 -11.003 696 HA ILE 91 HA ILE 91 -1.375 -8.749 -9.614 697 HB ILE 91 HB ILE 91 -0.294 -6.863 -10.298 698 1HG1 ILE 91 1HG1 ILE 91 1.142 -8.496 -12.411 699 2HG1 ILE 91 2HG1 ILE 91 -0.185 -7.381 -12.675 700 1HG2 ILE 91 2HG2 ILE 91 1.054 -8.118 -8.634 701 2HG2 ILE 91 3HG2 ILE 91 2.036 -8.767 -9.969 702 3HG2 ILE 91 1HG2 ILE 91 2.017 -7.017 -9.649 703 1HD1 ILE 91 1HD1 ILE 91 1.590 -5.776 -11.290 704 2HD1 ILE 91 2HD1 ILE 91 2.692 -6.819 -12.218 705 3HD1 ILE 91 3HD1 ILE 91 1.465 -5.848 -13.064 706 H THR 92 H THR 92 -0.077 -10.082 -12.708 707 HA THR 92 HA THR 92 -1.586 -9.184 -14.629 708 HB THR 92 HB THR 92 -0.076 -11.244 -14.630 709 HG1 THR 92 HG1 THR 92 -2.786 -11.488 -15.739 710 1HG2 THR 92 3HG2 THR 92 -1.380 -12.483 -12.796 711 2HG2 THR 92 1HG2 THR 92 -2.695 -12.688 -13.979 712 3HG2 THR 92 2HG2 THR 92 -1.105 -13.429 -14.279 713 H LYS 93 H LYS 93 -2.955 -11.534 -12.231 714 HA LYS 93 HA LYS 93 -5.585 -10.472 -12.997 715 1HB LYS 93 1HB LYS 93 -4.947 -12.917 -13.634 716 2HB LYS 93 2HB LYS 93 -5.173 -13.258 -11.931 717 1HG LYS 93 1HG LYS 93 -7.473 -12.122 -12.120 718 2HG LYS 93 2HG LYS 93 -7.232 -12.090 -13.855 719 1HD LYS 93 1HD LYS 93 -6.907 -14.598 -13.818 720 2HD LYS 93 2HD LYS 93 -7.262 -14.592 -12.102 721 1HE LYS 93 1HE LYS 93 -9.479 -13.346 -12.789 722 2HE LYS 93 2HE LYS 93 -9.124 -13.920 -14.407 723 1HZ LYS 93 1HZ LYS 93 -8.777 -16.053 -12.699 724 2HZ LYS 93 2HZ LYS 93 -10.186 -15.348 -12.266 725 3HZ LYS 93 3HZ LYS 93 -9.960 -15.847 -13.805 726 HA PRO 94 HA PRO 94 -5.362 -9.276 -8.782 727 1HB PRO 94 1HB PRO 94 -7.420 -7.480 -8.856 728 2HB PRO 94 2HB PRO 94 -5.767 -7.060 -9.260 729 1HG PRO 94 1HG PRO 94 -8.068 -7.478 -11.068 730 2HG PRO 94 2HG PRO 94 -6.552 -6.661 -11.392 731 1HD PRO 94 1HD PRO 94 -7.302 -9.292 -12.253 732 2HD PRO 94 2HD PRO 94 -5.745 -8.520 -12.477 733 H SER 95 H SER 95 -7.346 -8.736 -7.080 734 HA SER 95 HA SER 95 -9.459 -10.569 -7.488 735 1HB SER 95 1HB SER 95 -7.553 -12.097 -6.822 736 2HB SER 95 2HB SER 95 -7.446 -11.241 -5.297 737 HG SER 95 HG SER 95 -10.024 -11.874 -5.533 738 H GLU 96 H GLU 96 -11.164 -9.475 -6.593 739 HA GLU 96 HA GLU 96 -11.024 -8.577 -3.932 740 1HB GLU 96 1HB GLU 96 -9.944 -6.733 -5.645 741 2HB GLU 96 2HB GLU 96 -11.627 -6.247 -5.701 742 1HG GLU 96 1HG GLU 96 -11.409 -5.234 -3.687 743 2HG GLU 96 2HG GLU 96 -11.012 -6.773 -2.947 744 H SER 97 H SER 97 -13.160 -7.850 -3.148 745 HA SER 97 HA SER 97 -15.255 -8.416 -5.095 746 1HB SER 97 1HB SER 97 -16.570 -9.432 -3.197 747 2HB SER 97 2HB SER 97 -15.138 -10.342 -3.636 748 HG SER 97 HG SER 97 -15.716 -9.632 -1.220 749 H ILE 98 H ILE 98 -17.390 -7.360 -4.534 750 HA ILE 98 HA ILE 98 -17.144 -5.152 -2.654 751 HB ILE 98 HB ILE 98 -16.380 -4.407 -4.934 752 1HG1 ILE 98 1HG1 ILE 98 -18.713 -2.708 -4.466 753 2HG1 ILE 98 2HG1 ILE 98 -17.888 -3.127 -2.977 754 1HG2 ILE 98 1HG2 ILE 98 -18.745 -5.711 -5.758 755 2HG2 ILE 98 2HG2 ILE 98 -19.002 -3.971 -6.029 756 3HG2 ILE 98 3HG2 ILE 98 -17.593 -4.785 -6.750 757 1HD1 ILE 98 2HD1 ILE 98 -16.064 -2.410 -5.213 758 2HD1 ILE 98 3HD1 ILE 98 -17.116 -1.087 -4.653 759 3HD1 ILE 98 1HD1 ILE 98 -16.026 -1.905 -3.507 760 H ILE 99 H ILE 99 -19.225 -4.321 -1.956 761 HA ILE 99 HA ILE 99 -21.484 -5.988 -2.786 762 HB ILE 99 HB ILE 99 -20.445 -6.869 -0.700 763 1HG1 ILE 99 1HG1 ILE 99 -23.239 -5.793 -0.254 764 2HG1 ILE 99 2HG1 ILE 99 -22.886 -7.098 -1.369 765 1HG2 ILE 99 1HG2 ILE 99 -19.764 -4.622 0.187 766 2HG2 ILE 99 2HG2 ILE 99 -21.472 -4.337 0.602 767 3HG2 ILE 99 3HG2 ILE 99 -20.582 -5.680 1.362 768 1HD1 ILE 99 1HD1 ILE 99 -21.554 -7.619 1.162 769 2HD1 ILE 99 2HD1 ILE 99 -23.281 -7.288 1.442 770 3HD1 ILE 99 3HD1 ILE 99 -22.794 -8.590 0.330 771 H THR 100 H THR 100 -23.617 -4.964 -2.016 772 HA THR 100 HA THR 100 -23.337 -2.033 -1.992 773 HB THR 100 HB THR 100 -23.948 -2.968 -4.272 774 HG1 THR 100 HG1 THR 100 -25.928 -1.554 -4.284 775 1HG2 THR 100 3HG2 THR 100 -26.193 -4.131 -2.599 776 2HG2 THR 100 1HG2 THR 100 -26.553 -3.564 -4.249 777 3HG2 THR 100 2HG2 THR 100 -25.349 -4.849 -3.992 778 H THR 101 H THR 101 -25.291 -0.897 -1.145 779 HA THR 101 HA THR 101 -26.842 -2.569 0.690 780 HB THR 101 HB THR 101 -25.006 -0.235 1.390 781 HG1 THR 101 HG1 THR 101 -24.236 -1.917 2.788 782 1HG2 THR 101 2HG2 THR 101 -27.598 -0.515 2.438 783 2HG2 THR 101 3HG2 THR 101 -26.589 -1.439 3.578 784 3HG2 THR 101 1HG2 THR 101 -26.233 0.276 3.261 785 H ILE 102 H ILE 102 -26.353 0.941 -0.096 786 HA ILE 102 HA ILE 102 -28.789 1.135 -1.468 787 HB ILE 102 HB ILE 102 -29.582 0.703 0.897 788 1HG1 ILE 102 1HG1 ILE 102 -30.673 3.349 0.120 789 2HG1 ILE 102 2HG1 ILE 102 -30.662 2.136 -1.145 790 1HG2 ILE 102 2HG2 ILE 102 -28.413 3.466 1.298 791 2HG2 ILE 102 3HG2 ILE 102 -29.617 2.725 2.377 792 3HG2 ILE 102 1HG2 ILE 102 -28.018 1.971 2.178 793 1HD1 ILE 102 3HD1 ILE 102 -31.742 1.567 1.646 794 2HD1 ILE 102 1HD1 ILE 102 -32.759 2.182 0.321 795 3HD1 ILE 102 2HD1 ILE 102 -31.967 0.594 0.173 796 H ASP 103 H ASP 103 -29.350 3.564 -1.804 797 HA ASP 103 HA ASP 103 -27.462 5.472 -1.120 798 1HB ASP 103 1HB ASP 103 -26.463 5.841 -3.410 799 2HB ASP 103 2HB ASP 103 -25.920 4.368 -2.628 800 H SER 104 H SER 104 -28.150 7.591 -1.983 801 HA SER 104 HA SER 104 -29.938 7.863 -4.065 802 1HB SER 104 1HB SER 104 -32.065 8.093 -3.075 803 2HB SER 104 2HB SER 104 -31.410 6.671 -2.285 804 HG SER 104 HG SER 104 -32.407 8.699 -1.030 No H/Q in entry = 804
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