NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26197 | 2kg6 | 16196 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 13.030 -4.386 7.381 2 H2 MET 1 H2 MET 1 13.782 -2.907 7.655 3 H3 MET 1 H3 MET 1 14.328 -4.275 8.485 4 HA MET 1 HA MET 1 15.836 -3.762 6.685 5 HB2 MET 1 HB2 MET 1 14.033 -6.096 5.972 6 HB3 MET 1 HB3 MET 1 15.634 -5.823 5.312 7 HG2 MET 1 HG2 MET 1 15.001 -6.341 8.204 8 HG3 MET 1 HG3 MET 1 15.577 -7.544 7.054 9 HE1 MET 1 HE1 MET 1 17.551 -8.176 8.691 10 HE2 MET 1 HE2 MET 1 16.963 -6.982 9.846 11 HE3 MET 1 HE3 MET 1 18.667 -7.000 9.386 12 H ALA 2 H ALA 2 16.095 -3.635 4.322 13 HA ALA 2 HA ALA 2 13.831 -2.232 3.087 14 HB1 ALA 2 HB1 ALA 2 15.482 -1.401 1.492 15 HB2 ALA 2 HB2 ALA 2 16.737 -2.376 2.260 16 HB3 ALA 2 HB3 ALA 2 15.979 -1.049 3.149 17 H THR 3 H THR 3 13.985 -5.100 3.388 18 HA THR 3 HA THR 3 14.624 -6.390 0.931 19 HB THR 3 HB THR 3 12.727 -7.272 3.121 20 HG1 THR 3 HG1 THR 3 15.445 -6.886 3.147 21 HG21 THR 3 HG21 THR 3 13.391 -9.528 2.412 22 HG22 THR 3 HG22 THR 3 14.419 -8.834 1.155 23 HG23 THR 3 HG23 THR 3 12.669 -8.633 1.075 24 H LEU 4 H LEU 4 13.463 -6.183 -0.863 25 HA LEU 4 HA LEU 4 11.216 -4.774 -1.407 26 HB2 LEU 4 HB2 LEU 4 11.951 -7.394 -2.717 27 HB3 LEU 4 HB3 LEU 4 10.864 -6.198 -3.388 28 HG LEU 4 HG LEU 4 13.826 -5.836 -2.918 29 HD11 LEU 4 HD11 LEU 4 12.246 -6.157 -5.459 30 HD12 LEU 4 HD12 LEU 4 13.349 -7.345 -4.755 31 HD13 LEU 4 HD13 LEU 4 13.971 -5.807 -5.354 32 HD21 LEU 4 HD21 LEU 4 12.608 -3.736 -2.643 33 HD22 LEU 4 HD22 LEU 4 11.809 -3.987 -4.192 34 HD23 LEU 4 HD23 LEU 4 13.552 -3.725 -4.132 35 H LEU 5 H LEU 5 9.044 -5.075 -1.486 36 HA LEU 5 HA LEU 5 8.102 -6.932 0.531 37 HB2 LEU 5 HB2 LEU 5 6.690 -4.628 -0.782 38 HB3 LEU 5 HB3 LEU 5 6.076 -5.595 0.538 39 HG LEU 5 HG LEU 5 8.330 -3.623 0.587 40 HD11 LEU 5 HD11 LEU 5 6.949 -2.565 2.296 41 HD12 LEU 5 HD12 LEU 5 5.722 -3.811 2.066 42 HD13 LEU 5 HD13 LEU 5 6.109 -2.698 0.752 43 HD21 LEU 5 HD21 LEU 5 7.496 -5.551 2.755 44 HD22 LEU 5 HD22 LEU 5 8.640 -4.223 2.946 45 HD23 LEU 5 HD23 LEU 5 9.022 -5.574 1.877 46 H THR 6 H THR 6 6.255 -8.100 0.244 47 HA THR 6 HA THR 6 5.824 -8.928 -2.512 48 HB THR 6 HB THR 6 4.954 -11.020 -1.478 49 HG1 THR 6 HG1 THR 6 5.863 -9.764 0.955 50 HG21 THR 6 HG21 THR 6 7.769 -10.261 -0.659 51 HG22 THR 6 HG22 THR 6 7.290 -10.906 -2.228 52 HG23 THR 6 HG23 THR 6 7.147 -11.907 -0.782 53 H THR 7 H THR 7 3.509 -10.038 -2.566 54 HA THR 7 HA THR 7 1.490 -8.183 -2.502 55 HB THR 7 HB THR 7 1.333 -11.194 -2.224 56 HG1 THR 7 HG1 THR 7 1.070 -10.538 -4.743 57 HG21 THR 7 HG21 THR 7 -0.836 -10.039 -1.933 58 HG22 THR 7 HG22 THR 7 -0.793 -10.944 -3.444 59 HG23 THR 7 HG23 THR 7 -0.579 -9.192 -3.458 60 H ASP 8 H ASP 8 2.337 -10.690 -0.110 61 HA ASP 8 HA ASP 8 0.219 -10.142 1.658 62 HB2 ASP 8 HB2 ASP 8 1.517 -12.262 1.666 63 HB3 ASP 8 HB3 ASP 8 2.870 -11.389 2.381 64 H ASP 9 H ASP 9 3.437 -8.735 1.427 65 HA ASP 9 HA ASP 9 3.418 -7.428 3.969 66 HB2 ASP 9 HB2 ASP 9 4.804 -6.604 1.409 67 HB3 ASP 9 HB3 ASP 9 5.029 -5.762 2.927 68 H LEU 10 H LEU 10 2.405 -6.496 0.785 69 HA LEU 10 HA LEU 10 1.493 -3.904 1.380 70 HB2 LEU 10 HB2 LEU 10 1.947 -4.742 -0.878 71 HB3 LEU 10 HB3 LEU 10 0.613 -5.863 -0.737 72 HG LEU 10 HG LEU 10 -0.946 -3.953 -0.632 73 HD11 LEU 10 HD11 LEU 10 1.516 -2.305 -1.202 74 HD12 LEU 10 HD12 LEU 10 0.565 -2.273 0.284 75 HD13 LEU 10 HD13 LEU 10 -0.149 -1.723 -1.228 76 HD21 LEU 10 HD21 LEU 10 -0.501 -5.071 -2.717 77 HD22 LEU 10 HD22 LEU 10 0.909 -4.049 -2.993 78 HD23 LEU 10 HD23 LEU 10 -0.710 -3.341 -2.995 79 H ARG 11 H ARG 11 -0.130 -7.028 1.180 80 HA ARG 11 HA ARG 11 -2.737 -6.477 1.838 81 HB2 ARG 11 HB2 ARG 11 -2.029 -8.685 1.257 82 HB3 ARG 11 HB3 ARG 11 -0.968 -8.768 2.654 83 HG2 ARG 11 HG2 ARG 11 -3.022 -8.635 4.084 84 HG3 ARG 11 HG3 ARG 11 -3.964 -8.836 2.602 85 HD2 ARG 11 HD2 ARG 11 -2.852 -10.921 2.137 86 HD3 ARG 11 HD3 ARG 11 -1.826 -10.716 3.554 87 HE ARG 11 HE ARG 11 -4.681 -10.738 4.026 88 HH11 ARG 11 HH11 ARG 11 -1.602 -12.505 4.152 89 HH12 ARG 11 HH12 ARG 11 -2.211 -13.815 5.019 90 HH21 ARG 11 HH21 ARG 11 -5.524 -12.458 5.208 91 HH22 ARG 11 HH22 ARG 11 -4.596 -13.839 5.623 92 H ARG 12 H ARG 12 -0.102 -7.202 4.095 93 HA ARG 12 HA ARG 12 -1.391 -7.022 6.546 94 HB2 ARG 12 HB2 ARG 12 1.405 -6.096 5.878 95 HB3 ARG 12 HB3 ARG 12 0.808 -6.407 7.498 96 HG2 ARG 12 HG2 ARG 12 0.608 -8.752 7.022 97 HG3 ARG 12 HG3 ARG 12 1.019 -8.476 5.322 98 HD2 ARG 12 HD2 ARG 12 3.189 -7.571 6.024 99 HD3 ARG 12 HD3 ARG 12 2.784 -7.935 7.695 100 HE ARG 12 HE ARG 12 2.679 -10.185 5.893 101 HH11 ARG 12 HH11 ARG 12 4.662 -8.247 8.106 102 HH12 ARG 12 HH12 ARG 12 5.826 -9.437 8.404 103 HH21 ARG 12 HH21 ARG 12 4.336 -11.885 6.289 104 HH22 ARG 12 HH22 ARG 12 5.623 -11.557 7.369 105 H ALA 13 H ALA 13 0.191 -4.459 4.708 106 HA ALA 13 HA ALA 13 -0.366 -2.393 6.556 107 HB1 ALA 13 HB1 ALA 13 0.348 -0.872 4.796 108 HB2 ALA 13 HB2 ALA 13 0.256 -2.178 3.615 109 HB3 ALA 13 HB3 ALA 13 1.446 -2.246 4.915 110 H LEU 14 H LEU 14 -2.027 -3.558 3.674 111 HA LEU 14 HA LEU 14 -3.995 -1.535 3.646 112 HB2 LEU 14 HB2 LEU 14 -3.978 -4.271 2.398 113 HB3 LEU 14 HB3 LEU 14 -5.254 -3.099 2.147 114 HG LEU 14 HG LEU 14 -2.363 -2.743 1.352 115 HD11 LEU 14 HD11 LEU 14 -3.216 -2.918 -0.928 116 HD12 LEU 14 HD12 LEU 14 -4.830 -3.248 -0.298 117 HD13 LEU 14 HD13 LEU 14 -3.517 -4.392 -0.007 118 HD21 LEU 14 HD21 LEU 14 -4.769 -0.994 0.844 119 HD22 LEU 14 HD22 LEU 14 -3.153 -0.745 0.186 120 HD23 LEU 14 HD23 LEU 14 -3.427 -0.621 1.926 121 H VAL 15 H VAL 15 -3.710 -4.352 5.562 122 HA VAL 15 HA VAL 15 -6.483 -4.379 6.384 123 HB VAL 15 HB VAL 15 -4.019 -5.591 7.721 124 HG11 VAL 15 HG11 VAL 15 -5.844 -5.273 9.316 125 HG12 VAL 15 HG12 VAL 15 -5.601 -6.986 8.973 126 HG13 VAL 15 HG13 VAL 15 -6.948 -6.122 8.234 127 HG21 VAL 15 HG21 VAL 15 -6.110 -6.873 5.961 128 HG22 VAL 15 HG22 VAL 15 -4.794 -7.718 6.781 129 HG23 VAL 15 HG23 VAL 15 -4.435 -6.544 5.514 130 H GLU 16 H GLU 16 -3.423 -3.402 7.796 131 HA GLU 16 HA GLU 16 -4.305 -2.231 10.150 132 HB2 GLU 16 HB2 GLU 16 -1.885 -1.697 8.465 133 HB3 GLU 16 HB3 GLU 16 -2.141 -0.977 10.051 134 HG2 GLU 16 HG2 GLU 16 -2.055 -3.927 9.490 135 HG3 GLU 16 HG3 GLU 16 -0.712 -2.968 10.118 136 H SER 17 H SER 17 -3.997 -0.769 6.957 137 HA SER 17 HA SER 17 -4.500 1.878 7.953 138 HB2 SER 17 HB2 SER 17 -4.537 0.908 5.102 139 HB3 SER 17 HB3 SER 17 -4.317 2.567 5.672 140 HG SER 17 HG SER 17 -2.590 0.361 6.001 141 H ALA 18 H ALA 18 -6.432 -0.769 6.932 142 HA ALA 18 HA ALA 18 -8.677 0.738 6.030 143 HB1 ALA 18 HB1 ALA 18 -8.247 -1.532 5.220 144 HB2 ALA 18 HB2 ALA 18 -9.831 -1.418 5.989 145 HB3 ALA 18 HB3 ALA 18 -8.484 -2.162 6.850 146 H GLY 19 H GLY 19 -7.921 -1.098 8.979 147 HA2 GLY 19 HA2 GLY 19 -8.774 0.685 10.800 148 HA3 GLY 19 HA3 GLY 19 -10.273 -0.065 10.269 149 H GLU 20 H GLU 20 -10.880 -1.869 11.184 150 HA GLU 20 HA GLU 20 -9.065 -3.718 12.383 151 HB2 GLU 20 HB2 GLU 20 -9.217 -1.921 14.111 152 HB3 GLU 20 HB3 GLU 20 -10.957 -2.149 14.156 153 HG2 GLU 20 HG2 GLU 20 -10.597 -4.472 14.892 154 HG3 GLU 20 HG3 GLU 20 -8.862 -4.156 14.935 155 H THR 21 H THR 21 -10.051 -5.690 12.543 156 HA THR 21 HA THR 21 -11.537 -7.367 12.153 157 HB THR 21 HB THR 21 -13.726 -5.440 13.032 158 HG1 THR 21 HG1 THR 21 -11.531 -6.455 14.408 159 HG21 THR 21 HG21 THR 21 -13.318 -8.419 13.449 160 HG22 THR 21 HG22 THR 21 -14.424 -7.702 12.283 161 HG23 THR 21 HG23 THR 21 -14.707 -7.487 14.012 162 H ASP 22 H ASP 22 -10.815 -6.473 9.943 163 HA ASP 22 HA ASP 22 -12.831 -5.098 8.426 164 HB2 ASP 22 HB2 ASP 22 -10.163 -6.178 7.522 165 HB3 ASP 22 HB3 ASP 22 -11.198 -5.058 6.634 166 H GLY 23 H GLY 23 -14.482 -6.296 8.023 167 HA2 GLY 23 HA2 GLY 23 -14.287 -9.034 7.198 168 HA3 GLY 23 HA3 GLY 23 -15.757 -8.063 7.297 169 H THR 24 H THR 24 -12.960 -8.749 5.451 170 HA THR 24 HA THR 24 -14.389 -8.312 3.002 171 HB THR 24 HB THR 24 -13.423 -6.051 3.498 172 HG1 THR 24 HG1 THR 24 -12.300 -5.769 1.562 173 HG21 THR 24 HG21 THR 24 -10.984 -5.712 3.487 174 HG22 THR 24 HG22 THR 24 -10.744 -7.458 3.415 175 HG23 THR 24 HG23 THR 24 -11.494 -6.730 4.837 176 H ASP 25 H ASP 25 -12.395 -8.687 1.243 177 HA ASP 25 HA ASP 25 -10.805 -10.956 2.144 178 HB2 ASP 25 HB2 ASP 25 -12.741 -11.969 1.083 179 HB3 ASP 25 HB3 ASP 25 -12.607 -10.886 -0.292 180 H LEU 26 H LEU 26 -8.886 -10.065 1.983 181 HA LEU 26 HA LEU 26 -8.175 -8.771 -0.527 182 HB2 LEU 26 HB2 LEU 26 -8.900 -7.105 1.210 183 HB3 LEU 26 HB3 LEU 26 -7.570 -7.649 2.204 184 HG LEU 26 HG LEU 26 -5.999 -6.871 0.429 185 HD11 LEU 26 HD11 LEU 26 -8.518 -5.712 -0.761 186 HD12 LEU 26 HD12 LEU 26 -7.534 -6.996 -1.465 187 HD13 LEU 26 HD13 LEU 26 -6.869 -5.373 -1.294 188 HD21 LEU 26 HD21 LEU 26 -6.286 -4.500 0.937 189 HD22 LEU 26 HD22 LEU 26 -6.514 -5.501 2.369 190 HD23 LEU 26 HD23 LEU 26 -7.914 -4.824 1.535 191 H SER 27 H SER 27 -7.112 -10.780 -0.871 192 HA SER 27 HA SER 27 -4.391 -10.732 -0.070 193 HB2 SER 27 HB2 SER 27 -5.531 -11.974 1.863 194 HB3 SER 27 HB3 SER 27 -5.995 -13.198 0.678 195 HG SER 27 HG SER 27 -4.105 -14.046 1.088 196 H GLY 28 H GLY 28 -3.685 -13.275 -1.002 197 HA2 GLY 28 HA2 GLY 28 -3.539 -14.590 -2.883 198 HA3 GLY 28 HA3 GLY 28 -5.096 -13.947 -3.403 199 H ASP 29 H ASP 29 -5.151 -12.462 -4.923 200 HA ASP 29 HA ASP 29 -2.824 -10.834 -5.394 201 HB2 ASP 29 HB2 ASP 29 -2.486 -12.620 -7.020 202 HB3 ASP 29 HB3 ASP 29 -4.131 -12.417 -7.623 203 H PHE 30 H PHE 30 -4.115 -9.433 -4.345 204 HA PHE 30 HA PHE 30 -6.548 -8.474 -5.567 205 HB2 PHE 30 HB2 PHE 30 -6.517 -6.858 -3.647 206 HB3 PHE 30 HB3 PHE 30 -6.528 -8.553 -3.185 207 HD1 PHE 30 HD1 PHE 30 -4.435 -5.540 -3.441 208 HD2 PHE 30 HD2 PHE 30 -4.728 -9.498 -1.934 209 HE1 PHE 30 HE1 PHE 30 -2.453 -5.152 -2.049 210 HE2 PHE 30 HE2 PHE 30 -2.748 -9.115 -0.540 211 HZ PHE 30 HZ PHE 30 -1.596 -6.998 -0.596 212 H LEU 31 H LEU 31 -3.488 -8.085 -6.496 213 HA LEU 31 HA LEU 31 -2.880 -5.454 -6.433 214 HB2 LEU 31 HB2 LEU 31 -2.037 -7.758 -8.079 215 HB3 LEU 31 HB3 LEU 31 -1.531 -6.160 -8.551 216 HG LEU 31 HG LEU 31 -0.449 -5.865 -6.329 217 HD11 LEU 31 HD11 LEU 31 -1.833 -7.341 -5.000 218 HD12 LEU 31 HD12 LEU 31 -0.126 -7.768 -4.850 219 HD13 LEU 31 HD13 LEU 31 -1.192 -8.739 -5.863 220 HD21 LEU 31 HD21 LEU 31 0.892 -6.657 -8.183 221 HD22 LEU 31 HD22 LEU 31 0.427 -8.324 -7.825 222 HD23 LEU 31 HD23 LEU 31 1.406 -7.419 -6.675 223 H ASP 32 H ASP 32 -5.195 -6.966 -8.578 224 HA ASP 32 HA ASP 32 -5.132 -4.577 -10.256 225 HB2 ASP 32 HB2 ASP 32 -6.379 -7.276 -10.696 226 HB3 ASP 32 HB3 ASP 32 -6.763 -5.891 -11.706 227 H LEU 33 H LEU 33 -6.640 -5.370 -7.504 228 HA LEU 33 HA LEU 33 -9.295 -4.502 -8.250 229 HB2 LEU 33 HB2 LEU 33 -8.093 -4.973 -5.521 230 HB3 LEU 33 HB3 LEU 33 -9.789 -4.701 -5.863 231 HG LEU 33 HG LEU 33 -8.163 -7.106 -6.679 232 HD11 LEU 33 HD11 LEU 33 -10.409 -6.771 -4.719 233 HD12 LEU 33 HD12 LEU 33 -8.710 -7.054 -4.327 234 HD13 LEU 33 HD13 LEU 33 -9.648 -8.304 -5.155 235 HD21 LEU 33 HD21 LEU 33 -9.821 -6.566 -8.390 236 HD22 LEU 33 HD22 LEU 33 -11.083 -6.500 -7.160 237 HD23 LEU 33 HD23 LEU 33 -10.274 -8.028 -7.514 238 H ARG 34 H ARG 34 -9.881 -2.368 -8.292 239 HA ARG 34 HA ARG 34 -7.944 -0.383 -7.776 240 HB2 ARG 34 HB2 ARG 34 -10.362 -0.582 -9.144 241 HB3 ARG 34 HB3 ARG 34 -10.665 0.568 -7.857 242 HG2 ARG 34 HG2 ARG 34 -8.692 1.861 -8.548 243 HG3 ARG 34 HG3 ARG 34 -8.485 0.667 -9.847 244 HD2 ARG 34 HD2 ARG 34 -10.575 1.303 -10.842 245 HD3 ARG 34 HD3 ARG 34 -10.945 2.366 -9.486 246 HE ARG 34 HE ARG 34 -8.522 3.192 -10.642 247 HH11 ARG 34 HH11 ARG 34 -11.978 3.229 -11.324 248 HH12 ARG 34 HH12 ARG 34 -11.898 4.529 -12.424 249 HH21 ARG 34 HH21 ARG 34 -8.388 4.951 -12.011 250 HH22 ARG 34 HH22 ARG 34 -9.746 5.560 -12.858 251 H PHE 35 H PHE 35 -7.739 0.981 -6.101 252 HA PHE 35 HA PHE 35 -8.394 0.261 -3.543 253 HB2 PHE 35 HB2 PHE 35 -7.707 2.972 -4.642 254 HB3 PHE 35 HB3 PHE 35 -7.968 2.702 -2.925 255 HD1 PHE 35 HD2 PHE 35 -6.539 0.838 -1.835 256 HD2 PHE 35 HD1 PHE 35 -5.593 2.687 -5.545 257 HE1 PHE 35 HE2 PHE 35 -4.194 0.153 -1.572 258 HE2 PHE 35 HE1 PHE 35 -3.246 2.010 -5.287 259 HZ PHE 35 HZ PHE 35 -2.543 0.742 -3.296 260 H GLU 36 H GLU 36 -10.198 2.479 -5.593 261 HA GLU 36 HA GLU 36 -12.124 3.341 -3.813 262 HB2 GLU 36 HB2 GLU 36 -13.559 3.777 -5.723 263 HB3 GLU 36 HB3 GLU 36 -11.903 4.246 -6.062 264 HG2 GLU 36 HG2 GLU 36 -11.575 2.351 -7.467 265 HG3 GLU 36 HG3 GLU 36 -13.118 1.653 -6.972 266 H ASP 37 H ASP 37 -11.858 0.213 -5.314 267 HA ASP 37 HA ASP 37 -14.628 -0.466 -4.822 268 HB2 ASP 37 HB2 ASP 37 -13.242 -1.287 -6.804 269 HB3 ASP 37 HB3 ASP 37 -12.412 -2.336 -5.665 270 H ILE 38 H ILE 38 -11.486 -0.940 -3.423 271 HA ILE 38 HA ILE 38 -12.532 -2.896 -1.534 272 HB ILE 38 HB ILE 38 -10.178 -3.213 -0.787 273 HG12 ILE 38 HG12 ILE 38 -9.508 -1.362 -3.093 274 HG13 ILE 38 HG13 ILE 38 -9.345 -0.944 -1.394 275 HG21 ILE 38 HG21 ILE 38 -9.431 -4.380 -2.814 276 HG22 ILE 38 HG22 ILE 38 -10.677 -3.534 -3.735 277 HG23 ILE 38 HG23 ILE 38 -11.137 -4.663 -2.460 278 HD11 ILE 38 HD11 ILE 38 -7.822 -3.094 -2.858 279 HD12 ILE 38 HD12 ILE 38 -7.653 -2.706 -1.146 280 HD13 ILE 38 HD13 ILE 38 -7.199 -1.517 -2.367 281 H GLY 39 H GLY 39 -13.117 -0.006 -1.444 282 HA2 GLY 39 HA2 GLY 39 -13.810 1.322 0.328 283 HA3 GLY 39 HA3 GLY 39 -13.084 0.158 1.421 284 H TYR 40 H TYR 40 -11.063 1.463 -1.044 285 HA TYR 40 HA TYR 40 -9.828 3.126 0.993 286 HB2 TYR 40 HB2 TYR 40 -8.645 1.495 -1.196 287 HB3 TYR 40 HB3 TYR 40 -7.851 3.002 -0.776 288 HD1 TYR 40 HD1 TYR 40 -9.375 0.102 0.956 289 HD2 TYR 40 HD2 TYR 40 -6.155 2.860 0.793 290 HE1 TYR 40 HE1 TYR 40 -8.289 -1.078 2.795 291 HE2 TYR 40 HE2 TYR 40 -5.055 1.688 2.649 292 HH TYR 40 HH TYR 40 -5.505 0.172 4.381 293 H ASP 41 H ASP 41 -10.486 5.000 0.887 294 HA ASP 41 HA ASP 41 -11.363 6.359 -1.442 295 HB2 ASP 41 HB2 ASP 41 -12.098 6.874 0.891 296 HB3 ASP 41 HB3 ASP 41 -10.453 7.447 1.191 297 H SER 42 H SER 42 -8.630 7.232 0.672 298 HA SER 42 HA SER 42 -6.525 6.839 -0.992 299 HB2 SER 42 HB2 SER 42 -5.910 9.137 -1.775 300 HB3 SER 42 HB3 SER 42 -7.294 8.441 -2.619 301 H LEU 43 H LEU 43 -7.895 8.780 1.532 302 HA LEU 43 HA LEU 43 -5.431 9.576 2.594 303 HB2 LEU 43 HB2 LEU 43 -8.124 9.286 3.931 304 HB3 LEU 43 HB3 LEU 43 -6.716 9.941 4.736 305 HG LEU 43 HG LEU 43 -6.653 11.642 2.827 306 HD11 LEU 43 HD11 LEU 43 -8.162 10.766 1.253 307 HD12 LEU 43 HD12 LEU 43 -8.852 12.256 1.889 308 HD13 LEU 43 HD13 LEU 43 -9.460 10.699 2.446 309 HD21 LEU 43 HD21 LEU 43 -8.225 13.127 3.982 310 HD22 LEU 43 HD22 LEU 43 -7.169 12.250 5.091 311 HD23 LEU 43 HD23 LEU 43 -8.845 11.738 4.874 312 H ALA 44 H ALA 44 -7.510 6.834 3.348 313 HA ALA 44 HA ALA 44 -5.743 5.598 5.180 314 HB1 ALA 44 HB1 ALA 44 -7.058 3.562 4.786 315 HB2 ALA 44 HB2 ALA 44 -7.806 4.314 3.375 316 HB3 ALA 44 HB3 ALA 44 -8.113 4.961 4.984 317 H LEU 45 H LEU 45 -5.887 5.727 1.760 318 HA LEU 45 HA LEU 45 -4.154 3.581 1.102 319 HB2 LEU 45 HB2 LEU 45 -5.788 4.778 -0.362 320 HB3 LEU 45 HB3 LEU 45 -4.751 6.161 -0.414 321 HG LEU 45 HG LEU 45 -4.328 3.435 -1.663 322 HD11 LEU 45 HD11 LEU 45 -4.746 6.165 -2.839 323 HD12 LEU 45 HD12 LEU 45 -5.912 4.843 -2.793 324 HD13 LEU 45 HD13 LEU 45 -4.444 4.690 -3.756 325 HD21 LEU 45 HD21 LEU 45 -2.460 5.811 -1.786 326 HD22 LEU 45 HD22 LEU 45 -2.294 4.307 -2.696 327 HD23 LEU 45 HD23 LEU 45 -2.146 4.299 -0.937 328 H MET 46 H MET 46 -3.682 7.050 1.708 329 HA MET 46 HA MET 46 -0.859 7.092 1.402 330 HB2 MET 46 HB2 MET 46 -2.654 8.909 3.023 331 HB3 MET 46 HB3 MET 46 -0.948 9.205 2.725 332 HG2 MET 46 HG2 MET 46 -1.392 9.293 0.342 333 HG3 MET 46 HG3 MET 46 -3.107 9.008 0.681 334 HE1 MET 46 HE1 MET 46 -3.605 10.745 3.268 335 HE2 MET 46 HE2 MET 46 -4.694 10.760 1.881 336 HE3 MET 46 HE3 MET 46 -4.125 12.279 2.572 337 H GLU 47 H GLU 47 -2.991 6.525 4.090 338 HA GLU 47 HA GLU 47 -1.252 6.375 6.236 339 HB2 GLU 47 HB2 GLU 47 -3.687 6.293 6.273 340 HB3 GLU 47 HB3 GLU 47 -3.663 4.702 5.573 341 HG2 GLU 47 HG2 GLU 47 -4.103 4.442 7.910 342 HG3 GLU 47 HG3 GLU 47 -2.488 3.834 7.575 343 H THR 48 H THR 48 -2.126 3.905 3.846 344 HA THR 48 HA THR 48 -0.674 1.712 4.779 345 HB THR 48 HB THR 48 -1.236 2.558 1.921 346 HG1 THR 48 HG1 THR 48 -2.825 1.761 3.951 347 HG21 THR 48 HG21 THR 48 -0.728 -0.186 3.095 348 HG22 THR 48 HG22 THR 48 0.383 0.714 2.063 349 HG23 THR 48 HG23 THR 48 -1.157 0.149 1.416 350 H ALA 49 H ALA 49 0.184 4.088 2.299 351 HA ALA 49 HA ALA 49 2.797 3.267 1.811 352 HB1 ALA 49 HB1 ALA 49 1.546 4.775 0.347 353 HB2 ALA 49 HB2 ALA 49 3.114 5.455 0.785 354 HB3 ALA 49 HB3 ALA 49 1.648 6.042 1.569 355 H ALA 50 H ALA 50 1.594 5.755 4.044 356 HA ALA 50 HA ALA 50 4.046 6.703 4.971 357 HB1 ALA 50 HB1 ALA 50 1.910 7.851 5.330 358 HB2 ALA 50 HB2 ALA 50 2.798 7.640 6.837 359 HB3 ALA 50 HB3 ALA 50 1.430 6.591 6.465 360 H ARG 51 H ARG 51 2.046 4.057 6.179 361 HA ARG 51 HA ARG 51 3.695 3.517 8.414 362 HB2 ARG 51 HB2 ARG 51 1.756 1.717 6.968 363 HB3 ARG 51 HB3 ARG 51 2.550 1.302 8.483 364 HG2 ARG 51 HG2 ARG 51 1.545 3.281 9.523 365 HG3 ARG 51 HG3 ARG 51 0.697 3.613 8.017 366 HD2 ARG 51 HD2 ARG 51 -0.414 1.426 8.203 367 HD3 ARG 51 HD3 ARG 51 0.392 1.180 9.758 368 HE ARG 51 HE ARG 51 -1.126 3.616 9.451 369 HH11 ARG 51 HH11 ARG 51 -0.976 0.369 10.891 370 HH12 ARG 51 HH12 ARG 51 -2.382 0.589 11.821 371 HH21 ARG 51 HH21 ARG 51 -2.954 3.922 10.784 372 HH22 ARG 51 HH22 ARG 51 -3.541 2.669 11.788 373 H LEU 52 H LEU 52 3.678 2.288 5.138 374 HA LEU 52 HA LEU 52 5.757 0.420 5.598 375 HB2 LEU 52 HB2 LEU 52 4.911 1.677 2.974 376 HB3 LEU 52 HB3 LEU 52 5.926 0.255 3.163 377 HG LEU 52 HG LEU 52 3.023 0.446 3.953 378 HD11 LEU 52 HD11 LEU 52 3.343 0.385 1.543 379 HD12 LEU 52 HD12 LEU 52 2.650 -1.126 2.136 380 HD13 LEU 52 HD13 LEU 52 4.361 -1.047 1.717 381 HD21 LEU 52 HD21 LEU 52 4.927 -1.892 4.043 382 HD22 LEU 52 HD22 LEU 52 3.191 -1.953 4.375 383 HD23 LEU 52 HD23 LEU 52 4.258 -1.038 5.437 384 H GLU 53 H GLU 53 5.693 3.814 4.759 385 HA GLU 53 HA GLU 53 8.322 4.245 3.991 386 HB2 GLU 53 HB2 GLU 53 6.478 5.987 5.562 387 HB3 GLU 53 HB3 GLU 53 8.039 6.556 4.997 388 HG2 GLU 53 HG2 GLU 53 7.223 6.081 2.665 389 HG3 GLU 53 HG3 GLU 53 5.640 5.758 3.365 390 H SER 54 H SER 54 7.023 4.675 7.276 391 HA SER 54 HA SER 54 9.548 5.111 8.409 392 HB2 SER 54 HB2 SER 54 8.255 4.678 10.584 393 HB3 SER 54 HB3 SER 54 7.706 6.003 9.560 394 HG SER 54 HG SER 54 5.866 5.048 9.620 395 H ARG 55 H ARG 55 7.587 2.223 8.159 396 HA ARG 55 HA ARG 55 9.208 0.576 9.754 397 HB2 ARG 55 HB2 ARG 55 6.940 -0.021 9.397 398 HB3 ARG 55 HB3 ARG 55 7.152 -0.036 7.662 399 HG2 ARG 55 HG2 ARG 55 8.401 -2.059 7.751 400 HG3 ARG 55 HG3 ARG 55 8.511 -1.981 9.513 401 HD2 ARG 55 HD2 ARG 55 5.865 -2.106 8.091 402 HD3 ARG 55 HD3 ARG 55 6.765 -3.563 8.510 403 HE ARG 55 HE ARG 55 6.457 -3.136 10.743 404 HH11 ARG 55 HH11 ARG 55 4.783 -0.634 8.825 405 HH12 ARG 55 HH12 ARG 55 3.836 -0.093 10.140 406 HH21 ARG 55 HH21 ARG 55 5.063 -2.415 12.478 407 HH22 ARG 55 HH22 ARG 55 3.987 -1.124 12.265 408 H TYR 56 H TYR 56 9.166 0.913 6.180 409 HA TYR 56 HA TYR 56 11.424 -0.941 6.161 410 HB2 TYR 56 HB2 TYR 56 9.582 -0.150 3.912 411 HB3 TYR 56 HB3 TYR 56 10.948 -1.255 3.755 412 HD1 TYR 56 HD2 TYR 56 10.929 -3.245 5.516 413 HD2 TYR 56 HD1 TYR 56 7.480 -1.075 4.307 414 HE1 TYR 56 HE2 TYR 56 9.511 -5.123 6.217 415 HE2 TYR 56 HE1 TYR 56 6.053 -2.939 5.007 416 HH TYR 56 HH TYR 56 6.442 -5.562 5.286 417 H GLY 57 H GLY 57 10.974 2.337 6.036 418 HA2 GLY 57 HA2 GLY 57 12.707 3.885 5.897 419 HA3 GLY 57 HA3 GLY 57 13.724 2.657 5.158 420 H VAL 58 H VAL 58 10.550 3.445 3.982 421 HA VAL 58 HA VAL 58 11.803 4.477 1.525 422 HB VAL 58 HB VAL 58 9.886 3.819 0.235 423 HG11 VAL 58 HG11 VAL 58 10.527 1.663 2.166 424 HG12 VAL 58 HG12 VAL 58 11.435 2.049 0.691 425 HG13 VAL 58 HG13 VAL 58 9.773 1.423 0.592 426 HG21 VAL 58 HG21 VAL 58 8.095 4.391 1.798 427 HG22 VAL 58 HG22 VAL 58 8.521 3.009 2.803 428 HG23 VAL 58 HG23 VAL 58 7.892 2.754 1.176 429 H SER 59 H SER 59 10.193 6.065 0.293 430 HA SER 59 HA SER 59 8.534 7.487 2.148 431 HB2 SER 59 HB2 SER 59 10.832 8.630 2.079 432 HB3 SER 59 HB3 SER 59 10.458 9.032 0.398 433 HG SER 59 HG SER 59 8.565 9.534 2.363 434 H ILE 60 H ILE 60 6.739 8.277 1.170 435 HA ILE 60 HA ILE 60 6.540 7.856 -1.736 436 HB ILE 60 HB ILE 60 4.437 7.109 0.326 437 HG12 ILE 60 HG12 ILE 60 6.254 5.468 0.231 438 HG13 ILE 60 HG13 ILE 60 4.770 4.788 -0.425 439 HG21 ILE 60 HG21 ILE 60 3.118 6.238 -1.555 440 HG22 ILE 60 HG22 ILE 60 4.316 6.874 -2.684 441 HG23 ILE 60 HG23 ILE 60 3.379 7.979 -1.680 442 HD11 ILE 60 HD11 ILE 60 6.706 4.135 -1.744 443 HD12 ILE 60 HD12 ILE 60 7.104 5.831 -2.020 444 HD13 ILE 60 HD13 ILE 60 5.623 5.153 -2.694 445 HA PRO 61 HA PRO 61 5.233 12.115 -1.408 446 HB2 PRO 61 HB2 PRO 61 4.635 11.737 -4.281 447 HB3 PRO 61 HB3 PRO 61 5.695 12.918 -3.499 448 HG2 PRO 61 HG2 PRO 61 6.713 10.871 -4.878 449 HG3 PRO 61 HG3 PRO 61 7.476 11.440 -3.383 450 HD2 PRO 61 HD2 PRO 61 5.692 9.073 -3.812 451 HD3 PRO 61 HD3 PRO 61 7.186 9.196 -2.857 452 H ASP 62 H ASP 62 3.409 13.145 -1.281 453 HA ASP 62 HA ASP 62 1.057 11.911 -0.545 454 HB2 ASP 62 HB2 ASP 62 1.735 14.102 0.184 455 HB3 ASP 62 HB3 ASP 62 1.572 14.734 -1.447 456 H ASP 63 H ASP 63 1.702 13.659 -3.549 457 HA ASP 63 HA ASP 63 -0.980 13.363 -4.521 458 HB2 ASP 63 HB2 ASP 63 1.511 14.278 -5.972 459 HB3 ASP 63 HB3 ASP 63 -0.114 14.358 -6.630 460 H VAL 64 H VAL 64 1.802 11.481 -4.670 461 HA VAL 64 HA VAL 64 1.123 9.898 -7.028 462 HB VAL 64 HB VAL 64 3.007 9.295 -4.752 463 HG11 VAL 64 HG11 VAL 64 4.123 7.821 -6.404 464 HG12 VAL 64 HG12 VAL 64 2.884 8.236 -7.587 465 HG13 VAL 64 HG13 VAL 64 2.447 7.346 -6.128 466 HG21 VAL 64 HG21 VAL 64 4.805 10.164 -6.202 467 HG22 VAL 64 HG22 VAL 64 3.627 11.404 -5.777 468 HG23 VAL 64 HG23 VAL 64 3.590 10.666 -7.378 469 H ALA 65 H ALA 65 1.016 9.483 -3.536 470 HA ALA 65 HA ALA 65 -0.172 6.957 -3.512 471 HB1 ALA 65 HB1 ALA 65 0.806 7.978 -1.524 472 HB2 ALA 65 HB2 ALA 65 -0.872 7.514 -1.221 473 HB3 ALA 65 HB3 ALA 65 -0.459 9.206 -1.534 474 H GLY 66 H GLY 66 -1.596 10.190 -3.656 475 HA2 GLY 66 HA2 GLY 66 -4.273 9.050 -3.855 476 HA3 GLY 66 HA3 GLY 66 -3.870 10.763 -3.809 477 H ARG 67 H ARG 67 -2.571 8.286 -5.899 478 HA ARG 67 HA ARG 67 -3.852 9.489 -8.274 479 HB2 ARG 67 HB2 ARG 67 -1.640 10.522 -8.049 480 HB3 ARG 67 HB3 ARG 67 -0.896 8.933 -7.999 481 HG2 ARG 67 HG2 ARG 67 -1.709 8.536 -10.300 482 HG3 ARG 67 HG3 ARG 67 -2.319 10.196 -10.323 483 HD2 ARG 67 HD2 ARG 67 0.556 9.360 -9.923 484 HD3 ARG 67 HD3 ARG 67 -0.125 10.051 -11.395 485 HE ARG 67 HE ARG 67 -0.709 11.968 -9.742 486 HH11 ARG 67 HH11 ARG 67 2.340 10.119 -9.848 487 HH12 ARG 67 HH12 ARG 67 3.294 11.413 -9.272 488 HH21 ARG 67 HH21 ARG 67 0.635 13.729 -8.924 489 HH22 ARG 67 HH22 ARG 67 2.298 13.490 -8.684 490 H VAL 68 H VAL 68 -2.091 6.846 -6.792 491 HA VAL 68 HA VAL 68 -2.200 5.127 -9.040 492 HB VAL 68 HB VAL 68 -1.495 3.347 -7.314 493 HG11 VAL 68 HG11 VAL 68 0.106 4.564 -8.726 494 HG12 VAL 68 HG12 VAL 68 0.754 4.277 -7.111 495 HG13 VAL 68 HG13 VAL 68 0.147 5.879 -7.545 496 HG21 VAL 68 HG21 VAL 68 -0.729 4.175 -5.152 497 HG22 VAL 68 HG22 VAL 68 -2.460 4.511 -5.335 498 HG23 VAL 68 HG23 VAL 68 -1.266 5.796 -5.580 499 H ASP 69 H ASP 69 -3.484 3.418 -9.465 500 HA ASP 69 HA ASP 69 -6.204 3.742 -8.442 501 HB2 ASP 69 HB2 ASP 69 -5.166 2.170 -10.807 502 HB3 ASP 69 HB3 ASP 69 -6.855 2.424 -10.396 503 H THR 70 H THR 70 -3.744 1.361 -8.973 504 HA THR 70 HA THR 70 -5.328 -0.601 -7.474 505 HB THR 70 HB THR 70 -4.022 -2.305 -8.820 506 HG1 THR 70 HG1 THR 70 -3.062 0.085 -9.931 507 HG21 THR 70 HG21 THR 70 -5.839 -0.415 -10.328 508 HG22 THR 70 HG22 THR 70 -6.361 -1.768 -9.324 509 HG23 THR 70 HG23 THR 70 -5.459 -2.069 -10.810 510 HA PRO 71 HA PRO 71 -2.178 -0.929 -4.402 511 HB2 PRO 71 HB2 PRO 71 -2.470 -3.884 -4.599 512 HB3 PRO 71 HB3 PRO 71 -2.669 -2.823 -3.206 513 HG2 PRO 71 HG2 PRO 71 -4.784 -3.879 -4.401 514 HG3 PRO 71 HG3 PRO 71 -4.819 -2.209 -3.798 515 HD2 PRO 71 HD2 PRO 71 -4.471 -3.213 -6.589 516 HD3 PRO 71 HD3 PRO 71 -5.429 -1.842 -5.999 517 H ARG 72 H ARG 72 -1.958 -2.880 -7.271 518 HA ARG 72 HA ARG 72 0.586 -3.972 -7.219 519 HB2 ARG 72 HB2 ARG 72 -1.071 -4.227 -9.065 520 HB3 ARG 72 HB3 ARG 72 -0.712 -2.583 -9.575 521 HG2 ARG 72 HG2 ARG 72 1.727 -3.414 -9.717 522 HG3 ARG 72 HG3 ARG 72 0.997 -5.020 -9.729 523 HD2 ARG 72 HD2 ARG 72 0.428 -2.782 -11.651 524 HD3 ARG 72 HD3 ARG 72 1.413 -4.203 -11.974 525 HE ARG 72 HE ARG 72 -1.416 -4.561 -11.288 526 HH11 ARG 72 HH11 ARG 72 1.215 -4.811 -13.642 527 HH12 ARG 72 HH12 ARG 72 0.256 -5.485 -14.866 528 HH21 ARG 72 HH21 ARG 72 -2.787 -5.564 -13.041 529 HH22 ARG 72 HH22 ARG 72 -2.016 -5.927 -14.495 530 H GLU 73 H GLU 73 -0.429 -0.775 -8.277 531 HA GLU 73 HA GLU 73 2.065 0.260 -9.042 532 HB2 GLU 73 HB2 GLU 73 -0.466 1.650 -8.204 533 HB3 GLU 73 HB3 GLU 73 0.858 2.370 -9.119 534 HG2 GLU 73 HG2 GLU 73 0.432 0.990 -10.988 535 HG3 GLU 73 HG3 GLU 73 -0.685 -0.017 -10.068 536 H LEU 74 H LEU 74 0.203 0.422 -6.071 537 HA LEU 74 HA LEU 74 1.872 2.320 -4.763 538 HB2 LEU 74 HB2 LEU 74 -0.521 1.797 -4.197 539 HB3 LEU 74 HB3 LEU 74 -0.003 0.269 -3.526 540 HG LEU 74 HG LEU 74 -0.577 1.979 -1.824 541 HD11 LEU 74 HD11 LEU 74 1.363 1.757 -0.372 542 HD12 LEU 74 HD12 LEU 74 2.319 1.182 -1.740 543 HD13 LEU 74 HD13 LEU 74 0.949 0.236 -1.162 544 HD21 LEU 74 HD21 LEU 74 0.108 3.973 -2.995 545 HD22 LEU 74 HD22 LEU 74 1.798 3.475 -2.910 546 HD23 LEU 74 HD23 LEU 74 0.920 3.878 -1.431 547 H LEU 75 H LEU 75 1.675 -1.211 -4.714 548 HA LEU 75 HA LEU 75 3.762 -1.757 -2.939 549 HB2 LEU 75 HB2 LEU 75 2.175 -3.440 -3.793 550 HB3 LEU 75 HB3 LEU 75 2.917 -3.329 -5.374 551 HG LEU 75 HG LEU 75 5.018 -4.225 -4.429 552 HD11 LEU 75 HD11 LEU 75 5.006 -5.216 -2.191 553 HD12 LEU 75 HD12 LEU 75 3.393 -4.564 -1.912 554 HD13 LEU 75 HD13 LEU 75 4.760 -3.471 -2.138 555 HD21 LEU 75 HD21 LEU 75 4.224 -6.524 -4.124 556 HD22 LEU 75 HD22 LEU 75 3.411 -5.729 -5.473 557 HD23 LEU 75 HD23 LEU 75 2.574 -5.926 -3.932 558 H ASP 76 H ASP 76 3.780 -1.119 -6.393 559 HA ASP 76 HA ASP 76 6.540 -1.667 -6.791 560 HB2 ASP 76 HB2 ASP 76 4.885 -1.714 -8.636 561 HB3 ASP 76 HB3 ASP 76 4.712 0.032 -8.499 562 H LEU 77 H LEU 77 4.746 1.220 -5.971 563 HA LEU 77 HA LEU 77 6.787 3.141 -6.200 564 HB2 LEU 77 HB2 LEU 77 4.556 2.975 -4.168 565 HB3 LEU 77 HB3 LEU 77 5.548 4.386 -4.436 566 HG LEU 77 HG LEU 77 3.682 3.190 -6.483 567 HD11 LEU 77 HD11 LEU 77 3.364 5.595 -4.691 568 HD12 LEU 77 HD12 LEU 77 2.467 4.081 -4.569 569 HD13 LEU 77 HD13 LEU 77 2.261 5.115 -5.982 570 HD21 LEU 77 HD21 LEU 77 4.043 5.301 -7.661 571 HD22 LEU 77 HD22 LEU 77 5.556 4.416 -7.454 572 HD23 LEU 77 HD23 LEU 77 5.194 5.798 -6.421 573 H ILE 78 H ILE 78 5.820 1.051 -3.547 574 HA ILE 78 HA ILE 78 7.737 1.887 -1.647 575 HB ILE 78 HB ILE 78 6.451 -0.850 -1.887 576 HG12 ILE 78 HG12 ILE 78 4.734 0.912 -1.802 577 HG13 ILE 78 HG13 ILE 78 4.739 -0.043 -0.326 578 HG21 ILE 78 HG21 ILE 78 6.857 -1.004 0.536 579 HG22 ILE 78 HG22 ILE 78 7.682 0.551 0.484 580 HG23 ILE 78 HG23 ILE 78 8.355 -0.831 -0.380 581 HD11 ILE 78 HD11 ILE 78 4.423 2.316 0.150 582 HD12 ILE 78 HD12 ILE 78 5.935 2.697 -0.673 583 HD13 ILE 78 HD13 ILE 78 5.957 1.747 0.813 584 H ASN 79 H ASN 79 7.622 -0.979 -3.751 585 HA ASN 79 HA ASN 79 10.162 -1.924 -3.094 586 HB2 ASN 79 HB2 ASN 79 8.413 -2.497 -5.475 587 HB3 ASN 79 HB3 ASN 79 10.008 -3.231 -5.304 588 HD21 ASN 79 HD21 ASN 79 7.421 -4.582 -5.277 589 HD22 ASN 79 HD22 ASN 79 7.341 -5.372 -3.748 590 H GLY 80 H GLY 80 9.248 0.340 -5.608 591 HA2 GLY 80 HA2 GLY 80 11.747 0.497 -6.881 592 HA3 GLY 80 HA3 GLY 80 10.549 1.787 -6.818 593 H ALA 81 H ALA 81 10.421 2.150 -4.079 594 HA ALA 81 HA ALA 81 12.686 3.811 -3.619 595 HB1 ALA 81 HB1 ALA 81 11.640 4.315 -1.467 596 HB2 ALA 81 HB2 ALA 81 10.504 2.988 -1.698 597 HB3 ALA 81 HB3 ALA 81 10.453 4.389 -2.771 598 H LEU 82 H LEU 82 11.639 0.680 -2.420 599 HA LEU 82 HA LEU 82 13.680 0.310 -0.524 600 HB2 LEU 82 HB2 LEU 82 12.059 -1.683 -2.083 601 HB3 LEU 82 HB3 LEU 82 13.256 -2.167 -0.903 602 HG LEU 82 HG LEU 82 10.816 -0.493 -0.308 603 HD11 LEU 82 HD11 LEU 82 10.276 -2.810 -0.891 604 HD12 LEU 82 HD12 LEU 82 10.024 -2.497 0.832 605 HD13 LEU 82 HD13 LEU 82 11.464 -3.363 0.292 606 HD21 LEU 82 HD21 LEU 82 12.885 -1.732 1.497 607 HD22 LEU 82 HD22 LEU 82 11.432 -0.883 2.024 608 HD23 LEU 82 HD23 LEU 82 12.701 -0.013 1.160 609 H ALA 83 H ALA 83 13.575 -0.426 -3.961 610 HA ALA 83 HA ALA 83 16.085 -1.673 -4.092 611 HB1 ALA 83 HB1 ALA 83 14.693 -0.068 -6.242 612 HB2 ALA 83 HB2 ALA 83 14.442 -1.784 -5.914 613 HB3 ALA 83 HB3 ALA 83 16.009 -1.216 -6.492 614 H GLU 84 H GLU 84 15.156 1.684 -4.043 615 HA GLU 84 HA GLU 84 17.806 2.682 -4.616 616 HB2 GLU 84 HB2 GLU 84 15.392 4.124 -3.494 617 HB3 GLU 84 HB3 GLU 84 16.869 4.888 -4.059 618 HG2 GLU 84 HG2 GLU 84 14.923 3.326 -5.734 619 HG3 GLU 84 HG3 GLU 84 15.100 5.080 -5.694 620 H ALA 85 H ALA 85 16.087 1.606 -1.878 621 HA ALA 85 HA ALA 85 17.817 2.994 0.015 622 HB1 ALA 85 HB1 ALA 85 15.416 1.227 0.505 623 HB2 ALA 85 HB2 ALA 85 15.403 2.989 0.448 624 HB3 ALA 85 HB3 ALA 85 16.289 2.155 1.725 625 H ALA 86 H ALA 86 18.140 0.416 -1.790 626 HA ALA 86 HA ALA 86 19.070 -1.446 0.219 627 HB1 ALA 86 HB1 ALA 86 19.081 -1.645 -2.797 628 HB2 ALA 86 HB2 ALA 86 17.864 -2.335 -1.723 629 HB3 ALA 86 HB3 ALA 86 19.520 -2.940 -1.682 630 H28 SXA 87 H28A SXA 87 -7.679 13.205 -0.704 631 H28A SXA 87 H28B SXA 87 -6.435 12.079 -0.156 632 H30 SXA 87 H30A SXA 87 -4.113 12.575 -0.354 633 H30A SXA 87 H30B SXA 87 -3.545 13.988 -1.241 634 H30B SXA 87 H30C SXA 87 -4.324 12.659 -2.103 635 H31 SXA 87 H31A SXA 87 -5.953 14.263 -3.100 636 H31A SXA 87 H31B SXA 87 -5.240 15.619 -2.224 637 H31B SXA 87 H31C SXA 87 -6.958 15.263 -2.050 638 H32 SXA 87 H32A SXA 87 -5.236 14.123 1.142 639 HO33 SXA 87 H33A SXA 87 -7.352 15.726 0.242 640 HN36 SXA 87 H36A SXA 87 -3.211 15.305 -0.205 641 H37 SXA 87 H37A SXA 87 -2.832 17.661 -1.136 642 H37A SXA 87 H37B SXA 87 -3.584 18.174 0.370 643 H38 SXA 87 H38A SXA 87 -0.997 16.638 0.100 644 H38A SXA 87 H38B SXA 87 -1.139 18.352 0.430 645 HN41 SXA 87 H41A SXA 87 -3.576 16.890 2.071 646 H42 SXA 87 H42A SXA 87 -2.163 15.933 4.390 647 H42A SXA 87 H42B SXA 87 -3.031 17.452 4.618 648 H43 SXA 87 H43A SXA 87 -4.244 14.848 3.673 649 H43A SXA 87 H43B SXA 87 -5.124 16.357 3.974 650 H2 SXA 87 H2C SXA 87 -5.597 16.266 8.458 651 H2A SXA 87 H2A SXA 87 -4.948 17.910 8.489 652 H2B SXA 87 H2B SXA 87 -3.850 16.524 8.548 Start of MODEL 2 1 H1 MET 1 H1 MET 1 21.692 -5.292 -1.289 2 H2 MET 1 H2 MET 1 21.332 -4.745 0.263 3 H3 MET 1 H3 MET 1 20.667 -3.957 -1.039 4 HA MET 1 HA MET 1 19.400 -5.984 -1.569 5 HB2 MET 1 HB2 MET 1 20.638 -6.906 1.033 6 HB3 MET 1 HB3 MET 1 19.204 -7.641 0.342 7 HG2 MET 1 HG2 MET 1 20.498 -8.244 -1.649 8 HG3 MET 1 HG3 MET 1 21.934 -7.544 -0.905 9 HE1 MET 1 HE1 MET 1 19.726 -11.256 0.772 10 HE2 MET 1 HE2 MET 1 19.232 -10.409 -0.696 11 HE3 MET 1 HE3 MET 1 19.073 -9.621 0.873 12 H ALA 2 H ALA 2 17.290 -6.043 -0.882 13 HA ALA 2 HA ALA 2 16.458 -4.837 1.560 14 HB1 ALA 2 HB1 ALA 2 15.833 -3.476 -1.070 15 HB2 ALA 2 HB2 ALA 2 16.840 -2.816 0.218 16 HB3 ALA 2 HB3 ALA 2 15.115 -3.071 0.491 17 H THR 3 H THR 3 14.224 -5.249 1.876 18 HA THR 3 HA THR 3 13.317 -7.615 0.536 19 HB THR 3 HB THR 3 11.899 -5.838 2.542 20 HG1 THR 3 HG1 THR 3 13.675 -8.021 2.831 21 HG21 THR 3 HG21 THR 3 10.435 -7.466 1.413 22 HG22 THR 3 HG22 THR 3 10.670 -7.898 3.105 23 HG23 THR 3 HG23 THR 3 11.546 -8.767 1.844 24 H LEU 4 H LEU 4 12.602 -7.240 -1.538 25 HA LEU 4 HA LEU 4 10.992 -4.936 -2.115 26 HB2 LEU 4 HB2 LEU 4 11.564 -7.383 -3.812 27 HB3 LEU 4 HB3 LEU 4 10.740 -5.940 -4.375 28 HG LEU 4 HG LEU 4 13.626 -6.127 -3.502 29 HD11 LEU 4 HD11 LEU 4 14.121 -5.579 -5.825 30 HD12 LEU 4 HD12 LEU 4 12.399 -5.626 -6.200 31 HD13 LEU 4 HD13 LEU 4 13.229 -7.094 -5.683 32 HD21 LEU 4 HD21 LEU 4 13.804 -3.780 -4.199 33 HD22 LEU 4 HD22 LEU 4 12.681 -3.978 -2.852 34 HD23 LEU 4 HD23 LEU 4 12.062 -3.739 -4.485 35 H LEU 5 H LEU 5 9.239 -4.876 -1.122 36 HA LEU 5 HA LEU 5 7.837 -6.890 0.095 37 HB2 LEU 5 HB2 LEU 5 6.703 -4.283 -0.829 38 HB3 LEU 5 HB3 LEU 5 6.015 -5.341 0.381 39 HG LEU 5 HG LEU 5 8.543 -3.742 0.571 40 HD11 LEU 5 HD11 LEU 5 5.992 -3.749 2.151 41 HD12 LEU 5 HD12 LEU 5 6.477 -2.549 0.956 42 HD13 LEU 5 HD13 LEU 5 7.394 -2.724 2.457 43 HD21 LEU 5 HD21 LEU 5 8.950 -5.937 1.551 44 HD22 LEU 5 HD22 LEU 5 7.473 -5.798 2.504 45 HD23 LEU 5 HD23 LEU 5 8.825 -4.706 2.808 46 H THR 6 H THR 6 6.007 -7.921 -0.194 47 HA THR 6 HA THR 6 5.242 -8.344 -2.978 48 HB THR 6 HB THR 6 4.622 -10.642 -2.195 49 HG1 THR 6 HG1 THR 6 5.740 -9.613 0.220 50 HG21 THR 6 HG21 THR 6 6.941 -11.477 -2.158 51 HG22 THR 6 HG22 THR 6 7.518 -9.837 -1.856 52 HG23 THR 6 HG23 THR 6 6.726 -10.225 -3.383 53 H THR 7 H THR 7 3.060 -9.847 -2.717 54 HA THR 7 HA THR 7 0.838 -8.361 -2.408 55 HB THR 7 HB THR 7 1.191 -11.274 -1.738 56 HG1 THR 7 HG1 THR 7 0.745 -10.580 -4.400 57 HG21 THR 7 HG21 THR 7 -1.095 -10.400 -1.493 58 HG22 THR 7 HG22 THR 7 -0.985 -11.509 -2.856 59 HG23 THR 7 HG23 THR 7 -1.032 -9.769 -3.139 60 H ASP 8 H ASP 8 2.196 -10.683 -0.091 61 HA ASP 8 HA ASP 8 0.486 -10.481 2.039 62 HB2 ASP 8 HB2 ASP 8 2.149 -12.181 1.957 63 HB3 ASP 8 HB3 ASP 8 3.443 -10.987 2.006 64 H ASP 9 H ASP 9 3.394 -8.585 1.487 65 HA ASP 9 HA ASP 9 3.404 -7.252 3.986 66 HB2 ASP 9 HB2 ASP 9 4.614 -6.299 1.392 67 HB3 ASP 9 HB3 ASP 9 5.077 -5.788 3.009 68 H LEU 10 H LEU 10 2.290 -6.402 0.799 69 HA LEU 10 HA LEU 10 1.407 -3.796 1.357 70 HB2 LEU 10 HB2 LEU 10 1.821 -4.750 -0.885 71 HB3 LEU 10 HB3 LEU 10 0.421 -5.775 -0.686 72 HG LEU 10 HG LEU 10 -1.027 -3.795 -0.664 73 HD11 LEU 10 HD11 LEU 10 1.522 -2.275 -1.224 74 HD12 LEU 10 HD12 LEU 10 0.571 -2.178 0.258 75 HD13 LEU 10 HD13 LEU 10 -0.110 -1.608 -1.267 76 HD21 LEU 10 HD21 LEU 10 0.863 -3.965 -2.997 77 HD22 LEU 10 HD22 LEU 10 -0.743 -3.241 -3.019 78 HD23 LEU 10 HD23 LEU 10 -0.558 -4.971 -2.734 79 H ARG 11 H ARG 11 -0.273 -6.914 1.271 80 HA ARG 11 HA ARG 11 -2.846 -6.209 1.966 81 HB2 ARG 11 HB2 ARG 11 -2.280 -8.486 1.374 82 HB3 ARG 11 HB3 ARG 11 -1.240 -8.623 2.788 83 HG2 ARG 11 HG2 ARG 11 -3.240 -8.386 4.233 84 HG3 ARG 11 HG3 ARG 11 -4.244 -8.349 2.787 85 HD2 ARG 11 HD2 ARG 11 -4.237 -10.565 3.789 86 HD3 ARG 11 HD3 ARG 11 -3.484 -10.591 2.199 87 HE ARG 11 HE ARG 11 -1.319 -10.501 3.461 88 HH11 ARG 11 HH11 ARG 11 -4.224 -11.987 4.923 89 HH12 ARG 11 HH12 ARG 11 -3.320 -13.143 5.786 90 HH21 ARG 11 HH21 ARG 11 -0.097 -12.076 4.771 91 HH22 ARG 11 HH22 ARG 11 -0.989 -13.157 5.736 92 H ARG 12 H ARG 12 -0.242 -7.160 4.174 93 HA ARG 12 HA ARG 12 -1.666 -6.765 6.537 94 HB2 ARG 12 HB2 ARG 12 1.321 -6.624 6.126 95 HB3 ARG 12 HB3 ARG 12 0.526 -6.750 7.692 96 HG2 ARG 12 HG2 ARG 12 -0.459 -8.921 6.896 97 HG3 ARG 12 HG3 ARG 12 0.582 -8.791 5.478 98 HD2 ARG 12 HD2 ARG 12 2.523 -8.594 7.070 99 HD3 ARG 12 HD3 ARG 12 1.404 -9.025 8.360 100 HE ARG 12 HE ARG 12 2.308 -10.717 6.155 101 HH11 ARG 12 HH11 ARG 12 0.157 -10.589 9.025 102 HH12 ARG 12 HH12 ARG 12 0.425 -12.226 9.422 103 HH21 ARG 12 HH21 ARG 12 2.617 -12.949 6.759 104 HH22 ARG 12 HH22 ARG 12 1.787 -13.618 8.091 105 H ALA 13 H ALA 13 0.306 -4.495 4.707 106 HA ALA 13 HA ALA 13 0.248 -2.374 6.589 107 HB1 ALA 13 HB1 ALA 13 1.835 -2.470 4.714 108 HB2 ALA 13 HB2 ALA 13 0.926 -0.959 4.728 109 HB3 ALA 13 HB3 ALA 13 0.502 -2.233 3.587 110 H LEU 14 H LEU 14 -1.819 -3.143 3.815 111 HA LEU 14 HA LEU 14 -3.481 -0.882 3.970 112 HB2 LEU 14 HB2 LEU 14 -4.011 -3.654 2.915 113 HB3 LEU 14 HB3 LEU 14 -5.139 -2.329 2.746 114 HG LEU 14 HG LEU 14 -2.355 -2.341 1.552 115 HD11 LEU 14 HD11 LEU 14 -3.503 -2.769 -0.555 116 HD12 LEU 14 HD12 LEU 14 -5.040 -2.888 0.303 117 HD13 LEU 14 HD13 LEU 14 -3.776 -4.082 0.590 118 HD21 LEU 14 HD21 LEU 14 -3.298 -0.115 1.952 119 HD22 LEU 14 HD22 LEU 14 -4.755 -0.578 1.075 120 HD23 LEU 14 HD23 LEU 14 -3.207 -0.485 0.232 121 H VAL 15 H VAL 15 -3.701 -4.058 5.468 122 HA VAL 15 HA VAL 15 -6.233 -3.711 6.662 123 HB VAL 15 HB VAL 15 -3.944 -5.493 7.594 124 HG11 VAL 15 HG11 VAL 15 -6.885 -5.594 8.295 125 HG12 VAL 15 HG12 VAL 15 -5.580 -5.119 9.380 126 HG13 VAL 15 HG13 VAL 15 -5.669 -6.777 8.779 127 HG21 VAL 15 HG21 VAL 15 -4.677 -6.001 5.330 128 HG22 VAL 15 HG22 VAL 15 -6.349 -6.096 5.875 129 HG23 VAL 15 HG23 VAL 15 -5.170 -7.281 6.438 130 H GLU 16 H GLU 16 -2.962 -3.055 7.870 131 HA GLU 16 HA GLU 16 -3.740 -2.219 10.441 132 HB2 GLU 16 HB2 GLU 16 -1.290 -1.541 8.825 133 HB3 GLU 16 HB3 GLU 16 -1.527 -1.020 10.488 134 HG2 GLU 16 HG2 GLU 16 -1.383 -3.857 9.504 135 HG3 GLU 16 HG3 GLU 16 -0.141 -2.986 10.408 136 H SER 17 H SER 17 -3.570 -0.494 7.411 137 HA SER 17 HA SER 17 -3.994 2.053 8.583 138 HB2 SER 17 HB2 SER 17 -4.338 1.094 5.759 139 HB3 SER 17 HB3 SER 17 -4.275 2.782 6.277 140 HG SER 17 HG SER 17 -2.217 2.166 7.265 141 H ALA 18 H ALA 18 -6.058 -0.496 7.371 142 HA ALA 18 HA ALA 18 -8.455 1.056 7.431 143 HB1 ALA 18 HB1 ALA 18 -9.610 -1.128 7.334 144 HB2 ALA 18 HB2 ALA 18 -8.076 -1.948 7.620 145 HB3 ALA 18 HB3 ALA 18 -8.324 -1.036 6.132 146 H GLY 19 H GLY 19 -6.781 -1.141 9.614 147 HA2 GLY 19 HA2 GLY 19 -6.711 -1.282 11.889 148 HA3 GLY 19 HA3 GLY 19 -7.339 0.357 11.918 149 H GLU 20 H GLU 20 -8.935 -2.414 10.523 150 HA GLU 20 HA GLU 20 -10.635 -2.930 12.710 151 HB2 GLU 20 HB2 GLU 20 -11.523 -0.706 11.922 152 HB3 GLU 20 HB3 GLU 20 -11.817 -1.430 10.349 153 HG2 GLU 20 HG2 GLU 20 -13.825 -1.243 11.797 154 HG3 GLU 20 HG3 GLU 20 -13.469 -2.891 11.264 155 H THR 21 H THR 21 -11.918 -4.765 12.224 156 HA THR 21 HA THR 21 -11.089 -6.134 9.794 157 HB THR 21 HB THR 21 -12.749 -7.246 12.084 158 HG1 THR 21 HG1 THR 21 -9.989 -6.740 11.866 159 HG21 THR 21 HG21 THR 21 -11.003 -8.570 9.991 160 HG22 THR 21 HG22 THR 21 -12.767 -8.535 9.979 161 HG23 THR 21 HG23 THR 21 -11.911 -9.403 11.253 162 H ASP 22 H ASP 22 -12.332 -4.648 8.520 163 HA ASP 22 HA ASP 22 -15.186 -4.541 8.856 164 HB2 ASP 22 HB2 ASP 22 -15.185 -3.000 7.009 165 HB3 ASP 22 HB3 ASP 22 -13.859 -2.582 8.082 166 H GLY 23 H GLY 23 -12.888 -6.183 6.766 167 HA2 GLY 23 HA2 GLY 23 -13.750 -8.446 6.197 168 HA3 GLY 23 HA3 GLY 23 -15.202 -7.621 5.642 169 H THR 24 H THR 24 -12.625 -5.731 4.751 170 HA THR 24 HA THR 24 -12.805 -6.687 2.078 171 HB THR 24 HB THR 24 -12.583 -4.279 2.464 172 HG1 THR 24 HG1 THR 24 -11.224 -3.860 0.870 173 HG21 THR 24 HG21 THR 24 -9.832 -4.845 3.575 174 HG22 THR 24 HG22 THR 24 -11.245 -4.359 4.501 175 HG23 THR 24 HG23 THR 24 -10.539 -3.240 3.324 176 H ASP 25 H ASP 25 -12.156 -8.774 2.217 177 HA ASP 25 HA ASP 25 -9.695 -9.723 3.237 178 HB2 ASP 25 HB2 ASP 25 -11.524 -11.289 2.863 179 HB3 ASP 25 HB3 ASP 25 -11.490 -10.959 1.134 180 H LEU 26 H LEU 26 -7.764 -9.547 2.499 181 HA LEU 26 HA LEU 26 -7.365 -8.768 -0.312 182 HB2 LEU 26 HB2 LEU 26 -5.681 -8.178 2.125 183 HB3 LEU 26 HB3 LEU 26 -5.357 -7.626 0.497 184 HG LEU 26 HG LEU 26 -7.764 -6.817 2.128 185 HD11 LEU 26 HD11 LEU 26 -5.219 -5.320 1.541 186 HD12 LEU 26 HD12 LEU 26 -5.717 -5.964 3.103 187 HD13 LEU 26 HD13 LEU 26 -6.642 -4.663 2.349 188 HD21 LEU 26 HD21 LEU 26 -8.063 -5.107 0.402 189 HD22 LEU 26 HD22 LEU 26 -8.160 -6.729 -0.282 190 HD23 LEU 26 HD23 LEU 26 -6.696 -5.768 -0.497 191 H SER 27 H SER 27 -7.608 -11.497 0.588 192 HA SER 27 HA SER 27 -4.864 -12.434 0.794 193 HB2 SER 27 HB2 SER 27 -7.383 -14.077 0.845 194 HB3 SER 27 HB3 SER 27 -5.770 -14.524 1.416 195 HG SER 27 HG SER 27 -7.741 -13.019 2.606 196 H GLY 28 H GLY 28 -4.106 -12.072 -1.275 197 HA2 GLY 28 HA2 GLY 28 -3.772 -13.821 -3.118 198 HA3 GLY 28 HA3 GLY 28 -5.460 -13.459 -3.470 199 H ASP 29 H ASP 29 -4.678 -12.727 -5.579 200 HA ASP 29 HA ASP 29 -3.048 -10.345 -5.443 201 HB2 ASP 29 HB2 ASP 29 -2.610 -11.871 -7.336 202 HB3 ASP 29 HB3 ASP 29 -4.229 -11.551 -7.961 203 H PHE 30 H PHE 30 -4.463 -9.290 -4.155 204 HA PHE 30 HA PHE 30 -6.868 -8.115 -5.212 205 HB2 PHE 30 HB2 PHE 30 -6.870 -6.800 -3.110 206 HB3 PHE 30 HB3 PHE 30 -6.546 -8.489 -2.784 207 HD1 PHE 30 HD2 PHE 30 -4.382 -9.227 -2.023 208 HD2 PHE 30 HD1 PHE 30 -5.119 -5.120 -2.788 209 HE1 PHE 30 HE2 PHE 30 -2.327 -8.642 -0.823 210 HE2 PHE 30 HE1 PHE 30 -3.064 -4.532 -1.588 211 HZ PHE 30 HZ PHE 30 -1.665 -6.290 -0.604 212 H LEU 31 H LEU 31 -3.627 -7.658 -5.549 213 HA LEU 31 HA LEU 31 -3.151 -4.940 -5.753 214 HB2 LEU 31 HB2 LEU 31 -1.876 -7.234 -7.213 215 HB3 LEU 31 HB3 LEU 31 -1.328 -5.589 -7.391 216 HG LEU 31 HG LEU 31 -0.805 -5.574 -4.932 217 HD11 LEU 31 HD11 LEU 31 -2.248 -7.362 -4.180 218 HD12 LEU 31 HD12 LEU 31 -0.565 -7.713 -3.789 219 HD13 LEU 31 HD13 LEU 31 -1.341 -8.523 -5.149 220 HD21 LEU 31 HD21 LEU 31 0.912 -5.908 -6.601 221 HD22 LEU 31 HD22 LEU 31 0.577 -7.639 -6.626 222 HD23 LEU 31 HD23 LEU 31 1.237 -6.889 -5.172 223 H ASP 32 H ASP 32 -4.969 -6.895 -7.848 224 HA ASP 32 HA ASP 32 -4.740 -5.129 -10.172 225 HB2 ASP 32 HB2 ASP 32 -4.661 -7.534 -10.519 226 HB3 ASP 32 HB3 ASP 32 -6.200 -7.732 -9.702 227 H LEU 33 H LEU 33 -6.658 -5.469 -7.426 228 HA LEU 33 HA LEU 33 -9.105 -4.480 -8.604 229 HB2 LEU 33 HB2 LEU 33 -8.340 -4.939 -5.724 230 HB3 LEU 33 HB3 LEU 33 -9.948 -4.561 -6.312 231 HG LEU 33 HG LEU 33 -8.401 -7.084 -6.901 232 HD11 LEU 33 HD11 LEU 33 -9.174 -6.967 -4.615 233 HD12 LEU 33 HD12 LEU 33 -10.109 -8.158 -5.528 234 HD13 LEU 33 HD13 LEU 33 -10.796 -6.568 -5.177 235 HD21 LEU 33 HD21 LEU 33 -9.837 -6.448 -8.760 236 HD22 LEU 33 HD22 LEU 33 -11.200 -6.272 -7.655 237 HD23 LEU 33 HD23 LEU 33 -10.481 -7.860 -7.924 238 H ARG 34 H ARG 34 -9.765 -2.370 -8.412 239 HA ARG 34 HA ARG 34 -7.645 -0.487 -7.864 240 HB2 ARG 34 HB2 ARG 34 -10.527 0.033 -8.622 241 HB3 ARG 34 HB3 ARG 34 -9.252 1.243 -8.568 242 HG2 ARG 34 HG2 ARG 34 -8.043 0.007 -10.330 243 HG3 ARG 34 HG3 ARG 34 -9.387 -1.131 -10.416 244 HD2 ARG 34 HD2 ARG 34 -9.635 0.481 -12.176 245 HD3 ARG 34 HD3 ARG 34 -10.884 0.766 -10.967 246 HE ARG 34 HE ARG 34 -8.425 2.326 -10.835 247 HH11 ARG 34 HH11 ARG 34 -11.906 2.252 -11.530 248 HH12 ARG 34 HH12 ARG 34 -12.071 3.934 -11.560 249 HH21 ARG 34 HH21 ARG 34 -8.652 4.664 -10.980 250 HH22 ARG 34 HH22 ARG 34 -10.203 5.326 -11.220 251 H PHE 35 H PHE 35 -7.594 1.071 -6.261 252 HA PHE 35 HA PHE 35 -8.275 0.303 -3.713 253 HB2 PHE 35 HB2 PHE 35 -7.674 3.056 -4.757 254 HB3 PHE 35 HB3 PHE 35 -8.003 2.759 -3.058 255 HD1 PHE 35 HD2 PHE 35 -6.541 0.974 -1.903 256 HD2 PHE 35 HD1 PHE 35 -5.519 2.848 -5.578 257 HE1 PHE 35 HE2 PHE 35 -4.181 0.392 -1.537 258 HE2 PHE 35 HE1 PHE 35 -3.158 2.272 -5.220 259 HZ PHE 35 HZ PHE 35 -2.485 1.042 -3.197 260 H GLU 36 H GLU 36 -10.120 2.595 -5.672 261 HA GLU 36 HA GLU 36 -12.117 3.161 -3.801 262 HB2 GLU 36 HB2 GLU 36 -13.475 3.873 -5.712 263 HB3 GLU 36 HB3 GLU 36 -11.821 4.460 -5.818 264 HG2 GLU 36 HG2 GLU 36 -11.341 2.552 -7.361 265 HG3 GLU 36 HG3 GLU 36 -13.073 2.215 -7.374 266 H ASP 37 H ASP 37 -11.643 0.354 -5.726 267 HA ASP 37 HA ASP 37 -14.373 -0.580 -5.503 268 HB2 ASP 37 HB2 ASP 37 -13.123 -1.006 -7.557 269 HB3 ASP 37 HB3 ASP 37 -11.907 -1.897 -6.654 270 H ILE 38 H ILE 38 -11.363 -0.943 -3.848 271 HA ILE 38 HA ILE 38 -12.457 -3.172 -2.318 272 HB ILE 38 HB ILE 38 -10.229 -3.385 -1.228 273 HG12 ILE 38 HG12 ILE 38 -9.360 -1.279 -3.225 274 HG13 ILE 38 HG13 ILE 38 -9.497 -1.033 -1.490 275 HG21 ILE 38 HG21 ILE 38 -10.204 -3.478 -4.233 276 HG22 ILE 38 HG22 ILE 38 -10.770 -4.743 -3.146 277 HG23 ILE 38 HG23 ILE 38 -9.059 -4.306 -3.177 278 HD11 ILE 38 HD11 ILE 38 -7.188 -1.346 -2.143 279 HD12 ILE 38 HD12 ILE 38 -7.585 -2.899 -2.885 280 HD13 ILE 38 HD13 ILE 38 -7.721 -2.696 -1.138 281 H GLY 39 H GLY 39 -13.030 -0.165 -2.175 282 HA2 GLY 39 HA2 GLY 39 -14.225 0.898 -0.468 283 HA3 GLY 39 HA3 GLY 39 -13.571 -0.257 0.676 284 H TYR 40 H TYR 40 -11.164 1.207 -1.266 285 HA TYR 40 HA TYR 40 -10.393 2.703 1.089 286 HB2 TYR 40 HB2 TYR 40 -8.788 1.708 -1.254 287 HB3 TYR 40 HB3 TYR 40 -8.159 2.973 -0.209 288 HD1 TYR 40 HD1 TYR 40 -10.003 -0.237 0.411 289 HD2 TYR 40 HD2 TYR 40 -6.592 2.155 1.272 290 HE1 TYR 40 HE1 TYR 40 -9.247 -1.920 2.020 291 HE2 TYR 40 HE2 TYR 40 -5.810 0.466 2.882 292 HH TYR 40 HH TYR 40 -6.712 -1.366 4.244 293 H ASP 41 H ASP 41 -10.670 4.656 1.317 294 HA ASP 41 HA ASP 41 -11.779 6.416 -0.631 295 HB2 ASP 41 HB2 ASP 41 -12.308 6.494 1.776 296 HB3 ASP 41 HB3 ASP 41 -10.613 6.881 2.081 297 H SER 42 H SER 42 -8.929 7.045 1.381 298 HA SER 42 HA SER 42 -6.945 7.126 -0.536 299 HB2 SER 42 HB2 SER 42 -6.582 9.510 -0.935 300 HB3 SER 42 HB3 SER 42 -8.170 9.044 -1.543 301 H LEU 43 H LEU 43 -8.184 8.761 2.310 302 HA LEU 43 HA LEU 43 -5.713 9.305 3.487 303 HB2 LEU 43 HB2 LEU 43 -8.286 8.632 4.900 304 HB3 LEU 43 HB3 LEU 43 -6.867 9.295 5.680 305 HG LEU 43 HG LEU 43 -8.631 10.637 3.652 306 HD11 LEU 43 HD11 LEU 43 -8.964 12.249 5.448 307 HD12 LEU 43 HD12 LEU 43 -7.942 11.279 6.511 308 HD13 LEU 43 HD13 LEU 43 -9.477 10.630 5.927 309 HD21 LEU 43 HD21 LEU 43 -7.136 12.553 3.848 310 HD22 LEU 43 HD22 LEU 43 -6.311 11.153 3.162 311 HD23 LEU 43 HD23 LEU 43 -6.044 11.596 4.848 312 H ALA 44 H ALA 44 -7.691 6.394 3.850 313 HA ALA 44 HA ALA 44 -5.912 5.012 5.545 314 HB1 ALA 44 HB1 ALA 44 -7.799 3.847 3.490 315 HB2 ALA 44 HB2 ALA 44 -8.220 4.262 5.151 316 HB3 ALA 44 HB3 ALA 44 -7.065 2.968 4.831 317 H LEU 45 H LEU 45 -6.042 5.419 2.124 318 HA LEU 45 HA LEU 45 -4.147 3.471 1.325 319 HB2 LEU 45 HB2 LEU 45 -5.893 4.620 -0.045 320 HB3 LEU 45 HB3 LEU 45 -4.977 6.086 -0.015 321 HG LEU 45 HG LEU 45 -4.364 3.491 -1.450 322 HD11 LEU 45 HD11 LEU 45 -4.933 6.265 -2.448 323 HD12 LEU 45 HD12 LEU 45 -6.019 4.874 -2.496 324 HD13 LEU 45 HD13 LEU 45 -4.539 4.872 -3.455 325 HD21 LEU 45 HD21 LEU 45 -2.630 5.969 -1.390 326 HD22 LEU 45 HD22 LEU 45 -2.376 4.549 -2.408 327 HD23 LEU 45 HD23 LEU 45 -2.232 4.414 -0.655 328 H MET 46 H MET 46 -3.946 6.942 2.020 329 HA MET 46 HA MET 46 -1.199 7.390 1.640 330 HB2 MET 46 HB2 MET 46 -3.111 8.711 3.567 331 HB3 MET 46 HB3 MET 46 -1.509 9.313 3.176 332 HG2 MET 46 HG2 MET 46 -3.677 8.904 1.164 333 HG3 MET 46 HG3 MET 46 -3.417 10.419 2.010 334 HE1 MET 46 HE1 MET 46 -3.535 10.151 -1.130 335 HE2 MET 46 HE2 MET 46 -2.177 11.167 -1.613 336 HE3 MET 46 HE3 MET 46 -3.236 11.678 -0.299 337 H GLU 47 H GLU 47 -3.028 6.350 4.423 338 HA GLU 47 HA GLU 47 -0.962 6.396 6.334 339 HB2 GLU 47 HB2 GLU 47 -3.563 6.232 6.465 340 HB3 GLU 47 HB3 GLU 47 -3.290 4.500 6.426 341 HG2 GLU 47 HG2 GLU 47 -2.249 6.421 8.519 342 HG3 GLU 47 HG3 GLU 47 -3.606 5.329 8.708 343 H THR 48 H THR 48 -2.172 3.923 4.100 344 HA THR 48 HA THR 48 -0.577 1.777 4.903 345 HB THR 48 HB THR 48 -1.695 2.546 2.209 346 HG1 THR 48 HG1 THR 48 -2.672 1.528 4.494 347 HG21 THR 48 HG21 THR 48 -1.459 0.165 1.634 348 HG22 THR 48 HG22 THR 48 -0.552 -0.108 3.125 349 HG23 THR 48 HG23 THR 48 0.108 0.946 1.860 350 H ALA 49 H ALA 49 -0.028 4.284 2.461 351 HA ALA 49 HA ALA 49 2.534 3.510 1.661 352 HB1 ALA 49 HB1 ALA 49 1.402 6.310 1.842 353 HB2 ALA 49 HB2 ALA 49 1.228 5.215 0.467 354 HB3 ALA 49 HB3 ALA 49 2.820 5.837 0.905 355 H ALA 50 H ALA 50 1.504 5.793 4.175 356 HA ALA 50 HA ALA 50 3.999 6.491 5.185 357 HB1 ALA 50 HB1 ALA 50 2.812 7.221 7.179 358 HB2 ALA 50 HB2 ALA 50 1.391 6.302 6.684 359 HB3 ALA 50 HB3 ALA 50 1.931 7.680 5.720 360 H ARG 51 H ARG 51 1.928 3.776 5.968 361 HA ARG 51 HA ARG 51 3.201 2.780 8.242 362 HB2 ARG 51 HB2 ARG 51 1.013 2.030 7.240 363 HB3 ARG 51 HB3 ARG 51 1.933 1.161 6.023 364 HG2 ARG 51 HG2 ARG 51 1.246 -0.384 7.700 365 HG3 ARG 51 HG3 ARG 51 2.991 -0.144 7.857 366 HD2 ARG 51 HD2 ARG 51 2.592 1.490 9.635 367 HD3 ARG 51 HD3 ARG 51 0.858 1.215 9.450 368 HE ARG 51 HE ARG 51 2.306 -1.170 10.003 369 HH11 ARG 51 HH11 ARG 51 0.921 1.725 11.481 370 HH12 ARG 51 HH12 ARG 51 0.605 1.002 12.983 371 HH21 ARG 51 HH21 ARG 51 1.881 -2.201 12.048 372 HH22 ARG 51 HH22 ARG 51 1.180 -1.298 13.325 373 H LEU 52 H LEU 52 3.644 1.978 4.838 374 HA LEU 52 HA LEU 52 5.839 0.264 5.323 375 HB2 LEU 52 HB2 LEU 52 4.953 1.526 2.727 376 HB3 LEU 52 HB3 LEU 52 6.115 0.218 2.886 377 HG LEU 52 HG LEU 52 3.191 0.075 3.625 378 HD11 LEU 52 HD11 LEU 52 4.721 -1.230 1.402 379 HD12 LEU 52 HD12 LEU 52 3.546 0.076 1.227 380 HD13 LEU 52 HD13 LEU 52 3.026 -1.516 1.789 381 HD21 LEU 52 HD21 LEU 52 4.537 -1.291 5.122 382 HD22 LEU 52 HD22 LEU 52 5.329 -2.049 3.739 383 HD23 LEU 52 HD23 LEU 52 3.609 -2.308 4.021 384 H GLU 53 H GLU 53 5.567 3.672 4.453 385 HA GLU 53 HA GLU 53 8.263 4.260 4.027 386 HB2 GLU 53 HB2 GLU 53 6.148 5.945 5.344 387 HB3 GLU 53 HB3 GLU 53 7.722 6.569 4.878 388 HG2 GLU 53 HG2 GLU 53 7.150 6.060 2.517 389 HG3 GLU 53 HG3 GLU 53 5.550 5.543 3.050 390 H SER 54 H SER 54 6.390 4.274 7.023 391 HA SER 54 HA SER 54 8.440 4.989 8.764 392 HB2 SER 54 HB2 SER 54 5.992 3.298 9.309 393 HB3 SER 54 HB3 SER 54 7.001 4.069 10.531 394 HG SER 54 HG SER 54 6.142 5.827 8.618 395 H ARG 55 H ARG 55 7.140 1.718 8.086 396 HA ARG 55 HA ARG 55 8.930 0.450 9.833 397 HB2 ARG 55 HB2 ARG 55 6.800 -0.582 9.121 398 HB3 ARG 55 HB3 ARG 55 7.481 -0.840 7.516 399 HG2 ARG 55 HG2 ARG 55 9.328 -2.151 8.662 400 HG3 ARG 55 HG3 ARG 55 8.331 -2.096 10.111 401 HD2 ARG 55 HD2 ARG 55 7.524 -3.269 7.456 402 HD3 ARG 55 HD3 ARG 55 8.090 -4.187 8.842 403 HE ARG 55 HE ARG 55 5.832 -2.621 9.536 404 HH11 ARG 55 HH11 ARG 55 6.676 -5.453 7.582 405 HH12 ARG 55 HH12 ARG 55 5.265 -6.320 7.959 406 HH21 ARG 55 HH21 ARG 55 3.874 -3.737 10.013 407 HH22 ARG 55 HH22 ARG 55 3.548 -5.275 9.377 408 H TYR 56 H TYR 56 9.189 0.984 6.316 409 HA TYR 56 HA TYR 56 11.633 -0.613 6.410 410 HB2 TYR 56 HB2 TYR 56 10.011 0.234 4.014 411 HB3 TYR 56 HB3 TYR 56 11.472 -0.750 3.951 412 HD1 TYR 56 HD2 TYR 56 11.474 -2.997 5.100 413 HD2 TYR 56 HD1 TYR 56 7.922 -0.739 4.516 414 HE1 TYR 56 HE2 TYR 56 10.132 -5.011 5.518 415 HE2 TYR 56 HE1 TYR 56 6.571 -2.733 4.931 416 HH TYR 56 HH TYR 56 6.844 -5.211 4.811 417 H GLY 57 H GLY 57 10.671 2.666 6.077 418 HA2 GLY 57 HA2 GLY 57 12.141 4.458 6.196 419 HA3 GLY 57 HA3 GLY 57 13.475 3.362 5.851 420 H VAL 58 H VAL 58 10.500 4.404 4.266 421 HA VAL 58 HA VAL 58 12.029 5.067 1.856 422 HB VAL 58 HB VAL 58 10.368 4.137 0.364 423 HG11 VAL 58 HG11 VAL 58 11.996 2.525 1.094 424 HG12 VAL 58 HG12 VAL 58 10.414 1.763 0.821 425 HG13 VAL 58 HG13 VAL 58 10.952 2.115 2.465 426 HG21 VAL 58 HG21 VAL 58 8.373 2.908 1.112 427 HG22 VAL 58 HG22 VAL 58 8.341 4.593 1.636 428 HG23 VAL 58 HG23 VAL 58 8.754 3.323 2.784 429 H SER 59 H SER 59 10.459 6.466 0.386 430 HA SER 59 HA SER 59 8.367 7.575 1.996 431 HB2 SER 59 HB2 SER 59 10.446 9.014 2.331 432 HB3 SER 59 HB3 SER 59 10.252 9.496 0.640 433 HG SER 59 HG SER 59 8.002 9.552 2.240 434 H ILE 60 H ILE 60 6.658 8.020 0.943 435 HA ILE 60 HA ILE 60 6.709 7.656 -1.975 436 HB ILE 60 HB ILE 60 4.445 7.098 -0.024 437 HG12 ILE 60 HG12 ILE 60 6.240 5.463 0.191 438 HG13 ILE 60 HG13 ILE 60 4.838 4.704 -0.539 439 HG21 ILE 60 HG21 ILE 60 3.594 7.802 -2.195 440 HG22 ILE 60 HG22 ILE 60 3.280 6.086 -1.930 441 HG23 ILE 60 HG23 ILE 60 4.595 6.588 -2.995 442 HD11 ILE 60 HD11 ILE 60 7.325 5.644 -1.969 443 HD12 ILE 60 HD12 ILE 60 5.918 4.922 -2.749 444 HD13 ILE 60 HD13 ILE 60 6.883 3.972 -1.618 445 HA PRO 61 HA PRO 61 5.514 11.973 -2.053 446 HB2 PRO 61 HB2 PRO 61 4.610 11.218 -4.786 447 HB3 PRO 61 HB3 PRO 61 5.692 12.522 -4.285 448 HG2 PRO 61 HG2 PRO 61 6.660 10.347 -5.466 449 HG3 PRO 61 HG3 PRO 61 7.530 11.119 -4.125 450 HD2 PRO 61 HD2 PRO 61 5.845 8.651 -4.118 451 HD3 PRO 61 HD3 PRO 61 7.374 8.974 -3.269 452 H ASP 62 H ASP 62 3.703 12.840 -1.445 453 HA ASP 62 HA ASP 62 1.422 11.480 -0.691 454 HB2 ASP 62 HB2 ASP 62 1.786 14.415 -1.270 455 HB3 ASP 62 HB3 ASP 62 0.305 13.753 -0.599 456 H ASP 63 H ASP 63 1.871 13.374 -3.629 457 HA ASP 63 HA ASP 63 -0.844 13.040 -4.433 458 HB2 ASP 63 HB2 ASP 63 1.558 13.955 -6.012 459 HB3 ASP 63 HB3 ASP 63 -0.065 13.864 -6.677 460 H VAL 64 H VAL 64 2.098 11.276 -5.030 461 HA VAL 64 HA VAL 64 0.903 9.727 -7.183 462 HB VAL 64 HB VAL 64 3.478 9.091 -5.710 463 HG11 VAL 64 HG11 VAL 64 4.060 7.916 -7.800 464 HG12 VAL 64 HG12 VAL 64 2.468 8.332 -8.447 465 HG13 VAL 64 HG13 VAL 64 2.599 7.264 -7.053 466 HG21 VAL 64 HG21 VAL 64 3.109 10.798 -8.174 467 HG22 VAL 64 HG22 VAL 64 4.658 10.282 -7.504 468 HG23 VAL 64 HG23 VAL 64 3.614 11.363 -6.582 469 H ALA 65 H ALA 65 1.444 9.336 -3.759 470 HA ALA 65 HA ALA 65 0.591 6.685 -3.518 471 HB1 ALA 65 HB1 ALA 65 0.108 9.000 -1.622 472 HB2 ALA 65 HB2 ALA 65 1.531 7.958 -1.633 473 HB3 ALA 65 HB3 ALA 65 -0.045 7.292 -1.212 474 H GLY 66 H GLY 66 -1.228 9.716 -3.467 475 HA2 GLY 66 HA2 GLY 66 -3.746 8.280 -3.652 476 HA3 GLY 66 HA3 GLY 66 -3.521 10.000 -3.480 477 H ARG 67 H ARG 67 -2.055 7.928 -5.890 478 HA ARG 67 HA ARG 67 -3.547 9.361 -8.024 479 HB2 ARG 67 HB2 ARG 67 -1.163 10.224 -7.618 480 HB3 ARG 67 HB3 ARG 67 -0.623 8.679 -8.248 481 HG2 ARG 67 HG2 ARG 67 -0.525 10.338 -9.969 482 HG3 ARG 67 HG3 ARG 67 -1.803 9.178 -10.358 483 HD2 ARG 67 HD2 ARG 67 -2.506 11.477 -10.763 484 HD3 ARG 67 HD3 ARG 67 -3.479 10.703 -9.509 485 HE ARG 67 HE ARG 67 -1.196 12.360 -8.757 486 HH11 ARG 67 HH11 ARG 67 -4.711 12.000 -8.937 487 HH12 ARG 67 HH12 ARG 67 -5.071 13.180 -7.769 488 HH21 ARG 67 HH21 ARG 67 -1.679 14.061 -7.182 489 HH22 ARG 67 HH22 ARG 67 -3.278 14.398 -6.741 490 H VAL 68 H VAL 68 -1.763 6.611 -6.922 491 HA VAL 68 HA VAL 68 -2.050 5.087 -9.290 492 HB VAL 68 HB VAL 68 -1.203 3.207 -7.818 493 HG11 VAL 68 HG11 VAL 68 0.352 5.800 -7.739 494 HG12 VAL 68 HG12 VAL 68 0.334 4.645 -9.076 495 HG13 VAL 68 HG13 VAL 68 1.026 4.186 -7.518 496 HG21 VAL 68 HG21 VAL 68 -2.152 4.021 -5.686 497 HG22 VAL 68 HG22 VAL 68 -1.052 5.406 -5.764 498 HG23 VAL 68 HG23 VAL 68 -0.401 3.780 -5.580 499 H ASP 69 H ASP 69 -3.447 3.401 -9.679 500 HA ASP 69 HA ASP 69 -6.025 3.726 -8.317 501 HB2 ASP 69 HB2 ASP 69 -5.391 2.200 -10.849 502 HB3 ASP 69 HB3 ASP 69 -6.990 2.506 -10.193 503 H THR 70 H THR 70 -3.717 1.269 -9.242 504 HA THR 70 HA THR 70 -5.207 -0.647 -7.623 505 HB THR 70 HB THR 70 -3.862 -2.384 -8.794 506 HG1 THR 70 HG1 THR 70 -2.860 -0.118 -10.210 507 HG21 THR 70 HG21 THR 70 -6.071 -1.775 -9.655 508 HG22 THR 70 HG22 THR 70 -4.978 -2.179 -10.982 509 HG23 THR 70 HG23 THR 70 -5.347 -0.492 -10.622 510 HA PRO 71 HA PRO 71 -2.186 -0.625 -4.387 511 HB2 PRO 71 HB2 PRO 71 -2.518 -3.588 -4.412 512 HB3 PRO 71 HB3 PRO 71 -2.667 -2.447 -3.071 513 HG2 PRO 71 HG2 PRO 71 -4.829 -3.500 -4.172 514 HG3 PRO 71 HG3 PRO 71 -4.800 -1.790 -3.692 515 HD2 PRO 71 HD2 PRO 71 -4.529 -3.005 -6.406 516 HD3 PRO 71 HD3 PRO 71 -5.409 -1.547 -5.908 517 H ARG 72 H ARG 72 -1.874 -2.886 -7.072 518 HA ARG 72 HA ARG 72 0.754 -3.716 -6.687 519 HB2 ARG 72 HB2 ARG 72 -0.667 -4.752 -8.374 520 HB3 ARG 72 HB3 ARG 72 -0.687 -3.260 -9.308 521 HG2 ARG 72 HG2 ARG 72 1.607 -3.481 -9.881 522 HG3 ARG 72 HG3 ARG 72 1.840 -4.780 -8.713 523 HD2 ARG 72 HD2 ARG 72 0.058 -4.943 -11.143 524 HD3 ARG 72 HD3 ARG 72 1.704 -5.566 -11.061 525 HE ARG 72 HE ARG 72 -0.633 -6.602 -9.596 526 HH11 ARG 72 HH11 ARG 72 2.635 -7.097 -10.885 527 HH12 ARG 72 HH12 ARG 72 2.813 -8.665 -10.283 528 HH21 ARG 72 HH21 ARG 72 -0.446 -8.825 -8.763 529 HH22 ARG 72 HH22 ARG 72 0.968 -9.688 -9.078 530 H GLU 73 H GLU 73 -0.456 -0.804 -8.263 531 HA GLU 73 HA GLU 73 2.002 0.204 -9.181 532 HB2 GLU 73 HB2 GLU 73 -0.522 1.619 -8.341 533 HB3 GLU 73 HB3 GLU 73 0.804 2.365 -9.214 534 HG2 GLU 73 HG2 GLU 73 0.387 1.034 -11.135 535 HG3 GLU 73 HG3 GLU 73 -0.752 0.017 -10.250 536 H LEU 74 H LEU 74 0.236 0.594 -6.170 537 HA LEU 74 HA LEU 74 1.970 2.524 -5.002 538 HB2 LEU 74 HB2 LEU 74 -0.425 2.109 -4.362 539 HB3 LEU 74 HB3 LEU 74 0.054 0.590 -3.648 540 HG LEU 74 HG LEU 74 -0.437 2.377 -1.998 541 HD11 LEU 74 HD11 LEU 74 1.510 2.116 -0.557 542 HD12 LEU 74 HD12 LEU 74 2.422 1.457 -1.914 543 HD13 LEU 74 HD13 LEU 74 1.017 0.590 -1.292 544 HD21 LEU 74 HD21 LEU 74 1.988 3.739 -3.149 545 HD22 LEU 74 HD22 LEU 74 1.147 4.223 -1.677 546 HD23 LEU 74 HD23 LEU 74 0.320 4.307 -3.232 547 H LEU 75 H LEU 75 1.693 -0.990 -4.778 548 HA LEU 75 HA LEU 75 3.737 -1.482 -2.949 549 HB2 LEU 75 HB2 LEU 75 2.103 -3.168 -3.714 550 HB3 LEU 75 HB3 LEU 75 2.896 -3.205 -5.277 551 HG LEU 75 HG LEU 75 4.952 -4.036 -4.187 552 HD11 LEU 75 HD11 LEU 75 3.224 -4.154 -1.727 553 HD12 LEU 75 HD12 LEU 75 4.622 -3.110 -1.977 554 HD13 LEU 75 HD13 LEU 75 4.832 -4.859 -1.885 555 HD21 LEU 75 HD21 LEU 75 2.469 -5.667 -3.670 556 HD22 LEU 75 HD22 LEU 75 4.115 -6.296 -3.743 557 HD23 LEU 75 HD23 LEU 75 3.376 -5.596 -5.182 558 H ASP 76 H ASP 76 3.838 -1.135 -6.467 559 HA ASP 76 HA ASP 76 6.590 -1.734 -6.681 560 HB2 ASP 76 HB2 ASP 76 5.039 -1.872 -8.614 561 HB3 ASP 76 HB3 ASP 76 4.942 -0.111 -8.631 562 H LEU 77 H LEU 77 4.869 1.220 -6.012 563 HA LEU 77 HA LEU 77 7.000 3.043 -6.342 564 HB2 LEU 77 HB2 LEU 77 4.805 3.100 -4.253 565 HB3 LEU 77 HB3 LEU 77 5.835 4.449 -4.668 566 HG LEU 77 HG LEU 77 3.810 3.167 -6.501 567 HD11 LEU 77 HD11 LEU 77 2.546 5.237 -6.176 568 HD12 LEU 77 HD12 LEU 77 3.747 5.784 -5.006 569 HD13 LEU 77 HD13 LEU 77 2.764 4.362 -4.662 570 HD21 LEU 77 HD21 LEU 77 5.504 5.638 -6.846 571 HD22 LEU 77 HD22 LEU 77 4.251 5.086 -7.957 572 HD23 LEU 77 HD23 LEU 77 5.707 4.117 -7.715 573 H ILE 78 H ILE 78 5.945 1.114 -3.604 574 HA ILE 78 HA ILE 78 7.951 1.812 -1.747 575 HB ILE 78 HB ILE 78 6.554 -0.869 -2.004 576 HG12 ILE 78 HG12 ILE 78 4.914 0.989 -1.927 577 HG13 ILE 78 HG13 ILE 78 4.840 -0.027 -0.496 578 HG21 ILE 78 HG21 ILE 78 6.936 -1.023 0.429 579 HG22 ILE 78 HG22 ILE 78 7.830 0.495 0.366 580 HG23 ILE 78 HG23 ILE 78 8.442 -0.924 -0.486 581 HD11 ILE 78 HD11 ILE 78 6.093 1.658 0.753 582 HD12 ILE 78 HD12 ILE 78 4.611 2.321 0.066 583 HD13 ILE 78 HD13 ILE 78 6.167 2.670 -0.689 584 H ASN 79 H ASN 79 7.647 -0.946 -3.975 585 HA ASN 79 HA ASN 79 10.101 -2.189 -3.454 586 HB2 ASN 79 HB2 ASN 79 8.369 -2.219 -5.914 587 HB3 ASN 79 HB3 ASN 79 9.926 -3.016 -5.911 588 HD21 ASN 79 HD21 ASN 79 7.675 -2.934 -3.154 589 HD22 ASN 79 HD22 ASN 79 7.351 -4.641 -3.234 590 H GLY 80 H GLY 80 9.329 0.216 -5.948 591 HA2 GLY 80 HA2 GLY 80 11.850 0.397 -7.104 592 HA3 GLY 80 HA3 GLY 80 10.640 1.672 -7.088 593 H ALA 81 H ALA 81 10.516 2.052 -4.308 594 HA ALA 81 HA ALA 81 12.706 3.797 -3.918 595 HB1 ALA 81 HB1 ALA 81 10.678 2.787 -1.921 596 HB2 ALA 81 HB2 ALA 81 10.494 4.213 -2.943 597 HB3 ALA 81 HB3 ALA 81 11.743 4.173 -1.698 598 H LEU 82 H LEU 82 11.838 0.663 -2.534 599 HA LEU 82 HA LEU 82 14.155 0.457 -0.902 600 HB2 LEU 82 HB2 LEU 82 12.096 -1.546 -1.774 601 HB3 LEU 82 HB3 LEU 82 13.471 -2.004 -0.785 602 HG LEU 82 HG LEU 82 11.459 0.105 0.021 603 HD11 LEU 82 HD11 LEU 82 10.560 -1.577 1.539 604 HD12 LEU 82 HD12 LEU 82 11.652 -2.783 0.862 605 HD13 LEU 82 HD13 LEU 82 10.380 -2.083 -0.140 606 HD21 LEU 82 HD21 LEU 82 13.661 0.338 1.041 607 HD22 LEU 82 HD22 LEU 82 13.611 -1.348 1.554 608 HD23 LEU 82 HD23 LEU 82 12.467 -0.186 2.230 609 H ALA 83 H ALA 83 13.545 -0.269 -4.205 610 HA ALA 83 HA ALA 83 15.631 -2.066 -4.704 611 HB1 ALA 83 HB1 ALA 83 15.432 -1.412 -7.046 612 HB2 ALA 83 HB2 ALA 83 14.504 0.012 -6.580 613 HB3 ALA 83 HB3 ALA 83 13.837 -1.600 -6.318 614 H GLU 84 H GLU 84 15.689 1.294 -4.015 615 HA GLU 84 HA GLU 84 18.342 1.649 -5.080 616 HB2 GLU 84 HB2 GLU 84 16.659 3.497 -3.384 617 HB3 GLU 84 HB3 GLU 84 18.222 3.913 -4.080 618 HG2 GLU 84 HG2 GLU 84 15.670 3.295 -5.537 619 HG3 GLU 84 HG3 GLU 84 16.547 4.823 -5.488 620 H ALA 85 H ALA 85 17.171 0.125 -2.449 621 HA ALA 85 HA ALA 85 19.595 0.603 -0.882 622 HB1 ALA 85 HB1 ALA 85 16.997 -0.746 -0.103 623 HB2 ALA 85 HB2 ALA 85 17.493 0.884 0.357 624 HB3 ALA 85 HB3 ALA 85 18.389 -0.514 0.955 625 H ALA 86 H ALA 86 18.601 -1.198 -3.320 626 HA ALA 86 HA ALA 86 19.476 -3.776 -2.371 627 HB1 ALA 86 HB1 ALA 86 18.939 -4.552 -4.638 628 HB2 ALA 86 HB2 ALA 86 18.613 -2.890 -5.128 629 HB3 ALA 86 HB3 ALA 86 17.585 -3.673 -3.930 630 H28 SXA 87 H28A SXA 87 -6.033 13.547 -0.775 631 H28A SXA 87 H28B SXA 87 -7.349 14.271 0.151 632 H30 SXA 87 H30A SXA 87 -5.503 14.938 3.185 633 H30A SXA 87 H30B SXA 87 -6.593 13.591 2.848 634 H30B SXA 87 H30C SXA 87 -6.986 15.212 2.275 635 H31 SXA 87 H31A SXA 87 -3.794 13.051 0.496 636 H31A SXA 87 H31B SXA 87 -4.673 12.351 1.855 637 H31B SXA 87 H31C SXA 87 -3.588 13.714 2.116 638 H32 SXA 87 H32A SXA 87 -5.702 16.303 0.444 639 HO33 SXA 87 H33A SXA 87 -3.412 15.680 -0.590 640 HN36 SXA 87 H36A SXA 87 -4.967 16.528 2.973 641 H37 SXA 87 H37A SXA 87 -2.112 17.231 3.042 642 H37A SXA 87 H37B SXA 87 -3.342 18.365 3.619 643 H38 SXA 87 H38A SXA 87 -2.832 15.602 4.774 644 H38A SXA 87 H38B SXA 87 -2.053 17.043 5.320 645 HN41 SXA 87 H41A SXA 87 -4.943 18.354 4.688 646 H42 SXA 87 H42A SXA 87 -7.004 17.699 6.074 647 H42A SXA 87 H42B SXA 87 -5.894 17.940 7.422 648 H43 SXA 87 H43A SXA 87 -6.684 20.024 5.385 649 H43A SXA 87 H43B SXA 87 -5.604 20.279 6.767 650 H2 SXA 87 H2C SXA 87 -10.121 18.292 8.015 651 H2A SXA 87 H2A SXA 87 -11.038 18.465 6.514 652 H2B SXA 87 H2B SXA 87 -10.762 19.874 7.546 Start of MODEL 3 1 H1 MET 1 H1 MET 1 19.948 -6.671 2.144 2 H2 MET 1 H2 MET 1 20.404 -5.311 3.048 3 H3 MET 1 H3 MET 1 21.299 -5.743 1.668 4 HA MET 1 HA MET 1 19.898 -3.821 1.369 5 HB2 MET 1 HB2 MET 1 18.826 -4.466 -0.700 6 HB3 MET 1 HB3 MET 1 20.334 -5.351 -0.578 7 HG2 MET 1 HG2 MET 1 19.178 -7.359 0.023 8 HG3 MET 1 HG3 MET 1 17.648 -6.493 0.148 9 HE1 MET 1 HE1 MET 1 16.335 -5.484 -1.946 10 HE2 MET 1 HE2 MET 1 16.944 -5.552 -3.601 11 HE3 MET 1 HE3 MET 1 17.772 -4.564 -2.396 12 H ALA 2 H ALA 2 17.510 -3.335 0.724 13 HA ALA 2 HA ALA 2 15.976 -3.875 3.078 14 HB1 ALA 2 HB1 ALA 2 15.245 -2.385 0.555 15 HB2 ALA 2 HB2 ALA 2 15.939 -1.674 2.014 16 HB3 ALA 2 HB3 ALA 2 14.326 -2.386 2.061 17 H THR 3 H THR 3 14.110 -5.044 3.206 18 HA THR 3 HA THR 3 13.883 -7.194 1.360 19 HB THR 3 HB THR 3 13.640 -7.643 3.724 20 HG1 THR 3 HG1 THR 3 11.022 -8.143 3.188 21 HG21 THR 3 HG21 THR 3 11.213 -5.828 3.708 22 HG22 THR 3 HG22 THR 3 12.744 -5.516 4.531 23 HG23 THR 3 HG23 THR 3 11.713 -6.849 5.058 24 H LEU 4 H LEU 4 12.919 -6.923 -0.518 25 HA LEU 4 HA LEU 4 11.187 -4.757 -1.119 26 HB2 LEU 4 HB2 LEU 4 11.525 -7.263 -2.773 27 HB3 LEU 4 HB3 LEU 4 11.057 -5.684 -3.280 28 HG LEU 4 HG LEU 4 13.833 -6.258 -2.252 29 HD11 LEU 4 HD11 LEU 4 13.449 -7.446 -4.334 30 HD12 LEU 4 HD12 LEU 4 14.538 -6.081 -4.576 31 HD13 LEU 4 HD13 LEU 4 12.854 -5.965 -5.082 32 HD21 LEU 4 HD21 LEU 4 12.652 -3.871 -3.664 33 HD22 LEU 4 HD22 LEU 4 14.348 -4.076 -3.220 34 HD23 LEU 4 HD23 LEU 4 13.116 -3.953 -1.964 35 H LEU 5 H LEU 5 8.992 -4.732 -1.182 36 HA LEU 5 HA LEU 5 7.778 -6.828 0.379 37 HB2 LEU 5 HB2 LEU 5 6.569 -4.249 -0.580 38 HB3 LEU 5 HB3 LEU 5 5.827 -5.381 0.527 39 HG LEU 5 HG LEU 5 8.187 -3.590 1.001 40 HD11 LEU 5 HD11 LEU 5 5.541 -3.903 2.389 41 HD12 LEU 5 HD12 LEU 5 6.002 -2.604 1.296 42 HD13 LEU 5 HD13 LEU 5 6.820 -2.780 2.850 43 HD21 LEU 5 HD21 LEU 5 8.412 -4.615 3.219 44 HD22 LEU 5 HD22 LEU 5 8.759 -5.770 1.933 45 HD23 LEU 5 HD23 LEU 5 7.212 -5.828 2.778 46 H THR 6 H THR 6 6.067 -8.019 -0.133 47 HA THR 6 HA THR 6 5.421 -8.183 -2.975 48 HB THR 6 HB THR 6 4.741 -10.566 -2.398 49 HG1 THR 6 HG1 THR 6 5.887 -9.774 0.083 50 HG21 THR 6 HG21 THR 6 6.818 -10.061 -3.593 51 HG22 THR 6 HG22 THR 6 7.051 -11.412 -2.481 52 HG23 THR 6 HG23 THR 6 7.647 -9.807 -2.058 53 H THR 7 H THR 7 3.173 -9.669 -2.946 54 HA THR 7 HA THR 7 1.064 -7.966 -2.401 55 HB THR 7 HB THR 7 1.037 -10.996 -2.512 56 HG1 THR 7 HG1 THR 7 1.989 -10.368 -4.351 57 HG21 THR 7 HG21 THR 7 -1.104 -10.032 -1.785 58 HG22 THR 7 HG22 THR 7 -1.236 -10.719 -3.403 59 HG23 THR 7 HG23 THR 7 -1.104 -8.971 -3.195 60 H ASP 8 H ASP 8 2.189 -10.780 -0.563 61 HA ASP 8 HA ASP 8 0.489 -10.804 1.597 62 HB2 ASP 8 HB2 ASP 8 2.070 -12.580 1.072 63 HB3 ASP 8 HB3 ASP 8 3.418 -11.523 1.460 64 H ASP 9 H ASP 9 3.514 -8.983 1.247 65 HA ASP 9 HA ASP 9 3.575 -7.871 3.885 66 HB2 ASP 9 HB2 ASP 9 4.761 -6.773 1.340 67 HB3 ASP 9 HB3 ASP 9 5.171 -6.163 2.924 68 H LEU 10 H LEU 10 2.368 -6.767 0.789 69 HA LEU 10 HA LEU 10 1.560 -4.215 1.677 70 HB2 LEU 10 HB2 LEU 10 1.963 -4.769 -0.687 71 HB3 LEU 10 HB3 LEU 10 0.550 -5.803 -0.678 72 HG LEU 10 HG LEU 10 -0.866 -3.822 -0.222 73 HD11 LEU 10 HD11 LEU 10 0.073 -1.583 -0.492 74 HD12 LEU 10 HD12 LEU 10 1.689 -2.275 -0.618 75 HD13 LEU 10 HD13 LEU 10 0.783 -2.423 0.886 76 HD21 LEU 10 HD21 LEU 10 0.898 -3.605 -2.657 77 HD22 LEU 10 HD22 LEU 10 -0.684 -2.849 -2.464 78 HD23 LEU 10 HD23 LEU 10 -0.546 -4.607 -2.505 79 H ARG 11 H ARG 11 -0.122 -7.301 1.337 80 HA ARG 11 HA ARG 11 -2.721 -6.639 2.004 81 HB2 ARG 11 HB2 ARG 11 -1.893 -8.952 1.452 82 HB3 ARG 11 HB3 ARG 11 -1.228 -9.046 3.076 83 HG2 ARG 11 HG2 ARG 11 -3.608 -8.606 3.900 84 HG3 ARG 11 HG3 ARG 11 -4.115 -8.944 2.247 85 HD2 ARG 11 HD2 ARG 11 -4.320 -10.986 3.423 86 HD3 ARG 11 HD3 ARG 11 -2.853 -11.138 2.449 87 HE ARG 11 HE ARG 11 -2.891 -10.467 5.308 88 HH11 ARG 11 HH11 ARG 11 -1.418 -12.228 2.589 89 HH12 ARG 11 HH12 ARG 11 -0.109 -12.808 3.513 90 HH21 ARG 11 HH21 ARG 11 -1.140 -11.423 6.611 91 HH22 ARG 11 HH22 ARG 11 0.037 -12.372 5.849 92 H ARG 12 H ARG 12 -0.162 -7.662 4.202 93 HA ARG 12 HA ARG 12 -1.474 -7.257 6.607 94 HB2 ARG 12 HB2 ARG 12 1.426 -7.290 5.875 95 HB3 ARG 12 HB3 ARG 12 0.944 -6.924 7.523 96 HG2 ARG 12 HG2 ARG 12 -0.178 -9.068 7.691 97 HG3 ARG 12 HG3 ARG 12 0.234 -9.422 6.010 98 HD2 ARG 12 HD2 ARG 12 2.388 -8.774 7.983 99 HD3 ARG 12 HD3 ARG 12 1.692 -10.390 7.943 100 HE ARG 12 HE ARG 12 2.368 -10.439 5.557 101 HH11 ARG 12 HH11 ARG 12 4.132 -8.179 7.667 102 HH12 ARG 12 HH12 ARG 12 5.605 -8.409 6.839 103 HH21 ARG 12 HH21 ARG 12 4.317 -10.740 4.541 104 HH22 ARG 12 HH22 ARG 12 5.746 -9.898 4.985 105 H ALA 13 H ALA 13 0.128 -4.911 4.624 106 HA ALA 13 HA ALA 13 0.110 -2.855 6.637 107 HB1 ALA 13 HB1 ALA 13 0.910 -1.411 4.864 108 HB2 ALA 13 HB2 ALA 13 0.588 -2.675 3.677 109 HB3 ALA 13 HB3 ALA 13 1.825 -2.916 4.915 110 H LEU 14 H LEU 14 -1.660 -3.560 3.679 111 HA LEU 14 HA LEU 14 -3.200 -1.220 3.634 112 HB2 LEU 14 HB2 LEU 14 -2.598 -2.951 1.808 113 HB3 LEU 14 HB3 LEU 14 -3.980 -3.841 2.401 114 HG LEU 14 HG LEU 14 -5.406 -1.886 1.868 115 HD11 LEU 14 HD11 LEU 14 -3.683 -0.162 1.994 116 HD12 LEU 14 HD12 LEU 14 -4.511 -0.128 0.440 117 HD13 LEU 14 HD13 LEU 14 -2.896 -0.834 0.566 118 HD21 LEU 14 HD21 LEU 14 -5.372 -2.216 -0.553 119 HD22 LEU 14 HD22 LEU 14 -5.198 -3.749 0.305 120 HD23 LEU 14 HD23 LEU 14 -3.787 -2.979 -0.424 121 H VAL 15 H VAL 15 -3.783 -4.466 4.926 122 HA VAL 15 HA VAL 15 -6.476 -4.243 5.636 123 HB VAL 15 HB VAL 15 -4.271 -5.821 7.031 124 HG11 VAL 15 HG11 VAL 15 -6.162 -5.489 8.548 125 HG12 VAL 15 HG12 VAL 15 -6.065 -7.170 8.021 126 HG13 VAL 15 HG13 VAL 15 -7.267 -6.092 7.311 127 HG21 VAL 15 HG21 VAL 15 -4.643 -6.483 4.722 128 HG22 VAL 15 HG22 VAL 15 -6.371 -6.688 5.038 129 HG23 VAL 15 HG23 VAL 15 -5.188 -7.735 5.832 130 H GLU 16 H GLU 16 -3.675 -3.804 7.819 131 HA GLU 16 HA GLU 16 -5.218 -2.898 9.987 132 HB2 GLU 16 HB2 GLU 16 -2.287 -2.445 9.476 133 HB3 GLU 16 HB3 GLU 16 -3.106 -2.274 11.021 134 HG2 GLU 16 HG2 GLU 16 -3.671 -4.671 10.941 135 HG3 GLU 16 HG3 GLU 16 -2.748 -4.812 9.447 136 H SER 17 H SER 17 -3.989 -1.184 7.252 137 HA SER 17 HA SER 17 -4.018 1.369 8.529 138 HB2 SER 17 HB2 SER 17 -2.438 0.836 6.718 139 HB3 SER 17 HB3 SER 17 -3.789 0.671 5.591 140 HG SER 17 HG SER 17 -3.181 3.003 7.077 141 H ALA 18 H ALA 18 -6.385 -0.555 6.815 142 HA ALA 18 HA ALA 18 -8.022 1.642 6.007 143 HB1 ALA 18 HB1 ALA 18 -8.191 -0.549 4.886 144 HB2 ALA 18 HB2 ALA 18 -9.755 -0.039 5.531 145 HB3 ALA 18 HB3 ALA 18 -8.820 -1.253 6.373 146 H GLY 19 H GLY 19 -7.905 -0.412 8.836 147 HA2 GLY 19 HA2 GLY 19 -8.691 0.120 10.962 148 HA3 GLY 19 HA3 GLY 19 -9.562 1.491 10.277 149 H GLU 20 H GLU 20 -11.321 0.882 8.770 150 HA GLU 20 HA GLU 20 -12.945 -1.210 9.979 151 HB2 GLU 20 HB2 GLU 20 -13.666 1.046 8.104 152 HB3 GLU 20 HB3 GLU 20 -14.803 -0.169 8.673 153 HG2 GLU 20 HG2 GLU 20 -13.330 1.851 10.336 154 HG3 GLU 20 HG3 GLU 20 -15.061 1.811 9.980 155 H THR 21 H THR 21 -10.967 -2.283 8.651 156 HA THR 21 HA THR 21 -11.409 -2.915 5.946 157 HB THR 21 HB THR 21 -9.968 -4.757 7.772 158 HG1 THR 21 HG1 THR 21 -8.286 -2.959 7.900 159 HG21 THR 21 HG21 THR 21 -9.718 -4.765 5.312 160 HG22 THR 21 HG22 THR 21 -8.189 -4.412 6.122 161 HG23 THR 21 HG23 THR 21 -9.118 -3.109 5.377 162 H ASP 22 H ASP 22 -13.571 -3.577 5.874 163 HA ASP 22 HA ASP 22 -14.717 -5.369 7.809 164 HB2 ASP 22 HB2 ASP 22 -15.970 -3.482 6.995 165 HB3 ASP 22 HB3 ASP 22 -15.848 -4.067 5.350 166 H GLY 23 H GLY 23 -15.030 -5.563 4.279 167 HA2 GLY 23 HA2 GLY 23 -14.799 -8.489 4.590 168 HA3 GLY 23 HA3 GLY 23 -15.907 -7.707 3.458 169 H THR 24 H THR 24 -12.600 -6.959 4.237 170 HA THR 24 HA THR 24 -11.919 -6.701 1.521 171 HB THR 24 HB THR 24 -9.677 -6.311 2.845 172 HG1 THR 24 HG1 THR 24 -10.139 -6.766 4.916 173 HG21 THR 24 HG21 THR 24 -12.083 -4.470 2.989 174 HG22 THR 24 HG22 THR 24 -10.984 -4.604 1.615 175 HG23 THR 24 HG23 THR 24 -10.398 -3.973 3.155 176 H ASP 25 H ASP 25 -12.265 -9.036 0.967 177 HA ASP 25 HA ASP 25 -10.287 -10.893 1.866 178 HB2 ASP 25 HB2 ASP 25 -12.131 -10.913 -0.544 179 HB3 ASP 25 HB3 ASP 25 -10.898 -12.147 -0.327 180 H LEU 26 H LEU 26 -8.385 -10.058 1.780 181 HA LEU 26 HA LEU 26 -7.407 -8.748 -0.678 182 HB2 LEU 26 HB2 LEU 26 -7.840 -7.604 1.647 183 HB3 LEU 26 HB3 LEU 26 -6.347 -8.389 2.097 184 HG LEU 26 HG LEU 26 -5.250 -7.159 0.191 185 HD11 LEU 26 HD11 LEU 26 -7.877 -5.676 0.209 186 HD12 LEU 26 HD12 LEU 26 -7.268 -6.696 -1.095 187 HD13 LEU 26 HD13 LEU 26 -6.431 -5.201 -0.682 188 HD21 LEU 26 HD21 LEU 26 -5.042 -6.432 2.519 189 HD22 LEU 26 HD22 LEU 26 -6.549 -5.530 2.380 190 HD23 LEU 26 HD23 LEU 26 -5.143 -5.043 1.439 191 H SER 27 H SER 27 -7.339 -11.648 0.070 192 HA SER 27 HA SER 27 -4.544 -12.033 0.844 193 HB2 SER 27 HB2 SER 27 -6.724 -14.095 0.730 194 HB3 SER 27 HB3 SER 27 -5.201 -14.137 1.630 195 HG SER 27 HG SER 27 -7.582 -13.152 2.339 196 H GLY 28 H GLY 28 -3.225 -13.426 -0.382 197 HA2 GLY 28 HA2 GLY 28 -2.624 -14.848 -2.123 198 HA3 GLY 28 HA3 GLY 28 -4.256 -14.713 -2.771 199 H ASP 29 H ASP 29 -4.809 -12.634 -3.694 200 HA ASP 29 HA ASP 29 -2.702 -10.905 -4.606 201 HB2 ASP 29 HB2 ASP 29 -2.492 -12.564 -6.368 202 HB3 ASP 29 HB3 ASP 29 -4.239 -12.572 -6.623 203 H PHE 30 H PHE 30 -3.434 -8.963 -5.043 204 HA PHE 30 HA PHE 30 -6.233 -8.444 -5.583 205 HB2 PHE 30 HB2 PHE 30 -6.521 -6.968 -3.622 206 HB3 PHE 30 HB3 PHE 30 -6.186 -8.615 -3.124 207 HD1 PHE 30 HD2 PHE 30 -4.054 -9.193 -2.065 208 HD2 PHE 30 HD1 PHE 30 -4.938 -5.192 -3.183 209 HE1 PHE 30 HE2 PHE 30 -2.198 -8.396 -0.670 210 HE2 PHE 30 HE1 PHE 30 -3.074 -4.393 -1.794 211 HZ PHE 30 HZ PHE 30 -1.755 -5.992 -0.473 212 H LEU 31 H LEU 31 -3.292 -8.059 -6.483 213 HA LEU 31 HA LEU 31 -2.545 -5.417 -6.145 214 HB2 LEU 31 HB2 LEU 31 -1.722 -7.315 -8.322 215 HB3 LEU 31 HB3 LEU 31 -0.948 -5.783 -7.973 216 HG LEU 31 HG LEU 31 -1.018 -8.226 -6.208 217 HD11 LEU 31 HD11 LEU 31 1.408 -8.165 -6.469 218 HD12 LEU 31 HD12 LEU 31 1.252 -6.792 -7.566 219 HD13 LEU 31 HD13 LEU 31 0.578 -8.359 -8.012 220 HD21 LEU 31 HD21 LEU 31 0.342 -6.963 -4.617 221 HD22 LEU 31 HD22 LEU 31 -1.246 -6.223 -4.822 222 HD23 LEU 31 HD23 LEU 31 0.166 -5.511 -5.604 223 H ASP 32 H ASP 32 -4.725 -6.720 -8.557 224 HA ASP 32 HA ASP 32 -4.675 -4.072 -9.812 225 HB2 ASP 32 HB2 ASP 32 -5.706 -5.003 -11.812 226 HB3 ASP 32 HB3 ASP 32 -4.222 -5.853 -11.425 227 H LEU 33 H LEU 33 -6.301 -5.277 -7.419 228 HA LEU 33 HA LEU 33 -8.993 -4.691 -8.293 229 HB2 LEU 33 HB2 LEU 33 -7.853 -5.179 -5.538 230 HB3 LEU 33 HB3 LEU 33 -9.552 -4.933 -5.872 231 HG LEU 33 HG LEU 33 -7.878 -7.247 -6.850 232 HD11 LEU 33 HD11 LEU 33 -8.358 -7.336 -4.471 233 HD12 LEU 33 HD12 LEU 33 -9.286 -8.561 -5.346 234 HD13 LEU 33 HD13 LEU 33 -10.072 -7.078 -4.800 235 HD21 LEU 33 HD21 LEU 33 -9.997 -8.156 -7.660 236 HD22 LEU 33 HD22 LEU 33 -9.608 -6.632 -8.460 237 HD23 LEU 33 HD23 LEU 33 -10.821 -6.674 -7.180 238 H ARG 34 H ARG 34 -9.814 -2.710 -8.359 239 HA ARG 34 HA ARG 34 -8.100 -0.495 -7.744 240 HB2 ARG 34 HB2 ARG 34 -11.027 -0.411 -8.484 241 HB3 ARG 34 HB3 ARG 34 -9.897 0.931 -8.537 242 HG2 ARG 34 HG2 ARG 34 -8.631 -0.262 -10.297 243 HG3 ARG 34 HG3 ARG 34 -9.862 -1.526 -10.274 244 HD2 ARG 34 HD2 ARG 34 -10.348 -0.007 -12.075 245 HD3 ARG 34 HD3 ARG 34 -11.570 0.199 -10.815 246 HE ARG 34 HE ARG 34 -9.302 1.931 -10.601 247 HH11 ARG 34 HH11 ARG 34 -12.613 1.690 -11.882 248 HH12 ARG 34 HH12 ARG 34 -12.758 3.377 -12.129 249 HH21 ARG 34 HH21 ARG 34 -9.563 4.129 -10.839 250 HH22 ARG 34 HH22 ARG 34 -10.944 4.845 -11.555 251 H PHE 35 H PHE 35 -8.074 0.802 -6.071 252 HA PHE 35 HA PHE 35 -9.042 0.046 -3.607 253 HB2 PHE 35 HB2 PHE 35 -8.113 2.754 -4.538 254 HB3 PHE 35 HB3 PHE 35 -8.531 2.411 -2.863 255 HD1 PHE 35 HD2 PHE 35 -7.267 0.509 -1.710 256 HD2 PHE 35 HD1 PHE 35 -5.971 2.311 -5.327 257 HE1 PHE 35 HE2 PHE 35 -4.995 -0.317 -1.302 258 HE2 PHE 35 HE1 PHE 35 -3.695 1.483 -4.924 259 HZ PHE 35 HZ PHE 35 -3.203 0.172 -2.906 260 H GLU 36 H GLU 36 -10.525 2.279 -5.871 261 HA GLU 36 HA GLU 36 -12.571 3.170 -4.251 262 HB2 GLU 36 HB2 GLU 36 -13.807 3.759 -6.347 263 HB3 GLU 36 HB3 GLU 36 -12.142 4.295 -6.262 264 HG2 GLU 36 HG2 GLU 36 -12.484 3.629 -8.490 265 HG3 GLU 36 HG3 GLU 36 -11.539 2.350 -7.749 266 H ASP 37 H ASP 37 -12.338 0.160 -5.831 267 HA ASP 37 HA ASP 37 -15.107 -0.587 -5.395 268 HB2 ASP 37 HB2 ASP 37 -13.889 -1.540 -7.296 269 HB3 ASP 37 HB3 ASP 37 -12.715 -2.260 -6.205 270 H ILE 38 H ILE 38 -12.013 -1.090 -3.847 271 HA ILE 38 HA ILE 38 -13.195 -3.022 -2.031 272 HB ILE 38 HB ILE 38 -10.892 -3.410 -1.166 273 HG12 ILE 38 HG12 ILE 38 -10.079 -1.491 -3.371 274 HG13 ILE 38 HG13 ILE 38 -9.980 -1.160 -1.650 275 HG21 ILE 38 HG21 ILE 38 -10.058 -4.542 -3.193 276 HG22 ILE 38 HG22 ILE 38 -11.230 -3.639 -4.157 277 HG23 ILE 38 HG23 ILE 38 -11.790 -4.794 -2.951 278 HD11 ILE 38 HD11 ILE 38 -7.814 -1.712 -2.551 279 HD12 ILE 38 HD12 ILE 38 -8.424 -3.256 -3.150 280 HD13 ILE 38 HD13 ILE 38 -8.330 -2.954 -1.411 281 H GLY 39 H GLY 39 -13.528 -0.010 -1.966 282 HA2 GLY 39 HA2 GLY 39 -14.383 1.282 -0.221 283 HA3 GLY 39 HA3 GLY 39 -13.883 0.029 0.894 284 H TYR 40 H TYR 40 -11.443 1.250 -1.199 285 HA TYR 40 HA TYR 40 -10.337 2.581 1.137 286 HB2 TYR 40 HB2 TYR 40 -8.962 1.435 -1.285 287 HB3 TYR 40 HB3 TYR 40 -8.181 2.575 -0.227 288 HD1 TYR 40 HD1 TYR 40 -10.161 -0.554 0.079 289 HD2 TYR 40 HD2 TYR 40 -6.823 1.701 1.405 290 HE1 TYR 40 HE1 TYR 40 -9.549 -2.380 1.567 291 HE2 TYR 40 HE2 TYR 40 -6.170 -0.121 2.909 292 HH TYR 40 HH TYR 40 -7.670 -3.227 2.788 293 H ASP 41 H ASP 41 -9.945 4.566 1.249 294 HA ASP 41 HA ASP 41 -10.290 6.259 -1.133 295 HB2 ASP 41 HB2 ASP 41 -10.185 6.976 1.801 296 HB3 ASP 41 HB3 ASP 41 -10.237 8.137 0.485 297 H SER 42 H SER 42 -8.590 7.663 -1.697 298 HA SER 42 HA SER 42 -6.067 6.706 -1.345 299 HB2 SER 42 HB2 SER 42 -5.584 9.261 -2.106 300 HB3 SER 42 HB3 SER 42 -6.066 7.958 -3.198 301 H LEU 43 H LEU 43 -7.694 8.989 0.726 302 HA LEU 43 HA LEU 43 -5.426 9.838 2.189 303 HB2 LEU 43 HB2 LEU 43 -8.241 9.405 3.180 304 HB3 LEU 43 HB3 LEU 43 -6.992 10.268 4.052 305 HG LEU 43 HG LEU 43 -8.190 11.111 1.418 306 HD11 LEU 43 HD11 LEU 43 -9.204 12.902 2.732 307 HD12 LEU 43 HD12 LEU 43 -8.542 12.195 4.205 308 HD13 LEU 43 HD13 LEU 43 -9.750 11.316 3.268 309 HD21 LEU 43 HD21 LEU 43 -6.943 13.190 1.788 310 HD22 LEU 43 HD22 LEU 43 -5.862 11.804 1.638 311 HD23 LEU 43 HD23 LEU 43 -6.205 12.487 3.227 312 H ALA 44 H ALA 44 -7.571 7.060 2.779 313 HA ALA 44 HA ALA 44 -6.091 6.082 5.001 314 HB1 ALA 44 HB1 ALA 44 -7.360 4.002 4.678 315 HB2 ALA 44 HB2 ALA 44 -7.926 4.590 3.116 316 HB3 ALA 44 HB3 ALA 44 -8.420 5.411 4.598 317 H LEU 45 H LEU 45 -5.984 5.653 1.603 318 HA LEU 45 HA LEU 45 -4.157 3.533 1.366 319 HB2 LEU 45 HB2 LEU 45 -5.757 4.558 -0.254 320 HB3 LEU 45 HB3 LEU 45 -4.676 5.876 -0.507 321 HG LEU 45 HG LEU 45 -4.403 2.983 -1.308 322 HD11 LEU 45 HD11 LEU 45 -4.320 3.932 -3.545 323 HD12 LEU 45 HD12 LEU 45 -4.537 5.545 -2.852 324 HD13 LEU 45 HD13 LEU 45 -5.800 4.321 -2.670 325 HD21 LEU 45 HD21 LEU 45 -2.183 3.734 -0.601 326 HD22 LEU 45 HD22 LEU 45 -2.317 5.134 -1.675 327 HD23 LEU 45 HD23 LEU 45 -2.268 3.496 -2.347 328 H MET 46 H MET 46 -3.739 7.062 1.519 329 HA MET 46 HA MET 46 -0.945 7.268 1.301 330 HB2 MET 46 HB2 MET 46 -3.000 8.956 2.703 331 HB3 MET 46 HB3 MET 46 -1.294 9.369 2.728 332 HG2 MET 46 HG2 MET 46 -1.234 9.716 0.439 333 HG3 MET 46 HG3 MET 46 -2.786 8.926 0.182 334 HE1 MET 46 HE1 MET 46 -2.475 12.951 2.457 335 HE2 MET 46 HE2 MET 46 -1.057 12.044 1.935 336 HE3 MET 46 HE3 MET 46 -2.127 11.375 3.165 337 H GLU 47 H GLU 47 -3.027 6.746 4.024 338 HA GLU 47 HA GLU 47 -1.164 6.859 6.128 339 HB2 GLU 47 HB2 GLU 47 -3.787 6.680 5.964 340 HB3 GLU 47 HB3 GLU 47 -3.486 4.974 6.077 341 HG2 GLU 47 HG2 GLU 47 -2.613 6.966 8.166 342 HG3 GLU 47 HG3 GLU 47 -4.071 5.988 8.251 343 H THR 48 H THR 48 -2.251 4.246 4.038 344 HA THR 48 HA THR 48 -0.845 2.071 5.076 345 HB THR 48 HB THR 48 -1.570 2.742 2.217 346 HG1 THR 48 HG1 THR 48 -3.129 2.309 4.306 347 HG21 THR 48 HG21 THR 48 -1.646 0.290 1.908 348 HG22 THR 48 HG22 THR 48 -0.948 0.081 3.517 349 HG23 THR 48 HG23 THR 48 -0.022 0.901 2.239 350 H ALA 49 H ALA 49 -0.031 4.260 2.409 351 HA ALA 49 HA ALA 49 2.510 3.299 1.803 352 HB1 ALA 49 HB1 ALA 49 2.857 5.413 0.653 353 HB2 ALA 49 HB2 ALA 49 1.490 6.121 1.517 354 HB3 ALA 49 HB3 ALA 49 1.222 4.812 0.365 355 H ALA 50 H ALA 50 1.607 6.051 3.878 356 HA ALA 50 HA ALA 50 4.183 6.814 4.624 357 HB1 ALA 50 HB1 ALA 50 1.617 7.179 6.159 358 HB2 ALA 50 HB2 ALA 50 2.200 8.226 4.864 359 HB3 ALA 50 HB3 ALA 50 3.103 8.106 6.374 360 H ARG 51 H ARG 51 2.059 4.405 5.962 361 HA ARG 51 HA ARG 51 3.457 3.893 8.346 362 HB2 ARG 51 HB2 ARG 51 1.159 3.105 7.868 363 HB3 ARG 51 HB3 ARG 51 1.802 2.001 6.664 364 HG2 ARG 51 HG2 ARG 51 2.998 0.785 8.395 365 HG3 ARG 51 HG3 ARG 51 2.419 1.926 9.611 366 HD2 ARG 51 HD2 ARG 51 0.722 0.091 7.922 367 HD3 ARG 51 HD3 ARG 51 1.094 -0.116 9.631 368 HE ARG 51 HE ARG 51 -0.365 2.250 8.668 369 HH11 ARG 51 HH11 ARG 51 -0.200 -0.570 10.842 370 HH12 ARG 51 HH12 ARG 51 -1.638 -0.176 11.655 371 HH21 ARG 51 HH21 ARG 51 -2.327 2.731 9.746 372 HH22 ARG 51 HH22 ARG 51 -2.893 1.782 11.037 373 H LEU 52 H LEU 52 3.598 2.360 5.143 374 HA LEU 52 HA LEU 52 5.703 0.593 5.849 375 HB2 LEU 52 HB2 LEU 52 4.917 1.428 3.023 376 HB3 LEU 52 HB3 LEU 52 5.870 0.020 3.490 377 HG LEU 52 HG LEU 52 2.993 0.401 4.214 378 HD11 LEU 52 HD11 LEU 52 2.608 -1.375 2.580 379 HD12 LEU 52 HD12 LEU 52 4.321 -1.363 2.161 380 HD13 LEU 52 HD13 LEU 52 3.318 0.044 1.809 381 HD21 LEU 52 HD21 LEU 52 4.900 -1.907 4.561 382 HD22 LEU 52 HD22 LEU 52 3.174 -1.931 4.934 383 HD23 LEU 52 HD23 LEU 52 4.262 -0.884 5.849 384 H GLU 53 H GLU 53 5.637 3.856 4.611 385 HA GLU 53 HA GLU 53 8.304 4.180 3.857 386 HB2 GLU 53 HB2 GLU 53 6.528 6.143 5.284 387 HB3 GLU 53 HB3 GLU 53 8.083 6.559 4.588 388 HG2 GLU 53 HG2 GLU 53 7.167 5.914 2.369 389 HG3 GLU 53 HG3 GLU 53 5.596 5.692 3.144 390 H SER 54 H SER 54 6.824 4.732 6.988 391 HA SER 54 HA SER 54 9.136 5.406 8.397 392 HB2 SER 54 HB2 SER 54 6.651 4.093 9.497 393 HB3 SER 54 HB3 SER 54 7.788 5.132 10.359 394 HG SER 54 HG SER 54 5.786 5.770 8.544 395 H ARG 55 H ARG 55 7.439 2.318 8.057 396 HA ARG 55 HA ARG 55 9.140 0.933 9.824 397 HB2 ARG 55 HB2 ARG 55 6.860 0.195 9.396 398 HB3 ARG 55 HB3 ARG 55 7.292 -0.208 7.738 399 HG2 ARG 55 HG2 ARG 55 8.832 -1.899 8.519 400 HG3 ARG 55 HG3 ARG 55 8.491 -1.467 10.195 401 HD2 ARG 55 HD2 ARG 55 6.145 -2.114 9.856 402 HD3 ARG 55 HD3 ARG 55 6.530 -2.589 8.200 403 HE ARG 55 HE ARG 55 8.212 -3.855 10.119 404 HH11 ARG 55 HH11 ARG 55 4.968 -4.089 8.687 405 HH12 ARG 55 HH12 ARG 55 4.879 -5.776 8.869 406 HH21 ARG 55 HH21 ARG 55 8.077 -6.094 10.385 407 HH22 ARG 55 HH22 ARG 55 6.686 -6.966 9.873 408 H TYR 56 H TYR 56 9.112 0.956 6.236 409 HA TYR 56 HA TYR 56 11.401 -0.852 6.357 410 HB2 TYR 56 HB2 TYR 56 9.629 -0.125 4.038 411 HB3 TYR 56 HB3 TYR 56 10.993 -1.229 3.940 412 HD1 TYR 56 HD2 TYR 56 10.919 -3.376 5.235 413 HD2 TYR 56 HD1 TYR 56 7.538 -0.827 4.891 414 HE1 TYR 56 HE2 TYR 56 9.460 -5.226 5.940 415 HE2 TYR 56 HE1 TYR 56 6.072 -2.659 5.592 416 HH TYR 56 HH TYR 56 6.016 -5.050 5.720 417 H GLY 57 H GLY 57 10.807 2.458 5.746 418 HA2 GLY 57 HA2 GLY 57 12.510 4.041 5.480 419 HA3 GLY 57 HA3 GLY 57 13.604 2.746 5.001 420 H VAL 58 H VAL 58 10.545 4.094 3.857 421 HA VAL 58 HA VAL 58 11.753 4.354 1.213 422 HB VAL 58 HB VAL 58 9.767 3.647 0.027 423 HG11 VAL 58 HG11 VAL 58 11.268 1.871 0.574 424 HG12 VAL 58 HG12 VAL 58 9.595 1.297 0.600 425 HG13 VAL 58 HG13 VAL 58 10.438 1.626 2.113 426 HG21 VAL 58 HG21 VAL 58 8.457 3.151 2.695 427 HG22 VAL 58 HG22 VAL 58 7.776 2.728 1.123 428 HG23 VAL 58 HG23 VAL 58 8.039 4.420 1.545 429 H SER 59 H SER 59 10.132 5.781 -0.220 430 HA SER 59 HA SER 59 8.911 7.773 1.449 431 HB2 SER 59 HB2 SER 59 10.044 9.533 -0.020 432 HB3 SER 59 HB3 SER 59 11.067 8.725 1.169 433 HG SER 59 HG SER 59 11.800 8.995 -1.097 434 H ILE 60 H ILE 60 6.942 7.891 0.799 435 HA ILE 60 HA ILE 60 6.310 7.588 -2.067 436 HB ILE 60 HB ILE 60 4.465 6.917 0.250 437 HG12 ILE 60 HG12 ILE 60 6.275 5.267 0.242 438 HG13 ILE 60 HG13 ILE 60 4.777 4.527 -0.309 439 HG21 ILE 60 HG21 ILE 60 3.294 7.574 -1.756 440 HG22 ILE 60 HG22 ILE 60 3.065 5.851 -1.464 441 HG23 ILE 60 HG23 ILE 60 4.195 6.392 -2.705 442 HD11 ILE 60 HD11 ILE 60 6.681 3.770 -1.614 443 HD12 ILE 60 HD12 ILE 60 7.061 5.438 -2.053 444 HD13 ILE 60 HD13 ILE 60 5.567 4.693 -2.623 445 HA PRO 61 HA PRO 61 5.117 11.884 -1.144 446 HB2 PRO 61 HB2 PRO 61 4.345 11.728 -4.009 447 HB3 PRO 61 HB3 PRO 61 5.370 12.912 -3.191 448 HG2 PRO 61 HG2 PRO 61 6.424 11.073 -4.804 449 HG3 PRO 61 HG3 PRO 61 7.250 11.568 -3.316 450 HD2 PRO 61 HD2 PRO 61 5.662 9.098 -3.873 451 HD3 PRO 61 HD3 PRO 61 7.160 9.292 -2.936 452 H ASP 62 H ASP 62 3.163 12.570 -0.518 453 HA ASP 62 HA ASP 62 0.943 10.879 -0.428 454 HB2 ASP 62 HB2 ASP 62 -0.295 12.685 0.573 455 HB3 ASP 62 HB3 ASP 62 1.342 12.715 1.197 456 H ASP 63 H ASP 63 1.870 13.165 -2.827 457 HA ASP 63 HA ASP 63 -0.632 13.439 -4.168 458 HB2 ASP 63 HB2 ASP 63 1.154 15.022 -4.591 459 HB3 ASP 63 HB3 ASP 63 2.232 13.737 -5.109 460 H VAL 64 H VAL 64 2.094 11.287 -4.483 461 HA VAL 64 HA VAL 64 1.055 9.815 -6.735 462 HB VAL 64 HB VAL 64 3.229 9.040 -4.785 463 HG11 VAL 64 HG11 VAL 64 2.665 8.118 -7.612 464 HG12 VAL 64 HG12 VAL 64 2.412 7.183 -6.137 465 HG13 VAL 64 HG13 VAL 64 4.046 7.618 -6.631 466 HG21 VAL 64 HG21 VAL 64 3.473 10.531 -7.401 467 HG22 VAL 64 HG22 VAL 64 4.823 9.935 -6.434 468 HG23 VAL 64 HG23 VAL 64 3.764 11.185 -5.790 469 H ALA 65 H ALA 65 1.227 9.377 -3.260 470 HA ALA 65 HA ALA 65 0.073 6.836 -3.099 471 HB1 ALA 65 HB1 ALA 65 1.184 7.904 -1.219 472 HB2 ALA 65 HB2 ALA 65 -0.453 7.418 -0.770 473 HB3 ALA 65 HB3 ALA 65 -0.096 9.110 -1.137 474 H GLY 66 H GLY 66 -1.398 9.891 -3.815 475 HA2 GLY 66 HA2 GLY 66 -4.076 8.772 -3.446 476 HA3 GLY 66 HA3 GLY 66 -3.697 10.457 -3.779 477 H ARG 67 H ARG 67 -1.785 8.780 -5.763 478 HA ARG 67 HA ARG 67 -3.544 9.183 -8.079 479 HB2 ARG 67 HB2 ARG 67 -1.422 10.338 -8.140 480 HB3 ARG 67 HB3 ARG 67 -0.556 8.855 -7.794 481 HG2 ARG 67 HG2 ARG 67 -1.245 7.964 -9.970 482 HG3 ARG 67 HG3 ARG 67 -2.082 9.481 -10.309 483 HD2 ARG 67 HD2 ARG 67 -0.018 10.698 -10.240 484 HD3 ARG 67 HD3 ARG 67 0.858 9.273 -9.678 485 HE ARG 67 HE ARG 67 -0.106 8.379 -11.952 486 HH11 ARG 67 HH11 ARG 67 1.509 11.498 -11.282 487 HH12 ARG 67 HH12 ARG 67 2.137 11.646 -12.865 488 HH21 ARG 67 HH21 ARG 67 0.894 8.559 -14.079 489 HH22 ARG 67 HH22 ARG 67 1.819 9.943 -14.452 490 H VAL 68 H VAL 68 -1.896 6.779 -6.269 491 HA VAL 68 HA VAL 68 -1.953 4.767 -8.282 492 HB VAL 68 HB VAL 68 -1.254 3.236 -6.358 493 HG11 VAL 68 HG11 VAL 68 0.341 5.753 -6.801 494 HG12 VAL 68 HG12 VAL 68 0.363 4.322 -7.831 495 HG13 VAL 68 HG13 VAL 68 0.979 4.233 -6.178 496 HG21 VAL 68 HG21 VAL 68 -2.279 4.527 -4.522 497 HG22 VAL 68 HG22 VAL 68 -1.159 5.853 -4.858 498 HG23 VAL 68 HG23 VAL 68 -0.543 4.307 -4.277 499 H ASP 69 H ASP 69 -3.699 3.982 -8.953 500 HA ASP 69 HA ASP 69 -6.145 4.001 -7.379 501 HB2 ASP 69 HB2 ASP 69 -6.210 4.878 -9.633 502 HB3 ASP 69 HB3 ASP 69 -5.534 3.391 -10.261 503 H THR 70 H THR 70 -3.808 1.828 -8.660 504 HA THR 70 HA THR 70 -5.323 -0.397 -7.519 505 HB THR 70 HB THR 70 -4.051 -1.871 -9.140 506 HG1 THR 70 HG1 THR 70 -3.187 0.691 -9.999 507 HG21 THR 70 HG21 THR 70 -6.372 -1.236 -9.576 508 HG22 THR 70 HG22 THR 70 -5.462 -1.275 -11.086 509 HG23 THR 70 HG23 THR 70 -5.830 0.270 -10.312 510 HA PRO 71 HA PRO 71 -2.256 -0.929 -4.381 511 HB2 PRO 71 HB2 PRO 71 -2.602 -3.831 -4.976 512 HB3 PRO 71 HB3 PRO 71 -2.679 -2.984 -3.426 513 HG2 PRO 71 HG2 PRO 71 -4.902 -3.758 -4.603 514 HG3 PRO 71 HG3 PRO 71 -4.813 -2.156 -3.841 515 HD2 PRO 71 HD2 PRO 71 -4.683 -2.896 -6.731 516 HD3 PRO 71 HD3 PRO 71 -5.496 -1.521 -5.958 517 H ARG 72 H ARG 72 -1.940 -2.848 -7.293 518 HA ARG 72 HA ARG 72 0.674 -3.730 -7.154 519 HB2 ARG 72 HB2 ARG 72 -0.887 -4.379 -8.901 520 HB3 ARG 72 HB3 ARG 72 -0.868 -2.751 -9.551 521 HG2 ARG 72 HG2 ARG 72 1.428 -3.005 -10.232 522 HG3 ARG 72 HG3 ARG 72 1.507 -4.599 -9.471 523 HD2 ARG 72 HD2 ARG 72 1.144 -4.723 -11.911 524 HD3 ARG 72 HD3 ARG 72 -0.166 -5.452 -10.982 525 HE ARG 72 HE ARG 72 -0.519 -2.688 -11.764 526 HH11 ARG 72 HH11 ARG 72 -1.240 -6.095 -12.475 527 HH12 ARG 72 HH12 ARG 72 -2.515 -5.766 -13.542 528 HH21 ARG 72 HH21 ARG 72 -2.403 -2.237 -13.172 529 HH22 ARG 72 HH22 ARG 72 -3.154 -3.535 -13.977 530 H GLU 73 H GLU 73 -0.538 -0.571 -8.187 531 HA GLU 73 HA GLU 73 1.898 0.509 -9.097 532 HB2 GLU 73 HB2 GLU 73 -0.531 1.888 -7.967 533 HB3 GLU 73 HB3 GLU 73 0.761 2.670 -8.855 534 HG2 GLU 73 HG2 GLU 73 0.185 1.439 -10.842 535 HG3 GLU 73 HG3 GLU 73 -1.045 0.540 -9.949 536 H LEU 74 H LEU 74 0.249 0.566 -5.997 537 HA LEU 74 HA LEU 74 2.057 2.347 -4.720 538 HB2 LEU 74 HB2 LEU 74 -0.358 1.865 -4.053 539 HB3 LEU 74 HB3 LEU 74 0.194 0.333 -3.429 540 HG LEU 74 HG LEU 74 -0.259 2.104 -1.705 541 HD11 LEU 74 HD11 LEU 74 2.562 1.063 -1.745 542 HD12 LEU 74 HD12 LEU 74 1.144 0.217 -1.127 543 HD13 LEU 74 HD13 LEU 74 1.707 1.690 -0.334 544 HD21 LEU 74 HD21 LEU 74 2.204 3.382 -2.871 545 HD22 LEU 74 HD22 LEU 74 1.418 3.853 -1.366 546 HD23 LEU 74 HD23 LEU 74 0.565 4.036 -2.897 547 H LEU 75 H LEU 75 1.682 -1.171 -4.728 548 HA LEU 75 HA LEU 75 3.787 -1.841 -3.017 549 HB2 LEU 75 HB2 LEU 75 2.049 -3.406 -3.844 550 HB3 LEU 75 HB3 LEU 75 2.808 -3.384 -5.422 551 HG LEU 75 HG LEU 75 4.840 -4.381 -4.441 552 HD11 LEU 75 HD11 LEU 75 4.606 -3.545 -2.173 553 HD12 LEU 75 HD12 LEU 75 4.742 -5.303 -2.178 554 HD13 LEU 75 HD13 LEU 75 3.171 -4.542 -1.938 555 HD21 LEU 75 HD21 LEU 75 3.153 -5.805 -5.456 556 HD22 LEU 75 HD22 LEU 75 2.285 -5.891 -3.927 557 HD23 LEU 75 HD23 LEU 75 3.891 -6.611 -4.071 558 H ASP 76 H ASP 76 3.743 -1.262 -6.477 559 HA ASP 76 HA ASP 76 6.431 -1.863 -7.045 560 HB2 ASP 76 HB2 ASP 76 4.817 -1.716 -8.827 561 HB3 ASP 76 HB3 ASP 76 4.467 -0.038 -8.438 562 H LEU 77 H LEU 77 4.867 1.119 -6.002 563 HA LEU 77 HA LEU 77 7.049 2.901 -6.240 564 HB2 LEU 77 HB2 LEU 77 4.871 2.879 -4.156 565 HB3 LEU 77 HB3 LEU 77 5.933 4.220 -4.501 566 HG LEU 77 HG LEU 77 3.873 3.098 -6.383 567 HD11 LEU 77 HD11 LEU 77 2.649 5.158 -5.857 568 HD12 LEU 77 HD12 LEU 77 3.881 5.578 -4.669 569 HD13 LEU 77 HD13 LEU 77 2.880 4.151 -4.432 570 HD21 LEU 77 HD21 LEU 77 4.328 5.118 -7.693 571 HD22 LEU 77 HD22 LEU 77 5.777 4.121 -7.540 572 HD23 LEU 77 HD23 LEU 77 5.595 5.573 -6.553 573 H ILE 78 H ILE 78 5.856 0.998 -3.527 574 HA ILE 78 HA ILE 78 7.764 1.601 -1.585 575 HB ILE 78 HB ILE 78 6.416 -1.092 -2.028 576 HG12 ILE 78 HG12 ILE 78 4.755 0.723 -1.866 577 HG13 ILE 78 HG13 ILE 78 4.689 -0.343 -0.469 578 HG21 ILE 78 HG21 ILE 78 6.740 -1.414 0.379 579 HG22 ILE 78 HG22 ILE 78 7.617 0.111 0.457 580 HG23 ILE 78 HG23 ILE 78 8.270 -1.234 -0.479 581 HD11 ILE 78 HD11 ILE 78 4.429 1.985 0.173 582 HD12 ILE 78 HD12 ILE 78 5.983 2.375 -0.566 583 HD13 ILE 78 HD13 ILE 78 5.918 1.316 0.843 584 H ASN 79 H ASN 79 7.650 -1.160 -3.807 585 HA ASN 79 HA ASN 79 10.147 -2.261 -3.292 586 HB2 ASN 79 HB2 ASN 79 8.305 -2.380 -5.619 587 HB3 ASN 79 HB3 ASN 79 9.952 -2.946 -5.849 588 HD21 ASN 79 HD21 ASN 79 6.971 -3.478 -4.177 589 HD22 ASN 79 HD22 ASN 79 7.342 -5.092 -3.670 590 H GLY 80 H GLY 80 9.305 0.345 -5.493 591 HA2 GLY 80 HA2 GLY 80 11.766 0.573 -6.792 592 HA3 GLY 80 HA3 GLY 80 10.585 1.862 -6.587 593 H ALA 81 H ALA 81 10.523 2.230 -3.940 594 HA ALA 81 HA ALA 81 12.918 3.699 -3.488 595 HB1 ALA 81 HB1 ALA 81 11.910 4.334 -1.362 596 HB2 ALA 81 HB2 ALA 81 10.676 3.090 -1.561 597 HB3 ALA 81 HB3 ALA 81 10.732 4.460 -2.669 598 H LEU 82 H LEU 82 11.695 0.625 -2.350 599 HA LEU 82 HA LEU 82 13.700 0.115 -0.408 600 HB2 LEU 82 HB2 LEU 82 11.960 -1.748 -2.010 601 HB3 LEU 82 HB3 LEU 82 13.073 -2.298 -0.779 602 HG LEU 82 HG LEU 82 10.780 -0.418 -0.250 603 HD11 LEU 82 HD11 LEU 82 11.011 -3.390 0.187 604 HD12 LEU 82 HD12 LEU 82 9.980 -2.593 -1.001 605 HD13 LEU 82 HD13 LEU 82 9.682 -2.364 0.723 606 HD21 LEU 82 HD21 LEU 82 12.575 -2.002 1.583 607 HD22 LEU 82 HD22 LEU 82 11.206 -1.006 2.083 608 HD23 LEU 82 HD23 LEU 82 12.620 -0.255 1.342 609 H ALA 83 H ALA 83 13.465 -0.515 -3.851 610 HA ALA 83 HA ALA 83 15.827 -2.010 -4.143 611 HB1 ALA 83 HB1 ALA 83 15.645 -1.521 -6.519 612 HB2 ALA 83 HB2 ALA 83 14.471 -0.249 -6.183 613 HB3 ALA 83 HB3 ALA 83 14.067 -1.931 -5.850 614 H GLU 84 H GLU 84 15.365 1.230 -3.388 615 HA GLU 84 HA GLU 84 16.568 3.091 -3.270 616 HB2 GLU 84 HB2 GLU 84 18.857 2.854 -2.315 617 HB3 GLU 84 HB3 GLU 84 17.686 1.825 -1.521 618 HG2 GLU 84 HG2 GLU 84 18.554 -0.072 -2.910 619 HG3 GLU 84 HG3 GLU 84 19.825 1.012 -3.471 620 H ALA 85 H ALA 85 16.196 2.229 -5.842 621 HA ALA 85 HA ALA 85 18.200 3.775 -7.242 622 HB1 ALA 85 HB1 ALA 85 18.637 2.021 -8.913 623 HB2 ALA 85 HB2 ALA 85 17.662 0.888 -7.976 624 HB3 ALA 85 HB3 ALA 85 19.164 1.521 -7.305 625 H ALA 86 H ALA 86 15.496 1.521 -7.636 626 HA ALA 86 HA ALA 86 13.561 1.539 -8.697 627 HB1 ALA 86 HB1 ALA 86 13.729 4.552 -8.489 628 HB2 ALA 86 HB2 ALA 86 13.096 3.481 -7.241 629 HB3 ALA 86 HB3 ALA 86 12.268 3.608 -8.795 630 H28 SXA 87 H28A SXA 87 -10.045 9.445 -3.367 631 H28A SXA 87 H28B SXA 87 -10.688 10.106 -1.869 632 H30 SXA 87 H30A SXA 87 -10.565 12.970 -3.079 633 H30A SXA 87 H30B SXA 87 -11.849 12.406 -2.009 634 H30B SXA 87 H30C SXA 87 -12.243 13.050 -3.606 635 H31 SXA 87 H31A SXA 87 -10.069 11.724 -5.197 636 H31A SXA 87 H31B SXA 87 -11.769 11.691 -5.665 637 H31B SXA 87 H31C SXA 87 -10.867 10.182 -5.512 638 H32 SXA 87 H32A SXA 87 -13.004 10.108 -2.462 639 HO33 SXA 87 H33A SXA 87 -13.189 8.883 -4.765 640 HN36 SXA 87 H36A SXA 87 -13.758 12.542 -3.382 641 H37 SXA 87 H37A SXA 87 -15.667 12.272 -5.577 642 H37A SXA 87 H37B SXA 87 -16.312 12.640 -3.973 643 H38 SXA 87 H38A SXA 87 -14.272 14.301 -5.480 644 H38A SXA 87 H38B SXA 87 -15.991 14.630 -5.414 645 HN41 SXA 87 H41A SXA 87 -13.994 16.407 -4.663 646 H42 SXA 87 H42A SXA 87 -14.824 17.814 -2.600 647 H42A SXA 87 H42B SXA 87 -13.890 16.573 -1.766 648 H43 SXA 87 H43A SXA 87 -11.905 17.195 -3.062 649 H43A SXA 87 H43B SXA 87 -12.557 18.601 -2.197 650 H2 SXA 87 H2C SXA 87 -10.781 21.244 -5.462 651 H2A SXA 87 H2A SXA 87 -11.986 20.321 -6.368 652 H2B SXA 87 H2B SXA 87 -10.286 19.832 -6.406 Start of MODEL 4 1 H1 MET 1 H1 MET 1 20.099 -8.590 -4.352 2 H2 MET 1 H2 MET 1 21.620 -8.461 -3.581 3 H3 MET 1 H3 MET 1 20.604 -7.114 -3.770 4 HA MET 1 HA MET 1 19.803 -9.476 -2.256 5 HB2 MET 1 HB2 MET 1 21.750 -8.459 -1.140 6 HB3 MET 1 HB3 MET 1 20.980 -6.883 -1.204 7 HG2 MET 1 HG2 MET 1 20.822 -7.833 1.018 8 HG3 MET 1 HG3 MET 1 19.223 -7.681 0.288 9 HE1 MET 1 HE1 MET 1 19.780 -9.441 2.857 10 HE2 MET 1 HE2 MET 1 18.849 -10.888 2.473 11 HE3 MET 1 HE3 MET 1 18.198 -9.293 2.096 12 H ALA 2 H ALA 2 19.354 -5.972 -1.691 13 HA ALA 2 HA ALA 2 17.622 -4.660 -1.575 14 HB1 ALA 2 HB1 ALA 2 17.342 -5.137 -3.986 15 HB2 ALA 2 HB2 ALA 2 15.793 -4.852 -3.191 16 HB3 ALA 2 HB3 ALA 2 16.293 -6.497 -3.582 17 H THR 3 H THR 3 15.021 -4.818 -1.315 18 HA THR 3 HA THR 3 14.242 -7.111 0.261 19 HB THR 3 HB THR 3 14.128 -4.240 1.291 20 HG1 THR 3 HG1 THR 3 15.912 -6.291 1.575 21 HG21 THR 3 HG21 THR 3 12.181 -5.591 1.979 22 HG22 THR 3 HG22 THR 3 13.224 -5.246 3.358 23 HG23 THR 3 HG23 THR 3 13.262 -6.838 2.599 24 H LEU 4 H LEU 4 12.485 -7.624 -0.889 25 HA LEU 4 HA LEU 4 10.962 -5.396 -2.043 26 HB2 LEU 4 HB2 LEU 4 11.230 -8.193 -3.130 27 HB3 LEU 4 HB3 LEU 4 10.267 -6.912 -3.827 28 HG LEU 4 HG LEU 4 13.280 -6.912 -3.610 29 HD11 LEU 4 HD11 LEU 4 11.470 -7.255 -5.989 30 HD12 LEU 4 HD12 LEU 4 12.477 -8.504 -5.252 31 HD13 LEU 4 HD13 LEU 4 13.227 -7.119 -6.045 32 HD21 LEU 4 HD21 LEU 4 11.408 -4.933 -4.913 33 HD22 LEU 4 HD22 LEU 4 13.168 -4.901 -5.010 34 HD23 LEU 4 HD23 LEU 4 12.364 -4.653 -3.458 35 H LEU 5 H LEU 5 9.246 -5.072 -0.909 36 HA LEU 5 HA LEU 5 7.946 -7.095 0.608 37 HB2 LEU 5 HB2 LEU 5 6.847 -4.436 -0.290 38 HB3 LEU 5 HB3 LEU 5 6.137 -5.483 0.915 39 HG LEU 5 HG LEU 5 8.669 -3.881 1.129 40 HD11 LEU 5 HD11 LEU 5 6.077 -3.855 2.645 41 HD12 LEU 5 HD12 LEU 5 6.581 -2.690 1.430 42 HD13 LEU 5 HD13 LEU 5 7.465 -2.810 2.956 43 HD21 LEU 5 HD21 LEU 5 8.901 -4.798 3.397 44 HD22 LEU 5 HD22 LEU 5 9.036 -6.067 2.175 45 HD23 LEU 5 HD23 LEU 5 7.542 -5.884 3.092 46 H THR 6 H THR 6 6.350 -8.364 0.029 47 HA THR 6 HA THR 6 5.472 -8.071 -2.713 48 HB THR 6 HB THR 6 4.892 -10.593 -2.522 49 HG1 THR 6 HG1 THR 6 5.359 -10.532 -0.154 50 HG21 THR 6 HG21 THR 6 7.773 -9.665 -2.530 51 HG22 THR 6 HG22 THR 6 6.696 -9.711 -3.926 52 HG23 THR 6 HG23 THR 6 7.192 -11.213 -3.147 53 H THR 7 H THR 7 3.354 -9.762 -2.788 54 HA THR 7 HA THR 7 1.179 -8.230 -2.369 55 HB THR 7 HB THR 7 1.447 -11.230 -2.350 56 HG1 THR 7 HG1 THR 7 0.620 -10.658 -4.626 57 HG21 THR 7 HG21 THR 7 -0.987 -9.534 -2.902 58 HG22 THR 7 HG22 THR 7 -0.758 -10.593 -1.510 59 HG23 THR 7 HG23 THR 7 -0.883 -11.279 -3.131 60 H ASP 8 H ASP 8 2.411 -10.706 -0.081 61 HA ASP 8 HA ASP 8 0.255 -10.526 1.713 62 HB2 ASP 8 HB2 ASP 8 1.796 -12.436 1.733 63 HB3 ASP 8 HB3 ASP 8 3.075 -11.389 2.341 64 H ASP 9 H ASP 9 3.384 -8.883 1.781 65 HA ASP 9 HA ASP 9 3.033 -7.576 4.290 66 HB2 ASP 9 HB2 ASP 9 5.029 -7.580 2.299 67 HB3 ASP 9 HB3 ASP 9 4.522 -5.898 2.487 68 H LEU 10 H LEU 10 2.413 -6.624 0.993 69 HA LEU 10 HA LEU 10 1.459 -4.041 1.449 70 HB2 LEU 10 HB2 LEU 10 2.016 -5.004 -0.759 71 HB3 LEU 10 HB3 LEU 10 0.609 -6.032 -0.650 72 HG LEU 10 HG LEU 10 -0.820 -3.993 -0.638 73 HD11 LEU 10 HD11 LEU 10 0.163 -1.866 -1.339 74 HD12 LEU 10 HD12 LEU 10 1.771 -2.581 -1.248 75 HD13 LEU 10 HD13 LEU 10 0.805 -2.397 0.216 76 HD21 LEU 10 HD21 LEU 10 -0.442 -5.244 -2.677 77 HD22 LEU 10 HD22 LEU 10 1.032 -4.323 -2.986 78 HD23 LEU 10 HD23 LEU 10 -0.537 -3.517 -3.021 79 H ARG 11 H ARG 11 -0.273 -7.119 1.126 80 HA ARG 11 HA ARG 11 -2.828 -6.260 1.714 81 HB2 ARG 11 HB2 ARG 11 -2.334 -8.516 0.918 82 HB3 ARG 11 HB3 ARG 11 -1.584 -8.904 2.463 83 HG2 ARG 11 HG2 ARG 11 -3.756 -8.534 3.574 84 HG3 ARG 11 HG3 ARG 11 -4.484 -8.227 2.000 85 HD2 ARG 11 HD2 ARG 11 -4.905 -10.512 2.728 86 HD3 ARG 11 HD3 ARG 11 -3.887 -10.479 1.287 87 HE ARG 11 HE ARG 11 -1.990 -10.851 2.786 88 HH11 ARG 11 HH11 ARG 11 -5.253 -11.853 3.888 89 HH12 ARG 11 HH12 ARG 11 -4.635 -12.976 5.002 90 HH21 ARG 11 HH21 ARG 11 -1.195 -12.431 4.290 91 HH22 ARG 11 HH22 ARG 11 -2.305 -13.315 5.238 92 H ARG 12 H ARG 12 -0.299 -7.306 4.001 93 HA ARG 12 HA ARG 12 -1.702 -7.178 6.426 94 HB2 ARG 12 HB2 ARG 12 1.126 -6.182 6.011 95 HB3 ARG 12 HB3 ARG 12 0.410 -6.652 7.541 96 HG2 ARG 12 HG2 ARG 12 0.345 -8.947 6.816 97 HG3 ARG 12 HG3 ARG 12 0.964 -8.480 5.223 98 HD2 ARG 12 HD2 ARG 12 2.930 -7.462 6.457 99 HD3 ARG 12 HD3 ARG 12 2.358 -8.326 7.880 100 HE ARG 12 HE ARG 12 2.554 -10.146 5.765 101 HH11 ARG 12 HH11 ARG 12 4.698 -8.258 7.877 102 HH12 ARG 12 HH12 ARG 12 6.026 -9.291 7.639 103 HH21 ARG 12 HH21 ARG 12 4.328 -11.470 5.440 104 HH22 ARG 12 HH22 ARG 12 5.840 -11.155 6.217 105 H ALA 13 H ALA 13 0.064 -4.672 4.717 106 HA ALA 13 HA ALA 13 -0.382 -2.592 6.514 107 HB1 ALA 13 HB1 ALA 13 0.105 -2.416 3.546 108 HB2 ALA 13 HB2 ALA 13 1.348 -2.535 4.791 109 HB3 ALA 13 HB3 ALA 13 0.309 -1.111 4.714 110 H LEU 14 H LEU 14 -2.185 -3.533 3.594 111 HA LEU 14 HA LEU 14 -4.056 -1.451 3.907 112 HB2 LEU 14 HB2 LEU 14 -4.125 -3.944 2.236 113 HB3 LEU 14 HB3 LEU 14 -5.565 -2.970 2.405 114 HG LEU 14 HG LEU 14 -4.245 -1.022 1.496 115 HD11 LEU 14 HD11 LEU 14 -2.013 -1.791 1.895 116 HD12 LEU 14 HD12 LEU 14 -2.265 -1.483 0.174 117 HD13 LEU 14 HD13 LEU 14 -2.251 -3.138 0.784 118 HD21 LEU 14 HD21 LEU 14 -5.824 -2.198 0.117 119 HD22 LEU 14 HD22 LEU 14 -4.610 -3.413 -0.287 120 HD23 LEU 14 HD23 LEU 14 -4.410 -1.751 -0.838 121 H VAL 15 H VAL 15 -4.201 -4.820 4.931 122 HA VAL 15 HA VAL 15 -6.794 -4.825 6.003 123 HB VAL 15 HB VAL 15 -4.332 -6.353 6.951 124 HG11 VAL 15 HG11 VAL 15 -5.890 -7.901 8.050 125 HG12 VAL 15 HG12 VAL 15 -7.241 -6.856 7.611 126 HG13 VAL 15 HG13 VAL 15 -6.010 -6.281 8.735 127 HG21 VAL 15 HG21 VAL 15 -5.316 -8.222 5.710 128 HG22 VAL 15 HG22 VAL 15 -4.966 -6.851 4.661 129 HG23 VAL 15 HG23 VAL 15 -6.627 -7.170 5.170 130 H GLU 16 H GLU 16 -3.713 -4.101 7.620 131 HA GLU 16 HA GLU 16 -4.944 -3.463 10.078 132 HB2 GLU 16 HB2 GLU 16 -2.163 -2.922 9.060 133 HB3 GLU 16 HB3 GLU 16 -2.684 -2.628 10.719 134 HG2 GLU 16 HG2 GLU 16 -3.177 -4.963 11.030 135 HG3 GLU 16 HG3 GLU 16 -2.808 -5.303 9.344 136 H SER 17 H SER 17 -4.348 -1.542 7.253 137 HA SER 17 HA SER 17 -4.702 0.961 8.649 138 HB2 SER 17 HB2 SER 17 -4.831 0.355 5.684 139 HB3 SER 17 HB3 SER 17 -4.796 1.975 6.393 140 HG SER 17 HG SER 17 -2.822 -0.030 6.397 141 H ALA 18 H ALA 18 -6.657 -1.095 6.519 142 HA ALA 18 HA ALA 18 -9.017 0.500 6.787 143 HB1 ALA 18 HB1 ALA 18 -8.529 -0.734 4.753 144 HB2 ALA 18 HB2 ALA 18 -10.069 -1.241 5.453 145 HB3 ALA 18 HB3 ALA 18 -8.636 -2.255 5.638 146 H GLY 19 H GLY 19 -7.636 -1.094 9.094 147 HA2 GLY 19 HA2 GLY 19 -9.582 -2.934 10.073 148 HA3 GLY 19 HA3 GLY 19 -8.254 -2.245 10.997 149 H GLU 20 H GLU 20 -11.401 -1.599 9.752 150 HA GLU 20 HA GLU 20 -12.243 -0.241 12.175 151 HB2 GLU 20 HB2 GLU 20 -13.075 1.708 10.885 152 HB3 GLU 20 HB3 GLU 20 -11.326 1.572 10.811 153 HG2 GLU 20 HG2 GLU 20 -11.594 0.481 8.569 154 HG3 GLU 20 HG3 GLU 20 -13.310 0.870 8.661 155 H THR 21 H THR 21 -12.745 -2.747 11.076 156 HA THR 21 HA THR 21 -14.267 -4.213 10.519 157 HB THR 21 HB THR 21 -16.395 -2.035 10.798 158 HG1 THR 21 HG1 THR 21 -15.004 -2.331 12.718 159 HG21 THR 21 HG21 THR 21 -16.528 -5.045 11.117 160 HG22 THR 21 HG22 THR 21 -17.169 -4.133 9.753 161 HG23 THR 21 HG23 THR 21 -17.868 -3.925 11.361 162 H ASP 22 H ASP 22 -12.943 -3.776 8.570 163 HA ASP 22 HA ASP 22 -14.136 -2.425 6.360 164 HB2 ASP 22 HB2 ASP 22 -12.232 -3.289 5.035 165 HB3 ASP 22 HB3 ASP 22 -11.712 -2.513 6.518 166 H GLY 23 H GLY 23 -13.412 -5.888 6.849 167 HA2 GLY 23 HA2 GLY 23 -14.616 -7.725 6.223 168 HA3 GLY 23 HA3 GLY 23 -15.933 -6.658 5.742 169 H THR 24 H THR 24 -12.644 -6.361 4.501 170 HA THR 24 HA THR 24 -13.690 -7.327 1.955 171 HB THR 24 HB THR 24 -13.463 -4.888 1.895 172 HG1 THR 24 HG1 THR 24 -12.488 -6.444 0.108 173 HG21 THR 24 HG21 THR 24 -11.319 -3.733 2.121 174 HG22 THR 24 HG22 THR 24 -10.530 -5.269 2.487 175 HG23 THR 24 HG23 THR 24 -11.718 -4.611 3.606 176 H ASP 25 H ASP 25 -12.895 -9.352 1.838 177 HA ASP 25 HA ASP 25 -10.279 -10.007 2.732 178 HB2 ASP 25 HB2 ASP 25 -11.846 -11.830 2.635 179 HB3 ASP 25 HB3 ASP 25 -12.133 -11.555 0.914 180 H LEU 26 H LEU 26 -8.492 -9.725 1.869 181 HA LEU 26 HA LEU 26 -8.331 -8.727 -0.906 182 HB2 LEU 26 HB2 LEU 26 -8.311 -7.191 1.169 183 HB3 LEU 26 HB3 LEU 26 -6.738 -7.874 1.483 184 HG LEU 26 HG LEU 26 -5.976 -6.973 -0.703 185 HD11 LEU 26 HD11 LEU 26 -8.166 -6.859 -1.806 186 HD12 LEU 26 HD12 LEU 26 -7.375 -5.282 -1.793 187 HD13 LEU 26 HD13 LEU 26 -8.683 -5.624 -0.660 188 HD21 LEU 26 HD21 LEU 26 -5.872 -4.661 0.098 189 HD22 LEU 26 HD22 LEU 26 -5.581 -5.806 1.400 190 HD23 LEU 26 HD23 LEU 26 -7.141 -5.008 1.267 191 H SER 27 H SER 27 -7.861 -11.492 -0.209 192 HA SER 27 HA SER 27 -4.990 -11.674 0.254 193 HB2 SER 27 HB2 SER 27 -5.496 -14.136 0.634 194 HB3 SER 27 HB3 SER 27 -6.162 -13.006 1.811 195 HG SER 27 HG SER 27 -8.171 -13.386 1.083 196 H GLY 28 H GLY 28 -3.553 -12.694 -1.085 197 HA2 GLY 28 HA2 GLY 28 -2.697 -13.636 -2.955 198 HA3 GLY 28 HA3 GLY 28 -4.307 -14.219 -3.336 199 H ASP 29 H ASP 29 -5.576 -13.074 -4.682 200 HA ASP 29 HA ASP 29 -4.119 -11.209 -6.351 201 HB2 ASP 29 HB2 ASP 29 -5.026 -12.946 -7.649 202 HB3 ASP 29 HB3 ASP 29 -6.585 -12.856 -6.839 203 H PHE 30 H PHE 30 -4.254 -9.287 -5.700 204 HA PHE 30 HA PHE 30 -6.837 -7.979 -5.793 205 HB2 PHE 30 HB2 PHE 30 -6.715 -6.889 -3.663 206 HB3 PHE 30 HB3 PHE 30 -6.512 -8.607 -3.379 207 HD1 PHE 30 HD2 PHE 30 -4.202 -9.471 -2.856 208 HD2 PHE 30 HD1 PHE 30 -5.100 -5.322 -3.012 209 HE1 PHE 30 HE2 PHE 30 -2.177 -8.978 -1.561 210 HE2 PHE 30 HE1 PHE 30 -3.074 -4.827 -1.715 211 HZ PHE 30 HZ PHE 30 -1.612 -6.656 -0.987 212 H LEU 31 H LEU 31 -3.664 -8.092 -6.601 213 HA LEU 31 HA LEU 31 -2.751 -5.476 -6.321 214 HB2 LEU 31 HB2 LEU 31 -2.007 -7.420 -8.507 215 HB3 LEU 31 HB3 LEU 31 -1.104 -5.997 -8.039 216 HG LEU 31 HG LEU 31 -1.494 -8.498 -6.406 217 HD11 LEU 31 HD11 LEU 31 0.055 -8.795 -8.223 218 HD12 LEU 31 HD12 LEU 31 0.915 -8.777 -6.682 219 HD13 LEU 31 HD13 LEU 31 0.949 -7.360 -7.730 220 HD21 LEU 31 HD21 LEU 31 0.046 -7.536 -4.778 221 HD22 LEU 31 HD22 LEU 31 -1.407 -6.548 -4.923 222 HD23 LEU 31 HD23 LEU 31 0.095 -6.025 -5.691 223 H ASP 32 H ASP 32 -5.008 -6.846 -8.593 224 HA ASP 32 HA ASP 32 -4.925 -4.466 -10.298 225 HB2 ASP 32 HB2 ASP 32 -6.246 -7.155 -10.668 226 HB3 ASP 32 HB3 ASP 32 -6.530 -5.787 -11.735 227 H LEU 33 H LEU 33 -6.462 -5.417 -7.570 228 HA LEU 33 HA LEU 33 -9.098 -4.573 -8.333 229 HB2 LEU 33 HB2 LEU 33 -7.942 -5.208 -5.617 230 HB3 LEU 33 HB3 LEU 33 -9.619 -4.794 -5.905 231 HG LEU 33 HG LEU 33 -8.184 -7.238 -6.937 232 HD11 LEU 33 HD11 LEU 33 -9.704 -8.449 -5.468 233 HD12 LEU 33 HD12 LEU 33 -10.353 -6.911 -4.888 234 HD13 LEU 33 HD13 LEU 33 -8.670 -7.336 -4.570 235 HD21 LEU 33 HD21 LEU 33 -9.843 -6.458 -8.551 236 HD22 LEU 33 HD22 LEU 33 -11.059 -6.392 -7.275 237 HD23 LEU 33 HD23 LEU 33 -10.383 -7.945 -7.767 238 H ARG 34 H ARG 34 -9.870 -2.649 -8.161 239 HA ARG 34 HA ARG 34 -7.978 -0.510 -7.952 240 HB2 ARG 34 HB2 ARG 34 -10.961 -0.512 -8.353 241 HB3 ARG 34 HB3 ARG 34 -9.888 0.863 -8.600 242 HG2 ARG 34 HG2 ARG 34 -8.858 -0.141 -10.459 243 HG3 ARG 34 HG3 ARG 34 -9.551 -1.721 -10.085 244 HD2 ARG 34 HD2 ARG 34 -11.112 0.724 -10.878 245 HD3 ARG 34 HD3 ARG 34 -10.683 -0.607 -11.957 246 HE ARG 34 HE ARG 34 -11.929 -1.959 -10.098 247 HH11 ARG 34 HH11 ARG 34 -12.871 1.110 -11.589 248 HH12 ARG 34 HH12 ARG 34 -14.518 0.942 -11.227 249 HH21 ARG 34 HH21 ARG 34 -14.248 -2.267 -9.769 250 HH22 ARG 34 HH22 ARG 34 -15.318 -1.019 -10.190 251 H PHE 35 H PHE 35 -7.657 0.792 -6.289 252 HA PHE 35 HA PHE 35 -8.464 0.332 -3.714 253 HB2 PHE 35 HB2 PHE 35 -7.608 2.932 -4.972 254 HB3 PHE 35 HB3 PHE 35 -7.960 2.793 -3.257 255 HD1 PHE 35 HD2 PHE 35 -6.694 0.663 -2.155 256 HD2 PHE 35 HD1 PHE 35 -5.415 2.821 -5.578 257 HE1 PHE 35 HE2 PHE 35 -4.399 -0.131 -1.794 258 HE2 PHE 35 HE1 PHE 35 -3.118 2.022 -5.231 259 HZ PHE 35 HZ PHE 35 -2.581 0.708 -3.189 260 H GLU 36 H GLU 36 -10.017 2.566 -5.979 261 HA GLU 36 HA GLU 36 -11.986 3.426 -4.214 262 HB2 GLU 36 HB2 GLU 36 -13.232 4.222 -6.217 263 HB3 GLU 36 HB3 GLU 36 -11.536 4.663 -6.197 264 HG2 GLU 36 HG2 GLU 36 -11.677 4.070 -8.359 265 HG3 GLU 36 HG3 GLU 36 -11.353 2.474 -7.692 266 H ASP 37 H ASP 37 -11.824 0.540 -5.997 267 HA ASP 37 HA ASP 37 -14.577 -0.209 -5.493 268 HB2 ASP 37 HB2 ASP 37 -13.684 -0.942 -7.584 269 HB3 ASP 37 HB3 ASP 37 -12.287 -1.670 -6.805 270 H ILE 38 H ILE 38 -11.507 -0.708 -3.985 271 HA ILE 38 HA ILE 38 -12.753 -2.650 -2.197 272 HB ILE 38 HB ILE 38 -10.521 -3.018 -1.168 273 HG12 ILE 38 HG12 ILE 38 -9.512 -1.158 -3.344 274 HG13 ILE 38 HG13 ILE 38 -9.544 -0.814 -1.620 275 HG21 ILE 38 HG21 ILE 38 -9.522 -4.224 -3.067 276 HG22 ILE 38 HG22 ILE 38 -10.607 -3.367 -4.163 277 HG23 ILE 38 HG23 ILE 38 -11.265 -4.470 -2.954 278 HD11 ILE 38 HD11 ILE 38 -7.932 -2.604 -1.227 279 HD12 ILE 38 HD12 ILE 38 -7.312 -1.416 -2.373 280 HD13 ILE 38 HD13 ILE 38 -7.915 -2.969 -2.953 281 H GLY 39 H GLY 39 -13.075 0.350 -2.354 282 HA2 GLY 39 HA2 GLY 39 -13.859 1.898 -0.844 283 HA3 GLY 39 HA3 GLY 39 -13.717 0.665 0.396 284 H TYR 40 H TYR 40 -11.022 1.677 -1.543 285 HA TYR 40 HA TYR 40 -9.749 2.723 0.871 286 HB2 TYR 40 HB2 TYR 40 -8.859 1.010 -1.250 287 HB3 TYR 40 HB3 TYR 40 -7.947 2.499 -1.274 288 HD1 TYR 40 HD1 TYR 40 -9.162 -0.010 1.160 289 HD2 TYR 40 HD2 TYR 40 -6.095 2.658 -0.014 290 HE1 TYR 40 HE1 TYR 40 -7.767 -0.839 2.988 291 HE2 TYR 40 HE2 TYR 40 -4.681 1.853 1.820 292 HH TYR 40 HH TYR 40 -5.733 -0.897 3.763 293 H ASP 41 H ASP 41 -9.804 4.829 0.995 294 HA ASP 41 HA ASP 41 -9.576 6.405 -1.489 295 HB2 ASP 41 HB2 ASP 41 -10.175 7.400 1.280 296 HB3 ASP 41 HB3 ASP 41 -10.162 8.355 -0.174 297 H SER 42 H SER 42 -8.361 8.432 -1.064 298 HA SER 42 HA SER 42 -5.696 8.165 -0.914 299 HB2 SER 42 HB2 SER 42 -5.759 10.632 -0.340 300 HB3 SER 42 HB3 SER 42 -6.720 10.134 -1.748 301 H LEU 43 H LEU 43 -7.833 8.831 1.813 302 HA LEU 43 HA LEU 43 -5.821 9.550 3.661 303 HB2 LEU 43 HB2 LEU 43 -8.545 8.402 4.247 304 HB3 LEU 43 HB3 LEU 43 -7.520 9.240 5.390 305 HG LEU 43 HG LEU 43 -8.835 10.452 2.961 306 HD11 LEU 43 HD11 LEU 43 -10.142 11.709 4.601 307 HD12 LEU 43 HD12 LEU 43 -9.361 10.811 5.903 308 HD13 LEU 43 HD13 LEU 43 -10.398 9.971 4.751 309 HD21 LEU 43 HD21 LEU 43 -7.987 12.588 3.812 310 HD22 LEU 43 HD22 LEU 43 -6.671 11.490 3.397 311 HD23 LEU 43 HD23 LEU 43 -7.118 11.732 5.087 312 H ALA 44 H ALA 44 -7.715 6.492 3.612 313 HA ALA 44 HA ALA 44 -5.956 5.136 5.339 314 HB1 ALA 44 HB1 ALA 44 -7.835 3.942 3.302 315 HB2 ALA 44 HB2 ALA 44 -8.268 4.406 4.946 316 HB3 ALA 44 HB3 ALA 44 -7.114 3.100 4.672 317 H LEU 45 H LEU 45 -5.959 5.607 1.915 318 HA LEU 45 HA LEU 45 -4.154 3.577 1.170 319 HB2 LEU 45 HB2 LEU 45 -5.773 5.131 -0.144 320 HB3 LEU 45 HB3 LEU 45 -4.435 6.222 -0.266 321 HG LEU 45 HG LEU 45 -4.651 3.424 -1.382 322 HD11 LEU 45 HD11 LEU 45 -4.574 6.101 -2.736 323 HD12 LEU 45 HD12 LEU 45 -5.974 5.041 -2.564 324 HD13 LEU 45 HD13 LEU 45 -4.600 4.536 -3.547 325 HD21 LEU 45 HD21 LEU 45 -2.341 3.866 -0.741 326 HD22 LEU 45 HD22 LEU 45 -2.360 5.369 -1.673 327 HD23 LEU 45 HD23 LEU 45 -2.530 3.808 -2.493 328 H MET 46 H MET 46 -3.664 7.034 1.942 329 HA MET 46 HA MET 46 -0.834 7.011 1.718 330 HB2 MET 46 HB2 MET 46 -2.653 8.856 3.270 331 HB3 MET 46 HB3 MET 46 -0.926 9.113 3.074 332 HG2 MET 46 HG2 MET 46 -1.193 9.316 0.701 333 HG3 MET 46 HG3 MET 46 -2.905 8.925 0.852 334 HE1 MET 46 HE1 MET 46 -3.583 11.075 -0.532 335 HE2 MET 46 HE2 MET 46 -1.877 11.483 -0.718 336 HE3 MET 46 HE3 MET 46 -3.019 12.702 -0.155 337 H GLU 47 H GLU 47 -3.052 6.364 4.285 338 HA GLU 47 HA GLU 47 -1.363 6.290 6.505 339 HB2 GLU 47 HB2 GLU 47 -3.824 6.227 6.422 340 HB3 GLU 47 HB3 GLU 47 -3.757 4.579 5.856 341 HG2 GLU 47 HG2 GLU 47 -4.269 4.653 8.245 342 HG3 GLU 47 HG3 GLU 47 -2.742 3.834 7.926 343 H THR 48 H THR 48 -2.301 3.765 4.232 344 HA THR 48 HA THR 48 -0.793 1.635 5.178 345 HB THR 48 HB THR 48 -1.737 2.442 2.439 346 HG1 THR 48 HG1 THR 48 -2.844 1.394 4.635 347 HG21 THR 48 HG21 THR 48 0.121 0.873 2.191 348 HG22 THR 48 HG22 THR 48 -1.402 0.089 1.771 349 HG23 THR 48 HG23 THR 48 -0.637 -0.239 3.331 350 H ALA 49 H ALA 49 -0.049 3.938 2.550 351 HA ALA 49 HA ALA 49 2.524 3.053 1.986 352 HB1 ALA 49 HB1 ALA 49 1.227 4.555 0.540 353 HB2 ALA 49 HB2 ALA 49 2.841 5.186 0.864 354 HB3 ALA 49 HB3 ALA 49 1.445 5.853 1.711 355 H ALA 50 H ALA 50 1.423 5.515 4.268 356 HA ALA 50 HA ALA 50 3.880 6.574 5.039 357 HB1 ALA 50 HB1 ALA 50 1.397 6.331 6.730 358 HB2 ALA 50 HB2 ALA 50 1.721 7.612 5.563 359 HB3 ALA 50 HB3 ALA 50 2.739 7.443 6.995 360 H ARG 51 H ARG 51 2.178 3.776 6.171 361 HA ARG 51 HA ARG 51 3.710 3.236 8.478 362 HB2 ARG 51 HB2 ARG 51 1.557 2.129 7.929 363 HB3 ARG 51 HB3 ARG 51 2.369 1.263 6.629 364 HG2 ARG 51 HG2 ARG 51 3.907 0.314 8.354 365 HG3 ARG 51 HG3 ARG 51 2.849 1.023 9.577 366 HD2 ARG 51 HD2 ARG 51 0.963 -0.219 8.444 367 HD3 ARG 51 HD3 ARG 51 2.210 -1.101 7.559 368 HE ARG 51 HE ARG 51 2.719 -1.089 10.325 369 HH11 ARG 51 HH11 ARG 51 1.126 -2.940 7.773 370 HH12 ARG 51 HH12 ARG 51 0.509 -4.121 8.860 371 HH21 ARG 51 HH21 ARG 51 1.876 -2.702 11.762 372 HH22 ARG 51 HH22 ARG 51 0.920 -3.987 11.134 373 H LEU 52 H LEU 52 3.861 2.056 5.179 374 HA LEU 52 HA LEU 52 6.117 0.418 5.596 375 HB2 LEU 52 HB2 LEU 52 5.152 1.443 2.911 376 HB3 LEU 52 HB3 LEU 52 6.083 -0.011 3.237 377 HG LEU 52 HG LEU 52 3.191 0.436 3.928 378 HD11 LEU 52 HD11 LEU 52 2.802 -1.378 2.366 379 HD12 LEU 52 HD12 LEU 52 4.532 -1.473 2.050 380 HD13 LEU 52 HD13 LEU 52 3.630 -0.026 1.577 381 HD21 LEU 52 HD21 LEU 52 4.280 -0.856 5.691 382 HD22 LEU 52 HD22 LEU 52 4.947 -1.958 4.487 383 HD23 LEU 52 HD23 LEU 52 3.202 -1.877 4.737 384 H GLU 53 H GLU 53 5.693 3.744 4.589 385 HA GLU 53 HA GLU 53 8.256 4.357 3.687 386 HB2 GLU 53 HB2 GLU 53 6.416 6.059 5.327 387 HB3 GLU 53 HB3 GLU 53 7.865 6.648 4.542 388 HG2 GLU 53 HG2 GLU 53 6.860 6.049 2.374 389 HG3 GLU 53 HG3 GLU 53 5.385 5.591 3.236 390 H SER 54 H SER 54 6.982 4.877 6.961 391 HA SER 54 HA SER 54 9.412 5.607 8.097 392 HB2 SER 54 HB2 SER 54 7.036 4.364 9.476 393 HB3 SER 54 HB3 SER 54 8.244 5.433 10.184 394 HG SER 54 HG SER 54 7.407 7.129 9.150 395 H ARG 55 H ARG 55 7.675 2.505 8.090 396 HA ARG 55 HA ARG 55 9.534 1.241 9.778 397 HB2 ARG 55 HB2 ARG 55 7.211 0.503 9.625 398 HB3 ARG 55 HB3 ARG 55 7.489 -0.043 7.975 399 HG2 ARG 55 HG2 ARG 55 9.075 -1.688 8.745 400 HG3 ARG 55 HG3 ARG 55 8.928 -1.092 10.398 401 HD2 ARG 55 HD2 ARG 55 6.555 -1.728 10.388 402 HD3 ARG 55 HD3 ARG 55 6.752 -2.366 8.752 403 HE ARG 55 HE ARG 55 8.644 -3.667 10.031 404 HH11 ARG 55 HH11 ARG 55 5.288 -3.102 11.074 405 HH12 ARG 55 HH12 ARG 55 5.097 -4.600 11.851 406 HH21 ARG 55 HH21 ARG 55 8.426 -5.725 11.145 407 HH22 ARG 55 HH22 ARG 55 6.934 -6.155 11.861 408 H TYR 56 H TYR 56 9.262 1.204 6.216 409 HA TYR 56 HA TYR 56 11.506 -0.641 6.270 410 HB2 TYR 56 HB2 TYR 56 9.604 -0.022 4.013 411 HB3 TYR 56 HB3 TYR 56 10.963 -1.140 3.902 412 HD1 TYR 56 HD2 TYR 56 10.990 -3.111 5.560 413 HD2 TYR 56 HD1 TYR 56 7.520 -0.785 4.793 414 HE1 TYR 56 HE2 TYR 56 9.590 -4.915 6.466 415 HE2 TYR 56 HE1 TYR 56 6.105 -2.570 5.690 416 HH TYR 56 HH TYR 56 6.270 -5.100 6.036 417 H GLY 57 H GLY 57 10.855 2.644 5.511 418 HA2 GLY 57 HA2 GLY 57 12.660 4.153 5.344 419 HA3 GLY 57 HA3 GLY 57 13.664 2.857 4.718 420 H VAL 58 H VAL 58 10.603 4.423 3.818 421 HA VAL 58 HA VAL 58 11.769 5.074 1.231 422 HB VAL 58 HB VAL 58 9.854 4.401 -0.086 423 HG11 VAL 58 HG11 VAL 58 11.449 2.645 0.255 424 HG12 VAL 58 HG12 VAL 58 9.811 1.981 0.147 425 HG13 VAL 58 HG13 VAL 58 10.599 2.140 1.719 426 HG21 VAL 58 HG21 VAL 58 8.057 4.856 1.481 427 HG22 VAL 58 HG22 VAL 58 8.534 3.469 2.458 428 HG23 VAL 58 HG23 VAL 58 7.903 3.226 0.827 429 H SER 59 H SER 59 10.032 6.587 0.009 430 HA SER 59 HA SER 59 8.603 8.240 1.919 431 HB2 SER 59 HB2 SER 59 10.968 9.158 1.763 432 HB3 SER 59 HB3 SER 59 10.709 9.403 0.043 433 HG SER 59 HG SER 59 8.727 10.582 1.543 434 H ILE 60 H ILE 60 6.661 8.176 1.059 435 HA ILE 60 HA ILE 60 6.295 7.979 -1.856 436 HB ILE 60 HB ILE 60 4.282 7.454 0.359 437 HG12 ILE 60 HG12 ILE 60 6.042 5.763 0.449 438 HG13 ILE 60 HG13 ILE 60 4.559 5.041 -0.159 439 HG21 ILE 60 HG21 ILE 60 2.910 6.398 -1.382 440 HG22 ILE 60 HG22 ILE 60 4.092 6.880 -2.597 441 HG23 ILE 60 HG23 ILE 60 3.195 8.109 -1.705 442 HD11 ILE 60 HD11 ILE 60 6.516 4.240 -1.367 443 HD12 ILE 60 HD12 ILE 60 6.928 5.895 -1.821 444 HD13 ILE 60 HD13 ILE 60 5.451 5.153 -2.436 445 HA PRO 61 HA PRO 61 5.134 12.343 -1.513 446 HB2 PRO 61 HB2 PRO 61 4.517 11.921 -4.383 447 HB3 PRO 61 HB3 PRO 61 5.557 13.134 -3.625 448 HG2 PRO 61 HG2 PRO 61 6.622 11.095 -4.959 449 HG3 PRO 61 HG3 PRO 61 7.357 11.675 -3.450 450 HD2 PRO 61 HD2 PRO 61 5.607 9.287 -3.909 451 HD3 PRO 61 HD3 PRO 61 7.087 9.429 -2.932 452 H ASP 62 H ASP 62 3.267 13.333 -1.267 453 HA ASP 62 HA ASP 62 0.964 11.854 -0.742 454 HB2 ASP 62 HB2 ASP 62 1.382 14.826 -0.951 455 HB3 ASP 62 HB3 ASP 62 -0.177 14.133 -0.533 456 H ASP 63 H ASP 63 1.727 13.713 -3.636 457 HA ASP 63 HA ASP 63 -0.950 13.516 -4.659 458 HB2 ASP 63 HB2 ASP 63 -0.194 14.496 -6.697 459 HB3 ASP 63 HB3 ASP 63 0.722 15.269 -5.417 460 H VAL 64 H VAL 64 1.804 11.506 -4.766 461 HA VAL 64 HA VAL 64 1.016 9.867 -7.005 462 HB VAL 64 HB VAL 64 2.874 9.213 -4.728 463 HG11 VAL 64 HG11 VAL 64 3.926 7.681 -6.367 464 HG12 VAL 64 HG12 VAL 64 2.699 8.130 -7.551 465 HG13 VAL 64 HG13 VAL 64 2.234 7.281 -6.077 466 HG21 VAL 64 HG21 VAL 64 3.518 10.539 -7.361 467 HG22 VAL 64 HG22 VAL 64 4.709 9.989 -6.179 468 HG23 VAL 64 HG23 VAL 64 3.586 11.286 -5.766 469 H ALA 65 H ALA 65 0.839 9.673 -3.517 470 HA ALA 65 HA ALA 65 -0.236 7.132 -3.256 471 HB1 ALA 65 HB1 ALA 65 0.676 8.437 -1.402 472 HB2 ALA 65 HB2 ALA 65 -0.939 7.826 -1.040 473 HB3 ALA 65 HB3 ALA 65 -0.713 9.518 -1.485 474 H GLY 66 H GLY 66 -1.837 10.134 -4.107 475 HA2 GLY 66 HA2 GLY 66 -4.452 8.828 -3.929 476 HA3 GLY 66 HA3 GLY 66 -4.165 10.529 -4.271 477 H ARG 67 H ARG 67 -2.037 8.954 -6.158 478 HA ARG 67 HA ARG 67 -3.784 9.214 -8.496 479 HB2 ARG 67 HB2 ARG 67 -1.728 10.524 -8.550 480 HB3 ARG 67 HB3 ARG 67 -0.769 9.075 -8.271 481 HG2 ARG 67 HG2 ARG 67 -1.585 8.178 -10.427 482 HG3 ARG 67 HG3 ARG 67 -2.417 9.706 -10.705 483 HD2 ARG 67 HD2 ARG 67 -0.307 10.882 -10.679 484 HD3 ARG 67 HD3 ARG 67 0.545 9.389 -10.279 485 HE ARG 67 HE ARG 67 -0.858 8.885 -12.590 486 HH11 ARG 67 HH11 ARG 67 1.670 11.160 -11.601 487 HH12 ARG 67 HH12 ARG 67 2.442 11.241 -13.103 488 HH21 ARG 67 HH21 ARG 67 0.178 8.952 -14.713 489 HH22 ARG 67 HH22 ARG 67 1.514 9.971 -14.960 490 H VAL 68 H VAL 68 -2.045 6.896 -6.647 491 HA VAL 68 HA VAL 68 -1.941 4.925 -8.706 492 HB VAL 68 HB VAL 68 -1.303 3.350 -6.791 493 HG11 VAL 68 HG11 VAL 68 0.366 4.508 -8.153 494 HG12 VAL 68 HG12 VAL 68 0.902 4.389 -6.478 495 HG13 VAL 68 HG13 VAL 68 0.270 5.916 -7.094 496 HG21 VAL 68 HG21 VAL 68 -0.721 4.370 -4.645 497 HG22 VAL 68 HG22 VAL 68 -2.448 4.582 -4.968 498 HG23 VAL 68 HG23 VAL 68 -1.321 5.924 -5.215 499 H ASP 69 H ASP 69 -3.415 3.558 -9.326 500 HA ASP 69 HA ASP 69 -6.065 3.795 -8.128 501 HB2 ASP 69 HB2 ASP 69 -5.881 4.192 -10.533 502 HB3 ASP 69 HB3 ASP 69 -5.156 2.608 -10.759 503 H THR 70 H THR 70 -3.611 1.465 -8.867 504 HA THR 70 HA THR 70 -5.177 -0.589 -7.481 505 HB THR 70 HB THR 70 -3.734 -2.217 -8.786 506 HG1 THR 70 HG1 THR 70 -2.980 0.223 -10.022 507 HG21 THR 70 HG21 THR 70 -5.616 -0.429 -10.324 508 HG22 THR 70 HG22 THR 70 -6.077 -1.818 -9.339 509 HG23 THR 70 HG23 THR 70 -5.127 -2.052 -10.808 510 HA PRO 71 HA PRO 71 -2.127 -0.907 -4.294 511 HB2 PRO 71 HB2 PRO 71 -2.413 -3.858 -4.615 512 HB3 PRO 71 HB3 PRO 71 -2.595 -2.861 -3.165 513 HG2 PRO 71 HG2 PRO 71 -4.726 -3.832 -4.369 514 HG3 PRO 71 HG3 PRO 71 -4.730 -2.162 -3.759 515 HD2 PRO 71 HD2 PRO 71 -4.368 -3.156 -6.561 516 HD3 PRO 71 HD3 PRO 71 -5.331 -1.787 -5.970 517 H ARG 72 H ARG 72 -1.798 -2.885 -7.169 518 HA ARG 72 HA ARG 72 0.780 -3.805 -7.027 519 HB2 ARG 72 HB2 ARG 72 -0.568 -4.404 -8.890 520 HB3 ARG 72 HB3 ARG 72 -0.768 -2.727 -9.379 521 HG2 ARG 72 HG2 ARG 72 1.596 -2.613 -9.984 522 HG3 ARG 72 HG3 ARG 72 1.816 -4.285 -9.468 523 HD2 ARG 72 HD2 ARG 72 -0.091 -3.399 -11.614 524 HD3 ARG 72 HD3 ARG 72 1.540 -4.000 -11.916 525 HE ARG 72 HE ARG 72 0.857 -6.078 -10.894 526 HH11 ARG 72 HH11 ARG 72 -1.737 -3.945 -12.105 527 HH12 ARG 72 HH12 ARG 72 -2.809 -5.254 -12.345 528 HH21 ARG 72 HH21 ARG 72 -0.683 -7.788 -11.237 529 HH22 ARG 72 HH22 ARG 72 -2.266 -7.402 -11.782 530 H GLU 73 H GLU 73 -0.355 -0.648 -8.173 531 HA GLU 73 HA GLU 73 2.119 0.453 -8.921 532 HB2 GLU 73 HB2 GLU 73 -0.426 1.808 -8.040 533 HB3 GLU 73 HB3 GLU 73 0.911 2.590 -8.869 534 HG2 GLU 73 HG2 GLU 73 0.518 1.335 -10.846 535 HG3 GLU 73 HG3 GLU 73 -0.648 0.299 -10.021 536 H LEU 74 H LEU 74 0.286 0.510 -5.931 537 HA LEU 74 HA LEU 74 1.962 2.385 -4.601 538 HB2 LEU 74 HB2 LEU 74 -0.455 1.815 -4.026 539 HB3 LEU 74 HB3 LEU 74 0.127 0.321 -3.337 540 HG LEU 74 HG LEU 74 -0.453 2.092 -1.668 541 HD11 LEU 74 HD11 LEU 74 1.507 1.867 -0.242 542 HD12 LEU 74 HD12 LEU 74 2.440 1.265 -1.612 543 HD13 LEU 74 HD13 LEU 74 1.070 0.335 -0.998 544 HD21 LEU 74 HD21 LEU 74 1.069 3.984 -1.358 545 HD22 LEU 74 HD22 LEU 74 0.253 4.040 -2.918 546 HD23 LEU 74 HD23 LEU 74 1.935 3.517 -2.821 547 H LEU 75 H LEU 75 1.741 -1.158 -4.567 548 HA LEU 75 HA LEU 75 3.856 -1.680 -2.807 549 HB2 LEU 75 HB2 LEU 75 2.192 -3.347 -3.611 550 HB3 LEU 75 HB3 LEU 75 2.986 -3.345 -5.171 551 HG LEU 75 HG LEU 75 5.035 -4.219 -4.119 552 HD11 LEU 75 HD11 LEU 75 4.945 -5.042 -1.810 553 HD12 LEU 75 HD12 LEU 75 3.349 -4.314 -1.623 554 HD13 LEU 75 HD13 LEU 75 4.756 -3.291 -1.903 555 HD21 LEU 75 HD21 LEU 75 3.407 -5.771 -5.080 556 HD22 LEU 75 HD22 LEU 75 2.548 -5.828 -3.542 557 HD23 LEU 75 HD23 LEU 75 4.182 -6.477 -3.660 558 H ASP 76 H ASP 76 3.803 -1.139 -6.274 559 HA ASP 76 HA ASP 76 6.478 -1.665 -6.904 560 HB2 ASP 76 HB2 ASP 76 4.797 -1.343 -8.633 561 HB3 ASP 76 HB3 ASP 76 4.583 0.335 -8.147 562 H LEU 77 H LEU 77 4.917 1.276 -5.796 563 HA LEU 77 HA LEU 77 7.089 3.054 -5.926 564 HB2 LEU 77 HB2 LEU 77 4.819 2.983 -3.942 565 HB3 LEU 77 HB3 LEU 77 5.869 4.351 -4.216 566 HG LEU 77 HG LEU 77 3.961 3.196 -6.232 567 HD11 LEU 77 HD11 LEU 77 3.789 5.674 -4.528 568 HD12 LEU 77 HD12 LEU 77 2.811 4.219 -4.358 569 HD13 LEU 77 HD13 LEU 77 2.659 5.220 -5.803 570 HD21 LEU 77 HD21 LEU 77 5.904 4.261 -7.269 571 HD22 LEU 77 HD22 LEU 77 5.640 5.707 -6.293 572 HD23 LEU 77 HD23 LEU 77 4.451 5.234 -7.504 573 H ILE 78 H ILE 78 6.169 0.665 -3.615 574 HA ILE 78 HA ILE 78 8.076 1.463 -1.615 575 HB ILE 78 HB ILE 78 6.582 -1.168 -1.884 576 HG12 ILE 78 HG12 ILE 78 4.988 0.697 -1.771 577 HG13 ILE 78 HG13 ILE 78 4.949 -0.244 -0.290 578 HG21 ILE 78 HG21 ILE 78 8.482 -1.314 -0.387 579 HG22 ILE 78 HG22 ILE 78 6.976 -1.367 0.535 580 HG23 ILE 78 HG23 ILE 78 7.931 0.114 0.488 581 HD11 ILE 78 HD11 ILE 78 6.334 2.406 -0.667 582 HD12 ILE 78 HD12 ILE 78 6.284 1.475 0.830 583 HD13 ILE 78 HD13 ILE 78 4.797 2.141 0.158 584 H ASN 79 H ASN 79 7.733 -1.251 -3.881 585 HA ASN 79 HA ASN 79 10.144 -2.587 -3.356 586 HB2 ASN 79 HB2 ASN 79 8.412 -2.508 -5.811 587 HB3 ASN 79 HB3 ASN 79 9.928 -3.390 -5.816 588 HD21 ASN 79 HD21 ASN 79 7.846 -3.215 -2.976 589 HD22 ASN 79 HD22 ASN 79 7.364 -4.879 -3.065 590 H GLY 80 H GLY 80 9.492 -0.138 -5.851 591 HA2 GLY 80 HA2 GLY 80 12.072 -0.153 -6.977 592 HA3 GLY 80 HA3 GLY 80 10.895 1.145 -7.108 593 H ALA 81 H ALA 81 10.670 1.667 -4.336 594 HA ALA 81 HA ALA 81 12.895 3.395 -4.006 595 HB1 ALA 81 HB1 ALA 81 10.728 2.678 -2.049 596 HB2 ALA 81 HB2 ALA 81 10.662 3.990 -3.228 597 HB3 ALA 81 HB3 ALA 81 11.842 4.037 -1.916 598 H LEU 82 H LEU 82 11.865 0.367 -2.513 599 HA LEU 82 HA LEU 82 13.960 0.301 -0.610 600 HB2 LEU 82 HB2 LEU 82 12.131 -1.851 -1.618 601 HB3 LEU 82 HB3 LEU 82 13.364 -2.156 -0.412 602 HG LEU 82 HG LEU 82 11.056 -0.231 -0.110 603 HD11 LEU 82 HD11 LEU 82 11.577 -2.919 1.150 604 HD12 LEU 82 HD12 LEU 82 10.351 -2.566 -0.067 605 HD13 LEU 82 HD13 LEU 82 10.237 -1.838 1.536 606 HD21 LEU 82 HD21 LEU 82 11.804 -0.057 2.211 607 HD22 LEU 82 HD22 LEU 82 13.048 0.501 1.092 608 HD23 LEU 82 HD23 LEU 82 13.188 -1.086 1.844 609 H ALA 83 H ALA 83 13.913 -0.456 -3.917 610 HA ALA 83 HA ALA 83 16.154 -2.177 -4.052 611 HB1 ALA 83 HB1 ALA 83 15.249 -0.079 -6.036 612 HB2 ALA 83 HB2 ALA 83 14.690 -1.753 -5.989 613 HB3 ALA 83 HB3 ALA 83 16.373 -1.394 -6.378 614 H GLU 84 H GLU 84 15.775 1.139 -3.416 615 HA GLU 84 HA GLU 84 18.646 1.671 -3.543 616 HB2 GLU 84 HB2 GLU 84 17.051 3.198 -4.680 617 HB3 GLU 84 HB3 GLU 84 16.253 3.477 -3.145 618 HG2 GLU 84 HG2 GLU 84 18.286 4.500 -2.294 619 HG3 GLU 84 HG3 GLU 84 19.063 4.236 -3.859 620 H ALA 85 H ALA 85 15.823 2.309 -1.496 621 HA ALA 85 HA ALA 85 15.323 2.244 0.644 622 HB1 ALA 85 HB1 ALA 85 16.365 0.671 2.148 623 HB2 ALA 85 HB2 ALA 85 17.743 0.498 1.061 624 HB3 ALA 85 HB3 ALA 85 16.150 -0.074 0.564 625 H ALA 86 H ALA 86 15.444 3.601 2.253 626 HA ALA 86 HA ALA 86 17.758 5.313 2.322 627 HB1 ALA 86 HB1 ALA 86 15.105 5.510 3.757 628 HB2 ALA 86 HB2 ALA 86 15.524 6.318 2.245 629 HB3 ALA 86 HB3 ALA 86 16.365 6.747 3.738 630 H28 SXA 87 H28A SXA 87 -10.846 11.751 -1.253 631 H28A SXA 87 H28B SXA 87 -10.281 10.256 -0.509 632 H30 SXA 87 H30A SXA 87 -12.584 10.336 2.352 633 H30A SXA 87 H30B SXA 87 -10.962 11.031 2.322 634 H30B SXA 87 H30C SXA 87 -11.262 9.465 1.574 635 H31 SXA 87 H31A SXA 87 -13.505 12.427 1.255 636 H31A SXA 87 H31B SXA 87 -12.749 13.023 -0.222 637 H31B SXA 87 H31C SXA 87 -11.872 13.096 1.307 638 H32 SXA 87 H32A SXA 87 -12.607 9.326 -0.689 639 HO33 SXA 87 H33A SXA 87 -14.294 11.155 -1.508 640 HN36 SXA 87 H36A SXA 87 -13.602 8.756 1.522 641 H37 SXA 87 H37A SXA 87 -16.418 9.626 1.839 642 H37A SXA 87 H37B SXA 87 -15.963 7.933 1.774 643 H38 SXA 87 H38A SXA 87 -16.229 8.476 4.045 644 H38A SXA 87 H38B SXA 87 -14.484 8.282 3.767 645 HN41 SXA 87 H41A SXA 87 -14.330 9.413 5.783 646 H42 SXA 87 H42A SXA 87 -13.817 12.213 5.519 647 H42A SXA 87 H42B SXA 87 -15.265 11.905 6.456 648 H43 SXA 87 H43A SXA 87 -12.494 10.918 7.117 649 H43A SXA 87 H43B SXA 87 -13.975 10.487 7.990 650 H2 SXA 87 H2C SXA 87 -11.677 14.078 10.237 651 H2A SXA 87 H2A SXA 87 -11.502 12.785 11.431 652 H2B SXA 87 H2B SXA 87 -13.099 13.473 11.099 Start of MODEL 5 1 H1 MET 1 H1 MET 1 22.088 -6.484 -2.053 2 H2 MET 1 H2 MET 1 21.438 -4.926 -2.035 3 H3 MET 1 H3 MET 1 21.021 -5.969 -3.278 4 HA MET 1 HA MET 1 19.914 -7.399 -1.650 5 HB2 MET 1 HB2 MET 1 20.417 -5.021 0.163 6 HB3 MET 1 HB3 MET 1 19.314 -6.335 0.516 7 HG2 MET 1 HG2 MET 1 21.217 -7.888 0.530 8 HG3 MET 1 HG3 MET 1 22.301 -6.528 0.246 9 HE1 MET 1 HE1 MET 1 19.744 -7.038 4.073 10 HE2 MET 1 HE2 MET 1 19.768 -8.200 2.745 11 HE3 MET 1 HE3 MET 1 19.056 -6.605 2.505 12 H ALA 2 H ALA 2 18.334 -7.135 -3.098 13 HA ALA 2 HA ALA 2 16.925 -4.597 -3.148 14 HB1 ALA 2 HB1 ALA 2 15.639 -5.566 -5.003 15 HB2 ALA 2 HB2 ALA 2 16.491 -7.098 -4.795 16 HB3 ALA 2 HB3 ALA 2 17.374 -5.659 -5.316 17 H THR 3 H THR 3 16.146 -4.703 -1.032 18 HA THR 3 HA THR 3 14.572 -6.833 -0.068 19 HB THR 3 HB THR 3 14.522 -3.919 0.743 20 HG1 THR 3 HG1 THR 3 16.465 -4.162 1.523 21 HG21 THR 3 HG21 THR 3 14.144 -6.484 2.312 22 HG22 THR 3 HG22 THR 3 12.856 -5.385 1.822 23 HG23 THR 3 HG23 THR 3 14.078 -4.853 2.980 24 H LEU 4 H LEU 4 12.787 -7.313 -1.259 25 HA LEU 4 HA LEU 4 11.063 -5.086 -2.044 26 HB2 LEU 4 HB2 LEU 4 11.214 -7.836 -3.288 27 HB3 LEU 4 HB3 LEU 4 10.222 -6.503 -3.832 28 HG LEU 4 HG LEU 4 13.240 -6.621 -3.933 29 HD11 LEU 4 HD11 LEU 4 12.198 -8.055 -5.570 30 HD12 LEU 4 HD12 LEU 4 12.936 -6.652 -6.348 31 HD13 LEU 4 HD13 LEU 4 11.189 -6.721 -6.127 32 HD21 LEU 4 HD21 LEU 4 12.481 -4.335 -3.547 33 HD22 LEU 4 HD22 LEU 4 11.360 -4.465 -4.904 34 HD23 LEU 4 HD23 LEU 4 13.101 -4.517 -5.190 35 H LEU 5 H LEU 5 8.840 -5.425 -1.797 36 HA LEU 5 HA LEU 5 8.216 -7.227 0.420 37 HB2 LEU 5 HB2 LEU 5 6.621 -4.928 -0.694 38 HB3 LEU 5 HB3 LEU 5 6.195 -5.894 0.705 39 HG LEU 5 HG LEU 5 8.499 -3.982 0.453 40 HD11 LEU 5 HD11 LEU 5 6.350 -2.930 0.769 41 HD12 LEU 5 HD12 LEU 5 7.327 -2.787 2.230 42 HD13 LEU 5 HD13 LEU 5 6.018 -3.968 2.154 43 HD21 LEU 5 HD21 LEU 5 8.977 -4.525 2.799 44 HD22 LEU 5 HD22 LEU 5 9.192 -5.921 1.748 45 HD23 LEU 5 HD23 LEU 5 7.747 -5.790 2.752 46 H THR 6 H THR 6 6.229 -8.411 0.322 47 HA THR 6 HA THR 6 5.703 -9.280 -2.413 48 HB THR 6 HB THR 6 4.719 -11.275 -1.333 49 HG1 THR 6 HG1 THR 6 5.756 -10.254 1.125 50 HG21 THR 6 HG21 THR 6 7.504 -10.600 -0.340 51 HG22 THR 6 HG22 THR 6 7.119 -11.287 -1.919 52 HG23 THR 6 HG23 THR 6 6.820 -12.221 -0.453 53 H THR 7 H THR 7 3.377 -10.200 -2.580 54 HA THR 7 HA THR 7 1.367 -8.305 -2.391 55 HB THR 7 HB THR 7 1.215 -11.336 -2.395 56 HG1 THR 7 HG1 THR 7 2.220 -10.726 -4.220 57 HG21 THR 7 HG21 THR 7 -1.039 -11.050 -3.346 58 HG22 THR 7 HG22 THR 7 -0.902 -9.304 -3.132 59 HG23 THR 7 HG23 THR 7 -0.935 -10.366 -1.725 60 H ASP 8 H ASP 8 2.539 -10.639 -0.028 61 HA ASP 8 HA ASP 8 0.344 -10.532 1.731 62 HB2 ASP 8 HB2 ASP 8 3.207 -11.329 2.222 63 HB3 ASP 8 HB3 ASP 8 1.961 -11.414 3.460 64 H ASP 9 H ASP 9 3.436 -8.771 1.754 65 HA ASP 9 HA ASP 9 2.842 -7.439 4.215 66 HB2 ASP 9 HB2 ASP 9 5.167 -7.587 2.884 67 HB3 ASP 9 HB3 ASP 9 4.606 -6.020 2.283 68 H LEU 10 H LEU 10 2.433 -6.661 0.890 69 HA LEU 10 HA LEU 10 1.399 -4.072 1.071 70 HB2 LEU 10 HB2 LEU 10 1.946 -5.239 -1.045 71 HB3 LEU 10 HB3 LEU 10 0.572 -6.293 -0.803 72 HG LEU 10 HG LEU 10 -0.927 -4.331 -0.986 73 HD11 LEU 10 HD11 LEU 10 -0.045 -2.232 -1.886 74 HD12 LEU 10 HD12 LEU 10 1.594 -2.865 -1.736 75 HD13 LEU 10 HD13 LEU 10 0.618 -2.594 -0.291 76 HD21 LEU 10 HD21 LEU 10 0.933 -4.793 -3.312 77 HD22 LEU 10 HD22 LEU 10 -0.673 -4.075 -3.409 78 HD23 LEU 10 HD23 LEU 10 -0.489 -5.756 -2.907 79 H ARG 11 H ARG 11 -0.311 -7.186 1.008 80 HA ARG 11 HA ARG 11 -2.862 -6.342 1.598 81 HB2 ARG 11 HB2 ARG 11 -2.496 -8.614 0.941 82 HB3 ARG 11 HB3 ARG 11 -1.453 -8.912 2.320 83 HG2 ARG 11 HG2 ARG 11 -3.291 -8.846 3.829 84 HG3 ARG 11 HG3 ARG 11 -4.372 -8.249 2.572 85 HD2 ARG 11 HD2 ARG 11 -4.696 -10.635 3.056 86 HD3 ARG 11 HD3 ARG 11 -4.230 -10.333 1.391 87 HE ARG 11 HE ARG 11 -1.883 -10.924 2.413 88 HH11 ARG 11 HH11 ARG 11 -4.946 -12.423 3.336 89 HH12 ARG 11 HH12 ARG 11 -4.364 -14.023 3.313 90 HH21 ARG 11 HH21 ARG 11 -1.015 -13.200 2.412 91 HH22 ARG 11 HH22 ARG 11 -2.112 -14.448 2.736 92 H ARG 12 H ARG 12 -0.345 -7.277 3.894 93 HA ARG 12 HA ARG 12 -1.686 -6.912 6.308 94 HB2 ARG 12 HB2 ARG 12 1.197 -6.255 5.692 95 HB3 ARG 12 HB3 ARG 12 0.529 -6.477 7.303 96 HG2 ARG 12 HG2 ARG 12 0.125 -8.789 6.875 97 HG3 ARG 12 HG3 ARG 12 0.555 -8.594 5.175 98 HD2 ARG 12 HD2 ARG 12 2.828 -7.892 5.911 99 HD3 ARG 12 HD3 ARG 12 2.367 -8.320 7.559 100 HE ARG 12 HE ARG 12 1.812 -10.572 6.387 101 HH11 ARG 12 HH11 ARG 12 4.636 -8.477 5.735 102 HH12 ARG 12 HH12 ARG 12 5.666 -9.785 5.393 103 HH21 ARG 12 HH21 ARG 12 3.286 -12.339 5.828 104 HH22 ARG 12 HH22 ARG 12 4.913 -11.959 5.430 105 H ALA 13 H ALA 13 0.152 -4.553 4.419 106 HA ALA 13 HA ALA 13 -0.211 -2.365 6.146 107 HB1 ALA 13 HB1 ALA 13 0.325 -2.353 3.185 108 HB2 ALA 13 HB2 ALA 13 1.544 -2.472 4.453 109 HB3 ALA 13 HB3 ALA 13 0.575 -1.007 4.294 110 H LEU 14 H LEU 14 -2.059 -3.443 3.322 111 HA LEU 14 HA LEU 14 -3.892 -1.310 3.443 112 HB2 LEU 14 HB2 LEU 14 -3.893 -3.953 2.053 113 HB3 LEU 14 HB3 LEU 14 -5.412 -3.100 2.205 114 HG LEU 14 HG LEU 14 -4.344 -1.148 1.045 115 HD11 LEU 14 HD11 LEU 14 -2.025 -1.612 1.438 116 HD12 LEU 14 HD12 LEU 14 -2.354 -1.514 -0.294 117 HD13 LEU 14 HD13 LEU 14 -2.132 -3.085 0.477 118 HD21 LEU 14 HD21 LEU 14 -5.818 -2.652 -0.133 119 HD22 LEU 14 HD22 LEU 14 -4.470 -3.736 -0.479 120 HD23 LEU 14 HD23 LEU 14 -4.507 -2.125 -1.189 121 H VAL 15 H VAL 15 -4.042 -4.586 4.772 122 HA VAL 15 HA VAL 15 -6.607 -4.492 5.887 123 HB VAL 15 HB VAL 15 -4.156 -5.999 6.900 124 HG11 VAL 15 HG11 VAL 15 -5.804 -5.768 8.699 125 HG12 VAL 15 HG12 VAL 15 -5.731 -7.436 8.129 126 HG13 VAL 15 HG13 VAL 15 -7.065 -6.393 7.638 127 HG21 VAL 15 HG21 VAL 15 -6.513 -6.924 5.265 128 HG22 VAL 15 HG22 VAL 15 -5.178 -7.935 5.820 129 HG23 VAL 15 HG23 VAL 15 -4.881 -6.646 4.655 130 H GLU 16 H GLU 16 -3.541 -4.037 7.630 131 HA GLU 16 HA GLU 16 -4.690 -3.333 10.057 132 HB2 GLU 16 HB2 GLU 16 -1.930 -2.747 9.000 133 HB3 GLU 16 HB3 GLU 16 -2.415 -2.543 10.680 134 HG2 GLU 16 HG2 GLU 16 -2.865 -4.903 10.893 135 HG3 GLU 16 HG3 GLU 16 -2.550 -5.151 9.179 136 H SER 17 H SER 17 -4.094 -1.297 7.317 137 HA SER 17 HA SER 17 -4.322 1.138 8.831 138 HB2 SER 17 HB2 SER 17 -3.001 1.058 6.738 139 HB3 SER 17 HB3 SER 17 -4.465 0.687 5.837 140 HG SER 17 HG SER 17 -4.251 2.822 5.628 141 H ALA 18 H ALA 18 -6.427 -0.836 6.785 142 HA ALA 18 HA ALA 18 -8.641 0.973 6.914 143 HB1 ALA 18 HB1 ALA 18 -8.540 -1.913 6.039 144 HB2 ALA 18 HB2 ALA 18 -8.310 -0.515 4.989 145 HB3 ALA 18 HB3 ALA 18 -9.871 -0.794 5.758 146 H GLY 19 H GLY 19 -7.743 -2.060 8.499 147 HA2 GLY 19 HA2 GLY 19 -8.396 -1.973 10.929 148 HA3 GLY 19 HA3 GLY 19 -10.028 -1.737 10.304 149 H GLU 20 H GLU 20 -10.891 -3.638 11.030 150 HA GLU 20 HA GLU 20 -9.550 -6.109 10.232 151 HB2 GLU 20 HB2 GLU 20 -11.964 -5.751 12.019 152 HB3 GLU 20 HB3 GLU 20 -11.072 -7.240 11.761 153 HG2 GLU 20 HG2 GLU 20 -10.035 -4.758 13.116 154 HG3 GLU 20 HG3 GLU 20 -10.550 -6.243 13.910 155 H THR 21 H THR 21 -11.737 -4.053 9.130 156 HA THR 21 HA THR 21 -13.396 -6.097 7.804 157 HB THR 21 HB THR 21 -14.115 -3.193 8.275 158 HG1 THR 21 HG1 THR 21 -14.439 -5.521 9.844 159 HG21 THR 21 HG21 THR 21 -16.395 -3.974 7.778 160 HG22 THR 21 HG22 THR 21 -15.785 -5.607 7.521 161 HG23 THR 21 HG23 THR 21 -15.311 -4.309 6.427 162 H ASP 22 H ASP 22 -12.025 -6.353 6.044 163 HA ASP 22 HA ASP 22 -11.452 -4.032 4.383 164 HB2 ASP 22 HB2 ASP 22 -10.365 -5.681 2.812 165 HB3 ASP 22 HB3 ASP 22 -9.665 -5.665 4.423 166 H GLY 23 H GLY 23 -13.582 -6.743 4.566 167 HA2 GLY 23 HA2 GLY 23 -15.582 -7.202 3.590 168 HA3 GLY 23 HA3 GLY 23 -15.670 -5.496 3.207 169 H THR 24 H THR 24 -13.258 -7.785 1.945 170 HA THR 24 HA THR 24 -14.695 -8.271 -0.419 171 HB THR 24 HB THR 24 -14.075 -5.925 -0.907 172 HG1 THR 24 HG1 THR 24 -13.511 -6.314 -2.944 173 HG21 THR 24 HG21 THR 24 -11.702 -5.264 -1.210 174 HG22 THR 24 HG22 THR 24 -11.198 -6.848 -0.618 175 HG23 THR 24 HG23 THR 24 -12.041 -5.735 0.457 176 H ASP 25 H ASP 25 -12.336 -8.640 -2.012 177 HA ASP 25 HA ASP 25 -11.140 -10.922 -0.599 178 HB2 ASP 25 HB2 ASP 25 -11.269 -10.357 -3.574 179 HB3 ASP 25 HB3 ASP 25 -10.426 -11.717 -2.853 180 H LEU 26 H LEU 26 -9.725 -9.619 0.534 181 HA LEU 26 HA LEU 26 -7.855 -8.050 -1.051 182 HB2 LEU 26 HB2 LEU 26 -8.983 -7.190 1.059 183 HB3 LEU 26 HB3 LEU 26 -7.999 -8.329 1.954 184 HG LEU 26 HG LEU 26 -5.968 -7.169 1.113 185 HD11 LEU 26 HD11 LEU 26 -6.221 -4.964 0.082 186 HD12 LEU 26 HD12 LEU 26 -7.968 -5.197 0.013 187 HD13 LEU 26 HD13 LEU 26 -6.900 -6.237 -0.930 188 HD21 LEU 26 HD21 LEU 26 -6.924 -6.629 3.286 189 HD22 LEU 26 HD22 LEU 26 -7.958 -5.415 2.535 190 HD23 LEU 26 HD23 LEU 26 -6.206 -5.207 2.530 191 H SER 27 H SER 27 -8.218 -11.105 -0.326 192 HA SER 27 HA SER 27 -5.395 -11.659 0.163 193 HB2 SER 27 HB2 SER 27 -7.798 -13.482 0.333 194 HB3 SER 27 HB3 SER 27 -6.148 -13.878 0.832 195 HG SER 27 HG SER 27 -7.172 -11.576 1.902 196 H GLY 28 H GLY 28 -4.512 -13.451 -1.219 197 HA2 GLY 28 HA2 GLY 28 -4.267 -14.509 -3.253 198 HA3 GLY 28 HA3 GLY 28 -5.866 -13.927 -3.728 199 H ASP 29 H ASP 29 -5.418 -12.941 -5.639 200 HA ASP 29 HA ASP 29 -3.338 -10.892 -5.547 201 HB2 ASP 29 HB2 ASP 29 -3.058 -12.439 -7.426 202 HB3 ASP 29 HB3 ASP 29 -4.692 -12.072 -7.979 203 H PHE 30 H PHE 30 -4.448 -9.429 -4.456 204 HA PHE 30 HA PHE 30 -6.877 -8.283 -5.580 205 HB2 PHE 30 HB2 PHE 30 -6.844 -6.814 -3.600 206 HB3 PHE 30 HB3 PHE 30 -6.721 -8.509 -3.152 207 HD1 PHE 30 HD2 PHE 30 -4.470 -9.417 -2.495 208 HD2 PHE 30 HD1 PHE 30 -5.195 -5.262 -2.983 209 HE1 PHE 30 HE2 PHE 30 -2.452 -8.915 -1.198 210 HE2 PHE 30 HE1 PHE 30 -3.178 -4.756 -1.690 211 HZ PHE 30 HZ PHE 30 -1.823 -6.577 -0.768 212 H LEU 31 H LEU 31 -3.798 -8.082 -6.397 213 HA LEU 31 HA LEU 31 -2.966 -5.498 -6.167 214 HB2 LEU 31 HB2 LEU 31 -2.146 -7.675 -8.000 215 HB3 LEU 31 HB3 LEU 31 -1.527 -6.058 -8.261 216 HG LEU 31 HG LEU 31 -0.583 -6.048 -5.993 217 HD11 LEU 31 HD11 LEU 31 -1.536 -8.888 -5.808 218 HD12 LEU 31 HD12 LEU 31 -2.109 -7.510 -4.863 219 HD13 LEU 31 HD13 LEU 31 -0.451 -8.081 -4.673 220 HD21 LEU 31 HD21 LEU 31 0.238 -8.417 -7.654 221 HD22 LEU 31 HD22 LEU 31 1.211 -7.668 -6.388 222 HD23 LEU 31 HD23 LEU 31 0.806 -6.758 -7.844 223 H ASP 32 H ASP 32 -5.056 -6.634 -8.789 224 HA ASP 32 HA ASP 32 -4.822 -3.905 -9.824 225 HB2 ASP 32 HB2 ASP 32 -5.795 -4.602 -11.954 226 HB3 ASP 32 HB3 ASP 32 -4.397 -5.587 -11.574 227 H LEU 33 H LEU 33 -6.552 -5.195 -7.605 228 HA LEU 33 HA LEU 33 -9.165 -4.341 -8.431 229 HB2 LEU 33 HB2 LEU 33 -8.080 -5.083 -5.709 230 HB3 LEU 33 HB3 LEU 33 -9.755 -4.682 -6.031 231 HG LEU 33 HG LEU 33 -8.252 -7.069 -7.100 232 HD11 LEU 33 HD11 LEU 33 -8.833 -7.248 -4.754 233 HD12 LEU 33 HD12 LEU 33 -9.827 -8.337 -5.727 234 HD13 LEU 33 HD13 LEU 33 -10.504 -6.819 -5.125 235 HD21 LEU 33 HD21 LEU 33 -9.851 -6.239 -8.744 236 HD22 LEU 33 HD22 LEU 33 -11.122 -6.233 -7.522 237 HD23 LEU 33 HD23 LEU 33 -10.403 -7.758 -8.043 238 H ARG 34 H ARG 34 -9.882 -2.416 -8.276 239 HA ARG 34 HA ARG 34 -7.986 -0.308 -7.820 240 HB2 ARG 34 HB2 ARG 34 -10.924 -0.075 -8.445 241 HB3 ARG 34 HB3 ARG 34 -9.673 1.131 -8.723 242 HG2 ARG 34 HG2 ARG 34 -8.602 -0.401 -10.343 243 HG3 ARG 34 HG3 ARG 34 -9.932 -1.533 -10.110 244 HD2 ARG 34 HD2 ARG 34 -10.326 -0.242 -12.097 245 HD3 ARG 34 HD3 ARG 34 -11.497 0.223 -10.862 246 HE ARG 34 HE ARG 34 -9.262 1.859 -10.657 247 HH11 ARG 34 HH11 ARG 34 -11.876 1.311 -13.008 248 HH12 ARG 34 HH12 ARG 34 -11.892 2.951 -13.518 249 HH21 ARG 34 HH21 ARG 34 -9.304 3.986 -11.334 250 HH22 ARG 34 HH22 ARG 34 -10.358 4.533 -12.568 251 H PHE 35 H PHE 35 -7.912 1.127 -6.176 252 HA PHE 35 HA PHE 35 -8.862 0.478 -3.665 253 HB2 PHE 35 HB2 PHE 35 -7.939 3.151 -4.698 254 HB3 PHE 35 HB3 PHE 35 -8.367 2.876 -3.011 255 HD1 PHE 35 HD2 PHE 35 -7.139 0.931 -1.824 256 HD2 PHE 35 HD1 PHE 35 -5.759 2.764 -5.396 257 HE1 PHE 35 HE2 PHE 35 -4.869 0.116 -1.358 258 HE2 PHE 35 HE1 PHE 35 -3.488 1.954 -4.941 259 HZ PHE 35 HZ PHE 35 -3.037 0.629 -2.914 260 H GLU 36 H GLU 36 -10.354 2.697 -5.962 261 HA GLU 36 HA GLU 36 -12.509 3.562 -4.408 262 HB2 GLU 36 HB2 GLU 36 -12.267 3.104 -7.369 263 HB3 GLU 36 HB3 GLU 36 -13.725 3.754 -6.638 264 HG2 GLU 36 HG2 GLU 36 -10.988 4.977 -6.444 265 HG3 GLU 36 HG3 GLU 36 -12.260 5.483 -7.559 266 H ASP 37 H ASP 37 -12.002 0.539 -6.014 267 HA ASP 37 HA ASP 37 -14.772 -0.257 -5.824 268 HB2 ASP 37 HB2 ASP 37 -13.481 -0.978 -7.762 269 HB3 ASP 37 HB3 ASP 37 -12.325 -1.793 -6.714 270 H ILE 38 H ILE 38 -11.751 -0.840 -4.176 271 HA ILE 38 HA ILE 38 -13.082 -2.782 -2.474 272 HB ILE 38 HB ILE 38 -10.853 -3.196 -1.438 273 HG12 ILE 38 HG12 ILE 38 -9.851 -1.269 -3.562 274 HG13 ILE 38 HG13 ILE 38 -9.872 -0.959 -1.833 275 HG21 ILE 38 HG21 ILE 38 -10.959 -3.417 -4.444 276 HG22 ILE 38 HG22 ILE 38 -11.627 -4.567 -3.285 277 HG23 ILE 38 HG23 ILE 38 -9.881 -4.332 -3.389 278 HD11 ILE 38 HD11 ILE 38 -7.644 -1.555 -2.594 279 HD12 ILE 38 HD12 ILE 38 -8.258 -3.086 -3.227 280 HD13 ILE 38 HD13 ILE 38 -8.272 -2.782 -1.491 281 H GLY 39 H GLY 39 -13.347 0.239 -2.482 282 HA2 GLY 39 HA2 GLY 39 -14.049 1.794 -0.953 283 HA3 GLY 39 HA3 GLY 39 -14.227 0.458 0.168 284 H TYR 40 H TYR 40 -11.342 1.885 -1.338 285 HA TYR 40 HA TYR 40 -10.290 2.257 1.370 286 HB2 TYR 40 HB2 TYR 40 -8.976 1.592 -1.198 287 HB3 TYR 40 HB3 TYR 40 -8.086 2.616 -0.076 288 HD1 TYR 40 HD1 TYR 40 -10.217 -0.424 0.091 289 HD2 TYR 40 HD2 TYR 40 -6.649 1.509 1.321 290 HE1 TYR 40 HE1 TYR 40 -9.578 -2.425 1.299 291 HE2 TYR 40 HE2 TYR 40 -5.970 -0.490 2.553 292 HH TYR 40 HH TYR 40 -7.515 -3.488 2.153 293 H ASP 41 H ASP 41 -10.411 4.091 2.194 294 HA ASP 41 HA ASP 41 -10.944 6.498 0.777 295 HB2 ASP 41 HB2 ASP 41 -11.349 5.937 3.341 296 HB3 ASP 41 HB3 ASP 41 -9.614 6.357 3.353 297 H SER 42 H SER 42 -9.581 8.230 0.690 298 HA SER 42 HA SER 42 -7.077 7.726 -0.502 299 HB2 SER 42 HB2 SER 42 -6.833 10.215 -0.385 300 HB3 SER 42 HB3 SER 42 -8.290 9.637 -1.219 301 H LEU 43 H LEU 43 -7.968 9.052 2.627 302 HA LEU 43 HA LEU 43 -5.324 9.554 3.486 303 HB2 LEU 43 HB2 LEU 43 -7.831 9.139 5.101 304 HB3 LEU 43 HB3 LEU 43 -6.320 9.766 5.726 305 HG LEU 43 HG LEU 43 -8.011 11.114 3.616 306 HD11 LEU 43 HD11 LEU 43 -9.098 11.107 5.788 307 HD12 LEU 43 HD12 LEU 43 -8.529 12.722 5.372 308 HD13 LEU 43 HD13 LEU 43 -7.634 11.742 6.534 309 HD21 LEU 43 HD21 LEU 43 -6.536 13.021 3.991 310 HD22 LEU 43 HD22 LEU 43 -5.633 11.620 3.410 311 HD23 LEU 43 HD23 LEU 43 -5.577 12.062 5.117 312 H ALA 44 H ALA 44 -7.535 6.868 3.898 313 HA ALA 44 HA ALA 44 -5.924 5.314 5.636 314 HB1 ALA 44 HB1 ALA 44 -8.000 4.355 3.650 315 HB2 ALA 44 HB2 ALA 44 -8.332 4.886 5.298 316 HB3 ALA 44 HB3 ALA 44 -7.365 3.439 5.014 317 H LEU 45 H LEU 45 -6.129 5.557 2.161 318 HA LEU 45 HA LEU 45 -4.444 3.428 1.426 319 HB2 LEU 45 HB2 LEU 45 -6.038 4.847 0.022 320 HB3 LEU 45 HB3 LEU 45 -4.806 6.076 0.014 321 HG LEU 45 HG LEU 45 -4.540 3.334 -1.237 322 HD11 LEU 45 HD11 LEU 45 -5.095 6.025 -2.459 323 HD12 LEU 45 HD12 LEU 45 -6.215 4.665 -2.304 324 HD13 LEU 45 HD13 LEU 45 -4.796 4.519 -3.342 325 HD21 LEU 45 HD21 LEU 45 -2.777 5.782 -1.504 326 HD22 LEU 45 HD22 LEU 45 -2.573 4.256 -2.370 327 HD23 LEU 45 HD23 LEU 45 -2.359 4.314 -0.618 328 H MET 46 H MET 46 -3.799 6.912 1.876 329 HA MET 46 HA MET 46 -1.027 6.694 1.528 330 HB2 MET 46 HB2 MET 46 -2.593 8.840 2.955 331 HB3 MET 46 HB3 MET 46 -0.909 8.972 2.446 332 HG2 MET 46 HG2 MET 46 -1.655 8.496 0.146 333 HG3 MET 46 HG3 MET 46 -3.300 8.589 0.716 334 HE1 MET 46 HE1 MET 46 -3.155 10.968 2.852 335 HE2 MET 46 HE2 MET 46 -4.446 10.807 1.667 336 HE3 MET 46 HE3 MET 46 -3.609 12.348 1.855 337 H GLU 47 H GLU 47 -3.025 6.430 4.373 338 HA GLU 47 HA GLU 47 -1.008 6.347 6.314 339 HB2 GLU 47 HB2 GLU 47 -3.724 5.343 6.019 340 HB3 GLU 47 HB3 GLU 47 -2.828 4.683 7.400 341 HG2 GLU 47 HG2 GLU 47 -3.566 7.545 6.783 342 HG3 GLU 47 HG3 GLU 47 -4.164 6.550 8.111 343 H THR 48 H THR 48 -2.312 3.820 4.250 344 HA THR 48 HA THR 48 -0.895 1.614 5.178 345 HB THR 48 HB THR 48 -1.976 2.458 2.496 346 HG1 THR 48 HG1 THR 48 -2.819 0.415 4.256 347 HG21 THR 48 HG21 THR 48 -0.136 0.948 1.993 348 HG22 THR 48 HG22 THR 48 -1.682 0.135 1.704 349 HG23 THR 48 HG23 THR 48 -0.751 -0.226 3.158 350 H ALA 49 H ALA 49 -0.145 3.851 2.522 351 HA ALA 49 HA ALA 49 2.394 2.896 1.879 352 HB1 ALA 49 HB1 ALA 49 1.377 5.725 1.629 353 HB2 ALA 49 HB2 ALA 49 1.078 4.431 0.477 354 HB3 ALA 49 HB3 ALA 49 2.725 5.016 0.736 355 H ALA 50 H ALA 50 1.436 5.506 4.075 356 HA ALA 50 HA ALA 50 3.939 6.411 4.829 357 HB1 ALA 50 HB1 ALA 50 1.841 7.599 5.297 358 HB2 ALA 50 HB2 ALA 50 2.843 7.428 6.737 359 HB3 ALA 50 HB3 ALA 50 1.441 6.388 6.513 360 H ARG 51 H ARG 51 2.057 3.744 6.149 361 HA ARG 51 HA ARG 51 3.762 3.361 8.368 362 HB2 ARG 51 HB2 ARG 51 1.413 2.390 8.088 363 HB3 ARG 51 HB3 ARG 51 2.164 1.146 7.085 364 HG2 ARG 51 HG2 ARG 51 3.585 0.481 8.916 365 HG3 ARG 51 HG3 ARG 51 2.931 1.767 9.920 366 HD2 ARG 51 HD2 ARG 51 0.667 0.643 9.549 367 HD3 ARG 51 HD3 ARG 51 1.600 -0.738 8.960 368 HE ARG 51 HE ARG 51 2.353 0.381 11.519 369 HH11 ARG 51 HH11 ARG 51 0.905 -2.344 9.798 370 HH12 ARG 51 HH12 ARG 51 0.626 -3.266 11.198 371 HH21 ARG 51 HH21 ARG 51 1.997 -0.887 13.455 372 HH22 ARG 51 HH22 ARG 51 1.299 -2.441 13.315 373 H LEU 52 H LEU 52 3.692 1.975 5.130 374 HA LEU 52 HA LEU 52 5.945 0.293 5.538 375 HB2 LEU 52 HB2 LEU 52 4.949 1.377 2.867 376 HB3 LEU 52 HB3 LEU 52 5.955 -0.040 3.133 377 HG LEU 52 HG LEU 52 3.098 0.178 4.014 378 HD11 LEU 52 HD11 LEU 52 3.295 0.114 1.588 379 HD12 LEU 52 HD12 LEU 52 2.665 -1.411 2.208 380 HD13 LEU 52 HD13 LEU 52 4.352 -1.294 1.702 381 HD21 LEU 52 HD21 LEU 52 5.035 -2.137 3.999 382 HD22 LEU 52 HD22 LEU 52 3.329 -2.223 4.439 383 HD23 LEU 52 HD23 LEU 52 4.450 -1.287 5.429 384 H GLU 53 H GLU 53 5.549 3.629 4.452 385 HA GLU 53 HA GLU 53 8.148 4.268 3.685 386 HB2 GLU 53 HB2 GLU 53 6.215 5.959 5.241 387 HB3 GLU 53 HB3 GLU 53 7.698 6.565 4.541 388 HG2 GLU 53 HG2 GLU 53 6.783 5.983 2.304 389 HG3 GLU 53 HG3 GLU 53 5.266 5.550 3.103 390 H SER 54 H SER 54 6.670 4.550 6.844 391 HA SER 54 HA SER 54 8.947 5.370 8.234 392 HB2 SER 54 HB2 SER 54 6.560 3.873 9.309 393 HB3 SER 54 HB3 SER 54 7.637 4.947 10.204 394 HG SER 54 HG SER 54 5.665 5.569 8.292 395 H ARG 55 H ARG 55 7.510 2.139 7.824 396 HA ARG 55 HA ARG 55 9.260 0.796 9.554 397 HB2 ARG 55 HB2 ARG 55 7.032 -0.043 8.759 398 HB3 ARG 55 HB3 ARG 55 7.789 -0.424 7.219 399 HG2 ARG 55 HG2 ARG 55 9.373 -1.907 8.443 400 HG3 ARG 55 HG3 ARG 55 8.432 -1.621 9.907 401 HD2 ARG 55 HD2 ARG 55 7.457 -2.886 7.347 402 HD3 ARG 55 HD3 ARG 55 7.789 -3.720 8.860 403 HE ARG 55 HE ARG 55 5.924 -1.995 9.642 404 HH11 ARG 55 HH11 ARG 55 5.982 -4.053 6.733 405 HH12 ARG 55 HH12 ARG 55 4.324 -4.278 6.664 406 HH21 ARG 55 HH21 ARG 55 3.719 -2.307 9.621 407 HH22 ARG 55 HH22 ARG 55 2.914 -3.255 8.431 408 H TYR 56 H TYR 56 9.400 1.192 6.001 409 HA TYR 56 HA TYR 56 11.886 -0.354 6.035 410 HB2 TYR 56 HB2 TYR 56 10.161 0.397 3.674 411 HB3 TYR 56 HB3 TYR 56 11.570 -0.661 3.630 412 HD1 TYR 56 HD2 TYR 56 11.506 -2.780 5.017 413 HD2 TYR 56 HD1 TYR 56 8.044 -0.463 4.195 414 HE1 TYR 56 HE2 TYR 56 10.101 -4.726 5.489 415 HE2 TYR 56 HE1 TYR 56 6.624 -2.415 4.659 416 HH TYR 56 HH TYR 56 7.840 -5.270 6.115 417 H GLY 57 H GLY 57 10.940 2.857 5.892 418 HA2 GLY 57 HA2 GLY 57 12.344 4.707 5.773 419 HA3 GLY 57 HA3 GLY 57 13.653 3.640 5.284 420 H VAL 58 H VAL 58 10.470 4.428 3.956 421 HA VAL 58 HA VAL 58 11.794 5.171 1.453 422 HB VAL 58 HB VAL 58 10.084 4.187 0.071 423 HG11 VAL 58 HG11 VAL 58 10.279 1.815 0.517 424 HG12 VAL 58 HG12 VAL 58 10.880 2.188 2.133 425 HG13 VAL 58 HG13 VAL 58 11.823 2.660 0.712 426 HG21 VAL 58 HG21 VAL 58 8.120 4.576 1.451 427 HG22 VAL 58 HG22 VAL 58 8.652 3.331 2.582 428 HG23 VAL 58 HG23 VAL 58 8.192 2.890 0.938 429 H SER 59 H SER 59 10.023 6.397 0.003 430 HA SER 59 HA SER 59 8.346 7.991 1.723 431 HB2 SER 59 HB2 SER 59 9.229 10.051 0.499 432 HB3 SER 59 HB3 SER 59 10.281 9.334 1.721 433 HG SER 59 HG SER 59 10.483 9.311 -1.075 434 H ILE 60 H ILE 60 6.461 8.177 0.926 435 HA ILE 60 HA ILE 60 6.007 7.963 -1.988 436 HB ILE 60 HB ILE 60 4.095 7.031 0.190 437 HG12 ILE 60 HG12 ILE 60 6.021 5.513 0.148 438 HG13 ILE 60 HG13 ILE 60 4.597 4.702 -0.480 439 HG21 ILE 60 HG21 ILE 60 2.957 7.739 -1.816 440 HG22 ILE 60 HG22 ILE 60 2.839 5.987 -1.645 441 HG23 ILE 60 HG23 ILE 60 3.973 6.686 -2.800 442 HD11 ILE 60 HD11 ILE 60 5.431 5.061 -2.764 443 HD12 ILE 60 HD12 ILE 60 6.577 4.151 -1.776 444 HD13 ILE 60 HD13 ILE 60 6.856 5.864 -2.104 445 HA PRO 61 HA PRO 61 4.542 12.134 -0.689 446 HB2 PRO 61 HB2 PRO 61 4.571 12.442 -3.644 447 HB3 PRO 61 HB3 PRO 61 5.262 13.487 -2.395 448 HG2 PRO 61 HG2 PRO 61 6.843 11.962 -3.887 449 HG3 PRO 61 HG3 PRO 61 7.161 12.161 -2.151 450 HD2 PRO 61 HD2 PRO 61 5.874 9.867 -3.591 451 HD3 PRO 61 HD3 PRO 61 7.074 9.840 -2.281 452 H ASP 62 H ASP 62 2.599 13.265 -1.030 453 HA ASP 62 HA ASP 62 0.292 11.695 -1.113 454 HB2 ASP 62 HB2 ASP 62 -0.978 13.665 -0.775 455 HB3 ASP 62 HB3 ASP 62 0.560 13.944 0.027 456 H ASP 63 H ASP 63 1.802 13.493 -3.714 457 HA ASP 63 HA ASP 63 -0.426 13.300 -5.503 458 HB2 ASP 63 HB2 ASP 63 1.142 15.029 -5.968 459 HB3 ASP 63 HB3 ASP 63 2.499 13.910 -5.937 460 H VAL 64 H VAL 64 2.266 11.334 -4.751 461 HA VAL 64 HA VAL 64 2.074 9.528 -6.988 462 HB VAL 64 HB VAL 64 3.367 9.153 -4.285 463 HG11 VAL 64 HG11 VAL 64 3.121 7.087 -5.544 464 HG12 VAL 64 HG12 VAL 64 4.819 7.556 -5.463 465 HG13 VAL 64 HG13 VAL 64 3.898 7.826 -6.946 466 HG21 VAL 64 HG21 VAL 64 5.451 9.908 -5.368 467 HG22 VAL 64 HG22 VAL 64 4.216 11.166 -5.307 468 HG23 VAL 64 HG23 VAL 64 4.524 10.306 -6.815 469 H ALA 65 H ALA 65 1.349 9.337 -3.537 470 HA ALA 65 HA ALA 65 0.064 6.860 -3.558 471 HB1 ALA 65 HB1 ALA 65 0.859 7.976 -1.526 472 HB2 ALA 65 HB2 ALA 65 -0.823 7.471 -1.392 473 HB3 ALA 65 HB3 ALA 65 -0.431 9.169 -1.688 474 H GLY 66 H GLY 66 -1.145 10.020 -4.422 475 HA2 GLY 66 HA2 GLY 66 -3.896 9.108 -4.463 476 HA3 GLY 66 HA3 GLY 66 -3.317 10.707 -4.903 477 H ARG 67 H ARG 67 -1.290 8.861 -6.545 478 HA ARG 67 HA ARG 67 -2.879 9.073 -8.986 479 HB2 ARG 67 HB2 ARG 67 -0.665 10.133 -8.943 480 HB3 ARG 67 HB3 ARG 67 0.077 8.587 -8.573 481 HG2 ARG 67 HG2 ARG 67 -0.601 7.732 -10.752 482 HG3 ARG 67 HG3 ARG 67 -1.381 9.271 -11.119 483 HD2 ARG 67 HD2 ARG 67 0.795 9.185 -12.167 484 HD3 ARG 67 HD3 ARG 67 0.791 10.401 -10.895 485 HE ARG 67 HE ARG 67 1.969 7.715 -10.627 486 HH11 ARG 67 HH11 ARG 67 2.017 11.194 -9.855 487 HH12 ARG 67 HH12 ARG 67 3.544 11.150 -9.100 488 HH21 ARG 67 HH21 ARG 67 4.063 7.673 -9.614 489 HH22 ARG 67 HH22 ARG 67 4.769 9.095 -8.991 490 H VAL 68 H VAL 68 -1.410 6.753 -6.899 491 HA VAL 68 HA VAL 68 -1.632 4.600 -8.770 492 HB VAL 68 HB VAL 68 -0.997 3.139 -6.797 493 HG11 VAL 68 HG11 VAL 68 1.297 4.002 -6.687 494 HG12 VAL 68 HG12 VAL 68 0.748 5.525 -7.386 495 HG13 VAL 68 HG13 VAL 68 0.659 4.037 -8.331 496 HG21 VAL 68 HG21 VAL 68 -0.207 4.231 -4.752 497 HG22 VAL 68 HG22 VAL 68 -1.921 4.586 -5.000 498 HG23 VAL 68 HG23 VAL 68 -0.699 5.798 -5.391 499 H ASP 69 H ASP 69 -3.390 3.731 -9.325 500 HA ASP 69 HA ASP 69 -5.836 4.085 -7.784 501 HB2 ASP 69 HB2 ASP 69 -5.779 4.612 -10.187 502 HB3 ASP 69 HB3 ASP 69 -5.327 2.953 -10.542 503 H THR 70 H THR 70 -3.533 1.613 -8.549 504 HA THR 70 HA THR 70 -5.262 -0.366 -7.264 505 HB THR 70 HB THR 70 -4.020 -2.075 -8.627 506 HG1 THR 70 HG1 THR 70 -3.235 -0.363 -10.608 507 HG21 THR 70 HG21 THR 70 -5.537 0.015 -10.203 508 HG22 THR 70 HG22 THR 70 -6.248 -1.333 -9.311 509 HG23 THR 70 HG23 THR 70 -5.239 -1.643 -10.722 510 HA PRO 71 HA PRO 71 -2.146 -0.899 -4.121 511 HB2 PRO 71 HB2 PRO 71 -2.577 -3.825 -4.352 512 HB3 PRO 71 HB3 PRO 71 -2.767 -2.759 -2.965 513 HG2 PRO 71 HG2 PRO 71 -4.898 -3.740 -4.239 514 HG3 PRO 71 HG3 PRO 71 -4.896 -2.106 -3.551 515 HD2 PRO 71 HD2 PRO 71 -4.595 -2.975 -6.389 516 HD3 PRO 71 HD3 PRO 71 -5.457 -1.574 -5.723 517 H ARG 72 H ARG 72 -2.060 -2.915 -6.957 518 HA ARG 72 HA ARG 72 0.443 -4.108 -6.886 519 HB2 ARG 72 HB2 ARG 72 -1.400 -4.352 -8.580 520 HB3 ARG 72 HB3 ARG 72 -0.873 -2.841 -9.284 521 HG2 ARG 72 HG2 ARG 72 1.225 -3.828 -9.929 522 HG3 ARG 72 HG3 ARG 72 0.803 -5.337 -9.095 523 HD2 ARG 72 HD2 ARG 72 -1.202 -5.513 -10.526 524 HD3 ARG 72 HD3 ARG 72 -0.662 -4.094 -11.412 525 HE ARG 72 HE ARG 72 1.400 -5.937 -11.492 526 HH11 ARG 72 HH11 ARG 72 -1.887 -5.536 -12.743 527 HH12 ARG 72 HH12 ARG 72 -1.716 -6.725 -13.956 528 HH21 ARG 72 HH21 ARG 72 1.670 -7.421 -13.240 529 HH22 ARG 72 HH22 ARG 72 0.384 -7.733 -14.335 530 H GLU 73 H GLU 73 -0.481 -0.949 -8.133 531 HA GLU 73 HA GLU 73 2.068 -0.088 -8.900 532 HB2 GLU 73 HB2 GLU 73 -0.388 1.504 -8.204 533 HB3 GLU 73 HB3 GLU 73 1.011 2.103 -9.086 534 HG2 GLU 73 HG2 GLU 73 -0.794 -0.125 -9.985 535 HG3 GLU 73 HG3 GLU 73 -0.852 1.542 -10.556 536 H LEU 74 H LEU 74 0.230 0.251 -5.945 537 HA LEU 74 HA LEU 74 1.931 2.168 -4.707 538 HB2 LEU 74 HB2 LEU 74 -0.488 1.720 -4.114 539 HB3 LEU 74 HB3 LEU 74 0.007 0.211 -3.398 540 HG LEU 74 HG LEU 74 -0.526 2.056 -1.774 541 HD11 LEU 74 HD11 LEU 74 2.287 1.003 -1.604 542 HD12 LEU 74 HD12 LEU 74 0.827 0.199 -1.023 543 HD13 LEU 74 HD13 LEU 74 1.360 1.704 -0.275 544 HD21 LEU 74 HD21 LEU 74 0.371 3.925 -3.011 545 HD22 LEU 74 HD22 LEU 74 2.001 3.272 -2.859 546 HD23 LEU 74 HD23 LEU 74 1.138 3.824 -1.424 547 H LEU 75 H LEU 75 1.683 -1.350 -4.517 548 HA LEU 75 HA LEU 75 3.711 -1.870 -2.666 549 HB2 LEU 75 HB2 LEU 75 2.167 -3.577 -3.461 550 HB3 LEU 75 HB3 LEU 75 2.852 -3.484 -5.069 551 HG LEU 75 HG LEU 75 4.991 -4.357 -4.191 552 HD11 LEU 75 HD11 LEU 75 5.069 -5.331 -1.946 553 HD12 LEU 75 HD12 LEU 75 3.473 -4.661 -1.609 554 HD13 LEU 75 HD13 LEU 75 4.835 -3.585 -1.906 555 HD21 LEU 75 HD21 LEU 75 4.224 -6.660 -3.828 556 HD22 LEU 75 HD22 LEU 75 3.366 -5.886 -5.160 557 HD23 LEU 75 HD23 LEU 75 2.579 -6.068 -3.592 558 H ASP 76 H ASP 76 3.823 -1.497 -6.159 559 HA ASP 76 HA ASP 76 6.545 -2.139 -6.449 560 HB2 ASP 76 HB2 ASP 76 4.776 -2.120 -8.268 561 HB3 ASP 76 HB3 ASP 76 4.981 -0.370 -8.324 562 H LEU 77 H LEU 77 4.911 0.856 -5.718 563 HA LEU 77 HA LEU 77 7.003 2.701 -6.166 564 HB2 LEU 77 HB2 LEU 77 4.920 2.755 -3.984 565 HB3 LEU 77 HB3 LEU 77 5.900 4.109 -4.492 566 HG LEU 77 HG LEU 77 3.817 2.739 -6.176 567 HD11 LEU 77 HD11 LEU 77 3.766 5.357 -4.693 568 HD12 LEU 77 HD12 LEU 77 2.850 3.910 -4.282 569 HD13 LEU 77 HD13 LEU 77 2.513 4.767 -5.783 570 HD21 LEU 77 HD21 LEU 77 5.611 3.745 -7.508 571 HD22 LEU 77 HD22 LEU 77 5.404 5.268 -6.641 572 HD23 LEU 77 HD23 LEU 77 4.110 4.656 -7.672 573 H ILE 78 H ILE 78 6.094 0.819 -3.339 574 HA ILE 78 HA ILE 78 8.086 1.721 -1.552 575 HB ILE 78 HB ILE 78 6.841 -1.050 -1.624 576 HG12 ILE 78 HG12 ILE 78 5.065 0.662 -1.653 577 HG13 ILE 78 HG13 ILE 78 5.097 -0.195 -0.121 578 HG21 ILE 78 HG21 ILE 78 8.025 0.530 0.657 579 HG22 ILE 78 HG22 ILE 78 8.740 -0.881 -0.125 580 HG23 ILE 78 HG23 ILE 78 7.248 -1.049 0.797 581 HD11 ILE 78 HD11 ILE 78 6.210 2.557 -0.638 582 HD12 ILE 78 HD12 ILE 78 6.236 1.709 0.910 583 HD13 ILE 78 HD13 ILE 78 4.700 2.179 0.189 584 H ASN 79 H ASN 79 7.891 -0.953 -3.809 585 HA ASN 79 HA ASN 79 10.373 -2.198 -3.290 586 HB2 ASN 79 HB2 ASN 79 8.711 -2.132 -5.819 587 HB3 ASN 79 HB3 ASN 79 10.230 -2.995 -5.731 588 HD21 ASN 79 HD21 ASN 79 7.806 -2.888 -3.120 589 HD22 ASN 79 HD22 ASN 79 7.372 -4.558 -3.287 590 H GLY 80 H GLY 80 9.498 0.240 -5.716 591 HA2 GLY 80 HA2 GLY 80 11.971 0.531 -6.946 592 HA3 GLY 80 HA3 GLY 80 10.719 1.758 -6.890 593 H ALA 81 H ALA 81 10.736 2.169 -4.076 594 HA ALA 81 HA ALA 81 12.878 4.026 -3.936 595 HB1 ALA 81 HB1 ALA 81 11.062 3.065 -1.722 596 HB2 ALA 81 HB2 ALA 81 10.734 4.415 -2.811 597 HB3 ALA 81 HB3 ALA 81 12.079 4.504 -1.676 598 H LEU 82 H LEU 82 12.303 0.887 -2.439 599 HA LEU 82 HA LEU 82 14.710 0.855 -0.925 600 HB2 LEU 82 HB2 LEU 82 12.887 -1.375 -1.829 601 HB3 LEU 82 HB3 LEU 82 14.227 -1.600 -0.720 602 HG LEU 82 HG LEU 82 11.859 0.202 -0.179 603 HD11 LEU 82 HD11 LEU 82 11.162 -2.137 -0.256 604 HD12 LEU 82 HD12 LEU 82 11.136 -1.520 1.396 605 HD13 LEU 82 HD13 LEU 82 12.455 -2.565 0.866 606 HD21 LEU 82 HD21 LEU 82 14.093 -0.769 1.597 607 HD22 LEU 82 HD22 LEU 82 12.721 0.210 2.112 608 HD23 LEU 82 HD23 LEU 82 13.898 0.865 0.972 609 H ALA 83 H ALA 83 13.837 -0.128 -4.142 610 HA ALA 83 HA ALA 83 16.203 -1.489 -4.807 611 HB1 ALA 83 HB1 ALA 83 14.153 -1.650 -6.140 612 HB2 ALA 83 HB2 ALA 83 15.537 -1.186 -7.125 613 HB3 ALA 83 HB3 ALA 83 14.351 0.029 -6.639 614 H GLU 84 H GLU 84 15.382 1.919 -4.831 615 HA GLU 84 HA GLU 84 17.787 2.709 -6.165 616 HB2 GLU 84 HB2 GLU 84 15.694 4.275 -4.678 617 HB3 GLU 84 HB3 GLU 84 17.129 5.030 -5.355 618 HG2 GLU 84 HG2 GLU 84 15.019 3.531 -6.880 619 HG3 GLU 84 HG3 GLU 84 15.242 5.282 -6.838 620 H ALA 85 H ALA 85 16.691 3.001 -2.792 621 HA ALA 85 HA ALA 85 19.494 3.505 -2.110 622 HB1 ALA 85 HB1 ALA 85 17.983 5.353 -1.572 623 HB2 ALA 85 HB2 ALA 85 18.674 4.642 -0.113 624 HB3 ALA 85 HB3 ALA 85 17.014 4.269 -0.576 625 H ALA 86 H ALA 86 20.325 1.548 -1.681 626 HA ALA 86 HA ALA 86 19.684 0.294 0.772 627 HB1 ALA 86 HB1 ALA 86 17.915 -0.759 -0.583 628 HB2 ALA 86 HB2 ALA 86 19.130 -1.931 -0.072 629 HB3 ALA 86 HB3 ALA 86 19.137 -1.316 -1.726 630 H28 SXA 87 H28A SXA 87 -11.623 12.170 0.185 631 H28A SXA 87 H28B SXA 87 -11.038 10.684 0.931 632 H30 SXA 87 H30A SXA 87 -11.179 10.493 3.446 633 H30A SXA 87 H30B SXA 87 -12.137 11.663 4.359 634 H30B SXA 87 H30C SXA 87 -10.593 12.141 3.651 635 H31 SXA 87 H31A SXA 87 -13.283 13.543 3.142 636 H31A SXA 87 H31B SXA 87 -13.062 13.712 1.401 637 H31B SXA 87 H31C SXA 87 -11.713 14.018 2.494 638 H32 SXA 87 H32A SXA 87 -13.173 10.101 1.516 639 HO33 SXA 87 H33A SXA 87 -15.056 11.981 1.487 640 HN36 SXA 87 H36A SXA 87 -13.199 9.390 3.728 641 H37 SXA 87 H37A SXA 87 -15.026 10.377 5.756 642 H37A SXA 87 H37B SXA 87 -15.687 9.063 4.823 643 H38 SXA 87 H38A SXA 87 -14.838 8.020 6.643 644 H38A SXA 87 H38B SXA 87 -13.613 7.701 5.386 645 HN41 SXA 87 H41A SXA 87 -13.340 10.859 6.355 646 H42 SXA 87 H42A SXA 87 -12.452 11.270 8.774 647 H42A SXA 87 H42B SXA 87 -11.083 10.355 8.124 648 H43 SXA 87 H43A SXA 87 -10.779 12.029 6.397 649 H43A SXA 87 H43B SXA 87 -10.858 12.877 7.961 650 H2 SXA 87 H2C SXA 87 -14.678 15.279 7.347 651 H2A SXA 87 H2A SXA 87 -15.194 14.682 8.931 652 H2B SXA 87 H2B SXA 87 -15.492 13.713 7.480 Start of MODEL 6 1 H1 MET 1 H1 MET 1 20.662 -4.206 -2.231 2 H2 MET 1 H2 MET 1 20.031 -4.442 -0.688 3 H3 MET 1 H3 MET 1 19.369 -3.255 -1.677 4 HA MET 1 HA MET 1 18.538 -4.894 -3.162 5 HB2 MET 1 HB2 MET 1 19.650 -6.831 -1.104 6 HB3 MET 1 HB3 MET 1 18.507 -7.288 -2.359 7 HG2 MET 1 HG2 MET 1 20.122 -6.655 -4.077 8 HG3 MET 1 HG3 MET 1 21.261 -6.167 -2.829 9 HE1 MET 1 HE1 MET 1 22.489 -7.871 -1.193 10 HE2 MET 1 HE2 MET 1 22.175 -9.605 -1.172 11 HE3 MET 1 HE3 MET 1 20.923 -8.477 -0.652 12 H ALA 2 H ALA 2 18.576 -5.155 0.386 13 HA ALA 2 HA ALA 2 17.050 -4.719 1.943 14 HB1 ALA 2 HB1 ALA 2 15.493 -3.311 -0.235 15 HB2 ALA 2 HB2 ALA 2 16.760 -2.580 0.746 16 HB3 ALA 2 HB3 ALA 2 15.265 -3.124 1.505 17 H THR 3 H THR 3 14.362 -4.731 2.073 18 HA THR 3 HA THR 3 13.730 -7.488 1.353 19 HB THR 3 HB THR 3 12.273 -5.573 3.186 20 HG1 THR 3 HG1 THR 3 14.268 -5.670 4.044 21 HG21 THR 3 HG21 THR 3 11.070 -7.626 2.549 22 HG22 THR 3 HG22 THR 3 11.515 -7.655 4.257 23 HG23 THR 3 HG23 THR 3 12.446 -8.594 3.087 24 H LEU 4 H LEU 4 12.779 -7.422 -0.708 25 HA LEU 4 HA LEU 4 11.069 -5.212 -1.435 26 HB2 LEU 4 HB2 LEU 4 11.707 -7.766 -2.926 27 HB3 LEU 4 HB3 LEU 4 10.771 -6.433 -3.565 28 HG LEU 4 HG LEU 4 13.702 -6.365 -2.847 29 HD11 LEU 4 HD11 LEU 4 12.290 -6.243 -5.502 30 HD12 LEU 4 HD12 LEU 4 13.223 -7.601 -4.877 31 HD13 LEU 4 HD13 LEU 4 14.027 -6.073 -5.246 32 HD21 LEU 4 HD21 LEU 4 12.645 -4.207 -2.389 33 HD22 LEU 4 HD22 LEU 4 11.942 -4.200 -4.008 34 HD23 LEU 4 HD23 LEU 4 13.691 -4.106 -3.806 35 H LEU 5 H LEU 5 8.939 -5.217 -1.372 36 HA LEU 5 HA LEU 5 7.760 -7.344 0.206 37 HB2 LEU 5 HB2 LEU 5 6.542 -4.750 -0.672 38 HB3 LEU 5 HB3 LEU 5 5.889 -5.864 0.506 39 HG LEU 5 HG LEU 5 8.345 -4.167 0.768 40 HD11 LEU 5 HD11 LEU 5 7.106 -3.185 2.626 41 HD12 LEU 5 HD12 LEU 5 5.733 -4.227 2.254 42 HD13 LEU 5 HD13 LEU 5 6.255 -3.005 1.092 43 HD21 LEU 5 HD21 LEU 5 8.587 -5.132 3.009 44 HD22 LEU 5 HD22 LEU 5 8.779 -6.355 1.752 45 HD23 LEU 5 HD23 LEU 5 7.274 -6.257 2.666 46 H THR 6 H THR 6 6.035 -8.514 -0.320 47 HA THR 6 HA THR 6 5.157 -8.402 -3.086 48 HB THR 6 HB THR 6 4.462 -10.807 -2.741 49 HG1 THR 6 HG1 THR 6 6.244 -10.900 -0.564 50 HG21 THR 6 HG21 THR 6 7.409 -10.211 -2.402 51 HG22 THR 6 HG22 THR 6 6.536 -10.258 -3.932 52 HG23 THR 6 HG23 THR 6 6.733 -11.733 -2.984 53 H THR 7 H THR 7 2.870 -9.860 -2.893 54 HA THR 7 HA THR 7 0.897 -8.143 -2.204 55 HB THR 7 HB THR 7 0.778 -11.164 -2.179 56 HG1 THR 7 HG1 THR 7 0.146 -10.696 -4.473 57 HG21 THR 7 HG21 THR 7 -1.265 -10.086 -1.296 58 HG22 THR 7 HG22 THR 7 -1.565 -10.839 -2.860 59 HG23 THR 7 HG23 THR 7 -1.362 -9.092 -2.746 60 H ASP 8 H ASP 8 2.441 -10.518 -0.079 61 HA ASP 8 HA ASP 8 0.516 -10.456 1.963 62 HB2 ASP 8 HB2 ASP 8 3.393 -11.319 1.998 63 HB3 ASP 8 HB3 ASP 8 2.408 -11.334 3.458 64 H ASP 9 H ASP 9 3.627 -8.628 1.835 65 HA ASP 9 HA ASP 9 2.995 -7.344 4.317 66 HB2 ASP 9 HB2 ASP 9 5.338 -7.498 2.952 67 HB3 ASP 9 HB3 ASP 9 4.820 -5.864 2.535 68 H LEU 10 H LEU 10 2.493 -6.638 1.029 69 HA LEU 10 HA LEU 10 1.570 -3.987 1.207 70 HB2 LEU 10 HB2 LEU 10 2.029 -5.193 -0.916 71 HB3 LEU 10 HB3 LEU 10 0.611 -6.183 -0.640 72 HG LEU 10 HG LEU 10 -0.795 -4.139 -0.816 73 HD11 LEU 10 HD11 LEU 10 1.785 -2.820 -1.644 74 HD12 LEU 10 HD12 LEU 10 0.860 -2.475 -0.183 75 HD13 LEU 10 HD13 LEU 10 0.176 -2.109 -1.767 76 HD21 LEU 10 HD21 LEU 10 -0.473 -5.608 -2.732 77 HD22 LEU 10 HD22 LEU 10 0.988 -4.725 -3.177 78 HD23 LEU 10 HD23 LEU 10 -0.582 -3.925 -3.247 79 H ARG 11 H ARG 11 -0.285 -7.027 1.200 80 HA ARG 11 HA ARG 11 -2.829 -6.125 1.759 81 HB2 ARG 11 HB2 ARG 11 -2.291 -8.432 1.189 82 HB3 ARG 11 HB3 ARG 11 -1.496 -8.648 2.740 83 HG2 ARG 11 HG2 ARG 11 -3.706 -8.186 3.832 84 HG3 ARG 11 HG3 ARG 11 -4.430 -8.235 2.220 85 HD2 ARG 11 HD2 ARG 11 -4.644 -10.398 3.281 86 HD3 ARG 11 HD3 ARG 11 -3.531 -10.506 1.911 87 HE ARG 11 HE ARG 11 -2.576 -10.142 4.639 88 HH11 ARG 11 HH11 ARG 11 -2.685 -12.136 1.725 89 HH12 ARG 11 HH12 ARG 11 -1.379 -13.132 2.169 90 HH21 ARG 11 HH21 ARG 11 -0.723 -11.426 5.206 91 HH22 ARG 11 HH22 ARG 11 -0.170 -12.667 4.135 92 H ARG 12 H ARG 12 -0.418 -7.252 4.145 93 HA ARG 12 HA ARG 12 -1.959 -6.680 6.423 94 HB2 ARG 12 HB2 ARG 12 0.059 -6.882 7.730 95 HB3 ARG 12 HB3 ARG 12 -0.023 -8.161 6.521 96 HG2 ARG 12 HG2 ARG 12 1.478 -6.856 5.127 97 HG3 ARG 12 HG3 ARG 12 1.471 -5.667 6.445 98 HD2 ARG 12 HD2 ARG 12 2.382 -8.534 6.753 99 HD3 ARG 12 HD3 ARG 12 3.492 -7.228 6.370 100 HE ARG 12 HE ARG 12 1.890 -7.296 8.840 101 HH11 ARG 12 HH11 ARG 12 4.989 -6.725 7.146 102 HH12 ARG 12 HH12 ARG 12 5.874 -6.404 8.541 103 HH21 ARG 12 HH21 ARG 12 3.136 -6.898 10.790 104 HH22 ARG 12 HH22 ARG 12 4.794 -6.451 10.673 105 H ALA 13 H ALA 13 0.074 -4.577 4.577 106 HA ALA 13 HA ALA 13 0.064 -2.449 6.453 107 HB1 ALA 13 HB1 ALA 13 0.821 -1.056 4.600 108 HB2 ALA 13 HB2 ALA 13 0.413 -2.341 3.460 109 HB3 ALA 13 HB3 ALA 13 1.703 -2.582 4.639 110 H LEU 14 H LEU 14 -1.918 -3.165 3.602 111 HA LEU 14 HA LEU 14 -3.569 -0.891 3.804 112 HB2 LEU 14 HB2 LEU 14 -3.876 -3.521 2.400 113 HB3 LEU 14 HB3 LEU 14 -5.258 -2.465 2.527 114 HG LEU 14 HG LEU 14 -3.890 -0.706 1.323 115 HD11 LEU 14 HD11 LEU 14 -2.060 -3.012 0.768 116 HD12 LEU 14 HD12 LEU 14 -1.676 -1.569 1.707 117 HD13 LEU 14 HD13 LEU 14 -2.012 -1.434 -0.019 118 HD21 LEU 14 HD21 LEU 14 -4.492 -3.282 -0.093 119 HD22 LEU 14 HD22 LEU 14 -4.229 -1.731 -0.882 120 HD23 LEU 14 HD23 LEU 14 -5.609 -1.951 0.196 121 H VAL 15 H VAL 15 -3.978 -4.167 5.032 122 HA VAL 15 HA VAL 15 -6.551 -3.854 6.134 123 HB VAL 15 HB VAL 15 -4.300 -5.699 7.032 124 HG11 VAL 15 HG11 VAL 15 -5.955 -5.436 8.822 125 HG12 VAL 15 HG12 VAL 15 -6.051 -7.048 8.111 126 HG13 VAL 15 HG13 VAL 15 -7.250 -5.824 7.689 127 HG21 VAL 15 HG21 VAL 15 -5.006 -6.055 4.723 128 HG22 VAL 15 HG22 VAL 15 -6.684 -6.181 5.244 129 HG23 VAL 15 HG23 VAL 15 -5.512 -7.401 5.745 130 H GLU 16 H GLU 16 -3.391 -3.645 7.773 131 HA GLU 16 HA GLU 16 -4.500 -2.858 10.215 132 HB2 GLU 16 HB2 GLU 16 -1.709 -2.708 9.155 133 HB3 GLU 16 HB3 GLU 16 -2.133 -2.116 10.757 134 HG2 GLU 16 HG2 GLU 16 -2.574 -4.920 9.765 135 HG3 GLU 16 HG3 GLU 16 -1.253 -4.397 10.817 136 H SER 17 H SER 17 -3.486 -0.875 7.470 137 HA SER 17 HA SER 17 -3.662 1.488 9.066 138 HB2 SER 17 HB2 SER 17 -2.173 1.371 7.065 139 HB3 SER 17 HB3 SER 17 -3.615 1.300 6.045 140 HG SER 17 HG SER 17 -4.195 3.345 7.124 141 H ALA 18 H ALA 18 -5.904 -0.450 7.309 142 HA ALA 18 HA ALA 18 -7.925 1.556 7.121 143 HB1 ALA 18 HB1 ALA 18 -8.178 -1.465 7.093 144 HB2 ALA 18 HB2 ALA 18 -7.985 -0.440 5.672 145 HB3 ALA 18 HB3 ALA 18 -9.449 -0.329 6.646 146 H GLY 19 H GLY 19 -7.125 -1.062 9.334 147 HA2 GLY 19 HA2 GLY 19 -7.357 -1.142 11.643 148 HA3 GLY 19 HA3 GLY 19 -8.113 0.446 11.589 149 H GLU 20 H GLU 20 -10.268 0.426 10.547 150 HA GLU 20 HA GLU 20 -12.109 -1.093 11.996 151 HB2 GLU 20 HB2 GLU 20 -12.481 0.398 9.384 152 HB3 GLU 20 HB3 GLU 20 -13.775 -0.096 10.478 153 HG2 GLU 20 HG2 GLU 20 -12.957 1.360 12.200 154 HG3 GLU 20 HG3 GLU 20 -11.528 1.744 11.256 155 H THR 21 H THR 21 -12.320 -3.130 11.847 156 HA THR 21 HA THR 21 -11.205 -4.546 9.640 157 HB THR 21 HB THR 21 -12.475 -5.702 12.118 158 HG1 THR 21 HG1 THR 21 -10.502 -3.979 11.940 159 HG21 THR 21 HG21 THR 21 -11.888 -7.295 10.301 160 HG22 THR 21 HG22 THR 21 -10.850 -7.508 11.715 161 HG23 THR 21 HG23 THR 21 -10.241 -6.660 10.294 162 H ASP 22 H ASP 22 -12.957 -3.616 8.275 163 HA ASP 22 HA ASP 22 -15.370 -5.234 8.191 164 HB2 ASP 22 HB2 ASP 22 -15.538 -2.907 7.429 165 HB3 ASP 22 HB3 ASP 22 -14.248 -3.167 6.262 166 H GLY 23 H GLY 23 -12.869 -4.540 5.749 167 HA2 GLY 23 HA2 GLY 23 -11.253 -6.021 4.988 168 HA3 GLY 23 HA3 GLY 23 -12.113 -7.338 5.762 169 H THR 24 H THR 24 -11.252 -6.057 2.874 170 HA THR 24 HA THR 24 -13.395 -7.488 1.567 171 HB THR 24 HB THR 24 -12.345 -6.198 -0.498 172 HG1 THR 24 HG1 THR 24 -11.741 -4.014 0.558 173 HG21 THR 24 HG21 THR 24 -14.633 -5.855 0.343 174 HG22 THR 24 HG22 THR 24 -13.885 -4.318 -0.087 175 HG23 THR 24 HG23 THR 24 -14.009 -4.796 1.609 176 H ASP 25 H ASP 25 -12.161 -8.159 -0.838 177 HA ASP 25 HA ASP 25 -10.498 -10.300 0.131 178 HB2 ASP 25 HB2 ASP 25 -11.705 -9.760 -2.556 179 HB3 ASP 25 HB3 ASP 25 -10.514 -11.028 -2.318 180 H LEU 26 H LEU 26 -8.690 -9.270 0.756 181 HA LEU 26 HA LEU 26 -6.888 -8.352 -1.397 182 HB2 LEU 26 HB2 LEU 26 -7.086 -7.646 1.519 183 HB3 LEU 26 HB3 LEU 26 -5.579 -7.449 0.666 184 HG LEU 26 HG LEU 26 -6.647 -5.808 -0.835 185 HD11 LEU 26 HD11 LEU 26 -8.837 -4.910 -0.329 186 HD12 LEU 26 HD12 LEU 26 -9.056 -6.127 0.930 187 HD13 LEU 26 HD13 LEU 26 -8.937 -6.616 -0.761 188 HD21 LEU 26 HD21 LEU 26 -6.974 -5.245 2.097 189 HD22 LEU 26 HD22 LEU 26 -6.888 -4.039 0.814 190 HD23 LEU 26 HD23 LEU 26 -5.496 -5.069 1.149 191 H SER 27 H SER 27 -7.555 -11.079 -0.314 192 HA SER 27 HA SER 27 -5.640 -12.014 1.463 193 HB2 SER 27 HB2 SER 27 -7.120 -13.648 -0.569 194 HB3 SER 27 HB3 SER 27 -6.561 -14.138 1.034 195 HG SER 27 HG SER 27 -7.976 -12.250 1.722 196 H GLY 28 H GLY 28 -5.739 -13.040 -1.720 197 HA2 GLY 28 HA2 GLY 28 -2.789 -13.392 -1.591 198 HA3 GLY 28 HA3 GLY 28 -3.838 -14.508 -2.451 199 H ASP 29 H ASP 29 -5.426 -12.374 -3.644 200 HA ASP 29 HA ASP 29 -3.462 -11.004 -5.302 201 HB2 ASP 29 HB2 ASP 29 -3.911 -13.091 -6.501 202 HB3 ASP 29 HB3 ASP 29 -5.641 -12.789 -6.411 203 H PHE 30 H PHE 30 -4.029 -8.983 -5.337 204 HA PHE 30 HA PHE 30 -6.790 -8.210 -5.816 205 HB2 PHE 30 HB2 PHE 30 -7.022 -6.807 -3.850 206 HB3 PHE 30 HB3 PHE 30 -6.686 -8.458 -3.346 207 HD1 PHE 30 HD2 PHE 30 -4.317 -9.017 -2.617 208 HD2 PHE 30 HD1 PHE 30 -5.669 -5.015 -3.118 209 HE1 PHE 30 HE2 PHE 30 -2.448 -8.212 -1.243 210 HE2 PHE 30 HE1 PHE 30 -3.802 -4.216 -1.743 211 HZ PHE 30 HZ PHE 30 -2.255 -5.761 -0.745 212 H LEU 31 H LEU 31 -3.742 -7.909 -6.560 213 HA LEU 31 HA LEU 31 -3.137 -5.207 -6.323 214 HB2 LEU 31 HB2 LEU 31 -1.954 -7.320 -8.091 215 HB3 LEU 31 HB3 LEU 31 -1.384 -5.668 -8.101 216 HG LEU 31 HG LEU 31 -0.885 -5.915 -5.640 217 HD11 LEU 31 HD11 LEU 31 -2.301 -7.792 -5.104 218 HD12 LEU 31 HD12 LEU 31 -0.619 -8.155 -4.721 219 HD13 LEU 31 HD13 LEU 31 -1.360 -8.835 -6.169 220 HD21 LEU 31 HD21 LEU 31 0.564 -7.751 -7.529 221 HD22 LEU 31 HD22 LEU 31 1.185 -7.160 -5.985 222 HD23 LEU 31 HD23 LEU 31 0.863 -6.027 -7.298 223 H ASP 32 H ASP 32 -5.102 -6.790 -8.647 224 HA ASP 32 HA ASP 32 -5.114 -4.463 -10.416 225 HB2 ASP 32 HB2 ASP 32 -6.502 -7.144 -10.601 226 HB3 ASP 32 HB3 ASP 32 -6.667 -5.863 -11.791 227 H LEU 33 H LEU 33 -6.704 -5.464 -7.650 228 HA LEU 33 HA LEU 33 -9.316 -4.464 -8.367 229 HB2 LEU 33 HB2 LEU 33 -8.209 -5.344 -5.698 230 HB3 LEU 33 HB3 LEU 33 -9.888 -4.963 -6.029 231 HG LEU 33 HG LEU 33 -8.321 -7.288 -7.147 232 HD11 LEU 33 HD11 LEU 33 -8.931 -7.560 -4.828 233 HD12 LEU 33 HD12 LEU 33 -9.892 -8.638 -5.852 234 HD13 LEU 33 HD13 LEU 33 -10.605 -7.155 -5.207 235 HD21 LEU 33 HD21 LEU 33 -11.205 -6.515 -7.609 236 HD22 LEU 33 HD22 LEU 33 -10.434 -8.006 -8.159 237 HD23 LEU 33 HD23 LEU 33 -9.908 -6.451 -8.804 238 H ARG 34 H ARG 34 -9.840 -2.387 -8.167 239 HA ARG 34 HA ARG 34 -7.701 -0.617 -7.429 240 HB2 ARG 34 HB2 ARG 34 -10.491 0.139 -8.309 241 HB3 ARG 34 HB3 ARG 34 -9.082 1.194 -8.253 242 HG2 ARG 34 HG2 ARG 34 -8.004 -0.463 -9.872 243 HG3 ARG 34 HG3 ARG 34 -9.637 -1.096 -10.087 244 HD2 ARG 34 HD2 ARG 34 -8.732 1.727 -10.595 245 HD3 ARG 34 HD3 ARG 34 -9.048 0.508 -11.816 246 HE ARG 34 HE ARG 34 -11.400 0.577 -10.837 247 HH11 ARG 34 HH11 ARG 34 -9.227 3.382 -10.721 248 HH12 ARG 34 HH12 ARG 34 -10.408 4.527 -11.157 249 HH21 ARG 34 HH21 ARG 34 -13.077 2.221 -11.534 250 HH22 ARG 34 HH22 ARG 34 -12.604 3.845 -11.666 251 H PHE 35 H PHE 35 -7.625 0.850 -5.845 252 HA PHE 35 HA PHE 35 -8.464 0.122 -3.330 253 HB2 PHE 35 HB2 PHE 35 -7.656 2.842 -4.322 254 HB3 PHE 35 HB3 PHE 35 -7.901 2.455 -2.626 255 HD1 PHE 35 HD2 PHE 35 -6.389 0.840 -1.508 256 HD2 PHE 35 HD1 PHE 35 -5.699 2.215 -5.470 257 HE1 PHE 35 HE2 PHE 35 -4.078 0.025 -1.386 258 HE2 PHE 35 HE1 PHE 35 -3.385 1.394 -5.352 259 HZ PHE 35 HZ PHE 35 -2.529 0.448 -3.227 260 H GLU 36 H GLU 36 -9.931 2.630 -5.369 261 HA GLU 36 HA GLU 36 -11.933 3.400 -3.573 262 HB2 GLU 36 HB2 GLU 36 -13.180 4.239 -5.526 263 HB3 GLU 36 HB3 GLU 36 -11.490 4.718 -5.531 264 HG2 GLU 36 HG2 GLU 36 -10.956 3.198 -7.240 265 HG3 GLU 36 HG3 GLU 36 -12.501 2.356 -7.073 266 H ASP 37 H ASP 37 -11.729 0.620 -5.584 267 HA ASP 37 HA ASP 37 -14.549 -0.018 -5.498 268 HB2 ASP 37 HB2 ASP 37 -13.326 -0.572 -7.497 269 HB3 ASP 37 HB3 ASP 37 -12.144 -1.492 -6.578 270 H ILE 38 H ILE 38 -11.635 -0.839 -3.803 271 HA ILE 38 HA ILE 38 -13.054 -2.949 -2.397 272 HB ILE 38 HB ILE 38 -10.872 -3.507 -1.304 273 HG12 ILE 38 HG12 ILE 38 -9.748 -1.455 -3.242 274 HG13 ILE 38 HG13 ILE 38 -9.813 -1.273 -1.496 275 HG21 ILE 38 HG21 ILE 38 -10.911 -3.488 -4.315 276 HG22 ILE 38 HG22 ILE 38 -11.626 -4.707 -3.257 277 HG23 ILE 38 HG23 ILE 38 -9.871 -4.511 -3.320 278 HD11 ILE 38 HD11 ILE 38 -8.207 -3.329 -3.004 279 HD12 ILE 38 HD12 ILE 38 -8.268 -3.149 -1.250 280 HD13 ILE 38 HD13 ILE 38 -7.589 -1.860 -2.245 281 H GLY 39 H GLY 39 -13.364 0.022 -2.067 282 HA2 GLY 39 HA2 GLY 39 -14.396 1.164 -0.311 283 HA3 GLY 39 HA3 GLY 39 -13.960 -0.161 0.750 284 H TYR 40 H TYR 40 -11.331 1.111 -1.012 285 HA TYR 40 HA TYR 40 -10.318 2.141 1.473 286 HB2 TYR 40 HB2 TYR 40 -9.021 1.292 -1.059 287 HB3 TYR 40 HB3 TYR 40 -8.174 2.431 -0.023 288 HD1 TYR 40 HD1 TYR 40 -10.115 -0.703 0.298 289 HD2 TYR 40 HD2 TYR 40 -6.750 1.550 1.540 290 HE1 TYR 40 HE1 TYR 40 -9.397 -2.573 1.634 291 HE2 TYR 40 HE2 TYR 40 -5.977 -0.319 2.914 292 HH TYR 40 HH TYR 40 -7.315 -3.442 2.624 293 H ASP 41 H ASP 41 -10.224 4.034 2.058 294 HA ASP 41 HA ASP 41 -11.015 6.238 0.361 295 HB2 ASP 41 HB2 ASP 41 -11.624 5.921 2.890 296 HB3 ASP 41 HB3 ASP 41 -9.908 6.330 3.086 297 H SER 42 H SER 42 -9.708 8.117 0.362 298 HA SER 42 HA SER 42 -7.145 7.791 -0.724 299 HB2 SER 42 HB2 SER 42 -7.100 10.323 -0.398 300 HB3 SER 42 HB3 SER 42 -8.399 9.665 -1.409 301 H LEU 43 H LEU 43 -8.238 8.962 2.404 302 HA LEU 43 HA LEU 43 -5.712 9.546 3.513 303 HB2 LEU 43 HB2 LEU 43 -8.308 8.803 4.831 304 HB3 LEU 43 HB3 LEU 43 -6.888 9.321 5.717 305 HG LEU 43 HG LEU 43 -8.333 11.007 3.671 306 HD11 LEU 43 HD11 LEU 43 -8.371 11.078 6.683 307 HD12 LEU 43 HD12 LEU 43 -9.706 10.586 5.642 308 HD13 LEU 43 HD13 LEU 43 -9.129 12.253 5.615 309 HD21 LEU 43 HD21 LEU 43 -6.162 11.662 5.661 310 HD22 LEU 43 HD22 LEU 43 -6.973 12.808 4.590 311 HD23 LEU 43 HD23 LEU 43 -5.959 11.533 3.914 312 H ALA 44 H ALA 44 -7.728 6.676 3.736 313 HA ALA 44 HA ALA 44 -6.054 5.214 5.468 314 HB1 ALA 44 HB1 ALA 44 -7.331 3.246 4.773 315 HB2 ALA 44 HB2 ALA 44 -8.005 4.153 3.418 316 HB3 ALA 44 HB3 ALA 44 -8.400 4.615 5.074 317 H LEU 45 H LEU 45 -6.208 5.468 1.990 318 HA LEU 45 HA LEU 45 -4.375 3.450 1.292 319 HB2 LEU 45 HB2 LEU 45 -6.107 4.766 -0.076 320 HB3 LEU 45 HB3 LEU 45 -4.892 6.009 -0.195 321 HG LEU 45 HG LEU 45 -4.660 3.207 -1.292 322 HD11 LEU 45 HD11 LEU 45 -5.222 5.835 -2.630 323 HD12 LEU 45 HD12 LEU 45 -6.337 4.483 -2.365 324 HD13 LEU 45 HD13 LEU 45 -4.957 4.280 -3.443 325 HD21 LEU 45 HD21 LEU 45 -2.877 5.612 -1.721 326 HD22 LEU 45 HD22 LEU 45 -2.719 4.040 -2.511 327 HD23 LEU 45 HD23 LEU 45 -2.465 4.183 -0.769 328 H MET 46 H MET 46 -4.009 6.970 1.692 329 HA MET 46 HA MET 46 -1.239 7.078 1.164 330 HB2 MET 46 HB2 MET 46 -2.957 8.967 2.779 331 HB3 MET 46 HB3 MET 46 -1.285 9.285 2.345 332 HG2 MET 46 HG2 MET 46 -1.899 9.123 0.005 333 HG3 MET 46 HG3 MET 46 -3.593 8.926 0.468 334 HE1 MET 46 HE1 MET 46 -4.988 10.839 1.739 335 HE2 MET 46 HE2 MET 46 -4.308 12.403 2.188 336 HE3 MET 46 HE3 MET 46 -3.737 10.934 2.979 337 H GLU 47 H GLU 47 -3.041 6.679 4.125 338 HA GLU 47 HA GLU 47 -0.805 6.878 5.835 339 HB2 GLU 47 HB2 GLU 47 -3.185 7.278 6.363 340 HB3 GLU 47 HB3 GLU 47 -3.454 5.550 6.319 341 HG2 GLU 47 HG2 GLU 47 -1.998 5.177 8.183 342 HG3 GLU 47 HG3 GLU 47 -1.512 6.872 8.195 343 H THR 48 H THR 48 -2.265 4.259 4.084 344 HA THR 48 HA THR 48 -1.012 2.046 5.261 345 HB THR 48 HB THR 48 -1.838 2.632 2.409 346 HG1 THR 48 HG1 THR 48 -3.513 2.478 3.972 347 HG21 THR 48 HG21 THR 48 -0.977 -0.013 3.587 348 HG22 THR 48 HG22 THR 48 -0.118 0.923 2.357 349 HG23 THR 48 HG23 THR 48 -1.691 0.215 1.987 350 H ALA 49 H ALA 49 -0.095 3.963 2.424 351 HA ALA 49 HA ALA 49 2.445 2.897 2.010 352 HB1 ALA 49 HB1 ALA 49 1.250 4.246 0.358 353 HB2 ALA 49 HB2 ALA 49 2.862 4.889 0.670 354 HB3 ALA 49 HB3 ALA 49 1.447 5.671 1.379 355 H ALA 50 H ALA 50 1.348 5.564 4.027 356 HA ALA 50 HA ALA 50 3.805 6.608 4.806 357 HB1 ALA 50 HB1 ALA 50 1.257 6.512 6.421 358 HB2 ALA 50 HB2 ALA 50 1.663 7.727 5.209 359 HB3 ALA 50 HB3 ALA 50 2.619 7.601 6.684 360 H ARG 51 H ARG 51 1.934 3.943 6.241 361 HA ARG 51 HA ARG 51 3.752 3.534 8.359 362 HB2 ARG 51 HB2 ARG 51 1.737 1.647 7.144 363 HB3 ARG 51 HB3 ARG 51 2.783 1.176 8.475 364 HG2 ARG 51 HG2 ARG 51 1.869 3.118 9.760 365 HG3 ARG 51 HG3 ARG 51 0.698 3.340 8.460 366 HD2 ARG 51 HD2 ARG 51 -0.230 1.142 8.856 367 HD3 ARG 51 HD3 ARG 51 1.023 0.792 10.049 368 HE ARG 51 HE ARG 51 -0.313 3.144 10.767 369 HH11 ARG 51 HH11 ARG 51 -0.782 -0.392 10.934 370 HH12 ARG 51 HH12 ARG 51 -2.047 -0.254 12.095 371 HH21 ARG 51 HH21 ARG 51 -1.969 3.224 12.369 372 HH22 ARG 51 HH22 ARG 51 -2.741 1.812 12.894 373 H LEU 52 H LEU 52 3.638 2.194 5.118 374 HA LEU 52 HA LEU 52 5.857 0.463 5.544 375 HB2 LEU 52 HB2 LEU 52 4.874 1.576 2.887 376 HB3 LEU 52 HB3 LEU 52 5.963 0.211 3.115 377 HG LEU 52 HG LEU 52 3.090 0.247 3.988 378 HD11 LEU 52 HD11 LEU 52 2.772 -1.364 2.183 379 HD12 LEU 52 HD12 LEU 52 4.455 -1.163 1.703 380 HD13 LEU 52 HD13 LEU 52 3.330 0.189 1.554 381 HD21 LEU 52 HD21 LEU 52 3.471 -2.134 4.412 382 HD22 LEU 52 HD22 LEU 52 4.506 -1.123 5.423 383 HD23 LEU 52 HD23 LEU 52 5.178 -1.934 4.010 384 H GLU 53 H GLU 53 5.607 3.849 4.643 385 HA GLU 53 HA GLU 53 8.285 4.362 3.999 386 HB2 GLU 53 HB2 GLU 53 6.516 6.105 5.690 387 HB3 GLU 53 HB3 GLU 53 8.000 6.612 4.919 388 HG2 GLU 53 HG2 GLU 53 6.870 6.204 2.728 389 HG3 GLU 53 HG3 GLU 53 5.373 5.949 3.639 390 H SER 54 H SER 54 6.653 4.533 7.124 391 HA SER 54 HA SER 54 8.910 5.099 8.648 392 HB2 SER 54 HB2 SER 54 6.366 3.720 9.506 393 HB3 SER 54 HB3 SER 54 7.489 4.601 10.544 394 HG SER 54 HG SER 54 7.015 6.342 8.810 395 H ARG 55 H ARG 55 7.343 2.022 7.903 396 HA ARG 55 HA ARG 55 8.975 0.461 9.568 397 HB2 ARG 55 HB2 ARG 55 6.758 -0.252 8.736 398 HB3 ARG 55 HB3 ARG 55 7.433 -0.409 7.121 399 HG2 ARG 55 HG2 ARG 55 8.951 -2.153 7.942 400 HG3 ARG 55 HG3 ARG 55 8.236 -2.005 9.545 401 HD2 ARG 55 HD2 ARG 55 6.784 -2.806 7.024 402 HD3 ARG 55 HD3 ARG 55 7.315 -3.904 8.287 403 HE ARG 55 HE ARG 55 5.782 -2.257 9.669 404 HH11 ARG 55 HH11 ARG 55 5.075 -3.853 6.483 405 HH12 ARG 55 HH12 ARG 55 3.432 -3.931 6.801 406 HH21 ARG 55 HH21 ARG 55 3.560 -2.439 10.023 407 HH22 ARG 55 HH22 ARG 55 2.493 -3.117 8.864 408 H TYR 56 H TYR 56 9.268 1.153 6.050 409 HA TYR 56 HA TYR 56 11.725 -0.442 6.089 410 HB2 TYR 56 HB2 TYR 56 9.969 0.309 3.771 411 HB3 TYR 56 HB3 TYR 56 11.478 -0.586 3.617 412 HD1 TYR 56 HD2 TYR 56 11.694 -2.798 4.807 413 HD2 TYR 56 HD1 TYR 56 7.991 -0.766 4.367 414 HE1 TYR 56 HE2 TYR 56 10.503 -4.874 5.355 415 HE2 TYR 56 HE1 TYR 56 6.792 -2.820 4.913 416 HH TYR 56 HH TYR 56 7.031 -5.081 5.046 417 H GLY 57 H GLY 57 10.811 2.837 5.839 418 HA2 GLY 57 HA2 GLY 57 12.284 4.615 5.773 419 HA3 GLY 57 HA3 GLY 57 13.575 3.515 5.302 420 H VAL 58 H VAL 58 10.497 4.718 4.052 421 HA VAL 58 HA VAL 58 11.809 5.277 1.510 422 HB VAL 58 HB VAL 58 9.986 4.424 0.146 423 HG11 VAL 58 HG11 VAL 58 10.813 2.337 2.118 424 HG12 VAL 58 HG12 VAL 58 11.692 2.808 0.657 425 HG13 VAL 58 HG13 VAL 58 10.112 2.018 0.530 426 HG21 VAL 58 HG21 VAL 58 8.081 3.177 1.063 427 HG22 VAL 58 HG22 VAL 58 8.102 4.846 1.634 428 HG23 VAL 58 HG23 VAL 58 8.632 3.546 2.695 429 H SER 59 H SER 59 10.144 6.618 0.082 430 HA SER 59 HA SER 59 8.568 8.358 1.814 431 HB2 SER 59 HB2 SER 59 10.537 9.222 -0.315 432 HB3 SER 59 HB3 SER 59 9.401 10.296 0.504 433 HG SER 59 HG SER 59 10.396 9.468 2.490 434 H ILE 60 H ILE 60 6.577 8.142 1.141 435 HA ILE 60 HA ILE 60 6.045 7.843 -1.740 436 HB ILE 60 HB ILE 60 4.169 7.209 0.566 437 HG12 ILE 60 HG12 ILE 60 6.032 5.614 0.603 438 HG13 ILE 60 HG13 ILE 60 4.558 4.815 0.071 439 HG21 ILE 60 HG21 ILE 60 3.946 6.604 -2.380 440 HG22 ILE 60 HG22 ILE 60 3.008 7.795 -1.479 441 HG23 ILE 60 HG23 ILE 60 2.807 6.077 -1.140 442 HD11 ILE 60 HD11 ILE 60 6.822 5.740 -1.696 443 HD12 ILE 60 HD12 ILE 60 5.347 4.950 -2.249 444 HD13 ILE 60 HD13 ILE 60 6.480 4.078 -1.216 445 HA PRO 61 HA PRO 61 4.713 12.135 -1.001 446 HB2 PRO 61 HB2 PRO 61 4.303 12.046 -3.929 447 HB3 PRO 61 HB3 PRO 61 5.277 13.167 -2.972 448 HG2 PRO 61 HG2 PRO 61 6.415 11.303 -4.522 449 HG3 PRO 61 HG3 PRO 61 7.116 11.763 -2.957 450 HD2 PRO 61 HD2 PRO 61 5.484 9.362 -3.676 451 HD3 PRO 61 HD3 PRO 61 6.920 9.480 -2.632 452 H ASP 62 H ASP 62 2.686 12.814 -0.659 453 HA ASP 62 HA ASP 62 0.480 11.150 -0.822 454 HB2 ASP 62 HB2 ASP 62 -0.922 13.063 -0.220 455 HB3 ASP 62 HB3 ASP 62 0.556 13.028 0.728 456 H ASP 63 H ASP 63 1.621 13.343 -3.268 457 HA ASP 63 HA ASP 63 -0.769 13.309 -4.849 458 HB2 ASP 63 HB2 ASP 63 0.894 15.054 -5.233 459 HB3 ASP 63 HB3 ASP 63 2.102 13.850 -5.662 460 H VAL 64 H VAL 64 2.084 11.366 -4.667 461 HA VAL 64 HA VAL 64 1.470 9.664 -6.926 462 HB VAL 64 HB VAL 64 3.411 9.262 -4.646 463 HG11 VAL 64 HG11 VAL 64 2.926 7.203 -5.880 464 HG12 VAL 64 HG12 VAL 64 4.574 7.741 -6.206 465 HG13 VAL 64 HG13 VAL 64 3.304 8.014 -7.400 466 HG21 VAL 64 HG21 VAL 64 3.909 11.333 -5.808 467 HG22 VAL 64 HG22 VAL 64 3.884 10.495 -7.360 468 HG23 VAL 64 HG23 VAL 64 5.141 10.126 -6.180 469 H ALA 65 H ALA 65 1.256 9.461 -3.422 470 HA ALA 65 HA ALA 65 0.189 6.889 -3.220 471 HB1 ALA 65 HB1 ALA 65 0.983 8.154 -1.287 472 HB2 ALA 65 HB2 ALA 65 -0.677 7.597 -1.047 473 HB3 ALA 65 HB3 ALA 65 -0.359 9.285 -1.486 474 H GLY 66 H GLY 66 -1.351 9.941 -4.009 475 HA2 GLY 66 HA2 GLY 66 -3.976 8.679 -4.077 476 HA3 GLY 66 HA3 GLY 66 -3.622 10.373 -4.388 477 H ARG 67 H ARG 67 -1.421 8.654 -6.058 478 HA ARG 67 HA ARG 67 -2.901 8.958 -8.573 479 HB2 ARG 67 HB2 ARG 67 -0.695 10.122 -8.234 480 HB3 ARG 67 HB3 ARG 67 0.062 8.542 -8.146 481 HG2 ARG 67 HG2 ARG 67 -0.661 8.067 -10.418 482 HG3 ARG 67 HG3 ARG 67 -1.432 9.650 -10.498 483 HD2 ARG 67 HD2 ARG 67 0.837 10.632 -9.984 484 HD3 ARG 67 HD3 ARG 67 1.495 9.019 -10.261 485 HE ARG 67 HE ARG 67 -0.197 10.094 -12.328 486 HH11 ARG 67 HH11 ARG 67 3.128 9.420 -11.272 487 HH12 ARG 67 HH12 ARG 67 3.836 9.796 -12.769 488 HH21 ARG 67 HH21 ARG 67 0.795 10.675 -14.395 489 HH22 ARG 67 HH22 ARG 67 2.490 10.590 -14.566 490 H VAL 68 H VAL 68 -1.391 6.662 -6.478 491 HA VAL 68 HA VAL 68 -1.322 4.576 -8.411 492 HB VAL 68 HB VAL 68 -0.830 3.075 -6.402 493 HG11 VAL 68 HG11 VAL 68 0.896 5.518 -6.806 494 HG12 VAL 68 HG12 VAL 68 0.931 4.047 -7.779 495 HG13 VAL 68 HG13 VAL 68 1.425 3.998 -6.085 496 HG21 VAL 68 HG21 VAL 68 -0.738 5.726 -4.969 497 HG22 VAL 68 HG22 VAL 68 -0.231 4.172 -4.298 498 HG23 VAL 68 HG23 VAL 68 -1.935 4.460 -4.681 499 H ASP 69 H ASP 69 -2.959 3.784 -9.202 500 HA ASP 69 HA ASP 69 -5.563 4.038 -7.977 501 HB2 ASP 69 HB2 ASP 69 -5.348 4.754 -10.228 502 HB3 ASP 69 HB3 ASP 69 -4.550 3.264 -10.692 503 H THR 70 H THR 70 -3.326 1.572 -8.974 504 HA THR 70 HA THR 70 -5.082 -0.383 -7.707 505 HB THR 70 HB THR 70 -3.939 -2.096 -9.187 506 HG1 THR 70 HG1 THR 70 -2.857 0.303 -10.264 507 HG21 THR 70 HG21 THR 70 -5.508 0.095 -10.550 508 HG22 THR 70 HG22 THR 70 -6.190 -1.283 -9.685 509 HG23 THR 70 HG23 THR 70 -5.284 -1.538 -11.182 510 HA PRO 71 HA PRO 71 -2.153 -1.078 -4.491 511 HB2 PRO 71 HB2 PRO 71 -2.610 -3.967 -5.112 512 HB3 PRO 71 HB3 PRO 71 -2.648 -3.135 -3.550 513 HG2 PRO 71 HG2 PRO 71 -4.918 -3.749 -4.716 514 HG3 PRO 71 HG3 PRO 71 -4.719 -2.147 -3.979 515 HD2 PRO 71 HD2 PRO 71 -4.645 -2.924 -6.864 516 HD3 PRO 71 HD3 PRO 71 -5.354 -1.488 -6.097 517 H ARG 72 H ARG 72 -1.759 -2.972 -7.424 518 HA ARG 72 HA ARG 72 0.846 -3.891 -7.128 519 HB2 ARG 72 HB2 ARG 72 -0.583 -4.579 -8.979 520 HB3 ARG 72 HB3 ARG 72 -0.551 -2.954 -9.643 521 HG2 ARG 72 HG2 ARG 72 1.767 -3.169 -10.218 522 HG3 ARG 72 HG3 ARG 72 1.889 -4.705 -9.353 523 HD2 ARG 72 HD2 ARG 72 0.128 -4.196 -11.755 524 HD3 ARG 72 HD3 ARG 72 1.694 -5.014 -11.797 525 HE ARG 72 HE ARG 72 0.736 -6.665 -10.295 526 HH11 ARG 72 HH11 ARG 72 -1.362 -4.856 -12.534 527 HH12 ARG 72 HH12 ARG 72 -2.694 -5.908 -12.405 528 HH21 ARG 72 HH21 ARG 72 -1.187 -8.208 -10.144 529 HH22 ARG 72 HH22 ARG 72 -2.579 -7.809 -11.046 530 H GLU 73 H GLU 73 -0.293 -0.783 -8.318 531 HA GLU 73 HA GLU 73 2.214 0.282 -9.010 532 HB2 GLU 73 HB2 GLU 73 -0.336 1.703 -8.259 533 HB3 GLU 73 HB3 GLU 73 1.031 2.414 -9.106 534 HG2 GLU 73 HG2 GLU 73 0.677 0.966 -10.989 535 HG3 GLU 73 HG3 GLU 73 -0.605 0.114 -10.134 536 H LEU 74 H LEU 74 0.382 0.267 -6.012 537 HA LEU 74 HA LEU 74 2.049 2.167 -4.647 538 HB2 LEU 74 HB2 LEU 74 -0.361 1.458 -4.034 539 HB3 LEU 74 HB3 LEU 74 0.343 0.007 -3.367 540 HG LEU 74 HG LEU 74 0.902 2.817 -2.355 541 HD11 LEU 74 HD11 LEU 74 -0.897 0.681 -1.242 542 HD12 LEU 74 HD12 LEU 74 -1.401 2.204 -1.974 543 HD13 LEU 74 HD13 LEU 74 -0.506 2.211 -0.455 544 HD21 LEU 74 HD21 LEU 74 1.564 0.136 -1.115 545 HD22 LEU 74 HD22 LEU 74 1.863 1.717 -0.388 546 HD23 LEU 74 HD23 LEU 74 2.721 1.242 -1.857 547 H LEU 75 H LEU 75 1.827 -1.357 -4.732 548 HA LEU 75 HA LEU 75 3.950 -1.962 -3.024 549 HB2 LEU 75 HB2 LEU 75 2.235 -3.547 -3.903 550 HB3 LEU 75 HB3 LEU 75 3.048 -3.513 -5.452 551 HG LEU 75 HG LEU 75 5.043 -4.513 -4.428 552 HD11 LEU 75 HD11 LEU 75 3.343 -4.628 -1.938 553 HD12 LEU 75 HD12 LEU 75 4.769 -3.619 -2.177 554 HD13 LEU 75 HD13 LEU 75 4.929 -5.373 -2.143 555 HD21 LEU 75 HD21 LEU 75 2.482 -6.011 -3.883 556 HD22 LEU 75 HD22 LEU 75 4.087 -6.729 -4.040 557 HD23 LEU 75 HD23 LEU 75 3.331 -5.945 -5.428 558 H ASP 76 H ASP 76 3.853 -1.342 -6.465 559 HA ASP 76 HA ASP 76 6.490 -1.765 -7.214 560 HB2 ASP 76 HB2 ASP 76 4.803 -1.377 -8.869 561 HB3 ASP 76 HB3 ASP 76 4.458 0.220 -8.220 562 H LEU 77 H LEU 77 5.009 1.107 -5.776 563 HA LEU 77 HA LEU 77 7.193 2.878 -6.014 564 HB2 LEU 77 HB2 LEU 77 5.120 2.730 -3.829 565 HB3 LEU 77 HB3 LEU 77 6.188 4.079 -4.113 566 HG LEU 77 HG LEU 77 4.037 3.134 -5.997 567 HD11 LEU 77 HD11 LEU 77 3.139 4.080 -3.940 568 HD12 LEU 77 HD12 LEU 77 2.878 5.172 -5.298 569 HD13 LEU 77 HD13 LEU 77 4.163 5.500 -4.134 570 HD21 LEU 77 HD21 LEU 77 5.816 5.572 -6.061 571 HD22 LEU 77 HD22 LEU 77 4.493 5.230 -7.175 572 HD23 LEU 77 HD23 LEU 77 5.917 4.191 -7.152 573 H ILE 78 H ILE 78 6.180 0.710 -3.461 574 HA ILE 78 HA ILE 78 8.222 1.249 -1.612 575 HB ILE 78 HB ILE 78 6.722 -1.360 -2.004 576 HG12 ILE 78 HG12 ILE 78 5.146 0.488 -1.749 577 HG13 ILE 78 HG13 ILE 78 5.150 -0.503 -0.298 578 HG21 ILE 78 HG21 ILE 78 7.183 -1.739 0.377 579 HG22 ILE 78 HG22 ILE 78 8.123 -0.250 0.429 580 HG23 ILE 78 HG23 ILE 78 8.669 -1.602 -0.559 581 HD11 ILE 78 HD11 ILE 78 6.540 2.152 -0.632 582 HD12 ILE 78 HD12 ILE 78 6.541 1.165 0.831 583 HD13 ILE 78 HD13 ILE 78 5.033 1.864 0.240 584 H ASN 79 H ASN 79 7.905 -1.316 -4.058 585 HA ASN 79 HA ASN 79 10.418 -2.528 -3.558 586 HB2 ASN 79 HB2 ASN 79 8.663 -2.583 -6.024 587 HB3 ASN 79 HB3 ASN 79 10.211 -3.406 -5.980 588 HD21 ASN 79 HD21 ASN 79 7.928 -3.249 -3.269 589 HD22 ASN 79 HD22 ASN 79 7.540 -4.943 -3.302 590 H GLY 80 H GLY 80 9.453 0.017 -5.803 591 HA2 GLY 80 HA2 GLY 80 11.923 0.282 -7.114 592 HA3 GLY 80 HA3 GLY 80 10.633 1.471 -7.065 593 H ALA 81 H ALA 81 10.627 1.856 -4.239 594 HA ALA 81 HA ALA 81 12.810 3.673 -4.003 595 HB1 ALA 81 HB1 ALA 81 11.942 4.133 -1.766 596 HB2 ALA 81 HB2 ALA 81 10.879 2.732 -1.877 597 HB3 ALA 81 HB3 ALA 81 10.636 4.113 -2.949 598 H LEU 82 H LEU 82 12.056 0.528 -2.615 599 HA LEU 82 HA LEU 82 14.410 0.446 -1.009 600 HB2 LEU 82 HB2 LEU 82 12.447 -1.710 -1.761 601 HB3 LEU 82 HB3 LEU 82 13.793 -1.958 -0.663 602 HG LEU 82 HG LEU 82 11.543 0.004 -0.209 603 HD11 LEU 82 HD11 LEU 82 12.069 -2.687 1.031 604 HD12 LEU 82 HD12 LEU 82 10.757 -2.286 -0.078 605 HD13 LEU 82 HD13 LEU 82 10.816 -1.549 1.524 606 HD21 LEU 82 HD21 LEU 82 13.794 -0.897 1.594 607 HD22 LEU 82 HD22 LEU 82 12.467 0.164 2.052 608 HD23 LEU 82 HD23 LEU 82 13.635 0.691 0.841 609 H ALA 83 H ALA 83 13.938 0.029 -4.264 610 HA ALA 83 HA ALA 83 15.928 -1.849 -4.913 611 HB1 ALA 83 HB1 ALA 83 15.037 0.554 -6.516 612 HB2 ALA 83 HB2 ALA 83 14.280 -1.041 -6.549 613 HB3 ALA 83 HB3 ALA 83 15.928 -0.835 -7.138 614 H GLU 84 H GLU 84 16.113 1.353 -3.714 615 HA GLU 84 HA GLU 84 18.955 1.566 -4.363 616 HB2 GLU 84 HB2 GLU 84 16.916 3.543 -3.384 617 HB3 GLU 84 HB3 GLU 84 18.638 3.883 -3.311 618 HG2 GLU 84 HG2 GLU 84 17.136 3.180 -5.817 619 HG3 GLU 84 HG3 GLU 84 17.544 4.821 -5.302 620 H ALA 85 H ALA 85 17.119 0.267 -1.995 621 HA ALA 85 HA ALA 85 18.754 1.241 0.209 622 HB1 ALA 85 HB1 ALA 85 17.125 0.169 1.669 623 HB2 ALA 85 HB2 ALA 85 16.283 -0.486 0.262 624 HB3 ALA 85 HB3 ALA 85 16.327 1.255 0.531 625 H ALA 86 H ALA 86 19.992 -0.075 1.433 626 HA ALA 86 HA ALA 86 20.482 -2.743 0.327 627 HB1 ALA 86 HB1 ALA 86 22.320 -1.200 -0.176 628 HB2 ALA 86 HB2 ALA 86 22.831 -2.465 0.943 629 HB3 ALA 86 HB3 ALA 86 22.488 -0.844 1.545 630 H28 SXA 87 H28A SXA 87 -8.623 14.235 -0.529 631 H28A SXA 87 H28B SXA 87 -9.041 14.353 1.178 632 H30 SXA 87 H30A SXA 87 -6.400 13.190 2.162 633 H30A SXA 87 H30B SXA 87 -7.256 14.562 2.867 634 H30B SXA 87 H30C SXA 87 -5.570 14.731 2.380 635 H31 SXA 87 H31A SXA 87 -5.775 13.199 -0.246 636 H31A SXA 87 H31B SXA 87 -4.971 14.761 -0.086 637 H31B SXA 87 H31C SXA 87 -6.257 14.549 -1.275 638 H32 SXA 87 H32A SXA 87 -7.844 16.587 1.460 639 HO33 SXA 87 H33A SXA 87 -6.958 16.874 -1.146 640 HN36 SXA 87 H36A SXA 87 -5.654 16.491 2.744 641 H37 SXA 87 H37A SXA 87 -3.420 17.915 1.443 642 H37A SXA 87 H37B SXA 87 -4.215 18.641 2.827 643 H38 SXA 87 H38A SXA 87 -2.281 17.562 3.626 644 H38A SXA 87 H38B SXA 87 -3.673 16.606 4.175 645 HN41 SXA 87 H41A SXA 87 -1.837 15.134 4.516 646 H42 SXA 87 H42A SXA 87 -1.864 13.003 2.746 647 H42A SXA 87 H42B SXA 87 -0.335 13.867 2.495 648 H43 SXA 87 H43A SXA 87 -1.368 12.892 5.162 649 H43A SXA 87 H43B SXA 87 0.304 13.403 4.807 650 H2 SXA 87 H2C SXA 87 1.750 9.450 2.819 651 H2A SXA 87 H2A SXA 87 2.283 10.435 1.452 652 H2B SXA 87 H2B SXA 87 0.603 9.898 1.550 Start of MODEL 7 1 H1 MET 1 H1 MET 1 19.073 -10.307 -3.135 2 H2 MET 1 H2 MET 1 18.683 -10.769 -1.574 3 H3 MET 1 H3 MET 1 20.215 -11.144 -2.182 4 HA MET 1 HA MET 1 20.394 -9.334 -0.659 5 HB2 MET 1 HB2 MET 1 20.521 -8.324 -3.515 6 HB3 MET 1 HB3 MET 1 21.213 -7.498 -2.135 7 HG2 MET 1 HG2 MET 1 22.754 -9.341 -1.789 8 HG3 MET 1 HG3 MET 1 22.034 -10.208 -3.146 9 HE1 MET 1 HE1 MET 1 21.487 -7.810 -5.186 10 HE2 MET 1 HE2 MET 1 22.150 -9.370 -5.666 11 HE3 MET 1 HE3 MET 1 22.950 -7.880 -6.167 12 H ALA 2 H ALA 2 18.255 -8.419 -3.342 13 HA ALA 2 HA ALA 2 17.223 -6.179 -1.903 14 HB1 ALA 2 HB1 ALA 2 15.815 -5.897 -3.868 15 HB2 ALA 2 HB2 ALA 2 16.343 -7.464 -4.481 16 HB3 ALA 2 HB3 ALA 2 17.501 -6.142 -4.327 17 H THR 3 H THR 3 15.561 -6.208 -0.555 18 HA THR 3 HA THR 3 13.847 -8.576 -0.517 19 HB THR 3 HB THR 3 13.092 -7.581 1.692 20 HG1 THR 3 HG1 THR 3 14.022 -5.443 1.014 21 HG21 THR 3 HG21 THR 3 16.039 -8.198 1.426 22 HG22 THR 3 HG22 THR 3 14.746 -9.384 1.606 23 HG23 THR 3 HG23 THR 3 15.109 -8.263 2.923 24 H LEU 4 H LEU 4 12.235 -8.264 -1.908 25 HA LEU 4 HA LEU 4 11.060 -5.606 -2.152 26 HB2 LEU 4 HB2 LEU 4 10.680 -8.102 -3.806 27 HB3 LEU 4 HB3 LEU 4 9.903 -6.563 -4.117 28 HG LEU 4 HG LEU 4 12.873 -7.097 -4.273 29 HD11 LEU 4 HD11 LEU 4 11.637 -8.146 -6.080 30 HD12 LEU 4 HD12 LEU 4 12.571 -6.770 -6.672 31 HD13 LEU 4 HD13 LEU 4 10.830 -6.617 -6.431 32 HD21 LEU 4 HD21 LEU 4 12.392 -4.810 -3.563 33 HD22 LEU 4 HD22 LEU 4 11.287 -4.610 -4.920 34 HD23 LEU 4 HD23 LEU 4 13.012 -4.838 -5.215 35 H LEU 5 H LEU 5 8.934 -5.255 -1.652 36 HA LEU 5 HA LEU 5 7.805 -7.117 0.223 37 HB2 LEU 5 HB2 LEU 5 6.541 -4.631 -0.920 38 HB3 LEU 5 HB3 LEU 5 5.937 -5.565 0.424 39 HG LEU 5 HG LEU 5 8.284 -3.717 0.317 40 HD11 LEU 5 HD11 LEU 5 6.128 -2.772 0.804 41 HD12 LEU 5 HD12 LEU 5 7.146 -2.740 2.244 42 HD13 LEU 5 HD13 LEU 5 5.874 -3.949 2.090 43 HD21 LEU 5 HD21 LEU 5 8.880 -4.435 2.585 44 HD22 LEU 5 HD22 LEU 5 9.087 -5.746 1.420 45 HD23 LEU 5 HD23 LEU 5 7.683 -5.727 2.486 46 H THR 6 H THR 6 6.097 -8.434 -0.082 47 HA THR 6 HA THR 6 5.348 -8.719 -2.875 48 HB THR 6 HB THR 6 4.666 -11.036 -2.291 49 HG1 THR 6 HG1 THR 6 6.001 -10.833 0.213 50 HG21 THR 6 HG21 THR 6 6.934 -11.951 -1.975 51 HG22 THR 6 HG22 THR 6 7.509 -10.344 -1.518 52 HG23 THR 6 HG23 THR 6 6.920 -10.638 -3.152 53 H THR 7 H THR 7 3.082 -10.127 -2.705 54 HA THR 7 HA THR 7 1.001 -8.390 -2.460 55 HB THR 7 HB THR 7 0.998 -11.385 -2.026 56 HG1 THR 7 HG1 THR 7 0.395 -10.989 -4.482 57 HG21 THR 7 HG21 THR 7 -1.161 -10.315 -1.511 58 HG22 THR 7 HG22 THR 7 -1.272 -11.274 -2.987 59 HG23 THR 7 HG23 THR 7 -1.141 -9.517 -3.083 60 H ASP 8 H ASP 8 2.090 -10.807 -0.062 61 HA ASP 8 HA ASP 8 0.103 -10.246 1.851 62 HB2 ASP 8 HB2 ASP 8 1.407 -12.347 1.742 63 HB3 ASP 8 HB3 ASP 8 2.802 -11.463 2.359 64 H ASP 9 H ASP 9 3.317 -8.844 1.419 65 HA ASP 9 HA ASP 9 3.465 -7.508 3.947 66 HB2 ASP 9 HB2 ASP 9 4.682 -6.721 1.292 67 HB3 ASP 9 HB3 ASP 9 4.984 -5.843 2.776 68 H LEU 10 H LEU 10 2.372 -6.570 0.792 69 HA LEU 10 HA LEU 10 1.525 -3.962 1.398 70 HB2 LEU 10 HB2 LEU 10 1.951 -4.953 -0.866 71 HB3 LEU 10 HB3 LEU 10 0.471 -5.865 -0.689 72 HG LEU 10 HG LEU 10 -0.785 -3.724 -0.588 73 HD11 LEU 10 HD11 LEU 10 1.011 -2.275 0.202 74 HD12 LEU 10 HD12 LEU 10 0.336 -1.674 -1.310 75 HD13 LEU 10 HD13 LEU 10 1.884 -2.515 -1.311 76 HD21 LEU 10 HD21 LEU 10 -0.583 -4.986 -2.653 77 HD22 LEU 10 HD22 LEU 10 0.936 -4.165 -3.020 78 HD23 LEU 10 HD23 LEU 10 -0.572 -3.252 -2.978 79 H ARG 11 H ARG 11 -0.176 -7.040 1.159 80 HA ARG 11 HA ARG 11 -2.778 -6.463 1.766 81 HB2 ARG 11 HB2 ARG 11 -1.990 -8.674 1.190 82 HB3 ARG 11 HB3 ARG 11 -1.093 -8.780 2.692 83 HG2 ARG 11 HG2 ARG 11 -3.298 -8.665 3.890 84 HG3 ARG 11 HG3 ARG 11 -4.068 -8.844 2.303 85 HD2 ARG 11 HD2 ARG 11 -2.826 -10.899 1.925 86 HD3 ARG 11 HD3 ARG 11 -2.058 -10.731 3.498 87 HE ARG 11 HE ARG 11 -4.959 -10.883 3.415 88 HH11 ARG 11 HH11 ARG 11 -1.866 -12.496 4.169 89 HH12 ARG 11 HH12 ARG 11 -2.592 -13.833 4.915 90 HH21 ARG 11 HH21 ARG 11 -5.941 -12.715 4.450 91 HH22 ARG 11 HH22 ARG 11 -4.950 -13.984 5.050 92 H ARG 12 H ARG 12 -0.330 -7.451 4.159 93 HA ARG 12 HA ARG 12 -1.913 -7.044 6.413 94 HB2 ARG 12 HB2 ARG 12 1.094 -6.989 6.167 95 HB3 ARG 12 HB3 ARG 12 0.231 -7.032 7.704 96 HG2 ARG 12 HG2 ARG 12 -0.775 -9.191 6.976 97 HG3 ARG 12 HG3 ARG 12 0.261 -9.136 5.550 98 HD2 ARG 12 HD2 ARG 12 2.231 -9.017 7.059 99 HD3 ARG 12 HD3 ARG 12 1.145 -9.227 8.431 100 HE ARG 12 HE ARG 12 1.420 -11.197 6.268 101 HH11 ARG 12 HH11 ARG 12 1.100 -10.474 9.742 102 HH12 ARG 12 HH12 ARG 12 1.302 -12.077 10.263 103 HH21 ARG 12 HH21 ARG 12 1.649 -13.447 6.996 104 HH22 ARG 12 HH22 ARG 12 1.724 -13.796 8.661 105 H ALA 13 H ALA 13 0.185 -4.820 4.705 106 HA ALA 13 HA ALA 13 0.128 -2.715 6.590 107 HB1 ALA 13 HB1 ALA 13 0.961 -1.336 4.786 108 HB2 ALA 13 HB2 ALA 13 0.542 -2.592 3.618 109 HB3 ALA 13 HB3 ALA 13 1.795 -2.888 4.822 110 H LEU 14 H LEU 14 -1.863 -3.435 3.751 111 HA LEU 14 HA LEU 14 -3.437 -1.112 4.027 112 HB2 LEU 14 HB2 LEU 14 -3.812 -3.658 2.484 113 HB3 LEU 14 HB3 LEU 14 -5.187 -2.604 2.702 114 HG LEU 14 HG LEU 14 -3.811 -0.765 1.618 115 HD11 LEU 14 HD11 LEU 14 -2.024 -3.036 0.859 116 HD12 LEU 14 HD12 LEU 14 -1.619 -1.667 1.895 117 HD13 LEU 14 HD13 LEU 14 -1.976 -1.407 0.187 118 HD21 LEU 14 HD21 LEU 14 -4.207 -1.554 -0.654 119 HD22 LEU 14 HD22 LEU 14 -5.563 -1.907 0.416 120 HD23 LEU 14 HD23 LEU 14 -4.443 -3.191 -0.038 121 H VAL 15 H VAL 15 -3.866 -4.413 5.164 122 HA VAL 15 HA VAL 15 -6.338 -4.181 6.424 123 HB VAL 15 HB VAL 15 -3.947 -5.812 7.362 124 HG11 VAL 15 HG11 VAL 15 -5.609 -5.572 9.136 125 HG12 VAL 15 HG12 VAL 15 -5.597 -7.224 8.520 126 HG13 VAL 15 HG13 VAL 15 -6.879 -6.110 8.037 127 HG21 VAL 15 HG21 VAL 15 -6.287 -6.582 5.615 128 HG22 VAL 15 HG22 VAL 15 -5.030 -7.676 6.192 129 HG23 VAL 15 HG23 VAL 15 -4.618 -6.366 5.086 130 H GLU 16 H GLU 16 -3.110 -3.695 7.891 131 HA GLU 16 HA GLU 16 -4.152 -2.916 10.393 132 HB2 GLU 16 HB2 GLU 16 -1.885 -2.262 10.993 133 HB3 GLU 16 HB3 GLU 16 -1.889 -3.816 10.177 134 HG2 GLU 16 HG2 GLU 16 -1.159 -2.721 8.114 135 HG3 GLU 16 HG3 GLU 16 -1.138 -1.170 8.949 136 H SER 17 H SER 17 -3.742 -1.119 7.505 137 HA SER 17 HA SER 17 -3.643 1.458 8.753 138 HB2 SER 17 HB2 SER 17 -2.753 1.084 6.480 139 HB3 SER 17 HB3 SER 17 -4.371 0.675 5.919 140 HG SER 17 HG SER 17 -4.114 2.794 5.428 141 H ALA 18 H ALA 18 -6.102 -0.603 7.301 142 HA ALA 18 HA ALA 18 -8.294 1.161 7.839 143 HB1 ALA 18 HB1 ALA 18 -8.246 -1.818 7.277 144 HB2 ALA 18 HB2 ALA 18 -8.423 -0.552 6.064 145 HB3 ALA 18 HB3 ALA 18 -9.685 -0.806 7.266 146 H GLY 19 H GLY 19 -6.401 -0.963 9.562 147 HA2 GLY 19 HA2 GLY 19 -6.372 -0.975 11.955 148 HA3 GLY 19 HA3 GLY 19 -8.128 -0.772 11.935 149 H GLU 20 H GLU 20 -9.422 -2.480 11.699 150 HA GLU 20 HA GLU 20 -8.189 -5.079 11.150 151 HB2 GLU 20 HB2 GLU 20 -10.241 -4.472 13.294 152 HB3 GLU 20 HB3 GLU 20 -9.718 -6.084 12.831 153 HG2 GLU 20 HG2 GLU 20 -7.425 -5.504 13.538 154 HG3 GLU 20 HG3 GLU 20 -8.025 -3.936 14.081 155 H THR 21 H THR 21 -9.928 -2.868 9.870 156 HA THR 21 HA THR 21 -12.503 -3.862 9.378 157 HB THR 21 HB THR 21 -10.851 -1.942 7.724 158 HG1 THR 21 HG1 THR 21 -12.471 -1.698 10.028 159 HG21 THR 21 HG21 THR 21 -13.855 -2.288 7.965 160 HG22 THR 21 HG22 THR 21 -12.884 -2.821 6.600 161 HG23 THR 21 HG23 THR 21 -13.025 -1.095 6.959 162 H ASP 22 H ASP 22 -12.483 -5.901 8.682 163 HA ASP 22 HA ASP 22 -11.212 -6.491 6.100 164 HB2 ASP 22 HB2 ASP 22 -10.780 -7.938 8.166 165 HB3 ASP 22 HB3 ASP 22 -12.462 -8.431 8.089 166 H GLY 23 H GLY 23 -13.102 -8.573 5.458 167 HA2 GLY 23 HA2 GLY 23 -15.304 -8.897 4.720 168 HA3 GLY 23 HA3 GLY 23 -15.732 -7.336 5.419 169 H THR 24 H THR 24 -13.209 -8.189 3.177 170 HA THR 24 HA THR 24 -14.310 -7.078 0.868 171 HB THR 24 HB THR 24 -13.953 -4.918 2.031 172 HG1 THR 24 HG1 THR 24 -11.956 -4.283 0.585 173 HG21 THR 24 HG21 THR 24 -12.252 -5.580 3.666 174 HG22 THR 24 HG22 THR 24 -11.709 -4.174 2.752 175 HG23 THR 24 HG23 THR 24 -11.066 -5.773 2.375 176 H ASP 25 H ASP 25 -13.007 -7.841 -0.815 177 HA ASP 25 HA ASP 25 -11.042 -9.761 -0.069 178 HB2 ASP 25 HB2 ASP 25 -11.968 -8.824 -2.781 179 HB3 ASP 25 HB3 ASP 25 -10.624 -9.942 -2.600 180 H LEU 26 H LEU 26 -9.527 -8.770 0.993 181 HA LEU 26 HA LEU 26 -7.794 -6.917 -0.493 182 HB2 LEU 26 HB2 LEU 26 -8.984 -6.170 1.639 183 HB3 LEU 26 HB3 LEU 26 -8.014 -7.347 2.480 184 HG LEU 26 HG LEU 26 -5.973 -6.144 1.808 185 HD11 LEU 26 HD11 LEU 26 -6.189 -3.908 0.846 186 HD12 LEU 26 HD12 LEU 26 -7.928 -4.145 0.688 187 HD13 LEU 26 HD13 LEU 26 -6.813 -5.146 -0.244 188 HD21 LEU 26 HD21 LEU 26 -7.035 -5.701 3.958 189 HD22 LEU 26 HD22 LEU 26 -8.061 -4.479 3.206 190 HD23 LEU 26 HD23 LEU 26 -6.318 -4.232 3.295 191 H SER 27 H SER 27 -8.146 -10.009 0.075 192 HA SER 27 HA SER 27 -5.317 -10.532 0.549 193 HB2 SER 27 HB2 SER 27 -7.695 -12.210 1.363 194 HB3 SER 27 HB3 SER 27 -6.001 -12.626 1.622 195 HG SER 27 HG SER 27 -7.484 -10.494 2.776 196 H GLY 28 H GLY 28 -4.366 -11.811 -0.962 197 HA2 GLY 28 HA2 GLY 28 -4.193 -13.362 -2.635 198 HA3 GLY 28 HA3 GLY 28 -5.940 -13.527 -2.642 199 H ASP 29 H ASP 29 -3.217 -12.079 -4.038 200 HA ASP 29 HA ASP 29 -2.853 -10.651 -5.786 201 HB2 ASP 29 HB2 ASP 29 -3.866 -11.433 -7.919 202 HB3 ASP 29 HB3 ASP 29 -3.197 -12.728 -6.950 203 H PHE 30 H PHE 30 -4.359 -9.305 -4.094 204 HA PHE 30 HA PHE 30 -6.586 -8.059 -5.416 205 HB2 PHE 30 HB2 PHE 30 -6.749 -6.668 -3.438 206 HB3 PHE 30 HB3 PHE 30 -6.535 -8.350 -2.963 207 HD1 PHE 30 HD2 PHE 30 -4.173 -9.076 -2.268 208 HD2 PHE 30 HD1 PHE 30 -5.343 -5.003 -2.631 209 HE1 PHE 30 HE2 PHE 30 -2.271 -8.401 -0.870 210 HE2 PHE 30 HE1 PHE 30 -3.440 -4.330 -1.237 211 HZ PHE 30 HZ PHE 30 -1.904 -6.030 -0.359 212 H LEU 31 H LEU 31 -3.350 -7.749 -5.707 213 HA LEU 31 HA LEU 31 -2.730 -5.048 -5.847 214 HB2 LEU 31 HB2 LEU 31 -1.613 -7.352 -7.420 215 HB3 LEU 31 HB3 LEU 31 -1.031 -5.724 -7.612 216 HG LEU 31 HG LEU 31 -0.309 -5.679 -5.254 217 HD11 LEU 31 HD11 LEU 31 -1.131 -8.569 -5.200 218 HD12 LEU 31 HD12 LEU 31 -1.891 -7.252 -4.309 219 HD13 LEU 31 HD13 LEU 31 -0.229 -7.719 -3.944 220 HD21 LEU 31 HD21 LEU 31 1.246 -6.320 -6.990 221 HD22 LEU 31 HD22 LEU 31 0.742 -8.005 -6.845 222 HD23 LEU 31 HD23 LEU 31 1.569 -7.213 -5.503 223 H ASP 32 H ASP 32 -4.516 -6.942 -8.124 224 HA ASP 32 HA ASP 32 -4.327 -4.854 -10.164 225 HB2 ASP 32 HB2 ASP 32 -3.979 -7.240 -10.788 226 HB3 ASP 32 HB3 ASP 32 -5.639 -7.581 -10.318 227 H LEU 33 H LEU 33 -6.256 -5.592 -7.561 228 HA LEU 33 HA LEU 33 -8.793 -4.862 -8.718 229 HB2 LEU 33 HB2 LEU 33 -7.975 -5.295 -5.842 230 HB3 LEU 33 HB3 LEU 33 -9.613 -5.026 -6.398 231 HG LEU 33 HG LEU 33 -7.895 -7.429 -7.006 232 HD11 LEU 33 HD11 LEU 33 -8.734 -7.384 -4.740 233 HD12 LEU 33 HD12 LEU 33 -9.568 -8.625 -5.688 234 HD13 LEU 33 HD13 LEU 33 -10.366 -7.089 -5.338 235 HD21 LEU 33 HD21 LEU 33 -9.323 -6.883 -8.907 236 HD22 LEU 33 HD22 LEU 33 -10.729 -6.806 -7.846 237 HD23 LEU 33 HD23 LEU 33 -9.897 -8.340 -8.094 238 H ARG 34 H ARG 34 -9.704 -2.904 -8.494 239 HA ARG 34 HA ARG 34 -7.848 -0.741 -8.109 240 HB2 ARG 34 HB2 ARG 34 -10.786 -0.675 -8.767 241 HB3 ARG 34 HB3 ARG 34 -9.670 0.681 -8.883 242 HG2 ARG 34 HG2 ARG 34 -8.365 -0.551 -10.544 243 HG3 ARG 34 HG3 ARG 34 -9.537 -1.868 -10.478 244 HD2 ARG 34 HD2 ARG 34 -9.992 -0.452 -12.377 245 HD3 ARG 34 HD3 ARG 34 -11.290 -0.286 -11.193 246 HE ARG 34 HE ARG 34 -9.166 1.619 -10.938 247 HH11 ARG 34 HH11 ARG 34 -12.274 0.955 -12.473 248 HH12 ARG 34 HH12 ARG 34 -12.645 2.592 -12.781 249 HH21 ARG 34 HH21 ARG 34 -9.666 3.792 -11.242 250 HH22 ARG 34 HH22 ARG 34 -11.109 4.314 -12.030 251 H PHE 35 H PHE 35 -7.787 0.767 -6.539 252 HA PHE 35 HA PHE 35 -8.440 0.104 -3.951 253 HB2 PHE 35 HB2 PHE 35 -7.817 2.791 -5.136 254 HB3 PHE 35 HB3 PHE 35 -8.179 2.602 -3.427 255 HD1 PHE 35 HD2 PHE 35 -6.764 0.483 -2.396 256 HD2 PHE 35 HD1 PHE 35 -5.611 2.958 -5.650 257 HE1 PHE 35 HE2 PHE 35 -4.414 -0.123 -2.024 258 HE2 PHE 35 HE1 PHE 35 -3.262 2.348 -5.290 259 HZ PHE 35 HZ PHE 35 -2.652 0.956 -3.309 260 H GLU 36 H GLU 36 -10.367 2.009 -6.183 261 HA GLU 36 HA GLU 36 -12.269 2.972 -4.397 262 HB2 GLU 36 HB2 GLU 36 -13.804 3.165 -6.308 263 HB3 GLU 36 HB3 GLU 36 -12.198 3.798 -6.636 264 HG2 GLU 36 HG2 GLU 36 -11.651 1.977 -8.024 265 HG3 GLU 36 HG3 GLU 36 -13.039 1.044 -7.470 266 H ASP 37 H ASP 37 -11.941 -0.208 -5.704 267 HA ASP 37 HA ASP 37 -14.629 -0.953 -4.903 268 HB2 ASP 37 HB2 ASP 37 -13.745 -1.912 -6.958 269 HB3 ASP 37 HB3 ASP 37 -12.412 -2.642 -6.071 270 H ILE 38 H ILE 38 -11.399 -1.200 -3.696 271 HA ILE 38 HA ILE 38 -12.282 -3.148 -1.732 272 HB ILE 38 HB ILE 38 -9.901 -3.352 -1.041 273 HG12 ILE 38 HG12 ILE 38 -9.392 -1.546 -3.423 274 HG13 ILE 38 HG13 ILE 38 -9.174 -1.083 -1.744 275 HG21 ILE 38 HG21 ILE 38 -9.194 -4.575 -3.060 276 HG22 ILE 38 HG22 ILE 38 -10.492 -3.793 -3.962 277 HG23 ILE 38 HG23 ILE 38 -10.879 -4.894 -2.643 278 HD11 ILE 38 HD11 ILE 38 -7.409 -2.780 -1.526 279 HD12 ILE 38 HD12 ILE 38 -7.059 -1.582 -2.773 280 HD13 ILE 38 HD13 ILE 38 -7.623 -3.192 -3.234 281 H GLY 39 H GLY 39 -12.578 -0.029 -1.812 282 HA2 GLY 39 HA2 GLY 39 -13.375 1.305 -0.088 283 HA3 GLY 39 HA3 GLY 39 -12.856 0.084 1.059 284 H TYR 40 H TYR 40 -10.810 1.636 -1.347 285 HA TYR 40 HA TYR 40 -9.467 2.951 0.868 286 HB2 TYR 40 HB2 TYR 40 -8.215 1.553 -1.476 287 HB3 TYR 40 HB3 TYR 40 -7.324 2.784 -0.580 288 HD1 TYR 40 HD1 TYR 40 -9.143 -0.406 -0.183 289 HD2 TYR 40 HD2 TYR 40 -6.295 2.272 1.469 290 HE1 TYR 40 HE1 TYR 40 -8.656 -2.029 1.567 291 HE2 TYR 40 HE2 TYR 40 -5.780 0.640 3.233 292 HH TYR 40 HH TYR 40 -6.819 -1.274 4.330 293 H ASP 41 H ASP 41 -9.176 4.958 0.855 294 HA ASP 41 HA ASP 41 -10.481 6.404 -1.279 295 HB2 ASP 41 HB2 ASP 41 -10.560 8.201 0.480 296 HB3 ASP 41 HB3 ASP 41 -11.549 6.766 0.824 297 H SER 42 H SER 42 -7.936 7.173 0.970 298 HA SER 42 HA SER 42 -5.861 7.973 -0.655 299 HB2 SER 42 HB2 SER 42 -7.266 9.689 -1.635 300 HB3 SER 42 HB3 SER 42 -7.830 10.236 -0.041 301 H LEU 43 H LEU 43 -7.899 8.894 2.091 302 HA LEU 43 HA LEU 43 -5.831 9.705 3.829 303 HB2 LEU 43 HB2 LEU 43 -8.573 8.559 4.371 304 HB3 LEU 43 HB3 LEU 43 -7.522 9.200 5.617 305 HG LEU 43 HG LEU 43 -8.522 10.843 3.295 306 HD11 LEU 43 HD11 LEU 43 -10.120 11.793 4.887 307 HD12 LEU 43 HD12 LEU 43 -9.590 10.644 6.115 308 HD13 LEU 43 HD13 LEU 43 -10.408 10.067 4.663 309 HD21 LEU 43 HD21 LEU 43 -7.267 11.551 5.936 310 HD22 LEU 43 HD22 LEU 43 -7.832 12.694 4.717 311 HD23 LEU 43 HD23 LEU 43 -6.479 11.619 4.361 312 H ALA 44 H ALA 44 -7.706 6.705 3.709 313 HA ALA 44 HA ALA 44 -6.111 5.241 5.525 314 HB1 ALA 44 HB1 ALA 44 -8.418 4.664 5.085 315 HB2 ALA 44 HB2 ALA 44 -7.412 3.301 4.579 316 HB3 ALA 44 HB3 ALA 44 -8.073 4.444 3.382 317 H LEU 45 H LEU 45 -6.061 5.782 2.139 318 HA LEU 45 HA LEU 45 -4.306 3.695 1.378 319 HB2 LEU 45 HB2 LEU 45 -5.914 4.977 -0.066 320 HB3 LEU 45 HB3 LEU 45 -4.836 6.334 -0.039 321 HG LEU 45 HG LEU 45 -4.236 3.624 -1.266 322 HD11 LEU 45 HD11 LEU 45 -5.999 4.786 -2.441 323 HD12 LEU 45 HD12 LEU 45 -4.519 4.768 -3.402 324 HD13 LEU 45 HD13 LEU 45 -5.002 6.236 -2.550 325 HD21 LEU 45 HD21 LEU 45 -2.193 4.804 -0.577 326 HD22 LEU 45 HD22 LEU 45 -2.714 6.230 -1.476 327 HD23 LEU 45 HD23 LEU 45 -2.337 4.736 -2.335 328 H MET 46 H MET 46 -3.729 7.169 2.099 329 HA MET 46 HA MET 46 -0.906 6.971 1.756 330 HB2 MET 46 HB2 MET 46 -2.580 9.104 3.080 331 HB3 MET 46 HB3 MET 46 -0.838 9.225 2.850 332 HG2 MET 46 HG2 MET 46 -1.136 9.028 0.457 333 HG3 MET 46 HG3 MET 46 -2.879 8.885 0.722 334 HE1 MET 46 HE1 MET 46 -3.837 12.444 2.036 335 HE2 MET 46 HE2 MET 46 -3.442 11.008 2.982 336 HE3 MET 46 HE3 MET 46 -4.431 10.863 1.528 337 H GLU 47 H GLU 47 -3.062 6.629 4.435 338 HA GLU 47 HA GLU 47 -1.194 6.546 6.504 339 HB2 GLU 47 HB2 GLU 47 -3.803 5.429 5.918 340 HB3 GLU 47 HB3 GLU 47 -3.056 4.844 7.428 341 HG2 GLU 47 HG2 GLU 47 -3.888 7.631 6.606 342 HG3 GLU 47 HG3 GLU 47 -4.553 6.659 7.919 343 H THR 48 H THR 48 -2.311 3.993 4.314 344 HA THR 48 HA THR 48 -0.801 1.853 5.269 345 HB THR 48 HB THR 48 -1.682 2.580 2.465 346 HG1 THR 48 HG1 THR 48 -2.787 0.633 4.165 347 HG21 THR 48 HG21 THR 48 -1.420 0.199 1.942 348 HG22 THR 48 HG22 THR 48 -0.684 -0.066 3.525 349 HG23 THR 48 HG23 THR 48 0.122 0.963 2.328 350 H ALA 49 H ALA 49 -0.123 4.119 2.621 351 HA ALA 49 HA ALA 49 2.396 3.213 1.908 352 HB1 ALA 49 HB1 ALA 49 1.052 4.744 0.552 353 HB2 ALA 49 HB2 ALA 49 2.691 5.356 0.792 354 HB3 ALA 49 HB3 ALA 49 1.350 6.035 1.716 355 H ALA 50 H ALA 50 1.579 5.868 4.139 356 HA ALA 50 HA ALA 50 4.229 6.580 4.730 357 HB1 ALA 50 HB1 ALA 50 1.788 6.988 6.436 358 HB2 ALA 50 HB2 ALA 50 2.318 8.041 5.124 359 HB3 ALA 50 HB3 ALA 50 3.317 7.857 6.566 360 H ARG 51 H ARG 51 2.093 4.238 6.226 361 HA ARG 51 HA ARG 51 3.778 3.775 8.441 362 HB2 ARG 51 HB2 ARG 51 1.343 3.167 8.283 363 HB3 ARG 51 HB3 ARG 51 1.813 1.823 7.255 364 HG2 ARG 51 HG2 ARG 51 2.933 0.733 9.003 365 HG3 ARG 51 HG3 ARG 51 2.925 2.182 10.016 366 HD2 ARG 51 HD2 ARG 51 0.527 0.568 9.170 367 HD3 ARG 51 HD3 ARG 51 1.229 0.635 10.790 368 HE ARG 51 HE ARG 51 0.730 3.219 10.182 369 HH11 ARG 51 HH11 ARG 51 -1.202 0.347 10.711 370 HH12 ARG 51 HH12 ARG 51 -2.699 1.136 10.809 371 HH21 ARG 51 HH21 ARG 51 -1.297 4.398 10.332 372 HH22 ARG 51 HH22 ARG 51 -2.755 3.551 10.602 373 H LEU 52 H LEU 52 3.529 2.286 5.256 374 HA LEU 52 HA LEU 52 5.612 0.415 5.714 375 HB2 LEU 52 HB2 LEU 52 4.614 1.574 3.102 376 HB3 LEU 52 HB3 LEU 52 5.747 0.243 3.238 377 HG LEU 52 HG LEU 52 2.909 0.189 4.236 378 HD11 LEU 52 HD11 LEU 52 4.194 -1.120 1.842 379 HD12 LEU 52 HD12 LEU 52 3.039 0.211 1.798 380 HD13 LEU 52 HD13 LEU 52 2.538 -1.373 2.391 381 HD21 LEU 52 HD21 LEU 52 3.346 -2.192 4.580 382 HD22 LEU 52 HD22 LEU 52 4.420 -1.198 5.563 383 HD23 LEU 52 HD23 LEU 52 5.024 -1.962 4.093 384 H GLU 53 H GLU 53 5.544 3.726 4.587 385 HA GLU 53 HA GLU 53 8.200 4.054 3.825 386 HB2 GLU 53 HB2 GLU 53 6.394 6.006 5.196 387 HB3 GLU 53 HB3 GLU 53 7.944 6.445 4.503 388 HG2 GLU 53 HG2 GLU 53 7.072 5.753 2.293 389 HG3 GLU 53 HG3 GLU 53 5.505 5.459 3.049 390 H SER 54 H SER 54 6.769 4.679 6.974 391 HA SER 54 HA SER 54 9.204 5.236 8.225 392 HB2 SER 54 HB2 SER 54 7.803 4.826 10.351 393 HB3 SER 54 HB3 SER 54 7.296 6.121 9.269 394 HG SER 54 HG SER 54 5.632 4.931 8.577 395 H ARG 55 H ARG 55 7.358 2.243 7.987 396 HA ARG 55 HA ARG 55 8.978 0.739 9.733 397 HB2 ARG 55 HB2 ARG 55 6.698 0.094 9.156 398 HB3 ARG 55 HB3 ARG 55 7.201 -0.232 7.510 399 HG2 ARG 55 HG2 ARG 55 8.532 -2.087 8.204 400 HG3 ARG 55 HG3 ARG 55 8.295 -1.686 9.910 401 HD2 ARG 55 HD2 ARG 55 6.162 -2.536 7.952 402 HD3 ARG 55 HD3 ARG 55 6.828 -3.517 9.262 403 HE ARG 55 HE ARG 55 5.987 -1.363 10.568 404 HH11 ARG 55 HH11 ARG 55 4.276 -3.471 8.228 405 HH12 ARG 55 HH12 ARG 55 2.734 -3.112 8.889 406 HH21 ARG 55 HH21 ARG 55 3.821 -0.903 11.377 407 HH22 ARG 55 HH22 ARG 55 2.475 -1.693 10.654 408 H TYR 56 H TYR 56 9.086 0.958 6.158 409 HA TYR 56 HA TYR 56 11.413 -0.802 6.290 410 HB2 TYR 56 HB2 TYR 56 9.677 -0.098 3.932 411 HB3 TYR 56 HB3 TYR 56 11.111 -1.112 3.850 412 HD1 TYR 56 HD2 TYR 56 11.119 -3.187 5.465 413 HD2 TYR 56 HD1 TYR 56 7.609 -1.106 4.275 414 HE1 TYR 56 HE2 TYR 56 9.771 -5.176 5.993 415 HE2 TYR 56 HE1 TYR 56 6.252 -3.083 4.806 416 HH TYR 56 HH TYR 56 6.785 -5.729 4.905 417 H GLY 57 H GLY 57 10.784 2.495 5.914 418 HA2 GLY 57 HA2 GLY 57 12.394 4.150 5.730 419 HA3 GLY 57 HA3 GLY 57 13.572 2.932 5.256 420 H VAL 58 H VAL 58 10.561 4.306 4.027 421 HA VAL 58 HA VAL 58 11.857 4.689 1.439 422 HB VAL 58 HB VAL 58 9.881 3.902 0.160 423 HG11 VAL 58 HG11 VAL 58 11.657 2.298 0.548 424 HG12 VAL 58 HG12 VAL 58 10.052 1.532 0.527 425 HG13 VAL 58 HG13 VAL 58 10.867 1.831 2.067 426 HG21 VAL 58 HG21 VAL 58 8.118 2.609 1.229 427 HG22 VAL 58 HG22 VAL 58 8.153 4.272 1.822 428 HG23 VAL 58 HG23 VAL 58 8.813 2.966 2.808 429 H SER 59 H SER 59 10.235 6.067 -0.062 430 HA SER 59 HA SER 59 8.658 7.853 1.584 431 HB2 SER 59 HB2 SER 59 10.747 8.774 -0.396 432 HB3 SER 59 HB3 SER 59 9.641 9.807 0.519 433 HG SER 59 HG SER 59 10.828 8.247 2.262 434 H ILE 60 H ILE 60 6.764 7.767 0.770 435 HA ILE 60 HA ILE 60 6.396 7.501 -2.129 436 HB ILE 60 HB ILE 60 4.569 6.635 0.159 437 HG12 ILE 60 HG12 ILE 60 4.524 4.451 -0.973 438 HG13 ILE 60 HG13 ILE 60 5.481 5.096 -2.303 439 HG21 ILE 60 HG21 ILE 60 2.792 6.140 -1.462 440 HG22 ILE 60 HG22 ILE 60 3.746 6.902 -2.731 441 HG23 ILE 60 HG23 ILE 60 3.151 7.865 -1.383 442 HD11 ILE 60 HD11 ILE 60 6.769 3.685 -0.841 443 HD12 ILE 60 HD12 ILE 60 6.345 4.694 0.542 444 HD13 ILE 60 HD13 ILE 60 7.351 5.347 -0.751 445 HA PRO 61 HA PRO 61 5.449 11.833 -1.764 446 HB2 PRO 61 HB2 PRO 61 4.748 11.395 -4.619 447 HB3 PRO 61 HB3 PRO 61 5.853 12.575 -3.905 448 HG2 PRO 61 HG2 PRO 61 6.801 10.484 -5.218 449 HG3 PRO 61 HG3 PRO 61 7.585 11.037 -3.725 450 HD2 PRO 61 HD2 PRO 61 5.710 8.738 -4.145 451 HD3 PRO 61 HD3 PRO 61 7.202 8.812 -3.178 452 H ASP 62 H ASP 62 3.619 12.892 -1.370 453 HA ASP 62 HA ASP 62 1.211 11.529 -0.889 454 HB2 ASP 62 HB2 ASP 62 1.581 14.513 -1.183 455 HB3 ASP 62 HB3 ASP 62 0.145 13.737 -0.545 456 H ASP 63 H ASP 63 2.185 13.445 -3.654 457 HA ASP 63 HA ASP 63 -0.439 13.713 -4.775 458 HB2 ASP 63 HB2 ASP 63 2.253 13.968 -6.155 459 HB3 ASP 63 HB3 ASP 63 0.718 14.383 -6.889 460 H VAL 64 H VAL 64 2.005 11.351 -4.905 461 HA VAL 64 HA VAL 64 0.971 9.881 -7.184 462 HB VAL 64 HB VAL 64 2.841 8.989 -4.999 463 HG11 VAL 64 HG11 VAL 64 3.623 7.361 -6.702 464 HG12 VAL 64 HG12 VAL 64 2.407 7.974 -7.821 465 HG13 VAL 64 HG13 VAL 64 1.909 7.162 -6.335 466 HG21 VAL 64 HG21 VAL 64 3.516 10.257 -7.656 467 HG22 VAL 64 HG22 VAL 64 4.688 9.561 -6.536 468 HG23 VAL 64 HG23 VAL 64 3.749 10.979 -6.062 469 H ALA 65 H ALA 65 1.096 9.453 -3.685 470 HA ALA 65 HA ALA 65 -0.286 7.060 -3.514 471 HB1 ALA 65 HB1 ALA 65 0.971 8.041 -1.666 472 HB2 ALA 65 HB2 ALA 65 -0.685 7.613 -1.201 473 HB3 ALA 65 HB3 ALA 65 -0.264 9.301 -1.527 474 H GLY 66 H GLY 66 -1.562 10.358 -3.615 475 HA2 GLY 66 HA2 GLY 66 -4.263 9.399 -3.172 476 HA3 GLY 66 HA3 GLY 66 -3.783 11.060 -3.480 477 H ARG 67 H ARG 67 -2.421 9.000 -5.734 478 HA ARG 67 HA ARG 67 -4.602 9.525 -7.626 479 HB2 ARG 67 HB2 ARG 67 -2.800 11.147 -7.939 480 HB3 ARG 67 HB3 ARG 67 -1.644 9.839 -8.137 481 HG2 ARG 67 HG2 ARG 67 -2.781 9.121 -10.142 482 HG3 ARG 67 HG3 ARG 67 -3.972 10.410 -9.938 483 HD2 ARG 67 HD2 ARG 67 -2.233 12.080 -10.197 484 HD3 ARG 67 HD3 ARG 67 -1.012 10.809 -10.334 485 HE ARG 67 HE ARG 67 -2.994 10.347 -12.225 486 HH11 ARG 67 HH11 ARG 67 -0.507 12.829 -11.622 487 HH12 ARG 67 HH12 ARG 67 -0.171 13.069 -13.268 488 HH21 ARG 67 HH21 ARG 67 -2.564 10.734 -14.467 489 HH22 ARG 67 HH22 ARG 67 -1.433 11.924 -14.933 490 H VAL 68 H VAL 68 -2.402 7.187 -6.369 491 HA VAL 68 HA VAL 68 -2.319 5.526 -8.687 492 HB VAL 68 HB VAL 68 -1.512 3.701 -7.047 493 HG11 VAL 68 HG11 VAL 68 0.001 6.311 -7.168 494 HG12 VAL 68 HG12 VAL 68 0.026 5.031 -8.384 495 HG13 VAL 68 HG13 VAL 68 0.686 4.732 -6.774 496 HG21 VAL 68 HG21 VAL 68 -2.506 4.651 -4.992 497 HG22 VAL 68 HG22 VAL 68 -1.431 6.049 -5.158 498 HG23 VAL 68 HG23 VAL 68 -0.756 4.452 -4.852 499 H ASP 69 H ASP 69 -3.505 3.840 -9.284 500 HA ASP 69 HA ASP 69 -6.200 3.902 -8.177 501 HB2 ASP 69 HB2 ASP 69 -5.866 4.398 -10.555 502 HB3 ASP 69 HB3 ASP 69 -5.162 2.805 -10.779 503 H THR 70 H THR 70 -3.578 1.693 -8.806 504 HA THR 70 HA THR 70 -5.166 -0.394 -7.484 505 HB THR 70 HB THR 70 -3.759 -2.038 -8.852 506 HG1 THR 70 HG1 THR 70 -3.107 0.421 -10.095 507 HG21 THR 70 HG21 THR 70 -6.134 -1.632 -9.311 508 HG22 THR 70 HG22 THR 70 -5.240 -1.848 -10.817 509 HG23 THR 70 HG23 THR 70 -5.708 -0.230 -10.291 510 HA PRO 71 HA PRO 71 -2.093 -0.820 -4.316 511 HB2 PRO 71 HB2 PRO 71 -2.447 -3.758 -4.719 512 HB3 PRO 71 HB3 PRO 71 -2.554 -2.803 -3.239 513 HG2 PRO 71 HG2 PRO 71 -4.757 -3.675 -4.419 514 HG3 PRO 71 HG3 PRO 71 -4.692 -2.059 -3.694 515 HD2 PRO 71 HD2 PRO 71 -4.570 -2.855 -6.567 516 HD3 PRO 71 HD3 PRO 71 -5.352 -1.453 -5.815 517 H ARG 72 H ARG 72 -1.853 -2.784 -7.207 518 HA ARG 72 HA ARG 72 0.748 -3.706 -7.172 519 HB2 ARG 72 HB2 ARG 72 -0.711 -4.301 -8.951 520 HB3 ARG 72 HB3 ARG 72 -0.939 -2.628 -9.420 521 HG2 ARG 72 HG2 ARG 72 1.391 -2.533 -10.175 522 HG3 ARG 72 HG3 ARG 72 1.605 -4.220 -9.703 523 HD2 ARG 72 HD2 ARG 72 -0.446 -3.251 -11.676 524 HD3 ARG 72 HD3 ARG 72 1.135 -3.904 -12.129 525 HE ARG 72 HE ARG 72 0.412 -5.902 -10.872 526 HH11 ARG 72 HH11 ARG 72 -2.074 -3.792 -12.313 527 HH12 ARG 72 HH12 ARG 72 -3.133 -5.089 -12.682 528 HH21 ARG 72 HH21 ARG 72 -1.062 -7.629 -11.417 529 HH22 ARG 72 HH22 ARG 72 -2.536 -7.315 -12.216 530 H GLU 73 H GLU 73 -0.428 -0.559 -8.250 531 HA GLU 73 HA GLU 73 2.044 0.491 -9.070 532 HB2 GLU 73 HB2 GLU 73 -0.446 1.938 -8.182 533 HB3 GLU 73 HB3 GLU 73 0.868 2.618 -9.136 534 HG2 GLU 73 HG2 GLU 73 0.385 1.103 -10.945 535 HG3 GLU 73 HG3 GLU 73 -0.865 0.320 -9.987 536 H LEU 74 H LEU 74 0.293 0.572 -6.056 537 HA LEU 74 HA LEU 74 2.021 2.429 -4.730 538 HB2 LEU 74 HB2 LEU 74 -0.398 1.855 -4.171 539 HB3 LEU 74 HB3 LEU 74 0.194 0.368 -3.465 540 HG LEU 74 HG LEU 74 0.889 3.153 -2.473 541 HD11 LEU 74 HD11 LEU 74 -1.458 2.700 -2.195 542 HD12 LEU 74 HD12 LEU 74 -0.640 2.664 -0.631 543 HD13 LEU 74 HD13 LEU 74 -1.098 1.154 -1.426 544 HD21 LEU 74 HD21 LEU 74 1.310 0.455 -1.173 545 HD22 LEU 74 HD22 LEU 74 1.702 2.027 -0.465 546 HD23 LEU 74 HD23 LEU 74 2.565 1.461 -1.898 547 H LEU 75 H LEU 75 1.733 -1.109 -4.746 548 HA LEU 75 HA LEU 75 3.839 -1.673 -3.003 549 HB2 LEU 75 HB2 LEU 75 2.171 -3.327 -3.812 550 HB3 LEU 75 HB3 LEU 75 2.960 -3.320 -5.376 551 HG LEU 75 HG LEU 75 5.023 -4.186 -4.314 552 HD11 LEU 75 HD11 LEU 75 4.914 -5.050 -2.036 553 HD12 LEU 75 HD12 LEU 75 3.291 -4.379 -1.855 554 HD13 LEU 75 HD13 LEU 75 4.671 -3.305 -2.078 555 HD21 LEU 75 HD21 LEU 75 3.423 -5.726 -5.335 556 HD22 LEU 75 HD22 LEU 75 2.547 -5.835 -3.808 557 HD23 LEU 75 HD23 LEU 75 4.195 -6.453 -3.927 558 H ASP 76 H ASP 76 3.811 -1.190 -6.488 559 HA ASP 76 HA ASP 76 6.534 -1.716 -6.957 560 HB2 ASP 76 HB2 ASP 76 4.851 -1.640 -8.763 561 HB3 ASP 76 HB3 ASP 76 4.676 0.095 -8.521 562 H LEU 77 H LEU 77 4.859 1.174 -5.933 563 HA LEU 77 HA LEU 77 6.976 3.026 -6.130 564 HB2 LEU 77 HB2 LEU 77 4.741 2.875 -4.098 565 HB3 LEU 77 HB3 LEU 77 5.801 4.249 -4.282 566 HG LEU 77 HG LEU 77 3.901 3.257 -6.389 567 HD11 LEU 77 HD11 LEU 77 2.572 5.218 -5.789 568 HD12 LEU 77 HD12 LEU 77 3.695 5.578 -4.476 569 HD13 LEU 77 HD13 LEU 77 2.728 4.102 -4.432 570 HD21 LEU 77 HD21 LEU 77 5.554 5.774 -6.195 571 HD22 LEU 77 HD22 LEU 77 4.391 5.399 -7.465 572 HD23 LEU 77 HD23 LEU 77 5.853 4.424 -7.288 573 H ILE 78 H ILE 78 5.885 0.974 -3.466 574 HA ILE 78 HA ILE 78 7.868 1.591 -1.569 575 HB ILE 78 HB ILE 78 6.656 -1.161 -1.932 576 HG12 ILE 78 HG12 ILE 78 4.834 0.551 -1.888 577 HG13 ILE 78 HG13 ILE 78 4.805 -0.511 -0.491 578 HG21 ILE 78 HG21 ILE 78 7.700 0.306 0.482 579 HG22 ILE 78 HG22 ILE 78 8.485 -1.033 -0.360 580 HG23 ILE 78 HG23 ILE 78 6.969 -1.298 0.501 581 HD11 ILE 78 HD11 ILE 78 5.872 2.301 -0.555 582 HD12 ILE 78 HD12 ILE 78 5.836 1.244 0.857 583 HD13 ILE 78 HD13 ILE 78 4.327 1.782 0.122 584 H ASN 79 H ASN 79 7.657 -1.093 -3.882 585 HA ASN 79 HA ASN 79 10.109 -2.333 -3.314 586 HB2 ASN 79 HB2 ASN 79 8.441 -2.326 -5.829 587 HB3 ASN 79 HB3 ASN 79 9.956 -3.199 -5.745 588 HD21 ASN 79 HD21 ASN 79 7.677 -3.007 -3.024 589 HD22 ASN 79 HD22 ASN 79 7.206 -4.678 -3.139 590 H GLY 80 H GLY 80 9.363 0.119 -5.764 591 HA2 GLY 80 HA2 GLY 80 11.955 0.330 -6.833 592 HA3 GLY 80 HA3 GLY 80 10.707 1.565 -6.917 593 H ALA 81 H ALA 81 10.405 1.970 -4.117 594 HA ALA 81 HA ALA 81 12.537 3.780 -3.671 595 HB1 ALA 81 HB1 ALA 81 10.257 4.198 -2.871 596 HB2 ALA 81 HB2 ALA 81 11.431 4.262 -1.554 597 HB3 ALA 81 HB3 ALA 81 10.404 2.842 -1.752 598 H LEU 82 H LEU 82 11.800 0.573 -2.500 599 HA LEU 82 HA LEU 82 13.871 0.368 -0.581 600 HB2 LEU 82 HB2 LEU 82 12.536 -1.759 -2.267 601 HB3 LEU 82 HB3 LEU 82 13.650 -2.107 -0.960 602 HG LEU 82 HG LEU 82 11.031 -0.647 -0.592 603 HD11 LEU 82 HD11 LEU 82 10.635 -2.925 -1.361 604 HD12 LEU 82 HD12 LEU 82 10.194 -2.745 0.337 605 HD13 LEU 82 HD13 LEU 82 11.705 -3.545 -0.105 606 HD21 LEU 82 HD21 LEU 82 12.716 -0.174 1.115 607 HD22 LEU 82 HD22 LEU 82 12.949 -1.903 1.373 608 HD23 LEU 82 HD23 LEU 82 11.405 -1.150 1.775 609 H ALA 83 H ALA 83 13.706 -0.252 -4.027 610 HA ALA 83 HA ALA 83 16.292 -1.260 -4.420 611 HB1 ALA 83 HB1 ALA 83 14.509 -1.452 -6.096 612 HB2 ALA 83 HB2 ALA 83 15.965 -0.730 -6.775 613 HB3 ALA 83 HB3 ALA 83 14.585 0.290 -6.365 614 H GLU 84 H GLU 84 15.104 2.029 -4.138 615 HA GLU 84 HA GLU 84 17.351 3.405 -5.136 616 HB2 GLU 84 HB2 GLU 84 15.525 4.263 -2.899 617 HB3 GLU 84 HB3 GLU 84 16.631 5.304 -3.774 618 HG2 GLU 84 HG2 GLU 84 15.312 4.822 -5.833 619 HG3 GLU 84 HG3 GLU 84 14.144 3.984 -4.801 620 H ALA 85 H ALA 85 16.693 1.959 -2.044 621 HA ALA 85 HA ALA 85 19.083 3.116 -0.860 622 HB1 ALA 85 HB1 ALA 85 17.019 3.072 0.456 623 HB2 ALA 85 HB2 ALA 85 18.292 2.128 1.225 624 HB3 ALA 85 HB3 ALA 85 16.990 1.312 0.356 625 H ALA 86 H ALA 86 18.634 0.679 -2.887 626 HA ALA 86 HA ALA 86 20.402 -1.186 -1.493 627 HB1 ALA 86 HB1 ALA 86 18.692 -1.591 -3.952 628 HB2 ALA 86 HB2 ALA 86 18.300 -2.144 -2.325 629 HB3 ALA 86 HB3 ALA 86 19.689 -2.823 -3.179 630 H28 SXA 87 H28A SXA 87 -7.975 13.236 0.301 631 H28A SXA 87 H28B SXA 87 -6.915 12.330 1.379 632 H30 SXA 87 H30A SXA 87 -5.350 15.337 2.889 633 H30A SXA 87 H30B SXA 87 -4.777 14.559 1.413 634 H30B SXA 87 H30C SXA 87 -5.276 13.578 2.792 635 H31 SXA 87 H31A SXA 87 -7.078 16.589 1.534 636 H31A SXA 87 H31B SXA 87 -8.167 15.685 0.483 637 H31B SXA 87 H31C SXA 87 -6.453 15.802 0.085 638 H32 SXA 87 H32A SXA 87 -7.806 13.407 3.406 639 HO33 SXA 87 H33A SXA 87 -9.677 15.132 2.632 640 HN36 SXA 87 H36A SXA 87 -6.244 14.849 4.668 641 H37 SXA 87 H37A SXA 87 -7.074 17.554 5.324 642 H37A SXA 87 H37B SXA 87 -7.361 16.351 6.567 643 H38 SXA 87 H38A SXA 87 -5.284 17.397 7.029 644 H38A SXA 87 H38B SXA 87 -4.951 15.736 6.502 645 HN41 SXA 87 H41A SXA 87 -5.856 18.166 4.191 646 H42 SXA 87 H42A SXA 87 -3.160 18.936 3.454 647 H42A SXA 87 H42B SXA 87 -4.042 17.938 2.300 648 H43 SXA 87 H43A SXA 87 -4.924 20.642 3.329 649 H43A SXA 87 H43B SXA 87 -5.842 19.603 2.229 650 H2 SXA 87 H2C SXA 87 -2.801 18.359 -1.202 651 H2A SXA 87 H2A SXA 87 -2.668 20.115 -1.063 652 H2B SXA 87 H2B SXA 87 -3.940 19.401 -2.062 Start of MODEL 8 1 H1 MET 1 H1 MET 1 20.232 -7.851 -1.513 2 H2 MET 1 H2 MET 1 19.947 -7.195 0.003 3 H3 MET 1 H3 MET 1 21.520 -7.106 -0.675 4 HA MET 1 HA MET 1 20.503 -4.994 -0.862 5 HB2 MET 1 HB2 MET 1 21.810 -5.725 -2.803 6 HB3 MET 1 HB3 MET 1 20.388 -6.500 -3.487 7 HG2 MET 1 HG2 MET 1 19.301 -4.258 -3.558 8 HG3 MET 1 HG3 MET 1 20.845 -3.560 -3.069 9 HE1 MET 1 HE1 MET 1 20.186 -6.619 -5.469 10 HE2 MET 1 HE2 MET 1 20.145 -5.814 -7.036 11 HE3 MET 1 HE3 MET 1 18.881 -5.494 -5.847 12 H ALA 2 H ALA 2 18.645 -4.307 -0.169 13 HA ALA 2 HA ALA 2 16.542 -3.548 -0.212 14 HB1 ALA 2 HB1 ALA 2 16.131 -5.013 -2.813 15 HB2 ALA 2 HB2 ALA 2 16.743 -3.365 -2.656 16 HB3 ALA 2 HB3 ALA 2 15.101 -3.750 -2.135 17 H THR 3 H THR 3 14.617 -4.071 0.574 18 HA THR 3 HA THR 3 13.997 -6.907 0.941 19 HB THR 3 HB THR 3 13.093 -4.406 2.424 20 HG1 THR 3 HG1 THR 3 14.826 -6.532 3.088 21 HG21 THR 3 HG21 THR 3 12.540 -7.329 3.034 22 HG22 THR 3 HG22 THR 3 11.356 -6.165 2.439 23 HG23 THR 3 HG23 THR 3 12.059 -5.963 4.041 24 H LEU 4 H LEU 4 12.673 -7.404 -0.752 25 HA LEU 4 HA LEU 4 10.987 -5.288 -1.796 26 HB2 LEU 4 HB2 LEU 4 11.531 -8.039 -2.888 27 HB3 LEU 4 HB3 LEU 4 10.565 -6.806 -3.670 28 HG LEU 4 HG LEU 4 13.523 -6.614 -3.101 29 HD11 LEU 4 HD11 LEU 4 13.011 -8.202 -4.850 30 HD12 LEU 4 HD12 LEU 4 13.755 -6.749 -5.522 31 HD13 LEU 4 HD13 LEU 4 12.014 -7.000 -5.667 32 HD21 LEU 4 HD21 LEU 4 12.440 -4.427 -3.003 33 HD22 LEU 4 HD22 LEU 4 11.681 -4.723 -4.568 34 HD23 LEU 4 HD23 LEU 4 13.433 -4.568 -4.456 35 H LEU 5 H LEU 5 9.173 -5.057 -0.886 36 HA LEU 5 HA LEU 5 7.841 -7.068 0.576 37 HB2 LEU 5 HB2 LEU 5 6.729 -4.475 -0.477 38 HB3 LEU 5 HB3 LEU 5 5.996 -5.487 0.745 39 HG LEU 5 HG LEU 5 8.485 -3.825 0.977 40 HD11 LEU 5 HD11 LEU 5 6.377 -2.671 1.281 41 HD12 LEU 5 HD12 LEU 5 7.264 -2.782 2.799 42 HD13 LEU 5 HD13 LEU 5 5.893 -3.849 2.501 43 HD21 LEU 5 HD21 LEU 5 7.425 -5.855 2.943 44 HD22 LEU 5 HD22 LEU 5 8.734 -4.710 3.251 45 HD23 LEU 5 HD23 LEU 5 8.933 -5.975 2.037 46 H THR 6 H THR 6 6.138 -8.258 0.076 47 HA THR 6 HA THR 6 5.623 -8.553 -2.770 48 HB THR 6 HB THR 6 4.853 -10.865 -2.121 49 HG1 THR 6 HG1 THR 6 5.681 -9.925 0.444 50 HG21 THR 6 HG21 THR 6 7.705 -10.156 -1.397 51 HG22 THR 6 HG22 THR 6 7.107 -10.488 -3.023 52 HG23 THR 6 HG23 THR 6 7.122 -11.769 -1.811 53 H THR 7 H THR 7 3.305 -9.909 -2.799 54 HA THR 7 HA THR 7 1.307 -8.047 -2.582 55 HB THR 7 HB THR 7 1.016 -11.048 -2.415 56 HG1 THR 7 HG1 THR 7 1.059 -10.933 -4.708 57 HG21 THR 7 HG21 THR 7 -1.049 -9.761 -2.119 58 HG22 THR 7 HG22 THR 7 -1.051 -10.635 -3.653 59 HG23 THR 7 HG23 THR 7 -0.725 -8.901 -3.623 60 H ASP 8 H ASP 8 2.035 -10.766 -0.371 61 HA ASP 8 HA ASP 8 -0.026 -10.259 1.468 62 HB2 ASP 8 HB2 ASP 8 1.102 -12.416 1.367 63 HB3 ASP 8 HB3 ASP 8 2.592 -11.687 1.950 64 H ASP 9 H ASP 9 3.153 -8.847 1.284 65 HA ASP 9 HA ASP 9 3.258 -7.716 3.909 66 HB2 ASP 9 HB2 ASP 9 4.519 -6.757 1.326 67 HB3 ASP 9 HB3 ASP 9 4.846 -5.993 2.869 68 H LEU 10 H LEU 10 2.208 -6.515 0.802 69 HA LEU 10 HA LEU 10 1.275 -4.011 1.730 70 HB2 LEU 10 HB2 LEU 10 1.861 -4.524 -0.625 71 HB3 LEU 10 HB3 LEU 10 0.455 -5.563 -0.726 72 HG LEU 10 HG LEU 10 -0.990 -3.590 -0.339 73 HD11 LEU 10 HD11 LEU 10 1.589 -2.041 -0.552 74 HD12 LEU 10 HD12 LEU 10 0.585 -2.205 0.892 75 HD13 LEU 10 HD13 LEU 10 -0.036 -1.352 -0.518 76 HD21 LEU 10 HD21 LEU 10 -0.506 -4.365 -2.591 77 HD22 LEU 10 HD22 LEU 10 0.936 -3.351 -2.638 78 HD23 LEU 10 HD23 LEU 10 -0.663 -2.610 -2.550 79 H ARG 11 H ARG 11 -0.253 -7.110 1.093 80 HA ARG 11 HA ARG 11 -2.917 -6.668 1.598 81 HB2 ARG 11 HB2 ARG 11 -2.070 -8.808 0.891 82 HB3 ARG 11 HB3 ARG 11 -1.155 -8.988 2.375 83 HG2 ARG 11 HG2 ARG 11 -3.300 -9.100 3.612 84 HG3 ARG 11 HG3 ARG 11 -4.140 -9.072 2.053 85 HD2 ARG 11 HD2 ARG 11 -3.005 -11.088 1.368 86 HD3 ARG 11 HD3 ARG 11 -2.067 -11.102 2.860 87 HE ARG 11 HE ARG 11 -4.991 -11.276 2.930 88 HH11 ARG 11 HH11 ARG 11 -1.782 -12.703 3.739 89 HH12 ARG 11 HH12 ARG 11 -2.516 -13.986 4.603 90 HH21 ARG 11 HH21 ARG 11 -5.847 -13.098 4.172 91 HH22 ARG 11 HH22 ARG 11 -4.716 -14.209 4.851 92 H ARG 12 H ARG 12 -0.527 -7.694 4.003 93 HA ARG 12 HA ARG 12 -2.135 -7.339 6.248 94 HB2 ARG 12 HB2 ARG 12 0.801 -7.557 5.823 95 HB3 ARG 12 HB3 ARG 12 0.159 -7.213 7.428 96 HG2 ARG 12 HG2 ARG 12 -0.787 -9.257 7.654 97 HG3 ARG 12 HG3 ARG 12 -1.055 -9.444 5.921 98 HD2 ARG 12 HD2 ARG 12 0.655 -10.956 6.904 99 HD3 ARG 12 HD3 ARG 12 1.198 -9.986 5.544 100 HE ARG 12 HE ARG 12 1.755 -8.866 8.144 101 HH11 ARG 12 HH11 ARG 12 2.856 -10.943 5.497 102 HH12 ARG 12 HH12 ARG 12 4.508 -10.827 5.878 103 HH21 ARG 12 HH21 ARG 12 4.051 -8.636 8.678 104 HH22 ARG 12 HH22 ARG 12 5.207 -9.484 7.752 105 H ALA 13 H ALA 13 -0.046 -5.058 4.593 106 HA ALA 13 HA ALA 13 -0.205 -3.014 6.528 107 HB1 ALA 13 HB1 ALA 13 1.438 -2.967 4.698 108 HB2 ALA 13 HB2 ALA 13 0.475 -1.490 4.732 109 HB3 ALA 13 HB3 ALA 13 0.130 -2.741 3.535 110 H LEU 14 H LEU 14 -2.219 -3.810 3.740 111 HA LEU 14 HA LEU 14 -4.030 -1.693 4.121 112 HB2 LEU 14 HB2 LEU 14 -4.102 -4.194 2.509 113 HB3 LEU 14 HB3 LEU 14 -5.618 -3.386 2.824 114 HG LEU 14 HG LEU 14 -4.761 -1.346 1.740 115 HD11 LEU 14 HD11 LEU 14 -2.340 -2.997 1.087 116 HD12 LEU 14 HD12 LEU 14 -2.397 -1.600 2.165 117 HD13 LEU 14 HD13 LEU 14 -2.712 -1.399 0.441 118 HD21 LEU 14 HD21 LEU 14 -4.536 -3.831 0.070 119 HD22 LEU 14 HD22 LEU 14 -4.761 -2.192 -0.542 120 HD23 LEU 14 HD23 LEU 14 -6.012 -2.946 0.445 121 H VAL 15 H VAL 15 -3.857 -4.844 5.548 122 HA VAL 15 HA VAL 15 -6.442 -4.835 6.721 123 HB VAL 15 HB VAL 15 -3.895 -6.133 7.782 124 HG11 VAL 15 HG11 VAL 15 -5.601 -5.935 9.521 125 HG12 VAL 15 HG12 VAL 15 -5.395 -7.620 9.040 126 HG13 VAL 15 HG13 VAL 15 -6.786 -6.701 8.460 127 HG21 VAL 15 HG21 VAL 15 -6.108 -7.291 6.084 128 HG22 VAL 15 HG22 VAL 15 -4.748 -8.192 6.750 129 HG23 VAL 15 HG23 VAL 15 -4.468 -6.931 5.548 130 H GLU 16 H GLU 16 -3.274 -4.047 8.138 131 HA GLU 16 HA GLU 16 -4.347 -3.110 10.556 132 HB2 GLU 16 HB2 GLU 16 -2.104 -2.307 11.075 133 HB3 GLU 16 HB3 GLU 16 -2.087 -3.944 10.445 134 HG2 GLU 16 HG2 GLU 16 -1.333 -3.133 8.292 135 HG3 GLU 16 HG3 GLU 16 -1.436 -1.471 8.869 136 H SER 17 H SER 17 -3.723 -1.383 7.562 137 HA SER 17 HA SER 17 -3.903 1.199 8.811 138 HB2 SER 17 HB2 SER 17 -4.156 0.511 5.871 139 HB3 SER 17 HB3 SER 17 -3.859 2.112 6.551 140 HG SER 17 HG SER 17 -2.190 -0.148 6.507 141 H ALA 18 H ALA 18 -6.157 -1.012 7.263 142 HA ALA 18 HA ALA 18 -8.311 0.876 7.166 143 HB1 ALA 18 HB1 ALA 18 -8.237 -1.045 5.635 144 HB2 ALA 18 HB2 ALA 18 -9.712 -1.055 6.603 145 HB3 ALA 18 HB3 ALA 18 -8.382 -2.142 7.009 146 H GLY 19 H GLY 19 -7.001 -1.300 9.449 147 HA2 GLY 19 HA2 GLY 19 -7.338 -1.079 11.771 148 HA3 GLY 19 HA3 GLY 19 -8.897 -0.326 11.443 149 H GLU 20 H GLU 20 -10.586 -1.678 10.616 150 HA GLU 20 HA GLU 20 -10.370 -4.329 11.801 151 HB2 GLU 20 HB2 GLU 20 -12.801 -2.645 11.242 152 HB3 GLU 20 HB3 GLU 20 -12.877 -4.321 11.766 153 HG2 GLU 20 HG2 GLU 20 -11.714 -1.996 13.278 154 HG3 GLU 20 HG3 GLU 20 -13.190 -2.885 13.656 155 H THR 21 H THR 21 -11.673 -6.012 10.807 156 HA THR 21 HA THR 21 -10.868 -6.261 8.077 157 HB THR 21 HB THR 21 -12.382 -8.196 9.860 158 HG1 THR 21 HG1 THR 21 -10.267 -7.431 10.631 159 HG21 THR 21 HG21 THR 21 -12.438 -8.747 7.445 160 HG22 THR 21 HG22 THR 21 -11.458 -9.904 8.346 161 HG23 THR 21 HG23 THR 21 -10.678 -8.644 7.390 162 H ASP 22 H ASP 22 -12.160 -4.683 7.203 163 HA ASP 22 HA ASP 22 -14.854 -4.201 7.142 164 HB2 ASP 22 HB2 ASP 22 -13.325 -2.872 5.808 165 HB3 ASP 22 HB3 ASP 22 -12.961 -4.247 4.779 166 H GLY 23 H GLY 23 -13.205 -6.623 5.174 167 HA2 GLY 23 HA2 GLY 23 -14.248 -8.776 4.842 168 HA3 GLY 23 HA3 GLY 23 -15.805 -7.940 4.803 169 H THR 24 H THR 24 -12.826 -8.511 3.111 170 HA THR 24 HA THR 24 -14.090 -8.083 0.606 171 HB THR 24 HB THR 24 -13.461 -5.735 1.390 172 HG1 THR 24 HG1 THR 24 -13.046 -5.151 -0.505 173 HG21 THR 24 HG21 THR 24 -11.087 -5.064 1.286 174 HG22 THR 24 HG22 THR 24 -10.630 -6.752 1.057 175 HG23 THR 24 HG23 THR 24 -11.384 -6.242 2.568 176 H ASP 25 H ASP 25 -12.612 -8.897 -1.125 177 HA ASP 25 HA ASP 25 -10.977 -10.986 0.022 178 HB2 ASP 25 HB2 ASP 25 -12.496 -11.361 -1.984 179 HB3 ASP 25 HB3 ASP 25 -11.338 -10.424 -2.927 180 H LEU 26 H LEU 26 -9.125 -10.380 0.742 181 HA LEU 26 HA LEU 26 -7.532 -8.455 -0.811 182 HB2 LEU 26 HB2 LEU 26 -8.446 -7.781 1.446 183 HB3 LEU 26 HB3 LEU 26 -7.434 -9.019 2.152 184 HG LEU 26 HG LEU 26 -5.436 -7.801 1.300 185 HD11 LEU 26 HD11 LEU 26 -6.493 -6.656 -0.570 186 HD12 LEU 26 HD12 LEU 26 -5.723 -5.503 0.521 187 HD13 LEU 26 HD13 LEU 26 -7.474 -5.714 0.551 188 HD21 LEU 26 HD21 LEU 26 -5.565 -5.982 2.926 189 HD22 LEU 26 HD22 LEU 26 -6.227 -7.477 3.584 190 HD23 LEU 26 HD23 LEU 26 -7.312 -6.198 3.032 191 H SER 27 H SER 27 -7.747 -11.573 -0.642 192 HA SER 27 HA SER 27 -4.919 -12.101 -0.072 193 HB2 SER 27 HB2 SER 27 -7.223 -14.040 -0.294 194 HB3 SER 27 HB3 SER 27 -5.552 -14.446 0.120 195 HG SER 27 HG SER 27 -6.735 -12.459 1.616 196 H GLY 28 H GLY 28 -3.633 -12.951 -1.668 197 HA2 GLY 28 HA2 GLY 28 -3.118 -13.865 -3.739 198 HA3 GLY 28 HA3 GLY 28 -4.828 -13.807 -4.170 199 H ASP 29 H ASP 29 -4.547 -12.744 -6.143 200 HA ASP 29 HA ASP 29 -3.028 -10.303 -6.062 201 HB2 ASP 29 HB2 ASP 29 -2.922 -11.738 -8.096 202 HB3 ASP 29 HB3 ASP 29 -4.626 -11.400 -8.388 203 H PHE 30 H PHE 30 -4.295 -9.294 -4.498 204 HA PHE 30 HA PHE 30 -6.822 -8.185 -5.403 205 HB2 PHE 30 HB2 PHE 30 -6.796 -6.863 -3.323 206 HB3 PHE 30 HB3 PHE 30 -6.437 -8.543 -2.964 207 HD1 PHE 30 HD2 PHE 30 -4.188 -9.195 -2.251 208 HD2 PHE 30 HD1 PHE 30 -5.168 -5.128 -2.997 209 HE1 PHE 30 HE2 PHE 30 -2.167 -8.486 -1.054 210 HE2 PHE 30 HE1 PHE 30 -3.149 -4.416 -1.796 211 HZ PHE 30 HZ PHE 30 -1.645 -6.097 -0.825 212 H LEU 31 H LEU 31 -3.707 -7.809 -5.997 213 HA LEU 31 HA LEU 31 -3.018 -5.137 -6.092 214 HB2 LEU 31 HB2 LEU 31 -2.142 -7.250 -8.036 215 HB3 LEU 31 HB3 LEU 31 -1.290 -5.778 -7.620 216 HG LEU 31 HG LEU 31 -1.773 -8.118 -5.773 217 HD11 LEU 31 HD11 LEU 31 0.630 -8.463 -5.947 218 HD12 LEU 31 HD12 LEU 31 0.722 -7.166 -7.140 219 HD13 LEU 31 HD13 LEU 31 -0.184 -8.635 -7.502 220 HD21 LEU 31 HD21 LEU 31 -1.687 -6.001 -4.535 221 HD22 LEU 31 HD22 LEU 31 -0.148 -5.609 -5.312 222 HD23 LEU 31 HD23 LEU 31 -0.269 -7.003 -4.232 223 H ASP 32 H ASP 32 -5.035 -6.929 -8.301 224 HA ASP 32 HA ASP 32 -4.993 -4.861 -10.358 225 HB2 ASP 32 HB2 ASP 32 -4.956 -7.122 -11.141 226 HB3 ASP 32 HB3 ASP 32 -6.312 -7.566 -10.126 227 H LEU 33 H LEU 33 -6.723 -5.396 -7.536 228 HA LEU 33 HA LEU 33 -9.297 -4.456 -8.440 229 HB2 LEU 33 HB2 LEU 33 -8.164 -4.962 -5.695 230 HB3 LEU 33 HB3 LEU 33 -9.804 -4.423 -5.988 231 HG LEU 33 HG LEU 33 -8.672 -7.042 -6.986 232 HD11 LEU 33 HD11 LEU 33 -8.795 -6.972 -4.552 233 HD12 LEU 33 HD12 LEU 33 -10.029 -8.048 -5.223 234 HD13 LEU 33 HD13 LEU 33 -10.469 -6.430 -4.657 235 HD21 LEU 33 HD21 LEU 33 -10.509 -6.151 -8.330 236 HD22 LEU 33 HD22 LEU 33 -11.486 -5.968 -6.873 237 HD23 LEU 33 HD23 LEU 33 -11.009 -7.575 -7.419 238 H ARG 34 H ARG 34 -10.165 -2.454 -7.913 239 HA ARG 34 HA ARG 34 -8.300 -0.243 -7.862 240 HB2 ARG 34 HB2 ARG 34 -11.305 -0.356 -7.663 241 HB3 ARG 34 HB3 ARG 34 -10.366 1.119 -7.820 242 HG2 ARG 34 HG2 ARG 34 -9.767 0.636 -10.020 243 HG3 ARG 34 HG3 ARG 34 -10.199 -1.071 -9.852 244 HD2 ARG 34 HD2 ARG 34 -12.156 1.212 -9.699 245 HD3 ARG 34 HD3 ARG 34 -11.864 0.234 -11.143 246 HE ARG 34 HE ARG 34 -12.390 -1.583 -9.178 247 HH11 ARG 34 HH11 ARG 34 -14.222 1.192 -10.446 248 HH12 ARG 34 HH12 ARG 34 -15.733 0.439 -10.260 249 HH21 ARG 34 HH21 ARG 34 -14.503 -2.608 -8.906 250 HH22 ARG 34 HH22 ARG 34 -15.882 -1.761 -9.401 251 H PHE 35 H PHE 35 -7.830 1.083 -6.124 252 HA PHE 35 HA PHE 35 -8.075 0.219 -3.504 253 HB2 PHE 35 HB2 PHE 35 -7.684 3.001 -4.580 254 HB3 PHE 35 HB3 PHE 35 -7.762 2.680 -2.856 255 HD1 PHE 35 HD2 PHE 35 -6.106 0.918 -1.947 256 HD2 PHE 35 HD1 PHE 35 -5.668 2.882 -5.693 257 HE1 PHE 35 HE2 PHE 35 -3.696 0.428 -1.914 258 HE2 PHE 35 HE1 PHE 35 -3.260 2.400 -5.668 259 HZ PHE 35 HZ PHE 35 -2.270 1.173 -3.778 260 H GLU 36 H GLU 36 -10.165 2.514 -5.198 261 HA GLU 36 HA GLU 36 -11.929 3.163 -3.159 262 HB2 GLU 36 HB2 GLU 36 -13.567 3.687 -4.922 263 HB3 GLU 36 HB3 GLU 36 -11.966 4.286 -5.329 264 HG2 GLU 36 HG2 GLU 36 -11.629 2.443 -6.866 265 HG3 GLU 36 HG3 GLU 36 -13.174 1.739 -6.400 266 H ASP 37 H ASP 37 -11.711 0.282 -5.006 267 HA ASP 37 HA ASP 37 -14.368 -0.647 -4.367 268 HB2 ASP 37 HB2 ASP 37 -13.461 -0.968 -6.599 269 HB3 ASP 37 HB3 ASP 37 -12.128 -1.900 -5.939 270 H ILE 38 H ILE 38 -11.118 -1.108 -3.242 271 HA ILE 38 HA ILE 38 -11.965 -3.402 -1.637 272 HB ILE 38 HB ILE 38 -9.585 -3.586 -0.917 273 HG12 ILE 38 HG12 ILE 38 -9.132 -1.380 -2.948 274 HG13 ILE 38 HG13 ILE 38 -8.941 -1.234 -1.207 275 HG21 ILE 38 HG21 ILE 38 -10.411 -4.917 -2.746 276 HG22 ILE 38 HG22 ILE 38 -8.742 -4.435 -3.052 277 HG23 ILE 38 HG23 ILE 38 -10.063 -3.616 -3.885 278 HD11 ILE 38 HD11 ILE 38 -7.304 -2.993 -3.019 279 HD12 ILE 38 HD12 ILE 38 -7.103 -2.817 -1.271 280 HD13 ILE 38 HD13 ILE 38 -6.805 -1.446 -2.335 281 H GLY 39 H GLY 39 -12.831 -0.663 -1.230 282 HA2 GLY 39 HA2 GLY 39 -13.558 0.502 0.613 283 HA3 GLY 39 HA3 GLY 39 -12.793 -0.719 1.615 284 H TYR 40 H TYR 40 -10.853 0.928 -0.739 285 HA TYR 40 HA TYR 40 -9.676 2.378 1.462 286 HB2 TYR 40 HB2 TYR 40 -8.439 0.941 -0.777 287 HB3 TYR 40 HB3 TYR 40 -7.743 2.529 -0.453 288 HD1 TYR 40 HD1 TYR 40 -8.974 -0.398 1.526 289 HD2 TYR 40 HD2 TYR 40 -6.025 2.604 1.006 290 HE1 TYR 40 HE1 TYR 40 -7.809 -1.206 3.522 291 HE2 TYR 40 HE2 TYR 40 -4.844 1.805 2.987 292 HH TYR 40 HH TYR 40 -5.745 -1.099 4.606 293 H ASP 41 H ASP 41 -10.455 4.129 1.648 294 HA ASP 41 HA ASP 41 -11.661 5.747 -0.258 295 HB2 ASP 41 HB2 ASP 41 -12.186 5.824 2.103 296 HB3 ASP 41 HB3 ASP 41 -10.525 6.315 2.434 297 H SER 42 H SER 42 -8.754 6.765 1.570 298 HA SER 42 HA SER 42 -7.035 7.187 -0.603 299 HB2 SER 42 HB2 SER 42 -7.172 9.701 -0.764 300 HB3 SER 42 HB3 SER 42 -8.557 8.843 -1.452 301 H LEU 43 H LEU 43 -8.051 8.904 2.329 302 HA LEU 43 HA LEU 43 -5.378 9.492 3.097 303 HB2 LEU 43 HB2 LEU 43 -7.893 9.394 4.768 304 HB3 LEU 43 HB3 LEU 43 -6.349 9.979 5.360 305 HG LEU 43 HG LEU 43 -7.976 11.214 3.132 306 HD11 LEU 43 HD11 LEU 43 -8.941 11.585 5.331 307 HD12 LEU 43 HD12 LEU 43 -8.254 13.075 4.683 308 HD13 LEU 43 HD13 LEU 43 -7.388 12.170 5.924 309 HD21 LEU 43 HD21 LEU 43 -5.370 12.105 4.371 310 HD22 LEU 43 HD22 LEU 43 -6.308 13.006 3.180 311 HD23 LEU 43 HD23 LEU 43 -5.574 11.462 2.742 312 H ALA 44 H ALA 44 -7.576 6.901 3.863 313 HA ALA 44 HA ALA 44 -5.866 5.402 5.547 314 HB1 ALA 44 HB1 ALA 44 -8.264 4.928 5.321 315 HB2 ALA 44 HB2 ALA 44 -7.292 3.491 5.004 316 HB3 ALA 44 HB3 ALA 44 -7.999 4.391 3.661 317 H LEU 45 H LEU 45 -6.068 5.729 2.105 318 HA LEU 45 HA LEU 45 -4.443 3.515 1.351 319 HB2 LEU 45 HB2 LEU 45 -6.036 4.753 -0.095 320 HB3 LEU 45 HB3 LEU 45 -5.016 6.149 -0.076 321 HG LEU 45 HG LEU 45 -4.499 3.480 -1.434 322 HD11 LEU 45 HD11 LEU 45 -5.045 6.222 -2.527 323 HD12 LEU 45 HD12 LEU 45 -6.149 4.842 -2.518 324 HD13 LEU 45 HD13 LEU 45 -4.672 4.786 -3.482 325 HD21 LEU 45 HD21 LEU 45 -2.751 5.953 -1.499 326 HD22 LEU 45 HD22 LEU 45 -2.508 4.485 -2.449 327 HD23 LEU 45 HD23 LEU 45 -2.349 4.436 -0.693 328 H MET 46 H MET 46 -3.863 6.937 1.921 329 HA MET 46 HA MET 46 -1.071 6.959 1.547 330 HB2 MET 46 HB2 MET 46 -2.854 8.738 3.194 331 HB3 MET 46 HB3 MET 46 -1.143 9.041 2.931 332 HG2 MET 46 HG2 MET 46 -1.521 9.134 0.555 333 HG3 MET 46 HG3 MET 46 -3.239 8.819 0.837 334 HE1 MET 46 HE1 MET 46 -3.024 12.595 -0.322 335 HE2 MET 46 HE2 MET 46 -3.676 10.999 -0.694 336 HE3 MET 46 HE3 MET 46 -1.939 11.291 -0.810 337 H GLU 47 H GLU 47 -3.087 6.336 4.277 338 HA GLU 47 HA GLU 47 -1.311 6.225 6.385 339 HB2 GLU 47 HB2 GLU 47 -3.742 6.101 6.397 340 HB3 GLU 47 HB3 GLU 47 -3.678 4.491 5.750 341 HG2 GLU 47 HG2 GLU 47 -4.119 4.363 8.120 342 HG3 GLU 47 HG3 GLU 47 -2.544 3.667 7.756 343 H THR 48 H THR 48 -2.205 3.683 4.056 344 HA THR 48 HA THR 48 -0.541 1.631 4.974 345 HB THR 48 HB THR 48 -1.553 2.323 2.215 346 HG1 THR 48 HG1 THR 48 -2.709 1.358 4.404 347 HG21 THR 48 HG21 THR 48 -0.345 -0.283 3.188 348 HG22 THR 48 HG22 THR 48 0.381 0.840 2.033 349 HG23 THR 48 HG23 THR 48 -1.098 -0.017 1.610 350 H ALA 49 H ALA 49 -0.028 3.976 2.353 351 HA ALA 49 HA ALA 49 2.542 3.221 1.589 352 HB1 ALA 49 HB1 ALA 49 1.092 4.692 0.270 353 HB2 ALA 49 HB2 ALA 49 2.692 5.390 0.508 354 HB3 ALA 49 HB3 ALA 49 1.325 5.975 1.456 355 H ALA 50 H ALA 50 1.542 5.746 3.862 356 HA ALA 50 HA ALA 50 4.122 6.675 4.506 357 HB1 ALA 50 HB1 ALA 50 2.088 7.977 4.837 358 HB2 ALA 50 HB2 ALA 50 3.024 7.835 6.326 359 HB3 ALA 50 HB3 ALA 50 1.577 6.853 6.095 360 H ARG 51 H ARG 51 2.106 4.184 5.813 361 HA ARG 51 HA ARG 51 3.543 3.694 8.169 362 HB2 ARG 51 HB2 ARG 51 1.264 2.904 7.659 363 HB3 ARG 51 HB3 ARG 51 1.946 1.788 6.490 364 HG2 ARG 51 HG2 ARG 51 2.942 0.500 8.158 365 HG3 ARG 51 HG3 ARG 51 2.683 1.753 9.385 366 HD2 ARG 51 HD2 ARG 51 0.554 0.209 7.936 367 HD3 ARG 51 HD3 ARG 51 1.030 0.005 9.627 368 HE ARG 51 HE ARG 51 0.131 2.624 8.739 369 HH11 ARG 51 HH11 ARG 51 -0.557 -0.300 10.628 370 HH12 ARG 51 HH12 ARG 51 -1.843 0.418 11.499 371 HH21 ARG 51 HH21 ARG 51 -1.595 3.583 9.916 372 HH22 ARG 51 HH22 ARG 51 -2.482 2.684 11.051 373 H LEU 52 H LEU 52 3.691 2.252 4.943 374 HA LEU 52 HA LEU 52 5.882 0.603 5.631 375 HB2 LEU 52 HB2 LEU 52 5.040 1.415 2.825 376 HB3 LEU 52 HB3 LEU 52 6.071 0.060 3.264 377 HG LEU 52 HG LEU 52 3.146 0.299 3.906 378 HD11 LEU 52 HD11 LEU 52 2.913 -1.570 2.369 379 HD12 LEU 52 HD12 LEU 52 4.645 -1.526 2.060 380 HD13 LEU 52 HD13 LEU 52 3.629 -0.171 1.554 381 HD21 LEU 52 HD21 LEU 52 5.105 -1.924 4.496 382 HD22 LEU 52 HD22 LEU 52 3.361 -1.990 4.763 383 HD23 LEU 52 HD23 LEU 52 4.354 -0.863 5.687 384 H GLU 53 H GLU 53 5.639 3.902 4.435 385 HA GLU 53 HA GLU 53 8.329 4.415 3.831 386 HB2 GLU 53 HB2 GLU 53 6.441 6.219 5.328 387 HB3 GLU 53 HB3 GLU 53 7.979 6.717 4.670 388 HG2 GLU 53 HG2 GLU 53 7.083 6.246 2.411 389 HG3 GLU 53 HG3 GLU 53 5.513 5.912 3.163 390 H SER 54 H SER 54 6.622 4.739 6.870 391 HA SER 54 HA SER 54 8.792 5.434 8.471 392 HB2 SER 54 HB2 SER 54 6.363 5.704 9.011 393 HB3 SER 54 HB3 SER 54 6.273 3.967 9.284 394 HG SER 54 HG SER 54 7.207 5.969 10.825 395 H ARG 55 H ARG 55 7.225 2.308 7.961 396 HA ARG 55 HA ARG 55 8.849 0.870 9.740 397 HB2 ARG 55 HB2 ARG 55 6.549 0.276 9.020 398 HB3 ARG 55 HB3 ARG 55 7.198 -0.202 7.466 399 HG2 ARG 55 HG2 ARG 55 8.381 -2.026 8.437 400 HG3 ARG 55 HG3 ARG 55 8.039 -1.452 10.073 401 HD2 ARG 55 HD2 ARG 55 6.003 -2.414 8.059 402 HD3 ARG 55 HD3 ARG 55 6.552 -3.299 9.484 403 HE ARG 55 HE ARG 55 5.666 -0.883 10.425 404 HH11 ARG 55 HH11 ARG 55 4.158 -3.644 8.729 405 HH12 ARG 55 HH12 ARG 55 2.587 -3.258 9.295 406 HH21 ARG 55 HH21 ARG 55 3.439 -0.440 11.193 407 HH22 ARG 55 HH22 ARG 55 2.193 -1.483 10.686 408 H TYR 56 H TYR 56 9.295 1.576 6.308 409 HA TYR 56 HA TYR 56 11.614 -0.218 6.410 410 HB2 TYR 56 HB2 TYR 56 9.862 0.382 4.039 411 HB3 TYR 56 HB3 TYR 56 11.384 -0.504 3.953 412 HD1 TYR 56 HD2 TYR 56 11.632 -2.623 5.212 413 HD2 TYR 56 HD1 TYR 56 7.868 -0.710 4.755 414 HE1 TYR 56 HE2 TYR 56 10.516 -4.699 5.852 415 HE2 TYR 56 HE1 TYR 56 6.723 -2.783 5.392 416 HH TYR 56 HH TYR 56 7.128 -5.190 5.528 417 H GLY 57 H GLY 57 10.810 3.045 6.024 418 HA2 GLY 57 HA2 GLY 57 12.335 4.770 5.961 419 HA3 GLY 57 HA3 GLY 57 13.597 3.624 5.530 420 H VAL 58 H VAL 58 10.561 4.850 4.120 421 HA VAL 58 HA VAL 58 12.051 5.402 1.679 422 HB VAL 58 HB VAL 58 10.326 4.574 0.175 423 HG11 VAL 58 HG11 VAL 58 10.486 2.179 0.506 424 HG12 VAL 58 HG12 VAL 58 11.048 2.457 2.154 425 HG13 VAL 58 HG13 VAL 58 12.032 2.991 0.785 426 HG21 VAL 58 HG21 VAL 58 8.825 3.630 2.618 427 HG22 VAL 58 HG22 VAL 58 8.393 3.270 0.946 428 HG23 VAL 58 HG23 VAL 58 8.343 4.932 1.532 429 H SER 59 H SER 59 10.462 6.682 0.092 430 HA SER 59 HA SER 59 8.931 8.553 1.726 431 HB2 SER 59 HB2 SER 59 10.881 9.284 -0.481 432 HB3 SER 59 HB3 SER 59 9.903 10.410 0.459 433 HG SER 59 HG SER 59 11.073 9.920 2.279 434 H ILE 60 H ILE 60 6.934 8.186 1.037 435 HA ILE 60 HA ILE 60 6.402 7.956 -1.854 436 HB ILE 60 HB ILE 60 4.597 7.107 0.449 437 HG12 ILE 60 HG12 ILE 60 6.502 5.577 0.257 438 HG13 ILE 60 HG13 ILE 60 5.020 4.783 -0.265 439 HG21 ILE 60 HG21 ILE 60 4.242 6.738 -2.525 440 HG22 ILE 60 HG22 ILE 60 3.320 7.826 -1.489 441 HG23 ILE 60 HG23 ILE 60 3.183 6.078 -1.277 442 HD11 ILE 60 HD11 ILE 60 5.675 5.125 -2.605 443 HD12 ILE 60 HD12 ILE 60 6.895 4.213 -1.714 444 HD13 ILE 60 HD13 ILE 60 7.156 5.920 -2.067 445 HA PRO 61 HA PRO 61 5.000 12.153 -0.999 446 HB2 PRO 61 HB2 PRO 61 4.521 12.154 -3.908 447 HB3 PRO 61 HB3 PRO 61 5.538 13.221 -2.935 448 HG2 PRO 61 HG2 PRO 61 6.614 11.400 -4.554 449 HG3 PRO 61 HG3 PRO 61 7.335 11.769 -2.977 450 HD2 PRO 61 HD2 PRO 61 5.588 9.465 -3.765 451 HD3 PRO 61 HD3 PRO 61 7.071 9.470 -2.782 452 H ASP 62 H ASP 62 3.082 13.141 -0.862 453 HA ASP 62 HA ASP 62 0.683 11.760 -0.641 454 HB2 ASP 62 HB2 ASP 62 1.219 14.705 -0.975 455 HB3 ASP 62 HB3 ASP 62 -0.419 14.091 -0.856 456 H ASP 63 H ASP 63 1.919 13.563 -3.383 457 HA ASP 63 HA ASP 63 -0.547 13.511 -4.827 458 HB2 ASP 63 HB2 ASP 63 2.261 14.041 -5.807 459 HB3 ASP 63 HB3 ASP 63 0.822 14.195 -6.804 460 H VAL 64 H VAL 64 2.142 11.425 -4.583 461 HA VAL 64 HA VAL 64 1.521 9.806 -6.899 462 HB VAL 64 HB VAL 64 3.215 9.203 -4.475 463 HG11 VAL 64 HG11 VAL 64 2.618 7.210 -5.773 464 HG12 VAL 64 HG12 VAL 64 4.333 7.570 -5.973 465 HG13 VAL 64 HG13 VAL 64 3.188 7.985 -7.251 466 HG21 VAL 64 HG21 VAL 64 4.018 10.381 -7.138 467 HG22 VAL 64 HG22 VAL 64 5.137 9.884 -5.867 468 HG23 VAL 64 HG23 VAL 64 4.012 11.212 -5.582 469 H ALA 65 H ALA 65 1.145 9.530 -3.413 470 HA ALA 65 HA ALA 65 -0.102 7.041 -3.316 471 HB1 ALA 65 HB1 ALA 65 -0.885 7.690 -1.103 472 HB2 ALA 65 HB2 ALA 65 -0.525 9.380 -1.457 473 HB3 ALA 65 HB3 ALA 65 0.785 8.205 -1.347 474 H GLY 66 H GLY 66 -1.477 10.223 -3.975 475 HA2 GLY 66 HA2 GLY 66 -4.176 9.096 -4.018 476 HA3 GLY 66 HA3 GLY 66 -3.754 10.794 -4.200 477 H ARG 67 H ARG 67 -1.743 9.009 -6.107 478 HA ARG 67 HA ARG 67 -3.330 9.628 -8.500 479 HB2 ARG 67 HB2 ARG 67 -1.234 10.763 -8.451 480 HB3 ARG 67 HB3 ARG 67 -0.378 9.293 -8.032 481 HG2 ARG 67 HG2 ARG 67 -0.894 8.387 -10.249 482 HG3 ARG 67 HG3 ARG 67 -1.696 9.907 -10.659 483 HD2 ARG 67 HD2 ARG 67 0.317 11.122 -10.507 484 HD3 ARG 67 HD3 ARG 67 1.154 9.778 -9.727 485 HE ARG 67 HE ARG 67 0.436 8.687 -12.018 486 HH11 ARG 67 HH11 ARG 67 1.948 11.833 -11.436 487 HH12 ARG 67 HH12 ARG 67 2.969 11.776 -12.791 488 HH21 ARG 67 HH21 ARG 67 1.742 8.647 -13.958 489 HH22 ARG 67 HH22 ARG 67 2.776 9.946 -14.333 490 H VAL 68 H VAL 68 -1.907 7.038 -6.734 491 HA VAL 68 HA VAL 68 -1.731 5.267 -8.956 492 HB VAL 68 HB VAL 68 -1.195 3.495 -7.187 493 HG11 VAL 68 HG11 VAL 68 1.036 4.435 -6.770 494 HG12 VAL 68 HG12 VAL 68 0.454 6.024 -7.272 495 HG13 VAL 68 HG13 VAL 68 0.522 4.700 -8.435 496 HG21 VAL 68 HG21 VAL 68 -0.590 4.314 -4.971 497 HG22 VAL 68 HG22 VAL 68 -2.315 4.605 -5.270 498 HG23 VAL 68 HG23 VAL 68 -1.143 5.927 -5.409 499 H ASP 69 H ASP 69 -2.947 3.694 -9.603 500 HA ASP 69 HA ASP 69 -5.766 3.963 -9.021 501 HB2 ASP 69 HB2 ASP 69 -4.361 2.251 -11.082 502 HB3 ASP 69 HB3 ASP 69 -6.073 2.645 -11.035 503 H THR 70 H THR 70 -3.486 1.218 -9.376 504 HA THR 70 HA THR 70 -5.252 -0.213 -7.557 505 HB THR 70 HB THR 70 -4.503 -2.325 -8.648 506 HG1 THR 70 HG1 THR 70 -2.900 -0.558 -10.126 507 HG21 THR 70 HG21 THR 70 -5.742 -0.319 -10.531 508 HG22 THR 70 HG22 THR 70 -6.599 -1.300 -9.342 509 HG23 THR 70 HG23 THR 70 -5.806 -2.073 -10.716 510 HA PRO 71 HA PRO 71 -2.172 -0.774 -4.479 511 HB2 PRO 71 HB2 PRO 71 -2.557 -3.713 -4.786 512 HB3 PRO 71 HB3 PRO 71 -2.595 -2.716 -3.328 513 HG2 PRO 71 HG2 PRO 71 -4.853 -3.577 -4.399 514 HG3 PRO 71 HG3 PRO 71 -4.730 -1.927 -3.757 515 HD2 PRO 71 HD2 PRO 71 -4.716 -2.867 -6.585 516 HD3 PRO 71 HD3 PRO 71 -5.436 -1.407 -5.879 517 H ARG 72 H ARG 72 -1.895 -2.775 -7.341 518 HA ARG 72 HA ARG 72 0.678 -3.761 -7.028 519 HB2 ARG 72 HB2 ARG 72 -0.871 -4.441 -8.823 520 HB3 ARG 72 HB3 ARG 72 -0.622 -2.889 -9.608 521 HG2 ARG 72 HG2 ARG 72 1.700 -3.410 -9.999 522 HG3 ARG 72 HG3 ARG 72 1.543 -4.917 -9.090 523 HD2 ARG 72 HD2 ARG 72 0.075 -4.218 -11.622 524 HD3 ARG 72 HD3 ARG 72 1.460 -5.296 -11.501 525 HE ARG 72 HE ARG 72 0.112 -6.753 -10.106 526 HH11 ARG 72 HH11 ARG 72 -1.593 -4.450 -12.205 527 HH12 ARG 72 HH12 ARG 72 -3.022 -5.297 -12.315 528 HH21 ARG 72 HH21 ARG 72 -1.952 -7.996 -10.150 529 HH22 ARG 72 HH22 ARG 72 -3.224 -7.430 -11.084 530 H GLU 73 H GLU 73 -0.367 -0.637 -8.371 531 HA GLU 73 HA GLU 73 2.192 0.300 -9.067 532 HB2 GLU 73 HB2 GLU 73 -0.347 1.775 -8.391 533 HB3 GLU 73 HB3 GLU 73 1.137 2.627 -8.751 534 HG2 GLU 73 HG2 GLU 73 -0.278 2.564 -10.691 535 HG3 GLU 73 HG3 GLU 73 1.162 1.592 -10.975 536 H LEU 74 H LEU 74 0.390 0.430 -6.102 537 HA LEU 74 HA LEU 74 2.090 2.277 -4.750 538 HB2 LEU 74 HB2 LEU 74 -0.347 1.666 -4.225 539 HB3 LEU 74 HB3 LEU 74 0.264 0.207 -3.496 540 HG LEU 74 HG LEU 74 -0.373 1.930 -1.850 541 HD11 LEU 74 HD11 LEU 74 1.614 1.910 -0.448 542 HD12 LEU 74 HD12 LEU 74 2.574 1.347 -1.819 543 HD13 LEU 74 HD13 LEU 74 1.288 0.332 -1.164 544 HD21 LEU 74 HD21 LEU 74 1.857 3.550 -3.056 545 HD22 LEU 74 HD22 LEU 74 0.978 3.954 -1.580 546 HD23 LEU 74 HD23 LEU 74 0.133 3.915 -3.127 547 H LEU 75 H LEU 75 1.761 -1.249 -4.708 548 HA LEU 75 HA LEU 75 3.843 -1.873 -2.944 549 HB2 LEU 75 HB2 LEU 75 2.120 -3.461 -3.758 550 HB3 LEU 75 HB3 LEU 75 2.886 -3.452 -5.332 551 HG LEU 75 HG LEU 75 4.908 -4.449 -4.336 552 HD11 LEU 75 HD11 LEU 75 4.810 -5.345 -2.063 553 HD12 LEU 75 HD12 LEU 75 3.235 -4.588 -1.833 554 HD13 LEU 75 HD13 LEU 75 4.667 -3.586 -2.075 555 HD21 LEU 75 HD21 LEU 75 3.204 -5.872 -5.344 556 HD22 LEU 75 HD22 LEU 75 2.350 -5.958 -3.804 557 HD23 LEU 75 HD23 LEU 75 3.952 -6.674 -3.964 558 H ASP 76 H ASP 76 3.794 -1.488 -6.429 559 HA ASP 76 HA ASP 76 6.435 -2.091 -7.067 560 HB2 ASP 76 HB2 ASP 76 4.640 -1.913 -8.706 561 HB3 ASP 76 HB3 ASP 76 4.497 -0.193 -8.390 562 H LEU 77 H LEU 77 4.964 0.957 -6.089 563 HA LEU 77 HA LEU 77 7.162 2.697 -6.373 564 HB2 LEU 77 HB2 LEU 77 4.972 2.717 -4.296 565 HB3 LEU 77 HB3 LEU 77 6.029 4.065 -4.609 566 HG LEU 77 HG LEU 77 4.053 2.931 -6.566 567 HD11 LEU 77 HD11 LEU 77 2.966 3.931 -4.645 568 HD12 LEU 77 HD12 LEU 77 2.765 4.944 -6.075 569 HD13 LEU 77 HD13 LEU 77 3.939 5.388 -4.833 570 HD21 LEU 77 HD21 LEU 77 5.966 4.008 -7.645 571 HD22 LEU 77 HD22 LEU 77 5.723 5.446 -6.650 572 HD23 LEU 77 HD23 LEU 77 4.504 4.976 -7.832 573 H ILE 78 H ILE 78 6.006 0.868 -3.589 574 HA ILE 78 HA ILE 78 8.012 1.523 -1.746 575 HB ILE 78 HB ILE 78 6.482 -1.096 -1.949 576 HG12 ILE 78 HG12 ILE 78 4.951 0.832 -1.849 577 HG13 ILE 78 HG13 ILE 78 4.880 -0.114 -0.370 578 HG21 ILE 78 HG21 ILE 78 8.382 -1.286 -0.463 579 HG22 ILE 78 HG22 ILE 78 6.885 -1.276 0.475 580 HG23 ILE 78 HG23 ILE 78 7.887 0.170 0.397 581 HD11 ILE 78 HD11 ILE 78 4.810 2.270 0.091 582 HD12 ILE 78 HD12 ILE 78 6.351 2.492 -0.738 583 HD13 ILE 78 HD13 ILE 78 6.278 1.551 0.752 584 H ASN 79 H ASN 79 7.738 -1.263 -3.928 585 HA ASN 79 HA ASN 79 10.159 -2.532 -3.298 586 HB2 ASN 79 HB2 ASN 79 8.481 -2.561 -5.781 587 HB3 ASN 79 HB3 ASN 79 10.049 -3.337 -5.783 588 HD21 ASN 79 HD21 ASN 79 7.813 -3.307 -3.027 589 HD22 ASN 79 HD22 ASN 79 7.479 -5.008 -3.106 590 H GLY 80 H GLY 80 9.504 -0.109 -5.806 591 HA2 GLY 80 HA2 GLY 80 12.104 -0.080 -6.896 592 HA3 GLY 80 HA3 GLY 80 10.907 1.195 -7.056 593 H ALA 81 H ALA 81 10.639 1.765 -4.297 594 HA ALA 81 HA ALA 81 12.786 3.573 -3.943 595 HB1 ALA 81 HB1 ALA 81 10.684 2.666 -1.981 596 HB2 ALA 81 HB2 ALA 81 10.522 4.006 -3.116 597 HB3 ALA 81 HB3 ALA 81 11.710 4.090 -1.812 598 H LEU 82 H LEU 82 11.892 0.554 -2.357 599 HA LEU 82 HA LEU 82 14.074 0.531 -0.558 600 HB2 LEU 82 HB2 LEU 82 12.219 -1.645 -1.491 601 HB3 LEU 82 HB3 LEU 82 13.473 -1.922 -0.297 602 HG LEU 82 HG LEU 82 11.290 0.136 0.037 603 HD11 LEU 82 HD11 LEU 82 10.249 -1.434 1.577 604 HD12 LEU 82 HD12 LEU 82 11.483 -2.638 1.200 605 HD13 LEU 82 HD13 LEU 82 10.345 -2.132 -0.040 606 HD21 LEU 82 HD21 LEU 82 12.016 0.129 2.351 607 HD22 LEU 82 HD22 LEU 82 13.347 0.559 1.276 608 HD23 LEU 82 HD23 LEU 82 13.263 -1.060 1.973 609 H ALA 83 H ALA 83 13.694 -0.636 -3.808 610 HA ALA 83 HA ALA 83 16.059 -2.169 -3.959 611 HB1 ALA 83 HB1 ALA 83 14.672 -0.626 -6.153 612 HB2 ALA 83 HB2 ALA 83 14.292 -2.277 -5.663 613 HB3 ALA 83 HB3 ALA 83 15.862 -1.907 -6.380 614 H GLU 84 H GLU 84 15.443 1.218 -3.955 615 HA GLU 84 HA GLU 84 18.028 1.897 -5.051 616 HB2 GLU 84 HB2 GLU 84 15.861 3.064 -5.656 617 HB3 GLU 84 HB3 GLU 84 15.857 3.737 -4.034 618 HG2 GLU 84 HG2 GLU 84 16.705 5.297 -5.730 619 HG3 GLU 84 HG3 GLU 84 17.898 4.927 -4.482 620 H ALA 85 H ALA 85 17.199 0.774 -2.183 621 HA ALA 85 HA ALA 85 18.503 2.706 -0.452 622 HB1 ALA 85 HB1 ALA 85 17.569 -0.107 0.146 623 HB2 ALA 85 HB2 ALA 85 16.627 1.363 0.400 624 HB3 ALA 85 HB3 ALA 85 18.097 1.081 1.336 625 H ALA 86 H ALA 86 19.776 1.068 -2.705 626 HA ALA 86 HA ALA 86 22.101 0.123 -1.216 627 HB1 ALA 86 HB1 ALA 86 22.562 -1.318 -3.141 628 HB2 ALA 86 HB2 ALA 86 21.096 -0.736 -3.927 629 HB3 ALA 86 HB3 ALA 86 20.984 -1.675 -2.438 630 H28 SXA 87 H28A SXA 87 -8.436 13.181 0.731 631 H28A SXA 87 H28B SXA 87 -7.323 11.820 0.606 632 H30 SXA 87 H30A SXA 87 -5.643 11.762 -1.198 633 H30A SXA 87 H30B SXA 87 -5.437 13.142 -2.275 634 H30B SXA 87 H30C SXA 87 -6.882 12.139 -2.396 635 H31 SXA 87 H31A SXA 87 -6.900 15.208 -1.958 636 H31A SXA 87 H31B SXA 87 -8.138 15.192 -0.703 637 H31B SXA 87 H31C SXA 87 -8.316 14.169 -2.128 638 H32 SXA 87 H32A SXA 87 -5.292 13.274 0.822 639 HO33 SXA 87 H33A SXA 87 -6.321 15.695 1.154 640 HN36 SXA 87 H36A SXA 87 -4.030 13.691 -1.375 641 H37 SXA 87 H37A SXA 87 -3.424 16.381 -2.182 642 H37A SXA 87 H37B SXA 87 -2.253 15.748 -1.050 643 H38 SXA 87 H38A SXA 87 -1.367 15.332 -3.149 644 H38A SXA 87 H38B SXA 87 -1.929 13.755 -2.551 645 HN41 SXA 87 H41A SXA 87 -4.094 16.187 -3.734 646 H42 SXA 87 H42A SXA 87 -4.190 15.561 -6.471 647 H42A SXA 87 H42B SXA 87 -5.446 14.690 -5.586 648 H43 SXA 87 H43A SXA 87 -6.328 16.810 -6.365 649 H43A SXA 87 H43B SXA 87 -5.005 17.662 -5.546 650 H2 SXA 87 H2C SXA 87 -9.004 18.070 -3.091 651 H2A SXA 87 H2A SXA 87 -8.511 19.762 -3.227 652 H2B SXA 87 H2B SXA 87 -7.654 18.675 -2.123 Start of MODEL 9 1 H1 MET 1 H1 MET 1 18.060 -6.192 -3.830 2 H2 MET 1 H2 MET 1 19.528 -6.504 -3.128 3 H3 MET 1 H3 MET 1 19.484 -6.133 -4.767 4 HA MET 1 HA MET 1 20.252 -4.232 -3.523 5 HB2 MET 1 HB2 MET 1 17.330 -3.857 -4.258 6 HB3 MET 1 HB3 MET 1 18.415 -2.544 -3.849 7 HG2 MET 1 HG2 MET 1 18.206 -2.589 -6.200 8 HG3 MET 1 HG3 MET 1 19.810 -3.199 -5.814 9 HE1 MET 1 HE1 MET 1 16.197 -4.084 -7.079 10 HE2 MET 1 HE2 MET 1 16.312 -5.062 -5.616 11 HE3 MET 1 HE3 MET 1 16.269 -5.843 -7.195 12 H ALA 2 H ALA 2 17.012 -5.182 -2.307 13 HA ALA 2 HA ALA 2 17.890 -4.805 0.405 14 HB1 ALA 2 HB1 ALA 2 15.692 -3.080 -0.763 15 HB2 ALA 2 HB2 ALA 2 17.265 -2.509 -0.206 16 HB3 ALA 2 HB3 ALA 2 16.114 -3.186 0.947 17 H THR 3 H THR 3 15.656 -5.097 1.780 18 HA THR 3 HA THR 3 14.580 -7.604 0.871 19 HB THR 3 HB THR 3 13.842 -5.868 3.250 20 HG1 THR 3 HG1 THR 3 16.105 -7.198 2.670 21 HG21 THR 3 HG21 THR 3 12.211 -7.650 2.739 22 HG22 THR 3 HG22 THR 3 13.079 -8.000 4.234 23 HG23 THR 3 HG23 THR 3 13.509 -8.842 2.743 24 H LEU 4 H LEU 4 13.097 -7.482 -0.734 25 HA LEU 4 HA LEU 4 11.432 -5.119 -1.006 26 HB2 LEU 4 HB2 LEU 4 11.605 -7.575 -2.743 27 HB3 LEU 4 HB3 LEU 4 10.791 -6.073 -3.136 28 HG LEU 4 HG LEU 4 13.763 -6.494 -2.856 29 HD11 LEU 4 HD11 LEU 4 12.052 -5.821 -5.224 30 HD12 LEU 4 HD12 LEU 4 12.838 -7.367 -4.901 31 HD13 LEU 4 HD13 LEU 4 13.811 -5.930 -5.220 32 HD21 LEU 4 HD21 LEU 4 14.008 -4.154 -3.540 33 HD22 LEU 4 HD22 LEU 4 13.149 -4.284 -2.004 34 HD23 LEU 4 HD23 LEU 4 12.255 -3.953 -3.487 35 H LEU 5 H LEU 5 9.117 -5.541 -1.622 36 HA LEU 5 HA LEU 5 8.030 -7.099 0.590 37 HB2 LEU 5 HB2 LEU 5 6.688 -5.060 -1.138 38 HB3 LEU 5 HB3 LEU 5 6.044 -5.790 0.322 39 HG LEU 5 HG LEU 5 8.290 -3.823 0.075 40 HD11 LEU 5 HD11 LEU 5 6.876 -2.495 1.546 41 HD12 LEU 5 HD12 LEU 5 5.658 -3.768 1.521 42 HD13 LEU 5 HD13 LEU 5 6.055 -2.901 0.039 43 HD21 LEU 5 HD21 LEU 5 8.944 -5.531 1.657 44 HD22 LEU 5 HD22 LEU 5 7.400 -5.362 2.498 45 HD23 LEU 5 HD23 LEU 5 8.553 -4.029 2.489 46 H THR 6 H THR 6 6.235 -8.375 0.339 47 HA THR 6 HA THR 6 5.787 -9.365 -2.375 48 HB THR 6 HB THR 6 4.747 -11.339 -1.202 49 HG1 THR 6 HG1 THR 6 5.734 -9.941 1.095 50 HG21 THR 6 HG21 THR 6 6.890 -12.369 -0.554 51 HG22 THR 6 HG22 THR 6 7.645 -10.775 -0.551 52 HG23 THR 6 HG23 THR 6 7.036 -11.461 -2.058 53 H THR 7 H THR 7 3.423 -10.387 -2.392 54 HA THR 7 HA THR 7 1.433 -8.444 -2.336 55 HB THR 7 HB THR 7 1.284 -11.461 -2.064 56 HG1 THR 7 HG1 THR 7 0.711 -11.004 -4.443 57 HG21 THR 7 HG21 THR 7 -0.826 -9.493 -2.984 58 HG22 THR 7 HG22 THR 7 -0.864 -10.406 -1.478 59 HG23 THR 7 HG23 THR 7 -0.978 -11.247 -3.020 60 H ASP 8 H ASP 8 2.371 -10.890 0.050 61 HA ASP 8 HA ASP 8 0.324 -10.508 1.917 62 HB2 ASP 8 HB2 ASP 8 1.926 -12.429 1.860 63 HB3 ASP 8 HB3 ASP 8 3.148 -11.359 2.542 64 H ASP 9 H ASP 9 3.469 -8.944 1.666 65 HA ASP 9 HA ASP 9 3.428 -7.461 4.090 66 HB2 ASP 9 HB2 ASP 9 4.742 -6.829 1.445 67 HB3 ASP 9 HB3 ASP 9 5.055 -5.869 2.864 68 H LEU 10 H LEU 10 2.527 -6.664 0.818 69 HA LEU 10 HA LEU 10 1.610 -4.052 1.191 70 HB2 LEU 10 HB2 LEU 10 2.145 -5.046 -0.969 71 HB3 LEU 10 HB3 LEU 10 0.812 -6.166 -0.801 72 HG LEU 10 HG LEU 10 -0.757 -4.251 -0.911 73 HD11 LEU 10 HD11 LEU 10 0.730 -2.492 -0.114 74 HD12 LEU 10 HD12 LEU 10 0.061 -2.091 -1.694 75 HD13 LEU 10 HD13 LEU 10 1.724 -2.664 -1.560 76 HD21 LEU 10 HD21 LEU 10 -0.231 -5.576 -2.872 77 HD22 LEU 10 HD22 LEU 10 1.163 -4.546 -3.209 78 HD23 LEU 10 HD23 LEU 10 -0.467 -3.884 -3.311 79 H ARG 11 H ARG 11 -0.151 -7.120 1.034 80 HA ARG 11 HA ARG 11 -2.745 -6.284 1.421 81 HB2 ARG 11 HB2 ARG 11 -2.187 -8.578 0.829 82 HB3 ARG 11 HB3 ARG 11 -1.431 -8.819 2.399 83 HG2 ARG 11 HG2 ARG 11 -3.563 -8.649 3.504 84 HG3 ARG 11 HG3 ARG 11 -4.354 -8.221 1.988 85 HD2 ARG 11 HD2 ARG 11 -4.753 -10.559 2.560 86 HD3 ARG 11 HD3 ARG 11 -3.824 -10.414 1.076 87 HE ARG 11 HE ARG 11 -1.838 -10.868 2.594 88 HH11 ARG 11 HH11 ARG 11 -5.060 -12.225 3.144 89 HH12 ARG 11 HH12 ARG 11 -4.495 -13.632 3.914 90 HH21 ARG 11 HH21 ARG 11 -1.045 -12.823 3.689 91 HH22 ARG 11 HH22 ARG 11 -2.172 -13.979 4.203 92 H ARG 12 H ARG 12 -0.503 -7.361 3.948 93 HA ARG 12 HA ARG 12 -2.207 -6.897 6.104 94 HB2 ARG 12 HB2 ARG 12 0.794 -6.926 5.972 95 HB3 ARG 12 HB3 ARG 12 -0.111 -6.847 7.484 96 HG2 ARG 12 HG2 ARG 12 -1.154 -8.997 6.945 97 HG3 ARG 12 HG3 ARG 12 -0.225 -9.060 5.446 98 HD2 ARG 12 HD2 ARG 12 0.828 -10.396 7.178 99 HD3 ARG 12 HD3 ARG 12 1.847 -9.028 6.735 100 HE ARG 12 HE ARG 12 0.125 -8.506 8.966 101 HH11 ARG 12 HH11 ARG 12 3.303 -9.737 7.994 102 HH12 ARG 12 HH12 ARG 12 3.985 -9.562 9.543 103 HH21 ARG 12 HH21 ARG 12 1.070 -8.321 11.114 104 HH22 ARG 12 HH22 ARG 12 2.676 -8.796 11.366 105 H ALA 13 H ALA 13 0.211 -4.750 4.653 106 HA ALA 13 HA ALA 13 -0.033 -2.651 6.488 107 HB1 ALA 13 HB1 ALA 13 1.820 -2.843 4.905 108 HB2 ALA 13 HB2 ALA 13 1.032 -1.271 4.790 109 HB3 ALA 13 HB3 ALA 13 0.713 -2.508 3.573 110 H LEU 14 H LEU 14 -1.756 -3.358 3.511 111 HA LEU 14 HA LEU 14 -3.284 -1.000 3.373 112 HB2 LEU 14 HB2 LEU 14 -3.759 -3.771 2.298 113 HB3 LEU 14 HB3 LEU 14 -4.845 -2.437 1.981 114 HG LEU 14 HG LEU 14 -1.936 -2.469 1.168 115 HD11 LEU 14 HD11 LEU 14 -2.784 -2.887 -1.084 116 HD12 LEU 14 HD12 LEU 14 -4.426 -3.009 -0.450 117 HD13 LEU 14 HD13 LEU 14 -3.212 -4.207 0.003 118 HD21 LEU 14 HD21 LEU 14 -2.938 -0.242 1.484 119 HD22 LEU 14 HD22 LEU 14 -4.238 -0.692 0.391 120 HD23 LEU 14 HD23 LEU 14 -2.583 -0.576 -0.213 121 H VAL 15 H VAL 15 -3.961 -4.166 4.780 122 HA VAL 15 HA VAL 15 -6.589 -3.633 5.633 123 HB VAL 15 HB VAL 15 -4.545 -5.554 6.829 124 HG11 VAL 15 HG11 VAL 15 -7.546 -5.474 7.204 125 HG12 VAL 15 HG12 VAL 15 -6.343 -5.082 8.431 126 HG13 VAL 15 HG13 VAL 15 -6.466 -6.729 7.810 127 HG21 VAL 15 HG21 VAL 15 -5.060 -6.016 4.490 128 HG22 VAL 15 HG22 VAL 15 -6.786 -6.017 4.858 129 HG23 VAL 15 HG23 VAL 15 -5.739 -7.264 5.536 130 H GLU 16 H GLU 16 -3.581 -3.608 7.522 131 HA GLU 16 HA GLU 16 -4.558 -2.716 9.940 132 HB2 GLU 16 HB2 GLU 16 -1.890 -2.255 8.647 133 HB3 GLU 16 HB3 GLU 16 -2.242 -1.803 10.303 134 HG2 GLU 16 HG2 GLU 16 -2.666 -4.111 10.877 135 HG3 GLU 16 HG3 GLU 16 -2.435 -4.589 9.193 136 H SER 17 H SER 17 -3.473 -0.712 7.217 137 HA SER 17 HA SER 17 -3.777 1.707 8.721 138 HB2 SER 17 HB2 SER 17 -3.346 1.371 5.766 139 HB3 SER 17 HB3 SER 17 -3.023 2.810 6.736 140 HG SER 17 HG SER 17 -1.666 0.414 6.530 141 H ALA 18 H ALA 18 -5.930 -0.207 6.810 142 HA ALA 18 HA ALA 18 -7.618 1.935 5.937 143 HB1 ALA 18 HB1 ALA 18 -7.577 -0.224 4.766 144 HB2 ALA 18 HB2 ALA 18 -9.204 0.178 5.316 145 HB3 ALA 18 HB3 ALA 18 -8.245 -1.010 6.196 146 H GLY 19 H GLY 19 -7.395 -0.062 8.720 147 HA2 GLY 19 HA2 GLY 19 -8.431 1.424 10.626 148 HA3 GLY 19 HA3 GLY 19 -9.909 0.930 9.800 149 H GLU 20 H GLU 20 -6.867 -0.588 10.803 150 HA GLU 20 HA GLU 20 -6.367 -2.430 11.970 151 HB2 GLU 20 HB2 GLU 20 -9.228 -2.234 12.952 152 HB3 GLU 20 HB3 GLU 20 -8.017 -3.317 13.619 153 HG2 GLU 20 HG2 GLU 20 -6.708 -1.475 14.402 154 HG3 GLU 20 HG3 GLU 20 -7.750 -0.323 13.567 155 H THR 21 H THR 21 -7.681 -4.795 12.483 156 HA THR 21 HA THR 21 -7.680 -5.992 9.948 157 HB THR 21 HB THR 21 -8.554 -7.893 11.693 158 HG1 THR 21 HG1 THR 21 -8.605 -6.437 13.438 159 HG21 THR 21 HG21 THR 21 -6.531 -8.008 10.284 160 HG22 THR 21 HG22 THR 21 -6.168 -8.481 11.942 161 HG23 THR 21 HG23 THR 21 -5.712 -6.878 11.362 162 H ASP 22 H ASP 22 -9.380 -4.805 9.035 163 HA ASP 22 HA ASP 22 -12.121 -5.114 9.762 164 HB2 ASP 22 HB2 ASP 22 -11.507 -3.255 8.354 165 HB3 ASP 22 HB3 ASP 22 -10.888 -4.339 7.112 166 H GLY 23 H GLY 23 -10.028 -6.880 7.601 167 HA2 GLY 23 HA2 GLY 23 -10.266 -9.079 6.884 168 HA3 GLY 23 HA3 GLY 23 -11.873 -9.110 7.605 169 H THR 24 H THR 24 -10.049 -7.786 4.860 170 HA THR 24 HA THR 24 -12.518 -7.400 3.430 171 HB THR 24 HB THR 24 -10.839 -6.440 1.714 172 HG1 THR 24 HG1 THR 24 -8.905 -5.697 2.971 173 HG21 THR 24 HG21 THR 24 -11.109 -5.124 4.428 174 HG22 THR 24 HG22 THR 24 -12.283 -5.020 3.114 175 HG23 THR 24 HG23 THR 24 -10.679 -4.306 2.925 176 H ASP 25 H ASP 25 -12.080 -7.875 0.926 177 HA ASP 25 HA ASP 25 -11.404 -10.731 0.690 178 HB2 ASP 25 HB2 ASP 25 -12.666 -10.767 -1.393 179 HB3 ASP 25 HB3 ASP 25 -13.646 -9.970 -0.188 180 H LEU 26 H LEU 26 -9.533 -8.734 1.017 181 HA LEU 26 HA LEU 26 -8.200 -8.003 -1.433 182 HB2 LEU 26 HB2 LEU 26 -8.468 -6.666 0.719 183 HB3 LEU 26 HB3 LEU 26 -7.292 -7.748 1.423 184 HG LEU 26 HG LEU 26 -5.704 -6.978 -0.404 185 HD11 LEU 26 HD11 LEU 26 -7.808 -4.846 -0.674 186 HD12 LEU 26 HD12 LEU 26 -7.367 -6.035 -1.900 187 HD13 LEU 26 HD13 LEU 26 -6.202 -4.808 -1.402 188 HD21 LEU 26 HD21 LEU 26 -5.528 -6.267 1.919 189 HD22 LEU 26 HD22 LEU 26 -6.700 -4.982 1.622 190 HD23 LEU 26 HD23 LEU 26 -5.129 -4.944 0.824 191 H SER 27 H SER 27 -8.239 -10.709 -1.482 192 HA SER 27 HA SER 27 -5.477 -11.411 -0.800 193 HB2 SER 27 HB2 SER 27 -7.007 -12.462 0.824 194 HB3 SER 27 HB3 SER 27 -7.847 -13.277 -0.505 195 HG SER 27 HG SER 27 -6.412 -14.774 0.087 196 H GLY 28 H GLY 28 -4.417 -12.718 -2.287 197 HA2 GLY 28 HA2 GLY 28 -4.285 -14.012 -4.283 198 HA3 GLY 28 HA3 GLY 28 -5.862 -13.376 -4.760 199 H ASP 29 H ASP 29 -5.457 -12.332 -6.639 200 HA ASP 29 HA ASP 29 -3.212 -10.445 -6.599 201 HB2 ASP 29 HB2 ASP 29 -3.394 -11.941 -8.627 202 HB3 ASP 29 HB3 ASP 29 -4.911 -11.137 -9.020 203 H PHE 30 H PHE 30 -4.380 -9.272 -5.065 204 HA PHE 30 HA PHE 30 -6.683 -7.794 -5.984 205 HB2 PHE 30 HB2 PHE 30 -6.552 -6.630 -3.796 206 HB3 PHE 30 HB3 PHE 30 -6.603 -8.378 -3.632 207 HD1 PHE 30 HD1 PHE 30 -4.461 -5.408 -3.392 208 HD2 PHE 30 HD2 PHE 30 -4.792 -9.572 -2.630 209 HE1 PHE 30 HE1 PHE 30 -2.436 -5.321 -2.015 210 HE2 PHE 30 HE2 PHE 30 -2.773 -9.487 -1.247 211 HZ PHE 30 HZ PHE 30 -1.624 -7.357 -0.893 212 H LEU 31 H LEU 31 -3.465 -7.621 -6.391 213 HA LEU 31 HA LEU 31 -2.789 -4.946 -6.178 214 HB2 LEU 31 HB2 LEU 31 -1.603 -6.941 -8.142 215 HB3 LEU 31 HB3 LEU 31 -1.029 -5.360 -7.824 216 HG LEU 31 HG LEU 31 -0.513 -5.911 -5.487 217 HD11 LEU 31 HD11 LEU 31 -1.260 -8.731 -6.221 218 HD12 LEU 31 HD12 LEU 31 -2.054 -7.689 -5.030 219 HD13 LEU 31 HD13 LEU 31 -0.404 -8.238 -4.758 220 HD21 LEU 31 HD21 LEU 31 1.199 -6.029 -7.175 221 HD22 LEU 31 HD22 LEU 31 0.762 -7.701 -7.537 222 HD23 LEU 31 HD23 LEU 31 1.447 -7.285 -5.962 223 H ASP 32 H ASP 32 -4.617 -6.520 -8.646 224 HA ASP 32 HA ASP 32 -4.378 -4.223 -10.433 225 HB2 ASP 32 HB2 ASP 32 -4.172 -6.573 -11.260 226 HB3 ASP 32 HB3 ASP 32 -5.857 -6.827 -10.831 227 H LEU 33 H LEU 33 -6.233 -4.999 -7.835 228 HA LEU 33 HA LEU 33 -8.787 -4.218 -8.920 229 HB2 LEU 33 HB2 LEU 33 -7.975 -4.839 -6.087 230 HB3 LEU 33 HB3 LEU 33 -9.610 -4.534 -6.631 231 HG LEU 33 HG LEU 33 -7.878 -6.891 -7.365 232 HD11 LEU 33 HD11 LEU 33 -10.395 -6.672 -5.743 233 HD12 LEU 33 HD12 LEU 33 -8.771 -6.988 -5.125 234 HD13 LEU 33 HD13 LEU 33 -9.567 -8.173 -6.162 235 HD21 LEU 33 HD21 LEU 33 -10.694 -6.230 -8.246 236 HD22 LEU 33 HD22 LEU 33 -9.845 -7.743 -8.566 237 HD23 LEU 33 HD23 LEU 33 -9.259 -6.237 -9.272 238 H ARG 34 H ARG 34 -9.851 -2.383 -8.397 239 HA ARG 34 HA ARG 34 -8.175 -0.087 -7.925 240 HB2 ARG 34 HB2 ARG 34 -11.130 -0.333 -8.412 241 HB3 ARG 34 HB3 ARG 34 -10.288 1.190 -8.197 242 HG2 ARG 34 HG2 ARG 34 -8.958 0.708 -10.203 243 HG3 ARG 34 HG3 ARG 34 -9.875 -0.789 -10.425 244 HD2 ARG 34 HD2 ARG 34 -11.938 0.468 -10.574 245 HD3 ARG 34 HD3 ARG 34 -11.069 1.967 -10.269 246 HE ARG 34 HE ARG 34 -10.211 0.455 -12.571 247 HH11 ARG 34 HH11 ARG 34 -12.227 3.120 -11.320 248 HH12 ARG 34 HH12 ARG 34 -12.508 3.821 -12.840 249 HH21 ARG 34 HH21 ARG 34 -10.546 1.474 -14.673 250 HH22 ARG 34 HH22 ARG 34 -11.494 2.896 -14.776 251 H PHE 35 H PHE 35 -7.845 0.839 -6.074 252 HA PHE 35 HA PHE 35 -8.779 0.111 -3.586 253 HB2 PHE 35 HB2 PHE 35 -7.801 2.797 -4.522 254 HB3 PHE 35 HB3 PHE 35 -8.221 2.479 -2.847 255 HD1 PHE 35 HD2 PHE 35 -7.037 0.408 -1.788 256 HD2 PHE 35 HD1 PHE 35 -5.636 2.483 -5.212 257 HE1 PHE 35 HE2 PHE 35 -4.776 -0.418 -1.352 258 HE2 PHE 35 HE1 PHE 35 -3.359 1.662 -4.778 259 HZ PHE 35 HZ PHE 35 -2.926 0.213 -2.842 260 H GLU 36 H GLU 36 -10.251 2.431 -5.800 261 HA GLU 36 HA GLU 36 -12.215 3.491 -4.137 262 HB2 GLU 36 HB2 GLU 36 -13.478 4.092 -6.129 263 HB3 GLU 36 HB3 GLU 36 -11.770 4.335 -6.436 264 HG2 GLU 36 HG2 GLU 36 -11.675 2.305 -7.754 265 HG3 GLU 36 HG3 GLU 36 -13.350 1.934 -7.358 266 H ASP 37 H ASP 37 -12.159 0.408 -5.775 267 HA ASP 37 HA ASP 37 -14.970 -0.088 -5.298 268 HB2 ASP 37 HB2 ASP 37 -13.955 -0.760 -7.426 269 HB3 ASP 37 HB3 ASP 37 -12.847 -1.822 -6.573 270 H ILE 38 H ILE 38 -11.932 -0.852 -3.873 271 HA ILE 38 HA ILE 38 -13.173 -2.931 -2.250 272 HB ILE 38 HB ILE 38 -10.875 -3.422 -1.388 273 HG12 ILE 38 HG12 ILE 38 -10.042 -1.382 -3.473 274 HG13 ILE 38 HG13 ILE 38 -9.899 -1.193 -1.731 275 HG21 ILE 38 HG21 ILE 38 -11.804 -4.701 -3.234 276 HG22 ILE 38 HG22 ILE 38 -10.070 -4.472 -3.465 277 HG23 ILE 38 HG23 ILE 38 -11.218 -3.499 -4.385 278 HD11 ILE 38 HD11 ILE 38 -8.439 -3.214 -3.420 279 HD12 ILE 38 HD12 ILE 38 -8.286 -3.027 -1.673 280 HD13 ILE 38 HD13 ILE 38 -7.764 -1.730 -2.747 281 H GLY 39 H GLY 39 -13.392 0.089 -2.023 282 HA2 GLY 39 HA2 GLY 39 -14.009 1.488 -0.313 283 HA3 GLY 39 HA3 GLY 39 -13.916 0.102 0.757 284 H TYR 40 H TYR 40 -11.356 1.624 -1.141 285 HA TYR 40 HA TYR 40 -10.028 2.251 1.390 286 HB2 TYR 40 HB2 TYR 40 -8.922 1.299 -1.218 287 HB3 TYR 40 HB3 TYR 40 -7.951 2.347 -0.205 288 HD1 TYR 40 HD1 TYR 40 -10.134 -0.619 0.264 289 HD2 TYR 40 HD2 TYR 40 -6.431 1.258 1.131 290 HE1 TYR 40 HE1 TYR 40 -9.485 -2.566 1.528 291 HE2 TYR 40 HE2 TYR 40 -5.726 -0.700 2.424 292 HH TYR 40 HH TYR 40 -7.405 -3.643 2.271 293 H ASP 41 H ASP 41 -10.159 4.249 1.861 294 HA ASP 41 HA ASP 41 -10.515 6.286 -0.155 295 HB2 ASP 41 HB2 ASP 41 -10.153 6.436 2.819 296 HB3 ASP 41 HB3 ASP 41 -10.310 7.834 1.775 297 H SER 42 H SER 42 -9.102 8.033 -0.403 298 HA SER 42 HA SER 42 -6.477 7.572 -0.816 299 HB2 SER 42 HB2 SER 42 -6.685 10.215 0.026 300 HB3 SER 42 HB3 SER 42 -6.601 9.613 -1.628 301 H LEU 43 H LEU 43 -7.857 8.865 2.215 302 HA LEU 43 HA LEU 43 -5.390 9.392 3.463 303 HB2 LEU 43 HB2 LEU 43 -8.007 8.632 4.731 304 HB3 LEU 43 HB3 LEU 43 -6.594 9.110 5.641 305 HG LEU 43 HG LEU 43 -8.088 10.854 3.689 306 HD11 LEU 43 HD11 LEU 43 -8.812 12.021 5.716 307 HD12 LEU 43 HD12 LEU 43 -7.978 10.816 6.700 308 HD13 LEU 43 HD13 LEU 43 -9.355 10.341 5.705 309 HD21 LEU 43 HD21 LEU 43 -5.697 11.402 3.835 310 HD22 LEU 43 HD22 LEU 43 -5.824 11.478 5.593 311 HD23 LEU 43 HD23 LEU 43 -6.691 12.645 4.593 312 H ALA 44 H ALA 44 -7.458 6.525 3.910 313 HA ALA 44 HA ALA 44 -5.640 5.063 5.447 314 HB1 ALA 44 HB1 ALA 44 -7.709 3.993 3.521 315 HB2 ALA 44 HB2 ALA 44 -8.004 4.455 5.198 316 HB3 ALA 44 HB3 ALA 44 -6.946 3.093 4.831 317 H LEU 45 H LEU 45 -5.976 5.389 2.003 318 HA LEU 45 HA LEU 45 -4.200 3.365 1.178 319 HB2 LEU 45 HB2 LEU 45 -5.975 4.605 -0.101 320 HB3 LEU 45 HB3 LEU 45 -4.909 5.961 -0.230 321 HG LEU 45 HG LEU 45 -4.551 3.216 -1.456 322 HD11 LEU 45 HD11 LEU 45 -6.286 4.492 -2.445 323 HD12 LEU 45 HD12 LEU 45 -4.917 4.385 -3.554 324 HD13 LEU 45 HD13 LEU 45 -5.218 5.884 -2.654 325 HD21 LEU 45 HD21 LEU 45 -2.664 4.149 -2.695 326 HD22 LEU 45 HD22 LEU 45 -2.355 4.198 -0.958 327 HD23 LEU 45 HD23 LEU 45 -2.823 5.670 -1.813 328 H MET 46 H MET 46 -3.732 6.900 1.544 329 HA MET 46 HA MET 46 -0.940 6.932 1.050 330 HB2 MET 46 HB2 MET 46 -2.652 8.864 2.628 331 HB3 MET 46 HB3 MET 46 -0.960 9.139 2.246 332 HG2 MET 46 HG2 MET 46 -1.493 9.132 -0.117 333 HG3 MET 46 HG3 MET 46 -3.194 8.844 0.253 334 HE1 MET 46 HE1 MET 46 -3.623 10.686 2.824 335 HE2 MET 46 HE2 MET 46 -4.758 10.623 1.475 336 HE3 MET 46 HE3 MET 46 -4.184 12.180 2.074 337 H GLU 47 H GLU 47 -2.833 6.533 3.936 338 HA GLU 47 HA GLU 47 -0.700 6.768 5.764 339 HB2 GLU 47 HB2 GLU 47 -3.229 6.985 6.101 340 HB3 GLU 47 HB3 GLU 47 -3.229 5.235 6.258 341 HG2 GLU 47 HG2 GLU 47 -1.708 5.376 8.126 342 HG3 GLU 47 HG3 GLU 47 -1.637 7.128 7.950 343 H THR 48 H THR 48 -2.041 4.119 3.933 344 HA THR 48 HA THR 48 -0.724 1.939 5.118 345 HB THR 48 HB THR 48 -1.534 2.500 2.257 346 HG1 THR 48 HG1 THR 48 -3.274 2.282 3.674 347 HG21 THR 48 HG21 THR 48 -0.568 -0.110 3.444 348 HG22 THR 48 HG22 THR 48 0.252 0.865 2.211 349 HG23 THR 48 HG23 THR 48 -1.288 0.081 1.842 350 H ALA 49 H ALA 49 0.146 4.026 2.391 351 HA ALA 49 HA ALA 49 2.675 3.029 1.867 352 HB1 ALA 49 HB1 ALA 49 1.481 4.560 0.369 353 HB2 ALA 49 HB2 ALA 49 3.093 5.165 0.750 354 HB3 ALA 49 HB3 ALA 49 1.680 5.860 1.544 355 H ALA 50 H ALA 50 1.647 5.664 3.972 356 HA ALA 50 HA ALA 50 4.086 6.527 4.960 357 HB1 ALA 50 HB1 ALA 50 1.477 6.380 6.434 358 HB2 ALA 50 HB2 ALA 50 1.966 7.663 5.326 359 HB3 ALA 50 HB3 ALA 50 2.845 7.414 6.836 360 H ARG 51 H ARG 51 2.064 3.892 6.105 361 HA ARG 51 HA ARG 51 3.546 3.285 8.424 362 HB2 ARG 51 HB2 ARG 51 1.236 2.469 8.025 363 HB3 ARG 51 HB3 ARG 51 1.820 1.463 6.716 364 HG2 ARG 51 HG2 ARG 51 3.043 0.073 8.255 365 HG3 ARG 51 HG3 ARG 51 2.665 1.157 9.593 366 HD2 ARG 51 HD2 ARG 51 0.655 -0.452 7.999 367 HD3 ARG 51 HD3 ARG 51 1.225 -0.834 9.625 368 HE ARG 51 HE ARG 51 -0.240 1.635 8.971 369 HH11 ARG 51 HH11 ARG 51 0.000 -1.296 10.986 370 HH12 ARG 51 HH12 ARG 51 -0.957 -0.660 12.226 371 HH21 ARG 51 HH21 ARG 51 -1.547 2.479 10.680 372 HH22 ARG 51 HH22 ARG 51 -1.810 1.576 12.100 373 H LEU 52 H LEU 52 3.675 2.052 5.129 374 HA LEU 52 HA LEU 52 5.891 0.360 5.628 375 HB2 LEU 52 HB2 LEU 52 4.849 1.415 2.992 376 HB3 LEU 52 HB3 LEU 52 6.066 0.162 3.168 377 HG LEU 52 HG LEU 52 3.201 -0.053 4.085 378 HD11 LEU 52 HD11 LEU 52 2.982 -1.697 2.304 379 HD12 LEU 52 HD12 LEU 52 4.649 -1.409 1.826 380 HD13 LEU 52 HD13 LEU 52 3.449 -0.128 1.638 381 HD21 LEU 52 HD21 LEU 52 5.443 -2.078 4.126 382 HD22 LEU 52 HD22 LEU 52 3.758 -2.394 4.541 383 HD23 LEU 52 HD23 LEU 52 4.719 -1.299 5.534 384 H GLU 53 H GLU 53 5.599 3.712 4.613 385 HA GLU 53 HA GLU 53 8.203 4.268 3.828 386 HB2 GLU 53 HB2 GLU 53 6.284 6.033 5.340 387 HB3 GLU 53 HB3 GLU 53 7.804 6.616 4.691 388 HG2 GLU 53 HG2 GLU 53 6.977 6.031 2.424 389 HG3 GLU 53 HG3 GLU 53 5.436 5.574 3.147 390 H SER 54 H SER 54 6.827 4.708 7.051 391 HA SER 54 HA SER 54 9.268 5.305 8.286 392 HB2 SER 54 HB2 SER 54 6.768 4.179 9.542 393 HB3 SER 54 HB3 SER 54 8.036 5.104 10.348 394 HG SER 54 HG SER 54 7.319 6.609 8.347 395 H ARG 55 H ARG 55 7.539 2.250 7.885 396 HA ARG 55 HA ARG 55 9.166 0.698 9.599 397 HB2 ARG 55 HB2 ARG 55 6.951 -0.042 9.035 398 HB3 ARG 55 HB3 ARG 55 7.350 -0.105 7.329 399 HG2 ARG 55 HG2 ARG 55 8.849 -1.977 7.722 400 HG3 ARG 55 HG3 ARG 55 8.539 -1.882 9.459 401 HD2 ARG 55 HD2 ARG 55 6.215 -2.414 9.111 402 HD3 ARG 55 HD3 ARG 55 6.432 -2.369 7.364 403 HE ARG 55 HE ARG 55 8.177 -4.262 8.546 404 HH11 ARG 55 HH11 ARG 55 4.705 -3.842 7.879 405 HH12 ARG 55 HH12 ARG 55 4.446 -5.470 7.458 406 HH21 ARG 55 HH21 ARG 55 7.761 -6.561 8.074 407 HH22 ARG 55 HH22 ARG 55 6.219 -7.044 7.595 408 H TYR 56 H TYR 56 9.233 0.983 6.028 409 HA TYR 56 HA TYR 56 11.635 -0.665 6.069 410 HB2 TYR 56 HB2 TYR 56 9.720 0.004 3.868 411 HB3 TYR 56 HB3 TYR 56 11.269 -0.771 3.565 412 HD1 TYR 56 HD2 TYR 56 11.748 -2.942 4.816 413 HD2 TYR 56 HD1 TYR 56 7.853 -1.276 4.445 414 HE1 TYR 56 HE2 TYR 56 10.781 -5.140 5.299 415 HE2 TYR 56 HE1 TYR 56 6.860 -3.454 4.918 416 HH TYR 56 HH TYR 56 7.525 -5.915 4.786 417 H GLY 57 H GLY 57 10.759 2.617 5.561 418 HA2 GLY 57 HA2 GLY 57 12.353 4.311 5.419 419 HA3 GLY 57 HA3 GLY 57 13.548 3.119 4.910 420 H VAL 58 H VAL 58 10.537 4.590 3.845 421 HA VAL 58 HA VAL 58 11.738 5.053 1.252 422 HB VAL 58 HB VAL 58 9.765 4.421 -0.041 423 HG11 VAL 58 HG11 VAL 58 10.567 2.169 1.747 424 HG12 VAL 58 HG12 VAL 58 11.375 2.675 0.254 425 HG13 VAL 58 HG13 VAL 58 9.738 2.004 0.198 426 HG21 VAL 58 HG21 VAL 58 8.531 3.497 2.543 427 HG22 VAL 58 HG22 VAL 58 7.856 3.236 0.935 428 HG23 VAL 58 HG23 VAL 58 8.018 4.874 1.570 429 H SER 59 H SER 59 10.032 6.509 -0.045 430 HA SER 59 HA SER 59 8.777 8.383 1.779 431 HB2 SER 59 HB2 SER 59 11.215 9.050 1.209 432 HB3 SER 59 HB3 SER 59 10.652 9.255 -0.444 433 HG SER 59 HG SER 59 10.120 10.719 1.857 434 H ILE 60 H ILE 60 6.768 8.389 1.017 435 HA ILE 60 HA ILE 60 6.355 7.984 -1.879 436 HB ILE 60 HB ILE 60 4.383 7.424 0.361 437 HG12 ILE 60 HG12 ILE 60 6.187 5.793 0.393 438 HG13 ILE 60 HG13 ILE 60 4.712 5.032 -0.193 439 HG21 ILE 60 HG21 ILE 60 4.162 6.868 -2.598 440 HG22 ILE 60 HG22 ILE 60 3.246 8.070 -1.686 441 HG23 ILE 60 HG23 ILE 60 3.005 6.352 -1.369 442 HD11 ILE 60 HD11 ILE 60 7.034 5.971 -1.882 443 HD12 ILE 60 HD12 ILE 60 5.559 5.222 -2.495 444 HD13 ILE 60 HD13 ILE 60 6.653 4.300 -1.463 445 HA PRO 61 HA PRO 61 4.951 12.267 -1.728 446 HB2 PRO 61 HB2 PRO 61 4.393 11.717 -4.584 447 HB3 PRO 61 HB3 PRO 61 5.406 12.975 -3.870 448 HG2 PRO 61 HG2 PRO 61 6.475 10.891 -5.163 449 HG3 PRO 61 HG3 PRO 61 7.252 11.595 -3.732 450 HD2 PRO 61 HD2 PRO 61 5.610 9.109 -3.970 451 HD3 PRO 61 HD3 PRO 61 7.096 9.397 -3.036 452 H ASP 62 H ASP 62 2.973 12.802 -1.151 453 HA ASP 62 HA ASP 62 0.812 11.008 -1.110 454 HB2 ASP 62 HB2 ASP 62 -0.561 12.735 -0.152 455 HB3 ASP 62 HB3 ASP 62 1.052 12.863 0.526 456 H ASP 63 H ASP 63 1.638 13.357 -3.538 457 HA ASP 63 HA ASP 63 -0.967 13.454 -4.735 458 HB2 ASP 63 HB2 ASP 63 0.752 15.208 -5.128 459 HB3 ASP 63 HB3 ASP 63 1.734 14.036 -5.992 460 H VAL 64 H VAL 64 1.843 11.480 -5.047 461 HA VAL 64 HA VAL 64 0.960 9.955 -7.348 462 HB VAL 64 HB VAL 64 2.993 9.190 -5.231 463 HG11 VAL 64 HG11 VAL 64 2.273 7.324 -6.615 464 HG12 VAL 64 HG12 VAL 64 3.943 7.752 -6.992 465 HG13 VAL 64 HG13 VAL 64 2.642 8.238 -8.077 466 HG21 VAL 64 HG21 VAL 64 3.629 11.323 -6.204 467 HG22 VAL 64 HG22 VAL 64 3.461 10.654 -7.828 468 HG23 VAL 64 HG23 VAL 64 4.721 10.051 -6.753 469 H ALA 65 H ALA 65 1.153 9.486 -3.869 470 HA ALA 65 HA ALA 65 -0.037 6.974 -3.715 471 HB1 ALA 65 HB1 ALA 65 1.168 7.991 -1.869 472 HB2 ALA 65 HB2 ALA 65 -0.451 7.501 -1.361 473 HB3 ALA 65 HB3 ALA 65 -0.096 9.205 -1.702 474 H GLY 66 H GLY 66 -1.533 10.140 -4.031 475 HA2 GLY 66 HA2 GLY 66 -4.182 9.087 -3.561 476 HA3 GLY 66 HA3 GLY 66 -3.774 10.724 -4.058 477 H ARG 67 H ARG 67 -2.069 9.038 -6.149 478 HA ARG 67 HA ARG 67 -4.189 9.133 -8.158 479 HB2 ARG 67 HB2 ARG 67 -2.218 10.491 -8.660 480 HB3 ARG 67 HB3 ARG 67 -1.181 9.075 -8.503 481 HG2 ARG 67 HG2 ARG 67 -2.341 8.035 -10.383 482 HG3 ARG 67 HG3 ARG 67 -3.338 9.476 -10.545 483 HD2 ARG 67 HD2 ARG 67 -1.371 10.790 -11.105 484 HD3 ARG 67 HD3 ARG 67 -0.339 9.372 -10.863 485 HE ARG 67 HE ARG 67 -2.167 8.512 -12.623 486 HH11 ARG 67 HH11 ARG 67 0.173 11.189 -12.699 487 HH12 ARG 67 HH12 ARG 67 0.182 11.300 -14.403 488 HH21 ARG 67 HH21 ARG 67 -2.081 8.643 -14.955 489 HH22 ARG 67 HH22 ARG 67 -1.081 9.810 -15.692 490 H VAL 68 H VAL 68 -2.076 6.924 -6.540 491 HA VAL 68 HA VAL 68 -2.237 4.881 -8.525 492 HB VAL 68 HB VAL 68 -1.293 3.361 -6.681 493 HG11 VAL 68 HG11 VAL 68 0.231 5.868 -7.373 494 HG12 VAL 68 HG12 VAL 68 0.123 4.403 -8.358 495 HG13 VAL 68 HG13 VAL 68 0.918 4.353 -6.782 496 HG21 VAL 68 HG21 VAL 68 -2.082 4.652 -4.744 497 HG22 VAL 68 HG22 VAL 68 -1.041 5.996 -5.235 498 HG23 VAL 68 HG23 VAL 68 -0.327 4.466 -4.729 499 H ASP 69 H ASP 69 -4.016 4.007 -9.036 500 HA ASP 69 HA ASP 69 -6.198 3.761 -7.201 501 HB2 ASP 69 HB2 ASP 69 -7.463 3.101 -9.136 502 HB3 ASP 69 HB3 ASP 69 -6.575 4.582 -9.489 503 H THR 70 H THR 70 -3.569 1.832 -8.137 504 HA THR 70 HA THR 70 -5.060 -0.536 -7.286 505 HB THR 70 HB THR 70 -3.597 -1.873 -8.862 506 HG1 THR 70 HG1 THR 70 -2.895 0.746 -9.647 507 HG21 THR 70 HG21 THR 70 -5.562 0.084 -10.053 508 HG22 THR 70 HG22 THR 70 -5.947 -1.487 -9.348 509 HG23 THR 70 HG23 THR 70 -5.002 -1.395 -10.838 510 HA PRO 71 HA PRO 71 -1.988 -1.035 -4.151 511 HB2 PRO 71 HB2 PRO 71 -2.369 -3.958 -4.556 512 HB3 PRO 71 HB3 PRO 71 -2.533 -2.982 -3.106 513 HG2 PRO 71 HG2 PRO 71 -4.696 -3.876 -4.380 514 HG3 PRO 71 HG3 PRO 71 -4.665 -2.285 -3.595 515 HD2 PRO 71 HD2 PRO 71 -4.464 -2.982 -6.491 516 HD3 PRO 71 HD3 PRO 71 -5.275 -1.609 -5.714 517 H ARG 72 H ARG 72 -1.788 -2.835 -7.137 518 HA ARG 72 HA ARG 72 0.771 -3.915 -6.989 519 HB2 ARG 72 HB2 ARG 72 -0.842 -4.327 -8.794 520 HB3 ARG 72 HB3 ARG 72 -0.581 -2.697 -9.388 521 HG2 ARG 72 HG2 ARG 72 1.743 -3.243 -9.877 522 HG3 ARG 72 HG3 ARG 72 1.477 -4.889 -9.281 523 HD2 ARG 72 HD2 ARG 72 1.304 -4.788 -11.709 524 HD3 ARG 72 HD3 ARG 72 -0.239 -5.225 -10.967 525 HE ARG 72 HE ARG 72 0.399 -2.495 -11.785 526 HH11 ARG 72 HH11 ARG 72 -1.900 -5.243 -11.677 527 HH12 ARG 72 HH12 ARG 72 -3.092 -4.472 -12.608 528 HH21 ARG 72 HH21 ARG 72 -1.265 -1.450 -13.128 529 HH22 ARG 72 HH22 ARG 72 -2.750 -2.243 -13.393 530 H GLU 73 H GLU 73 -0.230 -0.775 -8.264 531 HA GLU 73 HA GLU 73 2.381 0.122 -8.747 532 HB2 GLU 73 HB2 GLU 73 -0.199 1.624 -8.475 533 HB3 GLU 73 HB3 GLU 73 1.272 2.362 -9.068 534 HG2 GLU 73 HG2 GLU 73 -0.398 0.209 -10.321 535 HG3 GLU 73 HG3 GLU 73 0.020 1.793 -10.966 536 H LEU 74 H LEU 74 0.274 0.361 -5.984 537 HA LEU 74 HA LEU 74 1.833 2.280 -4.572 538 HB2 LEU 74 HB2 LEU 74 -0.575 1.648 -4.109 539 HB3 LEU 74 HB3 LEU 74 0.018 0.151 -3.405 540 HG LEU 74 HG LEU 74 -0.707 1.884 -1.748 541 HD11 LEU 74 HD11 LEU 74 2.191 1.105 -1.546 542 HD12 LEU 74 HD12 LEU 74 0.807 0.148 -1.018 543 HD13 LEU 74 HD13 LEU 74 1.182 1.674 -0.217 544 HD21 LEU 74 HD21 LEU 74 0.758 3.796 -1.309 545 HD22 LEU 74 HD22 LEU 74 0.036 3.873 -2.916 546 HD23 LEU 74 HD23 LEU 74 1.717 3.375 -2.727 547 H LEU 75 H LEU 75 1.732 -1.249 -4.621 548 HA LEU 75 HA LEU 75 3.776 -1.822 -2.811 549 HB2 LEU 75 HB2 LEU 75 2.319 -3.540 -3.795 550 HB3 LEU 75 HB3 LEU 75 3.033 -3.260 -5.366 551 HG LEU 75 HG LEU 75 5.219 -4.161 -4.496 552 HD11 LEU 75 HD11 LEU 75 4.905 -3.574 -2.160 553 HD12 LEU 75 HD12 LEU 75 5.287 -5.277 -2.388 554 HD13 LEU 75 HD13 LEU 75 3.629 -4.787 -2.029 555 HD21 LEU 75 HD21 LEU 75 3.628 -5.610 -5.651 556 HD22 LEU 75 HD22 LEU 75 2.829 -5.951 -4.119 557 HD23 LEU 75 HD23 LEU 75 4.493 -6.483 -4.383 558 H ASP 76 H ASP 76 3.855 -1.280 -6.296 559 HA ASP 76 HA ASP 76 6.607 -1.581 -6.676 560 HB2 ASP 76 HB2 ASP 76 4.891 -1.599 -8.488 561 HB3 ASP 76 HB3 ASP 76 4.732 0.143 -8.313 562 H LEU 77 H LEU 77 4.759 1.207 -5.675 563 HA LEU 77 HA LEU 77 6.800 3.134 -5.850 564 HB2 LEU 77 HB2 LEU 77 4.494 2.936 -3.918 565 HB3 LEU 77 HB3 LEU 77 5.557 4.321 -4.029 566 HG LEU 77 HG LEU 77 3.743 3.327 -6.219 567 HD11 LEU 77 HD11 LEU 77 2.475 5.366 -5.759 568 HD12 LEU 77 HD12 LEU 77 3.555 5.730 -4.413 569 HD13 LEU 77 HD13 LEU 77 2.521 4.303 -4.352 570 HD21 LEU 77 HD21 LEU 77 5.769 4.371 -7.082 571 HD22 LEU 77 HD22 LEU 77 5.494 5.774 -6.048 572 HD23 LEU 77 HD23 LEU 77 4.366 5.401 -7.351 573 H ILE 78 H ILE 78 5.775 1.175 -3.082 574 HA ILE 78 HA ILE 78 7.821 2.029 -1.281 575 HB ILE 78 HB ILE 78 6.406 -0.653 -1.252 576 HG12 ILE 78 HG12 ILE 78 4.731 1.183 -1.423 577 HG13 ILE 78 HG13 ILE 78 4.640 0.326 0.106 578 HG21 ILE 78 HG21 ILE 78 7.605 0.998 0.973 579 HG22 ILE 78 HG22 ILE 78 8.268 -0.488 0.296 580 HG23 ILE 78 HG23 ILE 78 6.748 -0.528 1.188 581 HD11 ILE 78 HD11 ILE 78 4.356 2.715 0.397 582 HD12 ILE 78 HD12 ILE 78 5.931 3.004 -0.344 583 HD13 ILE 78 HD13 ILE 78 5.823 2.153 1.195 584 H ASN 79 H ASN 79 7.323 -0.991 -2.977 585 HA ASN 79 HA ASN 79 9.661 -2.370 -2.358 586 HB2 ASN 79 HB2 ASN 79 7.512 -3.274 -3.236 587 HB3 ASN 79 HB3 ASN 79 7.880 -2.574 -4.794 588 HD21 ASN 79 HD21 ASN 79 7.303 -5.278 -3.916 589 HD22 ASN 79 HD22 ASN 79 8.586 -6.256 -4.469 590 H GLY 80 H GLY 80 8.882 -0.307 -5.152 591 HA2 GLY 80 HA2 GLY 80 11.316 -0.691 -6.526 592 HA3 GLY 80 HA3 GLY 80 10.177 0.626 -6.774 593 H ALA 81 H ALA 81 10.244 1.711 -4.144 594 HA ALA 81 HA ALA 81 12.542 3.349 -4.372 595 HB1 ALA 81 HB1 ALA 81 10.643 3.061 -2.044 596 HB2 ALA 81 HB2 ALA 81 10.427 4.158 -3.407 597 HB3 ALA 81 HB3 ALA 81 11.777 4.386 -2.292 598 H LEU 82 H LEU 82 11.759 0.525 -2.519 599 HA LEU 82 HA LEU 82 13.999 0.571 -0.792 600 HB2 LEU 82 HB2 LEU 82 12.322 -1.727 -1.790 601 HB3 LEU 82 HB3 LEU 82 13.570 -1.890 -0.570 602 HG LEU 82 HG LEU 82 11.115 -0.162 -0.282 603 HD11 LEU 82 HD11 LEU 82 10.362 -1.864 1.302 604 HD12 LEU 82 HD12 LEU 82 11.768 -2.855 0.910 605 HD13 LEU 82 HD13 LEU 82 10.544 -2.533 -0.321 606 HD21 LEU 82 HD21 LEU 82 13.095 0.614 0.945 607 HD22 LEU 82 HD22 LEU 82 13.226 -0.968 1.720 608 HD23 LEU 82 HD23 LEU 82 11.819 0.055 2.019 609 H ALA 83 H ALA 83 13.428 -0.810 -3.957 610 HA ALA 83 HA ALA 83 15.956 -2.027 -4.268 611 HB1 ALA 83 HB1 ALA 83 15.411 -2.129 -6.646 612 HB2 ALA 83 HB2 ALA 83 14.075 -1.003 -6.394 613 HB3 ALA 83 HB3 ALA 83 14.025 -2.606 -5.663 614 H GLU 84 H GLU 84 14.685 1.103 -5.284 615 HA GLU 84 HA GLU 84 16.994 2.041 -6.573 616 HB2 GLU 84 HB2 GLU 84 14.742 3.586 -5.307 617 HB3 GLU 84 HB3 GLU 84 15.973 4.286 -6.345 618 HG2 GLU 84 HG2 GLU 84 15.221 2.853 -8.182 619 HG3 GLU 84 HG3 GLU 84 13.970 2.185 -7.131 620 H ALA 85 H ALA 85 15.796 2.781 -3.283 621 HA ALA 85 HA ALA 85 18.299 4.141 -2.777 622 HB1 ALA 85 HB1 ALA 85 16.218 5.218 -2.068 623 HB2 ALA 85 HB2 ALA 85 17.280 4.890 -0.699 624 HB3 ALA 85 HB3 ALA 85 15.882 3.856 -0.998 625 H ALA 86 H ALA 86 19.567 2.302 -2.909 626 HA ALA 86 HA ALA 86 20.125 1.058 -0.429 627 HB1 ALA 86 HB1 ALA 86 19.096 -0.699 -2.679 628 HB2 ALA 86 HB2 ALA 86 18.289 -0.423 -1.137 629 HB3 ALA 86 HB3 ALA 86 19.828 -1.280 -1.182 630 H28 SXA 87 H28A SXA 87 -7.678 12.368 1.751 631 H28A SXA 87 H28B SXA 87 -6.927 12.071 0.177 632 H30 SXA 87 H30A SXA 87 -6.255 13.605 -1.269 633 H30A SXA 87 H30B SXA 87 -6.928 15.235 -1.263 634 H30B SXA 87 H30C SXA 87 -7.963 13.853 -1.627 635 H31 SXA 87 H31A SXA 87 -8.478 15.946 0.591 636 H31A SXA 87 H31B SXA 87 -8.932 14.780 1.831 637 H31B SXA 87 H31C SXA 87 -9.531 14.590 0.183 638 H32 SXA 87 H32A SXA 87 -5.404 13.805 1.177 639 HO33 SXA 87 H33A SXA 87 -6.392 15.285 3.098 640 HN36 SXA 87 H36A SXA 87 -4.467 15.318 -0.301 641 H37 SXA 87 H37A SXA 87 -5.077 18.108 -0.470 642 H37A SXA 87 H37B SXA 87 -3.771 17.810 0.658 643 H38 SXA 87 H38A SXA 87 -2.774 18.317 -1.398 644 H38A SXA 87 H38B SXA 87 -2.534 16.579 -1.136 645 HN41 SXA 87 H41A SXA 87 -5.687 17.350 -2.004 646 H42 SXA 87 H42A SXA 87 -5.929 17.925 -4.580 647 H42A SXA 87 H42B SXA 87 -5.540 16.193 -4.630 648 H43 SXA 87 H43A SXA 87 -7.469 15.713 -3.265 649 H43A SXA 87 H43B SXA 87 -8.041 16.793 -4.565 650 H2 SXA 87 H2C SXA 87 -11.193 18.396 -1.579 651 H2A SXA 87 H2A SXA 87 -9.680 18.706 -0.718 652 H2B SXA 87 H2B SXA 87 -10.588 17.221 -0.402 Start of MODEL 10 1 H1 MET 1 H1 MET 1 20.074 -9.363 -1.800 2 H2 MET 1 H2 MET 1 18.524 -8.775 -1.515 3 H3 MET 1 H3 MET 1 19.724 -8.523 -0.372 4 HA MET 1 HA MET 1 20.945 -7.142 -1.865 5 HB2 MET 1 HB2 MET 1 18.578 -7.549 -3.722 6 HB3 MET 1 HB3 MET 1 19.824 -6.337 -3.955 7 HG2 MET 1 HG2 MET 1 20.295 -8.167 -5.396 8 HG3 MET 1 HG3 MET 1 21.497 -8.170 -4.113 9 HE1 MET 1 HE1 MET 1 17.740 -9.469 -4.149 10 HE2 MET 1 HE2 MET 1 17.996 -11.179 -4.485 11 HE3 MET 1 HE3 MET 1 18.401 -9.970 -5.703 12 H ALA 2 H ALA 2 17.360 -7.042 -1.684 13 HA ALA 2 HA ALA 2 17.517 -4.906 0.222 14 HB1 ALA 2 HB1 ALA 2 16.195 -4.524 -2.477 15 HB2 ALA 2 HB2 ALA 2 17.615 -3.660 -1.894 16 HB3 ALA 2 HB3 ALA 2 16.054 -3.424 -1.105 17 H THR 3 H THR 3 15.371 -4.616 1.191 18 HA THR 3 HA THR 3 13.871 -7.073 1.139 19 HB THR 3 HB THR 3 13.405 -4.448 2.598 20 HG1 THR 3 HG1 THR 3 14.685 -6.868 3.357 21 HG21 THR 3 HG21 THR 3 12.303 -7.222 3.126 22 HG22 THR 3 HG22 THR 3 11.387 -5.865 2.471 23 HG23 THR 3 HG23 THR 3 12.010 -5.793 4.121 24 H LEU 4 H LEU 4 12.663 -7.280 -0.680 25 HA LEU 4 HA LEU 4 11.072 -4.990 -1.546 26 HB2 LEU 4 HB2 LEU 4 11.729 -7.551 -3.016 27 HB3 LEU 4 HB3 LEU 4 10.773 -6.228 -3.652 28 HG LEU 4 HG LEU 4 13.721 -6.162 -3.006 29 HD11 LEU 4 HD11 LEU 4 12.246 -6.059 -5.626 30 HD12 LEU 4 HD12 LEU 4 13.208 -7.406 -5.014 31 HD13 LEU 4 HD13 LEU 4 13.988 -5.876 -5.418 32 HD21 LEU 4 HD21 LEU 4 11.953 -3.989 -4.140 33 HD22 LEU 4 HD22 LEU 4 13.708 -3.912 -3.973 34 HD23 LEU 4 HD23 LEU 4 12.687 -3.999 -2.538 35 H LEU 5 H LEU 5 8.987 -5.080 -1.264 36 HA LEU 5 HA LEU 5 8.025 -7.124 0.504 37 HB2 LEU 5 HB2 LEU 5 6.607 -4.734 -0.620 38 HB3 LEU 5 HB3 LEU 5 6.083 -5.726 0.725 39 HG LEU 5 HG LEU 5 8.411 -3.844 0.628 40 HD11 LEU 5 HD11 LEU 5 7.226 -2.768 2.471 41 HD12 LEU 5 HD12 LEU 5 5.924 -3.947 2.308 42 HD13 LEU 5 HD13 LEU 5 6.262 -2.820 0.995 43 HD21 LEU 5 HD21 LEU 5 9.112 -5.855 1.800 44 HD22 LEU 5 HD22 LEU 5 7.663 -5.791 2.805 45 HD23 LEU 5 HD23 LEU 5 8.885 -4.526 2.936 46 H THR 6 H THR 6 6.264 -8.419 0.190 47 HA THR 6 HA THR 6 5.652 -8.891 -2.625 48 HB THR 6 HB THR 6 4.879 -11.143 -1.853 49 HG1 THR 6 HG1 THR 6 6.258 -10.896 0.549 50 HG21 THR 6 HG21 THR 6 7.130 -12.078 -1.468 51 HG22 THR 6 HG22 THR 6 7.740 -10.458 -1.128 52 HG23 THR 6 HG23 THR 6 7.159 -10.857 -2.743 53 H THR 7 H THR 7 3.338 -10.225 -2.547 54 HA THR 7 HA THR 7 1.335 -8.388 -2.207 55 HB THR 7 HB THR 7 1.166 -11.410 -2.199 56 HG1 THR 7 HG1 THR 7 1.226 -11.210 -4.425 57 HG21 THR 7 HG21 THR 7 -0.972 -10.276 -1.640 58 HG22 THR 7 HG22 THR 7 -1.042 -11.038 -3.226 59 HG23 THR 7 HG23 THR 7 -0.819 -9.295 -3.097 60 H ASP 8 H ASP 8 2.712 -10.676 0.114 61 HA ASP 8 HA ASP 8 0.537 -10.510 1.962 62 HB2 ASP 8 HB2 ASP 8 2.015 -12.432 2.078 63 HB3 ASP 8 HB3 ASP 8 3.386 -11.384 2.447 64 H ASP 9 H ASP 9 3.581 -8.805 1.660 65 HA ASP 9 HA ASP 9 3.359 -7.403 4.134 66 HB2 ASP 9 HB2 ASP 9 4.830 -6.604 1.631 67 HB3 ASP 9 HB3 ASP 9 5.064 -5.872 3.215 68 H LEU 10 H LEU 10 2.474 -6.724 0.844 69 HA LEU 10 HA LEU 10 1.429 -4.131 1.228 70 HB2 LEU 10 HB2 LEU 10 2.077 -5.183 -0.944 71 HB3 LEU 10 HB3 LEU 10 0.676 -6.218 -0.815 72 HG LEU 10 HG LEU 10 -0.771 -4.206 -0.919 73 HD11 LEU 10 HD11 LEU 10 1.820 -2.777 -1.510 74 HD12 LEU 10 HD12 LEU 10 0.817 -2.555 -0.077 75 HD13 LEU 10 HD13 LEU 10 0.203 -2.089 -1.664 76 HD21 LEU 10 HD21 LEU 10 -0.295 -5.532 -2.894 77 HD22 LEU 10 HD22 LEU 10 1.161 -4.584 -3.192 78 HD23 LEU 10 HD23 LEU 10 -0.426 -3.822 -3.303 79 H ARG 11 H ARG 11 0.011 -7.362 1.201 80 HA ARG 11 HA ARG 11 -2.660 -7.012 1.669 81 HB2 ARG 11 HB2 ARG 11 -1.858 -9.215 1.454 82 HB3 ARG 11 HB3 ARG 11 -0.669 -9.003 2.726 83 HG2 ARG 11 HG2 ARG 11 -2.680 -8.781 4.298 84 HG3 ARG 11 HG3 ARG 11 -3.618 -9.453 2.961 85 HD2 ARG 11 HD2 ARG 11 -2.274 -11.430 2.933 86 HD3 ARG 11 HD3 ARG 11 -1.159 -10.743 4.117 87 HE ARG 11 HE ARG 11 -3.976 -11.157 4.808 88 HH11 ARG 11 HH11 ARG 11 -0.546 -12.043 5.360 89 HH12 ARG 11 HH12 ARG 11 -0.902 -12.735 6.878 90 HH21 ARG 11 HH21 ARG 11 -4.377 -12.104 6.769 91 HH22 ARG 11 HH22 ARG 11 -3.143 -12.841 7.709 92 H ARG 12 H ARG 12 -0.140 -7.304 4.097 93 HA ARG 12 HA ARG 12 -1.668 -6.938 6.374 94 HB2 ARG 12 HB2 ARG 12 1.218 -6.218 5.882 95 HB3 ARG 12 HB3 ARG 12 0.470 -6.284 7.475 96 HG2 ARG 12 HG2 ARG 12 0.048 -8.653 7.192 97 HG3 ARG 12 HG3 ARG 12 0.717 -8.590 5.560 98 HD2 ARG 12 HD2 ARG 12 2.882 -7.943 6.455 99 HD3 ARG 12 HD3 ARG 12 2.219 -7.947 8.091 100 HE ARG 12 HE ARG 12 2.379 -10.348 6.392 101 HH11 ARG 12 HH11 ARG 12 2.899 -8.700 9.463 102 HH12 ARG 12 HH12 ARG 12 3.197 -10.119 10.372 103 HH21 ARG 12 HH21 ARG 12 2.809 -12.315 7.612 104 HH22 ARG 12 HH22 ARG 12 3.246 -12.209 9.264 105 H ALA 13 H ALA 13 -0.032 -4.556 4.382 106 HA ALA 13 HA ALA 13 -0.659 -2.369 6.031 107 HB1 ALA 13 HB1 ALA 13 -0.049 -2.383 3.082 108 HB2 ALA 13 HB2 ALA 13 1.151 -2.298 4.377 109 HB3 ALA 13 HB3 ALA 13 0.002 -0.978 4.144 110 H LEU 14 H LEU 14 -2.222 -3.574 3.047 111 HA LEU 14 HA LEU 14 -4.241 -1.596 3.166 112 HB2 LEU 14 HB2 LEU 14 -3.977 -4.088 1.549 113 HB3 LEU 14 HB3 LEU 14 -5.517 -3.265 1.606 114 HG LEU 14 HG LEU 14 -4.334 -1.200 0.783 115 HD11 LEU 14 HD11 LEU 14 -2.061 -1.784 1.343 116 HD12 LEU 14 HD12 LEU 14 -2.232 -1.475 -0.385 117 HD13 LEU 14 HD13 LEU 14 -2.111 -3.132 0.207 118 HD21 LEU 14 HD21 LEU 14 -5.717 -2.568 -0.643 119 HD22 LEU 14 HD22 LEU 14 -4.351 -3.629 -0.983 120 HD23 LEU 14 HD23 LEU 14 -4.326 -1.953 -1.530 121 H VAL 15 H VAL 15 -4.033 -4.674 4.690 122 HA VAL 15 HA VAL 15 -6.801 -4.722 5.449 123 HB VAL 15 HB VAL 15 -4.418 -6.155 6.707 124 HG11 VAL 15 HG11 VAL 15 -6.084 -7.621 7.771 125 HG12 VAL 15 HG12 VAL 15 -7.378 -6.623 7.114 126 HG13 VAL 15 HG13 VAL 15 -6.261 -5.948 8.300 127 HG21 VAL 15 HG21 VAL 15 -6.518 -7.165 4.778 128 HG22 VAL 15 HG22 VAL 15 -5.263 -8.140 5.546 129 HG23 VAL 15 HG23 VAL 15 -4.813 -6.866 4.418 130 H GLU 16 H GLU 16 -3.818 -4.147 7.305 131 HA GLU 16 HA GLU 16 -5.166 -3.402 9.633 132 HB2 GLU 16 HB2 GLU 16 -2.293 -3.011 8.846 133 HB3 GLU 16 HB3 GLU 16 -2.930 -2.800 10.473 134 HG2 GLU 16 HG2 GLU 16 -3.604 -5.132 10.535 135 HG3 GLU 16 HG3 GLU 16 -3.027 -5.367 8.890 136 H SER 17 H SER 17 -4.283 -1.387 6.917 137 HA SER 17 HA SER 17 -4.328 1.028 8.472 138 HB2 SER 17 HB2 SER 17 -4.584 0.750 5.465 139 HB3 SER 17 HB3 SER 17 -4.179 2.214 6.361 140 HG SER 17 HG SER 17 -2.699 -0.063 5.856 141 H ALA 18 H ALA 18 -6.644 -0.589 6.318 142 HA ALA 18 HA ALA 18 -8.692 1.354 6.768 143 HB1 ALA 18 HB1 ALA 18 -10.162 -0.255 5.638 144 HB2 ALA 18 HB2 ALA 18 -8.894 -1.479 5.726 145 HB3 ALA 18 HB3 ALA 18 -8.660 -0.035 4.739 146 H GLY 19 H GLY 19 -8.132 -1.978 7.839 147 HA2 GLY 19 HA2 GLY 19 -8.691 -1.703 10.454 148 HA3 GLY 19 HA3 GLY 19 -10.271 -1.901 9.699 149 H GLU 20 H GLU 20 -8.020 -3.534 11.232 150 HA GLU 20 HA GLU 20 -7.633 -5.883 9.733 151 HB2 GLU 20 HB2 GLU 20 -7.855 -5.479 12.720 152 HB3 GLU 20 HB3 GLU 20 -7.277 -6.952 11.953 153 HG2 GLU 20 HG2 GLU 20 -5.377 -5.791 11.042 154 HG3 GLU 20 HG3 GLU 20 -5.988 -4.251 11.653 155 H THR 21 H THR 21 -9.167 -7.253 8.982 156 HA THR 21 HA THR 21 -11.050 -8.168 8.548 157 HB THR 21 HB THR 21 -12.408 -9.212 10.404 158 HG1 THR 21 HG1 THR 21 -10.876 -7.495 11.901 159 HG21 THR 21 HG21 THR 21 -10.533 -10.391 9.409 160 HG22 THR 21 HG22 THR 21 -10.640 -10.747 11.137 161 HG23 THR 21 HG23 THR 21 -9.424 -9.618 10.543 162 H ASP 22 H ASP 22 -11.067 -5.551 8.289 163 HA ASP 22 HA ASP 22 -13.280 -4.114 9.264 164 HB2 ASP 22 HB2 ASP 22 -11.490 -3.032 7.995 165 HB3 ASP 22 HB3 ASP 22 -11.901 -3.966 6.568 166 H GLY 23 H GLY 23 -12.889 -6.280 6.580 167 HA2 GLY 23 HA2 GLY 23 -15.103 -7.545 6.184 168 HA3 GLY 23 HA3 GLY 23 -15.656 -5.927 5.730 169 H THR 24 H THR 24 -13.211 -5.045 4.752 170 HA THR 24 HA THR 24 -12.957 -6.658 2.349 171 HB THR 24 HB THR 24 -13.804 -4.466 1.789 172 HG1 THR 24 HG1 THR 24 -11.072 -4.319 1.167 173 HG21 THR 24 HG21 THR 24 -13.099 -3.180 3.751 174 HG22 THR 24 HG22 THR 24 -12.574 -2.371 2.272 175 HG23 THR 24 HG23 THR 24 -11.416 -3.295 3.230 176 H ASP 25 H ASP 25 -11.542 -8.005 3.637 177 HA ASP 25 HA ASP 25 -8.983 -6.895 4.401 178 HB2 ASP 25 HB2 ASP 25 -9.896 -9.789 4.258 179 HB3 ASP 25 HB3 ASP 25 -8.382 -9.232 4.956 180 H LEU 26 H LEU 26 -7.289 -6.806 3.088 181 HA LEU 26 HA LEU 26 -7.712 -7.780 0.408 182 HB2 LEU 26 HB2 LEU 26 -5.780 -5.709 1.445 183 HB3 LEU 26 HB3 LEU 26 -5.715 -6.340 -0.182 184 HG LEU 26 HG LEU 26 -6.755 -4.278 -0.358 185 HD11 LEU 26 HD11 LEU 26 -9.018 -4.739 -1.123 186 HD12 LEU 26 HD12 LEU 26 -8.937 -6.320 -0.348 187 HD13 LEU 26 HD13 LEU 26 -7.840 -5.936 -1.675 188 HD21 LEU 26 HD21 LEU 26 -7.272 -3.862 1.990 189 HD22 LEU 26 HD22 LEU 26 -8.600 -5.016 1.914 190 HD23 LEU 26 HD23 LEU 26 -8.671 -3.526 0.970 191 H SER 27 H SER 27 -7.351 -9.783 1.107 192 HA SER 27 HA SER 27 -4.487 -10.468 0.997 193 HB2 SER 27 HB2 SER 27 -5.321 -10.915 3.252 194 HB3 SER 27 HB3 SER 27 -6.597 -11.943 2.591 195 HG SER 27 HG SER 27 -5.087 -13.425 1.978 196 H GLY 28 H GLY 28 -4.272 -11.062 -1.091 197 HA2 GLY 28 HA2 GLY 28 -4.808 -13.425 -2.105 198 HA3 GLY 28 HA3 GLY 28 -6.342 -12.593 -2.370 199 H ASP 29 H ASP 29 -6.364 -12.190 -4.468 200 HA ASP 29 HA ASP 29 -3.940 -11.252 -5.810 201 HB2 ASP 29 HB2 ASP 29 -5.135 -11.695 -7.853 202 HB3 ASP 29 HB3 ASP 29 -5.165 -13.135 -6.833 203 H PHE 30 H PHE 30 -4.930 -9.510 -4.111 204 HA PHE 30 HA PHE 30 -6.871 -7.744 -5.258 205 HB2 PHE 30 HB2 PHE 30 -6.634 -6.464 -3.254 206 HB3 PHE 30 HB3 PHE 30 -6.698 -8.187 -2.874 207 HD1 PHE 30 HD2 PHE 30 -4.680 -9.359 -2.104 208 HD2 PHE 30 HD1 PHE 30 -4.688 -5.159 -2.738 209 HE1 PHE 30 HE2 PHE 30 -2.604 -9.159 -0.817 210 HE2 PHE 30 HE1 PHE 30 -2.613 -4.956 -1.451 211 HZ PHE 30 HZ PHE 30 -1.569 -6.957 -0.489 212 H LEU 31 H LEU 31 -3.747 -8.192 -5.922 213 HA LEU 31 HA LEU 31 -2.404 -5.801 -5.843 214 HB2 LEU 31 HB2 LEU 31 -2.250 -7.947 -7.942 215 HB3 LEU 31 HB3 LEU 31 -1.125 -6.615 -7.802 216 HG LEU 31 HG LEU 31 -1.570 -8.706 -5.679 217 HD11 LEU 31 HD11 LEU 31 -0.527 -9.653 -7.674 218 HD12 LEU 31 HD12 LEU 31 0.632 -9.547 -6.346 219 HD13 LEU 31 HD13 LEU 31 0.684 -8.371 -7.659 220 HD21 LEU 31 HD21 LEU 31 0.495 -6.524 -5.928 221 HD22 LEU 31 HD22 LEU 31 0.444 -7.760 -4.666 222 HD23 LEU 31 HD23 LEU 31 -0.844 -6.562 -4.781 223 H ASP 32 H ASP 32 -4.710 -6.832 -8.331 224 HA ASP 32 HA ASP 32 -4.353 -4.197 -9.547 225 HB2 ASP 32 HB2 ASP 32 -5.307 -5.098 -11.601 226 HB3 ASP 32 HB3 ASP 32 -3.901 -6.015 -11.089 227 H LEU 33 H LEU 33 -6.168 -5.116 -7.224 228 HA LEU 33 HA LEU 33 -8.769 -4.508 -8.315 229 HB2 LEU 33 HB2 LEU 33 -7.879 -4.934 -5.461 230 HB3 LEU 33 HB3 LEU 33 -9.532 -4.606 -5.937 231 HG LEU 33 HG LEU 33 -7.917 -7.049 -6.659 232 HD11 LEU 33 HD11 LEU 33 -10.325 -6.678 -4.892 233 HD12 LEU 33 HD12 LEU 33 -8.676 -7.020 -4.355 234 HD13 LEU 33 HD13 LEU 33 -9.567 -8.223 -5.287 235 HD21 LEU 33 HD21 LEU 33 -9.981 -7.887 -7.679 236 HD22 LEU 33 HD22 LEU 33 -9.397 -6.438 -8.496 237 HD23 LEU 33 HD23 LEU 33 -10.759 -6.331 -7.376 238 H ARG 34 H ARG 34 -9.907 -2.662 -7.978 239 HA ARG 34 HA ARG 34 -8.162 -0.369 -7.851 240 HB2 ARG 34 HB2 ARG 34 -11.124 -0.446 -8.422 241 HB3 ARG 34 HB3 ARG 34 -10.034 0.905 -8.702 242 HG2 ARG 34 HG2 ARG 34 -8.772 -0.576 -10.293 243 HG3 ARG 34 HG3 ARG 34 -10.086 -1.740 -10.133 244 HD2 ARG 34 HD2 ARG 34 -10.460 -0.414 -12.096 245 HD3 ARG 34 HD3 ARG 34 -11.660 0.037 -10.882 246 HE ARG 34 HE ARG 34 -9.330 1.653 -10.726 247 HH11 ARG 34 HH11 ARG 34 -12.263 1.294 -12.686 248 HH12 ARG 34 HH12 ARG 34 -12.346 2.974 -13.023 249 HH21 ARG 34 HH21 ARG 34 -9.475 3.833 -11.195 250 HH22 ARG 34 HH22 ARG 34 -10.710 4.474 -12.205 251 H PHE 35 H PHE 35 -7.911 0.924 -6.248 252 HA PHE 35 HA PHE 35 -8.756 0.485 -3.669 253 HB2 PHE 35 HB2 PHE 35 -7.778 3.020 -4.945 254 HB3 PHE 35 HB3 PHE 35 -8.176 2.931 -3.234 255 HD1 PHE 35 HD2 PHE 35 -7.012 0.938 -1.961 256 HD2 PHE 35 HD1 PHE 35 -5.618 2.640 -5.587 257 HE1 PHE 35 HE2 PHE 35 -4.754 0.113 -1.466 258 HE2 PHE 35 HE1 PHE 35 -3.355 1.823 -5.102 259 HZ PHE 35 HZ PHE 35 -2.920 0.561 -3.039 260 H GLU 36 H GLU 36 -10.336 2.506 -6.066 261 HA GLU 36 HA GLU 36 -12.195 3.810 -4.510 262 HB2 GLU 36 HB2 GLU 36 -13.669 3.843 -6.542 263 HB3 GLU 36 HB3 GLU 36 -12.026 4.410 -6.795 264 HG2 GLU 36 HG2 GLU 36 -11.425 2.460 -7.974 265 HG3 GLU 36 HG3 GLU 36 -12.868 1.602 -7.445 266 H ASP 37 H ASP 37 -12.275 0.490 -5.567 267 HA ASP 37 HA ASP 37 -15.043 0.119 -4.779 268 HB2 ASP 37 HB2 ASP 37 -14.184 -1.044 -6.755 269 HB3 ASP 37 HB3 ASP 37 -12.989 -1.871 -5.766 270 H ILE 38 H ILE 38 -11.900 -0.402 -3.444 271 HA ILE 38 HA ILE 38 -13.033 -2.045 -1.317 272 HB ILE 38 HB ILE 38 -10.708 -2.434 -0.538 273 HG12 ILE 38 HG12 ILE 38 -9.935 -0.846 -3.007 274 HG13 ILE 38 HG13 ILE 38 -9.701 -0.330 -1.344 275 HG21 ILE 38 HG21 ILE 38 -11.758 -3.995 -2.056 276 HG22 ILE 38 HG22 ILE 38 -10.040 -3.865 -2.421 277 HG23 ILE 38 HG23 ILE 38 -11.222 -3.049 -3.445 278 HD11 ILE 38 HD11 ILE 38 -7.628 -1.128 -2.318 279 HD12 ILE 38 HD12 ILE 38 -8.378 -2.683 -2.677 280 HD13 ILE 38 HD13 ILE 38 -8.135 -2.187 -1.002 281 H GLY 39 H GLY 39 -13.344 0.900 -1.670 282 HA2 GLY 39 HA2 GLY 39 -13.932 2.548 -0.174 283 HA3 GLY 39 HA3 GLY 39 -13.496 1.453 1.122 284 H TYR 40 H TYR 40 -11.123 2.212 -1.284 285 HA TYR 40 HA TYR 40 -9.780 3.812 0.737 286 HB2 TYR 40 HB2 TYR 40 -8.755 2.047 -1.433 287 HB3 TYR 40 HB3 TYR 40 -7.779 3.435 -0.963 288 HD1 TYR 40 HD1 TYR 40 -9.585 0.553 0.503 289 HD2 TYR 40 HD2 TYR 40 -6.262 3.176 0.826 290 HE1 TYR 40 HE1 TYR 40 -8.720 -0.797 2.345 291 HE2 TYR 40 HE2 TYR 40 -5.380 1.823 2.693 292 HH TYR 40 HH TYR 40 -6.160 0.204 4.350 293 H ASP 41 H ASP 41 -10.204 5.795 0.581 294 HA ASP 41 HA ASP 41 -10.915 7.141 -1.855 295 HB2 ASP 41 HB2 ASP 41 -10.147 8.409 0.773 296 HB3 ASP 41 HB3 ASP 41 -11.117 9.111 -0.509 297 H SER 42 H SER 42 -8.349 7.509 0.523 298 HA SER 42 HA SER 42 -6.163 7.997 -1.184 299 HB2 SER 42 HB2 SER 42 -6.099 10.511 -0.847 300 HB3 SER 42 HB3 SER 42 -7.353 9.947 -1.969 301 H LEU 43 H LEU 43 -7.827 9.176 1.693 302 HA LEU 43 HA LEU 43 -5.603 9.820 3.258 303 HB2 LEU 43 HB2 LEU 43 -8.316 8.893 4.199 304 HB3 LEU 43 HB3 LEU 43 -7.131 9.735 5.177 305 HG LEU 43 HG LEU 43 -8.543 10.881 2.768 306 HD11 LEU 43 HD11 LEU 43 -9.684 12.305 4.393 307 HD12 LEU 43 HD12 LEU 43 -8.886 11.442 5.709 308 HD13 LEU 43 HD13 LEU 43 -10.035 10.598 4.671 309 HD21 LEU 43 HD21 LEU 43 -6.302 11.782 3.050 310 HD22 LEU 43 HD22 LEU 43 -6.651 12.149 4.739 311 HD23 LEU 43 HD23 LEU 43 -7.523 12.989 3.455 312 H ALA 44 H ALA 44 -7.635 6.904 3.517 313 HA ALA 44 HA ALA 44 -5.898 5.540 5.270 314 HB1 ALA 44 HB1 ALA 44 -7.201 3.537 4.724 315 HB2 ALA 44 HB2 ALA 44 -7.914 4.370 3.344 316 HB3 ALA 44 HB3 ALA 44 -8.262 4.922 4.981 317 H LEU 45 H LEU 45 -5.931 5.937 1.865 318 HA LEU 45 HA LEU 45 -4.264 3.758 1.134 319 HB2 LEU 45 HB2 LEU 45 -5.835 5.136 -0.338 320 HB3 LEU 45 HB3 LEU 45 -4.610 6.375 -0.350 321 HG LEU 45 HG LEU 45 -4.265 3.587 -1.482 322 HD11 LEU 45 HD11 LEU 45 -4.821 6.202 -2.858 323 HD12 LEU 45 HD12 LEU 45 -5.939 4.848 -2.696 324 HD13 LEU 45 HD13 LEU 45 -4.470 4.668 -3.657 325 HD21 LEU 45 HD21 LEU 45 -2.137 4.638 -0.838 326 HD22 LEU 45 HD22 LEU 45 -2.556 6.060 -1.793 327 HD23 LEU 45 HD23 LEU 45 -2.291 4.509 -2.589 328 H MET 46 H MET 46 -3.641 7.201 1.791 329 HA MET 46 HA MET 46 -0.835 7.095 1.478 330 HB2 MET 46 HB2 MET 46 -2.518 8.951 3.166 331 HB3 MET 46 HB3 MET 46 -0.797 9.165 2.881 332 HG2 MET 46 HG2 MET 46 -1.227 9.346 0.500 333 HG3 MET 46 HG3 MET 46 -2.958 9.165 0.818 334 HE1 MET 46 HE1 MET 46 -3.308 10.860 3.493 335 HE2 MET 46 HE2 MET 46 -4.417 10.970 2.126 336 HE3 MET 46 HE3 MET 46 -3.747 12.438 2.840 337 H GLU 47 H GLU 47 -2.945 6.615 4.216 338 HA GLU 47 HA GLU 47 -1.031 6.354 6.236 339 HB2 GLU 47 HB2 GLU 47 -3.497 6.582 6.451 340 HB3 GLU 47 HB3 GLU 47 -3.662 4.908 5.981 341 HG2 GLU 47 HG2 GLU 47 -3.822 5.159 8.419 342 HG3 GLU 47 HG3 GLU 47 -2.453 4.156 7.944 343 H THR 48 H THR 48 -2.231 4.093 3.877 344 HA THR 48 HA THR 48 -1.069 1.697 4.770 345 HB THR 48 HB THR 48 -1.694 2.731 2.000 346 HG1 THR 48 HG1 THR 48 -3.487 2.473 3.460 347 HG21 THR 48 HG21 THR 48 -0.069 0.912 1.827 348 HG22 THR 48 HG22 THR 48 -1.646 0.376 1.256 349 HG23 THR 48 HG23 THR 48 -1.074 -0.110 2.856 350 H ALA 49 H ALA 49 0.059 3.959 2.248 351 HA ALA 49 HA ALA 49 2.566 2.812 1.836 352 HB1 ALA 49 HB1 ALA 49 1.742 5.680 1.410 353 HB2 ALA 49 HB2 ALA 49 1.499 4.359 0.266 354 HB3 ALA 49 HB3 ALA 49 3.132 4.877 0.682 355 H ALA 50 H ALA 50 1.601 5.505 3.912 356 HA ALA 50 HA ALA 50 4.056 6.317 4.881 357 HB1 ALA 50 HB1 ALA 50 2.850 7.301 6.730 358 HB2 ALA 50 HB2 ALA 50 1.447 6.288 6.377 359 HB3 ALA 50 HB3 ALA 50 1.958 7.522 5.226 360 H ARG 51 H ARG 51 2.082 3.634 5.925 361 HA ARG 51 HA ARG 51 3.395 3.027 8.352 362 HB2 ARG 51 HB2 ARG 51 1.217 2.057 7.504 363 HB3 ARG 51 HB3 ARG 51 2.181 1.057 6.428 364 HG2 ARG 51 HG2 ARG 51 3.314 0.101 8.391 365 HG3 ARG 51 HG3 ARG 51 2.242 1.042 9.426 366 HD2 ARG 51 HD2 ARG 51 0.345 -0.086 8.105 367 HD3 ARG 51 HD3 ARG 51 1.587 -1.241 7.611 368 HE ARG 51 HE ARG 51 1.359 -0.657 10.421 369 HH11 ARG 51 HH11 ARG 51 0.806 -3.067 7.836 370 HH12 ARG 51 HH12 ARG 51 0.199 -4.228 8.937 371 HH21 ARG 51 HH21 ARG 51 0.612 -2.296 11.854 372 HH22 ARG 51 HH22 ARG 51 0.067 -3.794 11.222 373 H LEU 52 H LEU 52 3.754 1.839 5.076 374 HA LEU 52 HA LEU 52 5.937 0.145 5.621 375 HB2 LEU 52 HB2 LEU 52 5.027 1.296 2.982 376 HB3 LEU 52 HB3 LEU 52 6.131 -0.052 3.186 377 HG LEU 52 HG LEU 52 3.216 -0.023 3.989 378 HD11 LEU 52 HD11 LEU 52 4.626 -1.518 1.805 379 HD12 LEU 52 HD12 LEU 52 3.538 -0.141 1.582 380 HD13 LEU 52 HD13 LEU 52 2.920 -1.663 2.229 381 HD21 LEU 52 HD21 LEU 52 5.251 -2.245 4.150 382 HD22 LEU 52 HD22 LEU 52 3.528 -2.402 4.489 383 HD23 LEU 52 HD23 LEU 52 4.542 -1.384 5.516 384 H GLU 53 H GLU 53 5.647 3.483 4.578 385 HA GLU 53 HA GLU 53 8.329 4.010 4.022 386 HB2 GLU 53 HB2 GLU 53 6.287 5.815 5.262 387 HB3 GLU 53 HB3 GLU 53 7.854 6.354 4.674 388 HG2 GLU 53 HG2 GLU 53 7.185 5.558 2.424 389 HG3 GLU 53 HG3 GLU 53 5.581 5.217 3.083 390 H SER 54 H SER 54 6.587 4.389 7.056 391 HA SER 54 HA SER 54 8.802 5.208 8.543 392 HB2 SER 54 HB2 SER 54 6.351 5.452 9.155 393 HB3 SER 54 HB3 SER 54 6.365 3.748 9.594 394 HG SER 54 HG SER 54 7.819 5.885 10.711 395 H ARG 55 H ARG 55 7.336 2.003 8.111 396 HA ARG 55 HA ARG 55 9.087 0.661 9.865 397 HB2 ARG 55 HB2 ARG 55 6.847 -0.168 9.211 398 HB3 ARG 55 HB3 ARG 55 7.478 -0.550 7.618 399 HG2 ARG 55 HG2 ARG 55 9.051 -2.136 8.625 400 HG3 ARG 55 HG3 ARG 55 8.399 -1.758 10.219 401 HD2 ARG 55 HD2 ARG 55 6.175 -2.531 9.437 402 HD3 ARG 55 HD3 ARG 55 6.920 -3.009 7.910 403 HE ARG 55 HE ARG 55 8.090 -4.094 10.327 404 HH11 ARG 55 HH11 ARG 55 5.861 -4.664 7.661 405 HH12 ARG 55 HH12 ARG 55 5.897 -6.356 7.783 406 HH21 ARG 55 HH21 ARG 55 8.076 -6.419 10.577 407 HH22 ARG 55 HH22 ARG 55 7.126 -7.364 9.531 408 H TYR 56 H TYR 56 9.232 0.972 6.289 409 HA TYR 56 HA TYR 56 11.693 -0.619 6.363 410 HB2 TYR 56 HB2 TYR 56 9.873 0.068 4.085 411 HB3 TYR 56 HB3 TYR 56 11.384 -0.800 3.873 412 HD1 TYR 56 HD2 TYR 56 11.658 -2.925 5.368 413 HD2 TYR 56 HD1 TYR 56 7.926 -1.107 4.472 414 HE1 TYR 56 HE2 TYR 56 10.519 -5.025 5.914 415 HE2 TYR 56 HE1 TYR 56 6.765 -3.185 5.011 416 HH TYR 56 HH TYR 56 7.373 -5.699 5.087 417 H GLY 57 H GLY 57 10.692 2.625 5.796 418 HA2 GLY 57 HA2 GLY 57 12.193 4.407 5.659 419 HA3 GLY 57 HA3 GLY 57 13.466 3.281 5.211 420 H VAL 58 H VAL 58 10.260 3.921 3.863 421 HA VAL 58 HA VAL 58 11.590 4.486 1.330 422 HB VAL 58 HB VAL 58 9.495 3.886 0.104 423 HG11 VAL 58 HG11 VAL 58 11.276 2.309 0.334 424 HG12 VAL 58 HG12 VAL 58 9.696 1.500 0.355 425 HG13 VAL 58 HG13 VAL 58 10.591 1.743 1.863 426 HG21 VAL 58 HG21 VAL 58 7.883 4.199 1.888 427 HG22 VAL 58 HG22 VAL 58 8.583 2.839 2.768 428 HG23 VAL 58 HG23 VAL 58 7.780 2.571 1.220 429 H SER 59 H SER 59 9.955 5.826 -0.192 430 HA SER 59 HA SER 59 8.947 8.063 1.371 431 HB2 SER 59 HB2 SER 59 10.895 8.309 -0.944 432 HB3 SER 59 HB3 SER 59 10.216 9.629 0.008 433 HG SER 59 HG SER 59 11.284 8.725 1.846 434 H ILE 60 H ILE 60 6.871 7.938 0.742 435 HA ILE 60 HA ILE 60 6.266 7.826 -2.131 436 HB ILE 60 HB ILE 60 4.576 6.853 0.218 437 HG12 ILE 60 HG12 ILE 60 4.373 4.748 -1.076 438 HG13 ILE 60 HG13 ILE 60 5.390 5.429 -2.342 439 HG21 ILE 60 HG21 ILE 60 3.614 7.271 -2.607 440 HG22 ILE 60 HG22 ILE 60 3.102 8.166 -1.179 441 HG23 ILE 60 HG23 ILE 60 2.714 6.452 -1.330 442 HD11 ILE 60 HD11 ILE 60 6.192 4.800 0.485 443 HD12 ILE 60 HD12 ILE 60 7.244 5.497 -0.749 444 HD13 ILE 60 HD13 ILE 60 6.597 3.869 -0.958 445 HA PRO 61 HA PRO 61 5.152 12.081 -1.328 446 HB2 PRO 61 HB2 PRO 61 4.461 11.981 -4.203 447 HB3 PRO 61 HB3 PRO 61 5.585 13.054 -3.360 448 HG2 PRO 61 HG2 PRO 61 6.472 11.112 -4.963 449 HG3 PRO 61 HG3 PRO 61 7.326 11.528 -3.463 450 HD2 PRO 61 HD2 PRO 61 5.447 9.260 -4.008 451 HD3 PRO 61 HD3 PRO 61 6.988 9.255 -3.123 452 H ASP 62 H ASP 62 3.276 13.037 -0.992 453 HA ASP 62 HA ASP 62 0.968 11.583 -0.423 454 HB2 ASP 62 HB2 ASP 62 1.102 14.548 -0.985 455 HB3 ASP 62 HB3 ASP 62 -0.163 13.715 -0.095 456 H ASP 63 H ASP 63 1.717 13.549 -3.225 457 HA ASP 63 HA ASP 63 -0.923 13.437 -4.302 458 HB2 ASP 63 HB2 ASP 63 1.689 14.316 -5.551 459 HB3 ASP 63 HB3 ASP 63 0.126 14.461 -6.341 460 H VAL 64 H VAL 64 1.881 11.478 -4.553 461 HA VAL 64 HA VAL 64 1.070 10.055 -6.945 462 HB VAL 64 HB VAL 64 3.034 9.248 -4.790 463 HG11 VAL 64 HG11 VAL 64 2.314 7.381 -6.206 464 HG12 VAL 64 HG12 VAL 64 3.994 7.789 -6.551 465 HG13 VAL 64 HG13 VAL 64 2.715 8.305 -7.653 466 HG21 VAL 64 HG21 VAL 64 3.541 10.690 -7.392 467 HG22 VAL 64 HG22 VAL 64 4.790 10.090 -6.297 468 HG23 VAL 64 HG23 VAL 64 3.696 11.368 -5.772 469 H ALA 65 H ALA 65 0.885 9.576 -3.480 470 HA ALA 65 HA ALA 65 -0.319 7.062 -3.498 471 HB1 ALA 65 HB1 ALA 65 0.577 8.107 -1.480 472 HB2 ALA 65 HB2 ALA 65 -1.105 7.619 -1.247 473 HB3 ALA 65 HB3 ALA 65 -0.703 9.318 -1.544 474 H GLY 66 H GLY 66 -1.697 10.265 -3.941 475 HA2 GLY 66 HA2 GLY 66 -4.413 9.309 -3.959 476 HA3 GLY 66 HA3 GLY 66 -3.873 10.913 -4.426 477 H ARG 67 H ARG 67 -1.947 9.041 -6.204 478 HA ARG 67 HA ARG 67 -3.768 9.138 -8.503 479 HB2 ARG 67 HB2 ARG 67 -0.778 9.290 -8.318 480 HB3 ARG 67 HB3 ARG 67 -1.622 9.056 -9.841 481 HG2 ARG 67 HG2 ARG 67 -2.706 11.179 -9.645 482 HG3 ARG 67 HG3 ARG 67 -2.089 11.392 -8.003 483 HD2 ARG 67 HD2 ARG 67 -0.820 12.671 -9.699 484 HD3 ARG 67 HD3 ARG 67 0.168 11.510 -8.812 485 HE ARG 67 HE ARG 67 -0.923 10.980 -11.489 486 HH11 ARG 67 HH11 ARG 67 1.819 11.154 -9.260 487 HH12 ARG 67 HH12 ARG 67 2.891 10.259 -10.240 488 HH21 ARG 67 HH21 ARG 67 0.582 9.734 -12.900 489 HH22 ARG 67 HH22 ARG 67 2.144 9.422 -12.354 490 H VAL 68 H VAL 68 -2.108 6.909 -6.526 491 HA VAL 68 HA VAL 68 -2.039 4.885 -8.557 492 HB VAL 68 HB VAL 68 -1.418 3.313 -6.603 493 HG11 VAL 68 HG11 VAL 68 0.882 4.175 -6.542 494 HG12 VAL 68 HG12 VAL 68 0.317 5.708 -7.214 495 HG13 VAL 68 HG13 VAL 68 0.208 4.231 -8.171 496 HG21 VAL 68 HG21 VAL 68 -0.584 4.391 -4.588 497 HG22 VAL 68 HG22 VAL 68 -2.302 4.754 -4.793 498 HG23 VAL 68 HG23 VAL 68 -1.078 5.962 -5.211 499 H ASP 69 H ASP 69 -3.526 3.650 -9.153 500 HA ASP 69 HA ASP 69 -6.133 3.736 -7.827 501 HB2 ASP 69 HB2 ASP 69 -5.962 4.352 -10.197 502 HB3 ASP 69 HB3 ASP 69 -5.274 2.781 -10.560 503 H THR 70 H THR 70 -3.472 1.672 -8.380 504 HA THR 70 HA THR 70 -4.979 -0.664 -7.453 505 HB THR 70 HB THR 70 -3.271 -1.924 -8.938 506 HG1 THR 70 HG1 THR 70 -2.254 -0.733 -10.453 507 HG21 THR 70 HG21 THR 70 -5.691 -1.828 -9.405 508 HG22 THR 70 HG22 THR 70 -4.755 -1.713 -10.895 509 HG23 THR 70 HG23 THR 70 -5.471 -0.263 -10.188 510 HA PRO 71 HA PRO 71 -1.984 -0.935 -4.164 511 HB2 PRO 71 HB2 PRO 71 -2.425 -3.865 -4.368 512 HB3 PRO 71 HB3 PRO 71 -2.612 -2.786 -2.990 513 HG2 PRO 71 HG2 PRO 71 -4.751 -3.719 -4.256 514 HG3 PRO 71 HG3 PRO 71 -4.700 -2.057 -3.639 515 HD2 PRO 71 HD2 PRO 71 -4.357 -3.056 -6.433 516 HD3 PRO 71 HD3 PRO 71 -5.225 -1.620 -5.848 517 H ARG 72 H ARG 72 -1.719 -3.280 -6.814 518 HA ARG 72 HA ARG 72 0.889 -4.146 -6.469 519 HB2 ARG 72 HB2 ARG 72 -0.598 -5.063 -8.151 520 HB3 ARG 72 HB3 ARG 72 -0.585 -3.551 -9.033 521 HG2 ARG 72 HG2 ARG 72 1.825 -3.882 -9.491 522 HG3 ARG 72 HG3 ARG 72 1.719 -5.455 -8.687 523 HD2 ARG 72 HD2 ARG 72 1.494 -5.598 -11.160 524 HD3 ARG 72 HD3 ARG 72 0.090 -6.222 -10.286 525 HE ARG 72 HE ARG 72 0.076 -3.447 -11.155 526 HH11 ARG 72 HH11 ARG 72 -1.118 -6.753 -11.776 527 HH12 ARG 72 HH12 ARG 72 -2.511 -6.247 -12.608 528 HH21 ARG 72 HH21 ARG 72 -1.808 -2.766 -12.209 529 HH22 ARG 72 HH22 ARG 72 -2.957 -3.856 -12.873 530 H GLU 73 H GLU 73 -0.286 -1.308 -8.252 531 HA GLU 73 HA GLU 73 2.261 -0.350 -8.963 532 HB2 GLU 73 HB2 GLU 73 -0.502 0.809 -9.058 533 HB3 GLU 73 HB3 GLU 73 0.886 1.840 -9.363 534 HG2 GLU 73 HG2 GLU 73 -0.136 0.995 -11.440 535 HG3 GLU 73 HG3 GLU 73 1.538 0.500 -11.264 536 H LEU 74 H LEU 74 0.304 0.093 -6.149 537 HA LEU 74 HA LEU 74 1.799 2.265 -5.006 538 HB2 LEU 74 HB2 LEU 74 -0.554 1.462 -4.334 539 HB3 LEU 74 HB3 LEU 74 0.224 0.121 -3.537 540 HG LEU 74 HG LEU 74 0.543 3.038 -2.755 541 HD11 LEU 74 HD11 LEU 74 -1.698 2.237 -2.352 542 HD12 LEU 74 HD12 LEU 74 -0.835 2.455 -0.831 543 HD13 LEU 74 HD13 LEU 74 -1.062 0.836 -1.490 544 HD21 LEU 74 HD21 LEU 74 1.415 0.537 -1.293 545 HD22 LEU 74 HD22 LEU 74 1.575 2.196 -0.704 546 HD23 LEU 74 HD23 LEU 74 2.483 1.667 -2.124 547 H LEU 75 H LEU 75 1.852 -1.251 -4.680 548 HA LEU 75 HA LEU 75 3.987 -1.547 -2.905 549 HB2 LEU 75 HB2 LEU 75 2.433 -3.344 -3.621 550 HB3 LEU 75 HB3 LEU 75 3.197 -3.356 -5.196 551 HG LEU 75 HG LEU 75 5.311 -4.082 -4.122 552 HD11 LEU 75 HD11 LEU 75 5.253 -4.882 -1.813 553 HD12 LEU 75 HD12 LEU 75 3.609 -4.272 -1.645 554 HD13 LEU 75 HD13 LEU 75 4.943 -3.149 -1.912 555 HD21 LEU 75 HD21 LEU 75 3.788 -5.720 -5.089 556 HD22 LEU 75 HD22 LEU 75 2.911 -5.820 -3.564 557 HD23 LEU 75 HD23 LEU 75 4.583 -6.374 -3.658 558 H ASP 76 H ASP 76 3.890 -1.183 -6.369 559 HA ASP 76 HA ASP 76 6.586 -1.529 -7.000 560 HB2 ASP 76 HB2 ASP 76 4.802 -1.423 -8.684 561 HB3 ASP 76 HB3 ASP 76 4.564 0.282 -8.328 562 H LEU 77 H LEU 77 4.864 1.314 -5.837 563 HA LEU 77 HA LEU 77 6.949 3.219 -6.102 564 HB2 LEU 77 HB2 LEU 77 4.760 3.081 -4.029 565 HB3 LEU 77 HB3 LEU 77 5.754 4.481 -4.358 566 HG LEU 77 HG LEU 77 3.803 3.252 -6.299 567 HD11 LEU 77 HD11 LEU 77 3.603 5.720 -4.578 568 HD12 LEU 77 HD12 LEU 77 2.688 4.226 -4.364 569 HD13 LEU 77 HD13 LEU 77 2.436 5.217 -5.802 570 HD21 LEU 77 HD21 LEU 77 5.668 4.405 -7.382 571 HD22 LEU 77 HD22 LEU 77 5.370 5.830 -6.386 572 HD23 LEU 77 HD23 LEU 77 4.167 5.313 -7.565 573 H ILE 78 H ILE 78 5.997 1.053 -3.537 574 HA ILE 78 HA ILE 78 7.813 1.809 -1.504 575 HB ILE 78 HB ILE 78 6.713 -0.969 -2.028 576 HG12 ILE 78 HG12 ILE 78 4.858 0.668 -1.972 577 HG13 ILE 78 HG13 ILE 78 4.811 -0.417 -0.592 578 HG21 ILE 78 HG21 ILE 78 6.926 -1.268 0.408 579 HG22 ILE 78 HG22 ILE 78 7.653 0.333 0.524 580 HG23 ILE 78 HG23 ILE 78 8.473 -0.943 -0.375 581 HD11 ILE 78 HD11 ILE 78 5.757 1.341 0.812 582 HD12 ILE 78 HD12 ILE 78 4.262 1.865 0.033 583 HD13 ILE 78 HD13 ILE 78 5.822 2.416 -0.584 584 H ASN 79 H ASN 79 7.840 -1.013 -3.631 585 HA ASN 79 HA ASN 79 10.454 -1.837 -3.000 586 HB2 ASN 79 HB2 ASN 79 8.703 -2.556 -5.349 587 HB3 ASN 79 HB3 ASN 79 10.232 -3.346 -4.983 588 HD21 ASN 79 HD21 ASN 79 7.613 -4.492 -5.111 589 HD22 ASN 79 HD22 ASN 79 7.265 -5.168 -3.546 590 H GLY 80 H GLY 80 9.221 0.320 -5.440 591 HA2 GLY 80 HA2 GLY 80 11.552 0.463 -7.009 592 HA3 GLY 80 HA3 GLY 80 10.289 1.685 -6.908 593 H ALA 81 H ALA 81 10.488 2.176 -4.142 594 HA ALA 81 HA ALA 81 12.656 4.009 -4.103 595 HB1 ALA 81 HB1 ALA 81 10.555 4.432 -2.880 596 HB2 ALA 81 HB2 ALA 81 11.957 4.495 -1.811 597 HB3 ALA 81 HB3 ALA 81 10.915 3.076 -1.811 598 H LEU 82 H LEU 82 12.038 0.881 -2.594 599 HA LEU 82 HA LEU 82 14.489 0.853 -1.139 600 HB2 LEU 82 HB2 LEU 82 12.487 -1.312 -1.723 601 HB3 LEU 82 HB3 LEU 82 13.922 -1.572 -0.750 602 HG LEU 82 HG LEU 82 11.770 0.432 -0.117 603 HD11 LEU 82 HD11 LEU 82 10.898 -1.819 0.075 604 HD12 LEU 82 HD12 LEU 82 11.111 -1.096 1.671 605 HD13 LEU 82 HD13 LEU 82 12.273 -2.281 1.076 606 HD21 LEU 82 HD21 LEU 82 14.120 -0.546 1.496 607 HD22 LEU 82 HD22 LEU 82 12.862 0.549 2.074 608 HD23 LEU 82 HD23 LEU 82 13.942 1.054 0.774 609 H ALA 83 H ALA 83 13.756 0.149 -4.365 610 HA ALA 83 HA ALA 83 15.644 -1.831 -4.957 611 HB1 ALA 83 HB1 ALA 83 15.455 -1.118 -7.278 612 HB2 ALA 83 HB2 ALA 83 14.685 0.383 -6.768 613 HB3 ALA 83 HB3 ALA 83 13.867 -1.159 -6.510 614 H GLU 84 H GLU 84 16.000 1.623 -4.608 615 HA GLU 84 HA GLU 84 18.885 1.221 -4.933 616 HB2 GLU 84 HB2 GLU 84 17.945 2.551 -6.805 617 HB3 GLU 84 HB3 GLU 84 17.368 3.739 -5.647 618 HG2 GLU 84 HG2 GLU 84 19.573 4.392 -5.087 619 HG3 GLU 84 HG3 GLU 84 20.269 3.020 -5.950 620 H ALA 85 H ALA 85 16.349 3.022 -3.251 621 HA ALA 85 HA ALA 85 16.127 3.742 -1.176 622 HB1 ALA 85 HB1 ALA 85 18.517 2.017 -0.525 623 HB2 ALA 85 HB2 ALA 85 16.843 1.466 -0.578 624 HB3 ALA 85 HB3 ALA 85 17.344 2.653 0.628 625 H ALA 86 H ALA 86 17.869 5.153 -3.040 626 HA ALA 86 HA ALA 86 19.228 6.819 -1.068 627 HB1 ALA 86 HB1 ALA 86 20.291 6.077 -3.803 628 HB2 ALA 86 HB2 ALA 86 20.943 5.527 -2.257 629 HB3 ALA 86 HB3 ALA 86 21.030 7.234 -2.695 630 H28 SXA 87 H28A SXA 87 -8.444 14.450 -1.174 631 H28A SXA 87 H28B SXA 87 -9.683 14.349 0.079 632 H30 SXA 87 H30A SXA 87 -7.962 13.949 2.388 633 H30A SXA 87 H30B SXA 87 -9.276 15.126 2.314 634 H30B SXA 87 H30C SXA 87 -7.662 15.626 2.825 635 H31 SXA 87 H31A SXA 87 -6.047 14.108 0.800 636 H31A SXA 87 H31B SXA 87 -5.808 15.826 1.115 637 H31B SXA 87 H31C SXA 87 -6.105 15.266 -0.531 638 H32 SXA 87 H32A SXA 87 -9.328 16.916 0.583 639 HO33 SXA 87 H33A SXA 87 -7.492 17.685 -1.100 640 HN36 SXA 87 H36A SXA 87 -7.892 17.211 2.821 641 H37 SXA 87 H37A SXA 87 -5.566 18.575 3.038 642 H37A SXA 87 H37B SXA 87 -6.735 19.841 2.666 643 H38 SXA 87 H38A SXA 87 -6.932 17.895 4.994 644 H38A SXA 87 H38B SXA 87 -6.249 19.495 5.087 645 HN41 SXA 87 H41A SXA 87 -8.652 19.780 2.919 646 H42 SXA 87 H42A SXA 87 -11.097 19.695 3.759 647 H42A SXA 87 H42B SXA 87 -10.513 21.070 4.720 648 H43 SXA 87 H43A SXA 87 -9.919 22.241 2.699 649 H43A SXA 87 H43B SXA 87 -11.589 21.660 2.479 650 H2 SXA 87 H2C SXA 87 -8.713 21.187 -1.336 651 H2A SXA 87 H2A SXA 87 -9.932 22.271 -2.016 652 H2B SXA 87 H2B SXA 87 -10.328 20.574 -1.723 Start of MODEL 11 1 H1 MET 1 H1 MET 1 19.442 -2.144 -1.842 2 H2 MET 1 H2 MET 1 20.482 -2.483 -0.594 3 H3 MET 1 H3 MET 1 18.785 -2.556 -0.338 4 HA MET 1 HA MET 1 20.403 -4.365 -2.042 5 HB2 MET 1 HB2 MET 1 18.595 -4.912 0.334 6 HB3 MET 1 HB3 MET 1 19.526 -6.102 -0.555 7 HG2 MET 1 HG2 MET 1 20.674 -3.870 1.098 8 HG3 MET 1 HG3 MET 1 20.481 -5.540 1.628 9 HE1 MET 1 HE1 MET 1 23.195 -4.007 1.840 10 HE2 MET 1 HE2 MET 1 24.321 -5.234 1.259 11 HE3 MET 1 HE3 MET 1 22.980 -5.694 2.306 12 H ALA 2 H ALA 2 18.842 -6.206 -2.726 13 HA ALA 2 HA ALA 2 16.501 -4.984 -3.884 14 HB1 ALA 2 HB1 ALA 2 16.218 -7.128 -5.057 15 HB2 ALA 2 HB2 ALA 2 17.553 -7.813 -4.125 16 HB3 ALA 2 HB3 ALA 2 17.854 -6.503 -5.265 17 H THR 3 H THR 3 15.529 -4.546 -1.898 18 HA THR 3 HA THR 3 14.460 -6.820 -0.405 19 HB THR 3 HB THR 3 14.390 -3.843 0.187 20 HG1 THR 3 HG1 THR 3 16.214 -5.907 0.825 21 HG21 THR 3 HG21 THR 3 13.915 -4.587 2.494 22 HG22 THR 3 HG22 THR 3 13.941 -6.267 1.957 23 HG23 THR 3 HG23 THR 3 12.682 -5.175 1.377 24 H LEU 4 H LEU 4 12.618 -7.499 -1.408 25 HA LEU 4 HA LEU 4 10.860 -5.483 -2.544 26 HB2 LEU 4 HB2 LEU 4 10.999 -8.461 -2.952 27 HB3 LEU 4 HB3 LEU 4 9.907 -7.362 -3.743 28 HG LEU 4 HG LEU 4 12.840 -7.429 -4.039 29 HD11 LEU 4 HD11 LEU 4 11.744 -9.315 -5.107 30 HD12 LEU 4 HD12 LEU 4 12.333 -8.196 -6.336 31 HD13 LEU 4 HD13 LEU 4 10.619 -8.225 -5.920 32 HD21 LEU 4 HD21 LEU 4 12.030 -5.156 -4.284 33 HD22 LEU 4 HD22 LEU 4 10.798 -5.692 -5.424 34 HD23 LEU 4 HD23 LEU 4 12.503 -5.786 -5.860 35 H LEU 5 H LEU 5 8.608 -5.796 -2.159 36 HA LEU 5 HA LEU 5 7.978 -7.358 0.242 37 HB2 LEU 5 HB2 LEU 5 6.641 -4.804 -0.668 38 HB3 LEU 5 HB3 LEU 5 6.214 -5.761 0.738 39 HG LEU 5 HG LEU 5 8.744 -4.211 0.335 40 HD11 LEU 5 HD11 LEU 5 7.885 -2.860 2.204 41 HD12 LEU 5 HD12 LEU 5 6.408 -3.826 2.211 42 HD13 LEU 5 HD13 LEU 5 6.801 -2.820 0.814 43 HD21 LEU 5 HD21 LEU 5 9.274 -4.828 2.650 44 HD22 LEU 5 HD22 LEU 5 9.178 -6.243 1.601 45 HD23 LEU 5 HD23 LEU 5 7.849 -5.863 2.696 46 H THR 6 H THR 6 6.172 -8.593 0.079 47 HA THR 6 HA THR 6 5.284 -8.873 -2.661 48 HB THR 6 HB THR 6 4.417 -11.090 -1.871 49 HG1 THR 6 HG1 THR 6 6.025 -11.250 0.317 50 HG21 THR 6 HG21 THR 6 6.573 -10.897 -3.029 51 HG22 THR 6 HG22 THR 6 6.640 -12.152 -1.792 52 HG23 THR 6 HG23 THR 6 7.379 -10.579 -1.491 53 H THR 7 H THR 7 2.955 -10.078 -2.487 54 HA THR 7 HA THR 7 1.026 -8.160 -2.142 55 HB THR 7 HB THR 7 0.795 -11.166 -1.988 56 HG1 THR 7 HG1 THR 7 0.559 -10.966 -4.267 57 HG21 THR 7 HG21 THR 7 -1.293 -9.980 -1.481 58 HG22 THR 7 HG22 THR 7 -1.391 -10.808 -3.036 59 HG23 THR 7 HG23 THR 7 -1.138 -9.064 -2.980 60 H ASP 8 H ASP 8 2.312 -10.562 0.065 61 HA ASP 8 HA ASP 8 0.272 -10.470 1.996 62 HB2 ASP 8 HB2 ASP 8 1.819 -12.351 1.780 63 HB3 ASP 8 HB3 ASP 8 3.127 -11.330 2.377 64 H ASP 9 H ASP 9 3.446 -8.781 1.903 65 HA ASP 9 HA ASP 9 3.128 -7.654 4.513 66 HB2 ASP 9 HB2 ASP 9 5.353 -7.730 3.048 67 HB3 ASP 9 HB3 ASP 9 4.739 -6.196 2.435 68 H LEU 10 H LEU 10 2.544 -6.552 1.294 69 HA LEU 10 HA LEU 10 1.607 -3.984 1.802 70 HB2 LEU 10 HB2 LEU 10 2.025 -4.849 -0.456 71 HB3 LEU 10 HB3 LEU 10 0.630 -5.902 -0.309 72 HG LEU 10 HG LEU 10 -0.780 -3.847 -0.018 73 HD11 LEU 10 HD11 LEU 10 0.122 -1.712 -0.798 74 HD12 LEU 10 HD12 LEU 10 1.725 -2.442 -0.913 75 HD13 LEU 10 HD13 LEU 10 0.936 -2.292 0.657 76 HD21 LEU 10 HD21 LEU 10 -0.820 -3.321 -2.415 77 HD22 LEU 10 HD22 LEU 10 -0.692 -5.057 -2.131 78 HD23 LEU 10 HD23 LEU 10 0.732 -4.132 -2.615 79 H ARG 11 H ARG 11 -0.240 -7.022 1.510 80 HA ARG 11 HA ARG 11 -2.791 -6.182 2.085 81 HB2 ARG 11 HB2 ARG 11 -2.374 -8.485 1.523 82 HB3 ARG 11 HB3 ARG 11 -1.416 -8.721 2.979 83 HG2 ARG 11 HG2 ARG 11 -3.479 -8.245 4.316 84 HG3 ARG 11 HG3 ARG 11 -4.382 -8.243 2.804 85 HD2 ARG 11 HD2 ARG 11 -4.544 -10.396 3.945 86 HD3 ARG 11 HD3 ARG 11 -3.725 -10.551 2.394 87 HE ARG 11 HE ARG 11 -1.637 -10.704 3.601 88 HH11 ARG 11 HH11 ARG 11 -4.551 -11.111 5.683 89 HH12 ARG 11 HH12 ARG 11 -3.782 -12.185 6.719 90 HH21 ARG 11 HH21 ARG 11 -0.625 -12.213 5.115 91 HH22 ARG 11 HH22 ARG 11 -1.540 -12.799 6.438 92 H ARG 12 H ARG 12 -0.410 -7.276 4.434 93 HA ARG 12 HA ARG 12 -1.954 -6.956 6.718 94 HB2 ARG 12 HB2 ARG 12 1.003 -7.023 6.275 95 HB3 ARG 12 HB3 ARG 12 0.304 -6.905 7.891 96 HG2 ARG 12 HG2 ARG 12 -0.644 -9.009 7.784 97 HG3 ARG 12 HG3 ARG 12 -0.627 -9.032 6.023 98 HD2 ARG 12 HD2 ARG 12 1.010 -10.559 7.029 99 HD3 ARG 12 HD3 ARG 12 1.743 -9.338 6.000 100 HE ARG 12 HE ARG 12 1.677 -8.702 8.810 101 HH11 ARG 12 HH11 ARG 12 3.443 -10.247 6.166 102 HH12 ARG 12 HH12 ARG 12 4.986 -10.065 6.878 103 HH21 ARG 12 HH21 ARG 12 3.840 -8.501 9.850 104 HH22 ARG 12 HH22 ARG 12 5.193 -9.158 9.048 105 H ALA 13 H ALA 13 0.243 -4.621 5.233 106 HA ALA 13 HA ALA 13 -0.246 -2.666 7.274 107 HB1 ALA 13 HB1 ALA 13 1.008 -1.145 5.848 108 HB2 ALA 13 HB2 ALA 13 0.920 -2.307 4.523 109 HB3 ALA 13 HB3 ALA 13 1.844 -2.696 5.976 110 H LEU 14 H LEU 14 -1.536 -3.318 4.032 111 HA LEU 14 HA LEU 14 -2.961 -0.977 3.633 112 HB2 LEU 14 HB2 LEU 14 -2.386 -2.927 2.068 113 HB3 LEU 14 HB3 LEU 14 -3.742 -3.767 2.776 114 HG LEU 14 HG LEU 14 -5.217 -1.960 1.941 115 HD11 LEU 14 HD11 LEU 14 -4.352 -0.478 0.179 116 HD12 LEU 14 HD12 LEU 14 -2.726 -1.096 0.474 117 HD13 LEU 14 HD13 LEU 14 -3.563 -0.183 1.729 118 HD21 LEU 14 HD21 LEU 14 -5.166 -2.713 -0.389 119 HD22 LEU 14 HD22 LEU 14 -4.982 -4.055 0.741 120 HD23 LEU 14 HD23 LEU 14 -3.577 -3.426 -0.116 121 H VAL 15 H VAL 15 -3.825 -4.050 5.166 122 HA VAL 15 HA VAL 15 -6.497 -3.530 5.874 123 HB VAL 15 HB VAL 15 -4.443 -5.205 7.384 124 HG11 VAL 15 HG11 VAL 15 -6.366 -6.337 8.390 125 HG12 VAL 15 HG12 VAL 15 -7.452 -5.212 7.577 126 HG13 VAL 15 HG13 VAL 15 -6.333 -4.625 8.808 127 HG21 VAL 15 HG21 VAL 15 -4.846 -5.972 5.082 128 HG22 VAL 15 HG22 VAL 15 -6.583 -6.083 5.458 129 HG23 VAL 15 HG23 VAL 15 -5.431 -7.117 6.289 130 H GLU 16 H GLU 16 -3.596 -3.220 7.957 131 HA GLU 16 HA GLU 16 -5.170 -2.171 10.019 132 HB2 GLU 16 HB2 GLU 16 -3.079 -1.927 11.331 133 HB3 GLU 16 HB3 GLU 16 -3.271 -3.499 10.583 134 HG2 GLU 16 HG2 GLU 16 -1.042 -3.072 10.336 135 HG3 GLU 16 HG3 GLU 16 -1.714 -2.639 8.772 136 H SER 17 H SER 17 -3.394 -0.522 7.528 137 HA SER 17 HA SER 17 -3.567 2.005 8.810 138 HB2 SER 17 HB2 SER 17 -3.099 1.247 5.927 139 HB3 SER 17 HB3 SER 17 -2.967 2.888 6.556 140 HG SER 17 HG SER 17 -1.495 0.785 7.761 141 H ALA 18 H ALA 18 -5.744 0.130 6.842 142 HA ALA 18 HA ALA 18 -7.525 2.311 6.255 143 HB1 ALA 18 HB1 ALA 18 -7.426 0.324 4.813 144 HB2 ALA 18 HB2 ALA 18 -9.052 0.593 5.440 145 HB3 ALA 18 HB3 ALA 18 -8.032 -0.664 6.142 146 H GLY 19 H GLY 19 -6.781 0.736 9.037 147 HA2 GLY 19 HA2 GLY 19 -7.856 1.323 11.115 148 HA3 GLY 19 HA3 GLY 19 -9.390 1.402 10.249 149 H GLU 20 H GLU 20 -7.463 -1.137 9.268 150 HA GLU 20 HA GLU 20 -7.338 -3.309 9.512 151 HB2 GLU 20 HB2 GLU 20 -7.033 -2.885 11.978 152 HB3 GLU 20 HB3 GLU 20 -8.765 -3.064 12.185 153 HG2 GLU 20 HG2 GLU 20 -8.647 -5.374 11.490 154 HG3 GLU 20 HG3 GLU 20 -6.929 -5.208 11.140 155 H THR 21 H THR 21 -9.920 -1.668 8.908 156 HA THR 21 HA THR 21 -11.845 -3.803 8.777 157 HB THR 21 HB THR 21 -12.014 -1.001 7.615 158 HG1 THR 21 HG1 THR 21 -12.610 -0.326 9.585 159 HG21 THR 21 HG21 THR 21 -14.439 -1.375 7.815 160 HG22 THR 21 HG22 THR 21 -14.141 -2.990 8.455 161 HG23 THR 21 HG23 THR 21 -13.706 -2.612 6.790 162 H ASP 22 H ASP 22 -10.462 -5.175 7.448 163 HA ASP 22 HA ASP 22 -9.744 -4.423 4.809 164 HB2 ASP 22 HB2 ASP 22 -9.294 -6.831 4.431 165 HB3 ASP 22 HB3 ASP 22 -8.593 -6.285 5.943 166 H GLY 23 H GLY 23 -12.464 -6.086 6.235 167 HA2 GLY 23 HA2 GLY 23 -14.664 -6.111 5.636 168 HA3 GLY 23 HA3 GLY 23 -14.281 -4.954 4.378 169 H THR 24 H THR 24 -13.048 -5.996 2.568 170 HA THR 24 HA THR 24 -14.721 -8.168 1.549 171 HB THR 24 HB THR 24 -14.648 -6.050 0.279 172 HG1 THR 24 HG1 THR 24 -14.970 -7.365 -1.235 173 HG21 THR 24 HG21 THR 24 -11.688 -6.582 -0.032 174 HG22 THR 24 HG22 THR 24 -12.423 -5.263 0.881 175 HG23 THR 24 HG23 THR 24 -12.595 -5.323 -0.874 176 H ASP 25 H ASP 25 -13.005 -9.028 -0.438 177 HA ASP 25 HA ASP 25 -11.204 -10.753 1.044 178 HB2 ASP 25 HB2 ASP 25 -11.558 -10.463 -1.964 179 HB3 ASP 25 HB3 ASP 25 -10.591 -11.673 -1.147 180 H LEU 26 H LEU 26 -9.429 -9.620 1.797 181 HA LEU 26 HA LEU 26 -8.112 -7.982 -0.228 182 HB2 LEU 26 HB2 LEU 26 -8.950 -6.871 1.912 183 HB3 LEU 26 HB3 LEU 26 -7.674 -7.748 2.741 184 HG LEU 26 HG LEU 26 -6.011 -6.632 1.270 185 HD11 LEU 26 HD11 LEU 26 -6.701 -4.677 -0.024 186 HD12 LEU 26 HD12 LEU 26 -8.390 -5.029 0.351 187 HD13 LEU 26 HD13 LEU 26 -7.445 -6.159 -0.623 188 HD21 LEU 26 HD21 LEU 26 -6.473 -5.757 3.473 189 HD22 LEU 26 HD22 LEU 26 -7.804 -4.787 2.841 190 HD23 LEU 26 HD23 LEU 26 -6.143 -4.442 2.349 191 H SER 27 H SER 27 -7.999 -10.958 0.743 192 HA SER 27 HA SER 27 -5.099 -10.952 0.508 193 HB2 SER 27 HB2 SER 27 -5.090 -13.201 1.648 194 HB3 SER 27 HB3 SER 27 -5.596 -11.877 2.687 195 HG SER 27 HG SER 27 -7.824 -12.597 1.921 196 H GLY 28 H GLY 28 -4.194 -12.163 -1.049 197 HA2 GLY 28 HA2 GLY 28 -4.255 -13.913 -2.643 198 HA3 GLY 28 HA3 GLY 28 -6.005 -13.757 -2.702 199 H ASP 29 H ASP 29 -6.864 -12.590 -4.256 200 HA ASP 29 HA ASP 29 -5.020 -11.216 -6.075 201 HB2 ASP 29 HB2 ASP 29 -7.864 -12.155 -6.525 202 HB3 ASP 29 HB3 ASP 29 -6.830 -11.402 -7.730 203 H PHE 30 H PHE 30 -4.885 -9.120 -5.626 204 HA PHE 30 HA PHE 30 -7.281 -7.543 -5.764 205 HB2 PHE 30 HB2 PHE 30 -7.061 -6.355 -3.643 206 HB3 PHE 30 HB3 PHE 30 -7.298 -8.070 -3.371 207 HD1 PHE 30 HD2 PHE 30 -5.362 -9.459 -2.634 208 HD2 PHE 30 HD1 PHE 30 -5.148 -5.221 -2.862 209 HE1 PHE 30 HE2 PHE 30 -3.396 -9.478 -1.158 210 HE2 PHE 30 HE1 PHE 30 -3.182 -5.235 -1.388 211 HZ PHE 30 HZ PHE 30 -2.305 -7.363 -0.535 212 H LEU 31 H LEU 31 -3.804 -7.786 -5.917 213 HA LEU 31 HA LEU 31 -2.967 -5.238 -5.902 214 HB2 LEU 31 HB2 LEU 31 -2.070 -7.680 -7.234 215 HB3 LEU 31 HB3 LEU 31 -1.454 -6.184 -7.906 216 HG LEU 31 HG LEU 31 -0.594 -5.556 -5.729 217 HD11 LEU 31 HD11 LEU 31 -0.483 -7.137 -3.890 218 HD12 LEU 31 HD12 LEU 31 -1.548 -8.224 -4.794 219 HD13 LEU 31 HD13 LEU 31 -2.127 -6.632 -4.291 220 HD21 LEU 31 HD21 LEU 31 0.864 -6.721 -7.268 221 HD22 LEU 31 HD22 LEU 31 0.312 -8.276 -6.642 222 HD23 LEU 31 HD23 LEU 31 1.237 -7.186 -5.608 223 H ASP 32 H ASP 32 -4.772 -6.663 -8.588 224 HA ASP 32 HA ASP 32 -4.229 -4.188 -10.019 225 HB2 ASP 32 HB2 ASP 32 -5.250 -6.835 -11.009 226 HB3 ASP 32 HB3 ASP 32 -5.079 -5.397 -12.007 227 H LEU 33 H LEU 33 -6.359 -5.065 -7.873 228 HA LEU 33 HA LEU 33 -8.754 -4.240 -9.290 229 HB2 LEU 33 HB2 LEU 33 -8.350 -4.989 -6.395 230 HB3 LEU 33 HB3 LEU 33 -9.897 -4.668 -7.157 231 HG LEU 33 HG LEU 33 -8.045 -6.969 -7.782 232 HD11 LEU 33 HD11 LEU 33 -9.838 -8.339 -6.884 233 HD12 LEU 33 HD12 LEU 33 -10.740 -6.879 -6.472 234 HD13 LEU 33 HD13 LEU 33 -9.200 -7.219 -5.675 235 HD21 LEU 33 HD21 LEU 33 -9.832 -7.761 -9.259 236 HD22 LEU 33 HD22 LEU 33 -9.195 -6.204 -9.796 237 HD23 LEU 33 HD23 LEU 33 -10.739 -6.280 -8.953 238 H ARG 34 H ARG 34 -9.869 -2.307 -8.781 239 HA ARG 34 HA ARG 34 -8.054 -0.220 -8.008 240 HB2 ARG 34 HB2 ARG 34 -10.921 -0.085 -8.916 241 HB3 ARG 34 HB3 ARG 34 -9.970 1.329 -8.486 242 HG2 ARG 34 HG2 ARG 34 -8.315 0.633 -10.223 243 HG3 ARG 34 HG3 ARG 34 -9.476 -0.598 -10.730 244 HD2 ARG 34 HD2 ARG 34 -11.116 1.105 -11.236 245 HD3 ARG 34 HD3 ARG 34 -10.047 2.358 -10.609 246 HE ARG 34 HE ARG 34 -9.761 0.878 -13.107 247 HH11 ARG 34 HH11 ARG 34 -8.582 3.438 -10.922 248 HH12 ARG 34 HH12 ARG 34 -7.534 4.116 -12.053 249 HH21 ARG 34 HH21 ARG 34 -8.317 1.896 -14.720 250 HH22 ARG 34 HH22 ARG 34 -7.407 3.248 -14.258 251 H PHE 35 H PHE 35 -8.052 1.071 -6.327 252 HA PHE 35 HA PHE 35 -8.709 0.090 -3.840 253 HB2 PHE 35 HB2 PHE 35 -8.082 2.893 -4.687 254 HB3 PHE 35 HB3 PHE 35 -8.378 2.473 -3.002 255 HD1 PHE 35 HD2 PHE 35 -6.906 0.748 -1.919 256 HD2 PHE 35 HD1 PHE 35 -5.995 2.519 -5.673 257 HE1 PHE 35 HE2 PHE 35 -4.559 0.077 -1.654 258 HE2 PHE 35 HE1 PHE 35 -3.646 1.851 -5.416 259 HZ PHE 35 HZ PHE 35 -2.922 0.632 -3.406 260 H GLU 36 H GLU 36 -10.636 2.379 -5.723 261 HA GLU 36 HA GLU 36 -12.495 2.925 -3.773 262 HB2 GLU 36 HB2 GLU 36 -14.034 3.200 -5.885 263 HB3 GLU 36 HB3 GLU 36 -12.832 4.401 -5.437 264 HG2 GLU 36 HG2 GLU 36 -12.340 2.215 -7.449 265 HG3 GLU 36 HG3 GLU 36 -13.038 3.776 -7.883 266 H ASP 37 H ASP 37 -12.229 0.092 -5.728 267 HA ASP 37 HA ASP 37 -14.927 -0.719 -5.084 268 HB2 ASP 37 HB2 ASP 37 -14.024 -1.457 -7.222 269 HB3 ASP 37 HB3 ASP 37 -12.686 -2.263 -6.409 270 H ILE 38 H ILE 38 -11.719 -1.187 -3.873 271 HA ILE 38 HA ILE 38 -12.703 -3.262 -2.099 272 HB ILE 38 HB ILE 38 -10.370 -3.554 -1.308 273 HG12 ILE 38 HG12 ILE 38 -9.671 -1.502 -3.434 274 HG13 ILE 38 HG13 ILE 38 -9.602 -1.221 -1.700 275 HG21 ILE 38 HG21 ILE 38 -9.495 -4.541 -3.381 276 HG22 ILE 38 HG22 ILE 38 -10.728 -3.674 -4.297 277 HG23 ILE 38 HG23 ILE 38 -11.203 -4.909 -3.132 278 HD11 ILE 38 HD11 ILE 38 -7.859 -2.929 -1.508 279 HD12 ILE 38 HD12 ILE 38 -7.395 -1.630 -2.602 280 HD13 ILE 38 HD13 ILE 38 -7.916 -3.183 -3.255 281 H GLY 39 H GLY 39 -13.220 -0.272 -1.970 282 HA2 GLY 39 HA2 GLY 39 -14.054 1.000 -0.232 283 HA3 GLY 39 HA3 GLY 39 -13.588 -0.285 0.868 284 H TYR 40 H TYR 40 -11.420 1.496 -1.291 285 HA TYR 40 HA TYR 40 -10.176 2.642 1.107 286 HB2 TYR 40 HB2 TYR 40 -8.882 1.433 -1.321 287 HB3 TYR 40 HB3 TYR 40 -8.059 2.646 -0.371 288 HD1 TYR 40 HD1 TYR 40 -10.009 -0.447 0.229 289 HD2 TYR 40 HD2 TYR 40 -6.584 1.854 1.189 290 HE1 TYR 40 HE1 TYR 40 -9.289 -2.193 1.742 291 HE2 TYR 40 HE2 TYR 40 -5.819 0.110 2.717 292 HH TYR 40 HH TYR 40 -7.309 -2.986 2.815 293 H ASP 41 H ASP 41 -9.964 4.735 1.182 294 HA ASP 41 HA ASP 41 -10.203 6.305 -1.293 295 HB2 ASP 41 HB2 ASP 41 -9.914 7.327 1.527 296 HB3 ASP 41 HB3 ASP 41 -10.304 8.258 0.114 297 H SER 42 H SER 42 -8.621 8.235 -1.175 298 HA SER 42 HA SER 42 -6.045 7.226 -1.357 299 HB2 SER 42 HB2 SER 42 -5.282 9.453 -1.699 300 HB3 SER 42 HB3 SER 42 -6.856 9.329 -2.484 301 H LEU 43 H LEU 43 -7.722 8.708 1.339 302 HA LEU 43 HA LEU 43 -5.522 9.239 2.987 303 HB2 LEU 43 HB2 LEU 43 -8.322 8.472 3.792 304 HB3 LEU 43 HB3 LEU 43 -7.121 9.151 4.870 305 HG LEU 43 HG LEU 43 -8.320 10.528 2.474 306 HD11 LEU 43 HD11 LEU 43 -8.710 10.995 5.428 307 HD12 LEU 43 HD12 LEU 43 -9.887 10.308 4.311 308 HD13 LEU 43 HD13 LEU 43 -9.370 11.983 4.121 309 HD21 LEU 43 HD21 LEU 43 -7.117 12.498 3.265 310 HD22 LEU 43 HD22 LEU 43 -6.001 11.198 2.846 311 HD23 LEU 43 HD23 LEU 43 -6.366 11.538 4.537 312 H ALA 44 H ALA 44 -7.557 6.329 2.933 313 HA ALA 44 HA ALA 44 -6.098 4.895 4.897 314 HB1 ALA 44 HB1 ALA 44 -7.211 2.896 4.012 315 HB2 ALA 44 HB2 ALA 44 -7.732 3.809 2.596 316 HB3 ALA 44 HB3 ALA 44 -8.351 4.230 4.192 317 H LEU 45 H LEU 45 -5.870 5.203 1.482 318 HA LEU 45 HA LEU 45 -3.977 3.220 0.876 319 HB2 LEU 45 HB2 LEU 45 -5.662 4.593 -0.480 320 HB3 LEU 45 HB3 LEU 45 -4.443 5.819 -0.571 321 HG LEU 45 HG LEU 45 -4.403 3.048 -1.735 322 HD11 LEU 45 HD11 LEU 45 -4.469 5.775 -2.975 323 HD12 LEU 45 HD12 LEU 45 -5.789 4.603 -2.852 324 HD13 LEU 45 HD13 LEU 45 -4.380 4.233 -3.848 325 HD21 LEU 45 HD21 LEU 45 -2.238 5.144 -1.889 326 HD22 LEU 45 HD22 LEU 45 -2.274 3.610 -2.767 327 HD23 LEU 45 HD23 LEU 45 -2.140 3.619 -1.007 328 H MET 46 H MET 46 -3.671 6.734 1.412 329 HA MET 46 HA MET 46 -0.887 7.024 1.175 330 HB2 MET 46 HB2 MET 46 -2.859 8.612 2.830 331 HB3 MET 46 HB3 MET 46 -1.188 9.074 2.592 332 HG2 MET 46 HG2 MET 46 -1.582 9.390 0.227 333 HG3 MET 46 HG3 MET 46 -3.233 8.789 0.414 334 HE1 MET 46 HE1 MET 46 -4.213 10.991 -0.761 335 HE2 MET 46 HE2 MET 46 -2.575 11.607 -0.969 336 HE3 MET 46 HE3 MET 46 -3.812 12.627 -0.239 337 H GLU 47 H GLU 47 -2.958 6.398 3.945 338 HA GLU 47 HA GLU 47 -1.007 6.495 5.959 339 HB2 GLU 47 HB2 GLU 47 -3.538 6.464 6.173 340 HB3 GLU 47 HB3 GLU 47 -3.455 4.728 5.939 341 HG2 GLU 47 HG2 GLU 47 -3.649 5.278 8.292 342 HG3 GLU 47 HG3 GLU 47 -2.101 4.504 7.952 343 H THR 48 H THR 48 -2.117 3.904 3.879 344 HA THR 48 HA THR 48 -0.726 1.711 4.935 345 HB THR 48 HB THR 48 -1.534 2.417 2.108 346 HG1 THR 48 HG1 THR 48 -3.289 2.199 3.542 347 HG21 THR 48 HG21 THR 48 -0.638 -0.256 3.214 348 HG22 THR 48 HG22 THR 48 0.185 0.725 1.980 349 HG23 THR 48 HG23 THR 48 -1.390 -0.001 1.636 350 H ALA 49 H ALA 49 0.104 3.848 2.216 351 HA ALA 49 HA ALA 49 2.687 2.935 1.725 352 HB1 ALA 49 HB1 ALA 49 1.424 4.408 0.220 353 HB2 ALA 49 HB2 ALA 49 3.034 5.037 0.560 354 HB3 ALA 49 HB3 ALA 49 1.623 5.732 1.364 355 H ALA 50 H ALA 50 1.533 5.545 3.796 356 HA ALA 50 HA ALA 50 3.925 6.599 4.664 357 HB1 ALA 50 HB1 ALA 50 1.742 7.642 5.028 358 HB2 ALA 50 HB2 ALA 50 2.687 7.545 6.512 359 HB3 ALA 50 HB3 ALA 50 1.363 6.412 6.233 360 H ARG 51 H ARG 51 2.125 3.858 5.993 361 HA ARG 51 HA ARG 51 3.797 3.526 8.237 362 HB2 ARG 51 HB2 ARG 51 1.637 2.360 8.123 363 HB3 ARG 51 HB3 ARG 51 2.244 1.367 6.792 364 HG2 ARG 51 HG2 ARG 51 4.076 0.607 8.293 365 HG3 ARG 51 HG3 ARG 51 3.271 1.449 9.607 366 HD2 ARG 51 HD2 ARG 51 1.350 0.016 9.378 367 HD3 ARG 51 HD3 ARG 51 2.082 -0.776 7.973 368 HE ARG 51 HE ARG 51 3.795 -0.832 10.235 369 HH11 ARG 51 HH11 ARG 51 1.075 -2.472 8.744 370 HH12 ARG 51 HH12 ARG 51 1.277 -3.949 9.571 371 HH21 ARG 51 HH21 ARG 51 4.128 -2.866 11.425 372 HH22 ARG 51 HH22 ARG 51 3.041 -4.138 11.191 373 H LEU 52 H LEU 52 3.836 2.005 5.030 374 HA LEU 52 HA LEU 52 6.094 0.409 5.612 375 HB2 LEU 52 HB2 LEU 52 5.128 1.217 2.829 376 HB3 LEU 52 HB3 LEU 52 6.168 -0.143 3.225 377 HG LEU 52 HG LEU 52 3.303 0.063 4.076 378 HD11 LEU 52 HD11 LEU 52 3.540 -0.226 1.650 379 HD12 LEU 52 HD12 LEU 52 2.940 -1.694 2.415 380 HD13 LEU 52 HD13 LEU 52 4.631 -1.584 1.928 381 HD21 LEU 52 HD21 LEU 52 5.321 -2.175 4.278 382 HD22 LEU 52 HD22 LEU 52 3.618 -2.276 4.727 383 HD23 LEU 52 HD23 LEU 52 4.708 -1.214 5.622 384 H GLU 53 H GLU 53 5.743 3.692 4.470 385 HA GLU 53 HA GLU 53 8.367 4.263 3.687 386 HB2 GLU 53 HB2 GLU 53 6.578 6.025 5.323 387 HB3 GLU 53 HB3 GLU 53 8.018 6.550 4.484 388 HG2 GLU 53 HG2 GLU 53 6.895 6.004 2.353 389 HG3 GLU 53 HG3 GLU 53 5.436 5.615 3.272 390 H SER 54 H SER 54 6.907 4.709 6.885 391 HA SER 54 HA SER 54 9.241 5.444 8.234 392 HB2 SER 54 HB2 SER 54 6.813 4.080 9.397 393 HB3 SER 54 HB3 SER 54 7.911 5.205 10.202 394 HG SER 54 HG SER 54 5.701 5.734 8.921 395 H ARG 55 H ARG 55 7.597 2.388 7.838 396 HA ARG 55 HA ARG 55 9.093 0.855 9.645 397 HB2 ARG 55 HB2 ARG 55 6.826 0.365 8.820 398 HB3 ARG 55 HB3 ARG 55 7.498 -0.025 7.253 399 HG2 ARG 55 HG2 ARG 55 8.684 -1.904 8.206 400 HG3 ARG 55 HG3 ARG 55 8.080 -1.482 9.817 401 HD2 ARG 55 HD2 ARG 55 5.777 -1.749 8.991 402 HD3 ARG 55 HD3 ARG 55 6.417 -2.243 7.424 403 HE ARG 55 HE ARG 55 7.165 -3.733 9.812 404 HH11 ARG 55 HH11 ARG 55 5.390 -3.643 6.724 405 HH12 ARG 55 HH12 ARG 55 5.218 -5.317 6.630 406 HH21 ARG 55 HH21 ARG 55 6.791 -6.020 9.714 407 HH22 ARG 55 HH22 ARG 55 5.943 -6.693 8.373 408 H TYR 56 H TYR 56 9.519 1.418 6.154 409 HA TYR 56 HA TYR 56 11.849 -0.360 6.285 410 HB2 TYR 56 HB2 TYR 56 10.119 0.330 3.927 411 HB3 TYR 56 HB3 TYR 56 11.633 -0.559 3.811 412 HD1 TYR 56 HD2 TYR 56 11.829 -2.796 4.842 413 HD2 TYR 56 HD1 TYR 56 8.119 -0.728 4.700 414 HE1 TYR 56 HE2 TYR 56 10.650 -4.891 5.338 415 HE2 TYR 56 HE1 TYR 56 6.926 -2.810 5.191 416 HH TYR 56 HH TYR 56 7.224 -5.153 5.073 417 H GLY 57 H GLY 57 11.120 2.920 5.990 418 HA2 GLY 57 HA2 GLY 57 12.690 4.622 5.888 419 HA3 GLY 57 HA3 GLY 57 13.899 3.455 5.366 420 H VAL 58 H VAL 58 10.771 4.563 4.132 421 HA VAL 58 HA VAL 58 12.085 5.309 1.634 422 HB VAL 58 HB VAL 58 10.426 4.335 0.179 423 HG11 VAL 58 HG11 VAL 58 10.706 1.959 0.512 424 HG12 VAL 58 HG12 VAL 58 11.260 2.280 2.157 425 HG13 VAL 58 HG13 VAL 58 12.215 2.850 0.778 426 HG21 VAL 58 HG21 VAL 58 8.577 2.921 0.954 427 HG22 VAL 58 HG22 VAL 58 8.427 4.578 1.543 428 HG23 VAL 58 HG23 VAL 58 8.992 3.305 2.625 429 H SER 59 H SER 59 10.350 6.505 0.181 430 HA SER 59 HA SER 59 8.472 7.923 1.851 431 HB2 SER 59 HB2 SER 59 10.557 9.302 1.810 432 HB3 SER 59 HB3 SER 59 10.457 9.354 0.053 433 HG SER 59 HG SER 59 8.254 10.189 1.608 434 H ILE 60 H ILE 60 6.654 7.971 0.936 435 HA ILE 60 HA ILE 60 6.373 7.742 -1.989 436 HB ILE 60 HB ILE 60 4.374 6.851 0.128 437 HG12 ILE 60 HG12 ILE 60 6.302 5.344 0.176 438 HG13 ILE 60 HG13 ILE 60 4.898 4.522 -0.492 439 HG21 ILE 60 HG21 ILE 60 3.325 7.536 -1.945 440 HG22 ILE 60 HG22 ILE 60 3.183 5.789 -1.741 441 HG23 ILE 60 HG23 ILE 60 4.374 6.453 -2.861 442 HD11 ILE 60 HD11 ILE 60 6.933 3.955 -1.710 443 HD12 ILE 60 HD12 ILE 60 7.211 5.662 -2.059 444 HD13 ILE 60 HD13 ILE 60 5.811 4.838 -2.748 445 HA PRO 61 HA PRO 61 5.053 11.956 -1.007 446 HB2 PRO 61 HB2 PRO 61 4.407 11.849 -3.911 447 HB3 PRO 61 HB3 PRO 61 5.309 13.070 -3.001 448 HG2 PRO 61 HG2 PRO 61 6.607 11.351 -4.543 449 HG3 PRO 61 HG3 PRO 61 7.252 11.788 -2.949 450 HD2 PRO 61 HD2 PRO 61 5.792 9.310 -3.790 451 HD3 PRO 61 HD3 PRO 61 7.198 9.478 -2.719 452 H ASP 62 H ASP 62 3.170 12.924 -0.697 453 HA ASP 62 HA ASP 62 0.839 11.562 -0.164 454 HB2 ASP 62 HB2 ASP 62 1.479 13.753 0.757 455 HB3 ASP 62 HB3 ASP 62 1.185 14.496 -0.805 456 H ASP 63 H ASP 63 1.584 13.565 -2.965 457 HA ASP 63 HA ASP 63 -0.999 13.193 -4.171 458 HB2 ASP 63 HB2 ASP 63 1.529 14.319 -5.366 459 HB3 ASP 63 HB3 ASP 63 -0.042 14.321 -6.158 460 H VAL 64 H VAL 64 1.797 11.359 -4.139 461 HA VAL 64 HA VAL 64 1.141 9.875 -6.580 462 HB VAL 64 HB VAL 64 3.175 9.275 -4.400 463 HG11 VAL 64 HG11 VAL 64 4.171 7.759 -6.061 464 HG12 VAL 64 HG12 VAL 64 2.869 8.143 -7.188 465 HG13 VAL 64 HG13 VAL 64 2.510 7.296 -5.687 466 HG21 VAL 64 HG21 VAL 64 3.560 10.569 -7.099 467 HG22 VAL 64 HG22 VAL 64 4.851 10.116 -5.980 468 HG23 VAL 64 HG23 VAL 64 3.689 11.363 -5.529 469 H ALA 65 H ALA 65 1.340 9.171 -3.140 470 HA ALA 65 HA ALA 65 0.090 6.690 -3.186 471 HB1 ALA 65 HB1 ALA 65 1.322 7.564 -1.254 472 HB2 ALA 65 HB2 ALA 65 -0.288 7.007 -0.802 473 HB3 ALA 65 HB3 ALA 65 0.033 8.733 -0.967 474 H GLY 66 H GLY 66 -1.345 9.921 -2.940 475 HA2 GLY 66 HA2 GLY 66 -3.992 8.734 -2.776 476 HA3 GLY 66 HA3 GLY 66 -3.605 10.443 -2.668 477 H ARG 67 H ARG 67 -2.357 8.479 -5.235 478 HA ARG 67 HA ARG 67 -4.388 9.543 -7.081 479 HB2 ARG 67 HB2 ARG 67 -2.497 11.068 -7.037 480 HB3 ARG 67 HB3 ARG 67 -1.412 9.750 -7.411 481 HG2 ARG 67 HG2 ARG 67 -2.472 9.525 -9.603 482 HG3 ARG 67 HG3 ARG 67 -3.531 10.891 -9.204 483 HD2 ARG 67 HD2 ARG 67 -1.610 12.317 -8.898 484 HD3 ARG 67 HD3 ARG 67 -0.527 10.968 -9.226 485 HE ARG 67 HE ARG 67 -2.305 11.331 -11.362 486 HH11 ARG 67 HH11 ARG 67 0.518 12.844 -9.840 487 HH12 ARG 67 HH12 ARG 67 1.117 13.538 -11.273 488 HH21 ARG 67 HH21 ARG 67 -1.444 12.295 -13.376 489 HH22 ARG 67 HH22 ARG 67 -0.055 13.284 -13.267 490 H VAL 68 H VAL 68 -2.457 6.971 -6.034 491 HA VAL 68 HA VAL 68 -2.266 5.702 -8.554 492 HB VAL 68 HB VAL 68 -1.570 3.636 -7.120 493 HG11 VAL 68 HG11 VAL 68 0.679 4.570 -6.815 494 HG12 VAL 68 HG12 VAL 68 0.034 6.200 -7.020 495 HG13 VAL 68 HG13 VAL 68 -0.001 5.060 -8.367 496 HG21 VAL 68 HG21 VAL 68 -1.373 5.839 -5.091 497 HG22 VAL 68 HG22 VAL 68 -0.779 4.190 -4.885 498 HG23 VAL 68 HG23 VAL 68 -2.520 4.498 -5.002 499 H ASP 69 H ASP 69 -3.186 3.898 -9.226 500 HA ASP 69 HA ASP 69 -6.058 3.977 -8.824 501 HB2 ASP 69 HB2 ASP 69 -4.387 2.512 -10.879 502 HB3 ASP 69 HB3 ASP 69 -6.133 2.665 -10.895 503 H THR 70 H THR 70 -3.418 1.595 -8.733 504 HA THR 70 HA THR 70 -5.236 -0.267 -7.410 505 HB THR 70 HB THR 70 -4.051 -2.074 -8.749 506 HG1 THR 70 HG1 THR 70 -3.447 -0.699 -10.910 507 HG21 THR 70 HG21 THR 70 -5.456 -1.744 -10.751 508 HG22 THR 70 HG22 THR 70 -5.725 -0.066 -10.282 509 HG23 THR 70 HG23 THR 70 -6.349 -1.375 -9.274 510 HA PRO 71 HA PRO 71 -2.020 -1.034 -4.360 511 HB2 PRO 71 HB2 PRO 71 -2.544 -3.924 -4.942 512 HB3 PRO 71 HB3 PRO 71 -2.493 -3.087 -3.392 513 HG2 PRO 71 HG2 PRO 71 -4.826 -3.741 -4.445 514 HG3 PRO 71 HG3 PRO 71 -4.611 -2.169 -3.654 515 HD2 PRO 71 HD2 PRO 71 -4.729 -2.829 -6.563 516 HD3 PRO 71 HD3 PRO 71 -5.384 -1.426 -5.699 517 H ARG 72 H ARG 72 -2.024 -2.779 -7.366 518 HA ARG 72 HA ARG 72 0.470 -3.856 -7.750 519 HB2 ARG 72 HB2 ARG 72 -1.251 -3.982 -9.394 520 HB3 ARG 72 HB3 ARG 72 -1.368 -2.244 -9.516 521 HG2 ARG 72 HG2 ARG 72 -0.349 -3.057 -11.511 522 HG3 ARG 72 HG3 ARG 72 0.927 -2.290 -10.567 523 HD2 ARG 72 HD2 ARG 72 1.658 -4.395 -11.536 524 HD3 ARG 72 HD3 ARG 72 1.650 -4.460 -9.772 525 HE ARG 72 HE ARG 72 -0.767 -5.401 -11.022 526 HH11 ARG 72 HH11 ARG 72 2.513 -6.384 -10.076 527 HH12 ARG 72 HH12 ARG 72 2.084 -7.978 -9.676 528 HH21 ARG 72 HH21 ARG 72 -1.359 -7.595 -10.544 529 HH22 ARG 72 HH22 ARG 72 -0.182 -8.678 -9.931 530 H GLU 73 H GLU 73 -0.513 -0.569 -8.450 531 HA GLU 73 HA GLU 73 1.991 0.433 -9.201 532 HB2 GLU 73 HB2 GLU 73 -0.450 1.883 -8.212 533 HB3 GLU 73 HB3 GLU 73 0.878 2.584 -9.129 534 HG2 GLU 73 HG2 GLU 73 -0.978 0.425 -10.117 535 HG3 GLU 73 HG3 GLU 73 -1.073 2.136 -10.526 536 H LEU 74 H LEU 74 0.197 0.499 -6.195 537 HA LEU 74 HA LEU 74 1.908 2.311 -4.833 538 HB2 LEU 74 HB2 LEU 74 -0.528 1.700 -4.282 539 HB3 LEU 74 HB3 LEU 74 0.122 0.242 -3.563 540 HG LEU 74 HG LEU 74 -0.503 2.067 -1.945 541 HD11 LEU 74 HD11 LEU 74 0.984 0.291 -1.239 542 HD12 LEU 74 HD12 LEU 74 1.444 1.827 -0.504 543 HD13 LEU 74 HD13 LEU 74 2.370 1.185 -1.862 544 HD21 LEU 74 HD21 LEU 74 0.253 3.974 -3.232 545 HD22 LEU 74 HD22 LEU 74 1.924 3.427 -3.104 546 HD23 LEU 74 HD23 LEU 74 1.050 3.939 -1.661 547 H LEU 75 H LEU 75 1.630 -1.220 -4.813 548 HA LEU 75 HA LEU 75 3.640 -1.762 -2.962 549 HB2 LEU 75 HB2 LEU 75 1.993 -3.399 -3.715 550 HB3 LEU 75 HB3 LEU 75 2.710 -3.437 -5.308 551 HG LEU 75 HG LEU 75 4.774 -4.393 -4.317 552 HD11 LEU 75 HD11 LEU 75 4.734 -5.204 -2.009 553 HD12 LEU 75 HD12 LEU 75 3.158 -4.452 -1.769 554 HD13 LEU 75 HD13 LEU 75 4.577 -3.448 -2.075 555 HD21 LEU 75 HD21 LEU 75 3.833 -6.604 -3.832 556 HD22 LEU 75 HD22 LEU 75 3.048 -5.851 -5.225 557 HD23 LEU 75 HD23 LEU 75 2.235 -5.876 -3.662 558 H ASP 76 H ASP 76 3.766 -1.334 -6.460 559 HA ASP 76 HA ASP 76 6.504 -1.976 -6.724 560 HB2 ASP 76 HB2 ASP 76 4.967 -2.040 -8.634 561 HB3 ASP 76 HB3 ASP 76 4.790 -0.289 -8.550 562 H LEU 77 H LEU 77 4.829 1.035 -6.068 563 HA LEU 77 HA LEU 77 6.952 2.858 -6.308 564 HB2 LEU 77 HB2 LEU 77 4.672 2.794 -4.336 565 HB3 LEU 77 HB3 LEU 77 5.755 4.151 -4.529 566 HG LEU 77 HG LEU 77 3.968 3.109 -6.713 567 HD11 LEU 77 HD11 LEU 77 2.530 5.011 -6.163 568 HD12 LEU 77 HD12 LEU 77 3.575 5.405 -4.798 569 HD13 LEU 77 HD13 LEU 77 2.662 3.899 -4.801 570 HD21 LEU 77 HD21 LEU 77 5.513 5.681 -6.377 571 HD22 LEU 77 HD22 LEU 77 4.444 5.286 -7.723 572 HD23 LEU 77 HD23 LEU 77 5.928 4.362 -7.472 573 H ILE 78 H ILE 78 5.828 0.977 -3.565 574 HA ILE 78 HA ILE 78 7.736 1.762 -1.652 575 HB ILE 78 HB ILE 78 6.428 -0.969 -1.891 576 HG12 ILE 78 HG12 ILE 78 4.736 0.853 -1.889 577 HG13 ILE 78 HG13 ILE 78 4.642 -0.150 -0.451 578 HG21 ILE 78 HG21 ILE 78 8.271 -0.934 -0.317 579 HG22 ILE 78 HG22 ILE 78 6.741 -1.078 0.546 580 HG23 ILE 78 HG23 ILE 78 7.583 0.471 0.497 581 HD11 ILE 78 HD11 ILE 78 4.332 2.198 0.077 582 HD12 ILE 78 HD12 ILE 78 5.899 2.581 -0.635 583 HD13 ILE 78 HD13 ILE 78 5.811 1.584 0.818 584 H ASN 79 H ASN 79 7.637 -1.073 -3.797 585 HA ASN 79 HA ASN 79 10.117 -2.151 -2.968 586 HB2 ASN 79 HB2 ASN 79 8.520 -2.648 -5.485 587 HB3 ASN 79 HB3 ASN 79 10.028 -3.481 -5.147 588 HD21 ASN 79 HD21 ASN 79 7.603 -2.689 -2.707 589 HD22 ASN 79 HD22 ASN 79 7.110 -4.321 -2.425 590 H GLY 80 H GLY 80 9.300 0.041 -5.582 591 HA2 GLY 80 HA2 GLY 80 11.805 0.088 -6.853 592 HA3 GLY 80 HA3 GLY 80 10.594 1.360 -6.920 593 H ALA 81 H ALA 81 10.482 2.019 -4.221 594 HA ALA 81 HA ALA 81 12.719 3.753 -4.009 595 HB1 ALA 81 HB1 ALA 81 10.499 4.342 -3.125 596 HB2 ALA 81 HB2 ALA 81 11.739 4.428 -1.872 597 HB3 ALA 81 HB3 ALA 81 10.644 3.048 -1.932 598 H LEU 82 H LEU 82 11.782 0.761 -2.445 599 HA LEU 82 HA LEU 82 13.850 0.541 -0.573 600 HB2 LEU 82 HB2 LEU 82 12.264 -1.556 -2.035 601 HB3 LEU 82 HB3 LEU 82 13.424 -1.945 -0.786 602 HG LEU 82 HG LEU 82 11.006 -0.196 -0.336 603 HD11 LEU 82 HD11 LEU 82 11.438 -3.115 0.310 604 HD12 LEU 82 HD12 LEU 82 10.339 -2.484 -0.916 605 HD13 LEU 82 HD13 LEU 82 10.046 -2.142 0.789 606 HD21 LEU 82 HD21 LEU 82 11.509 -0.582 1.993 607 HD22 LEU 82 HD22 LEU 82 12.878 0.184 1.181 608 HD23 LEU 82 HD23 LEU 82 12.923 -1.541 1.555 609 H ALA 83 H ALA 83 13.602 -0.866 -3.820 610 HA ALA 83 HA ALA 83 16.150 -2.030 -3.841 611 HB1 ALA 83 HB1 ALA 83 14.338 -2.701 -5.348 612 HB2 ALA 83 HB2 ALA 83 15.815 -2.315 -6.232 613 HB3 ALA 83 HB3 ALA 83 14.480 -1.163 -6.197 614 H GLU 84 H GLU 84 15.043 1.102 -5.089 615 HA GLU 84 HA GLU 84 17.789 2.035 -4.973 616 HB2 GLU 84 HB2 GLU 84 17.539 1.193 -7.259 617 HB3 GLU 84 HB3 GLU 84 16.092 2.158 -7.475 618 HG2 GLU 84 HG2 GLU 84 17.472 4.193 -7.218 619 HG3 GLU 84 HG3 GLU 84 18.905 3.167 -7.128 620 H ALA 85 H ALA 85 14.879 3.314 -6.539 621 HA ALA 85 HA ALA 85 14.018 5.045 -4.546 622 HB1 ALA 85 HB1 ALA 85 15.750 6.319 -6.689 623 HB2 ALA 85 HB2 ALA 85 16.118 6.258 -4.964 624 HB3 ALA 85 HB3 ALA 85 14.741 7.196 -5.538 625 H ALA 86 H ALA 86 12.326 6.468 -5.488 626 HA ALA 86 HA ALA 86 11.341 5.344 -7.999 627 HB1 ALA 86 HB1 ALA 86 9.094 6.004 -7.222 628 HB2 ALA 86 HB2 ALA 86 9.797 6.638 -5.733 629 HB3 ALA 86 HB3 ALA 86 9.866 4.909 -6.073 630 H28 SXA 87 H28A SXA 87 -10.872 9.542 -1.131 631 H28A SXA 87 H28B SXA 87 -10.787 11.153 -1.838 632 H30 SXA 87 H30A SXA 87 -10.488 9.925 -5.353 633 H30A SXA 87 H30B SXA 87 -9.114 10.171 -4.268 634 H30B SXA 87 H30C SXA 87 -10.433 11.344 -4.308 635 H31 SXA 87 H31A SXA 87 -9.498 7.935 -3.263 636 H31A SXA 87 H31B SXA 87 -10.895 7.659 -4.306 637 H31B SXA 87 H31C SXA 87 -11.064 7.538 -2.557 638 H32 SXA 87 H32A SXA 87 -13.002 9.282 -2.642 639 HO33 SXA 87 H33A SXA 87 -13.431 9.691 -5.113 640 HN36 SXA 87 H36A SXA 87 -12.150 11.742 -1.954 641 H37 SXA 87 H37A SXA 87 -12.141 14.099 -2.773 642 H37A SXA 87 H37B SXA 87 -13.473 13.621 -3.798 643 H38 SXA 87 H38A SXA 87 -14.428 14.867 -2.113 644 H38A SXA 87 H38B SXA 87 -14.857 13.184 -1.740 645 HN41 SXA 87 H41A SXA 87 -11.623 13.847 -0.981 646 H42 SXA 87 H42A SXA 87 -10.922 15.185 0.977 647 H42A SXA 87 H42B SXA 87 -12.274 14.425 1.818 648 H43 SXA 87 H43A SXA 87 -10.203 13.285 2.388 649 H43A SXA 87 H43B SXA 87 -9.883 12.996 0.671 650 H2 SXA 87 H2C SXA 87 -14.433 11.269 2.102 651 H2A SXA 87 H2A SXA 87 -14.397 11.487 3.856 652 H2B SXA 87 H2B SXA 87 -13.514 10.144 3.114 Start of MODEL 12 1 H1 MET 1 H1 MET 1 20.561 -5.897 2.093 2 H2 MET 1 H2 MET 1 18.901 -5.585 2.348 3 H3 MET 1 H3 MET 1 19.877 -4.427 1.627 4 HA MET 1 HA MET 1 20.181 -5.613 -0.307 5 HB2 MET 1 HB2 MET 1 19.119 -7.772 -0.721 6 HB3 MET 1 HB3 MET 1 20.159 -7.911 0.686 7 HG2 MET 1 HG2 MET 1 18.235 -7.814 2.153 8 HG3 MET 1 HG3 MET 1 17.168 -7.555 0.776 9 HE1 MET 1 HE1 MET 1 16.745 -9.820 3.012 10 HE2 MET 1 HE2 MET 1 16.263 -11.187 2.006 11 HE3 MET 1 HE3 MET 1 15.641 -9.571 1.659 12 H ALA 2 H ALA 2 18.401 -5.853 -1.973 13 HA ALA 2 HA ALA 2 16.468 -3.821 -1.492 14 HB1 ALA 2 HB1 ALA 2 17.461 -4.154 -3.717 15 HB2 ALA 2 HB2 ALA 2 15.705 -4.321 -3.774 16 HB3 ALA 2 HB3 ALA 2 16.730 -5.758 -3.801 17 H THR 3 H THR 3 15.025 -4.324 -0.017 18 HA THR 3 HA THR 3 13.872 -6.956 0.203 19 HB THR 3 HB THR 3 13.113 -4.360 1.578 20 HG1 THR 3 HG1 THR 3 15.418 -5.396 1.771 21 HG21 THR 3 HG21 THR 3 12.661 -7.255 2.353 22 HG22 THR 3 HG22 THR 3 11.425 -6.138 1.777 23 HG23 THR 3 HG23 THR 3 12.217 -5.854 3.328 24 H LEU 4 H LEU 4 12.493 -7.396 -1.499 25 HA LEU 4 HA LEU 4 10.698 -5.289 -2.366 26 HB2 LEU 4 HB2 LEU 4 11.005 -8.092 -3.445 27 HB3 LEU 4 HB3 LEU 4 10.057 -6.812 -4.157 28 HG LEU 4 HG LEU 4 13.066 -6.851 -3.929 29 HD11 LEU 4 HD11 LEU 4 11.240 -7.110 -6.297 30 HD12 LEU 4 HD12 LEU 4 12.220 -8.391 -5.586 31 HD13 LEU 4 HD13 LEU 4 12.999 -7.008 -6.367 32 HD21 LEU 4 HD21 LEU 4 12.205 -4.571 -3.733 33 HD22 LEU 4 HD22 LEU 4 11.242 -4.800 -5.195 34 HD23 LEU 4 HD23 LEU 4 13.000 -4.807 -5.290 35 H LEU 5 H LEU 5 8.723 -5.167 -1.702 36 HA LEU 5 HA LEU 5 7.784 -7.071 0.243 37 HB2 LEU 5 HB2 LEU 5 6.412 -4.640 -0.866 38 HB3 LEU 5 HB3 LEU 5 5.875 -5.581 0.509 39 HG LEU 5 HG LEU 5 8.295 -3.817 0.316 40 HD11 LEU 5 HD11 LEU 5 6.202 -2.690 0.711 41 HD12 LEU 5 HD12 LEU 5 7.208 -2.656 2.163 42 HD13 LEU 5 HD13 LEU 5 5.847 -3.771 2.058 43 HD21 LEU 5 HD21 LEU 5 8.798 -4.473 2.624 44 HD22 LEU 5 HD22 LEU 5 8.922 -5.848 1.526 45 HD23 LEU 5 HD23 LEU 5 7.507 -5.673 2.566 46 H THR 6 H THR 6 5.950 -8.294 0.098 47 HA THR 6 HA THR 6 5.261 -9.030 -2.646 48 HB THR 6 HB THR 6 4.510 -11.164 -1.606 49 HG1 THR 6 HG1 THR 6 5.568 -9.958 0.789 50 HG21 THR 6 HG21 THR 6 6.766 -12.027 -1.099 51 HG22 THR 6 HG22 THR 6 7.361 -10.371 -0.962 52 HG23 THR 6 HG23 THR 6 6.786 -10.976 -2.516 53 H THR 7 H THR 7 2.962 -10.335 -2.384 54 HA THR 7 HA THR 7 0.830 -8.602 -2.174 55 HB THR 7 HB THR 7 0.893 -11.582 -1.584 56 HG1 THR 7 HG1 THR 7 0.125 -10.989 -4.110 57 HG21 THR 7 HG21 THR 7 -1.437 -11.568 -2.437 58 HG22 THR 7 HG22 THR 7 -1.359 -9.815 -2.619 59 HG23 THR 7 HG23 THR 7 -1.271 -10.542 -1.018 60 H ASP 8 H ASP 8 2.071 -10.928 0.207 61 HA ASP 8 HA ASP 8 0.347 -10.470 2.317 62 HB2 ASP 8 HB2 ASP 8 1.866 -12.344 2.285 63 HB3 ASP 8 HB3 ASP 8 3.245 -11.256 2.423 64 H ASP 9 H ASP 9 3.403 -8.823 1.653 65 HA ASP 9 HA ASP 9 3.470 -7.329 4.074 66 HB2 ASP 9 HB2 ASP 9 4.676 -6.616 1.399 67 HB3 ASP 9 HB3 ASP 9 5.081 -5.834 2.914 68 H LEU 10 H LEU 10 2.283 -6.673 0.882 69 HA LEU 10 HA LEU 10 1.408 -4.041 1.380 70 HB2 LEU 10 HB2 LEU 10 1.888 -5.036 -0.843 71 HB3 LEU 10 HB3 LEU 10 0.462 -6.037 -0.673 72 HG LEU 10 HG LEU 10 -0.942 -4.017 -0.699 73 HD11 LEU 10 HD11 LEU 10 0.686 -2.438 0.234 74 HD12 LEU 10 HD12 LEU 10 0.050 -1.865 -1.305 75 HD13 LEU 10 HD13 LEU 10 1.663 -2.577 -1.228 76 HD21 LEU 10 HD21 LEU 10 -0.461 -5.229 -2.748 77 HD22 LEU 10 HD22 LEU 10 0.995 -4.262 -2.992 78 HD23 LEU 10 HD23 LEU 10 -0.593 -3.497 -3.056 79 H ARG 11 H ARG 11 -0.190 -7.202 1.387 80 HA ARG 11 HA ARG 11 -2.784 -6.489 2.034 81 HB2 ARG 11 HB2 ARG 11 -2.137 -8.797 1.490 82 HB3 ARG 11 HB3 ARG 11 -1.266 -8.918 3.012 83 HG2 ARG 11 HG2 ARG 11 -3.413 -8.522 4.206 84 HG3 ARG 11 HG3 ARG 11 -4.236 -8.596 2.649 85 HD2 ARG 11 HD2 ARG 11 -4.361 -10.730 3.810 86 HD3 ARG 11 HD3 ARG 11 -3.421 -10.874 2.327 87 HE ARG 11 HE ARG 11 -1.508 -11.156 3.534 88 HH11 ARG 11 HH11 ARG 11 -4.284 -10.691 5.718 89 HH12 ARG 11 HH12 ARG 11 -3.526 -11.263 7.105 90 HH21 ARG 11 HH21 ARG 11 -0.373 -11.897 5.478 91 HH22 ARG 11 HH22 ARG 11 -1.206 -11.998 6.972 92 H ARG 12 H ARG 12 -0.163 -7.338 4.289 93 HA ARG 12 HA ARG 12 -1.521 -6.892 6.689 94 HB2 ARG 12 HB2 ARG 12 1.407 -6.409 6.120 95 HB3 ARG 12 HB3 ARG 12 0.698 -6.483 7.724 96 HG2 ARG 12 HG2 ARG 12 0.055 -8.846 7.234 97 HG3 ARG 12 HG3 ARG 12 0.955 -8.715 5.721 98 HD2 ARG 12 HD2 ARG 12 2.945 -8.020 7.081 99 HD3 ARG 12 HD3 ARG 12 2.021 -8.437 8.521 100 HE ARG 12 HE ARG 12 2.460 -10.435 6.427 101 HH11 ARG 12 HH11 ARG 12 2.950 -9.424 9.816 102 HH12 ARG 12 HH12 ARG 12 3.779 -10.869 10.215 103 HH21 ARG 12 HH21 ARG 12 3.579 -12.362 7.063 104 HH22 ARG 12 HH22 ARG 12 4.136 -12.528 8.679 105 H ALA 13 H ALA 13 0.232 -4.670 4.633 106 HA ALA 13 HA ALA 13 0.007 -2.420 6.291 107 HB1 ALA 13 HB1 ALA 13 1.605 -2.533 4.430 108 HB2 ALA 13 HB2 ALA 13 0.569 -1.109 4.304 109 HB3 ALA 13 HB3 ALA 13 0.266 -2.517 3.285 110 H LEU 14 H LEU 14 -2.003 -3.495 3.530 111 HA LEU 14 HA LEU 14 -3.843 -1.380 3.849 112 HB2 LEU 14 HB2 LEU 14 -3.946 -3.927 2.296 113 HB3 LEU 14 HB3 LEU 14 -5.438 -3.053 2.559 114 HG LEU 14 HG LEU 14 -4.358 -1.056 1.474 115 HD11 LEU 14 HD11 LEU 14 -2.036 -1.642 1.755 116 HD12 LEU 14 HD12 LEU 14 -2.434 -1.393 0.056 117 HD13 LEU 14 HD13 LEU 14 -2.243 -3.031 0.688 118 HD21 LEU 14 HD21 LEU 14 -4.639 -1.896 -0.797 119 HD22 LEU 14 HD22 LEU 14 -5.915 -2.460 0.280 120 HD23 LEU 14 HD23 LEU 14 -4.607 -3.549 -0.187 121 H VAL 15 H VAL 15 -3.663 -4.480 5.377 122 HA VAL 15 HA VAL 15 -6.238 -4.464 6.549 123 HB VAL 15 HB VAL 15 -3.639 -5.639 7.642 124 HG11 VAL 15 HG11 VAL 15 -5.253 -5.267 9.451 125 HG12 VAL 15 HG12 VAL 15 -5.061 -6.993 9.130 126 HG13 VAL 15 HG13 VAL 15 -6.485 -6.138 8.539 127 HG21 VAL 15 HG21 VAL 15 -4.557 -7.784 6.871 128 HG22 VAL 15 HG22 VAL 15 -4.355 -6.647 5.536 129 HG23 VAL 15 HG23 VAL 15 -5.958 -6.940 6.209 130 H GLU 16 H GLU 16 -3.120 -3.555 8.028 131 HA GLU 16 HA GLU 16 -4.381 -2.369 10.257 132 HB2 GLU 16 HB2 GLU 16 -1.529 -2.202 9.343 133 HB3 GLU 16 HB3 GLU 16 -2.130 -1.605 10.885 134 HG2 GLU 16 HG2 GLU 16 -2.948 -3.937 11.327 135 HG3 GLU 16 HG3 GLU 16 -2.019 -4.433 9.915 136 H SER 17 H SER 17 -3.719 -1.106 7.188 137 HA SER 17 HA SER 17 -3.484 1.616 8.001 138 HB2 SER 17 HB2 SER 17 -2.672 0.561 5.825 139 HB3 SER 17 HB3 SER 17 -4.352 0.604 5.300 140 HG SER 17 HG SER 17 -4.218 2.687 5.033 141 H ALA 18 H ALA 18 -6.072 -0.484 6.817 142 HA ALA 18 HA ALA 18 -8.118 1.505 7.206 143 HB1 ALA 18 HB1 ALA 18 -8.319 -1.470 6.697 144 HB2 ALA 18 HB2 ALA 18 -8.355 -0.211 5.463 145 HB3 ALA 18 HB3 ALA 18 -9.660 -0.327 6.646 146 H GLY 19 H GLY 19 -6.235 0.072 9.299 147 HA2 GLY 19 HA2 GLY 19 -6.469 0.010 11.617 148 HA3 GLY 19 HA3 GLY 19 -8.224 -0.063 11.422 149 H GLU 20 H GLU 20 -9.192 -1.890 11.135 150 HA GLU 20 HA GLU 20 -8.219 -4.219 9.997 151 HB2 GLU 20 HB2 GLU 20 -8.176 -5.737 12.003 152 HB3 GLU 20 HB3 GLU 20 -6.845 -4.603 11.938 153 HG2 GLU 20 HG2 GLU 20 -8.086 -3.186 13.575 154 HG3 GLU 20 HG3 GLU 20 -9.262 -4.498 13.722 155 H THR 21 H THR 21 -10.420 -2.448 9.985 156 HA THR 21 HA THR 21 -12.597 -4.190 10.856 157 HB THR 21 HB THR 21 -13.050 -1.241 10.481 158 HG1 THR 21 HG1 THR 21 -11.672 -0.704 12.028 159 HG21 THR 21 HG21 THR 21 -14.497 -1.566 12.418 160 HG22 THR 21 HG22 THR 21 -13.851 -3.182 12.666 161 HG23 THR 21 HG23 THR 21 -14.846 -2.851 11.259 162 H ASP 22 H ASP 22 -14.542 -2.483 9.309 163 HA ASP 22 HA ASP 22 -15.566 -2.455 7.368 164 HB2 ASP 22 HB2 ASP 22 -12.779 -1.990 6.396 165 HB3 ASP 22 HB3 ASP 22 -14.033 -2.324 5.208 166 H GLY 23 H GLY 23 -12.828 -4.443 6.382 167 HA2 GLY 23 HA2 GLY 23 -12.920 -6.742 5.919 168 HA3 GLY 23 HA3 GLY 23 -14.672 -6.668 6.071 169 H THR 24 H THR 24 -12.431 -7.361 3.943 170 HA THR 24 HA THR 24 -14.202 -6.955 1.769 171 HB THR 24 HB THR 24 -13.027 -4.740 1.833 172 HG1 THR 24 HG1 THR 24 -13.523 -4.948 -0.136 173 HG21 THR 24 HG21 THR 24 -10.853 -5.439 2.723 174 HG22 THR 24 HG22 THR 24 -10.640 -4.593 1.190 175 HG23 THR 24 HG23 THR 24 -10.529 -6.352 1.249 176 H ASP 25 H ASP 25 -12.325 -7.534 -0.277 177 HA ASP 25 HA ASP 25 -11.393 -10.170 0.635 178 HB2 ASP 25 HB2 ASP 25 -13.068 -10.249 -1.221 179 HB3 ASP 25 HB3 ASP 25 -11.970 -9.294 -2.216 180 H LEU 26 H LEU 26 -9.426 -9.858 1.317 181 HA LEU 26 HA LEU 26 -7.595 -8.232 -0.343 182 HB2 LEU 26 HB2 LEU 26 -8.611 -7.048 1.606 183 HB3 LEU 26 HB3 LEU 26 -7.829 -8.206 2.655 184 HG LEU 26 HG LEU 26 -5.626 -7.378 1.736 185 HD11 LEU 26 HD11 LEU 26 -7.403 -5.219 0.621 186 HD12 LEU 26 HD12 LEU 26 -6.459 -6.386 -0.310 187 HD13 LEU 26 HD13 LEU 26 -5.642 -5.176 0.676 188 HD21 LEU 26 HD21 LEU 26 -7.398 -5.394 3.157 189 HD22 LEU 26 HD22 LEU 26 -5.633 -5.367 3.124 190 HD23 LEU 26 HD23 LEU 26 -6.482 -6.695 3.918 191 H SER 27 H SER 27 -8.092 -11.296 0.996 192 HA SER 27 HA SER 27 -5.303 -11.508 1.798 193 HB2 SER 27 HB2 SER 27 -7.532 -13.435 2.412 194 HB3 SER 27 HB3 SER 27 -5.872 -13.466 3.029 195 HG SER 27 HG SER 27 -7.973 -12.138 3.969 196 H GLY 28 H GLY 28 -7.156 -12.196 -0.741 197 HA2 GLY 28 HA2 GLY 28 -5.622 -14.584 -1.510 198 HA3 GLY 28 HA3 GLY 28 -7.037 -13.962 -2.359 199 H ASP 29 H ASP 29 -6.820 -11.920 -3.376 200 HA ASP 29 HA ASP 29 -4.234 -10.885 -3.935 201 HB2 ASP 29 HB2 ASP 29 -4.204 -12.558 -5.679 202 HB3 ASP 29 HB3 ASP 29 -5.859 -12.172 -6.147 203 H PHE 30 H PHE 30 -4.375 -8.885 -4.669 204 HA PHE 30 HA PHE 30 -6.975 -7.690 -5.144 205 HB2 PHE 30 HB2 PHE 30 -6.709 -6.059 -3.292 206 HB3 PHE 30 HB3 PHE 30 -6.914 -7.711 -2.722 207 HD1 PHE 30 HD2 PHE 30 -4.906 -8.964 -1.874 208 HD2 PHE 30 HD1 PHE 30 -4.784 -4.810 -2.760 209 HE1 PHE 30 HE2 PHE 30 -2.861 -8.745 -0.544 210 HE2 PHE 30 HE1 PHE 30 -2.736 -4.587 -1.429 211 HZ PHE 30 HZ PHE 30 -1.772 -6.554 -0.321 212 H LEU 31 H LEU 31 -3.755 -7.943 -5.803 213 HA LEU 31 HA LEU 31 -2.871 -5.354 -6.003 214 HB2 LEU 31 HB2 LEU 31 -2.058 -7.927 -7.222 215 HB3 LEU 31 HB3 LEU 31 -1.409 -6.449 -7.899 216 HG LEU 31 HG LEU 31 -0.543 -5.851 -5.659 217 HD11 LEU 31 HD11 LEU 31 -2.039 -7.089 -4.286 218 HD12 LEU 31 HD12 LEU 31 -0.357 -7.524 -3.948 219 HD13 LEU 31 HD13 LEU 31 -1.385 -8.614 -4.899 220 HD21 LEU 31 HD21 LEU 31 0.891 -6.884 -7.308 221 HD22 LEU 31 HD22 LEU 31 0.403 -8.485 -6.752 222 HD23 LEU 31 HD23 LEU 31 1.323 -7.424 -5.686 223 H ASP 32 H ASP 32 -4.875 -7.156 -8.221 224 HA ASP 32 HA ASP 32 -4.622 -5.036 -10.199 225 HB2 ASP 32 HB2 ASP 32 -5.985 -7.727 -10.305 226 HB3 ASP 32 HB3 ASP 32 -6.000 -6.565 -11.621 227 H LEU 33 H LEU 33 -6.362 -5.377 -7.522 228 HA LEU 33 HA LEU 33 -8.936 -4.610 -8.595 229 HB2 LEU 33 HB2 LEU 33 -7.996 -4.844 -5.735 230 HB3 LEU 33 HB3 LEU 33 -9.642 -4.516 -6.241 231 HG LEU 33 HG LEU 33 -8.097 -7.070 -6.672 232 HD11 LEU 33 HD11 LEU 33 -8.867 -6.770 -4.406 233 HD12 LEU 33 HD12 LEU 33 -9.798 -8.037 -5.214 234 HD13 LEU 33 HD13 LEU 33 -10.494 -6.427 -4.992 235 HD21 LEU 33 HD21 LEU 33 -9.547 -6.625 -8.593 236 HD22 LEU 33 HD22 LEU 33 -10.911 -6.368 -7.507 237 HD23 LEU 33 HD23 LEU 33 -10.176 -7.964 -7.630 238 H ARG 34 H ARG 34 -9.860 -2.593 -8.122 239 HA ARG 34 HA ARG 34 -7.941 -0.402 -8.107 240 HB2 ARG 34 HB2 ARG 34 -10.963 -0.329 -8.071 241 HB3 ARG 34 HB3 ARG 34 -9.893 1.016 -8.438 242 HG2 ARG 34 HG2 ARG 34 -9.172 -0.045 -10.470 243 HG3 ARG 34 HG3 ARG 34 -10.080 -1.503 -10.063 244 HD2 ARG 34 HD2 ARG 34 -11.244 1.227 -10.578 245 HD3 ARG 34 HD3 ARG 34 -11.267 -0.133 -11.698 246 HE ARG 34 HE ARG 34 -12.474 -1.202 -9.591 247 HH11 ARG 34 HH11 ARG 34 -13.000 1.916 -11.184 248 HH12 ARG 34 HH12 ARG 34 -14.647 2.023 -10.773 249 HH21 ARG 34 HH21 ARG 34 -14.752 -1.046 -8.943 250 HH22 ARG 34 HH22 ARG 34 -15.666 0.293 -9.462 251 H PHE 35 H PHE 35 -7.488 0.921 -6.333 252 HA PHE 35 HA PHE 35 -8.112 0.158 -3.734 253 HB2 PHE 35 HB2 PHE 35 -7.258 2.825 -4.822 254 HB3 PHE 35 HB3 PHE 35 -7.646 2.635 -3.120 255 HD1 PHE 35 HD2 PHE 35 -6.377 0.620 -1.946 256 HD2 PHE 35 HD1 PHE 35 -5.104 2.554 -5.511 257 HE1 PHE 35 HE2 PHE 35 -4.094 -0.201 -1.572 258 HE2 PHE 35 HE1 PHE 35 -2.817 1.728 -5.150 259 HZ PHE 35 HZ PHE 35 -2.288 0.492 -3.029 260 H GLU 36 H GLU 36 -9.775 2.596 -5.680 261 HA GLU 36 HA GLU 36 -11.694 3.387 -3.794 262 HB2 GLU 36 HB2 GLU 36 -12.998 4.223 -5.664 263 HB3 GLU 36 HB3 GLU 36 -11.295 4.544 -5.956 264 HG2 GLU 36 HG2 GLU 36 -11.213 2.571 -7.438 265 HG3 GLU 36 HG3 GLU 36 -12.942 2.345 -7.187 266 H ASP 37 H ASP 37 -11.448 0.531 -5.638 267 HA ASP 37 HA ASP 37 -14.246 -0.212 -5.522 268 HB2 ASP 37 HB2 ASP 37 -12.864 -0.635 -7.507 269 HB3 ASP 37 HB3 ASP 37 -11.815 -1.671 -6.557 270 H ILE 38 H ILE 38 -11.314 -0.820 -3.762 271 HA ILE 38 HA ILE 38 -12.641 -2.941 -2.258 272 HB ILE 38 HB ILE 38 -10.473 -3.269 -1.067 273 HG12 ILE 38 HG12 ILE 38 -9.407 -1.247 -3.064 274 HG13 ILE 38 HG13 ILE 38 -9.540 -1.021 -1.327 275 HG21 ILE 38 HG21 ILE 38 -10.334 -3.473 -4.063 276 HG22 ILE 38 HG22 ILE 38 -11.044 -4.651 -2.958 277 HG23 ILE 38 HG23 ILE 38 -9.304 -4.346 -2.924 278 HD11 ILE 38 HD11 ILE 38 -7.257 -1.492 -1.986 279 HD12 ILE 38 HD12 ILE 38 -7.764 -3.015 -2.714 280 HD13 ILE 38 HD13 ILE 38 -7.889 -2.785 -0.970 281 H GLY 39 H GLY 39 -13.229 -0.058 -2.213 282 HA2 GLY 39 HA2 GLY 39 -14.137 1.368 -0.671 283 HA3 GLY 39 HA3 GLY 39 -13.892 0.115 0.533 284 H TYR 40 H TYR 40 -11.225 1.402 -1.345 285 HA TYR 40 HA TYR 40 -10.153 2.336 1.165 286 HB2 TYR 40 HB2 TYR 40 -8.972 1.025 -1.061 287 HB3 TYR 40 HB3 TYR 40 -8.224 2.615 -0.900 288 HD1 TYR 40 HD1 TYR 40 -9.433 -0.033 1.422 289 HD2 TYR 40 HD2 TYR 40 -6.315 2.640 0.348 290 HE1 TYR 40 HE1 TYR 40 -8.142 -0.793 3.345 291 HE2 TYR 40 HE2 TYR 40 -4.998 1.886 2.276 292 HH TYR 40 HH TYR 40 -5.925 -0.822 4.180 293 H ASP 41 H ASP 41 -10.182 4.252 1.744 294 HA ASP 41 HA ASP 41 -10.899 6.458 0.003 295 HB2 ASP 41 HB2 ASP 41 -11.648 6.096 2.490 296 HB3 ASP 41 HB3 ASP 41 -9.936 6.514 2.753 297 H SER 42 H SER 42 -9.584 8.407 0.166 298 HA SER 42 HA SER 42 -6.983 8.026 -0.743 299 HB2 SER 42 HB2 SER 42 -6.783 10.504 -0.470 300 HB3 SER 42 HB3 SER 42 -8.150 9.956 -1.454 301 H LEU 43 H LEU 43 -8.110 9.165 2.442 302 HA LEU 43 HA LEU 43 -5.517 9.585 3.467 303 HB2 LEU 43 HB2 LEU 43 -8.067 8.996 4.984 304 HB3 LEU 43 HB3 LEU 43 -6.562 9.439 5.743 305 HG LEU 43 HG LEU 43 -6.751 11.592 4.325 306 HD11 LEU 43 HD11 LEU 43 -9.592 10.656 4.206 307 HD12 LEU 43 HD12 LEU 43 -8.523 11.096 2.858 308 HD13 LEU 43 HD13 LEU 43 -9.078 12.320 3.986 309 HD21 LEU 43 HD21 LEU 43 -8.578 11.086 6.667 310 HD22 LEU 43 HD22 LEU 43 -8.072 12.671 6.086 311 HD23 LEU 43 HD23 LEU 43 -6.880 11.551 6.743 312 H ALA 44 H ALA 44 -7.685 6.869 3.552 313 HA ALA 44 HA ALA 44 -6.126 5.209 5.215 314 HB1 ALA 44 HB1 ALA 44 -8.501 4.780 4.766 315 HB2 ALA 44 HB2 ALA 44 -7.508 3.372 4.396 316 HB3 ALA 44 HB3 ALA 44 -8.111 4.394 3.091 317 H LEU 45 H LEU 45 -6.202 5.707 1.744 318 HA LEU 45 HA LEU 45 -4.433 3.636 1.006 319 HB2 LEU 45 HB2 LEU 45 -6.082 5.083 -0.352 320 HB3 LEU 45 HB3 LEU 45 -4.810 6.261 -0.446 321 HG LEU 45 HG LEU 45 -4.894 3.485 -1.635 322 HD11 LEU 45 HD11 LEU 45 -4.781 6.199 -2.906 323 HD12 LEU 45 HD12 LEU 45 -6.161 5.096 -2.851 324 HD13 LEU 45 HD13 LEU 45 -4.717 4.658 -3.760 325 HD21 LEU 45 HD21 LEU 45 -2.709 3.928 -2.657 326 HD22 LEU 45 HD22 LEU 45 -2.603 3.886 -0.895 327 HD23 LEU 45 HD23 LEU 45 -2.587 5.434 -1.743 328 H MET 46 H MET 46 -3.947 7.106 1.649 329 HA MET 46 HA MET 46 -1.151 7.146 1.211 330 HB2 MET 46 HB2 MET 46 -2.818 8.955 2.969 331 HB3 MET 46 HB3 MET 46 -1.154 9.272 2.493 332 HG2 MET 46 HG2 MET 46 -1.814 9.359 0.175 333 HG3 MET 46 HG3 MET 46 -3.477 8.973 0.639 334 HE1 MET 46 HE1 MET 46 -4.437 11.030 -0.658 335 HE2 MET 46 HE2 MET 46 -2.811 11.426 -1.215 336 HE3 MET 46 HE3 MET 46 -3.826 12.675 -0.495 337 H GLU 47 H GLU 47 -3.083 6.547 4.038 338 HA GLU 47 HA GLU 47 -1.162 6.415 6.033 339 HB2 GLU 47 HB2 GLU 47 -3.614 6.384 6.279 340 HB3 GLU 47 HB3 GLU 47 -3.655 4.755 5.659 341 HG2 GLU 47 HG2 GLU 47 -3.878 4.662 8.038 342 HG3 GLU 47 HG3 GLU 47 -2.313 3.992 7.586 343 H THR 48 H THR 48 -2.092 4.031 3.595 344 HA THR 48 HA THR 48 -0.707 1.776 4.545 345 HB THR 48 HB THR 48 -1.374 2.648 1.726 346 HG1 THR 48 HG1 THR 48 -2.918 1.905 3.686 347 HG21 THR 48 HG21 THR 48 0.400 0.973 1.702 348 HG22 THR 48 HG22 THR 48 -1.109 0.269 1.112 349 HG23 THR 48 HG23 THR 48 -0.550 -0.080 2.749 350 H ALA 49 H ALA 49 0.169 4.204 2.130 351 HA ALA 49 HA ALA 49 2.768 3.369 1.595 352 HB1 ALA 49 HB1 ALA 49 3.107 5.624 0.717 353 HB2 ALA 49 HB2 ALA 49 1.637 6.163 1.518 354 HB3 ALA 49 HB3 ALA 49 1.545 4.979 0.214 355 H ALA 50 H ALA 50 1.550 5.783 3.872 356 HA ALA 50 HA ALA 50 3.922 6.660 4.988 357 HB1 ALA 50 HB1 ALA 50 1.248 6.391 6.336 358 HB2 ALA 50 HB2 ALA 50 1.750 7.728 5.300 359 HB3 ALA 50 HB3 ALA 50 2.569 7.446 6.836 360 H ARG 51 H ARG 51 2.005 3.862 5.850 361 HA ARG 51 HA ARG 51 3.343 3.109 8.226 362 HB2 ARG 51 HB2 ARG 51 1.194 2.124 7.446 363 HB3 ARG 51 HB3 ARG 51 2.058 1.322 6.149 364 HG2 ARG 51 HG2 ARG 51 3.383 0.107 7.909 365 HG3 ARG 51 HG3 ARG 51 2.273 0.785 9.105 366 HD2 ARG 51 HD2 ARG 51 0.385 -0.234 7.880 367 HD3 ARG 51 HD3 ARG 51 1.530 -0.945 6.752 368 HE ARG 51 HE ARG 51 1.082 -1.683 9.533 369 HH11 ARG 51 HH11 ARG 51 2.934 -2.314 6.562 370 HH12 ARG 51 HH12 ARG 51 3.277 -3.951 6.943 371 HH21 ARG 51 HH21 ARG 51 1.476 -3.966 9.987 372 HH22 ARG 51 HH22 ARG 51 2.452 -4.889 8.937 373 H LEU 52 H LEU 52 3.733 2.098 4.881 374 HA LEU 52 HA LEU 52 5.961 0.437 5.397 375 HB2 LEU 52 HB2 LEU 52 5.098 1.595 2.737 376 HB3 LEU 52 HB3 LEU 52 6.159 0.216 2.993 377 HG LEU 52 HG LEU 52 3.235 0.304 3.705 378 HD11 LEU 52 HD11 LEU 52 3.603 0.225 1.310 379 HD12 LEU 52 HD12 LEU 52 2.976 -1.316 1.905 380 HD13 LEU 52 HD13 LEU 52 4.689 -1.150 1.513 381 HD21 LEU 52 HD21 LEU 52 4.505 -1.110 5.241 382 HD22 LEU 52 HD22 LEU 52 5.234 -1.956 3.878 383 HD23 LEU 52 HD23 LEU 52 3.500 -2.087 4.171 384 H GLU 53 H GLU 53 5.617 3.824 4.629 385 HA GLU 53 HA GLU 53 8.244 4.471 3.959 386 HB2 GLU 53 HB2 GLU 53 6.275 6.048 5.569 387 HB3 GLU 53 HB3 GLU 53 7.796 6.706 5.005 388 HG2 GLU 53 HG2 GLU 53 6.977 6.278 2.672 389 HG3 GLU 53 HG3 GLU 53 5.411 5.866 3.380 390 H SER 54 H SER 54 6.745 4.725 7.162 391 HA SER 54 HA SER 54 9.128 5.227 8.540 392 HB2 SER 54 HB2 SER 54 6.583 4.013 9.613 393 HB3 SER 54 HB3 SER 54 7.800 4.916 10.522 394 HG SER 54 HG SER 54 7.179 6.566 8.649 395 H ARG 55 H ARG 55 7.405 2.226 7.872 396 HA ARG 55 HA ARG 55 9.025 0.593 9.486 397 HB2 ARG 55 HB2 ARG 55 6.848 -0.180 9.017 398 HB3 ARG 55 HB3 ARG 55 7.076 -0.018 7.290 399 HG2 ARG 55 HG2 ARG 55 7.011 -2.352 8.075 400 HG3 ARG 55 HG3 ARG 55 8.490 -1.939 7.223 401 HD2 ARG 55 HD2 ARG 55 8.993 -3.323 9.131 402 HD3 ARG 55 HD3 ARG 55 9.644 -1.709 9.376 403 HE ARG 55 HE ARG 55 7.440 -1.442 10.731 404 HH11 ARG 55 HH11 ARG 55 9.408 -4.343 10.505 405 HH12 ARG 55 HH12 ARG 55 9.191 -4.848 12.116 406 HH21 ARG 55 HH21 ARG 55 7.106 -2.098 12.994 407 HH22 ARG 55 HH22 ARG 55 7.849 -3.539 13.546 408 H TYR 56 H TYR 56 9.237 1.217 5.950 409 HA TYR 56 HA TYR 56 11.623 -0.456 6.057 410 HB2 TYR 56 HB2 TYR 56 9.889 0.211 3.686 411 HB3 TYR 56 HB3 TYR 56 11.392 -0.714 3.609 412 HD1 TYR 56 HD2 TYR 56 11.541 -2.820 5.128 413 HD2 TYR 56 HD1 TYR 56 7.899 -0.875 4.114 414 HE1 TYR 56 HE2 TYR 56 10.299 -4.878 5.641 415 HE2 TYR 56 HE1 TYR 56 6.652 -2.920 4.622 416 HH TYR 56 HH TYR 56 7.881 -5.473 6.329 417 H GLY 57 H GLY 57 10.891 2.788 5.912 418 HA2 GLY 57 HA2 GLY 57 12.495 4.478 5.967 419 HA3 GLY 57 HA3 GLY 57 13.679 3.346 5.331 420 H VAL 58 H VAL 58 10.520 4.302 4.089 421 HA VAL 58 HA VAL 58 11.897 5.250 1.688 422 HB VAL 58 HB VAL 58 10.073 4.580 0.249 423 HG11 VAL 58 HG11 VAL 58 10.795 2.351 2.086 424 HG12 VAL 58 HG12 VAL 58 11.725 2.894 0.681 425 HG13 VAL 58 HG13 VAL 58 10.125 2.157 0.467 426 HG21 VAL 58 HG21 VAL 58 8.184 4.949 1.748 427 HG22 VAL 58 HG22 VAL 58 8.654 3.546 2.704 428 HG23 VAL 58 HG23 VAL 58 8.116 3.338 1.036 429 H SER 59 H SER 59 10.274 6.699 0.349 430 HA SER 59 HA SER 59 8.806 8.448 2.160 431 HB2 SER 59 HB2 SER 59 11.080 9.397 1.828 432 HB3 SER 59 HB3 SER 59 10.838 9.354 0.086 433 HG SER 59 HG SER 59 10.259 11.276 1.738 434 H ILE 60 H ILE 60 6.810 8.478 1.389 435 HA ILE 60 HA ILE 60 6.420 8.381 -1.536 436 HB ILE 60 HB ILE 60 4.518 7.217 0.535 437 HG12 ILE 60 HG12 ILE 60 6.536 5.798 0.320 438 HG13 ILE 60 HG13 ILE 60 5.107 4.994 -0.314 439 HG21 ILE 60 HG21 ILE 60 4.416 7.145 -2.480 440 HG22 ILE 60 HG22 ILE 60 3.356 8.067 -1.413 441 HG23 ILE 60 HG23 ILE 60 3.302 6.303 -1.400 442 HD11 ILE 60 HD11 ILE 60 7.061 4.606 -1.721 443 HD12 ILE 60 HD12 ILE 60 7.264 6.345 -1.944 444 HD13 ILE 60 HD13 ILE 60 5.842 5.533 -2.598 445 HA PRO 61 HA PRO 61 4.616 12.376 -0.403 446 HB2 PRO 61 HB2 PRO 61 4.338 12.496 -3.358 447 HB3 PRO 61 HB3 PRO 61 5.101 13.648 -2.255 448 HG2 PRO 61 HG2 PRO 61 6.587 12.119 -3.835 449 HG3 PRO 61 HG3 PRO 61 7.084 12.440 -2.161 450 HD2 PRO 61 HD2 PRO 61 5.749 10.009 -3.299 451 HD3 PRO 61 HD3 PRO 61 7.118 10.111 -2.169 452 H ASP 62 H ASP 62 2.519 13.081 -0.303 453 HA ASP 62 HA ASP 62 0.439 11.234 -0.477 454 HB2 ASP 62 HB2 ASP 62 -1.089 13.056 0.106 455 HB3 ASP 62 HB3 ASP 62 0.359 13.100 1.096 456 H ASP 63 H ASP 63 1.517 13.528 -2.878 457 HA ASP 63 HA ASP 63 -0.826 13.438 -4.522 458 HB2 ASP 63 HB2 ASP 63 0.844 15.232 -4.756 459 HB3 ASP 63 HB3 ASP 63 2.062 14.061 -5.237 460 H VAL 64 H VAL 64 2.009 11.547 -4.195 461 HA VAL 64 HA VAL 64 1.663 9.872 -6.544 462 HB VAL 64 HB VAL 64 3.316 9.477 -4.039 463 HG11 VAL 64 HG11 VAL 64 3.548 8.200 -6.771 464 HG12 VAL 64 HG12 VAL 64 2.999 7.409 -5.292 465 HG13 VAL 64 HG13 VAL 64 4.667 7.960 -5.428 466 HG21 VAL 64 HG21 VAL 64 4.108 10.699 -6.683 467 HG22 VAL 64 HG22 VAL 64 5.204 10.342 -5.352 468 HG23 VAL 64 HG23 VAL 64 3.932 11.547 -5.148 469 H ALA 65 H ALA 65 1.368 9.377 -3.073 470 HA ALA 65 HA ALA 65 0.219 6.840 -3.160 471 HB1 ALA 65 HB1 ALA 65 1.140 7.850 -1.126 472 HB2 ALA 65 HB2 ALA 65 -0.502 7.251 -0.871 473 HB3 ALA 65 HB3 ALA 65 -0.216 8.978 -1.079 474 H GLY 66 H GLY 66 -1.292 9.993 -3.558 475 HA2 GLY 66 HA2 GLY 66 -3.938 8.838 -3.387 476 HA3 GLY 66 HA3 GLY 66 -3.541 10.529 -3.632 477 H ARG 67 H ARG 67 -1.666 9.002 -5.821 478 HA ARG 67 HA ARG 67 -3.714 9.424 -7.886 479 HB2 ARG 67 HB2 ARG 67 -1.596 10.745 -8.023 480 HB3 ARG 67 HB3 ARG 67 -0.727 9.233 -8.271 481 HG2 ARG 67 HG2 ARG 67 -2.158 8.827 -10.261 482 HG3 ARG 67 HG3 ARG 67 -2.813 10.447 -10.043 483 HD2 ARG 67 HD2 ARG 67 -0.580 11.384 -10.329 484 HD3 ARG 67 HD3 ARG 67 0.079 9.758 -10.537 485 HE ARG 67 HE ARG 67 -1.857 11.041 -12.314 486 HH11 ARG 67 HH11 ARG 67 0.978 8.971 -11.847 487 HH12 ARG 67 HH12 ARG 67 0.989 8.399 -13.459 488 HH21 ARG 67 HH21 ARG 67 -1.790 10.223 -14.565 489 HH22 ARG 67 HH22 ARG 67 -0.542 9.143 -15.008 490 H VAL 68 H VAL 68 -2.035 6.948 -6.343 491 HA VAL 68 HA VAL 68 -1.764 5.263 -8.623 492 HB VAL 68 HB VAL 68 -1.158 3.453 -6.870 493 HG11 VAL 68 HG11 VAL 68 0.445 6.012 -7.061 494 HG12 VAL 68 HG12 VAL 68 0.477 4.684 -8.223 495 HG13 VAL 68 HG13 VAL 68 1.068 4.434 -6.578 496 HG21 VAL 68 HG21 VAL 68 -0.498 4.304 -4.693 497 HG22 VAL 68 HG22 VAL 68 -2.224 4.626 -4.946 498 HG23 VAL 68 HG23 VAL 68 -1.025 5.916 -5.158 499 H ASP 69 H ASP 69 -2.848 3.652 -9.291 500 HA ASP 69 HA ASP 69 -5.709 3.724 -8.733 501 HB2 ASP 69 HB2 ASP 69 -4.196 2.114 -10.797 502 HB3 ASP 69 HB3 ASP 69 -5.935 2.328 -10.729 503 H THR 70 H THR 70 -3.430 1.032 -9.253 504 HA THR 70 HA THR 70 -5.155 -0.634 -7.599 505 HB THR 70 HB THR 70 -3.911 -2.507 -8.728 506 HG1 THR 70 HG1 THR 70 -3.067 -0.883 -10.808 507 HG21 THR 70 HG21 THR 70 -5.336 -0.577 -10.577 508 HG22 THR 70 HG22 THR 70 -6.116 -1.790 -9.559 509 HG23 THR 70 HG23 THR 70 -5.077 -2.293 -10.892 510 HA PRO 71 HA PRO 71 -2.016 -1.113 -4.442 511 HB2 PRO 71 HB2 PRO 71 -2.460 -4.052 -4.835 512 HB3 PRO 71 HB3 PRO 71 -2.421 -3.104 -3.346 513 HG2 PRO 71 HG2 PRO 71 -4.737 -3.838 -4.307 514 HG3 PRO 71 HG3 PRO 71 -4.519 -2.180 -3.702 515 HD2 PRO 71 HD2 PRO 71 -4.562 -3.179 -6.522 516 HD3 PRO 71 HD3 PRO 71 -5.322 -1.728 -5.834 517 H ARG 72 H ARG 72 -1.826 -3.036 -7.416 518 HA ARG 72 HA ARG 72 0.830 -3.868 -7.360 519 HB2 ARG 72 HB2 ARG 72 -0.826 -2.908 -9.698 520 HB3 ARG 72 HB3 ARG 72 0.832 -3.498 -9.857 521 HG2 ARG 72 HG2 ARG 72 0.209 -5.650 -9.098 522 HG3 ARG 72 HG3 ARG 72 -1.411 -5.087 -8.690 523 HD2 ARG 72 HD2 ARG 72 -1.440 -6.335 -10.764 524 HD3 ARG 72 HD3 ARG 72 -1.854 -4.651 -11.047 525 HE ARG 72 HE ARG 72 0.885 -4.943 -11.468 526 HH11 ARG 72 HH11 ARG 72 -2.144 -6.218 -12.901 527 HH12 ARG 72 HH12 ARG 72 -1.546 -6.238 -14.486 528 HH21 ARG 72 HH21 ARG 72 1.707 -5.023 -13.734 529 HH22 ARG 72 HH22 ARG 72 0.656 -5.529 -14.968 530 H GLU 73 H GLU 73 -0.496 -0.755 -8.317 531 HA GLU 73 HA GLU 73 1.859 0.530 -9.139 532 HB2 GLU 73 HB2 GLU 73 -0.658 1.672 -7.928 533 HB3 GLU 73 HB3 GLU 73 0.557 2.587 -8.798 534 HG2 GLU 73 HG2 GLU 73 -1.012 0.333 -10.007 535 HG3 GLU 73 HG3 GLU 73 -1.507 2.023 -10.077 536 H LEU 74 H LEU 74 0.172 0.423 -6.048 537 HA LEU 74 HA LEU 74 1.871 2.275 -4.709 538 HB2 LEU 74 HB2 LEU 74 -0.509 1.670 -4.103 539 HB3 LEU 74 HB3 LEU 74 0.084 0.149 -3.482 540 HG LEU 74 HG LEU 74 -0.478 1.792 -1.722 541 HD11 LEU 74 HD11 LEU 74 1.524 1.632 -0.358 542 HD12 LEU 74 HD12 LEU 74 2.449 1.125 -1.776 543 HD13 LEU 74 HD13 LEU 74 1.142 0.109 -1.161 544 HD21 LEU 74 HD21 LEU 74 0.945 3.752 -1.350 545 HD22 LEU 74 HD22 LEU 74 0.064 3.839 -2.873 546 HD23 LEU 74 HD23 LEU 74 1.779 3.422 -2.869 547 H LEU 75 H LEU 75 1.677 -1.268 -4.738 548 HA LEU 75 HA LEU 75 3.818 -1.831 -3.041 549 HB2 LEU 75 HB2 LEU 75 2.134 -3.467 -3.897 550 HB3 LEU 75 HB3 LEU 75 2.927 -3.406 -5.459 551 HG LEU 75 HG LEU 75 4.986 -4.304 -4.402 552 HD11 LEU 75 HD11 LEU 75 3.208 -4.607 -1.988 553 HD12 LEU 75 HD12 LEU 75 4.596 -3.528 -2.139 554 HD13 LEU 75 HD13 LEU 75 4.830 -5.276 -2.165 555 HD21 LEU 75 HD21 LEU 75 3.412 -5.795 -5.529 556 HD22 LEU 75 HD22 LEU 75 2.500 -5.978 -4.031 557 HD23 LEU 75 HD23 LEU 75 4.150 -6.591 -4.141 558 H ASP 76 H ASP 76 3.660 -1.202 -6.492 559 HA ASP 76 HA ASP 76 6.295 -1.779 -7.225 560 HB2 ASP 76 HB2 ASP 76 4.449 -1.462 -8.825 561 HB3 ASP 76 HB3 ASP 76 4.421 0.256 -8.444 562 H LEU 77 H LEU 77 4.808 1.185 -6.077 563 HA LEU 77 HA LEU 77 6.976 2.948 -6.389 564 HB2 LEU 77 HB2 LEU 77 4.938 2.921 -4.165 565 HB3 LEU 77 HB3 LEU 77 5.939 4.282 -4.624 566 HG LEU 77 HG LEU 77 3.791 3.053 -6.339 567 HD11 LEU 77 HD11 LEU 77 3.806 5.574 -4.699 568 HD12 LEU 77 HD12 LEU 77 2.874 4.116 -4.367 569 HD13 LEU 77 HD13 LEU 77 2.530 5.075 -5.806 570 HD21 LEU 77 HD21 LEU 77 5.572 4.106 -7.644 571 HD22 LEU 77 HD22 LEU 77 5.414 5.577 -6.683 572 HD23 LEU 77 HD23 LEU 77 4.083 5.053 -7.720 573 H ILE 78 H ILE 78 5.958 0.976 -3.668 574 HA ILE 78 HA ILE 78 8.048 1.654 -1.910 575 HB ILE 78 HB ILE 78 6.468 -0.941 -1.964 576 HG12 ILE 78 HG12 ILE 78 4.957 1.003 -1.924 577 HG13 ILE 78 HG13 ILE 78 4.921 0.134 -0.395 578 HG21 ILE 78 HG21 ILE 78 6.960 -1.012 0.437 579 HG22 ILE 78 HG22 ILE 78 7.916 0.460 0.283 580 HG23 ILE 78 HG23 ILE 78 8.440 -1.018 -0.528 581 HD11 ILE 78 HD11 ILE 78 6.397 2.704 -0.939 582 HD12 ILE 78 HD12 ILE 78 6.371 1.840 0.598 583 HD13 ILE 78 HD13 ILE 78 4.886 2.537 -0.046 584 H ASN 79 H ASN 79 7.621 -1.114 -4.115 585 HA ASN 79 HA ASN 79 10.065 -2.398 -3.526 586 HB2 ASN 79 HB2 ASN 79 8.313 -2.522 -5.982 587 HB3 ASN 79 HB3 ASN 79 9.842 -3.374 -5.912 588 HD21 ASN 79 HD21 ASN 79 7.698 -3.055 -3.137 589 HD22 ASN 79 HD22 ASN 79 7.214 -4.727 -3.127 590 H GLY 80 H GLY 80 9.280 -0.010 -6.015 591 HA2 GLY 80 HA2 GLY 80 11.797 0.076 -7.258 592 HA3 GLY 80 HA3 GLY 80 10.608 1.370 -7.267 593 H ALA 81 H ALA 81 10.551 1.808 -4.466 594 HA ALA 81 HA ALA 81 12.818 3.491 -4.153 595 HB1 ALA 81 HB1 ALA 81 11.877 3.998 -1.954 596 HB2 ALA 81 HB2 ALA 81 10.744 2.657 -2.118 597 HB3 ALA 81 HB3 ALA 81 10.629 4.044 -3.196 598 H LEU 82 H LEU 82 11.764 0.491 -2.580 599 HA LEU 82 HA LEU 82 13.997 0.246 -0.875 600 HB2 LEU 82 HB2 LEU 82 11.999 -1.787 -1.809 601 HB3 LEU 82 HB3 LEU 82 13.235 -2.132 -0.615 602 HG LEU 82 HG LEU 82 11.084 -0.040 -0.296 603 HD11 LEU 82 HD11 LEU 82 11.372 -2.750 1.005 604 HD12 LEU 82 HD12 LEU 82 10.230 -2.360 -0.265 605 HD13 LEU 82 HD13 LEU 82 10.095 -1.567 1.311 606 HD21 LEU 82 HD21 LEU 82 11.884 0.072 2.003 607 HD22 LEU 82 HD22 LEU 82 13.163 0.491 0.866 608 HD23 LEU 82 HD23 LEU 82 13.153 -1.096 1.633 609 H ALA 83 H ALA 83 13.570 -0.638 -4.181 610 HA ALA 83 HA ALA 83 15.675 -2.473 -4.439 611 HB1 ALA 83 HB1 ALA 83 15.659 -1.882 -6.813 612 HB2 ALA 83 HB2 ALA 83 14.685 -0.456 -6.456 613 HB3 ALA 83 HB3 ALA 83 14.013 -2.066 -6.201 614 H GLU 84 H GLU 84 15.621 0.962 -4.059 615 HA GLU 84 HA GLU 84 18.494 1.138 -4.582 616 HB2 GLU 84 HB2 GLU 84 16.344 3.244 -4.478 617 HB3 GLU 84 HB3 GLU 84 18.059 3.618 -4.542 618 HG2 GLU 84 HG2 GLU 84 16.515 2.077 -6.608 619 HG3 GLU 84 HG3 GLU 84 17.027 3.762 -6.737 620 H ALA 85 H ALA 85 16.774 0.303 -2.091 621 HA ALA 85 HA ALA 85 17.704 2.262 -0.190 622 HB1 ALA 85 HB1 ALA 85 15.463 1.282 0.112 623 HB2 ALA 85 HB2 ALA 85 16.510 0.989 1.500 624 HB3 ALA 85 HB3 ALA 85 16.201 -0.304 0.344 625 H ALA 86 H ALA 86 19.849 2.023 -0.554 626 HA ALA 86 HA ALA 86 21.125 -0.387 0.467 627 HB1 ALA 86 HB1 ALA 86 22.283 2.048 -0.916 628 HB2 ALA 86 HB2 ALA 86 21.981 0.477 -1.663 629 HB3 ALA 86 HB3 ALA 86 23.200 0.633 -0.399 630 H28 SXA 87 H28A SXA 87 -7.317 14.600 0.223 631 H28A SXA 87 H28B SXA 87 -8.571 14.742 1.458 632 H30 SXA 87 H30A SXA 87 -8.030 14.991 3.769 633 H30A SXA 87 H30B SXA 87 -6.391 14.719 4.369 634 H30B SXA 87 H30C SXA 87 -7.314 13.384 3.686 635 H31 SXA 87 H31A SXA 87 -4.878 14.192 1.016 636 H31A SXA 87 H31B SXA 87 -5.415 12.932 2.127 637 H31B SXA 87 H31C SXA 87 -4.512 14.318 2.738 638 H32 SXA 87 H32A SXA 87 -7.198 16.864 2.352 639 HO33 SXA 87 H33A SXA 87 -5.032 16.717 0.742 640 HN36 SXA 87 H36A SXA 87 -5.970 16.295 4.597 641 H37 SXA 87 H37A SXA 87 -3.236 17.367 4.529 642 H37A SXA 87 H37B SXA 87 -4.435 17.981 5.675 643 H38 SXA 87 H38A SXA 87 -3.446 15.115 5.527 644 H38A SXA 87 H38B SXA 87 -2.798 16.329 6.594 645 HN41 SXA 87 H41A SXA 87 -3.633 14.117 7.704 646 H42 SXA 87 H42A SXA 87 -5.399 14.851 9.725 647 H42A SXA 87 H42B SXA 87 -6.311 13.935 8.531 648 H43 SXA 87 H43A SXA 87 -4.693 12.087 8.724 649 H43A SXA 87 H43B SXA 87 -5.542 12.454 10.232 650 H2 SXA 87 H2C SXA 87 -2.223 10.768 12.614 651 H2A SXA 87 H2A SXA 87 -1.432 12.199 11.943 652 H2B SXA 87 H2B SXA 87 -1.116 10.607 11.242 Start of MODEL 13 1 H1 MET 1 H1 MET 1 16.058 -11.203 1.397 2 H2 MET 1 H2 MET 1 16.112 -10.430 2.854 3 H3 MET 1 H3 MET 1 16.907 -11.916 2.705 4 HA MET 1 HA MET 1 18.455 -10.144 2.782 5 HB2 MET 1 HB2 MET 1 18.175 -11.108 -0.086 6 HB3 MET 1 HB3 MET 1 19.615 -10.374 0.600 7 HG2 MET 1 HG2 MET 1 19.999 -12.696 0.510 8 HG3 MET 1 HG3 MET 1 19.715 -12.297 2.198 9 HE1 MET 1 HE1 MET 1 19.316 -14.827 2.819 10 HE2 MET 1 HE2 MET 1 19.662 -15.265 1.146 11 HE3 MET 1 HE3 MET 1 18.218 -15.894 1.941 12 H ALA 2 H ALA 2 17.214 -9.573 -0.485 13 HA ALA 2 HA ALA 2 17.139 -6.744 0.111 14 HB1 ALA 2 HB1 ALA 2 16.586 -8.279 -2.447 15 HB2 ALA 2 HB2 ALA 2 18.097 -7.466 -2.033 16 HB3 ALA 2 HB3 ALA 2 16.634 -6.520 -2.302 17 H THR 3 H THR 3 15.393 -6.327 1.341 18 HA THR 3 HA THR 3 13.035 -7.894 1.263 19 HB THR 3 HB THR 3 13.426 -5.168 2.506 20 HG1 THR 3 HG1 THR 3 15.021 -6.256 3.381 21 HG21 THR 3 HG21 THR 3 11.788 -6.010 4.146 22 HG22 THR 3 HG22 THR 3 11.685 -7.532 3.262 23 HG23 THR 3 HG23 THR 3 11.115 -6.039 2.517 24 H LEU 4 H LEU 4 11.875 -7.802 -0.501 25 HA LEU 4 HA LEU 4 10.978 -5.192 -1.499 26 HB2 LEU 4 HB2 LEU 4 11.160 -7.853 -2.929 27 HB3 LEU 4 HB3 LEU 4 10.450 -6.401 -3.603 28 HG LEU 4 HG LEU 4 13.351 -6.717 -2.842 29 HD11 LEU 4 HD11 LEU 4 12.751 -8.089 -4.757 30 HD12 LEU 4 HD12 LEU 4 13.749 -6.719 -5.249 31 HD13 LEU 4 HD13 LEU 4 12.009 -6.694 -5.538 32 HD21 LEU 4 HD21 LEU 4 11.896 -4.488 -4.268 33 HD22 LEU 4 HD22 LEU 4 13.637 -4.585 -4.013 34 HD23 LEU 4 HD23 LEU 4 12.551 -4.420 -2.633 35 H LEU 5 H LEU 5 8.972 -4.821 -0.928 36 HA LEU 5 HA LEU 5 7.525 -6.758 0.505 37 HB2 LEU 5 HB2 LEU 5 6.509 -4.159 -0.618 38 HB3 LEU 5 HB3 LEU 5 5.664 -5.166 0.534 39 HG LEU 5 HG LEU 5 8.128 -3.514 0.958 40 HD11 LEU 5 HD11 LEU 5 6.795 -2.544 2.741 41 HD12 LEU 5 HD12 LEU 5 5.471 -3.639 2.348 42 HD13 LEU 5 HD13 LEU 5 5.974 -2.418 1.184 43 HD21 LEU 5 HD21 LEU 5 7.013 -5.621 2.814 44 HD22 LEU 5 HD22 LEU 5 8.282 -4.463 3.218 45 HD23 LEU 5 HD23 LEU 5 8.568 -5.687 1.982 46 H THR 6 H THR 6 6.052 -8.100 0.001 47 HA THR 6 HA THR 6 5.531 -8.517 -2.824 48 HB THR 6 HB THR 6 4.870 -10.786 -2.084 49 HG1 THR 6 HG1 THR 6 5.723 -9.884 0.512 50 HG21 THR 6 HG21 THR 6 7.118 -11.557 -1.420 51 HG22 THR 6 HG22 THR 6 7.576 -9.900 -1.044 52 HG23 THR 6 HG23 THR 6 7.211 -10.359 -2.710 53 H THR 7 H THR 7 3.327 -9.922 -2.830 54 HA THR 7 HA THR 7 1.117 -8.278 -2.654 55 HB THR 7 HB THR 7 1.286 -11.298 -2.405 56 HG1 THR 7 HG1 THR 7 2.314 -10.554 -4.274 57 HG21 THR 7 HG21 THR 7 -1.001 -9.541 -3.337 58 HG22 THR 7 HG22 THR 7 -0.953 -10.461 -1.831 59 HG23 THR 7 HG23 THR 7 -0.984 -11.303 -3.377 60 H ASP 8 H ASP 8 2.159 -10.836 -0.412 61 HA ASP 8 HA ASP 8 0.153 -10.404 1.499 62 HB2 ASP 8 HB2 ASP 8 1.343 -12.501 1.353 63 HB3 ASP 8 HB3 ASP 8 2.839 -11.708 1.837 64 H ASP 9 H ASP 9 3.353 -8.955 1.212 65 HA ASP 9 HA ASP 9 3.416 -7.830 3.841 66 HB2 ASP 9 HB2 ASP 9 4.742 -6.823 1.326 67 HB3 ASP 9 HB3 ASP 9 5.079 -6.138 2.899 68 H LEU 10 H LEU 10 2.270 -6.659 0.762 69 HA LEU 10 HA LEU 10 1.445 -4.105 1.689 70 HB2 LEU 10 HB2 LEU 10 1.881 -4.773 -0.692 71 HB3 LEU 10 HB3 LEU 10 0.396 -5.693 -0.655 72 HG LEU 10 HG LEU 10 -0.864 -3.597 -0.262 73 HD11 LEU 10 HD11 LEU 10 1.814 -2.285 -0.714 74 HD12 LEU 10 HD12 LEU 10 0.909 -2.300 0.797 75 HD13 LEU 10 HD13 LEU 10 0.261 -1.454 -0.611 76 HD21 LEU 10 HD21 LEU 10 -0.602 -4.492 -2.510 77 HD22 LEU 10 HD22 LEU 10 0.917 -3.614 -2.690 78 HD23 LEU 10 HD23 LEU 10 -0.601 -2.730 -2.535 79 H ARG 11 H ARG 11 -0.160 -7.182 1.142 80 HA ARG 11 HA ARG 11 -2.781 -6.756 1.830 81 HB2 ARG 11 HB2 ARG 11 -1.976 -8.872 1.030 82 HB3 ARG 11 HB3 ARG 11 -0.947 -9.069 2.432 83 HG2 ARG 11 HG2 ARG 11 -3.029 -9.217 3.815 84 HG3 ARG 11 HG3 ARG 11 -3.939 -9.265 2.298 85 HD2 ARG 11 HD2 ARG 11 -2.724 -11.232 1.590 86 HD3 ARG 11 HD3 ARG 11 -1.711 -11.164 3.027 87 HE ARG 11 HE ARG 11 -4.611 -11.699 3.084 88 HH11 ARG 11 HH11 ARG 11 -1.308 -12.373 4.309 89 HH12 ARG 11 HH12 ARG 11 -1.830 -13.546 5.396 90 HH21 ARG 11 HH21 ARG 11 -5.280 -13.327 4.538 91 HH22 ARG 11 HH22 ARG 11 -4.138 -14.150 5.514 92 H ARG 12 H ARG 12 -0.137 -7.620 4.047 93 HA ARG 12 HA ARG 12 -1.537 -7.584 6.450 94 HB2 ARG 12 HB2 ARG 12 1.379 -6.952 5.931 95 HB3 ARG 12 HB3 ARG 12 0.702 -7.191 7.535 96 HG2 ARG 12 HG2 ARG 12 0.100 -9.497 6.920 97 HG3 ARG 12 HG3 ARG 12 0.793 -9.241 5.320 98 HD2 ARG 12 HD2 ARG 12 2.379 -10.426 6.730 99 HD3 ARG 12 HD3 ARG 12 2.991 -8.816 6.361 100 HE ARG 12 HE ARG 12 1.521 -8.968 8.814 101 HH11 ARG 12 HH11 ARG 12 4.784 -9.430 7.425 102 HH12 ARG 12 HH12 ARG 12 5.604 -9.143 8.878 103 HH21 ARG 12 HH21 ARG 12 2.657 -8.593 10.797 104 HH22 ARG 12 HH22 ARG 12 4.372 -8.593 10.855 105 H ALA 13 H ALA 13 -0.198 -4.921 4.647 106 HA ALA 13 HA ALA 13 -0.531 -3.013 6.782 107 HB1 ALA 13 HB1 ALA 13 0.016 -2.541 3.851 108 HB2 ALA 13 HB2 ALA 13 1.248 -2.734 5.101 109 HB3 ALA 13 HB3 ALA 13 0.154 -1.349 5.142 110 H LEU 14 H LEU 14 -2.258 -3.803 3.785 111 HA LEU 14 HA LEU 14 -4.075 -1.670 4.014 112 HB2 LEU 14 HB2 LEU 14 -4.091 -4.187 2.412 113 HB3 LEU 14 HB3 LEU 14 -5.588 -3.294 2.561 114 HG LEU 14 HG LEU 14 -4.498 -1.317 1.558 115 HD11 LEU 14 HD11 LEU 14 -2.138 -3.119 1.139 116 HD12 LEU 14 HD12 LEU 14 -2.208 -1.713 2.200 117 HD13 LEU 14 HD13 LEU 14 -2.359 -1.508 0.454 118 HD21 LEU 14 HD21 LEU 14 -4.355 -2.175 -0.712 119 HD22 LEU 14 HD22 LEU 14 -5.733 -2.847 0.161 120 HD23 LEU 14 HD23 LEU 14 -4.284 -3.822 -0.083 121 H VAL 15 H VAL 15 -4.086 -4.796 5.439 122 HA VAL 15 HA VAL 15 -6.733 -4.844 6.409 123 HB VAL 15 HB VAL 15 -4.226 -5.948 7.750 124 HG11 VAL 15 HG11 VAL 15 -7.133 -6.615 8.230 125 HG12 VAL 15 HG12 VAL 15 -6.081 -5.731 9.333 126 HG13 VAL 15 HG13 VAL 15 -5.757 -7.429 8.976 127 HG21 VAL 15 HG21 VAL 15 -4.595 -6.888 5.528 128 HG22 VAL 15 HG22 VAL 15 -6.252 -7.298 5.966 129 HG23 VAL 15 HG23 VAL 15 -4.901 -8.093 6.777 130 H GLU 16 H GLU 16 -3.753 -3.643 7.967 131 HA GLU 16 HA GLU 16 -5.279 -2.660 10.176 132 HB2 GLU 16 HB2 GLU 16 -3.150 -2.009 11.183 133 HB3 GLU 16 HB3 GLU 16 -3.103 -3.642 10.533 134 HG2 GLU 16 HG2 GLU 16 -1.832 -2.976 8.674 135 HG3 GLU 16 HG3 GLU 16 -1.956 -1.276 9.141 136 H SER 17 H SER 17 -4.086 -1.221 7.238 137 HA SER 17 HA SER 17 -4.325 1.452 8.207 138 HB2 SER 17 HB2 SER 17 -4.315 0.436 5.354 139 HB3 SER 17 HB3 SER 17 -4.127 2.111 5.849 140 HG SER 17 HG SER 17 -2.297 0.902 7.190 141 H ALA 18 H ALA 18 -6.475 -0.807 6.513 142 HA ALA 18 HA ALA 18 -8.578 1.114 6.235 143 HB1 ALA 18 HB1 ALA 18 -8.446 -0.840 4.754 144 HB2 ALA 18 HB2 ALA 18 -9.976 -0.809 5.631 145 HB3 ALA 18 HB3 ALA 18 -8.690 -1.906 6.138 146 H GLY 19 H GLY 19 -7.776 -1.461 8.492 147 HA2 GLY 19 HA2 GLY 19 -8.274 -0.705 10.853 148 HA3 GLY 19 HA3 GLY 19 -9.928 -0.551 10.261 149 H GLU 20 H GLU 20 -10.362 -2.638 8.745 150 HA GLU 20 HA GLU 20 -9.459 -5.029 10.081 151 HB2 GLU 20 HB2 GLU 20 -11.719 -5.829 10.493 152 HB3 GLU 20 HB3 GLU 20 -11.414 -4.348 11.386 153 HG2 GLU 20 HG2 GLU 20 -12.739 -3.083 9.844 154 HG3 GLU 20 HG3 GLU 20 -12.915 -4.481 8.782 155 H THR 21 H THR 21 -10.909 -6.878 8.925 156 HA THR 21 HA THR 21 -10.760 -6.302 6.062 157 HB THR 21 HB THR 21 -10.811 -9.006 7.453 158 HG1 THR 21 HG1 THR 21 -8.657 -7.398 6.531 159 HG21 THR 21 HG21 THR 21 -11.475 -9.015 5.069 160 HG22 THR 21 HG22 THR 21 -9.925 -9.822 5.306 161 HG23 THR 21 HG23 THR 21 -9.975 -8.183 4.656 162 H ASP 22 H ASP 22 -12.840 -5.213 6.262 163 HA ASP 22 HA ASP 22 -15.107 -6.706 7.229 164 HB2 ASP 22 HB2 ASP 22 -15.110 -4.324 7.637 165 HB3 ASP 22 HB3 ASP 22 -14.946 -3.989 5.914 166 H GLY 23 H GLY 23 -14.638 -5.079 4.104 167 HA2 GLY 23 HA2 GLY 23 -15.836 -7.437 2.840 168 HA3 GLY 23 HA3 GLY 23 -16.439 -5.818 2.485 169 H THR 24 H THR 24 -13.502 -7.723 2.546 170 HA THR 24 HA THR 24 -12.774 -6.760 -0.014 171 HB THR 24 HB THR 24 -12.031 -4.821 1.198 172 HG1 THR 24 HG1 THR 24 -10.586 -5.303 -0.340 173 HG21 THR 24 HG21 THR 24 -10.374 -4.898 3.035 174 HG22 THR 24 HG22 THR 24 -10.455 -6.658 3.020 175 HG23 THR 24 HG23 THR 24 -11.873 -5.715 3.477 176 H ASP 25 H ASP 25 -12.509 -8.788 -0.737 177 HA ASP 25 HA ASP 25 -10.993 -10.787 0.625 178 HB2 ASP 25 HB2 ASP 25 -12.607 -11.360 -1.196 179 HB3 ASP 25 HB3 ASP 25 -11.600 -10.495 -2.347 180 H LEU 26 H LEU 26 -9.107 -10.043 1.251 181 HA LEU 26 HA LEU 26 -7.446 -8.474 -0.597 182 HB2 LEU 26 HB2 LEU 26 -8.229 -7.554 1.611 183 HB3 LEU 26 HB3 LEU 26 -7.239 -8.763 2.391 184 HG LEU 26 HG LEU 26 -5.231 -7.731 1.352 185 HD11 LEU 26 HD11 LEU 26 -5.456 -5.514 0.347 186 HD12 LEU 26 HD12 LEU 26 -7.212 -5.635 0.465 187 HD13 LEU 26 HD13 LEU 26 -6.320 -6.733 -0.587 188 HD21 LEU 26 HD21 LEU 26 -5.221 -5.765 2.796 189 HD22 LEU 26 HD22 LEU 26 -5.942 -7.151 3.615 190 HD23 LEU 26 HD23 LEU 26 -6.971 -5.875 2.966 191 H SER 27 H SER 27 -7.751 -11.531 0.683 192 HA SER 27 HA SER 27 -4.889 -12.003 0.643 193 HB2 SER 27 HB2 SER 27 -7.090 -13.915 1.410 194 HB3 SER 27 HB3 SER 27 -5.360 -14.070 1.745 195 HG SER 27 HG SER 27 -7.277 -12.389 2.883 196 H GLY 28 H GLY 28 -4.510 -11.846 -1.517 197 HA2 GLY 28 HA2 GLY 28 -4.380 -13.979 -3.122 198 HA3 GLY 28 HA3 GLY 28 -5.956 -13.270 -3.507 199 H ASP 29 H ASP 29 -4.782 -12.859 -5.644 200 HA ASP 29 HA ASP 29 -2.874 -10.702 -5.491 201 HB2 ASP 29 HB2 ASP 29 -2.642 -12.406 -7.281 202 HB3 ASP 29 HB3 ASP 29 -4.180 -11.884 -7.958 203 H PHE 30 H PHE 30 -4.143 -9.318 -4.363 204 HA PHE 30 HA PHE 30 -6.506 -8.150 -5.536 205 HB2 PHE 30 HB2 PHE 30 -6.543 -6.711 -3.552 206 HB3 PHE 30 HB3 PHE 30 -6.338 -8.395 -3.100 207 HD1 PHE 30 HD2 PHE 30 -4.139 -9.189 -2.276 208 HD2 PHE 30 HD1 PHE 30 -4.867 -5.083 -3.080 209 HE1 PHE 30 HE2 PHE 30 -2.151 -8.583 -0.973 210 HE2 PHE 30 HE1 PHE 30 -2.877 -4.472 -1.780 211 HZ PHE 30 HZ PHE 30 -1.538 -6.226 -0.692 212 H LEU 31 H LEU 31 -3.367 -7.844 -6.179 213 HA LEU 31 HA LEU 31 -2.781 -5.142 -6.199 214 HB2 LEU 31 HB2 LEU 31 -1.699 -7.357 -7.912 215 HB3 LEU 31 HB3 LEU 31 -1.162 -5.710 -8.105 216 HG LEU 31 HG LEU 31 -0.413 -5.718 -5.725 217 HD11 LEU 31 HD11 LEU 31 -0.995 -8.664 -5.858 218 HD12 LEU 31 HD12 LEU 31 -1.810 -7.476 -4.839 219 HD13 LEU 31 HD13 LEU 31 -0.104 -7.842 -4.576 220 HD21 LEU 31 HD21 LEU 31 1.591 -7.062 -6.135 221 HD22 LEU 31 HD22 LEU 31 1.156 -6.076 -7.532 222 HD23 LEU 31 HD23 LEU 31 0.800 -7.803 -7.527 223 H ASP 32 H ASP 32 -4.824 -6.824 -8.407 224 HA ASP 32 HA ASP 32 -4.798 -4.546 -10.253 225 HB2 ASP 32 HB2 ASP 32 -4.642 -6.832 -11.183 226 HB3 ASP 32 HB3 ASP 32 -6.219 -7.208 -10.504 227 H LEU 33 H LEU 33 -6.465 -5.510 -7.544 228 HA LEU 33 HA LEU 33 -9.090 -4.582 -8.321 229 HB2 LEU 33 HB2 LEU 33 -7.941 -5.413 -5.661 230 HB3 LEU 33 HB3 LEU 33 -9.606 -4.922 -5.903 231 HG LEU 33 HG LEU 33 -8.308 -7.319 -7.194 232 HD11 LEU 33 HD11 LEU 33 -8.566 -7.584 -4.788 233 HD12 LEU 33 HD12 LEU 33 -9.708 -8.607 -5.664 234 HD13 LEU 33 HD13 LEU 33 -10.258 -7.102 -4.915 235 HD21 LEU 33 HD21 LEU 33 -11.173 -6.372 -7.146 236 HD22 LEU 33 HD22 LEU 33 -10.599 -7.883 -7.850 237 HD23 LEU 33 HD23 LEU 33 -10.094 -6.339 -8.540 238 H ARG 34 H ARG 34 -9.835 -2.591 -7.966 239 HA ARG 34 HA ARG 34 -7.887 -0.530 -7.548 240 HB2 ARG 34 HB2 ARG 34 -10.886 -0.350 -7.754 241 HB3 ARG 34 HB3 ARG 34 -9.754 0.987 -7.893 242 HG2 ARG 34 HG2 ARG 34 -8.834 0.062 -9.899 243 HG3 ARG 34 HG3 ARG 34 -9.841 -1.380 -9.732 244 HD2 ARG 34 HD2 ARG 34 -10.786 0.125 -11.361 245 HD3 ARG 34 HD3 ARG 34 -11.834 0.002 -9.954 246 HE ARG 34 HE ARG 34 -10.189 2.190 -9.542 247 HH11 ARG 34 HH11 ARG 34 -12.426 1.232 -12.091 248 HH12 ARG 34 HH12 ARG 34 -13.088 2.793 -12.305 249 HH21 ARG 34 HH21 ARG 34 -11.185 4.336 -9.758 250 HH22 ARG 34 HH22 ARG 34 -12.371 4.588 -10.950 251 H PHE 35 H PHE 35 -7.610 0.774 -5.830 252 HA PHE 35 HA PHE 35 -8.299 0.023 -3.252 253 HB2 PHE 35 HB2 PHE 35 -7.561 2.739 -4.339 254 HB3 PHE 35 HB3 PHE 35 -7.828 2.445 -2.627 255 HD1 PHE 35 HD2 PHE 35 -6.385 0.650 -1.514 256 HD2 PHE 35 HD1 PHE 35 -5.469 2.382 -5.284 257 HE1 PHE 35 HE2 PHE 35 -4.040 -0.026 -1.245 258 HE2 PHE 35 HE1 PHE 35 -3.118 1.712 -5.021 259 HZ PHE 35 HZ PHE 35 -2.400 0.510 -2.998 260 H GLU 36 H GLU 36 -9.922 2.269 -5.392 261 HA GLU 36 HA GLU 36 -12.014 3.119 -3.774 262 HB2 GLU 36 HB2 GLU 36 -12.018 2.547 -6.727 263 HB3 GLU 36 HB3 GLU 36 -13.288 3.418 -5.883 264 HG2 GLU 36 HG2 GLU 36 -11.734 5.153 -5.268 265 HG3 GLU 36 HG3 GLU 36 -10.412 4.261 -6.018 266 H ASP 37 H ASP 37 -11.586 0.023 -5.302 267 HA ASP 37 HA ASP 37 -14.369 -0.732 -5.044 268 HB2 ASP 37 HB2 ASP 37 -12.907 -1.529 -6.925 269 HB3 ASP 37 HB3 ASP 37 -11.987 -2.464 -5.755 270 H ILE 38 H ILE 38 -11.380 -1.067 -3.301 271 HA ILE 38 HA ILE 38 -12.577 -3.047 -1.532 272 HB ILE 38 HB ILE 38 -10.371 -3.317 -0.479 273 HG12 ILE 38 HG12 ILE 38 -9.429 -1.229 -2.468 274 HG13 ILE 38 HG13 ILE 38 -9.543 -1.013 -0.728 275 HG21 ILE 38 HG21 ILE 38 -10.276 -3.446 -3.487 276 HG22 ILE 38 HG22 ILE 38 -10.901 -4.687 -2.404 277 HG23 ILE 38 HG23 ILE 38 -9.182 -4.291 -2.393 278 HD11 ILE 38 HD11 ILE 38 -7.827 -2.704 -0.394 279 HD12 ILE 38 HD12 ILE 38 -7.252 -1.400 -1.435 280 HD13 ILE 38 HD13 ILE 38 -7.720 -2.947 -2.136 281 H GLY 39 H GLY 39 -13.093 -0.045 -1.655 282 HA2 GLY 39 HA2 GLY 39 -14.097 1.329 -0.062 283 HA3 GLY 39 HA3 GLY 39 -13.626 0.173 1.173 284 H TYR 40 H TYR 40 -11.223 1.447 -0.963 285 HA TYR 40 HA TYR 40 -10.024 2.906 1.270 286 HB2 TYR 40 HB2 TYR 40 -8.985 1.456 -1.063 287 HB3 TYR 40 HB3 TYR 40 -8.268 3.025 -0.818 288 HD1 TYR 40 HD1 TYR 40 -9.299 0.210 1.344 289 HD2 TYR 40 HD2 TYR 40 -6.218 2.924 0.263 290 HE1 TYR 40 HE1 TYR 40 -7.858 -0.782 3.040 291 HE2 TYR 40 HE2 TYR 40 -4.755 1.930 1.985 292 HH TYR 40 HH TYR 40 -5.812 -0.918 3.776 293 H ASP 41 H ASP 41 -9.283 4.975 1.003 294 HA ASP 41 HA ASP 41 -9.944 6.425 -1.450 295 HB2 ASP 41 HB2 ASP 41 -10.206 7.454 1.362 296 HB3 ASP 41 HB3 ASP 41 -10.276 8.453 -0.058 297 H SER 42 H SER 42 -8.734 8.583 -1.167 298 HA SER 42 HA SER 42 -6.037 8.208 -1.459 299 HB2 SER 42 HB2 SER 42 -5.911 10.646 -1.053 300 HB3 SER 42 HB3 SER 42 -7.201 10.179 -2.177 301 H LEU 43 H LEU 43 -7.738 9.350 1.385 302 HA LEU 43 HA LEU 43 -5.496 9.910 2.959 303 HB2 LEU 43 HB2 LEU 43 -8.287 9.260 3.887 304 HB3 LEU 43 HB3 LEU 43 -7.050 10.059 4.842 305 HG LEU 43 HG LEU 43 -8.308 11.165 2.326 306 HD11 LEU 43 HD11 LEU 43 -8.665 11.987 5.199 307 HD12 LEU 43 HD12 LEU 43 -9.858 11.172 4.184 308 HD13 LEU 43 HD13 LEU 43 -9.335 12.806 3.787 309 HD21 LEU 43 HD21 LEU 43 -7.105 13.230 2.887 310 HD22 LEU 43 HD22 LEU 43 -5.998 11.895 2.566 311 HD23 LEU 43 HD23 LEU 43 -6.315 12.399 4.227 312 H ALA 44 H ALA 44 -7.629 7.034 3.236 313 HA ALA 44 HA ALA 44 -5.978 5.662 5.089 314 HB1 ALA 44 HB1 ALA 44 -7.839 4.471 3.024 315 HB2 ALA 44 HB2 ALA 44 -8.313 5.012 4.634 316 HB3 ALA 44 HB3 ALA 44 -7.207 3.650 4.453 317 H LEU 45 H LEU 45 -5.937 5.866 1.632 318 HA LEU 45 HA LEU 45 -4.140 3.761 1.104 319 HB2 LEU 45 HB2 LEU 45 -5.777 5.059 -0.355 320 HB3 LEU 45 HB3 LEU 45 -4.558 6.260 -0.574 321 HG LEU 45 HG LEU 45 -4.615 3.389 -1.499 322 HD11 LEU 45 HD11 LEU 45 -5.894 4.908 -2.815 323 HD12 LEU 45 HD12 LEU 45 -4.477 4.360 -3.711 324 HD13 LEU 45 HD13 LEU 45 -4.502 5.977 -2.999 325 HD21 LEU 45 HD21 LEU 45 -2.323 3.858 -0.805 326 HD22 LEU 45 HD22 LEU 45 -2.309 5.312 -1.814 327 HD23 LEU 45 HD23 LEU 45 -2.448 3.712 -2.557 328 H MET 46 H MET 46 -3.708 7.265 1.580 329 HA MET 46 HA MET 46 -0.907 7.394 1.322 330 HB2 MET 46 HB2 MET 46 -2.737 9.087 3.038 331 HB3 MET 46 HB3 MET 46 -1.047 9.451 2.734 332 HG2 MET 46 HG2 MET 46 -1.502 9.709 0.387 333 HG3 MET 46 HG3 MET 46 -3.192 9.278 0.647 334 HE1 MET 46 HE1 MET 46 -4.124 11.464 -0.493 335 HE2 MET 46 HE2 MET 46 -2.466 11.921 -0.891 336 HE3 MET 46 HE3 MET 46 -3.544 13.090 -0.126 337 H GLU 47 H GLU 47 -2.991 6.760 4.041 338 HA GLU 47 HA GLU 47 -1.111 6.550 6.071 339 HB2 GLU 47 HB2 GLU 47 -3.785 5.539 5.535 340 HB3 GLU 47 HB3 GLU 47 -2.956 4.759 6.887 341 HG2 GLU 47 HG2 GLU 47 -3.554 7.689 6.514 342 HG3 GLU 47 HG3 GLU 47 -4.343 6.589 7.648 343 H THR 48 H THR 48 -2.212 4.065 3.809 344 HA THR 48 HA THR 48 -0.662 1.953 4.763 345 HB THR 48 HB THR 48 -1.684 2.650 2.012 346 HG1 THR 48 HG1 THR 48 -2.569 1.271 4.248 347 HG21 THR 48 HG21 THR 48 0.223 1.126 1.766 348 HG22 THR 48 HG22 THR 48 -1.278 0.279 1.408 349 HG23 THR 48 HG23 THR 48 -0.470 0.029 2.962 350 H ALA 49 H ALA 49 0.023 4.298 2.163 351 HA ALA 49 HA ALA 49 2.600 3.446 1.536 352 HB1 ALA 49 HB1 ALA 49 1.504 6.258 1.412 353 HB2 ALA 49 HB2 ALA 49 1.305 5.025 0.169 354 HB3 ALA 49 HB3 ALA 49 2.914 5.650 0.541 355 H ALA 50 H ALA 50 1.563 6.007 3.756 356 HA ALA 50 HA ALA 50 4.032 6.847 4.687 357 HB1 ALA 50 HB1 ALA 50 1.936 8.060 5.057 358 HB2 ALA 50 HB2 ALA 50 2.837 7.834 6.556 359 HB3 ALA 50 HB3 ALA 50 1.431 6.827 6.213 360 H ARG 51 H ARG 51 2.017 4.242 5.813 361 HA ARG 51 HA ARG 51 3.383 3.540 8.176 362 HB2 ARG 51 HB2 ARG 51 1.192 2.648 7.573 363 HB3 ARG 51 HB3 ARG 51 1.890 1.821 6.193 364 HG2 ARG 51 HG2 ARG 51 3.319 0.562 7.900 365 HG3 ARG 51 HG3 ARG 51 2.191 1.193 9.109 366 HD2 ARG 51 HD2 ARG 51 0.327 0.241 7.841 367 HD3 ARG 51 HD3 ARG 51 1.464 -0.415 6.672 368 HE ARG 51 HE ARG 51 0.992 -1.299 9.401 369 HH11 ARG 51 HH11 ARG 51 2.963 -1.736 6.516 370 HH12 ARG 51 HH12 ARG 51 3.214 -3.410 6.729 371 HH21 ARG 51 HH21 ARG 51 1.270 -3.590 9.684 372 HH22 ARG 51 HH22 ARG 51 2.285 -4.472 8.620 373 H LEU 52 H LEU 52 3.655 2.326 4.855 374 HA LEU 52 HA LEU 52 5.767 0.544 5.467 375 HB2 LEU 52 HB2 LEU 52 5.087 1.550 2.674 376 HB3 LEU 52 HB3 LEU 52 5.878 0.046 3.132 377 HG LEU 52 HG LEU 52 2.994 0.663 3.700 378 HD11 LEU 52 HD11 LEU 52 2.536 -1.016 2.003 379 HD12 LEU 52 HD12 LEU 52 4.263 -1.166 1.688 380 HD13 LEU 52 HD13 LEU 52 3.430 0.348 1.321 381 HD21 LEU 52 HD21 LEU 52 4.625 -1.841 4.065 382 HD22 LEU 52 HD22 LEU 52 2.884 -1.694 4.309 383 HD23 LEU 52 HD23 LEU 52 4.001 -0.811 5.351 384 H GLU 53 H GLU 53 5.621 3.876 4.394 385 HA GLU 53 HA GLU 53 8.299 4.309 3.728 386 HB2 GLU 53 HB2 GLU 53 6.421 6.126 5.148 387 HB3 GLU 53 HB3 GLU 53 7.953 6.654 4.475 388 HG2 GLU 53 HG2 GLU 53 7.078 6.039 2.235 389 HG3 GLU 53 HG3 GLU 53 5.527 5.664 2.995 390 H SER 54 H SER 54 6.736 4.920 6.875 391 HA SER 54 HA SER 54 9.066 5.564 8.234 392 HB2 SER 54 HB2 SER 54 6.517 4.401 9.365 393 HB3 SER 54 HB3 SER 54 7.700 5.405 10.212 394 HG SER 54 HG SER 54 7.191 7.095 8.714 395 H ARG 55 H ARG 55 7.315 2.468 8.012 396 HA ARG 55 HA ARG 55 9.039 1.121 9.778 397 HB2 ARG 55 HB2 ARG 55 6.808 0.289 9.460 398 HB3 ARG 55 HB3 ARG 55 7.097 0.030 7.747 399 HG2 ARG 55 HG2 ARG 55 8.563 -1.791 8.181 400 HG3 ARG 55 HG3 ARG 55 8.603 -1.430 9.907 401 HD2 ARG 55 HD2 ARG 55 6.146 -2.294 8.375 402 HD3 ARG 55 HD3 ARG 55 7.153 -3.367 9.351 403 HE ARG 55 HE ARG 55 6.347 -1.146 10.889 404 HH11 ARG 55 HH11 ARG 55 4.929 -4.167 9.613 405 HH12 ARG 55 HH12 ARG 55 3.774 -4.258 10.862 406 HH21 ARG 55 HH21 ARG 55 4.836 -1.341 12.550 407 HH22 ARG 55 HH22 ARG 55 3.771 -2.670 12.607 408 H TYR 56 H TYR 56 9.073 1.211 6.194 409 HA TYR 56 HA TYR 56 11.357 -0.605 6.344 410 HB2 TYR 56 HB2 TYR 56 9.705 0.155 3.939 411 HB3 TYR 56 HB3 TYR 56 11.019 -1.019 3.952 412 HD1 TYR 56 HD2 TYR 56 10.766 -3.128 5.284 413 HD2 TYR 56 HD1 TYR 56 7.545 -0.425 4.687 414 HE1 TYR 56 HE2 TYR 56 9.173 -4.873 5.976 415 HE2 TYR 56 HE1 TYR 56 5.955 -2.141 5.367 416 HH TYR 56 HH TYR 56 5.786 -4.493 5.539 417 H GLY 57 H GLY 57 10.793 2.702 5.877 418 HA2 GLY 57 HA2 GLY 57 12.513 4.270 5.746 419 HA3 GLY 57 HA3 GLY 57 13.600 3.013 5.174 420 H VAL 58 H VAL 58 10.468 3.526 3.817 421 HA VAL 58 HA VAL 58 11.766 4.348 1.325 422 HB VAL 58 HB VAL 58 9.800 3.608 0.075 423 HG11 VAL 58 HG11 VAL 58 10.605 1.587 2.098 424 HG12 VAL 58 HG12 VAL 58 11.457 1.930 0.571 425 HG13 VAL 58 HG13 VAL 58 9.813 1.246 0.561 426 HG21 VAL 58 HG21 VAL 58 7.926 2.476 1.146 427 HG22 VAL 58 HG22 VAL 58 8.062 4.152 1.679 428 HG23 VAL 58 HG23 VAL 58 8.606 2.845 2.730 429 H SER 59 H SER 59 10.112 5.758 -0.093 430 HA SER 59 HA SER 59 8.620 7.545 1.593 431 HB2 SER 59 HB2 SER 59 10.979 8.455 1.477 432 HB3 SER 59 HB3 SER 59 10.772 8.609 -0.266 433 HG SER 59 HG SER 59 9.224 9.885 1.749 434 H ILE 60 H ILE 60 6.803 8.029 0.639 435 HA ILE 60 HA ILE 60 6.505 7.877 -2.284 436 HB ILE 60 HB ILE 60 4.558 6.689 -0.233 437 HG12 ILE 60 HG12 ILE 60 4.716 4.563 -1.535 438 HG13 ILE 60 HG13 ILE 60 5.969 5.288 -2.546 439 HG21 ILE 60 HG21 ILE 60 3.290 7.886 -1.877 440 HG22 ILE 60 HG22 ILE 60 3.061 6.151 -2.098 441 HG23 ILE 60 HG23 ILE 60 4.121 7.045 -3.186 442 HD11 ILE 60 HD11 ILE 60 7.381 5.421 -0.555 443 HD12 ILE 60 HD12 ILE 60 6.861 3.774 -0.914 444 HD13 ILE 60 HD13 ILE 60 6.089 4.679 0.387 445 HA PRO 61 HA PRO 61 5.057 11.980 -1.118 446 HB2 PRO 61 HB2 PRO 61 4.272 11.982 -3.986 447 HB3 PRO 61 HB3 PRO 61 5.225 13.165 -3.080 448 HG2 PRO 61 HG2 PRO 61 6.409 11.510 -4.789 449 HG3 PRO 61 HG3 PRO 61 7.175 11.915 -3.241 450 HD2 PRO 61 HD2 PRO 61 5.697 9.437 -4.033 451 HD3 PRO 61 HD3 PRO 61 7.177 9.606 -3.062 452 H ASP 62 H ASP 62 3.119 12.864 -0.735 453 HA ASP 62 HA ASP 62 0.938 11.200 -0.172 454 HB2 ASP 62 HB2 ASP 62 0.916 14.214 -0.441 455 HB3 ASP 62 HB3 ASP 62 -0.309 13.246 0.365 456 H ASP 63 H ASP 63 1.513 13.365 -2.880 457 HA ASP 63 HA ASP 63 -1.141 13.209 -3.904 458 HB2 ASP 63 HB2 ASP 63 -0.320 14.460 -5.774 459 HB3 ASP 63 HB3 ASP 63 0.484 15.089 -4.341 460 H VAL 64 H VAL 64 1.793 11.443 -4.343 461 HA VAL 64 HA VAL 64 0.972 9.951 -6.663 462 HB VAL 64 HB VAL 64 3.096 9.343 -4.605 463 HG11 VAL 64 HG11 VAL 64 4.124 7.982 -6.411 464 HG12 VAL 64 HG12 VAL 64 2.757 8.365 -7.456 465 HG13 VAL 64 HG13 VAL 64 2.510 7.402 -5.998 466 HG21 VAL 64 HG21 VAL 64 4.690 10.350 -6.201 467 HG22 VAL 64 HG22 VAL 64 3.502 11.510 -5.607 468 HG23 VAL 64 HG23 VAL 64 3.336 10.828 -7.224 469 H ALA 65 H ALA 65 1.086 9.404 -3.190 470 HA ALA 65 HA ALA 65 -0.005 6.836 -3.155 471 HB1 ALA 65 HB1 ALA 65 -0.682 7.349 -0.842 472 HB2 ALA 65 HB2 ALA 65 -0.328 9.059 -1.144 473 HB3 ALA 65 HB3 ALA 65 0.969 7.869 -1.181 474 H GLY 66 H GLY 66 -1.559 9.992 -3.415 475 HA2 GLY 66 HA2 GLY 66 -4.213 8.798 -3.409 476 HA3 GLY 66 HA3 GLY 66 -3.841 10.505 -3.601 477 H ARG 67 H ARG 67 -1.869 8.890 -5.655 478 HA ARG 67 HA ARG 67 -3.569 9.506 -7.960 479 HB2 ARG 67 HB2 ARG 67 -1.427 10.598 -7.967 480 HB3 ARG 67 HB3 ARG 67 -0.595 9.089 -7.653 481 HG2 ARG 67 HG2 ARG 67 -1.261 8.297 -9.893 482 HG3 ARG 67 HG3 ARG 67 -2.024 9.862 -10.189 483 HD2 ARG 67 HD2 ARG 67 0.081 10.995 -9.987 484 HD3 ARG 67 HD3 ARG 67 0.882 9.513 -9.468 485 HE ARG 67 HE ARG 67 -0.239 9.024 -11.956 486 HH11 ARG 67 HH11 ARG 67 2.229 11.238 -10.632 487 HH12 ARG 67 HH12 ARG 67 3.204 11.225 -12.030 488 HH21 ARG 67 HH21 ARG 67 1.175 8.950 -13.889 489 HH22 ARG 67 HH22 ARG 67 2.626 9.838 -13.893 490 H VAL 68 H VAL 68 -1.962 6.875 -6.372 491 HA VAL 68 HA VAL 68 -2.132 5.097 -8.610 492 HB VAL 68 HB VAL 68 -1.364 3.336 -6.935 493 HG11 VAL 68 HG11 VAL 68 0.902 4.273 -6.799 494 HG12 VAL 68 HG12 VAL 68 0.265 5.864 -7.211 495 HG13 VAL 68 HG13 VAL 68 0.181 4.550 -8.382 496 HG21 VAL 68 HG21 VAL 68 -0.508 4.138 -4.791 497 HG22 VAL 68 HG22 VAL 68 -2.247 4.434 -4.905 498 HG23 VAL 68 HG23 VAL 68 -1.101 5.757 -5.158 499 H ASP 69 H ASP 69 -3.762 4.026 -9.255 500 HA ASP 69 HA ASP 69 -6.156 3.746 -7.634 501 HB2 ASP 69 HB2 ASP 69 -6.450 4.445 -9.914 502 HB3 ASP 69 HB3 ASP 69 -5.558 3.053 -10.502 503 H THR 70 H THR 70 -3.740 1.581 -9.109 504 HA THR 70 HA THR 70 -5.112 -0.555 -7.682 505 HB THR 70 HB THR 70 -3.880 -2.166 -9.130 506 HG1 THR 70 HG1 THR 70 -2.837 0.234 -10.232 507 HG21 THR 70 HG21 THR 70 -5.130 -1.692 -11.208 508 HG22 THR 70 HG22 THR 70 -5.467 -0.063 -10.602 509 HG23 THR 70 HG23 THR 70 -6.118 -1.466 -9.762 510 HA PRO 71 HA PRO 71 -2.136 -0.805 -4.459 511 HB2 PRO 71 HB2 PRO 71 -2.484 -3.749 -4.828 512 HB3 PRO 71 HB3 PRO 71 -2.592 -2.779 -3.354 513 HG2 PRO 71 HG2 PRO 71 -4.793 -3.627 -4.510 514 HG3 PRO 71 HG3 PRO 71 -4.703 -1.966 -3.890 515 HD2 PRO 71 HD2 PRO 71 -4.496 -2.952 -6.702 516 HD3 PRO 71 HD3 PRO 71 -5.331 -1.520 -6.070 517 H ARG 72 H ARG 72 -1.778 -2.850 -7.264 518 HA ARG 72 HA ARG 72 0.811 -3.780 -6.969 519 HB2 ARG 72 HB2 ARG 72 -0.719 -4.464 -8.777 520 HB3 ARG 72 HB3 ARG 72 -0.522 -2.890 -9.531 521 HG2 ARG 72 HG2 ARG 72 1.812 -3.307 -9.883 522 HG3 ARG 72 HG3 ARG 72 1.668 -4.874 -9.080 523 HD2 ARG 72 HD2 ARG 72 0.126 -5.629 -10.786 524 HD3 ARG 72 HD3 ARG 72 0.186 -4.046 -11.566 525 HE ARG 72 HE ARG 72 2.751 -5.052 -11.238 526 HH11 ARG 72 HH11 ARG 72 -0.157 -5.802 -13.127 527 HH12 ARG 72 HH12 ARG 72 0.681 -6.249 -14.525 528 HH21 ARG 72 HH21 ARG 72 3.928 -5.633 -13.227 529 HH22 ARG 72 HH22 ARG 72 3.028 -6.201 -14.591 530 H GLU 73 H GLU 73 -0.309 -0.720 -8.298 531 HA GLU 73 HA GLU 73 2.173 0.319 -9.122 532 HB2 GLU 73 HB2 GLU 73 -0.325 1.749 -8.247 533 HB3 GLU 73 HB3 GLU 73 1.000 2.454 -9.162 534 HG2 GLU 73 HG2 GLU 73 0.534 1.058 -11.035 535 HG3 GLU 73 HG3 GLU 73 -0.665 0.148 -10.109 536 H LEU 74 H LEU 74 0.348 0.589 -6.137 537 HA LEU 74 HA LEU 74 2.066 2.486 -4.892 538 HB2 LEU 74 HB2 LEU 74 -0.351 2.026 -4.282 539 HB3 LEU 74 HB3 LEU 74 0.159 0.512 -3.588 540 HG LEU 74 HG LEU 74 -0.354 2.312 -1.931 541 HD11 LEU 74 HD11 LEU 74 1.574 1.988 -0.478 542 HD12 LEU 74 HD12 LEU 74 2.485 1.329 -1.838 543 HD13 LEU 74 HD13 LEU 74 1.065 0.479 -1.238 544 HD21 LEU 74 HD21 LEU 74 0.470 4.227 -3.155 545 HD22 LEU 74 HD22 LEU 74 2.120 3.615 -3.050 546 HD23 LEU 74 HD23 LEU 74 1.272 4.116 -1.587 547 H LEU 75 H LEU 75 1.733 -1.023 -4.731 548 HA LEU 75 HA LEU 75 3.765 -1.616 -2.923 549 HB2 LEU 75 HB2 LEU 75 2.066 -3.209 -3.785 550 HB3 LEU 75 HB3 LEU 75 2.895 -3.217 -5.325 551 HG LEU 75 HG LEU 75 4.880 -4.191 -4.238 552 HD11 LEU 75 HD11 LEU 75 3.104 -4.279 -1.810 553 HD12 LEU 75 HD12 LEU 75 4.552 -3.292 -2.010 554 HD13 LEU 75 HD13 LEU 75 4.683 -5.050 -1.955 555 HD21 LEU 75 HD21 LEU 75 3.923 -6.414 -3.868 556 HD22 LEU 75 HD22 LEU 75 3.215 -5.640 -5.285 557 HD23 LEU 75 HD23 LEU 75 2.311 -5.705 -3.772 558 H ASP 76 H ASP 76 3.836 -1.162 -6.401 559 HA ASP 76 HA ASP 76 6.530 -1.796 -6.853 560 HB2 ASP 76 HB2 ASP 76 4.848 -1.659 -8.646 561 HB3 ASP 76 HB3 ASP 76 4.736 0.080 -8.406 562 H LEU 77 H LEU 77 4.955 1.234 -6.027 563 HA LEU 77 HA LEU 77 7.151 2.990 -6.219 564 HB2 LEU 77 HB2 LEU 77 4.840 3.047 -4.282 565 HB3 LEU 77 HB3 LEU 77 5.938 4.377 -4.567 566 HG LEU 77 HG LEU 77 4.104 3.210 -6.649 567 HD11 LEU 77 HD11 LEU 77 2.854 4.239 -4.837 568 HD12 LEU 77 HD12 LEU 77 2.776 5.226 -6.296 569 HD13 LEU 77 HD13 LEU 77 3.841 5.692 -4.971 570 HD21 LEU 77 HD21 LEU 77 5.771 5.727 -6.610 571 HD22 LEU 77 HD22 LEU 77 4.661 5.241 -7.891 572 HD23 LEU 77 HD23 LEU 77 6.104 4.281 -7.565 573 H ILE 78 H ILE 78 6.020 0.920 -3.641 574 HA ILE 78 HA ILE 78 7.905 1.643 -1.647 575 HB ILE 78 HB ILE 78 6.695 -1.111 -2.028 576 HG12 ILE 78 HG12 ILE 78 4.871 0.553 -2.053 577 HG13 ILE 78 HG13 ILE 78 4.825 -0.434 -0.603 578 HG21 ILE 78 HG21 ILE 78 7.670 0.343 0.426 579 HG22 ILE 78 HG22 ILE 78 8.468 -1.000 -0.390 580 HG23 ILE 78 HG23 ILE 78 6.921 -1.253 0.421 581 HD11 ILE 78 HD11 ILE 78 5.870 2.375 -0.803 582 HD12 ILE 78 HD12 ILE 78 5.826 1.392 0.662 583 HD13 ILE 78 HD13 ILE 78 4.322 1.883 -0.118 584 H ASN 79 H ASN 79 7.722 -1.099 -3.887 585 HA ASN 79 HA ASN 79 10.148 -2.355 -3.284 586 HB2 ASN 79 HB2 ASN 79 8.507 -2.382 -5.806 587 HB3 ASN 79 HB3 ASN 79 10.020 -3.258 -5.696 588 HD21 ASN 79 HD21 ASN 79 7.671 -2.969 -3.041 589 HD22 ASN 79 HD22 ASN 79 7.234 -4.648 -3.080 590 H GLY 80 H GLY 80 9.515 0.204 -5.605 591 HA2 GLY 80 HA2 GLY 80 12.066 0.223 -6.813 592 HA3 GLY 80 HA3 GLY 80 10.938 1.572 -6.777 593 H ALA 81 H ALA 81 10.771 2.009 -4.059 594 HA ALA 81 HA ALA 81 13.138 3.528 -3.649 595 HB1 ALA 81 HB1 ALA 81 10.890 2.949 -1.716 596 HB2 ALA 81 HB2 ALA 81 10.944 4.295 -2.855 597 HB3 ALA 81 HB3 ALA 81 12.114 4.206 -1.538 598 H LEU 82 H LEU 82 11.906 0.509 -2.400 599 HA LEU 82 HA LEU 82 13.727 -0.005 -0.336 600 HB2 LEU 82 HB2 LEU 82 12.275 -1.886 -2.189 601 HB3 LEU 82 HB3 LEU 82 13.223 -2.431 -0.825 602 HG LEU 82 HG LEU 82 10.849 -0.587 -0.551 603 HD11 LEU 82 HD11 LEU 82 9.607 -2.562 0.154 604 HD12 LEU 82 HD12 LEU 82 10.993 -3.584 -0.231 605 HD13 LEU 82 HD13 LEU 82 10.143 -2.723 -1.515 606 HD21 LEU 82 HD21 LEU 82 12.449 -0.536 1.291 607 HD22 LEU 82 HD22 LEU 82 12.356 -2.293 1.426 608 HD23 LEU 82 HD23 LEU 82 10.939 -1.303 1.780 609 H ALA 83 H ALA 83 13.899 -0.889 -3.766 610 HA ALA 83 HA ALA 83 16.380 -2.232 -3.654 611 HB1 ALA 83 HB1 ALA 83 15.129 -0.793 -5.986 612 HB2 ALA 83 HB2 ALA 83 14.816 -2.466 -5.526 613 HB3 ALA 83 HB3 ALA 83 16.421 -1.988 -6.077 614 H GLU 84 H GLU 84 15.519 1.081 -3.993 615 HA GLU 84 HA GLU 84 18.089 1.980 -4.826 616 HB2 GLU 84 HB2 GLU 84 16.077 3.153 -5.467 617 HB3 GLU 84 HB3 GLU 84 15.691 3.459 -3.782 618 HG2 GLU 84 HG2 GLU 84 17.660 4.853 -3.573 619 HG3 GLU 84 HG3 GLU 84 18.071 4.534 -5.261 620 H ALA 85 H ALA 85 16.246 2.482 -1.785 621 HA ALA 85 HA ALA 85 18.530 2.139 -0.148 622 HB1 ALA 85 HB1 ALA 85 19.112 4.353 -1.039 623 HB2 ALA 85 HB2 ALA 85 18.731 4.438 0.681 624 HB3 ALA 85 HB3 ALA 85 17.549 4.979 -0.511 625 H ALA 86 H ALA 86 17.532 1.106 1.441 626 HA ALA 86 HA ALA 86 15.091 2.291 2.532 627 HB1 ALA 86 HB1 ALA 86 14.585 0.201 1.348 628 HB2 ALA 86 HB2 ALA 86 14.348 0.017 3.086 629 HB3 ALA 86 HB3 ALA 86 15.793 -0.644 2.318 630 H28 SXA 87 H28A SXA 87 -9.746 12.694 -3.264 631 H28A SXA 87 H28B SXA 87 -9.770 13.932 -2.001 632 H30 SXA 87 H30A SXA 87 -8.050 15.645 -1.877 633 H30A SXA 87 H30B SXA 87 -6.738 15.714 -3.054 634 H30B SXA 87 H30C SXA 87 -6.810 14.389 -1.892 635 H31 SXA 87 H31A SXA 87 -6.670 14.013 -4.958 636 H31A SXA 87 H31B SXA 87 -7.905 12.756 -5.018 637 H31B SXA 87 H31C SXA 87 -6.699 12.742 -3.733 638 H32 SXA 87 H32A SXA 87 -9.728 15.835 -3.823 639 HO33 SXA 87 H33A SXA 87 -9.701 14.662 -6.135 640 HN36 SXA 87 H36A SXA 87 -7.440 16.998 -3.908 641 H37 SXA 87 H37A SXA 87 -6.155 17.213 -6.492 642 H37A SXA 87 H37B SXA 87 -7.098 18.624 -6.014 643 H38 SXA 87 H38A SXA 87 -4.741 18.903 -5.432 644 H38A SXA 87 H38B SXA 87 -5.746 18.858 -3.991 645 HN41 SXA 87 H41A SXA 87 -3.528 18.518 -3.165 646 H42 SXA 87 H42A SXA 87 -3.113 15.751 -2.458 647 H42A SXA 87 H42B SXA 87 -1.767 16.517 -3.314 648 H43 SXA 87 H43A SXA 87 -3.030 17.524 -0.762 649 H43A SXA 87 H43B SXA 87 -1.652 18.254 -1.600 650 H2 SXA 87 H2C SXA 87 0.936 17.410 2.023 651 H2A SXA 87 H2A SXA 87 0.411 15.775 1.604 652 H2B SXA 87 H2B SXA 87 -0.460 16.693 2.838 Start of MODEL 14 1 H1 MET 1 H1 MET 1 20.194 -3.899 1.141 2 H2 MET 1 H2 MET 1 20.714 -4.629 2.552 3 H3 MET 1 H3 MET 1 19.247 -3.779 2.521 4 HA MET 1 HA MET 1 19.853 -6.227 0.979 5 HB2 MET 1 HB2 MET 1 18.124 -5.851 3.435 6 HB3 MET 1 HB3 MET 1 18.110 -7.294 2.436 7 HG2 MET 1 HG2 MET 1 20.459 -6.228 3.978 8 HG3 MET 1 HG3 MET 1 19.451 -7.608 4.427 9 HE1 MET 1 HE1 MET 1 20.287 -10.181 1.584 10 HE2 MET 1 HE2 MET 1 18.955 -9.025 1.614 11 HE3 MET 1 HE3 MET 1 19.388 -9.908 3.077 12 H ALA 2 H ALA 2 17.142 -4.324 2.271 13 HA ALA 2 HA ALA 2 15.312 -3.485 1.402 14 HB1 ALA 2 HB1 ALA 2 16.432 -4.079 -1.339 15 HB2 ALA 2 HB2 ALA 2 16.661 -2.572 -0.449 16 HB3 ALA 2 HB3 ALA 2 15.046 -3.049 -0.977 17 H THR 3 H THR 3 14.103 -4.993 2.331 18 HA THR 3 HA THR 3 13.581 -7.516 1.140 19 HB THR 3 HB THR 3 11.734 -7.431 2.917 20 HG1 THR 3 HG1 THR 3 11.716 -5.147 2.933 21 HG21 THR 3 HG21 THR 3 13.914 -8.518 3.313 22 HG22 THR 3 HG22 THR 3 13.334 -7.715 4.772 23 HG23 THR 3 HG23 THR 3 14.596 -6.965 3.795 24 H LEU 4 H LEU 4 12.588 -7.455 -0.769 25 HA LEU 4 HA LEU 4 10.831 -5.407 -1.618 26 HB2 LEU 4 HB2 LEU 4 11.160 -8.184 -2.757 27 HB3 LEU 4 HB3 LEU 4 10.365 -6.844 -3.540 28 HG LEU 4 HG LEU 4 13.311 -6.969 -2.892 29 HD11 LEU 4 HD11 LEU 4 12.696 -8.500 -4.672 30 HD12 LEU 4 HD12 LEU 4 13.608 -7.132 -5.308 31 HD13 LEU 4 HD13 LEU 4 11.858 -7.200 -5.519 32 HD21 LEU 4 HD21 LEU 4 11.718 -4.901 -4.411 33 HD22 LEU 4 HD22 LEU 4 13.474 -4.926 -4.237 34 HD23 LEU 4 HD23 LEU 4 12.451 -4.683 -2.820 35 H LEU 5 H LEU 5 8.640 -5.509 -1.907 36 HA LEU 5 HA LEU 5 7.385 -6.907 0.280 37 HB2 LEU 5 HB2 LEU 5 6.072 -5.125 -1.735 38 HB3 LEU 5 HB3 LEU 5 5.431 -5.642 -0.196 39 HG LEU 5 HG LEU 5 7.565 -3.632 -0.756 40 HD11 LEU 5 HD11 LEU 5 5.278 -2.886 -0.869 41 HD12 LEU 5 HD12 LEU 5 6.078 -2.201 0.546 42 HD13 LEU 5 HD13 LEU 5 4.958 -3.553 0.732 43 HD21 LEU 5 HD21 LEU 5 6.841 -4.832 1.911 44 HD22 LEU 5 HD22 LEU 5 7.895 -3.440 1.656 45 HD23 LEU 5 HD23 LEU 5 8.375 -5.032 1.065 46 H THR 6 H THR 6 5.927 -8.436 0.124 47 HA THR 6 HA THR 6 5.318 -9.485 -2.524 48 HB THR 6 HB THR 6 4.427 -11.460 -1.243 49 HG1 THR 6 HG1 THR 6 5.541 -10.049 1.000 50 HG21 THR 6 HG21 THR 6 6.725 -11.512 -2.111 51 HG22 THR 6 HG22 THR 6 6.623 -12.367 -0.572 52 HG23 THR 6 HG23 THR 6 7.306 -10.741 -0.635 53 H THR 7 H THR 7 2.855 -10.580 -2.157 54 HA THR 7 HA THR 7 1.041 -8.476 -2.179 55 HB THR 7 HB THR 7 0.475 -11.357 -1.444 56 HG1 THR 7 HG1 THR 7 1.327 -11.813 -3.270 57 HG21 THR 7 HG21 THR 7 -1.435 -9.807 -1.344 58 HG22 THR 7 HG22 THR 7 -1.617 -10.949 -2.674 59 HG23 THR 7 HG23 THR 7 -1.106 -9.291 -2.999 60 H ASP 8 H ASP 8 2.162 -10.643 0.348 61 HA ASP 8 HA ASP 8 0.292 -10.024 2.364 62 HB2 ASP 8 HB2 ASP 8 1.632 -12.031 2.477 63 HB3 ASP 8 HB3 ASP 8 3.104 -11.071 2.610 64 H ASP 9 H ASP 9 3.504 -8.706 1.692 65 HA ASP 9 HA ASP 9 3.728 -7.092 4.024 66 HB2 ASP 9 HB2 ASP 9 4.940 -6.613 1.297 67 HB3 ASP 9 HB3 ASP 9 5.408 -5.775 2.762 68 H LEU 10 H LEU 10 2.611 -6.469 0.786 69 HA LEU 10 HA LEU 10 1.972 -3.758 1.088 70 HB2 LEU 10 HB2 LEU 10 2.241 -4.961 -1.053 71 HB3 LEU 10 HB3 LEU 10 0.781 -5.859 -0.718 72 HG LEU 10 HG LEU 10 -0.520 -3.766 -0.858 73 HD11 LEU 10 HD11 LEU 10 2.111 -2.539 -1.687 74 HD12 LEU 10 HD12 LEU 10 1.234 -2.193 -0.199 75 HD13 LEU 10 HD13 LEU 10 0.535 -1.753 -1.758 76 HD21 LEU 10 HD21 LEU 10 -0.256 -5.205 -2.797 77 HD22 LEU 10 HD22 LEU 10 1.234 -4.367 -3.231 78 HD23 LEU 10 HD23 LEU 10 -0.306 -3.509 -3.279 79 H ARG 11 H ARG 11 -0.001 -6.699 1.246 80 HA ARG 11 HA ARG 11 -2.487 -5.728 1.849 81 HB2 ARG 11 HB2 ARG 11 -1.981 -8.085 1.403 82 HB3 ARG 11 HB3 ARG 11 -1.180 -8.208 2.962 83 HG2 ARG 11 HG2 ARG 11 -3.329 -7.709 4.064 84 HG3 ARG 11 HG3 ARG 11 -4.104 -7.687 2.478 85 HD2 ARG 11 HD2 ARG 11 -4.425 -9.841 3.553 86 HD3 ARG 11 HD3 ARG 11 -3.420 -10.010 2.117 87 HE ARG 11 HE ARG 11 -1.493 -10.091 3.639 88 HH11 ARG 11 HH11 ARG 11 -4.702 -10.957 4.894 89 HH12 ARG 11 HH12 ARG 11 -4.106 -11.863 6.193 90 HH21 ARG 11 HH21 ARG 11 -0.660 -11.429 5.403 91 HH22 ARG 11 HH22 ARG 11 -1.743 -12.141 6.484 92 H ARG 12 H ARG 12 0.071 -6.554 4.158 93 HA ARG 12 HA ARG 12 -1.329 -6.067 6.508 94 HB2 ARG 12 HB2 ARG 12 1.614 -5.860 5.944 95 HB3 ARG 12 HB3 ARG 12 0.930 -5.735 7.564 96 HG2 ARG 12 HG2 ARG 12 -0.015 -7.988 7.294 97 HG3 ARG 12 HG3 ARG 12 0.756 -8.094 5.706 98 HD2 ARG 12 HD2 ARG 12 2.935 -7.816 6.742 99 HD3 ARG 12 HD3 ARG 12 2.172 -7.676 8.326 100 HE ARG 12 HE ARG 12 2.215 -10.061 6.629 101 HH11 ARG 12 HH11 ARG 12 1.929 -8.541 9.827 102 HH12 ARG 12 HH12 ARG 12 1.971 -9.990 10.707 103 HH21 ARG 12 HH21 ARG 12 2.243 -12.107 7.861 104 HH22 ARG 12 HH22 ARG 12 2.114 -12.050 9.568 105 H ALA 13 H ALA 13 0.402 -3.792 4.480 106 HA ALA 13 HA ALA 13 0.273 -1.613 6.282 107 HB1 ALA 13 HB1 ALA 13 1.792 -1.644 4.369 108 HB2 ALA 13 HB2 ALA 13 0.749 -0.220 4.340 109 HB3 ALA 13 HB3 ALA 13 0.411 -1.584 3.274 110 H LEU 14 H LEU 14 -1.813 -2.728 3.664 111 HA LEU 14 HA LEU 14 -3.693 -0.651 3.939 112 HB2 LEU 14 HB2 LEU 14 -3.925 -3.380 2.679 113 HB3 LEU 14 HB3 LEU 14 -5.299 -2.311 2.796 114 HG LEU 14 HG LEU 14 -3.887 -0.631 1.469 115 HD11 LEU 14 HD11 LEU 14 -2.307 -3.106 0.856 116 HD12 LEU 14 HD12 LEU 14 -1.730 -1.669 1.699 117 HD13 LEU 14 HD13 LEU 14 -2.198 -1.568 0.001 118 HD21 LEU 14 HD21 LEU 14 -4.522 -1.654 -0.656 119 HD22 LEU 14 HD22 LEU 14 -5.800 -1.772 0.552 120 HD23 LEU 14 HD23 LEU 14 -4.809 -3.181 0.176 121 H VAL 15 H VAL 15 -3.400 -3.815 5.421 122 HA VAL 15 HA VAL 15 -5.844 -4.021 6.752 123 HB VAL 15 HB VAL 15 -3.103 -4.914 7.753 124 HG11 VAL 15 HG11 VAL 15 -4.684 -4.787 9.620 125 HG12 VAL 15 HG12 VAL 15 -4.303 -6.462 9.230 126 HG13 VAL 15 HG13 VAL 15 -5.840 -5.765 8.716 127 HG21 VAL 15 HG21 VAL 15 -5.291 -6.438 6.343 128 HG22 VAL 15 HG22 VAL 15 -3.786 -7.126 6.950 129 HG23 VAL 15 HG23 VAL 15 -3.750 -5.940 5.645 130 H GLU 16 H GLU 16 -2.875 -2.428 7.843 131 HA GLU 16 HA GLU 16 -3.772 -1.457 10.292 132 HB2 GLU 16 HB2 GLU 16 -1.811 -0.250 8.347 133 HB3 GLU 16 HB3 GLU 16 -2.040 0.309 9.995 134 HG2 GLU 16 HG2 GLU 16 -1.129 -2.433 9.178 135 HG3 GLU 16 HG3 GLU 16 -0.093 -1.133 9.762 136 H SER 17 H SER 17 -4.016 -0.017 7.061 137 HA SER 17 HA SER 17 -5.190 2.408 8.024 138 HB2 SER 17 HB2 SER 17 -5.030 1.348 5.222 139 HB3 SER 17 HB3 SER 17 -5.228 3.029 5.732 140 HG SER 17 HG SER 17 -3.154 2.298 6.994 141 H ALA 18 H ALA 18 -6.410 -0.669 7.293 142 HA ALA 18 HA ALA 18 -9.017 0.096 6.399 143 HB1 ALA 18 HB1 ALA 18 -8.100 -2.121 5.887 144 HB2 ALA 18 HB2 ALA 18 -9.613 -2.260 6.783 145 HB3 ALA 18 HB3 ALA 18 -8.073 -2.510 7.608 146 H GLY 19 H GLY 19 -7.446 -0.440 9.450 147 HA2 GLY 19 HA2 GLY 19 -8.574 1.019 11.155 148 HA3 GLY 19 HA3 GLY 19 -9.996 0.053 10.793 149 H GLU 20 H GLU 20 -10.293 -1.783 11.810 150 HA GLU 20 HA GLU 20 -8.293 -2.442 13.871 151 HB2 GLU 20 HB2 GLU 20 -11.295 -2.731 13.933 152 HB3 GLU 20 HB3 GLU 20 -10.202 -3.205 15.227 153 HG2 GLU 20 HG2 GLU 20 -9.468 -0.866 15.436 154 HG3 GLU 20 HG3 GLU 20 -10.620 -0.416 14.184 155 H THR 21 H THR 21 -8.323 -3.502 11.258 156 HA THR 21 HA THR 21 -7.932 -5.417 10.162 157 HB THR 21 HB THR 21 -8.081 -6.817 12.861 158 HG1 THR 21 HG1 THR 21 -6.379 -4.962 12.048 159 HG21 THR 21 HG21 THR 21 -6.692 -7.584 10.277 160 HG22 THR 21 HG22 THR 21 -8.141 -8.353 10.931 161 HG23 THR 21 HG23 THR 21 -6.610 -8.481 11.793 162 H ASP 22 H ASP 22 -10.140 -4.845 9.400 163 HA ASP 22 HA ASP 22 -12.111 -6.861 10.007 164 HB2 ASP 22 HB2 ASP 22 -13.458 -5.685 8.218 165 HB3 ASP 22 HB3 ASP 22 -12.993 -4.641 9.554 166 H GLY 23 H GLY 23 -10.480 -5.745 7.072 167 HA2 GLY 23 HA2 GLY 23 -9.263 -7.038 5.570 168 HA3 GLY 23 HA3 GLY 23 -9.895 -8.494 6.343 169 H THR 24 H THR 24 -11.212 -5.632 4.755 170 HA THR 24 HA THR 24 -13.452 -6.871 3.657 171 HB THR 24 HB THR 24 -13.514 -4.525 3.897 172 HG1 THR 24 HG1 THR 24 -13.190 -5.060 1.151 173 HG21 THR 24 HG21 THR 24 -11.964 -2.956 2.778 174 HG22 THR 24 HG22 THR 24 -11.041 -4.327 2.159 175 HG23 THR 24 HG23 THR 24 -11.123 -4.031 3.895 176 H ASP 25 H ASP 25 -12.248 -8.856 2.898 177 HA ASP 25 HA ASP 25 -11.470 -10.279 1.304 178 HB2 ASP 25 HB2 ASP 25 -13.578 -9.317 0.184 179 HB3 ASP 25 HB3 ASP 25 -12.500 -8.263 -0.725 180 H LEU 26 H LEU 26 -9.654 -8.717 2.386 181 HA LEU 26 HA LEU 26 -8.074 -7.381 0.326 182 HB2 LEU 26 HB2 LEU 26 -8.680 -6.243 2.422 183 HB3 LEU 26 HB3 LEU 26 -7.769 -7.438 3.326 184 HG LEU 26 HG LEU 26 -5.721 -6.650 2.121 185 HD11 LEU 26 HD11 LEU 26 -6.804 -5.698 0.174 186 HD12 LEU 26 HD12 LEU 26 -5.838 -4.475 1.004 187 HD13 LEU 26 HD13 LEU 26 -7.594 -4.492 1.188 188 HD21 LEU 26 HD21 LEU 26 -7.250 -4.601 3.717 189 HD22 LEU 26 HD22 LEU 26 -5.507 -4.602 3.441 190 HD23 LEU 26 HD23 LEU 26 -6.252 -5.898 4.377 191 H SER 27 H SER 27 -8.256 -10.381 1.821 192 HA SER 27 HA SER 27 -5.380 -10.760 1.607 193 HB2 SER 27 HB2 SER 27 -7.406 -12.484 3.027 194 HB3 SER 27 HB3 SER 27 -5.646 -12.667 3.053 195 HG SER 27 HG SER 27 -7.240 -10.621 4.177 196 H GLY 28 H GLY 28 -4.544 -12.081 0.184 197 HA2 GLY 28 HA2 GLY 28 -4.855 -14.155 -1.165 198 HA3 GLY 28 HA3 GLY 28 -6.364 -13.406 -1.710 199 H ASP 29 H ASP 29 -6.315 -11.992 -3.312 200 HA ASP 29 HA ASP 29 -3.864 -10.527 -3.789 201 HB2 ASP 29 HB2 ASP 29 -3.717 -12.314 -5.457 202 HB3 ASP 29 HB3 ASP 29 -5.359 -11.977 -6.001 203 H PHE 30 H PHE 30 -4.179 -8.570 -4.590 204 HA PHE 30 HA PHE 30 -6.864 -7.608 -5.150 205 HB2 PHE 30 HB2 PHE 30 -6.836 -5.929 -3.296 206 HB3 PHE 30 HB3 PHE 30 -6.848 -7.581 -2.708 207 HD1 PHE 30 HD2 PHE 30 -4.712 -8.584 -1.828 208 HD2 PHE 30 HD1 PHE 30 -5.090 -4.448 -2.728 209 HE1 PHE 30 HE2 PHE 30 -2.723 -8.109 -0.467 210 HE2 PHE 30 HE1 PHE 30 -3.102 -3.971 -1.368 211 HZ PHE 30 HZ PHE 30 -1.918 -5.799 -0.239 212 H LEU 31 H LEU 31 -3.697 -7.652 -5.805 213 HA LEU 31 HA LEU 31 -2.895 -5.009 -6.110 214 HB2 LEU 31 HB2 LEU 31 -1.996 -7.570 -7.362 215 HB3 LEU 31 HB3 LEU 31 -1.335 -6.042 -7.896 216 HG LEU 31 HG LEU 31 -0.490 -5.622 -5.609 217 HD11 LEU 31 HD11 LEU 31 -0.433 -7.412 -3.963 218 HD12 LEU 31 HD12 LEU 31 -1.448 -8.411 -5.005 219 HD13 LEU 31 HD13 LEU 31 -2.090 -6.920 -4.316 220 HD21 LEU 31 HD21 LEU 31 0.351 -8.233 -6.827 221 HD22 LEU 31 HD22 LEU 31 1.283 -7.292 -5.664 222 HD23 LEU 31 HD23 LEU 31 0.943 -6.628 -7.264 223 H ASP 32 H ASP 32 -5.024 -6.887 -8.050 224 HA ASP 32 HA ASP 32 -4.693 -5.172 -10.401 225 HB2 ASP 32 HB2 ASP 32 -4.818 -7.629 -10.651 226 HB3 ASP 32 HB3 ASP 32 -6.414 -7.617 -9.924 227 H LEU 33 H LEU 33 -6.614 -5.520 -7.655 228 HA LEU 33 HA LEU 33 -9.047 -4.385 -8.730 229 HB2 LEU 33 HB2 LEU 33 -8.262 -4.912 -5.867 230 HB3 LEU 33 HB3 LEU 33 -9.876 -4.605 -6.476 231 HG LEU 33 HG LEU 33 -8.202 -7.055 -7.024 232 HD11 LEU 33 HD11 LEU 33 -9.896 -8.206 -5.715 233 HD12 LEU 33 HD12 LEU 33 -10.680 -6.654 -5.399 234 HD13 LEU 33 HD13 LEU 33 -9.058 -6.965 -4.775 235 HD21 LEU 33 HD21 LEU 33 -9.602 -6.507 -8.946 236 HD22 LEU 33 HD22 LEU 33 -11.013 -6.399 -7.896 237 HD23 LEU 33 HD23 LEU 33 -10.199 -7.949 -8.123 238 H ARG 34 H ARG 34 -9.705 -2.255 -8.336 239 HA ARG 34 HA ARG 34 -7.571 -0.425 -7.659 240 HB2 ARG 34 HB2 ARG 34 -10.493 0.155 -8.192 241 HB3 ARG 34 HB3 ARG 34 -9.231 1.363 -8.015 242 HG2 ARG 34 HG2 ARG 34 -8.128 0.449 -10.029 243 HG3 ARG 34 HG3 ARG 34 -9.480 -0.673 -10.218 244 HD2 ARG 34 HD2 ARG 34 -9.864 1.222 -11.646 245 HD3 ARG 34 HD3 ARG 34 -11.016 1.281 -10.314 246 HE ARG 34 HE ARG 34 -8.615 2.987 -10.565 247 HH11 ARG 34 HH11 ARG 34 -11.866 2.500 -9.172 248 HH12 ARG 34 HH12 ARG 34 -11.955 4.117 -8.611 249 HH21 ARG 34 HH21 ARG 34 -8.797 5.077 -9.818 250 HH22 ARG 34 HH22 ARG 34 -10.178 5.614 -8.933 251 H PHE 35 H PHE 35 -7.382 0.786 -5.813 252 HA PHE 35 HA PHE 35 -8.146 -0.200 -3.360 253 HB2 PHE 35 HB2 PHE 35 -7.525 2.648 -4.118 254 HB3 PHE 35 HB3 PHE 35 -7.773 2.133 -2.458 255 HD1 PHE 35 HD2 PHE 35 -6.159 0.576 -1.407 256 HD2 PHE 35 HD1 PHE 35 -5.513 2.225 -5.269 257 HE1 PHE 35 HE2 PHE 35 -3.800 -0.083 -1.287 258 HE2 PHE 35 HE1 PHE 35 -3.147 1.564 -5.158 259 HZ PHE 35 HZ PHE 35 -2.253 0.579 -3.052 260 H GLU 36 H GLU 36 -9.833 2.211 -5.228 261 HA GLU 36 HA GLU 36 -11.829 2.923 -3.450 262 HB2 GLU 36 HB2 GLU 36 -11.829 2.828 -6.449 263 HB3 GLU 36 HB3 GLU 36 -13.107 3.574 -5.493 264 HG2 GLU 36 HG2 GLU 36 -11.617 5.186 -4.598 265 HG3 GLU 36 HG3 GLU 36 -10.216 4.347 -5.257 266 H ASP 37 H ASP 37 -11.574 -0.031 -5.289 267 HA ASP 37 HA ASP 37 -14.386 -0.660 -5.011 268 HB2 ASP 37 HB2 ASP 37 -13.300 -1.465 -7.011 269 HB3 ASP 37 HB3 ASP 37 -12.056 -2.277 -6.066 270 H ILE 38 H ILE 38 -11.453 -1.219 -3.309 271 HA ILE 38 HA ILE 38 -12.772 -3.214 -1.654 272 HB ILE 38 HB ILE 38 -10.529 -3.557 -0.568 273 HG12 ILE 38 HG12 ILE 38 -9.560 -1.744 -2.797 274 HG13 ILE 38 HG13 ILE 38 -9.596 -1.327 -1.092 275 HG21 ILE 38 HG21 ILE 38 -10.660 -3.920 -3.555 276 HG22 ILE 38 HG22 ILE 38 -11.303 -5.017 -2.332 277 HG23 ILE 38 HG23 ILE 38 -9.560 -4.773 -2.467 278 HD11 ILE 38 HD11 ILE 38 -7.376 -1.890 -1.799 279 HD12 ILE 38 HD12 ILE 38 -7.916 -3.478 -2.367 280 HD13 ILE 38 HD13 ILE 38 -7.959 -3.086 -0.643 281 H GLY 39 H GLY 39 -13.276 -0.297 -1.664 282 HA2 GLY 39 HA2 GLY 39 -14.229 1.040 -0.026 283 HA3 GLY 39 HA3 GLY 39 -13.680 -0.105 1.176 284 H TYR 40 H TYR 40 -11.257 1.105 -0.948 285 HA TYR 40 HA TYR 40 -10.262 2.666 1.283 286 HB2 TYR 40 HB2 TYR 40 -8.888 1.400 -1.057 287 HB3 TYR 40 HB3 TYR 40 -8.073 2.661 -0.149 288 HD1 TYR 40 HD1 TYR 40 -9.969 -0.495 0.466 289 HD2 TYR 40 HD2 TYR 40 -6.724 1.995 1.586 290 HE1 TYR 40 HE1 TYR 40 -9.244 -2.175 2.076 291 HE2 TYR 40 HE2 TYR 40 -5.980 0.333 3.206 292 HH TYR 40 HH TYR 40 -7.285 -2.838 3.322 293 H ASP 41 H ASP 41 -10.623 4.607 1.367 294 HA ASP 41 HA ASP 41 -11.683 6.207 -0.659 295 HB2 ASP 41 HB2 ASP 41 -11.242 8.056 1.073 296 HB3 ASP 41 HB3 ASP 41 -12.328 6.746 1.527 297 H SER 42 H SER 42 -8.780 7.225 1.087 298 HA SER 42 HA SER 42 -6.934 7.290 -1.013 299 HB2 SER 42 HB2 SER 42 -6.952 9.738 -1.512 300 HB3 SER 42 HB3 SER 42 -8.415 8.927 -2.082 301 H LEU 43 H LEU 43 -8.220 9.130 1.683 302 HA LEU 43 HA LEU 43 -5.729 9.957 2.721 303 HB2 LEU 43 HB2 LEU 43 -8.376 9.554 4.114 304 HB3 LEU 43 HB3 LEU 43 -6.983 10.335 4.840 305 HG LEU 43 HG LEU 43 -8.446 11.333 2.398 306 HD11 LEU 43 HD11 LEU 43 -9.794 11.525 4.424 307 HD12 LEU 43 HD12 LEU 43 -9.248 13.109 3.869 308 HD13 LEU 43 HD13 LEU 43 -8.458 12.335 5.243 309 HD21 LEU 43 HD21 LEU 43 -7.069 13.334 2.698 310 HD22 LEU 43 HD22 LEU 43 -6.072 11.909 2.405 311 HD23 LEU 43 HD23 LEU 43 -6.229 12.555 4.040 312 H ALA 44 H ALA 44 -7.833 7.216 3.455 313 HA ALA 44 HA ALA 44 -6.117 5.995 5.336 314 HB1 ALA 44 HB1 ALA 44 -7.375 3.943 4.911 315 HB2 ALA 44 HB2 ALA 44 -8.071 4.662 3.459 316 HB3 ALA 44 HB3 ALA 44 -8.466 5.324 5.047 317 H LEU 45 H LEU 45 -6.177 6.026 1.892 318 HA LEU 45 HA LEU 45 -4.416 3.849 1.378 319 HB2 LEU 45 HB2 LEU 45 -6.063 5.284 -0.172 320 HB3 LEU 45 HB3 LEU 45 -4.611 6.208 -0.393 321 HG LEU 45 HG LEU 45 -4.878 3.376 -1.023 322 HD11 LEU 45 HD11 LEU 45 -5.021 5.821 -2.783 323 HD12 LEU 45 HD12 LEU 45 -6.325 4.686 -2.405 324 HD13 LEU 45 HD13 LEU 45 -4.954 4.154 -3.379 325 HD21 LEU 45 HD21 LEU 45 -2.706 5.348 -1.735 326 HD22 LEU 45 HD22 LEU 45 -2.805 3.693 -2.343 327 HD23 LEU 45 HD23 LEU 45 -2.558 3.987 -0.621 328 H MET 46 H MET 46 -3.998 7.315 1.827 329 HA MET 46 HA MET 46 -1.200 7.459 1.353 330 HB2 MET 46 HB2 MET 46 -2.986 9.247 3.028 331 HB3 MET 46 HB3 MET 46 -1.345 9.645 2.535 332 HG2 MET 46 HG2 MET 46 -1.963 9.654 0.252 333 HG3 MET 46 HG3 MET 46 -3.585 9.078 0.625 334 HE1 MET 46 HE1 MET 46 -4.740 10.969 -0.748 335 HE2 MET 46 HE2 MET 46 -3.152 11.555 -1.247 336 HE3 MET 46 HE3 MET 46 -4.347 12.683 -0.605 337 H GLU 47 H GLU 47 -3.164 6.854 4.127 338 HA GLU 47 HA GLU 47 -1.170 6.838 6.102 339 HB2 GLU 47 HB2 GLU 47 -3.590 7.041 6.434 340 HB3 GLU 47 HB3 GLU 47 -3.796 5.371 5.953 341 HG2 GLU 47 HG2 GLU 47 -2.505 4.617 7.859 342 HG3 GLU 47 HG3 GLU 47 -2.234 6.290 8.351 343 H THR 48 H THR 48 -2.455 4.378 3.930 344 HA THR 48 HA THR 48 -1.137 2.099 4.838 345 HB THR 48 HB THR 48 -1.917 2.992 2.057 346 HG1 THR 48 HG1 THR 48 -3.250 2.096 4.192 347 HG21 THR 48 HG21 THR 48 -0.245 1.220 1.900 348 HG22 THR 48 HG22 THR 48 -1.830 0.614 1.423 349 HG23 THR 48 HG23 THR 48 -1.176 0.221 3.016 350 H ALA 49 H ALA 49 -0.182 4.487 2.397 351 HA ALA 49 HA ALA 49 2.335 3.483 1.774 352 HB1 ALA 49 HB1 ALA 49 2.843 5.731 0.954 353 HB2 ALA 49 HB2 ALA 49 1.443 6.367 1.815 354 HB3 ALA 49 HB3 ALA 49 1.218 5.238 0.479 355 H ALA 50 H ALA 50 1.384 5.875 4.211 356 HA ALA 50 HA ALA 50 3.865 6.495 5.284 357 HB1 ALA 50 HB1 ALA 50 1.805 7.717 5.790 358 HB2 ALA 50 HB2 ALA 50 2.664 7.253 7.258 359 HB3 ALA 50 HB3 ALA 50 1.234 6.353 6.750 360 H ARG 51 H ARG 51 1.784 3.776 5.995 361 HA ARG 51 HA ARG 51 3.240 2.797 8.213 362 HB2 ARG 51 HB2 ARG 51 1.365 1.396 6.301 363 HB3 ARG 51 HB3 ARG 51 2.081 0.601 7.697 364 HG2 ARG 51 HG2 ARG 51 0.541 3.151 8.028 365 HG3 ARG 51 HG3 ARG 51 -0.296 1.609 7.880 366 HD2 ARG 51 HD2 ARG 51 0.158 2.432 10.241 367 HD3 ARG 51 HD3 ARG 51 0.647 0.786 9.879 368 HE ARG 51 HE ARG 51 2.926 1.543 9.824 369 HH11 ARG 51 HH11 ARG 51 0.678 3.935 11.197 370 HH12 ARG 51 HH12 ARG 51 1.860 4.641 12.197 371 HH21 ARG 51 HH21 ARG 51 4.475 2.486 11.175 372 HH22 ARG 51 HH22 ARG 51 4.095 3.856 12.141 373 H LEU 52 H LEU 52 3.400 1.948 4.777 374 HA LEU 52 HA LEU 52 5.521 0.091 5.117 375 HB2 LEU 52 HB2 LEU 52 4.645 1.597 2.649 376 HB3 LEU 52 HB3 LEU 52 5.839 0.309 2.655 377 HG LEU 52 HG LEU 52 2.959 -0.023 3.474 378 HD11 LEU 52 HD11 LEU 52 2.721 -1.255 1.391 379 HD12 LEU 52 HD12 LEU 52 4.388 -0.869 0.970 380 HD13 LEU 52 HD13 LEU 52 3.187 0.421 1.083 381 HD21 LEU 52 HD21 LEU 52 3.483 -2.415 3.418 382 HD22 LEU 52 HD22 LEU 52 4.466 -1.566 4.611 383 HD23 LEU 52 HD23 LEU 52 5.169 -2.040 3.065 384 H GLU 53 H GLU 53 5.432 3.522 4.422 385 HA GLU 53 HA GLU 53 8.144 4.000 3.992 386 HB2 GLU 53 HB2 GLU 53 6.087 5.671 5.376 387 HB3 GLU 53 HB3 GLU 53 7.684 6.272 4.951 388 HG2 GLU 53 HG2 GLU 53 7.155 5.907 2.586 389 HG3 GLU 53 HG3 GLU 53 5.552 5.327 3.047 390 H SER 54 H SER 54 6.303 3.866 6.979 391 HA SER 54 HA SER 54 8.355 4.531 8.737 392 HB2 SER 54 HB2 SER 54 5.889 4.492 9.226 393 HB3 SER 54 HB3 SER 54 5.982 2.736 9.290 394 HG SER 54 HG SER 54 7.606 3.091 11.029 395 H ARG 55 H ARG 55 7.102 1.276 7.874 396 HA ARG 55 HA ARG 55 9.049 -0.077 9.399 397 HB2 ARG 55 HB2 ARG 55 6.931 -1.157 8.732 398 HB3 ARG 55 HB3 ARG 55 7.476 -1.180 7.056 399 HG2 ARG 55 HG2 ARG 55 9.470 -2.517 7.857 400 HG3 ARG 55 HG3 ARG 55 8.633 -2.680 9.391 401 HD2 ARG 55 HD2 ARG 55 7.538 -3.565 6.731 402 HD3 ARG 55 HD3 ARG 55 8.401 -4.612 7.837 403 HE ARG 55 HE ARG 55 6.173 -3.415 9.113 404 HH11 ARG 55 HH11 ARG 55 6.894 -5.805 6.585 405 HH12 ARG 55 HH12 ARG 55 5.675 -6.904 7.027 406 HH21 ARG 55 HH21 ARG 55 4.447 -4.923 9.763 407 HH22 ARG 55 HH22 ARG 55 4.327 -6.417 8.950 408 H TYR 56 H TYR 56 9.018 0.726 5.911 409 HA TYR 56 HA TYR 56 11.521 -0.740 5.683 410 HB2 TYR 56 HB2 TYR 56 9.669 0.212 3.509 411 HB3 TYR 56 HB3 TYR 56 11.174 -0.666 3.232 412 HD1 TYR 56 HD2 TYR 56 11.416 -2.913 4.519 413 HD2 TYR 56 HD1 TYR 56 7.693 -0.999 3.788 414 HE1 TYR 56 HE2 TYR 56 10.261 -5.034 4.927 415 HE2 TYR 56 HE1 TYR 56 6.516 -3.102 4.207 416 HH TYR 56 HH TYR 56 7.167 -5.715 4.133 417 H GLY 57 H GLY 57 10.616 2.509 5.894 418 HA2 GLY 57 HA2 GLY 57 12.118 4.280 6.054 419 HA3 GLY 57 HA3 GLY 57 13.386 3.228 5.442 420 H VAL 58 H VAL 58 10.351 3.618 3.858 421 HA VAL 58 HA VAL 58 11.721 4.843 1.586 422 HB VAL 58 HB VAL 58 9.926 4.082 0.145 423 HG11 VAL 58 HG11 VAL 58 11.627 2.434 0.640 424 HG12 VAL 58 HG12 VAL 58 10.042 1.660 0.435 425 HG13 VAL 58 HG13 VAL 58 10.697 1.917 2.052 426 HG21 VAL 58 HG21 VAL 58 8.536 3.073 2.629 427 HG22 VAL 58 HG22 VAL 58 8.000 2.809 0.969 428 HG23 VAL 58 HG23 VAL 58 8.027 4.441 1.640 429 H SER 59 H SER 59 10.038 6.315 0.242 430 HA SER 59 HA SER 59 8.450 7.869 2.105 431 HB2 SER 59 HB2 SER 59 10.689 8.941 1.962 432 HB3 SER 59 HB3 SER 59 10.516 9.038 0.214 433 HG SER 59 HG SER 59 8.692 10.243 2.038 434 H ILE 60 H ILE 60 6.526 8.132 1.270 435 HA ILE 60 HA ILE 60 6.182 8.032 -1.655 436 HB ILE 60 HB ILE 60 4.224 6.990 0.425 437 HG12 ILE 60 HG12 ILE 60 6.160 5.476 0.240 438 HG13 ILE 60 HG13 ILE 60 4.703 4.727 -0.401 439 HG21 ILE 60 HG21 ILE 60 3.098 7.870 -1.530 440 HG22 ILE 60 HG22 ILE 60 2.955 6.112 -1.490 441 HG23 ILE 60 HG23 ILE 60 4.104 6.877 -2.588 442 HD11 ILE 60 HD11 ILE 60 6.641 4.233 -1.785 443 HD12 ILE 60 HD12 ILE 60 6.932 5.959 -2.015 444 HD13 ILE 60 HD13 ILE 60 5.478 5.215 -2.678 445 HA PRO 61 HA PRO 61 4.611 12.130 -0.591 446 HB2 PRO 61 HB2 PRO 61 4.044 12.127 -3.505 447 HB3 PRO 61 HB3 PRO 61 4.949 13.298 -2.539 448 HG2 PRO 61 HG2 PRO 61 6.210 11.629 -4.184 449 HG3 PRO 61 HG3 PRO 61 6.896 12.046 -2.603 450 HD2 PRO 61 HD2 PRO 61 5.439 9.575 -3.444 451 HD3 PRO 61 HD3 PRO 61 6.881 9.737 -2.418 452 H ASP 62 H ASP 62 2.601 12.853 -0.241 453 HA ASP 62 HA ASP 62 0.373 11.206 -0.092 454 HB2 ASP 62 HB2 ASP 62 0.482 14.220 -0.252 455 HB3 ASP 62 HB3 ASP 62 -0.986 13.324 0.085 456 H ASP 63 H ASP 63 1.348 13.333 -2.679 457 HA ASP 63 HA ASP 63 -1.088 13.190 -4.140 458 HB2 ASP 63 HB2 ASP 63 1.693 14.000 -4.936 459 HB3 ASP 63 HB3 ASP 63 0.367 13.968 -6.088 460 H VAL 64 H VAL 64 1.801 11.270 -4.120 461 HA VAL 64 HA VAL 64 1.067 9.760 -6.498 462 HB VAL 64 HB VAL 64 3.074 9.036 -4.371 463 HG11 VAL 64 HG11 VAL 64 2.813 8.245 -7.285 464 HG12 VAL 64 HG12 VAL 64 2.479 7.212 -5.899 465 HG13 VAL 64 HG13 VAL 64 4.133 7.743 -6.225 466 HG21 VAL 64 HG21 VAL 64 4.796 10.073 -5.813 467 HG22 VAL 64 HG22 VAL 64 3.621 11.244 -5.212 468 HG23 VAL 64 HG23 VAL 64 3.518 10.669 -6.875 469 H ALA 65 H ALA 65 0.932 9.365 -3.031 470 HA ALA 65 HA ALA 65 -0.140 6.790 -2.955 471 HB1 ALA 65 HB1 ALA 65 -0.559 9.117 -1.097 472 HB2 ALA 65 HB2 ALA 65 0.693 7.880 -0.963 473 HB3 ALA 65 HB3 ALA 65 -1.006 7.450 -0.724 474 H GLY 66 H GLY 66 -1.674 9.917 -3.500 475 HA2 GLY 66 HA2 GLY 66 -4.279 8.615 -3.803 476 HA3 GLY 66 HA3 GLY 66 -3.980 10.348 -3.811 477 H ARG 67 H ARG 67 -2.058 8.149 -5.659 478 HA ARG 67 HA ARG 67 -3.401 8.951 -8.159 479 HB2 ARG 67 HB2 ARG 67 -1.416 10.359 -7.828 480 HB3 ARG 67 HB3 ARG 67 -0.420 8.931 -7.628 481 HG2 ARG 67 HG2 ARG 67 -0.148 10.008 -9.818 482 HG3 ARG 67 HG3 ARG 67 -0.730 8.349 -9.951 483 HD2 ARG 67 HD2 ARG 67 -1.868 9.888 -11.479 484 HD3 ARG 67 HD3 ARG 67 -2.965 9.120 -10.331 485 HE ARG 67 HE ARG 67 -2.119 11.589 -9.299 486 HH11 ARG 67 HH11 ARG 67 -4.080 10.466 -12.059 487 HH12 ARG 67 HH12 ARG 67 -5.193 11.760 -11.914 488 HH21 ARG 67 HH21 ARG 67 -3.714 13.326 -9.166 489 HH22 ARG 67 HH22 ARG 67 -4.979 13.361 -10.330 490 H VAL 68 H VAL 68 -1.945 6.531 -6.270 491 HA VAL 68 HA VAL 68 -1.694 4.653 -8.424 492 HB VAL 68 HB VAL 68 -1.214 3.007 -6.490 493 HG11 VAL 68 HG11 VAL 68 1.049 3.913 -6.173 494 HG12 VAL 68 HG12 VAL 68 0.511 5.464 -6.818 495 HG13 VAL 68 HG13 VAL 68 0.531 4.035 -7.854 496 HG21 VAL 68 HG21 VAL 68 -1.082 5.601 -4.951 497 HG22 VAL 68 HG22 VAL 68 -0.576 4.022 -4.354 498 HG23 VAL 68 HG23 VAL 68 -2.286 4.334 -4.690 499 H ASP 69 H ASP 69 -3.356 3.689 -9.278 500 HA ASP 69 HA ASP 69 -5.946 3.608 -7.952 501 HB2 ASP 69 HB2 ASP 69 -5.013 2.646 -10.663 502 HB3 ASP 69 HB3 ASP 69 -6.641 2.377 -10.070 503 H THR 70 H THR 70 -3.587 1.275 -9.158 504 HA THR 70 HA THR 70 -4.980 -0.798 -7.699 505 HB THR 70 HB THR 70 -3.444 -2.279 -9.084 506 HG1 THR 70 HG1 THR 70 -2.379 -1.281 -10.826 507 HG21 THR 70 HG21 THR 70 -5.359 -0.448 -10.539 508 HG22 THR 70 HG22 THR 70 -5.797 -1.927 -9.682 509 HG23 THR 70 HG23 THR 70 -4.800 -2.013 -11.136 510 HA PRO 71 HA PRO 71 -1.821 -0.767 -4.553 511 HB2 PRO 71 HB2 PRO 71 -2.217 -3.724 -4.549 512 HB3 PRO 71 HB3 PRO 71 -2.314 -2.570 -3.217 513 HG2 PRO 71 HG2 PRO 71 -4.534 -3.578 -4.233 514 HG3 PRO 71 HG3 PRO 71 -4.449 -1.866 -3.783 515 HD2 PRO 71 HD2 PRO 71 -4.267 -3.122 -6.491 516 HD3 PRO 71 HD3 PRO 71 -5.139 -1.660 -5.980 517 H ARG 72 H ARG 72 -1.738 -2.908 -7.281 518 HA ARG 72 HA ARG 72 0.834 -3.944 -7.172 519 HB2 ARG 72 HB2 ARG 72 -1.021 -4.462 -8.827 520 HB3 ARG 72 HB3 ARG 72 -0.551 -3.002 -9.682 521 HG2 ARG 72 HG2 ARG 72 1.602 -3.924 -10.180 522 HG3 ARG 72 HG3 ARG 72 1.272 -5.341 -9.173 523 HD2 ARG 72 HD2 ARG 72 -0.666 -5.847 -10.653 524 HD3 ARG 72 HD3 ARG 72 -0.146 -4.534 -11.705 525 HE ARG 72 HE ARG 72 2.011 -6.225 -11.314 526 HH11 ARG 72 HH11 ARG 72 -1.211 -6.467 -12.739 527 HH12 ARG 72 HH12 ARG 72 -0.765 -7.565 -13.970 528 HH21 ARG 72 HH21 ARG 72 2.659 -7.703 -13.041 529 HH22 ARG 72 HH22 ARG 72 1.496 -8.280 -14.145 530 H GLU 73 H GLU 73 -0.291 -0.799 -8.365 531 HA GLU 73 HA GLU 73 2.184 0.184 -9.278 532 HB2 GLU 73 HB2 GLU 73 -0.297 1.613 -8.323 533 HB3 GLU 73 HB3 GLU 73 1.070 2.412 -9.082 534 HG2 GLU 73 HG2 GLU 73 -0.548 0.241 -10.380 535 HG3 GLU 73 HG3 GLU 73 -0.844 1.965 -10.592 536 H LEU 74 H LEU 74 0.573 0.301 -6.157 537 HA LEU 74 HA LEU 74 2.424 2.096 -4.928 538 HB2 LEU 74 HB2 LEU 74 -0.002 1.482 -4.211 539 HB3 LEU 74 HB3 LEU 74 0.701 0.056 -3.490 540 HG LEU 74 HG LEU 74 1.355 2.902 -2.670 541 HD11 LEU 74 HD11 LEU 74 -0.455 0.879 -1.378 542 HD12 LEU 74 HD12 LEU 74 -0.951 2.365 -2.187 543 HD13 LEU 74 HD13 LEU 74 -0.007 2.445 -0.698 544 HD21 LEU 74 HD21 LEU 74 1.987 0.278 -1.315 545 HD22 LEU 74 HD22 LEU 74 2.342 1.885 -0.677 546 HD23 LEU 74 HD23 LEU 74 3.153 1.315 -2.135 547 H LEU 75 H LEU 75 2.076 -1.394 -5.132 548 HA LEU 75 HA LEU 75 4.191 -2.291 -3.567 549 HB2 LEU 75 HB2 LEU 75 2.498 -3.728 -4.679 550 HB3 LEU 75 HB3 LEU 75 3.238 -3.382 -6.224 551 HG LEU 75 HG LEU 75 5.329 -4.482 -5.365 552 HD11 LEU 75 HD11 LEU 75 5.107 -5.964 -3.451 553 HD12 LEU 75 HD12 LEU 75 3.486 -5.331 -3.153 554 HD13 LEU 75 HD13 LEU 75 4.889 -4.274 -3.002 555 HD21 LEU 75 HD21 LEU 75 2.837 -6.171 -5.466 556 HD22 LEU 75 HD22 LEU 75 4.488 -6.746 -5.696 557 HD23 LEU 75 HD23 LEU 75 3.774 -5.631 -6.858 558 H ASP 76 H ASP 76 4.114 -1.469 -7.001 559 HA ASP 76 HA ASP 76 6.805 -1.753 -7.641 560 HB2 ASP 76 HB2 ASP 76 5.207 -1.523 -9.400 561 HB3 ASP 76 HB3 ASP 76 4.682 0.046 -8.801 562 H LEU 77 H LEU 77 5.111 1.040 -6.330 563 HA LEU 77 HA LEU 77 7.178 2.936 -6.474 564 HB2 LEU 77 HB2 LEU 77 5.030 2.628 -4.386 565 HB3 LEU 77 HB3 LEU 77 6.058 4.033 -4.540 566 HG LEU 77 HG LEU 77 4.053 3.093 -6.581 567 HD11 LEU 77 HD11 LEU 77 4.011 5.383 -4.627 568 HD12 LEU 77 HD12 LEU 77 3.025 3.923 -4.540 569 HD13 LEU 77 HD13 LEU 77 2.797 5.065 -5.865 570 HD21 LEU 77 HD21 LEU 77 5.744 5.594 -6.457 571 HD22 LEU 77 HD22 LEU 77 4.495 5.246 -7.655 572 HD23 LEU 77 HD23 LEU 77 5.953 4.259 -7.593 573 H ILE 78 H ILE 78 6.239 0.817 -3.800 574 HA ILE 78 HA ILE 78 8.331 1.557 -2.064 575 HB ILE 78 HB ILE 78 6.959 -1.146 -2.129 576 HG12 ILE 78 HG12 ILE 78 5.280 0.647 -2.047 577 HG13 ILE 78 HG13 ILE 78 5.350 -0.219 -0.520 578 HG21 ILE 78 HG21 ILE 78 8.332 0.353 0.114 579 HG22 ILE 78 HG22 ILE 78 8.949 -1.077 -0.713 580 HG23 ILE 78 HG23 ILE 78 7.498 -1.193 0.280 581 HD11 ILE 78 HD11 ILE 78 5.097 2.161 -0.171 582 HD12 ILE 78 HD12 ILE 78 6.570 2.474 -1.090 583 HD13 ILE 78 HD13 ILE 78 6.653 1.608 0.445 584 H ASN 79 H ASN 79 8.011 -1.151 -4.343 585 HA ASN 79 HA ASN 79 10.487 -2.376 -3.761 586 HB2 ASN 79 HB2 ASN 79 8.796 -2.470 -6.265 587 HB3 ASN 79 HB3 ASN 79 10.315 -3.336 -6.142 588 HD21 ASN 79 HD21 ASN 79 8.086 -3.028 -3.427 589 HD22 ASN 79 HD22 ASN 79 7.561 -4.683 -3.468 590 H GLY 80 H GLY 80 9.681 0.221 -5.995 591 HA2 GLY 80 HA2 GLY 80 12.231 0.411 -7.216 592 HA3 GLY 80 HA3 GLY 80 11.009 1.676 -7.158 593 H ALA 81 H ALA 81 10.792 1.961 -4.404 594 HA ALA 81 HA ALA 81 12.946 3.737 -3.865 595 HB1 ALA 81 HB1 ALA 81 10.841 2.647 -1.998 596 HB2 ALA 81 HB2 ALA 81 10.688 4.090 -3.000 597 HB3 ALA 81 HB3 ALA 81 11.872 4.043 -1.694 598 H LEU 82 H LEU 82 12.141 0.514 -2.848 599 HA LEU 82 HA LEU 82 14.190 0.080 -0.952 600 HB2 LEU 82 HB2 LEU 82 12.820 -1.867 -2.813 601 HB3 LEU 82 HB3 LEU 82 13.821 -2.322 -1.451 602 HG LEU 82 HG LEU 82 11.247 -0.768 -1.221 603 HD11 LEU 82 HD11 LEU 82 10.284 -2.845 -0.396 604 HD12 LEU 82 HD12 LEU 82 11.791 -3.689 -0.753 605 HD13 LEU 82 HD13 LEU 82 10.831 -3.003 -2.066 606 HD21 LEU 82 HD21 LEU 82 12.822 -0.381 0.582 607 HD22 LEU 82 HD22 LEU 82 12.975 -2.119 0.842 608 HD23 LEU 82 HD23 LEU 82 11.434 -1.308 1.152 609 H ALA 83 H ALA 83 13.973 -0.398 -4.417 610 HA ALA 83 HA ALA 83 16.526 -1.490 -4.842 611 HB1 ALA 83 HB1 ALA 83 14.861 0.152 -6.758 612 HB2 ALA 83 HB2 ALA 83 14.741 -1.591 -6.532 613 HB3 ALA 83 HB3 ALA 83 16.218 -0.887 -7.192 614 H GLU 84 H GLU 84 15.369 1.834 -4.737 615 HA GLU 84 HA GLU 84 17.771 3.113 -5.415 616 HB2 GLU 84 HB2 GLU 84 15.645 4.092 -3.483 617 HB3 GLU 84 HB3 GLU 84 16.894 5.080 -4.215 618 HG2 GLU 84 HG2 GLU 84 15.891 4.640 -6.419 619 HG3 GLU 84 HG3 GLU 84 14.611 3.718 -5.622 620 H ALA 85 H ALA 85 16.443 2.974 -2.124 621 HA ALA 85 HA ALA 85 18.627 1.828 -0.837 622 HB1 ALA 85 HB1 ALA 85 19.850 3.879 -1.465 623 HB2 ALA 85 HB2 ALA 85 19.620 3.785 0.280 624 HB3 ALA 85 HB3 ALA 85 18.606 4.856 -0.686 625 H ALA 86 H ALA 86 17.292 0.854 0.500 626 HA ALA 86 HA ALA 86 15.992 2.335 2.556 627 HB1 ALA 86 HB1 ALA 86 13.784 1.289 2.194 628 HB2 ALA 86 HB2 ALA 86 14.368 0.588 0.685 629 HB3 ALA 86 HB3 ALA 86 14.221 2.337 0.844 630 H28 SXA 87 H28A SXA 87 -8.679 13.963 -1.896 631 H28A SXA 87 H28B SXA 87 -9.985 14.076 -0.717 632 H30 SXA 87 H30A SXA 87 -8.357 13.938 1.757 633 H30A SXA 87 H30B SXA 87 -9.645 15.100 1.431 634 H30B SXA 87 H30C SXA 87 -8.054 15.665 1.940 635 H31 SXA 87 H31A SXA 87 -6.093 15.498 0.347 636 H31A SXA 87 H31B SXA 87 -6.338 14.758 -1.236 637 H31B SXA 87 H31C SXA 87 -6.402 13.764 0.220 638 H32 SXA 87 H32A SXA 87 -9.538 16.636 -0.573 639 HO33 SXA 87 H33A SXA 87 -7.434 17.032 -2.178 640 HN36 SXA 87 H36A SXA 87 -8.697 17.562 1.599 641 H37 SXA 87 H37A SXA 87 -6.258 18.704 2.166 642 H37A SXA 87 H37B SXA 87 -7.010 19.826 1.059 643 H38 SXA 87 H38A SXA 87 -7.461 20.634 3.179 644 H38A SXA 87 H38B SXA 87 -8.992 19.964 2.582 645 HN41 SXA 87 H41A SXA 87 -6.767 17.562 3.557 646 H42 SXA 87 H42A SXA 87 -6.467 17.254 6.112 647 H42A SXA 87 H42B SXA 87 -8.221 17.132 6.044 648 H43 SXA 87 H43A SXA 87 -6.270 15.322 4.630 649 H43A SXA 87 H43B SXA 87 -8.029 15.258 4.479 650 H2 SXA 87 H2C SXA 87 -9.688 14.835 9.037 651 H2A SXA 87 H2A SXA 87 -8.530 13.550 8.678 652 H2B SXA 87 H2B SXA 87 -10.189 13.437 8.078 Start of MODEL 15 1 H1 MET 1 H1 MET 1 21.386 -6.268 -2.069 2 H2 MET 1 H2 MET 1 21.777 -7.909 -2.249 3 H3 MET 1 H3 MET 1 21.367 -7.267 -0.723 4 HA MET 1 HA MET 1 19.526 -7.344 -3.013 5 HB2 MET 1 HB2 MET 1 19.589 -8.972 -0.454 6 HB3 MET 1 HB3 MET 1 18.230 -8.920 -1.563 7 HG2 MET 1 HG2 MET 1 20.980 -9.965 -2.182 8 HG3 MET 1 HG3 MET 1 19.557 -10.940 -1.829 9 HE1 MET 1 HE1 MET 1 21.335 -11.414 -4.397 10 HE2 MET 1 HE2 MET 1 20.096 -11.621 -5.634 11 HE3 MET 1 HE3 MET 1 19.876 -12.338 -4.038 12 H ALA 2 H ALA 2 17.423 -6.667 -2.385 13 HA ALA 2 HA ALA 2 17.290 -5.042 0.046 14 HB1 ALA 2 HB1 ALA 2 16.062 -3.323 -1.228 15 HB2 ALA 2 HB2 ALA 2 16.361 -4.228 -2.713 16 HB3 ALA 2 HB3 ALA 2 17.709 -3.518 -1.824 17 H THR 3 H THR 3 15.119 -4.921 0.861 18 HA THR 3 HA THR 3 13.691 -7.344 0.276 19 HB THR 3 HB THR 3 12.991 -5.048 2.130 20 HG1 THR 3 HG1 THR 3 15.044 -6.559 2.307 21 HG21 THR 3 HG21 THR 3 11.083 -6.518 1.614 22 HG22 THR 3 HG22 THR 3 11.611 -6.732 3.285 23 HG23 THR 3 HG23 THR 3 12.046 -7.927 2.064 24 H LEU 4 H LEU 4 12.632 -7.288 -1.614 25 HA LEU 4 HA LEU 4 11.060 -4.954 -2.333 26 HB2 LEU 4 HB2 LEU 4 11.435 -7.591 -3.772 27 HB3 LEU 4 HB3 LEU 4 10.572 -6.205 -4.405 28 HG LEU 4 HG LEU 4 13.535 -6.347 -3.847 29 HD11 LEU 4 HD11 LEU 4 12.000 -6.230 -6.433 30 HD12 LEU 4 HD12 LEU 4 12.872 -7.627 -5.796 31 HD13 LEU 4 HD13 LEU 4 13.755 -6.176 -6.273 32 HD21 LEU 4 HD21 LEU 4 13.645 -4.136 -4.907 33 HD22 LEU 4 HD22 LEU 4 12.672 -4.099 -3.436 34 HD23 LEU 4 HD23 LEU 4 11.885 -4.099 -5.012 35 H LEU 5 H LEU 5 9.156 -4.796 -1.471 36 HA LEU 5 HA LEU 5 8.017 -6.907 0.011 37 HB2 LEU 5 HB2 LEU 5 6.741 -4.323 -0.819 38 HB3 LEU 5 HB3 LEU 5 6.102 -5.440 0.367 39 HG LEU 5 HG LEU 5 8.499 -3.664 0.574 40 HD11 LEU 5 HD11 LEU 5 7.362 -2.884 2.558 41 HD12 LEU 5 HD12 LEU 5 6.094 -4.081 2.315 42 HD13 LEU 5 HD13 LEU 5 6.299 -2.777 1.151 43 HD21 LEU 5 HD21 LEU 5 9.019 -4.742 2.708 44 HD22 LEU 5 HD22 LEU 5 9.198 -5.869 1.363 45 HD23 LEU 5 HD23 LEU 5 7.774 -5.953 2.402 46 H THR 6 H THR 6 6.328 -8.138 -0.298 47 HA THR 6 HA THR 6 5.450 -8.355 -3.056 48 HB THR 6 HB THR 6 4.937 -10.755 -2.426 49 HG1 THR 6 HG1 THR 6 6.172 -9.878 -0.010 50 HG21 THR 6 HG21 THR 6 7.820 -9.851 -2.237 51 HG22 THR 6 HG22 THR 6 6.928 -10.156 -3.730 52 HG23 THR 6 HG23 THR 6 7.282 -11.485 -2.625 53 H THR 7 H THR 7 3.264 -9.984 -2.783 54 HA THR 7 HA THR 7 1.137 -8.377 -2.438 55 HB THR 7 HB THR 7 1.284 -11.341 -1.968 56 HG1 THR 7 HG1 THR 7 0.954 -11.190 -4.427 57 HG21 THR 7 HG21 THR 7 -0.872 -9.569 -3.171 58 HG22 THR 7 HG22 THR 7 -0.939 -10.329 -1.580 59 HG23 THR 7 HG23 THR 7 -0.946 -11.324 -3.026 60 H ASP 8 H ASP 8 2.290 -10.846 -0.057 61 HA ASP 8 HA ASP 8 0.304 -10.180 1.819 62 HB2 ASP 8 HB2 ASP 8 1.263 -12.378 1.872 63 HB3 ASP 8 HB3 ASP 8 2.868 -11.716 2.159 64 H ASP 9 H ASP 9 3.474 -8.861 1.285 65 HA ASP 9 HA ASP 9 3.793 -7.645 3.849 66 HB2 ASP 9 HB2 ASP 9 4.864 -6.746 1.167 67 HB3 ASP 9 HB3 ASP 9 5.337 -6.041 2.699 68 H LEU 10 H LEU 10 2.450 -6.573 0.802 69 HA LEU 10 HA LEU 10 1.674 -3.996 1.717 70 HB2 LEU 10 HB2 LEU 10 2.059 -4.616 -0.656 71 HB3 LEU 10 HB3 LEU 10 0.626 -5.618 -0.602 72 HG LEU 10 HG LEU 10 -0.748 -3.606 -0.216 73 HD11 LEU 10 HD11 LEU 10 0.935 -2.216 0.877 74 HD12 LEU 10 HD12 LEU 10 0.246 -1.397 -0.524 75 HD13 LEU 10 HD13 LEU 10 1.849 -2.124 -0.629 76 HD21 LEU 10 HD21 LEU 10 -0.519 -2.698 -2.470 77 HD22 LEU 10 HD22 LEU 10 -0.406 -4.456 -2.464 78 HD23 LEU 10 HD23 LEU 10 1.054 -3.480 -2.625 79 H ARG 11 H ARG 11 0.079 -7.099 1.388 80 HA ARG 11 HA ARG 11 -2.528 -6.585 2.129 81 HB2 ARG 11 HB2 ARG 11 -1.746 -8.754 1.402 82 HB3 ARG 11 HB3 ARG 11 -0.727 -8.901 2.816 83 HG2 ARG 11 HG2 ARG 11 -2.777 -8.982 4.209 84 HG3 ARG 11 HG3 ARG 11 -3.728 -8.990 2.715 85 HD2 ARG 11 HD2 ARG 11 -2.614 -10.997 1.972 86 HD3 ARG 11 HD3 ARG 11 -1.570 -10.975 3.385 87 HE ARG 11 HE ARG 11 -4.468 -11.237 3.690 88 HH11 ARG 11 HH11 ARG 11 -1.187 -12.501 4.200 89 HH12 ARG 11 HH12 ARG 11 -1.684 -13.907 4.976 90 HH21 ARG 11 HH21 ARG 11 -5.172 -13.166 4.790 91 HH22 ARG 11 HH22 ARG 11 -4.046 -14.326 5.342 92 H ARG 12 H ARG 12 0.218 -7.340 4.243 93 HA ARG 12 HA ARG 12 -1.017 -7.110 6.733 94 HB2 ARG 12 HB2 ARG 12 1.846 -6.508 5.973 95 HB3 ARG 12 HB3 ARG 12 1.276 -6.669 7.631 96 HG2 ARG 12 HG2 ARG 12 0.680 -8.999 7.186 97 HG3 ARG 12 HG3 ARG 12 1.237 -8.821 5.521 98 HD2 ARG 12 HD2 ARG 12 3.486 -8.245 6.378 99 HD3 ARG 12 HD3 ARG 12 2.910 -8.548 8.015 100 HE ARG 12 HE ARG 12 2.751 -10.689 6.012 101 HH11 ARG 12 HH11 ARG 12 4.109 -9.500 9.093 102 HH12 ARG 12 HH12 ARG 12 4.971 -10.961 9.364 103 HH21 ARG 12 HH21 ARG 12 3.964 -12.677 6.506 104 HH22 ARG 12 HH22 ARG 12 4.872 -12.711 7.955 105 H ALA 13 H ALA 13 0.257 -4.632 4.623 106 HA ALA 13 HA ALA 13 0.091 -2.526 6.531 107 HB1 ALA 13 HB1 ALA 13 0.191 -2.359 3.516 108 HB2 ALA 13 HB2 ALA 13 1.588 -2.381 4.593 109 HB3 ALA 13 HB3 ALA 13 0.460 -1.025 4.639 110 H LEU 14 H LEU 14 -1.985 -3.635 3.882 111 HA LEU 14 HA LEU 14 -3.929 -1.617 4.228 112 HB2 LEU 14 HB2 LEU 14 -3.911 -4.174 2.708 113 HB3 LEU 14 HB3 LEU 14 -5.459 -3.428 3.025 114 HG LEU 14 HG LEU 14 -4.607 -1.357 1.892 115 HD11 LEU 14 HD11 LEU 14 -2.715 -1.511 0.413 116 HD12 LEU 14 HD12 LEU 14 -2.335 -3.119 1.037 117 HD13 LEU 14 HD13 LEU 14 -2.230 -1.708 2.096 118 HD21 LEU 14 HD21 LEU 14 -4.680 -3.875 0.255 119 HD22 LEU 14 HD22 LEU 14 -4.873 -2.235 -0.364 120 HD23 LEU 14 HD23 LEU 14 -6.064 -2.901 0.752 121 H VAL 15 H VAL 15 -3.455 -4.527 5.948 122 HA VAL 15 HA VAL 15 -6.029 -4.782 7.092 123 HB VAL 15 HB VAL 15 -3.337 -5.399 8.386 124 HG11 VAL 15 HG11 VAL 15 -4.598 -6.924 9.848 125 HG12 VAL 15 HG12 VAL 15 -6.104 -6.382 9.108 126 HG13 VAL 15 HG13 VAL 15 -5.126 -5.252 10.047 127 HG21 VAL 15 HG21 VAL 15 -3.660 -6.628 6.304 128 HG22 VAL 15 HG22 VAL 15 -5.230 -7.199 6.871 129 HG23 VAL 15 HG23 VAL 15 -3.756 -7.716 7.689 130 H GLU 16 H GLU 16 -3.126 -3.271 8.515 131 HA GLU 16 HA GLU 16 -4.537 -2.003 10.624 132 HB2 GLU 16 HB2 GLU 16 -1.829 -1.267 9.522 133 HB3 GLU 16 HB3 GLU 16 -2.470 -0.839 11.097 134 HG2 GLU 16 HG2 GLU 16 -2.505 -3.251 11.673 135 HG3 GLU 16 HG3 GLU 16 -1.720 -3.583 10.127 136 H SER 17 H SER 17 -3.883 -1.079 7.353 137 HA SER 17 HA SER 17 -4.045 1.733 7.794 138 HB2 SER 17 HB2 SER 17 -2.757 0.618 5.942 139 HB3 SER 17 HB3 SER 17 -4.299 0.254 5.175 140 HG SER 17 HG SER 17 -4.685 2.552 5.177 141 H ALA 18 H ALA 18 -6.349 -0.771 6.802 142 HA ALA 18 HA ALA 18 -8.400 1.091 6.111 143 HB1 ALA 18 HB1 ALA 18 -8.619 -1.844 6.800 144 HB2 ALA 18 HB2 ALA 18 -8.352 -1.185 5.188 145 HB3 ALA 18 HB3 ALA 18 -9.868 -0.867 6.029 146 H GLY 19 H GLY 19 -7.326 -0.455 8.979 147 HA2 GLY 19 HA2 GLY 19 -7.921 0.783 11.054 148 HA3 GLY 19 HA3 GLY 19 -9.593 0.656 10.491 149 H GLU 20 H GLU 20 -9.688 -1.785 9.482 150 HA GLU 20 HA GLU 20 -8.648 -3.654 11.390 151 HB2 GLU 20 HB2 GLU 20 -10.834 -4.736 11.746 152 HB3 GLU 20 HB3 GLU 20 -10.843 -3.094 12.350 153 HG2 GLU 20 HG2 GLU 20 -12.034 -3.960 9.722 154 HG3 GLU 20 HG3 GLU 20 -12.933 -3.811 11.224 155 H THR 21 H THR 21 -9.358 -5.932 10.565 156 HA THR 21 HA THR 21 -8.375 -6.078 7.915 157 HB THR 21 HB THR 21 -7.714 -7.803 9.460 158 HG1 THR 21 HG1 THR 21 -8.104 -9.636 8.241 159 HG21 THR 21 HG21 THR 21 -9.665 -7.892 10.933 160 HG22 THR 21 HG22 THR 21 -9.278 -9.511 10.352 161 HG23 THR 21 HG23 THR 21 -10.627 -8.620 9.647 162 H ASP 22 H ASP 22 -9.893 -4.789 6.915 163 HA ASP 22 HA ASP 22 -12.572 -5.126 6.386 164 HB2 ASP 22 HB2 ASP 22 -11.191 -3.275 5.490 165 HB3 ASP 22 HB3 ASP 22 -10.420 -4.395 4.375 166 H GLY 23 H GLY 23 -10.026 -6.368 4.267 167 HA2 GLY 23 HA2 GLY 23 -9.721 -8.363 3.226 168 HA3 GLY 23 HA3 GLY 23 -10.801 -9.049 4.421 169 H THR 24 H THR 24 -11.192 -6.822 1.662 170 HA THR 24 HA THR 24 -13.467 -8.432 0.871 171 HB THR 24 HB THR 24 -13.782 -5.980 0.859 172 HG1 THR 24 HG1 THR 24 -14.051 -6.020 -1.750 173 HG21 THR 24 HG21 THR 24 -11.528 -5.212 0.334 174 HG22 THR 24 HG22 THR 24 -12.682 -4.522 -0.806 175 HG23 THR 24 HG23 THR 24 -11.662 -5.874 -1.296 176 H ASP 25 H ASP 25 -11.961 -10.167 0.648 177 HA ASP 25 HA ASP 25 -10.568 -11.604 -0.294 178 HB2 ASP 25 HB2 ASP 25 -12.324 -11.534 -2.153 179 HB3 ASP 25 HB3 ASP 25 -11.288 -10.388 -2.994 180 H LEU 26 H LEU 26 -9.070 -10.458 0.838 181 HA LEU 26 HA LEU 26 -7.289 -8.649 -0.676 182 HB2 LEU 26 HB2 LEU 26 -8.583 -7.760 1.291 183 HB3 LEU 26 HB3 LEU 26 -7.698 -8.873 2.307 184 HG LEU 26 HG LEU 26 -5.594 -7.681 1.676 185 HD11 LEU 26 HD11 LEU 26 -7.516 -5.754 0.392 186 HD12 LEU 26 HD12 LEU 26 -6.335 -6.763 -0.446 187 HD13 LEU 26 HD13 LEU 26 -5.792 -5.480 0.636 188 HD21 LEU 26 HD21 LEU 26 -6.026 -5.722 3.070 189 HD22 LEU 26 HD22 LEU 26 -6.785 -7.160 3.760 190 HD23 LEU 26 HD23 LEU 26 -7.759 -5.971 2.890 191 H SER 27 H SER 27 -7.524 -11.716 0.603 192 HA SER 27 HA SER 27 -4.675 -11.908 1.183 193 HB2 SER 27 HB2 SER 27 -6.887 -13.923 1.615 194 HB3 SER 27 HB3 SER 27 -5.202 -14.056 2.154 195 HG SER 27 HG SER 27 -7.272 -12.785 3.373 196 H GLY 28 H GLY 28 -3.377 -13.510 0.085 197 HA2 GLY 28 HA2 GLY 28 -2.983 -15.089 -1.580 198 HA3 GLY 28 HA3 GLY 28 -4.582 -14.772 -2.253 199 H ASP 29 H ASP 29 -4.913 -12.566 -3.085 200 HA ASP 29 HA ASP 29 -2.675 -10.970 -3.819 201 HB2 ASP 29 HB2 ASP 29 -2.773 -12.886 -5.598 202 HB3 ASP 29 HB3 ASP 29 -4.263 -12.120 -6.131 203 H PHE 30 H PHE 30 -3.468 -9.024 -4.724 204 HA PHE 30 HA PHE 30 -6.300 -8.555 -4.975 205 HB2 PHE 30 HB2 PHE 30 -6.436 -6.887 -3.134 206 HB3 PHE 30 HB3 PHE 30 -6.136 -8.513 -2.536 207 HD1 PHE 30 HD2 PHE 30 -3.859 -9.117 -1.724 208 HD2 PHE 30 HD1 PHE 30 -4.892 -5.125 -2.754 209 HE1 PHE 30 HE2 PHE 30 -1.905 -8.292 -0.489 210 HE2 PHE 30 HE1 PHE 30 -2.937 -4.301 -1.521 211 HZ PHE 30 HZ PHE 30 -1.466 -5.881 -0.357 212 H LEU 31 H LEU 31 -3.375 -8.112 -6.033 213 HA LEU 31 HA LEU 31 -2.910 -5.366 -6.031 214 HB2 LEU 31 HB2 LEU 31 -1.709 -7.592 -7.621 215 HB3 LEU 31 HB3 LEU 31 -1.295 -5.925 -7.958 216 HG LEU 31 HG LEU 31 -0.500 -5.692 -5.599 217 HD11 LEU 31 HD11 LEU 31 -1.783 -7.446 -4.536 218 HD12 LEU 31 HD12 LEU 31 -0.053 -7.673 -4.265 219 HD13 LEU 31 HD13 LEU 31 -0.899 -8.665 -5.452 220 HD21 LEU 31 HD21 LEU 31 1.074 -6.129 -7.381 221 HD22 LEU 31 HD22 LEU 31 0.810 -7.866 -7.207 222 HD23 LEU 31 HD23 LEU 31 1.565 -6.955 -5.901 223 H ASP 32 H ASP 32 -5.081 -7.111 -7.960 224 HA ASP 32 HA ASP 32 -5.095 -5.043 -10.033 225 HB2 ASP 32 HB2 ASP 32 -6.558 -7.683 -9.882 226 HB3 ASP 32 HB3 ASP 32 -6.749 -6.523 -11.191 227 H LEU 33 H LEU 33 -6.503 -5.369 -7.106 228 HA LEU 33 HA LEU 33 -9.190 -4.597 -7.818 229 HB2 LEU 33 HB2 LEU 33 -7.785 -4.674 -5.155 230 HB3 LEU 33 HB3 LEU 33 -9.481 -4.297 -5.376 231 HG LEU 33 HG LEU 33 -8.158 -6.939 -5.986 232 HD11 LEU 33 HD11 LEU 33 -9.494 -7.740 -4.105 233 HD12 LEU 33 HD12 LEU 33 -10.074 -6.096 -3.826 234 HD13 LEU 33 HD13 LEU 33 -8.364 -6.477 -3.609 235 HD21 LEU 33 HD21 LEU 33 -10.440 -7.738 -6.379 236 HD22 LEU 33 HD22 LEU 33 -9.997 -6.469 -7.522 237 HD23 LEU 33 HD23 LEU 33 -11.051 -6.098 -6.157 238 H ARG 34 H ARG 34 -10.031 -2.565 -7.706 239 HA ARG 34 HA ARG 34 -8.202 -0.346 -7.779 240 HB2 ARG 34 HB2 ARG 34 -11.217 -0.357 -7.565 241 HB3 ARG 34 HB3 ARG 34 -10.234 1.071 -7.809 242 HG2 ARG 34 HG2 ARG 34 -9.484 0.118 -9.961 243 HG3 ARG 34 HG3 ARG 34 -10.598 -1.231 -9.700 244 HD2 ARG 34 HD2 ARG 34 -11.390 1.679 -9.804 245 HD3 ARG 34 HD3 ARG 34 -11.542 0.547 -11.140 246 HE ARG 34 HE ARG 34 -12.978 -0.736 -9.425 247 HH11 ARG 34 HH11 ARG 34 -12.863 2.856 -9.581 248 HH12 ARG 34 HH12 ARG 34 -14.542 3.035 -9.378 249 HH21 ARG 34 HH21 ARG 34 -15.350 -0.391 -9.038 250 HH22 ARG 34 HH22 ARG 34 -15.938 1.198 -9.019 251 H PHE 35 H PHE 35 -7.498 0.806 -6.062 252 HA PHE 35 HA PHE 35 -8.200 0.384 -3.430 253 HB2 PHE 35 HB2 PHE 35 -7.133 2.851 -4.785 254 HB3 PHE 35 HB3 PHE 35 -7.520 2.867 -3.071 255 HD1 PHE 35 HD2 PHE 35 -6.419 0.864 -1.702 256 HD2 PHE 35 HD1 PHE 35 -5.008 2.335 -5.428 257 HE1 PHE 35 HE2 PHE 35 -4.214 -0.112 -1.250 258 HE2 PHE 35 HE1 PHE 35 -2.799 1.355 -4.990 259 HZ PHE 35 HZ PHE 35 -2.370 0.280 -2.735 260 H GLU 36 H GLU 36 -9.701 2.551 -5.755 261 HA GLU 36 HA GLU 36 -11.632 3.878 -4.256 262 HB2 GLU 36 HB2 GLU 36 -12.056 2.659 -6.986 263 HB3 GLU 36 HB3 GLU 36 -12.981 3.968 -6.277 264 HG2 GLU 36 HG2 GLU 36 -11.038 5.403 -6.360 265 HG3 GLU 36 HG3 GLU 36 -10.074 4.075 -7.010 266 H ASP 37 H ASP 37 -11.578 0.592 -5.400 267 HA ASP 37 HA ASP 37 -14.360 0.089 -4.793 268 HB2 ASP 37 HB2 ASP 37 -13.397 -0.890 -6.807 269 HB3 ASP 37 HB3 ASP 37 -12.179 -1.718 -5.847 270 H ILE 38 H ILE 38 -11.225 -0.487 -3.384 271 HA ILE 38 HA ILE 38 -12.420 -2.324 -1.466 272 HB ILE 38 HB ILE 38 -10.159 -2.841 -0.676 273 HG12 ILE 38 HG12 ILE 38 -9.241 -0.808 -2.738 274 HG13 ILE 38 HG13 ILE 38 -9.119 -0.653 -0.988 275 HG21 ILE 38 HG21 ILE 38 -10.422 -2.918 -3.678 276 HG22 ILE 38 HG22 ILE 38 -11.056 -4.107 -2.537 277 HG23 ILE 38 HG23 ILE 38 -9.314 -3.903 -2.722 278 HD11 ILE 38 HD11 ILE 38 -7.561 -2.520 -0.919 279 HD12 ILE 38 HD12 ILE 38 -6.985 -1.234 -1.979 280 HD13 ILE 38 HD13 ILE 38 -7.686 -2.698 -2.670 281 H GLY 39 H GLY 39 -12.752 0.659 -1.522 282 HA2 GLY 39 HA2 GLY 39 -13.487 2.047 0.194 283 HA3 GLY 39 HA3 GLY 39 -12.833 0.904 1.351 284 H TYR 40 H TYR 40 -10.663 1.995 -1.085 285 HA TYR 40 HA TYR 40 -9.408 3.747 0.892 286 HB2 TYR 40 HB2 TYR 40 -8.257 2.009 -1.276 287 HB3 TYR 40 HB3 TYR 40 -7.344 3.373 -0.649 288 HD1 TYR 40 HD1 TYR 40 -9.329 0.533 0.678 289 HD2 TYR 40 HD2 TYR 40 -5.788 2.845 1.021 290 HE1 TYR 40 HE1 TYR 40 -8.556 -0.934 2.466 291 HE2 TYR 40 HE2 TYR 40 -5.004 1.373 2.830 292 HH TYR 40 HH TYR 40 -5.876 -0.227 4.436 293 H ASP 41 H ASP 41 -10.096 5.715 0.512 294 HA ASP 41 HA ASP 41 -10.693 6.583 -2.174 295 HB2 ASP 41 HB2 ASP 41 -12.243 7.159 -0.431 296 HB3 ASP 41 HB3 ASP 41 -10.973 7.952 0.490 297 H SER 42 H SER 42 -8.425 7.444 0.364 298 HA SER 42 HA SER 42 -6.303 8.171 -1.341 299 HB2 SER 42 HB2 SER 42 -6.312 10.649 -0.993 300 HB3 SER 42 HB3 SER 42 -7.666 10.098 -1.990 301 H LEU 43 H LEU 43 -7.841 9.348 1.621 302 HA LEU 43 HA LEU 43 -5.433 9.762 3.026 303 HB2 LEU 43 HB2 LEU 43 -8.197 9.265 4.122 304 HB3 LEU 43 HB3 LEU 43 -6.839 9.839 5.066 305 HG LEU 43 HG LEU 43 -8.171 11.309 2.794 306 HD11 LEU 43 HD11 LEU 43 -9.513 11.237 4.820 307 HD12 LEU 43 HD12 LEU 43 -8.880 12.859 4.539 308 HD13 LEU 43 HD13 LEU 43 -8.142 11.823 5.761 309 HD21 LEU 43 HD21 LEU 43 -6.704 13.172 3.408 310 HD22 LEU 43 HD22 LEU 43 -5.776 11.772 2.872 311 HD23 LEU 43 HD23 LEU 43 -5.895 12.145 4.594 312 H ALA 44 H ALA 44 -7.662 7.040 2.990 313 HA ALA 44 HA ALA 44 -6.223 5.433 4.800 314 HB1 ALA 44 HB1 ALA 44 -7.488 3.561 3.866 315 HB2 ALA 44 HB2 ALA 44 -7.991 4.568 2.510 316 HB3 ALA 44 HB3 ALA 44 -8.540 4.949 4.142 317 H LEU 45 H LEU 45 -5.959 5.981 1.371 318 HA LEU 45 HA LEU 45 -4.193 3.835 0.772 319 HB2 LEU 45 HB2 LEU 45 -5.679 5.504 -0.747 320 HB3 LEU 45 HB3 LEU 45 -4.148 6.327 -0.801 321 HG LEU 45 HG LEU 45 -4.539 3.561 -1.622 322 HD11 LEU 45 HD11 LEU 45 -4.396 6.079 -3.276 323 HD12 LEU 45 HD12 LEU 45 -5.801 5.025 -3.058 324 HD13 LEU 45 HD13 LEU 45 -4.385 4.436 -3.927 325 HD21 LEU 45 HD21 LEU 45 -2.358 3.822 -2.765 326 HD22 LEU 45 HD22 LEU 45 -2.237 4.008 -1.015 327 HD23 LEU 45 HD23 LEU 45 -2.217 5.432 -2.059 328 H MET 46 H MET 46 -3.748 7.248 1.531 329 HA MET 46 HA MET 46 -0.934 7.387 1.322 330 HB2 MET 46 HB2 MET 46 -2.811 8.959 3.092 331 HB3 MET 46 HB3 MET 46 -1.116 9.350 2.844 332 HG2 MET 46 HG2 MET 46 -1.528 9.667 0.508 333 HG3 MET 46 HG3 MET 46 -3.228 9.270 0.725 334 HE1 MET 46 HE1 MET 46 -3.943 11.503 -0.456 335 HE2 MET 46 HE2 MET 46 -2.248 11.928 -0.693 336 HE3 MET 46 HE3 MET 46 -3.361 13.099 0.012 337 H GLU 47 H GLU 47 -3.099 6.489 3.864 338 HA GLU 47 HA GLU 47 -1.335 6.361 6.024 339 HB2 GLU 47 HB2 GLU 47 -3.894 6.225 5.813 340 HB3 GLU 47 HB3 GLU 47 -3.645 4.503 5.614 341 HG2 GLU 47 HG2 GLU 47 -4.116 4.840 7.907 342 HG3 GLU 47 HG3 GLU 47 -2.386 4.513 7.782 343 H THR 48 H THR 48 -2.257 4.028 3.543 344 HA THR 48 HA THR 48 -0.920 1.737 4.406 345 HB THR 48 HB THR 48 -1.471 2.749 1.614 346 HG1 THR 48 HG1 THR 48 -3.112 1.996 3.553 347 HG21 THR 48 HG21 THR 48 -0.903 -0.060 2.590 348 HG22 THR 48 HG22 THR 48 0.167 0.931 1.597 349 HG23 THR 48 HG23 THR 48 -1.374 0.377 0.946 350 H ALA 49 H ALA 49 0.061 4.211 2.054 351 HA ALA 49 HA ALA 49 2.644 3.300 1.553 352 HB1 ALA 49 HB1 ALA 49 1.503 4.972 0.175 353 HB2 ALA 49 HB2 ALA 49 3.085 5.550 0.703 354 HB3 ALA 49 HB3 ALA 49 1.622 6.138 1.493 355 H ALA 50 H ALA 50 1.516 5.774 3.824 356 HA ALA 50 HA ALA 50 3.942 6.487 4.979 357 HB1 ALA 50 HB1 ALA 50 2.611 7.394 6.794 358 HB2 ALA 50 HB2 ALA 50 1.219 6.453 6.257 359 HB3 ALA 50 HB3 ALA 50 1.859 7.740 5.236 360 H ARG 51 H ARG 51 1.785 3.850 5.702 361 HA ARG 51 HA ARG 51 2.782 2.965 8.177 362 HB2 ARG 51 HB2 ARG 51 0.694 2.155 7.140 363 HB3 ARG 51 HB3 ARG 51 1.624 1.390 5.866 364 HG2 ARG 51 HG2 ARG 51 1.283 -0.425 7.147 365 HG3 ARG 51 HG3 ARG 51 2.719 0.173 7.971 366 HD2 ARG 51 HD2 ARG 51 -0.142 0.663 8.775 367 HD3 ARG 51 HD3 ARG 51 0.969 -0.460 9.540 368 HE ARG 51 HE ARG 51 1.762 2.348 9.536 369 HH11 ARG 51 HH11 ARG 51 0.440 -0.396 11.341 370 HH12 ARG 51 HH12 ARG 51 0.435 0.408 12.824 371 HH21 ARG 51 HH21 ARG 51 1.807 3.430 11.518 372 HH22 ARG 51 HH22 ARG 51 1.215 2.671 12.946 373 H LEU 52 H LEU 52 3.501 1.970 4.868 374 HA LEU 52 HA LEU 52 5.627 0.272 5.659 375 HB2 LEU 52 HB2 LEU 52 4.909 1.261 2.898 376 HB3 LEU 52 HB3 LEU 52 6.060 -0.016 3.260 377 HG LEU 52 HG LEU 52 3.101 -0.114 3.835 378 HD11 LEU 52 HD11 LEU 52 4.777 -1.613 1.859 379 HD12 LEU 52 HD12 LEU 52 3.625 -0.322 1.464 380 HD13 LEU 52 HD13 LEU 52 3.052 -1.849 2.138 381 HD21 LEU 52 HD21 LEU 52 3.517 -2.445 4.471 382 HD22 LEU 52 HD22 LEU 52 4.379 -1.323 5.525 383 HD23 LEU 52 HD23 LEU 52 5.249 -2.191 4.260 384 H GLU 53 H GLU 53 5.446 3.623 4.697 385 HA GLU 53 HA GLU 53 8.135 4.067 4.149 386 HB2 GLU 53 HB2 GLU 53 6.135 5.947 5.380 387 HB3 GLU 53 HB3 GLU 53 7.739 6.450 4.868 388 HG2 GLU 53 HG2 GLU 53 7.122 5.676 2.562 389 HG3 GLU 53 HG3 GLU 53 5.480 5.439 3.154 390 H SER 54 H SER 54 6.483 4.471 7.283 391 HA SER 54 HA SER 54 8.823 5.044 8.703 392 HB2 SER 54 HB2 SER 54 7.360 4.439 10.668 393 HB3 SER 54 HB3 SER 54 6.695 5.661 9.582 394 HG SER 54 HG SER 54 5.269 3.882 10.249 395 H ARG 55 H ARG 55 7.135 2.095 8.023 396 HA ARG 55 HA ARG 55 8.540 0.392 9.770 397 HB2 ARG 55 HB2 ARG 55 6.301 -0.069 8.921 398 HB3 ARG 55 HB3 ARG 55 6.946 -0.275 7.306 399 HG2 ARG 55 HG2 ARG 55 8.093 -2.275 7.976 400 HG3 ARG 55 HG3 ARG 55 7.625 -2.021 9.662 401 HD2 ARG 55 HD2 ARG 55 5.279 -2.242 9.076 402 HD3 ARG 55 HD3 ARG 55 5.692 -2.408 7.374 403 HE ARG 55 HE ARG 55 7.060 -4.418 8.480 404 HH11 ARG 55 HH11 ARG 55 3.627 -3.465 8.983 405 HH12 ARG 55 HH12 ARG 55 3.071 -5.043 9.148 406 HH21 ARG 55 HH21 ARG 55 6.253 -6.623 8.666 407 HH22 ARG 55 HH22 ARG 55 4.619 -6.884 9.004 408 H TYR 56 H TYR 56 8.988 0.858 6.236 409 HA TYR 56 HA TYR 56 11.397 -0.818 6.444 410 HB2 TYR 56 HB2 TYR 56 9.691 -0.145 4.064 411 HB3 TYR 56 HB3 TYR 56 11.242 -0.966 3.939 412 HD1 TYR 56 HD2 TYR 56 11.517 -3.221 4.994 413 HD2 TYR 56 HD1 TYR 56 7.749 -1.282 4.718 414 HE1 TYR 56 HE2 TYR 56 10.413 -5.356 5.404 415 HE2 TYR 56 HE1 TYR 56 6.608 -3.411 5.115 416 HH TYR 56 HH TYR 56 8.170 -6.168 6.248 417 H GLY 57 H GLY 57 10.474 2.442 5.813 418 HA2 GLY 57 HA2 GLY 57 12.003 4.205 5.713 419 HA3 GLY 57 HA3 GLY 57 13.271 3.058 5.292 420 H VAL 58 H VAL 58 10.128 3.952 3.957 421 HA VAL 58 HA VAL 58 11.473 4.278 1.390 422 HB VAL 58 HB VAL 58 9.393 3.687 0.185 423 HG11 VAL 58 HG11 VAL 58 9.394 1.309 0.625 424 HG12 VAL 58 HG12 VAL 58 10.248 1.604 2.143 425 HG13 VAL 58 HG13 VAL 58 11.035 1.971 0.600 426 HG21 VAL 58 HG21 VAL 58 8.317 2.955 2.896 427 HG22 VAL 58 HG22 VAL 58 7.540 2.617 1.347 428 HG23 VAL 58 HG23 VAL 58 7.762 4.284 1.881 429 H SER 59 H SER 59 9.930 5.660 -0.153 430 HA SER 59 HA SER 59 8.826 7.852 1.362 431 HB2 SER 59 HB2 SER 59 10.116 9.402 -0.225 432 HB3 SER 59 HB3 SER 59 11.025 8.643 1.081 433 HG SER 59 HG SER 59 11.420 8.517 -1.537 434 H ILE 60 H ILE 60 6.846 7.902 0.673 435 HA ILE 60 HA ILE 60 6.341 7.895 -2.225 436 HB ILE 60 HB ILE 60 4.535 6.708 -0.064 437 HG12 ILE 60 HG12 ILE 60 4.482 4.697 -1.553 438 HG13 ILE 60 HG13 ILE 60 5.671 5.468 -2.592 439 HG21 ILE 60 HG21 ILE 60 3.796 7.254 -2.937 440 HG22 ILE 60 HG22 ILE 60 3.142 8.055 -1.510 441 HG23 ILE 60 HG23 ILE 60 2.821 6.343 -1.784 442 HD11 ILE 60 HD11 ILE 60 6.674 3.806 -1.163 443 HD12 ILE 60 HD12 ILE 60 6.050 4.629 0.267 444 HD13 ILE 60 HD13 ILE 60 7.266 5.414 -0.741 445 HA PRO 61 HA PRO 61 5.129 12.065 -1.156 446 HB2 PRO 61 HB2 PRO 61 4.339 12.018 -4.016 447 HB3 PRO 61 HB3 PRO 61 5.397 13.146 -3.164 448 HG2 PRO 61 HG2 PRO 61 6.410 11.351 -4.830 449 HG3 PRO 61 HG3 PRO 61 7.230 11.733 -3.301 450 HD2 PRO 61 HD2 PRO 61 5.503 9.390 -3.992 451 HD3 PRO 61 HD3 PRO 61 7.034 9.433 -3.086 452 H ASP 62 H ASP 62 3.203 13.027 -0.751 453 HA ASP 62 HA ASP 62 0.867 11.563 -0.357 454 HB2 ASP 62 HB2 ASP 62 1.178 14.556 -0.655 455 HB3 ASP 62 HB3 ASP 62 -0.283 13.766 -0.091 456 H ASP 63 H ASP 63 1.845 13.508 -3.089 457 HA ASP 63 HA ASP 63 -0.713 13.589 -4.382 458 HB2 ASP 63 HB2 ASP 63 2.012 13.831 -5.689 459 HB3 ASP 63 HB3 ASP 63 0.480 14.259 -6.419 460 H VAL 64 H VAL 64 2.040 11.487 -4.514 461 HA VAL 64 HA VAL 64 1.107 9.898 -6.742 462 HB VAL 64 HB VAL 64 3.246 9.260 -4.714 463 HG11 VAL 64 HG11 VAL 64 2.813 8.277 -7.544 464 HG12 VAL 64 HG12 VAL 64 2.549 7.347 -6.069 465 HG13 VAL 64 HG13 VAL 64 4.180 7.849 -6.515 466 HG21 VAL 64 HG21 VAL 64 4.857 10.191 -6.327 467 HG22 VAL 64 HG22 VAL 64 3.724 11.407 -5.736 468 HG23 VAL 64 HG23 VAL 64 3.514 10.716 -7.343 469 H ALA 65 H ALA 65 1.109 9.629 -3.243 470 HA ALA 65 HA ALA 65 0.036 7.068 -3.016 471 HB1 ALA 65 HB1 ALA 65 -0.802 7.810 -0.824 472 HB2 ALA 65 HB2 ALA 65 -0.440 9.485 -1.281 473 HB3 ALA 65 HB3 ALA 65 0.866 8.316 -1.100 474 H GLY 66 H GLY 66 -1.621 10.208 -3.302 475 HA2 GLY 66 HA2 GLY 66 -4.177 8.862 -3.747 476 HA3 GLY 66 HA3 GLY 66 -3.910 10.601 -3.669 477 H ARG 67 H ARG 67 -2.407 8.116 -5.609 478 HA ARG 67 HA ARG 67 -3.432 9.307 -8.085 479 HB2 ARG 67 HB2 ARG 67 -1.349 10.464 -7.727 480 HB3 ARG 67 HB3 ARG 67 -0.515 8.954 -7.416 481 HG2 ARG 67 HG2 ARG 67 -0.818 8.306 -9.735 482 HG3 ARG 67 HG3 ARG 67 -1.687 9.815 -10.041 483 HD2 ARG 67 HD2 ARG 67 0.281 11.097 -9.451 484 HD3 ARG 67 HD3 ARG 67 1.154 9.615 -9.059 485 HE ARG 67 HE ARG 67 0.980 9.011 -11.393 486 HH11 ARG 67 HH11 ARG 67 0.534 12.416 -10.537 487 HH12 ARG 67 HH12 ARG 67 0.945 13.015 -12.074 488 HH21 ARG 67 HH21 ARG 67 1.614 9.843 -13.530 489 HH22 ARG 67 HH22 ARG 67 1.556 11.520 -13.799 490 H VAL 68 H VAL 68 -1.719 6.710 -6.475 491 HA VAL 68 HA VAL 68 -1.804 4.985 -8.733 492 HB VAL 68 HB VAL 68 -1.059 3.233 -7.022 493 HG11 VAL 68 HG11 VAL 68 0.505 4.509 -8.416 494 HG12 VAL 68 HG12 VAL 68 1.175 4.238 -6.807 495 HG13 VAL 68 HG13 VAL 68 0.503 5.814 -7.231 496 HG21 VAL 68 HG21 VAL 68 -0.942 5.674 -5.253 497 HG22 VAL 68 HG22 VAL 68 -0.318 4.074 -4.844 498 HG23 VAL 68 HG23 VAL 68 -2.058 4.324 -5.036 499 H ASP 69 H ASP 69 -3.255 3.591 -9.332 500 HA ASP 69 HA ASP 69 -5.866 3.737 -8.065 501 HB2 ASP 69 HB2 ASP 69 -5.867 4.146 -10.403 502 HB3 ASP 69 HB3 ASP 69 -4.907 2.715 -10.726 503 H THR 70 H THR 70 -3.743 1.140 -9.216 504 HA THR 70 HA THR 70 -5.230 -0.670 -7.472 505 HB THR 70 HB THR 70 -4.084 -2.500 -8.726 506 HG1 THR 70 HG1 THR 70 -3.079 -0.310 -10.267 507 HG21 THR 70 HG21 THR 70 -6.291 -1.738 -9.416 508 HG22 THR 70 HG22 THR 70 -5.329 -2.198 -10.823 509 HG23 THR 70 HG23 THR 70 -5.557 -0.493 -10.424 510 HA PRO 71 HA PRO 71 -2.096 -1.050 -4.377 511 HB2 PRO 71 HB2 PRO 71 -2.322 -3.998 -4.780 512 HB3 PRO 71 HB3 PRO 71 -2.430 -3.055 -3.288 513 HG2 PRO 71 HG2 PRO 71 -4.621 -4.000 -4.380 514 HG3 PRO 71 HG3 PRO 71 -4.597 -2.334 -3.757 515 HD2 PRO 71 HD2 PRO 71 -4.385 -3.305 -6.577 516 HD3 PRO 71 HD3 PRO 71 -5.316 -1.940 -5.924 517 H ARG 72 H ARG 72 -1.757 -3.044 -7.246 518 HA ARG 72 HA ARG 72 0.913 -3.781 -7.093 519 HB2 ARG 72 HB2 ARG 72 -0.627 -4.620 -8.794 520 HB3 ARG 72 HB3 ARG 72 -0.701 -3.030 -9.531 521 HG2 ARG 72 HG2 ARG 72 1.603 -3.184 -10.213 522 HG3 ARG 72 HG3 ARG 72 1.791 -4.711 -9.345 523 HD2 ARG 72 HD2 ARG 72 -0.132 -4.249 -11.618 524 HD3 ARG 72 HD3 ARG 72 1.455 -5.006 -11.780 525 HE ARG 72 HE ARG 72 0.659 -6.750 -10.276 526 HH11 ARG 72 HH11 ARG 72 -1.831 -4.773 -11.931 527 HH12 ARG 72 HH12 ARG 72 -2.986 -6.031 -11.899 528 HH21 ARG 72 HH21 ARG 72 -1.079 -8.417 -10.205 529 HH22 ARG 72 HH22 ARG 72 -2.588 -8.049 -10.905 530 H GLU 73 H GLU 73 -0.510 -0.797 -8.310 531 HA GLU 73 HA GLU 73 1.835 0.469 -9.202 532 HB2 GLU 73 HB2 GLU 73 -0.804 1.565 -8.238 533 HB3 GLU 73 HB3 GLU 73 0.434 2.528 -9.028 534 HG2 GLU 73 HG2 GLU 73 0.140 1.414 -11.074 535 HG3 GLU 73 HG3 GLU 73 -0.773 0.107 -10.320 536 H LEU 74 H LEU 74 0.133 0.513 -6.109 537 HA LEU 74 HA LEU 74 1.809 2.461 -4.873 538 HB2 LEU 74 HB2 LEU 74 -0.548 1.836 -4.148 539 HB3 LEU 74 HB3 LEU 74 0.113 0.343 -3.528 540 HG LEU 74 HG LEU 74 -0.430 2.089 -1.803 541 HD11 LEU 74 HD11 LEU 74 1.576 1.808 -0.454 542 HD12 LEU 74 HD12 LEU 74 2.446 1.218 -1.872 543 HD13 LEU 74 HD13 LEU 74 1.085 0.300 -1.226 544 HD21 LEU 74 HD21 LEU 74 0.268 4.067 -3.006 545 HD22 LEU 74 HD22 LEU 74 1.942 3.516 -2.992 546 HD23 LEU 74 HD23 LEU 74 1.143 3.944 -1.479 547 H LEU 75 H LEU 75 1.691 -1.065 -4.793 548 HA LEU 75 HA LEU 75 3.813 -1.543 -3.049 549 HB2 LEU 75 HB2 LEU 75 2.157 -3.221 -3.837 550 HB3 LEU 75 HB3 LEU 75 2.952 -3.228 -5.399 551 HG LEU 75 HG LEU 75 5.001 -4.102 -4.332 552 HD11 LEU 75 HD11 LEU 75 3.288 -4.230 -1.852 553 HD12 LEU 75 HD12 LEU 75 4.675 -3.169 -2.105 554 HD13 LEU 75 HD13 LEU 75 4.904 -4.915 -2.029 555 HD21 LEU 75 HD21 LEU 75 2.501 -5.695 -3.779 556 HD22 LEU 75 HD22 LEU 75 4.135 -6.352 -3.893 557 HD23 LEU 75 HD23 LEU 75 3.373 -5.632 -5.311 558 H ASP 76 H ASP 76 3.742 -0.914 -6.489 559 HA ASP 76 HA ASP 76 6.407 -1.478 -7.153 560 HB2 ASP 76 HB2 ASP 76 4.601 -1.062 -8.795 561 HB3 ASP 76 HB3 ASP 76 4.610 0.639 -8.347 562 H LEU 77 H LEU 77 4.859 1.462 -5.984 563 HA LEU 77 HA LEU 77 7.050 3.229 -6.102 564 HB2 LEU 77 HB2 LEU 77 4.866 3.178 -4.029 565 HB3 LEU 77 HB3 LEU 77 5.849 4.553 -4.473 566 HG LEU 77 HG LEU 77 3.822 3.215 -6.247 567 HD11 LEU 77 HD11 LEU 77 2.797 4.343 -4.373 568 HD12 LEU 77 HD12 LEU 77 2.509 5.236 -5.866 569 HD13 LEU 77 HD13 LEU 77 3.723 5.802 -4.716 570 HD21 LEU 77 HD21 LEU 77 4.153 5.157 -7.700 571 HD22 LEU 77 HD22 LEU 77 5.647 4.240 -7.512 572 HD23 LEU 77 HD23 LEU 77 5.421 5.749 -6.626 573 H ILE 78 H ILE 78 5.913 1.010 -3.673 574 HA ILE 78 HA ILE 78 7.764 1.589 -1.610 575 HB ILE 78 HB ILE 78 6.461 -1.085 -2.202 576 HG12 ILE 78 HG12 ILE 78 4.745 0.687 -2.051 577 HG13 ILE 78 HG13 ILE 78 4.645 -0.432 -0.701 578 HG21 ILE 78 HG21 ILE 78 8.248 -1.245 -0.594 579 HG22 ILE 78 HG22 ILE 78 6.694 -1.443 0.222 580 HG23 ILE 78 HG23 ILE 78 7.564 0.083 0.343 581 HD11 ILE 78 HD11 ILE 78 4.292 1.859 0.010 582 HD12 ILE 78 HD12 ILE 78 5.868 2.318 -0.636 583 HD13 ILE 78 HD13 ILE 78 5.763 1.203 0.728 584 H ASN 79 H ASN 79 7.648 -1.019 -4.031 585 HA ASN 79 HA ASN 79 10.113 -2.218 -3.443 586 HB2 ASN 79 HB2 ASN 79 8.491 -2.223 -5.990 587 HB3 ASN 79 HB3 ASN 79 10.047 -3.019 -5.905 588 HD21 ASN 79 HD21 ASN 79 7.624 -2.980 -3.300 589 HD22 ASN 79 HD22 ASN 79 7.305 -4.683 -3.406 590 H GLY 80 H GLY 80 9.349 0.320 -5.783 591 HA2 GLY 80 HA2 GLY 80 11.870 0.559 -6.946 592 HA3 GLY 80 HA3 GLY 80 10.666 1.832 -6.853 593 H ALA 81 H ALA 81 10.552 2.138 -4.086 594 HA ALA 81 HA ALA 81 12.824 3.779 -3.663 595 HB1 ALA 81 HB1 ALA 81 10.618 4.345 -2.749 596 HB2 ALA 81 HB2 ALA 81 11.838 4.255 -1.476 597 HB3 ALA 81 HB3 ALA 81 10.694 2.933 -1.695 598 H LEU 82 H LEU 82 11.770 0.662 -2.398 599 HA LEU 82 HA LEU 82 13.936 0.364 -0.601 600 HB2 LEU 82 HB2 LEU 82 11.943 -1.592 -1.697 601 HB3 LEU 82 HB3 LEU 82 13.239 -2.098 -0.628 602 HG LEU 82 HG LEU 82 11.186 -0.004 0.077 603 HD11 LEU 82 HD11 LEU 82 11.322 -2.898 0.894 604 HD12 LEU 82 HD12 LEU 82 10.121 -2.176 -0.175 605 HD13 LEU 82 HD13 LEU 82 10.193 -1.698 1.522 606 HD21 LEU 82 HD21 LEU 82 13.243 -1.448 1.744 607 HD22 LEU 82 HD22 LEU 82 12.041 -0.310 2.351 608 HD23 LEU 82 HD23 LEU 82 13.304 0.246 1.253 609 H ALA 83 H ALA 83 13.555 -0.474 -3.965 610 HA ALA 83 HA ALA 83 15.825 -2.102 -4.229 611 HB1 ALA 83 HB1 ALA 83 14.643 -0.207 -6.266 612 HB2 ALA 83 HB2 ALA 83 14.122 -1.869 -5.986 613 HB3 ALA 83 HB3 ALA 83 15.740 -1.546 -6.610 614 H GLU 84 H GLU 84 15.493 1.283 -3.780 615 HA GLU 84 HA GLU 84 18.223 1.852 -4.564 616 HB2 GLU 84 HB2 GLU 84 15.976 3.596 -3.581 617 HB3 GLU 84 HB3 GLU 84 17.602 4.198 -3.872 618 HG2 GLU 84 HG2 GLU 84 15.854 2.877 -5.931 619 HG3 GLU 84 HG3 GLU 84 16.086 4.619 -5.750 620 H ALA 85 H ALA 85 16.706 0.688 -1.874 621 HA ALA 85 HA ALA 85 18.379 2.046 0.049 622 HB1 ALA 85 HB1 ALA 85 16.370 -0.187 0.398 623 HB2 ALA 85 HB2 ALA 85 16.065 1.530 0.664 624 HB3 ALA 85 HB3 ALA 85 17.195 0.663 1.704 625 H ALA 86 H ALA 86 20.123 1.133 1.008 626 HA ALA 86 HA ALA 86 20.908 -1.547 0.552 627 HB1 ALA 86 HB1 ALA 86 21.459 -0.626 -1.660 628 HB2 ALA 86 HB2 ALA 86 22.924 -1.024 -0.763 629 HB3 ALA 86 HB3 ALA 86 22.400 0.655 -0.896 630 H28 SXA 87 H28A SXA 87 -7.931 14.506 -1.456 631 H28A SXA 87 H28B SXA 87 -8.205 14.751 0.269 632 H30 SXA 87 H30A SXA 87 -6.295 15.113 1.777 633 H30A SXA 87 H30B SXA 87 -4.670 15.316 1.129 634 H30B SXA 87 H30C SXA 87 -5.437 13.725 1.103 635 H31 SXA 87 H31A SXA 87 -4.295 15.140 -1.377 636 H31A SXA 87 H31B SXA 87 -5.670 14.799 -2.430 637 H31B SXA 87 H31C SXA 87 -5.063 13.551 -1.341 638 H32 SXA 87 H32A SXA 87 -7.297 16.969 0.047 639 HO33 SXA 87 H33A SXA 87 -6.141 17.507 -2.240 640 HN36 SXA 87 H36A SXA 87 -5.455 17.234 1.623 641 H37 SXA 87 H37A SXA 87 -2.854 17.956 1.159 642 H37A SXA 87 H37B SXA 87 -3.771 19.450 0.937 643 H38 SXA 87 H38A SXA 87 -3.842 17.701 3.425 644 H38A SXA 87 H38B SXA 87 -2.807 19.088 3.220 645 HN41 SXA 87 H41A SXA 87 -5.564 19.826 1.640 646 H42 SXA 87 H42A SXA 87 -7.571 20.485 3.392 647 H42A SXA 87 H42B SXA 87 -6.435 21.835 3.416 648 H43 SXA 87 H43A SXA 87 -8.128 22.271 1.741 649 H43A SXA 87 H43B SXA 87 -7.784 20.713 0.978 650 H2 SXA 87 H2C SXA 87 -5.842 24.339 -1.415 651 H2A SXA 87 H2A SXA 87 -6.814 23.604 -2.693 652 H2B SXA 87 H2B SXA 87 -5.338 22.805 -2.134 Start of MODEL 16 1 H1 MET 1 H1 MET 1 21.057 -7.138 -3.781 2 H2 MET 1 H2 MET 1 22.175 -8.045 -2.908 3 H3 MET 1 H3 MET 1 21.899 -6.385 -2.538 4 HA MET 1 HA MET 1 19.897 -8.532 -2.286 5 HB2 MET 1 HB2 MET 1 21.359 -6.903 -0.193 6 HB3 MET 1 HB3 MET 1 19.971 -7.927 0.137 7 HG2 MET 1 HG2 MET 1 21.250 -9.880 -0.548 8 HG3 MET 1 HG3 MET 1 22.638 -8.849 -0.895 9 HE1 MET 1 HE1 MET 1 23.717 -10.768 2.345 10 HE2 MET 1 HE2 MET 1 24.127 -10.383 0.673 11 HE3 MET 1 HE3 MET 1 22.727 -11.390 1.026 12 H ALA 2 H ALA 2 17.876 -7.809 -1.756 13 HA ALA 2 HA ALA 2 17.481 -4.939 -1.592 14 HB1 ALA 2 HB1 ALA 2 15.712 -5.003 -3.278 15 HB2 ALA 2 HB2 ALA 2 16.059 -6.704 -3.589 16 HB3 ALA 2 HB3 ALA 2 17.264 -5.474 -3.968 17 H THR 3 H THR 3 16.061 -4.496 -0.076 18 HA THR 3 HA THR 3 14.492 -6.665 1.043 19 HB THR 3 HB THR 3 15.651 -5.220 2.656 20 HG1 THR 3 HG1 THR 3 13.855 -5.927 3.535 21 HG21 THR 3 HG21 THR 3 15.082 -2.838 2.970 22 HG22 THR 3 HG22 THR 3 14.057 -2.899 1.537 23 HG23 THR 3 HG23 THR 3 15.801 -3.129 1.386 24 H LEU 4 H LEU 4 12.642 -7.076 -0.021 25 HA LEU 4 HA LEU 4 11.229 -4.768 -1.171 26 HB2 LEU 4 HB2 LEU 4 11.275 -7.527 -2.402 27 HB3 LEU 4 HB3 LEU 4 10.578 -6.077 -3.023 28 HG LEU 4 HG LEU 4 13.553 -6.404 -2.683 29 HD11 LEU 4 HD11 LEU 4 11.840 -6.623 -5.147 30 HD12 LEU 4 HD12 LEU 4 12.709 -7.942 -4.359 31 HD13 LEU 4 HD13 LEU 4 13.603 -6.620 -5.113 32 HD21 LEU 4 HD21 LEU 4 12.785 -4.087 -2.587 33 HD22 LEU 4 HD22 LEU 4 11.894 -4.312 -4.092 34 HD23 LEU 4 HD23 LEU 4 13.655 -4.401 -4.088 35 H LEU 5 H LEU 5 8.937 -5.018 -1.341 36 HA LEU 5 HA LEU 5 7.922 -6.741 0.775 37 HB2 LEU 5 HB2 LEU 5 6.671 -4.341 -0.540 38 HB3 LEU 5 HB3 LEU 5 5.870 -5.354 0.640 39 HG LEU 5 HG LEU 5 8.259 -3.589 1.100 40 HD11 LEU 5 HD11 LEU 5 6.757 -2.472 2.652 41 HD12 LEU 5 HD12 LEU 5 5.471 -3.605 2.241 42 HD13 LEU 5 HD13 LEU 5 6.075 -2.481 1.024 43 HD21 LEU 5 HD21 LEU 5 6.883 -5.494 2.957 44 HD22 LEU 5 HD22 LEU 5 8.168 -4.362 3.404 45 HD23 LEU 5 HD23 LEU 5 8.511 -5.704 2.302 46 H THR 6 H THR 6 6.282 -8.116 0.459 47 HA THR 6 HA THR 6 5.829 -8.802 -2.328 48 HB THR 6 HB THR 6 5.045 -10.987 -1.408 49 HG1 THR 6 HG1 THR 6 5.936 -9.855 1.090 50 HG21 THR 6 HG21 THR 6 7.277 -11.816 -0.765 51 HG22 THR 6 HG22 THR 6 7.826 -10.152 -0.547 52 HG23 THR 6 HG23 THR 6 7.368 -10.731 -2.151 53 H THR 7 H THR 7 3.625 -10.041 -2.448 54 HA THR 7 HA THR 7 1.443 -8.344 -2.392 55 HB THR 7 HB THR 7 1.577 -11.372 -2.203 56 HG1 THR 7 HG1 THR 7 2.728 -10.548 -4.008 57 HG21 THR 7 HG21 THR 7 -0.692 -10.530 -1.759 58 HG22 THR 7 HG22 THR 7 -0.618 -11.346 -3.322 59 HG23 THR 7 HG23 THR 7 -0.632 -9.584 -3.246 60 H ASP 8 H ASP 8 2.274 -10.929 -0.050 61 HA ASP 8 HA ASP 8 0.200 -10.469 1.758 62 HB2 ASP 8 HB2 ASP 8 1.487 -12.513 1.823 63 HB3 ASP 8 HB3 ASP 8 2.945 -11.615 2.241 64 H ASP 9 H ASP 9 3.408 -9.005 1.620 65 HA ASP 9 HA ASP 9 3.304 -7.634 4.125 66 HB2 ASP 9 HB2 ASP 9 4.787 -6.908 1.607 67 HB3 ASP 9 HB3 ASP 9 5.029 -6.055 3.115 68 H LEU 10 H LEU 10 2.428 -6.810 0.873 69 HA LEU 10 HA LEU 10 1.730 -4.163 1.305 70 HB2 LEU 10 HB2 LEU 10 2.141 -5.236 -0.886 71 HB3 LEU 10 HB3 LEU 10 0.630 -6.100 -0.726 72 HG LEU 10 HG LEU 10 -0.551 -3.903 -0.717 73 HD11 LEU 10 HD11 LEU 10 1.287 -2.496 0.015 74 HD12 LEU 10 HD12 LEU 10 0.650 -1.938 -1.532 75 HD13 LEU 10 HD13 LEU 10 2.164 -2.845 -1.476 76 HD21 LEU 10 HD21 LEU 10 1.143 -4.572 -3.114 77 HD22 LEU 10 HD22 LEU 10 -0.285 -3.541 -3.137 78 HD23 LEU 10 HD23 LEU 10 -0.435 -5.250 -2.722 79 H ARG 11 H ARG 11 -0.224 -7.138 1.131 80 HA ARG 11 HA ARG 11 -2.772 -6.190 1.624 81 HB2 ARG 11 HB2 ARG 11 -2.455 -8.526 1.083 82 HB3 ARG 11 HB3 ARG 11 -1.521 -8.792 2.549 83 HG2 ARG 11 HG2 ARG 11 -3.504 -8.457 3.913 84 HG3 ARG 11 HG3 ARG 11 -4.450 -8.057 2.484 85 HD2 ARG 11 HD2 ARG 11 -4.869 -10.350 3.233 86 HD3 ARG 11 HD3 ARG 11 -4.142 -10.316 1.630 87 HE ARG 11 HE ARG 11 -2.032 -10.628 3.352 88 HH11 ARG 11 HH11 ARG 11 -5.076 -12.461 2.908 89 HH12 ARG 11 HH12 ARG 11 -4.308 -13.961 3.170 90 HH21 ARG 11 HH21 ARG 11 -1.069 -12.783 3.749 91 HH22 ARG 11 HH22 ARG 11 -2.103 -14.144 3.629 92 H ARG 12 H ARG 12 -0.475 -7.302 4.042 93 HA ARG 12 HA ARG 12 -1.993 -6.736 6.308 94 HB2 ARG 12 HB2 ARG 12 0.992 -6.876 5.963 95 HB3 ARG 12 HB3 ARG 12 0.188 -6.802 7.533 96 HG2 ARG 12 HG2 ARG 12 -0.994 -8.892 6.969 97 HG3 ARG 12 HG3 ARG 12 -0.101 -8.962 5.455 98 HD2 ARG 12 HD2 ARG 12 1.126 -8.953 8.203 99 HD3 ARG 12 HD3 ARG 12 0.859 -10.384 7.218 100 HE ARG 12 HE ARG 12 2.355 -8.724 5.655 101 HH11 ARG 12 HH11 ARG 12 2.718 -10.242 8.845 102 HH12 ARG 12 HH12 ARG 12 4.423 -10.301 8.777 103 HH21 ARG 12 HH21 ARG 12 4.850 -8.860 5.578 104 HH22 ARG 12 HH22 ARG 12 5.565 -9.549 6.955 105 H ALA 13 H ALA 13 -0.136 -4.599 4.328 106 HA ALA 13 HA ALA 13 -0.009 -2.495 6.263 107 HB1 ALA 13 HB1 ALA 13 0.448 -2.416 3.290 108 HB2 ALA 13 HB2 ALA 13 1.682 -2.709 4.515 109 HB3 ALA 13 HB3 ALA 13 0.865 -1.148 4.440 110 H LEU 14 H LEU 14 -1.936 -3.135 3.342 111 HA LEU 14 HA LEU 14 -3.393 -0.718 3.516 112 HB2 LEU 14 HB2 LEU 14 -3.938 -3.255 2.011 113 HB3 LEU 14 HB3 LEU 14 -5.123 -1.980 2.062 114 HG LEU 14 HG LEU 14 -3.395 -0.474 0.992 115 HD11 LEU 14 HD11 LEU 14 -1.971 -3.072 0.524 116 HD12 LEU 14 HD12 LEU 14 -1.402 -1.732 1.522 117 HD13 LEU 14 HD13 LEU 14 -1.582 -1.522 -0.220 118 HD21 LEU 14 HD21 LEU 14 -5.230 -1.427 -0.248 119 HD22 LEU 14 HD22 LEU 14 -4.310 -2.909 -0.512 120 HD23 LEU 14 HD23 LEU 14 -3.770 -1.397 -1.238 121 H VAL 15 H VAL 15 -4.195 -3.993 4.621 122 HA VAL 15 HA VAL 15 -6.850 -3.592 5.336 123 HB VAL 15 HB VAL 15 -4.834 -5.359 6.775 124 HG11 VAL 15 HG11 VAL 15 -7.853 -5.479 6.757 125 HG12 VAL 15 HG12 VAL 15 -6.846 -5.007 8.128 126 HG13 VAL 15 HG13 VAL 15 -6.781 -6.658 7.516 127 HG21 VAL 15 HG21 VAL 15 -5.738 -7.146 5.358 128 HG22 VAL 15 HG22 VAL 15 -4.998 -5.862 4.402 129 HG23 VAL 15 HG23 VAL 15 -6.753 -5.966 4.527 130 H GLU 16 H GLU 16 -4.059 -3.293 7.508 131 HA GLU 16 HA GLU 16 -5.509 -2.364 9.717 132 HB2 GLU 16 HB2 GLU 16 -2.609 -2.088 9.003 133 HB3 GLU 16 HB3 GLU 16 -3.283 -1.590 10.551 134 HG2 GLU 16 HG2 GLU 16 -3.490 -4.363 9.431 135 HG3 GLU 16 HG3 GLU 16 -2.248 -3.831 10.566 136 H SER 17 H SER 17 -4.167 -0.657 7.011 137 HA SER 17 HA SER 17 -4.427 1.905 8.266 138 HB2 SER 17 HB2 SER 17 -3.872 1.183 5.405 139 HB3 SER 17 HB3 SER 17 -3.619 2.762 6.165 140 HG SER 17 HG SER 17 -2.164 0.423 6.339 141 H ALA 18 H ALA 18 -6.569 -0.200 6.706 142 HA ALA 18 HA ALA 18 -8.250 1.771 5.510 143 HB1 ALA 18 HB1 ALA 18 -8.905 -1.064 6.336 144 HB2 ALA 18 HB2 ALA 18 -8.296 -0.567 4.758 145 HB3 ALA 18 HB3 ALA 18 -9.893 -0.040 5.293 146 H GLY 19 H GLY 19 -7.953 0.266 8.620 147 HA2 GLY 19 HA2 GLY 19 -8.640 1.057 10.674 148 HA3 GLY 19 HA3 GLY 19 -9.427 2.395 9.855 149 H GLU 20 H GLU 20 -11.311 1.506 8.446 150 HA GLU 20 HA GLU 20 -13.225 0.543 10.324 151 HB2 GLU 20 HB2 GLU 20 -13.493 1.176 7.385 152 HB3 GLU 20 HB3 GLU 20 -14.831 0.796 8.462 153 HG2 GLU 20 HG2 GLU 20 -12.980 3.157 8.663 154 HG3 GLU 20 HG3 GLU 20 -14.671 3.179 8.157 155 H THR 21 H THR 21 -13.710 -1.419 10.712 156 HA THR 21 HA THR 21 -12.553 -3.535 9.169 157 HB THR 21 HB THR 21 -13.737 -4.934 11.013 158 HG1 THR 21 HG1 THR 21 -13.750 -2.389 12.305 159 HG21 THR 21 HG21 THR 21 -11.314 -4.501 10.949 160 HG22 THR 21 HG22 THR 21 -11.917 -4.442 12.602 161 HG23 THR 21 HG23 THR 21 -11.573 -2.945 11.736 162 H ASP 22 H ASP 22 -13.868 -2.826 7.339 163 HA ASP 22 HA ASP 22 -16.688 -3.410 7.320 164 HB2 ASP 22 HB2 ASP 22 -15.724 -1.666 5.860 165 HB3 ASP 22 HB3 ASP 22 -14.831 -2.909 4.987 166 H GLY 23 H GLY 23 -13.760 -5.045 6.578 167 HA2 GLY 23 HA2 GLY 23 -13.668 -7.419 6.647 168 HA3 GLY 23 HA3 GLY 23 -15.347 -7.464 6.127 169 H THR 24 H THR 24 -12.716 -5.601 4.755 170 HA THR 24 HA THR 24 -13.328 -6.678 2.183 171 HB THR 24 HB THR 24 -12.780 -4.323 2.278 172 HG1 THR 24 HG1 THR 24 -12.044 -5.043 0.369 173 HG21 THR 24 HG21 THR 24 -11.385 -4.262 4.295 174 HG22 THR 24 HG22 THR 24 -10.560 -3.469 2.954 175 HG23 THR 24 HG23 THR 24 -10.091 -5.101 3.439 176 H ASP 25 H ASP 25 -12.649 -8.631 1.668 177 HA ASP 25 HA ASP 25 -10.268 -9.754 2.806 178 HB2 ASP 25 HB2 ASP 25 -12.096 -11.279 2.247 179 HB3 ASP 25 HB3 ASP 25 -12.031 -10.773 0.557 180 H LEU 26 H LEU 26 -8.468 -8.939 2.260 181 HA LEU 26 HA LEU 26 -8.084 -7.872 -0.440 182 HB2 LEU 26 HB2 LEU 26 -7.786 -6.541 1.726 183 HB3 LEU 26 HB3 LEU 26 -6.368 -7.525 2.007 184 HG LEU 26 HG LEU 26 -5.442 -6.679 -0.151 185 HD11 LEU 26 HD11 LEU 26 -7.785 -4.789 0.025 186 HD12 LEU 26 HD12 LEU 26 -7.533 -6.026 -1.206 187 HD13 LEU 26 HD13 LEU 26 -6.431 -4.653 -1.100 188 HD21 LEU 26 HD21 LEU 26 -4.826 -4.507 0.769 189 HD22 LEU 26 HD22 LEU 26 -4.770 -5.767 2.001 190 HD23 LEU 26 HD23 LEU 26 -6.123 -4.639 1.952 191 H SER 27 H SER 27 -8.026 -10.698 0.325 192 HA SER 27 HA SER 27 -5.214 -11.416 0.178 193 HB2 SER 27 HB2 SER 27 -7.639 -13.184 0.430 194 HB3 SER 27 HB3 SER 27 -5.957 -13.604 0.776 195 HG SER 27 HG SER 27 -7.810 -12.223 2.245 196 H GLY 28 H GLY 28 -4.512 -12.915 -1.487 197 HA2 GLY 28 HA2 GLY 28 -4.763 -14.094 -3.478 198 HA3 GLY 28 HA3 GLY 28 -6.320 -13.312 -3.728 199 H ASP 29 H ASP 29 -5.971 -12.558 -5.713 200 HA ASP 29 HA ASP 29 -3.614 -10.919 -6.192 201 HB2 ASP 29 HB2 ASP 29 -5.805 -11.761 -8.114 202 HB3 ASP 29 HB3 ASP 29 -4.353 -10.867 -8.547 203 H PHE 30 H PHE 30 -4.404 -9.433 -4.625 204 HA PHE 30 HA PHE 30 -6.696 -7.843 -5.389 205 HB2 PHE 30 HB2 PHE 30 -6.407 -6.633 -3.323 206 HB3 PHE 30 HB3 PHE 30 -6.308 -8.358 -3.012 207 HD1 PHE 30 HD2 PHE 30 -4.031 -9.385 -2.702 208 HD2 PHE 30 HD1 PHE 30 -4.680 -5.189 -2.680 209 HE1 PHE 30 HE2 PHE 30 -1.876 -9.062 -1.582 210 HE2 PHE 30 HE1 PHE 30 -2.522 -4.863 -1.569 211 HZ PHE 30 HZ PHE 30 -1.194 -6.745 -0.894 212 H LEU 31 H LEU 31 -3.428 -7.811 -6.084 213 HA LEU 31 HA LEU 31 -2.749 -5.118 -6.035 214 HB2 LEU 31 HB2 LEU 31 -1.705 -7.335 -7.769 215 HB3 LEU 31 HB3 LEU 31 -1.107 -5.701 -7.906 216 HG LEU 31 HG LEU 31 -0.390 -5.830 -5.513 217 HD11 LEU 31 HD11 LEU 31 -1.071 -8.744 -5.801 218 HD12 LEU 31 HD12 LEU 31 -1.869 -7.580 -4.741 219 HD13 LEU 31 HD13 LEU 31 -0.179 -8.010 -4.466 220 HD21 LEU 31 HD21 LEU 31 1.167 -6.162 -7.329 221 HD22 LEU 31 HD22 LEU 31 0.757 -7.876 -7.393 222 HD23 LEU 31 HD23 LEU 31 1.564 -7.215 -5.972 223 H ASP 32 H ASP 32 -4.651 -6.809 -8.367 224 HA ASP 32 HA ASP 32 -4.552 -4.567 -10.222 225 HB2 ASP 32 HB2 ASP 32 -5.754 -6.019 -11.748 226 HB3 ASP 32 HB3 ASP 32 -4.306 -6.805 -11.131 227 H LEU 33 H LEU 33 -6.244 -5.080 -7.533 228 HA LEU 33 HA LEU 33 -8.884 -4.457 -8.542 229 HB2 LEU 33 HB2 LEU 33 -7.831 -4.671 -5.724 230 HB3 LEU 33 HB3 LEU 33 -9.501 -4.358 -6.136 231 HG LEU 33 HG LEU 33 -7.982 -6.884 -6.799 232 HD11 LEU 33 HD11 LEU 33 -10.138 -6.322 -4.782 233 HD12 LEU 33 HD12 LEU 33 -8.441 -6.663 -4.428 234 HD13 LEU 33 HD13 LEU 33 -9.465 -7.911 -5.152 235 HD21 LEU 33 HD21 LEU 33 -10.166 -7.748 -7.479 236 HD22 LEU 33 HD22 LEU 33 -9.685 -6.366 -8.461 237 HD23 LEU 33 HD23 LEU 33 -10.887 -6.166 -7.184 238 H ARG 34 H ARG 34 -9.919 -2.507 -8.228 239 HA ARG 34 HA ARG 34 -8.213 -0.163 -8.136 240 HB2 ARG 34 HB2 ARG 34 -11.214 -0.412 -8.183 241 HB3 ARG 34 HB3 ARG 34 -10.347 1.106 -8.244 242 HG2 ARG 34 HG2 ARG 34 -9.369 0.432 -10.388 243 HG3 ARG 34 HG3 ARG 34 -10.312 -1.068 -10.318 244 HD2 ARG 34 HD2 ARG 34 -12.376 0.182 -10.243 245 HD3 ARG 34 HD3 ARG 34 -11.489 1.699 -10.179 246 HE ARG 34 HE ARG 34 -10.902 0.114 -12.472 247 HH11 ARG 34 HH11 ARG 34 -13.210 2.577 -11.160 248 HH12 ARG 34 HH12 ARG 34 -13.615 3.119 -12.724 249 HH21 ARG 34 HH21 ARG 34 -11.560 1.000 -14.575 250 HH22 ARG 34 HH22 ARG 34 -12.721 2.264 -14.583 251 H PHE 35 H PHE 35 -7.894 1.187 -6.405 252 HA PHE 35 HA PHE 35 -8.561 0.478 -3.806 253 HB2 PHE 35 HB2 PHE 35 -7.893 3.195 -4.928 254 HB3 PHE 35 HB3 PHE 35 -8.187 2.930 -3.213 255 HD1 PHE 35 HD2 PHE 35 -6.777 1.036 -2.115 256 HD2 PHE 35 HD1 PHE 35 -5.745 2.996 -5.739 257 HE1 PHE 35 HE2 PHE 35 -4.433 0.379 -1.795 258 HE2 PHE 35 HE1 PHE 35 -3.396 2.339 -5.428 259 HZ PHE 35 HZ PHE 35 -2.737 1.034 -3.450 260 H GLU 36 H GLU 36 -10.303 2.682 -5.942 261 HA GLU 36 HA GLU 36 -12.421 3.407 -4.265 262 HB2 GLU 36 HB2 GLU 36 -13.717 3.794 -6.354 263 HB3 GLU 36 HB3 GLU 36 -12.110 4.504 -6.384 264 HG2 GLU 36 HG2 GLU 36 -11.293 2.744 -7.782 265 HG3 GLU 36 HG3 GLU 36 -12.817 1.872 -7.644 266 H ASP 37 H ASP 37 -11.804 0.443 -5.832 267 HA ASP 37 HA ASP 37 -14.539 -0.490 -5.727 268 HB2 ASP 37 HB2 ASP 37 -13.124 -1.048 -7.639 269 HB3 ASP 37 HB3 ASP 37 -12.002 -1.882 -6.572 270 H ILE 38 H ILE 38 -11.541 -0.895 -3.993 271 HA ILE 38 HA ILE 38 -12.769 -2.911 -2.293 272 HB ILE 38 HB ILE 38 -10.506 -3.117 -1.221 273 HG12 ILE 38 HG12 ILE 38 -9.663 -1.264 -3.472 274 HG13 ILE 38 HG13 ILE 38 -9.653 -0.867 -1.758 275 HG21 ILE 38 HG21 ILE 38 -11.216 -4.649 -2.954 276 HG22 ILE 38 HG22 ILE 38 -9.490 -4.316 -3.107 277 HG23 ILE 38 HG23 ILE 38 -10.637 -3.539 -4.197 278 HD11 ILE 38 HD11 ILE 38 -7.938 -2.577 -1.389 279 HD12 ILE 38 HD12 ILE 38 -7.422 -1.362 -2.557 280 HD13 ILE 38 HD13 ILE 38 -7.951 -2.952 -3.113 281 H GLY 39 H GLY 39 -13.226 0.089 -2.351 282 HA2 GLY 39 HA2 GLY 39 -14.064 1.580 -0.811 283 HA3 GLY 39 HA3 GLY 39 -13.924 0.304 0.386 284 H TYR 40 H TYR 40 -11.277 1.721 -1.483 285 HA TYR 40 HA TYR 40 -10.247 2.871 1.013 286 HB2 TYR 40 HB2 TYR 40 -8.766 1.804 -1.407 287 HB3 TYR 40 HB3 TYR 40 -8.017 2.911 -0.277 288 HD1 TYR 40 HD1 TYR 40 -10.065 -0.199 -0.042 289 HD2 TYR 40 HD2 TYR 40 -6.616 1.912 1.250 290 HE1 TYR 40 HE1 TYR 40 -9.449 -2.092 1.385 291 HE2 TYR 40 HE2 TYR 40 -5.983 0.026 2.683 292 HH TYR 40 HH TYR 40 -7.472 -3.020 2.445 293 H ASP 41 H ASP 41 -9.827 5.001 1.092 294 HA ASP 41 HA ASP 41 -10.945 6.537 -1.060 295 HB2 ASP 41 HB2 ASP 41 -10.553 8.440 0.478 296 HB3 ASP 41 HB3 ASP 41 -11.717 7.255 1.141 297 H SER 42 H SER 42 -8.147 7.120 0.895 298 HA SER 42 HA SER 42 -6.105 7.327 -0.912 299 HB2 SER 42 HB2 SER 42 -5.959 9.789 -1.277 300 HB3 SER 42 HB3 SER 42 -7.394 9.108 -2.054 301 H LEU 43 H LEU 43 -7.763 8.877 1.835 302 HA LEU 43 HA LEU 43 -5.384 9.625 3.187 303 HB2 LEU 43 HB2 LEU 43 -8.135 9.079 4.309 304 HB3 LEU 43 HB3 LEU 43 -6.818 9.821 5.197 305 HG LEU 43 HG LEU 43 -8.209 10.978 2.790 306 HD11 LEU 43 HD11 LEU 43 -8.232 11.775 5.690 307 HD12 LEU 43 HD12 LEU 43 -9.570 11.037 4.802 308 HD13 LEU 43 HD13 LEU 43 -9.011 12.654 4.374 309 HD21 LEU 43 HD21 LEU 43 -5.998 12.093 4.506 310 HD22 LEU 43 HD22 LEU 43 -6.848 12.957 3.223 311 HD23 LEU 43 HD23 LEU 43 -5.846 11.561 2.832 312 H ALA 44 H ALA 44 -7.572 6.872 3.490 313 HA ALA 44 HA ALA 44 -6.130 5.425 5.432 314 HB1 ALA 44 HB1 ALA 44 -7.448 3.495 4.506 315 HB2 ALA 44 HB2 ALA 44 -7.990 4.586 3.205 316 HB3 ALA 44 HB3 ALA 44 -8.431 4.920 4.859 317 H LEU 45 H LEU 45 -5.997 5.706 2.031 318 HA LEU 45 HA LEU 45 -4.184 3.630 1.420 319 HB2 LEU 45 HB2 LEU 45 -5.832 4.693 -0.051 320 HB3 LEU 45 HB3 LEU 45 -4.929 6.160 -0.124 321 HG LEU 45 HG LEU 45 -4.210 3.452 -1.286 322 HD11 LEU 45 HD11 LEU 45 -4.496 4.601 -3.411 323 HD12 LEU 45 HD12 LEU 45 -4.962 6.065 -2.546 324 HD13 LEU 45 HD13 LEU 45 -5.964 4.616 -2.436 325 HD21 LEU 45 HD21 LEU 45 -2.663 6.037 -1.526 326 HD22 LEU 45 HD22 LEU 45 -2.311 4.527 -2.377 327 HD23 LEU 45 HD23 LEU 45 -2.146 4.612 -0.621 328 H MET 46 H MET 46 -3.742 7.140 1.997 329 HA MET 46 HA MET 46 -0.933 7.229 1.655 330 HB2 MET 46 HB2 MET 46 -2.710 8.984 3.367 331 HB3 MET 46 HB3 MET 46 -1.019 9.310 3.040 332 HG2 MET 46 HG2 MET 46 -1.496 9.579 0.698 333 HG3 MET 46 HG3 MET 46 -3.180 9.136 0.969 334 HE1 MET 46 HE1 MET 46 -4.181 11.234 -0.148 335 HE2 MET 46 HE2 MET 46 -2.548 11.711 -0.618 336 HE3 MET 46 HE3 MET 46 -3.622 12.882 0.146 337 H GLU 47 H GLU 47 -2.990 6.641 4.420 338 HA GLU 47 HA GLU 47 -1.041 6.575 6.417 339 HB2 GLU 47 HB2 GLU 47 -3.555 6.634 6.637 340 HB3 GLU 47 HB3 GLU 47 -3.554 4.914 6.289 341 HG2 GLU 47 HG2 GLU 47 -2.096 4.570 8.257 342 HG3 GLU 47 HG3 GLU 47 -2.280 6.281 8.638 343 H THR 48 H THR 48 -2.193 4.181 4.155 344 HA THR 48 HA THR 48 -0.912 1.856 5.073 345 HB THR 48 HB THR 48 -1.516 2.752 2.237 346 HG1 THR 48 HG1 THR 48 -3.376 2.606 3.680 347 HG21 THR 48 HG21 THR 48 0.055 0.903 2.246 348 HG22 THR 48 HG22 THR 48 -1.535 0.355 1.697 349 HG23 THR 48 HG23 THR 48 -0.996 -0.008 3.334 350 H ALA 49 H ALA 49 0.029 4.142 2.530 351 HA ALA 49 HA ALA 49 2.577 3.176 1.998 352 HB1 ALA 49 HB1 ALA 49 1.570 6.004 1.739 353 HB2 ALA 49 HB2 ALA 49 1.365 4.725 0.543 354 HB3 ALA 49 HB3 ALA 49 2.979 5.326 0.928 355 H ALA 50 H ALA 50 1.547 5.735 4.222 356 HA ALA 50 HA ALA 50 4.037 6.619 5.075 357 HB1 ALA 50 HB1 ALA 50 1.487 6.552 6.679 358 HB2 ALA 50 HB2 ALA 50 1.939 7.801 5.517 359 HB3 ALA 50 HB3 ALA 50 2.889 7.578 6.982 360 H ARG 51 H ARG 51 2.105 3.928 6.252 361 HA ARG 51 HA ARG 51 3.630 3.334 8.549 362 HB2 ARG 51 HB2 ARG 51 1.375 2.381 8.019 363 HB3 ARG 51 HB3 ARG 51 2.126 1.397 6.774 364 HG2 ARG 51 HG2 ARG 51 3.524 0.334 8.513 365 HG3 ARG 51 HG3 ARG 51 2.647 1.255 9.734 366 HD2 ARG 51 HD2 ARG 51 0.538 0.216 8.855 367 HD3 ARG 51 HD3 ARG 51 1.550 -0.832 7.860 368 HE ARG 51 HE ARG 51 2.105 -0.757 10.687 369 HH11 ARG 51 HH11 ARG 51 0.509 -2.507 8.046 370 HH12 ARG 51 HH12 ARG 51 0.314 -3.955 8.942 371 HH21 ARG 51 HH21 ARG 51 1.799 -2.770 11.910 372 HH22 ARG 51 HH22 ARG 51 1.026 -4.081 11.152 373 H LEU 52 H LEU 52 3.761 2.139 5.229 374 HA LEU 52 HA LEU 52 5.958 0.411 5.675 375 HB2 LEU 52 HB2 LEU 52 5.085 1.520 2.987 376 HB3 LEU 52 HB3 LEU 52 6.011 0.056 3.312 377 HG LEU 52 HG LEU 52 3.127 0.452 4.043 378 HD11 LEU 52 HD11 LEU 52 2.716 -1.217 2.326 379 HD12 LEU 52 HD12 LEU 52 4.437 -1.247 1.952 380 HD13 LEU 52 HD13 LEU 52 3.495 0.216 1.637 381 HD21 LEU 52 HD21 LEU 52 3.210 -1.924 4.628 382 HD22 LEU 52 HD22 LEU 52 4.304 -0.973 5.632 383 HD23 LEU 52 HD23 LEU 52 4.943 -1.940 4.306 384 H GLU 53 H GLU 53 5.675 3.769 4.775 385 HA GLU 53 HA GLU 53 8.268 4.312 3.931 386 HB2 GLU 53 HB2 GLU 53 6.406 5.982 5.555 387 HB3 GLU 53 HB3 GLU 53 7.935 6.605 4.964 388 HG2 GLU 53 HG2 GLU 53 7.083 6.149 2.649 389 HG3 GLU 53 HG3 GLU 53 5.521 5.756 3.378 390 H SER 54 H SER 54 6.998 4.620 7.258 391 HA SER 54 HA SER 54 9.515 5.212 8.320 392 HB2 SER 54 HB2 SER 54 8.370 4.737 10.535 393 HB3 SER 54 HB3 SER 54 7.629 5.976 9.524 394 HG SER 54 HG SER 54 5.902 4.848 9.713 395 H ARG 55 H ARG 55 7.692 2.183 8.257 396 HA ARG 55 HA ARG 55 9.595 0.740 9.750 397 HB2 ARG 55 HB2 ARG 55 7.336 -0.072 9.664 398 HB3 ARG 55 HB3 ARG 55 7.410 -0.251 7.916 399 HG2 ARG 55 HG2 ARG 55 9.013 -2.046 8.126 400 HG3 ARG 55 HG3 ARG 55 9.080 -1.819 9.872 401 HD2 ARG 55 HD2 ARG 55 6.563 -2.560 8.383 402 HD3 ARG 55 HD3 ARG 55 7.672 -3.749 9.061 403 HE ARG 55 HE ARG 55 6.059 -1.806 10.559 404 HH11 ARG 55 HH11 ARG 55 7.864 -4.879 10.402 405 HH12 ARG 55 HH12 ARG 55 7.579 -5.306 12.020 406 HH21 ARG 55 HH21 ARG 55 5.542 -2.474 12.794 407 HH22 ARG 55 HH22 ARG 55 6.192 -3.931 13.400 408 H TYR 56 H TYR 56 9.291 1.096 6.217 409 HA TYR 56 HA TYR 56 11.550 -0.738 6.024 410 HB2 TYR 56 HB2 TYR 56 9.593 0.097 3.897 411 HB3 TYR 56 HB3 TYR 56 10.926 -1.026 3.632 412 HD1 TYR 56 HD2 TYR 56 10.991 -3.115 5.146 413 HD2 TYR 56 HD1 TYR 56 7.538 -0.690 4.669 414 HE1 TYR 56 HE2 TYR 56 9.603 -4.982 5.887 415 HE2 TYR 56 HE1 TYR 56 6.116 -2.558 5.395 416 HH TYR 56 HH TYR 56 7.430 -5.470 6.755 417 H GLY 57 H GLY 57 10.822 2.582 5.532 418 HA2 GLY 57 HA2 GLY 57 12.522 4.186 5.369 419 HA3 GLY 57 HA3 GLY 57 13.616 2.937 4.794 420 H VAL 58 H VAL 58 10.525 4.335 3.789 421 HA VAL 58 HA VAL 58 11.652 4.950 1.164 422 HB VAL 58 HB VAL 58 9.667 4.223 -0.038 423 HG11 VAL 58 HG11 VAL 58 11.329 2.514 0.268 424 HG12 VAL 58 HG12 VAL 58 9.691 1.829 0.254 425 HG13 VAL 58 HG13 VAL 58 10.545 2.054 1.785 426 HG21 VAL 58 HG21 VAL 58 8.532 3.313 2.604 427 HG22 VAL 58 HG22 VAL 58 7.805 3.030 1.020 428 HG23 VAL 58 HG23 VAL 58 7.965 4.674 1.636 429 H SER 59 H SER 59 9.971 6.455 -0.002 430 HA SER 59 HA SER 59 8.269 7.758 1.910 431 HB2 SER 59 HB2 SER 59 10.495 9.012 1.759 432 HB3 SER 59 HB3 SER 59 10.029 9.417 0.105 433 HG SER 59 HG SER 59 8.106 9.812 2.036 434 H ILE 60 H ILE 60 6.367 7.921 1.118 435 HA ILE 60 HA ILE 60 6.013 7.868 -1.798 436 HB ILE 60 HB ILE 60 4.094 6.787 0.294 437 HG12 ILE 60 HG12 ILE 60 6.052 5.326 0.107 438 HG13 ILE 60 HG13 ILE 60 4.634 4.544 -0.577 439 HG21 ILE 60 HG21 ILE 60 2.929 7.642 -1.658 440 HG22 ILE 60 HG22 ILE 60 2.831 5.880 -1.614 441 HG23 ILE 60 HG23 ILE 60 3.951 6.673 -2.720 442 HD11 ILE 60 HD11 ILE 60 6.624 4.147 -1.928 443 HD12 ILE 60 HD12 ILE 60 6.847 5.886 -2.128 444 HD13 ILE 60 HD13 ILE 60 5.435 5.092 -2.827 445 HA PRO 61 HA PRO 61 4.488 11.958 -0.738 446 HB2 PRO 61 HB2 PRO 61 4.061 12.067 -3.662 447 HB3 PRO 61 HB3 PRO 61 4.993 13.149 -2.619 448 HG2 PRO 61 HG2 PRO 61 6.194 11.446 -4.289 449 HG3 PRO 61 HG3 PRO 61 6.871 11.805 -2.686 450 HD2 PRO 61 HD2 PRO 61 5.315 9.420 -3.600 451 HD3 PRO 61 HD3 PRO 61 6.737 9.496 -2.540 452 H ASP 62 H ASP 62 2.502 12.735 -0.426 453 HA ASP 62 HA ASP 62 0.200 11.192 -0.556 454 HB2 ASP 62 HB2 ASP 62 -1.050 13.219 0.044 455 HB3 ASP 62 HB3 ASP 62 0.431 13.098 0.979 456 H ASP 63 H ASP 63 1.509 13.336 -2.944 457 HA ASP 63 HA ASP 63 -0.829 13.630 -4.550 458 HB2 ASP 63 HB2 ASP 63 1.099 15.157 -4.656 459 HB3 ASP 63 HB3 ASP 63 2.099 13.860 -5.284 460 H VAL 64 H VAL 64 1.759 11.318 -4.393 461 HA VAL 64 HA VAL 64 1.100 9.896 -6.817 462 HB VAL 64 HB VAL 64 2.716 8.973 -4.429 463 HG11 VAL 64 HG11 VAL 64 3.790 7.458 -6.035 464 HG12 VAL 64 HG12 VAL 64 2.717 8.050 -7.302 465 HG13 VAL 64 HG13 VAL 64 2.054 7.166 -5.927 466 HG21 VAL 64 HG21 VAL 64 4.700 9.692 -5.681 467 HG22 VAL 64 HG22 VAL 64 3.639 11.043 -5.283 468 HG23 VAL 64 HG23 VAL 64 3.653 10.385 -6.919 469 H ALA 65 H ALA 65 0.584 9.494 -3.380 470 HA ALA 65 HA ALA 65 -0.706 7.031 -3.361 471 HB1 ALA 65 HB1 ALA 65 -1.206 9.362 -1.517 472 HB2 ALA 65 HB2 ALA 65 0.100 8.191 -1.356 473 HB3 ALA 65 HB3 ALA 65 -1.579 7.669 -1.182 474 H GLY 66 H GLY 66 -2.031 10.234 -3.999 475 HA2 GLY 66 HA2 GLY 66 -4.737 9.182 -4.209 476 HA3 GLY 66 HA3 GLY 66 -4.246 10.852 -4.453 477 H ARG 67 H ARG 67 -2.166 8.990 -6.186 478 HA ARG 67 HA ARG 67 -3.701 9.450 -8.646 479 HB2 ARG 67 HB2 ARG 67 -1.581 10.680 -8.421 480 HB3 ARG 67 HB3 ARG 67 -0.724 9.153 -8.266 481 HG2 ARG 67 HG2 ARG 67 -1.405 8.547 -10.532 482 HG3 ARG 67 HG3 ARG 67 -2.255 10.088 -10.684 483 HD2 ARG 67 HD2 ARG 67 -0.115 10.280 -11.741 484 HD3 ARG 67 HD3 ARG 67 -0.118 11.253 -10.276 485 HE ARG 67 HE ARG 67 1.061 8.560 -10.357 486 HH11 ARG 67 HH11 ARG 67 1.275 11.991 -9.526 487 HH12 ARG 67 HH12 ARG 67 2.858 11.915 -8.916 488 HH21 ARG 67 HH21 ARG 67 3.287 8.435 -9.538 489 HH22 ARG 67 HH22 ARG 67 4.050 9.862 -8.985 490 H VAL 68 H VAL 68 -2.006 7.020 -6.804 491 HA VAL 68 HA VAL 68 -1.882 5.121 -8.930 492 HB VAL 68 HB VAL 68 -1.233 3.468 -7.115 493 HG11 VAL 68 HG11 VAL 68 0.285 6.074 -7.200 494 HG12 VAL 68 HG12 VAL 68 0.446 4.734 -8.340 495 HG13 VAL 68 HG13 VAL 68 0.921 4.522 -6.652 496 HG21 VAL 68 HG21 VAL 68 -1.403 5.913 -5.352 497 HG22 VAL 68 HG22 VAL 68 -0.690 4.370 -4.897 498 HG23 VAL 68 HG23 VAL 68 -2.428 4.476 -5.218 499 H ASP 69 H ASP 69 -3.243 3.633 -9.560 500 HA ASP 69 HA ASP 69 -5.985 3.827 -8.592 501 HB2 ASP 69 HB2 ASP 69 -4.869 2.223 -10.892 502 HB3 ASP 69 HB3 ASP 69 -6.567 2.446 -10.525 503 H THR 70 H THR 70 -3.447 1.375 -8.771 504 HA THR 70 HA THR 70 -5.248 -0.486 -7.401 505 HB THR 70 HB THR 70 -4.032 -2.285 -8.617 506 HG1 THR 70 HG1 THR 70 -2.899 -1.287 -10.623 507 HG21 THR 70 HG21 THR 70 -5.073 -1.929 -10.830 508 HG22 THR 70 HG22 THR 70 -5.307 -0.226 -10.435 509 HG23 THR 70 HG23 THR 70 -6.169 -1.466 -9.528 510 HA PRO 71 HA PRO 71 -2.073 -0.906 -4.275 511 HB2 PRO 71 HB2 PRO 71 -2.406 -3.860 -4.487 512 HB3 PRO 71 HB3 PRO 71 -2.550 -2.798 -3.092 513 HG2 PRO 71 HG2 PRO 71 -4.726 -3.809 -4.233 514 HG3 PRO 71 HG3 PRO 71 -4.705 -2.157 -3.586 515 HD2 PRO 71 HD2 PRO 71 -4.518 -3.087 -6.418 516 HD3 PRO 71 HD3 PRO 71 -5.385 -1.692 -5.745 517 H ARG 72 H ARG 72 -1.919 -2.823 -7.217 518 HA ARG 72 HA ARG 72 0.655 -3.876 -7.108 519 HB2 ARG 72 HB2 ARG 72 -1.072 -4.186 -8.959 520 HB3 ARG 72 HB3 ARG 72 -0.516 -2.647 -9.601 521 HG2 ARG 72 HG2 ARG 72 1.806 -3.654 -9.619 522 HG3 ARG 72 HG3 ARG 72 1.028 -5.206 -9.315 523 HD2 ARG 72 HD2 ARG 72 0.748 -3.408 -11.703 524 HD3 ARG 72 HD3 ARG 72 1.359 -5.059 -11.646 525 HE ARG 72 HE ARG 72 -1.442 -4.214 -11.450 526 HH11 ARG 72 HH11 ARG 72 0.837 -6.925 -11.672 527 HH12 ARG 72 HH12 ARG 72 -0.290 -7.985 -12.371 528 HH21 ARG 72 HH21 ARG 72 -2.920 -5.584 -12.397 529 HH22 ARG 72 HH22 ARG 72 -2.550 -7.204 -12.815 530 H GLU 73 H GLU 73 -0.464 -0.717 -8.165 531 HA GLU 73 HA GLU 73 1.946 0.395 -9.073 532 HB2 GLU 73 HB2 GLU 73 -0.346 1.837 -7.739 533 HB3 GLU 73 HB3 GLU 73 0.827 2.521 -8.847 534 HG2 GLU 73 HG2 GLU 73 -1.218 0.435 -9.563 535 HG3 GLU 73 HG3 GLU 73 -1.392 2.161 -9.837 536 H LEU 74 H LEU 74 0.346 0.406 -5.940 537 HA LEU 74 HA LEU 74 2.174 2.158 -4.659 538 HB2 LEU 74 HB2 LEU 74 -0.222 1.711 -4.014 539 HB3 LEU 74 HB3 LEU 74 0.275 0.159 -3.385 540 HG LEU 74 HG LEU 74 -0.152 1.853 -1.633 541 HD11 LEU 74 HD11 LEU 74 1.368 0.069 -1.078 542 HD12 LEU 74 HD12 LEU 74 1.860 1.573 -0.299 543 HD13 LEU 74 HD13 LEU 74 2.722 0.996 -1.725 544 HD21 LEU 74 HD21 LEU 74 0.509 3.848 -2.821 545 HD22 LEU 74 HD22 LEU 74 2.187 3.310 -2.837 546 HD23 LEU 74 HD23 LEU 74 1.409 3.718 -1.308 547 H LEU 75 H LEU 75 1.807 -1.369 -4.727 548 HA LEU 75 HA LEU 75 3.941 -2.044 -3.038 549 HB2 LEU 75 HB2 LEU 75 2.218 -3.628 -3.881 550 HB3 LEU 75 HB3 LEU 75 2.982 -3.581 -5.456 551 HG LEU 75 HG LEU 75 5.032 -4.546 -4.485 552 HD11 LEU 75 HD11 LEU 75 4.969 -5.485 -2.226 553 HD12 LEU 75 HD12 LEU 75 3.390 -4.737 -1.971 554 HD13 LEU 75 HD13 LEU 75 4.814 -3.728 -2.222 555 HD21 LEU 75 HD21 LEU 75 3.368 -6.018 -5.489 556 HD22 LEU 75 HD22 LEU 75 2.528 -6.136 -3.943 557 HD23 LEU 75 HD23 LEU 75 4.151 -6.802 -4.116 558 H ASP 76 H ASP 76 3.804 -1.473 -6.496 559 HA ASP 76 HA ASP 76 6.459 -2.002 -7.198 560 HB2 ASP 76 HB2 ASP 76 4.722 -1.739 -8.874 561 HB3 ASP 76 HB3 ASP 76 4.457 -0.073 -8.384 562 H LEU 77 H LEU 77 4.891 0.971 -6.149 563 HA LEU 77 HA LEU 77 7.013 2.762 -6.375 564 HB2 LEU 77 HB2 LEU 77 4.856 2.654 -4.274 565 HB3 LEU 77 HB3 LEU 77 5.878 4.040 -4.542 566 HG LEU 77 HG LEU 77 3.903 2.922 -6.514 567 HD11 LEU 77 HD11 LEU 77 2.835 3.902 -4.570 568 HD12 LEU 77 HD12 LEU 77 2.617 4.929 -5.986 569 HD13 LEU 77 HD13 LEU 77 3.807 5.360 -4.756 570 HD21 LEU 77 HD21 LEU 77 4.335 4.987 -7.753 571 HD22 LEU 77 HD22 LEU 77 5.798 4.014 -7.599 572 HD23 LEU 77 HD23 LEU 77 5.573 5.435 -6.578 573 H ILE 78 H ILE 78 6.040 0.772 -3.634 574 HA ILE 78 HA ILE 78 8.104 1.479 -1.850 575 HB ILE 78 HB ILE 78 6.659 -1.185 -2.024 576 HG12 ILE 78 HG12 ILE 78 5.045 0.671 -1.857 577 HG13 ILE 78 HG13 ILE 78 5.069 -0.282 -0.383 578 HG21 ILE 78 HG21 ILE 78 8.083 0.153 0.270 579 HG22 ILE 78 HG22 ILE 78 8.627 -1.269 -0.616 580 HG23 ILE 78 HG23 ILE 78 7.170 -1.352 0.376 581 HD11 ILE 78 HD11 ILE 78 6.433 1.440 0.694 582 HD12 ILE 78 HD12 ILE 78 4.905 2.089 0.098 583 HD13 ILE 78 HD13 ILE 78 6.399 2.389 -0.791 584 H ASN 79 H ASN 79 7.753 -1.412 -3.896 585 HA ASN 79 HA ASN 79 10.197 -2.639 -3.409 586 HB2 ASN 79 HB2 ASN 79 8.261 -2.778 -5.677 587 HB3 ASN 79 HB3 ASN 79 9.843 -3.508 -5.893 588 HD21 ASN 79 HD21 ASN 79 6.894 -3.628 -4.045 589 HD22 ASN 79 HD22 ASN 79 7.118 -5.249 -3.457 590 H GLY 80 H GLY 80 9.463 -0.260 -5.931 591 HA2 GLY 80 HA2 GLY 80 12.024 -0.302 -7.103 592 HA3 GLY 80 HA3 GLY 80 10.847 0.997 -7.245 593 H ALA 81 H ALA 81 10.638 1.661 -4.517 594 HA ALA 81 HA ALA 81 12.809 3.475 -4.334 595 HB1 ALA 81 HB1 ALA 81 10.538 4.035 -3.572 596 HB2 ALA 81 HB2 ALA 81 11.742 4.260 -2.301 597 HB3 ALA 81 HB3 ALA 81 10.697 2.845 -2.280 598 H LEU 82 H LEU 82 11.859 0.631 -2.451 599 HA LEU 82 HA LEU 82 13.918 0.748 -0.559 600 HB2 LEU 82 HB2 LEU 82 12.236 -1.500 -1.581 601 HB3 LEU 82 HB3 LEU 82 13.494 -1.784 -0.396 602 HG LEU 82 HG LEU 82 11.178 0.112 0.001 603 HD11 LEU 82 HD11 LEU 82 10.423 -2.218 -0.107 604 HD12 LEU 82 HD12 LEU 82 10.319 -1.586 1.539 605 HD13 LEU 82 HD13 LEU 82 11.638 -2.666 1.092 606 HD21 LEU 82 HD21 LEU 82 11.929 0.101 2.320 607 HD22 LEU 82 HD22 LEU 82 13.180 0.710 1.237 608 HD23 LEU 82 HD23 LEU 82 13.288 -0.931 1.877 609 H ALA 83 H ALA 83 13.782 -0.954 -3.644 610 HA ALA 83 HA ALA 83 16.342 -2.137 -3.477 611 HB1 ALA 83 HB1 ALA 83 14.599 -2.904 -5.022 612 HB2 ALA 83 HB2 ALA 83 16.118 -2.539 -5.853 613 HB3 ALA 83 HB3 ALA 83 14.776 -1.398 -5.930 614 H GLU 84 H GLU 84 15.468 1.076 -3.864 615 HA GLU 84 HA GLU 84 18.044 1.779 -5.095 616 HB2 GLU 84 HB2 GLU 84 15.982 2.282 -6.432 617 HB3 GLU 84 HB3 GLU 84 15.420 3.298 -5.120 618 HG2 GLU 84 HG2 GLU 84 17.320 4.766 -5.449 619 HG3 GLU 84 HG3 GLU 84 17.895 3.749 -6.769 620 H ALA 85 H ALA 85 16.974 1.314 -2.218 621 HA ALA 85 HA ALA 85 17.561 3.971 -1.134 622 HB1 ALA 85 HB1 ALA 85 16.392 3.256 0.879 623 HB2 ALA 85 HB2 ALA 85 16.114 1.667 0.165 624 HB3 ALA 85 HB3 ALA 85 15.353 3.093 -0.539 625 H ALA 86 H ALA 86 18.779 4.023 0.825 626 HA ALA 86 HA ALA 86 20.446 1.722 1.361 627 HB1 ALA 86 HB1 ALA 86 22.470 3.135 1.316 628 HB2 ALA 86 HB2 ALA 86 21.503 4.486 0.719 629 HB3 ALA 86 HB3 ALA 86 21.706 3.042 -0.272 630 H28 SXA 87 H28A SXA 87 -9.090 13.049 0.921 631 H28A SXA 87 H28B SXA 87 -7.463 12.386 1.040 632 H30 SXA 87 H30A SXA 87 -5.701 15.374 -0.099 633 H30A SXA 87 H30B SXA 87 -6.211 14.034 -1.136 634 H30B SXA 87 H30C SXA 87 -5.534 13.712 0.462 635 H31 SXA 87 H31A SXA 87 -9.417 15.417 0.096 636 H31A SXA 87 H31B SXA 87 -8.472 15.054 -1.350 637 H31B SXA 87 H31C SXA 87 -8.007 16.398 -0.307 638 H32 SXA 87 H32A SXA 87 -6.838 14.306 2.579 639 HO33 SXA 87 H33A SXA 87 -8.933 15.922 2.671 640 HN36 SXA 87 H36A SXA 87 -5.078 15.835 1.832 641 H37 SXA 87 H37A SXA 87 -5.271 18.492 1.182 642 H37A SXA 87 H37B SXA 87 -5.438 18.465 2.938 643 H38 SXA 87 H38A SXA 87 -3.097 17.334 1.367 644 H38A SXA 87 H38B SXA 87 -3.140 18.913 2.101 645 HN41 SXA 87 H41A SXA 87 -4.795 16.880 4.115 646 H42 SXA 87 H42A SXA 87 -3.328 15.202 5.481 647 H42A SXA 87 H42B SXA 87 -2.653 16.733 6.077 648 H43 SXA 87 H43A SXA 87 -5.579 15.976 6.105 649 H43A SXA 87 H43B SXA 87 -4.830 17.321 7.008 650 H2 SXA 87 H2C SXA 87 -3.217 12.535 8.130 651 H2A SXA 87 H2A SXA 87 -4.452 11.605 7.277 652 H2B SXA 87 H2B SXA 87 -4.861 12.445 8.778 Start of MODEL 17 1 H1 MET 1 H1 MET 1 16.700 -8.111 -6.644 2 H2 MET 1 H2 MET 1 16.319 -6.533 -6.112 3 H3 MET 1 H3 MET 1 15.539 -7.852 -5.429 4 HA MET 1 HA MET 1 17.504 -8.639 -4.422 5 HB2 MET 1 HB2 MET 1 19.515 -7.279 -4.383 6 HB3 MET 1 HB3 MET 1 19.110 -7.592 -6.062 7 HG2 MET 1 HG2 MET 1 18.138 -5.364 -6.246 8 HG3 MET 1 HG3 MET 1 18.518 -5.059 -4.553 9 HE1 MET 1 HE1 MET 1 19.317 -3.100 -6.826 10 HE2 MET 1 HE2 MET 1 20.980 -2.714 -6.387 11 HE3 MET 1 HE3 MET 1 19.747 -2.856 -5.133 12 H ALA 2 H ALA 2 18.183 -7.622 -2.319 13 HA ALA 2 HA ALA 2 17.610 -6.684 -0.376 14 HB1 ALA 2 HB1 ALA 2 16.225 -4.530 -2.013 15 HB2 ALA 2 HB2 ALA 2 17.908 -4.484 -1.491 16 HB3 ALA 2 HB3 ALA 2 16.615 -4.432 -0.295 17 H THR 3 H THR 3 15.530 -6.021 0.961 18 HA THR 3 HA THR 3 13.626 -8.093 0.378 19 HB THR 3 HB THR 3 13.531 -5.934 2.513 20 HG1 THR 3 HG1 THR 3 15.411 -7.085 2.744 21 HG21 THR 3 HG21 THR 3 12.113 -7.546 3.707 22 HG22 THR 3 HG22 THR 3 12.239 -8.671 2.353 23 HG23 THR 3 HG23 THR 3 11.407 -7.127 2.145 24 H LEU 4 H LEU 4 12.309 -7.644 -1.272 25 HA LEU 4 HA LEU 4 11.174 -4.961 -1.471 26 HB2 LEU 4 HB2 LEU 4 11.136 -7.233 -3.470 27 HB3 LEU 4 HB3 LEU 4 10.419 -5.655 -3.725 28 HG LEU 4 HG LEU 4 13.357 -6.293 -3.480 29 HD11 LEU 4 HD11 LEU 4 12.396 -6.875 -5.623 30 HD12 LEU 4 HD12 LEU 4 13.464 -5.481 -5.775 31 HD13 LEU 4 HD13 LEU 4 11.714 -5.255 -5.776 32 HD21 LEU 4 HD21 LEU 4 12.883 -4.155 -2.399 33 HD22 LEU 4 HD22 LEU 4 12.021 -3.611 -3.838 34 HD23 LEU 4 HD23 LEU 4 13.757 -3.915 -3.912 35 H LEU 5 H LEU 5 8.878 -4.797 -1.681 36 HA LEU 5 HA LEU 5 7.727 -6.644 0.183 37 HB2 LEU 5 HB2 LEU 5 6.418 -4.288 -1.137 38 HB3 LEU 5 HB3 LEU 5 5.748 -5.238 0.170 39 HG LEU 5 HG LEU 5 7.962 -3.252 0.218 40 HD11 LEU 5 HD11 LEU 5 5.730 -2.477 0.641 41 HD12 LEU 5 HD12 LEU 5 6.693 -2.397 2.117 42 HD13 LEU 5 HD13 LEU 5 5.515 -3.691 1.902 43 HD21 LEU 5 HD21 LEU 5 8.897 -5.229 1.301 44 HD22 LEU 5 HD22 LEU 5 7.466 -5.356 2.326 45 HD23 LEU 5 HD23 LEU 5 8.547 -3.973 2.490 46 H THR 6 H THR 6 6.092 -7.964 -0.073 47 HA THR 6 HA THR 6 5.413 -8.638 -2.835 48 HB THR 6 HB THR 6 4.864 -10.885 -1.910 49 HG1 THR 6 HG1 THR 6 5.847 -9.716 0.532 50 HG21 THR 6 HG21 THR 6 7.094 -10.482 -2.858 51 HG22 THR 6 HG22 THR 6 7.187 -11.609 -1.504 52 HG23 THR 6 HG23 THR 6 7.667 -9.925 -1.286 53 H THR 7 H THR 7 3.143 -9.982 -2.693 54 HA THR 7 HA THR 7 1.028 -8.315 -2.158 55 HB THR 7 HB THR 7 1.092 -11.349 -2.069 56 HG1 THR 7 HG1 THR 7 1.073 -11.287 -4.188 57 HG21 THR 7 HG21 THR 7 -1.057 -10.435 -1.221 58 HG22 THR 7 HG22 THR 7 -1.279 -11.223 -2.770 59 HG23 THR 7 HG23 THR 7 -1.216 -9.465 -2.683 60 H ASP 8 H ASP 8 2.564 -10.715 -0.025 61 HA ASP 8 HA ASP 8 0.824 -10.649 2.157 62 HB2 ASP 8 HB2 ASP 8 3.801 -11.124 2.032 63 HB3 ASP 8 HB3 ASP 8 2.911 -11.198 3.542 64 H ASP 9 H ASP 9 3.704 -8.714 1.554 65 HA ASP 9 HA ASP 9 3.686 -7.245 3.975 66 HB2 ASP 9 HB2 ASP 9 4.779 -6.425 1.283 67 HB3 ASP 9 HB3 ASP 9 5.160 -5.642 2.805 68 H LEU 10 H LEU 10 2.516 -6.534 0.762 69 HA LEU 10 HA LEU 10 1.578 -3.942 1.201 70 HB2 LEU 10 HB2 LEU 10 1.955 -5.067 -0.984 71 HB3 LEU 10 HB3 LEU 10 0.524 -6.028 -0.700 72 HG LEU 10 HG LEU 10 -0.839 -3.962 -0.734 73 HD11 LEU 10 HD11 LEU 10 0.879 -2.368 -0.044 74 HD12 LEU 10 HD12 LEU 10 0.164 -1.896 -1.585 75 HD13 LEU 10 HD13 LEU 10 1.756 -2.649 -1.549 76 HD21 LEU 10 HD21 LEU 10 -0.570 -5.325 -2.727 77 HD22 LEU 10 HD22 LEU 10 0.895 -4.439 -3.151 78 HD23 LEU 10 HD23 LEU 10 -0.665 -3.616 -3.148 79 H ARG 11 H ARG 11 -0.141 -7.055 1.228 80 HA ARG 11 HA ARG 11 -2.675 -6.173 1.884 81 HB2 ARG 11 HB2 ARG 11 -2.135 -8.451 1.158 82 HB3 ARG 11 HB3 ARG 11 -1.378 -8.758 2.715 83 HG2 ARG 11 HG2 ARG 11 -3.488 -8.496 3.842 84 HG3 ARG 11 HG3 ARG 11 -4.272 -8.053 2.325 85 HD2 ARG 11 HD2 ARG 11 -4.735 -10.344 2.810 86 HD3 ARG 11 HD3 ARG 11 -3.661 -10.250 1.408 87 HE ARG 11 HE ARG 11 -2.880 -10.971 4.136 88 HH11 ARG 11 HH11 ARG 11 -2.235 -11.072 0.646 89 HH12 ARG 11 HH12 ARG 11 -1.158 -12.390 0.723 90 HH21 ARG 11 HH21 ARG 11 -1.442 -12.918 4.208 91 HH22 ARG 11 HH22 ARG 11 -0.777 -13.490 2.775 92 H ARG 12 H ARG 12 -0.061 -7.146 4.055 93 HA ARG 12 HA ARG 12 -1.417 -6.927 6.471 94 HB2 ARG 12 HB2 ARG 12 1.492 -6.476 5.830 95 HB3 ARG 12 HB3 ARG 12 0.857 -6.534 7.471 96 HG2 ARG 12 HG2 ARG 12 0.138 -8.802 7.166 97 HG3 ARG 12 HG3 ARG 12 0.593 -8.751 5.464 98 HD2 ARG 12 HD2 ARG 12 2.927 -8.467 6.089 99 HD3 ARG 12 HD3 ARG 12 2.480 -8.465 7.796 100 HE ARG 12 HE ARG 12 1.439 -10.763 6.940 101 HH11 ARG 12 HH11 ARG 12 4.734 -9.426 6.544 102 HH12 ARG 12 HH12 ARG 12 5.482 -10.950 6.568 103 HH21 ARG 12 HH21 ARG 12 2.476 -12.813 6.836 104 HH22 ARG 12 HH22 ARG 12 4.174 -12.949 6.736 105 H ALA 13 H ALA 13 0.219 -4.449 4.600 106 HA ALA 13 HA ALA 13 -0.144 -2.385 6.514 107 HB1 ALA 13 HB1 ALA 13 1.570 -2.265 4.770 108 HB2 ALA 13 HB2 ALA 13 0.487 -0.874 4.704 109 HB3 ALA 13 HB3 ALA 13 0.307 -2.186 3.541 110 H LEU 14 H LEU 14 -1.928 -3.398 3.619 111 HA LEU 14 HA LEU 14 -3.795 -1.309 3.783 112 HB2 LEU 14 HB2 LEU 14 -3.740 -3.836 2.201 113 HB3 LEU 14 HB3 LEU 14 -5.252 -2.967 2.334 114 HG LEU 14 HG LEU 14 -4.093 -0.950 1.405 115 HD11 LEU 14 HD11 LEU 14 -2.043 -1.237 0.159 116 HD12 LEU 14 HD12 LEU 14 -1.878 -2.872 0.803 117 HD13 LEU 14 HD13 LEU 14 -1.811 -1.481 1.887 118 HD21 LEU 14 HD21 LEU 14 -5.513 -2.312 0.020 119 HD22 LEU 14 HD22 LEU 14 -4.172 -3.405 -0.324 120 HD23 LEU 14 HD23 LEU 14 -4.126 -1.740 -0.909 121 H VAL 15 H VAL 15 -3.968 -4.589 5.067 122 HA VAL 15 HA VAL 15 -6.646 -4.418 5.938 123 HB VAL 15 HB VAL 15 -4.383 -5.970 7.267 124 HG11 VAL 15 HG11 VAL 15 -6.164 -7.398 8.161 125 HG12 VAL 15 HG12 VAL 15 -7.372 -6.327 7.452 126 HG13 VAL 15 HG13 VAL 15 -6.311 -5.737 8.732 127 HG21 VAL 15 HG21 VAL 15 -5.199 -7.889 5.987 128 HG22 VAL 15 HG22 VAL 15 -4.663 -6.588 4.922 129 HG23 VAL 15 HG23 VAL 15 -6.386 -6.858 5.190 130 H GLU 16 H GLU 16 -3.644 -3.574 7.566 131 HA GLU 16 HA GLU 16 -4.701 -2.723 10.024 132 HB2 GLU 16 HB2 GLU 16 -2.171 -2.124 8.543 133 HB3 GLU 16 HB3 GLU 16 -2.521 -1.387 10.099 134 HG2 GLU 16 HG2 GLU 16 -2.548 -4.354 9.679 135 HG3 GLU 16 HG3 GLU 16 -1.090 -3.458 10.110 136 H SER 17 H SER 17 -3.992 -0.892 7.053 137 HA SER 17 HA SER 17 -4.731 1.565 8.305 138 HB2 SER 17 HB2 SER 17 -2.976 1.402 6.518 139 HB3 SER 17 HB3 SER 17 -4.246 1.034 5.359 140 HG SER 17 HG SER 17 -4.590 3.340 6.882 141 H ALA 18 H ALA 18 -6.377 -0.883 6.447 142 HA ALA 18 HA ALA 18 -8.703 0.655 5.902 143 HB1 ALA 18 HB1 ALA 18 -8.415 -2.346 6.236 144 HB2 ALA 18 HB2 ALA 18 -8.247 -1.463 4.719 145 HB3 ALA 18 HB3 ALA 18 -9.809 -1.521 5.535 146 H GLY 19 H GLY 19 -7.657 -1.460 8.535 147 HA2 GLY 19 HA2 GLY 19 -8.293 -0.161 10.654 148 HA3 GLY 19 HA3 GLY 19 -9.921 -0.492 10.094 149 H GLU 20 H GLU 20 -10.710 -1.859 11.405 150 HA GLU 20 HA GLU 20 -9.093 -4.109 12.336 151 HB2 GLU 20 HB2 GLU 20 -10.903 -4.366 14.048 152 HB3 GLU 20 HB3 GLU 20 -10.050 -2.831 14.143 153 HG2 GLU 20 HG2 GLU 20 -11.885 -1.720 12.994 154 HG3 GLU 20 HG3 GLU 20 -12.726 -3.256 12.823 155 H THR 21 H THR 21 -11.213 -3.322 10.085 156 HA THR 21 HA THR 21 -11.928 -6.077 9.491 157 HB THR 21 HB THR 21 -14.063 -3.958 9.897 158 HG1 THR 21 HG1 THR 21 -12.973 -5.888 11.504 159 HG21 THR 21 HG21 THR 21 -14.291 -6.866 9.093 160 HG22 THR 21 HG22 THR 21 -14.585 -5.479 8.045 161 HG23 THR 21 HG23 THR 21 -15.645 -5.785 9.423 162 H ASP 22 H ASP 22 -11.083 -6.078 7.468 163 HA ASP 22 HA ASP 22 -11.504 -3.864 5.656 164 HB2 ASP 22 HB2 ASP 22 -10.320 -5.177 3.978 165 HB3 ASP 22 HB3 ASP 22 -9.440 -5.332 5.487 166 H GLY 23 H GLY 23 -13.097 -3.744 4.115 167 HA2 GLY 23 HA2 GLY 23 -15.161 -5.829 4.378 168 HA3 GLY 23 HA3 GLY 23 -15.495 -4.127 4.070 169 H THR 24 H THR 24 -13.408 -6.623 2.667 170 HA THR 24 HA THR 24 -14.703 -6.516 0.162 171 HB THR 24 HB THR 24 -13.439 -4.355 0.105 172 HG1 THR 24 HG1 THR 24 -13.369 -4.803 -1.897 173 HG21 THR 24 HG21 THR 24 -11.595 -4.930 1.599 174 HG22 THR 24 HG22 THR 24 -10.966 -4.369 0.049 175 HG23 THR 24 HG23 THR 24 -10.982 -6.093 0.423 176 H ASP 25 H ASP 25 -12.488 -7.486 -1.308 177 HA ASP 25 HA ASP 25 -11.639 -9.772 0.322 178 HB2 ASP 25 HB2 ASP 25 -13.075 -10.418 -1.636 179 HB3 ASP 25 HB3 ASP 25 -11.859 -9.715 -2.705 180 H LEU 26 H LEU 26 -9.884 -8.909 1.140 181 HA LEU 26 HA LEU 26 -7.994 -7.534 -0.626 182 HB2 LEU 26 HB2 LEU 26 -9.013 -6.388 1.356 183 HB3 LEU 26 HB3 LEU 26 -8.207 -7.552 2.379 184 HG LEU 26 HG LEU 26 -6.022 -6.681 1.591 185 HD11 LEU 26 HD11 LEU 26 -5.976 -4.582 0.344 186 HD12 LEU 26 HD12 LEU 26 -7.733 -4.631 0.188 187 HD13 LEU 26 HD13 LEU 26 -6.743 -5.864 -0.593 188 HD21 LEU 26 HD21 LEU 26 -7.065 -5.848 3.637 189 HD22 LEU 26 HD22 LEU 26 -7.901 -4.605 2.702 190 HD23 LEU 26 HD23 LEU 26 -6.142 -4.590 2.821 191 H SER 27 H SER 27 -8.485 -10.512 0.709 192 HA SER 27 HA SER 27 -5.637 -10.941 1.061 193 HB2 SER 27 HB2 SER 27 -6.378 -13.071 2.195 194 HB3 SER 27 HB3 SER 27 -6.641 -11.561 3.064 195 HG SER 27 HG SER 27 -8.792 -11.582 2.457 196 H GLY 28 H GLY 28 -4.794 -13.092 0.380 197 HA2 GLY 28 HA2 GLY 28 -4.588 -14.720 -1.235 198 HA3 GLY 28 HA3 GLY 28 -6.138 -14.217 -1.914 199 H ASP 29 H ASP 29 -6.234 -12.454 -3.275 200 HA ASP 29 HA ASP 29 -3.776 -11.167 -4.087 201 HB2 ASP 29 HB2 ASP 29 -3.811 -13.034 -5.605 202 HB3 ASP 29 HB3 ASP 29 -5.516 -12.791 -5.948 203 H PHE 30 H PHE 30 -4.118 -9.167 -4.845 204 HA PHE 30 HA PHE 30 -6.794 -8.128 -5.312 205 HB2 PHE 30 HB2 PHE 30 -6.773 -6.570 -3.414 206 HB3 PHE 30 HB3 PHE 30 -6.718 -8.234 -2.849 207 HD1 PHE 30 HD2 PHE 30 -4.483 -9.168 -2.091 208 HD2 PHE 30 HD1 PHE 30 -5.109 -5.028 -2.813 209 HE1 PHE 30 HE2 PHE 30 -2.483 -8.637 -0.777 210 HE2 PHE 30 HE1 PHE 30 -3.105 -4.497 -1.500 211 HZ PHE 30 HZ PHE 30 -1.793 -6.302 -0.482 212 H LEU 31 H LEU 31 -3.766 -8.206 -6.198 213 HA LEU 31 HA LEU 31 -2.612 -5.695 -5.979 214 HB2 LEU 31 HB2 LEU 31 -2.266 -7.718 -8.169 215 HB3 LEU 31 HB3 LEU 31 -1.210 -6.351 -7.883 216 HG LEU 31 HG LEU 31 -1.635 -8.693 -6.039 217 HD11 LEU 31 HD11 LEU 31 0.691 -9.201 -6.575 218 HD12 LEU 31 HD12 LEU 31 0.711 -7.859 -7.718 219 HD13 LEU 31 HD13 LEU 31 -0.344 -9.242 -8.001 220 HD21 LEU 31 HD21 LEU 31 0.163 -7.731 -4.689 221 HD22 LEU 31 HD22 LEU 31 -1.225 -6.645 -4.767 222 HD23 LEU 31 HD23 LEU 31 0.208 -6.318 -5.744 223 H ASP 32 H ASP 32 -4.654 -6.945 -8.580 224 HA ASP 32 HA ASP 32 -4.488 -4.347 -9.918 225 HB2 ASP 32 HB2 ASP 32 -5.624 -6.975 -10.879 226 HB3 ASP 32 HB3 ASP 32 -5.687 -5.484 -11.800 227 H LEU 33 H LEU 33 -6.235 -5.159 -7.478 228 HA LEU 33 HA LEU 33 -8.871 -4.589 -8.530 229 HB2 LEU 33 HB2 LEU 33 -7.903 -4.785 -5.682 230 HB3 LEU 33 HB3 LEU 33 -9.571 -4.578 -6.164 231 HG LEU 33 HG LEU 33 -7.846 -6.992 -6.676 232 HD11 LEU 33 HD11 LEU 33 -10.247 -6.539 -4.927 233 HD12 LEU 33 HD12 LEU 33 -8.581 -6.752 -4.386 234 HD13 LEU 33 HD13 LEU 33 -9.429 -8.080 -5.179 235 HD21 LEU 33 HD21 LEU 33 -10.729 -6.478 -7.408 236 HD22 LEU 33 HD22 LEU 33 -9.879 -8.013 -7.579 237 HD23 LEU 33 HD23 LEU 33 -9.384 -6.618 -8.541 238 H ARG 34 H ARG 34 -9.991 -2.688 -8.162 239 HA ARG 34 HA ARG 34 -8.296 -0.345 -8.013 240 HB2 ARG 34 HB2 ARG 34 -11.286 -0.652 -8.281 241 HB3 ARG 34 HB3 ARG 34 -10.472 0.903 -8.213 242 HG2 ARG 34 HG2 ARG 34 -9.273 0.376 -10.262 243 HG3 ARG 34 HG3 ARG 34 -10.050 -1.210 -10.314 244 HD2 ARG 34 HD2 ARG 34 -11.542 1.411 -10.335 245 HD3 ARG 34 HD3 ARG 34 -11.116 0.504 -11.786 246 HE ARG 34 HE ARG 34 -12.450 -1.357 -10.763 247 HH11 ARG 34 HH11 ARG 34 -13.213 2.021 -9.924 248 HH12 ARG 34 HH12 ARG 34 -14.867 1.737 -9.744 249 HH21 ARG 34 HH21 ARG 34 -14.763 -1.733 -10.478 250 HH22 ARG 34 HH22 ARG 34 -15.749 -0.443 -9.978 251 H PHE 35 H PHE 35 -8.085 1.020 -6.313 252 HA PHE 35 HA PHE 35 -8.607 0.202 -3.736 253 HB2 PHE 35 HB2 PHE 35 -8.177 2.995 -4.789 254 HB3 PHE 35 HB3 PHE 35 -8.371 2.660 -3.073 255 HD1 PHE 35 HD2 PHE 35 -6.772 0.860 -2.089 256 HD2 PHE 35 HD1 PHE 35 -6.059 2.944 -5.711 257 HE1 PHE 35 HE2 PHE 35 -4.377 0.355 -1.892 258 HE2 PHE 35 HE1 PHE 35 -3.659 2.445 -5.526 259 HZ PHE 35 HZ PHE 35 -2.813 1.151 -3.616 260 H GLU 36 H GLU 36 -10.654 2.091 -5.811 261 HA GLU 36 HA GLU 36 -12.773 2.864 -4.219 262 HB2 GLU 36 HB2 GLU 36 -12.987 1.587 -6.938 263 HB3 GLU 36 HB3 GLU 36 -14.180 2.628 -6.183 264 HG2 GLU 36 HG2 GLU 36 -12.688 4.497 -6.316 265 HG3 GLU 36 HG3 GLU 36 -11.399 3.460 -6.936 266 H ASP 37 H ASP 37 -12.059 -0.308 -5.511 267 HA ASP 37 HA ASP 37 -14.593 -1.445 -4.693 268 HB2 ASP 37 HB2 ASP 37 -13.759 -2.017 -6.872 269 HB3 ASP 37 HB3 ASP 37 -12.229 -2.549 -6.199 270 H ILE 38 H ILE 38 -11.388 -1.225 -3.467 271 HA ILE 38 HA ILE 38 -11.978 -3.383 -1.591 272 HB ILE 38 HB ILE 38 -9.614 -3.355 -0.896 273 HG12 ILE 38 HG12 ILE 38 -9.270 -1.306 -3.106 274 HG13 ILE 38 HG13 ILE 38 -9.116 -1.013 -1.376 275 HG21 ILE 38 HG21 ILE 38 -10.322 -4.892 -2.614 276 HG22 ILE 38 HG22 ILE 38 -8.687 -4.324 -2.957 277 HG23 ILE 38 HG23 ILE 38 -10.056 -3.672 -3.858 278 HD11 ILE 38 HD11 ILE 38 -7.355 -2.825 -3.005 279 HD12 ILE 38 HD12 ILE 38 -7.187 -2.477 -1.283 280 HD13 ILE 38 HD13 ILE 38 -6.950 -1.195 -2.471 281 H GLY 39 H GLY 39 -12.968 -0.581 -1.562 282 HA2 GLY 39 HA2 GLY 39 -13.706 0.840 0.090 283 HA3 GLY 39 HA3 GLY 39 -13.091 -0.320 1.258 284 H TYR 40 H TYR 40 -11.201 1.322 -1.185 285 HA TYR 40 HA TYR 40 -9.775 2.623 0.999 286 HB2 TYR 40 HB2 TYR 40 -8.824 0.942 -1.157 287 HB3 TYR 40 HB3 TYR 40 -8.082 2.524 -1.171 288 HD1 TYR 40 HD1 TYR 40 -9.002 -0.028 1.393 289 HD2 TYR 40 HD2 TYR 40 -6.147 2.721 -0.104 290 HE1 TYR 40 HE1 TYR 40 -7.430 -0.694 3.171 291 HE2 TYR 40 HE2 TYR 40 -4.582 2.081 1.651 292 HH TYR 40 HH TYR 40 -4.388 1.021 3.598 293 H ASP 41 H ASP 41 -9.596 4.674 0.928 294 HA ASP 41 HA ASP 41 -10.023 6.073 -1.610 295 HB2 ASP 41 HB2 ASP 41 -10.347 7.070 1.202 296 HB3 ASP 41 HB3 ASP 41 -10.372 8.078 -0.199 297 H SER 42 H SER 42 -8.886 8.154 -1.388 298 HA SER 42 HA SER 42 -6.177 7.970 -1.582 299 HB2 SER 42 HB2 SER 42 -6.294 10.450 -1.241 300 HB3 SER 42 HB3 SER 42 -7.444 9.804 -2.432 301 H LEU 43 H LEU 43 -8.102 8.744 1.243 302 HA LEU 43 HA LEU 43 -6.064 9.756 2.889 303 HB2 LEU 43 HB2 LEU 43 -8.676 8.494 3.696 304 HB3 LEU 43 HB3 LEU 43 -7.686 9.549 4.688 305 HG LEU 43 HG LEU 43 -9.047 10.368 2.119 306 HD11 LEU 43 HD11 LEU 43 -9.757 10.976 4.973 307 HD12 LEU 43 HD12 LEU 43 -10.658 9.940 3.867 308 HD13 LEU 43 HD13 LEU 43 -10.529 11.669 3.546 309 HD21 LEU 43 HD21 LEU 43 -8.417 12.641 2.777 310 HD22 LEU 43 HD22 LEU 43 -6.996 11.622 2.538 311 HD23 LEU 43 HD23 LEU 43 -7.548 11.996 4.170 312 H ALA 44 H ALA 44 -7.730 6.583 3.185 313 HA ALA 44 HA ALA 44 -5.839 5.527 4.996 314 HB1 ALA 44 HB1 ALA 44 -7.632 4.018 3.087 315 HB2 ALA 44 HB2 ALA 44 -8.083 4.559 4.703 316 HB3 ALA 44 HB3 ALA 44 -6.823 3.341 4.501 317 H LEU 45 H LEU 45 -5.969 5.690 1.555 318 HA LEU 45 HA LEU 45 -4.025 3.778 0.893 319 HB2 LEU 45 HB2 LEU 45 -5.782 5.092 -0.430 320 HB3 LEU 45 HB3 LEU 45 -4.593 6.323 -0.653 321 HG LEU 45 HG LEU 45 -4.725 3.520 -1.708 322 HD11 LEU 45 HD11 LEU 45 -5.894 5.170 -2.944 323 HD12 LEU 45 HD12 LEU 45 -4.494 4.609 -3.857 324 HD13 LEU 45 HD13 LEU 45 -4.448 6.179 -3.048 325 HD21 LEU 45 HD21 LEU 45 -2.417 3.785 -0.965 326 HD22 LEU 45 HD22 LEU 45 -2.281 5.293 -1.880 327 HD23 LEU 45 HD23 LEU 45 -2.521 3.757 -2.723 328 H MET 46 H MET 46 -3.802 7.298 1.478 329 HA MET 46 HA MET 46 -0.986 7.499 1.142 330 HB2 MET 46 HB2 MET 46 -2.872 9.286 2.702 331 HB3 MET 46 HB3 MET 46 -1.195 9.672 2.362 332 HG2 MET 46 HG2 MET 46 -1.667 9.712 -0.012 333 HG3 MET 46 HG3 MET 46 -3.339 9.238 0.318 334 HE1 MET 46 HE1 MET 46 -3.896 10.992 2.964 335 HE2 MET 46 HE2 MET 46 -5.062 10.810 1.653 336 HE3 MET 46 HE3 MET 46 -4.645 12.420 2.245 337 H GLU 47 H GLU 47 -3.064 6.901 3.889 338 HA GLU 47 HA GLU 47 -1.131 7.065 5.916 339 HB2 GLU 47 HB2 GLU 47 -3.662 6.993 6.117 340 HB3 GLU 47 HB3 GLU 47 -3.533 5.266 5.881 341 HG2 GLU 47 HG2 GLU 47 -3.694 5.705 8.225 342 HG3 GLU 47 HG3 GLU 47 -2.091 5.081 7.846 343 H THR 48 H THR 48 -2.217 4.434 3.882 344 HA THR 48 HA THR 48 -0.793 2.280 4.931 345 HB THR 48 HB THR 48 -1.538 2.955 2.082 346 HG1 THR 48 HG1 THR 48 -3.222 2.761 3.712 347 HG21 THR 48 HG21 THR 48 0.194 1.243 2.107 348 HG22 THR 48 HG22 THR 48 -1.349 0.529 1.641 349 HG23 THR 48 HG23 THR 48 -0.722 0.290 3.277 350 H ALA 49 H ALA 49 0.053 4.496 2.275 351 HA ALA 49 HA ALA 49 2.613 3.564 1.758 352 HB1 ALA 49 HB1 ALA 49 1.576 6.384 1.487 353 HB2 ALA 49 HB2 ALA 49 1.400 5.100 0.291 354 HB3 ALA 49 HB3 ALA 49 3.002 5.724 0.687 355 H ALA 50 H ALA 50 1.563 6.181 3.916 356 HA ALA 50 HA ALA 50 4.051 6.983 4.867 357 HB1 ALA 50 HB1 ALA 50 2.863 7.996 6.728 358 HB2 ALA 50 HB2 ALA 50 1.437 7.019 6.369 359 HB3 ALA 50 HB3 ALA 50 1.976 8.246 5.224 360 H ARG 51 H ARG 51 1.953 4.399 6.034 361 HA ARG 51 HA ARG 51 3.518 3.735 8.290 362 HB2 ARG 51 HB2 ARG 51 1.308 2.796 8.209 363 HB3 ARG 51 HB3 ARG 51 1.615 2.037 6.649 364 HG2 ARG 51 HG2 ARG 51 3.309 0.593 7.721 365 HG3 ARG 51 HG3 ARG 51 2.900 1.313 9.274 366 HD2 ARG 51 HD2 ARG 51 0.796 0.025 7.584 367 HD3 ARG 51 HD3 ARG 51 1.869 -0.960 8.568 368 HE ARG 51 HE ARG 51 0.055 1.107 9.657 369 HH11 ARG 51 HH11 ARG 51 1.892 -1.926 9.971 370 HH12 ARG 51 HH12 ARG 51 1.016 -2.492 11.317 371 HH21 ARG 51 HH21 ARG 51 -1.196 0.253 11.602 372 HH22 ARG 51 HH22 ARG 51 -0.767 -1.271 12.199 373 H LEU 52 H LEU 52 3.522 2.488 4.969 374 HA LEU 52 HA LEU 52 5.616 0.639 5.453 375 HB2 LEU 52 HB2 LEU 52 4.665 1.767 2.818 376 HB3 LEU 52 HB3 LEU 52 5.773 0.417 3.002 377 HG LEU 52 HG LEU 52 2.897 0.455 3.899 378 HD11 LEU 52 HD11 LEU 52 4.274 -1.044 1.686 379 HD12 LEU 52 HD12 LEU 52 3.151 0.306 1.477 380 HD13 LEU 52 HD13 LEU 52 2.586 -1.224 2.156 381 HD21 LEU 52 HD21 LEU 52 4.291 -0.872 5.402 382 HD22 LEU 52 HD22 LEU 52 4.967 -1.740 4.023 383 HD23 LEU 52 HD23 LEU 52 3.257 -1.914 4.423 384 H GLU 53 H GLU 53 5.633 3.995 4.551 385 HA GLU 53 HA GLU 53 8.295 4.299 3.788 386 HB2 GLU 53 HB2 GLU 53 6.651 6.107 5.506 387 HB3 GLU 53 HB3 GLU 53 8.168 6.575 4.767 388 HG2 GLU 53 HG2 GLU 53 7.098 6.246 2.546 389 HG3 GLU 53 HG3 GLU 53 5.567 5.952 3.385 390 H SER 54 H SER 54 6.940 4.803 7.021 391 HA SER 54 HA SER 54 9.410 4.896 8.319 392 HB2 SER 54 HB2 SER 54 6.684 4.268 9.445 393 HB3 SER 54 HB3 SER 54 8.084 4.856 10.352 394 HG SER 54 HG SER 54 7.941 6.572 8.519 395 H ARG 55 H ARG 55 7.264 2.230 7.595 396 HA ARG 55 HA ARG 55 8.357 0.305 9.336 397 HB2 ARG 55 HB2 ARG 55 6.190 0.341 7.835 398 HB3 ARG 55 HB3 ARG 55 7.235 -0.408 6.651 399 HG2 ARG 55 HG2 ARG 55 6.408 -1.519 9.338 400 HG3 ARG 55 HG3 ARG 55 5.952 -2.089 7.750 401 HD2 ARG 55 HD2 ARG 55 8.383 -2.626 7.366 402 HD3 ARG 55 HD3 ARG 55 8.643 -2.286 9.078 403 HE ARG 55 HE ARG 55 6.518 -4.084 8.818 404 HH11 ARG 55 HH11 ARG 55 10.067 -4.027 8.674 405 HH12 ARG 55 HH12 ARG 55 10.217 -5.714 8.703 406 HH21 ARG 55 HH21 ARG 55 6.759 -6.402 8.884 407 HH22 ARG 55 HH22 ARG 55 8.290 -7.101 8.791 408 H TYR 56 H TYR 56 9.005 0.925 5.844 409 HA TYR 56 HA TYR 56 11.228 -0.958 6.092 410 HB2 TYR 56 HB2 TYR 56 9.605 -0.206 3.680 411 HB3 TYR 56 HB3 TYR 56 11.039 -1.222 3.608 412 HD1 TYR 56 HD2 TYR 56 11.046 -3.378 4.955 413 HD2 TYR 56 HD1 TYR 56 7.505 -1.126 4.257 414 HE1 TYR 56 HE2 TYR 56 9.696 -5.350 5.513 415 HE2 TYR 56 HE1 TYR 56 6.137 -3.081 4.829 416 HH TYR 56 HH TYR 56 6.632 -5.775 4.731 417 H GLY 57 H GLY 57 10.879 2.312 5.968 418 HA2 GLY 57 HA2 GLY 57 12.646 3.847 5.945 419 HA3 GLY 57 HA3 GLY 57 13.700 2.587 5.312 420 H VAL 58 H VAL 58 10.639 3.825 4.114 421 HA VAL 58 HA VAL 58 12.004 4.653 1.656 422 HB VAL 58 HB VAL 58 10.230 3.899 0.237 423 HG11 VAL 58 HG11 VAL 58 11.785 2.171 0.825 424 HG12 VAL 58 HG12 VAL 58 10.150 1.502 0.610 425 HG13 VAL 58 HG13 VAL 58 10.789 1.779 2.233 426 HG21 VAL 58 HG21 VAL 58 8.676 3.080 2.696 427 HG22 VAL 58 HG22 VAL 58 8.193 2.776 1.025 428 HG23 VAL 58 HG23 VAL 58 8.301 4.430 1.626 429 H SER 59 H SER 59 10.363 6.120 0.330 430 HA SER 59 HA SER 59 8.668 7.588 2.126 431 HB2 SER 59 HB2 SER 59 10.837 8.803 2.117 432 HB3 SER 59 HB3 SER 59 10.736 8.935 0.362 433 HG SER 59 HG SER 59 8.537 9.813 1.828 434 H ILE 60 H ILE 60 6.835 8.045 1.212 435 HA ILE 60 HA ILE 60 6.533 7.953 -1.704 436 HB ILE 60 HB ILE 60 4.582 6.710 0.281 437 HG12 ILE 60 HG12 ILE 60 6.573 5.267 0.012 438 HG13 ILE 60 HG13 ILE 60 5.126 4.522 -0.656 439 HG21 ILE 60 HG21 ILE 60 3.367 5.915 -1.705 440 HG22 ILE 60 HG22 ILE 60 4.501 6.790 -2.735 441 HG23 ILE 60 HG23 ILE 60 3.453 7.676 -1.627 442 HD11 ILE 60 HD11 ILE 60 7.066 4.145 -2.087 443 HD12 ILE 60 HD12 ILE 60 7.322 5.885 -2.217 444 HD13 ILE 60 HD13 ILE 60 5.876 5.154 -2.915 445 HA PRO 61 HA PRO 61 4.829 11.902 -0.317 446 HB2 PRO 61 HB2 PRO 61 4.290 12.105 -3.228 447 HB3 PRO 61 HB3 PRO 61 5.129 13.236 -2.158 448 HG2 PRO 61 HG2 PRO 61 6.495 11.762 -3.895 449 HG3 PRO 61 HG3 PRO 61 7.130 12.061 -2.266 450 HD2 PRO 61 HD2 PRO 61 5.782 9.622 -3.359 451 HD3 PRO 61 HD3 PRO 61 7.196 9.742 -2.288 452 H ASP 62 H ASP 62 2.802 12.541 0.095 453 HA ASP 62 HA ASP 62 0.558 10.888 0.044 454 HB2 ASP 62 HB2 ASP 62 0.583 13.925 0.096 455 HB3 ASP 62 HB3 ASP 62 -0.833 12.946 0.423 456 H ASP 63 H ASP 63 1.667 13.137 -2.337 457 HA ASP 63 HA ASP 63 -0.674 13.359 -3.922 458 HB2 ASP 63 HB2 ASP 63 2.201 13.637 -4.812 459 HB3 ASP 63 HB3 ASP 63 0.781 14.323 -5.586 460 H VAL 64 H VAL 64 2.110 11.260 -3.938 461 HA VAL 64 HA VAL 64 1.476 9.883 -6.423 462 HB VAL 64 HB VAL 64 3.393 9.147 -4.194 463 HG11 VAL 64 HG11 VAL 64 2.883 7.286 -5.685 464 HG12 VAL 64 HG12 VAL 64 4.542 7.829 -5.929 465 HG13 VAL 64 HG13 VAL 64 3.287 8.277 -7.084 466 HG21 VAL 64 HG21 VAL 64 3.938 11.342 -5.057 467 HG22 VAL 64 HG22 VAL 64 3.910 10.725 -6.709 468 HG23 VAL 64 HG23 VAL 64 5.149 10.171 -5.580 469 H ALA 65 H ALA 65 1.285 9.208 -2.986 470 HA ALA 65 HA ALA 65 0.219 6.649 -3.166 471 HB1 ALA 65 HB1 ALA 65 -0.600 7.015 -0.881 472 HB2 ALA 65 HB2 ALA 65 -0.250 8.743 -1.049 473 HB3 ALA 65 HB3 ALA 65 1.061 7.567 -1.085 474 H GLY 66 H GLY 66 -1.450 9.804 -3.201 475 HA2 GLY 66 HA2 GLY 66 -4.043 8.541 -3.295 476 HA3 GLY 66 HA3 GLY 66 -3.708 10.260 -3.420 477 H ARG 67 H ARG 67 -1.721 8.800 -5.564 478 HA ARG 67 HA ARG 67 -3.453 9.571 -7.783 479 HB2 ARG 67 HB2 ARG 67 -1.285 10.600 -7.758 480 HB3 ARG 67 HB3 ARG 67 -0.495 9.039 -7.612 481 HG2 ARG 67 HG2 ARG 67 -1.353 8.437 -9.833 482 HG3 ARG 67 HG3 ARG 67 -2.038 10.060 -9.969 483 HD2 ARG 67 HD2 ARG 67 0.140 11.047 -9.840 484 HD3 ARG 67 HD3 ARG 67 0.878 9.481 -9.511 485 HE ARG 67 HE ARG 67 -0.586 9.777 -12.002 486 HH11 ARG 67 HH11 ARG 67 2.570 9.777 -10.389 487 HH12 ARG 67 HH12 ARG 67 3.450 9.341 -11.781 488 HH21 ARG 67 HH21 ARG 67 0.633 9.271 -13.929 489 HH22 ARG 67 HH22 ARG 67 2.321 9.098 -13.889 490 H VAL 68 H VAL 68 -1.851 6.786 -6.442 491 HA VAL 68 HA VAL 68 -2.071 5.266 -8.841 492 HB VAL 68 HB VAL 68 -1.347 3.307 -7.317 493 HG11 VAL 68 HG11 VAL 68 0.964 4.149 -7.246 494 HG12 VAL 68 HG12 VAL 68 0.373 5.790 -7.516 495 HG13 VAL 68 HG13 VAL 68 0.183 4.564 -8.771 496 HG21 VAL 68 HG21 VAL 68 -0.882 5.618 -5.445 497 HG22 VAL 68 HG22 VAL 68 -0.369 3.951 -5.173 498 HG23 VAL 68 HG23 VAL 68 -2.094 4.358 -5.192 499 H ASP 69 H ASP 69 -3.353 3.529 -9.314 500 HA ASP 69 HA ASP 69 -6.035 3.906 -8.223 501 HB2 ASP 69 HB2 ASP 69 -5.093 2.721 -10.834 502 HB3 ASP 69 HB3 ASP 69 -6.775 2.777 -10.319 503 H THR 70 H THR 70 -3.611 1.449 -8.799 504 HA THR 70 HA THR 70 -5.326 -0.402 -7.318 505 HB THR 70 HB THR 70 -4.135 -2.231 -8.588 506 HG1 THR 70 HG1 THR 70 -2.968 -1.704 -10.366 507 HG21 THR 70 HG21 THR 70 -6.400 -1.530 -9.221 508 HG22 THR 70 HG22 THR 70 -5.456 -1.967 -10.646 509 HG23 THR 70 HG23 THR 70 -5.724 -0.269 -10.252 510 HA PRO 71 HA PRO 71 -2.184 -0.722 -4.211 511 HB2 PRO 71 HB2 PRO 71 -2.585 -3.666 -4.314 512 HB3 PRO 71 HB3 PRO 71 -2.709 -2.559 -2.947 513 HG2 PRO 71 HG2 PRO 71 -4.894 -3.571 -4.074 514 HG3 PRO 71 HG3 PRO 71 -4.850 -1.897 -3.487 515 HD2 PRO 71 HD2 PRO 71 -4.686 -2.926 -6.282 516 HD3 PRO 71 HD3 PRO 71 -5.495 -1.477 -5.651 517 H ARG 72 H ARG 72 -2.082 -2.926 -6.925 518 HA ARG 72 HA ARG 72 0.463 -3.968 -6.798 519 HB2 ARG 72 HB2 ARG 72 -1.229 -4.590 -8.450 520 HB3 ARG 72 HB3 ARG 72 -1.045 -3.033 -9.234 521 HG2 ARG 72 HG2 ARG 72 1.246 -3.603 -9.818 522 HG3 ARG 72 HG3 ARG 72 1.042 -5.176 -9.036 523 HD2 ARG 72 HD2 ARG 72 -0.722 -5.755 -10.552 524 HD3 ARG 72 HD3 ARG 72 -0.678 -4.149 -11.273 525 HE ARG 72 HE ARG 72 1.843 -5.152 -11.547 526 HH11 ARG 72 HH11 ARG 72 -1.442 -6.086 -12.615 527 HH12 ARG 72 HH12 ARG 72 -0.897 -6.850 -14.032 528 HH21 ARG 72 HH21 ARG 72 2.561 -6.226 -13.522 529 HH22 ARG 72 HH22 ARG 72 1.426 -6.938 -14.562 530 H GLU 73 H GLU 73 -0.586 -0.836 -8.140 531 HA GLU 73 HA GLU 73 1.922 0.010 -9.107 532 HB2 GLU 73 HB2 GLU 73 -0.403 1.684 -8.175 533 HB3 GLU 73 HB3 GLU 73 0.919 2.228 -9.193 534 HG2 GLU 73 HG2 GLU 73 0.208 0.650 -10.926 535 HG3 GLU 73 HG3 GLU 73 -1.146 0.168 -9.902 536 H LEU 74 H LEU 74 0.269 0.419 -6.056 537 HA LEU 74 HA LEU 74 2.132 2.230 -4.894 538 HB2 LEU 74 HB2 LEU 74 -0.278 1.857 -4.183 539 HB3 LEU 74 HB3 LEU 74 0.209 0.329 -3.500 540 HG LEU 74 HG LEU 74 -0.186 2.130 -1.833 541 HD11 LEU 74 HD11 LEU 74 1.230 0.298 -1.187 542 HD12 LEU 74 HD12 LEU 74 1.805 1.805 -0.470 543 HD13 LEU 74 HD13 LEU 74 2.641 1.117 -1.863 544 HD21 LEU 74 HD21 LEU 74 1.464 3.925 -1.565 545 HD22 LEU 74 HD22 LEU 74 0.592 4.039 -3.094 546 HD23 LEU 74 HD23 LEU 74 2.242 3.419 -3.065 547 H LEU 75 H LEU 75 1.731 -1.255 -4.862 548 HA LEU 75 HA LEU 75 3.804 -1.996 -3.151 549 HB2 LEU 75 HB2 LEU 75 2.066 -3.514 -4.059 550 HB3 LEU 75 HB3 LEU 75 2.835 -3.426 -5.628 551 HG LEU 75 HG LEU 75 4.847 -4.500 -4.680 552 HD11 LEU 75 HD11 LEU 75 4.588 -3.754 -2.385 553 HD12 LEU 75 HD12 LEU 75 4.721 -5.512 -2.465 554 HD13 LEU 75 HD13 LEU 75 3.146 -4.756 -2.214 555 HD21 LEU 75 HD21 LEU 75 3.872 -6.730 -4.439 556 HD22 LEU 75 HD22 LEU 75 3.122 -5.847 -5.771 557 HD23 LEU 75 HD23 LEU 75 2.274 -6.011 -4.235 558 H ASP 76 H ASP 76 3.788 -1.485 -6.648 559 HA ASP 76 HA ASP 76 6.479 -1.985 -7.230 560 HB2 ASP 76 HB2 ASP 76 4.847 -1.771 -9.008 561 HB3 ASP 76 HB3 ASP 76 4.526 -0.101 -8.558 562 H LEU 77 H LEU 77 4.867 0.971 -6.256 563 HA LEU 77 HA LEU 77 6.997 2.768 -6.456 564 HB2 LEU 77 HB2 LEU 77 4.734 2.733 -4.466 565 HB3 LEU 77 HB3 LEU 77 5.812 4.087 -4.724 566 HG LEU 77 HG LEU 77 3.941 2.962 -6.801 567 HD11 LEU 77 HD11 LEU 77 3.714 5.420 -5.073 568 HD12 LEU 77 HD12 LEU 77 2.738 3.957 -4.935 569 HD13 LEU 77 HD13 LEU 77 2.615 4.964 -6.376 570 HD21 LEU 77 HD21 LEU 77 5.921 4.054 -7.736 571 HD22 LEU 77 HD22 LEU 77 5.609 5.477 -6.746 572 HD23 LEU 77 HD23 LEU 77 4.474 5.019 -8.017 573 H ILE 78 H ILE 78 5.970 0.727 -3.760 574 HA ILE 78 HA ILE 78 7.989 1.592 -1.969 575 HB ILE 78 HB ILE 78 6.655 -1.134 -1.960 576 HG12 ILE 78 HG12 ILE 78 4.948 0.666 -1.948 577 HG13 ILE 78 HG13 ILE 78 4.993 -0.200 -0.420 578 HG21 ILE 78 HG21 ILE 78 8.621 -0.974 -0.534 579 HG22 ILE 78 HG22 ILE 78 7.163 -1.073 0.454 580 HG23 ILE 78 HG23 ILE 78 7.973 0.475 0.234 581 HD11 ILE 78 HD11 ILE 78 6.213 2.500 -0.967 582 HD12 ILE 78 HD12 ILE 78 6.248 1.642 0.577 583 HD13 ILE 78 HD13 ILE 78 4.713 2.191 -0.093 584 H ASN 79 H ASN 79 7.735 -1.219 -4.142 585 HA ASN 79 HA ASN 79 10.190 -2.449 -3.533 586 HB2 ASN 79 HB2 ASN 79 8.613 -2.452 -6.111 587 HB3 ASN 79 HB3 ASN 79 10.162 -3.261 -6.002 588 HD21 ASN 79 HD21 ASN 79 7.629 -3.191 -3.488 589 HD22 ASN 79 HD22 ASN 79 7.320 -4.899 -3.587 590 H GLY 80 H GLY 80 9.471 -0.006 -5.991 591 HA2 GLY 80 HA2 GLY 80 12.064 0.256 -6.998 592 HA3 GLY 80 HA3 GLY 80 10.803 1.481 -7.063 593 H ALA 81 H ALA 81 10.422 1.936 -4.363 594 HA ALA 81 HA ALA 81 12.443 3.852 -3.881 595 HB1 ALA 81 HB1 ALA 81 10.114 4.135 -3.184 596 HB2 ALA 81 HB2 ALA 81 11.232 4.330 -1.829 597 HB3 ALA 81 HB3 ALA 81 10.313 2.836 -2.009 598 H LEU 82 H LEU 82 11.898 0.635 -2.651 599 HA LEU 82 HA LEU 82 13.797 0.667 -0.543 600 HB2 LEU 82 HB2 LEU 82 12.626 -1.562 -2.203 601 HB3 LEU 82 HB3 LEU 82 13.723 -1.849 -0.866 602 HG LEU 82 HG LEU 82 11.141 -0.343 -0.486 603 HD11 LEU 82 HD11 LEU 82 10.608 -2.536 -1.438 604 HD12 LEU 82 HD12 LEU 82 10.150 -2.443 0.261 605 HD13 LEU 82 HD13 LEU 82 11.612 -3.312 -0.214 606 HD21 LEU 82 HD21 LEU 82 11.455 -1.065 1.825 607 HD22 LEU 82 HD22 LEU 82 12.838 -0.134 1.251 608 HD23 LEU 82 HD23 LEU 82 12.945 -1.892 1.365 609 H ALA 83 H ALA 83 13.959 -0.362 -3.911 610 HA ALA 83 HA ALA 83 16.671 -1.112 -3.887 611 HB1 ALA 83 HB1 ALA 83 15.088 -1.840 -5.607 612 HB2 ALA 83 HB2 ALA 83 16.512 -1.077 -6.314 613 HB3 ALA 83 HB3 ALA 83 14.993 -0.187 -6.210 614 H GLU 84 H GLU 84 15.104 1.975 -4.233 615 HA GLU 84 HA GLU 84 17.418 3.385 -5.207 616 HB2 GLU 84 HB2 GLU 84 14.892 4.472 -3.946 617 HB3 GLU 84 HB3 GLU 84 16.106 5.423 -4.777 618 HG2 GLU 84 HG2 GLU 84 14.361 3.307 -6.009 619 HG3 GLU 84 HG3 GLU 84 14.140 5.048 -6.152 620 H ALA 85 H ALA 85 16.718 2.095 -2.222 621 HA ALA 85 HA ALA 85 17.861 4.300 -0.699 622 HB1 ALA 85 HB1 ALA 85 16.647 1.709 0.262 623 HB2 ALA 85 HB2 ALA 85 15.816 3.260 0.166 624 HB3 ALA 85 HB3 ALA 85 17.168 3.052 1.280 625 H ALA 86 H ALA 86 19.545 3.860 0.837 626 HA ALA 86 HA ALA 86 21.352 1.715 -0.005 627 HB1 ALA 86 HB1 ALA 86 22.227 3.930 -0.617 628 HB2 ALA 86 HB2 ALA 86 23.204 3.204 0.659 629 HB3 ALA 86 HB3 ALA 86 22.041 4.469 1.053 630 H28 SXA 87 H28A SXA 87 -9.194 13.564 -0.185 631 H28A SXA 87 H28B SXA 87 -7.620 12.764 -0.259 632 H30 SXA 87 H30A SXA 87 -5.956 13.479 -2.070 633 H30A SXA 87 H30B SXA 87 -6.437 14.755 -3.209 634 H30B SXA 87 H30C SXA 87 -7.284 13.224 -3.193 635 H31 SXA 87 H31A SXA 87 -8.487 16.129 -2.712 636 H31A SXA 87 H31B SXA 87 -9.633 15.579 -1.489 637 H31B SXA 87 H31C SXA 87 -9.387 14.631 -2.955 638 H32 SXA 87 H32A SXA 87 -6.304 14.882 0.075 639 HO33 SXA 87 H33A SXA 87 -8.196 16.742 0.369 640 HN36 SXA 87 H36A SXA 87 -5.550 15.768 -2.357 641 H37 SXA 87 H37A SXA 87 -5.631 18.692 -2.490 642 H37A SXA 87 H37B SXA 87 -4.090 17.827 -2.465 643 H38 SXA 87 H38A SXA 87 -4.799 16.495 -4.378 644 H38A SXA 87 H38B SXA 87 -6.270 17.465 -4.510 645 HN41 SXA 87 H41A SXA 87 -4.968 17.193 -6.578 646 H42 SXA 87 H42A SXA 87 -4.302 19.672 -7.642 647 H42A SXA 87 H42B SXA 87 -2.782 18.890 -7.203 648 H43 SXA 87 H43A SXA 87 -3.298 18.393 -9.529 649 H43A SXA 87 H43B SXA 87 -4.879 17.757 -9.050 650 H2 SXA 87 H2C SXA 87 -1.158 15.760 -6.366 651 H2A SXA 87 H2A SXA 87 0.312 16.286 -7.194 652 H2B SXA 87 H2B SXA 87 -0.629 14.930 -7.834 Start of MODEL 18 1 H1 MET 1 H1 MET 1 21.011 -5.729 -2.937 2 H2 MET 1 H2 MET 1 21.373 -7.279 -3.472 3 H3 MET 1 H3 MET 1 20.790 -7.029 -1.898 4 HA MET 1 HA MET 1 19.284 -6.480 -4.376 5 HB2 MET 1 HB2 MET 1 17.925 -8.459 -3.778 6 HB3 MET 1 HB3 MET 1 19.594 -8.890 -4.104 7 HG2 MET 1 HG2 MET 1 19.998 -8.964 -1.657 8 HG3 MET 1 HG3 MET 1 18.285 -8.657 -1.402 9 HE1 MET 1 HE1 MET 1 16.662 -11.891 -2.953 10 HE2 MET 1 HE2 MET 1 16.976 -10.362 -3.772 11 HE3 MET 1 HE3 MET 1 16.357 -10.365 -2.120 12 H ALA 2 H ALA 2 17.191 -5.685 -4.057 13 HA ALA 2 HA ALA 2 16.802 -4.415 -1.479 14 HB1 ALA 2 HB1 ALA 2 14.966 -3.235 -2.605 15 HB2 ALA 2 HB2 ALA 2 15.213 -4.220 -4.049 16 HB3 ALA 2 HB3 ALA 2 16.466 -3.093 -3.523 17 H THR 3 H THR 3 14.961 -4.776 -0.202 18 HA THR 3 HA THR 3 13.923 -7.467 -0.291 19 HB THR 3 HB THR 3 13.013 -5.108 1.393 20 HG1 THR 3 HG1 THR 3 15.414 -6.286 1.407 21 HG21 THR 3 HG21 THR 3 12.859 -8.098 1.866 22 HG22 THR 3 HG22 THR 3 11.510 -7.050 1.435 23 HG23 THR 3 HG23 THR 3 12.318 -6.849 2.988 24 H LEU 4 H LEU 4 12.483 -7.795 -1.970 25 HA LEU 4 HA LEU 4 10.689 -5.644 -2.650 26 HB2 LEU 4 HB2 LEU 4 10.887 -8.405 -3.852 27 HB3 LEU 4 HB3 LEU 4 9.940 -7.075 -4.484 28 HG LEU 4 HG LEU 4 12.951 -7.221 -4.359 29 HD11 LEU 4 HD11 LEU 4 11.044 -7.242 -6.675 30 HD12 LEU 4 HD12 LEU 4 11.992 -8.609 -6.082 31 HD13 LEU 4 HD13 LEU 4 12.805 -7.213 -6.795 32 HD21 LEU 4 HD21 LEU 4 12.199 -4.931 -3.980 33 HD22 LEU 4 HD22 LEU 4 11.179 -5.015 -5.413 34 HD23 LEU 4 HD23 LEU 4 12.934 -5.091 -5.576 35 H LEU 5 H LEU 5 8.840 -5.417 -1.720 36 HA LEU 5 HA LEU 5 7.849 -7.349 0.102 37 HB2 LEU 5 HB2 LEU 5 6.494 -4.865 -0.922 38 HB3 LEU 5 HB3 LEU 5 5.959 -5.830 0.436 39 HG LEU 5 HG LEU 5 8.405 -4.098 0.254 40 HD11 LEU 5 HD11 LEU 5 7.397 -2.985 2.167 41 HD12 LEU 5 HD12 LEU 5 6.025 -4.090 2.090 42 HD13 LEU 5 HD13 LEU 5 6.327 -2.965 0.764 43 HD21 LEU 5 HD21 LEU 5 8.973 -4.849 2.517 44 HD22 LEU 5 HD22 LEU 5 9.046 -6.175 1.355 45 HD23 LEU 5 HD23 LEU 5 7.668 -6.038 2.449 46 H THR 6 H THR 6 5.960 -8.474 0.046 47 HA THR 6 HA THR 6 5.164 -9.251 -2.648 48 HB THR 6 HB THR 6 4.307 -11.306 -1.525 49 HG1 THR 6 HG1 THR 6 5.485 -10.093 0.820 50 HG21 THR 6 HG21 THR 6 6.515 -12.300 -1.052 51 HG22 THR 6 HG22 THR 6 7.222 -10.683 -0.993 52 HG23 THR 6 HG23 THR 6 6.552 -11.299 -2.505 53 H THR 7 H THR 7 2.785 -10.315 -2.408 54 HA THR 7 HA THR 7 0.940 -8.302 -2.108 55 HB THR 7 HB THR 7 0.567 -11.298 -1.896 56 HG1 THR 7 HG1 THR 7 0.046 -11.034 -4.148 57 HG21 THR 7 HG21 THR 7 -1.387 -10.055 -1.058 58 HG22 THR 7 HG22 THR 7 -1.752 -10.845 -2.588 59 HG23 THR 7 HG23 THR 7 -1.428 -9.113 -2.545 60 H ASP 8 H ASP 8 1.826 -10.910 0.191 61 HA ASP 8 HA ASP 8 -0.035 -10.222 2.165 62 HB2 ASP 8 HB2 ASP 8 1.161 -12.369 2.211 63 HB3 ASP 8 HB3 ASP 8 2.653 -11.526 2.619 64 H ASP 9 H ASP 9 3.173 -8.931 1.614 65 HA ASP 9 HA ASP 9 3.422 -7.504 4.076 66 HB2 ASP 9 HB2 ASP 9 4.639 -6.853 1.387 67 HB3 ASP 9 HB3 ASP 9 5.096 -6.070 2.887 68 H LEU 10 H LEU 10 2.206 -6.669 0.932 69 HA LEU 10 HA LEU 10 1.553 -3.974 1.554 70 HB2 LEU 10 HB2 LEU 10 1.933 -4.888 -0.726 71 HB3 LEU 10 HB3 LEU 10 0.455 -5.809 -0.574 72 HG LEU 10 HG LEU 10 -0.813 -3.684 -0.428 73 HD11 LEU 10 HD11 LEU 10 0.300 -1.601 -1.061 74 HD12 LEU 10 HD12 LEU 10 1.857 -2.431 -1.071 75 HD13 LEU 10 HD13 LEU 10 0.965 -2.251 0.438 76 HD21 LEU 10 HD21 LEU 10 -0.582 -3.131 -2.793 77 HD22 LEU 10 HD22 LEU 10 -0.560 -4.875 -2.531 78 HD23 LEU 10 HD23 LEU 10 0.947 -4.010 -2.848 79 H ARG 11 H ARG 11 -0.215 -7.001 1.379 80 HA ARG 11 HA ARG 11 -2.774 -6.181 2.015 81 HB2 ARG 11 HB2 ARG 11 -2.080 -8.448 1.214 82 HB3 ARG 11 HB3 ARG 11 -1.472 -8.792 2.822 83 HG2 ARG 11 HG2 ARG 11 -3.670 -8.744 3.738 84 HG3 ARG 11 HG3 ARG 11 -4.346 -8.125 2.226 85 HD2 ARG 11 HD2 ARG 11 -4.801 -10.510 2.429 86 HD3 ARG 11 HD3 ARG 11 -3.690 -10.208 1.096 87 HE ARG 11 HE ARG 11 -2.442 -10.799 3.594 88 HH11 ARG 11 HH11 ARG 11 -3.629 -12.231 0.576 89 HH12 ARG 11 HH12 ARG 11 -2.814 -13.713 0.785 90 HH21 ARG 11 HH21 ARG 11 -1.201 -12.765 3.766 91 HH22 ARG 11 HH22 ARG 11 -1.456 -14.053 2.670 92 H ARG 12 H ARG 12 -0.121 -7.072 4.207 93 HA ARG 12 HA ARG 12 -1.367 -6.807 6.666 94 HB2 ARG 12 HB2 ARG 12 1.443 -6.203 5.787 95 HB3 ARG 12 HB3 ARG 12 0.939 -5.930 7.444 96 HG2 ARG 12 HG2 ARG 12 0.380 -8.299 7.652 97 HG3 ARG 12 HG3 ARG 12 0.901 -8.562 5.987 98 HD2 ARG 12 HD2 ARG 12 3.154 -7.969 6.516 99 HD3 ARG 12 HD3 ARG 12 2.688 -7.399 8.119 100 HE ARG 12 HE ARG 12 1.950 -9.887 8.324 101 HH11 ARG 12 HH11 ARG 12 4.982 -8.658 6.883 102 HH12 ARG 12 HH12 ARG 12 5.869 -10.051 7.300 103 HH21 ARG 12 HH21 ARG 12 3.227 -11.767 8.862 104 HH22 ARG 12 HH22 ARG 12 4.865 -11.860 8.420 105 H ALA 13 H ALA 13 0.059 -4.293 4.653 106 HA ALA 13 HA ALA 13 -0.429 -2.198 6.512 107 HB1 ALA 13 HB1 ALA 13 1.323 -2.036 4.809 108 HB2 ALA 13 HB2 ALA 13 0.184 -0.695 4.689 109 HB3 ALA 13 HB3 ALA 13 0.095 -2.033 3.545 110 H LEU 14 H LEU 14 -2.150 -3.440 3.691 111 HA LEU 14 HA LEU 14 -4.130 -1.449 3.757 112 HB2 LEU 14 HB2 LEU 14 -3.979 -4.078 2.366 113 HB3 LEU 14 HB3 LEU 14 -5.541 -3.300 2.498 114 HG LEU 14 HG LEU 14 -4.576 -1.293 1.365 115 HD11 LEU 14 HD11 LEU 14 -2.223 -3.078 0.846 116 HD12 LEU 14 HD12 LEU 14 -2.234 -1.621 1.837 117 HD13 LEU 14 HD13 LEU 14 -2.523 -1.510 0.098 118 HD21 LEU 14 HD21 LEU 14 -5.898 -2.901 0.144 119 HD22 LEU 14 HD22 LEU 14 -4.460 -3.875 -0.165 120 HD23 LEU 14 HD23 LEU 14 -4.604 -2.263 -0.868 121 H VAL 15 H VAL 15 -4.058 -4.608 5.286 122 HA VAL 15 HA VAL 15 -6.656 -4.565 6.350 123 HB VAL 15 HB VAL 15 -4.107 -5.727 7.556 124 HG11 VAL 15 HG11 VAL 15 -5.576 -7.130 8.922 125 HG12 VAL 15 HG12 VAL 15 -6.985 -6.289 8.277 126 HG13 VAL 15 HG13 VAL 15 -5.822 -5.420 9.277 127 HG21 VAL 15 HG21 VAL 15 -4.939 -7.853 6.677 128 HG22 VAL 15 HG22 VAL 15 -4.698 -6.679 5.382 129 HG23 VAL 15 HG23 VAL 15 -6.324 -7.024 5.967 130 H GLU 16 H GLU 16 -3.619 -3.469 7.811 131 HA GLU 16 HA GLU 16 -4.659 -2.423 10.158 132 HB2 GLU 16 HB2 GLU 16 -2.171 -1.695 8.645 133 HB3 GLU 16 HB3 GLU 16 -2.569 -1.022 10.216 134 HG2 GLU 16 HG2 GLU 16 -2.162 -3.935 9.595 135 HG3 GLU 16 HG3 GLU 16 -0.998 -2.868 10.383 136 H SER 17 H SER 17 -3.987 -0.642 7.114 137 HA SER 17 HA SER 17 -4.882 1.778 8.306 138 HB2 SER 17 HB2 SER 17 -4.043 1.100 5.496 139 HB3 SER 17 HB3 SER 17 -4.529 2.719 6.000 140 HG SER 17 HG SER 17 -2.974 2.731 7.488 141 H ALA 18 H ALA 18 -6.521 -0.688 6.495 142 HA ALA 18 HA ALA 18 -8.755 0.960 5.799 143 HB1 ALA 18 HB1 ALA 18 -9.911 -1.142 5.317 144 HB2 ALA 18 HB2 ALA 18 -8.607 -2.038 6.093 145 HB3 ALA 18 HB3 ALA 18 -8.296 -1.133 4.613 146 H GLY 19 H GLY 19 -7.791 -0.944 8.512 147 HA2 GLY 19 HA2 GLY 19 -8.549 -0.235 10.691 148 HA3 GLY 19 HA3 GLY 19 -10.124 0.088 9.968 149 H GLU 20 H GLU 20 -11.570 -1.497 9.753 150 HA GLU 20 HA GLU 20 -10.810 -4.098 10.895 151 HB2 GLU 20 HB2 GLU 20 -13.560 -2.866 10.640 152 HB3 GLU 20 HB3 GLU 20 -13.137 -4.326 11.519 153 HG2 GLU 20 HG2 GLU 20 -12.273 -1.527 12.220 154 HG3 GLU 20 HG3 GLU 20 -13.544 -2.454 13.010 155 H THR 21 H THR 21 -11.026 -2.717 8.082 156 HA THR 21 HA THR 21 -12.848 -4.442 6.684 157 HB THR 21 HB THR 21 -10.872 -2.509 5.453 158 HG1 THR 21 HG1 THR 21 -13.486 -2.028 6.469 159 HG21 THR 21 HG21 THR 21 -12.101 -3.998 3.908 160 HG22 THR 21 HG22 THR 21 -12.619 -2.322 3.722 161 HG23 THR 21 HG23 THR 21 -13.626 -3.461 4.615 162 H ASP 22 H ASP 22 -11.363 -6.270 7.669 163 HA ASP 22 HA ASP 22 -9.298 -6.910 5.678 164 HB2 ASP 22 HB2 ASP 22 -8.363 -8.511 7.187 165 HB3 ASP 22 HB3 ASP 22 -8.712 -7.097 8.158 166 H GLY 23 H GLY 23 -12.394 -7.792 6.926 167 HA2 GLY 23 HA2 GLY 23 -12.565 -10.228 5.421 168 HA3 GLY 23 HA3 GLY 23 -13.829 -9.490 6.399 169 H THR 24 H THR 24 -12.086 -9.209 3.408 170 HA THR 24 HA THR 24 -14.473 -8.694 1.958 171 HB THR 24 HB THR 24 -13.851 -6.364 2.605 172 HG1 THR 24 HG1 THR 24 -14.763 -6.567 0.587 173 HG21 THR 24 HG21 THR 24 -11.218 -6.926 1.214 174 HG22 THR 24 HG22 THR 24 -11.444 -6.668 2.943 175 HG23 THR 24 HG23 THR 24 -11.743 -5.350 1.807 176 H ASP 25 H ASP 25 -13.306 -8.219 -0.507 177 HA ASP 25 HA ASP 25 -11.674 -10.613 -0.613 178 HB2 ASP 25 HB2 ASP 25 -13.061 -9.180 -2.873 179 HB3 ASP 25 HB3 ASP 25 -11.970 -10.544 -3.107 180 H LEU 26 H LEU 26 -9.982 -9.817 0.248 181 HA LEU 26 HA LEU 26 -8.349 -8.048 -1.425 182 HB2 LEU 26 HB2 LEU 26 -8.922 -7.455 1.025 183 HB3 LEU 26 HB3 LEU 26 -7.897 -8.765 1.521 184 HG LEU 26 HG LEU 26 -6.004 -7.587 0.336 185 HD11 LEU 26 HD11 LEU 26 -7.361 -6.203 -1.140 186 HD12 LEU 26 HD12 LEU 26 -6.327 -5.204 -0.114 187 HD13 LEU 26 HD13 LEU 26 -8.046 -5.368 0.254 188 HD21 LEU 26 HD21 LEU 26 -7.408 -6.147 2.588 189 HD22 LEU 26 HD22 LEU 26 -5.710 -5.963 2.148 190 HD23 LEU 26 HD23 LEU 26 -6.298 -7.509 2.758 191 H SER 27 H SER 27 -7.897 -10.619 0.983 192 HA SER 27 HA SER 27 -6.569 -12.420 1.096 193 HB2 SER 27 HB2 SER 27 -8.105 -12.968 -1.434 194 HB3 SER 27 HB3 SER 27 -7.495 -14.166 -0.292 195 HG SER 27 HG SER 27 -8.937 -12.397 1.068 196 H GLY 28 H GLY 28 -6.121 -13.971 -1.568 197 HA2 GLY 28 HA2 GLY 28 -3.350 -13.798 -1.411 198 HA3 GLY 28 HA3 GLY 28 -4.274 -14.687 -2.597 199 H ASP 29 H ASP 29 -5.547 -12.273 -3.697 200 HA ASP 29 HA ASP 29 -3.311 -10.680 -4.566 201 HB2 ASP 29 HB2 ASP 29 -3.359 -12.735 -6.088 202 HB3 ASP 29 HB3 ASP 29 -4.901 -12.133 -6.685 203 H PHE 30 H PHE 30 -3.973 -8.725 -4.897 204 HA PHE 30 HA PHE 30 -6.714 -8.102 -5.687 205 HB2 PHE 30 HB2 PHE 30 -6.881 -6.491 -3.763 206 HB3 PHE 30 HB3 PHE 30 -6.891 -8.182 -3.276 207 HD1 PHE 30 HD1 PHE 30 -4.951 -5.056 -3.275 208 HD2 PHE 30 HD2 PHE 30 -5.053 -9.106 -1.998 209 HE1 PHE 30 HE1 PHE 30 -3.086 -4.621 -1.746 210 HE2 PHE 30 HE2 PHE 30 -3.191 -8.668 -0.456 211 HZ PHE 30 HZ PHE 30 -2.213 -6.431 -0.320 212 H LEU 31 H LEU 31 -3.664 -7.849 -6.288 213 HA LEU 31 HA LEU 31 -2.976 -5.152 -6.129 214 HB2 LEU 31 HB2 LEU 31 -1.787 -7.385 -7.732 215 HB3 LEU 31 HB3 LEU 31 -1.178 -5.748 -7.837 216 HG LEU 31 HG LEU 31 -0.755 -5.847 -5.350 217 HD11 LEU 31 HD11 LEU 31 -1.281 -8.782 -5.723 218 HD12 LEU 31 HD12 LEU 31 -2.215 -7.659 -4.735 219 HD13 LEU 31 HD13 LEU 31 -0.550 -8.036 -4.303 220 HD21 LEU 31 HD21 LEU 31 1.031 -6.081 -6.959 221 HD22 LEU 31 HD22 LEU 31 0.711 -7.809 -7.096 222 HD23 LEU 31 HD23 LEU 31 1.305 -7.139 -5.576 223 H ASP 32 H ASP 32 -4.856 -6.798 -8.532 224 HA ASP 32 HA ASP 32 -4.531 -4.530 -10.368 225 HB2 ASP 32 HB2 ASP 32 -4.350 -6.968 -11.149 226 HB3 ASP 32 HB3 ASP 32 -6.090 -7.070 -10.902 227 H LEU 33 H LEU 33 -6.482 -5.519 -7.885 228 HA LEU 33 HA LEU 33 -8.985 -4.502 -8.908 229 HB2 LEU 33 HB2 LEU 33 -8.163 -5.297 -6.114 230 HB3 LEU 33 HB3 LEU 33 -9.793 -4.872 -6.599 231 HG LEU 33 HG LEU 33 -8.222 -7.279 -7.523 232 HD11 LEU 33 HD11 LEU 33 -9.912 -8.534 -6.290 233 HD12 LEU 33 HD12 LEU 33 -10.626 -7.009 -5.751 234 HD13 LEU 33 HD13 LEU 33 -8.996 -7.449 -5.238 235 HD21 LEU 33 HD21 LEU 33 -11.039 -6.421 -8.192 236 HD22 LEU 33 HD22 LEU 33 -10.298 -7.956 -8.646 237 HD23 LEU 33 HD23 LEU 33 -9.672 -6.442 -9.305 238 H ARG 34 H ARG 34 -9.746 -2.459 -8.553 239 HA ARG 34 HA ARG 34 -7.743 -0.544 -7.798 240 HB2 ARG 34 HB2 ARG 34 -10.605 -0.147 -8.662 241 HB3 ARG 34 HB3 ARG 34 -9.462 1.155 -8.363 242 HG2 ARG 34 HG2 ARG 34 -8.016 0.253 -10.065 243 HG3 ARG 34 HG3 ARG 34 -9.211 -0.990 -10.447 244 HD2 ARG 34 HD2 ARG 34 -10.841 0.845 -10.934 245 HD3 ARG 34 HD3 ARG 34 -9.528 2.002 -10.719 246 HE ARG 34 HE ARG 34 -8.658 0.131 -12.547 247 HH11 ARG 34 HH11 ARG 34 -10.910 2.833 -12.391 248 HH12 ARG 34 HH12 ARG 34 -11.199 2.874 -14.082 249 HH21 ARG 34 HH21 ARG 34 -9.044 0.213 -14.869 250 HH22 ARG 34 HH22 ARG 34 -10.077 1.411 -15.516 251 H PHE 35 H PHE 35 -7.828 0.934 -6.184 252 HA PHE 35 HA PHE 35 -8.542 0.037 -3.678 253 HB2 PHE 35 HB2 PHE 35 -8.020 2.855 -4.605 254 HB3 PHE 35 HB3 PHE 35 -8.282 2.440 -2.919 255 HD1 PHE 35 HD2 PHE 35 -6.708 0.810 -1.816 256 HD2 PHE 35 HD1 PHE 35 -5.902 2.580 -5.595 257 HE1 PHE 35 HE2 PHE 35 -4.322 0.275 -1.550 258 HE2 PHE 35 HE1 PHE 35 -3.515 2.051 -5.338 259 HZ PHE 35 HZ PHE 35 -2.722 0.898 -3.314 260 H GLU 36 H GLU 36 -10.470 1.973 -5.861 261 HA GLU 36 HA GLU 36 -12.576 2.768 -4.262 262 HB2 GLU 36 HB2 GLU 36 -13.964 2.753 -6.265 263 HB3 GLU 36 HB3 GLU 36 -12.362 3.379 -6.636 264 HG2 GLU 36 HG2 GLU 36 -11.735 1.412 -7.756 265 HG3 GLU 36 HG3 GLU 36 -13.092 0.510 -7.095 266 H ASP 37 H ASP 37 -11.848 -0.470 -5.416 267 HA ASP 37 HA ASP 37 -14.525 -1.496 -5.038 268 HB2 ASP 37 HB2 ASP 37 -13.042 -2.449 -6.756 269 HB3 ASP 37 HB3 ASP 37 -11.918 -2.964 -5.502 270 H ILE 38 H ILE 38 -11.530 -1.484 -3.302 271 HA ILE 38 HA ILE 38 -12.714 -3.143 -1.224 272 HB ILE 38 HB ILE 38 -10.431 -3.117 -0.177 273 HG12 ILE 38 HG12 ILE 38 -9.672 -1.687 -2.749 274 HG13 ILE 38 HG13 ILE 38 -9.640 -0.993 -1.135 275 HG21 ILE 38 HG21 ILE 38 -9.420 -4.644 -1.821 276 HG22 ILE 38 HG22 ILE 38 -10.596 -4.113 -3.023 277 HG23 ILE 38 HG23 ILE 38 -11.138 -4.970 -1.579 278 HD11 ILE 38 HD11 ILE 38 -7.883 -2.555 -0.500 279 HD12 ILE 38 HD12 ILE 38 -7.416 -1.586 -1.900 280 HD13 ILE 38 HD13 ILE 38 -7.928 -3.259 -2.115 281 H GLY 39 H GLY 39 -13.293 -0.287 -1.892 282 HA2 GLY 39 HA2 GLY 39 -13.971 1.591 -0.805 283 HA3 GLY 39 HA3 GLY 39 -14.052 0.580 0.627 284 H TYR 40 H TYR 40 -11.171 1.420 -1.238 285 HA TYR 40 HA TYR 40 -10.036 2.358 1.238 286 HB2 TYR 40 HB2 TYR 40 -8.968 1.046 -1.014 287 HB3 TYR 40 HB3 TYR 40 -8.216 2.643 -0.939 288 HD1 TYR 40 HD1 TYR 40 -8.890 -0.417 1.005 289 HD2 TYR 40 HD2 TYR 40 -6.659 3.174 0.715 290 HE1 TYR 40 HE1 TYR 40 -7.505 -1.136 2.896 291 HE2 TYR 40 HE2 TYR 40 -5.265 2.468 2.603 292 HH TYR 40 HH TYR 40 -5.438 -0.692 3.918 293 H ASP 41 H ASP 41 -10.634 4.074 1.802 294 HA ASP 41 HA ASP 41 -11.678 6.299 0.800 295 HB2 ASP 41 HB2 ASP 41 -11.445 5.888 3.138 296 HB3 ASP 41 HB3 ASP 41 -9.701 5.956 3.037 297 H SER 42 H SER 42 -8.483 7.052 1.875 298 HA SER 42 HA SER 42 -6.984 7.405 -0.423 299 HB2 SER 42 HB2 SER 42 -7.099 9.888 -0.687 300 HB3 SER 42 HB3 SER 42 -8.606 9.101 -1.159 301 H LEU 43 H LEU 43 -7.983 8.990 2.552 302 HA LEU 43 HA LEU 43 -5.391 9.764 3.372 303 HB2 LEU 43 HB2 LEU 43 -7.859 9.158 5.023 304 HB3 LEU 43 HB3 LEU 43 -6.453 10.040 5.587 305 HG LEU 43 HG LEU 43 -8.245 10.991 3.346 306 HD11 LEU 43 HD11 LEU 43 -9.480 10.913 5.440 307 HD12 LEU 43 HD12 LEU 43 -9.142 12.572 4.939 308 HD13 LEU 43 HD13 LEU 43 -8.202 11.837 6.238 309 HD21 LEU 43 HD21 LEU 43 -5.970 11.865 3.263 310 HD22 LEU 43 HD22 LEU 43 -6.102 12.395 4.940 311 HD23 LEU 43 HD23 LEU 43 -7.119 13.129 3.700 312 H ALA 44 H ALA 44 -7.475 7.031 4.010 313 HA ALA 44 HA ALA 44 -5.741 5.463 5.561 314 HB1 ALA 44 HB1 ALA 44 -8.141 4.970 5.272 315 HB2 ALA 44 HB2 ALA 44 -7.138 3.569 4.907 316 HB3 ALA 44 HB3 ALA 44 -7.843 4.504 3.596 317 H LEU 45 H LEU 45 -6.011 5.908 2.123 318 HA LEU 45 HA LEU 45 -4.391 3.725 1.263 319 HB2 LEU 45 HB2 LEU 45 -6.136 5.145 -0.027 320 HB3 LEU 45 HB3 LEU 45 -4.856 6.304 -0.237 321 HG LEU 45 HG LEU 45 -4.909 3.484 -1.330 322 HD11 LEU 45 HD11 LEU 45 -5.231 6.144 -2.685 323 HD12 LEU 45 HD12 LEU 45 -6.491 4.938 -2.406 324 HD13 LEU 45 HD13 LEU 45 -5.148 4.578 -3.493 325 HD21 LEU 45 HD21 LEU 45 -2.931 4.117 -2.626 326 HD22 LEU 45 HD22 LEU 45 -2.600 4.211 -0.897 327 HD23 LEU 45 HD23 LEU 45 -2.894 5.685 -1.821 328 H MET 46 H MET 46 -3.811 7.184 1.734 329 HA MET 46 HA MET 46 -1.050 7.081 1.064 330 HB2 MET 46 HB2 MET 46 -2.556 9.166 2.668 331 HB3 MET 46 HB3 MET 46 -0.949 9.375 1.976 332 HG2 MET 46 HG2 MET 46 -1.874 9.087 -0.256 333 HG3 MET 46 HG3 MET 46 -3.476 8.871 0.449 334 HE1 MET 46 HE1 MET 46 -4.746 10.865 1.775 335 HE2 MET 46 HE2 MET 46 -4.093 12.495 1.937 336 HE3 MET 46 HE3 MET 46 -3.322 11.147 2.780 337 H GLU 47 H GLU 47 -2.867 6.616 3.962 338 HA GLU 47 HA GLU 47 -0.763 6.690 5.818 339 HB2 GLU 47 HB2 GLU 47 -3.181 6.763 6.280 340 HB3 GLU 47 HB3 GLU 47 -3.273 5.053 5.906 341 HG2 GLU 47 HG2 GLU 47 -1.518 4.662 7.679 342 HG3 GLU 47 HG3 GLU 47 -1.790 6.328 8.188 343 H THR 48 H THR 48 -2.076 4.158 3.732 344 HA THR 48 HA THR 48 -0.739 1.912 4.710 345 HB THR 48 HB THR 48 -1.437 2.713 1.871 346 HG1 THR 48 HG1 THR 48 -2.962 2.006 3.942 347 HG21 THR 48 HG21 THR 48 -0.784 -0.030 2.974 348 HG22 THR 48 HG22 THR 48 0.209 0.917 1.862 349 HG23 THR 48 HG23 THR 48 -1.359 0.307 1.340 350 H ALA 49 H ALA 49 0.136 4.207 2.182 351 HA ALA 49 HA ALA 49 2.692 3.293 1.584 352 HB1 ALA 49 HB1 ALA 49 1.455 4.889 0.205 353 HB2 ALA 49 HB2 ALA 49 3.056 5.508 0.617 354 HB3 ALA 49 HB3 ALA 49 1.632 6.115 1.461 355 H ALA 50 H ALA 50 1.689 5.881 3.816 356 HA ALA 50 HA ALA 50 4.229 6.575 4.750 357 HB1 ALA 50 HB1 ALA 50 1.602 6.821 6.201 358 HB2 ALA 50 HB2 ALA 50 2.237 7.969 5.020 359 HB3 ALA 50 HB3 ALA 50 3.078 7.722 6.550 360 H ARG 51 H ARG 51 2.008 4.141 5.873 361 HA ARG 51 HA ARG 51 3.282 3.448 8.275 362 HB2 ARG 51 HB2 ARG 51 0.976 2.782 7.590 363 HB3 ARG 51 HB3 ARG 51 1.670 1.694 6.402 364 HG2 ARG 51 HG2 ARG 51 2.634 0.349 8.175 365 HG3 ARG 51 HG3 ARG 51 2.021 1.486 9.381 366 HD2 ARG 51 HD2 ARG 51 0.335 -0.164 7.485 367 HD3 ARG 51 HD3 ARG 51 0.581 -0.486 9.200 368 HE ARG 51 HE ARG 51 -1.020 1.674 8.022 369 HH11 ARG 51 HH11 ARG 51 0.085 -0.023 10.933 370 HH12 ARG 51 HH12 ARG 51 -1.058 0.680 11.969 371 HH21 ARG 51 HH21 ARG 51 -2.700 2.635 9.503 372 HH22 ARG 51 HH22 ARG 51 -2.689 2.135 11.117 373 H LEU 52 H LEU 52 3.566 2.122 4.994 374 HA LEU 52 HA LEU 52 5.671 0.327 5.649 375 HB2 LEU 52 HB2 LEU 52 4.915 1.410 2.917 376 HB3 LEU 52 HB3 LEU 52 5.953 0.026 3.231 377 HG LEU 52 HG LEU 52 3.021 0.157 3.913 378 HD11 LEU 52 HD11 LEU 52 2.755 -1.459 2.107 379 HD12 LEU 52 HD12 LEU 52 4.471 -1.319 1.728 380 HD13 LEU 52 HD13 LEU 52 3.403 0.068 1.509 381 HD21 LEU 52 HD21 LEU 52 5.003 -2.115 4.073 382 HD22 LEU 52 HD22 LEU 52 3.272 -2.228 4.390 383 HD23 LEU 52 HD23 LEU 52 4.302 -1.258 5.447 384 H GLU 53 H GLU 53 5.625 3.668 4.495 385 HA GLU 53 HA GLU 53 8.323 4.075 3.917 386 HB2 GLU 53 HB2 GLU 53 6.490 5.951 5.371 387 HB3 GLU 53 HB3 GLU 53 8.052 6.393 4.732 388 HG2 GLU 53 HG2 GLU 53 7.172 5.927 2.467 389 HG3 GLU 53 HG3 GLU 53 5.583 5.648 3.200 390 H SER 54 H SER 54 6.635 4.438 6.954 391 HA SER 54 HA SER 54 8.798 5.238 8.513 392 HB2 SER 54 HB2 SER 54 6.294 3.780 9.352 393 HB3 SER 54 HB3 SER 54 7.347 4.736 10.399 394 HG SER 54 HG SER 54 5.684 5.637 8.271 395 H ARG 55 H ARG 55 7.360 2.014 8.099 396 HA ARG 55 HA ARG 55 9.124 0.768 9.904 397 HB2 ARG 55 HB2 ARG 55 6.918 -0.134 9.385 398 HB3 ARG 55 HB3 ARG 55 7.450 -0.497 7.749 399 HG2 ARG 55 HG2 ARG 55 8.974 -2.151 8.523 400 HG3 ARG 55 HG3 ARG 55 8.733 -1.670 10.205 401 HD2 ARG 55 HD2 ARG 55 6.659 -2.867 8.381 402 HD3 ARG 55 HD3 ARG 55 7.491 -3.700 9.696 403 HE ARG 55 HE ARG 55 6.286 -1.388 10.723 404 HH11 ARG 55 HH11 ARG 55 5.330 -4.597 9.517 405 HH12 ARG 55 HH12 ARG 55 3.845 -4.579 10.369 406 HH21 ARG 55 HH21 ARG 55 4.226 -1.403 11.819 407 HH22 ARG 55 HH22 ARG 55 3.204 -2.753 11.635 408 H TYR 56 H TYR 56 9.221 1.000 6.361 409 HA TYR 56 HA TYR 56 11.602 -0.681 6.398 410 HB2 TYR 56 HB2 TYR 56 9.903 0.298 4.112 411 HB3 TYR 56 HB3 TYR 56 11.349 -0.678 3.902 412 HD1 TYR 56 HD2 TYR 56 11.389 -3.007 4.887 413 HD2 TYR 56 HD1 TYR 56 7.849 -0.673 4.687 414 HE1 TYR 56 HE2 TYR 56 10.040 -5.039 5.187 415 HE2 TYR 56 HE1 TYR 56 6.490 -2.689 4.987 416 HH TYR 56 HH TYR 56 7.758 -5.592 6.050 417 H GLY 57 H GLY 57 10.795 2.650 6.016 418 HA2 GLY 57 HA2 GLY 57 12.351 4.379 6.130 419 HA3 GLY 57 HA3 GLY 57 13.626 3.235 5.731 420 H VAL 58 H VAL 58 10.639 4.413 4.242 421 HA VAL 58 HA VAL 58 12.167 4.965 1.825 422 HB VAL 58 HB VAL 58 10.461 4.100 0.331 423 HG11 VAL 58 HG11 VAL 58 10.589 1.707 0.746 424 HG12 VAL 58 HG12 VAL 58 11.136 2.048 2.388 425 HG13 VAL 58 HG13 VAL 58 12.142 2.515 1.014 426 HG21 VAL 58 HG21 VAL 58 8.511 2.835 1.110 427 HG22 VAL 58 HG22 VAL 58 8.466 4.515 1.655 428 HG23 VAL 58 HG23 VAL 58 8.923 3.237 2.778 429 H SER 59 H SER 59 10.595 6.257 0.233 430 HA SER 59 HA SER 59 8.967 8.045 1.824 431 HB2 SER 59 HB2 SER 59 9.907 9.871 0.260 432 HB3 SER 59 HB3 SER 59 10.957 9.299 1.560 433 HG SER 59 HG SER 59 11.725 9.447 -0.823 434 H ILE 60 H ILE 60 7.019 8.009 1.064 435 HA ILE 60 HA ILE 60 6.580 7.641 -1.830 436 HB ILE 60 HB ILE 60 4.701 6.663 0.351 437 HG12 ILE 60 HG12 ILE 60 6.710 5.233 0.315 438 HG13 ILE 60 HG13 ILE 60 5.298 4.364 -0.278 439 HG21 ILE 60 HG21 ILE 60 3.558 7.303 -1.684 440 HG22 ILE 60 HG22 ILE 60 3.502 5.552 -1.490 441 HG23 ILE 60 HG23 ILE 60 4.627 6.275 -2.639 442 HD11 ILE 60 HD11 ILE 60 6.081 4.700 -2.579 443 HD12 ILE 60 HD12 ILE 60 7.271 3.846 -1.598 444 HD13 ILE 60 HD13 ILE 60 7.495 5.558 -1.965 445 HA PRO 61 HA PRO 61 4.862 11.713 -0.826 446 HB2 PRO 61 HB2 PRO 61 4.508 11.766 -3.764 447 HB3 PRO 61 HB3 PRO 61 5.351 12.911 -2.717 448 HG2 PRO 61 HG2 PRO 61 6.712 11.279 -4.320 449 HG3 PRO 61 HG3 PRO 61 7.305 11.668 -2.696 450 HD2 PRO 61 HD2 PRO 61 5.898 9.208 -3.657 451 HD3 PRO 61 HD3 PRO 61 7.293 9.351 -2.564 452 H ASP 62 H ASP 62 2.814 12.125 -0.352 453 HA ASP 62 HA ASP 62 0.672 10.393 -0.819 454 HB2 ASP 62 HB2 ASP 62 -0.788 12.048 0.155 455 HB3 ASP 62 HB3 ASP 62 0.728 12.040 1.038 456 H ASP 63 H ASP 63 1.937 12.795 -2.837 457 HA ASP 63 HA ASP 63 -0.357 13.425 -4.403 458 HB2 ASP 63 HB2 ASP 63 2.582 13.477 -5.148 459 HB3 ASP 63 HB3 ASP 63 1.288 14.213 -6.083 460 H VAL 64 H VAL 64 2.133 11.011 -4.518 461 HA VAL 64 HA VAL 64 1.243 9.773 -6.999 462 HB VAL 64 HB VAL 64 2.986 8.618 -4.844 463 HG11 VAL 64 HG11 VAL 64 2.827 8.122 -7.823 464 HG12 VAL 64 HG12 VAL 64 2.224 7.059 -6.553 465 HG13 VAL 64 HG13 VAL 64 3.959 7.330 -6.724 466 HG21 VAL 64 HG21 VAL 64 3.874 10.368 -7.144 467 HG22 VAL 64 HG22 VAL 64 4.956 9.476 -6.076 468 HG23 VAL 64 HG23 VAL 64 3.951 10.772 -5.430 469 H ALA 65 H ALA 65 1.121 9.111 -3.570 470 HA ALA 65 HA ALA 65 -0.280 6.709 -3.680 471 HB1 ALA 65 HB1 ALA 65 0.852 7.466 -1.684 472 HB2 ALA 65 HB2 ALA 65 -0.846 7.134 -1.320 473 HB3 ALA 65 HB3 ALA 65 -0.280 8.801 -1.525 474 H GLY 66 H GLY 66 -1.510 9.990 -3.929 475 HA2 GLY 66 HA2 GLY 66 -4.271 9.137 -3.706 476 HA3 GLY 66 HA3 GLY 66 -3.702 10.750 -4.113 477 H ARG 67 H ARG 67 -1.990 9.001 -6.124 478 HA ARG 67 HA ARG 67 -3.942 9.223 -8.305 479 HB2 ARG 67 HB2 ARG 67 -0.983 9.476 -8.161 480 HB3 ARG 67 HB3 ARG 67 -1.766 9.077 -9.676 481 HG2 ARG 67 HG2 ARG 67 -2.962 11.144 -9.681 482 HG3 ARG 67 HG3 ARG 67 -2.404 11.521 -8.043 483 HD2 ARG 67 HD2 ARG 67 -1.164 12.610 -10.001 484 HD3 ARG 67 HD3 ARG 67 -0.203 11.840 -8.734 485 HE ARG 67 HE ARG 67 -0.896 10.228 -11.051 486 HH11 ARG 67 HH11 ARG 67 1.566 12.336 -9.597 487 HH12 ARG 67 HH12 ARG 67 2.869 11.438 -10.264 488 HH21 ARG 67 HH21 ARG 67 0.971 8.968 -11.850 489 HH22 ARG 67 HH22 ARG 67 2.540 9.581 -11.517 490 H VAL 68 H VAL 68 -2.208 6.929 -6.500 491 HA VAL 68 HA VAL 68 -1.999 5.059 -8.645 492 HB VAL 68 HB VAL 68 -1.367 3.382 -6.810 493 HG11 VAL 68 HG11 VAL 68 0.288 4.563 -8.159 494 HG12 VAL 68 HG12 VAL 68 0.851 4.395 -6.493 495 HG13 VAL 68 HG13 VAL 68 0.218 5.940 -7.059 496 HG21 VAL 68 HG21 VAL 68 -0.764 4.293 -4.635 497 HG22 VAL 68 HG22 VAL 68 -2.481 4.604 -4.941 498 HG23 VAL 68 HG23 VAL 68 -1.283 5.888 -5.161 499 H ASP 69 H ASP 69 -3.420 3.841 -9.416 500 HA ASP 69 HA ASP 69 -6.094 3.826 -8.377 501 HB2 ASP 69 HB2 ASP 69 -6.581 2.665 -10.500 502 HB3 ASP 69 HB3 ASP 69 -5.771 4.210 -10.720 503 H THR 70 H THR 70 -3.435 1.570 -8.619 504 HA THR 70 HA THR 70 -5.152 -0.436 -7.420 505 HB THR 70 HB THR 70 -3.750 -2.107 -8.849 506 HG1 THR 70 HG1 THR 70 -3.743 0.094 -10.629 507 HG21 THR 70 HG21 THR 70 -5.893 -0.394 -10.110 508 HG22 THR 70 HG22 THR 70 -6.170 -1.794 -9.073 509 HG23 THR 70 HG23 THR 70 -5.415 -2.003 -10.654 510 HA PRO 71 HA PRO 71 -2.103 -0.960 -4.293 511 HB2 PRO 71 HB2 PRO 71 -2.546 -3.872 -4.793 512 HB3 PRO 71 HB3 PRO 71 -2.569 -2.972 -3.270 513 HG2 PRO 71 HG2 PRO 71 -4.850 -3.689 -4.391 514 HG3 PRO 71 HG3 PRO 71 -4.678 -2.067 -3.686 515 HD2 PRO 71 HD2 PRO 71 -4.622 -2.922 -6.540 516 HD3 PRO 71 HD3 PRO 71 -5.359 -1.485 -5.803 517 H ARG 72 H ARG 72 -1.847 -2.917 -7.212 518 HA ARG 72 HA ARG 72 0.757 -3.855 -7.042 519 HB2 ARG 72 HB2 ARG 72 -0.788 -4.471 -8.839 520 HB3 ARG 72 HB3 ARG 72 -0.677 -2.847 -9.499 521 HG2 ARG 72 HG2 ARG 72 1.714 -3.207 -9.935 522 HG3 ARG 72 HG3 ARG 72 1.560 -4.853 -9.314 523 HD2 ARG 72 HD2 ARG 72 0.060 -3.712 -11.658 524 HD3 ARG 72 HD3 ARG 72 1.457 -4.784 -11.760 525 HE ARG 72 HE ARG 72 0.070 -6.443 -10.558 526 HH11 ARG 72 HH11 ARG 72 -1.626 -3.835 -12.294 527 HH12 ARG 72 HH12 ARG 72 -2.944 -4.845 -12.733 528 HH21 ARG 72 HH21 ARG 72 -1.794 -7.744 -11.127 529 HH22 ARG 72 HH22 ARG 72 -3.024 -7.052 -12.095 530 H GLU 73 H GLU 73 -0.418 -0.712 -8.132 531 HA GLU 73 HA GLU 73 2.009 0.397 -9.034 532 HB2 GLU 73 HB2 GLU 73 -0.340 1.852 -7.818 533 HB3 GLU 73 HB3 GLU 73 0.874 2.521 -8.890 534 HG2 GLU 73 HG2 GLU 73 -1.159 0.432 -9.619 535 HG3 GLU 73 HG3 GLU 73 -1.245 2.147 -10.010 536 H LEU 74 H LEU 74 0.352 0.417 -5.948 537 HA LEU 74 HA LEU 74 2.102 2.250 -4.643 538 HB2 LEU 74 HB2 LEU 74 -0.329 1.612 -4.056 539 HB3 LEU 74 HB3 LEU 74 0.340 0.188 -3.305 540 HG LEU 74 HG LEU 74 0.915 3.036 -2.430 541 HD11 LEU 74 HD11 LEU 74 -1.392 2.475 -2.102 542 HD12 LEU 74 HD12 LEU 74 -0.554 2.546 -0.549 543 HD13 LEU 74 HD13 LEU 74 -0.946 0.984 -1.273 544 HD21 LEU 74 HD21 LEU 74 1.509 0.409 -1.048 545 HD22 LEU 74 HD22 LEU 74 1.810 2.017 -0.390 546 HD23 LEU 74 HD23 LEU 74 2.706 1.459 -1.806 547 H LEU 75 H LEU 75 1.803 -1.276 -4.690 548 HA LEU 75 HA LEU 75 3.950 -1.905 -3.001 549 HB2 LEU 75 HB2 LEU 75 2.247 -3.522 -3.861 550 HB3 LEU 75 HB3 LEU 75 3.026 -3.457 -5.429 551 HG LEU 75 HG LEU 75 5.092 -4.372 -4.399 552 HD11 LEU 75 HD11 LEU 75 3.342 -4.688 -1.972 553 HD12 LEU 75 HD12 LEU 75 4.733 -3.614 -2.127 554 HD13 LEU 75 HD13 LEU 75 4.958 -5.364 -2.180 555 HD21 LEU 75 HD21 LEU 75 4.249 -6.656 -4.142 556 HD22 LEU 75 HD22 LEU 75 3.507 -5.850 -5.521 557 HD23 LEU 75 HD23 LEU 75 2.605 -6.036 -4.019 558 H ASP 76 H ASP 76 3.791 -1.279 -6.450 559 HA ASP 76 HA ASP 76 6.479 -1.755 -7.105 560 HB2 ASP 76 HB2 ASP 76 4.782 -1.676 -8.820 561 HB3 ASP 76 HB3 ASP 76 4.392 -0.009 -8.416 562 H LEU 77 H LEU 77 4.816 1.129 -5.990 563 HA LEU 77 HA LEU 77 6.908 2.983 -6.239 564 HB2 LEU 77 HB2 LEU 77 4.815 2.840 -4.070 565 HB3 LEU 77 HB3 LEU 77 5.809 4.230 -4.430 566 HG LEU 77 HG LEU 77 3.732 3.041 -6.250 567 HD11 LEU 77 HD11 LEU 77 3.715 5.550 -4.583 568 HD12 LEU 77 HD12 LEU 77 2.751 4.098 -4.306 569 HD13 LEU 77 HD13 LEU 77 2.473 5.081 -5.744 570 HD21 LEU 77 HD21 LEU 77 4.101 5.057 -7.606 571 HD22 LEU 77 HD22 LEU 77 5.565 4.074 -7.493 572 HD23 LEU 77 HD23 LEU 77 5.408 5.537 -6.523 573 H ILE 78 H ILE 78 6.018 0.830 -3.602 574 HA ILE 78 HA ILE 78 8.062 1.514 -1.797 575 HB ILE 78 HB ILE 78 6.767 -1.213 -2.152 576 HG12 ILE 78 HG12 ILE 78 5.067 0.527 -1.800 577 HG13 ILE 78 HG13 ILE 78 5.194 -0.520 -0.396 578 HG21 ILE 78 HG21 ILE 78 8.182 -0.001 0.224 579 HG22 ILE 78 HG22 ILE 78 8.781 -1.310 -0.790 580 HG23 ILE 78 HG23 ILE 78 7.350 -1.556 0.212 581 HD11 ILE 78 HD11 ILE 78 6.377 2.237 -0.657 582 HD12 ILE 78 HD12 ILE 78 6.504 1.191 0.760 583 HD13 ILE 78 HD13 ILE 78 4.930 1.805 0.257 584 H ASN 79 H ASN 79 7.870 -1.011 -4.256 585 HA ASN 79 HA ASN 79 10.418 -2.155 -3.975 586 HB2 ASN 79 HB2 ASN 79 8.651 -1.876 -6.409 587 HB3 ASN 79 HB3 ASN 79 10.222 -2.635 -6.517 588 HD21 ASN 79 HD21 ASN 79 8.130 -3.057 -3.702 589 HD22 ASN 79 HD22 ASN 79 7.739 -4.706 -4.055 590 H GLY 80 H GLY 80 9.384 0.590 -5.952 591 HA2 GLY 80 HA2 GLY 80 11.905 1.090 -7.152 592 HA3 GLY 80 HA3 GLY 80 10.549 2.205 -7.086 593 H ALA 81 H ALA 81 10.376 2.270 -4.225 594 HA ALA 81 HA ALA 81 12.310 4.269 -3.708 595 HB1 ALA 81 HB1 ALA 81 11.327 4.363 -1.469 596 HB2 ALA 81 HB2 ALA 81 10.460 2.860 -1.782 597 HB3 ALA 81 HB3 ALA 81 10.069 4.309 -2.704 598 H LEU 82 H LEU 82 11.877 0.946 -2.542 599 HA LEU 82 HA LEU 82 14.129 0.870 -0.842 600 HB2 LEU 82 HB2 LEU 82 12.538 -1.301 -2.174 601 HB3 LEU 82 HB3 LEU 82 13.889 -1.650 -1.112 602 HG LEU 82 HG LEU 82 11.482 -0.050 -0.246 603 HD11 LEU 82 HD11 LEU 82 10.741 -2.084 0.879 604 HD12 LEU 82 HD12 LEU 82 12.091 -2.973 0.178 605 HD13 LEU 82 HD13 LEU 82 10.824 -2.348 -0.863 606 HD21 LEU 82 HD21 LEU 82 13.522 0.334 1.035 607 HD22 LEU 82 HD22 LEU 82 13.705 -1.400 1.286 608 HD23 LEU 82 HD23 LEU 82 12.332 -0.546 1.994 609 H ALA 83 H ALA 83 13.865 0.602 -4.223 610 HA ALA 83 HA ALA 83 16.242 -0.761 -4.835 611 HB1 ALA 83 HB1 ALA 83 14.877 1.427 -6.412 612 HB2 ALA 83 HB2 ALA 83 14.510 -0.296 -6.511 613 HB3 ALA 83 HB3 ALA 83 16.085 0.302 -7.032 614 H GLU 84 H GLU 84 15.578 2.527 -3.935 615 HA GLU 84 HA GLU 84 18.394 3.256 -4.304 616 HB2 GLU 84 HB2 GLU 84 16.778 4.688 -5.461 617 HB3 GLU 84 HB3 GLU 84 15.954 4.997 -3.942 618 HG2 GLU 84 HG2 GLU 84 17.951 6.112 -3.085 619 HG3 GLU 84 HG3 GLU 84 18.772 5.799 -4.613 620 H ALA 85 H ALA 85 15.691 3.870 -2.061 621 HA ALA 85 HA ALA 85 17.596 4.354 0.078 622 HB1 ALA 85 HB1 ALA 85 15.688 5.315 1.270 623 HB2 ALA 85 HB2 ALA 85 14.623 4.865 -0.065 624 HB3 ALA 85 HB3 ALA 85 15.891 6.068 -0.313 625 H ALA 86 H ALA 86 18.153 2.520 1.017 626 HA ALA 86 HA ALA 86 16.037 0.774 1.976 627 HB1 ALA 86 HB1 ALA 86 16.944 -0.276 -0.051 628 HB2 ALA 86 HB2 ALA 86 17.375 -1.203 1.385 629 HB3 ALA 86 HB3 ALA 86 18.573 -0.162 0.615 630 H28 SXA 87 H28A SXA 87 -7.111 12.467 0.823 631 H28A SXA 87 H28B SXA 87 -7.593 12.636 -0.865 632 H30 SXA 87 H30A SXA 87 -8.454 14.748 -1.696 633 H30A SXA 87 H30B SXA 87 -8.583 16.168 -0.659 634 H30B SXA 87 H30C SXA 87 -9.647 14.782 -0.396 635 H31 SXA 87 H31A SXA 87 -7.827 16.001 1.770 636 H31A SXA 87 H31B SXA 87 -7.260 14.444 2.377 637 H31B SXA 87 H31C SXA 87 -8.955 14.657 1.945 638 H32 SXA 87 H32A SXA 87 -5.813 14.422 -1.039 639 HO33 SXA 87 H33A SXA 87 -5.095 15.459 1.325 640 HN36 SXA 87 H36A SXA 87 -6.721 16.357 -2.093 641 H37 SXA 87 H37A SXA 87 -6.552 18.972 -0.842 642 H37A SXA 87 H37B SXA 87 -5.365 18.652 -2.114 643 H38 SXA 87 H38A SXA 87 -7.336 19.780 -3.029 644 H38A SXA 87 H38B SXA 87 -7.179 18.151 -3.690 645 HN41 SXA 87 H41A SXA 87 -9.263 17.775 -4.171 646 H42 SXA 87 H42A SXA 87 -10.967 16.792 -2.208 647 H42A SXA 87 H42B SXA 87 -11.543 18.400 -2.682 648 H43 SXA 87 H43A SXA 87 -10.985 16.111 -4.572 649 H43A SXA 87 H43B SXA 87 -11.849 17.616 -4.973 650 H2 SXA 87 H2C SXA 87 -15.204 17.600 -1.420 651 H2A SXA 87 H2A SXA 87 -15.356 16.087 -2.322 652 H2B SXA 87 H2B SXA 87 -16.137 17.555 -2.922 Start of MODEL 19 1 H1 MET 1 H1 MET 1 16.566 -2.820 4.926 2 H2 MET 1 H2 MET 1 16.235 -1.988 3.488 3 H3 MET 1 H3 MET 1 17.780 -2.553 3.783 4 HA MET 1 HA MET 1 16.408 -3.739 2.189 5 HB2 MET 1 HB2 MET 1 17.180 -6.076 3.094 6 HB3 MET 1 HB3 MET 1 18.357 -4.883 2.608 7 HG2 MET 1 HG2 MET 1 19.142 -5.969 4.588 8 HG3 MET 1 HG3 MET 1 18.704 -4.328 5.020 9 HE1 MET 1 HE1 MET 1 19.260 -6.767 7.093 10 HE2 MET 1 HE2 MET 1 17.976 -6.485 8.267 11 HE3 MET 1 HE3 MET 1 18.888 -5.124 7.616 12 H ALA 2 H ALA 2 15.637 -5.289 5.281 13 HA ALA 2 HA ALA 2 13.884 -6.323 6.018 14 HB1 ALA 2 HB1 ALA 2 11.663 -5.326 5.764 15 HB2 ALA 2 HB2 ALA 2 12.252 -4.313 4.442 16 HB3 ALA 2 HB3 ALA 2 12.875 -4.088 6.074 17 H THR 3 H THR 3 11.991 -5.714 3.135 18 HA THR 3 HA THR 3 12.621 -8.237 1.930 19 HB THR 3 HB THR 3 9.833 -7.766 3.084 20 HG1 THR 3 HG1 THR 3 12.062 -9.008 4.151 21 HG21 THR 3 HG21 THR 3 11.064 -10.192 1.755 22 HG22 THR 3 HG22 THR 3 9.878 -9.104 1.028 23 HG23 THR 3 HG23 THR 3 9.429 -10.097 2.414 24 H LEU 4 H LEU 4 12.095 -7.982 -0.264 25 HA LEU 4 HA LEU 4 10.909 -5.569 -1.201 26 HB2 LEU 4 HB2 LEU 4 11.196 -8.249 -2.595 27 HB3 LEU 4 HB3 LEU 4 10.668 -6.779 -3.380 28 HG LEU 4 HG LEU 4 13.409 -7.302 -2.228 29 HD11 LEU 4 HD11 LEU 4 12.966 -8.491 -4.299 30 HD12 LEU 4 HD12 LEU 4 14.116 -7.181 -4.565 31 HD13 LEU 4 HD13 LEU 4 12.434 -6.992 -5.059 32 HD21 LEU 4 HD21 LEU 4 12.781 -4.952 -1.957 33 HD22 LEU 4 HD22 LEU 4 12.332 -4.868 -3.659 34 HD23 LEU 4 HD23 LEU 4 14.015 -5.136 -3.204 35 H LEU 5 H LEU 5 8.778 -5.172 -1.694 36 HA LEU 5 HA LEU 5 7.082 -6.753 -0.024 37 HB2 LEU 5 HB2 LEU 5 6.344 -4.316 -1.612 38 HB3 LEU 5 HB3 LEU 5 5.344 -5.101 -0.414 39 HG LEU 5 HG LEU 5 7.761 -3.396 -0.046 40 HD11 LEU 5 HD11 LEU 5 5.041 -3.433 1.220 41 HD12 LEU 5 HD12 LEU 5 5.614 -2.332 -0.032 42 HD13 LEU 5 HD13 LEU 5 6.327 -2.279 1.579 43 HD21 LEU 5 HD21 LEU 5 6.666 -5.300 2.026 44 HD22 LEU 5 HD22 LEU 5 7.861 -4.038 2.321 45 HD23 LEU 5 HD23 LEU 5 8.252 -5.392 1.262 46 H THR 6 H THR 6 5.560 -8.016 -0.469 47 HA THR 6 HA THR 6 4.726 -8.403 -3.228 48 HB THR 6 HB THR 6 4.222 -10.809 -2.409 49 HG1 THR 6 HG1 THR 6 5.539 -9.787 -0.164 50 HG21 THR 6 HG21 THR 6 6.509 -11.565 -2.921 51 HG22 THR 6 HG22 THR 6 7.091 -9.912 -2.718 52 HG23 THR 6 HG23 THR 6 5.981 -10.300 -4.030 53 H THR 7 H THR 7 2.544 -10.023 -2.809 54 HA THR 7 HA THR 7 0.440 -8.361 -2.211 55 HB THR 7 HB THR 7 0.629 -11.369 -1.948 56 HG1 THR 7 HG1 THR 7 1.116 -10.442 -4.018 57 HG21 THR 7 HG21 THR 7 -1.849 -9.642 -2.229 58 HG22 THR 7 HG22 THR 7 -1.391 -10.552 -0.792 59 HG23 THR 7 HG23 THR 7 -1.821 -11.402 -2.273 60 H ASP 8 H ASP 8 1.797 -10.860 -0.086 61 HA ASP 8 HA ASP 8 0.249 -10.514 2.168 62 HB2 ASP 8 HB2 ASP 8 1.780 -12.373 1.931 63 HB3 ASP 8 HB3 ASP 8 3.162 -11.289 2.007 64 H ASP 9 H ASP 9 3.210 -8.777 1.361 65 HA ASP 9 HA ASP 9 3.531 -7.407 3.827 66 HB2 ASP 9 HB2 ASP 9 4.447 -6.534 1.105 67 HB3 ASP 9 HB3 ASP 9 5.096 -5.959 2.633 68 H LEU 10 H LEU 10 2.169 -6.455 0.737 69 HA LEU 10 HA LEU 10 1.472 -3.837 1.575 70 HB2 LEU 10 HB2 LEU 10 1.828 -4.518 -0.785 71 HB3 LEU 10 HB3 LEU 10 0.363 -5.474 -0.707 72 HG LEU 10 HG LEU 10 -0.957 -3.425 -0.388 73 HD11 LEU 10 HD11 LEU 10 1.676 -1.998 -0.772 74 HD12 LEU 10 HD12 LEU 10 0.733 -2.053 0.716 75 HD13 LEU 10 HD13 LEU 10 0.084 -1.239 -0.704 76 HD21 LEU 10 HD21 LEU 10 0.889 -3.373 -2.768 77 HD22 LEU 10 HD22 LEU 10 -0.663 -2.545 -2.650 78 HD23 LEU 10 HD23 LEU 10 -0.598 -4.306 -2.623 79 H ARG 11 H ARG 11 -0.260 -6.888 1.313 80 HA ARG 11 HA ARG 11 -2.796 -6.095 2.051 81 HB2 ARG 11 HB2 ARG 11 -2.334 -8.323 1.228 82 HB3 ARG 11 HB3 ARG 11 -1.356 -8.680 2.641 83 HG2 ARG 11 HG2 ARG 11 -3.334 -8.545 4.046 84 HG3 ARG 11 HG3 ARG 11 -4.315 -8.159 2.629 85 HD2 ARG 11 HD2 ARG 11 -3.907 -10.283 1.667 86 HD3 ARG 11 HD3 ARG 11 -2.660 -10.654 2.862 87 HE ARG 11 HE ARG 11 -5.474 -10.258 3.627 88 HH11 ARG 11 HH11 ARG 11 -2.714 -12.408 3.339 89 HH12 ARG 11 HH12 ARG 11 -3.130 -13.417 4.648 90 HH21 ARG 11 HH21 ARG 11 -6.127 -11.580 5.377 91 HH22 ARG 11 HH22 ARG 11 -5.173 -12.931 5.857 92 H ARG 12 H ARG 12 -0.087 -7.015 4.153 93 HA ARG 12 HA ARG 12 -1.274 -6.818 6.669 94 HB2 ARG 12 HB2 ARG 12 1.518 -6.070 5.798 95 HB3 ARG 12 HB3 ARG 12 1.017 -6.142 7.482 96 HG2 ARG 12 HG2 ARG 12 0.665 -8.475 7.362 97 HG3 ARG 12 HG3 ARG 12 0.811 -8.467 5.603 98 HD2 ARG 12 HD2 ARG 12 2.831 -9.327 6.660 99 HD3 ARG 12 HD3 ARG 12 3.150 -7.832 5.789 100 HE ARG 12 HE ARG 12 2.621 -7.179 8.451 101 HH11 ARG 12 HH11 ARG 12 5.143 -8.876 6.596 102 HH12 ARG 12 HH12 ARG 12 6.361 -8.510 7.713 103 HH21 ARG 12 HH21 ARG 12 4.252 -6.730 9.928 104 HH22 ARG 12 HH22 ARG 12 5.864 -7.283 9.697 105 H ALA 13 H ALA 13 0.050 -4.275 4.647 106 HA ALA 13 HA ALA 13 -0.371 -2.145 6.480 107 HB1 ALA 13 HB1 ALA 13 1.158 -1.973 4.567 108 HB2 ALA 13 HB2 ALA 13 -0.063 -0.700 4.550 109 HB3 ALA 13 HB3 ALA 13 -0.216 -2.084 3.469 110 H LEU 14 H LEU 14 -2.249 -3.266 3.681 111 HA LEU 14 HA LEU 14 -4.304 -1.404 4.120 112 HB2 LEU 14 HB2 LEU 14 -4.193 -3.847 2.394 113 HB3 LEU 14 HB3 LEU 14 -5.702 -3.001 2.628 114 HG LEU 14 HG LEU 14 -4.589 -0.935 1.722 115 HD11 LEU 14 HD11 LEU 14 -2.599 -1.194 0.365 116 HD12 LEU 14 HD12 LEU 14 -2.438 -2.860 0.919 117 HD13 LEU 14 HD13 LEU 14 -2.278 -1.530 2.066 118 HD21 LEU 14 HD21 LEU 14 -4.778 -1.648 -0.606 119 HD22 LEU 14 HD22 LEU 14 -6.093 -2.272 0.389 120 HD23 LEU 14 HD23 LEU 14 -4.765 -3.331 -0.085 121 H VAL 15 H VAL 15 -3.955 -4.659 5.355 122 HA VAL 15 HA VAL 15 -6.560 -4.996 6.340 123 HB VAL 15 HB VAL 15 -3.898 -5.999 7.443 124 HG11 VAL 15 HG11 VAL 15 -5.523 -5.915 9.285 125 HG12 VAL 15 HG12 VAL 15 -5.174 -7.577 8.818 126 HG13 VAL 15 HG13 VAL 15 -6.681 -6.814 8.305 127 HG21 VAL 15 HG21 VAL 15 -4.548 -6.897 5.271 128 HG22 VAL 15 HG22 VAL 15 -6.111 -7.379 5.931 129 HG23 VAL 15 HG23 VAL 15 -4.635 -8.143 6.518 130 H GLU 16 H GLU 16 -3.745 -3.520 7.898 131 HA GLU 16 HA GLU 16 -5.268 -2.794 10.194 132 HB2 GLU 16 HB2 GLU 16 -2.485 -1.931 9.411 133 HB3 GLU 16 HB3 GLU 16 -3.228 -1.681 10.987 134 HG2 GLU 16 HG2 GLU 16 -3.405 -4.096 11.291 135 HG3 GLU 16 HG3 GLU 16 -2.669 -4.346 9.713 136 H SER 17 H SER 17 -4.540 -1.116 7.165 137 HA SER 17 HA SER 17 -5.357 1.374 8.314 138 HB2 SER 17 HB2 SER 17 -5.258 2.150 5.844 139 HB3 SER 17 HB3 SER 17 -3.752 1.700 6.645 140 HG SER 17 HG SER 17 -5.244 0.313 4.701 141 H ALA 18 H ALA 18 -6.891 -1.177 6.463 142 HA ALA 18 HA ALA 18 -9.348 0.233 6.084 143 HB1 ALA 18 HB1 ALA 18 -8.803 -2.759 6.115 144 HB2 ALA 18 HB2 ALA 18 -8.766 -1.730 4.690 145 HB3 ALA 18 HB3 ALA 18 -10.285 -1.999 5.541 146 H GLY 19 H GLY 19 -7.988 -1.932 8.467 147 HA2 GLY 19 HA2 GLY 19 -8.366 -1.705 10.767 148 HA3 GLY 19 HA3 GLY 19 -9.874 -0.876 10.418 149 H GLU 20 H GLU 20 -11.130 -2.564 8.791 150 HA GLU 20 HA GLU 20 -12.118 -4.551 10.631 151 HB2 GLU 20 HB2 GLU 20 -12.886 -4.038 7.766 152 HB3 GLU 20 HB3 GLU 20 -13.837 -4.869 8.991 153 HG2 GLU 20 HG2 GLU 20 -14.053 -2.811 10.243 154 HG3 GLU 20 HG3 GLU 20 -13.058 -1.970 9.053 155 H THR 21 H THR 21 -9.554 -5.240 10.049 156 HA THR 21 HA THR 21 -8.090 -6.729 9.128 157 HB THR 21 HB THR 21 -8.907 -9.094 9.009 158 HG1 THR 21 HG1 THR 21 -11.288 -7.893 8.675 159 HG21 THR 21 HG21 THR 21 -8.291 -8.179 11.174 160 HG22 THR 21 HG22 THR 21 -9.631 -9.313 11.341 161 HG23 THR 21 HG23 THR 21 -9.931 -7.576 11.405 162 H ASP 22 H ASP 22 -9.253 -8.831 7.182 163 HA ASP 22 HA ASP 22 -8.766 -7.280 4.810 164 HB2 ASP 22 HB2 ASP 22 -9.962 -10.064 5.047 165 HB3 ASP 22 HB3 ASP 22 -9.505 -9.266 3.552 166 H GLY 23 H GLY 23 -10.278 -5.648 5.098 167 HA2 GLY 23 HA2 GLY 23 -13.043 -5.915 5.469 168 HA3 GLY 23 HA3 GLY 23 -12.270 -4.537 4.691 169 H THR 24 H THR 24 -11.370 -5.250 2.414 170 HA THR 24 HA THR 24 -13.568 -6.487 1.039 171 HB THR 24 HB THR 24 -12.078 -5.504 -0.951 172 HG1 THR 24 HG1 THR 24 -11.338 -3.369 0.291 173 HG21 THR 24 HG21 THR 24 -13.728 -3.808 0.932 174 HG22 THR 24 HG22 THR 24 -14.361 -4.799 -0.381 175 HG23 THR 24 HG23 THR 24 -13.350 -3.398 -0.741 176 H ASP 25 H ASP 25 -12.078 -7.471 -1.248 177 HA ASP 25 HA ASP 25 -10.947 -9.680 0.206 178 HB2 ASP 25 HB2 ASP 25 -11.028 -11.115 -1.783 179 HB3 ASP 25 HB3 ASP 25 -12.583 -10.392 -1.452 180 H LEU 26 H LEU 26 -9.233 -8.970 0.975 181 HA LEU 26 HA LEU 26 -6.999 -8.206 -0.729 182 HB2 LEU 26 HB2 LEU 26 -7.410 -8.250 2.237 183 HB3 LEU 26 HB3 LEU 26 -5.802 -8.155 1.574 184 HG LEU 26 HG LEU 26 -6.325 -5.990 0.557 185 HD11 LEU 26 HD11 LEU 26 -9.036 -6.281 1.835 186 HD12 LEU 26 HD12 LEU 26 -8.695 -6.325 0.104 187 HD13 LEU 26 HD13 LEU 26 -8.412 -4.846 1.019 188 HD21 LEU 26 HD21 LEU 26 -5.451 -6.069 2.801 189 HD22 LEU 26 HD22 LEU 26 -7.086 -6.182 3.454 190 HD23 LEU 26 HD23 LEU 26 -6.569 -4.719 2.615 191 H SER 27 H SER 27 -8.220 -10.949 0.914 192 HA SER 27 HA SER 27 -5.668 -12.287 0.944 193 HB2 SER 27 HB2 SER 27 -8.403 -13.482 1.407 194 HB3 SER 27 HB3 SER 27 -6.829 -14.173 1.828 195 HG SER 27 HG SER 27 -7.169 -11.684 2.920 196 H GLY 28 H GLY 28 -5.065 -12.215 -1.164 197 HA2 GLY 28 HA2 GLY 28 -5.160 -14.202 -2.829 198 HA3 GLY 28 HA3 GLY 28 -6.720 -13.452 -3.188 199 H ASP 29 H ASP 29 -6.207 -12.695 -5.194 200 HA ASP 29 HA ASP 29 -3.874 -10.967 -5.383 201 HB2 ASP 29 HB2 ASP 29 -4.070 -12.518 -7.234 202 HB3 ASP 29 HB3 ASP 29 -5.700 -11.945 -7.582 203 H PHE 30 H PHE 30 -4.708 -9.425 -4.031 204 HA PHE 30 HA PHE 30 -6.930 -7.871 -5.028 205 HB2 PHE 30 HB2 PHE 30 -6.845 -6.592 -3.008 206 HB3 PHE 30 HB3 PHE 30 -6.513 -8.249 -2.559 207 HD1 PHE 30 HD2 PHE 30 -4.093 -8.925 -2.206 208 HD2 PHE 30 HD1 PHE 30 -5.363 -4.877 -2.409 209 HE1 PHE 30 HE2 PHE 30 -2.035 -8.228 -1.060 210 HE2 PHE 30 HE1 PHE 30 -3.303 -4.178 -1.272 211 HZ PHE 30 HZ PHE 30 -1.685 -5.776 -0.562 212 H LEU 31 H LEU 31 -3.691 -8.050 -5.664 213 HA LEU 31 HA LEU 31 -2.783 -5.419 -5.849 214 HB2 LEU 31 HB2 LEU 31 -1.969 -7.582 -7.794 215 HB3 LEU 31 HB3 LEU 31 -1.103 -6.151 -7.355 216 HG LEU 31 HG LEU 31 -1.601 -8.472 -5.509 217 HD11 LEU 31 HD11 LEU 31 0.904 -7.518 -6.873 218 HD12 LEU 31 HD12 LEU 31 0.000 -8.984 -7.251 219 HD13 LEU 31 HD13 LEU 31 0.808 -8.822 -5.690 220 HD21 LEU 31 HD21 LEU 31 -0.088 -7.321 -3.972 221 HD22 LEU 31 HD22 LEU 31 -1.532 -6.356 -4.279 222 HD23 LEU 31 HD23 LEU 31 -0.010 -5.939 -5.068 223 H ASP 32 H ASP 32 -4.877 -7.149 -7.972 224 HA ASP 32 HA ASP 32 -4.664 -5.136 -10.084 225 HB2 ASP 32 HB2 ASP 32 -4.696 -7.542 -10.641 226 HB3 ASP 32 HB3 ASP 32 -6.301 -7.676 -9.942 227 H LEU 33 H LEU 33 -6.537 -5.813 -7.351 228 HA LEU 33 HA LEU 33 -9.031 -4.735 -8.320 229 HB2 LEU 33 HB2 LEU 33 -8.155 -5.362 -5.504 230 HB3 LEU 33 HB3 LEU 33 -9.795 -5.084 -6.054 231 HG LEU 33 HG LEU 33 -8.051 -7.438 -6.742 232 HD11 LEU 33 HD11 LEU 33 -8.881 -7.474 -4.487 233 HD12 LEU 33 HD12 LEU 33 -9.699 -8.692 -5.473 234 HD13 LEU 33 HD13 LEU 33 -10.519 -7.179 -5.072 235 HD21 LEU 33 HD21 LEU 33 -10.892 -6.836 -7.571 236 HD22 LEU 33 HD22 LEU 33 -10.027 -8.343 -7.870 237 HD23 LEU 33 HD23 LEU 33 -9.483 -6.849 -8.633 238 H ARG 34 H ARG 34 -9.454 -2.655 -8.285 239 HA ARG 34 HA ARG 34 -7.262 -0.901 -7.707 240 HB2 ARG 34 HB2 ARG 34 -10.026 -0.104 -8.565 241 HB3 ARG 34 HB3 ARG 34 -8.536 0.811 -8.743 242 HG2 ARG 34 HG2 ARG 34 -7.714 -1.054 -10.223 243 HG3 ARG 34 HG3 ARG 34 -9.365 -1.675 -10.199 244 HD2 ARG 34 HD2 ARG 34 -8.399 0.972 -11.226 245 HD3 ARG 34 HD3 ARG 34 -9.100 -0.348 -12.150 246 HE ARG 34 HE ARG 34 -10.982 0.455 -10.259 247 HH11 ARG 34 HH11 ARG 34 -9.491 1.612 -13.209 248 HH12 ARG 34 HH12 ARG 34 -10.629 2.835 -13.523 249 HH21 ARG 34 HH21 ARG 34 -12.572 2.028 -10.642 250 HH22 ARG 34 HH22 ARG 34 -12.455 3.098 -11.973 251 H PHE 35 H PHE 35 -7.110 0.708 -6.259 252 HA PHE 35 HA PHE 35 -8.075 0.392 -3.720 253 HB2 PHE 35 HB2 PHE 35 -7.005 2.859 -5.066 254 HB3 PHE 35 HB3 PHE 35 -7.446 2.834 -3.364 255 HD1 PHE 35 HD2 PHE 35 -6.306 1.044 -1.899 256 HD2 PHE 35 HD1 PHE 35 -4.877 2.223 -5.722 257 HE1 PHE 35 HE2 PHE 35 -4.073 0.196 -1.317 258 HE2 PHE 35 HE1 PHE 35 -2.642 1.382 -5.147 259 HZ PHE 35 HZ PHE 35 -2.234 0.372 -2.942 260 H GLU 36 H GLU 36 -9.423 2.531 -6.208 261 HA GLU 36 HA GLU 36 -11.414 3.762 -4.713 262 HB2 GLU 36 HB2 GLU 36 -11.608 2.875 -7.595 263 HB3 GLU 36 HB3 GLU 36 -12.690 4.014 -6.813 264 HG2 GLU 36 HG2 GLU 36 -10.756 5.517 -6.450 265 HG3 GLU 36 HG3 GLU 36 -9.758 4.383 -7.361 266 H ASP 37 H ASP 37 -11.358 0.540 -6.055 267 HA ASP 37 HA ASP 37 -14.188 0.133 -5.555 268 HB2 ASP 37 HB2 ASP 37 -13.007 -0.793 -7.580 269 HB3 ASP 37 HB3 ASP 37 -12.176 -1.906 -6.497 270 H ILE 38 H ILE 38 -11.148 -0.552 -4.028 271 HA ILE 38 HA ILE 38 -12.424 -2.507 -2.290 272 HB ILE 38 HB ILE 38 -10.197 -2.940 -1.304 273 HG12 ILE 38 HG12 ILE 38 -9.212 -0.972 -3.388 274 HG13 ILE 38 HG13 ILE 38 -9.206 -0.715 -1.652 275 HG21 ILE 38 HG21 ILE 38 -10.323 -3.139 -4.305 276 HG22 ILE 38 HG22 ILE 38 -10.975 -4.294 -3.137 277 HG23 ILE 38 HG23 ILE 38 -9.230 -4.046 -3.255 278 HD11 ILE 38 HD11 ILE 38 -7.003 -1.285 -2.460 279 HD12 ILE 38 HD12 ILE 38 -7.616 -2.789 -3.147 280 HD13 ILE 38 HD13 ILE 38 -7.610 -2.556 -1.398 281 H GLY 39 H GLY 39 -12.574 0.577 -2.227 282 HA2 GLY 39 HA2 GLY 39 -13.494 1.835 -0.475 283 HA3 GLY 39 HA3 GLY 39 -12.932 0.621 0.658 284 H TYR 40 H TYR 40 -10.795 2.105 -1.703 285 HA TYR 40 HA TYR 40 -9.580 3.597 0.480 286 HB2 TYR 40 HB2 TYR 40 -8.323 1.914 -1.642 287 HB3 TYR 40 HB3 TYR 40 -7.432 3.301 -1.028 288 HD1 TYR 40 HD1 TYR 40 -9.308 0.305 0.225 289 HD2 TYR 40 HD2 TYR 40 -6.112 3.035 0.804 290 HE1 TYR 40 HE1 TYR 40 -8.593 -0.962 2.197 291 HE2 TYR 40 HE2 TYR 40 -5.383 1.786 2.768 292 HH TYR 40 HH TYR 40 -6.662 -1.269 3.598 293 H ASP 41 H ASP 41 -9.864 5.606 0.307 294 HA ASP 41 HA ASP 41 -10.413 6.880 -2.274 295 HB2 ASP 41 HB2 ASP 41 -10.505 7.900 0.533 296 HB3 ASP 41 HB3 ASP 41 -10.997 8.832 -0.875 297 H SER 42 H SER 42 -8.389 7.258 0.586 298 HA SER 42 HA SER 42 -6.070 8.231 -0.633 299 HB2 SER 42 HB2 SER 42 -7.336 10.114 -1.377 300 HB3 SER 42 HB3 SER 42 -8.025 10.386 0.232 301 H LEU 43 H LEU 43 -8.221 8.913 2.171 302 HA LEU 43 HA LEU 43 -6.097 9.544 3.901 303 HB2 LEU 43 HB2 LEU 43 -8.880 8.602 4.577 304 HB3 LEU 43 HB3 LEU 43 -7.747 9.282 5.726 305 HG LEU 43 HG LEU 43 -8.944 10.738 3.366 306 HD11 LEU 43 HD11 LEU 43 -10.573 10.308 5.120 307 HD12 LEU 43 HD12 LEU 43 -10.151 12.020 5.056 308 HD13 LEU 43 HD13 LEU 43 -9.476 10.991 6.319 309 HD21 LEU 43 HD21 LEU 43 -7.150 11.725 5.584 310 HD22 LEU 43 HD22 LEU 43 -7.905 12.726 4.345 311 HD23 LEU 43 HD23 LEU 43 -6.693 11.525 3.892 312 H ALA 44 H ALA 44 -7.976 6.547 3.619 313 HA ALA 44 HA ALA 44 -6.411 5.100 5.478 314 HB1 ALA 44 HB1 ALA 44 -8.062 4.050 3.178 315 HB2 ALA 44 HB2 ALA 44 -8.661 4.388 4.802 316 HB3 ALA 44 HB3 ALA 44 -7.476 3.106 4.548 317 H LEU 45 H LEU 45 -6.140 5.702 2.084 318 HA LEU 45 HA LEU 45 -4.220 3.696 1.510 319 HB2 LEU 45 HB2 LEU 45 -5.839 4.933 -0.029 320 HB3 LEU 45 HB3 LEU 45 -4.701 6.235 -0.106 321 HG LEU 45 HG LEU 45 -4.349 3.392 -1.095 322 HD11 LEU 45 HD11 LEU 45 -4.247 4.416 -3.300 323 HD12 LEU 45 HD12 LEU 45 -4.577 5.988 -2.574 324 HD13 LEU 45 HD13 LEU 45 -5.785 4.702 -2.485 325 HD21 LEU 45 HD21 LEU 45 -2.177 4.217 -0.304 326 HD22 LEU 45 HD22 LEU 45 -2.364 5.664 -1.298 327 HD23 LEU 45 HD23 LEU 45 -2.204 4.082 -2.062 328 H MET 46 H MET 46 -3.988 7.126 2.336 329 HA MET 46 HA MET 46 -1.146 7.275 2.173 330 HB2 MET 46 HB2 MET 46 -3.139 9.032 3.619 331 HB3 MET 46 HB3 MET 46 -1.427 9.400 3.468 332 HG2 MET 46 HG2 MET 46 -1.634 9.499 1.068 333 HG3 MET 46 HG3 MET 46 -3.331 9.047 1.178 334 HE1 MET 46 HE1 MET 46 -1.381 11.516 3.565 335 HE2 MET 46 HE2 MET 46 -1.696 13.066 2.785 336 HE3 MET 46 HE3 MET 46 -0.691 11.861 1.979 337 H GLU 47 H GLU 47 -3.389 6.266 4.564 338 HA GLU 47 HA GLU 47 -1.722 6.302 6.861 339 HB2 GLU 47 HB2 GLU 47 -4.271 6.017 6.495 340 HB3 GLU 47 HB3 GLU 47 -3.925 4.320 6.276 341 HG2 GLU 47 HG2 GLU 47 -3.438 5.931 8.788 342 HG3 GLU 47 HG3 GLU 47 -4.708 4.748 8.538 343 H THR 48 H THR 48 -2.554 3.897 4.385 344 HA THR 48 HA THR 48 -0.965 1.728 5.066 345 HB THR 48 HB THR 48 -1.653 2.870 2.346 346 HG1 THR 48 HG1 THR 48 -3.134 1.267 4.151 347 HG21 THR 48 HG21 THR 48 -0.885 0.051 3.109 348 HG22 THR 48 HG22 THR 48 0.093 1.182 2.170 349 HG23 THR 48 HG23 THR 48 -1.426 0.571 1.513 350 H ALA 49 H ALA 49 -0.287 4.376 2.791 351 HA ALA 49 HA ALA 49 2.306 3.712 2.085 352 HB1 ALA 49 HB1 ALA 49 2.506 5.958 1.210 353 HB2 ALA 49 HB2 ALA 49 1.117 6.477 2.164 354 HB3 ALA 49 HB3 ALA 49 0.904 5.306 0.862 355 H ALA 50 H ALA 50 1.293 6.049 4.608 356 HA ALA 50 HA ALA 50 3.827 6.960 5.327 357 HB1 ALA 50 HB1 ALA 50 2.826 7.706 7.401 358 HB2 ALA 50 HB2 ALA 50 1.438 6.651 7.131 359 HB3 ALA 50 HB3 ALA 50 1.737 8.010 6.048 360 H ARG 51 H ARG 51 2.045 4.187 6.510 361 HA ARG 51 HA ARG 51 3.860 3.448 8.540 362 HB2 ARG 51 HB2 ARG 51 1.716 1.990 7.056 363 HB3 ARG 51 HB3 ARG 51 2.726 1.177 8.247 364 HG2 ARG 51 HG2 ARG 51 1.913 2.471 9.997 365 HG3 ARG 51 HG3 ARG 51 1.268 3.700 8.904 366 HD2 ARG 51 HD2 ARG 51 -0.481 2.249 9.897 367 HD3 ARG 51 HD3 ARG 51 -0.425 2.215 8.139 368 HE ARG 51 HE ARG 51 1.037 0.122 9.428 369 HH11 ARG 51 HH11 ARG 51 -2.111 1.254 8.255 370 HH12 ARG 51 HH12 ARG 51 -2.608 -0.275 7.693 371 HH21 ARG 51 HH21 ARG 51 0.318 -2.024 8.744 372 HH22 ARG 51 HH22 ARG 51 -1.214 -2.221 8.067 373 H LEU 52 H LEU 52 3.530 2.386 5.165 374 HA LEU 52 HA LEU 52 5.672 0.531 5.372 375 HB2 LEU 52 HB2 LEU 52 4.738 1.823 2.777 376 HB3 LEU 52 HB3 LEU 52 5.584 0.292 3.001 377 HG LEU 52 HG LEU 52 2.764 0.795 3.884 378 HD11 LEU 52 HD11 LEU 52 3.867 -0.740 1.544 379 HD12 LEU 52 HD12 LEU 52 2.962 0.773 1.463 380 HD13 LEU 52 HD13 LEU 52 2.178 -0.698 2.045 381 HD21 LEU 52 HD21 LEU 52 4.443 -1.713 3.826 382 HD22 LEU 52 HD22 LEU 52 2.733 -1.626 4.251 383 HD23 LEU 52 HD23 LEU 52 3.939 -0.840 5.271 384 H GLU 53 H GLU 53 5.486 3.936 4.517 385 HA GLU 53 HA GLU 53 8.116 4.387 3.702 386 HB2 GLU 53 HB2 GLU 53 6.320 6.198 5.324 387 HB3 GLU 53 HB3 GLU 53 7.858 6.694 4.645 388 HG2 GLU 53 HG2 GLU 53 6.956 6.231 2.397 389 HG3 GLU 53 HG3 GLU 53 5.399 5.858 3.141 390 H SER 54 H SER 54 6.797 4.778 6.955 391 HA SER 54 HA SER 54 9.276 5.344 8.122 392 HB2 SER 54 HB2 SER 54 7.978 4.870 10.293 393 HB3 SER 54 HB3 SER 54 7.399 6.172 9.252 394 HG SER 54 HG SER 54 5.711 4.944 8.614 395 H ARG 55 H ARG 55 7.454 2.321 7.954 396 HA ARG 55 HA ARG 55 9.210 0.824 9.556 397 HB2 ARG 55 HB2 ARG 55 6.954 0.087 9.251 398 HB3 ARG 55 HB3 ARG 55 7.180 -0.057 7.516 399 HG2 ARG 55 HG2 ARG 55 8.690 -1.905 7.821 400 HG3 ARG 55 HG3 ARG 55 8.632 -1.707 9.572 401 HD2 ARG 55 HD2 ARG 55 6.281 -2.385 7.818 402 HD3 ARG 55 HD3 ARG 55 7.207 -3.549 8.762 403 HE ARG 55 HE ARG 55 5.772 -1.307 10.029 404 HH11 ARG 55 HH11 ARG 55 6.442 -4.794 9.822 405 HH12 ARG 55 HH12 ARG 55 5.585 -5.144 11.266 406 HH21 ARG 55 HH21 ARG 55 4.633 -1.792 11.876 407 HH22 ARG 55 HH22 ARG 55 4.524 -3.379 12.507 408 H TYR 56 H TYR 56 9.100 1.169 5.999 409 HA TYR 56 HA TYR 56 11.309 -0.729 5.873 410 HB2 TYR 56 HB2 TYR 56 9.572 0.369 3.663 411 HB3 TYR 56 HB3 TYR 56 10.889 -0.777 3.422 412 HD1 TYR 56 HD2 TYR 56 10.715 -3.061 4.490 413 HD2 TYR 56 HD1 TYR 56 7.440 -0.362 4.365 414 HE1 TYR 56 HE2 TYR 56 9.178 -4.924 4.924 415 HE2 TYR 56 HE1 TYR 56 5.887 -2.219 4.797 416 HH TYR 56 HH TYR 56 6.918 -5.259 5.862 417 H GLY 57 H GLY 57 10.795 2.658 5.577 418 HA2 GLY 57 HA2 GLY 57 12.604 4.162 5.659 419 HA3 GLY 57 HA3 GLY 57 13.639 2.924 4.959 420 H VAL 58 H VAL 58 10.529 3.566 3.636 421 HA VAL 58 HA VAL 58 11.826 4.666 1.257 422 HB VAL 58 HB VAL 58 9.827 4.103 -0.045 423 HG11 VAL 58 HG11 VAL 58 11.493 2.388 0.051 424 HG12 VAL 58 HG12 VAL 58 9.873 1.668 0.078 425 HG13 VAL 58 HG13 VAL 58 10.814 1.773 1.563 426 HG21 VAL 58 HG21 VAL 58 8.000 2.794 0.883 427 HG22 VAL 58 HG22 VAL 58 8.121 4.378 1.653 428 HG23 VAL 58 HG23 VAL 58 8.709 2.934 2.492 429 H SER 59 H SER 59 10.210 6.203 0.012 430 HA SER 59 HA SER 59 8.743 7.877 1.879 431 HB2 SER 59 HB2 SER 59 10.805 8.884 -0.101 432 HB3 SER 59 HB3 SER 59 9.787 9.887 0.938 433 HG SER 59 HG SER 59 11.107 7.949 2.286 434 H ILE 60 H ILE 60 6.789 8.154 1.094 435 HA ILE 60 HA ILE 60 6.354 7.941 -1.807 436 HB ILE 60 HB ILE 60 4.487 7.050 0.418 437 HG12 ILE 60 HG12 ILE 60 6.305 5.455 0.053 438 HG13 ILE 60 HG13 ILE 60 4.777 4.785 -0.502 439 HG21 ILE 60 HG21 ILE 60 2.985 6.243 -1.354 440 HG22 ILE 60 HG22 ILE 60 4.041 6.972 -2.567 441 HG23 ILE 60 HG23 ILE 60 3.198 7.994 -1.405 442 HD11 ILE 60 HD11 ILE 60 6.585 4.248 -2.038 443 HD12 ILE 60 HD12 ILE 60 6.936 5.964 -2.247 444 HD13 ILE 60 HD13 ILE 60 5.403 5.303 -2.818 445 HA PRO 61 HA PRO 61 5.085 12.230 -1.135 446 HB2 PRO 61 HB2 PRO 61 4.415 11.890 -4.012 447 HB3 PRO 61 HB3 PRO 61 5.387 13.140 -3.226 448 HG2 PRO 61 HG2 PRO 61 6.561 11.240 -4.657 449 HG3 PRO 61 HG3 PRO 61 7.281 11.794 -3.134 450 HD2 PRO 61 HD2 PRO 61 5.702 9.313 -3.690 451 HD3 PRO 61 HD3 PRO 61 7.158 9.522 -2.694 452 H ASP 62 H ASP 62 3.152 13.163 -0.811 453 HA ASP 62 HA ASP 62 0.804 11.701 -0.500 454 HB2 ASP 62 HB2 ASP 62 -0.363 13.812 -0.074 455 HB3 ASP 62 HB3 ASP 62 1.207 13.806 0.711 456 H ASP 63 H ASP 63 1.877 13.474 -3.309 457 HA ASP 63 HA ASP 63 -0.637 13.502 -4.691 458 HB2 ASP 63 HB2 ASP 63 2.162 13.575 -5.839 459 HB3 ASP 63 HB3 ASP 63 0.702 13.793 -6.782 460 H VAL 64 H VAL 64 1.899 11.227 -4.339 461 HA VAL 64 HA VAL 64 1.013 9.489 -6.467 462 HB VAL 64 HB VAL 64 2.830 8.896 -4.144 463 HG11 VAL 64 HG11 VAL 64 2.457 7.629 -6.848 464 HG12 VAL 64 HG12 VAL 64 1.991 6.925 -5.302 465 HG13 VAL 64 HG13 VAL 64 3.708 7.135 -5.699 466 HG21 VAL 64 HG21 VAL 64 3.709 10.797 -5.387 467 HG22 VAL 64 HG22 VAL 64 3.547 9.906 -6.902 468 HG23 VAL 64 HG23 VAL 64 4.706 9.374 -5.685 469 H ALA 65 H ALA 65 1.030 9.466 -2.949 470 HA ALA 65 HA ALA 65 -0.218 7.040 -2.488 471 HB1 ALA 65 HB1 ALA 65 -0.460 9.541 -0.837 472 HB2 ALA 65 HB2 ALA 65 0.860 8.373 -0.734 473 HB3 ALA 65 HB3 ALA 65 -0.785 7.901 -0.290 474 H GLY 66 H GLY 66 -1.759 10.253 -2.794 475 HA2 GLY 66 HA2 GLY 66 -4.341 8.977 -2.596 476 HA3 GLY 66 HA3 GLY 66 -4.024 10.698 -2.732 477 H ARG 67 H ARG 67 -2.509 8.597 -5.072 478 HA ARG 67 HA ARG 67 -4.710 9.126 -6.946 479 HB2 ARG 67 HB2 ARG 67 -1.845 9.767 -7.468 480 HB3 ARG 67 HB3 ARG 67 -3.034 9.588 -8.739 481 HG2 ARG 67 HG2 ARG 67 -4.324 11.437 -7.601 482 HG3 ARG 67 HG3 ARG 67 -2.879 11.688 -6.605 483 HD2 ARG 67 HD2 ARG 67 -2.775 13.144 -8.543 484 HD3 ARG 67 HD3 ARG 67 -1.546 11.860 -8.632 485 HE ARG 67 HE ARG 67 -4.086 11.333 -9.923 486 HH11 ARG 67 HH11 ARG 67 -0.803 12.536 -10.453 487 HH12 ARG 67 HH12 ARG 67 -0.666 11.846 -12.018 488 HH21 ARG 67 HH21 ARG 67 -3.901 10.465 -12.081 489 HH22 ARG 67 HH22 ARG 67 -2.508 10.775 -13.011 490 H VAL 68 H VAL 68 -2.619 6.800 -5.748 491 HA VAL 68 HA VAL 68 -2.191 5.531 -8.252 492 HB VAL 68 HB VAL 68 -1.379 3.525 -6.835 493 HG11 VAL 68 HG11 VAL 68 0.105 5.106 -7.932 494 HG12 VAL 68 HG12 VAL 68 0.745 4.664 -6.350 495 HG13 VAL 68 HG13 VAL 68 -0.058 6.222 -6.578 496 HG21 VAL 68 HG21 VAL 68 -0.739 4.062 -4.546 497 HG22 VAL 68 HG22 VAL 68 -2.501 4.149 -4.720 498 HG23 VAL 68 HG23 VAL 68 -1.525 5.629 -4.682 499 H ASP 69 H ASP 69 -3.119 4.026 -9.229 500 HA ASP 69 HA ASP 69 -5.923 3.661 -8.697 501 HB2 ASP 69 HB2 ASP 69 -5.188 4.203 -10.924 502 HB3 ASP 69 HB3 ASP 69 -4.130 2.807 -10.962 503 H THR 70 H THR 70 -3.306 1.308 -9.430 504 HA THR 70 HA THR 70 -4.939 -0.616 -7.978 505 HB THR 70 HB THR 70 -3.563 -2.354 -9.226 506 HG1 THR 70 HG1 THR 70 -2.624 -1.584 -11.188 507 HG21 THR 70 HG21 THR 70 -4.911 -2.138 -11.280 508 HG22 THR 70 HG22 THR 70 -5.309 -0.480 -10.815 509 HG23 THR 70 HG23 THR 70 -5.870 -1.831 -9.827 510 HA PRO 71 HA PRO 71 -1.953 -1.008 -4.725 511 HB2 PRO 71 HB2 PRO 71 -2.510 -3.923 -5.117 512 HB3 PRO 71 HB3 PRO 71 -2.491 -2.983 -3.619 513 HG2 PRO 71 HG2 PRO 71 -4.791 -3.648 -4.690 514 HG3 PRO 71 HG3 PRO 71 -4.558 -2.001 -4.066 515 HD2 PRO 71 HD2 PRO 71 -4.537 -2.979 -6.892 516 HD3 PRO 71 HD3 PRO 71 -5.230 -1.487 -6.223 517 H ARG 72 H ARG 72 -1.837 -3.176 -7.506 518 HA ARG 72 HA ARG 72 0.732 -4.169 -7.315 519 HB2 ARG 72 HB2 ARG 72 -1.154 -4.670 -9.031 520 HB3 ARG 72 HB3 ARG 72 -0.438 -3.369 -9.972 521 HG2 ARG 72 HG2 ARG 72 1.711 -4.590 -9.964 522 HG3 ARG 72 HG3 ARG 72 0.921 -5.914 -9.107 523 HD2 ARG 72 HD2 ARG 72 0.977 -6.489 -11.423 524 HD3 ARG 72 HD3 ARG 72 -0.690 -6.069 -11.028 525 HE ARG 72 HE ARG 72 0.312 -3.732 -11.865 526 HH11 ARG 72 HH11 ARG 72 0.112 -6.951 -13.394 527 HH12 ARG 72 HH12 ARG 72 0.396 -6.357 -14.957 528 HH21 ARG 72 HH21 ARG 72 0.631 -2.949 -14.068 529 HH22 ARG 72 HH22 ARG 72 0.666 -4.083 -15.352 530 H GLU 73 H GLU 73 -0.356 -1.000 -8.474 531 HA GLU 73 HA GLU 73 2.048 0.011 -9.579 532 HB2 GLU 73 HB2 GLU 73 -0.244 1.431 -8.194 533 HB3 GLU 73 HB3 GLU 73 1.059 2.258 -9.017 534 HG2 GLU 73 HG2 GLU 73 -0.807 0.333 -10.371 535 HG3 GLU 73 HG3 GLU 73 -1.096 2.068 -10.264 536 H LEU 74 H LEU 74 0.573 0.410 -6.406 537 HA LEU 74 HA LEU 74 2.605 2.047 -5.287 538 HB2 LEU 74 HB2 LEU 74 0.140 1.844 -4.638 539 HB3 LEU 74 HB3 LEU 74 0.552 0.356 -3.834 540 HG LEU 74 HG LEU 74 0.224 2.274 -2.308 541 HD11 LEU 74 HD11 LEU 74 1.596 0.463 -1.526 542 HD12 LEU 74 HD12 LEU 74 2.199 2.004 -0.916 543 HD13 LEU 74 HD13 LEU 74 3.027 1.195 -2.251 544 HD21 LEU 74 HD21 LEU 74 2.675 3.414 -3.639 545 HD22 LEU 74 HD22 LEU 74 1.912 4.049 -2.181 546 HD23 LEU 74 HD23 LEU 74 1.034 4.059 -3.708 547 H LEU 75 H LEU 75 1.949 -1.383 -5.250 548 HA LEU 75 HA LEU 75 3.786 -2.306 -3.381 549 HB2 LEU 75 HB2 LEU 75 2.026 -3.620 -4.589 550 HB3 LEU 75 HB3 LEU 75 3.064 -3.615 -6.001 551 HG LEU 75 HG LEU 75 4.783 -4.819 -4.651 552 HD11 LEU 75 HD11 LEU 75 4.056 -5.891 -2.585 553 HD12 LEU 75 HD12 LEU 75 2.528 -5.014 -2.672 554 HD13 LEU 75 HD13 LEU 75 4.039 -4.132 -2.455 555 HD21 LEU 75 HD21 LEU 75 2.092 -6.158 -4.920 556 HD22 LEU 75 HD22 LEU 75 3.643 -6.982 -4.756 557 HD23 LEU 75 HD23 LEU 75 3.308 -6.010 -6.188 558 H ASP 76 H ASP 76 4.176 -1.680 -6.833 559 HA ASP 76 HA ASP 76 6.926 -2.491 -6.924 560 HB2 ASP 76 HB2 ASP 76 5.411 -2.609 -8.902 561 HB3 ASP 76 HB3 ASP 76 5.362 -0.856 -8.923 562 H LEU 77 H LEU 77 5.195 0.494 -6.569 563 HA LEU 77 HA LEU 77 7.294 2.315 -6.881 564 HB2 LEU 77 HB2 LEU 77 4.772 2.457 -5.250 565 HB3 LEU 77 HB3 LEU 77 5.816 3.841 -5.422 566 HG LEU 77 HG LEU 77 4.346 2.425 -7.645 567 HD11 LEU 77 HD11 LEU 77 3.923 5.126 -6.388 568 HD12 LEU 77 HD12 LEU 77 2.886 3.710 -6.199 569 HD13 LEU 77 HD13 LEU 77 3.049 4.480 -7.776 570 HD21 LEU 77 HD21 LEU 77 5.122 4.263 -9.067 571 HD22 LEU 77 HD22 LEU 77 6.476 3.322 -8.433 572 HD23 LEU 77 HD23 LEU 77 6.085 4.891 -7.731 573 H ILE 78 H ILE 78 6.265 0.470 -4.070 574 HA ILE 78 HA ILE 78 8.064 1.672 -2.235 575 HB ILE 78 HB ILE 78 6.873 -1.121 -2.197 576 HG12 ILE 78 HG12 ILE 78 5.174 0.649 -2.079 577 HG13 ILE 78 HG13 ILE 78 5.302 -0.197 -0.541 578 HG21 ILE 78 HG21 ILE 78 8.284 0.394 0.011 579 HG22 ILE 78 HG22 ILE 78 8.895 -1.028 -0.831 580 HG23 ILE 78 HG23 ILE 78 7.466 -1.158 0.195 581 HD11 ILE 78 HD11 ILE 78 5.074 2.171 -0.155 582 HD12 ILE 78 HD12 ILE 78 6.438 2.496 -1.222 583 HD13 ILE 78 HD13 ILE 78 6.709 1.661 0.302 584 H ASN 79 H ASN 79 8.270 -1.331 -4.130 585 HA ASN 79 HA ASN 79 10.818 -2.073 -3.253 586 HB2 ASN 79 HB2 ASN 79 9.424 -2.762 -5.841 587 HB3 ASN 79 HB3 ASN 79 10.929 -3.506 -5.309 588 HD21 ASN 79 HD21 ASN 79 8.370 -4.732 -5.779 589 HD22 ASN 79 HD22 ASN 79 7.889 -5.478 -4.291 590 H GLY 80 H GLY 80 9.906 -0.121 -6.047 591 HA2 GLY 80 HA2 GLY 80 12.506 0.295 -7.048 592 HA3 GLY 80 HA3 GLY 80 11.144 1.388 -7.274 593 H ALA 81 H ALA 81 10.690 1.878 -4.509 594 HA ALA 81 HA ALA 81 12.560 3.966 -4.085 595 HB1 ALA 81 HB1 ALA 81 10.447 2.896 -2.203 596 HB2 ALA 81 HB2 ALA 81 10.206 4.167 -3.398 597 HB3 ALA 81 HB3 ALA 81 11.300 4.429 -2.041 598 H LEU 82 H LEU 82 12.023 0.795 -2.622 599 HA LEU 82 HA LEU 82 13.839 0.843 -0.517 600 HB2 LEU 82 HB2 LEU 82 12.941 -1.435 -2.261 601 HB3 LEU 82 HB3 LEU 82 14.003 -1.674 -0.894 602 HG LEU 82 HG LEU 82 11.215 -0.519 -0.701 603 HD11 LEU 82 HD11 LEU 82 10.607 -2.697 0.237 604 HD12 LEU 82 HD12 LEU 82 12.235 -3.294 -0.085 605 HD13 LEU 82 HD13 LEU 82 11.172 -2.859 -1.426 606 HD21 LEU 82 HD21 LEU 82 11.510 -0.925 1.698 607 HD22 LEU 82 HD22 LEU 82 12.724 0.197 1.083 608 HD23 LEU 82 HD23 LEU 82 13.160 -1.481 1.402 609 H ALA 83 H ALA 83 14.461 0.471 -3.905 610 HA ALA 83 HA ALA 83 17.053 -0.585 -3.816 611 HB1 ALA 83 HB1 ALA 83 17.306 0.254 -6.080 612 HB2 ALA 83 HB2 ALA 83 15.896 1.290 -5.871 613 HB3 ALA 83 HB3 ALA 83 15.708 -0.466 -5.863 614 H GLU 84 H GLU 84 15.893 2.601 -3.213 615 HA GLU 84 HA GLU 84 18.667 3.593 -2.964 616 HB2 GLU 84 HB2 GLU 84 17.431 4.892 -4.587 617 HB3 GLU 84 HB3 GLU 84 16.090 5.102 -3.469 618 HG2 GLU 84 HG2 GLU 84 17.524 6.436 -2.009 619 HG3 GLU 84 HG3 GLU 84 18.862 6.231 -3.135 620 H ALA 85 H ALA 85 15.494 3.467 -1.510 621 HA ALA 85 HA ALA 85 14.619 3.759 0.424 622 HB1 ALA 85 HB1 ALA 85 15.867 3.289 2.505 623 HB2 ALA 85 HB2 ALA 85 17.391 3.320 1.606 624 HB3 ALA 85 HB3 ALA 85 16.192 2.079 1.270 625 H ALA 86 H ALA 86 17.451 5.341 1.802 626 HA ALA 86 HA ALA 86 16.736 7.935 1.006 627 HB1 ALA 86 HB1 ALA 86 15.998 7.134 3.840 628 HB2 ALA 86 HB2 ALA 86 14.858 7.585 2.570 629 HB3 ALA 86 HB3 ALA 86 15.989 8.781 3.202 630 H28 SXA 87 H28A SXA 87 -7.747 13.885 0.544 631 H28A SXA 87 H28B SXA 87 -7.069 12.775 1.739 632 H30 SXA 87 H30A SXA 87 -4.535 14.153 2.311 633 H30A SXA 87 H30B SXA 87 -5.663 13.550 3.524 634 H30B SXA 87 H30C SXA 87 -5.098 15.218 3.598 635 H31 SXA 87 H31A SXA 87 -6.974 16.339 0.563 636 H31A SXA 87 H31B SXA 87 -5.284 15.836 0.625 637 H31B SXA 87 H31C SXA 87 -5.934 16.900 1.873 638 H32 SXA 87 H32A SXA 87 -8.051 14.367 3.600 639 HO33 SXA 87 H33A SXA 87 -9.383 16.179 2.401 640 HN36 SXA 87 H36A SXA 87 -6.134 15.783 4.692 641 H37 SXA 87 H37A SXA 87 -6.368 18.603 4.850 642 H37A SXA 87 H37B SXA 87 -7.227 17.825 6.177 643 H38 SXA 87 H38A SXA 87 -4.990 18.388 6.876 644 H38A SXA 87 H38B SXA 87 -5.173 16.633 6.814 645 HN41 SXA 87 H41A SXA 87 -2.797 16.954 6.909 646 H42 SXA 87 H42A SXA 87 -1.501 16.167 4.603 647 H42A SXA 87 H42B SXA 87 -1.227 17.906 4.763 648 H43 SXA 87 H43A SXA 87 -0.296 17.551 7.003 649 H43A SXA 87 H43B SXA 87 0.580 16.571 5.809 650 H2 SXA 87 H2C SXA 87 1.357 13.597 9.327 651 H2A SXA 87 H2A SXA 87 -0.409 13.648 9.245 652 H2B SXA 87 H2B SXA 87 0.455 14.704 10.371 Start of MODEL 20 1 H1 MET 1 H1 MET 1 18.613 -8.707 0.720 2 H2 MET 1 H2 MET 1 20.058 -9.298 0.067 3 H3 MET 1 H3 MET 1 18.856 -8.655 -0.926 4 HA MET 1 HA MET 1 20.248 -7.087 1.145 5 HB2 MET 1 HB2 MET 1 20.549 -6.964 -1.873 6 HB3 MET 1 HB3 MET 1 21.266 -5.837 -0.735 7 HG2 MET 1 HG2 MET 1 22.563 -7.711 0.228 8 HG3 MET 1 HG3 MET 1 21.900 -8.763 -1.022 9 HE1 MET 1 HE1 MET 1 23.368 -7.086 -4.284 10 HE2 MET 1 HE2 MET 1 21.837 -6.686 -3.509 11 HE3 MET 1 HE3 MET 1 22.339 -8.371 -3.648 12 H ALA 2 H ALA 2 18.172 -7.005 -1.781 13 HA ALA 2 HA ALA 2 17.007 -4.537 -0.762 14 HB1 ALA 2 HB1 ALA 2 17.761 -4.520 -3.088 15 HB2 ALA 2 HB2 ALA 2 16.011 -4.329 -2.985 16 HB3 ALA 2 HB3 ALA 2 16.705 -5.884 -3.442 17 H THR 3 H THR 3 15.211 -4.641 0.270 18 HA THR 3 HA THR 3 13.725 -7.088 0.529 19 HB THR 3 HB THR 3 13.081 -4.326 1.582 20 HG1 THR 3 HG1 THR 3 15.188 -4.923 2.178 21 HG21 THR 3 HG21 THR 3 11.949 -5.589 3.367 22 HG22 THR 3 HG22 THR 3 12.401 -7.101 2.580 23 HG23 THR 3 HG23 THR 3 11.286 -5.991 1.783 24 H LEU 4 H LEU 4 12.445 -7.520 -1.257 25 HA LEU 4 HA LEU 4 10.895 -5.273 -2.307 26 HB2 LEU 4 HB2 LEU 4 11.248 -8.027 -3.494 27 HB3 LEU 4 HB3 LEU 4 10.316 -6.728 -4.199 28 HG LEU 4 HG LEU 4 13.311 -6.804 -3.856 29 HD11 LEU 4 HD11 LEU 4 12.477 -8.183 -5.661 30 HD12 LEU 4 HD12 LEU 4 13.314 -6.767 -6.295 31 HD13 LEU 4 HD13 LEU 4 11.550 -6.821 -6.290 32 HD21 LEU 4 HD21 LEU 4 13.329 -4.657 -5.034 33 HD22 LEU 4 HD22 LEU 4 12.476 -4.533 -3.493 34 HD23 LEU 4 HD23 LEU 4 11.565 -4.624 -5.003 35 H LEU 5 H LEU 5 9.095 -5.032 -1.300 36 HA LEU 5 HA LEU 5 7.864 -7.047 0.270 37 HB2 LEU 5 HB2 LEU 5 6.604 -4.521 -0.764 38 HB3 LEU 5 HB3 LEU 5 6.047 -5.501 0.573 39 HG LEU 5 HG LEU 5 8.470 -3.736 0.463 40 HD11 LEU 5 HD11 LEU 5 6.378 -2.625 0.843 41 HD12 LEU 5 HD12 LEU 5 7.346 -2.624 2.318 42 HD13 LEU 5 HD13 LEU 5 5.991 -3.740 2.152 43 HD21 LEU 5 HD21 LEU 5 9.081 -5.787 1.653 44 HD22 LEU 5 HD22 LEU 5 7.647 -5.632 2.668 45 HD23 LEU 5 HD23 LEU 5 8.935 -4.432 2.774 46 H THR 6 H THR 6 6.313 -8.450 -0.225 47 HA THR 6 HA THR 6 5.412 -8.545 -2.986 48 HB THR 6 HB THR 6 4.556 -10.789 -2.347 49 HG1 THR 6 HG1 THR 6 5.924 -10.437 0.118 50 HG21 THR 6 HG21 THR 6 7.451 -10.322 -1.590 51 HG22 THR 6 HG22 THR 6 6.847 -10.582 -3.226 52 HG23 THR 6 HG23 THR 6 6.743 -11.876 -2.031 53 H THR 7 H THR 7 2.996 -9.605 -2.950 54 HA THR 7 HA THR 7 1.254 -7.664 -2.108 55 HB THR 7 HB THR 7 0.505 -10.558 -2.564 56 HG1 THR 7 HG1 THR 7 0.509 -9.938 -4.793 57 HG21 THR 7 HG21 THR 7 -1.284 -8.998 -1.866 58 HG22 THR 7 HG22 THR 7 -1.506 -9.549 -3.528 59 HG23 THR 7 HG23 THR 7 -0.865 -7.936 -3.209 60 H ASP 8 H ASP 8 2.732 -10.156 -0.218 61 HA ASP 8 HA ASP 8 0.733 -10.448 1.774 62 HB2 ASP 8 HB2 ASP 8 2.474 -12.120 1.592 63 HB3 ASP 8 HB3 ASP 8 3.716 -10.913 1.917 64 H ASP 9 H ASP 9 3.661 -8.488 1.594 65 HA ASP 9 HA ASP 9 3.302 -7.178 4.081 66 HB2 ASP 9 HB2 ASP 9 4.977 -6.612 1.677 67 HB3 ASP 9 HB3 ASP 9 4.811 -5.365 2.903 68 H LEU 10 H LEU 10 2.291 -6.488 0.852 69 HA LEU 10 HA LEU 10 1.268 -3.905 1.367 70 HB2 LEU 10 HB2 LEU 10 1.777 -4.852 -0.888 71 HB3 LEU 10 HB3 LEU 10 0.383 -5.893 -0.727 72 HG LEU 10 HG LEU 10 -1.085 -3.916 -0.688 73 HD11 LEU 10 HD11 LEU 10 0.476 -2.307 0.281 74 HD12 LEU 10 HD12 LEU 10 -0.171 -1.713 -1.246 75 HD13 LEU 10 HD13 LEU 10 1.465 -2.371 -1.178 76 HD21 LEU 10 HD21 LEU 10 -0.786 -3.303 -3.033 77 HD22 LEU 10 HD22 LEU 10 -0.587 -5.040 -2.787 78 HD23 LEU 10 HD23 LEU 10 0.828 -4.015 -3.013 79 H ARG 11 H ARG 11 -0.254 -7.125 1.239 80 HA ARG 11 HA ARG 11 -2.836 -6.515 2.015 81 HB2 ARG 11 HB2 ARG 11 -2.302 -8.768 1.385 82 HB3 ARG 11 HB3 ARG 11 -1.124 -8.915 2.682 83 HG2 ARG 11 HG2 ARG 11 -2.900 -8.833 4.336 84 HG3 ARG 11 HG3 ARG 11 -4.095 -8.613 3.060 85 HD2 ARG 11 HD2 ARG 11 -4.038 -10.919 3.843 86 HD3 ARG 11 HD3 ARG 11 -3.561 -10.795 2.155 87 HE ARG 11 HE ARG 11 -1.210 -10.754 3.514 88 HH11 ARG 11 HH11 ARG 11 -4.006 -12.938 3.665 89 HH12 ARG 11 HH12 ARG 11 -3.066 -14.350 3.774 90 HH21 ARG 11 HH21 ARG 11 0.100 -12.733 3.818 91 HH22 ARG 11 HH22 ARG 11 -0.713 -14.213 3.941 92 H ARG 12 H ARG 12 -0.114 -7.364 4.097 93 HA ARG 12 HA ARG 12 -1.404 -6.998 6.518 94 HB2 ARG 12 HB2 ARG 12 1.470 -7.048 5.718 95 HB3 ARG 12 HB3 ARG 12 1.042 -6.594 7.362 96 HG2 ARG 12 HG2 ARG 12 -0.096 -8.709 7.682 97 HG3 ARG 12 HG3 ARG 12 0.227 -9.157 6.007 98 HD2 ARG 12 HD2 ARG 12 2.514 -9.410 6.396 99 HD3 ARG 12 HD3 ARG 12 2.453 -8.479 7.893 100 HE ARG 12 HE ARG 12 1.036 -10.407 8.720 101 HH11 ARG 12 HH11 ARG 12 3.385 -11.068 6.142 102 HH12 ARG 12 HH12 ARG 12 4.017 -12.451 6.870 103 HH21 ARG 12 HH21 ARG 12 1.821 -12.423 9.668 104 HH22 ARG 12 HH22 ARG 12 3.118 -13.249 8.945 105 H ALA 13 H ALA 13 0.121 -4.624 4.476 106 HA ALA 13 HA ALA 13 0.002 -2.520 6.372 107 HB1 ALA 13 HB1 ALA 13 0.049 -2.371 3.359 108 HB2 ALA 13 HB2 ALA 13 1.464 -2.418 4.410 109 HB3 ALA 13 HB3 ALA 13 0.369 -1.038 4.467 110 H LEU 14 H LEU 14 -2.119 -3.482 3.673 111 HA LEU 14 HA LEU 14 -3.971 -1.425 4.162 112 HB2 LEU 14 HB2 LEU 14 -4.101 -3.881 2.475 113 HB3 LEU 14 HB3 LEU 14 -5.574 -3.003 2.804 114 HG LEU 14 HG LEU 14 -4.507 -0.969 1.810 115 HD11 LEU 14 HD11 LEU 14 -2.377 -2.892 0.932 116 HD12 LEU 14 HD12 LEU 14 -2.182 -1.543 2.050 117 HD13 LEU 14 HD13 LEU 14 -2.580 -1.237 0.359 118 HD21 LEU 14 HD21 LEU 14 -6.065 -2.309 0.554 119 HD22 LEU 14 HD22 LEU 14 -4.761 -3.380 0.033 120 HD23 LEU 14 HD23 LEU 14 -4.792 -1.701 -0.504 121 H VAL 15 H VAL 15 -3.744 -4.587 5.551 122 HA VAL 15 HA VAL 15 -6.348 -4.566 6.718 123 HB VAL 15 HB VAL 15 -3.822 -5.900 7.789 124 HG11 VAL 15 HG11 VAL 15 -6.724 -6.430 8.443 125 HG12 VAL 15 HG12 VAL 15 -5.543 -5.667 9.510 126 HG13 VAL 15 HG13 VAL 15 -5.346 -7.358 9.044 127 HG21 VAL 15 HG21 VAL 15 -4.698 -7.947 6.750 128 HG22 VAL 15 HG22 VAL 15 -4.401 -6.691 5.547 129 HG23 VAL 15 HG23 VAL 15 -6.048 -7.029 6.082 130 H GLU 16 H GLU 16 -3.181 -3.756 8.079 131 HA GLU 16 HA GLU 16 -4.054 -2.818 10.572 132 HB2 GLU 16 HB2 GLU 16 -1.548 -2.219 9.028 133 HB3 GLU 16 HB3 GLU 16 -1.809 -1.779 10.708 134 HG2 GLU 16 HG2 GLU 16 -1.848 -4.579 9.631 135 HG3 GLU 16 HG3 GLU 16 -0.476 -3.810 10.429 136 H SER 17 H SER 17 -3.525 -1.099 7.528 137 HA SER 17 HA SER 17 -3.676 1.441 8.787 138 HB2 SER 17 HB2 SER 17 -2.463 0.802 6.584 139 HB3 SER 17 HB3 SER 17 -4.048 0.980 5.831 140 HG SER 17 HG SER 17 -2.800 2.907 7.439 141 H ALA 18 H ALA 18 -5.959 -0.649 7.101 142 HA ALA 18 HA ALA 18 -8.078 1.261 7.148 143 HB1 ALA 18 HB1 ALA 18 -8.225 -1.752 6.929 144 HB2 ALA 18 HB2 ALA 18 -8.100 -0.635 5.571 145 HB3 ALA 18 HB3 ALA 18 -9.541 -0.630 6.589 146 H GLY 19 H GLY 19 -7.121 -1.477 9.160 147 HA2 GLY 19 HA2 GLY 19 -7.421 -1.830 11.415 148 HA3 GLY 19 HA3 GLY 19 -8.173 -0.244 11.524 149 H GLU 20 H GLU 20 -9.479 -2.278 9.158 150 HA GLU 20 HA GLU 20 -11.595 -3.238 10.891 151 HB2 GLU 20 HB2 GLU 20 -12.009 -1.536 8.420 152 HB3 GLU 20 HB3 GLU 20 -13.278 -2.468 9.200 153 HG2 GLU 20 HG2 GLU 20 -13.087 -1.139 11.199 154 HG3 GLU 20 HG3 GLU 20 -11.710 -0.271 10.526 155 H THR 21 H THR 21 -12.640 -4.993 10.036 156 HA THR 21 HA THR 21 -11.261 -6.271 7.788 157 HB THR 21 HB THR 21 -12.878 -7.554 10.024 158 HG1 THR 21 HG1 THR 21 -10.992 -6.672 10.859 159 HG21 THR 21 HG21 THR 21 -12.767 -8.880 7.942 160 HG22 THR 21 HG22 THR 21 -11.830 -9.640 9.232 161 HG23 THR 21 HG23 THR 21 -11.009 -8.745 7.954 162 H ASP 22 H ASP 22 -12.493 -5.310 6.242 163 HA ASP 22 HA ASP 22 -15.279 -4.904 6.285 164 HB2 ASP 22 HB2 ASP 22 -13.940 -3.603 4.802 165 HB3 ASP 22 HB3 ASP 22 -13.342 -5.044 3.983 166 H GLY 23 H GLY 23 -13.356 -7.585 5.097 167 HA2 GLY 23 HA2 GLY 23 -14.465 -9.756 5.176 168 HA3 GLY 23 HA3 GLY 23 -15.882 -8.969 4.477 169 H THR 24 H THR 24 -14.147 -7.255 2.835 170 HA THR 24 HA THR 24 -14.061 -8.671 0.460 171 HB THR 24 HB THR 24 -14.005 -6.163 0.694 172 HG1 THR 24 HG1 THR 24 -13.403 -6.250 -1.229 173 HG21 THR 24 HG21 THR 24 -11.881 -4.991 1.092 174 HG22 THR 24 HG22 THR 24 -11.087 -6.537 1.394 175 HG23 THR 24 HG23 THR 24 -12.343 -5.967 2.491 176 H ASP 25 H ASP 25 -12.603 -10.089 -0.377 177 HA ASP 25 HA ASP 25 -10.668 -11.101 1.429 178 HB2 ASP 25 HB2 ASP 25 -11.591 -12.071 -1.239 179 HB3 ASP 25 HB3 ASP 25 -10.091 -12.693 -0.559 180 H LEU 26 H LEU 26 -9.408 -9.582 1.761 181 HA LEU 26 HA LEU 26 -7.583 -8.552 -0.226 182 HB2 LEU 26 HB2 LEU 26 -8.593 -7.212 1.676 183 HB3 LEU 26 HB3 LEU 26 -7.667 -8.199 2.780 184 HG LEU 26 HG LEU 26 -5.591 -7.328 1.638 185 HD11 LEU 26 HD11 LEU 26 -5.817 -5.246 0.386 186 HD12 LEU 26 HD12 LEU 26 -7.574 -5.393 0.458 187 HD13 LEU 26 HD13 LEU 26 -6.624 -6.585 -0.429 188 HD21 LEU 26 HD21 LEU 26 -5.658 -5.203 2.849 189 HD22 LEU 26 HD22 LEU 26 -6.343 -6.514 3.804 190 HD23 LEU 26 HD23 LEU 26 -7.407 -5.352 3.011 191 H SER 27 H SER 27 -7.182 -10.972 -0.462 192 HA SER 27 HA SER 27 -5.463 -12.249 1.492 193 HB2 SER 27 HB2 SER 27 -6.125 -13.132 -1.313 194 HB3 SER 27 HB3 SER 27 -5.714 -14.141 0.077 195 HG SER 27 HG SER 27 -7.749 -13.277 1.040 196 H GLY 28 H GLY 28 -3.670 -13.569 -0.374 197 HA2 GLY 28 HA2 GLY 28 -1.773 -11.425 -0.748 198 HA3 GLY 28 HA3 GLY 28 -1.501 -13.145 -1.008 199 H ASP 29 H ASP 29 -4.100 -11.262 -2.370 200 HA ASP 29 HA ASP 29 -2.938 -10.920 -4.953 201 HB2 ASP 29 HB2 ASP 29 -3.478 -13.277 -5.214 202 HB3 ASP 29 HB3 ASP 29 -5.106 -13.010 -4.604 203 H PHE 30 H PHE 30 -3.550 -8.846 -4.824 204 HA PHE 30 HA PHE 30 -6.286 -8.300 -5.546 205 HB2 PHE 30 HB2 PHE 30 -6.678 -6.611 -3.771 206 HB3 PHE 30 HB3 PHE 30 -6.497 -8.225 -3.108 207 HD1 PHE 30 HD2 PHE 30 -4.451 -8.818 -1.858 208 HD2 PHE 30 HD1 PHE 30 -5.160 -4.866 -3.238 209 HE1 PHE 30 HE2 PHE 30 -2.716 -7.983 -0.338 210 HE2 PHE 30 HE1 PHE 30 -3.410 -4.026 -1.727 211 HZ PHE 30 HZ PHE 30 -2.265 -5.574 -0.198 212 H LEU 31 H LEU 31 -3.463 -8.070 -6.491 213 HA LEU 31 HA LEU 31 -2.506 -5.481 -6.302 214 HB2 LEU 31 HB2 LEU 31 -1.921 -7.590 -8.338 215 HB3 LEU 31 HB3 LEU 31 -1.047 -6.071 -8.216 216 HG LEU 31 HG LEU 31 -1.197 -8.179 -6.060 217 HD11 LEU 31 HD11 LEU 31 0.162 -8.876 -7.947 218 HD12 LEU 31 HD12 LEU 31 1.160 -8.522 -6.536 219 HD13 LEU 31 HD13 LEU 31 1.066 -7.365 -7.863 220 HD21 LEU 31 HD21 LEU 31 0.483 -6.815 -4.917 221 HD22 LEU 31 HD22 LEU 31 -1.027 -5.932 -5.133 222 HD23 LEU 31 HD23 LEU 31 0.350 -5.593 -6.181 223 H ASP 32 H ASP 32 -4.910 -6.661 -8.565 224 HA ASP 32 HA ASP 32 -4.725 -4.019 -9.846 225 HB2 ASP 32 HB2 ASP 32 -5.763 -4.839 -11.825 226 HB3 ASP 32 HB3 ASP 32 -4.503 -5.981 -11.402 227 H LEU 33 H LEU 33 -6.284 -5.205 -7.382 228 HA LEU 33 HA LEU 33 -8.975 -4.541 -8.150 229 HB2 LEU 33 HB2 LEU 33 -7.803 -5.170 -5.439 230 HB3 LEU 33 HB3 LEU 33 -9.504 -4.876 -5.738 231 HG LEU 33 HG LEU 33 -7.863 -7.195 -6.762 232 HD11 LEU 33 HD11 LEU 33 -8.477 -7.369 -4.425 233 HD12 LEU 33 HD12 LEU 33 -9.385 -8.530 -5.396 234 HD13 LEU 33 HD13 LEU 33 -10.162 -7.048 -4.834 235 HD21 LEU 33 HD21 LEU 33 -10.774 -6.550 -7.257 236 HD22 LEU 33 HD22 LEU 33 -9.949 -8.036 -7.734 237 HD23 LEU 33 HD23 LEU 33 -9.483 -6.498 -8.459 238 H ARG 34 H ARG 34 -9.957 -2.685 -7.859 239 HA ARG 34 HA ARG 34 -8.273 -0.389 -7.651 240 HB2 ARG 34 HB2 ARG 34 -11.268 -0.615 -7.782 241 HB3 ARG 34 HB3 ARG 34 -10.331 0.851 -8.031 242 HG2 ARG 34 HG2 ARG 34 -9.381 -0.008 -10.038 243 HG3 ARG 34 HG3 ARG 34 -10.062 -1.611 -9.731 244 HD2 ARG 34 HD2 ARG 34 -11.641 0.907 -10.198 245 HD3 ARG 34 HD3 ARG 34 -11.357 -0.361 -11.390 246 HE ARG 34 HE ARG 34 -12.425 -1.727 -9.349 247 HH11 ARG 34 HH11 ARG 34 -13.489 1.272 -10.867 248 HH12 ARG 34 HH12 ARG 34 -15.155 0.937 -10.743 249 HH21 ARG 34 HH21 ARG 34 -14.701 -2.207 -9.122 250 HH22 ARG 34 HH22 ARG 34 -15.868 -1.128 -9.727 251 H PHE 35 H PHE 35 -7.811 0.733 -5.929 252 HA PHE 35 HA PHE 35 -8.429 0.076 -3.343 253 HB2 PHE 35 HB2 PHE 35 -7.597 2.724 -4.492 254 HB3 PHE 35 HB3 PHE 35 -7.852 2.492 -2.773 255 HD1 PHE 35 HD2 PHE 35 -6.472 0.641 -1.637 256 HD2 PHE 35 HD1 PHE 35 -5.561 2.246 -5.465 257 HE1 PHE 35 HE2 PHE 35 -4.184 -0.230 -1.452 258 HE2 PHE 35 HE1 PHE 35 -3.269 1.369 -5.292 259 HZ PHE 35 HZ PHE 35 -2.525 0.321 -3.151 260 H GLU 36 H GLU 36 -10.119 2.421 -5.372 261 HA GLU 36 HA GLU 36 -11.884 3.460 -3.470 262 HB2 GLU 36 HB2 GLU 36 -13.330 4.135 -5.315 263 HB3 GLU 36 HB3 GLU 36 -11.650 4.391 -5.757 264 HG2 GLU 36 HG2 GLU 36 -11.666 2.430 -7.154 265 HG3 GLU 36 HG3 GLU 36 -13.286 2.009 -6.608 266 H ASP 37 H ASP 37 -11.951 0.435 -5.111 267 HA ASP 37 HA ASP 37 -14.726 -0.095 -4.526 268 HB2 ASP 37 HB2 ASP 37 -13.708 -0.720 -6.684 269 HB3 ASP 37 HB3 ASP 37 -12.632 -1.822 -5.839 270 H ILE 38 H ILE 38 -11.593 -0.785 -3.225 271 HA ILE 38 HA ILE 38 -12.746 -2.863 -1.536 272 HB ILE 38 HB ILE 38 -10.447 -3.328 -0.713 273 HG12 ILE 38 HG12 ILE 38 -9.606 -1.323 -2.830 274 HG13 ILE 38 HG13 ILE 38 -9.458 -1.107 -1.092 275 HG21 ILE 38 HG21 ILE 38 -10.815 -3.445 -3.699 276 HG22 ILE 38 HG22 ILE 38 -11.379 -4.631 -2.518 277 HG23 ILE 38 HG23 ILE 38 -9.646 -4.396 -2.776 278 HD11 ILE 38 HD11 ILE 38 -8.017 -3.173 -2.747 279 HD12 ILE 38 HD12 ILE 38 -7.863 -2.961 -1.003 280 HD13 ILE 38 HD13 ILE 38 -7.325 -1.688 -2.097 281 H GLY 39 H GLY 39 -13.065 0.115 -1.325 282 HA2 GLY 39 HA2 GLY 39 -13.856 1.282 0.551 283 HA3 GLY 39 HA3 GLY 39 -13.091 0.085 1.582 284 H TYR 40 H TYR 40 -11.011 1.307 -0.806 285 HA TYR 40 HA TYR 40 -9.778 3.019 1.197 286 HB2 TYR 40 HB2 TYR 40 -8.658 1.283 -0.931 287 HB3 TYR 40 HB3 TYR 40 -7.823 2.804 -0.633 288 HD1 TYR 40 HD1 TYR 40 -9.426 0.187 1.456 289 HD2 TYR 40 HD2 TYR 40 -5.992 2.578 0.753 290 HE1 TYR 40 HE1 TYR 40 -8.304 -0.909 3.323 291 HE2 TYR 40 HE2 TYR 40 -4.848 1.496 2.628 292 HH TYR 40 HH TYR 40 -5.325 0.184 4.608 293 H ASP 41 H ASP 41 -10.475 4.916 1.018 294 HA ASP 41 HA ASP 41 -11.441 6.076 -1.401 295 HB2 ASP 41 HB2 ASP 41 -12.183 6.553 0.994 296 HB3 ASP 41 HB3 ASP 41 -10.674 7.484 1.090 297 H SER 42 H SER 42 -8.787 7.062 0.762 298 HA SER 42 HA SER 42 -6.756 7.192 -1.120 299 HB2 SER 42 HB2 SER 42 -6.534 9.690 -1.413 300 HB3 SER 42 HB3 SER 42 -7.914 8.986 -2.267 301 H LEU 43 H LEU 43 -8.082 8.884 1.719 302 HA LEU 43 HA LEU 43 -5.556 9.574 2.765 303 HB2 LEU 43 HB2 LEU 43 -8.207 9.233 4.138 304 HB3 LEU 43 HB3 LEU 43 -6.764 9.746 4.990 305 HG LEU 43 HG LEU 43 -8.062 11.234 2.706 306 HD11 LEU 43 HD11 LEU 43 -7.976 11.800 5.663 307 HD12 LEU 43 HD12 LEU 43 -9.389 11.267 4.751 308 HD13 LEU 43 HD13 LEU 43 -8.673 12.846 4.429 309 HD21 LEU 43 HD21 LEU 43 -5.756 11.974 4.506 310 HD22 LEU 43 HD22 LEU 43 -6.496 13.012 3.285 311 HD23 LEU 43 HD23 LEU 43 -5.641 11.549 2.796 312 H ALA 44 H ALA 44 -7.587 6.754 3.384 313 HA ALA 44 HA ALA 44 -5.810 5.541 5.236 314 HB1 ALA 44 HB1 ALA 44 -8.155 4.823 5.002 315 HB2 ALA 44 HB2 ALA 44 -7.047 3.465 4.817 316 HB3 ALA 44 HB3 ALA 44 -7.799 4.187 3.396 317 H LEU 45 H LEU 45 -6.011 5.588 1.810 318 HA LEU 45 HA LEU 45 -4.174 3.509 1.195 319 HB2 LEU 45 HB2 LEU 45 -5.927 4.528 -0.247 320 HB3 LEU 45 HB3 LEU 45 -4.984 5.960 -0.450 321 HG LEU 45 HG LEU 45 -4.530 3.174 -1.532 322 HD11 LEU 45 HD11 LEU 45 -4.640 4.301 -3.680 323 HD12 LEU 45 HD12 LEU 45 -4.920 5.830 -2.847 324 HD13 LEU 45 HD13 LEU 45 -6.098 4.522 -2.713 325 HD21 LEU 45 HD21 LEU 45 -2.484 3.941 -2.640 326 HD22 LEU 45 HD22 LEU 45 -2.306 4.026 -0.887 327 HD23 LEU 45 HD23 LEU 45 -2.608 5.495 -1.814 328 H MET 46 H MET 46 -3.909 7.016 1.476 329 HA MET 46 HA MET 46 -1.135 7.291 1.089 330 HB2 MET 46 HB2 MET 46 -3.134 8.967 2.615 331 HB3 MET 46 HB3 MET 46 -1.472 9.463 2.321 332 HG2 MET 46 HG2 MET 46 -1.800 9.700 0.055 333 HG3 MET 46 HG3 MET 46 -3.242 8.693 0.047 334 HE1 MET 46 HE1 MET 46 -3.144 12.954 1.842 335 HE2 MET 46 HE2 MET 46 -1.733 12.166 1.136 336 HE3 MET 46 HE3 MET 46 -2.438 11.542 2.628 337 H GLU 47 H GLU 47 -3.111 6.681 3.901 338 HA GLU 47 HA GLU 47 -1.203 6.900 5.939 339 HB2 GLU 47 HB2 GLU 47 -3.762 6.647 5.979 340 HB3 GLU 47 HB3 GLU 47 -3.460 4.924 5.906 341 HG2 GLU 47 HG2 GLU 47 -3.797 5.530 8.190 342 HG3 GLU 47 HG3 GLU 47 -2.098 5.106 7.964 343 H THR 48 H THR 48 -2.226 4.216 3.905 344 HA THR 48 HA THR 48 -0.680 2.132 4.908 345 HB THR 48 HB THR 48 -1.608 2.774 2.107 346 HG1 THR 48 HG1 THR 48 -3.083 2.282 4.059 347 HG21 THR 48 HG21 THR 48 -1.283 0.374 1.599 348 HG22 THR 48 HG22 THR 48 -0.533 0.150 3.183 349 HG23 THR 48 HG23 THR 48 0.232 1.187 1.980 350 H ALA 49 H ALA 49 -0.023 4.280 2.142 351 HA ALA 49 HA ALA 49 2.556 3.417 1.560 352 HB1 ALA 49 HB1 ALA 49 2.821 5.529 0.361 353 HB2 ALA 49 HB2 ALA 49 1.410 6.185 1.189 354 HB3 ALA 49 HB3 ALA 49 1.226 4.835 0.069 355 H ALA 50 H ALA 50 1.479 6.034 3.672 356 HA ALA 50 HA ALA 50 3.957 7.012 4.483 357 HB1 ALA 50 HB1 ALA 50 1.385 6.917 6.048 358 HB2 ALA 50 HB2 ALA 50 1.834 8.158 4.878 359 HB3 ALA 50 HB3 ALA 50 2.758 7.975 6.369 360 H ARG 51 H ARG 51 1.972 4.419 5.834 361 HA ARG 51 HA ARG 51 3.576 3.889 8.102 362 HB2 ARG 51 HB2 ARG 51 1.244 3.052 7.792 363 HB3 ARG 51 HB3 ARG 51 1.849 1.925 6.584 364 HG2 ARG 51 HG2 ARG 51 3.325 0.946 8.311 365 HG3 ARG 51 HG3 ARG 51 2.566 2.001 9.499 366 HD2 ARG 51 HD2 ARG 51 0.383 0.977 8.905 367 HD3 ARG 51 HD3 ARG 51 1.254 -0.165 7.877 368 HE ARG 51 HE ARG 51 1.711 0.093 10.766 369 HH11 ARG 51 HH11 ARG 51 1.513 -2.009 7.889 370 HH12 ARG 51 HH12 ARG 51 1.543 -3.444 8.812 371 HH21 ARG 51 HH21 ARG 51 1.802 -1.819 11.939 372 HH22 ARG 51 HH22 ARG 51 1.699 -3.359 11.199 373 H LEU 52 H LEU 52 3.528 2.622 4.837 374 HA LEU 52 HA LEU 52 5.508 0.649 5.167 375 HB2 LEU 52 HB2 LEU 52 4.719 2.150 2.660 376 HB3 LEU 52 HB3 LEU 52 5.666 0.675 2.707 377 HG LEU 52 HG LEU 52 2.798 0.893 3.632 378 HD11 LEU 52 HD11 LEU 52 2.955 1.193 1.234 379 HD12 LEU 52 HD12 LEU 52 2.250 -0.377 1.623 380 HD13 LEU 52 HD13 LEU 52 3.933 -0.270 1.102 381 HD21 LEU 52 HD21 LEU 52 4.579 -1.499 3.224 382 HD22 LEU 52 HD22 LEU 52 2.872 -1.544 3.658 383 HD23 LEU 52 HD23 LEU 52 4.050 -0.851 4.776 384 H GLU 53 H GLU 53 5.643 4.065 4.279 385 HA GLU 53 HA GLU 53 8.359 4.357 3.707 386 HB2 GLU 53 HB2 GLU 53 6.642 6.225 5.297 387 HB3 GLU 53 HB3 GLU 53 8.181 6.641 4.583 388 HG2 GLU 53 HG2 GLU 53 7.163 6.306 2.354 389 HG3 GLU 53 HG3 GLU 53 5.607 6.029 3.156 390 H SER 54 H SER 54 6.693 4.816 6.762 391 HA SER 54 HA SER 54 8.909 5.338 8.324 392 HB2 SER 54 HB2 SER 54 6.249 4.206 9.174 393 HB3 SER 54 HB3 SER 54 7.383 5.123 10.169 394 HG SER 54 HG SER 54 5.427 6.108 8.811 395 H ARG 55 H ARG 55 7.122 2.245 7.896 396 HA ARG 55 HA ARG 55 8.709 0.883 9.799 397 HB2 ARG 55 HB2 ARG 55 6.440 0.116 9.161 398 HB3 ARG 55 HB3 ARG 55 7.079 -0.388 7.599 399 HG2 ARG 55 HG2 ARG 55 8.616 -1.938 8.740 400 HG3 ARG 55 HG3 ARG 55 7.929 -1.459 10.287 401 HD2 ARG 55 HD2 ARG 55 5.720 -2.286 9.487 402 HD3 ARG 55 HD3 ARG 55 6.518 -2.874 8.026 403 HE ARG 55 HE ARG 55 7.664 -3.777 10.510 404 HH11 ARG 55 HH11 ARG 55 5.617 -4.685 7.730 405 HH12 ARG 55 HH12 ARG 55 5.385 -6.280 8.311 406 HH21 ARG 55 HH21 ARG 55 7.312 -6.045 11.200 407 HH22 ARG 55 HH22 ARG 55 6.314 -7.011 10.196 408 H TYR 56 H TYR 56 8.991 1.041 6.247 409 HA TYR 56 HA TYR 56 11.153 -0.914 6.468 410 HB2 TYR 56 HB2 TYR 56 9.720 0.027 3.994 411 HB3 TYR 56 HB3 TYR 56 10.892 -1.284 4.076 412 HD1 TYR 56 HD2 TYR 56 10.288 -3.152 5.888 413 HD2 TYR 56 HD1 TYR 56 7.493 -0.509 4.091 414 HE1 TYR 56 HE2 TYR 56 8.459 -4.698 6.452 415 HE2 TYR 56 HE1 TYR 56 5.666 -2.036 4.668 416 HH TYR 56 HH TYR 56 5.914 -5.009 5.254 417 H GLY 57 H GLY 57 10.712 2.428 5.859 418 HA2 GLY 57 HA2 GLY 57 12.514 3.927 5.891 419 HA3 GLY 57 HA3 GLY 57 13.581 2.627 5.377 420 H VAL 58 H VAL 58 10.577 3.965 4.099 421 HA VAL 58 HA VAL 58 11.987 4.546 1.606 422 HB VAL 58 HB VAL 58 10.208 3.797 0.182 423 HG11 VAL 58 HG11 VAL 58 10.682 1.711 2.239 424 HG12 VAL 58 HG12 VAL 58 11.693 2.051 0.827 425 HG13 VAL 58 HG13 VAL 58 10.051 1.416 0.622 426 HG21 VAL 58 HG21 VAL 58 8.272 4.429 1.509 427 HG22 VAL 58 HG22 VAL 58 8.594 3.112 2.636 428 HG23 VAL 58 HG23 VAL 58 8.134 2.755 0.970 429 H SER 59 H SER 59 10.358 5.975 0.182 430 HA SER 59 HA SER 59 8.846 7.699 1.923 431 HB2 SER 59 HB2 SER 59 11.169 8.674 1.690 432 HB3 SER 59 HB3 SER 59 10.902 8.757 -0.052 433 HG SER 59 HG SER 59 9.143 9.919 1.804 434 H ILE 60 H ILE 60 7.010 8.219 0.988 435 HA ILE 60 HA ILE 60 6.657 7.836 -1.909 436 HB ILE 60 HB ILE 60 4.724 6.862 0.230 437 HG12 ILE 60 HG12 ILE 60 6.641 5.342 0.030 438 HG13 ILE 60 HG13 ILE 60 5.168 4.588 -0.567 439 HG21 ILE 60 HG21 ILE 60 4.514 6.681 -2.773 440 HG22 ILE 60 HG22 ILE 60 3.541 7.696 -1.708 441 HG23 ILE 60 HG23 ILE 60 3.398 5.941 -1.623 442 HD11 ILE 60 HD11 ILE 60 5.896 5.040 -2.873 443 HD12 ILE 60 HD12 ILE 60 7.072 4.066 -1.992 444 HD13 ILE 60 HD13 ILE 60 7.368 5.786 -2.251 445 HA PRO 61 HA PRO 61 4.970 11.915 -1.119 446 HB2 PRO 61 HB2 PRO 61 4.107 11.676 -3.939 447 HB3 PRO 61 HB3 PRO 61 5.126 12.907 -3.180 448 HG2 PRO 61 HG2 PRO 61 6.163 11.075 -4.825 449 HG3 PRO 61 HG3 PRO 61 7.045 11.637 -3.394 450 HD2 PRO 61 HD2 PRO 61 5.503 9.110 -3.796 451 HD3 PRO 61 HD3 PRO 61 7.067 9.361 -2.990 452 H ASP 62 H ASP 62 3.122 12.187 -0.199 453 HA ASP 62 HA ASP 62 0.937 10.437 -0.247 454 HB2 ASP 62 HB2 ASP 62 -0.278 12.047 1.105 455 HB3 ASP 62 HB3 ASP 62 1.393 11.995 1.632 456 H ASP 63 H ASP 63 1.732 12.980 -2.380 457 HA ASP 63 HA ASP 63 -0.842 13.512 -3.462 458 HB2 ASP 63 HB2 ASP 63 1.123 14.982 -3.798 459 HB3 ASP 63 HB3 ASP 63 1.863 13.734 -4.796 460 H VAL 64 H VAL 64 1.724 11.267 -4.219 461 HA VAL 64 HA VAL 64 0.557 10.199 -6.638 462 HB VAL 64 HB VAL 64 2.731 9.106 -4.850 463 HG11 VAL 64 HG11 VAL 64 1.803 7.404 -6.331 464 HG12 VAL 64 HG12 VAL 64 3.440 7.822 -6.843 465 HG13 VAL 64 HG13 VAL 64 2.048 8.454 -7.727 466 HG21 VAL 64 HG21 VAL 64 3.330 11.311 -5.665 467 HG22 VAL 64 HG22 VAL 64 2.958 10.828 -7.321 468 HG23 VAL 64 HG23 VAL 64 4.314 10.088 -6.470 469 H ALA 65 H ALA 65 0.770 9.261 -3.279 470 HA ALA 65 HA ALA 65 -0.380 6.740 -3.457 471 HB1 ALA 65 HB1 ALA 65 -0.933 7.012 -1.075 472 HB2 ALA 65 HB2 ALA 65 -0.561 8.736 -1.203 473 HB3 ALA 65 HB3 ALA 65 0.709 7.538 -1.440 474 H GLY 66 H GLY 66 -1.936 9.922 -3.183 475 HA2 GLY 66 HA2 GLY 66 -4.579 8.730 -3.196 476 HA3 GLY 66 HA3 GLY 66 -4.202 10.446 -3.188 477 H ARG 67 H ARG 67 -2.655 8.503 -5.553 478 HA ARG 67 HA ARG 67 -4.594 9.302 -7.609 479 HB2 ARG 67 HB2 ARG 67 -1.617 9.751 -7.657 480 HB3 ARG 67 HB3 ARG 67 -2.585 9.738 -9.126 481 HG2 ARG 67 HG2 ARG 67 -3.816 11.643 -8.441 482 HG3 ARG 67 HG3 ARG 67 -3.171 11.549 -6.803 483 HD2 ARG 67 HD2 ARG 67 -2.127 13.338 -8.117 484 HD3 ARG 67 HD3 ARG 67 -0.966 12.126 -7.599 485 HE ARG 67 HE ARG 67 -2.002 11.636 -10.212 486 HH11 ARG 67 HH11 ARG 67 0.440 13.518 -8.375 487 HH12 ARG 67 HH12 ARG 67 1.462 13.724 -9.707 488 HH21 ARG 67 HH21 ARG 67 -0.541 11.971 -12.064 489 HH22 ARG 67 HH22 ARG 67 0.871 12.881 -11.844 490 H VAL 68 H VAL 68 -2.416 6.906 -6.421 491 HA VAL 68 HA VAL 68 -2.474 5.326 -8.812 492 HB VAL 68 HB VAL 68 -1.448 3.511 -7.306 493 HG11 VAL 68 HG11 VAL 68 -0.068 6.193 -7.473 494 HG12 VAL 68 HG12 VAL 68 -0.100 4.964 -8.737 495 HG13 VAL 68 HG13 VAL 68 0.730 4.641 -7.212 496 HG21 VAL 68 HG21 VAL 68 -2.310 4.366 -5.153 497 HG22 VAL 68 HG22 VAL 68 -1.320 5.819 -5.365 498 HG23 VAL 68 HG23 VAL 68 -0.545 4.251 -5.155 499 H ASP 69 H ASP 69 -3.821 3.794 -9.403 500 HA ASP 69 HA ASP 69 -6.360 3.568 -7.941 501 HB2 ASP 69 HB2 ASP 69 -5.785 2.217 -10.565 502 HB3 ASP 69 HB3 ASP 69 -7.314 2.798 -9.933 503 H THR 70 H THR 70 -3.758 1.574 -9.267 504 HA THR 70 HA THR 70 -5.002 -0.725 -7.996 505 HB THR 70 HB THR 70 -3.521 -2.112 -9.481 506 HG1 THR 70 HG1 THR 70 -3.013 0.437 -10.683 507 HG21 THR 70 HG21 THR 70 -5.429 -0.204 -10.840 508 HG22 THR 70 HG22 THR 70 -5.858 -1.722 -10.051 509 HG23 THR 70 HG23 THR 70 -4.875 -1.737 -11.516 510 HA PRO 71 HA PRO 71 -2.075 -0.849 -4.734 511 HB2 PRO 71 HB2 PRO 71 -2.473 -3.788 -5.053 512 HB3 PRO 71 HB3 PRO 71 -2.571 -2.792 -3.595 513 HG2 PRO 71 HG2 PRO 71 -4.783 -3.622 -4.746 514 HG3 PRO 71 HG3 PRO 71 -4.665 -1.944 -4.168 515 HD2 PRO 71 HD2 PRO 71 -4.433 -3.003 -6.954 516 HD3 PRO 71 HD3 PRO 71 -5.273 -1.551 -6.372 517 H ARG 72 H ARG 72 -1.689 -3.019 -7.499 518 HA ARG 72 HA ARG 72 0.932 -3.857 -7.096 519 HB2 ARG 72 HB2 ARG 72 -0.545 -4.690 -8.910 520 HB3 ARG 72 HB3 ARG 72 -0.325 -3.166 -9.757 521 HG2 ARG 72 HG2 ARG 72 2.102 -3.634 -9.893 522 HG3 ARG 72 HG3 ARG 72 1.807 -5.202 -9.141 523 HD2 ARG 72 HD2 ARG 72 0.623 -4.242 -11.740 524 HD3 ARG 72 HD3 ARG 72 1.976 -5.353 -11.581 525 HE ARG 72 HE ARG 72 0.450 -6.885 -10.468 526 HH11 ARG 72 HH11 ARG 72 -1.028 -4.293 -12.426 527 HH12 ARG 72 HH12 ARG 72 -2.340 -5.244 -12.957 528 HH21 ARG 72 HH21 ARG 72 -1.496 -8.153 -11.120 529 HH22 ARG 72 HH22 ARG 72 -2.623 -7.475 -12.179 530 H GLU 73 H GLU 73 -0.245 -0.836 -8.509 531 HA GLU 73 HA GLU 73 2.274 0.146 -9.316 532 HB2 GLU 73 HB2 GLU 73 -0.257 1.649 -8.644 533 HB3 GLU 73 HB3 GLU 73 1.119 2.365 -9.457 534 HG2 GLU 73 HG2 GLU 73 -0.709 0.211 -10.468 535 HG3 GLU 73 HG3 GLU 73 -0.514 1.848 -11.093 536 H LEU 74 H LEU 74 0.384 0.527 -6.396 537 HA LEU 74 HA LEU 74 2.118 2.386 -5.131 538 HB2 LEU 74 HB2 LEU 74 -0.331 2.027 -4.612 539 HB3 LEU 74 HB3 LEU 74 0.088 0.499 -3.884 540 HG LEU 74 HG LEU 74 -0.442 2.355 -2.275 541 HD11 LEU 74 HD11 LEU 74 1.372 1.943 -0.712 542 HD12 LEU 74 HD12 LEU 74 2.328 1.217 -2.005 543 HD13 LEU 74 HD13 LEU 74 0.818 0.460 -1.485 544 HD21 LEU 74 HD21 LEU 74 0.555 4.207 -3.464 545 HD22 LEU 74 HD22 LEU 74 2.163 3.510 -3.255 546 HD23 LEU 74 HD23 LEU 74 1.253 4.070 -1.851 547 H LEU 75 H LEU 75 1.749 -1.122 -4.988 548 HA LEU 75 HA LEU 75 3.672 -1.725 -3.070 549 HB2 LEU 75 HB2 LEU 75 2.062 -3.348 -3.977 550 HB3 LEU 75 HB3 LEU 75 2.913 -3.334 -5.510 551 HG LEU 75 HG LEU 75 4.911 -4.262 -4.371 552 HD11 LEU 75 HD11 LEU 75 4.485 -3.440 -2.131 553 HD12 LEU 75 HD12 LEU 75 4.677 -5.193 -2.124 554 HD13 LEU 75 HD13 LEU 75 3.070 -4.481 -2.001 555 HD21 LEU 75 HD21 LEU 75 2.379 -5.871 -4.051 556 HD22 LEU 75 HD22 LEU 75 4.017 -6.524 -4.096 557 HD23 LEU 75 HD23 LEU 75 3.341 -5.737 -5.521 558 H ASP 76 H ASP 76 4.005 -1.359 -6.585 559 HA ASP 76 HA ASP 76 6.761 -1.994 -6.652 560 HB2 ASP 76 HB2 ASP 76 5.366 -2.083 -8.691 561 HB3 ASP 76 HB3 ASP 76 5.220 -0.327 -8.656 562 H LEU 77 H LEU 77 5.067 0.986 -6.040 563 HA LEU 77 HA LEU 77 7.223 2.785 -6.283 564 HB2 LEU 77 HB2 LEU 77 4.884 2.859 -4.363 565 HB3 LEU 77 HB3 LEU 77 5.985 4.190 -4.621 566 HG LEU 77 HG LEU 77 4.139 3.033 -6.709 567 HD11 LEU 77 HD11 LEU 77 3.948 5.576 -5.096 568 HD12 LEU 77 HD12 LEU 77 2.923 4.155 -4.914 569 HD13 LEU 77 HD13 LEU 77 2.862 5.098 -6.400 570 HD21 LEU 77 HD21 LEU 77 6.166 4.023 -7.662 571 HD22 LEU 77 HD22 LEU 77 5.880 5.501 -6.738 572 HD23 LEU 77 HD23 LEU 77 4.751 5.019 -8.005 573 H ILE 78 H ILE 78 6.140 0.768 -3.648 574 HA ILE 78 HA ILE 78 8.078 1.623 -1.731 575 HB ILE 78 HB ILE 78 6.682 -1.065 -1.785 576 HG12 ILE 78 HG12 ILE 78 4.988 0.716 -2.034 577 HG13 ILE 78 HG13 ILE 78 4.875 -0.068 -0.466 578 HG21 ILE 78 HG21 ILE 78 7.757 0.632 0.468 579 HG22 ILE 78 HG22 ILE 78 8.487 -0.841 -0.165 580 HG23 ILE 78 HG23 ILE 78 6.928 -0.914 0.659 581 HD11 ILE 78 HD11 ILE 78 4.567 2.328 -0.283 582 HD12 ILE 78 HD12 ILE 78 6.140 2.603 -1.029 583 HD13 ILE 78 HD13 ILE 78 6.035 1.827 0.553 584 H ASN 79 H ASN 79 7.732 -1.219 -3.826 585 HA ASN 79 HA ASN 79 10.083 -2.619 -3.213 586 HB2 ASN 79 HB2 ASN 79 8.502 -2.458 -5.781 587 HB3 ASN 79 HB3 ASN 79 9.981 -3.389 -5.698 588 HD21 ASN 79 HD21 ASN 79 7.672 -3.197 -3.037 589 HD22 ASN 79 HD22 ASN 79 7.147 -4.847 -3.193 590 H GLY 80 H GLY 80 9.544 -0.222 -5.744 591 HA2 GLY 80 HA2 GLY 80 12.131 -0.172 -6.764 592 HA3 GLY 80 HA3 GLY 80 10.927 1.096 -6.925 593 H ALA 81 H ALA 81 10.686 1.591 -4.090 594 HA ALA 81 HA ALA 81 12.850 3.419 -3.834 595 HB1 ALA 81 HB1 ALA 81 11.842 4.040 -1.698 596 HB2 ALA 81 HB2 ALA 81 10.795 2.623 -1.768 597 HB3 ALA 81 HB3 ALA 81 10.607 3.915 -2.953 598 H LEU 82 H LEU 82 11.982 0.422 -2.194 599 HA LEU 82 HA LEU 82 14.150 0.355 -0.388 600 HB2 LEU 82 HB2 LEU 82 12.343 -1.784 -1.478 601 HB3 LEU 82 HB3 LEU 82 13.609 -2.145 -0.323 602 HG LEU 82 HG LEU 82 11.434 -0.131 0.248 603 HD11 LEU 82 HD11 LEU 82 11.519 -3.052 1.002 604 HD12 LEU 82 HD12 LEU 82 10.427 -2.338 -0.175 605 HD13 LEU 82 HD13 LEU 82 10.312 -1.875 1.527 606 HD21 LEU 82 HD21 LEU 82 13.461 0.047 1.588 607 HD22 LEU 82 HD22 LEU 82 13.344 -1.661 2.006 608 HD23 LEU 82 HD23 LEU 82 12.108 -0.531 2.561 609 H ALA 83 H ALA 83 13.710 -1.276 -3.517 610 HA ALA 83 HA ALA 83 16.331 -2.357 -3.658 611 HB1 ALA 83 HB1 ALA 83 15.880 -2.653 -6.018 612 HB2 ALA 83 HB2 ALA 83 14.507 -1.563 -5.901 613 HB3 ALA 83 HB3 ALA 83 14.461 -3.131 -5.071 614 H GLU 84 H GLU 84 14.926 0.686 -4.366 615 HA GLU 84 HA GLU 84 15.547 2.636 -5.142 616 HB2 GLU 84 HB2 GLU 84 17.306 2.362 -3.318 617 HB3 GLU 84 HB3 GLU 84 18.415 1.816 -4.570 618 HG2 GLU 84 HG2 GLU 84 18.261 3.882 -5.688 619 HG3 GLU 84 HG3 GLU 84 17.026 4.473 -4.580 620 H ALA 85 H ALA 85 14.887 0.952 -6.869 621 HA ALA 85 HA ALA 85 16.745 0.121 -8.841 622 HB1 ALA 85 HB1 ALA 85 13.751 0.370 -9.062 623 HB2 ALA 85 HB2 ALA 85 14.622 -1.029 -8.436 624 HB3 ALA 85 HB3 ALA 85 14.806 -0.561 -10.125 625 H ALA 86 H ALA 86 14.133 2.567 -9.104 626 HA ALA 86 HA ALA 86 15.879 4.052 -10.887 627 HB1 ALA 86 HB1 ALA 86 14.017 4.436 -12.448 628 HB2 ALA 86 HB2 ALA 86 12.995 3.358 -11.500 629 HB3 ALA 86 HB3 ALA 86 14.408 2.721 -12.339 630 H28 SXA 87 H28A SXA 87 -8.862 13.970 0.639 631 H28A SXA 87 H28B SXA 87 -9.447 14.054 -1.024 632 H30 SXA 87 H30A SXA 87 -11.902 12.369 -0.596 633 H30A SXA 87 H30B SXA 87 -11.818 13.868 -1.519 634 H30B SXA 87 H30C SXA 87 -13.004 13.696 -0.226 635 H31 SXA 87 H31A SXA 87 -10.481 13.748 2.523 636 H31A SXA 87 H31B SXA 87 -11.160 12.304 1.772 637 H31B SXA 87 H31C SXA 87 -12.211 13.655 2.193 638 H32 SXA 87 H32A SXA 87 -10.867 16.029 -0.390 639 HO33 SXA 87 H33A SXA 87 -10.703 16.369 2.237 640 HN36 SXA 87 H36A SXA 87 -13.305 15.689 -0.666 641 H37 SXA 87 H37A SXA 87 -15.337 15.609 1.080 642 H37A SXA 87 H37B SXA 87 -14.783 17.273 1.276 643 H38 SXA 87 H38A SXA 87 -15.692 16.009 -1.330 644 H38A SXA 87 H38B SXA 87 -16.679 17.024 -0.302 645 HN41 SXA 87 H41A SXA 87 -13.603 18.186 -0.160 646 H42 SXA 87 H42A SXA 87 -13.473 19.829 -2.531 647 H42A SXA 87 H42B SXA 87 -13.831 20.670 -1.026 648 H43 SXA 87 H43A SXA 87 -11.449 20.750 -1.339 649 H43A SXA 87 H43B SXA 87 -11.407 19.004 -1.588 650 H2 SXA 87 H2C SXA 87 -9.933 20.044 2.878 651 H2A SXA 87 H2A SXA 87 -8.417 19.471 2.174 652 H2B SXA 87 H2B SXA 87 -9.755 18.344 2.420
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