NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
17587 | 2cqr | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 20.085 21.499 7.494 2 1HA GLY 1 1HA GLY 1 21.811 22.487 9.366 3 2HA GLY 1 2HA GLY 1 22.094 20.985 8.498 4 H SER 2 H SER 2 24.273 21.115 8.245 5 HA SER 2 HA SER 2 25.535 23.534 7.313 6 1HB SER 2 1HB SER 2 26.668 21.997 8.898 7 2HB SER 2 2HB SER 2 26.704 20.759 7.643 8 HG SER 2 HG SER 2 28.245 21.818 6.615 9 H SER 3 H SER 3 26.603 23.818 5.334 10 HA SER 3 HA SER 3 25.257 22.923 3.063 11 1HB SER 3 1HB SER 3 27.962 24.195 3.447 12 2HB SER 3 2HB SER 3 27.361 23.769 1.845 13 HG SER 3 HG SER 3 26.835 25.917 2.378 14 H GLY 4 H GLY 4 25.083 20.746 2.795 15 1HA GLY 4 1HA GLY 4 27.575 19.338 2.127 16 2HA GLY 4 2HA GLY 4 26.475 18.610 3.288 17 H SER 5 H SER 5 27.288 17.437 0.831 18 HA SER 5 HA SER 5 24.845 17.585 -0.796 19 1HB SER 5 1HB SER 5 27.675 16.801 -1.392 20 2HB SER 5 2HB SER 5 26.371 16.147 -2.383 21 HG SER 5 HG SER 5 26.985 18.025 -3.349 22 H SER 6 H SER 6 27.188 15.110 0.265 23 HA SER 6 HA SER 6 25.232 13.016 -0.026 24 1HB SER 6 1HB SER 6 27.000 11.514 0.656 25 2HB SER 6 2HB SER 6 27.670 12.683 -0.481 26 HG SER 6 HG SER 6 28.180 12.332 2.218 27 H GLY 7 H GLY 7 24.160 11.914 1.565 28 1HA GLY 7 1HA GLY 7 24.652 11.860 4.274 29 2HA GLY 7 2HA GLY 7 23.690 13.308 4.014 30 H SER 8 H SER 8 21.758 12.785 4.856 31 HA SER 8 HA SER 8 20.591 10.174 4.350 32 1HB SER 8 1HB SER 8 19.512 12.533 5.912 33 2HB SER 8 2HB SER 8 18.799 10.921 5.864 34 HG SER 8 HG SER 8 20.081 10.502 7.466 35 H LEU 9 H LEU 9 18.081 10.311 3.924 36 HA LEU 9 HA LEU 9 17.771 11.911 1.479 37 1HB LEU 9 1HB LEU 9 16.464 9.365 2.404 38 2HB LEU 9 2HB LEU 9 15.897 10.281 1.010 39 HG LEU 9 HG LEU 9 18.315 9.983 0.131 40 1HD1 LEU 9 1HD1 LEU 9 18.909 7.515 1.074 41 2HD1 LEU 9 2HD1 LEU 9 18.296 8.293 2.532 42 3HD1 LEU 9 3HD1 LEU 9 19.646 9.009 1.653 43 1HD2 LEU 9 1HD2 LEU 9 16.695 7.463 0.255 44 2HD2 LEU 9 2HD2 LEU 9 17.641 8.112 -1.085 45 3HD2 LEU 9 3HD2 LEU 9 16.120 8.879 -0.625 46 H ARG 10 H ARG 10 15.966 13.176 1.136 47 HA ARG 10 HA ARG 10 14.376 13.749 3.542 48 1HB ARG 10 1HB ARG 10 15.720 15.620 2.637 49 2HB ARG 10 2HB ARG 10 14.852 15.486 1.114 50 1HG ARG 10 1HG ARG 10 12.838 16.232 2.074 51 2HG ARG 10 2HG ARG 10 13.451 16.012 3.714 52 1HD ARG 10 1HD ARG 10 14.544 17.995 1.723 53 2HD ARG 10 2HD ARG 10 13.377 18.384 2.986 54 HE ARG 10 HE ARG 10 16.208 17.898 3.315 55 1HH1 ARG 10 1HH1 ARG 10 13.093 18.114 4.855 56 2HH1 ARG 10 2HH1 ARG 10 13.748 18.423 6.429 57 1HH2 ARG 10 1HH2 ARG 10 17.082 18.304 5.382 58 2HH2 ARG 10 2HH2 ARG 10 16.017 18.532 6.727 59 H LYS 11 H LYS 11 12.153 13.837 3.459 60 HA LYS 11 HA LYS 11 10.847 12.139 1.640 61 1HB LYS 11 1HB LYS 11 8.828 12.728 2.750 62 2HB LYS 11 2HB LYS 11 10.090 12.731 3.975 63 1HG LYS 11 1HG LYS 11 9.050 14.672 4.516 64 2HG LYS 11 2HG LYS 11 10.200 15.295 3.331 65 1HD LYS 11 1HD LYS 11 8.214 16.253 2.631 66 2HD LYS 11 2HD LYS 11 8.302 14.807 1.622 67 1HE LYS 11 1HE LYS 11 6.109 14.789 2.397 68 2HE LYS 11 2HE LYS 11 6.935 13.683 3.493 69 1HZ LYS 11 1HZ LYS 11 7.171 15.591 5.047 70 2HZ LYS 11 2HZ LYS 11 5.571 15.111 4.785 71 3HZ LYS 11 3HZ LYS 11 6.172 16.499 4.027 72 H GLU 12 H GLU 12 9.303 12.596 0.016 73 HA GLU 12 HA GLU 12 8.688 15.192 -0.896 74 1HB GLU 12 1HB GLU 12 10.975 15.351 -1.598 75 2HB GLU 12 2HB GLU 12 10.916 13.759 -2.341 76 1HG GLU 12 1HG GLU 12 9.154 14.705 -3.895 77 2HG GLU 12 2HG GLU 12 9.608 16.292 -3.274 78 H ARG 13 H ARG 13 6.715 14.840 -1.647 79 HA ARG 13 HA ARG 13 5.510 12.490 -2.279 80 1HB ARG 13 1HB ARG 13 4.365 14.687 -2.087 81 2HB ARG 13 2HB ARG 13 4.970 15.112 -3.683 82 1HG ARG 13 1HG ARG 13 3.411 12.600 -3.394 83 2HG ARG 13 2HG ARG 13 2.551 14.140 -3.337 84 1HD ARG 13 1HD ARG 13 3.864 14.696 -5.485 85 2HD ARG 13 2HD ARG 13 4.169 12.961 -5.568 86 HE ARG 13 HE ARG 13 1.462 13.185 -5.232 87 1HH1 ARG 13 1HH1 ARG 13 3.786 14.379 -7.533 88 2HH1 ARG 13 2HH1 ARG 13 2.662 14.406 -8.851 89 1HH2 ARG 13 1HH2 ARG 13 -0.027 13.217 -6.959 90 2HH2 ARG 13 2HH2 ARG 13 0.493 13.746 -8.523 91 H ALA 14 H ALA 14 7.270 14.591 -4.531 92 HA ALA 14 HA ALA 14 6.804 13.361 -6.925 93 1HB ALA 14 1HB ALA 14 8.798 14.315 -7.727 94 2HB ALA 14 2HB ALA 14 8.251 15.394 -6.442 95 3HB ALA 14 3HB ALA 14 9.563 14.254 -6.138 96 H ARG 15 H ARG 15 9.365 12.475 -4.609 97 HA ARG 15 HA ARG 15 10.504 10.371 -5.966 98 1HB ARG 15 1HB ARG 15 10.177 11.041 -3.084 99 2HB ARG 15 2HB ARG 15 10.731 9.421 -3.487 100 1HG ARG 15 1HG ARG 15 12.411 10.779 -5.019 101 2HG ARG 15 2HG ARG 15 12.090 12.033 -3.819 102 1HD ARG 15 1HD ARG 15 13.000 9.226 -3.194 103 2HD ARG 15 2HD ARG 15 14.054 10.638 -3.264 104 HE ARG 15 HE ARG 15 12.241 11.417 -1.467 105 1HH1 ARG 15 1HH1 ARG 15 14.020 8.443 -1.789 106 2HH1 ARG 15 2HH1 ARG 15 14.044 8.120 -0.087 107 1HH2 ARG 15 1HH2 ARG 15 12.265 11.005 0.776 108 2HH2 ARG 15 2HH2 ARG 15 13.044 9.578 1.371 109 H SER 16 H SER 16 7.655 10.308 -3.856 110 HA SER 16 HA SER 16 5.971 8.799 -3.606 111 1HB SER 16 1HB SER 16 6.886 8.021 -6.382 112 2HB SER 16 2HB SER 16 5.446 7.359 -5.609 113 HG SER 16 HG SER 16 4.790 9.094 -6.815 114 H ALA 17 H ALA 17 8.401 8.152 -2.404 115 HA ALA 17 HA ALA 17 9.231 5.493 -2.930 116 1HB ALA 17 1HB ALA 17 10.745 6.921 -1.792 117 2HB ALA 17 2HB ALA 17 9.568 7.274 -0.527 118 3HB ALA 17 3HB ALA 17 10.277 5.664 -0.647 119 H GLU 18 H GLU 18 7.195 6.853 -0.334 120 HA GLU 18 HA GLU 18 6.130 4.146 0.123 121 1HB GLU 18 1HB GLU 18 6.709 6.435 1.932 122 2HB GLU 18 2HB GLU 18 5.311 5.439 2.314 123 1HG GLU 18 1HG GLU 18 6.943 3.457 2.071 124 2HG GLU 18 2HG GLU 18 8.200 4.681 2.239 125 H GLU 19 H GLU 19 4.631 4.388 -1.625 126 HA GLU 19 HA GLU 19 2.734 6.485 -1.748 127 1HB GLU 19 1HB GLU 19 2.937 3.760 -2.980 128 2HB GLU 19 2HB GLU 19 1.452 4.686 -3.143 129 1HG GLU 19 1HG GLU 19 2.573 6.439 -4.291 130 2HG GLU 19 2HG GLU 19 4.152 5.740 -3.934 131 HA PRO 20 HA PRO 20 -0.255 5.376 1.269 132 1HB PRO 20 1HB PRO 20 -2.546 6.192 0.063 133 2HB PRO 20 2HB PRO 20 -1.352 7.319 0.720 134 1HG PRO 20 1HG PRO 20 -1.768 6.438 -2.111 135 2HG PRO 20 2HG PRO 20 -1.444 8.063 -1.481 136 1HD PRO 20 1HD PRO 20 0.482 6.522 -2.597 137 2HD PRO 20 2HD PRO 20 0.819 7.674 -1.288 138 H TRP 21 H TRP 21 -2.491 4.269 1.446 139 HA TRP 21 HA TRP 21 -2.489 1.913 -0.325 140 1HB TRP 21 1HB TRP 21 -3.217 2.155 2.598 141 2HB TRP 21 2HB TRP 21 -3.562 0.727 1.627 142 HD1 TRP 21 HD1 TRP 21 -0.346 2.854 2.174 143 HE1 TRP 21 HE1 TRP 21 1.599 1.229 2.623 144 HE3 TRP 21 HE3 TRP 21 -2.901 -1.565 1.896 145 HZ2 TRP 21 HZ2 TRP 21 1.997 -1.558 2.831 146 HZ3 TRP 21 HZ3 TRP 21 -1.665 -3.665 2.231 147 HH2 TRP 21 HH2 TRP 21 0.734 -3.660 2.688 148 H THR 22 H THR 22 -4.175 1.791 -1.637 149 HA THR 22 HA THR 22 -6.478 3.469 -1.287 150 HB THR 22 HB THR 22 -7.061 2.942 -3.435 151 HG1 THR 22 HG1 THR 22 -5.828 0.383 -3.222 152 1HG2 THR 22 1HG2 THR 22 -5.176 3.152 -4.692 153 2HG2 THR 22 2HG2 THR 22 -4.356 1.817 -3.882 154 3HG2 THR 22 3HG2 THR 22 -4.442 3.399 -3.108 155 H GLN 23 H GLN 23 -8.662 2.753 -1.124 156 HA GLN 23 HA GLN 23 -9.335 1.133 0.911 157 1HB GLN 23 1HB GLN 23 -11.502 0.649 -0.476 158 2HB GLN 23 2HB GLN 23 -11.137 2.288 0.048 159 1HG GLN 23 1HG GLN 23 -10.513 2.967 -2.082 160 2HG GLN 23 2HG GLN 23 -10.264 1.313 -2.640 161 1HE2 GLN 23 1HE2 GLN 23 -11.797 0.487 -3.861 162 2HE2 GLN 23 2HE2 GLN 23 -13.437 1.023 -3.940 163 H ASN 24 H ASN 24 -8.502 0.089 -2.325 164 HA ASN 24 HA ASN 24 -9.335 -2.617 -2.003 165 1HB ASN 24 1HB ASN 24 -7.783 -1.070 -4.010 166 2HB ASN 24 2HB ASN 24 -7.518 -2.811 -3.972 167 1HD2 ASN 24 1HD2 ASN 24 -9.585 -4.120 -3.906 168 2HD2 ASN 24 2HD2 ASN 24 -10.853 -3.603 -4.959 169 H GLN 25 H GLN 25 -6.031 -1.306 -2.329 170 HA GLN 25 HA GLN 25 -4.607 -3.507 -1.564 171 1HB GLN 25 1HB GLN 25 -4.100 -0.574 -1.203 172 2HB GLN 25 2HB GLN 25 -2.963 -1.750 -0.555 173 1HG GLN 25 1HG GLN 25 -2.215 -1.021 -2.712 174 2HG GLN 25 2HG GLN 25 -2.713 -2.709 -2.808 175 1HE2 GLN 25 1HE2 GLN 25 -2.834 0.164 -4.354 176 2HE2 GLN 25 2HE2 GLN 25 -4.256 -0.068 -5.308 177 H GLN 26 H GLN 26 -5.748 -0.938 0.628 178 HA GLN 26 HA GLN 26 -4.850 -2.006 3.016 179 1HB GLN 26 1HB GLN 26 -5.908 0.254 2.658 180 2HB GLN 26 2HB GLN 26 -7.472 -0.550 2.670 181 1HG GLN 26 1HG GLN 26 -6.908 0.463 4.831 182 2HG GLN 26 2HG GLN 26 -7.132 -1.282 4.936 183 1HE2 GLN 26 1HE2 GLN 26 -5.215 -2.612 5.010 184 2HE2 GLN 26 2HE2 GLN 26 -3.772 -1.987 5.723 185 H LYS 27 H LYS 27 -7.595 -2.918 1.070 186 HA LYS 27 HA LYS 27 -8.776 -4.573 3.118 187 1HB LYS 27 1HB LYS 27 -10.450 -3.858 1.733 188 2HB LYS 27 2HB LYS 27 -9.415 -3.841 0.312 189 1HG LYS 27 1HG LYS 27 -9.513 -6.327 0.290 190 2HG LYS 27 2HG LYS 27 -10.691 -6.242 1.602 191 1HD LYS 27 1HD LYS 27 -11.206 -4.615 -0.830 192 2HD LYS 27 2HD LYS 27 -11.422 -6.363 -0.950 193 1HE LYS 27 1HE LYS 27 -12.659 -4.751 1.263 194 2HE LYS 27 2HE LYS 27 -13.456 -4.961 -0.296 195 1HZ LYS 27 1HZ LYS 27 -12.494 -7.395 0.950 196 2HZ LYS 27 2HZ LYS 27 -13.953 -7.091 0.149 197 3HZ LYS 27 3HZ LYS 27 -13.761 -6.624 1.764 198 H LEU 28 H LEU 28 -7.431 -5.290 -0.111 199 HA LEU 28 HA LEU 28 -7.343 -8.002 -0.030 200 1HB LEU 28 1HB LEU 28 -5.270 -6.105 -1.111 201 2HB LEU 28 2HB LEU 28 -5.258 -7.840 -1.421 202 HG LEU 28 HG LEU 28 -7.465 -5.953 -2.243 203 1HD1 LEU 28 1HD1 LEU 28 -5.826 -7.272 -4.286 204 2HD1 LEU 28 2HD1 LEU 28 -4.988 -6.041 -3.342 205 3HD1 LEU 28 3HD1 LEU 28 -6.460 -5.627 -4.221 206 1HD2 LEU 28 1HD2 LEU 28 -8.665 -7.761 -2.698 207 2HD2 LEU 28 2HD2 LEU 28 -7.411 -8.759 -1.960 208 3HD2 LEU 28 3HD2 LEU 28 -7.359 -8.412 -3.689 209 H LEU 29 H LEU 29 -5.136 -5.782 1.580 210 HA LEU 29 HA LEU 29 -3.286 -7.756 2.444 211 1HB LEU 29 1HB LEU 29 -2.633 -5.445 2.328 212 2HB LEU 29 2HB LEU 29 -3.892 -4.990 3.474 213 HG LEU 29 HG LEU 29 -2.647 -6.454 5.158 214 1HD1 LEU 29 1HD1 LEU 29 -0.840 -6.572 2.833 215 2HD1 LEU 29 2HD1 LEU 29 -1.064 -7.711 4.160 216 3HD1 LEU 29 3HD1 LEU 29 -0.077 -6.268 4.393 217 1HD2 LEU 29 1HD2 LEU 29 -2.539 -3.804 4.605 218 2HD2 LEU 29 2HD2 LEU 29 -0.835 -4.242 4.479 219 3HD2 LEU 29 3HD2 LEU 29 -1.723 -4.571 5.968 220 H GLU 30 H GLU 30 -5.652 -5.882 4.353 221 HA GLU 30 HA GLU 30 -5.519 -7.159 6.736 222 1HB GLU 30 1HB GLU 30 -7.932 -6.115 5.268 223 2HB GLU 30 2HB GLU 30 -8.040 -6.742 6.907 224 1HG GLU 30 1HG GLU 30 -6.613 -5.045 7.744 225 2HG GLU 30 2HG GLU 30 -6.176 -4.522 6.118 226 H LEU 31 H LEU 31 -7.755 -8.147 4.136 227 HA LEU 31 HA LEU 31 -8.736 -10.450 5.303 228 1HB LEU 31 1HB LEU 31 -8.274 -9.678 2.445 229 2HB LEU 31 2HB LEU 31 -8.946 -11.253 2.862 230 HG LEU 31 HG LEU 31 -10.677 -9.631 2.232 231 1HD1 LEU 31 1HD1 LEU 31 -10.783 -10.365 5.153 232 2HD1 LEU 31 2HD1 LEU 31 -11.167 -11.450 3.817 233 3HD1 LEU 31 3HD1 LEU 31 -12.156 -10.018 4.102 234 1HD2 LEU 31 1HD2 LEU 31 -9.658 -7.575 2.940 235 2HD2 LEU 31 2HD2 LEU 31 -9.655 -8.104 4.623 236 3HD2 LEU 31 3HD2 LEU 31 -11.183 -7.776 3.804 237 H ALA 32 H ALA 32 -5.755 -9.984 3.478 238 HA ALA 32 HA ALA 32 -5.036 -12.717 3.311 239 1HB ALA 32 1HB ALA 32 -3.318 -10.242 3.200 240 2HB ALA 32 2HB ALA 32 -2.781 -11.868 2.779 241 3HB ALA 32 3HB ALA 32 -4.045 -11.084 1.832 242 H LEU 33 H LEU 33 -3.895 -10.129 5.485 243 HA LEU 33 HA LEU 33 -2.124 -11.423 7.056 244 1HB LEU 33 1HB LEU 33 -4.182 -9.361 7.632 245 2HB LEU 33 2HB LEU 33 -3.348 -10.094 9.000 246 HG LEU 33 HG LEU 33 -2.452 -7.880 8.037 247 1HD1 LEU 33 1HD1 LEU 33 -1.339 -9.511 9.655 248 2HD1 LEU 33 2HD1 LEU 33 -0.294 -8.396 8.776 249 3HD1 LEU 33 3HD1 LEU 33 -0.421 -10.078 8.260 250 1HD2 LEU 33 1HD2 LEU 33 -2.532 -8.801 5.671 251 2HD2 LEU 33 2HD2 LEU 33 -1.097 -9.735 6.097 252 3HD2 LEU 33 3HD2 LEU 33 -1.051 -7.972 6.148 253 H GLN 34 H GLN 34 -5.514 -12.071 6.862 254 HA GLN 34 HA GLN 34 -5.609 -13.611 9.303 255 1HB GLN 34 1HB GLN 34 -7.671 -13.614 7.107 256 2HB GLN 34 2HB GLN 34 -7.901 -13.983 8.811 257 1HG GLN 34 1HG GLN 34 -7.061 -11.487 9.081 258 2HG GLN 34 2HG GLN 34 -7.700 -11.364 7.443 259 1HE2 GLN 34 1HE2 GLN 34 -8.951 -9.803 9.044 260 2HE2 GLN 34 2HE2 GLN 34 -10.471 -10.429 9.572 261 H GLN 35 H GLN 35 -5.650 -14.282 5.819 262 HA GLN 35 HA GLN 35 -5.777 -17.106 6.114 263 1HB GLN 35 1HB GLN 35 -5.051 -15.300 3.817 264 2HB GLN 35 2HB GLN 35 -4.984 -17.052 3.678 265 1HG GLN 35 1HG GLN 35 -7.326 -17.246 4.081 266 2HG GLN 35 2HG GLN 35 -7.450 -15.536 4.489 267 1HE2 GLN 35 1HE2 GLN 35 -6.249 -14.214 2.578 268 2HE2 GLN 35 2HE2 GLN 35 -6.925 -14.547 1.023 269 H TYR 36 H TYR 36 -3.121 -14.845 5.461 270 HA TYR 36 HA TYR 36 -1.220 -17.030 5.988 271 1HB TYR 36 1HB TYR 36 -0.337 -14.445 4.788 272 2HB TYR 36 2HB TYR 36 0.281 -16.073 4.525 273 HD1 TYR 36 HD1 TYR 36 -2.689 -13.929 3.833 274 HD2 TYR 36 HD2 TYR 36 -0.317 -17.240 2.602 275 HE1 TYR 36 HE1 TYR 36 -3.989 -14.078 1.751 276 HE2 TYR 36 HE2 TYR 36 -1.610 -17.397 0.515 277 HH TYR 36 HH TYR 36 -3.503 -16.711 -0.534 278 HA PRO 37 HA PRO 37 -0.962 -14.368 9.737 279 1HB PRO 37 1HB PRO 37 -0.517 -16.440 11.434 280 2HB PRO 37 2HB PRO 37 -2.137 -15.932 10.942 281 1HG PRO 37 1HG PRO 37 -0.462 -18.184 9.902 282 2HG PRO 37 2HG PRO 37 -2.194 -18.161 10.282 283 1HD PRO 37 1HD PRO 37 -1.254 -17.942 7.752 284 2HD PRO 37 2HD PRO 37 -2.745 -17.142 8.289 285 H ARG 38 H ARG 38 0.814 -14.537 11.520 286 HA ARG 38 HA ARG 38 3.288 -14.084 10.377 287 1HB ARG 38 1HB ARG 38 2.525 -14.873 13.185 288 2HB ARG 38 2HB ARG 38 4.180 -14.487 12.734 289 1HG ARG 38 1HG ARG 38 1.945 -12.573 12.184 290 2HG ARG 38 2HG ARG 38 2.726 -12.644 13.765 291 1HD ARG 38 1HD ARG 38 4.337 -12.377 11.251 292 2HD ARG 38 2HD ARG 38 3.610 -10.965 12.018 293 HE ARG 38 HE ARG 38 5.006 -12.364 13.979 294 1HH1 ARG 38 1HH1 ARG 38 5.664 -10.611 11.044 295 2HH1 ARG 38 2HH1 ARG 38 7.246 -10.110 11.543 296 1HH2 ARG 38 1HH2 ARG 38 7.087 -11.711 14.647 297 2HH2 ARG 38 2HH2 ARG 38 8.055 -10.738 13.592 298 H GLY 39 H GLY 39 5.341 -15.314 10.863 299 1HA GLY 39 1HA GLY 39 5.748 -17.868 11.521 300 2HA GLY 39 2HA GLY 39 4.972 -18.054 9.955 301 H SER 40 H SER 40 6.395 -18.434 8.407 302 HA SER 40 HA SER 40 9.142 -17.525 8.693 303 1HB SER 40 1HB SER 40 9.695 -19.056 6.986 304 2HB SER 40 2HB SER 40 8.421 -19.866 7.898 305 HG SER 40 HG SER 40 6.944 -19.043 6.288 306 H SER 41 H SER 41 10.264 -16.489 6.892 307 HA SER 41 HA SER 41 9.185 -14.090 6.125 308 1HB SER 41 1HB SER 41 11.590 -14.679 5.953 309 2HB SER 41 2HB SER 41 11.225 -15.676 4.545 310 HG SER 41 HG SER 41 10.720 -12.889 4.749 311 H ASP 42 H ASP 42 8.596 -17.199 4.771 312 HA ASP 42 HA ASP 42 7.649 -16.308 2.224 313 1HB ASP 42 1HB ASP 42 8.499 -18.626 2.720 314 2HB ASP 42 2HB ASP 42 7.008 -18.914 3.614 315 H CYS 43 H CYS 43 6.197 -16.933 5.356 316 HA CYS 43 HA CYS 43 3.534 -17.109 4.805 317 1HB CYS 43 1HB CYS 43 4.983 -15.691 7.029 318 2HB CYS 43 2HB CYS 43 3.226 -15.736 6.969 319 HG CYS 43 HG CYS 43 5.097 -18.592 6.926 320 H TRP 44 H TRP 44 5.402 -14.097 5.091 321 HA TRP 44 HA TRP 44 3.179 -12.434 4.408 322 1HB TRP 44 1HB TRP 44 6.147 -11.896 4.568 323 2HB TRP 44 2HB TRP 44 4.957 -10.654 4.191 324 HD1 TRP 44 HD1 TRP 44 6.263 -12.772 7.083 325 HE1 TRP 44 HE1 TRP 44 5.351 -11.813 9.291 326 HE3 TRP 44 HE3 TRP 44 2.975 -9.349 5.184 327 HZ2 TRP 44 HZ2 TRP 44 3.484 -9.864 10.118 328 HZ3 TRP 44 HZ3 TRP 44 1.664 -7.977 6.751 329 HH2 TRP 44 HH2 TRP 44 1.914 -8.231 9.166 330 H ASP 45 H ASP 45 6.029 -13.617 2.661 331 HA ASP 45 HA ASP 45 5.924 -12.306 0.304 332 1HB ASP 45 1HB ASP 45 6.565 -15.128 1.006 333 2HB ASP 45 2HB ASP 45 6.398 -14.732 -0.703 334 H LYS 46 H LYS 46 3.589 -14.606 1.478 335 HA LYS 46 HA LYS 46 2.235 -14.878 -1.054 336 1HB LYS 46 1HB LYS 46 1.673 -15.818 1.745 337 2HB LYS 46 2HB LYS 46 0.461 -15.970 0.480 338 1HG LYS 46 1HG LYS 46 1.654 -17.556 -0.665 339 2HG LYS 46 2HG LYS 46 3.205 -17.011 -0.022 340 1HD LYS 46 1HD LYS 46 2.961 -18.921 1.197 341 2HD LYS 46 2HD LYS 46 2.103 -17.804 2.260 342 1HE LYS 46 1HE LYS 46 -0.009 -18.462 1.053 343 2HE LYS 46 2HE LYS 46 0.927 -19.734 0.269 344 1HZ LYS 46 1HZ LYS 46 -0.327 -19.870 2.715 345 2HZ LYS 46 2HZ LYS 46 1.322 -19.768 3.080 346 3HZ LYS 46 3HZ LYS 46 0.755 -20.998 2.065 347 H ILE 47 H ILE 47 1.806 -13.048 1.925 348 HA ILE 47 HA ILE 47 -0.759 -12.049 1.475 349 HB ILE 47 HB ILE 47 1.567 -10.749 2.894 350 1HG1 ILE 47 1HG1 ILE 47 -0.818 -11.961 4.236 351 2HG1 ILE 47 2HG1 ILE 47 0.453 -13.021 3.636 352 1HG2 ILE 47 1HG2 ILE 47 0.334 -8.939 3.266 353 2HG2 ILE 47 2HG2 ILE 47 -0.825 -9.556 2.090 354 3HG2 ILE 47 3HG2 ILE 47 -1.033 -9.914 3.804 355 1HD1 ILE 47 1HD1 ILE 47 0.378 -11.393 6.010 356 2HD1 ILE 47 2HD1 ILE 47 1.488 -12.688 5.562 357 3HD1 ILE 47 3HD1 ILE 47 1.799 -11.036 5.029 358 H ALA 48 H ALA 48 2.385 -10.864 0.380 359 HA ALA 48 HA ALA 48 1.518 -8.436 -0.730 360 1HB ALA 48 1HB ALA 48 3.932 -9.631 -0.396 361 2HB ALA 48 2HB ALA 48 3.719 -9.766 -2.142 362 3HB ALA 48 3HB ALA 48 3.656 -8.183 -1.366 363 H ARG 49 H ARG 49 1.308 -11.707 -1.874 364 HA ARG 49 HA ARG 49 1.026 -11.289 -4.618 365 1HB ARG 49 1HB ARG 49 -0.328 -13.371 -2.893 366 2HB ARG 49 2HB ARG 49 -0.181 -13.436 -4.644 367 1HG ARG 49 1HG ARG 49 2.315 -13.396 -4.324 368 2HG ARG 49 2HG ARG 49 2.013 -13.628 -2.601 369 1HD ARG 49 1HD ARG 49 2.374 -15.787 -3.432 370 2HD ARG 49 2HD ARG 49 0.622 -15.651 -3.294 371 HE ARG 49 HE ARG 49 1.205 -14.888 -5.863 372 1HH1 ARG 49 1HH1 ARG 49 1.736 -17.722 -3.912 373 2HH1 ARG 49 2HH1 ARG 49 1.689 -18.815 -5.256 374 1HH2 ARG 49 1HH2 ARG 49 1.140 -16.317 -7.640 375 2HH2 ARG 49 2HH2 ARG 49 1.350 -18.015 -7.376 376 H CYS 50 H CYS 50 -1.447 -11.340 -2.066 377 HA CYS 50 HA CYS 50 -3.630 -10.833 -3.798 378 1HB CYS 50 1HB CYS 50 -3.518 -11.680 -1.289 379 2HB CYS 50 2HB CYS 50 -3.713 -9.966 -0.942 380 HG CYS 50 HG CYS 50 -6.235 -10.922 -0.706 381 H VAL 51 H VAL 51 -1.083 -8.889 -2.963 382 HA VAL 51 HA VAL 51 -2.661 -6.441 -3.424 383 HB VAL 51 HB VAL 51 0.006 -6.376 -2.060 384 1HG1 VAL 51 1HG1 VAL 51 -2.324 -4.603 -1.484 385 2HG1 VAL 51 2HG1 VAL 51 -0.597 -4.256 -1.392 386 3HG1 VAL 51 3HG1 VAL 51 -1.394 -4.363 -2.962 387 1HG2 VAL 51 1HG2 VAL 51 -1.145 -6.472 0.116 388 2HG2 VAL 51 2HG2 VAL 51 -2.648 -6.879 -0.713 389 3HG2 VAL 51 3HG2 VAL 51 -1.277 -7.987 -0.778 390 HA PRO 52 HA PRO 52 0.058 -6.823 -7.082 391 1HB PRO 52 1HB PRO 52 -1.642 -5.502 -8.736 392 2HB PRO 52 2HB PRO 52 -1.798 -7.226 -8.375 393 1HG PRO 52 1HG PRO 52 -3.281 -4.904 -7.203 394 2HG PRO 52 2HG PRO 52 -3.901 -6.483 -7.719 395 1HD PRO 52 1HD PRO 52 -3.418 -5.886 -5.123 396 2HD PRO 52 2HD PRO 52 -3.224 -7.525 -5.777 397 H SER 53 H SER 53 -0.758 -4.399 -5.015 398 HA SER 53 HA SER 53 0.553 -2.315 -6.628 399 1HB SER 53 1HB SER 53 -1.541 -1.468 -5.972 400 2HB SER 53 2HB SER 53 -1.422 -2.175 -4.360 401 HG SER 53 HG SER 53 -0.948 -0.068 -4.066 402 H LYS 54 H LYS 54 0.423 -3.694 -3.359 403 HA LYS 54 HA LYS 54 3.025 -2.474 -2.769 404 1HB LYS 54 1HB LYS 54 1.293 -3.958 -0.804 405 2HB LYS 54 2HB LYS 54 2.554 -2.777 -0.473 406 1HG LYS 54 1HG LYS 54 0.137 -1.949 -2.011 407 2HG LYS 54 2HG LYS 54 0.044 -2.122 -0.256 408 1HD LYS 54 1HD LYS 54 1.634 -0.442 0.107 409 2HD LYS 54 2HD LYS 54 2.220 -0.513 -1.557 410 1HE LYS 54 1HE LYS 54 -0.260 0.191 -2.099 411 2HE LYS 54 2HE LYS 54 -0.213 0.800 -0.446 412 1HZ LYS 54 1HZ LYS 54 0.422 2.496 -2.051 413 2HZ LYS 54 2HZ LYS 54 1.696 1.530 -2.601 414 3HZ LYS 54 3HZ LYS 54 1.712 2.130 -1.019 415 H SER 55 H SER 55 4.649 -3.784 -1.665 416 HA SER 55 HA SER 55 4.639 -6.544 -2.682 417 1HB SER 55 1HB SER 55 6.814 -4.536 -2.219 418 2HB SER 55 2HB SER 55 7.202 -6.255 -2.160 419 HG SER 55 HG SER 55 7.363 -5.138 -4.273 420 H LYS 56 H LYS 56 5.947 -8.102 -1.337 421 HA LYS 56 HA LYS 56 4.808 -8.604 1.082 422 1HB LYS 56 1HB LYS 56 6.213 -10.228 -0.064 423 2HB LYS 56 2HB LYS 56 7.641 -9.247 0.242 424 1HG LYS 56 1HG LYS 56 5.992 -10.237 2.526 425 2HG LYS 56 2HG LYS 56 7.150 -11.307 1.733 426 1HD LYS 56 1HD LYS 56 8.758 -9.239 2.067 427 2HD LYS 56 2HD LYS 56 7.622 -8.860 3.364 428 1HE LYS 56 1HE LYS 56 7.967 -11.130 4.278 429 2HE LYS 56 2HE LYS 56 9.163 -11.431 3.018 430 1HZ LYS 56 1HZ LYS 56 9.649 -9.019 4.504 431 2HZ LYS 56 2HZ LYS 56 10.706 -10.282 4.119 432 3HZ LYS 56 3HZ LYS 56 9.691 -10.410 5.467 433 H GLU 57 H GLU 57 7.959 -6.989 0.643 434 HA GLU 57 HA GLU 57 8.531 -6.432 3.280 435 1HB GLU 57 1HB GLU 57 9.137 -4.890 0.765 436 2HB GLU 57 2HB GLU 57 9.741 -4.384 2.336 437 1HG GLU 57 1HG GLU 57 10.888 -6.530 2.583 438 2HG GLU 57 2HG GLU 57 10.294 -7.023 0.998 439 H ASP 58 H ASP 58 6.574 -4.526 1.021 440 HA ASP 58 HA ASP 58 6.052 -2.386 2.787 441 1HB ASP 58 1HB ASP 58 4.534 -3.400 0.377 442 2HB ASP 58 2HB ASP 58 4.130 -1.913 1.231 443 H CYS 59 H CYS 59 4.415 -5.444 2.184 444 HA CYS 59 HA CYS 59 2.043 -4.974 3.569 445 1HB CYS 59 1HB CYS 59 3.625 -7.473 3.020 446 2HB CYS 59 2HB CYS 59 2.140 -7.529 3.963 447 HG CYS 59 HG CYS 59 1.683 -8.333 1.281 448 H ILE 60 H ILE 60 5.178 -6.120 4.742 449 HA ILE 60 HA ILE 60 4.318 -6.550 7.420 450 HB ILE 60 HB ILE 60 7.092 -6.132 6.304 451 1HG1 ILE 60 1HG1 ILE 60 5.981 -8.732 7.296 452 2HG1 ILE 60 2HG1 ILE 60 5.572 -8.177 5.677 453 1HG2 ILE 60 1HG2 ILE 60 7.982 -6.849 8.374 454 2HG2 ILE 60 2HG2 ILE 60 6.799 -5.599 8.755 455 3HG2 ILE 60 3HG2 ILE 60 6.390 -7.298 8.985 456 1HD1 ILE 60 1HD1 ILE 60 8.145 -7.901 5.423 457 2HD1 ILE 60 2HD1 ILE 60 8.202 -9.028 6.779 458 3HD1 ILE 60 3HD1 ILE 60 7.403 -9.495 5.278 459 H ALA 61 H ALA 61 5.898 -3.861 5.753 460 HA ALA 61 HA ALA 61 6.361 -2.263 8.029 461 1HB ALA 61 1HB ALA 61 6.529 -0.392 6.389 462 2HB ALA 61 2HB ALA 61 7.534 -1.789 6.000 463 3HB ALA 61 3HB ALA 61 6.025 -1.519 5.129 464 H ARG 62 H ARG 62 3.500 -2.991 6.283 465 HA ARG 62 HA ARG 62 2.075 -0.640 7.237 466 1HB ARG 62 1HB ARG 62 1.726 -1.659 4.940 467 2HB ARG 62 2HB ARG 62 0.928 -3.001 5.750 468 1HG ARG 62 1HG ARG 62 -0.779 -1.553 5.016 469 2HG ARG 62 2HG ARG 62 -0.641 -1.309 6.758 470 1HD ARG 62 1HD ARG 62 0.585 0.722 6.441 471 2HD ARG 62 2HD ARG 62 0.711 0.434 4.707 472 HE ARG 62 HE ARG 62 -1.989 0.510 5.295 473 1HH1 ARG 62 1HH1 ARG 62 0.742 2.659 5.506 474 2HH1 ARG 62 2HH1 ARG 62 -0.204 4.094 5.288 475 1HH2 ARG 62 1HH2 ARG 62 -3.246 2.392 5.006 476 2HH2 ARG 62 2HH2 ARG 62 -2.473 3.941 5.005 477 H TYR 63 H TYR 63 2.344 -4.068 7.903 478 HA TYR 63 HA TYR 63 0.087 -4.459 9.478 479 1HB TYR 63 1HB TYR 63 1.532 -6.296 8.756 480 2HB TYR 63 2HB TYR 63 2.831 -5.700 9.784 481 HD1 TYR 63 HD1 TYR 63 -0.736 -6.793 10.026 482 HD2 TYR 63 HD2 TYR 63 3.093 -6.645 11.876 483 HE1 TYR 63 HE1 TYR 63 -1.587 -8.163 11.882 484 HE2 TYR 63 HE2 TYR 63 2.253 -8.016 13.737 485 HH TYR 63 HH TYR 63 0.272 -8.703 14.770 486 H LYS 64 H LYS 64 3.324 -3.354 10.434 487 HA LYS 64 HA LYS 64 3.104 -3.214 13.143 488 1HB LYS 64 1HB LYS 64 4.341 -1.163 11.299 489 2HB LYS 64 2HB LYS 64 4.608 -1.223 13.036 490 1HG LYS 64 1HG LYS 64 5.950 -3.056 12.912 491 2HG LYS 64 2HG LYS 64 5.152 -3.681 11.467 492 1HD LYS 64 1HD LYS 64 6.205 -1.881 10.145 493 2HD LYS 64 2HD LYS 64 7.052 -1.339 11.596 494 1HE LYS 64 1HE LYS 64 7.818 -3.866 11.660 495 2HE LYS 64 2HE LYS 64 7.480 -3.770 9.932 496 1HZ LYS 64 1HZ LYS 64 9.004 -1.543 10.902 497 2HZ LYS 64 2HZ LYS 64 9.301 -2.561 9.585 498 3HZ LYS 64 3HZ LYS 64 9.794 -3.021 11.136 499 H LEU 65 H LEU 65 1.881 -0.826 10.821 500 HA LEU 65 HA LEU 65 0.822 0.915 12.812 501 1HB LEU 65 1HB LEU 65 0.034 0.704 9.913 502 2HB LEU 65 2HB LEU 65 -0.239 2.076 10.985 503 HG LEU 65 HG LEU 65 2.414 2.001 11.126 504 1HD1 LEU 65 1HD1 LEU 65 2.577 1.524 8.334 505 2HD1 LEU 65 2HD1 LEU 65 1.841 0.112 9.092 506 3HD1 LEU 65 3HD1 LEU 65 3.412 0.692 9.646 507 1HD2 LEU 65 1HD2 LEU 65 0.968 3.877 10.391 508 2HD2 LEU 65 2HD2 LEU 65 0.947 3.180 8.771 509 3HD2 LEU 65 3HD2 LEU 65 2.466 3.743 9.469 510 H LEU 66 H LEU 66 -0.538 -1.652 10.800 511 HA LEU 66 HA LEU 66 -3.232 -1.312 11.424 512 1HB LEU 66 1HB LEU 66 -1.548 -3.570 10.499 513 2HB LEU 66 2HB LEU 66 -3.149 -3.957 11.125 514 HG LEU 66 HG LEU 66 -2.899 -1.860 9.021 515 1HD1 LEU 66 1HD1 LEU 66 -2.291 -3.226 7.371 516 2HD1 LEU 66 2HD1 LEU 66 -3.348 -4.517 7.940 517 3HD1 LEU 66 3HD1 LEU 66 -1.735 -4.330 8.629 518 1HD2 LEU 66 1HD2 LEU 66 -5.099 -2.457 8.509 519 2HD2 LEU 66 2HD2 LEU 66 -5.030 -2.539 10.270 520 3HD2 LEU 66 3HD2 LEU 66 -4.960 -4.021 9.313 521 H VAL 67 H VAL 67 -0.692 -3.066 13.138 522 HA VAL 67 HA VAL 67 -2.552 -3.914 15.208 523 HB VAL 67 HB VAL 67 -0.623 -5.046 16.217 524 1HG1 VAL 67 1HG1 VAL 67 -0.304 -5.845 13.403 525 2HG1 VAL 67 2HG1 VAL 67 -0.774 -6.800 14.810 526 3HG1 VAL 67 3HG1 VAL 67 -1.964 -5.787 13.993 527 1HG2 VAL 67 1HG2 VAL 67 1.556 -4.958 15.329 528 2HG2 VAL 67 2HG2 VAL 67 1.015 -4.139 13.864 529 3HG2 VAL 67 3HG2 VAL 67 1.018 -3.281 15.405 530 H SER 68 H SER 68 -0.367 -1.350 14.580 531 HA SER 68 HA SER 68 -0.176 -0.623 17.408 532 1HB SER 68 1HB SER 68 1.881 -0.530 16.043 533 2HB SER 68 2HB SER 68 1.117 0.658 14.987 534 HG SER 68 HG SER 68 1.373 1.067 17.772 535 H GLY 69 H GLY 69 -2.744 -0.480 16.337 536 1HA GLY 69 1HA GLY 69 -3.226 2.401 16.589 537 2HA GLY 69 2HA GLY 69 -3.881 1.576 15.182 538 HA PRO 70 HA PRO 70 -6.489 1.054 19.215 539 1HB PRO 70 1HB PRO 70 -7.972 3.328 19.231 540 2HB PRO 70 2HB PRO 70 -6.443 3.173 20.103 541 1HG PRO 70 1HG PRO 70 -6.988 4.440 17.446 542 2HG PRO 70 2HG PRO 70 -5.966 5.021 18.774 543 1HD PRO 70 1HD PRO 70 -4.951 3.795 16.584 544 2HD PRO 70 2HD PRO 70 -4.209 3.647 18.190 545 H SER 71 H SER 71 -8.571 0.267 19.106 546 HA SER 71 HA SER 71 -10.264 0.908 16.841 547 1HB SER 71 1HB SER 71 -9.096 -1.848 17.255 548 2HB SER 71 2HB SER 71 -10.523 -1.545 16.266 549 HG SER 71 HG SER 71 -7.862 -0.720 15.845 550 H SER 72 H SER 72 -12.202 1.214 17.689 551 HA SER 72 HA SER 72 -12.921 0.260 20.274 552 1HB SER 72 1HB SER 72 -14.768 1.430 18.184 553 2HB SER 72 2HB SER 72 -15.015 1.395 19.930 554 HG SER 72 HG SER 72 -12.814 2.604 19.789 555 H GLY 73 H GLY 73 -13.956 -1.544 20.864 556 1HA GLY 73 1HA GLY 73 -14.825 -3.667 20.677 557 2HA GLY 73 2HA GLY 73 -15.947 -2.907 19.558 Start of MODEL 2 1 1H GLY 1 1H GLY 1 23.041 -6.174 1.856 2 1HA GLY 1 1HA GLY 1 25.331 -6.319 1.692 3 2HA GLY 1 2HA GLY 1 25.234 -5.271 0.284 4 H SER 2 H SER 2 24.797 -2.914 0.810 5 HA SER 2 HA SER 2 26.874 -1.817 2.214 6 1HB SER 2 1HB SER 2 25.611 0.296 2.211 7 2HB SER 2 2HB SER 2 25.468 -0.533 0.662 8 HG SER 2 HG SER 2 23.557 -0.441 2.755 9 H SER 3 H SER 3 23.555 -2.290 3.409 10 HA SER 3 HA SER 3 22.677 -2.296 5.511 11 1HB SER 3 1HB SER 3 24.352 -4.280 5.497 12 2HB SER 3 2HB SER 3 25.346 -3.247 6.523 13 HG SER 3 HG SER 3 23.954 -4.607 7.739 14 H GLY 4 H GLY 4 23.643 0.188 4.730 15 1HA GLY 4 1HA GLY 4 24.473 1.276 7.340 16 2HA GLY 4 2HA GLY 4 25.289 1.792 5.872 17 H SER 5 H SER 5 23.947 3.516 7.675 18 HA SER 5 HA SER 5 21.494 4.259 6.257 19 1HB SER 5 1HB SER 5 22.622 5.382 8.833 20 2HB SER 5 2HB SER 5 21.027 5.711 8.157 21 HG SER 5 HG SER 5 20.996 3.191 8.277 22 H SER 6 H SER 6 22.418 5.139 4.386 23 HA SER 6 HA SER 6 24.460 7.078 4.366 24 1HB SER 6 1HB SER 6 22.265 6.698 2.316 25 2HB SER 6 2HB SER 6 23.821 7.487 2.056 26 HG SER 6 HG SER 6 23.306 4.750 2.562 27 H GLY 7 H GLY 7 24.088 9.343 3.457 28 1HA GLY 7 1HA GLY 7 22.332 10.723 5.277 29 2HA GLY 7 2HA GLY 7 23.419 11.462 4.111 30 H SER 8 H SER 8 20.256 9.997 4.556 31 HA SER 8 HA SER 8 19.351 10.526 1.898 32 1HB SER 8 1HB SER 8 18.451 8.843 3.725 33 2HB SER 8 2HB SER 8 17.439 10.214 4.178 34 HG SER 8 HG SER 8 16.716 8.609 2.455 35 H LEU 9 H LEU 9 17.382 11.911 1.511 36 HA LEU 9 HA LEU 9 17.882 14.550 2.658 37 1HB LEU 9 1HB LEU 9 16.198 13.705 0.304 38 2HB LEU 9 2HB LEU 9 16.464 15.369 0.817 39 HG LEU 9 HG LEU 9 18.806 13.657 0.100 40 1HD1 LEU 9 1HD1 LEU 9 16.669 14.492 -1.706 41 2HD1 LEU 9 2HD1 LEU 9 17.956 13.310 -1.937 42 3HD1 LEU 9 3HD1 LEU 9 18.275 15.023 -2.205 43 1HD2 LEU 9 1HD2 LEU 9 19.698 15.842 -0.616 44 2HD2 LEU 9 2HD2 LEU 9 19.236 15.821 1.086 45 3HD2 LEU 9 3HD2 LEU 9 18.191 16.603 -0.102 46 H ARG 10 H ARG 10 16.013 15.945 3.162 47 HA ARG 10 HA ARG 10 14.042 14.436 4.695 48 1HB ARG 10 1HB ARG 10 15.205 16.196 5.884 49 2HB ARG 10 2HB ARG 10 14.745 17.374 4.663 50 1HG ARG 10 1HG ARG 10 12.399 17.109 5.284 51 2HG ARG 10 2HG ARG 10 12.859 15.923 6.507 52 1HD ARG 10 1HD ARG 10 14.180 17.619 7.663 53 2HD ARG 10 2HD ARG 10 13.749 18.804 6.430 54 HE ARG 10 HE ARG 10 12.102 17.880 8.610 55 1HH1 ARG 10 1HH1 ARG 10 12.166 19.404 5.480 56 2HH1 ARG 10 2HH1 ARG 10 10.639 20.195 5.690 57 1HH2 ARG 10 1HH2 ARG 10 10.091 18.916 8.898 58 2HH2 ARG 10 2HH2 ARG 10 9.460 19.918 7.635 59 H LYS 11 H LYS 11 12.605 13.730 3.129 60 HA LYS 11 HA LYS 11 10.821 15.798 2.095 61 1HB LYS 11 1HB LYS 11 12.270 13.757 0.430 62 2HB LYS 11 2HB LYS 11 10.728 14.421 -0.091 63 1HG LYS 11 1HG LYS 11 13.144 16.091 0.565 64 2HG LYS 11 2HG LYS 11 12.717 15.551 -1.061 65 1HD LYS 11 1HD LYS 11 10.467 16.668 -0.679 66 2HD LYS 11 2HD LYS 11 11.195 17.418 0.743 67 1HE LYS 11 1HE LYS 11 13.072 18.058 -1.009 68 2HE LYS 11 2HE LYS 11 11.736 17.880 -2.145 69 1HZ LYS 11 1HZ LYS 11 12.222 20.156 -0.989 70 2HZ LYS 11 2HZ LYS 11 11.314 19.486 0.270 71 3HZ LYS 11 3HZ LYS 11 10.630 19.654 -1.268 72 H GLU 12 H GLU 12 8.798 14.776 1.150 73 HA GLU 12 HA GLU 12 8.147 12.255 2.516 74 1HB GLU 12 1HB GLU 12 5.940 13.157 3.110 75 2HB GLU 12 2HB GLU 12 7.239 14.076 3.858 76 1HG GLU 12 1HG GLU 12 7.016 15.754 2.038 77 2HG GLU 12 2HG GLU 12 5.610 14.865 1.456 78 H ARG 13 H ARG 13 7.198 14.588 0.021 79 HA ARG 13 HA ARG 13 5.511 12.659 -1.314 80 1HB ARG 13 1HB ARG 13 5.114 14.432 -2.941 81 2HB ARG 13 2HB ARG 13 4.918 15.043 -1.304 82 1HG ARG 13 1HG ARG 13 7.422 15.746 -1.590 83 2HG ARG 13 2HG ARG 13 7.037 15.634 -3.309 84 1HD ARG 13 1HD ARG 13 6.714 17.906 -2.476 85 2HD ARG 13 2HD ARG 13 5.189 17.196 -3.005 86 HE ARG 13 HE ARG 13 5.288 16.669 -0.331 87 1HH1 ARG 13 1HH1 ARG 13 5.509 19.548 -2.277 88 2HH1 ARG 13 2HH1 ARG 13 4.821 20.577 -1.064 89 1HH2 ARG 13 1HH2 ARG 13 4.381 18.013 1.273 90 2HH2 ARG 13 2HH2 ARG 13 4.181 19.703 0.954 91 H ALA 14 H ALA 14 8.632 14.230 -1.907 92 HA ALA 14 HA ALA 14 9.119 13.037 -4.420 93 1HB ALA 14 1HB ALA 14 10.359 14.949 -2.893 94 2HB ALA 14 2HB ALA 14 11.512 13.615 -2.857 95 3HB ALA 14 3HB ALA 14 10.978 14.277 -4.402 96 H ARG 15 H ARG 15 10.347 12.206 -1.176 97 HA ARG 15 HA ARG 15 11.740 9.897 -1.970 98 1HB ARG 15 1HB ARG 15 12.116 11.045 0.177 99 2HB ARG 15 2HB ARG 15 10.524 10.535 0.723 100 1HG ARG 15 1HG ARG 15 11.172 8.263 0.796 101 2HG ARG 15 2HG ARG 15 12.667 8.591 -0.081 102 1HD ARG 15 1HD ARG 15 13.354 10.048 1.851 103 2HD ARG 15 2HD ARG 15 11.953 9.426 2.723 104 HE ARG 15 HE ARG 15 13.118 7.507 3.120 105 1HH1 ARG 15 1HH1 ARG 15 14.590 9.171 0.439 106 2HH1 ARG 15 2HH1 ARG 15 15.927 8.075 0.324 107 1HH2 ARG 15 1HH2 ARG 15 14.873 6.057 2.978 108 2HH2 ARG 15 2HH2 ARG 15 16.087 6.303 1.768 109 H SER 16 H SER 16 8.483 10.294 -0.601 110 HA SER 16 HA SER 16 6.774 8.784 -0.331 111 1HB SER 16 1HB SER 16 5.945 7.932 -2.423 112 2HB SER 16 2HB SER 16 6.673 9.507 -2.740 113 HG SER 16 HG SER 16 8.085 7.074 -3.060 114 H ALA 17 H ALA 17 9.017 7.751 0.844 115 HA ALA 17 HA ALA 17 9.728 5.165 -0.071 116 1HB ALA 17 1HB ALA 17 11.299 5.475 1.461 117 2HB ALA 17 2HB ALA 17 10.445 6.889 2.080 118 3HB ALA 17 3HB ALA 17 10.087 5.289 2.729 119 H GLU 18 H GLU 18 7.283 6.353 2.177 120 HA GLU 18 HA GLU 18 6.187 3.620 2.313 121 1HB GLU 18 1HB GLU 18 5.218 4.285 4.518 122 2HB GLU 18 2HB GLU 18 6.975 4.221 4.497 123 1HG GLU 18 1HG GLU 18 6.699 6.184 5.587 124 2HG GLU 18 2HG GLU 18 6.703 6.787 3.931 125 H GLU 19 H GLU 19 5.399 4.956 0.182 126 HA GLU 19 HA GLU 19 3.471 6.826 0.118 127 1HB GLU 19 1HB GLU 19 3.777 4.275 -1.411 128 2HB GLU 19 2HB GLU 19 2.334 5.248 -1.660 129 1HG GLU 19 1HG GLU 19 3.821 7.184 -2.171 130 2HG GLU 19 2HG GLU 19 5.190 6.075 -2.107 131 HA PRO 20 HA PRO 20 -0.076 5.612 2.395 132 1HB PRO 20 1HB PRO 20 -2.094 6.569 0.852 133 2HB PRO 20 2HB PRO 20 -1.022 7.616 1.790 134 1HG PRO 20 1HG PRO 20 -0.928 6.931 -1.123 135 2HG PRO 20 2HG PRO 20 -0.697 8.503 -0.335 136 1HD PRO 20 1HD PRO 20 1.375 6.982 -1.185 137 2HD PRO 20 2HD PRO 20 1.486 8.037 0.238 138 H TRP 21 H TRP 21 -2.320 4.556 2.093 139 HA TRP 21 HA TRP 21 -2.117 2.405 0.089 140 1HB TRP 21 1HB TRP 21 -2.971 2.234 2.980 141 2HB TRP 21 2HB TRP 21 -3.300 0.962 1.807 142 HD1 TRP 21 HD1 TRP 21 -0.088 2.934 2.794 143 HE1 TRP 21 HE1 TRP 21 1.823 1.230 3.057 144 HE3 TRP 21 HE3 TRP 21 -2.663 -1.349 1.715 145 HZ2 TRP 21 HZ2 TRP 21 2.191 -1.560 2.836 146 HZ3 TRP 21 HZ3 TRP 21 -1.458 -3.494 1.762 147 HH2 TRP 21 HH2 TRP 21 0.919 -3.594 2.311 148 H THR 22 H THR 22 -3.953 1.845 -0.998 149 HA THR 22 HA THR 22 -6.173 3.708 -0.809 150 HB THR 22 HB THR 22 -6.763 3.102 -2.941 151 HG1 THR 22 HG1 THR 22 -5.478 0.606 -2.944 152 1HG2 THR 22 1HG2 THR 22 -4.006 1.995 -3.220 153 2HG2 THR 22 2HG2 THR 22 -4.207 3.661 -2.679 154 3HG2 THR 22 3HG2 THR 22 -4.861 3.154 -4.236 155 H GLN 23 H GLN 23 -8.412 2.604 -1.296 156 HA GLN 23 HA GLN 23 -9.101 1.130 1.012 157 1HB GLN 23 1HB GLN 23 -11.335 0.906 -0.107 158 2HB GLN 23 2HB GLN 23 -10.747 2.558 0.027 159 1HG GLN 23 1HG GLN 23 -10.263 2.698 -2.251 160 2HG GLN 23 2HG GLN 23 -10.319 0.948 -2.461 161 1HE2 GLN 23 1HE2 GLN 23 -12.199 -0.001 -2.983 162 2HE2 GLN 23 2HE2 GLN 23 -13.704 0.829 -3.158 163 H ASN 24 H ASN 24 -8.426 0.205 -2.308 164 HA ASN 24 HA ASN 24 -9.342 -2.473 -2.091 165 1HB ASN 24 1HB ASN 24 -8.742 -0.996 -4.198 166 2HB ASN 24 2HB ASN 24 -7.154 -1.730 -3.989 167 1HD2 ASN 24 1HD2 ASN 24 -10.442 -2.983 -3.567 168 2HD2 ASN 24 2HD2 ASN 24 -10.262 -4.307 -4.663 169 H GLN 25 H GLN 25 -6.072 -1.060 -2.002 170 HA GLN 25 HA GLN 25 -4.681 -3.428 -1.494 171 1HB GLN 25 1HB GLN 25 -4.125 -0.531 -1.131 172 2HB GLN 25 2HB GLN 25 -3.088 -1.662 -0.272 173 1HG GLN 25 1HG GLN 25 -1.903 -1.484 -2.190 174 2HG GLN 25 2HG GLN 25 -2.979 -2.799 -2.659 175 1HE2 GLN 25 1HE2 GLN 25 -4.778 -2.322 -3.996 176 2HE2 GLN 25 2HE2 GLN 25 -4.774 -0.930 -5.020 177 H GLN 26 H GLN 26 -5.604 -0.909 0.861 178 HA GLN 26 HA GLN 26 -4.822 -2.118 3.180 179 1HB GLN 26 1HB GLN 26 -5.874 0.159 2.925 180 2HB GLN 26 2HB GLN 26 -7.439 -0.643 2.888 181 1HG GLN 26 1HG GLN 26 -6.752 0.311 5.102 182 2HG GLN 26 2HG GLN 26 -7.221 -1.388 5.114 183 1HE2 GLN 26 1HE2 GLN 26 -5.561 -2.979 5.237 184 2HE2 GLN 26 2HE2 GLN 26 -4.035 -2.600 5.953 185 H LYS 27 H LYS 27 -7.590 -2.899 1.196 186 HA LYS 27 HA LYS 27 -8.779 -4.655 3.145 187 1HB LYS 27 1HB LYS 27 -10.438 -3.872 1.780 188 2HB LYS 27 2HB LYS 27 -9.389 -3.793 0.370 189 1HG LYS 27 1HG LYS 27 -9.494 -6.278 0.239 190 2HG LYS 27 2HG LYS 27 -10.692 -6.242 1.534 191 1HD LYS 27 1HD LYS 27 -11.161 -4.507 -0.830 192 2HD LYS 27 2HD LYS 27 -11.380 -6.247 -1.034 193 1HE LYS 27 1HE LYS 27 -12.624 -4.858 1.300 194 2HE LYS 27 2HE LYS 27 -13.381 -4.742 -0.287 195 1HZ LYS 27 1HZ LYS 27 -12.953 -7.359 -0.141 196 2HZ LYS 27 2HZ LYS 27 -14.381 -6.624 0.389 197 3HZ LYS 27 3HZ LYS 27 -13.170 -7.019 1.502 198 H LEU 28 H LEU 28 -7.383 -5.219 -0.093 199 HA LEU 28 HA LEU 28 -7.309 -7.945 -0.113 200 1HB LEU 28 1HB LEU 28 -5.207 -6.044 -1.136 201 2HB LEU 28 2HB LEU 28 -5.296 -7.753 -1.556 202 HG LEU 28 HG LEU 28 -7.446 -5.733 -2.185 203 1HD1 LEU 28 1HD1 LEU 28 -6.514 -5.322 -4.205 204 2HD1 LEU 28 2HD1 LEU 28 -5.768 -6.916 -4.312 205 3HD1 LEU 28 3HD1 LEU 28 -5.029 -5.663 -3.316 206 1HD2 LEU 28 1HD2 LEU 28 -8.601 -7.665 -2.353 207 2HD2 LEU 28 2HD2 LEU 28 -7.147 -8.649 -2.526 208 3HD2 LEU 28 3HD2 LEU 28 -7.784 -7.764 -3.913 209 H LEU 29 H LEU 29 -5.099 -5.767 1.547 210 HA LEU 29 HA LEU 29 -3.209 -7.734 2.313 211 1HB LEU 29 1HB LEU 29 -2.585 -5.428 2.333 212 2HB LEU 29 2HB LEU 29 -3.887 -5.032 3.453 213 HG LEU 29 HG LEU 29 -2.722 -6.374 5.192 214 1HD1 LEU 29 1HD1 LEU 29 -0.906 -6.866 2.918 215 2HD1 LEU 29 2HD1 LEU 29 -1.298 -7.884 4.303 216 3HD1 LEU 29 3HD1 LEU 29 -0.147 -6.560 4.480 217 1HD2 LEU 29 1HD2 LEU 29 -2.062 -3.815 4.163 218 2HD2 LEU 29 2HD2 LEU 29 -0.570 -4.586 4.700 219 3HD2 LEU 29 3HD2 LEU 29 -1.921 -4.404 5.820 220 H GLU 30 H GLU 30 -5.659 -6.055 4.296 221 HA GLU 30 HA GLU 30 -5.471 -7.434 6.622 222 1HB GLU 30 1HB GLU 30 -7.964 -6.487 5.210 223 2HB GLU 30 2HB GLU 30 -7.969 -7.097 6.858 224 1HG GLU 30 1HG GLU 30 -6.636 -5.307 7.628 225 2HG GLU 30 2HG GLU 30 -6.246 -4.799 5.986 226 H LEU 31 H LEU 31 -7.877 -8.350 4.152 227 HA LEU 31 HA LEU 31 -8.727 -10.725 5.122 228 1HB LEU 31 1HB LEU 31 -8.180 -9.845 2.315 229 2HB LEU 31 2HB LEU 31 -8.778 -11.471 2.638 230 HG LEU 31 HG LEU 31 -10.585 -9.959 2.004 231 1HD1 LEU 31 1HD1 LEU 31 -10.965 -11.821 3.608 232 2HD1 LEU 31 2HD1 LEU 31 -12.100 -10.484 3.781 233 3HD1 LEU 31 3HD1 LEU 31 -10.772 -10.666 4.927 234 1HD2 LEU 31 1HD2 LEU 31 -11.231 -8.106 3.445 235 2HD2 LEU 31 2HD2 LEU 31 -9.598 -7.873 2.822 236 3HD2 LEU 31 3HD2 LEU 31 -9.840 -8.412 4.484 237 H ALA 32 H ALA 32 -5.737 -10.211 3.291 238 HA ALA 32 HA ALA 32 -4.938 -12.903 3.149 239 1HB ALA 32 1HB ALA 32 -3.199 -10.439 3.198 240 2HB ALA 32 2HB ALA 32 -2.721 -12.041 2.635 241 3HB ALA 32 3HB ALA 32 -3.958 -11.134 1.766 242 H LEU 33 H LEU 33 -3.999 -10.344 5.446 243 HA LEU 33 HA LEU 33 -2.232 -11.647 7.042 244 1HB LEU 33 1HB LEU 33 -4.314 -9.600 7.555 245 2HB LEU 33 2HB LEU 33 -3.574 -10.367 8.959 246 HG LEU 33 HG LEU 33 -2.575 -8.166 8.211 247 1HD1 LEU 33 1HD1 LEU 33 -0.328 -8.858 8.707 248 2HD1 LEU 33 2HD1 LEU 33 -0.701 -10.526 8.273 249 3HD1 LEU 33 3HD1 LEU 33 -1.447 -9.797 9.695 250 1HD2 LEU 33 1HD2 LEU 33 -1.025 -8.221 6.343 251 2HD2 LEU 33 2HD2 LEU 33 -2.658 -8.605 5.798 252 3HD2 LEU 33 3HD2 LEU 33 -1.469 -9.893 5.999 253 H GLN 34 H GLN 34 -5.689 -12.161 6.888 254 HA GLN 34 HA GLN 34 -5.918 -13.716 9.250 255 1HB GLN 34 1HB GLN 34 -7.693 -13.922 6.821 256 2HB GLN 34 2HB GLN 34 -8.110 -14.271 8.493 257 1HG GLN 34 1HG GLN 34 -7.222 -11.521 7.818 258 2HG GLN 34 2HG GLN 34 -8.833 -12.030 7.313 259 1HE2 GLN 34 1HE2 GLN 34 -9.830 -10.582 8.708 260 2HE2 GLN 34 2HE2 GLN 34 -9.871 -10.830 10.417 261 H GLN 35 H GLN 35 -5.569 -14.583 5.821 262 HA GLN 35 HA GLN 35 -5.511 -17.391 6.324 263 1HB GLN 35 1HB GLN 35 -5.084 -15.624 3.971 264 2HB GLN 35 2HB GLN 35 -4.401 -17.242 3.898 265 1HG GLN 35 1HG GLN 35 -6.774 -17.997 4.621 266 2HG GLN 35 2HG GLN 35 -7.259 -16.401 4.050 267 1HE2 GLN 35 1HE2 GLN 35 -5.689 -16.030 1.883 268 2HE2 GLN 35 2HE2 GLN 35 -6.044 -17.209 0.672 269 H TYR 36 H TYR 36 -2.995 -15.027 5.450 270 HA TYR 36 HA TYR 36 -0.975 -16.956 6.381 271 1HB TYR 36 1HB TYR 36 -0.293 -14.533 4.755 272 2HB TYR 36 2HB TYR 36 0.548 -16.076 4.859 273 HD1 TYR 36 HD1 TYR 36 -2.492 -14.435 3.505 274 HD2 TYR 36 HD2 TYR 36 0.109 -17.797 3.312 275 HE1 TYR 36 HE1 TYR 36 -3.616 -15.179 1.448 276 HE2 TYR 36 HE2 TYR 36 -1.007 -18.550 1.254 277 HH TYR 36 HH TYR 36 -2.407 -17.883 -0.431 278 HA PRO 37 HA PRO 37 -1.016 -13.743 9.667 279 1HB PRO 37 1HB PRO 37 -0.404 -15.481 11.660 280 2HB PRO 37 2HB PRO 37 -2.056 -15.216 11.091 281 1HG PRO 37 1HG PRO 37 -0.149 -17.422 10.412 282 2HG PRO 37 2HG PRO 37 -1.882 -17.513 10.776 283 1HD PRO 37 1HD PRO 37 -0.919 -17.586 8.247 284 2HD PRO 37 2HD PRO 37 -2.491 -16.867 8.649 285 H ARG 38 H ARG 38 0.770 -13.923 11.682 286 HA ARG 38 HA ARG 38 3.276 -13.491 10.312 287 1HB ARG 38 1HB ARG 38 2.468 -13.197 13.208 288 2HB ARG 38 2HB ARG 38 4.074 -12.822 12.598 289 1HG ARG 38 1HG ARG 38 3.078 -10.753 12.613 290 2HG ARG 38 2HG ARG 38 2.797 -11.272 10.950 291 1HD ARG 38 1HD ARG 38 0.774 -10.314 11.873 292 2HD ARG 38 2HD ARG 38 0.550 -12.039 11.590 293 HE ARG 38 HE ARG 38 1.384 -11.408 14.266 294 1HH1 ARG 38 1HH1 ARG 38 -1.335 -11.738 12.117 295 2HH1 ARG 38 2HH1 ARG 38 -2.470 -12.045 13.390 296 1HH2 ARG 38 1HH2 ARG 38 -0.100 -11.811 15.950 297 2HH2 ARG 38 2HH2 ARG 38 -1.766 -12.086 15.570 298 H GLY 39 H GLY 39 5.291 -14.256 11.729 299 1HA GLY 39 1HA GLY 39 5.706 -16.352 13.221 300 2HA GLY 39 2HA GLY 39 5.051 -17.181 11.816 301 H SER 40 H SER 40 6.271 -15.396 9.886 302 HA SER 40 HA SER 40 9.065 -15.249 10.223 303 1HB SER 40 1HB SER 40 9.744 -17.102 8.717 304 2HB SER 40 2HB SER 40 8.990 -17.684 10.201 305 HG SER 40 HG SER 40 7.329 -17.239 8.010 306 H SER 41 H SER 41 10.166 -15.118 7.946 307 HA SER 41 HA SER 41 8.595 -13.214 6.430 308 1HB SER 41 1HB SER 41 10.695 -12.802 5.202 309 2HB SER 41 2HB SER 41 10.935 -12.696 6.946 310 HG SER 41 HG SER 41 11.448 -15.128 6.539 311 H ASP 42 H ASP 42 7.800 -16.008 6.350 312 HA ASP 42 HA ASP 42 8.303 -16.630 3.515 313 1HB ASP 42 1HB ASP 42 9.032 -18.412 5.002 314 2HB ASP 42 2HB ASP 42 7.450 -18.451 5.776 315 H CYS 43 H CYS 43 5.820 -16.303 5.992 316 HA CYS 43 HA CYS 43 3.633 -16.984 4.309 317 1HB CYS 43 1HB CYS 43 3.782 -15.472 6.920 318 2HB CYS 43 2HB CYS 43 2.267 -15.867 6.118 319 HG CYS 43 HG CYS 43 2.022 -18.181 7.184 320 H TRP 44 H TRP 44 4.789 -13.843 5.540 321 HA TRP 44 HA TRP 44 3.086 -12.095 4.401 322 1HB TRP 44 1HB TRP 44 6.102 -11.872 4.468 323 2HB TRP 44 2HB TRP 44 5.016 -10.527 4.126 324 HD1 TRP 44 HD1 TRP 44 6.537 -12.455 6.963 325 HE1 TRP 44 HE1 TRP 44 5.715 -11.493 9.204 326 HE3 TRP 44 HE3 TRP 44 2.823 -9.404 5.223 327 HZ2 TRP 44 HZ2 TRP 44 3.751 -9.681 10.114 328 HZ3 TRP 44 HZ3 TRP 44 1.518 -8.091 6.844 329 HH2 TRP 44 HH2 TRP 44 1.974 -8.228 9.239 330 H ASP 45 H ASP 45 5.909 -13.460 2.707 331 HA ASP 45 HA ASP 45 5.856 -12.332 0.292 332 1HB ASP 45 1HB ASP 45 7.059 -14.524 1.189 333 2HB ASP 45 2HB ASP 45 5.805 -15.314 0.237 334 H LYS 46 H LYS 46 3.563 -14.841 1.314 335 HA LYS 46 HA LYS 46 2.121 -14.892 -1.131 336 1HB LYS 46 1HB LYS 46 1.681 -15.939 1.628 337 2HB LYS 46 2HB LYS 46 0.304 -15.868 0.537 338 1HG LYS 46 1HG LYS 46 1.122 -17.495 -0.829 339 2HG LYS 46 2HG LYS 46 2.806 -17.105 -0.471 340 1HD LYS 46 1HD LYS 46 2.719 -18.224 1.613 341 2HD LYS 46 2HD LYS 46 0.959 -18.340 1.559 342 1HE LYS 46 1HE LYS 46 1.400 -19.700 -0.623 343 2HE LYS 46 2HE LYS 46 3.014 -19.905 0.055 344 1HZ LYS 46 1HZ LYS 46 0.677 -21.304 0.695 345 2HZ LYS 46 2HZ LYS 46 1.145 -20.434 2.068 346 3HZ LYS 46 3HZ LYS 46 2.229 -21.509 1.338 347 H ILE 47 H ILE 47 1.646 -13.192 1.937 348 HA ILE 47 HA ILE 47 -0.849 -12.085 1.501 349 HB ILE 47 HB ILE 47 1.514 -10.827 2.898 350 1HG1 ILE 47 1HG1 ILE 47 -0.854 -12.191 4.163 351 2HG1 ILE 47 2HG1 ILE 47 0.579 -13.092 3.683 352 1HG2 ILE 47 1HG2 ILE 47 0.276 -9.042 3.380 353 2HG2 ILE 47 2HG2 ILE 47 -0.864 -9.604 2.159 354 3HG2 ILE 47 3HG2 ILE 47 -1.099 -10.039 3.852 355 1HD1 ILE 47 1HD1 ILE 47 0.123 -11.424 6.002 356 2HD1 ILE 47 2HD1 ILE 47 1.367 -12.639 5.704 357 3HD1 ILE 47 3HD1 ILE 47 1.596 -10.985 5.138 358 H ALA 48 H ALA 48 2.309 -10.951 0.389 359 HA ALA 48 HA ALA 48 1.484 -8.491 -0.681 360 1HB ALA 48 1HB ALA 48 3.617 -9.739 -2.202 361 2HB ALA 48 2HB ALA 48 3.638 -8.281 -1.210 362 3HB ALA 48 3HB ALA 48 3.874 -9.860 -0.461 363 H ARG 49 H ARG 49 1.188 -11.742 -1.867 364 HA ARG 49 HA ARG 49 0.885 -11.290 -4.600 365 1HB ARG 49 1HB ARG 49 -0.549 -13.341 -2.902 366 2HB ARG 49 2HB ARG 49 -0.354 -13.402 -4.649 367 1HG ARG 49 1HG ARG 49 2.079 -13.554 -4.357 368 2HG ARG 49 2HG ARG 49 1.853 -13.546 -2.607 369 1HD ARG 49 1HD ARG 49 0.763 -15.634 -2.635 370 2HD ARG 49 2HD ARG 49 0.529 -15.576 -4.382 371 HE ARG 49 HE ARG 49 3.289 -15.542 -3.719 372 1HH1 ARG 49 1HH1 ARG 49 0.522 -17.643 -3.945 373 2HH1 ARG 49 2HH1 ARG 49 1.464 -19.067 -4.244 374 1HH2 ARG 49 1HH2 ARG 49 4.540 -17.409 -4.111 375 2HH2 ARG 49 2HH2 ARG 49 3.749 -18.932 -4.337 376 H CYS 50 H CYS 50 -1.597 -11.357 -2.050 377 HA CYS 50 HA CYS 50 -3.783 -10.784 -3.717 378 1HB CYS 50 1HB CYS 50 -3.621 -11.532 -1.179 379 2HB CYS 50 2HB CYS 50 -3.759 -9.801 -0.899 380 HG CYS 50 HG CYS 50 -6.030 -11.349 -2.899 381 H VAL 51 H VAL 51 -1.206 -8.827 -2.696 382 HA VAL 51 HA VAL 51 -2.712 -6.369 -3.294 383 HB VAL 51 HB VAL 51 0.016 -6.410 -2.037 384 1HG1 VAL 51 1HG1 VAL 51 -0.367 -4.217 -1.520 385 2HG1 VAL 51 2HG1 VAL 51 -1.321 -4.345 -2.999 386 3HG1 VAL 51 3HG1 VAL 51 -2.115 -4.429 -1.426 387 1HG2 VAL 51 1HG2 VAL 51 -2.589 -6.494 -0.522 388 2HG2 VAL 51 2HG2 VAL 51 -1.508 -7.873 -0.721 389 3HG2 VAL 51 3HG2 VAL 51 -0.962 -6.444 0.157 390 HA PRO 52 HA PRO 52 -0.171 -6.937 -7.065 391 1HB PRO 52 1HB PRO 52 -1.946 -5.688 -8.696 392 2HB PRO 52 2HB PRO 52 -2.081 -7.395 -8.257 393 1HG PRO 52 1HG PRO 52 -3.516 -5.026 -7.119 394 2HG PRO 52 2HG PRO 52 -4.155 -6.626 -7.539 395 1HD PRO 52 1HD PRO 52 -3.558 -5.919 -4.995 396 2HD PRO 52 2HD PRO 52 -3.391 -7.584 -5.587 397 H SER 53 H SER 53 -0.897 -4.429 -5.067 398 HA SER 53 HA SER 53 0.323 -2.409 -6.826 399 1HB SER 53 1HB SER 53 -1.728 -1.534 -6.086 400 2HB SER 53 2HB SER 53 -1.526 -2.190 -4.461 401 HG SER 53 HG SER 53 -1.141 0.128 -4.709 402 H LYS 54 H LYS 54 0.360 -3.605 -3.478 403 HA LYS 54 HA LYS 54 2.998 -2.386 -3.097 404 1HB LYS 54 1HB LYS 54 1.501 -3.802 -0.924 405 2HB LYS 54 2HB LYS 54 2.625 -2.454 -0.805 406 1HG LYS 54 1HG LYS 54 -0.002 -2.097 -2.181 407 2HG LYS 54 2HG LYS 54 0.099 -2.053 -0.419 408 1HD LYS 54 1HD LYS 54 1.382 -0.133 -0.409 409 2HD LYS 54 2HD LYS 54 1.986 -0.403 -2.045 410 1HE LYS 54 1HE LYS 54 -0.552 -0.093 -2.671 411 2HE LYS 54 2HE LYS 54 -0.597 0.772 -1.135 412 1HZ LYS 54 1HZ LYS 54 1.625 1.737 -2.394 413 2HZ LYS 54 2HZ LYS 54 0.129 2.517 -2.276 414 3HZ LYS 54 3HZ LYS 54 0.494 1.591 -3.644 415 H SER 55 H SER 55 4.614 -3.689 -1.867 416 HA SER 55 HA SER 55 4.656 -6.427 -2.928 417 1HB SER 55 1HB SER 55 6.797 -4.455 -2.203 418 2HB SER 55 2HB SER 55 7.167 -6.179 -2.216 419 HG SER 55 HG SER 55 7.544 -5.063 -4.241 420 H LYS 56 H LYS 56 6.146 -7.891 -1.466 421 HA LYS 56 HA LYS 56 4.719 -8.476 0.855 422 1HB LYS 56 1HB LYS 56 6.064 -10.160 -0.233 423 2HB LYS 56 2HB LYS 56 7.532 -9.236 0.056 424 1HG LYS 56 1HG LYS 56 5.861 -10.140 2.359 425 2HG LYS 56 2HG LYS 56 6.966 -11.264 1.565 426 1HD LYS 56 1HD LYS 56 8.644 -9.227 1.872 427 2HD LYS 56 2HD LYS 56 7.548 -8.856 3.205 428 1HE LYS 56 1HE LYS 56 7.895 -11.072 4.135 429 2HE LYS 56 2HE LYS 56 8.924 -11.506 2.771 430 1HZ LYS 56 1HZ LYS 56 9.488 -9.706 5.024 431 2HZ LYS 56 2HZ LYS 56 10.266 -9.440 3.546 432 3HZ LYS 56 3HZ LYS 56 10.459 -10.917 4.349 433 H GLU 57 H GLU 57 7.946 -6.982 0.572 434 HA GLU 57 HA GLU 57 8.482 -6.528 3.224 435 1HB GLU 57 1HB GLU 57 9.172 -4.992 0.742 436 2HB GLU 57 2HB GLU 57 9.660 -4.386 2.318 437 1HG GLU 57 1HG GLU 57 11.061 -6.206 2.720 438 2HG GLU 57 2HG GLU 57 10.307 -7.180 1.459 439 H ASP 58 H ASP 58 6.646 -4.430 1.023 440 HA ASP 58 HA ASP 58 6.124 -2.366 2.844 441 1HB ASP 58 1HB ASP 58 4.327 -3.266 0.584 442 2HB ASP 58 2HB ASP 58 4.377 -1.668 1.324 443 H CYS 59 H CYS 59 4.336 -5.333 2.126 444 HA CYS 59 HA CYS 59 2.032 -4.889 3.579 445 1HB CYS 59 1HB CYS 59 3.580 -7.455 3.179 446 2HB CYS 59 2HB CYS 59 1.962 -7.387 3.867 447 HG CYS 59 HG CYS 59 0.632 -6.843 1.640 448 H ILE 60 H ILE 60 5.130 -6.182 4.729 449 HA ILE 60 HA ILE 60 4.311 -6.611 7.397 450 HB ILE 60 HB ILE 60 7.071 -6.124 6.273 451 1HG1 ILE 60 1HG1 ILE 60 6.035 -8.760 7.242 452 2HG1 ILE 60 2HG1 ILE 60 5.567 -8.191 5.643 453 1HG2 ILE 60 1HG2 ILE 60 7.988 -6.857 8.326 454 2HG2 ILE 60 2HG2 ILE 60 6.790 -5.629 8.732 455 3HG2 ILE 60 3HG2 ILE 60 6.408 -7.338 8.944 456 1HD1 ILE 60 1HD1 ILE 60 7.416 -9.408 5.121 457 2HD1 ILE 60 2HD1 ILE 60 8.160 -7.831 5.389 458 3HD1 ILE 60 3HD1 ILE 60 8.217 -9.060 6.653 459 H ALA 61 H ALA 61 6.356 -4.012 6.050 460 HA ALA 61 HA ALA 61 6.634 -2.430 8.262 461 1HB ALA 61 1HB ALA 61 6.692 -0.488 6.626 462 2HB ALA 61 2HB ALA 61 7.814 -1.815 6.322 463 3HB ALA 61 3HB ALA 61 6.337 -1.673 5.369 464 H ARG 62 H ARG 62 3.810 -2.773 6.214 465 HA ARG 62 HA ARG 62 2.398 -0.543 7.313 466 1HB ARG 62 1HB ARG 62 2.062 -1.857 5.049 467 2HB ARG 62 2HB ARG 62 0.984 -2.841 6.030 468 1HG ARG 62 1HG ARG 62 -0.167 -1.031 4.808 469 2HG ARG 62 2HG ARG 62 -0.371 -0.934 6.558 470 1HD ARG 62 1HD ARG 62 0.153 1.229 5.281 471 2HD ARG 62 2HD ARG 62 1.072 0.887 6.746 472 HE ARG 62 HE ARG 62 2.326 -0.045 4.329 473 1HH1 ARG 62 1HH1 ARG 62 1.927 2.637 6.512 474 2HH1 ARG 62 2HH1 ARG 62 3.419 3.394 6.061 475 1HH2 ARG 62 1HH2 ARG 62 4.292 0.941 3.727 476 2HH2 ARG 62 2HH2 ARG 62 4.763 2.429 4.477 477 H TYR 63 H TYR 63 2.288 -4.053 7.817 478 HA TYR 63 HA TYR 63 0.169 -4.306 9.519 479 1HB TYR 63 1HB TYR 63 1.535 -6.199 8.740 480 2HB TYR 63 2HB TYR 63 2.845 -5.691 9.800 481 HD1 TYR 63 HD1 TYR 63 -0.564 -7.096 9.706 482 HD2 TYR 63 HD2 TYR 63 2.812 -6.197 12.134 483 HE1 TYR 63 HE1 TYR 63 -1.514 -8.458 11.520 484 HE2 TYR 63 HE2 TYR 63 1.872 -7.557 13.955 485 HH TYR 63 HH TYR 63 0.227 -8.907 14.584 486 H LYS 64 H LYS 64 3.383 -3.087 10.275 487 HA LYS 64 HA LYS 64 3.278 -3.037 13.041 488 1HB LYS 64 1HB LYS 64 4.584 -1.173 11.066 489 2HB LYS 64 2HB LYS 64 4.780 -0.979 12.803 490 1HG LYS 64 1HG LYS 64 6.069 -2.854 13.010 491 2HG LYS 64 2HG LYS 64 5.352 -3.637 11.600 492 1HD LYS 64 1HD LYS 64 6.506 -1.903 10.186 493 2HD LYS 64 2HD LYS 64 7.368 -1.397 11.642 494 1HE LYS 64 1HE LYS 64 7.945 -3.948 11.809 495 2HE LYS 64 2HE LYS 64 7.586 -3.933 10.083 496 1HZ LYS 64 1HZ LYS 64 9.987 -3.480 10.924 497 2HZ LYS 64 2HZ LYS 64 9.411 -1.911 11.183 498 3HZ LYS 64 3HZ LYS 64 9.364 -2.584 9.631 499 H LEU 65 H LEU 65 1.826 -0.847 10.709 500 HA LEU 65 HA LEU 65 0.944 1.007 12.740 501 1HB LEU 65 1HB LEU 65 0.258 0.814 9.811 502 2HB LEU 65 2HB LEU 65 -0.199 2.139 10.880 503 HG LEU 65 HG LEU 65 2.443 2.250 11.212 504 1HD1 LEU 65 1HD1 LEU 65 3.697 1.279 9.648 505 2HD1 LEU 65 2HD1 LEU 65 2.612 1.774 8.349 506 3HD1 LEU 65 3HD1 LEU 65 2.274 0.309 9.270 507 1HD2 LEU 65 1HD2 LEU 65 0.999 4.080 10.488 508 2HD2 LEU 65 2HD2 LEU 65 0.953 3.408 8.858 509 3HD2 LEU 65 3HD2 LEU 65 2.473 4.012 9.521 510 H LEU 66 H LEU 66 -0.394 -1.646 10.880 511 HA LEU 66 HA LEU 66 -3.113 -1.237 11.383 512 1HB LEU 66 1HB LEU 66 -1.426 -3.593 10.712 513 2HB LEU 66 2HB LEU 66 -3.079 -3.876 11.252 514 HG LEU 66 HG LEU 66 -3.587 -2.085 9.347 515 1HD1 LEU 66 1HD1 LEU 66 -2.126 -2.104 7.548 516 2HD1 LEU 66 2HD1 LEU 66 -1.285 -3.547 8.115 517 3HD1 LEU 66 3HD1 LEU 66 -1.040 -2.004 8.934 518 1HD2 LEU 66 1HD2 LEU 66 -3.217 -4.543 7.972 519 2HD2 LEU 66 2HD2 LEU 66 -4.707 -3.853 8.617 520 3HD2 LEU 66 3HD2 LEU 66 -3.712 -4.904 9.626 521 H VAL 67 H VAL 67 -0.763 -3.226 13.175 522 HA VAL 67 HA VAL 67 -2.594 -3.930 15.235 523 HB VAL 67 HB VAL 67 -0.577 -4.687 16.476 524 1HG1 VAL 67 1HG1 VAL 67 -0.918 -5.528 13.608 525 2HG1 VAL 67 2HG1 VAL 67 0.142 -6.375 14.736 526 3HG1 VAL 67 3HG1 VAL 67 -1.591 -6.281 15.053 527 1HG2 VAL 67 1HG2 VAL 67 0.943 -2.925 15.633 528 2HG2 VAL 67 2HG2 VAL 67 1.610 -4.549 15.462 529 3HG2 VAL 67 3HG2 VAL 67 0.943 -3.717 14.057 530 H SER 68 H SER 68 -0.386 -1.275 14.736 531 HA SER 68 HA SER 68 -0.653 -0.341 17.475 532 1HB SER 68 1HB SER 68 1.482 -0.169 16.056 533 2HB SER 68 2HB SER 68 0.674 1.155 15.217 534 HG SER 68 HG SER 68 1.140 2.388 16.840 535 H GLY 69 H GLY 69 -3.127 -0.444 16.488 536 1HA GLY 69 1HA GLY 69 -4.184 2.079 16.870 537 2HA GLY 69 2HA GLY 69 -3.972 1.917 15.133 538 HA PRO 70 HA PRO 70 -7.213 -1.398 16.603 539 1HB PRO 70 1HB PRO 70 -8.384 -0.856 18.991 540 2HB PRO 70 2HB PRO 70 -6.941 -1.865 18.836 541 1HG PRO 70 1HG PRO 70 -7.162 1.021 19.601 542 2HG PRO 70 2HG PRO 70 -6.151 -0.251 20.311 543 1HD PRO 70 1HD PRO 70 -5.181 1.574 18.561 544 2HD PRO 70 2HD PRO 70 -4.558 -0.086 18.653 545 H SER 71 H SER 71 -9.003 -1.046 15.462 546 HA SER 71 HA SER 71 -10.115 1.567 15.168 547 1HB SER 71 1HB SER 71 -11.830 0.362 13.761 548 2HB SER 71 2HB SER 71 -10.157 0.115 13.260 549 HG SER 71 HG SER 71 -11.790 -1.660 14.752 550 H SER 72 H SER 72 -10.539 -0.857 17.453 551 HA SER 72 HA SER 72 -12.886 0.499 18.524 552 1HB SER 72 1HB SER 72 -14.070 -1.638 18.919 553 2HB SER 72 2HB SER 72 -13.848 -1.318 17.199 554 HG SER 72 HG SER 72 -13.178 -3.358 17.380 555 H GLY 73 H GLY 73 -12.615 0.859 20.624 556 1HA GLY 73 1HA GLY 73 -12.214 -0.290 22.812 557 2HA GLY 73 2HA GLY 73 -10.725 -0.878 22.089 Start of MODEL 3 1 1H GLY 1 1H GLY 1 4.649 -9.887 -19.866 2 1HA GLY 1 1HA GLY 1 5.466 -7.923 -17.910 3 2HA GLY 1 2HA GLY 1 5.929 -7.967 -19.605 4 H SER 2 H SER 2 4.686 -5.931 -17.594 5 HA SER 2 HA SER 2 2.227 -5.192 -18.904 6 1HB SER 2 1HB SER 2 2.578 -4.814 -16.478 7 2HB SER 2 2HB SER 2 3.854 -3.658 -16.862 8 HG SER 2 HG SER 2 2.159 -2.360 -16.721 9 H SER 3 H SER 3 1.862 -3.211 -20.017 10 HA SER 3 HA SER 3 4.018 -2.522 -21.793 11 1HB SER 3 1HB SER 3 1.170 -1.528 -21.574 12 2HB SER 3 2HB SER 3 2.301 -0.990 -22.816 13 HG SER 3 HG SER 3 0.778 -3.142 -22.844 14 H GLY 4 H GLY 4 4.269 -0.087 -22.334 15 1HA GLY 4 1HA GLY 4 4.104 1.641 -19.994 16 2HA GLY 4 2HA GLY 4 5.725 1.242 -20.543 17 H SER 5 H SER 5 5.906 3.588 -20.813 18 HA SER 5 HA SER 5 4.791 4.440 -23.405 19 1HB SER 5 1HB SER 5 3.900 5.605 -21.266 20 2HB SER 5 2HB SER 5 5.477 6.394 -21.221 21 HG SER 5 HG SER 5 4.704 7.716 -22.643 22 H SER 6 H SER 6 6.104 6.148 -24.479 23 HA SER 6 HA SER 6 8.954 5.529 -24.154 24 1HB SER 6 1HB SER 6 8.061 5.058 -26.371 25 2HB SER 6 2HB SER 6 7.448 6.707 -26.502 26 HG SER 6 HG SER 6 9.341 6.863 -27.504 27 H GLY 7 H GLY 7 10.525 7.232 -24.338 28 1HA GLY 7 1HA GLY 7 10.610 9.787 -24.614 29 2HA GLY 7 2HA GLY 7 9.498 9.770 -23.253 30 H SER 8 H SER 8 11.690 11.195 -22.874 31 HA SER 8 HA SER 8 14.083 10.265 -22.134 32 1HB SER 8 1HB SER 8 14.260 12.018 -20.534 33 2HB SER 8 2HB SER 8 13.149 12.607 -21.770 34 HG SER 8 HG SER 8 11.825 12.908 -20.176 35 H LEU 9 H LEU 9 15.065 9.306 -20.327 36 HA LEU 9 HA LEU 9 13.229 7.741 -18.635 37 1HB LEU 9 1HB LEU 9 15.387 6.258 -18.446 38 2HB LEU 9 2HB LEU 9 14.272 6.088 -19.800 39 HG LEU 9 HG LEU 9 16.619 7.905 -20.089 40 1HD1 LEU 9 1HD1 LEU 9 17.752 6.034 -19.234 41 2HD1 LEU 9 2HD1 LEU 9 17.865 5.882 -20.987 42 3HD1 LEU 9 3HD1 LEU 9 16.704 4.903 -20.090 43 1HD2 LEU 9 1HD2 LEU 9 15.896 7.945 -22.184 44 2HD2 LEU 9 2HD2 LEU 9 14.559 6.886 -21.736 45 3HD2 LEU 9 3HD2 LEU 9 16.081 6.195 -22.301 46 H ARG 10 H ARG 10 13.374 7.996 -16.498 47 HA ARG 10 HA ARG 10 15.843 8.814 -15.238 48 1HB ARG 10 1HB ARG 10 13.513 10.652 -15.553 49 2HB ARG 10 2HB ARG 10 14.407 10.691 -14.039 50 1HG ARG 10 1HG ARG 10 15.532 11.156 -16.792 51 2HG ARG 10 2HG ARG 10 15.243 12.376 -15.550 52 1HD ARG 10 1HD ARG 10 16.797 10.838 -14.110 53 2HD ARG 10 2HD ARG 10 17.339 10.255 -15.684 54 HE ARG 10 HE ARG 10 18.555 12.165 -15.864 55 1HH1 ARG 10 1HH1 ARG 10 15.858 12.789 -13.753 56 2HH1 ARG 10 2HH1 ARG 10 16.329 14.422 -13.418 57 1HH2 ARG 10 1HH2 ARG 10 19.187 14.313 -15.430 58 2HH2 ARG 10 2HH2 ARG 10 18.223 15.288 -14.373 59 H LYS 11 H LYS 11 15.927 8.300 -13.073 60 HA LYS 11 HA LYS 11 13.723 6.639 -12.107 61 1HB LYS 11 1HB LYS 11 16.559 6.958 -11.109 62 2HB LYS 11 2HB LYS 11 15.365 5.878 -10.401 63 1HG LYS 11 1HG LYS 11 16.062 5.660 -13.298 64 2HG LYS 11 2HG LYS 11 17.103 4.941 -12.068 65 1HD LYS 11 1HD LYS 11 15.441 3.463 -11.356 66 2HD LYS 11 2HD LYS 11 14.151 4.412 -12.097 67 1HE LYS 11 1HE LYS 11 16.280 3.183 -13.800 68 2HE LYS 11 2HE LYS 11 14.941 2.196 -13.214 69 1HZ LYS 11 1HZ LYS 11 14.980 4.105 -15.324 70 2HZ LYS 11 2HZ LYS 11 13.775 4.477 -14.197 71 3HZ LYS 11 3HZ LYS 11 13.798 2.957 -14.939 72 H GLU 12 H GLU 12 12.422 8.591 -11.697 73 HA GLU 12 HA GLU 12 13.268 10.207 -9.421 74 1HB GLU 12 1HB GLU 12 11.281 11.557 -9.890 75 2HB GLU 12 2HB GLU 12 12.262 11.353 -11.335 76 1HG GLU 12 1HG GLU 12 10.727 9.528 -12.041 77 2HG GLU 12 2HG GLU 12 9.702 9.926 -10.664 78 H ARG 13 H ARG 13 10.706 7.941 -10.327 79 HA ARG 13 HA ARG 13 9.041 8.036 -8.174 80 1HB ARG 13 1HB ARG 13 8.566 5.655 -8.557 81 2HB ARG 13 2HB ARG 13 8.666 6.548 -10.069 82 1HG ARG 13 1HG ARG 13 10.794 5.641 -10.570 83 2HG ARG 13 2HG ARG 13 10.964 4.974 -8.945 84 1HD ARG 13 1HD ARG 13 8.750 3.709 -9.597 85 2HD ARG 13 2HD ARG 13 9.320 4.015 -11.237 86 HE ARG 13 HE ARG 13 11.352 2.887 -9.580 87 1HH1 ARG 13 1HH1 ARG 13 8.541 2.129 -11.487 88 2HH1 ARG 13 2HH1 ARG 13 9.035 0.499 -11.805 89 1HH2 ARG 13 1HH2 ARG 13 12.014 0.744 -9.991 90 2HH2 ARG 13 2HH2 ARG 13 11.010 -0.288 -10.953 91 H ALA 14 H ALA 14 12.252 6.632 -8.312 92 HA ALA 14 HA ALA 14 12.383 5.065 -6.090 93 1HB ALA 14 1HB ALA 14 14.739 5.664 -5.908 94 2HB ALA 14 2HB ALA 14 14.271 5.442 -7.594 95 3HB ALA 14 3HB ALA 14 14.470 7.068 -6.941 96 H ARG 15 H ARG 15 12.451 8.599 -6.186 97 HA ARG 15 HA ARG 15 13.135 9.249 -3.628 98 1HB ARG 15 1HB ARG 15 11.947 11.287 -3.900 99 2HB ARG 15 2HB ARG 15 12.501 10.822 -5.503 100 1HG ARG 15 1HG ARG 15 10.252 9.890 -5.959 101 2HG ARG 15 2HG ARG 15 9.722 10.507 -4.392 102 1HD ARG 15 1HD ARG 15 10.071 12.756 -5.062 103 2HD ARG 15 2HD ARG 15 10.939 12.258 -6.514 104 HE ARG 15 HE ARG 15 8.362 11.189 -6.634 105 1HH1 ARG 15 1HH1 ARG 15 9.939 14.292 -6.695 106 2HH1 ARG 15 2HH1 ARG 15 8.717 15.040 -7.669 107 1HH2 ARG 15 1HH2 ARG 15 6.746 12.162 -7.915 108 2HH2 ARG 15 2HH2 ARG 15 6.900 13.828 -8.361 109 H SER 16 H SER 16 9.898 8.307 -4.751 110 HA SER 16 HA SER 16 8.332 8.630 -2.595 111 1HB SER 16 1HB SER 16 7.031 6.721 -3.285 112 2HB SER 16 2HB SER 16 7.677 7.490 -4.734 113 HG SER 16 HG SER 16 7.938 4.988 -4.034 114 H ALA 17 H ALA 17 8.742 8.338 -0.511 115 HA ALA 17 HA ALA 17 10.483 6.180 0.368 116 1HB ALA 17 1HB ALA 17 11.101 7.796 1.769 117 2HB ALA 17 2HB ALA 17 9.670 8.762 1.407 118 3HB ALA 17 3HB ALA 17 9.592 7.494 2.631 119 H GLU 18 H GLU 18 7.207 7.365 1.135 120 HA GLU 18 HA GLU 18 6.331 4.617 1.529 121 1HB GLU 18 1HB GLU 18 6.542 6.652 3.692 122 2HB GLU 18 2HB GLU 18 5.124 5.612 3.687 123 1HG GLU 18 1HG GLU 18 7.918 4.527 3.557 124 2HG GLU 18 2HG GLU 18 7.095 4.858 5.079 125 H GLU 19 H GLU 19 4.752 4.573 0.053 126 HA GLU 19 HA GLU 19 3.021 6.873 -0.337 127 1HB GLU 19 1HB GLU 19 3.526 4.315 -1.782 128 2HB GLU 19 2HB GLU 19 1.966 5.093 -2.006 129 1HG GLU 19 1HG GLU 19 3.448 7.213 -2.452 130 2HG GLU 19 2HG GLU 19 4.675 6.002 -2.822 131 HA PRO 20 HA PRO 20 -0.392 5.515 2.060 132 1HB PRO 20 1HB PRO 20 -2.498 6.276 0.525 133 2HB PRO 20 2HB PRO 20 -1.482 7.428 1.401 134 1HG PRO 20 1HG PRO 20 -1.395 6.638 -1.485 135 2HG PRO 20 2HG PRO 20 -1.256 8.251 -0.762 136 1HD PRO 20 1HD PRO 20 0.898 6.839 -1.598 137 2HD PRO 20 2HD PRO 20 0.964 7.953 -0.217 138 H TRP 21 H TRP 21 -2.572 4.307 1.838 139 HA TRP 21 HA TRP 21 -2.255 2.092 -0.080 140 1HB TRP 21 1HB TRP 21 -3.025 2.003 2.835 141 2HB TRP 21 2HB TRP 21 -3.359 0.671 1.731 142 HD1 TRP 21 HD1 TRP 21 -0.195 2.773 2.596 143 HE1 TRP 21 HE1 TRP 21 1.787 1.146 2.816 144 HE3 TRP 21 HE3 TRP 21 -2.625 -1.609 1.581 145 HZ2 TRP 21 HZ2 TRP 21 2.258 -1.628 2.589 146 HZ3 TRP 21 HZ3 TRP 21 -1.337 -3.705 1.602 147 HH2 TRP 21 HH2 TRP 21 1.055 -3.712 2.096 148 H THR 22 H THR 22 -3.865 2.051 -1.488 149 HA THR 22 HA THR 22 -6.204 3.577 -1.300 150 HB THR 22 HB THR 22 -6.811 2.721 -3.344 151 HG1 THR 22 HG1 THR 22 -5.477 0.261 -3.034 152 1HG2 THR 22 1HG2 THR 22 -4.194 3.264 -3.080 153 2HG2 THR 22 2HG2 THR 22 -4.930 2.804 -4.615 154 3HG2 THR 22 3HG2 THR 22 -4.090 1.597 -3.643 155 H GLN 23 H GLN 23 -8.452 2.529 -1.548 156 HA GLN 23 HA GLN 23 -9.102 1.264 0.879 157 1HB GLN 23 1HB GLN 23 -11.366 1.010 -0.105 158 2HB GLN 23 2HB GLN 23 -10.725 2.641 -0.259 159 1HG GLN 23 1HG GLN 23 -10.221 2.299 -2.568 160 2HG GLN 23 2HG GLN 23 -10.621 0.586 -2.452 161 1HE2 GLN 23 1HE2 GLN 23 -12.517 0.079 -3.253 162 2HE2 GLN 23 2HE2 GLN 23 -13.909 1.100 -3.318 163 H ASN 24 H ASN 24 -8.812 0.008 -2.423 164 HA ASN 24 HA ASN 24 -9.618 -2.633 -1.811 165 1HB ASN 24 1HB ASN 24 -9.424 -1.482 -4.115 166 2HB ASN 24 2HB ASN 24 -7.724 -1.936 -4.044 167 1HD2 ASN 24 1HD2 ASN 24 -10.313 -2.794 -5.546 168 2HD2 ASN 24 2HD2 ASN 24 -10.190 -4.517 -5.545 169 H GLN 25 H GLN 25 -6.403 -1.155 -2.168 170 HA GLN 25 HA GLN 25 -4.864 -3.425 -1.711 171 1HB GLN 25 1HB GLN 25 -4.423 -0.496 -1.400 172 2HB GLN 25 2HB GLN 25 -3.250 -1.584 -0.669 173 1HG GLN 25 1HG GLN 25 -2.553 -0.891 -2.890 174 2HG GLN 25 2HG GLN 25 -2.847 -2.628 -2.825 175 1HE2 GLN 25 1HE2 GLN 25 -3.301 0.066 -4.625 176 2HE2 GLN 25 2HE2 GLN 25 -4.666 -0.429 -5.561 177 H GLN 26 H GLN 26 -5.635 -0.894 0.686 178 HA GLN 26 HA GLN 26 -4.641 -2.115 2.932 179 1HB GLN 26 1HB GLN 26 -5.573 0.187 2.835 180 2HB GLN 26 2HB GLN 26 -7.192 -0.500 2.805 181 1HG GLN 26 1HG GLN 26 -6.602 0.270 5.030 182 2HG GLN 26 2HG GLN 26 -6.838 -1.477 5.002 183 1HE2 GLN 26 1HE2 GLN 26 -4.941 -2.824 4.973 184 2HE2 GLN 26 2HE2 GLN 26 -3.480 -2.264 5.705 185 H LYS 27 H LYS 27 -7.466 -2.946 1.122 186 HA LYS 27 HA LYS 27 -8.638 -4.562 3.207 187 1HB LYS 27 1HB LYS 27 -10.194 -3.588 1.711 188 2HB LYS 27 2HB LYS 27 -9.286 -4.114 0.300 189 1HG LYS 27 1HG LYS 27 -9.928 -6.384 0.640 190 2HG LYS 27 2HG LYS 27 -10.641 -6.003 2.209 191 1HD LYS 27 1HD LYS 27 -12.060 -4.319 0.722 192 2HD LYS 27 2HD LYS 27 -11.680 -5.504 -0.529 193 1HE LYS 27 1HE LYS 27 -13.597 -6.434 0.271 194 2HE LYS 27 2HE LYS 27 -12.446 -7.189 1.372 195 1HZ LYS 27 1HZ LYS 27 -13.699 -4.620 2.081 196 2HZ LYS 27 2HZ LYS 27 -13.060 -5.811 3.097 197 3HZ LYS 27 3HZ LYS 27 -14.542 -6.066 2.323 198 H LEU 28 H LEU 28 -7.232 -5.262 0.003 199 HA LEU 28 HA LEU 28 -7.238 -8.008 0.105 200 1HB LEU 28 1HB LEU 28 -5.158 -6.177 -1.078 201 2HB LEU 28 2HB LEU 28 -5.251 -7.908 -1.394 202 HG LEU 28 HG LEU 28 -7.408 -5.919 -2.095 203 1HD1 LEU 28 1HD1 LEU 28 -6.470 -5.581 -4.101 204 2HD1 LEU 28 2HD1 LEU 28 -5.920 -7.250 -4.238 205 3HD1 LEU 28 3HD1 LEU 28 -4.980 -6.086 -3.304 206 1HD2 LEU 28 1HD2 LEU 28 -7.076 -8.869 -2.452 207 2HD2 LEU 28 2HD2 LEU 28 -8.017 -7.934 -3.615 208 3HD2 LEU 28 3HD2 LEU 28 -8.486 -7.956 -1.914 209 H LEU 29 H LEU 29 -5.013 -5.772 1.643 210 HA LEU 29 HA LEU 29 -3.085 -7.694 2.430 211 1HB LEU 29 1HB LEU 29 -2.523 -5.357 2.359 212 2HB LEU 29 2HB LEU 29 -3.772 -4.980 3.544 213 HG LEU 29 HG LEU 29 -2.493 -6.250 5.239 214 1HD1 LEU 29 1HD1 LEU 29 -1.103 -7.198 2.977 215 2HD1 LEU 29 2HD1 LEU 29 -0.835 -7.604 4.672 216 3HD1 LEU 29 3HD1 LEU 29 0.045 -6.264 3.938 217 1HD2 LEU 29 1HD2 LEU 29 -2.163 -3.935 5.317 218 2HD2 LEU 29 2HD2 LEU 29 -1.224 -3.927 3.823 219 3HD2 LEU 29 3HD2 LEU 29 -0.532 -4.609 5.296 220 H GLU 30 H GLU 30 -5.632 -6.050 4.315 221 HA GLU 30 HA GLU 30 -5.332 -7.412 6.695 222 1HB GLU 30 1HB GLU 30 -7.882 -6.408 5.419 223 2HB GLU 30 2HB GLU 30 -7.736 -6.900 7.100 224 1HG GLU 30 1HG GLU 30 -6.268 -5.107 7.591 225 2HG GLU 30 2HG GLU 30 -6.075 -4.713 5.884 226 H LEU 31 H LEU 31 -7.504 -8.265 4.003 227 HA LEU 31 HA LEU 31 -8.574 -10.590 5.068 228 1HB LEU 31 1HB LEU 31 -8.089 -9.609 2.296 229 2HB LEU 31 2HB LEU 31 -8.617 -11.274 2.530 230 HG LEU 31 HG LEU 31 -10.433 -9.619 2.008 231 1HD1 LEU 31 1HD1 LEU 31 -10.371 -11.503 4.282 232 2HD1 LEU 31 2HD1 LEU 31 -11.390 -11.488 2.843 233 3HD1 LEU 31 3HD1 LEU 31 -11.756 -10.414 4.193 234 1HD2 LEU 31 1HD2 LEU 31 -9.494 -7.785 3.397 235 2HD2 LEU 31 2HD2 LEU 31 -9.944 -8.698 4.838 236 3HD2 LEU 31 3HD2 LEU 31 -11.192 -8.127 3.730 237 H ALA 32 H ALA 32 -5.558 -10.115 3.293 238 HA ALA 32 HA ALA 32 -4.876 -12.857 3.088 239 1HB ALA 32 1HB ALA 32 -2.519 -11.882 2.771 240 2HB ALA 32 2HB ALA 32 -3.761 -11.464 1.591 241 3HB ALA 32 3HB ALA 32 -3.316 -10.310 2.847 242 H LEU 33 H LEU 33 -4.225 -10.375 5.504 243 HA LEU 33 HA LEU 33 -2.289 -11.655 7.020 244 1HB LEU 33 1HB LEU 33 -4.385 -9.630 7.564 245 2HB LEU 33 2HB LEU 33 -3.632 -10.405 8.957 246 HG LEU 33 HG LEU 33 -2.649 -8.194 8.244 247 1HD1 LEU 33 1HD1 LEU 33 -0.355 -9.937 8.004 248 2HD1 LEU 33 2HD1 LEU 33 -1.464 -10.486 9.260 249 3HD1 LEU 33 3HD1 LEU 33 -0.814 -8.848 9.312 250 1HD2 LEU 33 1HD2 LEU 33 -2.488 -8.108 5.973 251 2HD2 LEU 33 2HD2 LEU 33 -2.113 -9.825 5.821 252 3HD2 LEU 33 3HD2 LEU 33 -0.867 -8.693 6.349 253 H GLN 34 H GLN 34 -5.606 -12.441 6.614 254 HA GLN 34 HA GLN 34 -5.804 -13.998 9.042 255 1HB GLN 34 1HB GLN 34 -7.683 -13.880 6.678 256 2HB GLN 34 2HB GLN 34 -8.034 -14.584 8.250 257 1HG GLN 34 1HG GLN 34 -7.407 -12.144 9.066 258 2HG GLN 34 2HG GLN 34 -7.909 -11.743 7.425 259 1HE2 GLN 34 1HE2 GLN 34 -10.046 -12.572 6.759 260 2HE2 GLN 34 2HE2 GLN 34 -11.308 -12.607 7.938 261 H GLN 35 H GLN 35 -5.719 -14.674 5.550 262 HA GLN 35 HA GLN 35 -5.704 -17.487 5.821 263 1HB GLN 35 1HB GLN 35 -5.056 -15.576 3.611 264 2HB GLN 35 2HB GLN 35 -4.639 -17.275 3.429 265 1HG GLN 35 1HG GLN 35 -7.038 -17.811 3.946 266 2HG GLN 35 2HG GLN 35 -7.368 -16.083 3.823 267 1HE2 GLN 35 1HE2 GLN 35 -5.983 -15.250 1.726 268 2HE2 GLN 35 2HE2 GLN 35 -6.459 -16.071 0.282 269 H TYR 36 H TYR 36 -3.149 -15.074 5.656 270 HA TYR 36 HA TYR 36 -1.230 -17.156 6.443 271 1HB TYR 36 1HB TYR 36 -0.297 -14.935 4.678 272 2HB TYR 36 2HB TYR 36 0.339 -16.567 4.857 273 HD1 TYR 36 HD1 TYR 36 -2.482 -14.623 3.426 274 HD2 TYR 36 HD2 TYR 36 -0.293 -18.271 3.366 275 HE1 TYR 36 HE1 TYR 36 -3.689 -15.307 1.394 276 HE2 TYR 36 HE2 TYR 36 -1.493 -18.965 1.334 277 HH TYR 36 HH TYR 36 -2.886 -18.310 -0.296 278 HA PRO 37 HA PRO 37 -1.056 -13.749 9.497 279 1HB PRO 37 1HB PRO 37 -0.424 -15.376 11.577 280 2HB PRO 37 2HB PRO 37 -2.086 -15.112 11.035 281 1HG PRO 37 1HG PRO 37 -0.241 -17.394 10.443 282 2HG PRO 37 2HG PRO 37 -1.965 -17.427 10.856 283 1HD PRO 37 1HD PRO 37 -1.072 -17.673 8.312 284 2HD PRO 37 2HD PRO 37 -2.619 -16.897 8.710 285 H ARG 38 H ARG 38 0.751 -13.473 11.279 286 HA ARG 38 HA ARG 38 3.128 -12.890 10.103 287 1HB ARG 38 1HB ARG 38 2.428 -13.601 12.927 288 2HB ARG 38 2HB ARG 38 4.109 -13.319 12.495 289 1HG ARG 38 1HG ARG 38 3.742 -11.085 12.002 290 2HG ARG 38 2HG ARG 38 2.005 -11.316 11.791 291 1HD ARG 38 1HD ARG 38 2.085 -10.279 13.846 292 2HD ARG 38 2HD ARG 38 2.072 -11.980 14.309 293 HE ARG 38 HE ARG 38 4.724 -11.303 14.096 294 1HH1 ARG 38 1HH1 ARG 38 1.990 -10.193 15.943 295 2HH1 ARG 38 2HH1 ARG 38 2.944 -9.691 17.299 296 1HH2 ARG 38 1HH2 ARG 38 5.991 -10.646 15.876 297 2HH2 ARG 38 2HH2 ARG 38 5.220 -9.948 17.260 298 H GLY 39 H GLY 39 2.949 -15.669 12.325 299 1HA GLY 39 1HA GLY 39 3.952 -17.733 12.250 300 2HA GLY 39 2HA GLY 39 3.914 -17.585 10.499 301 H SER 40 H SER 40 5.879 -18.083 9.780 302 HA SER 40 HA SER 40 8.234 -17.251 11.287 303 1HB SER 40 1HB SER 40 7.690 -19.241 9.132 304 2HB SER 40 2HB SER 40 9.320 -18.577 9.249 305 HG SER 40 HG SER 40 8.101 -19.468 11.597 306 H SER 41 H SER 41 6.967 -15.072 10.304 307 HA SER 41 HA SER 41 7.075 -13.297 8.845 308 1HB SER 41 1HB SER 41 9.896 -14.028 9.550 309 2HB SER 41 2HB SER 41 9.597 -12.702 8.427 310 HG SER 41 HG SER 41 8.121 -12.728 10.786 311 H ASP 42 H ASP 42 6.910 -15.989 7.576 312 HA ASP 42 HA ASP 42 8.204 -15.370 5.004 313 1HB ASP 42 1HB ASP 42 7.417 -17.986 6.273 314 2HB ASP 42 2HB ASP 42 7.732 -17.855 4.545 315 H CYS 43 H CYS 43 5.193 -16.149 6.597 316 HA CYS 43 HA CYS 43 3.559 -16.708 4.433 317 1HB CYS 43 1HB CYS 43 3.029 -15.373 7.076 318 2HB CYS 43 2HB CYS 43 1.740 -15.592 5.898 319 HG CYS 43 HG CYS 43 1.424 -18.186 6.163 320 H TRP 44 H TRP 44 4.619 -13.590 5.690 321 HA TRP 44 HA TRP 44 3.016 -11.798 4.447 322 1HB TRP 44 1HB TRP 44 6.033 -11.673 4.638 323 2HB TRP 44 2HB TRP 44 4.995 -10.300 4.264 324 HD1 TRP 44 HD1 TRP 44 6.514 -12.102 7.129 325 HE1 TRP 44 HE1 TRP 44 5.593 -11.185 9.351 326 HE3 TRP 44 HE3 TRP 44 2.605 -9.350 5.315 327 HZ2 TRP 44 HZ2 TRP 44 3.489 -9.517 10.220 328 HZ3 TRP 44 HZ3 TRP 44 1.187 -8.124 6.908 329 HH2 TRP 44 HH2 TRP 44 1.620 -8.207 9.310 330 H ASP 45 H ASP 45 5.676 -13.581 2.935 331 HA ASP 45 HA ASP 45 5.873 -12.429 0.485 332 1HB ASP 45 1HB ASP 45 6.905 -14.652 1.502 333 2HB ASP 45 2HB ASP 45 5.647 -15.404 0.525 334 H LYS 46 H LYS 46 3.499 -14.949 1.332 335 HA LYS 46 HA LYS 46 2.138 -14.892 -1.135 336 1HB LYS 46 1HB LYS 46 1.554 -15.949 1.591 337 2HB LYS 46 2HB LYS 46 0.218 -15.814 0.455 338 1HG LYS 46 1HG LYS 46 1.051 -17.429 -0.935 339 2HG LYS 46 2HG LYS 46 2.722 -17.147 -0.441 340 1HD LYS 46 1HD LYS 46 2.511 -18.423 1.472 341 2HD LYS 46 2HD LYS 46 0.759 -18.215 1.542 342 1HE LYS 46 1HE LYS 46 0.841 -20.368 0.803 343 2HE LYS 46 2HE LYS 46 0.886 -19.537 -0.751 344 1HZ LYS 46 1HZ LYS 46 2.566 -21.305 -0.541 345 2HZ LYS 46 2HZ LYS 46 3.289 -20.457 0.732 346 3HZ LYS 46 3HZ LYS 46 3.256 -19.786 -0.821 347 H ILE 47 H ILE 47 1.478 -13.275 1.957 348 HA ILE 47 HA ILE 47 -0.924 -12.072 1.429 349 HB ILE 47 HB ILE 47 1.421 -10.820 2.864 350 1HG1 ILE 47 1HG1 ILE 47 -0.944 -12.219 4.101 351 2HG1 ILE 47 2HG1 ILE 47 0.510 -13.097 3.639 352 1HG2 ILE 47 1HG2 ILE 47 -1.363 -10.136 3.581 353 2HG2 ILE 47 2HG2 ILE 47 0.089 -9.137 3.583 354 3HG2 ILE 47 3HG2 ILE 47 -0.748 -9.471 2.068 355 1HD1 ILE 47 1HD1 ILE 47 1.490 -12.518 5.531 356 2HD1 ILE 47 2HD1 ILE 47 1.242 -10.808 5.175 357 3HD1 ILE 47 3HD1 ILE 47 -0.002 -11.720 6.029 358 H ALA 48 H ALA 48 2.289 -10.970 0.432 359 HA ALA 48 HA ALA 48 1.553 -8.513 -0.679 360 1HB ALA 48 1HB ALA 48 3.694 -9.982 -2.069 361 2HB ALA 48 2HB ALA 48 3.699 -8.370 -1.352 362 3HB ALA 48 3HB ALA 48 3.900 -9.791 -0.327 363 H ARG 49 H ARG 49 1.401 -11.770 -1.977 364 HA ARG 49 HA ARG 49 1.060 -11.243 -4.676 365 1HB ARG 49 1HB ARG 49 -0.329 -13.387 -3.059 366 2HB ARG 49 2HB ARG 49 -0.105 -13.389 -4.803 367 1HG ARG 49 1HG ARG 49 2.333 -13.462 -4.463 368 2HG ARG 49 2HG ARG 49 2.064 -13.542 -2.721 369 1HD ARG 49 1HD ARG 49 1.006 -15.656 -2.892 370 2HD ARG 49 2HD ARG 49 0.889 -15.531 -4.647 371 HE ARG 49 HE ARG 49 3.584 -15.498 -3.619 372 1HH1 ARG 49 1HH1 ARG 49 0.950 -17.465 -4.765 373 2HH1 ARG 49 2HH1 ARG 49 1.966 -18.798 -5.207 374 1HH2 ARG 49 1HH2 ARG 49 4.932 -17.246 -4.196 375 2HH2 ARG 49 2HH2 ARG 49 4.230 -18.672 -4.882 376 H CYS 50 H CYS 50 -1.422 -11.430 -2.135 377 HA CYS 50 HA CYS 50 -3.616 -10.875 -3.810 378 1HB CYS 50 1HB CYS 50 -3.457 -11.721 -1.303 379 2HB CYS 50 2HB CYS 50 -3.648 -10.007 -0.954 380 HG CYS 50 HG CYS 50 -6.042 -11.874 -1.035 381 H VAL 51 H VAL 51 -1.078 -8.906 -2.824 382 HA VAL 51 HA VAL 51 -2.658 -6.466 -3.318 383 HB VAL 51 HB VAL 51 0.029 -6.466 -1.974 384 1HG1 VAL 51 1HG1 VAL 51 -2.207 -4.569 -1.427 385 2HG1 VAL 51 2HG1 VAL 51 -0.463 -4.306 -1.358 386 3HG1 VAL 51 3HG1 VAL 51 -1.281 -4.404 -2.918 387 1HG2 VAL 51 1HG2 VAL 51 -2.610 -6.641 -0.530 388 2HG2 VAL 51 2HG2 VAL 51 -1.527 -8.012 -0.767 389 3HG2 VAL 51 3HG2 VAL 51 -0.996 -6.622 0.180 390 HA PRO 52 HA PRO 52 0.022 -6.843 -7.018 391 1HB PRO 52 1HB PRO 52 -1.740 -5.606 -8.672 392 2HB PRO 52 2HB PRO 52 -1.832 -7.329 -8.285 393 1HG PRO 52 1HG PRO 52 -3.382 -5.043 -7.130 394 2HG PRO 52 2HG PRO 52 -3.953 -6.650 -7.616 395 1HD PRO 52 1HD PRO 52 -3.464 -5.998 -5.034 396 2HD PRO 52 2HD PRO 52 -3.221 -7.639 -5.668 397 H SER 53 H SER 53 -0.855 -4.419 -4.977 398 HA SER 53 HA SER 53 0.320 -2.298 -6.641 399 1HB SER 53 1HB SER 53 -1.673 -1.399 -5.899 400 2HB SER 53 2HB SER 53 -1.634 -2.295 -4.380 401 HG SER 53 HG SER 53 0.319 -0.343 -4.870 402 H LYS 54 H LYS 54 0.394 -3.610 -3.336 403 HA LYS 54 HA LYS 54 3.052 -2.404 -2.980 404 1HB LYS 54 1HB LYS 54 1.317 -3.584 -0.814 405 2HB LYS 54 2HB LYS 54 2.705 -2.521 -0.626 406 1HG LYS 54 1HG LYS 54 0.242 -1.618 -2.070 407 2HG LYS 54 2HG LYS 54 0.366 -1.533 -0.311 408 1HD LYS 54 1HD LYS 54 2.076 0.034 -0.381 409 2HD LYS 54 2HD LYS 54 2.532 -0.390 -2.032 410 1HE LYS 54 1HE LYS 54 0.070 0.463 -2.527 411 2HE LYS 54 2HE LYS 54 0.357 1.379 -1.048 412 1HZ LYS 54 1HZ LYS 54 1.831 2.708 -2.060 413 2HZ LYS 54 2HZ LYS 54 1.078 2.201 -3.487 414 3HZ LYS 54 3HZ LYS 54 2.512 1.461 -2.979 415 H SER 55 H SER 55 4.775 -3.643 -2.178 416 HA SER 55 HA SER 55 4.640 -6.445 -2.931 417 1HB SER 55 1HB SER 55 6.916 -4.619 -2.156 418 2HB SER 55 2HB SER 55 7.136 -6.349 -2.417 419 HG SER 55 HG SER 55 5.879 -4.743 -4.362 420 H LYS 56 H LYS 56 6.080 -7.920 -1.442 421 HA LYS 56 HA LYS 56 4.675 -8.410 0.895 422 1HB LYS 56 1HB LYS 56 6.039 -10.120 -0.134 423 2HB LYS 56 2HB LYS 56 7.500 -9.185 0.155 424 1HG LYS 56 1HG LYS 56 5.823 -9.960 2.485 425 2HG LYS 56 2HG LYS 56 6.830 -11.187 1.712 426 1HD LYS 56 1HD LYS 56 8.635 -9.227 1.909 427 2HD LYS 56 2HD LYS 56 7.606 -8.792 3.276 428 1HE LYS 56 1HE LYS 56 9.042 -10.225 4.321 429 2HE LYS 56 2HE LYS 56 7.814 -11.375 3.795 430 1HZ LYS 56 1HZ LYS 56 9.239 -12.364 2.416 431 2HZ LYS 56 2HZ LYS 56 10.459 -11.564 3.272 432 3HZ LYS 56 3HZ LYS 56 9.862 -10.903 1.833 433 H GLU 57 H GLU 57 7.931 -6.974 0.622 434 HA GLU 57 HA GLU 57 8.444 -6.417 3.244 435 1HB GLU 57 1HB GLU 57 9.111 -4.905 0.736 436 2HB GLU 57 2HB GLU 57 9.625 -4.308 2.307 437 1HG GLU 57 1HG GLU 57 10.968 -6.208 2.700 438 2HG GLU 57 2HG GLU 57 10.257 -7.079 1.342 439 H ASP 58 H ASP 58 6.470 -4.507 1.015 440 HA ASP 58 HA ASP 58 5.965 -2.359 2.773 441 1HB ASP 58 1HB ASP 58 4.486 -3.414 0.365 442 2HB ASP 58 2HB ASP 58 3.945 -1.993 1.254 443 H CYS 59 H CYS 59 4.322 -5.427 2.223 444 HA CYS 59 HA CYS 59 1.988 -4.958 3.669 445 1HB CYS 59 1HB CYS 59 3.554 -7.502 3.224 446 2HB CYS 59 2HB CYS 59 1.977 -7.467 4.003 447 HG CYS 59 HG CYS 59 2.769 -7.075 0.748 448 H ILE 60 H ILE 60 5.062 -6.363 4.785 449 HA ILE 60 HA ILE 60 4.285 -6.679 7.474 450 HB ILE 60 HB ILE 60 7.035 -6.356 6.271 451 1HG1 ILE 60 1HG1 ILE 60 5.948 -8.906 7.387 452 2HG1 ILE 60 2HG1 ILE 60 5.391 -8.380 5.802 453 1HG2 ILE 60 1HG2 ILE 60 7.966 -7.094 8.335 454 2HG2 ILE 60 2HG2 ILE 60 6.897 -5.740 8.695 455 3HG2 ILE 60 3HG2 ILE 60 6.367 -7.390 9.018 456 1HD1 ILE 60 1HD1 ILE 60 8.112 -9.228 6.668 457 2HD1 ILE 60 2HD1 ILE 60 7.165 -9.733 5.268 458 3HD1 ILE 60 3HD1 ILE 60 7.925 -8.142 5.291 459 H ALA 61 H ALA 61 5.962 -4.050 5.792 460 HA ALA 61 HA ALA 61 6.488 -2.465 8.058 461 1HB ALA 61 1HB ALA 61 6.663 -0.593 6.388 462 2HB ALA 61 2HB ALA 61 7.675 -1.999 6.057 463 3HB ALA 61 3HB ALA 61 6.182 -1.753 5.150 464 H ARG 62 H ARG 62 3.594 -3.056 6.292 465 HA ARG 62 HA ARG 62 2.258 -0.661 7.228 466 1HB ARG 62 1HB ARG 62 1.763 -1.616 4.996 467 2HB ARG 62 2HB ARG 62 1.132 -3.061 5.775 468 1HG ARG 62 1HG ARG 62 -0.696 -1.657 5.123 469 2HG ARG 62 2HG ARG 62 -0.581 -1.666 6.884 470 1HD ARG 62 1HD ARG 62 0.565 0.482 6.834 471 2HD ARG 62 2HD ARG 62 0.511 0.484 5.072 472 HE ARG 62 HE ARG 62 -2.103 0.229 5.932 473 1HH1 ARG 62 1HH1 ARG 62 0.477 2.547 6.236 474 2HH1 ARG 62 2HH1 ARG 62 -0.587 3.909 6.361 475 1HH2 ARG 62 1HH2 ARG 62 -3.513 2.014 6.095 476 2HH2 ARG 62 2HH2 ARG 62 -2.856 3.605 6.282 477 H TYR 63 H TYR 63 2.259 -4.124 7.909 478 HA TYR 63 HA TYR 63 0.084 -4.316 9.599 479 1HB TYR 63 1HB TYR 63 1.356 -6.267 8.871 480 2HB TYR 63 2HB TYR 63 2.745 -5.741 9.815 481 HD1 TYR 63 HD1 TYR 63 -0.798 -6.825 10.135 482 HD2 TYR 63 HD2 TYR 63 2.979 -6.401 12.049 483 HE1 TYR 63 HE1 TYR 63 -1.642 -8.089 12.069 484 HE2 TYR 63 HE2 TYR 63 2.145 -7.665 13.987 485 HH TYR 63 HH TYR 63 -1.147 -8.994 14.036 486 H LYS 64 H LYS 64 3.371 -3.247 10.334 487 HA LYS 64 HA LYS 64 3.336 -3.108 13.065 488 1HB LYS 64 1HB LYS 64 4.522 -1.200 11.053 489 2HB LYS 64 2HB LYS 64 4.804 -1.046 12.783 490 1HG LYS 64 1HG LYS 64 6.150 -2.879 12.871 491 2HG LYS 64 2HG LYS 64 5.341 -3.677 11.520 492 1HD LYS 64 1HD LYS 64 6.368 -1.987 10.000 493 2HD LYS 64 2HD LYS 64 7.280 -1.369 11.380 494 1HE LYS 64 1HE LYS 64 8.100 -3.783 11.665 495 2HE LYS 64 2HE LYS 64 7.487 -4.045 10.033 496 1HZ LYS 64 1HZ LYS 64 9.630 -3.448 9.597 497 2HZ LYS 64 2HZ LYS 64 9.750 -2.411 10.927 498 3HZ LYS 64 3HZ LYS 64 8.904 -1.921 9.546 499 H LEU 65 H LEU 65 1.915 -0.804 10.788 500 HA LEU 65 HA LEU 65 1.014 0.968 12.863 501 1HB LEU 65 1HB LEU 65 0.152 0.851 9.978 502 2HB LEU 65 2HB LEU 65 -0.066 2.199 11.093 503 HG LEU 65 HG LEU 65 2.583 2.078 11.171 504 1HD1 LEU 65 1HD1 LEU 65 3.130 0.326 9.787 505 2HD1 LEU 65 2HD1 LEU 65 3.222 1.688 8.671 506 3HD1 LEU 65 3HD1 LEU 65 1.800 0.646 8.674 507 1HD2 LEU 65 1HD2 LEU 65 2.597 3.957 9.832 508 2HD2 LEU 65 2HD2 LEU 65 0.909 3.887 10.338 509 3HD2 LEU 65 3HD2 LEU 65 1.374 3.316 8.735 510 H LEU 66 H LEU 66 -0.402 -1.582 10.887 511 HA LEU 66 HA LEU 66 -3.091 -1.206 11.492 512 1HB LEU 66 1HB LEU 66 -1.421 -3.513 10.665 513 2HB LEU 66 2HB LEU 66 -3.032 -3.859 11.290 514 HG LEU 66 HG LEU 66 -2.732 -1.848 9.108 515 1HD1 LEU 66 1HD1 LEU 66 -1.380 -3.730 8.354 516 2HD1 LEU 66 2HD1 LEU 66 -2.877 -3.614 7.430 517 3HD1 LEU 66 3HD1 LEU 66 -2.713 -4.834 8.692 518 1HD2 LEU 66 1HD2 LEU 66 -4.941 -2.368 8.638 519 2HD2 LEU 66 2HD2 LEU 66 -4.881 -2.497 10.396 520 3HD2 LEU 66 3HD2 LEU 66 -4.837 -3.954 9.403 521 H VAL 67 H VAL 67 -0.579 -2.929 13.282 522 HA VAL 67 HA VAL 67 -2.430 -3.763 15.344 523 HB VAL 67 HB VAL 67 -0.455 -4.700 16.465 524 1HG1 VAL 67 1HG1 VAL 67 -1.672 -5.642 14.252 525 2HG1 VAL 67 2HG1 VAL 67 0.001 -5.589 13.694 526 3HG1 VAL 67 3HG1 VAL 67 -0.421 -6.519 15.132 527 1HG2 VAL 67 1HG2 VAL 67 1.743 -4.559 15.502 528 2HG2 VAL 67 2HG2 VAL 67 1.130 -3.637 14.130 529 3HG2 VAL 67 3HG2 VAL 67 1.127 -2.924 15.743 530 H SER 68 H SER 68 -0.115 -1.211 14.798 531 HA SER 68 HA SER 68 -0.158 -0.333 17.559 532 1HB SER 68 1HB SER 68 1.837 -0.154 15.933 533 2HB SER 68 2HB SER 68 0.984 1.229 15.249 534 HG SER 68 HG SER 68 0.896 1.776 17.706 535 H GLY 69 H GLY 69 -2.717 -0.413 16.452 536 1HA GLY 69 1HA GLY 69 -4.205 1.506 17.237 537 2HA GLY 69 2HA GLY 69 -3.355 2.433 16.010 538 HA PRO 70 HA PRO 70 -5.998 -0.854 13.633 539 1HB PRO 70 1HB PRO 70 -7.797 -2.252 15.110 540 2HB PRO 70 2HB PRO 70 -6.144 -2.811 14.828 541 1HG PRO 70 1HG PRO 70 -7.293 -1.420 17.217 542 2HG PRO 70 2HG PRO 70 -6.177 -2.797 17.154 543 1HD PRO 70 1HD PRO 70 -5.342 -0.267 17.636 544 2HD PRO 70 2HD PRO 70 -4.342 -1.454 16.775 545 H SER 71 H SER 71 -7.099 0.802 12.691 546 HA SER 71 HA SER 71 -8.935 2.504 13.934 547 1HB SER 71 1HB SER 71 -8.723 1.696 11.025 548 2HB SER 71 2HB SER 71 -9.695 3.041 11.622 549 HG SER 71 HG SER 71 -7.953 4.194 11.616 550 H SER 72 H SER 72 -10.337 1.257 15.205 551 HA SER 72 HA SER 72 -11.823 -0.934 14.516 552 1HB SER 72 1HB SER 72 -12.778 1.405 16.185 553 2HB SER 72 2HB SER 72 -13.458 -0.221 16.205 554 HG SER 72 HG SER 72 -11.041 -0.723 16.669 555 H GLY 73 H GLY 73 -12.938 -1.234 12.698 556 1HA GLY 73 1HA GLY 73 -14.741 -0.998 11.258 557 2HA GLY 73 2HA GLY 73 -15.196 0.465 12.119 Start of MODEL 4 1 1H GLY 1 1H GLY 1 11.950 14.987 10.124 2 1HA GLY 1 1HA GLY 1 9.892 16.776 11.240 3 2HA GLY 1 2HA GLY 1 11.530 17.363 11.000 4 H SER 2 H SER 2 10.219 18.960 9.702 5 HA SER 2 HA SER 2 9.985 17.973 6.937 6 1HB SER 2 1HB SER 2 7.741 18.379 7.796 7 2HB SER 2 2HB SER 2 8.205 20.000 8.314 8 HG SER 2 HG SER 2 7.986 20.690 6.334 9 H SER 3 H SER 3 11.610 18.812 5.819 10 HA SER 3 HA SER 3 13.302 20.838 6.468 11 1HB SER 3 1HB SER 3 13.583 19.320 4.519 12 2HB SER 3 2HB SER 3 12.354 20.243 3.654 13 HG SER 3 HG SER 3 14.981 20.921 4.289 14 H GLY 4 H GLY 4 10.282 21.171 4.620 15 1HA GLY 4 1HA GLY 4 9.681 23.712 5.684 16 2HA GLY 4 2HA GLY 4 10.447 23.918 4.116 17 H SER 5 H SER 5 9.123 24.018 2.438 18 HA SER 5 HA SER 5 6.710 22.389 2.376 19 1HB SER 5 1HB SER 5 5.236 24.264 1.886 20 2HB SER 5 2HB SER 5 6.025 24.528 3.441 21 HG SER 5 HG SER 5 7.089 26.178 2.635 22 H SER 6 H SER 6 5.726 22.298 0.253 23 HA SER 6 HA SER 6 7.206 23.421 -1.974 24 1HB SER 6 1HB SER 6 8.255 21.151 -1.205 25 2HB SER 6 2HB SER 6 6.848 20.441 -1.996 26 HG SER 6 HG SER 6 7.874 20.718 -3.795 27 H GLY 7 H GLY 7 6.185 22.682 -4.104 28 1HA GLY 7 1HA GLY 7 3.329 23.059 -3.850 29 2HA GLY 7 2HA GLY 7 4.248 23.002 -5.347 30 H SER 8 H SER 8 4.649 21.007 -6.342 31 HA SER 8 HA SER 8 3.669 18.565 -5.177 32 1HB SER 8 1HB SER 8 2.130 19.995 -7.321 33 2HB SER 8 2HB SER 8 2.124 18.233 -7.262 34 HG SER 8 HG SER 8 1.630 18.800 -4.856 35 H LEU 9 H LEU 9 5.089 17.080 -5.772 36 HA LEU 9 HA LEU 9 6.452 17.383 -8.362 37 1HB LEU 9 1HB LEU 9 7.309 16.395 -5.700 38 2HB LEU 9 2HB LEU 9 8.008 15.619 -7.120 39 HG LEU 9 HG LEU 9 9.440 17.398 -6.209 40 1HD1 LEU 9 1HD1 LEU 9 10.061 18.273 -8.263 41 2HD1 LEU 9 2HD1 LEU 9 8.398 18.365 -8.843 42 3HD1 LEU 9 3HD1 LEU 9 9.200 16.800 -8.709 43 1HD2 LEU 9 1HD2 LEU 9 8.482 19.779 -6.872 44 2HD2 LEU 9 2HD2 LEU 9 8.186 19.060 -5.289 45 3HD2 LEU 9 3HD2 LEU 9 6.948 18.975 -6.543 46 H ARG 10 H ARG 10 6.504 15.717 -9.807 47 HA ARG 10 HA ARG 10 5.252 13.178 -9.048 48 1HB ARG 10 1HB ARG 10 3.706 14.927 -10.276 49 2HB ARG 10 2HB ARG 10 4.568 14.368 -11.703 50 1HG ARG 10 1HG ARG 10 3.914 12.026 -11.033 51 2HG ARG 10 2HG ARG 10 2.844 12.764 -9.840 52 1HD ARG 10 1HD ARG 10 1.896 14.107 -11.805 53 2HD ARG 10 2HD ARG 10 2.727 12.942 -12.834 54 HE ARG 10 HE ARG 10 1.211 11.512 -10.984 55 1HH1 ARG 10 1HH1 ARG 10 0.721 13.697 -13.650 56 2HH1 ARG 10 2HH1 ARG 10 -0.817 13.028 -14.085 57 1HH2 ARG 10 1HH2 ARG 10 -0.813 10.623 -11.547 58 2HH2 ARG 10 2HH2 ARG 10 -1.689 11.280 -12.887 59 H LYS 11 H LYS 11 5.672 11.441 -10.609 60 HA LYS 11 HA LYS 11 7.080 10.164 -11.858 61 1HB LYS 11 1HB LYS 11 7.540 12.873 -13.077 62 2HB LYS 11 2HB LYS 11 8.446 11.470 -13.627 63 1HG LYS 11 1HG LYS 11 6.213 10.349 -14.019 64 2HG LYS 11 2HG LYS 11 5.483 11.936 -13.766 65 1HD LYS 11 1HD LYS 11 5.737 11.974 -16.040 66 2HD LYS 11 2HD LYS 11 7.285 12.665 -15.551 67 1HE LYS 11 1HE LYS 11 8.446 10.710 -16.014 68 2HE LYS 11 2HE LYS 11 6.999 9.709 -15.909 69 1HZ LYS 11 1HZ LYS 11 6.893 11.691 -17.994 70 2HZ LYS 11 2HZ LYS 11 6.531 10.039 -18.052 71 3HZ LYS 11 3HZ LYS 11 8.134 10.560 -18.204 72 H GLU 12 H GLU 12 8.006 10.478 -9.407 73 HA GLU 12 HA GLU 12 10.786 10.118 -9.655 74 1HB GLU 12 1HB GLU 12 11.130 12.422 -9.855 75 2HB GLU 12 2HB GLU 12 9.850 12.809 -8.714 76 1HG GLU 12 1HG GLU 12 11.282 11.782 -6.923 77 2HG GLU 12 2HG GLU 12 12.582 11.715 -8.112 78 H ARG 13 H ARG 13 11.652 9.167 -7.846 79 HA ARG 13 HA ARG 13 9.739 8.427 -5.785 80 1HB ARG 13 1HB ARG 13 11.156 6.650 -5.265 81 2HB ARG 13 2HB ARG 13 11.370 6.833 -7.001 82 1HG ARG 13 1HG ARG 13 13.544 6.665 -6.389 83 2HG ARG 13 2HG ARG 13 13.348 8.410 -6.211 84 1HD ARG 13 1HD ARG 13 14.465 7.569 -4.264 85 2HD ARG 13 2HD ARG 13 12.830 8.046 -3.808 86 HE ARG 13 HE ARG 13 12.551 5.420 -4.332 87 1HH1 ARG 13 1HH1 ARG 13 14.800 7.209 -2.368 88 2HH1 ARG 13 2HH1 ARG 13 15.025 5.925 -1.226 89 1HH2 ARG 13 1HH2 ARG 13 12.838 3.722 -2.836 90 2HH2 ARG 13 2HH2 ARG 13 13.909 3.942 -1.494 91 H ALA 14 H ALA 14 12.479 10.490 -6.210 92 HA ALA 14 HA ALA 14 13.526 10.757 -3.688 93 1HB ALA 14 1HB ALA 14 13.033 13.260 -5.210 94 2HB ALA 14 2HB ALA 14 14.501 12.685 -4.419 95 3HB ALA 14 3HB ALA 14 14.010 12.003 -5.969 96 H ARG 15 H ARG 15 10.579 12.236 -4.975 97 HA ARG 15 HA ARG 15 10.028 13.505 -2.411 98 1HB ARG 15 1HB ARG 15 9.599 14.823 -4.400 99 2HB ARG 15 2HB ARG 15 8.548 13.569 -5.045 100 1HG ARG 15 1HG ARG 15 7.025 15.074 -4.225 101 2HG ARG 15 2HG ARG 15 7.190 13.967 -2.860 102 1HD ARG 15 1HD ARG 15 7.251 16.264 -2.089 103 2HD ARG 15 2HD ARG 15 8.817 15.495 -1.838 104 HE ARG 15 HE ARG 15 8.193 17.616 -3.737 105 1HH1 ARG 15 1HH1 ARG 15 10.503 15.335 -2.479 106 2HH1 ARG 15 2HH1 ARG 15 11.873 16.151 -3.156 107 1HH2 ARG 15 1HH2 ARG 15 9.990 18.699 -4.633 108 2HH2 ARG 15 2HH2 ARG 15 11.580 18.065 -4.380 109 H SER 16 H SER 16 8.783 10.941 -4.483 110 HA SER 16 HA SER 16 6.725 10.297 -2.503 111 1HB SER 16 1HB SER 16 7.207 9.282 -5.312 112 2HB SER 16 2HB SER 16 5.933 8.676 -4.254 113 HG SER 16 HG SER 16 4.801 10.290 -4.952 114 H ALA 17 H ALA 17 8.313 9.560 -0.944 115 HA ALA 17 HA ALA 17 9.959 7.288 -1.512 116 1HB ALA 17 1HB ALA 17 9.163 8.378 1.183 117 2HB ALA 17 2HB ALA 17 10.538 7.334 0.819 118 3HB ALA 17 3HB ALA 17 10.503 8.990 0.213 119 H GLU 18 H GLU 18 7.025 7.750 0.463 120 HA GLU 18 HA GLU 18 6.395 4.911 0.018 121 1HB GLU 18 1HB GLU 18 6.259 6.456 2.604 122 2HB GLU 18 2HB GLU 18 5.378 4.956 2.354 123 1HG GLU 18 1HG GLU 18 7.297 4.248 3.414 124 2HG GLU 18 2HG GLU 18 7.675 3.977 1.714 125 H GLU 19 H GLU 19 4.641 4.875 -1.220 126 HA GLU 19 HA GLU 19 2.745 7.034 -1.251 127 1HB GLU 19 1HB GLU 19 2.960 4.407 -2.694 128 2HB GLU 19 2HB GLU 19 1.507 5.389 -2.816 129 1HG GLU 19 1HG GLU 19 2.720 7.195 -3.791 130 2HG GLU 19 2HG GLU 19 4.260 6.394 -3.483 131 HA PRO 20 HA PRO 20 -0.225 5.583 1.633 132 1HB PRO 20 1HB PRO 20 -2.552 6.325 0.448 133 2HB PRO 20 2HB PRO 20 -1.434 7.483 1.178 134 1HG PRO 20 1HG PRO 20 -1.775 6.734 -1.701 135 2HG PRO 20 2HG PRO 20 -1.554 8.339 -0.981 136 1HD PRO 20 1HD PRO 20 0.471 6.979 -2.157 137 2HD PRO 20 2HD PRO 20 0.728 8.076 -0.785 138 H TRP 21 H TRP 21 -2.414 4.352 1.707 139 HA TRP 21 HA TRP 21 -2.234 2.082 -0.165 140 1HB TRP 21 1HB TRP 21 -2.990 2.180 2.754 141 2HB TRP 21 2HB TRP 21 -3.357 0.794 1.732 142 HD1 TRP 21 HD1 TRP 21 -0.132 2.878 2.387 143 HE1 TRP 21 HE1 TRP 21 1.812 1.224 2.721 144 HE3 TRP 21 HE3 TRP 21 -2.691 -1.510 1.810 145 HZ2 TRP 21 HZ2 TRP 21 2.208 -1.571 2.737 146 HZ3 TRP 21 HZ3 TRP 21 -1.456 -3.630 1.999 147 HH2 TRP 21 HH2 TRP 21 0.943 -3.657 2.453 148 H THR 22 H THR 22 -3.835 2.068 -1.587 149 HA THR 22 HA THR 22 -6.149 3.625 -1.452 150 HB THR 22 HB THR 22 -6.907 2.520 -3.396 151 HG1 THR 22 HG1 THR 22 -5.284 0.346 -2.533 152 1HG2 THR 22 1HG2 THR 22 -4.072 1.908 -3.905 153 2HG2 THR 22 2HG2 THR 22 -4.390 3.525 -3.276 154 3HG2 THR 22 3HG2 THR 22 -5.171 2.987 -4.763 155 H GLN 23 H GLN 23 -8.418 2.657 -1.608 156 HA GLN 23 HA GLN 23 -9.066 1.470 0.857 157 1HB GLN 23 1HB GLN 23 -11.356 1.240 -0.119 158 2HB GLN 23 2HB GLN 23 -10.680 2.859 -0.246 159 1HG GLN 23 1HG GLN 23 -10.267 2.619 -2.549 160 2HG GLN 23 2HG GLN 23 -10.523 0.875 -2.490 161 1HE2 GLN 23 1HE2 GLN 23 -12.180 0.656 -3.874 162 2HE2 GLN 23 2HE2 GLN 23 -13.727 1.399 -3.680 163 H ASN 24 H ASN 24 -8.747 0.128 -2.394 164 HA ASN 24 HA ASN 24 -9.686 -2.467 -1.741 165 1HB ASN 24 1HB ASN 24 -9.292 -1.279 -4.070 166 2HB ASN 24 2HB ASN 24 -7.713 -2.048 -3.947 167 1HD2 ASN 24 1HD2 ASN 24 -11.008 -3.051 -3.094 168 2HD2 ASN 24 2HD2 ASN 24 -10.975 -4.523 -3.997 169 H GLN 25 H GLN 25 -6.429 -1.081 -2.020 170 HA GLN 25 HA GLN 25 -4.967 -3.401 -1.516 171 1HB GLN 25 1HB GLN 25 -4.369 -0.498 -0.968 172 2HB GLN 25 2HB GLN 25 -3.202 -1.775 -0.648 173 1HG GLN 25 1HG GLN 25 -2.998 -2.312 -2.918 174 2HG GLN 25 2HG GLN 25 -4.459 -1.424 -3.345 175 1HE2 GLN 25 1HE2 GLN 25 -3.185 -0.357 -4.944 176 2HE2 GLN 25 2HE2 GLN 25 -2.159 0.962 -4.505 177 H GLN 26 H GLN 26 -5.713 -0.812 0.827 178 HA GLN 26 HA GLN 26 -4.793 -1.951 3.119 179 1HB GLN 26 1HB GLN 26 -5.856 0.307 2.900 180 2HB GLN 26 2HB GLN 26 -7.426 -0.484 2.926 181 1HG GLN 26 1HG GLN 26 -6.771 0.456 5.105 182 2HG GLN 26 2HG GLN 26 -7.053 -1.283 5.154 183 1HE2 GLN 26 1HE2 GLN 26 -5.199 -2.682 5.169 184 2HE2 GLN 26 2HE2 GLN 26 -3.711 -2.131 5.851 185 H LYS 27 H LYS 27 -7.616 -2.868 1.304 186 HA LYS 27 HA LYS 27 -8.691 -4.549 3.389 187 1HB LYS 27 1HB LYS 27 -10.346 -3.661 1.989 188 2HB LYS 27 2HB LYS 27 -9.425 -3.997 0.529 189 1HG LYS 27 1HG LYS 27 -9.778 -6.436 0.979 190 2HG LYS 27 2HG LYS 27 -10.886 -5.966 2.270 191 1HD LYS 27 1HD LYS 27 -11.934 -4.501 0.321 192 2HD LYS 27 2HD LYS 27 -11.193 -5.752 -0.679 193 1HE LYS 27 1HE LYS 27 -12.887 -6.483 1.679 194 2HE LYS 27 2HE LYS 27 -13.631 -6.062 0.137 195 1HZ LYS 27 1HZ LYS 27 -11.470 -8.009 0.047 196 2HZ LYS 27 2HZ LYS 27 -12.915 -7.954 -0.829 197 3HZ LYS 27 3HZ LYS 27 -12.913 -8.527 0.762 198 H LEU 28 H LEU 28 -7.432 -5.202 0.112 199 HA LEU 28 HA LEU 28 -7.336 -7.913 0.123 200 1HB LEU 28 1HB LEU 28 -5.207 -6.047 -0.911 201 2HB LEU 28 2HB LEU 28 -5.347 -7.751 -1.339 202 HG LEU 28 HG LEU 28 -7.525 -5.752 -1.905 203 1HD1 LEU 28 1HD1 LEU 28 -6.613 -5.189 -3.920 204 2HD1 LEU 28 2HD1 LEU 28 -5.660 -6.668 -4.031 205 3HD1 LEU 28 3HD1 LEU 28 -5.142 -5.364 -2.963 206 1HD2 LEU 28 1HD2 LEU 28 -7.638 -7.693 -3.798 207 2HD2 LEU 28 2HD2 LEU 28 -8.573 -7.698 -2.302 208 3HD2 LEU 28 3HD2 LEU 28 -7.065 -8.608 -2.403 209 H LEU 29 H LEU 29 -5.062 -5.734 1.713 210 HA LEU 29 HA LEU 29 -3.204 -7.711 2.508 211 1HB LEU 29 1HB LEU 29 -2.585 -5.389 2.477 212 2HB LEU 29 2HB LEU 29 -3.840 -4.997 3.651 213 HG LEU 29 HG LEU 29 -2.590 -6.415 5.309 214 1HD1 LEU 29 1HD1 LEU 29 -0.036 -6.433 4.519 215 2HD1 LEU 29 2HD1 LEU 29 -0.819 -6.682 2.959 216 3HD1 LEU 29 3HD1 LEU 29 -1.125 -7.801 4.287 217 1HD2 LEU 29 1HD2 LEU 29 -0.775 -4.692 5.624 218 2HD2 LEU 29 2HD2 LEU 29 -2.419 -4.062 5.509 219 3HD2 LEU 29 3HD2 LEU 29 -1.332 -3.951 4.123 220 H GLU 30 H GLU 30 -5.572 -5.951 4.520 221 HA GLU 30 HA GLU 30 -5.374 -7.374 6.834 222 1HB GLU 30 1HB GLU 30 -7.917 -6.334 5.571 223 2HB GLU 30 2HB GLU 30 -7.750 -6.804 7.257 224 1HG GLU 30 1HG GLU 30 -6.290 -5.014 7.718 225 2HG GLU 30 2HG GLU 30 -6.050 -4.672 6.005 226 H LEU 31 H LEU 31 -7.690 -8.128 4.226 227 HA LEU 31 HA LEU 31 -8.764 -10.443 5.241 228 1HB LEU 31 1HB LEU 31 -8.252 -9.462 2.475 229 2HB LEU 31 2HB LEU 31 -8.815 -11.117 2.697 230 HG LEU 31 HG LEU 31 -10.635 -9.535 2.182 231 1HD1 LEU 31 1HD1 LEU 31 -10.938 -11.610 3.573 232 2HD1 LEU 31 2HD1 LEU 31 -12.162 -10.360 3.792 233 3HD1 LEU 31 3HD1 LEU 31 -10.890 -10.568 4.995 234 1HD2 LEU 31 1HD2 LEU 31 -11.329 -8.026 4.112 235 2HD2 LEU 31 2HD2 LEU 31 -9.950 -7.505 3.143 236 3HD2 LEU 31 3HD2 LEU 31 -9.689 -8.244 4.724 237 H ALA 32 H ALA 32 -5.865 -10.156 3.197 238 HA ALA 32 HA ALA 32 -5.227 -12.876 3.089 239 1HB ALA 32 1HB ALA 32 -3.347 -12.233 2.005 240 2HB ALA 32 2HB ALA 32 -4.207 -10.695 1.926 241 3HB ALA 32 3HB ALA 32 -2.980 -10.957 3.165 242 H LEU 33 H LEU 33 -4.108 -10.364 5.345 243 HA LEU 33 HA LEU 33 -2.299 -11.719 6.854 244 1HB LEU 33 1HB LEU 33 -4.304 -9.623 7.464 245 2HB LEU 33 2HB LEU 33 -3.527 -10.417 8.832 246 HG LEU 33 HG LEU 33 -2.516 -8.228 8.018 247 1HD1 LEU 33 1HD1 LEU 33 -1.121 -9.245 9.488 248 2HD1 LEU 33 2HD1 LEU 33 -0.135 -9.419 8.036 249 3HD1 LEU 33 3HD1 LEU 33 -1.116 -10.771 8.603 250 1HD2 LEU 33 1HD2 LEU 33 -1.879 -10.036 5.719 251 2HD2 LEU 33 2HD2 LEU 33 -0.792 -8.717 6.153 252 3HD2 LEU 33 3HD2 LEU 33 -2.463 -8.371 5.704 253 H GLN 34 H GLN 34 -5.732 -12.244 6.734 254 HA GLN 34 HA GLN 34 -5.912 -13.782 9.133 255 1HB GLN 34 1HB GLN 34 -7.804 -13.953 6.796 256 2HB GLN 34 2HB GLN 34 -8.148 -14.244 8.496 257 1HG GLN 34 1HG GLN 34 -7.210 -11.543 7.703 258 2HG GLN 34 2HG GLN 34 -8.858 -12.012 7.288 259 1HE2 GLN 34 1HE2 GLN 34 -9.726 -10.482 8.689 260 2HE2 GLN 34 2HE2 GLN 34 -9.701 -10.689 10.404 261 H GLN 35 H GLN 35 -5.486 -14.543 5.712 262 HA GLN 35 HA GLN 35 -5.561 -17.385 6.150 263 1HB GLN 35 1HB GLN 35 -5.162 -15.582 3.820 264 2HB GLN 35 2HB GLN 35 -4.508 -17.210 3.700 265 1HG GLN 35 1HG GLN 35 -6.891 -17.915 4.494 266 2HG GLN 35 2HG GLN 35 -7.341 -16.316 3.904 267 1HE2 GLN 35 1HE2 GLN 35 -5.512 -16.180 1.763 268 2HE2 GLN 35 2HE2 GLN 35 -6.019 -17.306 0.556 269 H TYR 36 H TYR 36 -3.084 -14.920 5.726 270 HA TYR 36 HA TYR 36 -1.068 -16.921 6.499 271 1HB TYR 36 1HB TYR 36 -0.322 -14.626 4.728 272 2HB TYR 36 2HB TYR 36 0.451 -16.198 4.902 273 HD1 TYR 36 HD1 TYR 36 -2.488 -14.462 3.465 274 HD2 TYR 36 HD2 TYR 36 -0.132 -18.004 3.489 275 HE1 TYR 36 HE1 TYR 36 -3.675 -15.257 1.464 276 HE2 TYR 36 HE2 TYR 36 -1.311 -18.809 1.487 277 HH TYR 36 HH TYR 36 -3.769 -18.288 0.466 278 HA PRO 37 HA PRO 37 -1.009 -13.486 9.560 279 1HB PRO 37 1HB PRO 37 -0.478 -15.103 11.675 280 2HB PRO 37 2HB PRO 37 -2.116 -14.810 11.077 281 1HG PRO 37 1HG PRO 37 -0.300 -17.135 10.568 282 2HG PRO 37 2HG PRO 37 -2.037 -17.130 10.926 283 1HD PRO 37 1HD PRO 37 -1.067 -17.420 8.414 284 2HD PRO 37 2HD PRO 37 -2.610 -16.610 8.755 285 H ARG 38 H ARG 38 0.739 -12.922 11.143 286 HA ARG 38 HA ARG 38 3.250 -12.940 9.897 287 1HB ARG 38 1HB ARG 38 3.980 -11.627 11.650 288 2HB ARG 38 2HB ARG 38 2.242 -11.369 11.733 289 1HG ARG 38 1HG ARG 38 3.738 -13.375 13.405 290 2HG ARG 38 2HG ARG 38 3.318 -11.745 13.934 291 1HD ARG 38 1HD ARG 38 0.993 -12.214 13.812 292 2HD ARG 38 2HD ARG 38 1.279 -13.733 12.965 293 HE ARG 38 HE ARG 38 1.494 -13.252 15.810 294 1HH1 ARG 38 1HH1 ARG 38 2.264 -15.350 13.140 295 2HH1 ARG 38 2HH1 ARG 38 2.501 -16.747 14.137 296 1HH2 ARG 38 1HH2 ARG 38 1.804 -15.085 17.133 297 2HH2 ARG 38 2HH2 ARG 38 2.239 -16.595 16.408 298 H GLY 39 H GLY 39 5.231 -13.532 11.544 299 1HA GLY 39 1HA GLY 39 5.477 -15.574 13.195 300 2HA GLY 39 2HA GLY 39 5.067 -16.446 11.725 301 H SER 40 H SER 40 7.019 -13.524 11.854 302 HA SER 40 HA SER 40 9.057 -13.153 10.834 303 1HB SER 40 1HB SER 40 9.634 -15.256 12.929 304 2HB SER 40 2HB SER 40 10.893 -14.346 12.094 305 HG SER 40 HG SER 40 9.945 -12.434 12.930 306 H SER 41 H SER 41 7.504 -14.966 9.306 307 HA SER 41 HA SER 41 9.635 -16.659 8.176 308 1HB SER 41 1HB SER 41 6.695 -17.280 8.487 309 2HB SER 41 2HB SER 41 7.760 -18.192 7.418 310 HG SER 41 HG SER 41 7.609 -19.174 9.464 311 H ASP 42 H ASP 42 9.058 -17.294 5.837 312 HA ASP 42 HA ASP 42 8.830 -14.889 4.333 313 1HB ASP 42 1HB ASP 42 8.923 -17.791 3.496 314 2HB ASP 42 2HB ASP 42 8.910 -16.449 2.355 315 H CYS 43 H CYS 43 6.517 -16.823 5.729 316 HA CYS 43 HA CYS 43 4.482 -17.263 4.020 317 1HB CYS 43 1HB CYS 43 4.539 -16.286 6.838 318 2HB CYS 43 2HB CYS 43 2.994 -16.295 5.996 319 HG CYS 43 HG CYS 43 4.960 -19.078 6.258 320 H TRP 44 H TRP 44 5.307 -14.104 5.404 321 HA TRP 44 HA TRP 44 3.277 -12.524 4.540 322 1HB TRP 44 1HB TRP 44 6.241 -11.949 4.539 323 2HB TRP 44 2HB TRP 44 5.027 -10.715 4.215 324 HD1 TRP 44 HD1 TRP 44 6.398 -12.893 7.050 325 HE1 TRP 44 HE1 TRP 44 5.611 -11.910 9.295 326 HE3 TRP 44 HE3 TRP 44 3.191 -9.322 5.291 327 HZ2 TRP 44 HZ2 TRP 44 3.860 -9.889 10.200 328 HZ3 TRP 44 HZ3 TRP 44 1.999 -7.906 6.912 329 HH2 TRP 44 HH2 TRP 44 2.328 -8.185 9.315 330 H ASP 45 H ASP 45 6.029 -13.612 2.583 331 HA ASP 45 HA ASP 45 5.844 -12.301 0.273 332 1HB ASP 45 1HB ASP 45 6.844 -14.089 -0.770 333 2HB ASP 45 2HB ASP 45 7.084 -14.552 0.912 334 H LYS 46 H LYS 46 3.622 -14.928 1.168 335 HA LYS 46 HA LYS 46 2.045 -14.855 -1.148 336 1HB LYS 46 1HB LYS 46 1.580 -15.802 1.659 337 2HB LYS 46 2HB LYS 46 0.250 -15.789 0.508 338 1HG LYS 46 1HG LYS 46 1.128 -17.478 -0.741 339 2HG LYS 46 2HG LYS 46 2.794 -17.067 -0.329 340 1HD LYS 46 1HD LYS 46 2.721 -18.210 1.674 341 2HD LYS 46 2HD LYS 46 0.965 -18.079 1.804 342 1HE LYS 46 1HE LYS 46 0.792 -19.645 -0.139 343 2HE LYS 46 2HE LYS 46 2.537 -19.871 -0.040 344 1HZ LYS 46 1HZ LYS 46 1.112 -20.250 2.449 345 2HZ LYS 46 2HZ LYS 46 2.348 -21.174 1.757 346 3HZ LYS 46 3HZ LYS 46 0.748 -21.385 1.248 347 H ILE 47 H ILE 47 1.543 -13.275 2.003 348 HA ILE 47 HA ILE 47 -0.842 -12.023 1.613 349 HB ILE 47 HB ILE 47 1.598 -10.801 2.908 350 1HG1 ILE 47 1HG1 ILE 47 -0.701 -12.129 4.320 351 2HG1 ILE 47 2HG1 ILE 47 0.650 -13.079 3.712 352 1HG2 ILE 47 1HG2 ILE 47 0.255 -9.188 3.877 353 2HG2 ILE 47 2HG2 ILE 47 -0.423 -9.310 2.254 354 3HG2 ILE 47 3HG2 ILE 47 -1.225 -10.109 3.606 355 1HD1 ILE 47 1HD1 ILE 47 0.468 -11.365 6.056 356 2HD1 ILE 47 2HD1 ILE 47 1.571 -12.695 5.700 357 3HD1 ILE 47 3HD1 ILE 47 1.910 -11.079 5.082 358 H ALA 48 H ALA 48 2.321 -10.919 0.457 359 HA ALA 48 HA ALA 48 1.505 -8.470 -0.626 360 1HB ALA 48 1HB ALA 48 3.593 -9.696 -2.196 361 2HB ALA 48 2HB ALA 48 3.662 -8.291 -1.132 362 3HB ALA 48 3HB ALA 48 3.881 -9.911 -0.469 363 H ARG 49 H ARG 49 1.273 -11.732 -1.854 364 HA ARG 49 HA ARG 49 0.895 -11.278 -4.560 365 1HB ARG 49 1HB ARG 49 -0.522 -13.325 -2.843 366 2HB ARG 49 2HB ARG 49 -0.353 -13.386 -4.592 367 1HG ARG 49 1HG ARG 49 2.098 -13.229 -2.908 368 2HG ARG 49 2HG ARG 49 1.236 -14.763 -3.043 369 1HD ARG 49 1HD ARG 49 2.926 -14.731 -4.726 370 2HD ARG 49 2HD ARG 49 1.368 -14.526 -5.527 371 HE ARG 49 HE ARG 49 2.729 -12.062 -4.891 372 1HH1 ARG 49 1HH1 ARG 49 2.249 -14.581 -7.245 373 2HH1 ARG 49 2HH1 ARG 49 2.745 -13.602 -8.586 374 1HH2 ARG 49 1HH2 ARG 49 3.384 -10.763 -6.648 375 2HH2 ARG 49 2HH2 ARG 49 3.392 -11.431 -8.245 376 H CYS 50 H CYS 50 -1.576 -11.379 -1.997 377 HA CYS 50 HA CYS 50 -3.767 -10.779 -3.642 378 1HB CYS 50 1HB CYS 50 -3.593 -11.559 -1.115 379 2HB CYS 50 2HB CYS 50 -3.726 -9.831 -0.811 380 HG CYS 50 HG CYS 50 -6.241 -11.049 -0.493 381 H VAL 51 H VAL 51 -1.209 -8.818 -2.517 382 HA VAL 51 HA VAL 51 -2.707 -6.366 -3.159 383 HB VAL 51 HB VAL 51 -0.037 -6.389 -1.787 384 1HG1 VAL 51 1HG1 VAL 51 -1.268 -4.319 -2.771 385 2HG1 VAL 51 2HG1 VAL 51 -2.269 -4.457 -1.324 386 3HG1 VAL 51 3HG1 VAL 51 -0.528 -4.217 -1.174 387 1HG2 VAL 51 1HG2 VAL 51 -1.583 -7.894 -0.553 388 2HG2 VAL 51 2HG2 VAL 51 -1.102 -6.468 0.365 389 3HG2 VAL 51 3HG2 VAL 51 -2.699 -6.539 -0.380 390 HA PRO 52 HA PRO 52 -0.007 -6.865 -6.823 391 1HB PRO 52 1HB PRO 52 -1.705 -5.573 -8.502 392 2HB PRO 52 2HB PRO 52 -1.869 -7.287 -8.102 393 1HG PRO 52 1HG PRO 52 -3.335 -4.930 -6.979 394 2HG PRO 52 2HG PRO 52 -3.966 -6.517 -7.457 395 1HD PRO 52 1HD PRO 52 -3.472 -5.863 -4.877 396 2HD PRO 52 2HD PRO 52 -3.290 -7.518 -5.494 397 H SER 53 H SER 53 -0.805 -4.389 -4.811 398 HA SER 53 HA SER 53 0.473 -2.334 -6.482 399 1HB SER 53 1HB SER 53 -1.525 -1.391 -5.764 400 2HB SER 53 2HB SER 53 -1.471 -2.212 -4.204 401 HG SER 53 HG SER 53 0.498 -0.314 -4.845 402 H LYS 54 H LYS 54 0.446 -3.590 -3.153 403 HA LYS 54 HA LYS 54 3.120 -2.452 -2.746 404 1HB LYS 54 1HB LYS 54 1.333 -3.698 -0.658 405 2HB LYS 54 2HB LYS 54 2.744 -2.682 -0.395 406 1HG LYS 54 1HG LYS 54 0.305 -1.671 -1.818 407 2HG LYS 54 2HG LYS 54 0.459 -1.623 -0.060 408 1HD LYS 54 1HD LYS 54 2.133 -0.050 -0.115 409 2HD LYS 54 2HD LYS 54 2.677 -0.530 -1.725 410 1HE LYS 54 1HE LYS 54 0.264 0.355 -2.385 411 2HE LYS 54 2HE LYS 54 0.485 1.308 -0.919 412 1HZ LYS 54 1HZ LYS 54 1.249 2.425 -2.973 413 2HZ LYS 54 2HZ LYS 54 2.434 1.232 -3.155 414 3HZ LYS 54 3HZ LYS 54 2.466 2.258 -1.810 415 H SER 55 H SER 55 4.840 -3.716 -1.994 416 HA SER 55 HA SER 55 4.692 -6.502 -2.815 417 1HB SER 55 1HB SER 55 6.921 -4.595 -2.189 418 2HB SER 55 2HB SER 55 7.231 -6.331 -2.178 419 HG SER 55 HG SER 55 7.582 -5.821 -4.240 420 H LYS 56 H LYS 56 6.175 -7.994 -1.373 421 HA LYS 56 HA LYS 56 4.799 -8.515 0.985 422 1HB LYS 56 1HB LYS 56 6.096 -10.238 -0.092 423 2HB LYS 56 2HB LYS 56 7.583 -9.327 0.138 424 1HG LYS 56 1HG LYS 56 5.960 -10.172 2.500 425 2HG LYS 56 2HG LYS 56 7.044 -11.314 1.703 426 1HD LYS 56 1HD LYS 56 8.738 -9.286 1.934 427 2HD LYS 56 2HD LYS 56 7.670 -8.871 3.277 428 1HE LYS 56 1HE LYS 56 8.012 -11.077 4.248 429 2HE LYS 56 2HE LYS 56 9.032 -11.535 2.886 430 1HZ LYS 56 1HZ LYS 56 10.564 -10.919 4.465 431 2HZ LYS 56 2HZ LYS 56 9.608 -9.670 5.086 432 3HZ LYS 56 3HZ LYS 56 10.393 -9.474 3.601 433 H GLU 57 H GLU 57 8.099 -7.183 0.684 434 HA GLU 57 HA GLU 57 8.640 -6.659 3.310 435 1HB GLU 57 1HB GLU 57 9.396 -5.245 0.780 436 2HB GLU 57 2HB GLU 57 9.874 -4.564 2.328 437 1HG GLU 57 1HG GLU 57 11.080 -6.578 2.888 438 2HG GLU 57 2HG GLU 57 10.529 -7.351 1.403 439 H ASP 58 H ASP 58 6.731 -4.680 1.088 440 HA ASP 58 HA ASP 58 6.326 -2.518 2.873 441 1HB ASP 58 1HB ASP 58 4.708 -3.427 0.484 442 2HB ASP 58 2HB ASP 58 4.472 -1.899 1.327 443 H CYS 59 H CYS 59 4.486 -5.451 2.170 444 HA CYS 59 HA CYS 59 2.159 -4.916 3.566 445 1HB CYS 59 1HB CYS 59 3.653 -7.470 3.030 446 2HB CYS 59 2HB CYS 59 2.164 -7.475 3.967 447 HG CYS 59 HG CYS 59 1.385 -8.252 1.473 448 H ILE 60 H ILE 60 5.224 -6.216 4.777 449 HA ILE 60 HA ILE 60 4.355 -6.651 7.430 450 HB ILE 60 HB ILE 60 7.117 -6.201 6.303 451 1HG1 ILE 60 1HG1 ILE 60 6.145 -8.776 7.458 452 2HG1 ILE 60 2HG1 ILE 60 5.565 -8.310 5.863 453 1HG2 ILE 60 1HG2 ILE 60 8.027 -6.913 8.410 454 2HG2 ILE 60 2HG2 ILE 60 6.967 -5.531 8.687 455 3HG2 ILE 60 3HG2 ILE 60 6.411 -7.160 9.071 456 1HD1 ILE 60 1HD1 ILE 60 8.225 -9.211 6.723 457 2HD1 ILE 60 2HD1 ILE 60 7.388 -9.426 5.185 458 3HD1 ILE 60 3HD1 ILE 60 8.201 -7.902 5.541 459 H ALA 61 H ALA 61 6.385 -4.035 6.095 460 HA ALA 61 HA ALA 61 6.629 -2.453 8.318 461 1HB ALA 61 1HB ALA 61 7.824 -1.891 6.340 462 2HB ALA 61 2HB ALA 61 6.330 -1.639 5.435 463 3HB ALA 61 3HB ALA 61 6.779 -0.523 6.724 464 H ARG 62 H ARG 62 3.845 -2.810 6.219 465 HA ARG 62 HA ARG 62 2.404 -0.586 7.298 466 1HB ARG 62 1HB ARG 62 2.123 -1.899 5.020 467 2HB ARG 62 2HB ARG 62 1.015 -2.875 5.976 468 1HG ARG 62 1HG ARG 62 -0.165 -1.122 4.781 469 2HG ARG 62 2HG ARG 62 -0.278 -0.883 6.526 470 1HD ARG 62 1HD ARG 62 0.214 1.165 5.075 471 2HD ARG 62 2HD ARG 62 1.226 0.905 6.496 472 HE ARG 62 HE ARG 62 2.305 -0.240 4.093 473 1HH1 ARG 62 1HH1 ARG 62 2.058 2.647 6.022 474 2HH1 ARG 62 2HH1 ARG 62 3.517 3.345 5.400 475 1HH2 ARG 62 1HH2 ARG 62 4.228 0.667 3.267 476 2HH2 ARG 62 2HH2 ARG 62 4.750 2.218 3.833 477 H TYR 63 H TYR 63 2.242 -4.107 7.745 478 HA TYR 63 HA TYR 63 0.108 -4.390 9.397 479 1HB TYR 63 1HB TYR 63 1.525 -6.262 8.668 480 2HB TYR 63 2HB TYR 63 2.797 -5.729 9.762 481 HD1 TYR 63 HD1 TYR 63 -0.600 -7.167 9.588 482 HD2 TYR 63 HD2 TYR 63 2.722 -6.255 12.086 483 HE1 TYR 63 HE1 TYR 63 -1.577 -8.540 11.379 484 HE2 TYR 63 HE2 TYR 63 1.754 -7.626 13.884 485 HH TYR 63 HH TYR 63 -0.904 -8.360 14.409 486 H LYS 64 H LYS 64 3.267 -3.103 10.253 487 HA LYS 64 HA LYS 64 3.068 -3.058 13.017 488 1HB LYS 64 1HB LYS 64 4.398 -1.137 11.108 489 2HB LYS 64 2HB LYS 64 4.565 -1.011 12.854 490 1HG LYS 64 1HG LYS 64 5.864 -2.888 13.006 491 2HG LYS 64 2HG LYS 64 5.183 -3.611 11.547 492 1HD LYS 64 1HD LYS 64 6.360 -1.869 10.212 493 2HD LYS 64 2HD LYS 64 7.132 -1.312 11.699 494 1HE LYS 64 1HE LYS 64 7.870 -3.788 11.940 495 2HE LYS 64 2HE LYS 64 7.504 -3.888 10.218 496 1HZ LYS 64 1HZ LYS 64 9.011 -1.911 9.954 497 2HZ LYS 64 2HZ LYS 64 9.774 -3.358 10.383 498 3HZ LYS 64 3HZ LYS 64 9.509 -2.164 11.551 499 H LEU 65 H LEU 65 1.840 -0.730 10.650 500 HA LEU 65 HA LEU 65 0.810 1.058 12.636 501 1HB LEU 65 1HB LEU 65 0.182 0.854 9.695 502 2HB LEU 65 2HB LEU 65 -0.258 2.195 10.751 503 HG LEU 65 HG LEU 65 2.381 2.257 11.111 504 1HD1 LEU 65 1HD1 LEU 65 3.596 1.126 9.642 505 2HD1 LEU 65 2HD1 LEU 65 2.694 1.817 8.293 506 3HD1 LEU 65 3HD1 LEU 65 2.117 0.347 9.078 507 1HD2 LEU 65 1HD2 LEU 65 2.404 4.135 9.755 508 2HD2 LEU 65 2HD2 LEU 65 0.692 3.965 10.145 509 3HD2 LEU 65 3HD2 LEU 65 1.298 3.427 8.578 510 H LEU 66 H LEU 66 -0.461 -1.607 10.744 511 HA LEU 66 HA LEU 66 -3.195 -1.204 11.177 512 1HB LEU 66 1HB LEU 66 -1.489 -3.559 10.541 513 2HB LEU 66 2HB LEU 66 -3.162 -3.836 11.019 514 HG LEU 66 HG LEU 66 -3.590 -2.029 9.110 515 1HD1 LEU 66 1HD1 LEU 66 -2.073 -2.106 7.334 516 2HD1 LEU 66 2HD1 LEU 66 -1.215 -3.491 8.006 517 3HD1 LEU 66 3HD1 LEU 66 -1.062 -1.907 8.765 518 1HD2 LEU 66 1HD2 LEU 66 -3.383 -4.974 9.134 519 2HD2 LEU 66 2HD2 LEU 66 -3.485 -4.208 7.548 520 3HD2 LEU 66 3HD2 LEU 66 -4.752 -3.932 8.744 521 H VAL 67 H VAL 67 -0.842 -3.110 13.042 522 HA VAL 67 HA VAL 67 -2.768 -3.780 15.070 523 HB VAL 67 HB VAL 67 -0.844 -4.743 16.284 524 1HG1 VAL 67 1HG1 VAL 67 -1.961 -6.185 14.760 525 2HG1 VAL 67 2HG1 VAL 67 -1.142 -5.460 13.374 526 3HG1 VAL 67 3HG1 VAL 67 -0.230 -6.434 14.529 527 1HG2 VAL 67 1HG2 VAL 67 1.182 -4.688 14.353 528 2HG2 VAL 67 2HG2 VAL 67 0.626 -3.022 14.509 529 3HG2 VAL 67 3HG2 VAL 67 1.185 -3.902 15.931 530 H SER 68 H SER 68 -0.602 -1.181 14.474 531 HA SER 68 HA SER 68 -0.633 -0.301 17.257 532 1HB SER 68 1HB SER 68 1.440 -0.196 15.754 533 2HB SER 68 2HB SER 68 0.645 1.153 14.943 534 HG SER 68 HG SER 68 0.423 1.839 17.359 535 H GLY 69 H GLY 69 -3.152 -0.342 16.132 536 1HA GLY 69 1HA GLY 69 -3.827 2.491 16.275 537 2HA GLY 69 2HA GLY 69 -4.286 1.657 14.797 538 HA PRO 70 HA PRO 70 -7.245 0.893 18.538 539 1HB PRO 70 1HB PRO 70 -8.861 3.072 18.439 540 2HB PRO 70 2HB PRO 70 -7.419 2.991 19.459 541 1HG PRO 70 1HG PRO 70 -7.775 4.280 16.781 542 2HG PRO 70 2HG PRO 70 -6.928 4.892 18.214 543 1HD PRO 70 1HD PRO 70 -5.626 3.777 16.118 544 2HD PRO 70 2HD PRO 70 -5.040 3.640 17.788 545 H SER 71 H SER 71 -9.221 -0.055 18.191 546 HA SER 71 HA SER 71 -10.630 0.489 15.688 547 1HB SER 71 1HB SER 71 -9.757 -2.283 16.537 548 2HB SER 71 2HB SER 71 -10.794 -1.913 15.160 549 HG SER 71 HG SER 71 -8.094 -1.824 15.352 550 H SER 72 H SER 72 -12.747 -0.773 15.629 551 HA SER 72 HA SER 72 -13.948 -0.638 18.308 552 1HB SER 72 1HB SER 72 -14.834 0.836 16.442 553 2HB SER 72 2HB SER 72 -15.415 -0.637 15.666 554 HG SER 72 HG SER 72 -16.604 0.768 17.553 555 H GLY 73 H GLY 73 -14.591 -2.442 19.281 556 1HA GLY 73 1HA GLY 73 -15.967 -4.564 18.176 557 2HA GLY 73 2HA GLY 73 -14.267 -4.987 18.032 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -17.985 7.177 -1.282 2 1HA GLY 1 1HA GLY 1 -16.346 8.734 -1.693 3 2HA GLY 1 2HA GLY 1 -15.174 7.445 -1.459 4 H SER 2 H SER 2 -14.436 6.262 -3.245 5 HA SER 2 HA SER 2 -15.395 6.826 -5.892 6 1HB SER 2 1HB SER 2 -13.829 8.785 -5.132 7 2HB SER 2 2HB SER 2 -12.538 7.625 -5.447 8 HG SER 2 HG SER 2 -12.809 7.951 -7.497 9 H SER 3 H SER 3 -14.078 5.681 -7.559 10 HA SER 3 HA SER 3 -13.108 3.154 -6.436 11 1HB SER 3 1HB SER 3 -13.411 2.283 -8.754 12 2HB SER 3 2HB SER 3 -14.899 2.922 -8.056 13 HG SER 3 HG SER 3 -13.620 3.687 -10.288 14 H GLY 4 H GLY 4 -12.243 5.535 -8.942 15 1HA GLY 4 1HA GLY 4 -9.688 6.049 -8.473 16 2HA GLY 4 2HA GLY 4 -9.553 4.411 -9.096 17 H SER 5 H SER 5 -10.442 7.714 -9.866 18 HA SER 5 HA SER 5 -11.147 7.314 -12.561 19 1HB SER 5 1HB SER 5 -11.388 9.418 -11.002 20 2HB SER 5 2HB SER 5 -9.813 9.846 -11.670 21 HG SER 5 HG SER 5 -12.282 9.925 -12.834 22 H SER 6 H SER 6 -8.098 8.609 -11.230 23 HA SER 6 HA SER 6 -6.639 7.251 -13.371 24 1HB SER 6 1HB SER 6 -5.362 9.268 -13.917 25 2HB SER 6 2HB SER 6 -7.083 9.539 -14.190 26 HG SER 6 HG SER 6 -6.172 10.176 -11.662 27 H GLY 7 H GLY 7 -4.935 6.213 -12.574 28 1HA GLY 7 1HA GLY 7 -3.918 7.051 -9.934 29 2HA GLY 7 2HA GLY 7 -3.866 5.406 -10.550 30 H SER 8 H SER 8 -1.725 7.200 -9.541 31 HA SER 8 HA SER 8 -0.053 7.369 -11.956 32 1HB SER 8 1HB SER 8 0.353 8.718 -9.276 33 2HB SER 8 2HB SER 8 1.346 8.947 -10.715 34 HG SER 8 HG SER 8 -1.399 9.381 -10.951 35 H LEU 9 H LEU 9 1.014 5.502 -12.192 36 HA LEU 9 HA LEU 9 2.556 4.516 -9.889 37 1HB LEU 9 1HB LEU 9 0.471 3.152 -10.543 38 2HB LEU 9 2HB LEU 9 1.411 2.667 -11.953 39 HG LEU 9 HG LEU 9 1.504 0.963 -10.230 40 1HD1 LEU 9 1HD1 LEU 9 4.209 2.205 -10.120 41 2HD1 LEU 9 2HD1 LEU 9 3.545 1.726 -11.681 42 3HD1 LEU 9 3HD1 LEU 9 3.747 0.527 -10.404 43 1HD2 LEU 9 1HD2 LEU 9 1.885 1.338 -8.047 44 2HD2 LEU 9 2HD2 LEU 9 1.401 2.990 -8.435 45 3HD2 LEU 9 3HD2 LEU 9 3.112 2.565 -8.365 46 H ARG 10 H ARG 10 4.660 4.476 -10.288 47 HA ARG 10 HA ARG 10 5.556 4.204 -13.083 48 1HB ARG 10 1HB ARG 10 6.600 5.959 -10.871 49 2HB ARG 10 2HB ARG 10 7.594 5.536 -12.258 50 1HG ARG 10 1HG ARG 10 4.900 6.851 -12.492 51 2HG ARG 10 2HG ARG 10 6.423 7.740 -12.410 52 1HD ARG 10 1HD ARG 10 5.810 5.627 -14.469 53 2HD ARG 10 2HD ARG 10 5.558 7.353 -14.725 54 HE ARG 10 HE ARG 10 8.086 5.946 -14.670 55 1HH1 ARG 10 1HH1 ARG 10 6.452 9.017 -14.509 56 2HH1 ARG 10 2HH1 ARG 10 7.848 9.931 -14.977 57 1HH2 ARG 10 1HH2 ARG 10 9.930 7.139 -15.287 58 2HH2 ARG 10 2HH2 ARG 10 9.825 8.862 -15.420 59 H LYS 11 H LYS 11 7.486 3.047 -13.453 60 HA LYS 11 HA LYS 11 7.922 0.906 -11.568 61 1HB LYS 11 1HB LYS 11 7.824 0.570 -14.051 62 2HB LYS 11 2HB LYS 11 9.350 1.434 -14.178 63 1HG LYS 11 1HG LYS 11 9.984 -0.793 -14.217 64 2HG LYS 11 2HG LYS 11 10.246 -0.327 -12.535 65 1HD LYS 11 1HD LYS 11 9.114 -2.285 -12.213 66 2HD LYS 11 2HD LYS 11 7.746 -1.171 -12.296 67 1HE LYS 11 1HE LYS 11 8.749 -2.386 -14.822 68 2HE LYS 11 2HE LYS 11 7.810 -3.393 -13.721 69 1HZ LYS 11 1HZ LYS 11 5.983 -2.471 -14.524 70 2HZ LYS 11 2HZ LYS 11 6.887 -1.460 -15.535 71 3HZ LYS 11 3HZ LYS 11 6.486 -0.953 -13.972 72 H GLU 12 H GLU 12 8.837 2.084 -9.811 73 HA GLU 12 HA GLU 12 11.651 2.073 -9.760 74 1HB GLU 12 1HB GLU 12 11.604 4.084 -11.043 75 2HB GLU 12 2HB GLU 12 10.337 4.773 -10.038 76 1HG GLU 12 1HG GLU 12 11.775 5.365 -8.379 77 2HG GLU 12 2HG GLU 12 12.899 4.053 -8.731 78 H ARG 13 H ARG 13 12.388 2.045 -7.691 79 HA ARG 13 HA ARG 13 10.413 1.974 -5.597 80 1HB ARG 13 1HB ARG 13 12.117 1.089 -4.216 81 2HB ARG 13 2HB ARG 13 12.401 0.408 -5.812 82 1HG ARG 13 1HG ARG 13 14.037 2.386 -6.108 83 2HG ARG 13 2HG ARG 13 13.957 2.497 -4.348 84 1HD ARG 13 1HD ARG 13 14.555 -0.089 -5.753 85 2HD ARG 13 2HD ARG 13 15.823 1.074 -5.368 86 HE ARG 13 HE ARG 13 14.499 -0.692 -3.550 87 1HH1 ARG 13 1HH1 ARG 13 16.098 2.388 -3.836 88 2HH1 ARG 13 2HH1 ARG 13 16.573 2.442 -2.171 89 1HH2 ARG 13 1HH2 ARG 13 15.118 -0.631 -1.356 90 2HH2 ARG 13 2HH2 ARG 13 16.016 0.724 -0.761 91 H ALA 14 H ALA 14 12.869 4.178 -6.719 92 HA ALA 14 HA ALA 14 13.322 5.771 -4.522 93 1HB ALA 14 1HB ALA 14 14.539 6.145 -6.538 94 2HB ALA 14 2HB ALA 14 13.066 6.554 -7.419 95 3HB ALA 14 3HB ALA 14 13.667 7.630 -6.157 96 H ARG 15 H ARG 15 10.585 5.869 -6.764 97 HA ARG 15 HA ARG 15 9.350 8.029 -5.244 98 1HB ARG 15 1HB ARG 15 8.711 6.665 -7.845 99 2HB ARG 15 2HB ARG 15 7.518 7.678 -7.042 100 1HG ARG 15 1HG ARG 15 9.187 9.534 -7.073 101 2HG ARG 15 2HG ARG 15 10.223 8.505 -8.064 102 1HD ARG 15 1HD ARG 15 8.274 8.305 -9.661 103 2HD ARG 15 2HD ARG 15 7.497 9.588 -8.735 104 HE ARG 15 HE ARG 15 9.899 10.656 -9.342 105 1HH1 ARG 15 1HH1 ARG 15 7.436 9.108 -11.255 106 2HH1 ARG 15 2HH1 ARG 15 7.793 10.016 -12.687 107 1HH2 ARG 15 1HH2 ARG 15 10.379 11.857 -11.221 108 2HH2 ARG 15 2HH2 ARG 15 9.469 11.578 -12.667 109 H SER 16 H SER 16 8.846 4.621 -6.008 110 HA SER 16 HA SER 16 6.396 4.495 -4.475 111 1HB SER 16 1HB SER 16 8.028 2.452 -5.976 112 2HB SER 16 2HB SER 16 6.658 1.986 -4.968 113 HG SER 16 HG SER 16 6.041 2.317 -7.144 114 H ALA 17 H ALA 17 8.691 5.370 -3.019 115 HA ALA 17 HA ALA 17 9.597 3.160 -1.396 116 1HB ALA 17 1HB ALA 17 10.702 5.008 -0.070 117 2HB ALA 17 2HB ALA 17 11.201 4.856 -1.755 118 3HB ALA 17 3HB ALA 17 10.074 6.126 -1.280 119 H GLU 18 H GLU 18 7.690 6.116 -0.802 120 HA GLU 18 HA GLU 18 6.335 4.685 1.384 121 1HB GLU 18 1HB GLU 18 7.687 7.330 1.414 122 2HB GLU 18 2HB GLU 18 6.169 7.200 2.291 123 1HG GLU 18 1HG GLU 18 8.203 5.098 2.754 124 2HG GLU 18 2HG GLU 18 8.511 6.701 3.419 125 H GLU 19 H GLU 19 4.850 4.293 -0.491 126 HA GLU 19 HA GLU 19 3.195 6.610 -1.172 127 1HB GLU 19 1HB GLU 19 2.392 5.397 -3.005 128 2HB GLU 19 2HB GLU 19 4.086 4.936 -2.906 129 1HG GLU 19 1HG GLU 19 3.151 2.968 -1.458 130 2HG GLU 19 2HG GLU 19 1.648 3.342 -2.299 131 HA PRO 20 HA PRO 20 -0.086 5.511 1.530 132 1HB PRO 20 1HB PRO 20 -2.228 6.384 0.108 133 2HB PRO 20 2HB PRO 20 -1.091 7.480 0.903 134 1HG PRO 20 1HG PRO 20 -1.227 6.649 -1.969 135 2HG PRO 20 2HG PRO 20 -0.944 8.259 -1.283 136 1HD PRO 20 1HD PRO 20 1.063 6.702 -2.219 137 2HD PRO 20 2HD PRO 20 1.281 7.828 -0.864 138 H TRP 21 H TRP 21 -2.384 4.473 1.413 139 HA TRP 21 HA TRP 21 -2.251 2.157 -0.407 140 1HB TRP 21 1HB TRP 21 -3.165 2.285 2.470 141 2HB TRP 21 2HB TRP 21 -3.452 0.901 1.419 142 HD1 TRP 21 HD1 TRP 21 -0.260 2.979 2.233 143 HE1 TRP 21 HE1 TRP 21 1.639 1.322 2.754 144 HE3 TRP 21 HE3 TRP 21 -2.834 -1.404 1.683 145 HZ2 TRP 21 HZ2 TRP 21 1.999 -1.473 2.911 146 HZ3 TRP 21 HZ3 TRP 21 -1.639 -3.525 2.035 147 HH2 TRP 21 HH2 TRP 21 0.728 -3.557 2.636 148 H THR 22 H THR 22 -4.020 1.683 -1.579 149 HA THR 22 HA THR 22 -6.203 3.565 -1.573 150 HB THR 22 HB THR 22 -6.900 2.616 -3.591 151 HG1 THR 22 HG1 THR 22 -5.411 0.270 -2.947 152 1HG2 THR 22 1HG2 THR 22 -4.331 3.392 -3.361 153 2HG2 THR 22 2HG2 THR 22 -5.063 2.901 -4.888 154 3HG2 THR 22 3HG2 THR 22 -4.100 1.751 -3.962 155 H GLN 23 H GLN 23 -8.444 2.289 -2.130 156 HA GLN 23 HA GLN 23 -9.241 1.197 0.383 157 1HB GLN 23 1HB GLN 23 -11.446 0.848 -0.826 158 2HB GLN 23 2HB GLN 23 -10.859 2.504 -0.743 159 1HG GLN 23 1HG GLN 23 -10.312 2.561 -2.991 160 2HG GLN 23 2HG GLN 23 -10.258 0.804 -3.125 161 1HE2 GLN 23 1HE2 GLN 23 -11.846 0.040 -4.302 162 2HE2 GLN 23 2HE2 GLN 23 -13.460 0.652 -4.368 163 H ASN 24 H ASN 24 -8.635 -0.136 -2.826 164 HA ASN 24 HA ASN 24 -9.552 -2.760 -2.219 165 1HB ASN 24 1HB ASN 24 -9.091 -1.572 -4.531 166 2HB ASN 24 2HB ASN 24 -7.487 -2.270 -4.327 167 1HD2 ASN 24 1HD2 ASN 24 -9.350 -2.903 -6.371 168 2HD2 ASN 24 2HD2 ASN 24 -9.760 -4.573 -6.203 169 H GLN 25 H GLN 25 -6.358 -1.228 -2.256 170 HA GLN 25 HA GLN 25 -4.862 -3.535 -1.665 171 1HB GLN 25 1HB GLN 25 -4.384 -0.596 -1.457 172 2HB GLN 25 2HB GLN 25 -3.263 -1.686 -0.652 173 1HG GLN 25 1HG GLN 25 -2.401 -1.153 -2.814 174 2HG GLN 25 2HG GLN 25 -2.905 -2.842 -2.807 175 1HE2 GLN 25 1HE2 GLN 25 -3.066 0.056 -4.437 176 2HE2 GLN 25 2HE2 GLN 25 -4.381 -0.304 -5.497 177 H GLN 26 H GLN 26 -5.828 -0.881 0.518 178 HA GLN 26 HA GLN 26 -4.951 -1.881 2.902 179 1HB GLN 26 1HB GLN 26 -6.103 0.328 2.495 180 2HB GLN 26 2HB GLN 26 -7.633 -0.536 2.568 181 1HG GLN 26 1HG GLN 26 -7.050 0.569 4.683 182 2HG GLN 26 2HG GLN 26 -7.222 -1.178 4.846 183 1HE2 GLN 26 1HE2 GLN 26 -5.276 -2.451 4.938 184 2HE2 GLN 26 2HE2 GLN 26 -3.832 -1.763 5.591 185 H LYS 27 H LYS 27 -7.706 -2.931 1.035 186 HA LYS 27 HA LYS 27 -8.765 -4.592 3.148 187 1HB LYS 27 1HB LYS 27 -10.509 -3.939 1.818 188 2HB LYS 27 2HB LYS 27 -9.530 -3.918 0.357 189 1HG LYS 27 1HG LYS 27 -9.559 -6.407 0.382 190 2HG LYS 27 2HG LYS 27 -10.691 -6.329 1.734 191 1HD LYS 27 1HD LYS 27 -11.339 -4.759 -0.703 192 2HD LYS 27 2HD LYS 27 -11.507 -6.514 -0.790 193 1HE LYS 27 1HE LYS 27 -13.591 -5.982 -0.037 194 2HE LYS 27 2HE LYS 27 -12.762 -6.138 1.511 195 1HZ LYS 27 1HZ LYS 27 -14.180 -3.984 0.719 196 2HZ LYS 27 2HZ LYS 27 -12.598 -3.503 0.363 197 3HZ LYS 27 3HZ LYS 27 -13.005 -3.974 1.936 198 H LEU 28 H LEU 28 -7.541 -5.312 -0.128 199 HA LEU 28 HA LEU 28 -7.353 -8.019 -0.004 200 1HB LEU 28 1HB LEU 28 -5.413 -6.070 -1.229 201 2HB LEU 28 2HB LEU 28 -5.351 -7.809 -1.507 202 HG LEU 28 HG LEU 28 -7.657 -6.010 -2.253 203 1HD1 LEU 28 1HD1 LEU 28 -6.832 -5.839 -4.361 204 2HD1 LEU 28 2HD1 LEU 28 -5.976 -7.378 -4.274 205 3HD1 LEU 28 3HD1 LEU 28 -5.304 -5.951 -3.487 206 1HD2 LEU 28 1HD2 LEU 28 -8.064 -8.186 -3.694 207 2HD2 LEU 28 2HD2 LEU 28 -8.674 -8.043 -2.045 208 3HD2 LEU 28 3HD2 LEU 28 -7.191 -8.944 -2.362 209 H LEU 29 H LEU 29 -5.212 -5.690 1.512 210 HA LEU 29 HA LEU 29 -3.206 -7.553 2.279 211 1HB LEU 29 1HB LEU 29 -2.597 -5.272 2.186 212 2HB LEU 29 2HB LEU 29 -3.936 -4.797 3.229 213 HG LEU 29 HG LEU 29 -2.772 -6.074 5.081 214 1HD1 LEU 29 1HD1 LEU 29 -0.192 -5.753 3.726 215 2HD1 LEU 29 2HD1 LEU 29 -1.204 -7.052 3.095 216 3HD1 LEU 29 3HD1 LEU 29 -0.762 -7.029 4.802 217 1HD2 LEU 29 1HD2 LEU 29 -2.674 -3.508 4.435 218 2HD2 LEU 29 2HD2 LEU 29 -0.971 -3.890 4.182 219 3HD2 LEU 29 3HD2 LEU 29 -1.714 -4.172 5.757 220 H GLU 30 H GLU 30 -5.657 -5.863 4.252 221 HA GLU 30 HA GLU 30 -5.301 -7.219 6.617 222 1HB GLU 30 1HB GLU 30 -7.928 -6.271 5.460 223 2HB GLU 30 2HB GLU 30 -7.631 -6.642 7.152 224 1HG GLU 30 1HG GLU 30 -6.306 -4.770 7.466 225 2HG GLU 30 2HG GLU 30 -5.984 -4.586 5.743 226 H LEU 31 H LEU 31 -7.557 -8.084 4.000 227 HA LEU 31 HA LEU 31 -8.589 -10.403 5.141 228 1HB LEU 31 1HB LEU 31 -8.258 -9.435 2.338 229 2HB LEU 31 2HB LEU 31 -8.809 -11.085 2.622 230 HG LEU 31 HG LEU 31 -10.653 -9.502 2.197 231 1HD1 LEU 31 1HD1 LEU 31 -11.507 -10.033 4.811 232 2HD1 LEU 31 2HD1 LEU 31 -10.392 -11.332 4.390 233 3HD1 LEU 31 3HD1 LEU 31 -11.790 -11.004 3.366 234 1HD2 LEU 31 1HD2 LEU 31 -10.072 -8.294 4.881 235 2HD2 LEU 31 2HD2 LEU 31 -11.175 -7.727 3.627 236 3HD2 LEU 31 3HD2 LEU 31 -9.431 -7.597 3.393 237 H ALA 32 H ALA 32 -5.660 -9.905 3.245 238 HA ALA 32 HA ALA 32 -4.997 -12.646 2.949 239 1HB ALA 32 1HB ALA 32 -4.064 -10.904 1.508 240 2HB ALA 32 2HB ALA 32 -3.184 -10.237 2.884 241 3HB ALA 32 3HB ALA 32 -2.793 -11.849 2.284 242 H LEU 33 H LEU 33 -4.213 -10.208 5.375 243 HA LEU 33 HA LEU 33 -2.218 -11.487 6.785 244 1HB LEU 33 1HB LEU 33 -4.348 -9.547 7.478 245 2HB LEU 33 2HB LEU 33 -3.521 -10.346 8.813 246 HG LEU 33 HG LEU 33 -2.628 -8.085 8.147 247 1HD1 LEU 33 1HD1 LEU 33 -1.391 -10.039 9.330 248 2HD1 LEU 33 2HD1 LEU 33 -0.473 -8.655 8.738 249 3HD1 LEU 33 3HD1 LEU 33 -0.501 -10.156 7.812 250 1HD2 LEU 33 1HD2 LEU 33 -2.178 -9.596 5.638 251 2HD2 LEU 33 2HD2 LEU 33 -0.904 -8.493 6.159 252 3HD2 LEU 33 3HD2 LEU 33 -2.539 -7.888 5.887 253 H GLN 34 H GLN 34 -5.732 -11.804 7.238 254 HA GLN 34 HA GLN 34 -5.699 -13.602 9.359 255 1HB GLN 34 1HB GLN 34 -7.716 -13.539 7.110 256 2HB GLN 34 2HB GLN 34 -7.967 -14.179 8.729 257 1HG GLN 34 1HG GLN 34 -7.305 -11.713 9.413 258 2HG GLN 34 2HG GLN 34 -7.888 -11.370 7.786 259 1HE2 GLN 34 1HE2 GLN 34 -10.061 -12.038 7.257 260 2HE2 GLN 34 2HE2 GLN 34 -11.261 -12.093 8.499 261 H GLN 35 H GLN 35 -5.513 -14.195 5.881 262 HA GLN 35 HA GLN 35 -5.611 -17.030 6.084 263 1HB GLN 35 1HB GLN 35 -4.522 -15.291 3.864 264 2HB GLN 35 2HB GLN 35 -4.864 -17.011 3.739 265 1HG GLN 35 1HG GLN 35 -7.130 -16.703 3.699 266 2HG GLN 35 2HG GLN 35 -7.048 -15.178 4.580 267 1HE2 GLN 35 1HE2 GLN 35 -5.426 -16.313 1.642 268 2HE2 GLN 35 2HE2 GLN 35 -5.987 -15.031 0.629 269 H TYR 36 H TYR 36 -2.975 -14.682 5.819 270 HA TYR 36 HA TYR 36 -1.119 -16.802 6.673 271 1HB TYR 36 1HB TYR 36 -0.267 -14.574 4.840 272 2HB TYR 36 2HB TYR 36 0.544 -16.102 5.164 273 HD1 TYR 36 HD1 TYR 36 -2.381 -14.580 3.476 274 HD2 TYR 36 HD2 TYR 36 0.096 -18.019 3.855 275 HE1 TYR 36 HE1 TYR 36 -3.444 -15.557 1.485 276 HE2 TYR 36 HE2 TYR 36 -0.959 -19.005 1.864 277 HH TYR 36 HH TYR 36 -2.246 -17.852 -0.299 278 HA PRO 37 HA PRO 37 -0.880 -13.433 9.759 279 1HB PRO 37 1HB PRO 37 -0.258 -15.090 11.817 280 2HB PRO 37 2HB PRO 37 -1.919 -14.801 11.285 281 1HG PRO 37 1HG PRO 37 -0.102 -17.097 10.660 282 2HG PRO 37 2HG PRO 37 -1.825 -17.115 11.080 283 1HD PRO 37 1HD PRO 37 -0.945 -17.342 8.529 284 2HD PRO 37 2HD PRO 37 -2.481 -16.554 8.943 285 H ARG 38 H ARG 38 0.913 -12.697 11.075 286 HA ARG 38 HA ARG 38 3.362 -12.705 9.811 287 1HB ARG 38 1HB ARG 38 4.242 -11.599 11.715 288 2HB ARG 38 2HB ARG 38 2.551 -11.126 11.617 289 1HG ARG 38 1HG ARG 38 3.291 -13.456 13.313 290 2HG ARG 38 2HG ARG 38 3.629 -11.825 13.897 291 1HD ARG 38 1HD ARG 38 1.253 -11.243 13.509 292 2HD ARG 38 2HD ARG 38 0.950 -12.918 13.048 293 HE ARG 38 HE ARG 38 1.216 -11.885 15.700 294 1HH1 ARG 38 1HH1 ARG 38 1.689 -14.702 13.710 295 2HH1 ARG 38 2HH1 ARG 38 1.547 -15.818 15.029 296 1HH2 ARG 38 1HH2 ARG 38 1.026 -13.343 17.443 297 2HH2 ARG 38 2HH2 ARG 38 1.169 -15.044 17.151 298 H GLY 39 H GLY 39 5.399 -13.658 10.326 299 1HA GLY 39 1HA GLY 39 5.781 -15.694 12.222 300 2HA GLY 39 2HA GLY 39 5.310 -16.441 10.702 301 H SER 40 H SER 40 7.774 -16.924 11.904 302 HA SER 40 HA SER 40 9.791 -15.268 10.697 303 1HB SER 40 1HB SER 40 10.113 -17.985 11.991 304 2HB SER 40 2HB SER 40 11.385 -16.802 11.688 305 HG SER 40 HG SER 40 9.824 -17.009 13.816 306 H SER 41 H SER 41 8.125 -16.099 8.703 307 HA SER 41 HA SER 41 9.950 -17.660 7.057 308 1HB SER 41 1HB SER 41 8.223 -19.216 8.146 309 2HB SER 41 2HB SER 41 7.032 -18.421 7.117 310 HG SER 41 HG SER 41 9.185 -20.076 6.407 311 H ASP 42 H ASP 42 8.664 -17.905 4.767 312 HA ASP 42 HA ASP 42 8.435 -15.204 3.838 313 1HB ASP 42 1HB ASP 42 7.980 -16.305 1.623 314 2HB ASP 42 2HB ASP 42 9.492 -16.792 2.386 315 H CYS 43 H CYS 43 6.322 -16.899 5.543 316 HA CYS 43 HA CYS 43 3.921 -17.172 4.390 317 1HB CYS 43 1HB CYS 43 4.640 -15.930 7.029 318 2HB CYS 43 2HB CYS 43 2.956 -16.068 6.539 319 HG CYS 43 HG CYS 43 5.060 -18.758 6.721 320 H TRP 44 H TRP 44 5.350 -14.053 5.278 321 HA TRP 44 HA TRP 44 3.190 -12.424 4.570 322 1HB TRP 44 1HB TRP 44 6.162 -11.895 4.609 323 2HB TRP 44 2HB TRP 44 4.973 -10.641 4.266 324 HD1 TRP 44 HD1 TRP 44 6.411 -12.705 7.118 325 HE1 TRP 44 HE1 TRP 44 5.550 -11.759 9.352 326 HE3 TRP 44 HE3 TRP 44 2.945 -9.404 5.321 327 HZ2 TRP 44 HZ2 TRP 44 3.653 -9.865 10.235 328 HZ3 TRP 44 HZ3 TRP 44 1.649 -8.064 6.927 329 HH2 TRP 44 HH2 TRP 44 1.996 -8.291 9.333 330 H ASP 45 H ASP 45 5.902 -13.627 2.640 331 HA ASP 45 HA ASP 45 5.661 -12.239 0.316 332 1HB ASP 45 1HB ASP 45 6.003 -15.242 0.431 333 2HB ASP 45 2HB ASP 45 6.554 -14.162 -0.847 334 H LYS 46 H LYS 46 3.531 -14.783 1.476 335 HA LYS 46 HA LYS 46 2.019 -15.002 -0.934 336 1HB LYS 46 1HB LYS 46 1.637 -15.943 1.890 337 2HB LYS 46 2HB LYS 46 0.327 -16.084 0.725 338 1HG LYS 46 1HG LYS 46 1.452 -17.637 -0.557 339 2HG LYS 46 2HG LYS 46 3.035 -17.146 0.052 340 1HD LYS 46 1HD LYS 46 2.814 -18.360 1.993 341 2HD LYS 46 2HD LYS 46 1.050 -18.295 1.958 342 1HE LYS 46 1HE LYS 46 1.365 -20.475 1.360 343 2HE LYS 46 2HE LYS 46 1.394 -19.726 -0.235 344 1HZ LYS 46 1HZ LYS 46 3.797 -19.725 -0.169 345 2HZ LYS 46 2HZ LYS 46 3.218 -21.295 0.073 346 3HZ LYS 46 3HZ LYS 46 3.793 -20.395 1.384 347 H ILE 47 H ILE 47 1.817 -13.029 1.945 348 HA ILE 47 HA ILE 47 -0.830 -12.100 1.592 349 HB ILE 47 HB ILE 47 1.495 -10.764 2.983 350 1HG1 ILE 47 1HG1 ILE 47 -0.790 -12.184 4.318 351 2HG1 ILE 47 2HG1 ILE 47 0.600 -13.093 3.734 352 1HG2 ILE 47 1HG2 ILE 47 0.149 -9.093 3.648 353 2HG2 ILE 47 2HG2 ILE 47 -0.810 -9.545 2.240 354 3HG2 ILE 47 3HG2 ILE 47 -1.246 -10.155 3.836 355 1HD1 ILE 47 1HD1 ILE 47 1.701 -10.994 5.169 356 2HD1 ILE 47 2HD1 ILE 47 0.305 -11.505 6.119 357 3HD1 ILE 47 3HD1 ILE 47 1.552 -12.674 5.685 358 H ALA 48 H ALA 48 2.295 -10.949 0.430 359 HA ALA 48 HA ALA 48 1.408 -8.493 -0.633 360 1HB ALA 48 1HB ALA 48 3.555 -8.213 -1.162 361 2HB ALA 48 2HB ALA 48 3.838 -9.760 -0.363 362 3HB ALA 48 3HB ALA 48 3.602 -9.700 -2.110 363 H ARG 49 H ARG 49 1.438 -11.761 -1.904 364 HA ARG 49 HA ARG 49 1.089 -11.330 -4.602 365 1HB ARG 49 1HB ARG 49 0.071 -13.448 -2.738 366 2HB ARG 49 2HB ARG 49 -0.412 -13.458 -4.429 367 1HG ARG 49 1HG ARG 49 2.150 -13.289 -4.873 368 2HG ARG 49 2HG ARG 49 2.277 -13.906 -3.225 369 1HD ARG 49 1HD ARG 49 2.322 -15.800 -4.633 370 2HD ARG 49 2HD ARG 49 0.704 -15.753 -3.934 371 HE ARG 49 HE ARG 49 0.783 -14.407 -6.433 372 1HH1 ARG 49 1HH1 ARG 49 0.725 -17.576 -4.993 373 2HH1 ARG 49 2HH1 ARG 49 -0.026 -18.327 -6.362 374 1HH2 ARG 49 1HH2 ARG 49 -0.207 -15.385 -8.241 375 2HH2 ARG 49 2HH2 ARG 49 -0.555 -17.080 -8.209 376 H CYS 50 H CYS 50 -1.465 -11.542 -2.127 377 HA CYS 50 HA CYS 50 -3.621 -11.029 -3.844 378 1HB CYS 50 1HB CYS 50 -3.500 -11.795 -1.310 379 2HB CYS 50 2HB CYS 50 -3.711 -10.073 -1.016 380 HG CYS 50 HG CYS 50 -5.905 -11.138 -3.244 381 H VAL 51 H VAL 51 -1.147 -8.983 -2.770 382 HA VAL 51 HA VAL 51 -2.739 -6.581 -3.377 383 HB VAL 51 HB VAL 51 -0.039 -6.482 -2.077 384 1HG1 VAL 51 1HG1 VAL 51 -1.407 -4.476 -2.989 385 2HG1 VAL 51 2HG1 VAL 51 -2.375 -4.695 -1.530 386 3HG1 VAL 51 3HG1 VAL 51 -0.649 -4.353 -1.402 387 1HG2 VAL 51 1HG2 VAL 51 -1.021 -6.650 0.109 388 2HG2 VAL 51 2HG2 VAL 51 -2.637 -6.806 -0.580 389 3HG2 VAL 51 3HG2 VAL 51 -1.453 -8.092 -0.810 390 HA PRO 52 HA PRO 52 -0.109 -6.991 -7.097 391 1HB PRO 52 1HB PRO 52 -1.871 -5.727 -8.730 392 2HB PRO 52 2HB PRO 52 -1.990 -7.446 -8.336 393 1HG PRO 52 1HG PRO 52 -3.480 -5.127 -7.167 394 2HG PRO 52 2HG PRO 52 -4.088 -6.724 -7.640 395 1HD PRO 52 1HD PRO 52 -3.549 -6.073 -5.067 396 2HD PRO 52 2HD PRO 52 -3.346 -7.720 -5.698 397 H SER 53 H SER 53 -0.911 -4.544 -5.053 398 HA SER 53 HA SER 53 0.319 -2.466 -6.737 399 1HB SER 53 1HB SER 53 -1.722 -1.580 -6.044 400 2HB SER 53 2HB SER 53 -1.635 -2.353 -4.462 401 HG SER 53 HG SER 53 -0.370 -0.022 -5.381 402 H LYS 54 H LYS 54 0.280 -3.707 -3.403 403 HA LYS 54 HA LYS 54 2.905 -2.485 -2.948 404 1HB LYS 54 1HB LYS 54 1.226 -3.885 -0.879 405 2HB LYS 54 2HB LYS 54 2.505 -2.705 -0.627 406 1HG LYS 54 1HG LYS 54 0.104 -1.862 -2.157 407 2HG LYS 54 2HG LYS 54 -0.039 -2.062 -0.409 408 1HD LYS 54 1HD LYS 54 1.497 -0.378 0.035 409 2HD LYS 54 2HD LYS 54 2.224 -0.482 -1.570 410 1HE LYS 54 1HE LYS 54 -0.632 0.344 -1.300 411 2HE LYS 54 2HE LYS 54 0.642 1.510 -0.948 412 1HZ LYS 54 1HZ LYS 54 1.209 1.671 -3.102 413 2HZ LYS 54 2HZ LYS 54 -0.360 1.105 -3.380 414 3HZ LYS 54 3HZ LYS 54 0.946 0.031 -3.425 415 H SER 55 H SER 55 4.550 -3.759 -1.813 416 HA SER 55 HA SER 55 4.572 -6.519 -2.811 417 1HB SER 55 1HB SER 55 6.713 -4.518 -2.188 418 2HB SER 55 2HB SER 55 7.100 -6.238 -2.137 419 HG SER 55 HG SER 55 6.768 -6.398 -4.259 420 H LYS 56 H LYS 56 6.059 -7.975 -1.365 421 HA LYS 56 HA LYS 56 4.698 -8.536 0.985 422 1HB LYS 56 1HB LYS 56 6.080 -10.200 -0.099 423 2HB LYS 56 2HB LYS 56 7.527 -9.242 0.187 424 1HG LYS 56 1HG LYS 56 5.868 -10.166 2.492 425 2HG LYS 56 2HG LYS 56 7.004 -11.269 1.711 426 1HD LYS 56 1HD LYS 56 8.630 -9.189 2.009 427 2HD LYS 56 2HD LYS 56 7.519 -8.834 3.334 428 1HE LYS 56 1HE LYS 56 7.921 -11.017 4.298 429 2HE LYS 56 2HE LYS 56 8.942 -11.463 2.932 430 1HZ LYS 56 1HZ LYS 56 9.607 -9.094 4.547 431 2HZ LYS 56 2HZ LYS 56 10.628 -10.081 3.628 432 3HZ LYS 56 3HZ LYS 56 10.024 -10.635 5.107 433 H GLU 57 H GLU 57 7.914 -7.019 0.676 434 HA GLU 57 HA GLU 57 8.429 -6.493 3.318 435 1HB GLU 57 1HB GLU 57 9.074 -4.833 0.881 436 2HB GLU 57 2HB GLU 57 9.724 -4.492 2.479 437 1HG GLU 57 1HG GLU 57 10.803 -6.669 2.524 438 2HG GLU 57 2HG GLU 57 10.124 -7.050 0.943 439 H ASP 58 H ASP 58 6.548 -4.506 1.062 440 HA ASP 58 HA ASP 58 6.020 -2.380 2.818 441 1HB ASP 58 1HB ASP 58 4.494 -3.428 0.431 442 2HB ASP 58 2HB ASP 58 4.043 -1.959 1.291 443 H CYS 59 H CYS 59 4.251 -5.378 2.178 444 HA CYS 59 HA CYS 59 1.947 -4.914 3.622 445 1HB CYS 59 1HB CYS 59 3.522 -7.456 3.218 446 2HB CYS 59 2HB CYS 59 1.953 -7.427 4.014 447 HG CYS 59 HG CYS 59 0.457 -6.985 1.881 448 H ILE 60 H ILE 60 5.045 -6.183 4.806 449 HA ILE 60 HA ILE 60 4.217 -6.511 7.489 450 HB ILE 60 HB ILE 60 6.983 -6.133 6.341 451 1HG1 ILE 60 1HG1 ILE 60 5.917 -8.706 7.428 452 2HG1 ILE 60 2HG1 ILE 60 5.408 -8.192 5.823 453 1HG2 ILE 60 1HG2 ILE 60 7.891 -6.812 8.420 454 2HG2 ILE 60 2HG2 ILE 60 6.736 -5.529 8.775 455 3HG2 ILE 60 3HG2 ILE 60 6.298 -7.213 9.063 456 1HD1 ILE 60 1HD1 ILE 60 8.037 -9.138 6.770 457 2HD1 ILE 60 2HD1 ILE 60 7.219 -9.396 5.229 458 3HD1 ILE 60 3HD1 ILE 60 8.037 -7.867 5.548 459 H ALA 61 H ALA 61 5.941 -3.888 5.830 460 HA ALA 61 HA ALA 61 6.415 -2.253 8.038 461 1HB ALA 61 1HB ALA 61 5.745 -0.991 5.430 462 2HB ALA 61 2HB ALA 61 7.068 -0.650 6.546 463 3HB ALA 61 3HB ALA 61 7.134 -2.074 5.507 464 H ARG 62 H ARG 62 3.497 -2.854 6.256 465 HA ARG 62 HA ARG 62 2.116 -0.544 7.315 466 1HB ARG 62 1HB ARG 62 1.656 -1.530 5.045 467 2HB ARG 62 2HB ARG 62 0.939 -2.913 5.860 468 1HG ARG 62 1HG ARG 62 -0.854 -1.527 5.252 469 2HG ARG 62 2HG ARG 62 -0.624 -1.273 6.983 470 1HD ARG 62 1HD ARG 62 0.801 0.725 6.361 471 2HD ARG 62 2HD ARG 62 0.200 0.524 4.715 472 HE ARG 62 HE ARG 62 -2.054 0.615 6.240 473 1HH1 ARG 62 1HH1 ARG 62 0.712 2.691 5.841 474 2HH1 ARG 62 2HH1 ARG 62 -0.164 4.144 6.191 475 1HH2 ARG 62 1HH2 ARG 62 -3.219 2.521 6.702 476 2HH2 ARG 62 2HH2 ARG 62 -2.400 4.046 6.681 477 H TYR 63 H TYR 63 2.059 -4.058 7.789 478 HA TYR 63 HA TYR 63 -0.036 -4.314 9.544 479 1HB TYR 63 1HB TYR 63 1.177 -6.242 8.702 480 2HB TYR 63 2HB TYR 63 2.618 -5.763 9.592 481 HD1 TYR 63 HD1 TYR 63 -0.816 -7.072 9.930 482 HD2 TYR 63 HD2 TYR 63 2.868 -6.280 11.907 483 HE1 TYR 63 HE1 TYR 63 -1.568 -8.409 11.853 484 HE2 TYR 63 HE2 TYR 63 2.126 -7.616 13.835 485 HH TYR 63 HH TYR 63 -0.076 -9.773 13.841 486 H LYS 64 H LYS 64 3.187 -3.088 10.167 487 HA LYS 64 HA LYS 64 3.284 -3.154 12.927 488 1HB LYS 64 1HB LYS 64 4.362 -1.164 10.941 489 2HB LYS 64 2HB LYS 64 4.659 -0.998 12.666 490 1HG LYS 64 1HG LYS 64 6.070 -2.784 12.741 491 2HG LYS 64 2HG LYS 64 5.277 -3.608 11.396 492 1HD LYS 64 1HD LYS 64 6.205 -1.677 9.958 493 2HD LYS 64 2HD LYS 64 7.277 -1.373 11.327 494 1HE LYS 64 1HE LYS 64 7.728 -3.955 11.124 495 2HE LYS 64 2HE LYS 64 7.169 -3.704 9.471 496 1HZ LYS 64 1HZ LYS 64 9.610 -3.498 9.775 497 2HZ LYS 64 2HZ LYS 64 9.344 -2.127 10.728 498 3HZ LYS 64 3HZ LYS 64 8.889 -2.125 9.099 499 H LEU 65 H LEU 65 1.800 -0.702 10.836 500 HA LEU 65 HA LEU 65 0.934 0.943 13.001 501 1HB LEU 65 1HB LEU 65 -0.055 0.842 10.155 502 2HB LEU 65 2HB LEU 65 -0.360 2.134 11.313 503 HG LEU 65 HG LEU 65 2.302 2.216 11.323 504 1HD1 LEU 65 1HD1 LEU 65 1.714 0.443 9.182 505 2HD1 LEU 65 2HD1 LEU 65 3.281 1.051 9.714 506 3HD1 LEU 65 3HD1 LEU 65 2.354 1.941 8.507 507 1HD2 LEU 65 1HD2 LEU 65 2.158 4.065 9.801 508 2HD2 LEU 65 2HD2 LEU 65 0.698 4.038 10.791 509 3HD2 LEU 65 3HD2 LEU 65 0.648 3.452 9.127 510 H LEU 66 H LEU 66 -0.546 -1.604 11.067 511 HA LEU 66 HA LEU 66 -3.194 -1.327 11.857 512 1HB LEU 66 1HB LEU 66 -1.513 -3.586 10.912 513 2HB LEU 66 2HB LEU 66 -3.087 -3.965 11.607 514 HG LEU 66 HG LEU 66 -3.864 -2.112 9.859 515 1HD1 LEU 66 1HD1 LEU 66 -1.732 -3.411 8.239 516 2HD1 LEU 66 2HD1 LEU 66 -1.323 -1.995 9.207 517 3HD1 LEU 66 3HD1 LEU 66 -2.583 -1.888 7.977 518 1HD2 LEU 66 1HD2 LEU 66 -4.992 -3.905 9.205 519 2HD2 LEU 66 2HD2 LEU 66 -3.812 -4.959 9.985 520 3HD2 LEU 66 3HD2 LEU 66 -3.577 -4.459 8.309 521 H VAL 67 H VAL 67 -0.548 -3.082 13.426 522 HA VAL 67 HA VAL 67 -2.242 -3.923 15.616 523 HB VAL 67 HB VAL 67 -0.165 -4.874 16.571 524 1HG1 VAL 67 1HG1 VAL 67 0.081 -6.639 14.976 525 2HG1 VAL 67 2HG1 VAL 67 -1.602 -6.109 14.943 526 3HG1 VAL 67 3HG1 VAL 67 -0.493 -5.607 13.666 527 1HG2 VAL 67 1HG2 VAL 67 1.389 -3.183 15.689 528 2HG2 VAL 67 2HG2 VAL 67 1.905 -4.825 15.301 529 3HG2 VAL 67 3HG2 VAL 67 1.145 -3.824 14.063 530 H SER 68 H SER 68 0.231 -1.500 14.998 531 HA SER 68 HA SER 68 0.904 -0.640 17.497 532 1HB SER 68 1HB SER 68 1.800 0.325 15.403 533 2HB SER 68 2HB SER 68 0.268 1.158 15.144 534 HG SER 68 HG SER 68 2.328 1.732 16.899 535 H GLY 69 H GLY 69 -2.026 0.211 15.686 536 1HA GLY 69 1HA GLY 69 -3.417 0.722 18.177 537 2HA GLY 69 2HA GLY 69 -3.201 2.134 17.155 538 HA PRO 70 HA PRO 70 -6.109 -1.041 14.883 539 1HB PRO 70 1HB PRO 70 -7.389 -2.762 16.547 540 2HB PRO 70 2HB PRO 70 -5.851 -3.146 15.766 541 1HG PRO 70 1HG PRO 70 -6.371 -2.184 18.552 542 2HG PRO 70 2HG PRO 70 -5.259 -3.448 17.994 543 1HD PRO 70 1HD PRO 70 -4.427 -0.948 18.619 544 2HD PRO 70 2HD PRO 70 -3.649 -1.927 17.359 545 H SER 71 H SER 71 -6.490 0.860 17.610 546 HA SER 71 HA SER 71 -9.371 0.872 17.696 547 1HB SER 71 1HB SER 71 -9.079 2.718 19.319 548 2HB SER 71 2HB SER 71 -8.101 1.311 19.738 549 HG SER 71 HG SER 71 -7.142 3.571 18.313 550 H SER 72 H SER 72 -10.465 1.725 16.054 551 HA SER 72 HA SER 72 -9.510 3.496 14.144 552 1HB SER 72 1HB SER 72 -11.652 2.082 14.101 553 2HB SER 72 2HB SER 72 -12.406 3.411 14.982 554 HG SER 72 HG SER 72 -11.800 3.214 12.346 555 H GLY 73 H GLY 73 -11.542 4.229 16.982 556 1HA GLY 73 1HA GLY 73 -10.556 6.307 18.160 557 2HA GLY 73 2HA GLY 73 -10.901 7.077 16.618 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -3.643 13.147 -34.400 2 1HA GLY 1 1HA GLY 1 -6.349 12.354 -34.946 3 2HA GLY 1 2HA GLY 1 -4.997 12.290 -36.066 4 H SER 2 H SER 2 -6.043 10.683 -33.058 5 HA SER 2 HA SER 2 -6.034 8.498 -32.425 6 1HB SER 2 1HB SER 2 -6.568 8.385 -35.352 7 2HB SER 2 2HB SER 2 -6.150 6.873 -34.546 8 HG SER 2 HG SER 2 -8.048 8.490 -33.310 9 H SER 3 H SER 3 -3.552 9.693 -32.499 10 HA SER 3 HA SER 3 -1.750 7.723 -33.706 11 1HB SER 3 1HB SER 3 0.040 9.358 -33.134 12 2HB SER 3 2HB SER 3 -1.201 10.040 -34.185 13 HG SER 3 HG SER 3 -1.698 11.412 -32.674 14 H GLY 4 H GLY 4 -0.129 6.678 -32.489 15 1HA GLY 4 1HA GLY 4 -0.969 5.849 -29.896 16 2HA GLY 4 2HA GLY 4 0.532 5.401 -30.692 17 H SER 5 H SER 5 1.646 5.599 -28.704 18 HA SER 5 HA SER 5 1.990 8.374 -27.775 19 1HB SER 5 1HB SER 5 2.074 5.743 -26.336 20 2HB SER 5 2HB SER 5 2.981 7.116 -25.701 21 HG SER 5 HG SER 5 0.892 7.048 -24.816 22 H SER 6 H SER 6 4.060 9.176 -27.433 23 HA SER 6 HA SER 6 6.284 7.510 -28.400 24 1HB SER 6 1HB SER 6 5.395 9.221 -30.103 25 2HB SER 6 2HB SER 6 6.086 10.449 -29.042 26 HG SER 6 HG SER 6 8.025 8.846 -29.277 27 H GLY 7 H GLY 7 7.467 7.195 -26.617 28 1HA GLY 7 1HA GLY 7 9.280 8.258 -25.334 29 2HA GLY 7 2HA GLY 7 8.166 9.579 -25.016 30 H SER 8 H SER 8 9.233 8.720 -22.831 31 HA SER 8 HA SER 8 7.204 6.968 -21.613 32 1HB SER 8 1HB SER 8 10.192 6.893 -21.334 33 2HB SER 8 2HB SER 8 9.169 6.341 -20.008 34 HG SER 8 HG SER 8 8.689 5.398 -22.608 35 H LEU 9 H LEU 9 6.054 8.057 -20.175 36 HA LEU 9 HA LEU 9 7.189 10.443 -18.924 37 1HB LEU 9 1HB LEU 9 4.438 9.413 -19.404 38 2HB LEU 9 2HB LEU 9 4.699 10.511 -18.050 39 HG LEU 9 HG LEU 9 3.896 11.663 -20.069 40 1HD1 LEU 9 1HD1 LEU 9 6.336 12.286 -18.613 41 2HD1 LEU 9 2HD1 LEU 9 4.958 13.312 -19.010 42 3HD1 LEU 9 3HD1 LEU 9 6.250 13.075 -20.188 43 1HD2 LEU 9 1HD2 LEU 9 4.773 10.390 -21.846 44 2HD2 LEU 9 2HD2 LEU 9 6.425 10.543 -21.247 45 3HD2 LEU 9 3HD2 LEU 9 5.600 11.946 -21.927 46 H ARG 10 H ARG 10 8.124 10.242 -17.010 47 HA ARG 10 HA ARG 10 7.401 8.005 -15.273 48 1HB ARG 10 1HB ARG 10 9.755 9.833 -15.487 49 2HB ARG 10 2HB ARG 10 9.420 9.063 -13.942 50 1HG ARG 10 1HG ARG 10 9.694 7.527 -16.510 51 2HG ARG 10 2HG ARG 10 11.052 7.873 -15.437 52 1HD ARG 10 1HD ARG 10 10.233 6.518 -13.751 53 2HD ARG 10 2HD ARG 10 8.575 6.611 -14.343 54 HE ARG 10 HE ARG 10 10.476 4.644 -15.011 55 1HH1 ARG 10 1HH1 ARG 10 7.996 6.612 -16.458 56 2HH1 ARG 10 2HH1 ARG 10 7.643 5.473 -17.715 57 1HH2 ARG 10 1HH2 ARG 10 10.020 3.136 -16.661 58 2HH2 ARG 10 2HH2 ARG 10 8.794 3.496 -17.829 59 H LYS 11 H LYS 11 6.029 8.275 -13.653 60 HA LYS 11 HA LYS 11 5.221 10.941 -12.854 61 1HB LYS 11 1HB LYS 11 4.201 8.175 -12.419 62 2HB LYS 11 2HB LYS 11 3.766 9.404 -11.238 63 1HG LYS 11 1HG LYS 11 2.645 10.703 -12.856 64 2HG LYS 11 2HG LYS 11 3.331 9.769 -14.187 65 1HD LYS 11 1HD LYS 11 2.106 7.773 -12.999 66 2HD LYS 11 2HD LYS 11 1.123 9.066 -12.307 67 1HE LYS 11 1HE LYS 11 1.007 9.867 -14.809 68 2HE LYS 11 2HE LYS 11 1.382 8.176 -15.141 69 1HZ LYS 11 1HZ LYS 11 -1.092 9.269 -14.538 70 2HZ LYS 11 2HZ LYS 11 -0.654 8.342 -13.193 71 3HZ LYS 11 3HZ LYS 11 -0.709 7.632 -14.728 72 H GLU 12 H GLU 12 5.889 11.991 -11.093 73 HA GLU 12 HA GLU 12 8.008 10.989 -9.506 74 1HB GLU 12 1HB GLU 12 7.740 13.053 -8.199 75 2HB GLU 12 2HB GLU 12 7.747 13.375 -9.928 76 1HG GLU 12 1HG GLU 12 5.326 13.578 -9.918 77 2HG GLU 12 2HG GLU 12 5.291 13.210 -8.195 78 H ARG 13 H ARG 13 4.537 11.338 -8.954 79 HA ARG 13 HA ARG 13 4.242 10.897 -6.304 80 1HB ARG 13 1HB ARG 13 2.299 11.148 -7.662 81 2HB ARG 13 2HB ARG 13 2.679 9.703 -8.589 82 1HG ARG 13 1HG ARG 13 1.000 8.954 -7.215 83 2HG ARG 13 2HG ARG 13 2.439 8.493 -6.302 84 1HD ARG 13 1HD ARG 13 2.146 10.177 -4.741 85 2HD ARG 13 2HD ARG 13 1.159 11.151 -5.829 86 HE ARG 13 HE ARG 13 -0.162 8.729 -5.240 87 1HH1 ARG 13 1HH1 ARG 13 0.713 11.772 -3.792 88 2HH1 ARG 13 2HH1 ARG 13 -0.622 11.778 -2.687 89 1HH2 ARG 13 1HH2 ARG 13 -1.924 8.727 -3.791 90 2HH2 ARG 13 2HH2 ARG 13 -2.120 10.045 -2.687 91 H ALA 14 H ALA 14 4.615 8.292 -8.710 92 HA ALA 14 HA ALA 14 4.616 6.127 -6.989 93 1HB ALA 14 1HB ALA 14 5.229 4.892 -8.781 94 2HB ALA 14 2HB ALA 14 4.854 6.384 -9.644 95 3HB ALA 14 3HB ALA 14 6.526 5.997 -9.238 96 H ARG 15 H ARG 15 7.371 8.113 -8.033 97 HA ARG 15 HA ARG 15 9.461 6.772 -6.886 98 1HB ARG 15 1HB ARG 15 9.064 9.770 -6.903 99 2HB ARG 15 2HB ARG 15 10.600 8.940 -6.690 100 1HG ARG 15 1HG ARG 15 10.513 8.079 -8.926 101 2HG ARG 15 2HG ARG 15 8.881 8.713 -9.149 102 1HD ARG 15 1HD ARG 15 10.242 10.274 -10.223 103 2HD ARG 15 2HD ARG 15 9.917 11.005 -8.651 104 HE ARG 15 HE ARG 15 12.239 9.661 -8.259 105 1HH1 ARG 15 1HH1 ARG 15 11.175 12.011 -10.598 106 2HH1 ARG 15 2HH1 ARG 15 12.753 12.687 -10.830 107 1HH2 ARG 15 1HH2 ARG 15 14.322 10.543 -8.556 108 2HH2 ARG 15 2HH2 ARG 15 14.543 11.851 -9.669 109 H SER 16 H SER 16 7.041 8.746 -5.295 110 HA SER 16 HA SER 16 8.061 9.334 -2.871 111 1HB SER 16 1HB SER 16 5.777 9.873 -3.326 112 2HB SER 16 2HB SER 16 5.344 8.173 -3.504 113 HG SER 16 HG SER 16 5.938 7.954 -1.243 114 H ALA 17 H ALA 17 8.983 8.293 -1.233 115 HA ALA 17 HA ALA 17 9.381 5.471 -1.323 116 1HB ALA 17 1HB ALA 17 10.497 5.849 0.901 117 2HB ALA 17 2HB ALA 17 11.145 6.790 -0.443 118 3HB ALA 17 3HB ALA 17 10.077 7.554 0.735 119 H GLU 18 H GLU 18 7.464 7.626 0.744 120 HA GLU 18 HA GLU 18 6.122 5.251 1.854 121 1HB GLU 18 1HB GLU 18 6.858 7.888 3.014 122 2HB GLU 18 2HB GLU 18 5.349 7.164 3.554 123 1HG GLU 18 1HG GLU 18 6.417 5.334 4.501 124 2HG GLU 18 2HG GLU 18 7.890 5.589 3.568 125 H GLU 19 H GLU 19 4.582 5.004 0.241 126 HA GLU 19 HA GLU 19 2.782 7.259 -0.270 127 1HB GLU 19 1HB GLU 19 3.312 4.665 -1.689 128 2HB GLU 19 2HB GLU 19 1.839 5.572 -2.001 129 1HG GLU 19 1HG GLU 19 4.425 7.017 -2.155 130 2HG GLU 19 2HG GLU 19 4.014 5.897 -3.453 131 HA PRO 20 HA PRO 20 -0.514 5.671 2.151 132 1HB PRO 20 1HB PRO 20 -2.674 6.348 0.652 133 2HB PRO 20 2HB PRO 20 -1.712 7.534 1.542 134 1HG PRO 20 1HG PRO 20 -1.614 6.810 -1.361 135 2HG PRO 20 2HG PRO 20 -1.555 8.413 -0.605 136 1HD PRO 20 1HD PRO 20 0.663 7.137 -1.491 137 2HD PRO 20 2HD PRO 20 0.684 8.225 -0.088 138 H TRP 21 H TRP 21 -2.627 4.350 1.924 139 HA TRP 21 HA TRP 21 -2.188 2.179 -0.021 140 1HB TRP 21 1HB TRP 21 -2.933 2.061 2.892 141 2HB TRP 21 2HB TRP 21 -3.327 0.737 1.799 142 HD1 TRP 21 HD1 TRP 21 -0.084 2.788 2.467 143 HE1 TRP 21 HE1 TRP 21 1.869 1.122 2.656 144 HE3 TRP 21 HE3 TRP 21 -2.662 -1.568 1.751 145 HZ2 TRP 21 HZ2 TRP 21 2.264 -1.670 2.519 146 HZ3 TRP 21 HZ3 TRP 21 -1.423 -3.693 1.794 147 HH2 TRP 21 HH2 TRP 21 0.989 -3.741 2.170 148 H THR 22 H THR 22 -3.747 2.184 -1.490 149 HA THR 22 HA THR 22 -6.132 3.578 -1.391 150 HB THR 22 HB THR 22 -6.815 2.425 -3.336 151 HG1 THR 22 HG1 THR 22 -6.262 0.353 -3.780 152 1HG2 THR 22 1HG2 THR 22 -3.956 1.913 -3.802 153 2HG2 THR 22 2HG2 THR 22 -4.332 3.519 -3.176 154 3HG2 THR 22 3HG2 THR 22 -5.078 2.958 -4.672 155 H GLN 23 H GLN 23 -8.364 2.621 -1.483 156 HA GLN 23 HA GLN 23 -8.966 1.350 0.952 157 1HB GLN 23 1HB GLN 23 -11.276 1.102 -0.073 158 2HB GLN 23 2HB GLN 23 -10.637 2.738 0.018 159 1HG GLN 23 1HG GLN 23 -10.172 2.792 -2.292 160 2HG GLN 23 2HG GLN 23 -10.411 1.053 -2.455 161 1HE2 GLN 23 1HE2 GLN 23 -12.368 0.319 -2.974 162 2HE2 GLN 23 2HE2 GLN 23 -13.800 1.280 -3.067 163 H ASN 24 H ASN 24 -8.754 0.125 -2.358 164 HA ASN 24 HA ASN 24 -9.667 -2.492 -1.769 165 1HB ASN 24 1HB ASN 24 -9.344 -1.224 -4.065 166 2HB ASN 24 2HB ASN 24 -7.759 -1.991 -4.015 167 1HD2 ASN 24 1HD2 ASN 24 -10.995 -3.072 -3.049 168 2HD2 ASN 24 2HD2 ASN 24 -10.995 -4.498 -4.025 169 H GLN 25 H GLN 25 -6.451 -1.032 -1.939 170 HA GLN 25 HA GLN 25 -4.969 -3.399 -1.597 171 1HB GLN 25 1HB GLN 25 -4.424 -0.488 -1.279 172 2HB GLN 25 2HB GLN 25 -3.286 -1.618 -0.557 173 1HG GLN 25 1HG GLN 25 -2.532 -0.991 -2.750 174 2HG GLN 25 2HG GLN 25 -2.992 -2.692 -2.745 175 1HE2 GLN 25 1HE2 GLN 25 -3.188 0.106 -4.441 176 2HE2 GLN 25 2HE2 GLN 25 -4.586 -0.229 -5.399 177 H GLN 26 H GLN 26 -5.735 -0.873 0.806 178 HA GLN 26 HA GLN 26 -4.729 -2.077 3.054 179 1HB GLN 26 1HB GLN 26 -5.720 0.209 2.936 180 2HB GLN 26 2HB GLN 26 -7.319 -0.524 2.938 181 1HG GLN 26 1HG GLN 26 -6.741 0.269 5.146 182 2HG GLN 26 2HG GLN 26 -6.878 -1.489 5.136 183 1HE2 GLN 26 1HE2 GLN 26 -4.941 -2.736 5.163 184 2HE2 GLN 26 2HE2 GLN 26 -3.490 -2.084 5.837 185 H LYS 27 H LYS 27 -7.551 -2.943 1.245 186 HA LYS 27 HA LYS 27 -8.662 -4.611 3.328 187 1HB LYS 27 1HB LYS 27 -10.397 -3.865 2.040 188 2HB LYS 27 2HB LYS 27 -9.429 -3.820 0.572 189 1HG LYS 27 1HG LYS 27 -9.540 -6.304 0.499 190 2HG LYS 27 2HG LYS 27 -10.655 -6.244 1.866 191 1HD LYS 27 1HD LYS 27 -11.275 -4.562 -0.503 192 2HD LYS 27 2HD LYS 27 -11.506 -6.306 -0.649 193 1HE LYS 27 1HE LYS 27 -12.791 -6.098 1.575 194 2HE LYS 27 2HE LYS 27 -12.843 -4.374 1.214 195 1HZ LYS 27 1HZ LYS 27 -14.766 -5.071 0.240 196 2HZ LYS 27 2HZ LYS 27 -14.164 -6.600 -0.159 197 3HZ LYS 27 3HZ LYS 27 -13.715 -5.249 -1.074 198 H LEU 28 H LEU 28 -7.461 -5.273 0.031 199 HA LEU 28 HA LEU 28 -7.395 -7.992 0.066 200 1HB LEU 28 1HB LEU 28 -5.362 -6.097 -1.095 201 2HB LEU 28 2HB LEU 28 -5.399 -7.825 -1.439 202 HG LEU 28 HG LEU 28 -7.640 -5.911 -2.081 203 1HD1 LEU 28 1HD1 LEU 28 -6.771 -5.530 -4.126 204 2HD1 LEU 28 2HD1 LEU 28 -6.031 -7.127 -4.231 205 3HD1 LEU 28 3HD1 LEU 28 -5.246 -5.852 -3.299 206 1HD2 LEU 28 1HD2 LEU 28 -7.631 -8.257 -3.666 207 2HD2 LEU 28 2HD2 LEU 28 -8.835 -7.734 -2.488 208 3HD2 LEU 28 3HD2 LEU 28 -7.484 -8.749 -1.979 209 H LEU 29 H LEU 29 -5.047 -5.806 1.534 210 HA LEU 29 HA LEU 29 -3.153 -7.762 2.269 211 1HB LEU 29 1HB LEU 29 -2.460 -5.508 2.273 212 2HB LEU 29 2HB LEU 29 -3.789 -5.022 3.323 213 HG LEU 29 HG LEU 29 -2.698 -6.364 5.150 214 1HD1 LEU 29 1HD1 LEU 29 -1.261 -7.851 4.111 215 2HD1 LEU 29 2HD1 LEU 29 -0.161 -6.613 4.716 216 3HD1 LEU 29 3HD1 LEU 29 -0.621 -6.628 3.013 217 1HD2 LEU 29 1HD2 LEU 29 -1.051 -4.109 4.009 218 2HD2 LEU 29 2HD2 LEU 29 -1.099 -4.638 5.691 219 3HD2 LEU 29 3HD2 LEU 29 -2.526 -3.906 4.956 220 H GLU 30 H GLU 30 -5.528 -6.074 4.334 221 HA GLU 30 HA GLU 30 -5.228 -7.461 6.656 222 1HB GLU 30 1HB GLU 30 -7.757 -6.432 5.375 223 2HB GLU 30 2HB GLU 30 -7.714 -7.081 7.008 224 1HG GLU 30 1HG GLU 30 -6.329 -5.343 7.776 225 2HG GLU 30 2HG GLU 30 -5.945 -4.821 6.136 226 H LEU 31 H LEU 31 -7.648 -8.335 4.182 227 HA LEU 31 HA LEU 31 -8.496 -10.722 5.250 228 1HB LEU 31 1HB LEU 31 -8.225 -9.770 2.424 229 2HB LEU 31 2HB LEU 31 -8.824 -11.390 2.774 230 HG LEU 31 HG LEU 31 -10.654 -9.836 2.362 231 1HD1 LEU 31 1HD1 LEU 31 -11.752 -11.170 3.752 232 2HD1 LEU 31 2HD1 LEU 31 -11.371 -10.051 5.060 233 3HD1 LEU 31 3HD1 LEU 31 -10.307 -11.418 4.732 234 1HD2 LEU 31 1HD2 LEU 31 -9.600 -8.335 4.757 235 2HD2 LEU 31 2HD2 LEU 31 -11.103 -7.994 3.899 236 3HD2 LEU 31 3HD2 LEU 31 -9.554 -7.779 3.084 237 H ALA 32 H ALA 32 -5.559 -10.048 3.471 238 HA ALA 32 HA ALA 32 -4.831 -12.780 3.057 239 1HB ALA 32 1HB ALA 32 -3.980 -10.421 2.014 240 2HB ALA 32 2HB ALA 32 -2.659 -10.808 3.118 241 3HB ALA 32 3HB ALA 32 -3.121 -11.954 1.859 242 H LEU 33 H LEU 33 -4.112 -10.348 5.507 243 HA LEU 33 HA LEU 33 -2.050 -11.597 6.868 244 1HB LEU 33 1HB LEU 33 -4.181 -9.672 7.589 245 2HB LEU 33 2HB LEU 33 -3.347 -10.473 8.919 246 HG LEU 33 HG LEU 33 -2.473 -8.198 8.225 247 1HD1 LEU 33 1HD1 LEU 33 -0.855 -10.676 8.535 248 2HD1 LEU 33 2HD1 LEU 33 -1.025 -9.293 9.616 249 3HD1 LEU 33 3HD1 LEU 33 -0.030 -9.162 8.165 250 1HD2 LEU 33 1HD2 LEU 33 -0.783 -9.284 6.147 251 2HD2 LEU 33 2HD2 LEU 33 -1.759 -7.814 6.153 252 3HD2 LEU 33 3HD2 LEU 33 -2.487 -9.355 5.697 253 H GLN 34 H GLN 34 -5.524 -12.157 7.068 254 HA GLN 34 HA GLN 34 -5.442 -13.907 9.293 255 1HB GLN 34 1HB GLN 34 -7.494 -13.793 7.078 256 2HB GLN 34 2HB GLN 34 -7.712 -14.523 8.663 257 1HG GLN 34 1HG GLN 34 -7.107 -12.108 9.498 258 2HG GLN 34 2HG GLN 34 -7.653 -11.657 7.884 259 1HE2 GLN 34 1HE2 GLN 34 -9.804 -12.506 7.249 260 2HE2 GLN 34 2HE2 GLN 34 -11.035 -12.565 8.459 261 H GLN 35 H GLN 35 -5.667 -14.539 5.795 262 HA GLN 35 HA GLN 35 -5.594 -17.338 5.972 263 1HB GLN 35 1HB GLN 35 -4.810 -15.440 3.765 264 2HB GLN 35 2HB GLN 35 -4.768 -17.187 3.571 265 1HG GLN 35 1HG GLN 35 -7.137 -17.336 3.963 266 2HG GLN 35 2HG GLN 35 -7.219 -15.611 4.319 267 1HE2 GLN 35 1HE2 GLN 35 -6.250 -14.233 2.487 268 2HE2 GLN 35 2HE2 GLN 35 -6.768 -14.650 0.893 269 H TYR 36 H TYR 36 -3.020 -14.940 5.748 270 HA TYR 36 HA TYR 36 -1.093 -17.061 6.411 271 1HB TYR 36 1HB TYR 36 -0.270 -14.754 4.684 272 2HB TYR 36 2HB TYR 36 0.463 -16.346 4.835 273 HD1 TYR 36 HD1 TYR 36 -2.406 -14.502 3.405 274 HD2 TYR 36 HD2 TYR 36 -0.194 -18.136 3.424 275 HE1 TYR 36 HE1 TYR 36 -3.617 -15.242 1.396 276 HE2 TYR 36 HE2 TYR 36 -1.397 -18.886 1.414 277 HH TYR 36 HH TYR 36 -2.964 -17.013 -0.598 278 HA PRO 37 HA PRO 37 -0.699 -13.935 9.680 279 1HB PRO 37 1HB PRO 37 0.376 -15.659 11.480 280 2HB PRO 37 2HB PRO 37 -1.363 -15.538 11.186 281 1HG PRO 37 1HG PRO 37 0.603 -17.533 10.128 282 2HG PRO 37 2HG PRO 37 -1.035 -17.799 10.753 283 1HD PRO 37 1HD PRO 37 -0.483 -17.711 8.103 284 2HD PRO 37 2HD PRO 37 -2.029 -17.156 8.775 285 H ARG 38 H ARG 38 1.411 -14.073 11.403 286 HA ARG 38 HA ARG 38 3.698 -13.683 9.600 287 1HB ARG 38 1HB ARG 38 4.627 -12.269 11.407 288 2HB ARG 38 2HB ARG 38 3.073 -11.689 10.824 289 1HG ARG 38 1HG ARG 38 3.074 -13.502 13.170 290 2HG ARG 38 2HG ARG 38 3.642 -11.847 13.399 291 1HD ARG 38 1HD ARG 38 1.589 -10.935 12.952 292 2HD ARG 38 2HD ARG 38 1.099 -12.277 11.918 293 HE ARG 38 HE ARG 38 1.376 -13.051 14.655 294 1HH1 ARG 38 1HH1 ARG 38 -0.751 -11.529 12.357 295 2HH1 ARG 38 2HH1 ARG 38 -2.192 -11.921 13.235 296 1HH2 ARG 38 1HH2 ARG 38 -0.514 -13.573 15.820 297 2HH2 ARG 38 2HH2 ARG 38 -2.056 -13.083 15.205 298 H GLY 39 H GLY 39 5.867 -13.904 10.973 299 1HA GLY 39 1HA GLY 39 6.581 -15.399 12.963 300 2HA GLY 39 2HA GLY 39 5.809 -16.656 12.008 301 H SER 40 H SER 40 6.741 -15.359 9.487 302 HA SER 40 HA SER 40 9.590 -15.348 9.519 303 1HB SER 40 1HB SER 40 10.028 -17.416 8.354 304 2HB SER 40 2HB SER 40 9.117 -17.792 9.816 305 HG SER 40 HG SER 40 7.526 -17.294 7.647 306 H SER 41 H SER 41 10.399 -15.628 7.118 307 HA SER 41 HA SER 41 8.844 -13.739 5.567 308 1HB SER 41 1HB SER 41 11.500 -15.033 4.906 309 2HB SER 41 2HB SER 41 10.784 -13.640 4.097 310 HG SER 41 HG SER 41 10.979 -12.487 6.044 311 H ASP 42 H ASP 42 7.753 -16.400 5.936 312 HA ASP 42 HA ASP 42 7.827 -17.409 3.171 313 1HB ASP 42 1HB ASP 42 8.536 -19.011 4.949 314 2HB ASP 42 2HB ASP 42 6.927 -18.881 5.655 315 H CYS 43 H CYS 43 5.746 -16.409 5.816 316 HA CYS 43 HA CYS 43 3.308 -16.994 4.414 317 1HB CYS 43 1HB CYS 43 3.883 -15.428 6.933 318 2HB CYS 43 2HB CYS 43 2.261 -15.690 6.302 319 HG CYS 43 HG CYS 43 1.894 -17.940 7.465 320 H TRP 44 H TRP 44 4.568 -13.890 5.641 321 HA TRP 44 HA TRP 44 3.010 -12.100 4.421 322 1HB TRP 44 1HB TRP 44 6.031 -11.967 4.519 323 2HB TRP 44 2HB TRP 44 4.976 -10.592 4.206 324 HD1 TRP 44 HD1 TRP 44 6.486 -12.578 6.998 325 HE1 TRP 44 HE1 TRP 44 5.679 -11.654 9.261 326 HE3 TRP 44 HE3 TRP 44 2.772 -9.484 5.334 327 HZ2 TRP 44 HZ2 TRP 44 3.726 -9.853 10.215 328 HZ3 TRP 44 HZ3 TRP 44 1.481 -8.196 6.986 329 HH2 TRP 44 HH2 TRP 44 1.950 -8.379 9.376 330 H ASP 45 H ASP 45 5.792 -13.622 2.801 331 HA ASP 45 HA ASP 45 5.872 -12.511 0.381 332 1HB ASP 45 1HB ASP 45 6.902 -14.774 1.316 333 2HB ASP 45 2HB ASP 45 5.620 -15.484 0.338 334 H LYS 46 H LYS 46 3.439 -14.943 1.287 335 HA LYS 46 HA LYS 46 2.041 -14.833 -1.178 336 1HB LYS 46 1HB LYS 46 1.548 -15.995 1.515 337 2HB LYS 46 2HB LYS 46 0.151 -15.763 0.472 338 1HG LYS 46 1HG LYS 46 0.825 -17.345 -1.023 339 2HG LYS 46 2HG LYS 46 2.538 -17.105 -0.675 340 1HD LYS 46 1HD LYS 46 2.423 -18.374 1.303 341 2HD LYS 46 2HD LYS 46 0.659 -18.308 1.340 342 1HE LYS 46 1HE LYS 46 0.728 -19.603 -0.851 343 2HE LYS 46 2HE LYS 46 2.433 -19.888 -0.504 344 1HZ LYS 46 1HZ LYS 46 1.774 -21.614 0.695 345 2HZ LYS 46 2HZ LYS 46 0.144 -21.180 0.574 346 3HZ LYS 46 3HZ LYS 46 1.101 -20.535 1.810 347 H ILE 47 H ILE 47 1.448 -13.332 1.988 348 HA ILE 47 HA ILE 47 -0.939 -12.087 1.590 349 HB ILE 47 HB ILE 47 1.499 -10.935 2.947 350 1HG1 ILE 47 1HG1 ILE 47 -0.935 -12.157 4.235 351 2HG1 ILE 47 2HG1 ILE 47 0.443 -13.138 3.748 352 1HG2 ILE 47 1HG2 ILE 47 -0.865 -9.608 2.252 353 2HG2 ILE 47 2HG2 ILE 47 -1.005 -9.971 3.971 354 3HG2 ILE 47 3HG2 ILE 47 0.383 -9.063 3.372 355 1HD1 ILE 47 1HD1 ILE 47 1.498 -12.628 5.618 356 2HD1 ILE 47 2HD1 ILE 47 1.368 -10.905 5.261 357 3HD1 ILE 47 3HD1 ILE 47 0.079 -11.723 6.143 358 H ALA 48 H ALA 48 2.233 -10.915 0.513 359 HA ALA 48 HA ALA 48 1.417 -8.471 -0.558 360 1HB ALA 48 1HB ALA 48 3.568 -8.275 -1.099 361 2HB ALA 48 2HB ALA 48 3.795 -9.871 -0.381 362 3HB ALA 48 3HB ALA 48 3.521 -9.716 -2.116 363 H ARG 49 H ARG 49 1.250 -11.716 -1.866 364 HA ARG 49 HA ARG 49 0.866 -11.216 -4.554 365 1HB ARG 49 1HB ARG 49 -0.577 -13.297 -2.902 366 2HB ARG 49 2HB ARG 49 -0.341 -13.333 -4.644 367 1HG ARG 49 1HG ARG 49 1.914 -13.357 -2.654 368 2HG ARG 49 2HG ARG 49 1.187 -14.811 -3.341 369 1HD ARG 49 1HD ARG 49 2.442 -12.589 -4.947 370 2HD ARG 49 2HD ARG 49 3.255 -14.090 -4.506 371 HE ARG 49 HE ARG 49 1.037 -14.967 -5.756 372 1HH1 ARG 49 1HH1 ARG 49 3.460 -12.622 -6.620 373 2HH1 ARG 49 2HH1 ARG 49 3.306 -12.898 -8.323 374 1HH2 ARG 49 1HH2 ARG 49 0.825 -15.339 -7.996 375 2HH2 ARG 49 2HH2 ARG 49 1.807 -14.443 -9.105 376 H CYS 50 H CYS 50 -1.623 -11.379 -2.011 377 HA CYS 50 HA CYS 50 -3.805 -10.758 -3.661 378 1HB CYS 50 1HB CYS 50 -3.665 -11.598 -1.163 379 2HB CYS 50 2HB CYS 50 -3.769 -9.879 -0.804 380 HG CYS 50 HG CYS 50 -6.332 -10.439 -0.524 381 H VAL 51 H VAL 51 -1.233 -8.826 -2.610 382 HA VAL 51 HA VAL 51 -2.750 -6.363 -3.176 383 HB VAL 51 HB VAL 51 -0.092 -6.401 -1.777 384 1HG1 VAL 51 1HG1 VAL 51 -1.307 -4.318 -2.757 385 2HG1 VAL 51 2HG1 VAL 51 -2.321 -4.465 -1.321 386 3HG1 VAL 51 3HG1 VAL 51 -0.580 -4.233 -1.153 387 1HG2 VAL 51 1HG2 VAL 51 -1.627 -7.910 -0.560 388 2HG2 VAL 51 2HG2 VAL 51 -1.207 -6.468 0.365 389 3HG2 VAL 51 3HG2 VAL 51 -2.781 -6.583 -0.423 390 HA PRO 52 HA PRO 52 -0.005 -6.818 -6.818 391 1HB PRO 52 1HB PRO 52 -1.705 -5.549 -8.512 392 2HB PRO 52 2HB PRO 52 -1.845 -7.266 -8.119 393 1HG PRO 52 1HG PRO 52 -3.363 -4.939 -7.006 394 2HG PRO 52 2HG PRO 52 -3.962 -6.535 -7.496 395 1HD PRO 52 1HD PRO 52 -3.509 -5.881 -4.908 396 2HD PRO 52 2HD PRO 52 -3.292 -7.530 -5.528 397 H SER 53 H SER 53 -0.868 -4.362 -4.807 398 HA SER 53 HA SER 53 0.375 -2.273 -6.460 399 1HB SER 53 1HB SER 53 -1.653 -1.399 -5.713 400 2HB SER 53 2HB SER 53 -1.535 -2.199 -4.146 401 HG SER 53 HG SER 53 -0.145 -0.677 -3.455 402 H LYS 54 H LYS 54 0.383 -3.534 -3.131 403 HA LYS 54 HA LYS 54 3.037 -2.353 -2.728 404 1HB LYS 54 1HB LYS 54 1.275 -3.671 -0.661 405 2HB LYS 54 2HB LYS 54 2.681 -2.656 -0.373 406 1HG LYS 54 1HG LYS 54 0.206 -1.646 -1.743 407 2HG LYS 54 2HG LYS 54 0.426 -1.592 0.008 408 1HD LYS 54 1HD LYS 54 2.288 -0.140 -0.179 409 2HD LYS 54 2HD LYS 54 2.414 -0.410 -1.919 410 1HE LYS 54 1HE LYS 54 -0.050 0.550 -1.878 411 2HE LYS 54 2HE LYS 54 0.517 1.292 -0.383 412 1HZ LYS 54 1HZ LYS 54 1.475 2.849 -1.606 413 2HZ LYS 54 2HZ LYS 54 1.032 2.072 -3.041 414 3HZ LYS 54 3HZ LYS 54 2.498 1.687 -2.289 415 H SER 55 H SER 55 4.758 -3.605 -1.857 416 HA SER 55 HA SER 55 4.684 -6.380 -2.762 417 1HB SER 55 1HB SER 55 6.859 -4.406 -2.190 418 2HB SER 55 2HB SER 55 7.231 -6.128 -2.123 419 HG SER 55 HG SER 55 6.312 -6.248 -4.276 420 H LYS 56 H LYS 56 5.936 -7.981 -1.402 421 HA LYS 56 HA LYS 56 4.690 -8.477 0.985 422 1HB LYS 56 1HB LYS 56 6.002 -10.169 -0.157 423 2HB LYS 56 2HB LYS 56 7.484 -9.271 0.145 424 1HG LYS 56 1HG LYS 56 5.801 -10.173 2.439 425 2HG LYS 56 2HG LYS 56 6.877 -11.312 1.627 426 1HD LYS 56 1HD LYS 56 8.601 -9.315 1.953 427 2HD LYS 56 2HD LYS 56 7.519 -8.938 3.295 428 1HE LYS 56 1HE LYS 56 7.826 -11.161 4.206 429 2HE LYS 56 2HE LYS 56 8.820 -11.619 2.823 430 1HZ LYS 56 1HZ LYS 56 10.134 -11.042 4.797 431 2HZ LYS 56 2HZ LYS 56 9.505 -9.473 4.757 432 3HZ LYS 56 3HZ LYS 56 10.474 -10.027 3.486 433 H GLU 57 H GLU 57 7.965 -7.096 0.645 434 HA GLU 57 HA GLU 57 8.548 -6.613 3.274 435 1HB GLU 57 1HB GLU 57 9.219 -5.057 0.789 436 2HB GLU 57 2HB GLU 57 9.808 -4.553 2.367 437 1HG GLU 57 1HG GLU 57 10.963 -6.654 2.649 438 2HG GLU 57 2HG GLU 57 10.305 -7.248 1.126 439 H ASP 58 H ASP 58 6.723 -4.495 1.084 440 HA ASP 58 HA ASP 58 6.286 -2.406 2.908 441 1HB ASP 58 1HB ASP 58 4.483 -3.261 0.634 442 2HB ASP 58 2HB ASP 58 4.523 -1.675 1.400 443 H CYS 59 H CYS 59 4.383 -5.301 2.174 444 HA CYS 59 HA CYS 59 2.107 -4.794 3.642 445 1HB CYS 59 1HB CYS 59 3.580 -7.394 3.198 446 2HB CYS 59 2HB CYS 59 1.991 -7.303 3.948 447 HG CYS 59 HG CYS 59 0.793 -6.129 1.667 448 H ILE 60 H ILE 60 5.185 -6.134 4.779 449 HA ILE 60 HA ILE 60 4.361 -6.566 7.449 450 HB ILE 60 HB ILE 60 7.127 -6.131 6.319 451 1HG1 ILE 60 1HG1 ILE 60 6.100 -8.758 7.295 452 2HG1 ILE 60 2HG1 ILE 60 5.537 -8.178 5.732 453 1HG2 ILE 60 1HG2 ILE 60 6.443 -7.337 8.988 454 2HG2 ILE 60 2HG2 ILE 60 8.032 -6.894 8.368 455 3HG2 ILE 60 3HG2 ILE 60 6.866 -5.638 8.780 456 1HD1 ILE 60 1HD1 ILE 60 8.323 -8.869 6.581 457 2HD1 ILE 60 2HD1 ILE 60 7.376 -9.517 5.241 458 3HD1 ILE 60 3HD1 ILE 60 8.004 -7.872 5.162 459 H ALA 61 H ALA 61 6.426 -3.994 6.083 460 HA ALA 61 HA ALA 61 6.733 -2.427 8.316 461 1HB ALA 61 1HB ALA 61 7.967 -1.828 6.416 462 2HB ALA 61 2HB ALA 61 6.522 -1.688 5.414 463 3HB ALA 61 3HB ALA 61 6.848 -0.487 6.664 464 H ARG 62 H ARG 62 3.926 -2.735 6.252 465 HA ARG 62 HA ARG 62 2.558 -0.460 7.348 466 1HB ARG 62 1HB ARG 62 2.253 -1.735 5.042 467 2HB ARG 62 2HB ARG 62 1.088 -2.663 5.977 468 1HG ARG 62 1HG ARG 62 0.007 -0.842 4.792 469 2HG ARG 62 2HG ARG 62 -0.108 -0.614 6.538 470 1HD ARG 62 1HD ARG 62 0.489 1.428 5.140 471 2HD ARG 62 2HD ARG 62 1.512 1.083 6.534 472 HE ARG 62 HE ARG 62 2.458 -0.038 4.053 473 1HH1 ARG 62 1HH1 ARG 62 2.492 2.722 6.173 474 2HH1 ARG 62 2HH1 ARG 62 3.995 3.334 5.567 475 1HH2 ARG 62 1HH2 ARG 62 4.438 0.756 3.246 476 2HH2 ARG 62 2HH2 ARG 62 5.101 2.215 3.901 477 H TYR 63 H TYR 63 2.268 -3.985 7.705 478 HA TYR 63 HA TYR 63 0.123 -4.260 9.326 479 1HB TYR 63 1HB TYR 63 1.540 -6.137 8.598 480 2HB TYR 63 2HB TYR 63 2.786 -5.638 9.736 481 HD1 TYR 63 HD1 TYR 63 -0.733 -6.820 9.544 482 HD2 TYR 63 HD2 TYR 63 2.753 -6.408 11.949 483 HE1 TYR 63 HE1 TYR 63 -1.777 -8.208 11.286 484 HE2 TYR 63 HE2 TYR 63 1.719 -7.796 13.696 485 HH TYR 63 HH TYR 63 -1.340 -8.349 14.034 486 H LYS 64 H LYS 64 3.354 -3.235 10.356 487 HA LYS 64 HA LYS 64 3.113 -3.166 13.068 488 1HB LYS 64 1HB LYS 64 4.410 -1.155 11.230 489 2HB LYS 64 2HB LYS 64 4.586 -1.104 12.979 490 1HG LYS 64 1HG LYS 64 5.939 -2.935 13.038 491 2HG LYS 64 2HG LYS 64 5.218 -3.652 11.595 492 1HD LYS 64 1HD LYS 64 6.338 -1.945 10.217 493 2HD LYS 64 2HD LYS 64 7.091 -1.285 11.670 494 1HE LYS 64 1HE LYS 64 7.867 -3.804 11.954 495 2HE LYS 64 2HE LYS 64 7.657 -3.808 10.204 496 1HZ LYS 64 1HZ LYS 64 9.906 -3.228 10.740 497 2HZ LYS 64 2HZ LYS 64 9.401 -1.985 11.769 498 3HZ LYS 64 3HZ LYS 64 9.138 -1.863 10.103 499 H LEU 65 H LEU 65 1.978 -0.665 10.813 500 HA LEU 65 HA LEU 65 0.864 0.975 12.867 501 1HB LEU 65 1HB LEU 65 0.224 0.973 9.924 502 2HB LEU 65 2HB LEU 65 -0.083 2.275 11.071 503 HG LEU 65 HG LEU 65 2.564 2.123 11.339 504 1HD1 LEU 65 1HD1 LEU 65 1.958 0.593 8.937 505 2HD1 LEU 65 2HD1 LEU 65 3.451 0.699 9.869 506 3HD1 LEU 65 3HD1 LEU 65 3.083 1.921 8.652 507 1HD2 LEU 65 1HD2 LEU 65 1.047 4.036 10.603 508 2HD2 LEU 65 2HD2 LEU 65 1.396 3.523 8.952 509 3HD2 LEU 65 3HD2 LEU 65 2.707 4.049 10.009 510 H LEU 66 H LEU 66 -0.413 -1.465 10.663 511 HA LEU 66 HA LEU 66 -3.132 -1.119 11.078 512 1HB LEU 66 1HB LEU 66 -1.399 -3.400 10.313 513 2HB LEU 66 2HB LEU 66 -3.052 -3.767 10.802 514 HG LEU 66 HG LEU 66 -2.621 -1.677 8.724 515 1HD1 LEU 66 1HD1 LEU 66 -1.154 -3.455 7.979 516 2HD1 LEU 66 2HD1 LEU 66 -2.602 -3.402 6.975 517 3HD1 LEU 66 3HD1 LEU 66 -2.437 -4.644 8.216 518 1HD2 LEU 66 1HD2 LEU 66 -4.669 -3.838 8.655 519 2HD2 LEU 66 2HD2 LEU 66 -4.776 -2.161 8.118 520 3HD2 LEU 66 3HD2 LEU 66 -4.839 -2.542 9.839 521 H VAL 67 H VAL 67 -0.790 -2.964 12.985 522 HA VAL 67 HA VAL 67 -2.799 -3.829 14.873 523 HB VAL 67 HB VAL 67 -0.859 -4.753 16.141 524 1HG1 VAL 67 1HG1 VAL 67 -0.181 -6.375 14.276 525 2HG1 VAL 67 2HG1 VAL 67 -1.892 -6.271 14.694 526 3HG1 VAL 67 3HG1 VAL 67 -1.283 -5.453 13.255 527 1HG2 VAL 67 1HG2 VAL 67 1.346 -4.629 15.328 528 2HG2 VAL 67 2HG2 VAL 67 0.826 -3.961 13.781 529 3HG2 VAL 67 3HG2 VAL 67 0.730 -2.978 15.242 530 H SER 68 H SER 68 -0.402 -1.301 14.615 531 HA SER 68 HA SER 68 -0.632 -0.518 17.386 532 1HB SER 68 1HB SER 68 1.434 -0.254 15.837 533 2HB SER 68 2HB SER 68 0.604 1.178 15.230 534 HG SER 68 HG SER 68 2.066 0.972 17.409 535 H GLY 69 H GLY 69 -3.140 -0.561 16.321 536 1HA GLY 69 1HA GLY 69 -3.786 2.274 15.824 537 2HA GLY 69 2HA GLY 69 -4.793 0.917 15.340 538 HA PRO 70 HA PRO 70 -5.654 2.575 19.800 539 1HB PRO 70 1HB PRO 70 -7.248 4.722 19.329 540 2HB PRO 70 2HB PRO 70 -5.497 4.852 19.529 541 1HG PRO 70 1HG PRO 70 -7.117 4.796 17.012 542 2HG PRO 70 2HG PRO 70 -5.739 5.830 17.433 543 1HD PRO 70 1HD PRO 70 -5.493 3.649 15.847 544 2HD PRO 70 2HD PRO 70 -4.196 4.193 16.931 545 H SER 71 H SER 71 -7.435 1.798 20.809 546 HA SER 71 HA SER 71 -9.965 1.593 19.395 547 1HB SER 71 1HB SER 71 -8.785 -0.475 18.758 548 2HB SER 71 2HB SER 71 -8.551 -0.864 20.462 549 HG SER 71 HG SER 71 -11.052 -0.516 20.369 550 H SER 72 H SER 72 -11.712 1.593 20.736 551 HA SER 72 HA SER 72 -11.172 1.486 23.631 552 1HB SER 72 1HB SER 72 -11.612 3.814 22.612 553 2HB SER 72 2HB SER 72 -13.279 3.269 22.424 554 HG SER 72 HG SER 72 -12.823 4.395 24.425 555 H GLY 73 H GLY 73 -13.199 1.116 24.930 556 1HA GLY 73 1HA GLY 73 -15.591 0.155 23.986 557 2HA GLY 73 2HA GLY 73 -14.508 -1.228 23.929 Start of MODEL 7 1 1H GLY 1 1H GLY 1 14.062 22.705 -19.626 2 1HA GLY 1 1HA GLY 1 15.501 22.072 -17.371 3 2HA GLY 1 2HA GLY 1 16.382 23.404 -18.104 4 H SER 2 H SER 2 13.960 22.590 -15.969 5 HA SER 2 HA SER 2 12.925 25.347 -16.011 6 1HB SER 2 1HB SER 2 11.316 22.867 -15.356 7 2HB SER 2 2HB SER 2 10.720 24.527 -15.360 8 HG SER 2 HG SER 2 11.301 22.833 -17.491 9 H SER 3 H SER 3 13.880 26.262 -14.302 10 HA SER 3 HA SER 3 14.868 25.042 -12.035 11 1HB SER 3 1HB SER 3 15.012 27.209 -11.054 12 2HB SER 3 2HB SER 3 15.214 27.446 -12.790 13 HG SER 3 HG SER 3 13.498 28.651 -11.272 14 H GLY 4 H GLY 4 11.632 26.392 -12.569 15 1HA GLY 4 1HA GLY 4 9.650 26.048 -11.464 16 2HA GLY 4 2HA GLY 4 10.351 24.545 -10.883 17 H SER 5 H SER 5 10.199 28.026 -10.260 18 HA SER 5 HA SER 5 11.496 28.405 -7.961 19 1HB SER 5 1HB SER 5 10.100 30.143 -8.955 20 2HB SER 5 2HB SER 5 8.641 29.278 -8.472 21 HG SER 5 HG SER 5 8.975 30.782 -6.912 22 H SER 6 H SER 6 8.212 27.022 -8.055 23 HA SER 6 HA SER 6 8.084 26.447 -5.296 24 1HB SER 6 1HB SER 6 6.156 26.565 -6.982 25 2HB SER 6 2HB SER 6 6.592 24.915 -7.425 26 HG SER 6 HG SER 6 4.949 25.091 -5.771 27 H GLY 7 H GLY 7 8.162 24.395 -4.231 28 1HA GLY 7 1HA GLY 7 9.398 22.160 -5.604 29 2HA GLY 7 2HA GLY 7 10.421 22.947 -4.411 30 H SER 8 H SER 8 6.935 22.257 -4.378 31 HA SER 8 HA SER 8 7.313 20.933 -1.787 32 1HB SER 8 1HB SER 8 5.678 22.886 -2.100 33 2HB SER 8 2HB SER 8 4.666 21.743 -2.982 34 HG SER 8 HG SER 8 4.182 21.906 -0.709 35 H LEU 9 H LEU 9 7.988 18.907 -2.521 36 HA LEU 9 HA LEU 9 5.855 17.125 -3.240 37 1HB LEU 9 1HB LEU 9 6.821 18.191 -5.403 38 2HB LEU 9 2HB LEU 9 8.183 17.109 -5.118 39 HG LEU 9 HG LEU 9 6.616 15.189 -5.204 40 1HD1 LEU 9 1HD1 LEU 9 4.495 16.622 -6.560 41 2HD1 LEU 9 2HD1 LEU 9 4.666 17.124 -4.878 42 3HD1 LEU 9 3HD1 LEU 9 4.405 15.424 -5.268 43 1HD2 LEU 9 1HD2 LEU 9 7.897 15.932 -7.177 44 2HD2 LEU 9 2HD2 LEU 9 6.538 16.953 -7.650 45 3HD2 LEU 9 3HD2 LEU 9 6.351 15.199 -7.606 46 H ARG 10 H ARG 10 6.426 14.904 -3.008 47 HA ARG 10 HA ARG 10 9.043 14.435 -1.746 48 1HB ARG 10 1HB ARG 10 7.872 12.833 -0.203 49 2HB ARG 10 2HB ARG 10 7.494 14.529 0.066 50 1HG ARG 10 1HG ARG 10 5.405 14.225 -1.221 51 2HG ARG 10 2HG ARG 10 5.777 12.505 -1.354 52 1HD ARG 10 1HD ARG 10 5.926 12.543 1.207 53 2HD ARG 10 2HD ARG 10 5.108 14.101 1.098 54 HE ARG 10 HE ARG 10 3.678 12.200 -0.397 55 1HH1 ARG 10 1HH1 ARG 10 4.436 13.007 2.903 56 2HH1 ARG 10 2HH1 ARG 10 2.977 12.326 3.542 57 1HH2 ARG 10 1HH2 ARG 10 1.753 11.300 0.432 58 2HH2 ARG 10 2HH2 ARG 10 1.451 11.355 2.135 59 H LYS 11 H LYS 11 10.153 12.883 -2.721 60 HA LYS 11 HA LYS 11 8.914 10.463 -3.639 61 1HB LYS 11 1HB LYS 11 9.723 10.714 -5.997 62 2HB LYS 11 2HB LYS 11 8.387 11.775 -5.572 63 1HG LYS 11 1HG LYS 11 9.685 13.667 -5.641 64 2HG LYS 11 2HG LYS 11 11.179 12.784 -5.319 65 1HD LYS 11 1HD LYS 11 11.383 13.336 -7.564 66 2HD LYS 11 2HD LYS 11 10.746 11.691 -7.626 67 1HE LYS 11 1HE LYS 11 8.593 12.427 -8.188 68 2HE LYS 11 2HE LYS 11 8.933 14.082 -7.684 69 1HZ LYS 11 1HZ LYS 11 9.041 13.156 -10.228 70 2HZ LYS 11 2HZ LYS 11 10.670 13.155 -9.774 71 3HZ LYS 11 3HZ LYS 11 9.765 14.581 -9.674 72 H GLU 12 H GLU 12 10.356 8.797 -3.775 73 HA GLU 12 HA GLU 12 13.135 9.454 -3.087 74 1HB GLU 12 1HB GLU 12 12.021 8.023 -1.474 75 2HB GLU 12 2HB GLU 12 11.565 6.895 -2.744 76 1HG GLU 12 1HG GLU 12 14.106 6.685 -3.149 77 2HG GLU 12 2HG GLU 12 14.254 7.393 -1.541 78 H ARG 13 H ARG 13 11.742 6.585 -4.642 79 HA ARG 13 HA ARG 13 13.829 6.780 -6.696 80 1HB ARG 13 1HB ARG 13 13.566 4.692 -5.264 81 2HB ARG 13 2HB ARG 13 12.068 4.398 -6.136 82 1HG ARG 13 1HG ARG 13 13.619 3.101 -7.266 83 2HG ARG 13 2HG ARG 13 13.509 4.558 -8.255 84 1HD ARG 13 1HD ARG 13 15.829 3.899 -7.972 85 2HD ARG 13 2HD ARG 13 15.523 5.437 -7.166 86 HE ARG 13 HE ARG 13 15.191 3.703 -5.160 87 1HH1 ARG 13 1HH1 ARG 13 17.693 3.991 -7.563 88 2HH1 ARG 13 2HH1 ARG 13 18.934 3.350 -6.538 89 1HH2 ARG 13 1HH2 ARG 13 16.815 2.857 -3.800 90 2HH2 ARG 13 2HH2 ARG 13 18.433 2.704 -4.397 91 H ALA 14 H ALA 14 10.475 5.566 -6.564 92 HA ALA 14 HA ALA 14 10.084 6.566 -9.296 93 1HB ALA 14 1HB ALA 14 9.458 4.131 -8.143 94 2HB ALA 14 2HB ALA 14 7.910 4.972 -8.230 95 3HB ALA 14 3HB ALA 14 8.871 4.741 -9.691 96 H ARG 15 H ARG 15 7.887 6.095 -6.530 97 HA ARG 15 HA ARG 15 6.720 8.728 -7.129 98 1HB ARG 15 1HB ARG 15 5.194 6.783 -7.284 99 2HB ARG 15 2HB ARG 15 5.514 6.420 -5.593 100 1HG ARG 15 1HG ARG 15 3.425 7.551 -5.723 101 2HG ARG 15 2HG ARG 15 4.597 8.661 -5.010 102 1HD ARG 15 1HD ARG 15 4.784 9.904 -7.005 103 2HD ARG 15 2HD ARG 15 3.979 8.653 -7.950 104 HE ARG 15 HE ARG 15 1.945 9.483 -7.273 105 1HH1 ARG 15 1HH1 ARG 15 4.488 10.913 -5.374 106 2HH1 ARG 15 2HH1 ARG 15 3.455 12.096 -4.643 107 1HH2 ARG 15 1HH2 ARG 15 0.574 11.036 -6.319 108 2HH2 ARG 15 2HH2 ARG 15 1.229 12.165 -5.181 109 H SER 16 H SER 16 7.403 6.610 -4.341 110 HA SER 16 HA SER 16 8.708 8.641 -2.869 111 1HB SER 16 1HB SER 16 6.175 9.271 -2.796 112 2HB SER 16 2HB SER 16 6.057 7.945 -1.639 113 HG SER 16 HG SER 16 8.046 9.209 -0.737 114 H ALA 17 H ALA 17 9.461 7.908 -0.810 115 HA ALA 17 HA ALA 17 10.232 5.243 -0.721 116 1HB ALA 17 1HB ALA 17 11.593 6.410 0.641 117 2HB ALA 17 2HB ALA 17 10.318 7.523 1.139 118 3HB ALA 17 3HB ALA 17 10.435 5.927 1.880 119 H GLU 18 H GLU 18 7.590 6.860 1.024 120 HA GLU 18 HA GLU 18 6.448 4.198 1.564 121 1HB GLU 18 1HB GLU 18 5.387 5.325 3.595 122 2HB GLU 18 2HB GLU 18 7.109 4.980 3.682 123 1HG GLU 18 1HG GLU 18 7.702 7.188 3.567 124 2HG GLU 18 2HG GLU 18 6.229 7.652 2.716 125 H GLU 19 H GLU 19 5.116 4.225 -0.243 126 HA GLU 19 HA GLU 19 3.379 6.444 -0.797 127 1HB GLU 19 1HB GLU 19 3.482 3.635 -1.905 128 2HB GLU 19 2HB GLU 19 2.377 4.875 -2.480 129 1HG GLU 19 1HG GLU 19 4.053 6.110 -3.462 130 2HG GLU 19 2HG GLU 19 5.308 5.419 -2.434 131 HA PRO 20 HA PRO 20 -0.075 5.420 1.710 132 1HB PRO 20 1HB PRO 20 -2.122 6.279 0.147 133 2HB PRO 20 2HB PRO 20 -1.026 7.383 0.986 134 1HG PRO 20 1HG PRO 20 -0.998 6.495 -1.873 135 2HG PRO 20 2HG PRO 20 -0.743 8.116 -1.202 136 1HD PRO 20 1HD PRO 20 1.303 6.527 -1.988 137 2HD PRO 20 2HD PRO 20 1.450 7.678 -0.645 138 H TRP 21 H TRP 21 -2.337 4.365 1.522 139 HA TRP 21 HA TRP 21 -2.178 2.068 -0.318 140 1HB TRP 21 1HB TRP 21 -3.032 2.120 2.580 141 2HB TRP 21 2HB TRP 21 -3.334 0.758 1.504 142 HD1 TRP 21 HD1 TRP 21 -0.205 2.825 2.552 143 HE1 TRP 21 HE1 TRP 21 1.744 1.177 2.888 144 HE3 TRP 21 HE3 TRP 21 -2.602 -1.524 1.336 145 HZ2 TRP 21 HZ2 TRP 21 2.204 -1.599 2.666 146 HZ3 TRP 21 HZ3 TRP 21 -1.336 -3.632 1.423 147 HH2 TRP 21 HH2 TRP 21 1.017 -3.667 2.074 148 H THR 22 H THR 22 -3.934 1.663 -1.517 149 HA THR 22 HA THR 22 -6.146 3.492 -1.420 150 HB THR 22 HB THR 22 -6.815 2.640 -3.461 151 HG1 THR 22 HG1 THR 22 -7.149 0.557 -3.525 152 1HG2 THR 22 1HG2 THR 22 -4.954 2.797 -4.745 153 2HG2 THR 22 2HG2 THR 22 -4.091 1.559 -3.832 154 3HG2 THR 22 3HG2 THR 22 -4.192 3.205 -3.208 155 H GLN 23 H GLN 23 -8.427 2.609 -1.586 156 HA GLN 23 HA GLN 23 -9.125 1.328 0.795 157 1HB GLN 23 1HB GLN 23 -11.389 1.061 -0.306 158 2HB GLN 23 2HB GLN 23 -10.755 2.700 -0.244 159 1HG GLN 23 1HG GLN 23 -10.302 2.748 -2.520 160 2HG GLN 23 2HG GLN 23 -10.337 0.991 -2.661 161 1HE2 GLN 23 1HE2 GLN 23 -11.866 0.805 -4.210 162 2HE2 GLN 23 2HE2 GLN 23 -13.509 1.299 -4.016 163 H ASN 24 H ASN 24 -8.690 0.053 -2.465 164 HA ASN 24 HA ASN 24 -9.614 -2.574 -1.834 165 1HB ASN 24 1HB ASN 24 -9.328 -1.340 -4.157 166 2HB ASN 24 2HB ASN 24 -7.731 -2.081 -4.102 167 1HD2 ASN 24 1HD2 ASN 24 -9.822 -2.615 -5.972 168 2HD2 ASN 24 2HD2 ASN 24 -10.242 -4.283 -5.806 169 H GLN 25 H GLN 25 -6.391 -1.136 -2.258 170 HA GLN 25 HA GLN 25 -4.878 -3.433 -1.810 171 1HB GLN 25 1HB GLN 25 -4.371 -0.505 -1.544 172 2HB GLN 25 2HB GLN 25 -3.194 -1.619 -0.862 173 1HG GLN 25 1HG GLN 25 -2.500 -1.025 -3.066 174 2HG GLN 25 2HG GLN 25 -3.011 -2.712 -3.073 175 1HE2 GLN 25 1HE2 GLN 25 -3.101 0.019 -4.808 176 2HE2 GLN 25 2HE2 GLN 25 -4.567 -0.219 -5.691 177 H GLN 26 H GLN 26 -5.681 -0.872 0.542 178 HA GLN 26 HA GLN 26 -4.600 -2.004 2.802 179 1HB GLN 26 1HB GLN 26 -5.547 0.249 2.759 180 2HB GLN 26 2HB GLN 26 -7.165 -0.418 2.590 181 1HG GLN 26 1HG GLN 26 -6.853 0.252 4.856 182 2HG GLN 26 2HG GLN 26 -6.892 -1.510 4.795 183 1HE2 GLN 26 1HE2 GLN 26 -4.773 -2.598 4.743 184 2HE2 GLN 26 2HE2 GLN 26 -3.480 -1.911 5.659 185 H LYS 27 H LYS 27 -7.407 -2.982 1.043 186 HA LYS 27 HA LYS 27 -8.481 -4.598 3.189 187 1HB LYS 27 1HB LYS 27 -10.143 -3.729 1.777 188 2HB LYS 27 2HB LYS 27 -9.242 -4.127 0.320 189 1HG LYS 27 1HG LYS 27 -9.606 -6.549 0.884 190 2HG LYS 27 2HG LYS 27 -10.718 -6.006 2.143 191 1HD LYS 27 1HD LYS 27 -11.753 -4.630 0.137 192 2HD LYS 27 2HD LYS 27 -10.995 -5.905 -0.820 193 1HE LYS 27 1HE LYS 27 -12.658 -6.638 1.548 194 2HE LYS 27 2HE LYS 27 -13.455 -6.164 0.048 195 1HZ LYS 27 1HZ LYS 27 -11.833 -8.531 0.625 196 2HZ LYS 27 2HZ LYS 27 -11.771 -7.896 -0.941 197 3HZ LYS 27 3HZ LYS 27 -13.250 -8.390 -0.288 198 H LEU 28 H LEU 28 -7.242 -5.317 -0.082 199 HA LEU 28 HA LEU 28 -7.143 -8.036 0.013 200 1HB LEU 28 1HB LEU 28 -5.057 -6.197 -1.148 201 2HB LEU 28 2HB LEU 28 -5.213 -7.912 -1.521 202 HG LEU 28 HG LEU 28 -7.431 -5.956 -2.061 203 1HD1 LEU 28 1HD1 LEU 28 -5.539 -6.833 -4.193 204 2HD1 LEU 28 2HD1 LEU 28 -5.125 -5.454 -3.175 205 3HD1 LEU 28 3HD1 LEU 28 -6.602 -5.426 -4.137 206 1HD2 LEU 28 1HD2 LEU 28 -7.013 -8.793 -2.398 207 2HD2 LEU 28 2HD2 LEU 28 -7.368 -8.011 -3.938 208 3HD2 LEU 28 3HD2 LEU 28 -8.486 -7.842 -2.585 209 H LEU 29 H LEU 29 -5.039 -5.787 1.656 210 HA LEU 29 HA LEU 29 -3.066 -7.717 2.401 211 1HB LEU 29 1HB LEU 29 -2.459 -5.400 2.286 212 2HB LEU 29 2HB LEU 29 -3.709 -4.968 3.450 213 HG LEU 29 HG LEU 29 -2.422 -6.363 5.135 214 1HD1 LEU 29 1HD1 LEU 29 -0.438 -7.292 4.651 215 2HD1 LEU 29 2HD1 LEU 29 0.048 -5.962 3.601 216 3HD1 LEU 29 3HD1 LEU 29 -1.015 -7.227 2.986 217 1HD2 LEU 29 1HD2 LEU 29 -1.120 -4.540 5.779 218 2HD2 LEU 29 2HD2 LEU 29 -2.413 -3.812 4.825 219 3HD2 LEU 29 3HD2 LEU 29 -0.816 -4.046 4.113 220 H GLU 30 H GLU 30 -5.482 -5.946 4.346 221 HA GLU 30 HA GLU 30 -5.209 -7.289 6.719 222 1HB GLU 30 1HB GLU 30 -7.737 -6.230 5.448 223 2HB GLU 30 2HB GLU 30 -7.620 -6.742 7.126 224 1HG GLU 30 1HG GLU 30 -6.168 -4.983 7.676 225 2HG GLU 30 2HG GLU 30 -5.835 -4.621 5.983 226 H LEU 31 H LEU 31 -7.606 -8.101 4.202 227 HA LEU 31 HA LEU 31 -8.639 -10.396 5.295 228 1HB LEU 31 1HB LEU 31 -8.186 -9.518 2.477 229 2HB LEU 31 2HB LEU 31 -8.811 -11.134 2.796 230 HG LEU 31 HG LEU 31 -10.596 -9.545 2.268 231 1HD1 LEU 31 1HD1 LEU 31 -12.054 -10.399 3.789 232 2HD1 LEU 31 2HD1 LEU 31 -10.993 -10.074 5.159 233 3HD1 LEU 31 3HD1 LEU 31 -10.676 -11.452 4.106 234 1HD2 LEU 31 1HD2 LEU 31 -9.295 -7.604 3.348 235 2HD2 LEU 31 2HD2 LEU 31 -10.038 -8.140 4.856 236 3HD2 LEU 31 3HD2 LEU 31 -11.052 -7.628 3.506 237 H ALA 32 H ALA 32 -5.697 -10.061 3.353 238 HA ALA 32 HA ALA 32 -5.079 -12.805 3.188 239 1HB ALA 32 1HB ALA 32 -3.990 -11.364 1.674 240 2HB ALA 32 2HB ALA 32 -3.385 -10.331 2.970 241 3HB ALA 32 3HB ALA 32 -2.730 -11.955 2.758 242 H LEU 33 H LEU 33 -3.782 -10.290 5.361 243 HA LEU 33 HA LEU 33 -2.029 -11.604 6.893 244 1HB LEU 33 1HB LEU 33 -4.109 -9.595 7.547 245 2HB LEU 33 2HB LEU 33 -3.287 -10.377 8.895 246 HG LEU 33 HG LEU 33 -2.373 -8.137 8.102 247 1HD1 LEU 33 1HD1 LEU 33 -0.160 -10.076 7.927 248 2HD1 LEU 33 2HD1 LEU 33 -1.200 -10.210 9.345 249 3HD1 LEU 33 3HD1 LEU 33 -0.378 -8.689 8.995 250 1HD2 LEU 33 1HD2 LEU 33 -1.679 -9.888 5.774 251 2HD2 LEU 33 2HD2 LEU 33 -0.652 -8.523 6.215 252 3HD2 LEU 33 3HD2 LEU 33 -2.341 -8.253 5.784 253 H GLN 34 H GLN 34 -5.475 -12.174 6.864 254 HA GLN 34 HA GLN 34 -5.530 -13.812 9.202 255 1HB GLN 34 1HB GLN 34 -7.499 -13.695 6.911 256 2HB GLN 34 2HB GLN 34 -7.791 -14.402 8.494 257 1HG GLN 34 1HG GLN 34 -7.129 -11.965 9.291 258 2HG GLN 34 2HG GLN 34 -7.692 -11.559 7.670 259 1HE2 GLN 34 1HE2 GLN 34 -9.375 -10.368 8.713 260 2HE2 GLN 34 2HE2 GLN 34 -10.777 -11.183 9.309 261 H GLN 35 H GLN 35 -5.501 -14.489 5.715 262 HA GLN 35 HA GLN 35 -5.484 -17.318 6.030 263 1HB GLN 35 1HB GLN 35 -4.928 -15.467 3.729 264 2HB GLN 35 2HB GLN 35 -4.662 -17.199 3.580 265 1HG GLN 35 1HG GLN 35 -6.985 -17.637 4.066 266 2HG GLN 35 2HG GLN 35 -7.277 -15.921 4.344 267 1HE2 GLN 35 1HE2 GLN 35 -6.403 -14.559 2.391 268 2HE2 GLN 35 2HE2 GLN 35 -6.952 -15.103 0.846 269 H TYR 36 H TYR 36 -2.973 -14.886 5.510 270 HA TYR 36 HA TYR 36 -0.964 -16.948 6.140 271 1HB TYR 36 1HB TYR 36 -0.280 -14.543 4.486 272 2HB TYR 36 2HB TYR 36 0.517 -16.111 4.552 273 HD1 TYR 36 HD1 TYR 36 -2.601 -14.437 3.407 274 HD2 TYR 36 HD2 TYR 36 0.024 -17.756 2.963 275 HE1 TYR 36 HE1 TYR 36 -3.843 -15.144 1.405 276 HE2 TYR 36 HE2 TYR 36 -1.210 -18.472 0.959 277 HH TYR 36 HH TYR 36 -2.733 -17.813 -0.598 278 HA PRO 37 HA PRO 37 -0.751 -13.716 9.415 279 1HB PRO 37 1HB PRO 37 -0.197 -15.475 11.407 280 2HB PRO 37 2HB PRO 37 -1.843 -15.111 10.878 281 1HG PRO 37 1HG PRO 37 -0.097 -17.437 10.170 282 2HG PRO 37 2HG PRO 37 -1.822 -17.417 10.579 283 1HD PRO 37 1HD PRO 37 -0.932 -17.568 8.026 284 2HD PRO 37 2HD PRO 37 -2.445 -16.749 8.463 285 H ARG 38 H ARG 38 1.056 -13.063 10.734 286 HA ARG 38 HA ARG 38 3.518 -13.154 9.484 287 1HB ARG 38 1HB ARG 38 4.449 -12.314 11.639 288 2HB ARG 38 2HB ARG 38 3.026 -11.436 11.093 289 1HG ARG 38 1HG ARG 38 2.528 -11.692 13.301 290 2HG ARG 38 2HG ARG 38 1.774 -13.146 12.643 291 1HD ARG 38 1HD ARG 38 2.994 -13.813 14.566 292 2HD ARG 38 2HD ARG 38 3.910 -14.362 13.163 293 HE ARG 38 HE ARG 38 5.627 -13.021 13.831 294 1HH1 ARG 38 1HH1 ARG 38 2.691 -11.894 15.325 295 2HH1 ARG 38 2HH1 ARG 38 3.489 -10.699 16.294 296 1HH2 ARG 38 1HH2 ARG 38 6.688 -11.452 15.101 297 2HH2 ARG 38 2HH2 ARG 38 5.762 -10.448 16.165 298 H GLY 39 H GLY 39 5.587 -14.020 10.393 299 1HA GLY 39 1HA GLY 39 5.663 -16.221 12.141 300 2HA GLY 39 2HA GLY 39 5.516 -16.823 10.497 301 H SER 40 H SER 40 7.327 -17.107 9.369 302 HA SER 40 HA SER 40 9.785 -15.838 10.385 303 1HB SER 40 1HB SER 40 9.387 -18.522 9.051 304 2HB SER 40 2HB SER 40 10.971 -17.804 9.344 305 HG SER 40 HG SER 40 10.011 -17.641 11.634 306 H SER 41 H SER 41 8.180 -14.445 8.610 307 HA SER 41 HA SER 41 8.250 -13.282 6.656 308 1HB SER 41 1HB SER 41 11.104 -14.289 6.587 309 2HB SER 41 2HB SER 41 10.458 -12.984 5.593 310 HG SER 41 HG SER 41 11.265 -11.906 7.269 311 H ASP 42 H ASP 42 7.485 -16.132 6.675 312 HA ASP 42 HA ASP 42 8.135 -16.837 3.890 313 1HB ASP 42 1HB ASP 42 7.135 -18.638 6.107 314 2HB ASP 42 2HB ASP 42 7.559 -19.144 4.473 315 H CYS 43 H CYS 43 5.577 -16.210 6.169 316 HA CYS 43 HA CYS 43 3.471 -17.069 4.401 317 1HB CYS 43 1HB CYS 43 3.616 -15.824 7.110 318 2HB CYS 43 2HB CYS 43 2.112 -15.682 6.209 319 HG CYS 43 HG CYS 43 3.434 -18.339 7.753 320 H TRP 44 H TRP 44 4.663 -13.938 5.595 321 HA TRP 44 HA TRP 44 2.955 -12.191 4.409 322 1HB TRP 44 1HB TRP 44 5.966 -11.951 4.580 323 2HB TRP 44 2HB TRP 44 4.877 -10.614 4.219 324 HD1 TRP 44 HD1 TRP 44 6.155 -12.739 7.094 325 HE1 TRP 44 HE1 TRP 44 5.332 -11.731 9.314 326 HE3 TRP 44 HE3 TRP 44 2.896 -9.260 5.247 327 HZ2 TRP 44 HZ2 TRP 44 3.538 -9.726 10.170 328 HZ3 TRP 44 HZ3 TRP 44 1.665 -7.837 6.833 329 HH2 TRP 44 HH2 TRP 44 1.981 -8.068 9.243 330 H ASP 45 H ASP 45 5.772 -13.693 2.844 331 HA ASP 45 HA ASP 45 5.899 -12.563 0.426 332 1HB ASP 45 1HB ASP 45 6.022 -15.456 1.203 333 2HB ASP 45 2HB ASP 45 6.155 -15.003 -0.494 334 H LYS 46 H LYS 46 3.333 -14.749 1.466 335 HA LYS 46 HA LYS 46 2.022 -14.808 -1.075 336 1HB LYS 46 1HB LYS 46 1.401 -15.770 1.679 337 2HB LYS 46 2HB LYS 46 0.072 -15.613 0.537 338 1HG LYS 46 1HG LYS 46 0.654 -17.766 0.129 339 2HG LYS 46 2HG LYS 46 1.729 -16.965 -1.020 340 1HD LYS 46 1HD LYS 46 3.598 -17.234 0.371 341 2HD LYS 46 2HD LYS 46 2.602 -17.575 1.788 342 1HE LYS 46 1HE LYS 46 2.049 -19.728 1.004 343 2HE LYS 46 2HE LYS 46 2.629 -19.371 -0.622 344 1HZ LYS 46 1HZ LYS 46 4.084 -20.285 1.684 345 2HZ LYS 46 2HZ LYS 46 4.823 -18.976 0.909 346 3HZ LYS 46 3HZ LYS 46 4.483 -20.388 0.043 347 H ILE 47 H ILE 47 1.355 -13.160 2.007 348 HA ILE 47 HA ILE 47 -0.962 -11.854 1.472 349 HB ILE 47 HB ILE 47 1.457 -10.649 2.822 350 1HG1 ILE 47 1HG1 ILE 47 -0.945 -11.878 4.158 351 2HG1 ILE 47 2HG1 ILE 47 0.437 -12.859 3.682 352 1HG2 ILE 47 1HG2 ILE 47 -1.411 -9.854 3.234 353 2HG2 ILE 47 2HG2 ILE 47 0.047 -9.022 3.773 354 3HG2 ILE 47 3HG2 ILE 47 -0.367 -9.055 2.060 355 1HD1 ILE 47 1HD1 ILE 47 0.092 -11.153 5.974 356 2HD1 ILE 47 2HD1 ILE 47 1.328 -12.367 5.646 357 3HD1 ILE 47 3HD1 ILE 47 1.537 -10.716 5.063 358 H ALA 48 H ALA 48 2.250 -10.975 0.302 359 HA ALA 48 HA ALA 48 1.572 -8.505 -0.859 360 1HB ALA 48 1HB ALA 48 3.887 -9.860 -0.501 361 2HB ALA 48 2HB ALA 48 3.646 -10.068 -2.237 362 3HB ALA 48 3HB ALA 48 3.713 -8.448 -1.544 363 H ARG 49 H ARG 49 1.392 -11.807 -2.070 364 HA ARG 49 HA ARG 49 0.987 -11.357 -4.765 365 1HB ARG 49 1HB ARG 49 -0.250 -13.448 -2.969 366 2HB ARG 49 2HB ARG 49 -0.349 -13.480 -4.724 367 1HG ARG 49 1HG ARG 49 2.193 -13.435 -4.711 368 2HG ARG 49 2HG ARG 49 2.075 -13.796 -2.987 369 1HD ARG 49 1HD ARG 49 1.247 -15.903 -3.345 370 2HD ARG 49 2HD ARG 49 0.531 -15.473 -4.899 371 HE ARG 49 HE ARG 49 2.447 -16.196 -5.888 372 1HH1 ARG 49 1HH1 ARG 49 3.180 -15.313 -2.601 373 2HH1 ARG 49 2HH1 ARG 49 4.836 -15.814 -2.698 374 1HH2 ARG 49 1HH2 ARG 49 4.625 -16.859 -6.028 375 2HH2 ARG 49 2HH2 ARG 49 5.657 -16.692 -4.648 376 H CYS 50 H CYS 50 -1.465 -11.479 -2.188 377 HA CYS 50 HA CYS 50 -3.668 -10.918 -3.855 378 1HB CYS 50 1HB CYS 50 -3.503 -11.763 -1.348 379 2HB CYS 50 2HB CYS 50 -3.675 -10.048 -0.998 380 HG CYS 50 HG CYS 50 -6.198 -10.996 -0.700 381 H VAL 51 H VAL 51 -1.103 -8.972 -2.925 382 HA VAL 51 HA VAL 51 -2.668 -6.520 -3.407 383 HB VAL 51 HB VAL 51 0.019 -6.515 -2.070 384 1HG1 VAL 51 1HG1 VAL 51 -0.479 -4.362 -1.458 385 2HG1 VAL 51 2HG1 VAL 51 -1.341 -4.465 -2.995 386 3HG1 VAL 51 3HG1 VAL 51 -2.219 -4.642 -1.475 387 1HG2 VAL 51 1HG2 VAL 51 -0.929 -6.770 0.073 388 2HG2 VAL 51 2HG2 VAL 51 -2.574 -6.649 -0.553 389 3HG2 VAL 51 3HG2 VAL 51 -1.603 -8.080 -0.897 390 HA PRO 52 HA PRO 52 0.002 -6.918 -7.107 391 1HB PRO 52 1HB PRO 52 -1.739 -5.639 -8.751 392 2HB PRO 52 2HB PRO 52 -1.864 -7.361 -8.373 393 1HG PRO 52 1HG PRO 52 -3.366 -5.051 -7.203 394 2HG PRO 52 2HG PRO 52 -3.970 -6.644 -7.697 395 1HD PRO 52 1HD PRO 52 -3.463 -6.014 -5.112 396 2HD PRO 52 2HD PRO 52 -3.253 -7.656 -5.754 397 H SER 53 H SER 53 -0.826 -4.486 -5.053 398 HA SER 53 HA SER 53 0.391 -2.383 -6.709 399 1HB SER 53 1HB SER 53 -1.650 -1.536 -5.947 400 2HB SER 53 2HB SER 53 -1.494 -2.313 -4.371 401 HG SER 53 HG SER 53 0.132 -0.820 -3.858 402 H LYS 54 H LYS 54 0.435 -3.710 -3.410 403 HA LYS 54 HA LYS 54 3.105 -2.540 -3.031 404 1HB LYS 54 1HB LYS 54 1.340 -3.750 -0.904 405 2HB LYS 54 2HB LYS 54 2.754 -2.730 -0.674 406 1HG LYS 54 1HG LYS 54 0.305 -1.736 -2.090 407 2HG LYS 54 2HG LYS 54 0.463 -1.673 -0.334 408 1HD LYS 54 1HD LYS 54 2.310 -0.214 -0.450 409 2HD LYS 54 2HD LYS 54 2.552 -0.530 -2.169 410 1HE LYS 54 1HE LYS 54 0.083 0.433 -2.302 411 2HE LYS 54 2HE LYS 54 0.582 1.232 -0.812 412 1HZ LYS 54 1HZ LYS 54 1.305 1.821 -3.504 413 2HZ LYS 54 2HZ LYS 54 2.676 1.591 -2.541 414 3HZ LYS 54 3HZ LYS 54 1.524 2.750 -2.107 415 H SER 55 H SER 55 4.755 -3.833 -2.007 416 HA SER 55 HA SER 55 4.609 -6.626 -2.870 417 1HB SER 55 1HB SER 55 6.872 -4.740 -2.281 418 2HB SER 55 2HB SER 55 7.147 -6.482 -2.292 419 HG SER 55 HG SER 55 6.179 -4.871 -4.415 420 H LYS 56 H LYS 56 6.008 -8.134 -1.418 421 HA LYS 56 HA LYS 56 4.677 -8.600 0.948 422 1HB LYS 56 1HB LYS 56 6.058 -10.293 -0.112 423 2HB LYS 56 2HB LYS 56 7.510 -9.353 0.207 424 1HG LYS 56 1HG LYS 56 5.785 -10.211 2.484 425 2HG LYS 56 2HG LYS 56 6.886 -11.367 1.731 426 1HD LYS 56 1HD LYS 56 8.594 -9.357 2.029 427 2HD LYS 56 2HD LYS 56 7.478 -8.932 3.329 428 1HE LYS 56 1HE LYS 56 7.763 -11.125 4.326 429 2HE LYS 56 2HE LYS 56 8.803 -11.621 2.992 430 1HZ LYS 56 1HZ LYS 56 9.381 -9.815 5.226 431 2HZ LYS 56 2HZ LYS 56 10.154 -9.531 3.749 432 3HZ LYS 56 3HZ LYS 56 10.350 -11.017 4.533 433 H GLU 57 H GLU 57 7.898 -7.103 0.606 434 HA GLU 57 HA GLU 57 8.415 -6.531 3.242 435 1HB GLU 57 1HB GLU 57 9.091 -4.966 0.754 436 2HB GLU 57 2HB GLU 57 9.709 -4.537 2.343 437 1HG GLU 57 1HG GLU 57 10.964 -6.510 2.510 438 2HG GLU 57 2HG GLU 57 10.099 -7.270 1.175 439 H ASP 58 H ASP 58 6.494 -4.640 0.949 440 HA ASP 58 HA ASP 58 6.000 -2.444 2.643 441 1HB ASP 58 1HB ASP 58 4.643 -3.550 0.205 442 2HB ASP 58 2HB ASP 58 3.908 -2.222 1.099 443 H CYS 59 H CYS 59 4.318 -5.506 2.177 444 HA CYS 59 HA CYS 59 1.987 -4.976 3.598 445 1HB CYS 59 1HB CYS 59 3.542 -7.543 3.266 446 2HB CYS 59 2HB CYS 59 1.957 -7.468 4.025 447 HG CYS 59 HG CYS 59 2.503 -8.048 0.979 448 H ILE 60 H ILE 60 5.119 -6.157 4.762 449 HA ILE 60 HA ILE 60 4.316 -6.449 7.468 450 HB ILE 60 HB ILE 60 7.067 -6.107 6.273 451 1HG1 ILE 60 1HG1 ILE 60 6.039 -8.653 7.443 452 2HG1 ILE 60 2HG1 ILE 60 5.460 -8.179 5.850 453 1HG2 ILE 60 1HG2 ILE 60 6.404 -7.104 9.034 454 2HG2 ILE 60 2HG2 ILE 60 7.995 -6.757 8.360 455 3HG2 ILE 60 3HG2 ILE 60 6.871 -5.439 8.688 456 1HD1 ILE 60 1HD1 ILE 60 8.162 -9.032 6.714 457 2HD1 ILE 60 2HD1 ILE 60 7.255 -9.431 5.254 458 3HD1 ILE 60 3HD1 ILE 60 8.040 -7.859 5.403 459 H ALA 61 H ALA 61 5.883 -3.839 5.668 460 HA ALA 61 HA ALA 61 6.453 -2.155 7.834 461 1HB ALA 61 1HB ALA 61 7.463 -1.730 5.713 462 2HB ALA 61 2HB ALA 61 5.890 -1.515 4.945 463 3HB ALA 61 3HB ALA 61 6.465 -0.335 6.123 464 H ARG 62 H ARG 62 3.479 -2.898 6.249 465 HA ARG 62 HA ARG 62 2.104 -0.551 7.250 466 1HB ARG 62 1HB ARG 62 1.557 -1.613 5.044 467 2HB ARG 62 2HB ARG 62 0.928 -2.998 5.927 468 1HG ARG 62 1HG ARG 62 -0.871 -1.536 5.238 469 2HG ARG 62 2HG ARG 62 -0.733 -1.556 6.998 470 1HD ARG 62 1HD ARG 62 0.417 0.565 6.974 471 2HD ARG 62 2HD ARG 62 0.449 0.565 5.211 472 HE ARG 62 HE ARG 62 -2.204 0.393 5.879 473 1HH1 ARG 62 1HH1 ARG 62 0.400 2.607 6.543 474 2HH1 ARG 62 2HH1 ARG 62 -0.635 3.990 6.671 475 1HH2 ARG 62 1HH2 ARG 62 -3.577 2.207 6.046 476 2HH2 ARG 62 2HH2 ARG 62 -2.897 3.761 6.389 477 H TYR 63 H TYR 63 2.095 -4.049 7.846 478 HA TYR 63 HA TYR 63 0.093 -4.283 9.691 479 1HB TYR 63 1HB TYR 63 1.377 -6.197 8.879 480 2HB TYR 63 2HB TYR 63 2.794 -5.644 9.764 481 HD1 TYR 63 HD1 TYR 63 -0.602 -7.046 10.118 482 HD2 TYR 63 HD2 TYR 63 3.041 -6.085 12.095 483 HE1 TYR 63 HE1 TYR 63 -1.328 -8.345 12.076 484 HE2 TYR 63 HE2 TYR 63 2.325 -7.382 14.058 485 HH TYR 63 HH TYR 63 -0.246 -8.067 14.971 486 H LYS 64 H LYS 64 3.387 -3.131 10.242 487 HA LYS 64 HA LYS 64 3.535 -3.007 12.961 488 1HB LYS 64 1HB LYS 64 4.520 -1.130 10.835 489 2HB LYS 64 2HB LYS 64 4.801 -0.776 12.534 490 1HG LYS 64 1HG LYS 64 6.284 -2.487 12.792 491 2HG LYS 64 2HG LYS 64 5.538 -3.471 11.531 492 1HD LYS 64 1HD LYS 64 6.394 -1.649 9.916 493 2HD LYS 64 2HD LYS 64 7.443 -1.171 11.253 494 1HE LYS 64 1HE LYS 64 8.188 -3.591 11.346 495 2HE LYS 64 2HE LYS 64 7.353 -3.810 9.809 496 1HZ LYS 64 1HZ LYS 64 9.889 -2.603 10.340 497 2HZ LYS 64 2HZ LYS 64 8.890 -1.592 9.424 498 3HZ LYS 64 3HZ LYS 64 9.244 -3.152 8.875 499 H LEU 65 H LEU 65 1.771 -0.819 10.829 500 HA LEU 65 HA LEU 65 0.952 0.897 12.998 501 1HB LEU 65 1HB LEU 65 -0.092 0.790 10.174 502 2HB LEU 65 2HB LEU 65 -0.306 2.102 11.331 503 HG LEU 65 HG LEU 65 2.355 2.101 11.227 504 1HD1 LEU 65 1HD1 LEU 65 2.653 1.853 8.571 505 2HD1 LEU 65 2HD1 LEU 65 1.470 0.579 8.862 506 3HD1 LEU 65 3HD1 LEU 65 3.012 0.561 9.717 507 1HD2 LEU 65 1HD2 LEU 65 1.017 4.038 10.793 508 2HD2 LEU 65 2HD2 LEU 65 0.467 3.376 9.253 509 3HD2 LEU 65 3HD2 LEU 65 2.155 3.845 9.460 510 H LEU 66 H LEU 66 -0.468 -1.674 11.048 511 HA LEU 66 HA LEU 66 -3.123 -1.471 11.799 512 1HB LEU 66 1HB LEU 66 -1.361 -3.703 10.943 513 2HB LEU 66 2HB LEU 66 -2.937 -4.111 11.618 514 HG LEU 66 HG LEU 66 -3.741 -2.333 9.812 515 1HD1 LEU 66 1HD1 LEU 66 -1.499 -3.576 8.291 516 2HD1 LEU 66 2HD1 LEU 66 -1.212 -2.096 9.204 517 3HD1 LEU 66 3HD1 LEU 66 -2.435 -2.125 7.934 518 1HD2 LEU 66 1HD2 LEU 66 -4.584 -4.111 8.672 519 2HD2 LEU 66 2HD2 LEU 66 -4.055 -4.950 10.131 520 3HD2 LEU 66 3HD2 LEU 66 -3.053 -4.986 8.679 521 H VAL 67 H VAL 67 -0.443 -3.045 13.484 522 HA VAL 67 HA VAL 67 -2.068 -4.086 15.594 523 HB VAL 67 HB VAL 67 0.059 -4.562 16.738 524 1HG1 VAL 67 1HG1 VAL 67 0.670 -6.297 15.351 525 2HG1 VAL 67 2HG1 VAL 67 -0.932 -5.903 14.727 526 3HG1 VAL 67 3HG1 VAL 67 0.509 -5.327 13.888 527 1HG2 VAL 67 1HG2 VAL 67 1.156 -2.443 15.827 528 2HG2 VAL 67 2HG2 VAL 67 2.155 -3.892 15.925 529 3HG2 VAL 67 3HG2 VAL 67 1.489 -3.385 14.373 530 H SER 68 H SER 68 -0.657 -1.034 14.920 531 HA SER 68 HA SER 68 -0.718 -0.163 17.696 532 1HB SER 68 1HB SER 68 0.225 1.924 16.871 533 2HB SER 68 2HB SER 68 1.122 0.566 16.192 534 HG SER 68 HG SER 68 -1.045 1.530 14.731 535 H GLY 69 H GLY 69 -3.216 -0.941 16.856 536 1HA GLY 69 1HA GLY 69 -4.620 1.639 16.517 537 2HA GLY 69 2HA GLY 69 -5.225 0.117 15.880 538 HA PRO 70 HA PRO 70 -5.726 -0.203 20.677 539 1HB PRO 70 1HB PRO 70 -5.161 2.025 22.121 540 2HB PRO 70 2HB PRO 70 -3.954 0.786 21.755 541 1HG PRO 70 1HG PRO 70 -4.436 3.418 20.411 542 2HG PRO 70 2HG PRO 70 -2.900 2.657 20.862 543 1HD PRO 70 1HD PRO 70 -3.867 2.599 18.333 544 2HD PRO 70 2HD PRO 70 -2.895 1.279 19.014 545 H SER 71 H SER 71 -7.794 -0.100 21.285 546 HA SER 71 HA SER 71 -9.256 2.288 21.629 547 1HB SER 71 1HB SER 71 -9.322 2.392 19.210 548 2HB SER 71 2HB SER 71 -9.864 0.716 19.114 549 HG SER 71 HG SER 71 -11.297 2.996 19.601 550 H SER 72 H SER 72 -10.652 1.832 23.186 551 HA SER 72 HA SER 72 -11.657 -0.928 23.405 552 1HB SER 72 1HB SER 72 -11.149 1.153 25.539 553 2HB SER 72 2HB SER 72 -11.995 -0.365 25.839 554 HG SER 72 HG SER 72 -9.907 -1.196 24.704 555 H GLY 73 H GLY 73 -13.785 -1.281 23.280 556 1HA GLY 73 1HA GLY 73 -16.067 -0.852 23.513 557 2HA GLY 73 2HA GLY 73 -15.686 0.805 23.957 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -0.171 29.858 11.757 2 1HA GLY 1 1HA GLY 1 1.960 28.426 10.344 3 2HA GLY 1 2HA GLY 1 1.895 28.741 12.072 4 H SER 2 H SER 2 -0.575 27.314 9.968 5 HA SER 2 HA SER 2 -0.218 24.751 11.354 6 1HB SER 2 1HB SER 2 -2.769 26.341 11.120 7 2HB SER 2 2HB SER 2 -2.783 24.597 11.383 8 HG SER 2 HG SER 2 -2.239 24.914 13.387 9 H SER 3 H SER 3 -0.640 22.945 10.140 10 HA SER 3 HA SER 3 -0.186 22.842 7.495 11 1HB SER 3 1HB SER 3 -1.465 20.703 7.427 12 2HB SER 3 2HB SER 3 -0.389 20.818 8.820 13 HG SER 3 HG SER 3 -3.055 20.494 8.766 14 H GLY 4 H GLY 4 -1.078 23.733 5.763 15 1HA GLY 4 1HA GLY 4 -4.013 24.024 5.688 16 2HA GLY 4 2HA GLY 4 -2.968 25.365 5.242 17 H SER 5 H SER 5 -3.472 25.579 3.121 18 HA SER 5 HA SER 5 -3.801 25.021 0.918 19 1HB SER 5 1HB SER 5 -1.815 24.083 -0.123 20 2HB SER 5 2HB SER 5 -1.329 25.198 1.154 21 HG SER 5 HG SER 5 -1.508 22.379 1.440 22 H SER 6 H SER 6 -5.351 23.388 2.546 23 HA SER 6 HA SER 6 -5.146 20.669 2.345 24 1HB SER 6 1HB SER 6 -6.966 21.948 3.518 25 2HB SER 6 2HB SER 6 -7.734 22.186 1.949 26 HG SER 6 HG SER 6 -7.775 20.020 3.565 27 H GLY 7 H GLY 7 -6.773 22.785 -0.026 28 1HA GLY 7 1HA GLY 7 -7.126 20.653 -1.909 29 2HA GLY 7 2HA GLY 7 -7.427 22.360 -2.198 30 H SER 8 H SER 8 -4.699 20.121 -1.707 31 HA SER 8 HA SER 8 -2.961 21.808 -3.293 32 1HB SER 8 1HB SER 8 -2.269 20.443 -1.224 33 2HB SER 8 2HB SER 8 -2.293 19.043 -2.296 34 HG SER 8 HG SER 8 -0.328 20.718 -1.970 35 H LEU 9 H LEU 9 -3.919 21.753 -5.343 36 HA LEU 9 HA LEU 9 -4.534 19.333 -6.703 37 1HB LEU 9 1HB LEU 9 -5.466 21.634 -7.177 38 2HB LEU 9 2HB LEU 9 -3.933 21.997 -7.966 39 HG LEU 9 HG LEU 9 -5.568 19.651 -8.854 40 1HD1 LEU 9 1HD1 LEU 9 -6.010 21.972 -10.487 41 2HD1 LEU 9 2HD1 LEU 9 -6.553 22.268 -8.836 42 3HD1 LEU 9 3HD1 LEU 9 -7.182 20.888 -9.737 43 1HD2 LEU 9 1HD2 LEU 9 -3.685 19.521 -10.079 44 2HD2 LEU 9 2HD2 LEU 9 -3.266 21.213 -9.810 45 3HD2 LEU 9 3HD2 LEU 9 -4.453 20.783 -11.042 46 H ARG 10 H ARG 10 -2.661 18.047 -6.493 47 HA ARG 10 HA ARG 10 -0.872 18.197 -8.667 48 1HB ARG 10 1HB ARG 10 -0.038 19.994 -6.952 49 2HB ARG 10 2HB ARG 10 0.587 18.598 -6.083 50 1HG ARG 10 1HG ARG 10 1.811 17.945 -8.152 51 2HG ARG 10 2HG ARG 10 1.290 19.468 -8.876 52 1HD ARG 10 1HD ARG 10 2.678 19.476 -6.230 53 2HD ARG 10 2HD ARG 10 3.619 19.293 -7.709 54 HE ARG 10 HE ARG 10 1.884 21.485 -7.986 55 1HH1 ARG 10 1HH1 ARG 10 4.731 20.517 -6.232 56 2HH1 ARG 10 2HH1 ARG 10 5.346 22.130 -6.081 57 1HH2 ARG 10 1HH2 ARG 10 2.683 23.613 -7.795 58 2HH2 ARG 10 2HH2 ARG 10 4.180 23.890 -6.970 59 H LYS 11 H LYS 11 0.388 16.332 -8.881 60 HA LYS 11 HA LYS 11 -0.415 14.152 -7.101 61 1HB LYS 11 1HB LYS 11 -0.528 14.184 -9.742 62 2HB LYS 11 2HB LYS 11 1.158 13.704 -9.601 63 1HG LYS 11 1HG LYS 11 0.582 11.723 -8.424 64 2HG LYS 11 2HG LYS 11 -1.093 12.248 -8.238 65 1HD LYS 11 1HD LYS 11 0.132 11.878 -10.952 66 2HD LYS 11 2HD LYS 11 -0.550 10.515 -10.063 67 1HE LYS 11 1HE LYS 11 -2.139 13.022 -10.443 68 2HE LYS 11 2HE LYS 11 -2.037 11.830 -11.738 69 1HZ LYS 11 1HZ LYS 11 -2.930 10.166 -10.262 70 2HZ LYS 11 2HZ LYS 11 -3.976 11.493 -10.309 71 3HZ LYS 11 3HZ LYS 11 -2.963 11.262 -8.974 72 H GLU 12 H GLU 12 0.921 13.516 -5.554 73 HA GLU 12 HA GLU 12 3.820 13.713 -6.022 74 1HB GLU 12 1HB GLU 12 4.139 14.325 -3.669 75 2HB GLU 12 2HB GLU 12 3.156 15.513 -4.513 76 1HG GLU 12 1HG GLU 12 1.258 14.973 -3.360 77 2HG GLU 12 2HG GLU 12 1.788 13.322 -3.044 78 H ARG 13 H ARG 13 1.932 11.477 -6.308 79 HA ARG 13 HA ARG 13 2.735 9.707 -4.117 80 1HB ARG 13 1HB ARG 13 1.046 8.185 -4.910 81 2HB ARG 13 2HB ARG 13 0.342 9.793 -4.800 82 1HG ARG 13 1HG ARG 13 0.683 10.060 -7.237 83 2HG ARG 13 2HG ARG 13 1.257 8.392 -7.302 84 1HD ARG 13 1HD ARG 13 -0.953 7.738 -6.250 85 2HD ARG 13 2HD ARG 13 -1.487 9.387 -6.574 86 HE ARG 13 HE ARG 13 -1.656 8.868 -8.806 87 1HH1 ARG 13 1HH1 ARG 13 0.059 6.337 -7.141 88 2HH1 ARG 13 2HH1 ARG 13 0.028 5.250 -8.490 89 1HH2 ARG 13 1HH2 ARG 13 -1.703 7.446 -10.589 90 2HH2 ARG 13 2HH2 ARG 13 -0.973 5.883 -10.451 91 H ALA 14 H ALA 14 3.528 10.483 -7.338 92 HA ALA 14 HA ALA 14 4.471 7.972 -8.240 93 1HB ALA 14 1HB ALA 14 5.945 9.608 -9.713 94 2HB ALA 14 2HB ALA 14 4.218 9.394 -10.002 95 3HB ALA 14 3HB ALA 14 4.794 10.795 -9.099 96 H ARG 15 H ARG 15 6.318 10.816 -7.114 97 HA ARG 15 HA ARG 15 8.731 9.302 -6.841 98 1HB ARG 15 1HB ARG 15 9.721 11.333 -6.037 99 2HB ARG 15 2HB ARG 15 8.649 11.745 -7.369 100 1HG ARG 15 1HG ARG 15 7.731 11.913 -4.523 101 2HG ARG 15 2HG ARG 15 8.623 13.230 -5.288 102 1HD ARG 15 1HD ARG 15 6.810 12.878 -7.179 103 2HD ARG 15 2HD ARG 15 5.882 12.212 -5.836 104 HE ARG 15 HE ARG 15 5.504 14.354 -5.182 105 1HH1 ARG 15 1HH1 ARG 15 8.528 14.264 -6.904 106 2HH1 ARG 15 2HH1 ARG 15 8.809 15.968 -6.762 107 1HH2 ARG 15 1HH2 ARG 15 5.862 16.598 -4.988 108 2HH2 ARG 15 2HH2 ARG 15 7.292 17.295 -5.671 109 H SER 16 H SER 16 5.982 9.595 -4.946 110 HA SER 16 HA SER 16 6.982 9.660 -2.338 111 1HB SER 16 1HB SER 16 4.560 9.851 -3.040 112 2HB SER 16 2HB SER 16 4.552 8.097 -3.230 113 HG SER 16 HG SER 16 3.824 8.907 -1.142 114 H ALA 17 H ALA 17 8.124 8.261 -1.177 115 HA ALA 17 HA ALA 17 8.828 5.696 -2.298 116 1HB ALA 17 1HB ALA 17 10.485 7.148 -1.166 117 2HB ALA 17 2HB ALA 17 9.635 6.877 0.356 118 3HB ALA 17 3HB ALA 17 10.397 5.525 -0.482 119 H GLU 18 H GLU 18 6.985 6.903 0.464 120 HA GLU 18 HA GLU 18 6.155 4.144 1.062 121 1HB GLU 18 1HB GLU 18 5.475 5.007 3.270 122 2HB GLU 18 2HB GLU 18 7.185 5.263 2.953 123 1HG GLU 18 1HG GLU 18 6.669 7.300 3.788 124 2HG GLU 18 2HG GLU 18 6.303 7.600 2.090 125 H GLU 19 H GLU 19 4.984 5.290 -1.135 126 HA GLU 19 HA GLU 19 2.806 6.823 -1.093 127 1HB GLU 19 1HB GLU 19 2.949 4.072 -2.336 128 2HB GLU 19 2HB GLU 19 1.725 5.274 -2.719 129 1HG GLU 19 1HG GLU 19 3.215 6.638 -3.829 130 2HG GLU 19 2HG GLU 19 4.614 5.957 -3.000 131 HA PRO 20 HA PRO 20 -0.131 5.394 1.843 132 1HB PRO 20 1HB PRO 20 -2.436 6.240 0.684 133 2HB PRO 20 2HB PRO 20 -1.281 7.342 1.442 134 1HG PRO 20 1HG PRO 20 -1.649 6.683 -1.455 135 2HG PRO 20 2HG PRO 20 -1.377 8.260 -0.692 136 1HD PRO 20 1HD PRO 20 0.602 6.870 -1.909 137 2HD PRO 20 2HD PRO 20 0.895 7.921 -0.508 138 H TRP 21 H TRP 21 -2.463 4.316 1.785 139 HA TRP 21 HA TRP 21 -2.321 2.065 -0.114 140 1HB TRP 21 1HB TRP 21 -3.136 2.084 2.795 141 2HB TRP 21 2HB TRP 21 -3.450 0.729 1.714 142 HD1 TRP 21 HD1 TRP 21 -0.297 2.812 2.658 143 HE1 TRP 21 HE1 TRP 21 1.659 1.169 2.974 144 HE3 TRP 21 HE3 TRP 21 -2.732 -1.559 1.608 145 HZ2 TRP 21 HZ2 TRP 21 2.110 -1.612 2.800 146 HZ3 TRP 21 HZ3 TRP 21 -1.466 -3.667 1.704 147 HH2 TRP 21 HH2 TRP 21 0.905 -3.691 2.288 148 H THR 22 H THR 22 -3.994 1.900 -1.441 149 HA THR 22 HA THR 22 -6.266 3.604 -1.216 150 HB THR 22 HB THR 22 -6.876 2.892 -3.313 151 HG1 THR 22 HG1 THR 22 -5.590 0.387 -3.116 152 1HG2 THR 22 1HG2 THR 22 -4.985 2.961 -4.593 153 2HG2 THR 22 2HG2 THR 22 -4.148 1.754 -3.617 154 3HG2 THR 22 3HG2 THR 22 -4.283 3.416 -3.041 155 H GLN 23 H GLN 23 -8.531 2.672 -1.461 156 HA GLN 23 HA GLN 23 -9.230 1.278 0.851 157 1HB GLN 23 1HB GLN 23 -11.469 1.012 -0.253 158 2HB GLN 23 2HB GLN 23 -10.860 2.662 -0.213 159 1HG GLN 23 1HG GLN 23 -10.065 2.347 -2.553 160 2HG GLN 23 2HG GLN 23 -10.884 0.787 -2.563 161 1HE2 GLN 23 1HE2 GLN 23 -13.084 0.704 -2.732 162 2HE2 GLN 23 2HE2 GLN 23 -14.065 2.089 -3.057 163 H ASN 24 H ASN 24 -9.047 0.121 -2.508 164 HA ASN 24 HA ASN 24 -9.815 -2.524 -2.006 165 1HB ASN 24 1HB ASN 24 -9.407 -1.201 -4.254 166 2HB ASN 24 2HB ASN 24 -7.805 -1.923 -4.138 167 1HD2 ASN 24 1HD2 ASN 24 -11.171 -2.945 -3.639 168 2HD2 ASN 24 2HD2 ASN 24 -11.034 -4.414 -4.538 169 H GLN 25 H GLN 25 -6.525 -1.210 -2.429 170 HA GLN 25 HA GLN 25 -5.120 -3.531 -1.839 171 1HB GLN 25 1HB GLN 25 -4.384 -0.638 -1.384 172 2HB GLN 25 2HB GLN 25 -3.254 -1.969 -1.174 173 1HG GLN 25 1HG GLN 25 -3.303 -2.507 -3.466 174 2HG GLN 25 2HG GLN 25 -4.716 -1.492 -3.750 175 1HE2 GLN 25 1HE2 GLN 25 -3.553 -0.449 -5.420 176 2HE2 GLN 25 2HE2 GLN 25 -2.365 0.752 -5.058 177 H GLN 26 H GLN 26 -5.771 -0.824 0.396 178 HA GLN 26 HA GLN 26 -4.772 -1.860 2.711 179 1HB GLN 26 1HB GLN 26 -5.699 0.383 2.586 180 2HB GLN 26 2HB GLN 26 -7.318 -0.268 2.370 181 1HG GLN 26 1HG GLN 26 -7.141 0.442 4.618 182 2HG GLN 26 2HG GLN 26 -7.103 -1.320 4.627 183 1HE2 GLN 26 1HE2 GLN 26 -4.929 -2.310 4.690 184 2HE2 GLN 26 2HE2 GLN 26 -3.712 -1.534 5.638 185 H LYS 27 H LYS 27 -7.538 -2.945 0.964 186 HA LYS 27 HA LYS 27 -8.607 -4.474 3.187 187 1HB LYS 27 1HB LYS 27 -10.387 -3.822 1.909 188 2HB LYS 27 2HB LYS 27 -9.460 -3.845 0.414 189 1HG LYS 27 1HG LYS 27 -9.538 -6.331 0.480 190 2HG LYS 27 2HG LYS 27 -10.616 -6.210 1.872 191 1HD LYS 27 1HD LYS 27 -11.323 -4.669 -0.568 192 2HD LYS 27 2HD LYS 27 -11.534 -6.421 -0.611 193 1HE LYS 27 1HE LYS 27 -12.906 -6.290 1.422 194 2HE LYS 27 2HE LYS 27 -12.713 -4.537 1.430 195 1HZ LYS 27 1HZ LYS 27 -14.733 -5.866 0.241 196 2HZ LYS 27 2HZ LYS 27 -13.691 -5.596 -1.064 197 3HZ LYS 27 3HZ LYS 27 -14.254 -4.290 -0.148 198 H LEU 28 H LEU 28 -7.226 -5.184 -0.020 199 HA LEU 28 HA LEU 28 -7.207 -7.929 0.070 200 1HB LEU 28 1HB LEU 28 -5.117 -6.081 -1.069 201 2HB LEU 28 2HB LEU 28 -5.206 -7.809 -1.402 202 HG LEU 28 HG LEU 28 -7.488 -5.966 -2.045 203 1HD1 LEU 28 1HD1 LEU 28 -5.021 -5.573 -3.112 204 2HD1 LEU 28 2HD1 LEU 28 -6.540 -5.203 -3.926 205 3HD1 LEU 28 3HD1 LEU 28 -5.715 -6.728 -4.249 206 1HD2 LEU 28 1HD2 LEU 28 -7.000 -8.764 -2.246 207 2HD2 LEU 28 2HD2 LEU 28 -7.133 -8.096 -3.873 208 3HD2 LEU 28 3HD2 LEU 28 -8.438 -7.856 -2.711 209 H LEU 29 H LEU 29 -4.994 -5.682 1.623 210 HA LEU 29 HA LEU 29 -3.093 -7.618 2.451 211 1HB LEU 29 1HB LEU 29 -2.439 -5.331 2.364 212 2HB LEU 29 2HB LEU 29 -3.750 -4.853 3.441 213 HG LEU 29 HG LEU 29 -2.573 -6.250 5.222 214 1HD1 LEU 29 1HD1 LEU 29 -0.613 -6.368 2.999 215 2HD1 LEU 29 2HD1 LEU 29 -0.989 -7.557 4.246 216 3HD1 LEU 29 3HD1 LEU 29 0.008 -6.156 4.636 217 1HD2 LEU 29 1HD2 LEU 29 -0.813 -3.996 4.420 218 2HD2 LEU 29 2HD2 LEU 29 -1.522 -4.377 5.989 219 3HD2 LEU 29 3HD2 LEU 29 -2.515 -3.651 4.725 220 H GLU 30 H GLU 30 -5.516 -5.837 4.377 221 HA GLU 30 HA GLU 30 -5.289 -7.166 6.752 222 1HB GLU 30 1HB GLU 30 -7.741 -6.065 5.387 223 2HB GLU 30 2HB GLU 30 -7.785 -6.710 7.022 224 1HG GLU 30 1HG GLU 30 -6.329 -5.031 7.826 225 2HG GLU 30 2HG GLU 30 -5.921 -4.507 6.193 226 H LEU 31 H LEU 31 -7.705 -8.018 4.266 227 HA LEU 31 HA LEU 31 -8.655 -10.344 5.363 228 1HB LEU 31 1HB LEU 31 -8.272 -9.477 2.524 229 2HB LEU 31 2HB LEU 31 -8.922 -11.074 2.892 230 HG LEU 31 HG LEU 31 -10.675 -9.428 2.378 231 1HD1 LEU 31 1HD1 LEU 31 -11.648 -9.693 4.939 232 2HD1 LEU 31 2HD1 LEU 31 -10.486 -11.013 4.807 233 3HD1 LEU 31 3HD1 LEU 31 -11.801 -10.877 3.641 234 1HD2 LEU 31 1HD2 LEU 31 -11.156 -7.670 4.073 235 2HD2 LEU 31 2HD2 LEU 31 -9.665 -7.403 3.168 236 3HD2 LEU 31 3HD2 LEU 31 -9.597 -8.025 4.818 237 H ALA 32 H ALA 32 -5.712 -9.879 3.481 238 HA ALA 32 HA ALA 32 -5.050 -12.619 3.213 239 1HB ALA 32 1HB ALA 32 -2.730 -11.717 2.771 240 2HB ALA 32 2HB ALA 32 -4.013 -11.108 1.723 241 3HB ALA 32 3HB ALA 32 -3.403 -10.109 3.043 242 H LEU 33 H LEU 33 -3.879 -10.118 5.466 243 HA LEU 33 HA LEU 33 -2.063 -11.460 6.947 244 1HB LEU 33 1HB LEU 33 -4.117 -9.433 7.632 245 2HB LEU 33 2HB LEU 33 -3.281 -10.226 8.965 246 HG LEU 33 HG LEU 33 -2.357 -7.994 8.180 247 1HD1 LEU 33 1HD1 LEU 33 -0.856 -10.506 8.636 248 2HD1 LEU 33 2HD1 LEU 33 -0.885 -9.013 9.573 249 3HD1 LEU 33 3HD1 LEU 33 0.058 -9.102 8.085 250 1HD2 LEU 33 1HD2 LEU 33 -1.652 -9.727 5.830 251 2HD2 LEU 33 2HD2 LEU 33 -0.723 -8.286 6.246 252 3HD2 LEU 33 3HD2 LEU 33 -2.434 -8.147 5.839 253 H GLN 34 H GLN 34 -5.579 -11.737 7.281 254 HA GLN 34 HA GLN 34 -5.605 -13.453 9.499 255 1HB GLN 34 1HB GLN 34 -7.619 -13.392 7.248 256 2HB GLN 34 2HB GLN 34 -7.888 -13.960 8.891 257 1HG GLN 34 1HG GLN 34 -7.143 -11.493 9.478 258 2HG GLN 34 2HG GLN 34 -7.723 -11.194 7.840 259 1HE2 GLN 34 1HE2 GLN 34 -9.784 -10.714 7.651 260 2HE2 GLN 34 2HE2 GLN 34 -11.031 -11.109 8.779 261 H GLN 35 H GLN 35 -5.316 -14.095 6.050 262 HA GLN 35 HA GLN 35 -5.504 -16.943 6.338 263 1HB GLN 35 1HB GLN 35 -4.997 -15.036 4.120 264 2HB GLN 35 2HB GLN 35 -4.387 -16.673 3.915 265 1HG GLN 35 1HG GLN 35 -7.195 -16.342 4.807 266 2HG GLN 35 2HG GLN 35 -6.806 -15.961 3.130 267 1HE2 GLN 35 1HE2 GLN 35 -4.939 -17.805 2.500 268 2HE2 GLN 35 2HE2 GLN 35 -5.604 -19.397 2.596 269 H TYR 36 H TYR 36 -2.851 -14.659 5.719 270 HA TYR 36 HA TYR 36 -0.976 -16.747 6.620 271 1HB TYR 36 1HB TYR 36 -0.179 -14.563 4.716 272 2HB TYR 36 2HB TYR 36 0.611 -16.107 5.016 273 HD1 TYR 36 HD1 TYR 36 -2.615 -14.741 3.716 274 HD2 TYR 36 HD2 TYR 36 0.319 -17.813 3.483 275 HE1 TYR 36 HE1 TYR 36 -3.792 -15.711 1.787 276 HE2 TYR 36 HE2 TYR 36 -0.849 -18.791 1.553 277 HH TYR 36 HH TYR 36 -3.422 -18.704 0.723 278 HA PRO 37 HA PRO 37 -0.606 -13.288 9.602 279 1HB PRO 37 1HB PRO 37 0.028 -14.894 11.697 280 2HB PRO 37 2HB PRO 37 -1.638 -14.581 11.197 281 1HG PRO 37 1HG PRO 37 0.107 -16.939 10.601 282 2HG PRO 37 2HG PRO 37 -1.604 -16.902 11.064 283 1HD PRO 37 1HD PRO 37 -0.795 -17.231 8.501 284 2HD PRO 37 2HD PRO 37 -2.301 -16.393 8.927 285 H ARG 38 H ARG 38 1.250 -12.840 11.168 286 HA ARG 38 HA ARG 38 3.667 -12.781 9.765 287 1HB ARG 38 1HB ARG 38 4.662 -11.957 11.844 288 2HB ARG 38 2HB ARG 38 3.114 -11.182 11.534 289 1HG ARG 38 1HG ARG 38 3.155 -11.666 13.834 290 2HG ARG 38 2HG ARG 38 2.092 -12.871 13.105 291 1HD ARG 38 1HD ARG 38 3.597 -14.582 13.412 292 2HD ARG 38 2HD ARG 38 4.988 -13.499 13.421 293 HE ARG 38 HE ARG 38 3.431 -12.930 15.668 294 1HH1 ARG 38 1HH1 ARG 38 5.386 -15.515 14.396 295 2HH1 ARG 38 2HH1 ARG 38 5.831 -16.121 15.957 296 1HH2 ARG 38 1HH2 ARG 38 4.010 -13.718 17.728 297 2HH2 ARG 38 2HH2 ARG 38 5.048 -15.099 17.852 298 H GLY 39 H GLY 39 5.771 -13.548 11.082 299 1HA GLY 39 1HA GLY 39 6.076 -15.743 12.571 300 2HA GLY 39 2HA GLY 39 5.595 -16.452 11.036 301 H SER 40 H SER 40 7.939 -17.267 11.882 302 HA SER 40 HA SER 40 10.043 -15.547 10.838 303 1HB SER 40 1HB SER 40 10.220 -16.948 12.988 304 2HB SER 40 2HB SER 40 10.421 -18.335 11.919 305 HG SER 40 HG SER 40 12.172 -16.302 12.522 306 H SER 41 H SER 41 8.329 -16.249 8.840 307 HA SER 41 HA SER 41 10.060 -17.878 7.147 308 1HB SER 41 1HB SER 41 7.272 -18.574 7.928 309 2HB SER 41 2HB SER 41 7.736 -18.850 6.249 310 HG SER 41 HG SER 41 8.360 -20.284 8.434 311 H ASP 42 H ASP 42 8.764 -17.942 4.841 312 HA ASP 42 HA ASP 42 8.678 -15.156 4.068 313 1HB ASP 42 1HB ASP 42 8.976 -15.879 1.889 314 2HB ASP 42 2HB ASP 42 9.748 -17.181 2.789 315 H CYS 43 H CYS 43 6.464 -16.974 5.480 316 HA CYS 43 HA CYS 43 4.172 -17.261 4.175 317 1HB CYS 43 1HB CYS 43 4.690 -16.018 6.850 318 2HB CYS 43 2HB CYS 43 3.043 -16.085 6.234 319 HG CYS 43 HG CYS 43 2.965 -18.859 6.039 320 H TRP 44 H TRP 44 5.137 -14.065 5.433 321 HA TRP 44 HA TRP 44 3.130 -12.505 4.469 322 1HB TRP 44 1HB TRP 44 6.088 -11.915 4.600 323 2HB TRP 44 2HB TRP 44 4.885 -10.690 4.204 324 HD1 TRP 44 HD1 TRP 44 6.143 -12.818 7.126 325 HE1 TRP 44 HE1 TRP 44 5.242 -11.817 9.319 326 HE3 TRP 44 HE3 TRP 44 2.977 -9.310 5.176 327 HZ2 TRP 44 HZ2 TRP 44 3.427 -9.807 10.117 328 HZ3 TRP 44 HZ3 TRP 44 1.695 -7.889 6.722 329 HH2 TRP 44 HH2 TRP 44 1.916 -8.134 9.141 330 H ASP 45 H ASP 45 5.979 -13.588 2.651 331 HA ASP 45 HA ASP 45 5.839 -12.284 0.315 332 1HB ASP 45 1HB ASP 45 7.170 -14.461 1.054 333 2HB ASP 45 2HB ASP 45 5.943 -15.255 0.071 334 H LYS 46 H LYS 46 3.643 -14.883 1.284 335 HA LYS 46 HA LYS 46 2.191 -14.974 -1.147 336 1HB LYS 46 1HB LYS 46 1.730 -15.967 1.637 337 2HB LYS 46 2HB LYS 46 0.392 -15.978 0.496 338 1HG LYS 46 1HG LYS 46 1.359 -17.575 -0.838 339 2HG LYS 46 2HG LYS 46 2.997 -17.175 -0.314 340 1HD LYS 46 1HD LYS 46 2.831 -18.424 1.608 341 2HD LYS 46 2HD LYS 46 1.075 -18.264 1.688 342 1HE LYS 46 1HE LYS 46 1.215 -20.438 1.022 343 2HE LYS 46 2HE LYS 46 1.219 -19.659 -0.559 344 1HZ LYS 46 1HZ LYS 46 3.485 -20.834 0.921 345 2HZ LYS 46 2HZ LYS 46 3.748 -19.685 -0.292 346 3HZ LYS 46 3HZ LYS 46 2.978 -21.144 -0.663 347 H ILE 47 H ILE 47 1.718 -13.219 1.887 348 HA ILE 47 HA ILE 47 -0.803 -12.157 1.424 349 HB ILE 47 HB ILE 47 1.516 -10.829 2.832 350 1HG1 ILE 47 1HG1 ILE 47 -0.773 -12.302 4.117 351 2HG1 ILE 47 2HG1 ILE 47 0.680 -13.149 3.600 352 1HG2 ILE 47 1HG2 ILE 47 -0.036 -9.378 3.862 353 2HG2 ILE 47 2HG2 ILE 47 -0.411 -9.347 2.140 354 3HG2 ILE 47 3HG2 ILE 47 -1.413 -10.290 3.244 355 1HD1 ILE 47 1HD1 ILE 47 0.224 -11.451 5.920 356 2HD1 ILE 47 2HD1 ILE 47 1.435 -12.703 5.644 357 3HD1 ILE 47 3HD1 ILE 47 1.704 -11.068 5.041 358 H ALA 48 H ALA 48 2.356 -11.010 0.335 359 HA ALA 48 HA ALA 48 1.526 -8.556 -0.747 360 1HB ALA 48 1HB ALA 48 3.923 -9.903 -0.494 361 2HB ALA 48 2HB ALA 48 3.685 -9.798 -2.239 362 3HB ALA 48 3HB ALA 48 3.683 -8.332 -1.259 363 H ARG 49 H ARG 49 1.453 -11.820 -2.020 364 HA ARG 49 HA ARG 49 1.109 -11.353 -4.722 365 1HB ARG 49 1HB ARG 49 -0.230 -13.463 -3.017 366 2HB ARG 49 2HB ARG 49 -0.132 -13.494 -4.773 367 1HG ARG 49 1HG ARG 49 2.376 -13.460 -4.514 368 2HG ARG 49 2HG ARG 49 2.112 -13.741 -2.792 369 1HD ARG 49 1HD ARG 49 2.361 -15.894 -3.545 370 2HD ARG 49 2HD ARG 49 0.612 -15.706 -3.660 371 HE ARG 49 HE ARG 49 0.825 -16.070 -5.891 372 1HH1 ARG 49 1HH1 ARG 49 3.808 -14.706 -4.724 373 2HH1 ARG 49 2HH1 ARG 49 4.595 -14.774 -6.266 374 1HH2 ARG 49 1HH2 ARG 49 1.850 -16.165 -7.927 375 2HH2 ARG 49 2HH2 ARG 49 3.480 -15.604 -8.088 376 H CYS 50 H CYS 50 -1.377 -11.451 -2.182 377 HA CYS 50 HA CYS 50 -3.558 -10.922 -3.899 378 1HB CYS 50 1HB CYS 50 -3.438 -11.765 -1.389 379 2HB CYS 50 2HB CYS 50 -3.625 -10.050 -1.044 380 HG CYS 50 HG CYS 50 -6.174 -10.610 -0.864 381 H VAL 51 H VAL 51 -1.048 -8.946 -2.788 382 HA VAL 51 HA VAL 51 -2.610 -6.504 -3.315 383 HB VAL 51 HB VAL 51 0.089 -6.512 -1.999 384 1HG1 VAL 51 1HG1 VAL 51 -1.248 -4.448 -2.905 385 2HG1 VAL 51 2HG1 VAL 51 -2.146 -4.632 -1.397 386 3HG1 VAL 51 3HG1 VAL 51 -0.403 -4.361 -1.360 387 1HG2 VAL 51 1HG2 VAL 51 -1.366 -8.075 -0.756 388 2HG2 VAL 51 2HG2 VAL 51 -0.958 -6.635 0.177 389 3HG2 VAL 51 3HG2 VAL 51 -2.551 -6.782 -0.564 390 HA PRO 52 HA PRO 52 0.031 -6.867 -7.041 391 1HB PRO 52 1HB PRO 52 -1.735 -5.598 -8.666 392 2HB PRO 52 2HB PRO 52 -1.840 -7.323 -8.294 393 1HG PRO 52 1HG PRO 52 -3.356 -5.033 -7.102 394 2HG PRO 52 2HG PRO 52 -3.948 -6.630 -7.598 395 1HD PRO 52 1HD PRO 52 -3.426 -6.007 -5.015 396 2HD PRO 52 2HD PRO 52 -3.205 -7.644 -5.666 397 H SER 53 H SER 53 -0.805 -4.453 -4.970 398 HA SER 53 HA SER 53 0.391 -2.334 -6.625 399 1HB SER 53 1HB SER 53 -1.671 -1.520 -5.867 400 2HB SER 53 2HB SER 53 -1.495 -2.275 -4.283 401 HG SER 53 HG SER 53 0.183 -0.760 -3.856 402 H LYS 54 H LYS 54 0.417 -3.621 -3.306 403 HA LYS 54 HA LYS 54 3.079 -2.441 -2.924 404 1HB LYS 54 1HB LYS 54 1.389 -3.691 -0.770 405 2HB LYS 54 2HB LYS 54 2.712 -2.547 -0.592 406 1HG LYS 54 1HG LYS 54 0.288 -1.705 -2.096 407 2HG LYS 54 2HG LYS 54 0.218 -1.787 -0.335 408 1HD LYS 54 1HD LYS 54 1.933 -0.188 -0.091 409 2HD LYS 54 2HD LYS 54 2.409 -0.325 -1.785 410 1HE LYS 54 1HE LYS 54 -0.040 0.481 -2.225 411 2HE LYS 54 2HE LYS 54 0.071 1.083 -0.572 412 1HZ LYS 54 1HZ LYS 54 0.717 2.692 -2.361 413 2HZ LYS 54 2HZ LYS 54 2.075 1.729 -2.657 414 3HZ LYS 54 3HZ LYS 54 1.874 2.467 -1.148 415 H SER 55 H SER 55 4.791 -3.692 -2.077 416 HA SER 55 HA SER 55 4.677 -6.480 -2.900 417 1HB SER 55 1HB SER 55 6.902 -4.589 -2.183 418 2HB SER 55 2HB SER 55 7.192 -6.327 -2.264 419 HG SER 55 HG SER 55 7.272 -6.129 -4.342 420 H LYS 56 H LYS 56 6.142 -7.956 -1.419 421 HA LYS 56 HA LYS 56 4.720 -8.503 0.897 422 1HB LYS 56 1HB LYS 56 6.135 -10.165 -0.167 423 2HB LYS 56 2HB LYS 56 7.573 -9.221 0.200 424 1HG LYS 56 1HG LYS 56 5.833 -10.084 2.450 425 2HG LYS 56 2HG LYS 56 6.872 -11.280 1.672 426 1HD LYS 56 1HD LYS 56 8.643 -9.291 1.984 427 2HD LYS 56 2HD LYS 56 7.577 -8.945 3.348 428 1HE LYS 56 1HE LYS 56 9.001 -10.404 4.363 429 2HE LYS 56 2HE LYS 56 7.832 -11.558 3.722 430 1HZ LYS 56 1HZ LYS 56 9.543 -11.305 1.671 431 2HZ LYS 56 2HZ LYS 56 9.635 -12.519 2.845 432 3HZ LYS 56 3HZ LYS 56 10.592 -11.131 2.987 433 H GLU 57 H GLU 57 8.008 -7.116 0.734 434 HA GLU 57 HA GLU 57 8.433 -6.554 3.364 435 1HB GLU 57 1HB GLU 57 9.153 -4.854 0.972 436 2HB GLU 57 2HB GLU 57 9.801 -4.600 2.586 437 1HG GLU 57 1HG GLU 57 10.803 -6.819 2.546 438 2HG GLU 57 2HG GLU 57 10.138 -7.095 0.937 439 H ASP 58 H ASP 58 6.528 -4.645 1.081 440 HA ASP 58 HA ASP 58 6.006 -2.480 2.822 441 1HB ASP 58 1HB ASP 58 4.600 -3.511 0.361 442 2HB ASP 58 2HB ASP 58 4.041 -2.088 1.237 443 H CYS 59 H CYS 59 4.327 -5.517 2.192 444 HA CYS 59 HA CYS 59 1.953 -5.033 3.552 445 1HB CYS 59 1HB CYS 59 3.529 -7.578 3.163 446 2HB CYS 59 2HB CYS 59 1.942 -7.549 3.924 447 HG CYS 59 HG CYS 59 2.722 -7.557 0.723 448 H ILE 60 H ILE 60 4.999 -6.377 4.801 449 HA ILE 60 HA ILE 60 4.098 -6.679 7.464 450 HB ILE 60 HB ILE 60 6.885 -6.432 6.336 451 1HG1 ILE 60 1HG1 ILE 60 5.736 -8.906 7.556 452 2HG1 ILE 60 2HG1 ILE 60 5.223 -8.454 5.934 453 1HG2 ILE 60 1HG2 ILE 60 7.745 -7.128 8.466 454 2HG2 ILE 60 2HG2 ILE 60 6.759 -5.686 8.703 455 3HG2 ILE 60 3HG2 ILE 60 6.116 -7.272 9.126 456 1HD1 ILE 60 1HD1 ILE 60 7.807 -8.260 5.526 457 2HD1 ILE 60 2HD1 ILE 60 7.877 -9.360 6.903 458 3HD1 ILE 60 3HD1 ILE 60 6.982 -9.816 5.454 459 H ALA 61 H ALA 61 6.017 -4.138 5.882 460 HA ALA 61 HA ALA 61 6.443 -2.518 8.109 461 1HB ALA 61 1HB ALA 61 6.147 -1.751 5.209 462 2HB ALA 61 2HB ALA 61 6.749 -0.679 6.474 463 3HB ALA 61 3HB ALA 61 7.642 -2.142 6.059 464 H ARG 62 H ARG 62 3.553 -3.182 6.426 465 HA ARG 62 HA ARG 62 2.232 -0.733 7.278 466 1HB ARG 62 1HB ARG 62 1.826 -1.859 5.032 467 2HB ARG 62 2HB ARG 62 0.961 -3.106 5.921 468 1HG ARG 62 1HG ARG 62 -0.603 -1.517 5.025 469 2HG ARG 62 2HG ARG 62 -0.577 -1.387 6.784 470 1HD ARG 62 1HD ARG 62 0.826 0.574 6.658 471 2HD ARG 62 2HD ARG 62 0.956 0.407 4.908 472 HE ARG 62 HE ARG 62 -1.688 0.634 5.235 473 1HH1 ARG 62 1HH1 ARG 62 0.963 2.479 6.534 474 2HH1 ARG 62 2HH1 ARG 62 0.059 3.955 6.631 475 1HH2 ARG 62 1HH2 ARG 62 -2.888 2.570 5.358 476 2HH2 ARG 62 2HH2 ARG 62 -2.131 4.005 5.962 477 H TYR 63 H TYR 63 2.030 -4.225 7.871 478 HA TYR 63 HA TYR 63 -0.111 -4.350 9.576 479 1HB TYR 63 1HB TYR 63 1.110 -6.332 8.830 480 2HB TYR 63 2HB TYR 63 2.496 -5.868 9.809 481 HD1 TYR 63 HD1 TYR 63 -1.054 -6.927 9.997 482 HD2 TYR 63 HD2 TYR 63 2.628 -6.476 12.082 483 HE1 TYR 63 HE1 TYR 63 -1.980 -8.190 11.893 484 HE2 TYR 63 HE2 TYR 63 1.712 -7.739 13.984 485 HH TYR 63 HH TYR 63 -0.062 -8.768 14.828 486 H LYS 64 H LYS 64 3.200 -3.386 10.335 487 HA LYS 64 HA LYS 64 3.160 -3.280 13.069 488 1HB LYS 64 1HB LYS 64 4.417 -1.406 11.071 489 2HB LYS 64 2HB LYS 64 4.677 -1.240 12.803 490 1HG LYS 64 1HG LYS 64 5.960 -3.123 12.935 491 2HG LYS 64 2HG LYS 64 5.172 -3.890 11.554 492 1HD LYS 64 1HD LYS 64 6.285 -2.198 10.085 493 2HD LYS 64 2HD LYS 64 7.188 -1.648 11.499 494 1HE LYS 64 1HE LYS 64 7.770 -4.212 11.693 495 2HE LYS 64 2HE LYS 64 7.405 -4.194 9.969 496 1HZ LYS 64 1HZ LYS 64 9.778 -3.810 10.517 497 2HZ LYS 64 2HZ LYS 64 9.341 -2.356 11.263 498 3HZ LYS 64 3HZ LYS 64 9.083 -2.566 9.604 499 H LEU 65 H LEU 65 1.823 -0.904 10.814 500 HA LEU 65 HA LEU 65 0.962 0.866 12.909 501 1HB LEU 65 1HB LEU 65 0.145 0.809 10.008 502 2HB LEU 65 2HB LEU 65 -0.090 2.140 11.139 503 HG LEU 65 HG LEU 65 2.557 1.991 11.280 504 1HD1 LEU 65 1HD1 LEU 65 3.330 0.443 9.858 505 2HD1 LEU 65 2HD1 LEU 65 3.028 1.666 8.624 506 3HD1 LEU 65 3HD1 LEU 65 1.834 0.404 8.926 507 1HD2 LEU 65 1HD2 LEU 65 1.225 3.285 8.912 508 2HD2 LEU 65 2HD2 LEU 65 2.660 3.826 9.783 509 3HD2 LEU 65 3HD2 LEU 65 1.077 3.900 10.559 510 H LEU 66 H LEU 66 -0.543 -1.568 10.842 511 HA LEU 66 HA LEU 66 -3.212 -1.140 11.417 512 1HB LEU 66 1HB LEU 66 -1.596 -3.517 10.670 513 2HB LEU 66 2HB LEU 66 -3.242 -3.788 11.239 514 HG LEU 66 HG LEU 66 -3.766 -1.945 9.391 515 1HD1 LEU 66 1HD1 LEU 66 -2.361 -2.183 7.454 516 2HD1 LEU 66 2HD1 LEU 66 -1.339 -3.352 8.289 517 3HD1 LEU 66 3HD1 LEU 66 -1.373 -1.671 8.822 518 1HD2 LEU 66 1HD2 LEU 66 -4.183 -3.822 7.817 519 2HD2 LEU 66 2HD2 LEU 66 -4.798 -4.110 9.445 520 3HD2 LEU 66 3HD2 LEU 66 -3.304 -4.886 8.916 521 H VAL 67 H VAL 67 -0.874 -3.129 13.208 522 HA VAL 67 HA VAL 67 -2.765 -3.822 15.252 523 HB VAL 67 HB VAL 67 -0.835 -4.788 16.435 524 1HG1 VAL 67 1HG1 VAL 67 -0.378 -5.687 13.655 525 2HG1 VAL 67 2HG1 VAL 67 -0.764 -6.620 15.103 526 3HG1 VAL 67 3HG1 VAL 67 -2.038 -5.751 14.247 527 1HG2 VAL 67 1HG2 VAL 67 0.887 -3.211 15.910 528 2HG2 VAL 67 2HG2 VAL 67 1.378 -4.782 15.277 529 3HG2 VAL 67 3HG2 VAL 67 0.745 -3.551 14.185 530 H SER 68 H SER 68 -0.028 -1.579 15.006 531 HA SER 68 HA SER 68 -0.032 -0.654 17.640 532 1HB SER 68 1HB SER 68 1.765 -0.175 16.008 533 2HB SER 68 2HB SER 68 0.674 0.906 15.141 534 HG SER 68 HG SER 68 2.131 1.359 17.388 535 H GLY 69 H GLY 69 -2.106 0.113 14.946 536 1HA GLY 69 1HA GLY 69 -3.171 2.553 15.657 537 2HA GLY 69 2HA GLY 69 -4.086 1.279 14.865 538 HA PRO 70 HA PRO 70 -5.108 1.876 19.570 539 1HB PRO 70 1HB PRO 70 -6.573 4.161 19.631 540 2HB PRO 70 2HB PRO 70 -4.829 4.130 19.917 541 1HG PRO 70 1HG PRO 70 -6.328 4.833 17.422 542 2HG PRO 70 2HG PRO 70 -4.924 5.637 18.148 543 1HD PRO 70 1HD PRO 70 -4.707 3.938 16.050 544 2HD PRO 70 2HD PRO 70 -3.439 4.101 17.282 545 H SER 71 H SER 71 -6.564 1.673 16.592 546 HA SER 71 HA SER 71 -8.509 0.720 15.885 547 1HB SER 71 1HB SER 71 -8.117 -0.729 17.968 548 2HB SER 71 2HB SER 71 -9.305 0.303 18.764 549 HG SER 71 HG SER 71 -9.981 -1.748 17.574 550 H SER 72 H SER 72 -8.438 3.415 15.945 551 HA SER 72 HA SER 72 -10.683 4.518 17.365 552 1HB SER 72 1HB SER 72 -10.155 6.587 16.104 553 2HB SER 72 2HB SER 72 -8.736 5.917 16.911 554 HG SER 72 HG SER 72 -9.381 5.400 14.200 555 H GLY 73 H GLY 73 -12.062 6.091 15.756 556 1HA GLY 73 1HA GLY 73 -13.844 4.347 14.435 557 2HA GLY 73 2HA GLY 73 -13.866 6.102 14.336 Start of MODEL 9 1 1H GLY 1 1H GLY 1 3.590 15.274 10.242 2 1HA GLY 1 1HA GLY 1 5.125 14.702 7.878 3 2HA GLY 1 2HA GLY 1 4.023 16.053 8.107 4 H SER 2 H SER 2 6.462 16.311 6.784 5 HA SER 2 HA SER 2 7.893 18.086 8.644 6 1HB SER 2 1HB SER 2 9.153 16.236 6.605 7 2HB SER 2 2HB SER 2 10.024 17.449 7.543 8 HG SER 2 HG SER 2 9.815 15.089 8.296 9 H SER 3 H SER 3 7.962 20.108 7.944 10 HA SER 3 HA SER 3 7.791 21.939 6.603 11 1HB SER 3 1HB SER 3 9.335 19.994 4.936 12 2HB SER 3 2HB SER 3 8.796 21.502 4.197 13 HG SER 3 HG SER 3 9.942 22.640 5.743 14 H GLY 4 H GLY 4 5.441 20.561 6.827 15 1HA GLY 4 1HA GLY 4 3.368 20.998 5.774 16 2HA GLY 4 2HA GLY 4 4.210 21.156 4.239 17 H SER 5 H SER 5 2.595 19.026 6.406 18 HA SER 5 HA SER 5 3.366 16.519 5.625 19 1HB SER 5 1HB SER 5 1.683 16.932 7.367 20 2HB SER 5 2HB SER 5 0.528 17.445 6.137 21 HG SER 5 HG SER 5 0.889 15.266 5.222 22 H SER 6 H SER 6 3.792 15.939 3.588 23 HA SER 6 HA SER 6 3.509 15.438 1.388 24 1HB SER 6 1HB SER 6 0.587 15.662 2.143 25 2HB SER 6 2HB SER 6 1.172 15.027 0.606 26 HG SER 6 HG SER 6 1.303 13.199 1.621 27 H GLY 7 H GLY 7 4.056 18.111 2.010 28 1HA GLY 7 1HA GLY 7 2.300 19.796 0.438 29 2HA GLY 7 2HA GLY 7 3.764 20.299 1.270 30 H SER 8 H SER 8 5.715 20.277 0.199 31 HA SER 8 HA SER 8 5.643 20.591 -2.597 32 1HB SER 8 1HB SER 8 7.352 21.739 -1.398 33 2HB SER 8 2HB SER 8 7.931 20.248 -0.655 34 HG SER 8 HG SER 8 8.021 20.813 -3.436 35 H LEU 9 H LEU 9 4.764 18.745 -3.538 36 HA LEU 9 HA LEU 9 6.388 16.298 -3.352 37 1HB LEU 9 1HB LEU 9 3.553 16.614 -4.327 38 2HB LEU 9 2HB LEU 9 4.434 15.097 -4.154 39 HG LEU 9 HG LEU 9 3.764 16.902 -1.836 40 1HD1 LEU 9 1HD1 LEU 9 1.857 15.614 -1.387 41 2HD1 LEU 9 2HD1 LEU 9 2.301 14.386 -2.571 42 3HD1 LEU 9 3HD1 LEU 9 1.764 15.977 -3.111 43 1HD2 LEU 9 1HD2 LEU 9 5.660 15.299 -1.596 44 2HD2 LEU 9 2HD2 LEU 9 4.523 13.986 -1.901 45 3HD2 LEU 9 3HD2 LEU 9 4.324 15.013 -0.480 46 H ARG 10 H ARG 10 7.578 15.733 -5.046 47 HA ARG 10 HA ARG 10 6.855 16.808 -7.692 48 1HB ARG 10 1HB ARG 10 9.574 16.575 -6.410 49 2HB ARG 10 2HB ARG 10 9.364 16.765 -8.146 50 1HG ARG 10 1HG ARG 10 8.066 18.703 -6.288 51 2HG ARG 10 2HG ARG 10 9.790 18.840 -6.638 52 1HD ARG 10 1HD ARG 10 9.375 19.104 -8.967 53 2HD ARG 10 2HD ARG 10 7.677 18.673 -8.775 54 HE ARG 10 HE ARG 10 8.043 20.890 -7.202 55 1HH1 ARG 10 1HH1 ARG 10 8.472 20.109 -10.567 56 2HH1 ARG 10 2HH1 ARG 10 8.147 21.720 -11.117 57 1HH2 ARG 10 1HH2 ARG 10 7.613 23.015 -7.913 58 2HH2 ARG 10 2HH2 ARG 10 7.659 23.372 -9.606 59 H LYS 11 H LYS 11 7.845 15.540 -9.506 60 HA LYS 11 HA LYS 11 7.161 12.795 -9.227 61 1HB LYS 11 1HB LYS 11 7.940 12.605 -11.576 62 2HB LYS 11 2HB LYS 11 6.794 13.917 -11.334 63 1HG LYS 11 1HG LYS 11 8.971 15.347 -11.040 64 2HG LYS 11 2HG LYS 11 9.701 14.026 -11.956 65 1HD LYS 11 1HD LYS 11 9.063 15.424 -13.662 66 2HD LYS 11 2HD LYS 11 7.632 14.400 -13.531 67 1HE LYS 11 1HE LYS 11 7.904 17.009 -12.058 68 2HE LYS 11 2HE LYS 11 7.238 16.905 -13.687 69 1HZ LYS 11 1HZ LYS 11 5.718 15.122 -12.608 70 2HZ LYS 11 2HZ LYS 11 5.363 16.762 -12.400 71 3HZ LYS 11 3HZ LYS 11 6.124 15.898 -11.161 72 H GLU 12 H GLU 12 8.557 12.027 -7.580 73 HA GLU 12 HA GLU 12 11.014 10.947 -8.584 74 1HB GLU 12 1HB GLU 12 11.851 13.133 -7.967 75 2HB GLU 12 2HB GLU 12 11.104 13.011 -6.380 76 1HG GLU 12 1HG GLU 12 12.584 11.109 -5.863 77 2HG GLU 12 2HG GLU 12 13.370 11.329 -7.426 78 H ARG 13 H ARG 13 10.946 8.927 -7.880 79 HA ARG 13 HA ARG 13 9.275 7.937 -5.904 80 1HB ARG 13 1HB ARG 13 10.406 6.582 -7.664 81 2HB ARG 13 2HB ARG 13 11.912 6.742 -6.771 82 1HG ARG 13 1HG ARG 13 10.633 5.691 -4.812 83 2HG ARG 13 2HG ARG 13 9.441 5.226 -6.027 84 1HD ARG 13 1HD ARG 13 12.328 4.624 -6.491 85 2HD ARG 13 2HD ARG 13 11.396 3.606 -5.393 86 HE ARG 13 HE ARG 13 11.278 3.595 -8.227 87 1HH1 ARG 13 1HH1 ARG 13 9.312 3.225 -5.378 88 2HH1 ARG 13 2HH1 ARG 13 8.144 2.210 -6.156 89 1HH2 ARG 13 1HH2 ARG 13 9.747 2.259 -9.263 90 2HH2 ARG 13 2HH2 ARG 13 8.393 1.660 -8.366 91 H ALA 14 H ALA 14 12.590 9.099 -5.668 92 HA ALA 14 HA ALA 14 13.358 8.215 -3.192 93 1HB ALA 14 1HB ALA 14 14.011 11.026 -3.546 94 2HB ALA 14 2HB ALA 14 15.070 9.617 -3.473 95 3HB ALA 14 3HB ALA 14 14.307 10.068 -4.998 96 H ARG 15 H ARG 15 11.540 11.213 -3.852 97 HA ARG 15 HA ARG 15 11.193 12.041 -1.225 98 1HB ARG 15 1HB ARG 15 9.740 12.506 -3.781 99 2HB ARG 15 2HB ARG 15 8.930 12.970 -2.291 100 1HG ARG 15 1HG ARG 15 10.958 14.309 -1.703 101 2HG ARG 15 2HG ARG 15 11.573 13.966 -3.321 102 1HD ARG 15 1HD ARG 15 9.471 14.965 -4.239 103 2HD ARG 15 2HD ARG 15 9.054 15.453 -2.597 104 HE ARG 15 HE ARG 15 10.918 16.724 -4.340 105 1HH1 ARG 15 1HH1 ARG 15 10.225 16.041 -0.998 106 2HH1 ARG 15 2HH1 ARG 15 11.088 17.420 -0.402 107 1HH2 ARG 15 1HH2 ARG 15 12.057 18.543 -3.568 108 2HH2 ARG 15 2HH2 ARG 15 12.129 18.843 -1.864 109 H SER 16 H SER 16 9.007 10.051 -3.213 110 HA SER 16 HA SER 16 7.254 9.537 -0.989 111 1HB SER 16 1HB SER 16 6.133 7.971 -2.612 112 2HB SER 16 2HB SER 16 6.259 9.637 -3.176 113 HG SER 16 HG SER 16 7.265 8.855 -4.833 114 H ALA 17 H ALA 17 8.519 8.530 0.574 115 HA ALA 17 HA ALA 17 9.997 6.130 -0.044 116 1HB ALA 17 1HB ALA 17 10.817 7.686 1.652 117 2HB ALA 17 2HB ALA 17 9.374 7.392 2.624 118 3HB ALA 17 3HB ALA 17 10.526 6.087 2.337 119 H GLU 18 H GLU 18 7.126 6.911 1.917 120 HA GLU 18 HA GLU 18 6.303 4.093 1.648 121 1HB GLU 18 1HB GLU 18 6.187 5.945 3.999 122 2HB GLU 18 2HB GLU 18 4.988 4.670 3.840 123 1HG GLU 18 1HG GLU 18 6.863 3.034 3.670 124 2HG GLU 18 2HG GLU 18 7.970 4.352 4.049 125 H GLU 19 H GLU 19 5.006 4.408 -0.144 126 HA GLU 19 HA GLU 19 3.157 6.508 -0.454 127 1HB GLU 19 1HB GLU 19 3.364 3.771 -1.693 128 2HB GLU 19 2HB GLU 19 2.076 4.889 -2.118 129 1HG GLU 19 1HG GLU 19 3.638 6.480 -2.966 130 2HG GLU 19 2HG GLU 19 5.000 5.544 -2.355 131 HA PRO 20 HA PRO 20 -0.262 5.387 2.059 132 1HB PRO 20 1HB PRO 20 -2.346 6.227 0.535 133 2HB PRO 20 2HB PRO 20 -1.258 7.340 1.372 134 1HG PRO 20 1HG PRO 20 -1.255 6.487 -1.497 135 2HG PRO 20 2HG PRO 20 -1.021 8.105 -0.811 136 1HD PRO 20 1HD PRO 20 1.043 6.563 -1.644 137 2HD PRO 20 2HD PRO 20 1.188 7.701 -0.290 138 H TRP 21 H TRP 21 -2.505 4.292 1.891 139 HA TRP 21 HA TRP 21 -2.315 2.008 0.037 140 1HB TRP 21 1HB TRP 21 -3.169 2.054 2.933 141 2HB TRP 21 2HB TRP 21 -3.483 0.693 1.860 142 HD1 TRP 21 HD1 TRP 21 -0.326 2.757 2.834 143 HE1 TRP 21 HE1 TRP 21 1.614 1.100 3.179 144 HE3 TRP 21 HE3 TRP 21 -2.778 -1.600 1.762 145 HZ2 TRP 21 HZ2 TRP 21 2.048 -1.684 3.017 146 HZ3 TRP 21 HZ3 TRP 21 -1.528 -3.716 1.880 147 HH2 TRP 21 HH2 TRP 21 0.835 -3.755 2.494 148 H THR 22 H THR 22 -3.898 2.058 -1.403 149 HA THR 22 HA THR 22 -6.165 3.704 -1.244 150 HB THR 22 HB THR 22 -6.779 2.891 -3.307 151 HG1 THR 22 HG1 THR 22 -5.528 0.386 -3.006 152 1HG2 THR 22 1HG2 THR 22 -4.120 1.670 -3.642 153 2HG2 THR 22 2HG2 THR 22 -4.120 3.297 -2.960 154 3HG2 THR 22 3HG2 THR 22 -4.879 2.995 -4.523 155 H GLN 23 H GLN 23 -8.411 2.458 -1.814 156 HA GLN 23 HA GLN 23 -9.200 1.303 0.675 157 1HB GLN 23 1HB GLN 23 -11.428 1.096 -0.411 158 2HB GLN 23 2HB GLN 23 -10.754 2.717 -0.502 159 1HG GLN 23 1HG GLN 23 -10.121 2.379 -2.797 160 2HG GLN 23 2HG GLN 23 -10.632 0.693 -2.725 161 1HE2 GLN 23 1HE2 GLN 23 -12.507 0.326 -3.641 162 2HE2 GLN 23 2HE2 GLN 23 -13.832 1.429 -3.743 163 H ASN 24 H ASN 24 -8.787 0.065 -2.618 164 HA ASN 24 HA ASN 24 -9.682 -2.561 -2.068 165 1HB ASN 24 1HB ASN 24 -9.215 -1.291 -4.346 166 2HB ASN 24 2HB ASN 24 -7.640 -2.063 -4.190 167 1HD2 ASN 24 1HD2 ASN 24 -11.101 -2.681 -4.296 168 2HD2 ASN 24 2HD2 ASN 24 -10.980 -4.285 -4.928 169 H GLN 25 H GLN 25 -6.423 -1.150 -2.246 170 HA GLN 25 HA GLN 25 -4.964 -3.466 -1.731 171 1HB GLN 25 1HB GLN 25 -4.448 -0.548 -1.331 172 2HB GLN 25 2HB GLN 25 -3.317 -1.715 -0.658 173 1HG GLN 25 1HG GLN 25 -2.585 -0.946 -2.836 174 2HG GLN 25 2HG GLN 25 -2.964 -2.668 -2.869 175 1HE2 GLN 25 1HE2 GLN 25 -3.228 0.083 -4.571 176 2HE2 GLN 25 2HE2 GLN 25 -4.635 -0.268 -5.510 177 H GLN 26 H GLN 26 -5.793 -0.914 0.625 178 HA GLN 26 HA GLN 26 -4.921 -2.097 2.924 179 1HB GLN 26 1HB GLN 26 -5.895 0.167 2.801 180 2HB GLN 26 2HB GLN 26 -7.494 -0.540 2.613 181 1HG GLN 26 1HG GLN 26 -7.094 0.223 4.894 182 2HG GLN 26 2HG GLN 26 -7.356 -1.519 4.820 183 1HE2 GLN 26 1HE2 GLN 26 -5.424 -2.880 4.836 184 2HE2 GLN 26 2HE2 GLN 26 -4.052 -2.363 5.750 185 H LYS 27 H LYS 27 -7.580 -3.065 0.955 186 HA LYS 27 HA LYS 27 -8.778 -4.726 3.009 187 1HB LYS 27 1HB LYS 27 -10.359 -3.779 1.538 188 2HB LYS 27 2HB LYS 27 -9.407 -4.189 0.116 189 1HG LYS 27 1HG LYS 27 -9.943 -6.505 0.337 190 2HG LYS 27 2HG LYS 27 -10.710 -6.229 1.903 191 1HD LYS 27 1HD LYS 27 -12.386 -4.792 0.778 192 2HD LYS 27 2HD LYS 27 -11.648 -5.197 -0.774 193 1HE LYS 27 1HE LYS 27 -12.447 -7.339 -0.749 194 2HE LYS 27 2HE LYS 27 -12.460 -7.429 1.012 195 1HZ LYS 27 1HZ LYS 27 -14.603 -6.942 0.986 196 2HZ LYS 27 2HZ LYS 27 -14.592 -6.860 -0.703 197 3HZ LYS 27 3HZ LYS 27 -14.293 -5.470 0.213 198 H LEU 28 H LEU 28 -7.389 -5.334 -0.223 199 HA LEU 28 HA LEU 28 -7.295 -8.071 -0.169 200 1HB LEU 28 1HB LEU 28 -5.232 -6.190 -1.305 201 2HB LEU 28 2HB LEU 28 -5.357 -7.904 -1.693 202 HG LEU 28 HG LEU 28 -7.542 -5.906 -2.258 203 1HD1 LEU 28 1HD1 LEU 28 -6.202 -5.104 -3.849 204 2HD1 LEU 28 2HD1 LEU 28 -6.463 -6.642 -4.673 205 3HD1 LEU 28 3HD1 LEU 28 -5.039 -6.416 -3.656 206 1HD2 LEU 28 1HD2 LEU 28 -8.593 -7.589 -3.449 207 2HD2 LEU 28 2HD2 LEU 28 -7.947 -8.458 -2.057 208 3HD2 LEU 28 3HD2 LEU 28 -7.117 -8.540 -3.611 209 H LEU 29 H LEU 29 -5.153 -5.804 1.432 210 HA LEU 29 HA LEU 29 -3.199 -7.739 2.195 211 1HB LEU 29 1HB LEU 29 -2.489 -5.492 2.094 212 2HB LEU 29 2HB LEU 29 -3.824 -4.946 3.107 213 HG LEU 29 HG LEU 29 -2.745 -6.244 4.996 214 1HD1 LEU 29 1HD1 LEU 29 -1.313 -7.651 3.564 215 2HD1 LEU 29 2HD1 LEU 29 -0.403 -6.784 4.800 216 3HD1 LEU 29 3HD1 LEU 29 -0.379 -6.220 3.129 217 1HD2 LEU 29 1HD2 LEU 29 -1.839 -4.313 5.667 218 2HD2 LEU 29 2HD2 LEU 29 -2.403 -3.674 4.123 219 3HD2 LEU 29 3HD2 LEU 29 -0.741 -4.240 4.289 220 H GLU 30 H GLU 30 -5.654 -5.973 4.094 221 HA GLU 30 HA GLU 30 -5.366 -7.241 6.505 222 1HB GLU 30 1HB GLU 30 -7.836 -6.192 5.137 223 2HB GLU 30 2HB GLU 30 -7.878 -6.831 6.775 224 1HG GLU 30 1HG GLU 30 -6.443 -5.132 7.575 225 2HG GLU 30 2HG GLU 30 -6.041 -4.608 5.941 226 H LEU 31 H LEU 31 -7.769 -8.187 4.041 227 HA LEU 31 HA LEU 31 -8.698 -10.495 5.182 228 1HB LEU 31 1HB LEU 31 -8.273 -9.715 2.323 229 2HB LEU 31 2HB LEU 31 -8.921 -11.301 2.734 230 HG LEU 31 HG LEU 31 -10.651 -9.630 2.126 231 1HD1 LEU 31 1HD1 LEU 31 -12.082 -10.045 4.147 232 2HD1 LEU 31 2HD1 LEU 31 -10.671 -10.782 4.906 233 3HD1 LEU 31 3HD1 LEU 31 -11.347 -11.482 3.436 234 1HD2 LEU 31 1HD2 LEU 31 -11.203 -7.898 3.814 235 2HD2 LEU 31 2HD2 LEU 31 -9.660 -7.623 3.004 236 3HD2 LEU 31 3HD2 LEU 31 -9.692 -8.275 4.643 237 H ALA 32 H ALA 32 -5.713 -10.032 3.376 238 HA ALA 32 HA ALA 32 -5.022 -12.785 3.213 239 1HB ALA 32 1HB ALA 32 -2.679 -11.786 2.819 240 2HB ALA 32 2HB ALA 32 -3.950 -11.447 1.643 241 3HB ALA 32 3HB ALA 32 -3.506 -10.229 2.839 242 H LEU 33 H LEU 33 -3.902 -10.155 5.341 243 HA LEU 33 HA LEU 33 -2.082 -11.453 6.893 244 1HB LEU 33 1HB LEU 33 -4.059 -9.306 7.438 245 2HB LEU 33 2HB LEU 33 -3.223 -10.020 8.815 246 HG LEU 33 HG LEU 33 -2.238 -7.891 7.862 247 1HD1 LEU 33 1HD1 LEU 33 -0.264 -10.137 7.761 248 2HD1 LEU 33 2HD1 LEU 33 -1.082 -9.724 9.268 249 3HD1 LEU 33 3HD1 LEU 33 -0.087 -8.521 8.447 250 1HD2 LEU 33 1HD2 LEU 33 -2.345 -8.123 5.552 251 2HD2 LEU 33 2HD2 LEU 33 -1.742 -9.780 5.589 252 3HD2 LEU 33 3HD2 LEU 33 -0.646 -8.434 5.906 253 H GLN 34 H GLN 34 -5.533 -11.900 6.882 254 HA GLN 34 HA GLN 34 -5.666 -13.327 9.356 255 1HB GLN 34 1HB GLN 34 -7.609 -13.263 7.040 256 2HB GLN 34 2HB GLN 34 -7.946 -13.922 8.635 257 1HG GLN 34 1HG GLN 34 -7.220 -11.490 9.386 258 2HG GLN 34 2HG GLN 34 -7.741 -11.103 7.747 259 1HE2 GLN 34 1HE2 GLN 34 -9.630 -10.116 8.021 260 2HE2 GLN 34 2HE2 GLN 34 -10.981 -10.762 8.884 261 H GLN 35 H GLN 35 -5.695 -14.299 5.936 262 HA GLN 35 HA GLN 35 -5.777 -17.085 6.481 263 1HB GLN 35 1HB GLN 35 -5.215 -15.421 4.056 264 2HB GLN 35 2HB GLN 35 -4.876 -17.146 4.020 265 1HG GLN 35 1HG GLN 35 -7.219 -17.589 4.638 266 2HG GLN 35 2HG GLN 35 -7.538 -15.857 4.572 267 1HE2 GLN 35 1HE2 GLN 35 -6.429 -14.957 2.388 268 2HE2 GLN 35 2HE2 GLN 35 -7.002 -15.767 0.974 269 H TYR 36 H TYR 36 -3.139 -14.921 5.462 270 HA TYR 36 HA TYR 36 -1.216 -17.010 6.219 271 1HB TYR 36 1HB TYR 36 -0.438 -14.510 4.764 272 2HB TYR 36 2HB TYR 36 0.298 -16.107 4.704 273 HD1 TYR 36 HD1 TYR 36 -2.783 -14.261 3.718 274 HD2 TYR 36 HD2 TYR 36 -0.207 -17.559 2.950 275 HE1 TYR 36 HE1 TYR 36 -4.037 -14.753 1.660 276 HE2 TYR 36 HE2 TYR 36 -1.453 -18.059 0.889 277 HH TYR 36 HH TYR 36 -2.938 -16.616 -0.760 278 HA PRO 37 HA PRO 37 -0.841 -14.214 9.801 279 1HB PRO 37 1HB PRO 37 0.093 -16.146 11.464 280 2HB PRO 37 2HB PRO 37 -1.628 -15.909 11.138 281 1HG PRO 37 1HG PRO 37 0.268 -17.900 9.954 282 2HG PRO 37 2HG PRO 37 -1.399 -18.137 10.510 283 1HD PRO 37 1HD PRO 37 -0.764 -17.842 7.895 284 2HD PRO 37 2HD PRO 37 -2.301 -17.270 8.575 285 H ARG 38 H ARG 38 0.975 -13.334 10.815 286 HA ARG 38 HA ARG 38 3.377 -13.376 9.343 287 1HB ARG 38 1HB ARG 38 4.286 -11.994 11.175 288 2HB ARG 38 2HB ARG 38 2.717 -11.423 10.625 289 1HG ARG 38 1HG ARG 38 2.467 -11.283 12.894 290 2HG ARG 38 2HG ARG 38 1.820 -12.896 12.586 291 1HD ARG 38 1HD ARG 38 3.719 -13.952 13.418 292 2HD ARG 38 2HD ARG 38 4.718 -12.510 13.231 293 HE ARG 38 HE ARG 38 4.072 -11.856 15.319 294 1HH1 ARG 38 1HH1 ARG 38 1.801 -14.214 14.135 295 2HH1 ARG 38 2HH1 ARG 38 0.927 -14.315 15.628 296 1HH2 ARG 38 1HH2 ARG 38 2.930 -11.980 17.290 297 2HH2 ARG 38 2HH2 ARG 38 1.570 -13.042 17.421 298 H GLY 39 H GLY 39 5.513 -13.542 10.885 299 1HA GLY 39 1HA GLY 39 6.120 -15.180 12.818 300 2HA GLY 39 2HA GLY 39 5.542 -16.373 11.664 301 H SER 40 H SER 40 7.842 -17.104 12.137 302 HA SER 40 HA SER 40 9.896 -15.609 10.729 303 1HB SER 40 1HB SER 40 10.310 -16.799 12.921 304 2HB SER 40 2HB SER 40 10.160 -18.320 12.041 305 HG SER 40 HG SER 40 11.914 -16.396 11.035 306 H SER 41 H SER 41 8.178 -16.125 8.842 307 HA SER 41 HA SER 41 9.516 -18.120 7.200 308 1HB SER 41 1HB SER 41 6.563 -18.204 7.837 309 2HB SER 41 2HB SER 41 7.272 -19.032 6.451 310 HG SER 41 HG SER 41 8.437 -19.455 8.950 311 H ASP 42 H ASP 42 8.132 -18.109 4.955 312 HA ASP 42 HA ASP 42 8.383 -15.369 4.041 313 1HB ASP 42 1HB ASP 42 7.756 -17.901 2.505 314 2HB ASP 42 2HB ASP 42 8.105 -16.329 1.790 315 H CYS 43 H CYS 43 6.003 -16.848 5.575 316 HA CYS 43 HA CYS 43 3.667 -16.918 4.313 317 1HB CYS 43 1HB CYS 43 2.727 -15.539 6.345 318 2HB CYS 43 2HB CYS 43 3.433 -17.130 6.600 319 HG CYS 43 HG CYS 43 4.713 -14.088 7.408 320 H TRP 44 H TRP 44 4.958 -13.805 5.487 321 HA TRP 44 HA TRP 44 3.136 -12.078 4.449 322 1HB TRP 44 1HB TRP 44 6.140 -11.760 4.557 323 2HB TRP 44 2HB TRP 44 5.029 -10.439 4.202 324 HD1 TRP 44 HD1 TRP 44 6.535 -12.354 7.055 325 HE1 TRP 44 HE1 TRP 44 5.635 -11.438 9.286 326 HE3 TRP 44 HE3 TRP 44 2.779 -9.387 5.259 327 HZ2 TRP 44 HZ2 TRP 44 3.602 -9.689 10.168 328 HZ3 TRP 44 HZ3 TRP 44 1.403 -8.126 6.862 329 HH2 TRP 44 HH2 TRP 44 1.807 -8.276 9.265 330 H ASP 45 H ASP 45 5.835 -13.562 2.702 331 HA ASP 45 HA ASP 45 5.727 -12.239 0.305 332 1HB ASP 45 1HB ASP 45 7.156 -14.313 1.157 333 2HB ASP 45 2HB ASP 45 5.978 -15.209 0.201 334 H LYS 46 H LYS 46 3.642 -14.871 1.408 335 HA LYS 46 HA LYS 46 2.198 -15.088 -1.043 336 1HB LYS 46 1HB LYS 46 1.834 -16.144 1.736 337 2HB LYS 46 2HB LYS 46 0.510 -16.266 0.584 338 1HG LYS 46 1HG LYS 46 1.616 -17.773 -0.739 339 2HG LYS 46 2HG LYS 46 3.211 -17.217 -0.229 340 1HD LYS 46 1HD LYS 46 3.136 -19.178 0.926 341 2HD LYS 46 2HD LYS 46 2.351 -18.136 2.114 342 1HE LYS 46 1HE LYS 46 0.216 -18.926 1.562 343 2HE LYS 46 2HE LYS 46 0.769 -19.612 0.034 344 1HZ LYS 46 1HZ LYS 46 1.973 -21.297 1.232 345 2HZ LYS 46 2HZ LYS 46 0.360 -21.304 1.739 346 3HZ LYS 46 3HZ LYS 46 1.550 -20.610 2.720 347 H ILE 47 H ILE 47 2.019 -13.004 1.689 348 HA ILE 47 HA ILE 47 -0.722 -12.245 1.388 349 HB ILE 47 HB ILE 47 1.573 -10.942 2.847 350 1HG1 ILE 47 1HG1 ILE 47 -0.889 -12.155 4.066 351 2HG1 ILE 47 2HG1 ILE 47 0.459 -13.179 3.583 352 1HG2 ILE 47 1HG2 ILE 47 -0.078 -9.266 2.082 353 2HG2 ILE 47 2HG2 ILE 47 -1.335 -10.156 2.940 354 3HG2 ILE 47 3HG2 ILE 47 -0.008 -9.418 3.837 355 1HD1 ILE 47 1HD1 ILE 47 1.449 -10.980 5.106 356 2HD1 ILE 47 2HD1 ILE 47 0.132 -11.763 5.981 357 3HD1 ILE 47 3HD1 ILE 47 1.526 -12.707 5.455 358 H ALA 48 H ALA 48 2.377 -10.827 0.403 359 HA ALA 48 HA ALA 48 1.386 -8.462 -0.713 360 1HB ALA 48 1HB ALA 48 3.657 -9.485 -2.180 361 2HB ALA 48 2HB ALA 48 3.537 -8.074 -1.128 362 3HB ALA 48 3HB ALA 48 3.877 -9.662 -0.439 363 H ARG 49 H ARG 49 1.340 -11.719 -1.883 364 HA ARG 49 HA ARG 49 1.120 -11.301 -4.633 365 1HB ARG 49 1HB ARG 49 0.086 -13.445 -2.798 366 2HB ARG 49 2HB ARG 49 -0.280 -13.475 -4.517 367 1HG ARG 49 1HG ARG 49 2.218 -13.340 -4.911 368 2HG ARG 49 2HG ARG 49 2.402 -13.671 -3.187 369 1HD ARG 49 1HD ARG 49 1.586 -15.815 -3.374 370 2HD ARG 49 2HD ARG 49 0.660 -15.448 -4.829 371 HE ARG 49 HE ARG 49 3.213 -15.182 -5.658 372 1HH1 ARG 49 1HH1 ARG 49 1.521 -17.700 -3.950 373 2HH1 ARG 49 2HH1 ARG 49 2.501 -18.975 -4.594 374 1HH2 ARG 49 1HH2 ARG 49 4.510 -16.852 -6.513 375 2HH2 ARG 49 2HH2 ARG 49 4.202 -18.491 -6.051 376 H CYS 50 H CYS 50 -1.387 -11.366 -2.125 377 HA CYS 50 HA CYS 50 -3.560 -10.978 -3.907 378 1HB CYS 50 1HB CYS 50 -3.478 -11.781 -1.390 379 2HB CYS 50 2HB CYS 50 -3.703 -10.066 -1.064 380 HG CYS 50 HG CYS 50 -6.066 -9.987 -2.717 381 H VAL 51 H VAL 51 -1.134 -8.903 -2.813 382 HA VAL 51 HA VAL 51 -2.768 -6.521 -3.390 383 HB VAL 51 HB VAL 51 -0.076 -6.406 -2.069 384 1HG1 VAL 51 1HG1 VAL 51 -2.419 -4.628 -1.533 385 2HG1 VAL 51 2HG1 VAL 51 -0.694 -4.279 -1.405 386 3HG1 VAL 51 3HG1 VAL 51 -1.454 -4.404 -2.992 387 1HG2 VAL 51 1HG2 VAL 51 -2.683 -6.721 -0.590 388 2HG2 VAL 51 2HG2 VAL 51 -1.525 -8.028 -0.836 389 3HG2 VAL 51 3HG2 VAL 51 -1.065 -6.606 0.101 390 HA PRO 52 HA PRO 52 -0.112 -6.850 -7.102 391 1HB PRO 52 1HB PRO 52 -1.894 -5.615 -8.736 392 2HB PRO 52 2HB PRO 52 -1.975 -7.340 -8.354 393 1HG PRO 52 1HG PRO 52 -3.525 -5.065 -7.178 394 2HG PRO 52 2HG PRO 52 -4.093 -6.672 -7.664 395 1HD PRO 52 1HD PRO 52 -3.583 -6.027 -5.085 396 2HD PRO 52 2HD PRO 52 -3.338 -7.664 -5.726 397 H SER 53 H SER 53 -0.982 -4.436 -5.046 398 HA SER 53 HA SER 53 0.186 -2.311 -6.711 399 1HB SER 53 1HB SER 53 -1.842 -1.454 -5.980 400 2HB SER 53 2HB SER 53 -1.758 -2.294 -4.432 401 HG SER 53 HG SER 53 -0.249 -0.031 -5.241 402 H LYS 54 H LYS 54 0.225 -3.584 -3.388 403 HA LYS 54 HA LYS 54 2.839 -2.321 -2.971 404 1HB LYS 54 1HB LYS 54 1.159 -3.724 -0.897 405 2HB LYS 54 2HB LYS 54 2.484 -2.600 -0.631 406 1HG LYS 54 1HG LYS 54 0.116 -1.629 -2.134 407 2HG LYS 54 2HG LYS 54 -0.038 -1.867 -0.392 408 1HD LYS 54 1HD LYS 54 1.538 -0.244 0.099 409 2HD LYS 54 2HD LYS 54 2.301 -0.360 -1.489 410 1HE LYS 54 1HE LYS 54 -0.524 0.555 -1.351 411 2HE LYS 54 2HE LYS 54 0.735 1.673 -0.829 412 1HZ LYS 54 1HZ LYS 54 0.219 0.571 -3.499 413 2HZ LYS 54 2HZ LYS 54 1.809 0.966 -3.081 414 3HZ LYS 54 3HZ LYS 54 0.606 2.155 -3.044 415 H SER 55 H SER 55 4.538 -3.560 -1.917 416 HA SER 55 HA SER 55 4.582 -6.317 -2.908 417 1HB SER 55 1HB SER 55 6.717 -4.319 -2.223 418 2HB SER 55 2HB SER 55 7.100 -6.039 -2.291 419 HG SER 55 HG SER 55 7.455 -5.158 -4.311 420 H LYS 56 H LYS 56 6.049 -7.794 -1.495 421 HA LYS 56 HA LYS 56 4.721 -8.393 0.854 422 1HB LYS 56 1HB LYS 56 6.164 -9.991 -0.298 423 2HB LYS 56 2HB LYS 56 7.582 -9.033 0.110 424 1HG LYS 56 1HG LYS 56 5.858 -9.988 2.330 425 2HG LYS 56 2HG LYS 56 6.888 -11.160 1.504 426 1HD LYS 56 1HD LYS 56 8.674 -9.201 1.867 427 2HD LYS 56 2HD LYS 56 7.616 -8.874 3.242 428 1HE LYS 56 1HE LYS 56 9.031 -10.368 4.217 429 2HE LYS 56 2HE LYS 56 7.842 -11.493 3.563 430 1HZ LYS 56 1HZ LYS 56 9.345 -11.582 1.539 431 2HZ LYS 56 2HZ LYS 56 9.904 -12.353 2.937 432 3HZ LYS 56 3HZ LYS 56 10.524 -10.840 2.501 433 H GLU 57 H GLU 57 8.010 -7.010 0.675 434 HA GLU 57 HA GLU 57 8.484 -6.454 3.279 435 1HB GLU 57 1HB GLU 57 9.145 -4.885 0.805 436 2HB GLU 57 2HB GLU 57 9.644 -4.309 2.390 437 1HG GLU 57 1HG GLU 57 10.957 -6.269 2.765 438 2HG GLU 57 2HG GLU 57 10.332 -7.025 1.300 439 H ASP 58 H ASP 58 6.492 -4.518 1.090 440 HA ASP 58 HA ASP 58 5.966 -2.407 2.883 441 1HB ASP 58 1HB ASP 58 4.264 -3.418 0.594 442 2HB ASP 58 2HB ASP 58 4.100 -1.852 1.383 443 H CYS 59 H CYS 59 4.284 -5.448 2.235 444 HA CYS 59 HA CYS 59 1.977 -5.047 3.711 445 1HB CYS 59 1HB CYS 59 3.588 -7.550 3.219 446 2HB CYS 59 2HB CYS 59 2.035 -7.569 4.045 447 HG CYS 59 HG CYS 59 2.676 -6.846 0.779 448 H ILE 60 H ILE 60 5.088 -6.366 4.821 449 HA ILE 60 HA ILE 60 4.304 -6.725 7.510 450 HB ILE 60 HB ILE 60 7.045 -6.368 6.299 451 1HG1 ILE 60 1HG1 ILE 60 5.988 -8.918 7.448 452 2HG1 ILE 60 2HG1 ILE 60 5.435 -8.417 5.854 453 1HG2 ILE 60 1HG2 ILE 60 7.990 -7.099 8.371 454 2HG2 ILE 60 2HG2 ILE 60 6.942 -5.722 8.705 455 3HG2 ILE 60 3HG2 ILE 60 6.391 -7.357 9.068 456 1HD1 ILE 60 1HD1 ILE 60 8.119 -9.310 6.741 457 2HD1 ILE 60 2HD1 ILE 60 7.219 -9.699 5.275 458 3HD1 ILE 60 3HD1 ILE 60 8.018 -8.135 5.430 459 H ALA 61 H ALA 61 5.925 -4.060 5.835 460 HA ALA 61 HA ALA 61 6.472 -2.474 8.083 461 1HB ALA 61 1HB ALA 61 7.590 -1.837 6.151 462 2HB ALA 61 2HB ALA 61 6.123 -1.869 5.171 463 3HB ALA 61 3HB ALA 61 6.375 -0.573 6.341 464 H ARG 62 H ARG 62 3.544 -2.998 6.280 465 HA ARG 62 HA ARG 62 2.177 -0.702 7.356 466 1HB ARG 62 1HB ARG 62 1.689 -1.785 5.114 467 2HB ARG 62 2HB ARG 62 0.932 -3.097 6.008 468 1HG ARG 62 1HG ARG 62 -0.695 -1.465 5.175 469 2HG ARG 62 2HG ARG 62 -0.697 -1.574 6.936 470 1HD ARG 62 1HD ARG 62 0.525 0.461 7.140 471 2HD ARG 62 2HD ARG 62 0.842 0.512 5.406 472 HE ARG 62 HE ARG 62 -1.930 0.516 5.811 473 1HH1 ARG 62 1HH1 ARG 62 0.841 2.560 6.327 474 2HH1 ARG 62 2HH1 ARG 62 -0.059 4.035 6.195 475 1HH2 ARG 62 1HH2 ARG 62 -3.125 2.451 5.635 476 2HH2 ARG 62 2HH2 ARG 62 -2.315 3.972 5.802 477 H TYR 63 H TYR 63 2.105 -4.208 7.896 478 HA TYR 63 HA TYR 63 0.058 -4.470 9.674 479 1HB TYR 63 1HB TYR 63 1.445 -6.345 8.875 480 2HB TYR 63 2HB TYR 63 2.765 -5.803 9.904 481 HD1 TYR 63 HD1 TYR 63 -0.628 -7.253 9.897 482 HD2 TYR 63 HD2 TYR 63 2.795 -6.301 12.237 483 HE1 TYR 63 HE1 TYR 63 -1.519 -8.613 11.743 484 HE2 TYR 63 HE2 TYR 63 1.915 -7.659 14.088 485 HH TYR 63 HH TYR 63 -0.299 -8.478 14.880 486 H LYS 64 H LYS 64 3.309 -3.268 10.347 487 HA LYS 64 HA LYS 64 3.297 -3.155 13.092 488 1HB LYS 64 1HB LYS 64 4.447 -1.229 11.076 489 2HB LYS 64 2HB LYS 64 4.741 -1.081 12.803 490 1HG LYS 64 1HG LYS 64 6.107 -2.902 12.871 491 2HG LYS 64 2HG LYS 64 5.298 -3.698 11.519 492 1HD LYS 64 1HD LYS 64 6.294 -1.975 10.009 493 2HD LYS 64 2HD LYS 64 7.218 -1.376 11.389 494 1HE LYS 64 1HE LYS 64 7.990 -3.846 11.610 495 2HE LYS 64 2HE LYS 64 7.453 -3.982 9.936 496 1HZ LYS 64 1HZ LYS 64 9.900 -3.202 10.661 497 2HZ LYS 64 2HZ LYS 64 9.140 -1.699 10.512 498 3HZ LYS 64 3HZ LYS 64 9.170 -2.765 9.199 499 H LEU 65 H LEU 65 1.958 -0.764 10.833 500 HA LEU 65 HA LEU 65 1.028 0.988 12.878 501 1HB LEU 65 1HB LEU 65 0.122 0.764 10.012 502 2HB LEU 65 2HB LEU 65 -0.168 2.125 11.094 503 HG LEU 65 HG LEU 65 2.497 2.117 11.164 504 1HD1 LEU 65 1HD1 LEU 65 1.870 0.287 9.064 505 2HD1 LEU 65 2HD1 LEU 65 3.449 0.810 9.650 506 3HD1 LEU 65 3HD1 LEU 65 2.635 1.722 8.379 507 1HD2 LEU 65 1HD2 LEU 65 2.448 3.898 9.558 508 2HD2 LEU 65 2HD2 LEU 65 0.965 3.963 10.511 509 3HD2 LEU 65 3HD2 LEU 65 0.934 3.303 8.875 510 H LEU 66 H LEU 66 -0.415 -1.642 11.034 511 HA LEU 66 HA LEU 66 -3.089 -1.287 11.694 512 1HB LEU 66 1HB LEU 66 -1.402 -3.614 10.951 513 2HB LEU 66 2HB LEU 66 -3.003 -3.940 11.612 514 HG LEU 66 HG LEU 66 -3.698 -2.187 9.729 515 1HD1 LEU 66 1HD1 LEU 66 -1.213 -2.011 9.118 516 2HD1 LEU 66 2HD1 LEU 66 -2.377 -2.228 7.811 517 3HD1 LEU 66 3HD1 LEU 66 -1.425 -3.599 8.380 518 1HD2 LEU 66 1HD2 LEU 66 -4.696 -3.959 8.776 519 2HD2 LEU 66 2HD2 LEU 66 -4.024 -4.848 10.143 520 3HD2 LEU 66 3HD2 LEU 66 -3.181 -4.845 8.593 521 H VAL 67 H VAL 67 -0.601 -3.148 13.425 522 HA VAL 67 HA VAL 67 -2.354 -3.834 15.583 523 HB VAL 67 HB VAL 67 -0.205 -4.532 16.726 524 1HG1 VAL 67 1HG1 VAL 67 0.236 -6.299 14.794 525 2HG1 VAL 67 2HG1 VAL 67 -1.224 -6.338 15.784 526 3HG1 VAL 67 3HG1 VAL 67 -1.266 -5.614 14.176 527 1HG2 VAL 67 1HG2 VAL 67 1.108 -4.161 14.062 528 2HG2 VAL 67 2HG2 VAL 67 1.124 -2.864 15.257 529 3HG2 VAL 67 3HG2 VAL 67 1.845 -4.427 15.642 530 H SER 68 H SER 68 0.026 -1.321 14.981 531 HA SER 68 HA SER 68 0.380 -0.335 17.551 532 1HB SER 68 1HB SER 68 0.461 0.957 14.838 533 2HB SER 68 2HB SER 68 0.692 1.922 16.296 534 HG SER 68 HG SER 68 2.273 0.011 16.730 535 H GLY 69 H GLY 69 -2.224 0.244 15.247 536 1HA GLY 69 1HA GLY 69 -4.279 1.239 15.487 537 2HA GLY 69 2HA GLY 69 -4.150 0.808 17.186 538 HA PRO 70 HA PRO 70 -4.406 5.334 17.305 539 1HB PRO 70 1HB PRO 70 -5.358 5.420 19.846 540 2HB PRO 70 2HB PRO 70 -6.390 5.119 18.443 541 1HG PRO 70 1HG PRO 70 -5.216 3.166 20.384 542 2HG PRO 70 2HG PRO 70 -6.852 3.219 19.701 543 1HD PRO 70 1HD PRO 70 -4.938 1.544 18.771 544 2HD PRO 70 2HD PRO 70 -6.193 2.235 17.723 545 H SER 71 H SER 71 -2.733 6.595 17.808 546 HA SER 71 HA SER 71 -1.314 6.320 20.298 547 1HB SER 71 1HB SER 71 -0.285 4.623 18.658 548 2HB SER 71 2HB SER 71 0.344 6.028 17.797 549 HG SER 71 HG SER 71 1.764 6.326 19.328 550 H SER 72 H SER 72 0.541 7.953 20.381 551 HA SER 72 HA SER 72 -0.485 10.467 19.358 552 1HB SER 72 1HB SER 72 1.624 9.718 21.368 553 2HB SER 72 2HB SER 72 1.504 11.368 20.757 554 HG SER 72 HG SER 72 -0.693 9.969 21.870 555 H GLY 73 H GLY 73 0.326 9.060 17.227 556 1HA GLY 73 1HA GLY 73 3.073 9.486 16.546 557 2HA GLY 73 2HA GLY 73 1.796 8.976 15.452 Start of MODEL 10 1 1H GLY 1 1H GLY 1 18.746 6.549 -4.318 2 1HA GLY 1 1HA GLY 1 17.146 5.284 -2.178 3 2HA GLY 1 2HA GLY 1 18.308 4.381 -3.139 4 H SER 2 H SER 2 18.123 7.261 -1.052 5 HA SER 2 HA SER 2 20.908 7.226 -0.444 6 1HB SER 2 1HB SER 2 18.529 8.723 0.599 7 2HB SER 2 2HB SER 2 20.052 8.785 1.486 8 HG SER 2 HG SER 2 20.775 10.114 0.041 9 H SER 3 H SER 3 21.917 5.855 0.849 10 HA SER 3 HA SER 3 20.366 4.408 2.879 11 1HB SER 3 1HB SER 3 22.950 3.801 1.454 12 2HB SER 3 2HB SER 3 22.482 2.939 2.920 13 HG SER 3 HG SER 3 21.376 2.849 0.364 14 H GLY 4 H GLY 4 20.599 4.893 4.958 15 1HA GLY 4 1HA GLY 4 22.188 5.171 6.818 16 2HA GLY 4 2HA GLY 4 23.065 6.294 5.789 17 H SER 5 H SER 5 20.042 5.803 7.545 18 HA SER 5 HA SER 5 19.678 8.727 7.591 19 1HB SER 5 1HB SER 5 17.788 7.723 6.520 20 2HB SER 5 2HB SER 5 17.655 6.488 7.771 21 HG SER 5 HG SER 5 16.383 8.738 7.711 22 H SER 6 H SER 6 20.957 9.132 9.388 23 HA SER 6 HA SER 6 20.713 7.678 11.827 24 1HB SER 6 1HB SER 6 22.770 8.892 11.236 25 2HB SER 6 2HB SER 6 21.896 10.421 11.322 26 HG SER 6 HG SER 6 22.578 10.348 13.323 27 H GLY 7 H GLY 7 18.602 7.654 12.529 28 1HA GLY 7 1HA GLY 7 16.572 8.495 13.278 29 2HA GLY 7 2HA GLY 7 17.649 9.414 14.319 30 H SER 8 H SER 8 15.867 9.468 11.284 31 HA SER 8 HA SER 8 15.267 12.246 11.600 32 1HB SER 8 1HB SER 8 17.363 11.385 9.647 33 2HB SER 8 2HB SER 8 16.272 12.696 9.198 34 HG SER 8 HG SER 8 16.947 13.425 11.504 35 H LEU 9 H LEU 9 13.418 12.763 10.559 36 HA LEU 9 HA LEU 9 12.259 10.696 8.818 37 1HB LEU 9 1HB LEU 9 11.159 11.482 11.022 38 2HB LEU 9 2HB LEU 9 10.709 12.915 10.101 39 HG LEU 9 HG LEU 9 9.517 11.422 8.495 40 1HD1 LEU 9 1HD1 LEU 9 10.639 9.389 10.308 41 2HD1 LEU 9 2HD1 LEU 9 10.225 9.286 8.597 42 3HD1 LEU 9 3HD1 LEU 9 8.961 9.150 9.819 43 1HD2 LEU 9 1HD2 LEU 9 7.752 10.732 10.326 44 2HD2 LEU 9 2HD2 LEU 9 8.027 12.424 9.909 45 3HD2 LEU 9 3HD2 LEU 9 8.769 11.740 11.356 46 H ARG 10 H ARG 10 11.438 11.197 6.824 47 HA ARG 10 HA ARG 10 11.538 13.981 5.930 48 1HB ARG 10 1HB ARG 10 13.082 11.688 4.761 49 2HB ARG 10 2HB ARG 10 12.577 13.031 3.744 50 1HG ARG 10 1HG ARG 10 14.126 13.458 6.276 51 2HG ARG 10 2HG ARG 10 14.916 13.122 4.734 52 1HD ARG 10 1HD ARG 10 12.984 15.385 5.223 53 2HD ARG 10 2HD ARG 10 14.740 15.541 5.251 54 HE ARG 10 HE ARG 10 13.083 15.489 2.953 55 1HH1 ARG 10 1HH1 ARG 10 16.181 14.435 4.139 56 2HH1 ARG 10 2HH1 ARG 10 16.925 14.430 2.574 57 1HH2 ARG 10 1HH2 ARG 10 14.050 15.487 0.887 58 2HH2 ARG 10 2HH2 ARG 10 15.712 15.029 0.725 59 H LYS 11 H LYS 11 10.484 14.261 3.780 60 HA LYS 11 HA LYS 11 8.715 12.180 2.869 61 1HB LYS 11 1HB LYS 11 7.553 13.167 4.878 62 2HB LYS 11 2HB LYS 11 7.470 14.689 3.999 63 1HG LYS 11 1HG LYS 11 5.914 13.900 2.503 64 2HG LYS 11 2HG LYS 11 6.382 12.215 2.742 65 1HD LYS 11 1HD LYS 11 5.105 11.984 4.623 66 2HD LYS 11 2HD LYS 11 5.252 13.687 5.063 67 1HE LYS 11 1HE LYS 11 3.640 12.691 2.720 68 2HE LYS 11 2HE LYS 11 2.964 12.972 4.324 69 1HZ LYS 11 1HZ LYS 11 3.741 15.296 4.138 70 2HZ LYS 11 2HZ LYS 11 2.578 14.889 2.980 71 3HZ LYS 11 3HZ LYS 11 4.209 14.992 2.541 72 H GLU 12 H GLU 12 8.234 12.441 0.762 73 HA GLU 12 HA GLU 12 7.884 14.905 -0.545 74 1HB GLU 12 1HB GLU 12 10.253 15.240 -0.225 75 2HB GLU 12 2HB GLU 12 10.609 13.640 -0.861 76 1HG GLU 12 1HG GLU 12 10.312 14.276 -3.024 77 2HG GLU 12 2HG GLU 12 9.140 15.527 -2.614 78 H ARG 13 H ARG 13 6.615 14.448 -2.210 79 HA ARG 13 HA ARG 13 5.791 11.986 -3.016 80 1HB ARG 13 1HB ARG 13 4.533 13.773 -3.832 81 2HB ARG 13 2HB ARG 13 5.945 14.601 -4.475 82 1HG ARG 13 1HG ARG 13 4.742 13.806 -6.334 83 2HG ARG 13 2HG ARG 13 6.127 12.728 -6.154 84 1HD ARG 13 1HD ARG 13 3.599 11.994 -4.778 85 2HD ARG 13 2HD ARG 13 3.666 11.813 -6.531 86 HE ARG 13 HE ARG 13 5.022 10.210 -4.569 87 1HH1 ARG 13 1HH1 ARG 13 5.047 11.322 -7.869 88 2HH1 ARG 13 2HH1 ARG 13 5.975 9.980 -8.451 89 1HH2 ARG 13 1HH2 ARG 13 6.244 8.438 -5.324 90 2HH2 ARG 13 2HH2 ARG 13 6.655 8.340 -7.003 91 H ALA 14 H ALA 14 8.638 13.722 -4.117 92 HA ALA 14 HA ALA 14 9.266 11.929 -6.247 93 1HB ALA 14 1HB ALA 14 10.054 14.287 -6.109 94 2HB ALA 14 2HB ALA 14 11.141 13.798 -4.809 95 3HB ALA 14 3HB ALA 14 11.336 13.117 -6.424 96 H ARG 15 H ARG 15 10.728 12.429 -3.029 97 HA ARG 15 HA ARG 15 12.591 10.420 -3.045 98 1HB ARG 15 1HB ARG 15 10.889 11.507 -0.813 99 2HB ARG 15 2HB ARG 15 12.109 10.274 -0.524 100 1HG ARG 15 1HG ARG 15 12.924 12.722 -1.990 101 2HG ARG 15 2HG ARG 15 12.630 12.844 -0.254 102 1HD ARG 15 1HD ARG 15 14.494 10.873 -1.573 103 2HD ARG 15 2HD ARG 15 14.991 12.373 -0.791 104 HE ARG 15 HE ARG 15 13.469 10.756 0.976 105 1HH1 ARG 15 1HH1 ARG 15 16.623 11.070 -0.464 106 2HH1 ARG 15 2HH1 ARG 15 17.440 10.265 0.835 107 1HH2 ARG 15 1HH2 ARG 15 14.533 9.695 2.693 108 2HH2 ARG 15 2HH2 ARG 15 16.250 9.483 2.630 109 H SER 16 H SER 16 9.128 10.156 -2.471 110 HA SER 16 HA SER 16 7.735 8.368 -2.237 111 1HB SER 16 1HB SER 16 9.840 7.179 -4.053 112 2HB SER 16 2HB SER 16 8.311 6.384 -3.681 113 HG SER 16 HG SER 16 8.426 7.744 -5.653 114 H ALA 17 H ALA 17 9.434 8.703 -0.078 115 HA ALA 17 HA ALA 17 10.916 6.485 0.722 116 1HB ALA 17 1HB ALA 17 9.372 7.899 2.811 117 2HB ALA 17 2HB ALA 17 11.092 7.516 2.732 118 3HB ALA 17 3HB ALA 17 10.449 8.877 1.814 119 H GLU 18 H GLU 18 7.510 7.245 1.465 120 HA GLU 18 HA GLU 18 6.955 4.378 1.599 121 1HB GLU 18 1HB GLU 18 6.614 6.338 3.836 122 2HB GLU 18 2HB GLU 18 5.474 5.009 3.675 123 1HG GLU 18 1HG GLU 18 7.204 3.393 3.923 124 2HG GLU 18 2HG GLU 18 8.452 4.633 3.827 125 H GLU 19 H GLU 19 5.536 4.219 -0.026 126 HA GLU 19 HA GLU 19 3.682 6.289 -0.693 127 1HB GLU 19 1HB GLU 19 3.760 3.411 -1.617 128 2HB GLU 19 2HB GLU 19 2.829 4.706 -2.357 129 1HG GLU 19 1HG GLU 19 4.705 4.472 -3.717 130 2HG GLU 19 2HG GLU 19 5.053 5.883 -2.720 131 HA PRO 20 HA PRO 20 0.334 5.262 1.966 132 1HB PRO 20 1HB PRO 20 -1.727 6.237 0.493 133 2HB PRO 20 2HB PRO 20 -0.583 7.277 1.349 134 1HG PRO 20 1HG PRO 20 -0.647 6.509 -1.544 135 2HG PRO 20 2HG PRO 20 -0.335 8.095 -0.814 136 1HD PRO 20 1HD PRO 20 1.650 6.489 -1.716 137 2HD PRO 20 2HD PRO 20 1.859 7.579 -0.331 138 H TRP 21 H TRP 21 -1.956 4.271 1.795 139 HA TRP 21 HA TRP 21 -1.897 2.047 -0.138 140 1HB TRP 21 1HB TRP 21 -2.664 2.018 2.782 141 2HB TRP 21 2HB TRP 21 -3.079 0.716 1.670 142 HD1 TRP 21 HD1 TRP 21 0.218 2.591 2.558 143 HE1 TRP 21 HE1 TRP 21 2.079 0.829 2.795 144 HE3 TRP 21 HE3 TRP 21 -2.508 -1.611 1.536 145 HZ2 TRP 21 HZ2 TRP 21 2.355 -1.972 2.577 146 HZ3 TRP 21 HZ3 TRP 21 -1.370 -3.792 1.569 147 HH2 TRP 21 HH2 TRP 21 1.011 -3.967 2.079 148 H THR 22 H THR 22 -3.597 1.966 -1.442 149 HA THR 22 HA THR 22 -5.753 3.783 -1.247 150 HB THR 22 HB THR 22 -6.560 2.891 -3.241 151 HG1 THR 22 HG1 THR 22 -5.161 0.460 -3.025 152 1HG2 THR 22 1HG2 THR 22 -4.752 3.084 -4.580 153 2HG2 THR 22 2HG2 THR 22 -3.869 1.807 -3.744 154 3HG2 THR 22 3HG2 THR 22 -3.908 3.437 -3.073 155 H GLN 23 H GLN 23 -8.081 2.666 -1.681 156 HA GLN 23 HA GLN 23 -8.822 1.589 0.852 157 1HB GLN 23 1HB GLN 23 -11.097 1.476 -0.127 158 2HB GLN 23 2HB GLN 23 -10.346 3.055 -0.316 159 1HG GLN 23 1HG GLN 23 -9.741 2.447 -2.632 160 2HG GLN 23 2HG GLN 23 -10.607 0.926 -2.426 161 1HE2 GLN 23 1HE2 GLN 23 -12.203 1.236 -3.883 162 2HE2 GLN 23 2HE2 GLN 23 -13.393 2.483 -3.770 163 H ASN 24 H ASN 24 -8.791 0.262 -2.449 164 HA ASN 24 HA ASN 24 -9.709 -2.306 -1.768 165 1HB ASN 24 1HB ASN 24 -9.432 -1.169 -4.098 166 2HB ASN 24 2HB ASN 24 -7.806 -1.843 -4.044 167 1HD2 ASN 24 1HD2 ASN 24 -10.652 -2.367 -5.351 168 2HD2 ASN 24 2HD2 ASN 24 -10.703 -4.094 -5.377 169 H GLN 25 H GLN 25 -6.403 -1.078 -2.238 170 HA GLN 25 HA GLN 25 -5.025 -3.443 -1.754 171 1HB GLN 25 1HB GLN 25 -4.352 -0.547 -1.499 172 2HB GLN 25 2HB GLN 25 -3.239 -1.727 -0.820 173 1HG GLN 25 1HG GLN 25 -2.633 -1.050 -3.098 174 2HG GLN 25 2HG GLN 25 -2.966 -2.776 -2.968 175 1HE2 GLN 25 1HE2 GLN 25 -3.429 -0.147 -4.840 176 2HE2 GLN 25 2HE2 GLN 25 -4.864 -0.621 -5.677 177 H GLN 26 H GLN 26 -5.553 -0.803 0.591 178 HA GLN 26 HA GLN 26 -4.582 -1.989 2.850 179 1HB GLN 26 1HB GLN 26 -5.410 0.322 2.767 180 2HB GLN 26 2HB GLN 26 -7.063 -0.271 2.662 181 1HG GLN 26 1HG GLN 26 -6.546 0.468 4.910 182 2HG GLN 26 2HG GLN 26 -6.858 -1.266 4.874 183 1HE2 GLN 26 1HE2 GLN 26 -5.048 -2.701 4.982 184 2HE2 GLN 26 2HE2 GLN 26 -3.590 -2.203 5.763 185 H LYS 27 H LYS 27 -7.463 -2.800 1.120 186 HA LYS 27 HA LYS 27 -8.584 -4.362 3.289 187 1HB LYS 27 1HB LYS 27 -10.264 -3.412 1.989 188 2HB LYS 27 2HB LYS 27 -9.414 -3.723 0.481 189 1HG LYS 27 1HG LYS 27 -9.965 -6.036 0.554 190 2HG LYS 27 2HG LYS 27 -10.592 -5.893 2.198 191 1HD LYS 27 1HD LYS 27 -12.313 -4.302 1.297 192 2HD LYS 27 2HD LYS 27 -11.757 -4.723 -0.324 193 1HE LYS 27 1HE LYS 27 -12.398 -7.003 -0.029 194 2HE LYS 27 2HE LYS 27 -12.719 -6.750 1.686 195 1HZ LYS 27 1HZ LYS 27 -14.247 -4.944 0.147 196 2HZ LYS 27 2HZ LYS 27 -14.780 -6.145 1.211 197 3HZ LYS 27 3HZ LYS 27 -14.508 -6.518 -0.417 198 H LEU 28 H LEU 28 -7.230 -5.006 0.060 199 HA LEU 28 HA LEU 28 -7.403 -7.753 0.021 200 1HB LEU 28 1HB LEU 28 -5.227 -5.969 -1.052 201 2HB LEU 28 2HB LEU 28 -5.370 -7.683 -1.435 202 HG LEU 28 HG LEU 28 -7.494 -5.641 -2.073 203 1HD1 LEU 28 1HD1 LEU 28 -6.655 -5.463 -4.251 204 2HD1 LEU 28 2HD1 LEU 28 -5.559 -6.828 -4.036 205 3HD1 LEU 28 3HD1 LEU 28 -5.238 -5.302 -3.213 206 1HD2 LEU 28 1HD2 LEU 28 -8.142 -7.474 -3.702 207 2HD2 LEU 28 2HD2 LEU 28 -8.456 -7.789 -1.995 208 3HD2 LEU 28 3HD2 LEU 28 -7.064 -8.529 -2.787 209 H LEU 29 H LEU 29 -5.084 -5.723 1.697 210 HA LEU 29 HA LEU 29 -3.282 -7.794 2.414 211 1HB LEU 29 1HB LEU 29 -2.472 -5.579 2.487 212 2HB LEU 29 2HB LEU 29 -3.808 -5.045 3.504 213 HG LEU 29 HG LEU 29 -2.737 -6.744 5.216 214 1HD1 LEU 29 1HD1 LEU 29 -0.277 -6.706 5.045 215 2HD1 LEU 29 2HD1 LEU 29 -0.421 -5.991 3.440 216 3HD1 LEU 29 3HD1 LEU 29 -1.039 -7.615 3.740 217 1HD2 LEU 29 1HD2 LEU 29 -2.866 -4.051 5.004 218 2HD2 LEU 29 2HD2 LEU 29 -1.119 -4.294 5.023 219 3HD2 LEU 29 3HD2 LEU 29 -2.109 -4.904 6.350 220 H GLU 30 H GLU 30 -5.599 -6.004 4.458 221 HA GLU 30 HA GLU 30 -5.468 -7.448 6.751 222 1HB GLU 30 1HB GLU 30 -7.978 -6.387 5.442 223 2HB GLU 30 2HB GLU 30 -7.859 -6.884 7.124 224 1HG GLU 30 1HG GLU 30 -6.437 -5.103 7.667 225 2HG GLU 30 2HG GLU 30 -6.089 -4.756 5.974 226 H LEU 31 H LEU 31 -7.716 -8.191 4.081 227 HA LEU 31 HA LEU 31 -8.822 -10.507 5.067 228 1HB LEU 31 1HB LEU 31 -8.255 -9.503 2.323 229 2HB LEU 31 2HB LEU 31 -8.801 -11.168 2.513 230 HG LEU 31 HG LEU 31 -10.615 -9.562 1.972 231 1HD1 LEU 31 1HD1 LEU 31 -11.262 -10.497 4.701 232 2HD1 LEU 31 2HD1 LEU 31 -10.708 -11.714 3.551 233 3HD1 LEU 31 3HD1 LEU 31 -12.126 -10.733 3.182 234 1HD2 LEU 31 1HD2 LEU 31 -9.814 -8.410 4.632 235 2HD2 LEU 31 2HD2 LEU 31 -11.404 -8.145 3.915 236 3HD2 LEU 31 3HD2 LEU 31 -9.954 -7.585 3.080 237 H ALA 32 H ALA 32 -5.768 -10.120 3.325 238 HA ALA 32 HA ALA 32 -5.152 -12.869 3.121 239 1HB ALA 32 1HB ALA 32 -3.916 -10.391 2.438 240 2HB ALA 32 2HB ALA 32 -2.740 -11.412 3.267 241 3HB ALA 32 3HB ALA 32 -3.569 -12.009 1.829 242 H LEU 33 H LEU 33 -3.933 -10.395 5.386 243 HA LEU 33 HA LEU 33 -2.271 -11.765 6.978 244 1HB LEU 33 1HB LEU 33 -4.326 -9.706 7.557 245 2HB LEU 33 2HB LEU 33 -3.581 -10.517 8.933 246 HG LEU 33 HG LEU 33 -2.574 -8.301 8.210 247 1HD1 LEU 33 1HD1 LEU 33 -1.453 -10.586 9.299 248 2HD1 LEU 33 2HD1 LEU 33 -0.765 -8.962 9.321 249 3HD1 LEU 33 3HD1 LEU 33 -0.308 -10.096 8.050 250 1HD2 LEU 33 1HD2 LEU 33 -2.674 -8.860 5.767 251 2HD2 LEU 33 2HD2 LEU 33 -1.341 -9.983 6.037 252 3HD2 LEU 33 3HD2 LEU 33 -1.114 -8.258 6.331 253 H GLN 34 H GLN 34 -5.766 -12.144 6.922 254 HA GLN 34 HA GLN 34 -5.953 -13.817 9.202 255 1HB GLN 34 1HB GLN 34 -7.814 -13.665 6.825 256 2HB GLN 34 2HB GLN 34 -8.196 -14.342 8.403 257 1HG GLN 34 1HG GLN 34 -7.499 -11.915 9.198 258 2HG GLN 34 2HG GLN 34 -7.978 -11.514 7.550 259 1HE2 GLN 34 1HE2 GLN 34 -9.945 -10.712 7.553 260 2HE2 GLN 34 2HE2 GLN 34 -11.288 -11.305 8.462 261 H GLN 35 H GLN 35 -5.704 -14.487 5.729 262 HA GLN 35 HA GLN 35 -5.805 -17.322 6.047 263 1HB GLN 35 1HB GLN 35 -5.080 -15.498 3.770 264 2HB GLN 35 2HB GLN 35 -4.874 -17.240 3.640 265 1HG GLN 35 1HG GLN 35 -7.235 -17.583 4.027 266 2HG GLN 35 2HG GLN 35 -7.470 -15.852 4.264 267 1HE2 GLN 35 1HE2 GLN 35 -6.280 -14.628 2.303 268 2HE2 GLN 35 2HE2 GLN 35 -6.840 -15.149 0.754 269 H TYR 36 H TYR 36 -3.183 -15.005 5.426 270 HA TYR 36 HA TYR 36 -1.247 -17.124 6.069 271 1HB TYR 36 1HB TYR 36 -0.402 -14.519 4.878 272 2HB TYR 36 2HB TYR 36 0.289 -16.124 4.667 273 HD1 TYR 36 HD1 TYR 36 -2.713 -14.093 3.804 274 HD2 TYR 36 HD2 TYR 36 -0.193 -17.355 2.748 275 HE1 TYR 36 HE1 TYR 36 -3.913 -14.321 1.670 276 HE2 TYR 36 HE2 TYR 36 -1.386 -17.592 0.610 277 HH TYR 36 HH TYR 36 -3.365 -17.019 -0.467 278 HA PRO 37 HA PRO 37 -1.226 -14.402 9.793 279 1HB PRO 37 1HB PRO 37 -0.860 -16.444 11.545 280 2HB PRO 37 2HB PRO 37 -2.454 -15.954 10.961 281 1HG PRO 37 1HG PRO 37 -0.715 -18.212 10.047 282 2HG PRO 37 2HG PRO 37 -2.464 -18.193 10.335 283 1HD PRO 37 1HD PRO 37 -1.394 -18.010 7.855 284 2HD PRO 37 2HD PRO 37 -2.915 -17.211 8.300 285 H ARG 38 H ARG 38 0.449 -14.675 11.730 286 HA ARG 38 HA ARG 38 3.032 -14.415 10.542 287 1HB ARG 38 1HB ARG 38 1.997 -14.276 13.360 288 2HB ARG 38 2HB ARG 38 3.723 -14.234 13.028 289 1HG ARG 38 1HG ARG 38 3.246 -12.002 13.101 290 2HG ARG 38 2HG ARG 38 3.050 -12.319 11.376 291 1HD ARG 38 1HD ARG 38 1.116 -11.175 11.782 292 2HD ARG 38 2HD ARG 38 0.565 -12.819 12.103 293 HE ARG 38 HE ARG 38 1.069 -10.727 14.078 294 1HH1 ARG 38 1HH1 ARG 38 0.147 -14.008 13.367 295 2HH1 ARG 38 2HH1 ARG 38 -0.551 -14.288 14.929 296 1HH2 ARG 38 1HH2 ARG 38 0.154 -11.083 16.137 297 2HH2 ARG 38 2HH2 ARG 38 -0.546 -12.624 16.503 298 H GLY 39 H GLY 39 4.904 -15.493 12.008 299 1HA GLY 39 1HA GLY 39 5.349 -17.656 13.188 300 2HA GLY 39 2HA GLY 39 4.341 -18.394 11.952 301 H SER 40 H SER 40 5.369 -16.844 9.761 302 HA SER 40 HA SER 40 8.203 -17.550 9.666 303 1HB SER 40 1HB SER 40 6.091 -18.655 7.810 304 2HB SER 40 2HB SER 40 7.807 -18.637 7.400 305 HG SER 40 HG SER 40 6.679 -20.531 8.626 306 H SER 41 H SER 41 9.314 -15.935 8.804 307 HA SER 41 HA SER 41 8.271 -13.557 7.913 308 1HB SER 41 1HB SER 41 10.467 -13.024 7.064 309 2HB SER 41 2HB SER 41 10.663 -13.981 8.533 310 HG SER 41 HG SER 41 12.026 -14.696 6.827 311 H ASP 42 H ASP 42 9.033 -16.437 6.035 312 HA ASP 42 HA ASP 42 8.751 -15.380 3.466 313 1HB ASP 42 1HB ASP 42 8.210 -17.731 2.791 314 2HB ASP 42 2HB ASP 42 9.670 -17.583 3.766 315 H CYS 43 H CYS 43 6.353 -16.424 5.796 316 HA CYS 43 HA CYS 43 4.100 -16.761 4.299 317 1HB CYS 43 1HB CYS 43 4.506 -16.678 6.914 318 2HB CYS 43 2HB CYS 43 3.868 -15.048 6.734 319 HG CYS 43 HG CYS 43 1.940 -17.213 5.153 320 H TRP 44 H TRP 44 5.334 -13.641 5.488 321 HA TRP 44 HA TRP 44 3.444 -11.922 4.546 322 1HB TRP 44 1HB TRP 44 6.447 -11.590 4.558 323 2HB TRP 44 2HB TRP 44 5.328 -10.273 4.216 324 HD1 TRP 44 HD1 TRP 44 7.003 -12.022 7.038 325 HE1 TRP 44 HE1 TRP 44 6.116 -11.135 9.285 326 HE3 TRP 44 HE3 TRP 44 2.960 -9.397 5.335 327 HZ2 TRP 44 HZ2 TRP 44 3.984 -9.535 10.214 328 HZ3 TRP 44 HZ3 TRP 44 1.547 -8.217 6.968 329 HH2 TRP 44 HH2 TRP 44 2.050 -8.286 9.356 330 H ASP 45 H ASP 45 5.888 -13.610 2.683 331 HA ASP 45 HA ASP 45 5.770 -12.209 0.290 332 1HB ASP 45 1HB ASP 45 7.187 -14.313 1.076 333 2HB ASP 45 2HB ASP 45 5.940 -15.185 0.189 334 H LYS 46 H LYS 46 3.727 -14.877 1.424 335 HA LYS 46 HA LYS 46 2.160 -15.067 -0.924 336 1HB LYS 46 1HB LYS 46 1.755 -15.959 1.919 337 2HB LYS 46 2HB LYS 46 0.498 -16.180 0.709 338 1HG LYS 46 1HG LYS 46 1.685 -17.765 -0.437 339 2HG LYS 46 2HG LYS 46 3.246 -17.144 0.102 340 1HD LYS 46 1HD LYS 46 3.139 -19.025 1.387 341 2HD LYS 46 2HD LYS 46 2.306 -17.903 2.465 342 1HE LYS 46 1HE LYS 46 0.869 -19.708 2.458 343 2HE LYS 46 2HE LYS 46 0.175 -18.690 1.196 344 1HZ LYS 46 1HZ LYS 46 1.030 -20.053 -0.471 345 2HZ LYS 46 2HZ LYS 46 0.465 -21.146 0.689 346 3HZ LYS 46 3HZ LYS 46 2.121 -20.824 0.567 347 H ILE 47 H ILE 47 1.898 -13.133 1.995 348 HA ILE 47 HA ILE 47 -0.736 -12.215 1.637 349 HB ILE 47 HB ILE 47 1.584 -10.835 2.992 350 1HG1 ILE 47 1HG1 ILE 47 -0.658 -12.244 4.396 351 2HG1 ILE 47 2HG1 ILE 47 0.688 -13.179 3.756 352 1HG2 ILE 47 1HG2 ILE 47 -1.190 -10.276 3.819 353 2HG2 ILE 47 2HG2 ILE 47 0.204 -9.203 3.718 354 3HG2 ILE 47 3HG2 ILE 47 -0.698 -9.616 2.260 355 1HD1 ILE 47 1HD1 ILE 47 0.522 -11.764 6.195 356 2HD1 ILE 47 2HD1 ILE 47 1.871 -12.705 5.556 357 3HD1 ILE 47 3HD1 ILE 47 1.749 -10.982 5.198 358 H ALA 48 H ALA 48 2.364 -11.005 0.459 359 HA ALA 48 HA ALA 48 1.429 -8.579 -0.622 360 1HB ALA 48 1HB ALA 48 3.883 -9.940 -0.464 361 2HB ALA 48 2HB ALA 48 3.598 -9.621 -2.175 362 3HB ALA 48 3HB ALA 48 3.593 -8.290 -1.018 363 H ARG 49 H ARG 49 1.224 -11.849 -1.735 364 HA ARG 49 HA ARG 49 0.934 -11.467 -4.484 365 1HB ARG 49 1HB ARG 49 -0.389 -13.524 -2.706 366 2HB ARG 49 2HB ARG 49 -0.310 -13.608 -4.460 367 1HG ARG 49 1HG ARG 49 2.129 -13.718 -4.348 368 2HG ARG 49 2HG ARG 49 2.047 -13.637 -2.587 369 1HD ARG 49 1HD ARG 49 2.327 -15.929 -3.230 370 2HD ARG 49 2HD ARG 49 0.689 -15.718 -2.613 371 HE ARG 49 HE ARG 49 1.465 -16.356 -5.327 372 1HH1 ARG 49 1HH1 ARG 49 -1.051 -15.236 -3.198 373 2HH1 ARG 49 2HH1 ARG 49 -2.335 -15.657 -4.281 374 1HH2 ARG 49 1HH2 ARG 49 -0.217 -16.915 -6.762 375 2HH2 ARG 49 2HH2 ARG 49 -1.860 -16.613 -6.308 376 H CYS 50 H CYS 50 -1.500 -11.409 -1.904 377 HA CYS 50 HA CYS 50 -3.707 -10.955 -3.627 378 1HB CYS 50 1HB CYS 50 -3.590 -11.741 -1.110 379 2HB CYS 50 2HB CYS 50 -3.726 -10.016 -0.788 380 HG CYS 50 HG CYS 50 -5.998 -10.964 -2.994 381 H VAL 51 H VAL 51 -1.156 -8.979 -2.720 382 HA VAL 51 HA VAL 51 -2.719 -6.541 -3.272 383 HB VAL 51 HB VAL 51 -0.021 -6.514 -1.956 384 1HG1 VAL 51 1HG1 VAL 51 -2.259 -4.606 -1.444 385 2HG1 VAL 51 2HG1 VAL 51 -0.516 -4.340 -1.374 386 3HG1 VAL 51 3HG1 VAL 51 -1.327 -4.474 -2.934 387 1HG2 VAL 51 1HG2 VAL 51 -2.656 -6.698 -0.502 388 2HG2 VAL 51 2HG2 VAL 51 -1.509 -8.027 -0.669 389 3HG2 VAL 51 3HG2 VAL 51 -1.052 -6.574 0.220 390 HA PRO 52 HA PRO 52 -0.080 -7.046 -6.983 391 1HB PRO 52 1HB PRO 52 -1.840 -5.824 -8.650 392 2HB PRO 52 2HB PRO 52 -1.954 -7.535 -8.219 393 1HG PRO 52 1HG PRO 52 -3.457 -5.197 -7.108 394 2HG PRO 52 2HG PRO 52 -4.057 -6.806 -7.548 395 1HD PRO 52 1HD PRO 52 -3.532 -6.097 -4.988 396 2HD PRO 52 2HD PRO 52 -3.321 -7.757 -5.582 397 H SER 53 H SER 53 -0.901 -4.557 -4.996 398 HA SER 53 HA SER 53 0.294 -2.499 -6.725 399 1HB SER 53 1HB SER 53 -1.735 -1.624 -5.978 400 2HB SER 53 2HB SER 53 -1.587 -2.373 -4.388 401 HG SER 53 HG SER 53 0.065 -0.879 -3.915 402 H LYS 54 H LYS 54 0.383 -3.764 -3.405 403 HA LYS 54 HA LYS 54 3.025 -2.529 -3.052 404 1HB LYS 54 1HB LYS 54 1.352 -3.814 -0.899 405 2HB LYS 54 2HB LYS 54 2.698 -2.699 -0.703 406 1HG LYS 54 1HG LYS 54 0.243 -1.817 -2.152 407 2HG LYS 54 2HG LYS 54 0.259 -1.866 -0.388 408 1HD LYS 54 1HD LYS 54 1.970 -0.271 -0.247 409 2HD LYS 54 2HD LYS 54 2.430 -0.487 -1.938 410 1HE LYS 54 1HE LYS 54 -0.067 0.324 -2.322 411 2HE LYS 54 2HE LYS 54 0.201 1.078 -0.751 412 1HZ LYS 54 1HZ LYS 54 1.651 2.547 -1.607 413 2HZ LYS 54 2HZ LYS 54 0.852 2.219 -3.061 414 3HZ LYS 54 3HZ LYS 54 2.315 1.446 -2.707 415 H SER 55 H SER 55 4.752 -3.759 -2.144 416 HA SER 55 HA SER 55 4.686 -6.547 -3.003 417 1HB SER 55 1HB SER 55 6.879 -4.596 -2.367 418 2HB SER 55 2HB SER 55 7.215 -6.327 -2.398 419 HG SER 55 HG SER 55 6.566 -4.595 -4.479 420 H LYS 56 H LYS 56 6.118 -8.040 -1.571 421 HA LYS 56 HA LYS 56 4.787 -8.571 0.788 422 1HB LYS 56 1HB LYS 56 6.121 -10.280 -0.207 423 2HB LYS 56 2HB LYS 56 7.578 -9.301 -0.095 424 1HG LYS 56 1HG LYS 56 6.101 -10.132 2.370 425 2HG LYS 56 2HG LYS 56 7.237 -11.225 1.577 426 1HD LYS 56 1HD LYS 56 8.792 -9.081 1.670 427 2HD LYS 56 2HD LYS 56 7.738 -8.677 3.027 428 1HE LYS 56 1HE LYS 56 8.233 -10.897 4.009 429 2HE LYS 56 2HE LYS 56 9.366 -11.195 2.692 430 1HZ LYS 56 1HZ LYS 56 9.732 -9.683 5.080 431 2HZ LYS 56 2HZ LYS 56 10.098 -8.760 3.710 432 3HZ LYS 56 3HZ LYS 56 10.885 -10.234 3.971 433 H GLU 57 H GLU 57 7.930 -6.936 0.409 434 HA GLU 57 HA GLU 57 8.497 -6.439 3.061 435 1HB GLU 57 1HB GLU 57 9.126 -4.957 0.534 436 2HB GLU 57 2HB GLU 57 9.593 -4.275 2.086 437 1HG GLU 57 1HG GLU 57 10.900 -6.258 2.588 438 2HG GLU 57 2HG GLU 57 10.400 -6.989 1.064 439 H ASP 58 H ASP 58 6.417 -4.609 0.872 440 HA ASP 58 HA ASP 58 5.907 -2.443 2.606 441 1HB ASP 58 1HB ASP 58 4.246 -3.581 0.349 442 2HB ASP 58 2HB ASP 58 3.918 -2.048 1.152 443 H CYS 59 H CYS 59 4.313 -5.557 2.150 444 HA CYS 59 HA CYS 59 2.022 -5.146 3.660 445 1HB CYS 59 1HB CYS 59 3.685 -7.608 3.162 446 2HB CYS 59 2HB CYS 59 2.212 -7.667 4.123 447 HG CYS 59 HG CYS 59 0.484 -7.488 2.171 448 H ILE 60 H ILE 60 5.184 -6.369 4.741 449 HA ILE 60 HA ILE 60 4.500 -6.653 7.453 450 HB ILE 60 HB ILE 60 7.175 -6.214 6.132 451 1HG1 ILE 60 1HG1 ILE 60 6.338 -8.733 7.496 452 2HG1 ILE 60 2HG1 ILE 60 5.642 -8.372 5.921 453 1HG2 ILE 60 1HG2 ILE 60 7.177 -5.405 8.474 454 2HG2 ILE 60 2HG2 ILE 60 6.665 -7.010 8.993 455 3HG2 ILE 60 3HG2 ILE 60 8.232 -6.794 8.215 456 1HD1 ILE 60 1HD1 ILE 60 8.369 -9.182 6.646 457 2HD1 ILE 60 2HD1 ILE 60 7.439 -9.488 5.179 458 3HD1 ILE 60 3HD1 ILE 60 8.245 -7.936 5.404 459 H ALA 61 H ALA 61 6.059 -3.980 5.708 460 HA ALA 61 HA ALA 61 6.524 -2.300 7.886 461 1HB ALA 61 1HB ALA 61 7.450 -1.959 5.623 462 2HB ALA 61 2HB ALA 61 5.852 -1.456 5.071 463 3HB ALA 61 3HB ALA 61 6.705 -0.503 6.285 464 H ARG 62 H ARG 62 3.593 -3.029 6.173 465 HA ARG 62 HA ARG 62 2.136 -0.755 7.172 466 1HB ARG 62 1HB ARG 62 1.646 -1.959 5.001 467 2HB ARG 62 2HB ARG 62 0.996 -3.276 5.969 468 1HG ARG 62 1HG ARG 62 -0.847 -1.979 5.288 469 2HG ARG 62 2HG ARG 62 -0.578 -1.593 6.989 470 1HD ARG 62 1HD ARG 62 0.749 0.397 6.219 471 2HD ARG 62 2HD ARG 62 0.190 0.048 4.583 472 HE ARG 62 HE ARG 62 -2.019 0.216 6.323 473 1HH1 ARG 62 1HH1 ARG 62 0.395 2.218 4.812 474 2HH1 ARG 62 2HH1 ARG 62 -0.605 3.633 4.791 475 1HH2 ARG 62 1HH2 ARG 62 -3.344 2.072 6.302 476 2HH2 ARG 62 2HH2 ARG 62 -2.731 3.549 5.640 477 H TYR 63 H TYR 63 2.190 -4.242 7.855 478 HA TYR 63 HA TYR 63 0.221 -4.484 9.716 479 1HB TYR 63 1HB TYR 63 1.603 -6.365 8.963 480 2HB TYR 63 2HB TYR 63 2.973 -5.733 9.869 481 HD1 TYR 63 HD1 TYR 63 -0.407 -7.201 10.200 482 HD2 TYR 63 HD2 TYR 63 3.209 -6.166 12.189 483 HE1 TYR 63 HE1 TYR 63 -1.133 -8.479 12.172 484 HE2 TYR 63 HE2 TYR 63 2.493 -7.441 14.166 485 HH TYR 63 HH TYR 63 0.790 -8.523 15.142 486 H LYS 64 H LYS 64 3.448 -3.151 10.220 487 HA LYS 64 HA LYS 64 3.544 -2.933 12.955 488 1HB LYS 64 1HB LYS 64 4.551 -1.105 10.786 489 2HB LYS 64 2HB LYS 64 4.840 -0.756 12.486 490 1HG LYS 64 1HG LYS 64 6.311 -2.477 12.735 491 2HG LYS 64 2HG LYS 64 5.551 -3.457 11.479 492 1HD LYS 64 1HD LYS 64 6.427 -1.769 9.812 493 2HD LYS 64 2HD LYS 64 7.383 -1.091 11.132 494 1HE LYS 64 1HE LYS 64 8.107 -3.616 11.425 495 2HE LYS 64 2HE LYS 64 7.653 -3.699 9.724 496 1HZ LYS 64 1HZ LYS 64 9.948 -2.486 10.942 497 2HZ LYS 64 2HZ LYS 64 9.156 -1.444 9.871 498 3HZ LYS 64 3HZ LYS 64 9.700 -2.953 9.335 499 H LEU 65 H LEU 65 1.847 -0.845 10.668 500 HA LEU 65 HA LEU 65 0.957 0.969 12.720 501 1HB LEU 65 1HB LEU 65 0.037 0.683 9.864 502 2HB LEU 65 2HB LEU 65 -0.321 2.031 10.940 503 HG LEU 65 HG LEU 65 2.338 2.176 10.996 504 1HD1 LEU 65 1HD1 LEU 65 1.668 0.573 8.593 505 2HD1 LEU 65 2HD1 LEU 65 3.109 0.548 9.609 506 3HD1 LEU 65 3HD1 LEU 65 2.887 1.837 8.426 507 1HD2 LEU 65 1HD2 LEU 65 2.183 3.932 9.368 508 2HD2 LEU 65 2HD2 LEU 65 0.705 3.926 10.329 509 3HD2 LEU 65 3HD2 LEU 65 0.701 3.246 8.702 510 H LEU 66 H LEU 66 -0.366 -1.761 10.943 511 HA LEU 66 HA LEU 66 -3.054 -1.512 11.635 512 1HB LEU 66 1HB LEU 66 -1.276 -3.750 10.842 513 2HB LEU 66 2HB LEU 66 -2.835 -4.164 11.553 514 HG LEU 66 HG LEU 66 -2.742 -2.251 9.263 515 1HD1 LEU 66 1HD1 LEU 66 -1.747 -3.746 7.948 516 2HD1 LEU 66 2HD1 LEU 66 -3.210 -4.716 8.112 517 3HD1 LEU 66 3HD1 LEU 66 -1.836 -5.007 9.179 518 1HD2 LEU 66 1HD2 LEU 66 -4.937 -2.961 8.891 519 2HD2 LEU 66 2HD2 LEU 66 -4.805 -2.872 10.647 520 3HD2 LEU 66 3HD2 LEU 66 -4.718 -4.435 9.834 521 H VAL 67 H VAL 67 -0.417 -3.166 13.342 522 HA VAL 67 HA VAL 67 -1.981 -4.167 15.463 523 HB VAL 67 HB VAL 67 0.161 -4.381 16.695 524 1HG1 VAL 67 1HG1 VAL 67 0.655 -6.240 15.544 525 2HG1 VAL 67 2HG1 VAL 67 -0.692 -5.770 14.506 526 3HG1 VAL 67 3HG1 VAL 67 0.960 -5.351 14.053 527 1HG2 VAL 67 1HG2 VAL 67 1.043 -2.222 15.512 528 2HG2 VAL 67 2HG2 VAL 67 2.163 -3.507 15.966 529 3HG2 VAL 67 3HG2 VAL 67 1.615 -3.364 14.295 530 H SER 68 H SER 68 -0.846 -1.014 14.753 531 HA SER 68 HA SER 68 -1.004 -0.078 17.495 532 1HB SER 68 1HB SER 68 -0.142 1.962 16.716 533 2HB SER 68 2HB SER 68 0.629 0.769 15.672 534 HG SER 68 HG SER 68 -0.493 1.475 14.010 535 H GLY 69 H GLY 69 -3.402 -1.206 16.601 536 1HA GLY 69 1HA GLY 69 -5.127 1.180 16.331 537 2HA GLY 69 2HA GLY 69 -5.533 -0.393 15.661 538 HA PRO 70 HA PRO 70 -6.054 -0.539 20.500 539 1HB PRO 70 1HB PRO 70 -6.486 1.886 21.642 540 2HB PRO 70 2HB PRO 70 -4.878 1.169 21.489 541 1HG PRO 70 1HG PRO 70 -6.197 3.243 19.780 542 2HG PRO 70 2HG PRO 70 -4.530 3.184 20.382 543 1HD PRO 70 1HD PRO 70 -5.192 2.470 17.855 544 2HD PRO 70 2HD PRO 70 -3.856 1.709 18.743 545 H SER 71 H SER 71 -7.702 1.448 18.224 546 HA SER 71 HA SER 71 -10.166 1.712 19.631 547 1HB SER 71 1HB SER 71 -11.081 2.355 17.397 548 2HB SER 71 2HB SER 71 -9.639 3.264 17.848 549 HG SER 71 HG SER 71 -8.429 1.860 16.514 550 H SER 72 H SER 72 -11.651 0.214 19.993 551 HA SER 72 HA SER 72 -11.715 -2.154 18.238 552 1HB SER 72 1HB SER 72 -10.970 -2.488 20.661 553 2HB SER 72 2HB SER 72 -12.634 -2.115 21.113 554 HG SER 72 HG SER 72 -12.999 -3.864 19.338 555 H GLY 73 H GLY 73 -13.727 -3.014 17.663 556 1HA GLY 73 1HA GLY 73 -16.113 -3.066 17.726 557 2HA GLY 73 2HA GLY 73 -16.098 -1.448 18.413 Start of MODEL 11 1 1H GLY 1 1H GLY 1 3.649 20.971 2.467 2 1HA GLY 1 1HA GLY 1 1.027 22.327 2.624 3 2HA GLY 1 2HA GLY 1 2.480 23.144 2.067 4 H SER 2 H SER 2 3.258 22.759 0.000 5 HA SER 2 HA SER 2 1.456 22.344 -2.026 6 1HB SER 2 1HB SER 2 3.818 23.277 -2.198 7 2HB SER 2 2HB SER 2 4.374 21.605 -2.273 8 HG SER 2 HG SER 2 4.013 21.855 -4.334 9 H SER 3 H SER 3 0.792 20.639 -3.282 10 HA SER 3 HA SER 3 1.090 18.009 -2.073 11 1HB SER 3 1HB SER 3 -1.142 18.992 -2.830 12 2HB SER 3 2HB SER 3 -0.594 18.701 -4.481 13 HG SER 3 HG SER 3 -0.647 16.554 -4.137 14 H GLY 4 H GLY 4 1.602 19.564 -5.227 15 1HA GLY 4 1HA GLY 4 3.815 17.789 -5.773 16 2HA GLY 4 2HA GLY 4 2.417 17.518 -6.803 17 H SER 5 H SER 5 5.269 18.702 -7.099 18 HA SER 5 HA SER 5 4.440 20.791 -8.953 19 1HB SER 5 1HB SER 5 6.340 21.237 -6.651 20 2HB SER 5 2HB SER 5 6.334 22.268 -8.082 21 HG SER 5 HG SER 5 3.976 22.464 -7.588 22 H SER 6 H SER 6 5.302 20.219 -10.825 23 HA SER 6 HA SER 6 7.324 18.334 -11.179 24 1HB SER 6 1HB SER 6 6.534 20.540 -13.097 25 2HB SER 6 2HB SER 6 7.369 19.044 -13.515 26 HG SER 6 HG SER 6 5.364 18.082 -12.425 27 H GLY 7 H GLY 7 9.509 18.434 -11.469 28 1HA GLY 7 1HA GLY 7 11.625 19.243 -11.044 29 2HA GLY 7 2HA GLY 7 11.114 20.553 -12.098 30 H SER 8 H SER 8 10.004 19.679 -8.841 31 HA SER 8 HA SER 8 10.463 22.439 -8.007 32 1HB SER 8 1HB SER 8 8.277 21.203 -7.575 33 2HB SER 8 2HB SER 8 9.161 20.250 -6.383 34 HG SER 8 HG SER 8 8.527 21.863 -5.149 35 H LEU 9 H LEU 9 11.242 22.719 -5.689 36 HA LEU 9 HA LEU 9 13.868 22.025 -5.424 37 1HB LEU 9 1HB LEU 9 12.646 23.708 -4.066 38 2HB LEU 9 2HB LEU 9 11.951 22.389 -3.126 39 HG LEU 9 HG LEU 9 14.212 21.770 -2.367 40 1HD1 LEU 9 1HD1 LEU 9 15.646 24.123 -2.940 41 2HD1 LEU 9 2HD1 LEU 9 14.990 23.541 -4.469 42 3HD1 LEU 9 3HD1 LEU 9 15.991 22.480 -3.479 43 1HD2 LEU 9 1HD2 LEU 9 14.094 23.207 -0.643 44 2HD2 LEU 9 2HD2 LEU 9 12.620 23.757 -1.441 45 3HD2 LEU 9 3HD2 LEU 9 14.135 24.628 -1.688 46 H ARG 10 H ARG 10 14.926 20.623 -3.783 47 HA ARG 10 HA ARG 10 14.300 17.931 -4.196 48 1HB ARG 10 1HB ARG 10 16.541 18.784 -3.557 49 2HB ARG 10 2HB ARG 10 15.931 19.111 -1.941 50 1HG ARG 10 1HG ARG 10 15.639 16.807 -1.484 51 2HG ARG 10 2HG ARG 10 15.900 16.372 -3.175 52 1HD ARG 10 1HD ARG 10 18.004 17.741 -1.521 53 2HD ARG 10 2HD ARG 10 17.835 15.987 -1.563 54 HE ARG 10 HE ARG 10 17.960 16.790 -4.193 55 1HH1 ARG 10 1HH1 ARG 10 19.994 17.027 -1.377 56 2HH1 ARG 10 2HH1 ARG 10 21.471 17.027 -2.282 57 1HH2 ARG 10 1HH2 ARG 10 19.898 16.789 -5.396 58 2HH2 ARG 10 2HH2 ARG 10 21.415 16.892 -4.569 59 H LYS 11 H LYS 11 12.282 17.277 -3.631 60 HA LYS 11 HA LYS 11 11.497 17.608 -0.811 61 1HB LYS 11 1HB LYS 11 9.764 17.164 -3.249 62 2HB LYS 11 2HB LYS 11 9.171 17.239 -1.595 63 1HG LYS 11 1HG LYS 11 10.698 19.500 -2.843 64 2HG LYS 11 2HG LYS 11 8.948 19.336 -3.008 65 1HD LYS 11 1HD LYS 11 10.267 19.270 -0.314 66 2HD LYS 11 2HD LYS 11 9.870 20.800 -1.099 67 1HE LYS 11 1HE LYS 11 7.515 19.917 -1.342 68 2HE LYS 11 2HE LYS 11 7.992 18.596 -0.276 69 1HZ LYS 11 1HZ LYS 11 8.791 20.628 1.186 70 2HZ LYS 11 2HZ LYS 11 7.206 20.042 1.259 71 3HZ LYS 11 3HZ LYS 11 7.558 21.417 0.338 72 H GLU 12 H GLU 12 10.011 15.786 -0.047 73 HA GLU 12 HA GLU 12 11.411 13.292 -0.491 74 1HB GLU 12 1HB GLU 12 10.280 12.475 1.422 75 2HB GLU 12 2HB GLU 12 10.683 14.148 1.781 76 1HG GLU 12 1HG GLU 12 8.257 14.551 0.800 77 2HG GLU 12 2HG GLU 12 8.043 12.883 1.331 78 H ARG 13 H ARG 13 10.055 14.116 -2.775 79 HA ARG 13 HA ARG 13 7.665 12.424 -2.898 80 1HB ARG 13 1HB ARG 13 7.489 14.744 -3.738 81 2HB ARG 13 2HB ARG 13 8.737 14.392 -4.926 82 1HG ARG 13 1HG ARG 13 6.323 12.662 -4.869 83 2HG ARG 13 2HG ARG 13 6.180 14.290 -5.534 84 1HD ARG 13 1HD ARG 13 8.422 12.522 -6.410 85 2HD ARG 13 2HD ARG 13 6.810 12.283 -7.083 86 HE ARG 13 HE ARG 13 7.669 15.010 -7.209 87 1HH1 ARG 13 1HH1 ARG 13 7.869 11.905 -8.771 88 2HH1 ARG 13 2HH1 ARG 13 8.208 12.568 -10.336 89 1HH2 ARG 13 1HH2 ARG 13 8.116 15.895 -9.264 90 2HH2 ARG 13 2HH2 ARG 13 8.349 14.837 -10.614 91 H ALA 14 H ALA 14 10.694 13.015 -4.669 92 HA ALA 14 HA ALA 14 10.434 10.865 -6.465 93 1HB ALA 14 1HB ALA 14 12.242 11.806 -7.336 94 2HB ALA 14 2HB ALA 14 12.313 12.901 -5.954 95 3HB ALA 14 3HB ALA 14 13.190 11.371 -5.913 96 H ARG 15 H ARG 15 11.965 11.111 -3.285 97 HA ARG 15 HA ARG 15 13.291 8.710 -3.140 98 1HB ARG 15 1HB ARG 15 11.884 10.390 -1.104 99 2HB ARG 15 2HB ARG 15 12.503 8.814 -0.630 100 1HG ARG 15 1HG ARG 15 14.698 9.438 -0.908 101 2HG ARG 15 2HG ARG 15 14.298 10.722 -2.051 102 1HD ARG 15 1HD ARG 15 13.489 12.128 -0.320 103 2HD ARG 15 2HD ARG 15 13.513 10.811 0.852 104 HE ARG 15 HE ARG 15 15.696 12.498 0.123 105 1HH1 ARG 15 1HH1 ARG 15 14.861 9.293 1.197 106 2HH1 ARG 15 2HH1 ARG 15 16.397 9.002 1.944 107 1HH2 ARG 15 1HH2 ARG 15 17.722 12.127 1.103 108 2HH2 ARG 15 2HH2 ARG 15 18.023 10.615 1.891 109 H SER 16 H SER 16 9.849 9.326 -2.597 110 HA SER 16 HA SER 16 8.094 7.902 -2.200 111 1HB SER 16 1HB SER 16 9.595 6.607 -4.475 112 2HB SER 16 2HB SER 16 8.040 5.996 -3.911 113 HG SER 16 HG SER 16 8.625 8.535 -5.019 114 H ALA 17 H ALA 17 10.028 7.510 -0.284 115 HA ALA 17 HA ALA 17 10.785 4.772 -0.030 116 1HB ALA 17 1HB ALA 17 11.093 7.226 1.514 117 2HB ALA 17 2HB ALA 17 10.886 5.789 2.515 118 3HB ALA 17 3HB ALA 17 12.188 5.856 1.328 119 H GLU 18 H GLU 18 8.284 6.766 1.537 120 HA GLU 18 HA GLU 18 6.852 4.276 2.191 121 1HB GLU 18 1HB GLU 18 7.433 6.665 3.885 122 2HB GLU 18 2HB GLU 18 5.910 5.820 4.121 123 1HG GLU 18 1HG GLU 18 7.339 3.703 4.314 124 2HG GLU 18 2HG GLU 18 8.697 4.807 4.519 125 H GLU 19 H GLU 19 5.375 4.284 0.565 126 HA GLU 19 HA GLU 19 3.881 6.725 -0.006 127 1HB GLU 19 1HB GLU 19 4.071 4.041 -1.353 128 2HB GLU 19 2HB GLU 19 2.818 5.197 -1.782 129 1HG GLU 19 1HG GLU 19 5.661 6.079 -1.773 130 2HG GLU 19 2HG GLU 19 5.065 5.096 -3.109 131 HA PRO 20 HA PRO 20 0.301 5.649 2.292 132 1HB PRO 20 1HB PRO 20 -1.662 6.678 0.724 133 2HB PRO 20 2HB PRO 20 -0.562 7.686 1.672 134 1HG PRO 20 1HG PRO 20 -0.460 6.992 -1.238 135 2HG PRO 20 2HG PRO 20 -0.180 8.556 -0.450 136 1HD PRO 20 1HD PRO 20 1.844 6.956 -1.273 137 2HD PRO 20 2HD PRO 20 1.978 8.009 0.150 138 H TRP 21 H TRP 21 -1.986 4.686 1.955 139 HA TRP 21 HA TRP 21 -1.830 2.513 -0.030 140 1HB TRP 21 1HB TRP 21 -2.771 2.404 2.838 141 2HB TRP 21 2HB TRP 21 -3.106 1.132 1.665 142 HD1 TRP 21 HD1 TRP 21 0.127 2.998 2.779 143 HE1 TRP 21 HE1 TRP 21 1.974 1.234 3.101 144 HE3 TRP 21 HE3 TRP 21 -2.531 -1.194 1.556 145 HZ2 TRP 21 HZ2 TRP 21 2.266 -1.564 2.867 146 HZ3 TRP 21 HZ3 TRP 21 -1.394 -3.375 1.630 147 HH2 TRP 21 HH2 TRP 21 0.955 -3.554 2.272 148 H THR 22 H THR 22 -4.013 1.512 -0.464 149 HA THR 22 HA THR 22 -6.078 3.617 -0.517 150 HB THR 22 HB THR 22 -6.675 3.099 -2.671 151 HG1 THR 22 HG1 THR 22 -5.936 0.935 -3.561 152 1HG2 THR 22 1HG2 THR 22 -3.957 1.998 -3.111 153 2HG2 THR 22 2HG2 THR 22 -4.065 3.577 -2.334 154 3HG2 THR 22 3HG2 THR 22 -4.787 3.324 -3.923 155 H GLN 23 H GLN 23 -8.329 2.711 -0.797 156 HA GLN 23 HA GLN 23 -9.010 1.103 1.363 157 1HB GLN 23 1HB GLN 23 -11.236 0.863 0.185 158 2HB GLN 23 2HB GLN 23 -10.683 2.512 0.445 159 1HG GLN 23 1HG GLN 23 -11.310 2.723 -1.708 160 2HG GLN 23 2HG GLN 23 -9.676 2.125 -1.988 161 1HE2 GLN 23 1HE2 GLN 23 -10.303 1.312 -4.007 162 2HE2 GLN 23 2HE2 GLN 23 -11.235 -0.135 -4.151 163 H ASN 24 H ASN 24 -8.726 0.229 -2.069 164 HA ASN 24 HA ASN 24 -9.461 -2.471 -1.776 165 1HB ASN 24 1HB ASN 24 -9.088 -0.949 -3.914 166 2HB ASN 24 2HB ASN 24 -7.484 -1.674 -3.869 167 1HD2 ASN 24 1HD2 ASN 24 -8.247 -2.487 -5.981 168 2HD2 ASN 24 2HD2 ASN 24 -9.120 -3.978 -6.006 169 H GLN 25 H GLN 25 -6.207 -1.049 -2.137 170 HA GLN 25 HA GLN 25 -4.745 -3.374 -1.726 171 1HB GLN 25 1HB GLN 25 -4.182 -0.466 -1.422 172 2HB GLN 25 2HB GLN 25 -3.031 -1.599 -0.726 173 1HG GLN 25 1HG GLN 25 -2.319 -0.984 -2.932 174 2HG GLN 25 2HG GLN 25 -2.802 -2.680 -2.923 175 1HE2 GLN 25 1HE2 GLN 25 -2.824 -0.133 -4.813 176 2HE2 GLN 25 2HE2 GLN 25 -4.314 -0.344 -5.660 177 H GLN 26 H GLN 26 -5.415 -0.840 0.698 178 HA GLN 26 HA GLN 26 -4.382 -2.134 2.909 179 1HB GLN 26 1HB GLN 26 -5.160 0.225 2.857 180 2HB GLN 26 2HB GLN 26 -6.822 -0.349 2.868 181 1HG GLN 26 1HG GLN 26 -6.069 0.374 5.080 182 2HG GLN 26 2HG GLN 26 -6.511 -1.332 5.048 183 1HE2 GLN 26 1HE2 GLN 26 -4.766 -2.889 4.904 184 2HE2 GLN 26 2HE2 GLN 26 -3.237 -2.513 5.615 185 H LYS 27 H LYS 27 -7.302 -2.770 1.175 186 HA LYS 27 HA LYS 27 -8.535 -4.303 3.284 187 1HB LYS 27 1HB LYS 27 -10.196 -3.469 1.952 188 2HB LYS 27 2HB LYS 27 -9.215 -3.547 0.494 189 1HG LYS 27 1HG LYS 27 -9.514 -6.017 0.502 190 2HG LYS 27 2HG LYS 27 -10.635 -5.826 1.852 191 1HD LYS 27 1HD LYS 27 -11.099 -4.183 -0.580 192 2HD LYS 27 2HD LYS 27 -11.464 -5.908 -0.669 193 1HE LYS 27 1HE LYS 27 -12.462 -4.312 1.648 194 2HE LYS 27 2HE LYS 27 -13.292 -4.195 0.096 195 1HZ LYS 27 1HZ LYS 27 -12.740 -6.900 0.884 196 2HZ LYS 27 2HZ LYS 27 -14.188 -6.203 0.357 197 3HZ LYS 27 3HZ LYS 27 -13.738 -6.088 1.984 198 H LEU 28 H LEU 28 -7.075 -5.063 0.124 199 HA LEU 28 HA LEU 28 -7.299 -7.820 0.210 200 1HB LEU 28 1HB LEU 28 -5.152 -6.083 -0.988 201 2HB LEU 28 2HB LEU 28 -5.258 -7.821 -1.258 202 HG LEU 28 HG LEU 28 -7.401 -5.842 -2.026 203 1HD1 LEU 28 1HD1 LEU 28 -4.939 -6.086 -3.209 204 2HD1 LEU 28 2HD1 LEU 28 -6.404 -5.493 -3.991 205 3HD1 LEU 28 3HD1 LEU 28 -5.939 -7.186 -4.159 206 1HD2 LEU 28 1HD2 LEU 28 -8.028 -7.857 -3.501 207 2HD2 LEU 28 2HD2 LEU 28 -8.447 -7.906 -1.788 208 3HD2 LEU 28 3HD2 LEU 28 -7.043 -8.796 -2.379 209 H LEU 29 H LEU 29 -4.837 -5.732 1.636 210 HA LEU 29 HA LEU 29 -3.059 -7.748 2.457 211 1HB LEU 29 1HB LEU 29 -2.399 -5.430 2.407 212 2HB LEU 29 2HB LEU 29 -3.612 -5.023 3.619 213 HG LEU 29 HG LEU 29 -2.365 -6.383 5.268 214 1HD1 LEU 29 1HD1 LEU 29 -1.184 -7.555 3.125 215 2HD1 LEU 29 2HD1 LEU 29 -0.564 -7.623 4.774 216 3HD1 LEU 29 3HD1 LEU 29 0.074 -6.431 3.640 217 1HD2 LEU 29 1HD2 LEU 29 -1.852 -3.839 4.395 218 2HD2 LEU 29 2HD2 LEU 29 -0.254 -4.584 4.351 219 3HD2 LEU 29 3HD2 LEU 29 -1.182 -4.576 5.851 220 H GLU 30 H GLU 30 -5.554 -6.025 4.337 221 HA GLU 30 HA GLU 30 -5.309 -7.421 6.712 222 1HB GLU 30 1HB GLU 30 -7.839 -6.327 5.471 223 2HB GLU 30 2HB GLU 30 -7.646 -6.770 7.161 224 1HG GLU 30 1HG GLU 30 -6.222 -4.983 7.596 225 2HG GLU 30 2HG GLU 30 -5.864 -4.732 5.888 226 H LEU 31 H LEU 31 -7.610 -8.107 4.074 227 HA LEU 31 HA LEU 31 -8.763 -10.393 5.088 228 1HB LEU 31 1HB LEU 31 -8.256 -9.363 2.351 229 2HB LEU 31 2HB LEU 31 -8.773 -11.040 2.511 230 HG LEU 31 HG LEU 31 -10.623 -9.457 2.043 231 1HD1 LEU 31 1HD1 LEU 31 -11.691 -10.211 4.503 232 2HD1 LEU 31 2HD1 LEU 31 -10.473 -11.432 4.134 233 3HD1 LEU 31 3HD1 LEU 31 -11.771 -11.106 2.985 234 1HD2 LEU 31 1HD2 LEU 31 -10.410 -8.469 4.852 235 2HD2 LEU 31 2HD2 LEU 31 -11.245 -7.759 3.470 236 3HD2 LEU 31 3HD2 LEU 31 -9.486 -7.677 3.575 237 H ALA 32 H ALA 32 -5.756 -10.094 3.240 238 HA ALA 32 HA ALA 32 -5.208 -12.848 3.022 239 1HB ALA 32 1HB ALA 32 -2.856 -12.103 2.620 240 2HB ALA 32 2HB ALA 32 -4.059 -11.314 1.599 241 3HB ALA 32 3HB ALA 32 -3.377 -10.457 2.981 242 H LEU 33 H LEU 33 -4.089 -10.426 5.377 243 HA LEU 33 HA LEU 33 -2.368 -11.852 6.909 244 1HB LEU 33 1HB LEU 33 -4.374 -9.757 7.522 245 2HB LEU 33 2HB LEU 33 -3.646 -10.603 8.886 246 HG LEU 33 HG LEU 33 -2.574 -8.417 8.238 247 1HD1 LEU 33 1HD1 LEU 33 -0.216 -9.744 8.063 248 2HD1 LEU 33 2HD1 LEU 33 -1.271 -11.003 8.705 249 3HD1 LEU 33 3HD1 LEU 33 -1.104 -9.471 9.563 250 1HD2 LEU 33 1HD2 LEU 33 -2.425 -8.252 5.973 251 2HD2 LEU 33 2HD2 LEU 33 -2.142 -9.979 5.752 252 3HD2 LEU 33 3HD2 LEU 33 -0.832 -8.934 6.304 253 H GLN 34 H GLN 34 -5.801 -12.328 6.659 254 HA GLN 34 HA GLN 34 -6.061 -13.961 8.992 255 1HB GLN 34 1HB GLN 34 -7.870 -13.764 6.578 256 2HB GLN 34 2HB GLN 34 -8.287 -14.490 8.125 257 1HG GLN 34 1HG GLN 34 -7.624 -12.092 9.018 258 2HG GLN 34 2HG GLN 34 -8.046 -11.634 7.369 259 1HE2 GLN 34 1HE2 GLN 34 -10.054 -10.994 7.152 260 2HE2 GLN 34 2HE2 GLN 34 -11.412 -11.551 8.063 261 H GLN 35 H GLN 35 -5.833 -14.628 5.510 262 HA GLN 35 HA GLN 35 -5.922 -17.455 5.805 263 1HB GLN 35 1HB GLN 35 -5.293 -15.560 3.589 264 2HB GLN 35 2HB GLN 35 -4.803 -17.240 3.412 265 1HG GLN 35 1HG GLN 35 -7.189 -17.865 3.930 266 2HG GLN 35 2HG GLN 35 -7.579 -16.153 3.764 267 1HE2 GLN 35 1HE2 GLN 35 -6.158 -15.337 1.664 268 2HE2 GLN 35 2HE2 GLN 35 -6.601 -16.199 0.235 269 H TYR 36 H TYR 36 -3.263 -15.163 5.242 270 HA TYR 36 HA TYR 36 -1.372 -17.295 5.983 271 1HB TYR 36 1HB TYR 36 -0.602 -14.745 4.585 272 2HB TYR 36 2HB TYR 36 0.270 -16.273 4.643 273 HD1 TYR 36 HD1 TYR 36 -2.806 -14.680 3.290 274 HD2 TYR 36 HD2 TYR 36 0.004 -17.856 2.938 275 HE1 TYR 36 HE1 TYR 36 -3.819 -15.331 1.145 276 HE2 TYR 36 HE2 TYR 36 -1.001 -18.515 0.792 277 HH TYR 36 HH TYR 36 -2.823 -18.247 -0.547 278 HA PRO 37 HA PRO 37 -1.388 -14.289 9.514 279 1HB PRO 37 1HB PRO 37 -1.334 -16.202 11.439 280 2HB PRO 37 2HB PRO 37 -2.834 -15.611 10.714 281 1HG PRO 37 1HG PRO 37 -1.282 -18.095 10.097 282 2HG PRO 37 2HG PRO 37 -3.034 -17.884 10.264 283 1HD PRO 37 1HD PRO 37 -1.807 -18.013 7.854 284 2HD PRO 37 2HD PRO 37 -3.263 -17.036 8.133 285 H ARG 38 H ARG 38 0.176 -14.325 11.445 286 HA ARG 38 HA ARG 38 2.796 -14.327 10.528 287 1HB ARG 38 1HB ARG 38 1.635 -14.410 13.304 288 2HB ARG 38 2HB ARG 38 3.372 -14.361 13.033 289 1HG ARG 38 1HG ARG 38 3.315 -12.216 12.186 290 2HG ARG 38 2HG ARG 38 1.610 -12.325 11.746 291 1HD ARG 38 1HD ARG 38 1.813 -10.873 13.642 292 2HD ARG 38 2HD ARG 38 1.050 -12.372 14.167 293 HE ARG 38 HE ARG 38 3.878 -12.425 14.530 294 1HH1 ARG 38 1HH1 ARG 38 0.896 -11.260 15.897 295 2HH1 ARG 38 2HH1 ARG 38 1.509 -11.202 17.516 296 1HH2 ARG 38 1HH2 ARG 38 4.697 -12.353 16.658 297 2HH2 ARG 38 2HH2 ARG 38 3.672 -11.823 17.948 298 H GLY 39 H GLY 39 4.506 -15.616 12.079 299 1HA GLY 39 1HA GLY 39 4.710 -17.925 13.066 300 2HA GLY 39 2HA GLY 39 3.872 -18.465 11.619 301 H SER 40 H SER 40 5.215 -16.767 9.769 302 HA SER 40 HA SER 40 8.042 -17.389 10.007 303 1HB SER 40 1HB SER 40 8.194 -18.741 8.049 304 2HB SER 40 2HB SER 40 6.887 -19.425 9.015 305 HG SER 40 HG SER 40 5.685 -19.139 7.328 306 H SER 41 H SER 41 9.175 -15.736 9.245 307 HA SER 41 HA SER 41 8.149 -13.405 8.250 308 1HB SER 41 1HB SER 41 10.412 -13.444 9.028 309 2HB SER 41 2HB SER 41 10.875 -14.634 7.812 310 HG SER 41 HG SER 41 10.019 -11.977 7.288 311 H ASP 42 H ASP 42 8.810 -16.345 6.529 312 HA ASP 42 HA ASP 42 8.812 -15.260 3.904 313 1HB ASP 42 1HB ASP 42 9.706 -17.526 4.587 314 2HB ASP 42 2HB ASP 42 8.034 -18.072 4.685 315 H CYS 43 H CYS 43 6.300 -16.481 6.040 316 HA CYS 43 HA CYS 43 4.165 -16.878 4.432 317 1HB CYS 43 1HB CYS 43 4.400 -16.705 7.067 318 2HB CYS 43 2HB CYS 43 3.705 -15.112 6.795 319 HG CYS 43 HG CYS 43 1.410 -16.252 7.277 320 H TRP 44 H TRP 44 5.156 -13.678 5.648 321 HA TRP 44 HA TRP 44 3.303 -12.042 4.561 322 1HB TRP 44 1HB TRP 44 6.297 -11.624 4.614 323 2HB TRP 44 2HB TRP 44 5.135 -10.350 4.252 324 HD1 TRP 44 HD1 TRP 44 6.779 -12.118 7.114 325 HE1 TRP 44 HE1 TRP 44 5.878 -11.196 9.342 326 HE3 TRP 44 HE3 TRP 44 2.837 -9.395 5.331 327 HZ2 TRP 44 HZ2 TRP 44 3.775 -9.534 10.227 328 HZ3 TRP 44 HZ3 TRP 44 1.429 -8.168 6.934 329 HH2 TRP 44 HH2 TRP 44 1.890 -8.238 9.331 330 H ASP 45 H ASP 45 5.905 -13.652 2.822 331 HA ASP 45 HA ASP 45 5.911 -12.396 0.403 332 1HB ASP 45 1HB ASP 45 6.022 -15.369 0.947 333 2HB ASP 45 2HB ASP 45 6.424 -14.634 -0.603 334 H LYS 46 H LYS 46 3.652 -14.957 1.401 335 HA LYS 46 HA LYS 46 2.148 -14.958 -0.988 336 1HB LYS 46 1HB LYS 46 1.686 -15.963 1.794 337 2HB LYS 46 2HB LYS 46 0.351 -15.950 0.649 338 1HG LYS 46 1HG LYS 46 1.139 -18.042 0.271 339 2HG LYS 46 2HG LYS 46 2.133 -17.157 -0.888 340 1HD LYS 46 1HD LYS 46 3.861 -16.969 0.965 341 2HD LYS 46 2HD LYS 46 2.900 -18.161 1.844 342 1HE LYS 46 1HE LYS 46 4.626 -19.334 0.692 343 2HE LYS 46 2HE LYS 46 3.110 -19.667 -0.142 344 1HZ LYS 46 1HZ LYS 46 5.160 -17.694 -0.993 345 2HZ LYS 46 2HZ LYS 46 3.697 -17.991 -1.788 346 3HZ LYS 46 3HZ LYS 46 4.877 -19.200 -1.709 347 H ILE 47 H ILE 47 1.625 -13.352 2.138 348 HA ILE 47 HA ILE 47 -0.824 -12.194 1.728 349 HB ILE 47 HB ILE 47 1.558 -10.907 3.067 350 1HG1 ILE 47 1HG1 ILE 47 -0.715 -12.322 4.435 351 2HG1 ILE 47 2HG1 ILE 47 0.679 -13.220 3.844 352 1HG2 ILE 47 1HG2 ILE 47 -0.599 -9.545 2.380 353 2HG2 ILE 47 2HG2 ILE 47 -1.246 -10.300 3.836 354 3HG2 ILE 47 3HG2 ILE 47 0.197 -9.292 3.933 355 1HD1 ILE 47 1HD1 ILE 47 1.738 -12.744 5.720 356 2HD1 ILE 47 2HD1 ILE 47 1.672 -11.030 5.309 357 3HD1 ILE 47 3HD1 ILE 47 0.381 -11.759 6.264 358 H ALA 48 H ALA 48 2.312 -11.081 0.542 359 HA ALA 48 HA ALA 48 1.478 -8.613 -0.504 360 1HB ALA 48 1HB ALA 48 3.624 -8.414 -1.055 361 2HB ALA 48 2HB ALA 48 3.864 -10.014 -0.351 362 3HB ALA 48 3HB ALA 48 3.567 -9.847 -2.081 363 H ARG 49 H ARG 49 1.342 -11.871 -1.796 364 HA ARG 49 HA ARG 49 0.917 -11.400 -4.478 365 1HB ARG 49 1HB ARG 49 -0.424 -13.475 -2.736 366 2HB ARG 49 2HB ARG 49 -0.369 -13.512 -4.493 367 1HG ARG 49 1HG ARG 49 2.129 -13.563 -4.325 368 2HG ARG 49 2HG ARG 49 1.937 -13.771 -2.583 369 1HD ARG 49 1HD ARG 49 2.228 -15.935 -3.550 370 2HD ARG 49 2HD ARG 49 0.542 -15.787 -3.056 371 HE ARG 49 HE ARG 49 0.489 -15.029 -5.649 372 1HH1 ARG 49 1HH1 ARG 49 1.777 -17.812 -4.001 373 2HH1 ARG 49 2HH1 ARG 49 1.539 -18.880 -5.345 374 1HH2 ARG 49 1HH2 ARG 49 0.172 -16.424 -7.425 375 2HH2 ARG 49 2HH2 ARG 49 0.627 -18.089 -7.292 376 H CYS 50 H CYS 50 -1.528 -11.503 -1.895 377 HA CYS 50 HA CYS 50 -3.741 -10.931 -3.526 378 1HB CYS 50 1HB CYS 50 -3.551 -11.706 -1.005 379 2HB CYS 50 2HB CYS 50 -3.670 -9.978 -0.694 380 HG CYS 50 HG CYS 50 -6.225 -9.902 -0.797 381 H VAL 51 H VAL 51 -1.129 -8.999 -2.731 382 HA VAL 51 HA VAL 51 -2.669 -6.538 -3.250 383 HB VAL 51 HB VAL 51 0.046 -6.553 -1.962 384 1HG1 VAL 51 1HG1 VAL 51 -2.122 -4.582 -1.423 385 2HG1 VAL 51 2HG1 VAL 51 -0.371 -4.359 -1.437 386 3HG1 VAL 51 3HG1 VAL 51 -1.256 -4.498 -2.956 387 1HG2 VAL 51 1HG2 VAL 51 -0.975 -6.554 0.222 388 2HG2 VAL 51 2HG2 VAL 51 -2.585 -6.661 -0.489 389 3HG2 VAL 51 3HG2 VAL 51 -1.462 -8.012 -0.643 390 HA PRO 52 HA PRO 52 -0.080 -7.109 -6.989 391 1HB PRO 52 1HB PRO 52 -1.851 -5.893 -8.649 392 2HB PRO 52 2HB PRO 52 -1.972 -7.598 -8.198 393 1HG PRO 52 1HG PRO 52 -3.446 -5.238 -7.095 394 2HG PRO 52 2HG PRO 52 -4.062 -6.847 -7.510 395 1HD PRO 52 1HD PRO 52 -3.502 -6.114 -4.964 396 2HD PRO 52 2HD PRO 52 -3.309 -7.782 -5.542 397 H SER 53 H SER 53 -0.863 -4.593 -5.021 398 HA SER 53 HA SER 53 0.326 -2.562 -6.786 399 1HB SER 53 1HB SER 53 -1.644 -1.606 -6.038 400 2HB SER 53 2HB SER 53 -1.572 -2.424 -4.478 401 HG SER 53 HG SER 53 -0.296 -0.082 -5.329 402 H LYS 54 H LYS 54 0.432 -3.747 -3.434 403 HA LYS 54 HA LYS 54 3.106 -2.563 -3.152 404 1HB LYS 54 1HB LYS 54 1.459 -3.739 -0.923 405 2HB LYS 54 2HB LYS 54 2.800 -2.607 -0.806 406 1HG LYS 54 1HG LYS 54 0.371 -1.759 -2.291 407 2HG LYS 54 2HG LYS 54 0.301 -1.828 -0.529 408 1HD LYS 54 1HD LYS 54 1.921 -0.188 -0.273 409 2HD LYS 54 2HD LYS 54 2.581 -0.447 -1.890 410 1HE LYS 54 1HE LYS 54 -0.228 0.504 -1.639 411 2HE LYS 54 2HE LYS 54 1.074 1.650 -1.322 412 1HZ LYS 54 1HZ LYS 54 0.066 0.952 -3.776 413 2HZ LYS 54 2HZ LYS 54 1.557 0.159 -3.697 414 3HZ LYS 54 3HZ LYS 54 1.478 1.835 -3.482 415 H SER 55 H SER 55 4.817 -3.803 -2.238 416 HA SER 55 HA SER 55 4.697 -6.603 -3.023 417 1HB SER 55 1HB SER 55 6.921 -4.700 -2.344 418 2HB SER 55 2HB SER 55 7.213 -6.439 -2.365 419 HG SER 55 HG SER 55 6.115 -4.954 -4.521 420 H LYS 56 H LYS 56 6.159 -8.057 -1.513 421 HA LYS 56 HA LYS 56 4.725 -8.549 0.815 422 1HB LYS 56 1HB LYS 56 6.041 -10.301 -0.124 423 2HB LYS 56 2HB LYS 56 7.515 -9.350 -0.003 424 1HG LYS 56 1HG LYS 56 5.982 -10.104 2.451 425 2HG LYS 56 2HG LYS 56 7.103 -11.238 1.696 426 1HD LYS 56 1HD LYS 56 8.702 -9.122 1.774 427 2HD LYS 56 2HD LYS 56 7.643 -8.683 3.116 428 1HE LYS 56 1HE LYS 56 8.087 -10.891 4.136 429 2HE LYS 56 2HE LYS 56 9.212 -11.243 2.825 430 1HZ LYS 56 1HZ LYS 56 10.796 -10.056 3.804 431 2HZ LYS 56 2HZ LYS 56 9.823 -10.022 5.187 432 3HZ LYS 56 3HZ LYS 56 9.770 -8.740 4.085 433 H GLU 57 H GLU 57 7.865 -6.918 0.444 434 HA GLU 57 HA GLU 57 8.399 -6.412 3.116 435 1HB GLU 57 1HB GLU 57 9.063 -4.809 0.647 436 2HB GLU 57 2HB GLU 57 9.683 -4.408 2.242 437 1HG GLU 57 1HG GLU 57 10.764 -6.593 2.375 438 2HG GLU 57 2HG GLU 57 10.145 -6.994 0.774 439 H ASP 58 H ASP 58 6.429 -4.565 0.836 440 HA ASP 58 HA ASP 58 5.914 -2.371 2.537 441 1HB ASP 58 1HB ASP 58 4.263 -3.467 0.250 442 2HB ASP 58 2HB ASP 58 4.036 -1.889 1.000 443 H CYS 59 H CYS 59 4.364 -5.493 2.131 444 HA CYS 59 HA CYS 59 1.989 -4.998 3.522 445 1HB CYS 59 1HB CYS 59 3.603 -7.518 3.140 446 2HB CYS 59 2HB CYS 59 2.053 -7.505 3.973 447 HG CYS 59 HG CYS 59 0.798 -6.310 1.623 448 H ILE 60 H ILE 60 5.111 -6.221 4.698 449 HA ILE 60 HA ILE 60 4.341 -6.523 7.389 450 HB ILE 60 HB ILE 60 7.057 -6.071 6.159 451 1HG1 ILE 60 1HG1 ILE 60 6.169 -8.607 7.462 452 2HG1 ILE 60 2HG1 ILE 60 5.541 -8.228 5.862 453 1HG2 ILE 60 1HG2 ILE 60 6.966 -5.292 8.513 454 2HG2 ILE 60 2HG2 ILE 60 6.455 -6.911 8.989 455 3HG2 ILE 60 3HG2 ILE 60 8.045 -6.665 8.268 456 1HD1 ILE 60 1HD1 ILE 60 7.373 -9.396 5.249 457 2HD1 ILE 60 2HD1 ILE 60 8.122 -7.805 5.390 458 3HD1 ILE 60 3HD1 ILE 60 8.271 -8.971 6.705 459 H ALA 61 H ALA 61 6.084 -3.876 5.764 460 HA ALA 61 HA ALA 61 6.436 -2.197 7.937 461 1HB ALA 61 1HB ALA 61 6.556 -0.360 6.304 462 2HB ALA 61 2HB ALA 61 7.481 -1.773 5.792 463 3HB ALA 61 3HB ALA 61 5.909 -1.438 5.066 464 H ARG 62 H ARG 62 3.543 -2.965 6.211 465 HA ARG 62 HA ARG 62 2.073 -0.671 7.181 466 1HB ARG 62 1HB ARG 62 1.659 -1.848 4.962 467 2HB ARG 62 2HB ARG 62 0.928 -3.146 5.895 468 1HG ARG 62 1HG ARG 62 -0.786 -1.686 5.052 469 2HG ARG 62 2HG ARG 62 -0.699 -1.540 6.809 470 1HD ARG 62 1HD ARG 62 0.430 0.540 6.668 471 2HD ARG 62 2HD ARG 62 0.722 0.341 4.941 472 HE ARG 62 HE ARG 62 -1.958 0.341 5.063 473 1HH1 ARG 62 1HH1 ARG 62 0.438 2.461 6.435 474 2HH1 ARG 62 2HH1 ARG 62 -0.584 3.859 6.390 475 1HH2 ARG 62 1HH2 ARG 62 -3.314 2.174 4.998 476 2HH2 ARG 62 2HH2 ARG 62 -2.718 3.695 5.574 477 H TYR 63 H TYR 63 2.226 -4.145 7.847 478 HA TYR 63 HA TYR 63 0.158 -4.489 9.593 479 1HB TYR 63 1HB TYR 63 1.667 -6.299 8.897 480 2HB TYR 63 2HB TYR 63 2.949 -5.620 9.894 481 HD1 TYR 63 HD1 TYR 63 -0.480 -7.053 10.083 482 HD2 TYR 63 HD2 TYR 63 3.161 -6.253 12.134 483 HE1 TYR 63 HE1 TYR 63 -1.271 -8.384 11.994 484 HE2 TYR 63 HE2 TYR 63 2.380 -7.583 14.050 485 HH TYR 63 HH TYR 63 0.353 -8.392 15.026 486 H LYS 64 H LYS 64 3.330 -3.097 10.308 487 HA LYS 64 HA LYS 64 3.231 -2.869 13.038 488 1HB LYS 64 1HB LYS 64 4.317 -0.936 10.991 489 2HB LYS 64 2HB LYS 64 4.577 -0.746 12.720 490 1HG LYS 64 1HG LYS 64 6.033 -2.494 12.837 491 2HG LYS 64 2HG LYS 64 5.287 -3.350 11.486 492 1HD LYS 64 1HD LYS 64 6.223 -1.624 9.956 493 2HD LYS 64 2HD LYS 64 7.069 -0.920 11.336 494 1HE LYS 64 1HE LYS 64 7.964 -3.361 11.642 495 2HE LYS 64 2HE LYS 64 7.534 -3.519 9.940 496 1HZ LYS 64 1HZ LYS 64 9.660 -2.776 9.752 497 2HZ LYS 64 2HZ LYS 64 9.615 -1.885 11.188 498 3HZ LYS 64 3HZ LYS 64 8.871 -1.280 9.795 499 H LEU 65 H LEU 65 1.791 -0.674 10.651 500 HA LEU 65 HA LEU 65 0.692 1.071 12.639 501 1HB LEU 65 1HB LEU 65 -0.047 0.816 9.729 502 2HB LEU 65 2HB LEU 65 -0.417 2.172 10.793 503 HG LEU 65 HG LEU 65 2.237 2.237 10.985 504 1HD1 LEU 65 1HD1 LEU 65 3.356 1.071 9.469 505 2HD1 LEU 65 2HD1 LEU 65 2.387 1.755 8.165 506 3HD1 LEU 65 3HD1 LEU 65 1.843 0.298 8.996 507 1HD2 LEU 65 1HD2 LEU 65 0.664 3.360 8.669 508 2HD2 LEU 65 2HD2 LEU 65 2.219 3.954 9.252 509 3HD2 LEU 65 3HD2 LEU 65 0.788 4.074 10.277 510 H LEU 66 H LEU 66 -0.525 -1.587 10.663 511 HA LEU 66 HA LEU 66 -3.241 -1.368 11.180 512 1HB LEU 66 1HB LEU 66 -1.410 -3.602 10.496 513 2HB LEU 66 2HB LEU 66 -3.027 -4.014 11.063 514 HG LEU 66 HG LEU 66 -2.763 -2.049 8.841 515 1HD1 LEU 66 1HD1 LEU 66 -1.540 -3.482 7.636 516 2HD1 LEU 66 2HD1 LEU 66 -3.030 -4.416 7.512 517 3HD1 LEU 66 3HD1 LEU 66 -1.836 -4.821 8.745 518 1HD2 LEU 66 1HD2 LEU 66 -4.707 -4.288 8.917 519 2HD2 LEU 66 2HD2 LEU 66 -4.918 -2.620 8.385 520 3HD2 LEU 66 3HD2 LEU 66 -4.893 -3.000 10.107 521 H VAL 67 H VAL 67 -0.727 -3.001 13.073 522 HA VAL 67 HA VAL 67 -2.608 -3.798 15.118 523 HB VAL 67 HB VAL 67 -0.661 -4.697 16.299 524 1HG1 VAL 67 1HG1 VAL 67 -0.392 -5.443 13.401 525 2HG1 VAL 67 2HG1 VAL 67 -0.205 -6.468 14.825 526 3HG1 VAL 67 3HG1 VAL 67 -1.804 -5.890 14.358 527 1HG2 VAL 67 1HG2 VAL 67 0.920 -3.439 14.060 528 2HG2 VAL 67 2HG2 VAL 67 0.985 -3.014 15.770 529 3HG2 VAL 67 3HG2 VAL 67 1.571 -4.587 15.229 530 H SER 68 H SER 68 -0.029 -1.409 14.736 531 HA SER 68 HA SER 68 0.358 -0.400 17.195 532 1HB SER 68 1HB SER 68 1.383 0.594 15.220 533 2HB SER 68 2HB SER 68 -0.176 1.233 14.701 534 HG SER 68 HG SER 68 1.586 2.211 16.546 535 H GLY 69 H GLY 69 -2.469 0.327 15.166 536 1HA GLY 69 1HA GLY 69 -3.785 1.426 17.573 537 2HA GLY 69 2HA GLY 69 -4.122 1.976 15.938 538 HA PRO 70 HA PRO 70 -6.688 -1.878 17.341 539 1HB PRO 70 1HB PRO 70 -8.667 -0.765 18.829 540 2HB PRO 70 2HB PRO 70 -7.175 -1.397 19.534 541 1HG PRO 70 1HG PRO 70 -7.915 1.430 18.886 542 2HG PRO 70 2HG PRO 70 -7.104 0.788 20.326 543 1HD PRO 70 1HD PRO 70 -5.756 1.993 18.311 544 2HD PRO 70 2HD PRO 70 -5.054 0.680 19.278 545 H SER 71 H SER 71 -8.692 -2.425 16.398 546 HA SER 71 HA SER 71 -9.715 -0.394 14.533 547 1HB SER 71 1HB SER 71 -10.451 -2.231 13.125 548 2HB SER 71 2HB SER 71 -8.750 -2.460 13.530 549 HG SER 71 HG SER 71 -11.002 -3.880 14.400 550 H SER 72 H SER 72 -11.845 0.130 14.474 551 HA SER 72 HA SER 72 -13.480 -0.852 16.690 552 1HB SER 72 1HB SER 72 -13.097 1.651 16.119 553 2HB SER 72 2HB SER 72 -14.271 1.378 14.831 554 HG SER 72 HG SER 72 -15.729 1.626 16.309 555 H GLY 73 H GLY 73 -13.881 -0.154 13.211 556 1HA GLY 73 1HA GLY 73 -16.260 -1.827 13.126 557 2HA GLY 73 2HA GLY 73 -15.609 -0.869 11.804 Start of MODEL 12 1 1H GLY 1 1H GLY 1 22.680 39.106 -3.582 2 1HA GLY 1 1HA GLY 1 20.446 40.044 -5.247 3 2HA GLY 1 2HA GLY 1 22.120 39.902 -5.765 4 H SER 2 H SER 2 19.206 38.086 -4.976 5 HA SER 2 HA SER 2 19.942 35.507 -5.436 6 1HB SER 2 1HB SER 2 17.433 37.031 -5.954 7 2HB SER 2 2HB SER 2 17.562 35.412 -6.639 8 HG SER 2 HG SER 2 17.625 36.202 -3.933 9 H SER 3 H SER 3 20.018 34.120 -7.241 10 HA SER 3 HA SER 3 21.159 35.338 -9.583 11 1HB SER 3 1HB SER 3 21.882 33.126 -8.497 12 2HB SER 3 2HB SER 3 20.471 32.417 -9.282 13 HG SER 3 HG SER 3 21.851 32.192 -10.870 14 H GLY 4 H GLY 4 18.253 33.412 -8.885 15 1HA GLY 4 1HA GLY 4 16.930 34.681 -11.160 16 2HA GLY 4 2HA GLY 4 17.062 32.929 -11.194 17 H SER 5 H SER 5 15.443 35.653 -9.828 18 HA SER 5 HA SER 5 14.177 34.751 -7.610 19 1HB SER 5 1HB SER 5 13.860 36.968 -8.907 20 2HB SER 5 2HB SER 5 12.570 36.118 -9.757 21 HG SER 5 HG SER 5 11.371 36.532 -8.096 22 H SER 6 H SER 6 12.957 34.233 -10.922 23 HA SER 6 HA SER 6 10.737 32.750 -10.463 24 1HB SER 6 1HB SER 6 10.956 31.850 -12.636 25 2HB SER 6 2HB SER 6 11.816 33.388 -12.706 26 HG SER 6 HG SER 6 12.996 31.639 -13.645 27 H GLY 7 H GLY 7 10.224 30.557 -10.185 28 1HA GLY 7 1HA GLY 7 12.446 28.804 -9.370 29 2HA GLY 7 2HA GLY 7 11.077 29.034 -8.293 30 H SER 8 H SER 8 12.322 26.821 -10.187 31 HA SER 8 HA SER 8 9.753 25.969 -11.346 32 1HB SER 8 1HB SER 8 12.592 25.267 -12.117 33 2HB SER 8 2HB SER 8 11.172 24.463 -12.785 34 HG SER 8 HG SER 8 10.504 26.437 -13.638 35 H LEU 9 H LEU 9 8.782 24.213 -10.562 36 HA LEU 9 HA LEU 9 10.257 22.577 -8.614 37 1HB LEU 9 1HB LEU 9 7.379 23.319 -8.918 38 2HB LEU 9 2HB LEU 9 7.817 21.844 -8.059 39 HG LEU 9 HG LEU 9 7.386 23.886 -6.636 40 1HD1 LEU 9 1HD1 LEU 9 8.688 21.840 -5.957 41 2HD1 LEU 9 2HD1 LEU 9 9.061 23.315 -5.066 42 3HD1 LEU 9 3HD1 LEU 9 10.153 22.748 -6.329 43 1HD2 LEU 9 1HD2 LEU 9 8.592 25.446 -8.182 44 2HD2 LEU 9 2HD2 LEU 9 10.105 24.732 -7.621 45 3HD2 LEU 9 3HD2 LEU 9 9.055 25.580 -6.485 46 H ARG 10 H ARG 10 10.957 20.699 -9.367 47 HA ARG 10 HA ARG 10 9.701 19.475 -11.682 48 1HB ARG 10 1HB ARG 10 12.175 19.624 -11.483 49 2HB ARG 10 2HB ARG 10 12.099 18.556 -10.087 50 1HG ARG 10 1HG ARG 10 12.728 17.271 -11.998 51 2HG ARG 10 2HG ARG 10 11.085 16.818 -11.540 52 1HD ARG 10 1HD ARG 10 11.170 17.032 -13.923 53 2HD ARG 10 2HD ARG 10 10.238 18.382 -13.279 54 HE ARG 10 HE ARG 10 12.973 19.080 -13.592 55 1HH1 ARG 10 1HH1 ARG 10 10.017 18.590 -15.365 56 2HH1 ARG 10 2HH1 ARG 10 10.454 19.671 -16.647 57 1HH2 ARG 10 1HH2 ARG 10 13.559 20.505 -15.273 58 2HH2 ARG 10 2HH2 ARG 10 12.469 20.759 -16.594 59 H LYS 11 H LYS 11 9.012 17.268 -11.719 60 HA LYS 11 HA LYS 11 8.171 16.249 -9.084 61 1HB LYS 11 1HB LYS 11 6.654 16.055 -11.693 62 2HB LYS 11 2HB LYS 11 6.140 15.376 -10.154 63 1HG LYS 11 1HG LYS 11 4.917 17.308 -10.216 64 2HG LYS 11 2HG LYS 11 6.344 17.845 -9.327 65 1HD LYS 11 1HD LYS 11 7.219 18.971 -11.181 66 2HD LYS 11 2HD LYS 11 6.184 18.096 -12.313 67 1HE LYS 11 1HE LYS 11 5.342 20.325 -12.106 68 2HE LYS 11 2HE LYS 11 4.219 19.238 -11.290 69 1HZ LYS 11 1HZ LYS 11 6.263 20.962 -9.998 70 2HZ LYS 11 2HZ LYS 11 5.298 19.841 -9.177 71 3HZ LYS 11 3HZ LYS 11 4.585 21.171 -9.942 72 H GLU 12 H GLU 12 7.795 13.898 -9.019 73 HA GLU 12 HA GLU 12 8.693 12.154 -11.036 74 1HB GLU 12 1HB GLU 12 10.904 12.948 -10.657 75 2HB GLU 12 2HB GLU 12 10.703 12.881 -8.912 76 1HG GLU 12 1HG GLU 12 11.057 10.637 -8.811 77 2HG GLU 12 2HG GLU 12 10.423 10.351 -10.430 78 H ARG 13 H ARG 13 7.923 10.174 -10.617 79 HA ARG 13 HA ARG 13 6.436 9.698 -8.247 80 1HB ARG 13 1HB ARG 13 5.780 7.674 -9.228 81 2HB ARG 13 2HB ARG 13 6.042 8.745 -10.598 82 1HG ARG 13 1HG ARG 13 8.166 6.867 -9.614 83 2HG ARG 13 2HG ARG 13 6.937 6.378 -10.783 84 1HD ARG 13 1HD ARG 13 7.646 8.247 -12.244 85 2HD ARG 13 2HD ARG 13 8.930 8.620 -11.094 86 HE ARG 13 HE ARG 13 9.025 5.905 -11.962 87 1HH1 ARG 13 1HH1 ARG 13 9.847 9.167 -12.860 88 2HH1 ARG 13 2HH1 ARG 13 11.146 8.691 -13.902 89 1HH2 ARG 13 1HH2 ARG 13 10.734 5.266 -13.331 90 2HH2 ARG 13 2HH2 ARG 13 11.650 6.472 -14.170 91 H ALA 14 H ALA 14 9.638 8.782 -9.339 92 HA ALA 14 HA ALA 14 10.261 6.726 -7.606 93 1HB ALA 14 1HB ALA 14 12.316 8.820 -8.127 94 2HB ALA 14 2HB ALA 14 12.458 7.062 -8.173 95 3HB ALA 14 3HB ALA 14 11.650 7.916 -9.487 96 H ARG 15 H ARG 15 10.340 10.213 -7.012 97 HA ARG 15 HA ARG 15 11.603 10.324 -4.579 98 1HB ARG 15 1HB ARG 15 10.512 12.194 -6.043 99 2HB ARG 15 2HB ARG 15 9.109 11.927 -5.018 100 1HG ARG 15 1HG ARG 15 10.550 13.783 -4.260 101 2HG ARG 15 2HG ARG 15 10.359 12.507 -3.055 102 1HD ARG 15 1HD ARG 15 12.528 11.717 -3.373 103 2HD ARG 15 2HD ARG 15 12.683 12.501 -4.945 104 HE ARG 15 HE ARG 15 12.350 14.420 -2.883 105 1HH1 ARG 15 1HH1 ARG 15 14.684 12.251 -4.287 106 2HH1 ARG 15 2HH1 ARG 15 16.050 13.203 -3.808 107 1HH2 ARG 15 1HH2 ARG 15 14.141 15.681 -2.247 108 2HH2 ARG 15 2HH2 ARG 15 15.740 15.153 -2.647 109 H SER 16 H SER 16 8.199 9.561 -5.207 110 HA SER 16 HA SER 16 7.021 9.504 -2.813 111 1HB SER 16 1HB SER 16 5.590 7.793 -3.570 112 2HB SER 16 2HB SER 16 6.173 8.549 -5.053 113 HG SER 16 HG SER 16 6.866 6.068 -3.925 114 H ALA 17 H ALA 17 7.699 8.923 -0.868 115 HA ALA 17 HA ALA 17 9.515 6.631 -0.607 116 1HB ALA 17 1HB ALA 17 9.711 9.147 0.436 117 2HB ALA 17 2HB ALA 17 9.033 8.238 1.787 118 3HB ALA 17 3HB ALA 17 10.550 7.722 1.050 119 H GLU 18 H GLU 18 6.679 8.063 1.012 120 HA GLU 18 HA GLU 18 5.866 5.337 1.775 121 1HB GLU 18 1HB GLU 18 6.099 7.794 3.436 122 2HB GLU 18 2HB GLU 18 4.731 6.735 3.749 123 1HG GLU 18 1HG GLU 18 7.455 5.551 3.580 124 2HG GLU 18 2HG GLU 18 6.993 6.440 5.030 125 H GLU 19 H GLU 19 4.452 5.175 0.027 126 HA GLU 19 HA GLU 19 2.430 7.184 -0.415 127 1HB GLU 19 1HB GLU 19 2.762 4.430 -1.618 128 2HB GLU 19 2HB GLU 19 1.608 5.642 -2.158 129 1HG GLU 19 1HG GLU 19 3.371 5.803 -3.666 130 2HG GLU 19 2HG GLU 19 3.624 7.147 -2.553 131 HA PRO 20 HA PRO 20 -0.700 5.612 2.235 132 1HB PRO 20 1HB PRO 20 -2.921 6.351 0.861 133 2HB PRO 20 2HB PRO 20 -1.897 7.505 1.722 134 1HG PRO 20 1HG PRO 20 -1.957 6.836 -1.195 135 2HG PRO 20 2HG PRO 20 -1.834 8.423 -0.413 136 1HD PRO 20 1HD PRO 20 0.316 7.130 -1.434 137 2HD PRO 20 2HD PRO 20 0.425 8.191 -0.014 138 H TRP 21 H TRP 21 -2.892 4.367 2.040 139 HA TRP 21 HA TRP 21 -2.542 2.194 0.079 140 1HB TRP 21 1HB TRP 21 -3.366 2.053 2.980 141 2HB TRP 21 2HB TRP 21 -3.618 0.724 1.852 142 HD1 TRP 21 HD1 TRP 21 -0.597 2.906 2.976 143 HE1 TRP 21 HE1 TRP 21 1.452 1.361 3.179 144 HE3 TRP 21 HE3 TRP 21 -2.746 -1.490 1.496 145 HZ2 TRP 21 HZ2 TRP 21 2.074 -1.361 2.765 146 HZ3 TRP 21 HZ3 TRP 21 -1.355 -3.519 1.426 147 HH2 TRP 21 HH2 TRP 21 1.005 -3.453 2.048 148 H THR 22 H THR 22 -4.169 2.001 -1.298 149 HA THR 22 HA THR 22 -6.548 3.523 -1.086 150 HB THR 22 HB THR 22 -7.091 2.769 -3.184 151 HG1 THR 22 HG1 THR 22 -6.362 0.588 -3.880 152 1HG2 THR 22 1HG2 THR 22 -4.345 1.737 -3.531 153 2HG2 THR 22 2HG2 THR 22 -4.481 3.353 -2.837 154 3HG2 THR 22 3HG2 THR 22 -5.199 3.004 -4.409 155 H GLN 23 H GLN 23 -8.752 2.429 -1.392 156 HA GLN 23 HA GLN 23 -9.357 0.974 0.941 157 1HB GLN 23 1HB GLN 23 -11.617 0.697 -0.113 158 2HB GLN 23 2HB GLN 23 -11.048 2.359 -0.027 159 1HG GLN 23 1HG GLN 23 -11.778 2.381 -2.158 160 2HG GLN 23 2HG GLN 23 -10.158 1.754 -2.460 161 1HE2 GLN 23 1HE2 GLN 23 -11.023 0.858 -4.405 162 2HE2 GLN 23 2HE2 GLN 23 -11.904 -0.628 -4.362 163 H ASN 24 H ASN 24 -9.059 -0.024 -2.448 164 HA ASN 24 HA ASN 24 -9.782 -2.727 -2.019 165 1HB ASN 24 1HB ASN 24 -9.569 -1.314 -4.233 166 2HB ASN 24 2HB ASN 24 -7.924 -1.942 -4.229 167 1HD2 ASN 24 1HD2 ASN 24 -11.180 -3.199 -3.567 168 2HD2 ASN 24 2HD2 ASN 24 -11.011 -4.619 -4.538 169 H GLN 25 H GLN 25 -6.629 -1.112 -2.286 170 HA GLN 25 HA GLN 25 -5.075 -3.443 -1.932 171 1HB GLN 25 1HB GLN 25 -4.462 -0.520 -1.510 172 2HB GLN 25 2HB GLN 25 -3.258 -1.786 -1.305 173 1HG GLN 25 1HG GLN 25 -3.375 -2.389 -3.595 174 2HG GLN 25 2HG GLN 25 -4.800 -1.382 -3.851 175 1HE2 GLN 25 1HE2 GLN 25 -3.557 -0.456 -5.594 176 2HE2 GLN 25 2HE2 GLN 25 -2.415 0.796 -5.256 177 H GLN 26 H GLN 26 -5.813 -0.815 0.366 178 HA GLN 26 HA GLN 26 -4.643 -1.933 2.614 179 1HB GLN 26 1HB GLN 26 -5.459 0.371 2.542 180 2HB GLN 26 2HB GLN 26 -7.118 -0.204 2.463 181 1HG GLN 26 1HG GLN 26 -6.628 0.526 4.694 182 2HG GLN 26 2HG GLN 26 -6.847 -1.223 4.685 183 1HE2 GLN 26 1HE2 GLN 26 -4.903 -2.542 4.675 184 2HE2 GLN 26 2HE2 GLN 26 -3.488 -1.960 5.476 185 H LYS 27 H LYS 27 -7.572 -2.794 1.001 186 HA LYS 27 HA LYS 27 -8.616 -4.307 3.244 187 1HB LYS 27 1HB LYS 27 -10.380 -3.454 2.029 188 2HB LYS 27 2HB LYS 27 -9.553 -3.648 0.489 189 1HG LYS 27 1HG LYS 27 -9.986 -5.997 0.474 190 2HG LYS 27 2HG LYS 27 -10.618 -5.941 2.121 191 1HD LYS 27 1HD LYS 27 -12.355 -4.302 1.203 192 2HD LYS 27 2HD LYS 27 -11.837 -4.841 -0.396 193 1HE LYS 27 1HE LYS 27 -12.691 -6.951 -0.110 194 2HE LYS 27 2HE LYS 27 -12.532 -6.894 1.645 195 1HZ LYS 27 1HZ LYS 27 -14.851 -6.805 0.897 196 2HZ LYS 27 2HZ LYS 27 -14.534 -5.361 0.076 197 3HZ LYS 27 3HZ LYS 27 -14.412 -5.418 1.762 198 H LEU 28 H LEU 28 -7.284 -4.987 0.021 199 HA LEU 28 HA LEU 28 -7.482 -7.742 0.012 200 1HB LEU 28 1HB LEU 28 -5.469 -5.864 -1.173 201 2HB LEU 28 2HB LEU 28 -5.324 -7.607 -1.387 202 HG LEU 28 HG LEU 28 -7.661 -5.923 -2.286 203 1HD1 LEU 28 1HD1 LEU 28 -6.222 -7.247 -4.379 204 2HD1 LEU 28 2HD1 LEU 28 -5.123 -6.234 -3.443 205 3HD1 LEU 28 3HD1 LEU 28 -6.566 -5.529 -4.172 206 1HD2 LEU 28 1HD2 LEU 28 -8.101 -8.094 -3.602 207 2HD2 LEU 28 2HD2 LEU 28 -8.542 -8.040 -1.895 208 3HD2 LEU 28 3HD2 LEU 28 -7.061 -8.856 -2.399 209 H LEU 29 H LEU 29 -5.067 -5.694 1.554 210 HA LEU 29 HA LEU 29 -3.292 -7.769 2.297 211 1HB LEU 29 1HB LEU 29 -2.425 -5.589 2.312 212 2HB LEU 29 2HB LEU 29 -3.756 -4.977 3.290 213 HG LEU 29 HG LEU 29 -2.771 -6.556 5.119 214 1HD1 LEU 29 1HD1 LEU 29 -0.143 -6.313 4.705 215 2HD1 LEU 29 2HD1 LEU 29 -0.673 -6.519 3.036 216 3HD1 LEU 29 3HD1 LEU 29 -1.059 -7.747 4.241 217 1HD2 LEU 29 1HD2 LEU 29 -1.553 -4.739 6.012 218 2HD2 LEU 29 2HD2 LEU 29 -2.858 -4.030 5.060 219 3HD2 LEU 29 3HD2 LEU 29 -1.218 -4.079 4.411 220 H GLU 30 H GLU 30 -5.581 -5.919 4.320 221 HA GLU 30 HA GLU 30 -5.409 -7.261 6.666 222 1HB GLU 30 1HB GLU 30 -7.961 -6.330 5.339 223 2HB GLU 30 2HB GLU 30 -7.800 -6.727 7.043 224 1HG GLU 30 1HG GLU 30 -6.393 -4.887 7.448 225 2HG GLU 30 2HG GLU 30 -6.129 -4.612 5.727 226 H LEU 31 H LEU 31 -7.419 -8.242 3.902 227 HA LEU 31 HA LEU 31 -8.488 -10.558 5.083 228 1HB LEU 31 1HB LEU 31 -8.168 -9.551 2.302 229 2HB LEU 31 2HB LEU 31 -8.597 -11.245 2.533 230 HG LEU 31 HG LEU 31 -10.535 -9.743 2.113 231 1HD1 LEU 31 1HD1 LEU 31 -10.336 -11.291 4.676 232 2HD1 LEU 31 2HD1 LEU 31 -11.052 -11.784 3.142 233 3HD1 LEU 31 3HD1 LEU 31 -11.848 -10.563 4.134 234 1HD2 LEU 31 1HD2 LEU 31 -9.907 -7.736 3.197 235 2HD2 LEU 31 2HD2 LEU 31 -9.643 -8.562 4.733 236 3HD2 LEU 31 3HD2 LEU 31 -11.280 -8.377 4.101 237 H ALA 32 H ALA 32 -5.542 -10.004 3.225 238 HA ALA 32 HA ALA 32 -4.811 -12.731 2.963 239 1HB ALA 32 1HB ALA 32 -3.717 -10.176 2.247 240 2HB ALA 32 2HB ALA 32 -2.461 -11.203 2.941 241 3HB ALA 32 3HB ALA 32 -3.394 -11.766 1.554 242 H LEU 33 H LEU 33 -4.103 -10.249 5.371 243 HA LEU 33 HA LEU 33 -2.105 -11.482 6.819 244 1HB LEU 33 1HB LEU 33 -4.264 -9.556 7.458 245 2HB LEU 33 2HB LEU 33 -3.448 -10.328 8.816 246 HG LEU 33 HG LEU 33 -2.614 -8.030 7.985 247 1HD1 LEU 33 1HD1 LEU 33 -1.165 -8.745 9.532 248 2HD1 LEU 33 2HD1 LEU 33 -0.148 -9.177 8.158 249 3HD1 LEU 33 3HD1 LEU 33 -1.171 -10.397 8.916 250 1HD2 LEU 33 1HD2 LEU 33 -0.978 -8.099 6.207 251 2HD2 LEU 33 2HD2 LEU 33 -2.536 -8.663 5.602 252 3HD2 LEU 33 3HD2 LEU 33 -1.261 -9.825 5.974 253 H GLN 34 H GLN 34 -5.575 -12.067 6.893 254 HA GLN 34 HA GLN 34 -5.552 -13.782 9.156 255 1HB GLN 34 1HB GLN 34 -7.565 -13.770 6.906 256 2HB GLN 34 2HB GLN 34 -7.811 -14.345 8.549 257 1HG GLN 34 1HG GLN 34 -7.165 -11.852 9.136 258 2HG GLN 34 2HG GLN 34 -7.746 -11.575 7.495 259 1HE2 GLN 34 1HE2 GLN 34 -9.910 -12.434 6.995 260 2HE2 GLN 34 2HE2 GLN 34 -11.114 -12.385 8.233 261 H GLN 35 H GLN 35 -5.719 -14.452 5.661 262 HA GLN 35 HA GLN 35 -5.636 -17.250 5.880 263 1HB GLN 35 1HB GLN 35 -4.847 -15.386 3.645 264 2HB GLN 35 2HB GLN 35 -4.812 -17.136 3.481 265 1HG GLN 35 1HG GLN 35 -7.215 -17.209 4.000 266 2HG GLN 35 2HG GLN 35 -7.230 -15.449 4.082 267 1HE2 GLN 35 1HE2 GLN 35 -5.950 -14.547 2.017 268 2HE2 GLN 35 2HE2 GLN 35 -6.586 -15.135 0.522 269 H TYR 36 H TYR 36 -3.109 -14.828 5.822 270 HA TYR 36 HA TYR 36 -1.157 -16.935 6.433 271 1HB TYR 36 1HB TYR 36 -0.342 -14.595 4.746 272 2HB TYR 36 2HB TYR 36 0.418 -16.175 4.896 273 HD1 TYR 36 HD1 TYR 36 -2.356 -14.311 3.350 274 HD2 TYR 36 HD2 TYR 36 -0.284 -18.023 3.538 275 HE1 TYR 36 HE1 TYR 36 -3.516 -15.055 1.313 276 HE2 TYR 36 HE2 TYR 36 -1.437 -18.776 1.500 277 HH TYR 36 HH TYR 36 -4.051 -16.951 0.087 278 HA PRO 37 HA PRO 37 -0.965 -13.705 9.675 279 1HB PRO 37 1HB PRO 37 -0.307 -15.444 11.653 280 2HB PRO 37 2HB PRO 37 -1.975 -15.154 11.145 281 1HG PRO 37 1HG PRO 37 -0.132 -17.394 10.406 282 2HG PRO 37 2HG PRO 37 -1.852 -17.455 10.836 283 1HD PRO 37 1HD PRO 37 -0.986 -17.556 8.272 284 2HD PRO 37 2HD PRO 37 -2.530 -16.808 8.730 285 H ARG 38 H ARG 38 0.846 -13.325 11.317 286 HA ARG 38 HA ARG 38 3.333 -13.314 9.905 287 1HB ARG 38 1HB ARG 38 4.160 -11.971 11.661 288 2HB ARG 38 2HB ARG 38 2.472 -11.514 11.484 289 1HG ARG 38 1HG ARG 38 2.006 -13.181 13.361 290 2HG ARG 38 2HG ARG 38 3.748 -13.154 13.641 291 1HD ARG 38 1HD ARG 38 2.273 -10.572 13.440 292 2HD ARG 38 2HD ARG 38 2.142 -11.516 14.924 293 HE ARG 38 HE ARG 38 4.398 -10.001 14.046 294 1HH1 ARG 38 1HH1 ARG 38 3.427 -12.802 15.869 295 2HH1 ARG 38 2HH1 ARG 38 4.840 -12.802 16.871 296 1HH2 ARG 38 1HH2 ARG 38 6.264 -9.989 15.358 297 2HH2 ARG 38 2HH2 ARG 38 6.453 -11.201 16.580 298 H GLY 39 H GLY 39 4.985 -14.702 10.030 299 1HA GLY 39 1HA GLY 39 5.554 -16.245 12.370 300 2HA GLY 39 2HA GLY 39 4.809 -17.223 11.114 301 H SER 40 H SER 40 5.918 -16.223 8.831 302 HA SER 40 HA SER 40 8.806 -16.182 9.150 303 1HB SER 40 1HB SER 40 7.285 -18.490 8.009 304 2HB SER 40 2HB SER 40 8.834 -18.059 7.284 305 HG SER 40 HG SER 40 9.287 -19.492 8.893 306 H SER 41 H SER 41 9.930 -15.727 7.123 307 HA SER 41 HA SER 41 8.824 -13.612 5.714 308 1HB SER 41 1HB SER 41 10.694 -13.898 4.127 309 2HB SER 41 2HB SER 41 11.236 -14.028 5.800 310 HG SER 41 HG SER 41 10.755 -16.433 5.300 311 H ASP 42 H ASP 42 8.451 -17.007 5.234 312 HA ASP 42 HA ASP 42 7.554 -16.830 2.508 313 1HB ASP 42 1HB ASP 42 7.162 -19.107 4.459 314 2HB ASP 42 2HB ASP 42 7.062 -19.187 2.702 315 H CYS 43 H CYS 43 6.099 -16.700 5.667 316 HA CYS 43 HA CYS 43 3.431 -17.241 4.915 317 1HB CYS 43 1HB CYS 43 4.576 -15.680 7.235 318 2HB CYS 43 2HB CYS 43 2.864 -16.046 7.060 319 HG CYS 43 HG CYS 43 4.335 -18.885 6.719 320 H TRP 44 H TRP 44 5.244 -14.212 5.244 321 HA TRP 44 HA TRP 44 3.027 -12.563 4.510 322 1HB TRP 44 1HB TRP 44 5.991 -12.010 4.702 323 2HB TRP 44 2HB TRP 44 4.797 -10.778 4.305 324 HD1 TRP 44 HD1 TRP 44 5.988 -12.960 7.223 325 HE1 TRP 44 HE1 TRP 44 5.087 -11.956 9.415 326 HE3 TRP 44 HE3 TRP 44 2.936 -9.352 5.271 327 HZ2 TRP 44 HZ2 TRP 44 3.317 -9.907 10.212 328 HZ3 TRP 44 HZ3 TRP 44 1.674 -7.913 6.817 329 HH2 TRP 44 HH2 TRP 44 1.861 -8.186 9.235 330 H ASP 45 H ASP 45 5.890 -13.788 2.819 331 HA ASP 45 HA ASP 45 5.884 -12.515 0.455 332 1HB ASP 45 1HB ASP 45 6.280 -15.406 1.119 333 2HB ASP 45 2HB ASP 45 6.288 -14.908 -0.570 334 H LYS 46 H LYS 46 3.418 -14.721 1.570 335 HA LYS 46 HA LYS 46 2.087 -14.892 -0.978 336 1HB LYS 46 1HB LYS 46 1.604 -15.927 1.771 337 2HB LYS 46 2HB LYS 46 0.216 -15.792 0.699 338 1HG LYS 46 1HG LYS 46 0.965 -17.426 -0.708 339 2HG LYS 46 2HG LYS 46 2.663 -17.130 -0.328 340 1HD LYS 46 1HD LYS 46 2.569 -18.362 1.637 341 2HD LYS 46 2HD LYS 46 0.815 -18.213 1.763 342 1HE LYS 46 1HE LYS 46 0.586 -19.674 -0.215 343 2HE LYS 46 2HE LYS 46 2.337 -19.869 -0.247 344 1HZ LYS 46 1HZ LYS 46 0.379 -20.970 1.629 345 2HZ LYS 46 2HZ LYS 46 1.920 -20.603 2.220 346 3HZ LYS 46 3HZ LYS 46 1.744 -21.698 0.943 347 H ILE 47 H ILE 47 1.560 -13.180 2.079 348 HA ILE 47 HA ILE 47 -0.889 -12.017 1.593 349 HB ILE 47 HB ILE 47 1.492 -10.812 3.006 350 1HG1 ILE 47 1HG1 ILE 47 -0.972 -12.050 4.225 351 2HG1 ILE 47 2HG1 ILE 47 0.452 -13.006 3.828 352 1HG2 ILE 47 1HG2 ILE 47 -1.018 -9.837 3.961 353 2HG2 ILE 47 2HG2 ILE 47 0.346 -8.936 3.300 354 3HG2 ILE 47 3HG2 ILE 47 -0.905 -9.556 2.223 355 1HD1 ILE 47 1HD1 ILE 47 -0.054 -11.577 6.174 356 2HD1 ILE 47 2HD1 ILE 47 1.436 -12.400 5.710 357 3HD1 ILE 47 3HD1 ILE 47 1.217 -10.692 5.330 358 H ALA 48 H ALA 48 2.285 -11.029 0.423 359 HA ALA 48 HA ALA 48 1.523 -8.546 -0.673 360 1HB ALA 48 1HB ALA 48 3.655 -9.976 -2.090 361 2HB ALA 48 2HB ALA 48 3.667 -8.391 -1.317 362 3HB ALA 48 3HB ALA 48 3.886 -9.847 -0.346 363 H ARG 49 H ARG 49 1.328 -11.827 -1.877 364 HA ARG 49 HA ARG 49 0.980 -11.370 -4.592 365 1HB ARG 49 1HB ARG 49 -0.335 -13.467 -2.855 366 2HB ARG 49 2HB ARG 49 -0.278 -13.506 -4.612 367 1HG ARG 49 1HG ARG 49 2.222 -13.507 -4.437 368 2HG ARG 49 2HG ARG 49 2.028 -13.723 -2.696 369 1HD ARG 49 1HD ARG 49 2.302 -15.895 -3.502 370 2HD ARG 49 2HD ARG 49 0.557 -15.733 -3.310 371 HE ARG 49 HE ARG 49 1.476 -15.063 -5.944 372 1HH1 ARG 49 1HH1 ARG 49 0.522 -17.664 -3.835 373 2HH1 ARG 49 2HH1 ARG 49 0.059 -18.718 -5.130 374 1HH2 ARG 49 1HH2 ARG 49 0.870 -16.441 -7.657 375 2HH2 ARG 49 2HH2 ARG 49 0.258 -18.022 -7.304 376 H CYS 50 H CYS 50 -1.471 -11.451 -2.018 377 HA CYS 50 HA CYS 50 -3.667 -10.904 -3.718 378 1HB CYS 50 1HB CYS 50 -3.533 -11.783 -1.221 379 2HB CYS 50 2HB CYS 50 -3.714 -10.073 -0.850 380 HG CYS 50 HG CYS 50 -6.105 -11.996 -1.060 381 H VAL 51 H VAL 51 -1.096 -8.991 -2.934 382 HA VAL 51 HA VAL 51 -2.666 -6.525 -3.318 383 HB VAL 51 HB VAL 51 0.031 -6.528 -2.003 384 1HG1 VAL 51 1HG1 VAL 51 -1.284 -4.464 -2.894 385 2HG1 VAL 51 2HG1 VAL 51 -2.236 -4.670 -1.423 386 3HG1 VAL 51 3HG1 VAL 51 -0.498 -4.389 -1.317 387 1HG2 VAL 51 1HG2 VAL 51 -1.395 -8.105 -0.755 388 2HG2 VAL 51 2HG2 VAL 51 -1.017 -6.658 0.178 389 3HG2 VAL 51 3HG2 VAL 51 -2.605 -6.836 -0.567 390 HA PRO 52 HA PRO 52 -0.028 -6.898 -7.040 391 1HB PRO 52 1HB PRO 52 -1.773 -5.591 -8.657 392 2HB PRO 52 2HB PRO 52 -1.907 -7.316 -8.295 393 1HG PRO 52 1HG PRO 52 -3.384 -5.008 -7.090 394 2HG PRO 52 2HG PRO 52 -4.002 -6.591 -7.594 395 1HD PRO 52 1HD PRO 52 -3.470 -5.992 -5.008 396 2HD PRO 52 2HD PRO 52 -3.277 -7.628 -5.668 397 H SER 53 H SER 53 -0.821 -4.482 -4.955 398 HA SER 53 HA SER 53 0.419 -2.379 -6.597 399 1HB SER 53 1HB SER 53 -1.623 -1.513 -5.862 400 2HB SER 53 2HB SER 53 -1.501 -2.298 -4.288 401 HG SER 53 HG SER 53 -0.588 -0.557 -3.580 402 H LYS 54 H LYS 54 0.434 -3.781 -3.335 403 HA LYS 54 HA LYS 54 3.072 -2.574 -2.872 404 1HB LYS 54 1HB LYS 54 1.384 -3.957 -0.798 405 2HB LYS 54 2HB LYS 54 2.693 -2.808 -0.550 406 1HG LYS 54 1HG LYS 54 0.295 -1.894 -2.044 407 2HG LYS 54 2HG LYS 54 0.165 -2.112 -0.297 408 1HD LYS 54 1HD LYS 54 1.796 -0.494 0.142 409 2HD LYS 54 2HD LYS 54 2.421 -0.547 -1.507 410 1HE LYS 54 1HE LYS 54 1.073 1.491 -0.952 411 2HE LYS 54 2HE LYS 54 0.505 0.584 -2.353 412 1HZ LYS 54 1HZ LYS 54 -1.464 0.738 -1.326 413 2HZ LYS 54 2HZ LYS 54 -0.786 1.047 0.192 414 3HZ LYS 54 3HZ LYS 54 -0.903 -0.543 -0.375 415 H SER 55 H SER 55 4.607 -3.951 -1.574 416 HA SER 55 HA SER 55 4.562 -6.699 -2.632 417 1HB SER 55 1HB SER 55 6.773 -4.740 -2.155 418 2HB SER 55 2HB SER 55 7.126 -6.465 -2.042 419 HG SER 55 HG SER 55 7.041 -6.578 -4.132 420 H LYS 56 H LYS 56 5.998 -8.205 -1.230 421 HA LYS 56 HA LYS 56 4.738 -8.693 1.171 422 1HB LYS 56 1HB LYS 56 6.095 -10.372 0.054 423 2HB LYS 56 2HB LYS 56 7.552 -9.430 0.346 424 1HG LYS 56 1HG LYS 56 5.861 -10.387 2.622 425 2HG LYS 56 2HG LYS 56 7.053 -11.444 1.861 426 1HD LYS 56 1HD LYS 56 8.630 -9.364 2.223 427 2HD LYS 56 2HD LYS 56 7.453 -8.972 3.479 428 1HE LYS 56 1HE LYS 56 7.793 -11.185 4.475 429 2HE LYS 56 2HE LYS 56 8.975 -11.566 3.224 430 1HZ LYS 56 1HZ LYS 56 9.573 -9.110 4.551 431 2HZ LYS 56 2HZ LYS 56 10.550 -10.471 4.317 432 3HZ LYS 56 3HZ LYS 56 9.497 -10.403 5.640 433 H GLU 57 H GLU 57 7.927 -7.158 0.731 434 HA GLU 57 HA GLU 57 8.489 -6.602 3.380 435 1HB GLU 57 1HB GLU 57 9.218 -5.197 0.826 436 2HB GLU 57 2HB GLU 57 9.752 -4.575 2.380 437 1HG GLU 57 1HG GLU 57 11.095 -6.421 2.802 438 2HG GLU 57 2HG GLU 57 10.259 -7.420 1.615 439 H ASP 58 H ASP 58 6.862 -4.473 1.031 440 HA ASP 58 HA ASP 58 6.327 -2.368 2.792 441 1HB ASP 58 1HB ASP 58 4.821 -3.273 0.331 442 2HB ASP 58 2HB ASP 58 4.533 -1.747 1.162 443 H CYS 59 H CYS 59 4.496 -5.294 2.063 444 HA CYS 59 HA CYS 59 2.112 -4.695 3.353 445 1HB CYS 59 1HB CYS 59 3.568 -7.293 2.910 446 2HB CYS 59 2HB CYS 59 2.016 -7.240 3.737 447 HG CYS 59 HG CYS 59 0.789 -5.917 1.476 448 H ILE 60 H ILE 60 5.130 -5.971 4.675 449 HA ILE 60 HA ILE 60 4.100 -6.333 7.315 450 HB ILE 60 HB ILE 60 6.946 -6.171 6.321 451 1HG1 ILE 60 1HG1 ILE 60 5.600 -8.654 7.310 452 2HG1 ILE 60 2HG1 ILE 60 5.263 -8.093 5.676 453 1HG2 ILE 60 1HG2 ILE 60 6.027 -7.219 8.987 454 2HG2 ILE 60 2HG2 ILE 60 7.678 -6.931 8.440 455 3HG2 ILE 60 3HG2 ILE 60 6.601 -5.568 8.748 456 1HD1 ILE 60 1HD1 ILE 60 7.836 -9.063 6.842 457 2HD1 ILE 60 2HD1 ILE 60 6.994 -9.598 5.387 458 3HD1 ILE 60 3HD1 ILE 60 7.820 -8.040 5.406 459 H ALA 61 H ALA 61 5.959 -3.805 5.688 460 HA ALA 61 HA ALA 61 6.564 -2.218 7.901 461 1HB ALA 61 1HB ALA 61 6.677 -0.341 6.242 462 2HB ALA 61 2HB ALA 61 7.630 -1.766 5.823 463 3HB ALA 61 3HB ALA 61 6.085 -1.472 5.024 464 H ARG 62 H ARG 62 3.567 -2.752 6.286 465 HA ARG 62 HA ARG 62 2.323 -0.362 7.375 466 1HB ARG 62 1HB ARG 62 1.763 -1.258 5.097 467 2HB ARG 62 2HB ARG 62 1.022 -2.644 5.885 468 1HG ARG 62 1HG ARG 62 -0.694 -1.093 5.293 469 2HG ARG 62 2HG ARG 62 -0.522 -1.091 7.049 470 1HD ARG 62 1HD ARG 62 0.883 0.932 6.874 471 2HD ARG 62 2HD ARG 62 0.609 0.944 5.132 472 HE ARG 62 HE ARG 62 -1.896 0.950 6.164 473 1HH1 ARG 62 1HH1 ARG 62 0.925 2.923 6.682 474 2HH1 ARG 62 2HH1 ARG 62 0.018 4.350 7.060 475 1HH2 ARG 62 1HH2 ARG 62 -3.101 2.822 6.661 476 2HH2 ARG 62 2HH2 ARG 62 -2.272 4.291 7.049 477 H TYR 63 H TYR 63 2.138 -3.877 7.784 478 HA TYR 63 HA TYR 63 0.066 -4.143 9.538 479 1HB TYR 63 1HB TYR 63 1.358 -6.045 8.698 480 2HB TYR 63 2HB TYR 63 2.735 -5.562 9.682 481 HD1 TYR 63 HD1 TYR 63 -0.748 -6.814 9.836 482 HD2 TYR 63 HD2 TYR 63 2.892 -6.204 11.953 483 HE1 TYR 63 HE1 TYR 63 -1.605 -8.183 11.691 484 HE2 TYR 63 HE2 TYR 63 2.046 -7.572 13.814 485 HH TYR 63 HH TYR 63 -0.185 -9.655 13.700 486 H LYS 64 H LYS 64 3.337 -3.037 10.260 487 HA LYS 64 HA LYS 64 3.348 -3.038 13.002 488 1HB LYS 64 1HB LYS 64 4.479 -1.021 11.065 489 2HB LYS 64 2HB LYS 64 4.790 -0.952 12.795 490 1HG LYS 64 1HG LYS 64 6.148 -2.782 12.768 491 2HG LYS 64 2HG LYS 64 5.334 -3.505 11.378 492 1HD LYS 64 1HD LYS 64 6.345 -1.796 9.924 493 2HD LYS 64 2HD LYS 64 7.189 -1.123 11.321 494 1HE LYS 64 1HE LYS 64 8.003 -3.637 11.559 495 2HE LYS 64 2HE LYS 64 7.680 -3.644 9.826 496 1HZ LYS 64 1HZ LYS 64 9.705 -2.167 11.334 497 2HZ LYS 64 2HZ LYS 64 9.062 -1.431 9.954 498 3HZ LYS 64 3HZ LYS 64 9.826 -2.935 9.832 499 H LEU 65 H LEU 65 1.795 -0.719 10.846 500 HA LEU 65 HA LEU 65 0.935 0.985 13.001 501 1HB LEU 65 1HB LEU 65 0.051 0.923 10.120 502 2HB LEU 65 2HB LEU 65 -0.271 2.211 11.279 503 HG LEU 65 HG LEU 65 2.387 2.253 11.380 504 1HD1 LEU 65 1HD1 LEU 65 2.833 2.047 8.712 505 2HD1 LEU 65 2HD1 LEU 65 1.731 0.698 8.983 506 3HD1 LEU 65 3HD1 LEU 65 3.236 0.803 9.896 507 1HD2 LEU 65 1HD2 LEU 65 0.641 4.013 10.667 508 2HD2 LEU 65 2HD2 LEU 65 1.053 3.529 9.021 509 3HD2 LEU 65 3HD2 LEU 65 2.299 4.181 10.087 510 H LEU 66 H LEU 66 -0.451 -1.580 11.041 511 HA LEU 66 HA LEU 66 -3.142 -1.270 11.711 512 1HB LEU 66 1HB LEU 66 -1.445 -3.542 10.816 513 2HB LEU 66 2HB LEU 66 -3.060 -3.897 11.425 514 HG LEU 66 HG LEU 66 -3.710 -2.012 9.659 515 1HD1 LEU 66 1HD1 LEU 66 -2.200 -1.539 8.098 516 2HD1 LEU 66 2HD1 LEU 66 -1.786 -3.239 7.880 517 3HD1 LEU 66 3HD1 LEU 66 -1.002 -2.297 9.148 518 1HD2 LEU 66 1HD2 LEU 66 -4.098 -4.670 9.881 519 2HD2 LEU 66 2HD2 LEU 66 -3.172 -4.611 8.381 520 3HD2 LEU 66 3HD2 LEU 66 -4.677 -3.703 8.524 521 H VAL 67 H VAL 67 -0.611 -3.185 13.308 522 HA VAL 67 HA VAL 67 -2.342 -4.078 15.406 523 HB VAL 67 HB VAL 67 -0.212 -4.828 16.499 524 1HG1 VAL 67 1HG1 VAL 67 -1.586 -6.155 14.819 525 2HG1 VAL 67 2HG1 VAL 67 -0.347 -5.731 13.636 526 3HG1 VAL 67 3HG1 VAL 67 0.083 -6.670 15.066 527 1HG2 VAL 67 1HG2 VAL 67 1.178 -4.085 13.952 528 2HG2 VAL 67 2HG2 VAL 67 1.105 -2.956 15.305 529 3HG2 VAL 67 3HG2 VAL 67 1.873 -4.531 15.510 530 H SER 68 H SER 68 -0.043 -1.453 14.991 531 HA SER 68 HA SER 68 0.320 -0.628 17.600 532 1HB SER 68 1HB SER 68 0.322 0.762 14.962 533 2HB SER 68 2HB SER 68 0.314 1.760 16.416 534 HG SER 68 HG SER 68 2.136 0.276 17.063 535 H GLY 69 H GLY 69 -2.353 0.128 15.399 536 1HA GLY 69 1HA GLY 69 -4.284 1.372 15.788 537 2HA GLY 69 2HA GLY 69 -4.446 0.162 17.052 538 HA PRO 70 HA PRO 70 -4.535 3.457 19.960 539 1HB PRO 70 1HB PRO 70 -3.905 2.060 22.201 540 2HB PRO 70 2HB PRO 70 -5.482 1.949 21.412 541 1HG PRO 70 1HG PRO 70 -3.137 0.098 21.227 542 2HG PRO 70 2HG PRO 70 -4.859 -0.291 21.390 543 1HD PRO 70 1HD PRO 70 -3.558 -0.410 19.019 544 2HD PRO 70 2HD PRO 70 -5.273 0.028 19.145 545 H SER 71 H SER 71 -3.119 4.165 21.960 546 HA SER 71 HA SER 71 -0.325 4.186 21.033 547 1HB SER 71 1HB SER 71 -1.366 6.393 20.993 548 2HB SER 71 2HB SER 71 -1.833 6.228 22.685 549 HG SER 71 HG SER 71 0.640 5.843 22.853 550 H SER 72 H SER 72 -2.332 4.147 23.962 551 HA SER 72 HA SER 72 -0.058 3.448 25.616 552 1HB SER 72 1HB SER 72 -2.991 3.862 26.209 553 2HB SER 72 2HB SER 72 -1.836 3.333 27.432 554 HG SER 72 HG SER 72 -2.097 5.807 26.173 555 H GLY 73 H GLY 73 0.623 1.430 24.957 556 1HA GLY 73 1HA GLY 73 -1.050 -0.781 25.854 557 2HA GLY 73 2HA GLY 73 -0.609 -0.786 24.153 Start of MODEL 13 1 1H GLY 1 1H GLY 1 1.664 -5.010 -22.180 2 1HA GLY 1 1HA GLY 1 4.146 -4.741 -21.505 3 2HA GLY 1 2HA GLY 1 3.993 -6.443 -21.096 4 H SER 2 H SER 2 5.868 -5.566 -22.926 5 HA SER 2 HA SER 2 5.031 -7.046 -25.272 6 1HB SER 2 1HB SER 2 5.622 -5.304 -26.868 7 2HB SER 2 2HB SER 2 4.365 -4.709 -25.784 8 HG SER 2 HG SER 2 5.680 -3.189 -25.211 9 H SER 3 H SER 3 6.815 -7.630 -26.658 10 HA SER 3 HA SER 3 9.221 -8.096 -25.147 11 1HB SER 3 1HB SER 3 8.576 -8.800 -28.020 12 2HB SER 3 2HB SER 3 9.931 -9.424 -27.080 13 HG SER 3 HG SER 3 7.983 -9.999 -25.580 14 H GLY 4 H GLY 4 10.526 -6.376 -24.895 15 1HA GLY 4 1HA GLY 4 12.441 -5.370 -26.175 16 2HA GLY 4 2HA GLY 4 11.218 -4.828 -27.315 17 H SER 5 H SER 5 13.097 -3.898 -24.766 18 HA SER 5 HA SER 5 11.377 -2.257 -23.258 19 1HB SER 5 1HB SER 5 13.644 -2.910 -22.514 20 2HB SER 5 2HB SER 5 14.339 -1.892 -23.775 21 HG SER 5 HG SER 5 12.984 -0.177 -22.690 22 H SER 6 H SER 6 10.160 -0.697 -24.092 23 HA SER 6 HA SER 6 10.302 0.551 -26.491 24 1HB SER 6 1HB SER 6 9.425 1.746 -23.854 25 2HB SER 6 2HB SER 6 9.114 2.490 -25.422 26 HG SER 6 HG SER 6 7.714 0.597 -24.203 27 H GLY 7 H GLY 7 11.605 2.020 -23.505 28 1HA GLY 7 1HA GLY 7 14.091 2.682 -24.026 29 2HA GLY 7 2HA GLY 7 13.285 3.760 -25.157 30 H SER 8 H SER 8 12.205 2.857 -21.915 31 HA SER 8 HA SER 8 12.733 5.610 -21.025 32 1HB SER 8 1HB SER 8 10.366 5.483 -21.607 33 2HB SER 8 2HB SER 8 10.172 4.054 -20.593 34 HG SER 8 HG SER 8 10.985 6.607 -19.657 35 H LEU 9 H LEU 9 13.893 5.652 -19.226 36 HA LEU 9 HA LEU 9 13.644 3.420 -17.324 37 1HB LEU 9 1HB LEU 9 15.972 3.325 -16.987 38 2HB LEU 9 2HB LEU 9 15.728 3.327 -18.733 39 HG LEU 9 HG LEU 9 16.287 5.919 -17.374 40 1HD1 LEU 9 1HD1 LEU 9 18.736 5.450 -17.716 41 2HD1 LEU 9 2HD1 LEU 9 18.307 3.747 -17.872 42 3HD1 LEU 9 3HD1 LEU 9 17.978 4.604 -16.367 43 1HD2 LEU 9 1HD2 LEU 9 16.819 6.620 -19.448 44 2HD2 LEU 9 2HD2 LEU 9 15.844 5.236 -19.946 45 3HD2 LEU 9 3HD2 LEU 9 17.602 5.099 -19.879 46 H ARG 10 H ARG 10 13.655 3.945 -15.177 47 HA ARG 10 HA ARG 10 14.543 6.406 -14.118 48 1HB ARG 10 1HB ARG 10 12.413 7.455 -13.577 49 2HB ARG 10 2HB ARG 10 12.579 7.277 -15.319 50 1HG ARG 10 1HG ARG 10 11.177 5.216 -15.162 51 2HG ARG 10 2HG ARG 10 10.896 5.611 -13.465 52 1HD ARG 10 1HD ARG 10 10.207 7.945 -14.482 53 2HD ARG 10 2HD ARG 10 9.924 6.975 -15.927 54 HE ARG 10 HE ARG 10 8.682 5.717 -13.759 55 1HH1 ARG 10 1HH1 ARG 10 8.399 8.617 -15.665 56 2HH1 ARG 10 2HH1 ARG 10 6.689 8.761 -15.429 57 1HH2 ARG 10 1HH2 ARG 10 6.430 5.896 -13.441 58 2HH2 ARG 10 2HH2 ARG 10 5.570 7.214 -14.163 59 H LYS 11 H LYS 11 15.106 5.899 -12.117 60 HA LYS 11 HA LYS 11 14.094 3.543 -10.830 61 1HB LYS 11 1HB LYS 11 16.476 4.607 -10.712 62 2HB LYS 11 2HB LYS 11 15.776 5.603 -9.443 63 1HG LYS 11 1HG LYS 11 15.310 3.708 -8.093 64 2HG LYS 11 2HG LYS 11 15.685 2.598 -9.413 65 1HD LYS 11 1HD LYS 11 17.799 4.498 -8.540 66 2HD LYS 11 2HD LYS 11 17.430 3.128 -7.489 67 1HE LYS 11 1HE LYS 11 18.114 1.575 -9.056 68 2HE LYS 11 2HE LYS 11 17.861 2.676 -10.410 69 1HZ LYS 11 1HZ LYS 11 19.893 3.581 -10.170 70 2HZ LYS 11 2HZ LYS 11 20.255 2.107 -9.425 71 3HZ LYS 11 3HZ LYS 11 19.889 3.463 -8.483 72 H GLU 12 H GLU 12 11.959 3.779 -10.303 73 HA GLU 12 HA GLU 12 11.052 6.134 -8.876 74 1HB GLU 12 1HB GLU 12 8.846 5.162 -9.020 75 2HB GLU 12 2HB GLU 12 9.632 5.040 -10.588 76 1HG GLU 12 1HG GLU 12 9.851 2.759 -10.458 77 2HG GLU 12 2HG GLU 12 9.800 2.747 -8.696 78 H ARG 13 H ARG 13 13.047 4.702 -7.509 79 HA ARG 13 HA ARG 13 11.632 3.267 -5.386 80 1HB ARG 13 1HB ARG 13 13.651 2.225 -6.340 81 2HB ARG 13 2HB ARG 13 14.598 3.625 -5.853 82 1HG ARG 13 1HG ARG 13 15.045 2.094 -4.184 83 2HG ARG 13 2HG ARG 13 13.762 3.076 -3.474 84 1HD ARG 13 1HD ARG 13 12.963 0.987 -3.006 85 2HD ARG 13 2HD ARG 13 12.219 1.250 -4.583 86 HE ARG 13 HE ARG 13 13.512 -0.437 -5.430 87 1HH1 ARG 13 1HH1 ARG 13 14.832 0.582 -2.373 88 2HH1 ARG 13 2HH1 ARG 13 15.994 -0.702 -2.300 89 1HH2 ARG 13 1HH2 ARG 13 15.037 -2.131 -5.344 90 2HH2 ARG 13 2HH2 ARG 13 16.110 -2.243 -3.990 91 H ALA 14 H ALA 14 13.883 5.983 -5.814 92 HA ALA 14 HA ALA 14 13.672 6.787 -3.059 93 1HB ALA 14 1HB ALA 14 15.226 8.460 -3.561 94 2HB ALA 14 2HB ALA 14 15.680 7.116 -4.609 95 3HB ALA 14 3HB ALA 14 14.784 8.484 -5.269 96 H ARG 15 H ARG 15 12.545 8.098 -6.169 97 HA ARG 15 HA ARG 15 11.304 10.394 -5.339 98 1HB ARG 15 1HB ARG 15 11.504 9.455 -7.703 99 2HB ARG 15 2HB ARG 15 10.051 8.530 -7.349 100 1HG ARG 15 1HG ARG 15 9.275 10.420 -8.462 101 2HG ARG 15 2HG ARG 15 8.983 10.774 -6.758 102 1HD ARG 15 1HD ARG 15 9.916 12.722 -7.830 103 2HD ARG 15 2HD ARG 15 11.095 12.055 -6.700 104 HE ARG 15 HE ARG 15 11.649 10.936 -9.168 105 1HH1 ARG 15 1HH1 ARG 15 11.564 14.116 -7.753 106 2HH1 ARG 15 2HH1 ARG 15 12.795 14.754 -8.793 107 1HH2 ARG 15 1HH2 ARG 15 13.270 11.764 -10.543 108 2HH2 ARG 15 2HH2 ARG 15 13.763 13.415 -10.380 109 H SER 16 H SER 16 9.782 7.175 -5.538 110 HA SER 16 HA SER 16 7.766 8.119 -3.607 111 1HB SER 16 1HB SER 16 7.447 5.952 -5.697 112 2HB SER 16 2HB SER 16 6.199 6.523 -4.589 113 HG SER 16 HG SER 16 7.485 8.048 -6.610 114 H ALA 17 H ALA 17 9.156 7.500 -1.867 115 HA ALA 17 HA ALA 17 9.852 4.698 -1.585 116 1HB ALA 17 1HB ALA 17 11.010 5.350 0.412 117 2HB ALA 17 2HB ALA 17 11.385 6.516 -0.858 118 3HB ALA 17 3HB ALA 17 10.226 6.930 0.406 119 H GLU 18 H GLU 18 7.804 7.065 0.109 120 HA GLU 18 HA GLU 18 6.416 4.815 1.405 121 1HB GLU 18 1HB GLU 18 5.669 6.465 3.091 122 2HB GLU 18 2HB GLU 18 7.419 6.314 3.020 123 1HG GLU 18 1HG GLU 18 7.269 8.343 1.410 124 2HG GLU 18 2HG GLU 18 5.678 8.569 2.135 125 H GLU 19 H GLU 19 4.966 4.377 -0.256 126 HA GLU 19 HA GLU 19 3.208 6.532 -1.151 127 1HB GLU 19 1HB GLU 19 3.547 3.677 -2.074 128 2HB GLU 19 2HB GLU 19 2.320 4.764 -2.711 129 1HG GLU 19 1HG GLU 19 5.239 5.447 -2.769 130 2HG GLU 19 2HG GLU 19 4.464 4.510 -4.045 131 HA PRO 20 HA PRO 20 -0.128 5.427 1.484 132 1HB PRO 20 1HB PRO 20 -2.232 6.185 -0.055 133 2HB PRO 20 2HB PRO 20 -1.165 7.342 0.749 134 1HG PRO 20 1HG PRO 20 -1.151 6.413 -2.097 135 2HG PRO 20 2HG PRO 20 -0.947 8.053 -1.455 136 1HD PRO 20 1HD PRO 20 1.145 6.530 -2.252 137 2HD PRO 20 2HD PRO 20 1.270 7.707 -0.928 138 H TRP 21 H TRP 21 -2.350 4.284 1.352 139 HA TRP 21 HA TRP 21 -2.144 1.976 -0.469 140 1HB TRP 21 1HB TRP 21 -2.804 2.045 2.470 141 2HB TRP 21 2HB TRP 21 -3.270 0.689 1.447 142 HD1 TRP 21 HD1 TRP 21 0.072 2.634 1.915 143 HE1 TRP 21 HE1 TRP 21 1.956 0.898 2.172 144 HE3 TRP 21 HE3 TRP 21 -2.710 -1.641 1.571 145 HZ2 TRP 21 HZ2 TRP 21 2.226 -1.911 2.223 146 HZ3 TRP 21 HZ3 TRP 21 -1.563 -3.811 1.734 147 HH2 TRP 21 HH2 TRP 21 0.854 -3.941 2.052 148 H THR 22 H THR 22 -3.758 2.070 -1.879 149 HA THR 22 HA THR 22 -6.052 3.626 -1.672 150 HB THR 22 HB THR 22 -6.816 2.629 -3.638 151 HG1 THR 22 HG1 THR 22 -5.297 0.297 -3.014 152 1HG2 THR 22 1HG2 THR 22 -4.232 3.397 -3.518 153 2HG2 THR 22 2HG2 THR 22 -5.030 2.888 -5.006 154 3HG2 THR 22 3HG2 THR 22 -4.038 1.745 -4.101 155 H GLN 23 H GLN 23 -8.336 2.568 -1.911 156 HA GLN 23 HA GLN 23 -8.977 1.425 0.593 157 1HB GLN 23 1HB GLN 23 -11.268 1.184 -0.378 158 2HB GLN 23 2HB GLN 23 -10.598 2.804 -0.512 159 1HG GLN 23 1HG GLN 23 -10.255 2.607 -2.804 160 2HG GLN 23 2HG GLN 23 -10.362 0.848 -2.763 161 1HE2 GLN 23 1HE2 GLN 23 -11.957 0.671 -4.279 162 2HE2 GLN 23 2HE2 GLN 23 -13.577 1.211 -4.022 163 H ASN 24 H ASN 24 -8.622 0.071 -2.645 164 HA ASN 24 HA ASN 24 -9.562 -2.526 -1.981 165 1HB ASN 24 1HB ASN 24 -9.192 -1.352 -4.317 166 2HB ASN 24 2HB ASN 24 -7.600 -2.096 -4.197 167 1HD2 ASN 24 1HD2 ASN 24 -10.970 -3.018 -3.559 168 2HD2 ASN 24 2HD2 ASN 24 -10.881 -4.544 -4.365 169 H GLN 25 H GLN 25 -6.318 -1.112 -2.256 170 HA GLN 25 HA GLN 25 -4.836 -3.422 -1.758 171 1HB GLN 25 1HB GLN 25 -4.330 -0.498 -1.456 172 2HB GLN 25 2HB GLN 25 -3.191 -1.619 -0.722 173 1HG GLN 25 1HG GLN 25 -2.457 -0.945 -2.933 174 2HG GLN 25 2HG GLN 25 -2.811 -2.671 -2.881 175 1HE2 GLN 25 1HE2 GLN 25 -3.201 0.091 -4.627 176 2HE2 GLN 25 2HE2 GLN 25 -4.560 -0.367 -5.590 177 H GLN 26 H GLN 26 -5.604 -0.841 0.586 178 HA GLN 26 HA GLN 26 -4.683 -2.053 2.869 179 1HB GLN 26 1HB GLN 26 -5.565 0.271 2.708 180 2HB GLN 26 2HB GLN 26 -7.196 -0.386 2.680 181 1HG GLN 26 1HG GLN 26 -6.605 0.418 4.893 182 2HG GLN 26 2HG GLN 26 -6.876 -1.324 4.898 183 1HE2 GLN 26 1HE2 GLN 26 -5.005 -2.709 4.904 184 2HE2 GLN 26 2HE2 GLN 26 -3.538 -2.163 5.637 185 H LYS 27 H LYS 27 -7.497 -2.833 1.015 186 HA LYS 27 HA LYS 27 -8.749 -4.392 3.097 187 1HB LYS 27 1HB LYS 27 -10.258 -3.410 1.567 188 2HB LYS 27 2HB LYS 27 -9.328 -3.950 0.176 189 1HG LYS 27 1HG LYS 27 -10.017 -6.206 0.491 190 2HG LYS 27 2HG LYS 27 -10.746 -5.825 2.053 191 1HD LYS 27 1HD LYS 27 -12.116 -4.109 0.554 192 2HD LYS 27 2HD LYS 27 -11.740 -5.297 -0.695 193 1HE LYS 27 1HE LYS 27 -13.682 -6.197 0.077 194 2HE LYS 27 2HE LYS 27 -12.559 -6.973 1.193 195 1HZ LYS 27 1HZ LYS 27 -13.590 -4.377 2.002 196 2HZ LYS 27 2HZ LYS 27 -13.305 -5.765 2.926 197 3HZ LYS 27 3HZ LYS 27 -14.708 -5.647 1.988 198 H LEU 28 H LEU 28 -7.380 -5.203 -0.100 199 HA LEU 28 HA LEU 28 -7.437 -7.927 0.027 200 1HB LEU 28 1HB LEU 28 -5.290 -6.142 -1.099 201 2HB LEU 28 2HB LEU 28 -5.353 -7.882 -1.373 202 HG LEU 28 HG LEU 28 -7.450 -5.894 -2.244 203 1HD1 LEU 28 1HD1 LEU 28 -4.993 -6.247 -3.359 204 2HD1 LEU 28 2HD1 LEU 28 -6.432 -5.721 -4.231 205 3HD1 LEU 28 3HD1 LEU 28 -5.962 -7.420 -4.251 206 1HD2 LEU 28 1HD2 LEU 28 -7.217 -8.874 -2.449 207 2HD2 LEU 28 2HD2 LEU 28 -8.137 -7.949 -3.637 208 3HD2 LEU 28 3HD2 LEU 28 -8.592 -7.897 -1.933 209 H LEU 29 H LEU 29 -5.175 -5.767 1.626 210 HA LEU 29 HA LEU 29 -3.362 -7.767 2.497 211 1HB LEU 29 1HB LEU 29 -2.624 -5.509 2.437 212 2HB LEU 29 2HB LEU 29 -3.952 -4.982 3.469 213 HG LEU 29 HG LEU 29 -2.857 -6.483 5.263 214 1HD1 LEU 29 1HD1 LEU 29 -1.302 -7.622 3.762 215 2HD1 LEU 29 2HD1 LEU 29 -0.447 -6.747 5.031 216 3HD1 LEU 29 3HD1 LEU 29 -0.520 -6.083 3.399 217 1HD2 LEU 29 1HD2 LEU 29 -0.959 -4.423 5.182 218 2HD2 LEU 29 2HD2 LEU 29 -2.490 -4.443 6.058 219 3HD2 LEU 29 3HD2 LEU 29 -2.415 -3.771 4.428 220 H GLU 30 H GLU 30 -5.744 -5.897 4.391 221 HA GLU 30 HA GLU 30 -5.638 -7.206 6.765 222 1HB GLU 30 1HB GLU 30 -8.134 -6.256 5.349 223 2HB GLU 30 2HB GLU 30 -8.046 -6.660 7.058 224 1HG GLU 30 1HG GLU 30 -6.688 -4.825 7.544 225 2HG GLU 30 2HG GLU 30 -6.257 -4.583 5.853 226 H LEU 31 H LEU 31 -7.682 -8.175 4.014 227 HA LEU 31 HA LEU 31 -8.708 -10.505 5.214 228 1HB LEU 31 1HB LEU 31 -8.453 -9.539 2.396 229 2HB LEU 31 2HB LEU 31 -9.009 -11.181 2.718 230 HG LEU 31 HG LEU 31 -10.874 -9.653 2.329 231 1HD1 LEU 31 1HD1 LEU 31 -12.221 -10.436 4.043 232 2HD1 LEU 31 2HD1 LEU 31 -10.937 -10.314 5.246 233 3HD1 LEU 31 3HD1 LEU 31 -10.891 -11.595 4.035 234 1HD2 LEU 31 1HD2 LEU 31 -9.475 -7.726 3.471 235 2HD2 LEU 31 2HD2 LEU 31 -10.367 -8.248 4.900 236 3HD2 LEU 31 3HD2 LEU 31 -11.239 -7.707 3.465 237 H ALA 32 H ALA 32 -5.727 -9.843 3.543 238 HA ALA 32 HA ALA 32 -5.029 -12.586 3.088 239 1HB ALA 32 1HB ALA 32 -3.512 -10.001 2.914 240 2HB ALA 32 2HB ALA 32 -2.724 -11.563 2.683 241 3HB ALA 32 3HB ALA 32 -4.032 -11.068 1.609 242 H LEU 33 H LEU 33 -4.410 -10.208 5.602 243 HA LEU 33 HA LEU 33 -2.355 -11.469 6.981 244 1HB LEU 33 1HB LEU 33 -4.512 -9.565 7.697 245 2HB LEU 33 2HB LEU 33 -3.670 -10.369 9.021 246 HG LEU 33 HG LEU 33 -2.860 -8.046 8.244 247 1HD1 LEU 33 1HD1 LEU 33 -0.827 -10.259 8.436 248 2HD1 LEU 33 2HD1 LEU 33 -1.701 -9.596 9.816 249 3HD1 LEU 33 3HD1 LEU 33 -0.618 -8.565 8.881 250 1HD2 LEU 33 1HD2 LEU 33 -2.767 -9.172 5.801 251 2HD2 LEU 33 2HD2 LEU 33 -1.106 -9.446 6.330 252 3HD2 LEU 33 3HD2 LEU 33 -1.761 -7.808 6.288 253 H GLN 34 H GLN 34 -5.849 -11.968 7.183 254 HA GLN 34 HA GLN 34 -5.830 -13.750 9.361 255 1HB GLN 34 1HB GLN 34 -7.807 -13.727 7.078 256 2HB GLN 34 2HB GLN 34 -8.073 -14.335 8.707 257 1HG GLN 34 1HG GLN 34 -7.452 -11.839 9.337 258 2HG GLN 34 2HG GLN 34 -8.037 -11.551 7.699 259 1HE2 GLN 34 1HE2 GLN 34 -9.455 -10.325 9.471 260 2HE2 GLN 34 2HE2 GLN 34 -10.944 -11.127 9.825 261 H GLN 35 H GLN 35 -6.062 -14.443 5.869 262 HA GLN 35 HA GLN 35 -5.919 -17.222 6.069 263 1HB GLN 35 1HB GLN 35 -5.271 -15.269 3.888 264 2HB GLN 35 2HB GLN 35 -4.918 -16.978 3.670 265 1HG GLN 35 1HG GLN 35 -7.296 -17.480 4.145 266 2HG GLN 35 2HG GLN 35 -7.609 -15.746 4.207 267 1HE2 GLN 35 1HE2 GLN 35 -6.356 -14.685 2.167 268 2HE2 GLN 35 2HE2 GLN 35 -6.860 -15.367 0.662 269 H TYR 36 H TYR 36 -3.302 -14.898 5.401 270 HA TYR 36 HA TYR 36 -1.363 -17.000 6.090 271 1HB TYR 36 1HB TYR 36 -0.709 -14.399 4.719 272 2HB TYR 36 2HB TYR 36 0.242 -15.879 4.761 273 HD1 TYR 36 HD1 TYR 36 -2.808 -14.326 3.355 274 HD2 TYR 36 HD2 TYR 36 -0.082 -17.587 3.148 275 HE1 TYR 36 HE1 TYR 36 -3.812 -15.022 1.220 276 HE2 TYR 36 HE2 TYR 36 -1.077 -18.290 1.012 277 HH TYR 36 HH TYR 36 -3.121 -16.335 -0.798 278 HA PRO 37 HA PRO 37 -1.276 -14.232 9.763 279 1HB PRO 37 1HB PRO 37 -0.768 -16.238 11.521 280 2HB PRO 37 2HB PRO 37 -2.400 -15.818 10.988 281 1HG PRO 37 1HG PRO 37 -0.604 -18.016 10.036 282 2HG PRO 37 2HG PRO 37 -2.342 -18.063 10.385 283 1HD PRO 37 1HD PRO 37 -1.366 -17.865 7.867 284 2HD PRO 37 2HD PRO 37 -2.902 -17.122 8.357 285 H ARG 38 H ARG 38 0.482 -14.682 11.724 286 HA ARG 38 HA ARG 38 3.014 -14.235 10.425 287 1HB ARG 38 1HB ARG 38 2.010 -14.077 13.242 288 2HB ARG 38 2HB ARG 38 3.742 -14.113 12.942 289 1HG ARG 38 1HG ARG 38 3.419 -11.869 12.946 290 2HG ARG 38 2HG ARG 38 3.117 -12.189 11.237 291 1HD ARG 38 1HD ARG 38 0.844 -12.328 13.160 292 2HD ARG 38 2HD ARG 38 1.445 -10.747 12.663 293 HE ARG 38 HE ARG 38 1.106 -11.999 10.309 294 1HH1 ARG 38 1HH1 ARG 38 -0.965 -11.615 13.080 295 2HH1 ARG 38 2HH1 ARG 38 -2.429 -11.654 12.155 296 1HH2 ARG 38 1HH2 ARG 38 -0.814 -12.051 9.079 297 2HH2 ARG 38 2HH2 ARG 38 -2.342 -11.903 9.879 298 H GLY 39 H GLY 39 4.958 -15.262 11.853 299 1HA GLY 39 1HA GLY 39 5.214 -17.573 13.029 300 2HA GLY 39 2HA GLY 39 4.618 -18.154 11.481 301 H SER 40 H SER 40 6.041 -16.035 10.002 302 HA SER 40 HA SER 40 8.810 -16.155 10.498 303 1HB SER 40 1HB SER 40 8.077 -18.593 9.739 304 2HB SER 40 2HB SER 40 8.187 -17.870 8.134 305 HG SER 40 HG SER 40 10.339 -17.110 9.414 306 H SER 41 H SER 41 10.089 -15.452 8.527 307 HA SER 41 HA SER 41 8.637 -13.294 7.257 308 1HB SER 41 1HB SER 41 11.535 -14.074 7.428 309 2HB SER 41 2HB SER 41 11.001 -12.863 6.263 310 HG SER 41 HG SER 41 11.672 -12.251 8.567 311 H ASP 42 H ASP 42 8.210 -16.176 6.524 312 HA ASP 42 HA ASP 42 8.913 -16.017 3.669 313 1HB ASP 42 1HB ASP 42 9.793 -17.990 4.925 314 2HB ASP 42 2HB ASP 42 8.131 -18.477 5.245 315 H CYS 43 H CYS 43 6.327 -16.219 5.960 316 HA CYS 43 HA CYS 43 4.290 -17.023 4.136 317 1HB CYS 43 1HB CYS 43 4.374 -16.994 6.790 318 2HB CYS 43 2HB CYS 43 3.635 -15.413 6.561 319 HG CYS 43 HG CYS 43 1.823 -17.094 4.657 320 H TRP 44 H TRP 44 5.276 -13.885 5.478 321 HA TRP 44 HA TRP 44 3.405 -12.201 4.466 322 1HB TRP 44 1HB TRP 44 6.399 -11.787 4.556 323 2HB TRP 44 2HB TRP 44 5.239 -10.499 4.244 324 HD1 TRP 44 HD1 TRP 44 6.776 -12.507 7.041 325 HE1 TRP 44 HE1 TRP 44 5.900 -11.638 9.300 326 HE3 TRP 44 HE3 TRP 44 3.062 -9.431 5.342 327 HZ2 TRP 44 HZ2 TRP 44 3.899 -9.882 10.238 328 HZ3 TRP 44 HZ3 TRP 44 1.713 -8.193 6.986 329 HH2 TRP 44 HH2 TRP 44 2.124 -8.415 9.382 330 H ASP 45 H ASP 45 6.065 -13.683 2.683 331 HA ASP 45 HA ASP 45 6.032 -12.328 0.315 332 1HB ASP 45 1HB ASP 45 6.510 -15.189 1.017 333 2HB ASP 45 2HB ASP 45 6.382 -14.762 -0.687 334 H LYS 46 H LYS 46 3.741 -14.790 1.389 335 HA LYS 46 HA LYS 46 2.289 -14.865 -1.070 336 1HB LYS 46 1HB LYS 46 1.776 -15.892 1.707 337 2HB LYS 46 2HB LYS 46 0.523 -15.969 0.475 338 1HG LYS 46 1HG LYS 46 1.688 -17.499 -0.805 339 2HG LYS 46 2HG LYS 46 3.242 -17.073 -0.084 340 1HD LYS 46 1HD LYS 46 2.899 -18.381 1.761 341 2HD LYS 46 2HD LYS 46 1.144 -18.207 1.691 342 1HE LYS 46 1HE LYS 46 1.351 -20.381 1.019 343 2HE LYS 46 2HE LYS 46 1.442 -19.571 -0.545 344 1HZ LYS 46 1HZ LYS 46 3.307 -20.762 -0.771 345 2HZ LYS 46 2HZ LYS 46 3.471 -21.045 0.888 346 3HZ LYS 46 3HZ LYS 46 4.013 -19.588 0.221 347 H ILE 47 H ILE 47 1.674 -13.377 2.102 348 HA ILE 47 HA ILE 47 -0.780 -12.255 1.711 349 HB ILE 47 HB ILE 47 1.573 -10.929 3.063 350 1HG1 ILE 47 1HG1 ILE 47 -0.652 -12.368 4.465 351 2HG1 ILE 47 2HG1 ILE 47 0.684 -13.288 3.781 352 1HG2 ILE 47 1HG2 ILE 47 -0.648 -9.631 2.401 353 2HG2 ILE 47 2HG2 ILE 47 -1.227 -10.397 3.879 354 3HG2 ILE 47 3HG2 ILE 47 0.188 -9.345 3.928 355 1HD1 ILE 47 1HD1 ILE 47 1.865 -12.880 5.599 356 2HD1 ILE 47 2HD1 ILE 47 1.798 -11.152 5.251 357 3HD1 ILE 47 3HD1 ILE 47 0.552 -11.900 6.251 358 H ALA 48 H ALA 48 2.319 -11.046 0.526 359 HA ALA 48 HA ALA 48 1.398 -8.586 -0.484 360 1HB ALA 48 1HB ALA 48 3.549 -9.706 -2.059 361 2HB ALA 48 2HB ALA 48 3.542 -8.295 -1.001 362 3HB ALA 48 3HB ALA 48 3.838 -9.899 -0.330 363 H ARG 49 H ARG 49 1.352 -11.833 -1.786 364 HA ARG 49 HA ARG 49 0.973 -11.382 -4.476 365 1HB ARG 49 1HB ARG 49 -0.487 -13.448 -2.819 366 2HB ARG 49 2HB ARG 49 -0.193 -13.515 -4.552 367 1HG ARG 49 1HG ARG 49 2.155 -13.281 -2.751 368 2HG ARG 49 2HG ARG 49 1.309 -14.828 -2.827 369 1HD ARG 49 1HD ARG 49 2.479 -13.308 -5.155 370 2HD ARG 49 2HD ARG 49 3.136 -14.774 -4.428 371 HE ARG 49 HE ARG 49 0.452 -15.128 -5.332 372 1HH1 ARG 49 1HH1 ARG 49 3.776 -15.031 -6.365 373 2HH1 ARG 49 2HH1 ARG 49 3.512 -16.042 -7.747 374 1HH2 ARG 49 1HH2 ARG 49 0.093 -16.460 -7.148 375 2HH2 ARG 49 2HH2 ARG 49 1.417 -16.854 -8.192 376 H CYS 50 H CYS 50 -1.558 -11.562 -1.973 377 HA CYS 50 HA CYS 50 -3.722 -10.981 -3.651 378 1HB CYS 50 1HB CYS 50 -3.621 -11.787 -1.151 379 2HB CYS 50 2HB CYS 50 -3.704 -10.064 -0.801 380 HG CYS 50 HG CYS 50 -6.276 -10.455 -0.573 381 H VAL 51 H VAL 51 -1.161 -9.018 -2.720 382 HA VAL 51 HA VAL 51 -2.707 -6.576 -3.305 383 HB VAL 51 HB VAL 51 -0.047 -6.523 -1.921 384 1HG1 VAL 51 1HG1 VAL 51 -2.344 -4.677 -1.437 385 2HG1 VAL 51 2HG1 VAL 51 -0.611 -4.371 -1.312 386 3HG1 VAL 51 3HG1 VAL 51 -1.372 -4.501 -2.898 387 1HG2 VAL 51 1HG2 VAL 51 -1.033 -6.735 0.218 388 2HG2 VAL 51 2HG2 VAL 51 -2.666 -6.684 -0.447 389 3HG2 VAL 51 3HG2 VAL 51 -1.642 -8.091 -0.732 390 HA PRO 52 HA PRO 52 0.029 -7.066 -6.939 391 1HB PRO 52 1HB PRO 52 -1.661 -5.789 -8.637 392 2HB PRO 52 2HB PRO 52 -1.820 -7.502 -8.232 393 1HG PRO 52 1HG PRO 52 -3.307 -5.149 -7.131 394 2HG PRO 52 2HG PRO 52 -3.926 -6.741 -7.608 395 1HD PRO 52 1HD PRO 52 -3.457 -6.074 -5.026 396 2HD PRO 52 2HD PRO 52 -3.262 -7.730 -5.635 397 H SER 53 H SER 53 -0.872 -4.556 -4.976 398 HA SER 53 HA SER 53 0.463 -2.524 -6.629 399 1HB SER 53 1HB SER 53 -1.623 -1.658 -5.984 400 2HB SER 53 2HB SER 53 -1.508 -2.342 -4.362 401 HG SER 53 HG SER 53 0.493 -0.562 -5.010 402 H LYS 54 H LYS 54 0.315 -3.718 -3.280 403 HA LYS 54 HA LYS 54 2.946 -2.531 -2.771 404 1HB LYS 54 1HB LYS 54 1.243 -3.896 -0.706 405 2HB LYS 54 2HB LYS 54 2.472 -2.659 -0.476 406 1HG LYS 54 1HG LYS 54 -0.107 -2.134 -1.923 407 2HG LYS 54 2HG LYS 54 0.074 -1.934 -0.179 408 1HD LYS 54 1HD LYS 54 1.536 -0.153 -0.404 409 2HD LYS 54 2HD LYS 54 2.009 -0.617 -2.041 410 1HE LYS 54 1HE LYS 54 -0.560 -0.136 -2.505 411 2HE LYS 54 2HE LYS 54 -0.362 0.906 -1.097 412 1HZ LYS 54 1HZ LYS 54 0.992 2.313 -2.212 413 2HZ LYS 54 2HZ LYS 54 0.131 1.731 -3.546 414 3HZ LYS 54 3HZ LYS 54 1.661 1.104 -3.189 415 H SER 55 H SER 55 4.709 -3.733 -2.140 416 HA SER 55 HA SER 55 4.642 -6.530 -2.905 417 1HB SER 55 1HB SER 55 6.790 -4.527 -2.338 418 2HB SER 55 2HB SER 55 7.182 -6.243 -2.226 419 HG SER 55 HG SER 55 7.344 -6.185 -4.310 420 H LYS 56 H LYS 56 6.040 -8.039 -1.487 421 HA LYS 56 HA LYS 56 4.725 -8.573 0.874 422 1HB LYS 56 1HB LYS 56 6.070 -10.269 -0.146 423 2HB LYS 56 2HB LYS 56 7.525 -9.292 0.006 424 1HG LYS 56 1HG LYS 56 6.001 -10.177 2.426 425 2HG LYS 56 2HG LYS 56 7.174 -11.237 1.641 426 1HD LYS 56 1HD LYS 56 8.686 -9.064 1.813 427 2HD LYS 56 2HD LYS 56 7.597 -8.715 3.157 428 1HE LYS 56 1HE LYS 56 8.129 -10.895 4.142 429 2HE LYS 56 2HE LYS 56 9.222 -11.233 2.801 430 1HZ LYS 56 1HZ LYS 56 9.648 -9.633 5.145 431 2HZ LYS 56 2HZ LYS 56 10.084 -8.834 3.720 432 3HZ LYS 56 3HZ LYS 56 10.776 -10.331 4.095 433 H GLU 57 H GLU 57 7.940 -7.054 0.564 434 HA GLU 57 HA GLU 57 8.451 -6.526 3.208 435 1HB GLU 57 1HB GLU 57 9.164 -5.069 0.687 436 2HB GLU 57 2HB GLU 57 9.625 -4.401 2.247 437 1HG GLU 57 1HG GLU 57 10.897 -6.377 2.770 438 2HG GLU 57 2HG GLU 57 10.355 -7.156 1.285 439 H ASP 58 H ASP 58 6.589 -4.533 0.940 440 HA ASP 58 HA ASP 58 6.059 -2.403 2.687 441 1HB ASP 58 1HB ASP 58 4.298 -3.404 0.440 442 2HB ASP 58 2HB ASP 58 4.283 -1.790 1.146 443 H CYS 59 H CYS 59 4.256 -5.382 2.036 444 HA CYS 59 HA CYS 59 1.962 -4.910 3.484 445 1HB CYS 59 1HB CYS 59 3.531 -7.440 3.026 446 2HB CYS 59 2HB CYS 59 2.014 -7.442 3.917 447 HG CYS 59 HG CYS 59 1.636 -5.837 1.062 448 H ILE 60 H ILE 60 5.049 -6.200 4.678 449 HA ILE 60 HA ILE 60 4.251 -6.567 7.347 450 HB ILE 60 HB ILE 60 7.009 -5.969 6.270 451 1HG1 ILE 60 1HG1 ILE 60 5.990 -8.669 7.095 452 2HG1 ILE 60 2HG1 ILE 60 5.645 -8.050 5.484 453 1HG2 ILE 60 1HG2 ILE 60 7.901 -6.374 8.313 454 2HG2 ILE 60 2HG2 ILE 60 6.337 -5.758 8.845 455 3HG2 ILE 60 3HG2 ILE 60 6.621 -7.497 8.772 456 1HD1 ILE 60 1HD1 ILE 60 7.552 -9.237 5.092 457 2HD1 ILE 60 2HD1 ILE 60 8.232 -7.645 5.432 458 3HD1 ILE 60 3HD1 ILE 60 8.229 -8.889 6.683 459 H ALA 61 H ALA 61 6.253 -3.938 5.993 460 HA ALA 61 HA ALA 61 6.461 -2.307 8.164 461 1HB ALA 61 1HB ALA 61 6.419 -0.387 6.479 462 2HB ALA 61 2HB ALA 61 7.622 -1.655 6.238 463 3HB ALA 61 3HB ALA 61 6.157 -1.630 5.256 464 H ARG 62 H ARG 62 3.680 -2.634 6.019 465 HA ARG 62 HA ARG 62 2.195 -0.489 7.165 466 1HB ARG 62 1HB ARG 62 1.920 -1.747 4.868 467 2HB ARG 62 2HB ARG 62 0.865 -2.796 5.804 468 1HG ARG 62 1HG ARG 62 -0.401 -1.060 4.675 469 2HG ARG 62 2HG ARG 62 -0.505 -0.878 6.427 470 1HD ARG 62 1HD ARG 62 -0.138 1.246 5.107 471 2HD ARG 62 2HD ARG 62 0.996 0.945 6.424 472 HE ARG 62 HE ARG 62 1.991 -0.075 3.970 473 1HH1 ARG 62 1HH1 ARG 62 1.508 2.883 5.742 474 2HH1 ARG 62 2HH1 ARG 62 2.816 3.713 4.967 475 1HH2 ARG 62 1HH2 ARG 62 3.715 1.008 2.942 476 2HH2 ARG 62 2HH2 ARG 62 4.070 2.647 3.373 477 H TYR 63 H TYR 63 2.447 -3.933 7.796 478 HA TYR 63 HA TYR 63 0.207 -4.308 9.399 479 1HB TYR 63 1HB TYR 63 1.501 -6.202 8.693 480 2HB TYR 63 2HB TYR 63 2.936 -5.600 9.514 481 HD1 TYR 63 HD1 TYR 63 -0.461 -6.970 10.077 482 HD2 TYR 63 HD2 TYR 63 3.340 -6.108 11.784 483 HE1 TYR 63 HE1 TYR 63 -1.077 -8.255 12.082 484 HE2 TYR 63 HE2 TYR 63 2.735 -7.391 13.794 485 HH TYR 63 HH TYR 63 0.746 -9.527 14.084 486 H LYS 64 H LYS 64 3.415 -3.087 10.236 487 HA LYS 64 HA LYS 64 3.312 -3.040 12.972 488 1HB LYS 64 1HB LYS 64 4.477 -1.072 11.015 489 2HB LYS 64 2HB LYS 64 4.655 -0.857 12.751 490 1HG LYS 64 1HG LYS 64 6.538 -2.030 12.466 491 2HG LYS 64 2HG LYS 64 5.459 -3.427 12.472 492 1HD LYS 64 1HD LYS 64 5.279 -3.109 9.957 493 2HD LYS 64 2HD LYS 64 6.635 -1.988 10.104 494 1HE LYS 64 1HE LYS 64 7.415 -4.211 9.497 495 2HE LYS 64 2HE LYS 64 7.991 -3.765 11.103 496 1HZ LYS 64 1HZ LYS 64 6.471 -5.199 12.118 497 2HZ LYS 64 2HZ LYS 64 7.072 -6.091 10.813 498 3HZ LYS 64 3HZ LYS 64 5.541 -5.377 10.716 499 H LEU 65 H LEU 65 1.699 -0.880 10.716 500 HA LEU 65 HA LEU 65 0.742 0.886 12.778 501 1HB LEU 65 1HB LEU 65 -0.087 0.625 9.892 502 2HB LEU 65 2HB LEU 65 -0.542 1.936 10.978 503 HG LEU 65 HG LEU 65 2.108 2.181 11.141 504 1HD1 LEU 65 1HD1 LEU 65 1.595 0.906 8.464 505 2HD1 LEU 65 2HD1 LEU 65 2.720 0.381 9.717 506 3HD1 LEU 65 3HD1 LEU 65 3.024 1.874 8.827 507 1HD2 LEU 65 1HD2 LEU 65 1.923 4.025 9.703 508 2HD2 LEU 65 2HD2 LEU 65 0.308 3.815 10.378 509 3HD2 LEU 65 3HD2 LEU 65 0.659 3.259 8.741 510 H LEU 66 H LEU 66 -0.482 -1.869 10.986 511 HA LEU 66 HA LEU 66 -3.197 -1.624 11.717 512 1HB LEU 66 1HB LEU 66 -1.465 -3.827 10.706 513 2HB LEU 66 2HB LEU 66 -3.063 -4.223 11.334 514 HG LEU 66 HG LEU 66 -3.763 -2.292 9.630 515 1HD1 LEU 66 1HD1 LEU 66 -1.314 -3.524 8.375 516 2HD1 LEU 66 2HD1 LEU 66 -1.458 -1.854 8.923 517 3HD1 LEU 66 3HD1 LEU 66 -2.455 -2.433 7.589 518 1HD2 LEU 66 1HD2 LEU 66 -4.766 -4.432 9.555 519 2HD2 LEU 66 2HD2 LEU 66 -3.257 -5.205 9.068 520 3HD2 LEU 66 3HD2 LEU 66 -4.107 -4.143 7.945 521 H VAL 67 H VAL 67 -0.406 -2.893 13.362 522 HA VAL 67 HA VAL 67 -1.991 -4.194 15.418 523 HB VAL 67 HB VAL 67 0.214 -4.678 16.473 524 1HG1 VAL 67 1HG1 VAL 67 0.603 -5.584 13.699 525 2HG1 VAL 67 2HG1 VAL 67 0.470 -6.516 15.192 526 3HG1 VAL 67 3HG1 VAL 67 -0.984 -5.914 14.394 527 1HG2 VAL 67 1HG2 VAL 67 1.366 -3.428 13.983 528 2HG2 VAL 67 2HG2 VAL 67 1.379 -2.678 15.579 529 3HG2 VAL 67 3HG2 VAL 67 2.261 -4.180 15.303 530 H SER 68 H SER 68 -0.098 -1.269 14.977 531 HA SER 68 HA SER 68 0.128 -0.427 17.618 532 1HB SER 68 1HB SER 68 1.318 0.717 15.849 533 2HB SER 68 2HB SER 68 -0.197 1.210 15.092 534 HG SER 68 HG SER 68 -0.626 2.457 16.968 535 H GLY 69 H GLY 69 -2.518 0.043 15.309 536 1HA GLY 69 1HA GLY 69 -4.367 0.407 17.515 537 2HA GLY 69 2HA GLY 69 -4.169 1.809 16.474 538 HA PRO 70 HA PRO 70 -6.202 -1.788 13.901 539 1HB PRO 70 1HB PRO 70 -7.479 -3.653 15.405 540 2HB PRO 70 2HB PRO 70 -5.796 -3.820 14.893 541 1HG PRO 70 1HG PRO 70 -6.892 -2.905 17.523 542 2HG PRO 70 2HG PRO 70 -5.538 -4.001 17.197 543 1HD PRO 70 1HD PRO 70 -5.180 -1.398 17.851 544 2HD PRO 70 2HD PRO 70 -4.076 -2.271 16.768 545 H SER 71 H SER 71 -7.311 0.001 16.536 546 HA SER 71 HA SER 71 -10.063 -0.379 16.522 547 1HB SER 71 1HB SER 71 -10.239 1.798 17.546 548 2HB SER 71 2HB SER 71 -8.774 1.028 18.153 549 HG SER 71 HG SER 71 -8.155 3.045 17.586 550 H SER 72 H SER 72 -8.106 1.846 14.563 551 HA SER 72 HA SER 72 -10.446 2.597 13.003 552 1HB SER 72 1HB SER 72 -7.570 3.507 12.742 553 2HB SER 72 2HB SER 72 -8.960 4.210 11.915 554 HG SER 72 HG SER 72 -9.732 4.400 14.276 555 H GLY 73 H GLY 73 -10.842 1.997 10.929 556 1HA GLY 73 1HA GLY 73 -9.029 0.996 9.075 557 2HA GLY 73 2HA GLY 73 -9.648 -0.389 9.962 Start of MODEL 14 1 1H GLY 1 1H GLY 1 1.245 24.415 -29.523 2 1HA GLY 1 1HA GLY 1 -0.237 26.946 -29.153 3 2HA GLY 1 2HA GLY 1 -1.030 25.394 -29.383 4 H SER 2 H SER 2 -0.354 27.628 -27.130 5 HA SER 2 HA SER 2 0.633 26.202 -24.932 6 1HB SER 2 1HB SER 2 -1.243 28.577 -25.013 7 2HB SER 2 2HB SER 2 -0.436 27.989 -23.559 8 HG SER 2 HG SER 2 1.034 29.371 -24.208 9 H SER 3 H SER 3 -0.203 24.560 -23.847 10 HA SER 3 HA SER 3 -2.990 23.843 -24.208 11 1HB SER 3 1HB SER 3 -1.097 22.164 -24.263 12 2HB SER 3 2HB SER 3 -0.924 22.414 -22.526 13 HG SER 3 HG SER 3 -3.459 21.811 -23.542 14 H GLY 4 H GLY 4 -0.822 24.455 -21.442 15 1HA GLY 4 1HA GLY 4 -1.985 26.144 -19.868 16 2HA GLY 4 2HA GLY 4 -3.200 24.878 -19.762 17 H SER 5 H SER 5 -0.882 26.190 -18.027 18 HA SER 5 HA SER 5 0.794 24.081 -17.228 19 1HB SER 5 1HB SER 5 0.835 26.680 -16.704 20 2HB SER 5 2HB SER 5 -0.020 26.167 -15.250 21 HG SER 5 HG SER 5 2.555 26.109 -15.650 22 H SER 6 H SER 6 -0.172 22.178 -16.734 23 HA SER 6 HA SER 6 -2.547 22.004 -15.147 24 1HB SER 6 1HB SER 6 -0.575 19.902 -16.067 25 2HB SER 6 2HB SER 6 -2.061 19.538 -15.191 26 HG SER 6 HG SER 6 -2.961 20.962 -17.051 27 H GLY 7 H GLY 7 0.824 20.975 -14.565 28 1HA GLY 7 1HA GLY 7 2.018 21.337 -12.561 29 2HA GLY 7 2HA GLY 7 0.501 21.687 -11.747 30 H SER 8 H SER 8 2.517 19.105 -13.045 31 HA SER 8 HA SER 8 1.009 17.161 -11.437 32 1HB SER 8 1HB SER 8 1.419 16.810 -13.955 33 2HB SER 8 2HB SER 8 3.089 16.465 -13.504 34 HG SER 8 HG SER 8 2.468 14.563 -12.890 35 H LEU 9 H LEU 9 2.468 15.313 -10.608 36 HA LEU 9 HA LEU 9 4.293 16.439 -8.748 37 1HB LEU 9 1HB LEU 9 3.320 13.720 -9.421 38 2HB LEU 9 2HB LEU 9 4.833 13.841 -8.525 39 HG LEU 9 HG LEU 9 2.890 13.482 -7.063 40 1HD1 LEU 9 1HD1 LEU 9 4.322 14.489 -5.680 41 2HD1 LEU 9 2HD1 LEU 9 3.318 15.923 -5.889 42 3HD1 LEU 9 3HD1 LEU 9 4.763 15.707 -6.877 43 1HD2 LEU 9 1HD2 LEU 9 1.020 14.466 -7.885 44 2HD2 LEU 9 2HD2 LEU 9 1.898 15.851 -8.534 45 3HD2 LEU 9 3HD2 LEU 9 1.535 15.766 -6.810 46 H ARG 10 H ARG 10 6.508 15.236 -8.456 47 HA ARG 10 HA ARG 10 7.946 15.584 -10.987 48 1HB ARG 10 1HB ARG 10 8.693 15.852 -8.106 49 2HB ARG 10 2HB ARG 10 9.951 15.474 -9.275 50 1HG ARG 10 1HG ARG 10 9.808 17.514 -10.301 51 2HG ARG 10 2HG ARG 10 8.123 17.753 -9.833 52 1HD ARG 10 1HD ARG 10 9.114 19.219 -8.399 53 2HD ARG 10 2HD ARG 10 9.183 17.762 -7.408 54 HE ARG 10 HE ARG 10 11.514 17.982 -8.992 55 1HH1 ARG 10 1HH1 ARG 10 9.966 19.368 -6.198 56 2HH1 ARG 10 2HH1 ARG 10 11.454 19.845 -5.449 57 1HH2 ARG 10 1HH2 ARG 10 13.479 18.605 -8.015 58 2HH2 ARG 10 2HH2 ARG 10 13.451 19.411 -6.484 59 H LYS 11 H LYS 11 9.099 13.982 -11.923 60 HA LYS 11 HA LYS 11 8.582 11.289 -11.123 61 1HB LYS 11 1HB LYS 11 10.036 12.623 -13.354 62 2HB LYS 11 2HB LYS 11 10.433 10.944 -13.008 63 1HG LYS 11 1HG LYS 11 7.940 10.483 -13.154 64 2HG LYS 11 2HG LYS 11 7.794 12.099 -13.850 65 1HD LYS 11 1HD LYS 11 9.803 10.209 -14.986 66 2HD LYS 11 2HD LYS 11 8.098 9.988 -15.388 67 1HE LYS 11 1HE LYS 11 8.241 12.581 -15.866 68 2HE LYS 11 2HE LYS 11 9.951 12.212 -16.086 69 1HZ LYS 11 1HZ LYS 11 9.551 11.208 -18.020 70 2HZ LYS 11 2HZ LYS 11 8.039 11.966 -17.983 71 3HZ LYS 11 3HZ LYS 11 8.201 10.374 -17.434 72 H GLU 12 H GLU 12 9.492 11.096 -9.049 73 HA GLU 12 HA GLU 12 12.254 10.314 -9.055 74 1HB GLU 12 1HB GLU 12 12.653 12.648 -8.723 75 2HB GLU 12 2HB GLU 12 11.378 12.757 -7.517 76 1HG GLU 12 1HG GLU 12 13.221 12.729 -6.178 77 2HG GLU 12 2HG GLU 12 12.846 11.008 -6.244 78 H ARG 13 H ARG 13 12.141 8.442 -8.021 79 HA ARG 13 HA ARG 13 10.097 7.532 -6.414 80 1HB ARG 13 1HB ARG 13 11.743 6.025 -7.355 81 2HB ARG 13 2HB ARG 13 13.015 6.749 -6.380 82 1HG ARG 13 1HG ARG 13 11.620 6.002 -4.362 83 2HG ARG 13 2HG ARG 13 10.767 4.973 -5.514 84 1HD ARG 13 1HD ARG 13 13.760 4.956 -5.315 85 2HD ARG 13 2HD ARG 13 12.764 3.980 -4.237 86 HE ARG 13 HE ARG 13 11.843 3.341 -6.706 87 1HH1 ARG 13 1HH1 ARG 13 15.002 3.381 -5.243 88 2HH1 ARG 13 2HH1 ARG 13 15.611 2.081 -6.214 89 1HH2 ARG 13 1HH2 ARG 13 12.633 1.629 -7.990 90 2HH2 ARG 13 2HH2 ARG 13 14.263 1.086 -7.776 91 H ALA 14 H ALA 14 13.108 9.123 -5.429 92 HA ALA 14 HA ALA 14 13.112 8.907 -2.740 93 1HB ALA 14 1HB ALA 14 13.557 11.649 -3.180 94 2HB ALA 14 2HB ALA 14 14.757 10.363 -3.045 95 3HB ALA 14 3HB ALA 14 14.116 10.808 -4.627 96 H ARG 15 H ARG 15 11.356 11.530 -4.413 97 HA ARG 15 HA ARG 15 10.056 12.615 -2.248 98 1HB ARG 15 1HB ARG 15 9.448 12.445 -5.156 99 2HB ARG 15 2HB ARG 15 8.158 12.983 -4.088 100 1HG ARG 15 1HG ARG 15 9.242 14.927 -4.859 101 2HG ARG 15 2HG ARG 15 9.771 14.696 -3.191 102 1HD ARG 15 1HD ARG 15 11.366 13.607 -5.482 103 2HD ARG 15 2HD ARG 15 11.528 15.292 -4.988 104 HE ARG 15 HE ARG 15 11.819 13.347 -2.866 105 1HH1 ARG 15 1HH1 ARG 15 13.407 15.283 -5.285 106 2HH1 ARG 15 2HH1 ARG 15 14.951 15.231 -4.500 107 1HH2 ARG 15 1HH2 ARG 15 13.847 13.271 -1.823 108 2HH2 ARG 15 2HH2 ARG 15 15.200 14.086 -2.532 109 H SER 16 H SER 16 8.947 9.937 -4.303 110 HA SER 16 HA SER 16 6.619 9.496 -2.644 111 1HB SER 16 1HB SER 16 6.077 7.714 -4.205 112 2HB SER 16 2HB SER 16 6.558 9.149 -5.109 113 HG SER 16 HG SER 16 8.766 8.015 -4.924 114 H ALA 17 H ALA 17 8.761 9.312 -1.023 115 HA ALA 17 HA ALA 17 10.005 6.834 -0.744 116 1HB ALA 17 1HB ALA 17 10.956 7.789 1.029 117 2HB ALA 17 2HB ALA 17 10.012 9.227 0.638 118 3HB ALA 17 3HB ALA 17 9.399 8.063 1.813 119 H GLU 18 H GLU 18 6.996 8.018 0.744 120 HA GLU 18 HA GLU 18 6.226 5.212 1.190 121 1HB GLU 18 1HB GLU 18 6.134 7.522 3.093 122 2HB GLU 18 2HB GLU 18 4.929 6.248 3.220 123 1HG GLU 18 1HG GLU 18 7.806 5.500 3.100 124 2HG GLU 18 2HG GLU 18 7.150 6.154 4.599 125 H GLU 19 H GLU 19 4.686 4.881 -0.290 126 HA GLU 19 HA GLU 19 2.792 6.984 -0.953 127 1HB GLU 19 1HB GLU 19 3.235 4.209 -2.055 128 2HB GLU 19 2HB GLU 19 1.937 5.264 -2.596 129 1HG GLU 19 1HG GLU 19 4.721 6.303 -2.639 130 2HG GLU 19 2HG GLU 19 4.229 5.141 -3.870 131 HA PRO 20 HA PRO 20 -0.497 5.606 1.607 132 1HB PRO 20 1HB PRO 20 -2.643 6.255 0.077 133 2HB PRO 20 2HB PRO 20 -1.653 7.463 0.906 134 1HG PRO 20 1HG PRO 20 -1.576 6.591 -1.957 135 2HG PRO 20 2HG PRO 20 -1.479 8.229 -1.283 136 1HD PRO 20 1HD PRO 20 0.708 6.859 -2.104 137 2HD PRO 20 2HD PRO 20 0.755 8.016 -0.758 138 H TRP 21 H TRP 21 -2.638 4.323 1.450 139 HA TRP 21 HA TRP 21 -2.264 2.056 -0.396 140 1HB TRP 21 1HB TRP 21 -2.962 2.076 2.530 141 2HB TRP 21 2HB TRP 21 -3.394 0.713 1.501 142 HD1 TRP 21 HD1 TRP 21 -0.117 2.736 2.086 143 HE1 TRP 21 HE1 TRP 21 1.815 1.049 2.296 144 HE3 TRP 21 HE3 TRP 21 -2.754 -1.599 1.467 145 HZ2 TRP 21 HZ2 TRP 21 2.174 -1.750 2.210 146 HZ3 TRP 21 HZ3 TRP 21 -1.542 -3.739 1.543 147 HH2 TRP 21 HH2 TRP 21 0.872 -3.810 1.907 148 H THR 22 H THR 22 -3.827 2.155 -1.870 149 HA THR 22 HA THR 22 -6.187 3.554 -1.774 150 HB THR 22 HB THR 22 -6.820 2.497 -3.724 151 HG1 THR 22 HG1 THR 22 -5.414 0.111 -3.214 152 1HG2 THR 22 1HG2 THR 22 -4.211 3.124 -3.529 153 2HG2 THR 22 2HG2 THR 22 -4.955 2.533 -5.015 154 3HG2 THR 22 3HG2 THR 22 -4.077 1.421 -3.964 155 H GLN 23 H GLN 23 -8.427 2.363 -2.035 156 HA GLN 23 HA GLN 23 -9.050 1.306 0.538 157 1HB GLN 23 1HB GLN 23 -11.351 0.979 -0.535 158 2HB GLN 23 2HB GLN 23 -10.739 2.624 -0.424 159 1HG GLN 23 1HG GLN 23 -10.448 2.820 -2.677 160 2HG GLN 23 2HG GLN 23 -10.198 1.090 -2.907 161 1HE2 GLN 23 1HE2 GLN 23 -11.911 -0.208 -3.340 162 2HE2 GLN 23 2HE2 GLN 23 -13.522 0.369 -3.575 163 H ASN 24 H ASN 24 -8.702 -0.069 -2.687 164 HA ASN 24 HA ASN 24 -9.644 -2.664 -1.980 165 1HB ASN 24 1HB ASN 24 -9.409 -1.547 -4.332 166 2HB ASN 24 2HB ASN 24 -7.766 -2.179 -4.268 167 1HD2 ASN 24 1HD2 ASN 24 -9.833 -2.902 -6.105 168 2HD2 ASN 24 2HD2 ASN 24 -10.138 -4.589 -5.889 169 H GLN 25 H GLN 25 -6.455 -1.164 -2.206 170 HA GLN 25 HA GLN 25 -4.948 -3.510 -1.761 171 1HB GLN 25 1HB GLN 25 -4.412 -0.581 -1.618 172 2HB GLN 25 2HB GLN 25 -3.256 -1.672 -0.865 173 1HG GLN 25 1HG GLN 25 -2.657 -1.060 -3.172 174 2HG GLN 25 2HG GLN 25 -2.872 -2.795 -2.948 175 1HE2 GLN 25 1HE2 GLN 25 -3.525 -0.271 -4.937 176 2HE2 GLN 25 2HE2 GLN 25 -4.894 -0.907 -5.777 177 H GLN 26 H GLN 26 -5.702 -0.841 0.485 178 HA GLN 26 HA GLN 26 -4.670 -1.938 2.791 179 1HB GLN 26 1HB GLN 26 -5.544 0.367 2.595 180 2HB GLN 26 2HB GLN 26 -7.182 -0.271 2.570 181 1HG GLN 26 1HG GLN 26 -6.605 0.585 4.765 182 2HG GLN 26 2HG GLN 26 -6.891 -1.153 4.816 183 1HE2 GLN 26 1HE2 GLN 26 -4.960 -2.536 4.729 184 2HE2 GLN 26 2HE2 GLN 26 -3.524 -1.990 5.518 185 H LYS 27 H LYS 27 -7.489 -2.867 1.040 186 HA LYS 27 HA LYS 27 -8.624 -4.365 3.253 187 1HB LYS 27 1HB LYS 27 -10.375 -3.599 1.999 188 2HB LYS 27 2HB LYS 27 -9.465 -3.655 0.496 189 1HG LYS 27 1HG LYS 27 -9.676 -6.134 0.537 190 2HG LYS 27 2HG LYS 27 -10.737 -5.969 1.938 191 1HD LYS 27 1HD LYS 27 -11.374 -4.367 -0.482 192 2HD LYS 27 2HD LYS 27 -11.682 -6.104 -0.540 193 1HE LYS 27 1HE LYS 27 -12.655 -4.378 1.719 194 2HE LYS 27 2HE LYS 27 -13.589 -4.598 0.240 195 1HZ LYS 27 1HZ LYS 27 -12.632 -7.037 1.478 196 2HZ LYS 27 2HZ LYS 27 -14.140 -6.687 0.798 197 3HZ LYS 27 3HZ LYS 27 -13.786 -6.184 2.374 198 H LEU 28 H LEU 28 -7.218 -5.066 0.061 199 HA LEU 28 HA LEU 28 -7.367 -7.827 0.111 200 1HB LEU 28 1HB LEU 28 -5.339 -5.969 -1.097 201 2HB LEU 28 2HB LEU 28 -5.264 -7.715 -1.324 202 HG LEU 28 HG LEU 28 -7.596 -5.990 -2.151 203 1HD1 LEU 28 1HD1 LEU 28 -6.011 -7.205 -4.261 204 2HD1 LEU 28 2HD1 LEU 28 -5.100 -6.028 -3.316 205 3HD1 LEU 28 3HD1 LEU 28 -6.608 -5.553 -4.098 206 1HD2 LEU 28 1HD2 LEU 28 -8.286 -7.957 -3.406 207 2HD2 LEU 28 2HD2 LEU 28 -8.154 -8.331 -1.687 208 3HD2 LEU 28 3HD2 LEU 28 -6.890 -8.850 -2.803 209 H LEU 29 H LEU 29 -4.937 -5.701 1.541 210 HA LEU 29 HA LEU 29 -3.124 -7.700 2.338 211 1HB LEU 29 1HB LEU 29 -2.431 -5.417 2.297 212 2HB LEU 29 2HB LEU 29 -3.696 -4.955 3.434 213 HG LEU 29 HG LEU 29 -2.507 -6.386 5.145 214 1HD1 LEU 29 1HD1 LEU 29 -1.100 -7.799 3.984 215 2HD1 LEU 29 2HD1 LEU 29 0.014 -6.555 4.549 216 3HD1 LEU 29 3HD1 LEU 29 -0.561 -6.531 2.882 217 1HD2 LEU 29 1HD2 LEU 29 -2.375 -3.877 4.938 218 2HD2 LEU 29 2HD2 LEU 29 -0.849 -4.109 4.084 219 3HD2 LEU 29 3HD2 LEU 29 -1.016 -4.649 5.755 220 H GLU 30 H GLU 30 -5.569 -5.970 4.281 221 HA GLU 30 HA GLU 30 -5.295 -7.380 6.637 222 1HB GLU 30 1HB GLU 30 -7.779 -6.187 5.400 223 2HB GLU 30 2HB GLU 30 -7.702 -6.786 7.051 224 1HG GLU 30 1HG GLU 30 -6.089 -5.132 7.650 225 2HG GLU 30 2HG GLU 30 -5.920 -4.618 5.973 226 H LEU 31 H LEU 31 -7.596 -8.071 4.002 227 HA LEU 31 HA LEU 31 -8.783 -10.334 5.013 228 1HB LEU 31 1HB LEU 31 -8.162 -9.402 2.253 229 2HB LEU 31 2HB LEU 31 -8.787 -11.034 2.475 230 HG LEU 31 HG LEU 31 -10.488 -9.271 1.897 231 1HD1 LEU 31 1HD1 LEU 31 -11.712 -10.962 2.681 232 2HD1 LEU 31 2HD1 LEU 31 -11.815 -10.035 4.177 233 3HD1 LEU 31 3HD1 LEU 31 -10.584 -11.285 3.998 234 1HD2 LEU 31 1HD2 LEU 31 -9.654 -8.299 4.610 235 2HD2 LEU 31 2HD2 LEU 31 -11.270 -7.984 3.974 236 3HD2 LEU 31 3HD2 LEU 31 -9.851 -7.384 3.115 237 H ALA 32 H ALA 32 -5.696 -10.065 3.317 238 HA ALA 32 HA ALA 32 -5.187 -12.854 3.177 239 1HB ALA 32 1HB ALA 32 -2.726 -11.483 3.215 240 2HB ALA 32 2HB ALA 32 -3.611 -12.093 1.816 241 3HB ALA 32 3HB ALA 32 -3.879 -10.443 2.379 242 H LEU 33 H LEU 33 -3.846 -10.328 5.312 243 HA LEU 33 HA LEU 33 -2.206 -11.706 6.931 244 1HB LEU 33 1HB LEU 33 -4.129 -9.509 7.438 245 2HB LEU 33 2HB LEU 33 -3.408 -10.290 8.844 246 HG LEU 33 HG LEU 33 -2.289 -8.175 7.989 247 1HD1 LEU 33 1HD1 LEU 33 0.035 -9.351 8.130 248 2HD1 LEU 33 2HD1 LEU 33 -0.927 -10.772 8.536 249 3HD1 LEU 33 3HD1 LEU 33 -1.032 -9.322 9.535 250 1HD2 LEU 33 1HD2 LEU 33 -2.282 -8.449 5.658 251 2HD2 LEU 33 2HD2 LEU 33 -1.618 -10.080 5.765 252 3HD2 LEU 33 3HD2 LEU 33 -0.604 -8.688 6.149 253 H GLN 34 H GLN 34 -5.646 -12.110 6.738 254 HA GLN 34 HA GLN 34 -5.886 -13.603 9.182 255 1HB GLN 34 1HB GLN 34 -7.829 -13.507 6.872 256 2HB GLN 34 2HB GLN 34 -8.174 -13.971 8.533 257 1HG GLN 34 1HG GLN 34 -7.283 -11.523 9.007 258 2HG GLN 34 2HG GLN 34 -7.819 -11.281 7.345 259 1HE2 GLN 34 1HE2 GLN 34 -9.957 -11.167 6.904 260 2HE2 GLN 34 2HE2 GLN 34 -11.199 -11.240 8.103 261 H GLN 35 H GLN 35 -5.851 -14.401 5.721 262 HA GLN 35 HA GLN 35 -6.049 -17.215 6.152 263 1HB GLN 35 1HB GLN 35 -5.379 -15.506 3.772 264 2HB GLN 35 2HB GLN 35 -5.250 -17.259 3.696 265 1HG GLN 35 1HG GLN 35 -7.597 -17.489 4.220 266 2HG GLN 35 2HG GLN 35 -7.750 -15.744 4.414 267 1HE2 GLN 35 1HE2 GLN 35 -6.633 -14.625 2.353 268 2HE2 GLN 35 2HE2 GLN 35 -7.297 -15.170 0.854 269 H TYR 36 H TYR 36 -3.373 -15.020 5.375 270 HA TYR 36 HA TYR 36 -1.488 -17.215 5.890 271 1HB TYR 36 1HB TYR 36 -0.698 -14.570 4.712 272 2HB TYR 36 2HB TYR 36 0.074 -16.141 4.526 273 HD1 TYR 36 HD1 TYR 36 -3.019 -14.269 3.634 274 HD2 TYR 36 HD2 TYR 36 -0.366 -17.443 2.641 275 HE1 TYR 36 HE1 TYR 36 -4.217 -14.597 1.511 276 HE2 TYR 36 HE2 TYR 36 -1.555 -17.779 0.514 277 HH TYR 36 HH TYR 36 -4.572 -16.415 -0.140 278 HA PRO 37 HA PRO 37 -1.079 -14.886 9.776 279 1HB PRO 37 1HB PRO 37 -0.087 -16.994 11.170 280 2HB PRO 37 2HB PRO 37 -1.817 -16.752 10.895 281 1HG PRO 37 1HG PRO 37 0.101 -18.538 9.447 282 2HG PRO 37 2HG PRO 37 -1.555 -18.877 9.986 283 1HD PRO 37 1HD PRO 37 -0.959 -18.239 7.423 284 2HD PRO 37 2HD PRO 37 -2.498 -17.789 8.186 285 H ARG 38 H ARG 38 0.958 -15.250 11.431 286 HA ARG 38 HA ARG 38 3.265 -14.505 9.817 287 1HB ARG 38 1HB ARG 38 2.859 -14.413 12.813 288 2HB ARG 38 2HB ARG 38 4.243 -13.759 11.946 289 1HG ARG 38 1HG ARG 38 2.908 -12.091 10.906 290 2HG ARG 38 2HG ARG 38 1.418 -12.841 11.484 291 1HD ARG 38 1HD ARG 38 3.559 -11.587 13.199 292 2HD ARG 38 2HD ARG 38 1.994 -10.874 12.812 293 HE ARG 38 HE ARG 38 0.983 -12.314 14.316 294 1HH1 ARG 38 1HH1 ARG 38 4.345 -13.124 13.915 295 2HH1 ARG 38 2HH1 ARG 38 4.386 -14.189 15.282 296 1HH2 ARG 38 1HH2 ARG 38 1.024 -13.713 16.117 297 2HH2 ARG 38 2HH2 ARG 38 2.496 -14.524 16.533 298 H GLY 39 H GLY 39 5.447 -15.198 11.018 299 1HA GLY 39 1HA GLY 39 5.769 -17.581 12.338 300 2HA GLY 39 2HA GLY 39 5.605 -18.035 10.648 301 H SER 40 H SER 40 7.408 -18.122 9.487 302 HA SER 40 HA SER 40 9.871 -17.101 10.653 303 1HB SER 40 1HB SER 40 9.213 -19.034 8.458 304 2HB SER 40 2HB SER 40 10.818 -18.306 8.523 305 HG SER 40 HG SER 40 11.224 -19.318 10.389 306 H SER 41 H SER 41 8.079 -15.125 9.741 307 HA SER 41 HA SER 41 7.906 -13.298 8.381 308 1HB SER 41 1HB SER 41 10.906 -13.702 8.374 309 2HB SER 41 2HB SER 41 10.096 -12.238 7.816 310 HG SER 41 HG SER 41 9.477 -13.192 10.367 311 H ASP 42 H ASP 42 7.847 -15.991 7.098 312 HA ASP 42 HA ASP 42 8.727 -15.237 4.390 313 1HB ASP 42 1HB ASP 42 8.498 -17.865 5.796 314 2HB ASP 42 2HB ASP 42 8.279 -17.820 4.049 315 H CYS 43 H CYS 43 6.022 -16.181 6.361 316 HA CYS 43 HA CYS 43 4.175 -16.910 4.408 317 1HB CYS 43 1HB CYS 43 4.052 -16.836 7.057 318 2HB CYS 43 2HB CYS 43 3.254 -15.299 6.745 319 HG CYS 43 HG CYS 43 1.810 -17.333 4.736 320 H TRP 44 H TRP 44 5.120 -13.722 5.580 321 HA TRP 44 HA TRP 44 3.187 -12.110 4.509 322 1HB TRP 44 1HB TRP 44 6.171 -11.648 4.642 323 2HB TRP 44 2HB TRP 44 5.008 -10.391 4.228 324 HD1 TRP 44 HD1 TRP 44 6.535 -12.165 7.167 325 HE1 TRP 44 HE1 TRP 44 5.568 -11.209 9.352 326 HE3 TRP 44 HE3 TRP 44 2.721 -9.377 5.213 327 HZ2 TRP 44 HZ2 TRP 44 3.465 -9.500 10.143 328 HZ3 TRP 44 HZ3 TRP 44 1.277 -8.111 6.753 329 HH2 TRP 44 HH2 TRP 44 1.643 -8.174 9.166 330 H ASP 45 H ASP 45 5.900 -13.617 2.829 331 HA ASP 45 HA ASP 45 5.929 -12.383 0.414 332 1HB ASP 45 1HB ASP 45 7.118 -14.580 1.314 333 2HB ASP 45 2HB ASP 45 5.864 -15.365 0.358 334 H LYS 46 H LYS 46 3.659 -14.948 1.369 335 HA LYS 46 HA LYS 46 2.217 -14.958 -1.065 336 1HB LYS 46 1HB LYS 46 1.693 -15.988 1.700 337 2HB LYS 46 2HB LYS 46 0.399 -15.997 0.508 338 1HG LYS 46 1HG LYS 46 1.376 -17.621 -0.750 339 2HG LYS 46 2HG LYS 46 3.013 -17.154 -0.284 340 1HD LYS 46 1HD LYS 46 2.785 -18.199 1.847 341 2HD LYS 46 2HD LYS 46 1.055 -18.452 1.604 342 1HE LYS 46 1HE LYS 46 1.600 -19.947 -0.302 343 2HE LYS 46 2HE LYS 46 3.309 -19.761 0.086 344 1HZ LYS 46 1HZ LYS 46 1.207 -21.025 1.750 345 2HZ LYS 46 2HZ LYS 46 2.743 -20.638 2.343 346 3HZ LYS 46 3HZ LYS 46 2.580 -21.757 1.086 347 H ILE 47 H ILE 47 1.688 -13.317 2.030 348 HA ILE 47 HA ILE 47 -0.794 -12.209 1.611 349 HB ILE 47 HB ILE 47 1.596 -11.000 2.999 350 1HG1 ILE 47 1HG1 ILE 47 -0.865 -12.097 4.318 351 2HG1 ILE 47 2HG1 ILE 47 0.398 -13.195 3.769 352 1HG2 ILE 47 1HG2 ILE 47 -1.277 -10.110 3.194 353 2HG2 ILE 47 2HG2 ILE 47 0.112 -9.409 4.023 354 3HG2 ILE 47 3HG2 ILE 47 -0.030 -9.273 2.270 355 1HD1 ILE 47 1HD1 ILE 47 1.595 -11.070 5.238 356 2HD1 ILE 47 2HD1 ILE 47 0.268 -11.754 6.178 357 3HD1 ILE 47 3HD1 ILE 47 1.567 -12.796 5.597 358 H ALA 48 H ALA 48 2.339 -11.038 0.462 359 HA ALA 48 HA ALA 48 1.474 -8.597 -0.614 360 1HB ALA 48 1HB ALA 48 3.614 -8.364 -1.196 361 2HB ALA 48 2HB ALA 48 3.881 -9.919 -0.406 362 3HB ALA 48 3HB ALA 48 3.603 -9.850 -2.146 363 H ARG 49 H ARG 49 1.283 -11.862 -1.827 364 HA ARG 49 HA ARG 49 0.912 -11.420 -4.539 365 1HB ARG 49 1HB ARG 49 -0.478 -13.485 -2.822 366 2HB ARG 49 2HB ARG 49 -0.299 -13.549 -4.570 367 1HG ARG 49 1HG ARG 49 2.085 -13.782 -4.370 368 2HG ARG 49 2HG ARG 49 1.996 -13.552 -2.623 369 1HD ARG 49 1HD ARG 49 2.172 -15.864 -2.875 370 2HD ARG 49 2HD ARG 49 0.447 -15.596 -2.633 371 HE ARG 49 HE ARG 49 1.749 -16.520 -5.046 372 1HH1 ARG 49 1HH1 ARG 49 -1.128 -15.184 -3.611 373 2HH1 ARG 49 2HH1 ARG 49 -2.172 -15.724 -4.884 374 1HH2 ARG 49 1HH2 ARG 49 0.385 -17.237 -6.728 375 2HH2 ARG 49 2HH2 ARG 49 -1.310 -16.893 -6.656 376 H CYS 50 H CYS 50 -1.561 -11.553 -1.980 377 HA CYS 50 HA CYS 50 -3.763 -11.002 -3.624 378 1HB CYS 50 1HB CYS 50 -3.576 -11.746 -1.091 379 2HB CYS 50 2HB CYS 50 -3.722 -10.017 -0.804 380 HG CYS 50 HG CYS 50 -6.270 -10.569 -0.501 381 H VAL 51 H VAL 51 -1.188 -9.021 -2.735 382 HA VAL 51 HA VAL 51 -2.743 -6.584 -3.313 383 HB VAL 51 HB VAL 51 -0.027 -6.566 -2.028 384 1HG1 VAL 51 1HG1 VAL 51 -1.445 -4.542 -3.021 385 2HG1 VAL 51 2HG1 VAL 51 -2.166 -4.609 -1.412 386 3HG1 VAL 51 3HG1 VAL 51 -0.427 -4.372 -1.591 387 1HG2 VAL 51 1HG2 VAL 51 -1.070 -6.543 0.161 388 2HG2 VAL 51 2HG2 VAL 51 -2.664 -6.735 -0.569 389 3HG2 VAL 51 3HG2 VAL 51 -1.479 -8.036 -0.685 390 HA PRO 52 HA PRO 52 -0.146 -7.154 -7.049 391 1HB PRO 52 1HB PRO 52 -1.932 -5.973 -8.718 392 2HB PRO 52 2HB PRO 52 -2.031 -7.676 -8.255 393 1HG PRO 52 1HG PRO 52 -3.536 -5.327 -7.170 394 2HG PRO 52 2HG PRO 52 -4.131 -6.948 -7.573 395 1HD PRO 52 1HD PRO 52 -3.582 -6.189 -5.033 396 2HD PRO 52 2HD PRO 52 -3.367 -7.858 -5.598 397 H SER 53 H SER 53 -0.955 -4.636 -5.097 398 HA SER 53 HA SER 53 0.208 -2.603 -6.877 399 1HB SER 53 1HB SER 53 -1.787 -1.681 -6.139 400 2HB SER 53 2HB SER 53 -1.687 -2.463 -4.562 401 HG SER 53 HG SER 53 -0.384 -0.148 -5.487 402 H LYS 54 H LYS 54 0.299 -3.708 -3.493 403 HA LYS 54 HA LYS 54 2.954 -2.493 -3.211 404 1HB LYS 54 1HB LYS 54 1.358 -3.724 -0.979 405 2HB LYS 54 2HB LYS 54 2.634 -2.518 -0.878 406 1HG LYS 54 1HG LYS 54 0.169 -1.805 -2.367 407 2HG LYS 54 2HG LYS 54 0.085 -1.888 -0.606 408 1HD LYS 54 1HD LYS 54 1.588 -0.153 -0.322 409 2HD LYS 54 2HD LYS 54 2.311 -0.382 -1.916 410 1HE LYS 54 1HE LYS 54 -0.552 0.407 -1.775 411 2HE LYS 54 2HE LYS 54 0.662 1.628 -1.393 412 1HZ LYS 54 1HZ LYS 54 1.552 1.522 -3.516 413 2HZ LYS 54 2HZ LYS 54 -0.110 1.399 -3.804 414 3HZ LYS 54 3HZ LYS 54 0.861 0.015 -3.857 415 H SER 55 H SER 55 4.673 -3.699 -2.222 416 HA SER 55 HA SER 55 4.619 -6.506 -3.020 417 1HB SER 55 1HB SER 55 6.804 -4.541 -2.402 418 2HB SER 55 2HB SER 55 7.140 -6.272 -2.389 419 HG SER 55 HG SER 55 5.820 -5.098 -4.579 420 H LYS 56 H LYS 56 6.067 -7.946 -1.527 421 HA LYS 56 HA LYS 56 4.693 -8.417 0.831 422 1HB LYS 56 1HB LYS 56 6.064 -10.127 -0.195 423 2HB LYS 56 2HB LYS 56 7.519 -9.177 0.076 424 1HG LYS 56 1HG LYS 56 5.855 -9.960 2.417 425 2HG LYS 56 2HG LYS 56 6.895 -11.165 1.656 426 1HD LYS 56 1HD LYS 56 8.642 -9.146 1.843 427 2HD LYS 56 2HD LYS 56 7.603 -8.748 3.213 428 1HE LYS 56 1HE LYS 56 9.073 -10.139 4.259 429 2HE LYS 56 2HE LYS 56 7.898 -11.333 3.710 430 1HZ LYS 56 1HZ LYS 56 9.746 -12.306 2.901 431 2HZ LYS 56 2HZ LYS 56 10.623 -10.862 2.812 432 3HZ LYS 56 3HZ LYS 56 9.502 -11.247 1.604 433 H GLU 57 H GLU 57 8.045 -7.201 0.665 434 HA GLU 57 HA GLU 57 8.485 -6.526 3.240 435 1HB GLU 57 1HB GLU 57 9.278 -5.133 0.703 436 2HB GLU 57 2HB GLU 57 9.751 -4.472 2.262 437 1HG GLU 57 1HG GLU 57 11.000 -6.420 2.802 438 2HG GLU 57 2HG GLU 57 10.354 -7.290 1.411 439 H ASP 58 H ASP 58 6.659 -4.589 0.906 440 HA ASP 58 HA ASP 58 6.181 -2.390 2.609 441 1HB ASP 58 1HB ASP 58 4.441 -3.345 0.328 442 2HB ASP 58 2HB ASP 58 4.501 -1.719 1.002 443 H CYS 59 H CYS 59 4.380 -5.366 1.991 444 HA CYS 59 HA CYS 59 2.030 -4.793 3.342 445 1HB CYS 59 1HB CYS 59 3.524 -7.394 3.009 446 2HB CYS 59 2HB CYS 59 1.931 -7.299 3.750 447 HG CYS 59 HG CYS 59 1.048 -5.879 1.260 448 H ILE 60 H ILE 60 5.061 -6.121 4.621 449 HA ILE 60 HA ILE 60 4.170 -6.459 7.273 450 HB ILE 60 HB ILE 60 6.974 -5.983 6.256 451 1HG1 ILE 60 1HG1 ILE 60 5.883 -8.634 7.121 452 2HG1 ILE 60 2HG1 ILE 60 5.507 -8.035 5.509 453 1HG2 ILE 60 1HG2 ILE 60 6.311 -5.658 8.793 454 2HG2 ILE 60 2HG2 ILE 60 6.407 -7.418 8.795 455 3HG2 ILE 60 3HG2 ILE 60 7.811 -6.460 8.326 456 1HD1 ILE 60 1HD1 ILE 60 7.382 -9.339 5.170 457 2HD1 ILE 60 2HD1 ILE 60 8.054 -7.712 5.289 458 3HD1 ILE 60 3HD1 ILE 60 8.148 -8.808 6.667 459 H ALA 61 H ALA 61 6.298 -3.919 5.942 460 HA ALA 61 HA ALA 61 6.540 -2.273 8.089 461 1HB ALA 61 1HB ALA 61 6.200 -1.553 5.188 462 2HB ALA 61 2HB ALA 61 6.612 -0.370 6.430 463 3HB ALA 61 3HB ALA 61 7.699 -1.720 6.103 464 H ARG 62 H ARG 62 3.683 -2.789 6.169 465 HA ARG 62 HA ARG 62 2.273 -0.515 7.253 466 1HB ARG 62 1HB ARG 62 1.952 -1.676 4.938 467 2HB ARG 62 2HB ARG 62 0.940 -2.798 5.837 468 1HG ARG 62 1HG ARG 62 -0.478 -1.143 4.899 469 2HG ARG 62 2HG ARG 62 -0.385 -0.836 6.635 470 1HD ARG 62 1HD ARG 62 1.284 0.907 6.237 471 2HD ARG 62 2HD ARG 62 1.199 0.595 4.504 472 HE ARG 62 HE ARG 62 -1.379 1.161 5.328 473 1HH1 ARG 62 1HH1 ARG 62 1.702 2.780 5.248 474 2HH1 ARG 62 2HH1 ARG 62 1.013 4.361 5.084 475 1HH2 ARG 62 1HH2 ARG 62 -2.298 3.238 5.112 476 2HH2 ARG 62 2HH2 ARG 62 -1.262 4.621 5.007 477 H TYR 63 H TYR 63 2.544 -3.942 7.892 478 HA TYR 63 HA TYR 63 0.283 -4.345 9.465 479 1HB TYR 63 1HB TYR 63 1.626 -6.217 8.766 480 2HB TYR 63 2HB TYR 63 3.027 -5.601 9.635 481 HD1 TYR 63 HD1 TYR 63 -0.324 -7.104 10.041 482 HD2 TYR 63 HD2 TYR 63 3.322 -6.034 11.956 483 HE1 TYR 63 HE1 TYR 63 -0.986 -8.411 12.017 484 HE2 TYR 63 HE2 TYR 63 2.671 -7.339 13.937 485 HH TYR 63 HH TYR 63 0.927 -8.373 14.968 486 H LYS 64 H LYS 64 3.405 -2.947 10.274 487 HA LYS 64 HA LYS 64 3.293 -2.935 13.034 488 1HB LYS 64 1HB LYS 64 4.415 -0.887 11.121 489 2HB LYS 64 2HB LYS 64 4.652 -0.802 12.862 490 1HG LYS 64 1HG LYS 64 6.533 -1.931 12.402 491 2HG LYS 64 2HG LYS 64 5.458 -3.331 12.391 492 1HD LYS 64 1HD LYS 64 5.246 -3.206 9.991 493 2HD LYS 64 2HD LYS 64 6.180 -1.709 9.951 494 1HE LYS 64 1HE LYS 64 7.388 -4.149 11.169 495 2HE LYS 64 2HE LYS 64 7.310 -4.015 9.413 496 1HZ LYS 64 1HZ LYS 64 8.262 -1.594 10.215 497 2HZ LYS 64 2HZ LYS 64 9.188 -2.864 9.588 498 3HZ LYS 64 3HZ LYS 64 9.035 -2.676 11.263 499 H LEU 65 H LEU 65 1.658 -0.839 10.738 500 HA LEU 65 HA LEU 65 0.654 0.937 12.772 501 1HB LEU 65 1HB LEU 65 -0.131 0.632 9.877 502 2HB LEU 65 2HB LEU 65 -0.632 1.942 10.944 503 HG LEU 65 HG LEU 65 2.006 2.254 11.147 504 1HD1 LEU 65 1HD1 LEU 65 2.921 1.957 8.799 505 2HD1 LEU 65 2HD1 LEU 65 1.564 0.867 8.520 506 3HD1 LEU 65 3HD1 LEU 65 2.748 0.497 9.773 507 1HD2 LEU 65 1HD2 LEU 65 0.528 4.014 10.492 508 2HD2 LEU 65 2HD2 LEU 65 0.217 3.247 8.935 509 3HD2 LEU 65 3HD2 LEU 65 1.813 3.910 9.288 510 H LEU 66 H LEU 66 -0.376 -1.982 11.219 511 HA LEU 66 HA LEU 66 -3.152 -1.739 11.857 512 1HB LEU 66 1HB LEU 66 -1.373 -3.904 10.847 513 2HB LEU 66 2HB LEU 66 -2.955 -4.338 11.490 514 HG LEU 66 HG LEU 66 -2.807 -2.217 9.404 515 1HD1 LEU 66 1HD1 LEU 66 -3.107 -4.216 7.763 516 2HD1 LEU 66 2HD1 LEU 66 -2.215 -5.113 8.992 517 3HD1 LEU 66 3HD1 LEU 66 -1.488 -3.697 8.234 518 1HD2 LEU 66 1HD2 LEU 66 -4.763 -4.474 9.632 519 2HD2 LEU 66 2HD2 LEU 66 -4.983 -2.874 8.924 520 3HD2 LEU 66 3HD2 LEU 66 -4.888 -3.057 10.676 521 H VAL 67 H VAL 67 -0.327 -2.879 13.517 522 HA VAL 67 HA VAL 67 -1.868 -4.229 15.579 523 HB VAL 67 HB VAL 67 0.404 -4.550 16.647 524 1HG1 VAL 67 1HG1 VAL 67 0.063 -5.594 13.837 525 2HG1 VAL 67 2HG1 VAL 67 1.056 -6.313 15.107 526 3HG1 VAL 67 3HG1 VAL 67 -0.699 -6.266 15.279 527 1HG2 VAL 67 1HG2 VAL 67 2.375 -4.115 15.348 528 2HG2 VAL 67 2HG2 VAL 67 1.410 -3.531 13.993 529 3HG2 VAL 67 3HG2 VAL 67 1.464 -2.612 15.497 530 H SER 68 H SER 68 -0.168 -1.217 15.071 531 HA SER 68 HA SER 68 0.279 -0.249 17.570 532 1HB SER 68 1HB SER 68 -0.036 1.987 16.684 533 2HB SER 68 2HB SER 68 0.715 0.983 15.445 534 HG SER 68 HG SER 68 -1.979 1.830 15.621 535 H GLY 69 H GLY 69 -2.842 -0.286 15.880 536 1HA GLY 69 1HA GLY 69 -4.717 -0.892 17.473 537 2HA GLY 69 2HA GLY 69 -4.133 0.464 18.428 538 HA PRO 70 HA PRO 70 -6.981 3.043 16.304 539 1HB PRO 70 1HB PRO 70 -5.780 5.449 16.679 540 2HB PRO 70 2HB PRO 70 -6.613 4.580 17.973 541 1HG PRO 70 1HG PRO 70 -3.684 4.728 17.370 542 2HG PRO 70 2HG PRO 70 -4.510 4.824 18.936 543 1HD PRO 70 1HD PRO 70 -3.308 2.562 18.059 544 2HD PRO 70 2HD PRO 70 -4.753 2.537 19.089 545 H SER 71 H SER 71 -7.215 3.205 14.173 546 HA SER 71 HA SER 71 -4.875 3.940 12.543 547 1HB SER 71 1HB SER 71 -5.912 2.748 10.699 548 2HB SER 71 2HB SER 71 -5.846 1.687 12.106 549 HG SER 71 HG SER 71 -8.139 3.234 11.778 550 H SER 72 H SER 72 -5.900 4.737 10.238 551 HA SER 72 HA SER 72 -7.711 6.962 10.914 552 1HB SER 72 1HB SER 72 -6.467 8.274 9.150 553 2HB SER 72 2HB SER 72 -5.532 7.911 10.600 554 HG SER 72 HG SER 72 -5.445 6.239 8.326 555 H GLY 73 H GLY 73 -7.087 4.282 8.929 556 1HA GLY 73 1HA GLY 73 -9.453 4.918 7.325 557 2HA GLY 73 2HA GLY 73 -7.960 4.563 6.468 Start of MODEL 15 1 1H GLY 1 1H GLY 1 31.314 17.066 -0.021 2 1HA GLY 1 1HA GLY 1 29.322 15.410 -0.946 3 2HA GLY 1 2HA GLY 1 28.759 15.957 0.626 4 H SER 2 H SER 2 27.697 16.474 -2.075 5 HA SER 2 HA SER 2 28.136 19.354 -2.359 6 1HB SER 2 1HB SER 2 27.109 19.177 -4.512 7 2HB SER 2 2HB SER 2 28.207 17.805 -4.362 8 HG SER 2 HG SER 2 26.329 16.572 -3.703 9 H SER 3 H SER 3 26.767 20.770 -1.519 10 HA SER 3 HA SER 3 24.349 19.887 -0.237 11 1HB SER 3 1HB SER 3 25.645 21.603 0.858 12 2HB SER 3 2HB SER 3 25.579 22.631 -0.573 13 HG SER 3 HG SER 3 24.047 23.224 1.052 14 H GLY 4 H GLY 4 22.905 19.211 -1.788 15 1HA GLY 4 1HA GLY 4 22.018 21.272 -3.712 16 2HA GLY 4 2HA GLY 4 21.944 19.545 -4.028 17 H SER 5 H SER 5 20.002 22.004 -3.573 18 HA SER 5 HA SER 5 18.305 21.284 -1.445 19 1HB SER 5 1HB SER 5 17.795 22.866 -3.969 20 2HB SER 5 2HB SER 5 16.597 22.678 -2.689 21 HG SER 5 HG SER 5 17.564 24.355 -1.869 22 H SER 6 H SER 6 18.061 20.622 -4.934 23 HA SER 6 HA SER 6 15.744 19.337 -5.229 24 1HB SER 6 1HB SER 6 17.672 19.514 -6.905 25 2HB SER 6 2HB SER 6 18.267 18.005 -6.211 26 HG SER 6 HG SER 6 16.673 16.940 -7.125 27 H GLY 7 H GLY 7 18.641 17.764 -3.876 28 1HA GLY 7 1HA GLY 7 17.608 15.247 -3.396 29 2HA GLY 7 2HA GLY 7 18.845 16.010 -2.407 30 H SER 8 H SER 8 17.637 17.974 -1.097 31 HA SER 8 HA SER 8 15.997 16.565 0.784 32 1HB SER 8 1HB SER 8 17.600 18.194 1.599 33 2HB SER 8 2HB SER 8 16.841 19.469 0.647 34 HG SER 8 HG SER 8 15.933 18.201 2.978 35 H LEU 9 H LEU 9 13.888 16.275 0.580 36 HA LEU 9 HA LEU 9 12.296 18.377 -0.735 37 1HB LEU 9 1HB LEU 9 11.853 15.397 -0.836 38 2HB LEU 9 2HB LEU 9 10.790 16.613 -1.540 39 HG LEU 9 HG LEU 9 13.642 16.483 -2.415 40 1HD1 LEU 9 1HD1 LEU 9 12.341 14.176 -2.434 41 2HD1 LEU 9 2HD1 LEU 9 13.387 14.670 -3.764 42 3HD1 LEU 9 3HD1 LEU 9 11.640 14.871 -3.896 43 1HD2 LEU 9 1HD2 LEU 9 11.190 17.785 -3.217 44 2HD2 LEU 9 2HD2 LEU 9 11.909 16.883 -4.552 45 3HD2 LEU 9 3HD2 LEU 9 12.852 18.112 -3.707 46 H ARG 10 H ARG 10 10.260 18.823 0.120 47 HA ARG 10 HA ARG 10 9.929 17.998 2.904 48 1HB ARG 10 1HB ARG 10 8.296 19.852 3.023 49 2HB ARG 10 2HB ARG 10 9.886 20.385 2.494 50 1HG ARG 10 1HG ARG 10 9.179 20.748 0.313 51 2HG ARG 10 2HG ARG 10 7.758 19.718 0.501 52 1HD ARG 10 1HD ARG 10 6.715 21.343 1.942 53 2HD ARG 10 2HD ARG 10 8.170 22.339 1.934 54 HE ARG 10 HE ARG 10 7.050 21.871 -0.677 55 1HH1 ARG 10 1HH1 ARG 10 7.000 23.897 2.154 56 2HH1 ARG 10 2HH1 ARG 10 6.365 25.275 1.317 57 1HH2 ARG 10 1HH2 ARG 10 6.214 23.678 -1.790 58 2HH2 ARG 10 2HH2 ARG 10 5.918 25.149 -0.926 59 H LYS 11 H LYS 11 8.284 17.905 -0.200 60 HA LYS 11 HA LYS 11 5.903 16.696 0.908 61 1HB LYS 11 1HB LYS 11 5.699 18.193 -1.005 62 2HB LYS 11 2HB LYS 11 6.761 17.160 -1.954 63 1HG LYS 11 1HG LYS 11 5.155 15.526 -2.221 64 2HG LYS 11 2HG LYS 11 4.241 16.046 -0.804 65 1HD LYS 11 1HD LYS 11 4.523 17.785 -3.238 66 2HD LYS 11 2HD LYS 11 3.253 16.566 -3.106 67 1HE LYS 11 1HE LYS 11 2.701 17.680 -0.858 68 2HE LYS 11 2HE LYS 11 3.688 19.022 -1.436 69 1HZ LYS 11 1HZ LYS 11 2.199 18.921 -3.490 70 2HZ LYS 11 2HZ LYS 11 1.543 19.578 -2.076 71 3HZ LYS 11 3HZ LYS 11 1.147 17.999 -2.537 72 H GLU 12 H GLU 12 5.464 14.582 1.060 73 HA GLU 12 HA GLU 12 7.512 12.662 0.690 74 1HB GLU 12 1HB GLU 12 5.722 11.006 1.234 75 2HB GLU 12 2HB GLU 12 5.877 12.305 2.408 76 1HG GLU 12 1HG GLU 12 3.630 12.303 2.210 77 2HG GLU 12 2HG GLU 12 4.004 13.393 0.876 78 H ARG 13 H ARG 13 4.926 13.809 -1.320 79 HA ARG 13 HA ARG 13 4.725 11.640 -3.098 80 1HB ARG 13 1HB ARG 13 3.218 13.730 -2.851 81 2HB ARG 13 2HB ARG 13 4.356 14.497 -3.950 82 1HG ARG 13 1HG ARG 13 3.145 11.876 -4.693 83 2HG ARG 13 2HG ARG 13 2.201 13.358 -4.864 84 1HD ARG 13 1HD ARG 13 4.064 14.313 -6.210 85 2HD ARG 13 2HD ARG 13 4.866 12.745 -6.132 86 HE ARG 13 HE ARG 13 3.470 12.013 -7.778 87 1HH1 ARG 13 1HH1 ARG 13 2.041 14.806 -6.270 88 2HH1 ARG 13 2HH1 ARG 13 0.719 14.895 -7.386 89 1HH2 ARG 13 1HH2 ARG 13 1.734 12.119 -9.254 90 2HH2 ARG 13 2HH2 ARG 13 0.545 13.365 -9.083 91 H ALA 14 H ALA 14 6.723 14.573 -3.199 92 HA ALA 14 HA ALA 14 7.903 14.426 -5.633 93 1HB ALA 14 1HB ALA 14 8.351 16.067 -3.735 94 2HB ALA 14 2HB ALA 14 9.568 14.915 -3.182 95 3HB ALA 14 3HB ALA 14 9.711 15.651 -4.779 96 H ARG 15 H ARG 15 8.921 12.590 -2.760 97 HA ARG 15 HA ARG 15 10.826 11.070 -4.342 98 1HB ARG 15 1HB ARG 15 11.375 9.980 -2.184 99 2HB ARG 15 2HB ARG 15 11.519 11.731 -2.123 100 1HG ARG 15 1HG ARG 15 9.722 11.971 -0.725 101 2HG ARG 15 2HG ARG 15 8.960 10.476 -1.272 102 1HD ARG 15 1HD ARG 15 9.693 9.844 0.807 103 2HD ARG 15 2HD ARG 15 11.071 9.368 -0.185 104 HE ARG 15 HE ARG 15 11.425 12.011 0.726 105 1HH1 ARG 15 1HH1 ARG 15 11.435 8.725 1.877 106 2HH1 ARG 15 2HH1 ARG 15 12.547 9.043 3.167 107 1HH2 ARG 15 1HH2 ARG 15 12.889 12.442 2.420 108 2HH2 ARG 15 2HH2 ARG 15 13.373 11.158 3.476 109 H SER 16 H SER 16 7.602 10.789 -3.166 110 HA SER 16 HA SER 16 6.127 9.029 -3.036 111 1HB SER 16 1HB SER 16 7.363 9.005 -5.753 112 2HB SER 16 2HB SER 16 6.279 7.682 -5.322 113 HG SER 16 HG SER 16 5.685 10.232 -5.983 114 H ALA 17 H ALA 17 8.382 8.399 -1.576 115 HA ALA 17 HA ALA 17 9.494 5.878 -2.305 116 1HB ALA 17 1HB ALA 17 10.201 5.880 0.158 117 2HB ALA 17 2HB ALA 17 10.831 7.159 -0.881 118 3HB ALA 17 3HB ALA 17 9.497 7.495 0.222 119 H GLU 18 H GLU 18 7.086 6.835 0.145 120 HA GLU 18 HA GLU 18 6.120 4.050 0.135 121 1HB GLU 18 1HB GLU 18 6.515 6.000 2.359 122 2HB GLU 18 2HB GLU 18 5.181 4.862 2.477 123 1HG GLU 18 1HG GLU 18 6.870 3.034 2.052 124 2HG GLU 18 2HG GLU 18 8.115 4.260 2.289 125 H GLU 19 H GLU 19 4.663 4.511 -1.570 126 HA GLU 19 HA GLU 19 2.798 6.607 -1.567 127 1HB GLU 19 1HB GLU 19 3.020 3.980 -2.962 128 2HB GLU 19 2HB GLU 19 1.477 4.821 -3.019 129 1HG GLU 19 1HG GLU 19 4.091 6.065 -3.832 130 2HG GLU 19 2HG GLU 19 2.991 5.260 -4.949 131 HA PRO 20 HA PRO 20 -0.307 5.452 1.309 132 1HB PRO 20 1HB PRO 20 -2.572 6.239 0.038 133 2HB PRO 20 2HB PRO 20 -1.413 7.380 0.729 134 1HG PRO 20 1HG PRO 20 -1.736 6.496 -2.112 135 2HG PRO 20 2HG PRO 20 -1.451 8.125 -1.473 136 1HD PRO 20 1HD PRO 20 0.527 6.609 -2.533 137 2HD PRO 20 2HD PRO 20 0.811 7.765 -1.215 138 H TRP 21 H TRP 21 -2.539 4.321 1.414 139 HA TRP 21 HA TRP 21 -2.480 1.984 -0.382 140 1HB TRP 21 1HB TRP 21 -3.202 2.148 2.549 141 2HB TRP 21 2HB TRP 21 -3.511 0.732 1.547 142 HD1 TRP 21 HD1 TRP 21 -0.360 2.931 2.189 143 HE1 TRP 21 HE1 TRP 21 1.630 1.347 2.581 144 HE3 TRP 21 HE3 TRP 21 -2.777 -1.547 1.695 145 HZ2 TRP 21 HZ2 TRP 21 2.113 -1.433 2.669 146 HZ3 TRP 21 HZ3 TRP 21 -1.478 -3.622 1.947 147 HH2 TRP 21 HH2 TRP 21 0.916 -3.564 2.423 148 H THR 22 H THR 22 -4.205 1.745 -1.629 149 HA THR 22 HA THR 22 -6.511 3.426 -1.298 150 HB THR 22 HB THR 22 -7.124 2.829 -3.420 151 HG1 THR 22 HG1 THR 22 -5.835 0.309 -3.302 152 1HG2 THR 22 1HG2 THR 22 -5.262 3.015 -4.712 153 2HG2 THR 22 2HG2 THR 22 -4.421 1.708 -3.878 154 3HG2 THR 22 3HG2 THR 22 -4.503 3.311 -3.148 155 H GLN 23 H GLN 23 -8.706 2.656 -1.163 156 HA GLN 23 HA GLN 23 -9.358 1.137 0.959 157 1HB GLN 23 1HB GLN 23 -11.503 0.532 -0.400 158 2HB GLN 23 2HB GLN 23 -11.171 2.212 0.002 159 1HG GLN 23 1HG GLN 23 -10.449 2.698 -2.186 160 2HG GLN 23 2HG GLN 23 -10.357 0.991 -2.615 161 1HE2 GLN 23 1HE2 GLN 23 -11.882 0.471 -3.993 162 2HE2 GLN 23 2HE2 GLN 23 -13.514 1.037 -3.976 163 H ASN 24 H ASN 24 -8.429 -0.057 -2.192 164 HA ASN 24 HA ASN 24 -9.199 -2.769 -1.709 165 1HB ASN 24 1HB ASN 24 -7.733 -1.294 -3.830 166 2HB ASN 24 2HB ASN 24 -7.402 -3.019 -3.691 167 1HD2 ASN 24 1HD2 ASN 24 -8.358 -2.857 -5.908 168 2HD2 ASN 24 2HD2 ASN 24 -10.070 -3.048 -6.042 169 H GLN 25 H GLN 25 -5.942 -1.396 -2.196 170 HA GLN 25 HA GLN 25 -4.391 -3.446 -1.372 171 1HB GLN 25 1HB GLN 25 -4.092 -0.488 -0.991 172 2HB GLN 25 2HB GLN 25 -2.887 -1.582 -0.325 173 1HG GLN 25 1HG GLN 25 -2.101 -2.192 -2.371 174 2HG GLN 25 2HG GLN 25 -3.649 -1.923 -3.170 175 1HE2 GLN 25 1HE2 GLN 25 -3.216 -0.517 -4.732 176 2HE2 GLN 25 2HE2 GLN 25 -2.429 1.006 -4.521 177 H GLN 26 H GLN 26 -5.782 -1.006 0.820 178 HA GLN 26 HA GLN 26 -4.817 -2.046 3.211 179 1HB GLN 26 1HB GLN 26 -5.992 0.165 2.854 180 2HB GLN 26 2HB GLN 26 -7.509 -0.724 2.876 181 1HG GLN 26 1HG GLN 26 -6.846 0.367 5.035 182 2HG GLN 26 2HG GLN 26 -7.226 -1.352 5.128 183 1HE2 GLN 26 1HE2 GLN 26 -5.419 -2.847 5.158 184 2HE2 GLN 26 2HE2 GLN 26 -3.933 -2.359 5.890 185 H LYS 27 H LYS 27 -7.559 -3.010 1.263 186 HA LYS 27 HA LYS 27 -8.641 -4.774 3.268 187 1HB LYS 27 1HB LYS 27 -10.355 -4.099 1.914 188 2HB LYS 27 2HB LYS 27 -9.332 -3.997 0.487 189 1HG LYS 27 1HG LYS 27 -9.320 -6.486 0.402 190 2HG LYS 27 2HG LYS 27 -10.499 -6.483 1.715 191 1HD LYS 27 1HD LYS 27 -11.084 -4.818 -0.674 192 2HD LYS 27 2HD LYS 27 -11.227 -6.570 -0.839 193 1HE LYS 27 1HE LYS 27 -12.682 -6.534 1.212 194 2HE LYS 27 2HE LYS 27 -12.674 -4.775 1.099 195 1HZ LYS 27 1HZ LYS 27 -13.878 -4.812 -0.858 196 2HZ LYS 27 2HZ LYS 27 -14.589 -6.070 0.021 197 3HZ LYS 27 3HZ LYS 27 -13.483 -6.419 -1.211 198 H LEU 28 H LEU 28 -7.276 -5.346 0.018 199 HA LEU 28 HA LEU 28 -7.074 -8.068 0.066 200 1HB LEU 28 1HB LEU 28 -4.985 -6.192 -1.031 201 2HB LEU 28 2HB LEU 28 -5.232 -7.871 -1.505 202 HG LEU 28 HG LEU 28 -7.425 -5.867 -1.870 203 1HD1 LEU 28 1HD1 LEU 28 -5.215 -6.368 -3.855 204 2HD1 LEU 28 2HD1 LEU 28 -5.360 -4.917 -2.864 205 3HD1 LEU 28 3HD1 LEU 28 -6.605 -5.300 -4.053 206 1HD2 LEU 28 1HD2 LEU 28 -8.412 -7.494 -3.039 207 2HD2 LEU 28 2HD2 LEU 28 -7.237 -8.573 -2.288 208 3HD2 LEU 28 3HD2 LEU 28 -6.925 -7.907 -3.891 209 H LEU 29 H LEU 29 -5.147 -5.767 1.823 210 HA LEU 29 HA LEU 29 -3.070 -7.614 2.530 211 1HB LEU 29 1HB LEU 29 -2.512 -5.306 2.482 212 2HB LEU 29 2HB LEU 29 -3.851 -4.895 3.552 213 HG LEU 29 HG LEU 29 -2.687 -6.101 5.385 214 1HD1 LEU 29 1HD1 LEU 29 -0.403 -6.235 3.422 215 2HD1 LEU 29 2HD1 LEU 29 -1.352 -7.609 3.989 216 3HD1 LEU 29 3HD1 LEU 29 -0.350 -6.702 5.122 217 1HD2 LEU 29 1HD2 LEU 29 -1.645 -4.206 5.982 218 2HD2 LEU 29 2HD2 LEU 29 -2.303 -3.568 4.476 219 3HD2 LEU 29 3HD2 LEU 29 -0.648 -4.176 4.528 220 H GLU 30 H GLU 30 -5.568 -5.980 4.491 221 HA GLU 30 HA GLU 30 -5.249 -7.406 6.825 222 1HB GLU 30 1HB GLU 30 -7.767 -6.268 5.608 223 2HB GLU 30 2HB GLU 30 -7.679 -6.894 7.248 224 1HG GLU 30 1HG GLU 30 -6.154 -5.202 7.905 225 2HG GLU 30 2HG GLU 30 -5.915 -4.683 6.238 226 H LEU 31 H LEU 31 -7.616 -8.127 4.254 227 HA LEU 31 HA LEU 31 -8.616 -10.489 5.294 228 1HB LEU 31 1HB LEU 31 -8.277 -9.506 2.482 229 2HB LEU 31 2HB LEU 31 -8.989 -11.083 2.818 230 HG LEU 31 HG LEU 31 -10.696 -9.384 2.411 231 1HD1 LEU 31 1HD1 LEU 31 -12.111 -9.977 4.168 232 2HD1 LEU 31 2HD1 LEU 31 -10.789 -10.057 5.332 233 3HD1 LEU 31 3HD1 LEU 31 -10.948 -11.300 4.092 234 1HD2 LEU 31 1HD2 LEU 31 -11.030 -7.571 4.039 235 2HD2 LEU 31 2HD2 LEU 31 -9.501 -7.417 3.174 236 3HD2 LEU 31 3HD2 LEU 31 -9.521 -8.020 4.832 237 H ALA 32 H ALA 32 -5.755 -9.969 3.285 238 HA ALA 32 HA ALA 32 -5.126 -12.711 2.932 239 1HB ALA 32 1HB ALA 32 -3.268 -10.339 2.814 240 2HB ALA 32 2HB ALA 32 -2.981 -11.938 2.125 241 3HB ALA 32 3HB ALA 32 -4.265 -10.917 1.479 242 H LEU 33 H LEU 33 -4.232 -10.306 5.348 243 HA LEU 33 HA LEU 33 -2.181 -11.673 6.637 244 1HB LEU 33 1HB LEU 33 -4.134 -9.582 7.407 245 2HB LEU 33 2HB LEU 33 -3.288 -10.411 8.712 246 HG LEU 33 HG LEU 33 -2.279 -8.233 7.959 247 1HD1 LEU 33 1HD1 LEU 33 -1.089 -10.621 8.755 248 2HD1 LEU 33 2HD1 LEU 33 -0.392 -9.003 8.836 249 3HD1 LEU 33 3HD1 LEU 33 -0.085 -10.026 7.433 250 1HD2 LEU 33 1HD2 LEU 33 -2.142 -9.770 5.442 251 2HD2 LEU 33 2HD2 LEU 33 -0.713 -8.826 5.863 252 3HD2 LEU 33 3HD2 LEU 33 -2.281 -8.032 5.708 253 H GLN 34 H GLN 34 -5.659 -12.047 6.874 254 HA GLN 34 HA GLN 34 -5.658 -13.699 9.183 255 1HB GLN 34 1HB GLN 34 -7.731 -13.627 6.988 256 2HB GLN 34 2HB GLN 34 -7.960 -14.170 8.645 257 1HG GLN 34 1HG GLN 34 -7.172 -11.704 9.179 258 2HG GLN 34 2HG GLN 34 -7.789 -11.420 7.552 259 1HE2 GLN 34 1HE2 GLN 34 -9.029 -10.087 9.436 260 2HE2 GLN 34 2HE2 GLN 34 -10.569 -10.772 9.815 261 H GLN 35 H GLN 35 -5.762 -14.400 5.705 262 HA GLN 35 HA GLN 35 -5.863 -17.220 6.018 263 1HB GLN 35 1HB GLN 35 -5.279 -15.373 3.731 264 2HB GLN 35 2HB GLN 35 -4.992 -17.099 3.558 265 1HG GLN 35 1HG GLN 35 -7.371 -17.470 4.245 266 2HG GLN 35 2HG GLN 35 -7.600 -15.725 4.141 267 1HE2 GLN 35 1HE2 GLN 35 -6.340 -14.975 1.940 268 2HE2 GLN 35 2HE2 GLN 35 -6.973 -15.766 0.541 269 H TYR 36 H TYR 36 -3.248 -14.897 5.633 270 HA TYR 36 HA TYR 36 -1.332 -17.080 6.134 271 1HB TYR 36 1HB TYR 36 -0.662 -14.572 4.603 272 2HB TYR 36 2HB TYR 36 0.264 -16.065 4.704 273 HD1 TYR 36 HD1 TYR 36 -2.683 -14.452 3.204 274 HD2 TYR 36 HD2 TYR 36 -0.255 -17.945 3.300 275 HE1 TYR 36 HE1 TYR 36 -3.762 -15.251 1.144 276 HE2 TYR 36 HE2 TYR 36 -1.327 -18.753 1.239 277 HH TYR 36 HH TYR 36 -2.562 -17.950 -0.632 278 HA PRO 37 HA PRO 37 -0.916 -14.319 9.728 279 1HB PRO 37 1HB PRO 37 0.067 -16.257 11.356 280 2HB PRO 37 2HB PRO 37 -1.661 -16.040 11.056 281 1HG PRO 37 1HG PRO 37 0.246 -17.991 9.823 282 2HG PRO 37 2HG PRO 37 -1.410 -18.257 10.399 283 1HD PRO 37 1HD PRO 37 -0.816 -17.923 7.779 284 2HD PRO 37 2HD PRO 37 -2.351 -17.380 8.486 285 H ARG 38 H ARG 38 1.162 -14.712 11.451 286 HA ARG 38 HA ARG 38 3.435 -13.977 9.791 287 1HB ARG 38 1HB ARG 38 3.037 -13.892 12.787 288 2HB ARG 38 2HB ARG 38 4.478 -13.325 11.953 289 1HG ARG 38 1HG ARG 38 3.393 -11.350 12.147 290 2HG ARG 38 2HG ARG 38 2.677 -11.892 10.629 291 1HD ARG 38 1HD ARG 38 0.955 -13.033 12.298 292 2HD ARG 38 2HD ARG 38 1.488 -11.718 13.344 293 HE ARG 38 HE ARG 38 0.867 -10.622 10.861 294 1HH1 ARG 38 1HH1 ARG 38 -0.746 -12.244 13.485 295 2HH1 ARG 38 2HH1 ARG 38 -2.265 -11.456 13.211 296 1HH2 ARG 38 1HH2 ARG 38 -1.127 -9.578 10.490 297 2HH2 ARG 38 2HH2 ARG 38 -2.480 -9.940 11.506 298 H GLY 39 H GLY 39 5.642 -14.750 10.595 299 1HA GLY 39 1HA GLY 39 5.967 -17.164 11.975 300 2HA GLY 39 2HA GLY 39 5.787 -17.546 10.269 301 H SER 40 H SER 40 7.617 -17.702 9.173 302 HA SER 40 HA SER 40 10.010 -16.383 10.252 303 1HB SER 40 1HB SER 40 9.654 -18.809 8.491 304 2HB SER 40 2HB SER 40 11.220 -18.032 8.724 305 HG SER 40 HG SER 40 9.656 -19.480 10.533 306 H SER 41 H SER 41 8.571 -14.567 9.036 307 HA SER 41 HA SER 41 8.311 -13.173 7.227 308 1HB SER 41 1HB SER 41 11.239 -13.695 7.547 309 2HB SER 41 2HB SER 41 10.697 -12.719 6.182 310 HG SER 41 HG SER 41 10.911 -11.237 7.723 311 H ASP 42 H ASP 42 8.050 -16.090 6.657 312 HA ASP 42 HA ASP 42 8.786 -16.072 3.806 313 1HB ASP 42 1HB ASP 42 9.667 -17.919 5.364 314 2HB ASP 42 2HB ASP 42 8.014 -18.527 5.369 315 H CYS 43 H CYS 43 6.190 -16.056 6.033 316 HA CYS 43 HA CYS 43 4.223 -17.104 4.199 317 1HB CYS 43 1HB CYS 43 4.180 -16.016 6.984 318 2HB CYS 43 2HB CYS 43 2.674 -16.077 6.076 319 HG CYS 43 HG CYS 43 4.480 -18.921 6.128 320 H TRP 44 H TRP 44 4.906 -13.926 5.654 321 HA TRP 44 HA TRP 44 3.008 -12.334 4.623 322 1HB TRP 44 1HB TRP 44 5.976 -11.822 4.785 323 2HB TRP 44 2HB TRP 44 4.830 -10.569 4.317 324 HD1 TRP 44 HD1 TRP 44 6.128 -12.453 7.335 325 HE1 TRP 44 HE1 TRP 44 5.125 -11.423 9.470 326 HE3 TRP 44 HE3 TRP 44 2.671 -9.353 5.196 327 HZ2 TRP 44 HZ2 TRP 44 3.133 -9.546 10.157 328 HZ3 TRP 44 HZ3 TRP 44 1.256 -7.974 6.662 329 HH2 TRP 44 HH2 TRP 44 1.483 -8.070 9.091 330 H ASP 45 H ASP 45 5.670 -13.741 2.805 331 HA ASP 45 HA ASP 45 5.686 -12.406 0.457 332 1HB ASP 45 1HB ASP 45 7.130 -14.179 0.375 333 2HB ASP 45 2HB ASP 45 5.992 -15.279 1.148 334 H LYS 46 H LYS 46 3.521 -15.194 0.988 335 HA LYS 46 HA LYS 46 1.992 -15.011 -1.273 336 1HB LYS 46 1HB LYS 46 1.292 -15.857 1.526 337 2HB LYS 46 2HB LYS 46 0.094 -15.908 0.240 338 1HG LYS 46 1HG LYS 46 1.064 -17.675 -0.785 339 2HG LYS 46 2HG LYS 46 2.697 -17.190 -0.321 340 1HD LYS 46 1HD LYS 46 0.631 -18.437 1.492 341 2HD LYS 46 2HD LYS 46 2.041 -19.251 0.810 342 1HE LYS 46 1HE LYS 46 3.311 -17.242 1.967 343 2HE LYS 46 2HE LYS 46 1.872 -17.226 2.985 344 1HZ LYS 46 1HZ LYS 46 2.678 -19.875 2.744 345 2HZ LYS 46 2HZ LYS 46 2.740 -18.896 4.122 346 3HZ LYS 46 3HZ LYS 46 4.073 -18.978 3.082 347 H ILE 47 H ILE 47 1.270 -13.426 1.839 348 HA ILE 47 HA ILE 47 -1.027 -12.105 1.280 349 HB ILE 47 HB ILE 47 1.361 -10.953 2.726 350 1HG1 ILE 47 1HG1 ILE 47 -1.103 -12.110 3.996 351 2HG1 ILE 47 2HG1 ILE 47 0.210 -13.164 3.482 352 1HG2 ILE 47 1HG2 ILE 47 0.219 -9.081 3.076 353 2HG2 ILE 47 2HG2 ILE 47 -0.987 -9.654 1.925 354 3HG2 ILE 47 3HG2 ILE 47 -1.182 -9.988 3.645 355 1HD1 ILE 47 1HD1 ILE 47 1.153 -12.794 5.446 356 2HD1 ILE 47 2HD1 ILE 47 1.440 -11.132 4.930 357 3HD1 ILE 47 3HD1 ILE 47 -0.019 -11.535 5.836 358 H ALA 48 H ALA 48 2.231 -10.927 0.463 359 HA ALA 48 HA ALA 48 1.569 -8.524 -0.718 360 1HB ALA 48 1HB ALA 48 3.713 -8.450 -1.455 361 2HB ALA 48 2HB ALA 48 3.878 -9.797 -0.328 362 3HB ALA 48 3HB ALA 48 3.683 -10.109 -2.053 363 H ARG 49 H ARG 49 1.352 -11.770 -2.041 364 HA ARG 49 HA ARG 49 1.031 -11.211 -4.736 365 1HB ARG 49 1HB ARG 49 -0.453 -13.340 -3.188 366 2HB ARG 49 2HB ARG 49 -0.108 -13.341 -4.912 367 1HG ARG 49 1HG ARG 49 2.288 -13.488 -4.426 368 2HG ARG 49 2HG ARG 49 1.926 -13.514 -2.699 369 1HD ARG 49 1HD ARG 49 2.332 -15.764 -3.603 370 2HD ARG 49 2HD ARG 49 0.701 -15.587 -2.955 371 HE ARG 49 HE ARG 49 -0.147 -15.874 -5.073 372 1HH1 ARG 49 1HH1 ARG 49 3.297 -15.393 -5.240 373 2HH1 ARG 49 2HH1 ARG 49 3.407 -15.823 -6.915 374 1HH2 ARG 49 1HH2 ARG 49 -0.015 -16.442 -7.278 375 2HH2 ARG 49 2HH2 ARG 49 1.523 -16.419 -8.073 376 H CYS 50 H CYS 50 -1.475 -11.408 -2.218 377 HA CYS 50 HA CYS 50 -3.650 -10.794 -3.888 378 1HB CYS 50 1HB CYS 50 -3.511 -11.653 -1.385 379 2HB CYS 50 2HB CYS 50 -3.671 -9.938 -1.027 380 HG CYS 50 HG CYS 50 -5.931 -10.799 -3.255 381 H VAL 51 H VAL 51 -1.104 -8.857 -2.781 382 HA VAL 51 HA VAL 51 -2.636 -6.394 -3.294 383 HB VAL 51 HB VAL 51 0.060 -6.433 -1.976 384 1HG1 VAL 51 1HG1 VAL 51 -1.323 -4.363 -2.864 385 2HG1 VAL 51 2HG1 VAL 51 -2.134 -4.543 -1.306 386 3HG1 VAL 51 3HG1 VAL 51 -0.391 -4.279 -1.370 387 1HG2 VAL 51 1HG2 VAL 51 -1.347 -7.991 -0.717 388 2HG2 VAL 51 2HG2 VAL 51 -1.029 -6.522 0.206 389 3HG2 VAL 51 3HG2 VAL 51 -2.594 -6.751 -0.575 390 HA PRO 52 HA PRO 52 -0.004 -6.754 -7.021 391 1HB PRO 52 1HB PRO 52 -1.738 -5.413 -8.623 392 2HB PRO 52 2HB PRO 52 -1.889 -7.140 -8.278 393 1HG PRO 52 1HG PRO 52 -3.341 -4.828 -7.048 394 2HG PRO 52 2HG PRO 52 -3.976 -6.400 -7.567 395 1HD PRO 52 1HD PRO 52 -3.434 -5.832 -4.976 396 2HD PRO 52 2HD PRO 52 -3.259 -7.464 -5.652 397 H SER 53 H SER 53 -0.771 -4.351 -4.912 398 HA SER 53 HA SER 53 0.464 -2.234 -6.538 399 1HB SER 53 1HB SER 53 -1.462 -1.251 -5.752 400 2HB SER 53 2HB SER 53 -1.487 -2.224 -4.282 401 HG SER 53 HG SER 53 -0.484 0.241 -4.665 402 H LYS 54 H LYS 54 0.522 -3.615 -3.259 403 HA LYS 54 HA LYS 54 3.210 -2.493 -2.886 404 1HB LYS 54 1HB LYS 54 1.446 -3.752 -0.784 405 2HB LYS 54 2HB LYS 54 2.888 -2.778 -0.527 406 1HG LYS 54 1HG LYS 54 0.557 -1.592 -1.959 407 2HG LYS 54 2HG LYS 54 0.519 -1.746 -0.201 408 1HD LYS 54 1HD LYS 54 2.468 -0.397 0.038 409 2HD LYS 54 2HD LYS 54 2.779 -0.433 -1.699 410 1HE LYS 54 1HE LYS 54 0.402 0.651 -1.842 411 2HE LYS 54 2HE LYS 54 0.720 1.092 -0.165 412 1HZ LYS 54 1HZ LYS 54 1.550 2.450 -2.395 413 2HZ LYS 54 2HZ LYS 54 2.947 1.673 -1.843 414 3HZ LYS 54 3HZ LYS 54 2.086 2.699 -0.810 415 H SER 55 H SER 55 4.753 -3.890 -1.646 416 HA SER 55 HA SER 55 4.592 -6.650 -2.655 417 1HB SER 55 1HB SER 55 6.872 -4.760 -2.224 418 2HB SER 55 2HB SER 55 7.170 -6.495 -2.113 419 HG SER 55 HG SER 55 7.475 -5.964 -4.224 420 H LYS 56 H LYS 56 5.919 -8.226 -1.276 421 HA LYS 56 HA LYS 56 4.714 -8.677 1.132 422 1HB LYS 56 1HB LYS 56 6.066 -10.366 0.039 423 2HB LYS 56 2HB LYS 56 7.524 -9.420 0.303 424 1HG LYS 56 1HG LYS 56 5.862 -10.337 2.615 425 2HG LYS 56 2HG LYS 56 7.031 -11.417 1.850 426 1HD LYS 56 1HD LYS 56 8.631 -9.343 2.155 427 2HD LYS 56 2HD LYS 56 7.482 -8.931 3.430 428 1HE LYS 56 1HE LYS 56 7.821 -11.162 4.418 429 2HE LYS 56 2HE LYS 56 9.011 -11.519 3.167 430 1HZ LYS 56 1HZ LYS 56 10.563 -10.464 4.318 431 2HZ LYS 56 2HZ LYS 56 9.470 -10.305 5.598 432 3HZ LYS 56 3HZ LYS 56 9.617 -9.068 4.455 433 H GLU 57 H GLU 57 7.905 -7.143 0.699 434 HA GLU 57 HA GLU 57 8.457 -6.579 3.347 435 1HB GLU 57 1HB GLU 57 9.172 -5.097 0.822 436 2HB GLU 57 2HB GLU 57 9.776 -4.608 2.400 437 1HG GLU 57 1HG GLU 57 11.007 -6.588 2.664 438 2HG GLU 57 2HG GLU 57 10.156 -7.388 1.344 439 H ASP 58 H ASP 58 6.679 -4.592 1.002 440 HA ASP 58 HA ASP 58 6.196 -2.408 2.703 441 1HB ASP 58 1HB ASP 58 4.563 -3.417 0.364 442 2HB ASP 58 2HB ASP 58 4.380 -1.835 1.118 443 H CYS 59 H CYS 59 4.434 -5.412 2.176 444 HA CYS 59 HA CYS 59 2.074 -4.811 3.521 445 1HB CYS 59 1HB CYS 59 3.563 -7.419 3.211 446 2HB CYS 59 2HB CYS 59 1.971 -7.310 3.952 447 HG CYS 59 HG CYS 59 2.547 -7.877 0.905 448 H ILE 60 H ILE 60 5.024 -6.337 4.810 449 HA ILE 60 HA ILE 60 4.153 -6.524 7.469 450 HB ILE 60 HB ILE 60 6.936 -6.332 6.323 451 1HG1 ILE 60 1HG1 ILE 60 5.766 -8.751 7.632 452 2HG1 ILE 60 2HG1 ILE 60 5.253 -8.346 5.998 453 1HG2 ILE 60 1HG2 ILE 60 6.866 -5.508 8.656 454 2HG2 ILE 60 2HG2 ILE 60 6.173 -7.052 9.149 455 3HG2 ILE 60 3HG2 ILE 60 7.800 -6.992 8.473 456 1HD1 ILE 60 1HD1 ILE 60 6.995 -9.758 5.574 457 2HD1 ILE 60 2HD1 ILE 60 7.830 -8.204 5.563 458 3HD1 ILE 60 3HD1 ILE 60 7.907 -9.237 6.990 459 H ALA 61 H ALA 61 5.986 -3.988 5.800 460 HA ALA 61 HA ALA 61 6.488 -2.347 8.007 461 1HB ALA 61 1HB ALA 61 7.647 -1.961 5.955 462 2HB ALA 61 2HB ALA 61 6.137 -1.654 5.096 463 3HB ALA 61 3HB ALA 61 6.702 -0.517 6.321 464 H ARG 62 H ARG 62 3.591 -2.885 6.192 465 HA ARG 62 HA ARG 62 2.278 -0.487 7.135 466 1HB ARG 62 1HB ARG 62 1.799 -1.509 4.903 467 2HB ARG 62 2HB ARG 62 1.074 -2.878 5.734 468 1HG ARG 62 1HG ARG 62 -0.706 -1.487 5.077 469 2HG ARG 62 2HG ARG 62 -0.505 -1.234 6.812 470 1HD ARG 62 1HD ARG 62 1.095 0.701 5.960 471 2HD ARG 62 2HD ARG 62 0.056 0.596 4.540 472 HE ARG 62 HE ARG 62 -1.471 0.734 6.934 473 1HH1 ARG 62 1HH1 ARG 62 0.392 2.659 4.711 474 2HH1 ARG 62 2HH1 ARG 62 -0.464 4.125 5.059 475 1HH2 ARG 62 1HH2 ARG 62 -2.606 2.657 7.401 476 2HH2 ARG 62 2HH2 ARG 62 -2.168 4.122 6.590 477 H TYR 63 H TYR 63 2.128 -3.967 7.776 478 HA TYR 63 HA TYR 63 -0.012 -4.133 9.469 479 1HB TYR 63 1HB TYR 63 1.324 -6.074 8.776 480 2HB TYR 63 2HB TYR 63 2.649 -5.535 9.801 481 HD1 TYR 63 HD1 TYR 63 -0.915 -6.605 9.930 482 HD2 TYR 63 HD2 TYR 63 2.771 -6.238 12.024 483 HE1 TYR 63 HE1 TYR 63 -1.864 -7.875 11.810 484 HE2 TYR 63 HE2 TYR 63 1.833 -7.508 13.910 485 HH TYR 63 HH TYR 63 0.065 -8.574 14.714 486 H LYS 64 H LYS 64 3.287 -3.138 10.301 487 HA LYS 64 HA LYS 64 3.184 -2.925 13.008 488 1HB LYS 64 1HB LYS 64 4.411 -1.039 11.000 489 2HB LYS 64 2HB LYS 64 4.660 -0.870 12.733 490 1HG LYS 64 1HG LYS 64 5.996 -2.710 12.865 491 2HG LYS 64 2HG LYS 64 5.219 -3.510 11.497 492 1HD LYS 64 1HD LYS 64 6.287 -1.834 9.995 493 2HD LYS 64 2HD LYS 64 7.160 -1.202 11.393 494 1HE LYS 64 1HE LYS 64 7.877 -3.706 11.685 495 2HE LYS 64 2HE LYS 64 7.471 -3.808 9.972 496 1HZ LYS 64 1HZ LYS 64 9.718 -2.542 11.254 497 2HZ LYS 64 2HZ LYS 64 8.970 -1.571 10.088 498 3HZ LYS 64 3HZ LYS 64 9.553 -3.102 9.666 499 H LEU 65 H LEU 65 1.547 -0.901 10.680 500 HA LEU 65 HA LEU 65 0.689 0.992 12.708 501 1HB LEU 65 1HB LEU 65 -0.063 0.792 9.795 502 2HB LEU 65 2HB LEU 65 -0.443 2.132 10.875 503 HG LEU 65 HG LEU 65 2.209 2.186 11.101 504 1HD1 LEU 65 1HD1 LEU 65 2.741 0.344 9.707 505 2HD1 LEU 65 2HD1 LEU 65 3.156 1.801 8.804 506 3HD1 LEU 65 3HD1 LEU 65 1.676 0.920 8.424 507 1HD2 LEU 65 1HD2 LEU 65 0.756 4.031 10.395 508 2HD2 LEU 65 2HD2 LEU 65 0.685 3.348 8.771 509 3HD2 LEU 65 3HD2 LEU 65 2.218 3.937 9.413 510 H LEU 66 H LEU 66 -0.582 -1.714 10.888 511 HA LEU 66 HA LEU 66 -3.315 -1.344 11.429 512 1HB LEU 66 1HB LEU 66 -1.613 -3.673 10.679 513 2HB LEU 66 2HB LEU 66 -3.275 -3.957 11.189 514 HG LEU 66 HG LEU 66 -3.741 -2.104 9.333 515 1HD1 LEU 66 1HD1 LEU 66 -2.260 -2.096 7.546 516 2HD1 LEU 66 2HD1 LEU 66 -1.431 -3.552 8.096 517 3HD1 LEU 66 3HD1 LEU 66 -1.194 -2.027 8.950 518 1HD2 LEU 66 1HD2 LEU 66 -4.096 -3.982 7.738 519 2HD2 LEU 66 2HD2 LEU 66 -4.781 -4.262 9.339 520 3HD2 LEU 66 3HD2 LEU 66 -3.270 -5.045 8.876 521 H VAL 67 H VAL 67 -0.717 -2.746 13.305 522 HA VAL 67 HA VAL 67 -2.582 -3.646 15.368 523 HB VAL 67 HB VAL 67 -0.652 -4.673 16.446 524 1HG1 VAL 67 1HG1 VAL 67 -0.249 -5.463 13.616 525 2HG1 VAL 67 2HG1 VAL 67 -0.552 -6.459 15.040 526 3HG1 VAL 67 3HG1 VAL 67 -1.880 -5.589 14.273 527 1HG2 VAL 67 1HG2 VAL 67 1.378 -4.474 14.526 528 2HG2 VAL 67 2HG2 VAL 67 0.798 -2.828 14.784 529 3HG2 VAL 67 3HG2 VAL 67 1.367 -3.787 16.150 530 H SER 68 H SER 68 -0.195 -1.183 14.735 531 HA SER 68 HA SER 68 0.374 -0.285 17.292 532 1HB SER 68 1HB SER 68 1.599 0.655 15.483 533 2HB SER 68 2HB SER 68 0.130 1.202 14.676 534 HG SER 68 HG SER 68 1.624 2.470 16.519 535 H GLY 69 H GLY 69 -2.377 0.511 15.207 536 1HA GLY 69 1HA GLY 69 -3.601 2.552 16.495 537 2HA GLY 69 2HA GLY 69 -4.498 1.205 15.811 538 HA PRO 70 HA PRO 70 -5.954 0.158 19.809 539 1HB PRO 70 1HB PRO 70 -6.273 -2.526 19.557 540 2HB PRO 70 2HB PRO 70 -7.340 -1.355 18.775 541 1HG PRO 70 1HG PRO 70 -5.035 -2.880 17.625 542 2HG PRO 70 2HG PRO 70 -6.629 -2.558 16.917 543 1HD PRO 70 1HD PRO 70 -4.421 -1.145 16.239 544 2HD PRO 70 2HD PRO 70 -6.045 -0.429 16.257 545 H SER 71 H SER 71 -4.428 0.460 21.359 546 HA SER 71 HA SER 71 -2.040 -1.093 21.536 547 1HB SER 71 1HB SER 71 -2.528 1.312 22.427 548 2HB SER 71 2HB SER 71 -3.154 0.471 23.845 549 HG SER 71 HG SER 71 -0.683 1.069 23.409 550 H SER 72 H SER 72 -2.447 -3.247 21.769 551 HA SER 72 HA SER 72 -3.661 -4.054 24.318 552 1HB SER 72 1HB SER 72 -5.259 -4.346 22.356 553 2HB SER 72 2HB SER 72 -4.146 -5.574 21.754 554 HG SER 72 HG SER 72 -4.438 -6.391 24.084 555 H GLY 73 H GLY 73 -2.608 -5.653 25.381 556 1HA GLY 73 1HA GLY 73 0.026 -6.215 24.995 557 2HA GLY 73 2HA GLY 73 -1.072 -7.321 25.807 Start of MODEL 16 1 1H GLY 1 1H GLY 1 35.377 7.632 -22.899 2 1HA GLY 1 1HA GLY 1 33.352 8.371 -23.726 3 2HA GLY 1 2HA GLY 1 32.619 6.887 -23.134 4 H SER 2 H SER 2 32.775 10.195 -22.750 5 HA SER 2 HA SER 2 32.119 10.207 -19.918 6 1HB SER 2 1HB SER 2 33.518 11.986 -21.234 7 2HB SER 2 2HB SER 2 31.938 12.628 -21.683 8 HG SER 2 HG SER 2 31.507 12.583 -19.334 9 H SER 3 H SER 3 30.297 8.744 -21.417 10 HA SER 3 HA SER 3 28.042 10.182 -22.279 11 1HB SER 3 1HB SER 3 26.891 8.096 -22.299 12 2HB SER 3 2HB SER 3 28.567 7.730 -22.706 13 HG SER 3 HG SER 3 28.582 7.512 -20.177 14 H GLY 4 H GLY 4 26.021 10.541 -21.267 15 1HA GLY 4 1HA GLY 4 25.597 10.014 -18.493 16 2HA GLY 4 2HA GLY 4 26.072 11.685 -18.760 17 H SER 5 H SER 5 23.928 9.402 -20.465 18 HA SER 5 HA SER 5 21.829 11.468 -20.349 19 1HB SER 5 1HB SER 5 22.589 11.102 -22.639 20 2HB SER 5 2HB SER 5 22.312 9.368 -22.477 21 HG SER 5 HG SER 5 20.482 10.040 -23.394 22 H SER 6 H SER 6 20.062 10.969 -19.244 23 HA SER 6 HA SER 6 18.685 9.769 -17.857 24 1HB SER 6 1HB SER 6 17.836 9.361 -20.218 25 2HB SER 6 2HB SER 6 18.649 7.798 -20.147 26 HG SER 6 HG SER 6 16.257 8.291 -19.325 27 H GLY 7 H GLY 7 21.349 9.270 -17.235 28 1HA GLY 7 1HA GLY 7 21.609 6.377 -16.919 29 2HA GLY 7 2HA GLY 7 22.836 7.578 -16.544 30 H SER 8 H SER 8 21.645 9.260 -14.824 31 HA SER 8 HA SER 8 21.788 7.951 -12.381 32 1HB SER 8 1HB SER 8 20.256 10.505 -12.919 33 2HB SER 8 2HB SER 8 20.957 9.992 -11.384 34 HG SER 8 HG SER 8 22.321 10.738 -13.753 35 H LEU 9 H LEU 9 20.377 6.909 -11.095 36 HA LEU 9 HA LEU 9 17.900 6.021 -12.194 37 1HB LEU 9 1HB LEU 9 17.694 4.673 -10.277 38 2HB LEU 9 2HB LEU 9 19.413 4.718 -10.660 39 HG LEU 9 HG LEU 9 19.259 4.861 -8.313 40 1HD1 LEU 9 1HD1 LEU 9 20.878 6.393 -9.229 41 2HD1 LEU 9 2HD1 LEU 9 20.110 7.126 -7.821 42 3HD1 LEU 9 3HD1 LEU 9 19.638 7.629 -9.444 43 1HD2 LEU 9 1HD2 LEU 9 16.771 6.048 -8.812 44 2HD2 LEU 9 2HD2 LEU 9 17.716 7.254 -7.939 45 3HD2 LEU 9 3HD2 LEU 9 17.479 5.649 -7.246 46 H ARG 10 H ARG 10 15.812 6.198 -11.063 47 HA ARG 10 HA ARG 10 15.472 8.893 -9.925 48 1HB ARG 10 1HB ARG 10 13.694 7.194 -11.653 49 2HB ARG 10 2HB ARG 10 13.027 8.495 -10.676 50 1HG ARG 10 1HG ARG 10 14.779 9.981 -11.823 51 2HG ARG 10 2HG ARG 10 14.918 8.662 -12.988 52 1HD ARG 10 1HD ARG 10 12.206 9.673 -12.288 53 2HD ARG 10 2HD ARG 10 13.221 10.648 -13.351 54 HE ARG 10 HE ARG 10 12.969 7.868 -14.104 55 1HH1 ARG 10 1HH1 ARG 10 11.732 11.103 -14.456 56 2HH1 ARG 10 2HH1 ARG 10 10.971 10.786 -15.981 57 1HH2 ARG 10 1HH2 ARG 10 11.972 7.438 -16.110 58 2HH2 ARG 10 2HH2 ARG 10 11.108 8.701 -16.920 59 H LYS 11 H LYS 11 13.695 9.136 -8.358 60 HA LYS 11 HA LYS 11 13.653 6.849 -6.529 61 1HB LYS 11 1HB LYS 11 13.400 9.799 -6.211 62 2HB LYS 11 2HB LYS 11 12.557 8.780 -5.053 63 1HG LYS 11 1HG LYS 11 14.569 9.120 -4.003 64 2HG LYS 11 2HG LYS 11 14.856 7.587 -4.830 65 1HD LYS 11 1HD LYS 11 16.750 8.708 -5.442 66 2HD LYS 11 2HD LYS 11 15.683 9.200 -6.760 67 1HE LYS 11 1HE LYS 11 16.112 10.784 -4.230 68 2HE LYS 11 2HE LYS 11 16.976 11.070 -5.739 69 1HZ LYS 11 1HZ LYS 11 15.152 12.576 -5.611 70 2HZ LYS 11 2HZ LYS 11 14.056 11.331 -5.281 71 3HZ LYS 11 3HZ LYS 11 14.786 11.433 -6.804 72 H GLU 12 H GLU 12 12.021 6.591 -8.762 73 HA GLU 12 HA GLU 12 9.349 7.432 -8.235 74 1HB GLU 12 1HB GLU 12 10.200 6.901 -10.505 75 2HB GLU 12 2HB GLU 12 10.315 5.209 -10.041 76 1HG GLU 12 1HG GLU 12 8.308 5.219 -11.122 77 2HG GLU 12 2HG GLU 12 7.785 5.502 -9.463 78 H ARG 13 H ARG 13 11.019 4.303 -7.944 79 HA ARG 13 HA ARG 13 8.743 3.092 -6.646 80 1HB ARG 13 1HB ARG 13 10.192 1.104 -6.473 81 2HB ARG 13 2HB ARG 13 10.125 1.735 -8.113 82 1HG ARG 13 1HG ARG 13 12.294 2.821 -7.778 83 2HG ARG 13 2HG ARG 13 12.361 2.163 -6.142 84 1HD ARG 13 1HD ARG 13 12.135 0.486 -8.636 85 2HD ARG 13 2HD ARG 13 13.660 0.867 -7.837 86 HE ARG 13 HE ARG 13 13.128 -0.620 -6.154 87 1HH1 ARG 13 1HH1 ARG 13 10.387 -0.142 -8.246 88 2HH1 ARG 13 2HH1 ARG 13 9.486 -1.464 -7.584 89 1HH2 ARG 13 1HH2 ARG 13 11.951 -2.364 -5.273 90 2HH2 ARG 13 2HH2 ARG 13 10.375 -2.727 -5.892 91 H ALA 14 H ALA 14 11.870 4.402 -5.718 92 HA ALA 14 HA ALA 14 12.218 3.479 -3.176 93 1HB ALA 14 1HB ALA 14 13.262 5.692 -2.665 94 2HB ALA 14 2HB ALA 14 13.836 4.936 -4.151 95 3HB ALA 14 3HB ALA 14 12.678 6.263 -4.228 96 H ARG 15 H ARG 15 10.078 6.122 -4.184 97 HA ARG 15 HA ARG 15 9.235 7.054 -1.737 98 1HB ARG 15 1HB ARG 15 7.753 6.746 -4.342 99 2HB ARG 15 2HB ARG 15 7.023 7.515 -2.939 100 1HG ARG 15 1HG ARG 15 8.902 9.136 -2.918 101 2HG ARG 15 2HG ARG 15 9.485 8.412 -4.418 102 1HD ARG 15 1HD ARG 15 8.235 10.265 -5.111 103 2HD ARG 15 2HD ARG 15 7.154 8.892 -5.346 104 HE ARG 15 HE ARG 15 6.457 9.708 -2.900 105 1HH1 ARG 15 1HH1 ARG 15 6.966 11.479 -5.854 106 2HH1 ARG 15 2HH1 ARG 15 5.817 12.715 -5.464 107 1HH2 ARG 15 1HH2 ARG 15 4.941 11.329 -2.375 108 2HH2 ARG 15 2HH2 ARG 15 4.666 12.629 -3.484 109 H SER 16 H SER 16 8.159 4.184 -3.480 110 HA SER 16 HA SER 16 5.911 3.411 -2.206 111 1HB SER 16 1HB SER 16 7.513 2.144 -3.900 112 2HB SER 16 2HB SER 16 8.041 1.328 -2.428 113 HG SER 16 HG SER 16 6.082 0.456 -2.183 114 H ALA 17 H ALA 17 9.140 3.427 -0.850 115 HA ALA 17 HA ALA 17 8.938 1.858 1.366 116 1HB ALA 17 1HB ALA 17 10.468 4.241 0.653 117 2HB ALA 17 2HB ALA 17 10.248 4.030 2.391 118 3HB ALA 17 3HB ALA 17 10.989 2.748 1.434 119 H GLU 18 H GLU 18 7.851 5.239 1.122 120 HA GLU 18 HA GLU 18 6.092 4.736 3.429 121 1HB GLU 18 1HB GLU 18 7.997 6.961 2.933 122 2HB GLU 18 2HB GLU 18 6.450 7.382 3.656 123 1HG GLU 18 1HG GLU 18 7.933 5.108 4.837 124 2HG GLU 18 2HG GLU 18 8.575 6.729 5.100 125 H GLU 19 H GLU 19 4.760 4.165 1.406 126 HA GLU 19 HA GLU 19 3.465 6.599 0.369 127 1HB GLU 19 1HB GLU 19 3.955 3.907 -0.847 128 2HB GLU 19 2HB GLU 19 2.584 4.865 -1.388 129 1HG GLU 19 1HG GLU 19 4.449 6.734 -1.591 130 2HG GLU 19 2HG GLU 19 5.487 5.319 -1.762 131 HA PRO 20 HA PRO 20 -0.294 5.527 2.365 132 1HB PRO 20 1HB PRO 20 -2.119 6.458 0.583 133 2HB PRO 20 2HB PRO 20 -1.132 7.522 1.593 134 1HG PRO 20 1HG PRO 20 -0.743 6.729 -1.267 135 2HG PRO 20 2HG PRO 20 -0.567 8.325 -0.515 136 1HD PRO 20 1HD PRO 20 1.554 6.742 -1.086 137 2HD PRO 20 2HD PRO 20 1.534 7.847 0.303 138 H TRP 21 H TRP 21 -2.517 4.500 1.856 139 HA TRP 21 HA TRP 21 -2.191 2.320 -0.096 140 1HB TRP 21 1HB TRP 21 -3.159 2.123 2.759 141 2HB TRP 21 2HB TRP 21 -3.408 0.851 1.566 142 HD1 TRP 21 HD1 TRP 21 -0.306 2.871 2.781 143 HE1 TRP 21 HE1 TRP 21 1.634 1.209 3.095 144 HE3 TRP 21 HE3 TRP 21 -2.691 -1.432 1.393 145 HZ2 TRP 21 HZ2 TRP 21 2.092 -1.560 2.795 146 HZ3 TRP 21 HZ3 TRP 21 -1.431 -3.545 1.434 147 HH2 TRP 21 HH2 TRP 21 0.912 -3.605 2.120 148 H THR 22 H THR 22 -3.939 1.850 -1.319 149 HA THR 22 HA THR 22 -6.165 3.679 -1.232 150 HB THR 22 HB THR 22 -6.769 2.898 -3.329 151 HG1 THR 22 HG1 THR 22 -5.814 0.454 -2.365 152 1HG2 THR 22 1HG2 THR 22 -4.229 3.619 -3.024 153 2HG2 THR 22 2HG2 THR 22 -4.869 3.101 -4.584 154 3HG2 THR 22 3HG2 THR 22 -3.957 1.969 -3.585 155 H GLN 23 H GLN 23 -8.418 2.646 -1.671 156 HA GLN 23 HA GLN 23 -9.267 1.382 0.661 157 1HB GLN 23 1HB GLN 23 -11.380 0.915 -0.646 158 2HB GLN 23 2HB GLN 23 -10.867 2.596 -0.604 159 1HG GLN 23 1HG GLN 23 -9.885 2.340 -2.836 160 2HG GLN 23 2HG GLN 23 -10.445 0.669 -2.877 161 1HE2 GLN 23 1HE2 GLN 23 -12.337 0.311 -3.787 162 2HE2 GLN 23 2HE2 GLN 23 -13.573 1.487 -4.060 163 H ASN 24 H ASN 24 -8.690 0.005 -2.565 164 HA ASN 24 HA ASN 24 -9.388 -2.643 -1.879 165 1HB ASN 24 1HB ASN 24 -8.971 -1.461 -4.218 166 2HB ASN 24 2HB ASN 24 -7.353 -2.122 -4.000 167 1HD2 ASN 24 1HD2 ASN 24 -10.692 -3.220 -3.488 168 2HD2 ASN 24 2HD2 ASN 24 -10.489 -4.745 -4.274 169 H GLN 25 H GLN 25 -6.122 -1.400 -2.601 170 HA GLN 25 HA GLN 25 -4.560 -3.429 -1.809 171 1HB GLN 25 1HB GLN 25 -4.249 -0.477 -1.515 172 2HB GLN 25 2HB GLN 25 -3.058 -1.519 -0.749 173 1HG GLN 25 1HG GLN 25 -2.264 -0.864 -2.911 174 2HG GLN 25 2HG GLN 25 -2.634 -2.587 -2.928 175 1HE2 GLN 25 1HE2 GLN 25 -2.894 0.183 -4.641 176 2HE2 GLN 25 2HE2 GLN 25 -4.246 -0.211 -5.641 177 H GLN 26 H GLN 26 -5.738 -0.948 0.468 178 HA GLN 26 HA GLN 26 -4.736 -2.089 2.797 179 1HB GLN 26 1HB GLN 26 -5.655 0.181 2.697 180 2HB GLN 26 2HB GLN 26 -7.268 -0.474 2.445 181 1HG GLN 26 1HG GLN 26 -7.103 0.168 4.720 182 2HG GLN 26 2HG GLN 26 -7.078 -1.594 4.664 183 1HE2 GLN 26 1HE2 GLN 26 -4.868 -2.574 4.634 184 2HE2 GLN 26 2HE2 GLN 26 -3.670 -1.854 5.649 185 H LYS 27 H LYS 27 -7.658 -2.803 0.996 186 HA LYS 27 HA LYS 27 -8.822 -4.474 3.001 187 1HB LYS 27 1HB LYS 27 -10.328 -3.528 1.440 188 2HB LYS 27 2HB LYS 27 -9.363 -4.055 0.068 189 1HG LYS 27 1HG LYS 27 -9.981 -6.346 0.442 190 2HG LYS 27 2HG LYS 27 -10.820 -5.915 1.935 191 1HD LYS 27 1HD LYS 27 -12.113 -4.289 0.273 192 2HD LYS 27 2HD LYS 27 -11.637 -5.525 -0.893 193 1HE LYS 27 1HE LYS 27 -13.608 -6.430 -0.211 194 2HE LYS 27 2HE LYS 27 -12.553 -7.127 1.018 195 1HZ LYS 27 1HZ LYS 27 -13.333 -5.706 2.622 196 2HZ LYS 27 2HZ LYS 27 -14.735 -5.942 1.708 197 3HZ LYS 27 3HZ LYS 27 -13.830 -4.526 1.516 198 H LEU 28 H LEU 28 -7.274 -5.199 -0.132 199 HA LEU 28 HA LEU 28 -7.283 -7.945 -0.008 200 1HB LEU 28 1HB LEU 28 -5.148 -6.126 -1.109 201 2HB LEU 28 2HB LEU 28 -5.241 -7.858 -1.424 202 HG LEU 28 HG LEU 28 -7.380 -5.882 -2.207 203 1HD1 LEU 28 1HD1 LEU 28 -5.745 -7.130 -4.296 204 2HD1 LEU 28 2HD1 LEU 28 -4.895 -5.953 -3.295 205 3HD1 LEU 28 3HD1 LEU 28 -6.357 -5.481 -4.160 206 1HD2 LEU 28 1HD2 LEU 28 -7.939 -8.345 -1.853 207 2HD2 LEU 28 2HD2 LEU 28 -6.927 -8.657 -3.264 208 3HD2 LEU 28 3HD2 LEU 28 -8.360 -7.638 -3.414 209 H LEU 29 H LEU 29 -5.153 -5.691 1.627 210 HA LEU 29 HA LEU 29 -3.239 -7.587 2.504 211 1HB LEU 29 1HB LEU 29 -2.725 -5.233 2.466 212 2HB LEU 29 2HB LEU 29 -4.023 -4.895 3.609 213 HG LEU 29 HG LEU 29 -2.739 -6.287 5.285 214 1HD1 LEU 29 1HD1 LEU 29 -1.274 -7.121 3.197 215 2HD1 LEU 29 2HD1 LEU 29 -0.684 -7.113 4.859 216 3HD1 LEU 29 3HD1 LEU 29 -0.260 -5.795 3.766 217 1HD2 LEU 29 1HD2 LEU 29 -0.935 -4.072 4.617 218 2HD2 LEU 29 2HD2 LEU 29 -1.850 -4.389 6.090 219 3HD2 LEU 29 3HD2 LEU 29 -2.642 -3.638 4.704 220 H GLU 30 H GLU 30 -5.808 -5.932 4.353 221 HA GLU 30 HA GLU 30 -5.643 -7.283 6.714 222 1HB GLU 30 1HB GLU 30 -8.131 -6.374 5.264 223 2HB GLU 30 2HB GLU 30 -8.115 -6.905 6.939 224 1HG GLU 30 1HG GLU 30 -6.803 -5.072 7.616 225 2HG GLU 30 2HG GLU 30 -6.399 -4.651 5.953 226 H LEU 31 H LEU 31 -7.746 -8.249 3.998 227 HA LEU 31 HA LEU 31 -8.647 -10.648 5.073 228 1HB LEU 31 1HB LEU 31 -8.313 -9.617 2.293 229 2HB LEU 31 2HB LEU 31 -8.770 -11.301 2.541 230 HG LEU 31 HG LEU 31 -10.723 -9.922 2.106 231 1HD1 LEU 31 1HD1 LEU 31 -11.367 -10.328 4.865 232 2HD1 LEU 31 2HD1 LEU 31 -10.367 -11.659 4.283 233 3HD1 LEU 31 3HD1 LEU 31 -11.869 -11.257 3.452 234 1HD2 LEU 31 1HD2 LEU 31 -11.368 -8.302 4.000 235 2HD2 LEU 31 2HD2 LEU 31 -10.181 -7.771 2.808 236 3HD2 LEU 31 3HD2 LEU 31 -9.650 -8.318 4.399 237 H ALA 32 H ALA 32 -5.702 -9.930 3.282 238 HA ALA 32 HA ALA 32 -4.859 -12.604 2.912 239 1HB ALA 32 1HB ALA 32 -3.024 -10.234 3.139 240 2HB ALA 32 2HB ALA 32 -2.792 -11.715 2.208 241 3HB ALA 32 3HB ALA 32 -4.010 -10.541 1.709 242 H LEU 33 H LEU 33 -4.171 -10.201 5.426 243 HA LEU 33 HA LEU 33 -2.236 -11.490 6.881 244 1HB LEU 33 1HB LEU 33 -4.435 -9.622 7.560 245 2HB LEU 33 2HB LEU 33 -3.629 -10.440 8.896 246 HG LEU 33 HG LEU 33 -2.810 -8.103 8.213 247 1HD1 LEU 33 1HD1 LEU 33 -1.334 -8.896 9.694 248 2HD1 LEU 33 2HD1 LEU 33 -0.327 -9.232 8.286 249 3HD1 LEU 33 3HD1 LEU 33 -1.331 -10.507 8.976 250 1HD2 LEU 33 1HD2 LEU 33 -0.985 -8.272 6.458 251 2HD2 LEU 33 2HD2 LEU 33 -2.648 -8.275 5.870 252 3HD2 LEU 33 3HD2 LEU 33 -1.742 -9.786 5.962 253 H GLN 34 H GLN 34 -5.755 -11.910 7.174 254 HA GLN 34 HA GLN 34 -5.787 -13.745 9.254 255 1HB GLN 34 1HB GLN 34 -7.651 -13.682 6.876 256 2HB GLN 34 2HB GLN 34 -7.982 -14.424 8.435 257 1HG GLN 34 1HG GLN 34 -7.474 -11.970 9.290 258 2HG GLN 34 2HG GLN 34 -7.982 -11.569 7.651 259 1HE2 GLN 34 1HE2 GLN 34 -9.845 -10.544 8.336 260 2HE2 GLN 34 2HE2 GLN 34 -11.201 -11.406 8.969 261 H GLN 35 H GLN 35 -5.588 -14.357 5.759 262 HA GLN 35 HA GLN 35 -5.500 -17.170 5.958 263 1HB GLN 35 1HB GLN 35 -4.929 -15.158 3.852 264 2HB GLN 35 2HB GLN 35 -4.225 -16.755 3.634 265 1HG GLN 35 1HG GLN 35 -7.103 -16.593 4.331 266 2HG GLN 35 2HG GLN 35 -6.615 -16.128 2.702 267 1HE2 GLN 35 1HE2 GLN 35 -4.616 -17.855 2.145 268 2HE2 GLN 35 2HE2 GLN 35 -5.206 -19.479 2.133 269 H TYR 36 H TYR 36 -2.940 -14.727 5.720 270 HA TYR 36 HA TYR 36 -1.051 -16.731 6.749 271 1HB TYR 36 1HB TYR 36 -0.157 -14.662 4.767 272 2HB TYR 36 2HB TYR 36 0.607 -16.188 5.197 273 HD1 TYR 36 HD1 TYR 36 -2.295 -14.721 3.410 274 HD2 TYR 36 HD2 TYR 36 0.170 -18.144 3.962 275 HE1 TYR 36 HE1 TYR 36 -3.355 -15.790 1.465 276 HE2 TYR 36 HE2 TYR 36 -0.882 -19.223 2.019 277 HH TYR 36 HH TYR 36 -2.187 -18.848 0.187 278 HA PRO 37 HA PRO 37 -0.887 -13.158 9.568 279 1HB PRO 37 1HB PRO 37 -0.056 -14.622 11.698 280 2HB PRO 37 2HB PRO 37 -1.754 -14.499 11.220 281 1HG PRO 37 1HG PRO 37 0.218 -16.682 10.664 282 2HG PRO 37 2HG PRO 37 -1.481 -16.807 11.157 283 1HD PRO 37 1HD PRO 37 -0.681 -17.133 8.591 284 2HD PRO 37 2HD PRO 37 -2.260 -16.442 9.019 285 H ARG 38 H ARG 38 0.973 -12.680 11.259 286 HA ARG 38 HA ARG 38 3.383 -12.485 9.725 287 1HB ARG 38 1HB ARG 38 4.209 -11.110 11.471 288 2HB ARG 38 2HB ARG 38 2.496 -10.737 11.328 289 1HG ARG 38 1HG ARG 38 2.248 -12.538 13.205 290 2HG ARG 38 2HG ARG 38 3.950 -12.169 13.496 291 1HD ARG 38 1HD ARG 38 3.442 -9.849 13.855 292 2HD ARG 38 2HD ARG 38 1.763 -10.099 13.377 293 HE ARG 38 HE ARG 38 1.322 -10.803 15.500 294 1HH1 ARG 38 1HH1 ARG 38 4.748 -11.052 14.934 295 2HH1 ARG 38 2HH1 ARG 38 5.117 -11.498 16.567 296 1HH2 ARG 38 1HH2 ARG 38 1.795 -11.389 17.653 297 2HH2 ARG 38 2HH2 ARG 38 3.437 -11.690 18.113 298 H GLY 39 H GLY 39 5.527 -12.889 11.053 299 1HA GLY 39 1HA GLY 39 6.078 -14.679 12.923 300 2HA GLY 39 2HA GLY 39 5.507 -15.748 11.650 301 H SER 40 H SER 40 8.040 -16.043 12.624 302 HA SER 40 HA SER 40 9.955 -14.602 11.053 303 1HB SER 40 1HB SER 40 10.231 -15.824 13.372 304 2HB SER 40 2HB SER 40 10.603 -17.218 12.358 305 HG SER 40 HG SER 40 11.975 -14.769 12.583 306 H SER 41 H SER 41 8.242 -15.460 9.220 307 HA SER 41 HA SER 41 9.825 -17.372 7.697 308 1HB SER 41 1HB SER 41 7.795 -18.452 9.028 309 2HB SER 41 2HB SER 41 6.874 -17.822 7.663 310 HG SER 41 HG SER 41 8.756 -18.932 6.448 311 H ASP 42 H ASP 42 9.217 -17.422 5.406 312 HA ASP 42 HA ASP 42 8.804 -14.803 4.396 313 1HB ASP 42 1HB ASP 42 8.721 -17.420 2.882 314 2HB ASP 42 2HB ASP 42 8.973 -15.818 2.194 315 H CYS 43 H CYS 43 6.622 -16.889 5.662 316 HA CYS 43 HA CYS 43 4.473 -17.267 4.143 317 1HB CYS 43 1HB CYS 43 4.603 -16.109 6.918 318 2HB CYS 43 2HB CYS 43 3.059 -16.447 6.144 319 HG CYS 43 HG CYS 43 3.632 -18.527 7.913 320 H TRP 44 H TRP 44 5.291 -14.095 5.527 321 HA TRP 44 HA TRP 44 3.234 -12.535 4.741 322 1HB TRP 44 1HB TRP 44 6.192 -11.972 4.667 323 2HB TRP 44 2HB TRP 44 5.008 -10.734 4.260 324 HD1 TRP 44 HD1 TRP 44 6.465 -12.626 7.214 325 HE1 TRP 44 HE1 TRP 44 5.613 -11.559 9.396 326 HE3 TRP 44 HE3 TRP 44 2.968 -9.452 5.255 327 HZ2 TRP 44 HZ2 TRP 44 3.710 -9.628 10.183 328 HZ3 TRP 44 HZ3 TRP 44 1.674 -8.030 6.790 329 HH2 TRP 44 HH2 TRP 44 2.038 -8.118 9.203 330 H ASP 45 H ASP 45 5.944 -13.489 2.644 331 HA ASP 45 HA ASP 45 5.582 -12.207 0.351 332 1HB ASP 45 1HB ASP 45 6.164 -15.070 0.907 333 2HB ASP 45 2HB ASP 45 5.801 -14.632 -0.760 334 H LYS 46 H LYS 46 3.698 -15.172 0.985 335 HA LYS 46 HA LYS 46 1.971 -15.102 -1.120 336 1HB LYS 46 1HB LYS 46 1.586 -15.974 1.727 337 2HB LYS 46 2HB LYS 46 0.259 -16.079 0.577 338 1HG LYS 46 1HG LYS 46 1.190 -17.801 -0.552 339 2HG LYS 46 2HG LYS 46 2.839 -17.232 -0.280 340 1HD LYS 46 1HD LYS 46 1.088 -18.496 1.827 341 2HD LYS 46 2HD LYS 46 2.319 -19.354 0.897 342 1HE LYS 46 1HE LYS 46 3.849 -17.392 1.780 343 2HE LYS 46 2HE LYS 46 2.627 -17.320 3.048 344 1HZ LYS 46 1HZ LYS 46 3.607 -19.973 2.424 345 2HZ LYS 46 2HZ LYS 46 3.301 -19.257 3.925 346 3HZ LYS 46 3HZ LYS 46 4.750 -18.934 3.113 347 H ILE 47 H ILE 47 1.628 -13.333 1.934 348 HA ILE 47 HA ILE 47 -0.874 -12.210 1.527 349 HB ILE 47 HB ILE 47 1.493 -10.921 2.890 350 1HG1 ILE 47 1HG1 ILE 47 -0.759 -12.427 4.209 351 2HG1 ILE 47 2HG1 ILE 47 0.701 -13.245 3.662 352 1HG2 ILE 47 1HG2 ILE 47 0.173 -9.236 3.530 353 2HG2 ILE 47 2HG2 ILE 47 -0.903 -9.756 2.235 354 3HG2 ILE 47 3HG2 ILE 47 -1.178 -10.313 3.885 355 1HD1 ILE 47 1HD1 ILE 47 1.485 -12.805 5.696 356 2HD1 ILE 47 2HD1 ILE 47 1.703 -11.154 5.112 357 3HD1 ILE 47 3HD1 ILE 47 0.247 -11.589 6.009 358 H ALA 48 H ALA 48 2.304 -10.989 0.523 359 HA ALA 48 HA ALA 48 1.492 -8.560 -0.569 360 1HB ALA 48 1HB ALA 48 3.640 -8.356 -1.137 361 2HB ALA 48 2HB ALA 48 3.873 -9.913 -0.341 362 3HB ALA 48 3HB ALA 48 3.621 -9.843 -2.085 363 H ARG 49 H ARG 49 1.409 -11.803 -1.915 364 HA ARG 49 HA ARG 49 1.038 -11.311 -4.592 365 1HB ARG 49 1HB ARG 49 -0.424 -13.379 -2.941 366 2HB ARG 49 2HB ARG 49 -0.205 -13.418 -4.685 367 1HG ARG 49 1HG ARG 49 2.192 -13.648 -4.407 368 2HG ARG 49 2HG ARG 49 2.016 -13.531 -2.655 369 1HD ARG 49 1HD ARG 49 0.559 -15.562 -2.751 370 2HD ARG 49 2HD ARG 49 0.976 -15.710 -4.458 371 HE ARG 49 HE ARG 49 3.229 -15.590 -2.651 372 1HH1 ARG 49 1HH1 ARG 49 0.968 -17.619 -4.351 373 2HH1 ARG 49 2HH1 ARG 49 1.984 -19.021 -4.295 374 1HH2 ARG 49 1HH2 ARG 49 4.576 -17.429 -2.570 375 2HH2 ARG 49 2HH2 ARG 49 4.036 -18.912 -3.281 376 H CYS 50 H CYS 50 -1.505 -11.476 -2.101 377 HA CYS 50 HA CYS 50 -3.657 -10.853 -3.775 378 1HB CYS 50 1HB CYS 50 -3.538 -11.641 -1.254 379 2HB CYS 50 2HB CYS 50 -3.655 -9.914 -0.938 380 HG CYS 50 HG CYS 50 -6.213 -9.934 -0.986 381 H VAL 51 H VAL 51 -1.084 -8.915 -2.746 382 HA VAL 51 HA VAL 51 -2.584 -6.455 -3.368 383 HB VAL 51 HB VAL 51 0.063 -6.474 -1.949 384 1HG1 VAL 51 1HG1 VAL 51 -2.006 -4.508 -1.281 385 2HG1 VAL 51 2HG1 VAL 51 -0.293 -4.279 -1.636 386 3HG1 VAL 51 3HG1 VAL 51 -1.452 -4.449 -2.954 387 1HG2 VAL 51 1HG2 VAL 51 -0.988 -6.605 0.174 388 2HG2 VAL 51 2HG2 VAL 51 -2.598 -6.533 -0.541 389 3HG2 VAL 51 3HG2 VAL 51 -1.595 -7.965 -0.770 390 HA PRO 52 HA PRO 52 0.177 -6.979 -6.982 391 1HB PRO 52 1HB PRO 52 -1.490 -5.695 -8.697 392 2HB PRO 52 2HB PRO 52 -1.663 -7.406 -8.290 393 1HG PRO 52 1HG PRO 52 -3.145 -5.041 -7.206 394 2HG PRO 52 2HG PRO 52 -3.770 -6.630 -7.685 395 1HD PRO 52 1HD PRO 52 -3.319 -5.961 -5.100 396 2HD PRO 52 2HD PRO 52 -3.129 -7.619 -5.705 397 H SER 53 H SER 53 -0.649 -4.491 -4.998 398 HA SER 53 HA SER 53 0.656 -2.446 -6.660 399 1HB SER 53 1HB SER 53 -1.378 -1.533 -5.967 400 2HB SER 53 2HB SER 53 -1.292 -2.294 -4.379 401 HG SER 53 HG SER 53 -0.183 0.077 -5.278 402 H LYS 54 H LYS 54 0.567 -3.651 -3.311 403 HA LYS 54 HA LYS 54 3.260 -2.556 -2.899 404 1HB LYS 54 1HB LYS 54 1.412 -3.671 -0.791 405 2HB LYS 54 2HB LYS 54 2.844 -2.680 -0.548 406 1HG LYS 54 1HG LYS 54 0.437 -1.677 -2.035 407 2HG LYS 54 2HG LYS 54 0.593 -1.545 -0.282 408 1HD LYS 54 1HD LYS 54 2.359 -0.054 -0.422 409 2HD LYS 54 2HD LYS 54 2.800 -0.573 -2.051 410 1HE LYS 54 1HE LYS 54 0.484 0.388 -2.711 411 2HE LYS 54 2HE LYS 54 0.588 1.246 -1.174 412 1HZ LYS 54 1HZ LYS 54 2.202 1.573 -3.598 413 2HZ LYS 54 2HZ LYS 54 2.933 1.880 -2.104 414 3HZ LYS 54 3HZ LYS 54 1.557 2.749 -2.566 415 H SER 55 H SER 55 4.960 -3.833 -2.228 416 HA SER 55 HA SER 55 4.741 -6.637 -2.904 417 1HB SER 55 1HB SER 55 7.018 -4.792 -2.243 418 2HB SER 55 2HB SER 55 7.263 -6.538 -2.247 419 HG SER 55 HG SER 55 7.066 -4.833 -4.334 420 H LYS 56 H LYS 56 6.157 -8.127 -1.391 421 HA LYS 56 HA LYS 56 4.721 -8.609 0.920 422 1HB LYS 56 1HB LYS 56 6.116 -10.319 -0.044 423 2HB LYS 56 2HB LYS 56 7.564 -9.359 0.229 424 1HG LYS 56 1HG LYS 56 5.857 -10.189 2.536 425 2HG LYS 56 2HG LYS 56 7.010 -11.319 1.822 426 1HD LYS 56 1HD LYS 56 8.626 -9.222 2.075 427 2HD LYS 56 2HD LYS 56 7.489 -8.827 3.366 428 1HE LYS 56 1HE LYS 56 7.887 -10.957 4.425 429 2HE LYS 56 2HE LYS 56 8.908 -11.473 3.084 430 1HZ LYS 56 1HZ LYS 56 9.706 -10.169 5.381 431 2HZ LYS 56 2HZ LYS 56 9.832 -9.016 4.150 432 3HZ LYS 56 3HZ LYS 56 10.647 -10.492 4.013 433 H GLU 57 H GLU 57 7.988 -7.180 0.747 434 HA GLU 57 HA GLU 57 8.373 -6.578 3.388 435 1HB GLU 57 1HB GLU 57 9.218 -5.157 0.881 436 2HB GLU 57 2HB GLU 57 9.649 -4.517 2.460 437 1HG GLU 57 1HG GLU 57 10.822 -6.561 3.005 438 2HG GLU 57 2HG GLU 57 10.331 -7.276 1.471 439 H ASP 58 H ASP 58 6.514 -4.742 1.015 440 HA ASP 58 HA ASP 58 5.984 -2.504 2.655 441 1HB ASP 58 1HB ASP 58 4.587 -3.649 0.240 442 2HB ASP 58 2HB ASP 58 4.016 -2.192 1.050 443 H CYS 59 H CYS 59 4.251 -5.537 2.118 444 HA CYS 59 HA CYS 59 1.896 -4.993 3.467 445 1HB CYS 59 1HB CYS 59 3.468 -7.533 3.102 446 2HB CYS 59 2HB CYS 59 1.956 -7.519 4.001 447 HG CYS 59 HG CYS 59 1.260 -8.462 1.540 448 H ILE 60 H ILE 60 4.961 -6.213 4.775 449 HA ILE 60 HA ILE 60 4.061 -6.447 7.447 450 HB ILE 60 HB ILE 60 6.857 -6.117 6.357 451 1HG1 ILE 60 1HG1 ILE 60 5.787 -8.650 7.518 452 2HG1 ILE 60 2HG1 ILE 60 5.267 -8.195 5.899 453 1HG2 ILE 60 1HG2 ILE 60 6.094 -7.089 9.100 454 2HG2 ILE 60 2HG2 ILE 60 7.706 -6.729 8.484 455 3HG2 ILE 60 3HG2 ILE 60 6.555 -5.421 8.758 456 1HD1 ILE 60 1HD1 ILE 60 7.868 -9.162 6.850 457 2HD1 ILE 60 2HD1 ILE 60 7.084 -9.349 5.281 458 3HD1 ILE 60 3HD1 ILE 60 7.930 -7.852 5.672 459 H ALA 61 H ALA 61 5.752 -3.871 5.699 460 HA ALA 61 HA ALA 61 6.280 -2.150 7.811 461 1HB ALA 61 1HB ALA 61 7.087 -1.881 5.474 462 2HB ALA 61 2HB ALA 61 5.479 -1.306 5.031 463 3HB ALA 61 3HB ALA 61 6.453 -0.397 6.186 464 H ARG 62 H ARG 62 3.274 -2.853 6.206 465 HA ARG 62 HA ARG 62 1.898 -0.565 7.312 466 1HB ARG 62 1HB ARG 62 1.343 -1.644 5.090 467 2HB ARG 62 2HB ARG 62 0.670 -2.989 6.000 468 1HG ARG 62 1HG ARG 62 -1.144 -1.606 5.414 469 2HG ARG 62 2HG ARG 62 -0.841 -1.319 7.129 470 1HD ARG 62 1HD ARG 62 0.617 0.640 6.331 471 2HD ARG 62 2HD ARG 62 -0.201 0.438 4.782 472 HE ARG 62 HE ARG 62 -2.201 0.583 6.664 473 1HH1 ARG 62 1HH1 ARG 62 0.420 2.615 5.607 474 2HH1 ARG 62 2HH1 ARG 62 -0.400 4.093 5.988 475 1HH2 ARG 62 1HH2 ARG 62 -3.291 2.522 7.171 476 2HH2 ARG 62 2HH2 ARG 62 -2.510 4.039 6.879 477 H TYR 63 H TYR 63 1.996 -4.062 7.872 478 HA TYR 63 HA TYR 63 0.012 -4.402 9.714 479 1HB TYR 63 1HB TYR 63 1.409 -6.239 8.897 480 2HB TYR 63 2HB TYR 63 2.781 -5.620 9.810 481 HD1 TYR 63 HD1 TYR 63 -0.625 -7.048 10.174 482 HD2 TYR 63 HD2 TYR 63 3.095 -6.217 12.064 483 HE1 TYR 63 HE1 TYR 63 -1.315 -8.397 12.111 484 HE2 TYR 63 HE2 TYR 63 2.415 -7.565 14.006 485 HH TYR 63 HH TYR 63 -0.645 -8.417 14.672 486 H LYS 64 H LYS 64 3.220 -3.040 10.262 487 HA LYS 64 HA LYS 64 3.330 -2.924 12.999 488 1HB LYS 64 1HB LYS 64 4.231 -0.885 10.962 489 2HB LYS 64 2HB LYS 64 4.634 -0.782 12.671 490 1HG LYS 64 1HG LYS 64 6.109 -2.514 12.573 491 2HG LYS 64 2HG LYS 64 5.254 -3.313 11.250 492 1HD LYS 64 1HD LYS 64 6.056 -1.567 9.709 493 2HD LYS 64 2HD LYS 64 6.948 -0.823 11.038 494 1HE LYS 64 1HE LYS 64 7.989 -3.211 11.278 495 2HE LYS 64 2HE LYS 64 7.458 -3.394 9.607 496 1HZ LYS 64 1HZ LYS 64 9.277 -1.290 10.650 497 2HZ LYS 64 2HZ LYS 64 8.722 -1.385 9.055 498 3HZ LYS 64 3HZ LYS 64 9.716 -2.603 9.677 499 H LEU 65 H LEU 65 1.786 -0.555 10.839 500 HA LEU 65 HA LEU 65 0.812 1.080 12.951 501 1HB LEU 65 1HB LEU 65 -0.218 0.874 10.127 502 2HB LEU 65 2HB LEU 65 -0.474 2.209 11.249 503 HG LEU 65 HG LEU 65 2.182 2.284 11.163 504 1HD1 LEU 65 1HD1 LEU 65 2.963 0.794 9.687 505 2HD1 LEU 65 2HD1 LEU 65 2.428 1.954 8.472 506 3HD1 LEU 65 3HD1 LEU 65 1.394 0.594 8.907 507 1HD2 LEU 65 1HD2 LEU 65 0.561 4.082 10.595 508 2HD2 LEU 65 2HD2 LEU 65 0.466 3.423 8.961 509 3HD2 LEU 65 3HD2 LEU 65 1.994 4.065 9.567 510 H LEU 66 H LEU 66 -0.573 -1.548 11.044 511 HA LEU 66 HA LEU 66 -3.225 -1.373 11.828 512 1HB LEU 66 1HB LEU 66 -1.447 -3.581 10.941 513 2HB LEU 66 2HB LEU 66 -3.007 -4.010 11.640 514 HG LEU 66 HG LEU 66 -3.853 -2.230 9.847 515 1HD1 LEU 66 1HD1 LEU 66 -1.651 -1.664 9.014 516 2HD1 LEU 66 2HD1 LEU 66 -2.578 -2.490 7.762 517 3HD1 LEU 66 3HD1 LEU 66 -1.326 -3.359 8.650 518 1HD2 LEU 66 1HD2 LEU 66 -4.880 -4.238 9.635 519 2HD2 LEU 66 2HD2 LEU 66 -3.374 -5.148 9.758 520 3HD2 LEU 66 3HD2 LEU 66 -3.808 -4.362 8.239 521 H VAL 67 H VAL 67 -0.507 -2.944 13.462 522 HA VAL 67 HA VAL 67 -2.192 -3.785 15.670 523 HB VAL 67 HB VAL 67 -0.126 -4.717 16.631 524 1HG1 VAL 67 1HG1 VAL 67 -0.538 -6.534 15.424 525 2HG1 VAL 67 2HG1 VAL 67 -1.445 -5.536 14.285 526 3HG1 VAL 67 3HG1 VAL 67 0.274 -5.832 14.025 527 1HG2 VAL 67 1HG2 VAL 67 1.317 -2.884 15.583 528 2HG2 VAL 67 2HG2 VAL 67 1.984 -4.516 15.631 529 3HG2 VAL 67 3HG2 VAL 67 1.310 -3.883 14.129 530 H SER 68 H SER 68 0.025 -1.224 14.883 531 HA SER 68 HA SER 68 0.880 -0.292 17.301 532 1HB SER 68 1HB SER 68 1.256 0.689 14.949 533 2HB SER 68 2HB SER 68 -0.223 1.605 15.235 534 HG SER 68 HG SER 68 0.863 2.307 17.239 535 H GLY 69 H GLY 69 -2.282 0.330 15.803 536 1HA GLY 69 1HA GLY 69 -4.214 0.268 17.340 537 2HA GLY 69 2HA GLY 69 -3.239 1.209 18.459 538 HA PRO 70 HA PRO 70 -5.147 4.830 16.866 539 1HB PRO 70 1HB PRO 70 -3.292 6.667 17.608 540 2HB PRO 70 2HB PRO 70 -4.384 5.887 18.758 541 1HG PRO 70 1HG PRO 70 -1.530 5.246 18.122 542 2HG PRO 70 2HG PRO 70 -2.334 5.325 19.701 543 1HD PRO 70 1HD PRO 70 -1.840 2.984 18.432 544 2HD PRO 70 2HD PRO 70 -3.256 3.225 19.477 545 H SER 71 H SER 71 -5.218 5.799 14.929 546 HA SER 71 HA SER 71 -2.724 6.140 13.415 547 1HB SER 71 1HB SER 71 -5.272 4.856 12.419 548 2HB SER 71 2HB SER 71 -3.999 5.437 11.346 549 HG SER 71 HG SER 71 -3.171 3.789 13.408 550 H SER 72 H SER 72 -4.059 8.119 14.867 551 HA SER 72 HA SER 72 -5.127 9.803 12.698 552 1HB SER 72 1HB SER 72 -6.855 9.143 14.390 553 2HB SER 72 2HB SER 72 -5.905 9.979 15.617 554 HG SER 72 HG SER 72 -7.728 11.091 14.307 555 H GLY 73 H GLY 73 -3.093 10.690 12.248 556 1HA GLY 73 1HA GLY 73 -2.220 12.673 14.234 557 2HA GLY 73 2HA GLY 73 -1.030 11.575 13.550 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -15.424 10.376 -12.187 2 1HA GLY 1 1HA GLY 1 -15.649 9.327 -9.724 3 2HA GLY 1 2HA GLY 1 -14.869 8.444 -11.028 4 H SER 2 H SER 2 -13.113 7.504 -10.224 5 HA SER 2 HA SER 2 -11.375 9.090 -8.449 6 1HB SER 2 1HB SER 2 -12.302 7.099 -7.353 7 2HB SER 2 2HB SER 2 -11.655 6.079 -8.639 8 HG SER 2 HG SER 2 -10.079 7.730 -6.952 9 H SER 3 H SER 3 -9.033 8.487 -8.583 10 HA SER 3 HA SER 3 -8.239 8.479 -11.379 11 1HB SER 3 1HB SER 3 -7.284 10.127 -9.765 12 2HB SER 3 2HB SER 3 -6.511 8.791 -8.912 13 HG SER 3 HG SER 3 -5.733 8.375 -11.274 14 H GLY 4 H GLY 4 -7.180 6.757 -8.432 15 1HA GLY 4 1HA GLY 4 -5.495 4.897 -9.396 16 2HA GLY 4 2HA GLY 4 -6.689 4.505 -8.168 17 H SER 5 H SER 5 -5.490 3.487 -11.004 18 HA SER 5 HA SER 5 -7.994 2.116 -11.693 19 1HB SER 5 1HB SER 5 -7.439 2.343 -14.102 20 2HB SER 5 2HB SER 5 -7.731 3.902 -13.331 21 HG SER 5 HG SER 5 -5.705 3.397 -14.747 22 H SER 6 H SER 6 -7.504 0.249 -13.265 23 HA SER 6 HA SER 6 -5.683 -1.499 -11.985 24 1HB SER 6 1HB SER 6 -6.238 -3.040 -13.911 25 2HB SER 6 2HB SER 6 -7.632 -2.442 -13.011 26 HG SER 6 HG SER 6 -6.804 -0.930 -15.192 27 H GLY 7 H GLY 7 -3.750 -2.407 -12.729 28 1HA GLY 7 1HA GLY 7 -2.019 -2.639 -14.384 29 2HA GLY 7 2HA GLY 7 -2.496 -1.080 -15.039 30 H SER 8 H SER 8 0.145 -2.017 -14.196 31 HA SER 8 HA SER 8 0.711 -0.491 -11.786 32 1HB SER 8 1HB SER 8 3.031 -1.332 -12.097 33 2HB SER 8 2HB SER 8 1.839 -2.631 -12.044 34 HG SER 8 HG SER 8 2.045 -2.924 -14.203 35 H LEU 9 H LEU 9 1.147 1.601 -11.860 36 HA LEU 9 HA LEU 9 1.621 2.975 -14.317 37 1HB LEU 9 1HB LEU 9 0.460 3.810 -12.169 38 2HB LEU 9 2HB LEU 9 2.093 4.147 -11.599 39 HG LEU 9 HG LEU 9 1.010 6.148 -12.493 40 1HD1 LEU 9 1HD1 LEU 9 3.010 5.661 -14.587 41 2HD1 LEU 9 2HD1 LEU 9 3.551 5.329 -12.942 42 3HD1 LEU 9 3HD1 LEU 9 2.929 6.925 -13.360 43 1HD2 LEU 9 1HD2 LEU 9 1.018 4.757 -15.165 44 2HD2 LEU 9 2HD2 LEU 9 0.382 6.357 -14.783 45 3HD2 LEU 9 3HD2 LEU 9 -0.412 4.917 -14.145 46 H ARG 10 H ARG 10 3.616 2.528 -11.393 47 HA ARG 10 HA ARG 10 5.993 2.140 -12.925 48 1HB ARG 10 1HB ARG 10 5.457 4.725 -12.828 49 2HB ARG 10 2HB ARG 10 6.151 4.586 -11.218 50 1HG ARG 10 1HG ARG 10 8.168 3.537 -12.298 51 2HG ARG 10 2HG ARG 10 7.474 4.006 -13.852 52 1HD ARG 10 1HD ARG 10 7.722 6.071 -11.724 53 2HD ARG 10 2HD ARG 10 9.182 5.560 -12.570 54 HE ARG 10 HE ARG 10 8.411 6.592 -14.485 55 1HH1 ARG 10 1HH1 ARG 10 5.908 6.525 -12.067 56 2HH1 ARG 10 2HH1 ARG 10 4.873 7.621 -12.920 57 1HH2 ARG 10 1HH2 ARG 10 7.058 8.037 -15.618 58 2HH2 ARG 10 2HH2 ARG 10 5.528 8.480 -14.941 59 H LYS 11 H LYS 11 7.836 1.636 -11.603 60 HA LYS 11 HA LYS 11 7.058 0.451 -9.078 61 1HB LYS 11 1HB LYS 11 9.683 0.418 -10.577 62 2HB LYS 11 2HB LYS 11 9.364 -0.482 -9.100 63 1HG LYS 11 1HG LYS 11 7.673 -1.792 -10.212 64 2HG LYS 11 2HG LYS 11 7.852 -0.831 -11.681 65 1HD LYS 11 1HD LYS 11 9.090 -2.792 -12.074 66 2HD LYS 11 2HD LYS 11 10.292 -1.563 -11.672 67 1HE LYS 11 1HE LYS 11 10.761 -2.499 -9.628 68 2HE LYS 11 2HE LYS 11 9.169 -3.242 -9.482 69 1HZ LYS 11 1HZ LYS 11 10.608 -5.008 -9.880 70 2HZ LYS 11 2HZ LYS 11 11.490 -4.171 -11.055 71 3HZ LYS 11 3HZ LYS 11 9.925 -4.712 -11.399 72 H GLU 12 H GLU 12 8.482 3.349 -10.143 73 HA GLU 12 HA GLU 12 10.316 4.016 -8.208 74 1HB GLU 12 1HB GLU 12 9.968 5.509 -10.029 75 2HB GLU 12 2HB GLU 12 8.271 5.720 -9.622 76 1HG GLU 12 1HG GLU 12 8.754 7.077 -7.788 77 2HG GLU 12 2HG GLU 12 10.439 6.562 -7.737 78 H ARG 13 H ARG 13 6.854 4.882 -8.078 79 HA ARG 13 HA ARG 13 6.863 5.791 -5.439 80 1HB ARG 13 1HB ARG 13 4.776 4.877 -7.352 81 2HB ARG 13 2HB ARG 13 4.326 4.981 -5.655 82 1HG ARG 13 1HG ARG 13 4.820 7.306 -5.582 83 2HG ARG 13 2HG ARG 13 5.569 7.255 -7.179 84 1HD ARG 13 1HD ARG 13 2.743 6.369 -6.925 85 2HD ARG 13 2HD ARG 13 3.083 8.096 -6.821 86 HE ARG 13 HE ARG 13 3.210 6.446 -9.164 87 1HH1 ARG 13 1HH1 ARG 13 4.414 9.338 -7.646 88 2HH1 ARG 13 2HH1 ARG 13 4.812 10.114 -9.143 89 1HH2 ARG 13 1HH2 ARG 13 3.729 7.457 -11.142 90 2HH2 ARG 13 2HH2 ARG 13 4.421 9.044 -11.131 91 H ALA 14 H ALA 14 5.551 2.680 -6.601 92 HA ALA 14 HA ALA 14 4.985 1.426 -4.280 93 1HB ALA 14 1HB ALA 14 5.144 -0.610 -5.388 94 2HB ALA 14 2HB ALA 14 4.897 0.543 -6.700 95 3HB ALA 14 3HB ALA 14 6.512 -0.082 -6.367 96 H ARG 15 H ARG 15 8.223 1.659 -5.719 97 HA ARG 15 HA ARG 15 9.651 0.096 -3.954 98 1HB ARG 15 1HB ARG 15 10.356 2.553 -5.522 99 2HB ARG 15 2HB ARG 15 11.531 1.846 -4.420 100 1HG ARG 15 1HG ARG 15 10.175 0.265 -6.585 101 2HG ARG 15 2HG ARG 15 11.691 1.135 -6.831 102 1HD ARG 15 1HD ARG 15 12.826 -0.201 -5.247 103 2HD ARG 15 2HD ARG 15 11.319 -0.869 -4.621 104 HE ARG 15 HE ARG 15 11.304 -2.387 -6.347 105 1HH1 ARG 15 1HH1 ARG 15 13.694 0.067 -6.966 106 2HH1 ARG 15 2HH1 ARG 15 14.398 -0.773 -8.308 107 1HH2 ARG 15 1HH2 ARG 15 12.221 -3.502 -8.113 108 2HH2 ARG 15 2HH2 ARG 15 13.558 -2.802 -8.960 109 H SER 16 H SER 16 8.732 3.502 -3.616 110 HA SER 16 HA SER 16 10.054 4.389 -1.471 111 1HB SER 16 1HB SER 16 7.081 4.598 -1.973 112 2HB SER 16 2HB SER 16 7.911 5.514 -0.716 113 HG SER 16 HG SER 16 7.888 6.811 -2.490 114 H ALA 17 H ALA 17 10.143 4.114 0.718 115 HA ALA 17 HA ALA 17 9.371 1.569 1.749 116 1HB ALA 17 1HB ALA 17 11.249 3.490 2.421 117 2HB ALA 17 2HB ALA 17 10.121 3.498 3.777 118 3HB ALA 17 3HB ALA 17 10.912 1.996 3.298 119 H GLU 18 H GLU 18 8.131 4.848 2.053 120 HA GLU 18 HA GLU 18 5.942 3.823 3.734 121 1HB GLU 18 1HB GLU 18 5.582 6.257 4.306 122 2HB GLU 18 2HB GLU 18 7.073 5.548 4.909 123 1HG GLU 18 1HG GLU 18 8.372 6.650 3.276 124 2HG GLU 18 2HG GLU 18 6.945 7.122 2.356 125 H GLU 19 H GLU 19 4.848 3.018 1.847 126 HA GLU 19 HA GLU 19 3.846 5.032 -0.020 127 1HB GLU 19 1HB GLU 19 3.787 2.020 -0.014 128 2HB GLU 19 2HB GLU 19 2.848 2.971 -1.155 129 1HG GLU 19 1HG GLU 19 5.750 3.542 -0.920 130 2HG GLU 19 2HG GLU 19 5.252 2.062 -1.739 131 HA PRO 20 HA PRO 20 -0.134 5.352 1.800 132 1HB PRO 20 1HB PRO 20 -1.691 5.704 -0.396 133 2HB PRO 20 2HB PRO 20 -0.598 6.951 0.216 134 1HG PRO 20 1HG PRO 20 -0.197 5.022 -2.038 135 2HG PRO 20 2HG PRO 20 0.197 6.749 -1.960 136 1HD PRO 20 1HD PRO 20 2.060 4.813 -1.620 137 2HD PRO 20 2HD PRO 20 2.148 6.380 -0.790 138 H TRP 21 H TRP 21 -2.451 4.490 1.535 139 HA TRP 21 HA TRP 21 -2.620 1.849 0.337 140 1HB TRP 21 1HB TRP 21 -2.907 2.287 3.317 141 2HB TRP 21 2HB TRP 21 -3.386 0.815 2.476 142 HD1 TRP 21 HD1 TRP 21 -0.205 2.859 3.270 143 HE1 TRP 21 HE1 TRP 21 1.803 1.248 3.265 144 HE3 TRP 21 HE3 TRP 21 -2.582 -1.394 1.722 145 HZ2 TRP 21 HZ2 TRP 21 2.311 -1.467 2.681 146 HZ3 TRP 21 HZ3 TRP 21 -1.263 -3.455 1.465 147 HH2 TRP 21 HH2 TRP 21 1.133 -3.489 1.935 148 H THR 22 H THR 22 -4.446 1.976 -0.779 149 HA THR 22 HA THR 22 -6.654 3.609 0.211 150 HB THR 22 HB THR 22 -6.315 4.086 -2.042 151 HG1 THR 22 HG1 THR 22 -8.163 2.014 -2.476 152 1HG2 THR 22 1HG2 THR 22 -4.804 2.590 -2.903 153 2HG2 THR 22 2HG2 THR 22 -6.273 2.025 -3.699 154 3HG2 THR 22 3HG2 THR 22 -5.667 1.188 -2.270 155 H GLN 23 H GLN 23 -8.865 2.768 0.099 156 HA GLN 23 HA GLN 23 -9.463 0.711 1.681 157 1HB GLN 23 1HB GLN 23 -11.592 0.399 0.393 158 2HB GLN 23 2HB GLN 23 -11.227 2.068 0.807 159 1HG GLN 23 1HG GLN 23 -10.181 2.191 -1.542 160 2HG GLN 23 2HG GLN 23 -11.095 0.717 -1.856 161 1HE2 GLN 23 1HE2 GLN 23 -12.505 1.575 -3.310 162 2HE2 GLN 23 2HE2 GLN 23 -13.692 2.763 -2.908 163 H ASN 24 H ASN 24 -9.071 0.327 -1.840 164 HA ASN 24 HA ASN 24 -9.448 -2.421 -1.977 165 1HB ASN 24 1HB ASN 24 -9.047 -0.577 -3.836 166 2HB ASN 24 2HB ASN 24 -7.388 -1.157 -3.732 167 1HD2 ASN 24 1HD2 ASN 24 -10.684 -2.020 -4.485 168 2HD2 ASN 24 2HD2 ASN 24 -10.310 -3.444 -5.390 169 H GLN 25 H GLN 25 -6.254 -0.845 -2.160 170 HA GLN 25 HA GLN 25 -4.695 -3.071 -1.770 171 1HB GLN 25 1HB GLN 25 -4.308 -0.169 -1.186 172 2HB GLN 25 2HB GLN 25 -3.112 -1.311 -0.588 173 1HG GLN 25 1HG GLN 25 -2.276 -0.600 -2.642 174 2HG GLN 25 2HG GLN 25 -2.982 -2.181 -2.973 175 1HE2 GLN 25 1HE2 GLN 25 -2.454 -0.148 -4.882 176 2HE2 GLN 25 2HE2 GLN 25 -3.966 0.331 -5.568 177 H GLN 26 H GLN 26 -5.626 -0.770 0.795 178 HA GLN 26 HA GLN 26 -4.609 -2.114 2.965 179 1HB GLN 26 1HB GLN 26 -5.668 0.152 2.992 180 2HB GLN 26 2HB GLN 26 -7.242 -0.631 2.933 181 1HG GLN 26 1HG GLN 26 -6.506 0.101 5.201 182 2HG GLN 26 2HG GLN 26 -6.937 -1.604 5.070 183 1HE2 GLN 26 1HE2 GLN 26 -5.262 -3.162 5.049 184 2HE2 GLN 26 2HE2 GLN 26 -3.714 -2.810 5.731 185 H LYS 27 H LYS 27 -7.574 -2.745 1.200 186 HA LYS 27 HA LYS 27 -8.640 -4.614 3.073 187 1HB LYS 27 1HB LYS 27 -10.331 -3.850 1.742 188 2HB LYS 27 2HB LYS 27 -9.297 -3.705 0.326 189 1HG LYS 27 1HG LYS 27 -9.343 -6.180 0.111 190 2HG LYS 27 2HG LYS 27 -10.512 -6.226 1.433 191 1HD LYS 27 1HD LYS 27 -11.088 -4.427 -0.859 192 2HD LYS 27 2HD LYS 27 -11.259 -6.165 -1.118 193 1HE LYS 27 1HE LYS 27 -12.496 -4.866 1.277 194 2HE LYS 27 2HE LYS 27 -13.296 -4.775 -0.291 195 1HZ LYS 27 1HZ LYS 27 -12.951 -7.309 -0.307 196 2HZ LYS 27 2HZ LYS 27 -14.193 -6.667 0.644 197 3HZ LYS 27 3HZ LYS 27 -12.740 -7.147 1.364 198 H LEU 28 H LEU 28 -7.162 -5.057 -0.146 199 HA LEU 28 HA LEU 28 -7.077 -7.799 -0.229 200 1HB LEU 28 1HB LEU 28 -4.992 -5.862 -1.221 201 2HB LEU 28 2HB LEU 28 -5.102 -7.556 -1.694 202 HG LEU 28 HG LEU 28 -7.269 -5.528 -2.220 203 1HD1 LEU 28 1HD1 LEU 28 -6.087 -4.733 -3.915 204 2HD1 LEU 28 2HD1 LEU 28 -5.954 -6.355 -4.592 205 3HD1 LEU 28 3HD1 LEU 28 -4.731 -5.767 -3.466 206 1HD2 LEU 28 1HD2 LEU 28 -8.424 -7.179 -3.213 207 2HD2 LEU 28 2HD2 LEU 28 -7.436 -8.236 -2.204 208 3HD2 LEU 28 3HD2 LEU 28 -6.976 -7.933 -3.880 209 H LEU 29 H LEU 29 -4.976 -5.613 1.530 210 HA LEU 29 HA LEU 29 -3.011 -7.544 2.231 211 1HB LEU 29 1HB LEU 29 -2.450 -5.223 2.311 212 2HB LEU 29 2HB LEU 29 -3.767 -4.889 3.434 213 HG LEU 29 HG LEU 29 -2.592 -6.172 5.171 214 1HD1 LEU 29 1HD1 LEU 29 -0.277 -6.864 4.816 215 2HD1 LEU 29 2HD1 LEU 29 -0.389 -6.385 3.123 216 3HD1 LEU 29 3HD1 LEU 29 -1.376 -7.715 3.730 217 1HD2 LEU 29 1HD2 LEU 29 -0.516 -4.583 5.219 218 2HD2 LEU 29 2HD2 LEU 29 -2.144 -3.930 5.404 219 3HD2 LEU 29 3HD2 LEU 29 -1.321 -3.820 3.847 220 H GLU 30 H GLU 30 -5.569 -6.013 4.197 221 HA GLU 30 HA GLU 30 -5.318 -7.481 6.495 222 1HB GLU 30 1HB GLU 30 -7.821 -6.447 5.162 223 2HB GLU 30 2HB GLU 30 -7.804 -7.126 6.784 224 1HG GLU 30 1HG GLU 30 -6.513 -5.372 7.631 225 2HG GLU 30 2HG GLU 30 -6.024 -4.839 6.023 226 H LEU 31 H LEU 31 -7.806 -8.243 4.057 227 HA LEU 31 HA LEU 31 -8.667 -10.646 4.896 228 1HB LEU 31 1HB LEU 31 -8.121 -9.628 2.142 229 2HB LEU 31 2HB LEU 31 -8.693 -11.280 2.366 230 HG LEU 31 HG LEU 31 -10.507 -9.717 1.813 231 1HD1 LEU 31 1HD1 LEU 31 -11.686 -10.184 4.230 232 2HD1 LEU 31 2HD1 LEU 31 -10.394 -11.384 4.211 233 3HD1 LEU 31 3HD1 LEU 31 -11.580 -11.345 2.906 234 1HD2 LEU 31 1HD2 LEU 31 -10.068 -8.459 4.507 235 2HD2 LEU 31 2HD2 LEU 31 -11.144 -7.936 3.211 236 3HD2 LEU 31 3HD2 LEU 31 -9.397 -7.777 3.025 237 H ALA 32 H ALA 32 -5.612 -10.055 3.235 238 HA ALA 32 HA ALA 32 -4.882 -12.795 2.992 239 1HB ALA 32 1HB ALA 32 -3.452 -10.194 2.682 240 2HB ALA 32 2HB ALA 32 -2.528 -11.695 2.747 241 3HB ALA 32 3HB ALA 32 -3.748 -11.465 1.495 242 H LEU 33 H LEU 33 -4.091 -10.248 5.330 243 HA LEU 33 HA LEU 33 -2.206 -11.536 6.865 244 1HB LEU 33 1HB LEU 33 -4.248 -9.458 7.375 245 2HB LEU 33 2HB LEU 33 -3.541 -10.235 8.790 246 HG LEU 33 HG LEU 33 -2.481 -8.065 8.059 247 1HD1 LEU 33 1HD1 LEU 33 -0.102 -9.329 8.037 248 2HD1 LEU 33 2HD1 LEU 33 -1.138 -10.616 8.654 249 3HD1 LEU 33 3HD1 LEU 33 -1.064 -9.066 9.492 250 1HD2 LEU 33 1HD2 LEU 33 -0.744 -9.239 6.109 251 2HD2 LEU 33 2HD2 LEU 33 -1.754 -7.799 5.980 252 3HD2 LEU 33 3HD2 LEU 33 -2.419 -9.382 5.576 253 H GLN 34 H GLN 34 -5.677 -12.007 6.806 254 HA GLN 34 HA GLN 34 -5.813 -13.594 9.167 255 1HB GLN 34 1HB GLN 34 -7.725 -13.508 6.828 256 2HB GLN 34 2HB GLN 34 -8.068 -14.157 8.426 257 1HG GLN 34 1HG GLN 34 -7.374 -11.709 9.157 258 2HG GLN 34 2HG GLN 34 -7.892 -11.345 7.512 259 1HE2 GLN 34 1HE2 GLN 34 -9.682 -10.187 8.129 260 2HE2 GLN 34 2HE2 GLN 34 -11.071 -10.915 8.853 261 H GLN 35 H GLN 35 -5.875 -14.415 5.701 262 HA GLN 35 HA GLN 35 -5.937 -17.197 6.028 263 1HB GLN 35 1HB GLN 35 -4.991 -15.426 3.787 264 2HB GLN 35 2HB GLN 35 -4.898 -17.179 3.675 265 1HG GLN 35 1HG GLN 35 -7.324 -17.313 4.027 266 2HG GLN 35 2HG GLN 35 -7.398 -15.552 4.080 267 1HE2 GLN 35 1HE2 GLN 35 -6.068 -14.608 2.096 268 2HE2 GLN 35 2HE2 GLN 35 -6.564 -15.247 0.569 269 H TYR 36 H TYR 36 -3.179 -15.017 5.487 270 HA TYR 36 HA TYR 36 -1.405 -17.181 6.412 271 1HB TYR 36 1HB TYR 36 -0.470 -14.838 4.777 272 2HB TYR 36 2HB TYR 36 0.297 -16.407 4.991 273 HD1 TYR 36 HD1 TYR 36 -2.388 -14.586 3.257 274 HD2 TYR 36 HD2 TYR 36 -0.333 -18.292 3.639 275 HE1 TYR 36 HE1 TYR 36 -3.429 -15.371 1.172 276 HE2 TYR 36 HE2 TYR 36 -1.368 -19.087 1.554 277 HH TYR 36 HH TYR 36 -2.667 -18.570 -0.171 278 HA PRO 37 HA PRO 37 -1.226 -13.992 9.711 279 1HB PRO 37 1HB PRO 37 -0.847 -15.788 11.711 280 2HB PRO 37 2HB PRO 37 -2.447 -15.363 11.092 281 1HG PRO 37 1HG PRO 37 -0.741 -17.740 10.458 282 2HG PRO 37 2HG PRO 37 -2.485 -17.665 10.767 283 1HD PRO 37 1HD PRO 37 -1.455 -17.821 8.268 284 2HD PRO 37 2HD PRO 37 -2.962 -16.955 8.627 285 H ARG 38 H ARG 38 0.483 -13.913 11.577 286 HA ARG 38 HA ARG 38 3.029 -13.779 10.380 287 1HB ARG 38 1HB ARG 38 2.355 -13.780 13.328 288 2HB ARG 38 2HB ARG 38 3.849 -13.201 12.605 289 1HG ARG 38 1HG ARG 38 2.909 -11.269 11.863 290 2HG ARG 38 2HG ARG 38 1.311 -11.991 11.667 291 1HD ARG 38 1HD ARG 38 2.590 -11.431 14.337 292 2HD ARG 38 2HD ARG 38 1.490 -10.320 13.522 293 HE ARG 38 HE ARG 38 0.069 -12.608 13.608 294 1HH1 ARG 38 1HH1 ARG 38 1.807 -10.809 16.028 295 2HH1 ARG 38 2HH1 ARG 38 0.765 -11.295 17.325 296 1HH2 ARG 38 1HH2 ARG 38 -1.310 -13.255 15.306 297 2HH2 ARG 38 2HH2 ARG 38 -1.007 -12.687 16.913 298 H GLY 39 H GLY 39 4.995 -14.798 11.603 299 1HA GLY 39 1HA GLY 39 5.297 -17.010 12.964 300 2HA GLY 39 2HA GLY 39 4.548 -17.696 11.529 301 H SER 40 H SER 40 5.781 -16.075 9.584 302 HA SER 40 HA SER 40 8.630 -16.181 9.902 303 1HB SER 40 1HB SER 40 7.262 -18.210 8.123 304 2HB SER 40 2HB SER 40 8.984 -17.838 8.054 305 HG SER 40 HG SER 40 9.029 -18.432 10.330 306 H SER 41 H SER 41 9.758 -15.235 8.147 307 HA SER 41 HA SER 41 8.543 -13.077 6.934 308 1HB SER 41 1HB SER 41 10.527 -12.900 5.534 309 2HB SER 41 2HB SER 41 10.999 -13.380 7.164 310 HG SER 41 HG SER 41 10.843 -15.615 6.227 311 H ASP 42 H ASP 42 8.940 -16.358 5.721 312 HA ASP 42 HA ASP 42 8.112 -15.908 3.075 313 1HB ASP 42 1HB ASP 42 9.158 -18.023 4.226 314 2HB ASP 42 2HB ASP 42 7.475 -18.475 4.481 315 H CYS 43 H CYS 43 6.301 -16.571 6.022 316 HA CYS 43 HA CYS 43 3.800 -17.107 4.956 317 1HB CYS 43 1HB CYS 43 4.561 -15.671 7.503 318 2HB CYS 43 2HB CYS 43 2.913 -16.150 7.117 319 HG CYS 43 HG CYS 43 5.461 -18.419 7.281 320 H TRP 44 H TRP 44 5.517 -14.099 5.188 321 HA TRP 44 HA TRP 44 3.233 -12.424 4.738 322 1HB TRP 44 1HB TRP 44 6.208 -11.936 4.667 323 2HB TRP 44 2HB TRP 44 5.042 -10.681 4.258 324 HD1 TRP 44 HD1 TRP 44 6.587 -12.468 7.204 325 HE1 TRP 44 HE1 TRP 44 5.735 -11.405 9.388 326 HE3 TRP 44 HE3 TRP 44 2.900 -9.497 5.277 327 HZ2 TRP 44 HZ2 TRP 44 3.761 -9.553 10.188 328 HZ3 TRP 44 HZ3 TRP 44 1.575 -8.111 6.819 329 HH2 TRP 44 HH2 TRP 44 1.998 -8.141 9.224 330 H ASP 45 H ASP 45 5.956 -13.524 2.731 331 HA ASP 45 HA ASP 45 5.649 -12.307 0.386 332 1HB ASP 45 1HB ASP 45 7.217 -13.961 0.203 333 2HB ASP 45 2HB ASP 45 6.232 -15.138 1.066 334 H LYS 46 H LYS 46 3.698 -15.188 1.182 335 HA LYS 46 HA LYS 46 2.022 -15.210 -0.988 336 1HB LYS 46 1HB LYS 46 1.619 -15.993 1.879 337 2HB LYS 46 2HB LYS 46 0.280 -16.102 0.743 338 1HG LYS 46 1HG LYS 46 1.228 -17.818 -0.428 339 2HG LYS 46 2HG LYS 46 2.875 -17.343 -0.007 340 1HD LYS 46 1HD LYS 46 2.691 -18.262 2.160 341 2HD LYS 46 2HD LYS 46 0.937 -18.410 2.031 342 1HE LYS 46 1HE LYS 46 1.312 -20.055 0.173 343 2HE LYS 46 2HE LYS 46 3.030 -20.005 0.564 344 1HZ LYS 46 1HZ LYS 46 0.824 -21.217 2.037 345 2HZ LYS 46 2HZ LYS 46 2.059 -20.515 2.956 346 3HZ LYS 46 3HZ LYS 46 2.421 -21.745 1.852 347 H ILE 47 H ILE 47 1.667 -13.313 1.984 348 HA ILE 47 HA ILE 47 -0.832 -12.201 1.509 349 HB ILE 47 HB ILE 47 1.536 -10.899 2.859 350 1HG1 ILE 47 1HG1 ILE 47 -0.796 -12.278 4.180 351 2HG1 ILE 47 2HG1 ILE 47 0.659 -13.156 3.720 352 1HG2 ILE 47 1HG2 ILE 47 -1.327 -10.242 3.419 353 2HG2 ILE 47 2HG2 ILE 47 0.121 -9.290 3.738 354 3HG2 ILE 47 3HG2 ILE 47 -0.476 -9.461 2.087 355 1HD1 ILE 47 1HD1 ILE 47 0.205 -11.257 5.917 356 2HD1 ILE 47 2HD1 ILE 47 1.275 -12.656 5.819 357 3HD1 ILE 47 3HD1 ILE 47 1.756 -11.125 5.089 358 H ALA 48 H ALA 48 2.362 -11.059 0.471 359 HA ALA 48 HA ALA 48 1.591 -8.658 -0.710 360 1HB ALA 48 1HB ALA 48 3.950 -9.886 -0.357 361 2HB ALA 48 2HB ALA 48 3.718 -10.178 -2.081 362 3HB ALA 48 3HB ALA 48 3.719 -8.528 -1.459 363 H ARG 49 H ARG 49 1.452 -11.947 -1.935 364 HA ARG 49 HA ARG 49 1.095 -11.566 -4.627 365 1HB ARG 49 1HB ARG 49 -0.412 -13.511 -2.869 366 2HB ARG 49 2HB ARG 49 -0.251 -13.627 -4.616 367 1HG ARG 49 1HG ARG 49 2.253 -13.717 -4.238 368 2HG ARG 49 2HG ARG 49 1.880 -13.952 -2.529 369 1HD ARG 49 1HD ARG 49 0.349 -15.857 -3.366 370 2HD ARG 49 2HD ARG 49 1.283 -15.739 -4.857 371 HE ARG 49 HE ARG 49 2.893 -15.985 -2.486 372 1HH1 ARG 49 1HH1 ARG 49 1.158 -17.698 -4.971 373 2HH1 ARG 49 2HH1 ARG 49 2.089 -19.150 -4.802 374 1HH2 ARG 49 1HH2 ARG 49 4.126 -17.891 -2.255 375 2HH2 ARG 49 2HH2 ARG 49 3.776 -19.258 -3.256 376 H CYS 50 H CYS 50 -1.475 -11.558 -2.156 377 HA CYS 50 HA CYS 50 -3.556 -10.865 -3.927 378 1HB CYS 50 1HB CYS 50 -3.573 -11.757 -1.435 379 2HB CYS 50 2HB CYS 50 -3.666 -10.041 -1.057 380 HG CYS 50 HG CYS 50 -6.251 -10.762 -0.909 381 H VAL 51 H VAL 51 -0.957 -9.059 -2.809 382 HA VAL 51 HA VAL 51 -2.370 -6.526 -3.337 383 HB VAL 51 HB VAL 51 0.257 -6.540 -1.932 384 1HG1 VAL 51 1HG1 VAL 51 -0.899 -4.453 -2.613 385 2HG1 VAL 51 2HG1 VAL 51 -2.231 -4.883 -1.539 386 3HG1 VAL 51 3HG1 VAL 51 -0.628 -4.569 -0.875 387 1HG2 VAL 51 1HG2 VAL 51 -0.691 -6.983 0.203 388 2HG2 VAL 51 2HG2 VAL 51 -2.324 -7.032 -0.460 389 3HG2 VAL 51 3HG2 VAL 51 -1.173 -8.307 -0.857 390 HA PRO 52 HA PRO 52 0.387 -6.887 -6.938 391 1HB PRO 52 1HB PRO 52 -1.094 -5.226 -8.493 392 2HB PRO 52 2HB PRO 52 -1.479 -6.937 -8.278 393 1HG PRO 52 1HG PRO 52 -2.671 -4.544 -6.932 394 2HG PRO 52 2HG PRO 52 -3.481 -5.981 -7.582 395 1HD PRO 52 1HD PRO 52 -2.976 -5.663 -4.941 396 2HD PRO 52 2HD PRO 52 -2.985 -7.255 -5.727 397 H SER 53 H SER 53 -1.037 -3.955 -5.547 398 HA SER 53 HA SER 53 0.853 -2.167 -6.699 399 1HB SER 53 1HB SER 53 -0.312 -0.502 -5.633 400 2HB SER 53 2HB SER 53 -1.532 -1.773 -5.559 401 HG SER 53 HG SER 53 -0.430 -0.488 -3.545 402 H LYS 54 H LYS 54 0.464 -3.388 -3.371 403 HA LYS 54 HA LYS 54 3.190 -2.524 -2.759 404 1HB LYS 54 1HB LYS 54 1.186 -3.750 -0.864 405 2HB LYS 54 2HB LYS 54 2.635 -2.841 -0.453 406 1HG LYS 54 1HG LYS 54 0.086 -1.801 -1.657 407 2HG LYS 54 2HG LYS 54 0.785 -1.413 -0.084 408 1HD LYS 54 1HD LYS 54 2.651 -0.294 -1.160 409 2HD LYS 54 2HD LYS 54 2.033 -0.747 -2.751 410 1HE LYS 54 1HE LYS 54 -0.129 0.493 -1.831 411 2HE LYS 54 2HE LYS 54 1.076 1.324 -0.848 412 1HZ LYS 54 1HZ LYS 54 1.933 1.169 -3.543 413 2HZ LYS 54 2HZ LYS 54 1.674 2.538 -2.585 414 3HZ LYS 54 3HZ LYS 54 0.395 1.870 -3.467 415 H SER 55 H SER 55 4.761 -3.936 -1.923 416 HA SER 55 HA SER 55 4.407 -6.713 -2.787 417 1HB SER 55 1HB SER 55 6.860 -5.044 -2.226 418 2HB SER 55 2HB SER 55 6.938 -6.787 -2.484 419 HG SER 55 HG SER 55 6.748 -4.819 -4.300 420 H LYS 56 H LYS 56 6.046 -8.176 -1.368 421 HA LYS 56 HA LYS 56 4.760 -8.692 1.026 422 1HB LYS 56 1HB LYS 56 6.172 -10.342 -0.062 423 2HB LYS 56 2HB LYS 56 7.598 -9.351 0.219 424 1HG LYS 56 1HG LYS 56 5.944 -10.297 2.521 425 2HG LYS 56 2HG LYS 56 7.125 -11.368 1.763 426 1HD LYS 56 1HD LYS 56 8.684 -9.243 2.060 427 2HD LYS 56 2HD LYS 56 7.542 -8.895 3.360 428 1HE LYS 56 1HE LYS 56 7.978 -11.076 4.347 429 2HE LYS 56 2HE LYS 56 9.073 -11.474 3.024 430 1HZ LYS 56 1HZ LYS 56 9.466 -9.238 4.939 431 2HZ LYS 56 2HZ LYS 56 10.535 -9.707 3.716 432 3HZ LYS 56 3HZ LYS 56 10.246 -10.737 5.026 433 H GLU 57 H GLU 57 7.905 -7.066 0.585 434 HA GLU 57 HA GLU 57 8.429 -6.461 3.232 435 1HB GLU 57 1HB GLU 57 9.169 -5.148 0.644 436 2HB GLU 57 2HB GLU 57 9.600 -4.374 2.162 437 1HG GLU 57 1HG GLU 57 10.936 -6.222 2.822 438 2HG GLU 57 2HG GLU 57 10.338 -7.207 1.488 439 H ASP 58 H ASP 58 6.569 -4.589 0.863 440 HA ASP 58 HA ASP 58 6.035 -2.379 2.520 441 1HB ASP 58 1HB ASP 58 4.516 -3.507 0.163 442 2HB ASP 58 2HB ASP 58 4.117 -1.976 0.938 443 H CYS 59 H CYS 59 4.361 -5.445 2.060 444 HA CYS 59 HA CYS 59 1.998 -4.883 3.423 445 1HB CYS 59 1HB CYS 59 3.550 -7.422 2.989 446 2HB CYS 59 2HB CYS 59 2.069 -7.419 3.940 447 HG CYS 59 HG CYS 59 1.652 -8.332 1.261 448 H ILE 60 H ILE 60 5.042 -6.228 4.675 449 HA ILE 60 HA ILE 60 4.200 -6.451 7.354 450 HB ILE 60 HB ILE 60 6.985 -6.113 6.238 451 1HG1 ILE 60 1HG1 ILE 60 5.798 -8.658 7.297 452 2HG1 ILE 60 2HG1 ILE 60 5.465 -8.151 5.645 453 1HG2 ILE 60 1HG2 ILE 60 7.856 -6.760 8.333 454 2HG2 ILE 60 2HG2 ILE 60 6.672 -5.499 8.674 455 3HG2 ILE 60 3HG2 ILE 60 6.261 -7.192 8.948 456 1HD1 ILE 60 1HD1 ILE 60 7.980 -9.121 6.864 457 2HD1 ILE 60 2HD1 ILE 60 7.283 -9.451 5.278 458 3HD1 ILE 60 3HD1 ILE 60 8.098 -7.917 5.582 459 H ALA 61 H ALA 61 5.788 -3.842 5.580 460 HA ALA 61 HA ALA 61 6.357 -2.161 7.746 461 1HB ALA 61 1HB ALA 61 6.171 -1.880 4.829 462 2HB ALA 61 2HB ALA 61 5.903 -0.394 5.741 463 3HB ALA 61 3HB ALA 61 7.401 -1.300 5.953 464 H ARG 62 H ARG 62 3.380 -2.866 6.123 465 HA ARG 62 HA ARG 62 2.003 -0.543 7.161 466 1HB ARG 62 1HB ARG 62 1.425 -1.541 4.958 467 2HB ARG 62 2HB ARG 62 0.873 -2.988 5.791 468 1HG ARG 62 1HG ARG 62 -1.015 -1.619 5.213 469 2HG ARG 62 2HG ARG 62 -0.816 -1.633 6.966 470 1HD ARG 62 1HD ARG 62 0.318 0.538 6.844 471 2HD ARG 62 2HD ARG 62 0.099 0.549 5.095 472 HE ARG 62 HE ARG 62 -2.422 0.252 6.081 473 1HH1 ARG 62 1HH1 ARG 62 0.145 2.552 6.574 474 2HH1 ARG 62 2HH1 ARG 62 -0.926 3.872 6.907 475 1HH2 ARG 62 1HH2 ARG 62 -3.842 1.982 6.518 476 2HH2 ARG 62 2HH2 ARG 62 -3.194 3.547 6.875 477 H TYR 63 H TYR 63 2.160 -4.010 7.822 478 HA TYR 63 HA TYR 63 0.113 -4.314 9.628 479 1HB TYR 63 1HB TYR 63 1.559 -6.152 8.818 480 2HB TYR 63 2HB TYR 63 2.864 -5.556 9.837 481 HD1 TYR 63 HD1 TYR 63 -0.507 -7.072 9.876 482 HD2 TYR 63 HD2 TYR 63 2.944 -6.074 12.154 483 HE1 TYR 63 HE1 TYR 63 -1.348 -8.442 11.738 484 HE2 TYR 63 HE2 TYR 63 2.114 -7.442 14.022 485 HH TYR 63 HH TYR 63 -0.145 -8.263 14.839 486 H LYS 64 H LYS 64 3.362 -3.049 10.219 487 HA LYS 64 HA LYS 64 3.378 -2.865 12.961 488 1HB LYS 64 1HB LYS 64 4.483 -0.954 10.901 489 2HB LYS 64 2HB LYS 64 4.822 -0.816 12.622 490 1HG LYS 64 1HG LYS 64 6.191 -2.634 12.642 491 2HG LYS 64 2HG LYS 64 5.343 -3.427 11.312 492 1HD LYS 64 1HD LYS 64 6.293 -1.682 9.785 493 2HD LYS 64 2HD LYS 64 7.272 -1.115 11.141 494 1HE LYS 64 1HE LYS 64 8.180 -3.451 11.325 495 2HE LYS 64 2HE LYS 64 7.355 -3.817 9.811 496 1HZ LYS 64 1HZ LYS 64 9.867 -2.786 10.068 497 2HZ LYS 64 2HZ LYS 64 8.935 -1.442 9.637 498 3HZ LYS 64 3HZ LYS 64 8.945 -2.816 8.650 499 H LEU 65 H LEU 65 1.498 -1.041 10.694 500 HA LEU 65 HA LEU 65 0.731 0.942 12.683 501 1HB LEU 65 1HB LEU 65 -0.127 0.569 9.818 502 2HB LEU 65 2HB LEU 65 -0.615 1.907 10.857 503 HG LEU 65 HG LEU 65 2.026 2.220 11.020 504 1HD1 LEU 65 1HD1 LEU 65 2.341 0.203 9.529 505 2HD1 LEU 65 2HD1 LEU 65 3.176 1.675 9.034 506 3HD1 LEU 65 3HD1 LEU 65 1.692 1.187 8.217 507 1HD2 LEU 65 1HD2 LEU 65 1.827 3.881 9.226 508 2HD2 LEU 65 2HD2 LEU 65 0.441 3.920 10.315 509 3HD2 LEU 65 3HD2 LEU 65 0.297 3.156 8.732 510 H LEU 66 H LEU 66 -0.635 -1.802 10.948 511 HA LEU 66 HA LEU 66 -3.307 -1.528 11.685 512 1HB LEU 66 1HB LEU 66 -1.564 -3.795 10.888 513 2HB LEU 66 2HB LEU 66 -3.127 -4.177 11.608 514 HG LEU 66 HG LEU 66 -3.048 -2.263 9.327 515 1HD1 LEU 66 1HD1 LEU 66 -1.639 -3.959 8.449 516 2HD1 LEU 66 2HD1 LEU 66 -3.249 -4.233 7.783 517 3HD1 LEU 66 3HD1 LEU 66 -2.660 -5.239 9.105 518 1HD2 LEU 66 1HD2 LEU 66 -5.043 -3.306 10.834 519 2HD2 LEU 66 2HD2 LEU 66 -5.008 -4.447 9.489 520 3HD2 LEU 66 3HD2 LEU 66 -5.243 -2.726 9.181 521 H VAL 67 H VAL 67 -0.613 -3.045 13.399 522 HA VAL 67 HA VAL 67 -2.248 -3.943 15.582 523 HB VAL 67 HB VAL 67 -0.112 -4.496 16.687 524 1HG1 VAL 67 1HG1 VAL 67 0.125 -6.386 15.481 525 2HG1 VAL 67 2HG1 VAL 67 -1.270 -5.759 14.601 526 3HG1 VAL 67 3HG1 VAL 67 0.357 -5.517 13.965 527 1HG2 VAL 67 1HG2 VAL 67 1.137 -3.273 14.228 528 2HG2 VAL 67 2HG2 VAL 67 1.230 -2.636 15.870 529 3HG2 VAL 67 3HG2 VAL 67 1.999 -4.173 15.476 530 H SER 68 H SER 68 0.024 -1.278 15.044 531 HA SER 68 HA SER 68 0.100 -0.217 17.604 532 1HB SER 68 1HB SER 68 0.396 0.986 14.871 533 2HB SER 68 2HB SER 68 0.395 2.030 16.292 534 HG SER 68 HG SER 68 2.029 0.247 17.003 535 H GLY 69 H GLY 69 -2.244 0.362 15.009 536 1HA GLY 69 1HA GLY 69 -4.083 1.436 17.043 537 2HA GLY 69 2HA GLY 69 -3.822 2.324 15.549 538 HA PRO 70 HA PRO 70 -6.200 -1.806 14.552 539 1HB PRO 70 1HB PRO 70 -7.583 -2.824 16.654 540 2HB PRO 70 2HB PRO 70 -5.934 -3.321 16.258 541 1HG PRO 70 1HG PRO 70 -6.879 -1.366 18.318 542 2HG PRO 70 2HG PRO 70 -5.628 -2.616 18.452 543 1HD PRO 70 1HD PRO 70 -5.040 -0.004 18.045 544 2HD PRO 70 2HD PRO 70 -4.042 -1.320 17.394 545 H SER 71 H SER 71 -7.540 -0.441 13.408 546 HA SER 71 HA SER 71 -10.190 -0.086 14.444 547 1HB SER 71 1HB SER 71 -8.326 2.242 14.219 548 2HB SER 71 2HB SER 71 -10.025 2.476 13.810 549 HG SER 71 HG SER 71 -10.202 1.234 16.006 550 H SER 72 H SER 72 -11.259 -0.887 12.759 551 HA SER 72 HA SER 72 -10.335 -0.429 10.048 552 1HB SER 72 1HB SER 72 -12.071 -2.001 9.391 553 2HB SER 72 2HB SER 72 -11.181 -2.657 10.764 554 HG SER 72 HG SER 72 -13.045 -1.418 11.932 555 H GLY 73 H GLY 73 -10.952 1.254 8.877 556 1HA GLY 73 1HA GLY 73 -13.498 2.084 8.322 557 2HA GLY 73 2HA GLY 73 -13.056 2.999 9.755 Start of MODEL 18 1 1H GLY 1 1H GLY 1 31.310 3.273 -14.475 2 1HA GLY 1 1HA GLY 1 34.175 2.560 -14.330 3 2HA GLY 1 2HA GLY 1 33.468 3.466 -15.659 4 H SER 2 H SER 2 32.134 5.463 -14.712 5 HA SER 2 HA SER 2 33.910 6.823 -12.792 6 1HB SER 2 1HB SER 2 34.173 7.608 -15.169 7 2HB SER 2 2HB SER 2 32.495 8.149 -15.114 8 HG SER 2 HG SER 2 34.254 8.985 -13.100 9 H SER 3 H SER 3 32.968 7.892 -11.144 10 HA SER 3 HA SER 3 30.157 8.599 -11.237 11 1HB SER 3 1HB SER 3 31.193 6.658 -9.155 12 2HB SER 3 2HB SER 3 29.569 7.342 -9.215 13 HG SER 3 HG SER 3 30.748 5.389 -10.830 14 H GLY 4 H GLY 4 29.516 9.548 -8.988 15 1HA GLY 4 1HA GLY 4 31.180 10.494 -7.074 16 2HA GLY 4 2HA GLY 4 31.475 11.593 -8.413 17 H SER 5 H SER 5 30.645 13.374 -7.313 18 HA SER 5 HA SER 5 28.217 13.504 -5.959 19 1HB SER 5 1HB SER 5 29.955 15.528 -7.315 20 2HB SER 5 2HB SER 5 28.357 16.016 -6.753 21 HG SER 5 HG SER 5 28.959 15.272 -4.669 22 H SER 6 H SER 6 26.306 12.922 -6.746 23 HA SER 6 HA SER 6 25.673 13.488 -9.553 24 1HB SER 6 1HB SER 6 24.692 11.501 -7.550 25 2HB SER 6 2HB SER 6 23.593 12.005 -8.834 26 HG SER 6 HG SER 6 25.518 10.223 -8.986 27 H GLY 7 H GLY 7 24.056 14.836 -10.160 28 1HA GLY 7 1HA GLY 7 23.226 16.909 -8.525 29 2HA GLY 7 2HA GLY 7 22.408 16.427 -10.004 30 H SER 8 H SER 8 20.447 15.494 -9.879 31 HA SER 8 HA SER 8 19.532 14.147 -7.516 32 1HB SER 8 1HB SER 8 17.727 15.675 -6.946 33 2HB SER 8 2HB SER 8 19.267 16.531 -6.858 34 HG SER 8 HG SER 8 18.578 16.954 -9.260 35 H LEU 9 H LEU 9 18.046 12.671 -8.054 36 HA LEU 9 HA LEU 9 16.817 12.884 -10.720 37 1HB LEU 9 1HB LEU 9 17.724 10.557 -9.075 38 2HB LEU 9 2HB LEU 9 16.482 10.340 -10.307 39 HG LEU 9 HG LEU 9 18.910 9.804 -10.925 40 1HD1 LEU 9 1HD1 LEU 9 18.593 10.874 -13.200 41 2HD1 LEU 9 2HD1 LEU 9 17.116 11.583 -12.550 42 3HD1 LEU 9 3HD1 LEU 9 17.290 9.830 -12.632 43 1HD2 LEU 9 1HD2 LEU 9 20.407 11.500 -11.361 44 2HD2 LEU 9 2HD2 LEU 9 19.613 12.095 -9.902 45 3HD2 LEU 9 3HD2 LEU 9 19.146 12.728 -11.481 46 H ARG 10 H ARG 10 14.679 11.721 -10.907 47 HA ARG 10 HA ARG 10 13.067 12.164 -8.480 48 1HB ARG 10 1HB ARG 10 11.189 12.748 -10.050 49 2HB ARG 10 2HB ARG 10 12.510 13.908 -10.008 50 1HG ARG 10 1HG ARG 10 13.240 13.358 -12.123 51 2HG ARG 10 2HG ARG 10 12.499 11.757 -12.075 52 1HD ARG 10 1HD ARG 10 11.084 12.882 -13.504 53 2HD ARG 10 2HD ARG 10 10.269 13.098 -11.956 54 HE ARG 10 HE ARG 10 10.666 15.345 -12.103 55 1HH1 ARG 10 1HH1 ARG 10 12.729 13.677 -14.358 56 2HH1 ARG 10 2HH1 ARG 10 13.305 15.130 -15.106 57 1HH2 ARG 10 1HH2 ARG 10 11.416 17.265 -13.081 58 2HH2 ARG 10 2HH2 ARG 10 12.558 17.170 -14.378 59 H LYS 11 H LYS 11 13.527 9.868 -8.091 60 HA LYS 11 HA LYS 11 12.374 7.926 -9.888 61 1HB LYS 11 1HB LYS 11 14.434 7.658 -8.314 62 2HB LYS 11 2HB LYS 11 13.231 7.324 -7.076 63 1HG LYS 11 1HG LYS 11 12.512 5.374 -8.125 64 2HG LYS 11 2HG LYS 11 13.233 5.830 -9.671 65 1HD LYS 11 1HD LYS 11 15.479 5.704 -8.441 66 2HD LYS 11 2HD LYS 11 14.593 4.844 -7.180 67 1HE LYS 11 1HE LYS 11 14.539 4.012 -10.071 68 2HE LYS 11 2HE LYS 11 15.746 3.417 -8.932 69 1HZ LYS 11 1HZ LYS 11 13.741 1.973 -9.240 70 2HZ LYS 11 2HZ LYS 11 12.830 3.168 -8.463 71 3HZ LYS 11 3HZ LYS 11 14.083 2.388 -7.636 72 H GLU 12 H GLU 12 10.369 7.134 -9.831 73 HA GLU 12 HA GLU 12 8.356 8.258 -8.249 74 1HB GLU 12 1HB GLU 12 6.938 6.394 -9.082 75 2HB GLU 12 2HB GLU 12 7.821 7.221 -10.357 76 1HG GLU 12 1HG GLU 12 9.218 5.436 -10.739 77 2HG GLU 12 2HG GLU 12 8.986 4.772 -9.123 78 H ARG 13 H ARG 13 10.347 5.412 -7.777 79 HA ARG 13 HA ARG 13 8.956 4.058 -5.822 80 1HB ARG 13 1HB ARG 13 11.276 3.591 -6.960 81 2HB ARG 13 2HB ARG 13 11.915 4.406 -5.538 82 1HG ARG 13 1HG ARG 13 10.344 2.704 -4.280 83 2HG ARG 13 2HG ARG 13 10.548 1.782 -5.770 84 1HD ARG 13 1HD ARG 13 12.330 0.997 -4.575 85 2HD ARG 13 2HD ARG 13 13.087 2.369 -5.383 86 HE ARG 13 HE ARG 13 12.076 3.297 -2.970 87 1HH1 ARG 13 1HH1 ARG 13 14.466 1.021 -4.079 88 2HH1 ARG 13 2HH1 ARG 13 15.480 1.209 -2.687 89 1HH2 ARG 13 1HH2 ARG 13 13.403 3.553 -1.132 90 2HH2 ARG 13 2HH2 ARG 13 14.874 2.648 -1.011 91 H ALA 14 H ALA 14 11.224 6.760 -5.389 92 HA ALA 14 HA ALA 14 11.424 6.998 -2.711 93 1HB ALA 14 1HB ALA 14 12.537 8.633 -3.918 94 2HB ALA 14 2HB ALA 14 11.093 9.094 -4.821 95 3HB ALA 14 3HB ALA 14 11.254 9.546 -3.124 96 H ARG 15 H ARG 15 8.560 7.664 -4.622 97 HA ARG 15 HA ARG 15 7.110 8.751 -2.363 98 1HB ARG 15 1HB ARG 15 6.487 8.265 -5.252 99 2HB ARG 15 2HB ARG 15 5.173 8.531 -4.114 100 1HG ARG 15 1HG ARG 15 6.592 10.626 -3.439 101 2HG ARG 15 2HG ARG 15 7.285 10.407 -5.047 102 1HD ARG 15 1HD ARG 15 4.329 10.598 -4.489 103 2HD ARG 15 2HD ARG 15 5.335 11.969 -4.956 104 HE ARG 15 HE ARG 15 4.289 9.957 -6.675 105 1HH1 ARG 15 1HH1 ARG 15 7.021 12.059 -6.186 106 2HH1 ARG 15 2HH1 ARG 15 7.449 12.109 -7.864 107 1HH2 ARG 15 1HH2 ARG 15 4.842 10.015 -8.887 108 2HH2 ARG 15 2HH2 ARG 15 6.208 10.947 -9.400 109 H SER 16 H SER 16 6.773 5.905 -4.485 110 HA SER 16 HA SER 16 4.677 4.636 -3.262 111 1HB SER 16 1HB SER 16 6.222 3.957 -5.305 112 2HB SER 16 2HB SER 16 7.006 2.953 -4.084 113 HG SER 16 HG SER 16 4.311 2.888 -4.944 114 H ALA 17 H ALA 17 7.866 5.106 -2.040 115 HA ALA 17 HA ALA 17 7.949 3.003 -0.153 116 1HB ALA 17 1HB ALA 17 10.005 3.773 0.166 117 2HB ALA 17 2HB ALA 17 9.645 5.083 -0.959 118 3HB ALA 17 3HB ALA 17 9.384 5.309 0.770 119 H GLU 18 H GLU 18 6.666 6.280 -0.042 120 HA GLU 18 HA GLU 18 5.442 5.632 2.555 121 1HB GLU 18 1HB GLU 18 5.669 8.055 3.145 122 2HB GLU 18 2HB GLU 18 7.194 7.186 3.046 123 1HG GLU 18 1HG GLU 18 7.191 8.085 0.586 124 2HG GLU 18 2HG GLU 18 6.088 9.287 1.254 125 H GLU 19 H GLU 19 4.046 5.064 0.354 126 HA GLU 19 HA GLU 19 2.269 7.351 -0.134 127 1HB GLU 19 1HB GLU 19 2.902 4.862 -1.671 128 2HB GLU 19 2HB GLU 19 1.355 5.659 -1.921 129 1HG GLU 19 1HG GLU 19 3.815 7.313 -2.048 130 2HG GLU 19 2HG GLU 19 3.469 6.223 -3.389 131 HA PRO 20 HA PRO 20 -1.046 5.637 2.171 132 1HB PRO 20 1HB PRO 20 -3.194 6.335 0.663 133 2HB PRO 20 2HB PRO 20 -2.262 7.503 1.607 134 1HG PRO 20 1HG PRO 20 -2.111 6.879 -1.317 135 2HG PRO 20 2HG PRO 20 -2.085 8.456 -0.507 136 1HD PRO 20 1HD PRO 20 0.163 7.242 -1.401 137 2HD PRO 20 2HD PRO 20 0.148 8.282 0.038 138 H TRP 21 H TRP 21 -3.135 4.294 1.870 139 HA TRP 21 HA TRP 21 -2.632 2.193 -0.135 140 1HB TRP 21 1HB TRP 21 -3.519 1.952 2.738 141 2HB TRP 21 2HB TRP 21 -3.731 0.646 1.574 142 HD1 TRP 21 HD1 TRP 21 -0.690 2.905 2.481 143 HE1 TRP 21 HE1 TRP 21 1.354 1.373 2.797 144 HE3 TRP 21 HE3 TRP 21 -2.919 -1.613 1.612 145 HZ2 TRP 21 HZ2 TRP 21 1.944 -1.385 2.692 146 HZ3 TRP 21 HZ3 TRP 21 -1.545 -3.650 1.739 147 HH2 TRP 21 HH2 TRP 21 0.836 -3.536 2.267 148 H THR 22 H THR 22 -4.201 1.979 -1.575 149 HA THR 22 HA THR 22 -6.638 3.401 -1.427 150 HB THR 22 HB THR 22 -7.070 2.663 -3.550 151 HG1 THR 22 HG1 THR 22 -6.141 0.453 -4.169 152 1HG2 THR 22 1HG2 THR 22 -4.352 1.632 -3.904 153 2HG2 THR 22 2HG2 THR 22 -4.425 3.172 -3.046 154 3HG2 THR 22 3HG2 THR 22 -5.143 3.021 -4.649 155 H GLN 23 H GLN 23 -8.783 2.606 -1.281 156 HA GLN 23 HA GLN 23 -9.468 1.094 0.837 157 1HB GLN 23 1HB GLN 23 -11.577 0.463 -0.551 158 2HB GLN 23 2HB GLN 23 -11.262 2.153 -0.178 159 1HG GLN 23 1HG GLN 23 -10.317 2.483 -2.393 160 2HG GLN 23 2HG GLN 23 -10.587 0.782 -2.771 161 1HE2 GLN 23 1HE2 GLN 23 -12.357 0.352 -3.862 162 2HE2 GLN 23 2HE2 GLN 23 -13.790 1.314 -3.905 163 H ASN 24 H ASN 24 -8.359 -0.099 -2.237 164 HA ASN 24 HA ASN 24 -9.119 -2.830 -1.726 165 1HB ASN 24 1HB ASN 24 -7.741 -1.355 -3.905 166 2HB ASN 24 2HB ASN 24 -7.361 -3.067 -3.743 167 1HD2 ASN 24 1HD2 ASN 24 -10.449 -1.708 -2.875 168 2HD2 ASN 24 2HD2 ASN 24 -11.352 -2.438 -4.154 169 H GLN 25 H GLN 25 -5.923 -1.335 -2.268 170 HA GLN 25 HA GLN 25 -4.289 -3.336 -1.458 171 1HB GLN 25 1HB GLN 25 -3.929 -0.423 -0.735 172 2HB GLN 25 2HB GLN 25 -2.656 -1.635 -0.787 173 1HG GLN 25 1HG GLN 25 -2.775 -1.814 -3.127 174 2HG GLN 25 2HG GLN 25 -4.310 -0.950 -3.193 175 1HE2 GLN 25 1HE2 GLN 25 -2.643 0.027 -4.868 176 2HE2 GLN 25 2HE2 GLN 25 -1.867 1.468 -4.317 177 H GLN 26 H GLN 26 -5.831 -0.968 0.698 178 HA GLN 26 HA GLN 26 -4.752 -1.914 3.100 179 1HB GLN 26 1HB GLN 26 -6.034 0.246 2.701 180 2HB GLN 26 2HB GLN 26 -7.503 -0.714 2.813 181 1HG GLN 26 1HG GLN 26 -6.869 0.450 4.912 182 2HG GLN 26 2HG GLN 26 -7.046 -1.297 5.072 183 1HE2 GLN 26 1HE2 GLN 26 -5.140 -2.580 5.205 184 2HE2 GLN 26 2HE2 GLN 26 -3.665 -1.901 5.794 185 H LYS 27 H LYS 27 -7.662 -2.860 1.337 186 HA LYS 27 HA LYS 27 -8.573 -4.684 3.341 187 1HB LYS 27 1HB LYS 27 -10.255 -3.848 1.924 188 2HB LYS 27 2HB LYS 27 -9.318 -4.175 0.472 189 1HG LYS 27 1HG LYS 27 -9.715 -6.505 0.633 190 2HG LYS 27 2HG LYS 27 -10.383 -6.344 2.259 191 1HD LYS 27 1HD LYS 27 -12.243 -5.013 1.328 192 2HD LYS 27 2HD LYS 27 -11.588 -5.268 -0.291 193 1HE LYS 27 1HE LYS 27 -12.210 -7.467 -0.344 194 2HE LYS 27 2HE LYS 27 -12.087 -7.657 1.405 195 1HZ LYS 27 1HZ LYS 27 -14.168 -5.872 0.412 196 2HZ LYS 27 2HZ LYS 27 -14.194 -6.940 1.723 197 3HZ LYS 27 3HZ LYS 27 -14.399 -7.527 0.150 198 H LEU 28 H LEU 28 -7.393 -5.302 0.027 199 HA LEU 28 HA LEU 28 -7.113 -7.975 0.025 200 1HB LEU 28 1HB LEU 28 -4.988 -6.077 -0.957 201 2HB LEU 28 2HB LEU 28 -5.224 -7.741 -1.487 202 HG LEU 28 HG LEU 28 -7.215 -5.515 -1.917 203 1HD1 LEU 28 1HD1 LEU 28 -6.285 -5.028 -3.913 204 2HD1 LEU 28 2HD1 LEU 28 -5.733 -6.681 -4.184 205 3HD1 LEU 28 3HD1 LEU 28 -4.818 -5.609 -3.123 206 1HD2 LEU 28 1HD2 LEU 28 -8.520 -7.009 -3.039 207 2HD2 LEU 28 2HD2 LEU 28 -7.803 -8.096 -1.849 208 3HD2 LEU 28 3HD2 LEU 28 -7.157 -8.034 -3.490 209 H LEU 29 H LEU 29 -5.026 -5.712 1.721 210 HA LEU 29 HA LEU 29 -3.049 -7.605 2.478 211 1HB LEU 29 1HB LEU 29 -2.509 -5.279 2.494 212 2HB LEU 29 2HB LEU 29 -3.828 -4.925 3.607 213 HG LEU 29 HG LEU 29 -2.506 -6.476 5.234 214 1HD1 LEU 29 1HD1 LEU 29 -0.046 -5.477 4.020 215 2HD1 LEU 29 2HD1 LEU 29 -0.855 -6.722 3.070 216 3HD1 LEU 29 3HD1 LEU 29 -0.402 -7.045 4.743 217 1HD2 LEU 29 1HD2 LEU 29 -2.758 -4.291 5.922 218 2HD2 LEU 29 2HD2 LEU 29 -1.963 -3.634 4.491 219 3HD2 LEU 29 3HD2 LEU 29 -1.006 -4.409 5.754 220 H GLU 30 H GLU 30 -5.430 -5.948 4.559 221 HA GLU 30 HA GLU 30 -5.199 -7.431 6.822 222 1HB GLU 30 1HB GLU 30 -7.656 -6.242 5.549 223 2HB GLU 30 2HB GLU 30 -7.710 -7.019 7.125 224 1HG GLU 30 1HG GLU 30 -6.234 -5.416 8.062 225 2HG GLU 30 2HG GLU 30 -5.858 -4.744 6.476 226 H LEU 31 H LEU 31 -7.664 -8.140 4.339 227 HA LEU 31 HA LEU 31 -8.559 -10.547 5.306 228 1HB LEU 31 1HB LEU 31 -8.252 -9.535 2.498 229 2HB LEU 31 2HB LEU 31 -8.960 -11.113 2.838 230 HG LEU 31 HG LEU 31 -10.673 -9.416 2.452 231 1HD1 LEU 31 1HD1 LEU 31 -10.654 -10.188 5.360 232 2HD1 LEU 31 2HD1 LEU 31 -11.004 -11.321 4.055 233 3HD1 LEU 31 3HD1 LEU 31 -12.051 -9.926 4.315 234 1HD2 LEU 31 1HD2 LEU 31 -10.944 -7.504 3.794 235 2HD2 LEU 31 2HD2 LEU 31 -9.231 -7.539 3.377 236 3HD2 LEU 31 3HD2 LEU 31 -9.760 -8.064 4.976 237 H ALA 32 H ALA 32 -5.628 -9.886 3.501 238 HA ALA 32 HA ALA 32 -4.970 -12.620 3.000 239 1HB ALA 32 1HB ALA 32 -2.834 -11.789 2.252 240 2HB ALA 32 2HB ALA 32 -4.115 -10.743 1.637 241 3HB ALA 32 3HB ALA 32 -3.138 -10.226 3.010 242 H LEU 33 H LEU 33 -4.190 -10.291 5.524 243 HA LEU 33 HA LEU 33 -2.133 -11.648 6.809 244 1HB LEU 33 1HB LEU 33 -4.164 -9.647 7.609 245 2HB LEU 33 2HB LEU 33 -3.337 -10.509 8.905 246 HG LEU 33 HG LEU 33 -2.417 -8.227 8.131 247 1HD1 LEU 33 1HD1 LEU 33 -0.106 -8.983 8.538 248 2HD1 LEU 33 2HD1 LEU 33 -0.646 -10.654 8.380 249 3HD1 LEU 33 3HD1 LEU 33 -1.256 -9.652 9.696 250 1HD2 LEU 33 1HD2 LEU 33 -0.723 -9.608 6.192 251 2HD2 LEU 33 2HD2 LEU 33 -1.466 -8.010 6.117 252 3HD2 LEU 33 3HD2 LEU 33 -2.402 -9.440 5.678 253 H GLN 34 H GLN 34 -5.529 -12.311 6.718 254 HA GLN 34 HA GLN 34 -5.508 -14.052 9.017 255 1HB GLN 34 1HB GLN 34 -7.639 -13.873 6.890 256 2HB GLN 34 2HB GLN 34 -7.814 -14.454 8.540 257 1HG GLN 34 1HG GLN 34 -7.010 -11.993 9.096 258 2HG GLN 34 2HG GLN 34 -7.699 -11.682 7.503 259 1HE2 GLN 34 1HE2 GLN 34 -9.367 -10.443 8.324 260 2HE2 GLN 34 2HE2 GLN 34 -10.690 -11.128 9.198 261 H GLN 35 H GLN 35 -5.823 -14.489 5.499 262 HA GLN 35 HA GLN 35 -5.869 -17.304 5.555 263 1HB GLN 35 1HB GLN 35 -5.164 -15.315 3.407 264 2HB GLN 35 2HB GLN 35 -5.114 -17.050 3.121 265 1HG GLN 35 1HG GLN 35 -7.524 -17.100 3.906 266 2HG GLN 35 2HG GLN 35 -7.490 -15.342 3.778 267 1HE2 GLN 35 1HE2 GLN 35 -6.267 -14.742 1.565 268 2HE2 GLN 35 2HE2 GLN 35 -6.992 -15.478 0.181 269 H TYR 36 H TYR 36 -3.239 -14.979 5.407 270 HA TYR 36 HA TYR 36 -1.338 -17.217 5.662 271 1HB TYR 36 1HB TYR 36 -0.756 -14.553 4.358 272 2HB TYR 36 2HB TYR 36 0.301 -15.960 4.417 273 HD1 TYR 36 HD1 TYR 36 -2.634 -14.465 2.821 274 HD2 TYR 36 HD2 TYR 36 -0.094 -17.875 2.971 275 HE1 TYR 36 HE1 TYR 36 -3.565 -15.246 0.683 276 HE2 TYR 36 HE2 TYR 36 -1.018 -18.665 0.833 277 HH TYR 36 HH TYR 36 -3.487 -16.792 -0.905 278 HA PRO 37 HA PRO 37 -0.950 -14.814 9.527 279 1HB PRO 37 1HB PRO 37 -0.145 -16.943 11.006 280 2HB PRO 37 2HB PRO 37 -1.845 -16.592 10.673 281 1HG PRO 37 1HG PRO 37 -0.017 -18.546 9.332 282 2HG PRO 37 2HG PRO 37 -1.706 -18.755 9.831 283 1HD PRO 37 1HD PRO 37 -0.997 -18.234 7.270 284 2HD PRO 37 2HD PRO 37 -2.521 -17.658 7.975 285 H ARG 38 H ARG 38 0.832 -13.610 9.655 286 HA ARG 38 HA ARG 38 3.246 -13.879 8.539 287 1HB ARG 38 1HB ARG 38 4.183 -12.706 10.653 288 2HB ARG 38 2HB ARG 38 2.944 -11.891 9.708 289 1HG ARG 38 1HG ARG 38 2.086 -11.571 11.781 290 2HG ARG 38 2HG ARG 38 1.348 -13.132 11.418 291 1HD ARG 38 1HD ARG 38 4.033 -13.115 12.691 292 2HD ARG 38 2HD ARG 38 2.643 -12.680 13.686 293 HE ARG 38 HE ARG 38 3.325 -15.287 12.721 294 1HH1 ARG 38 1HH1 ARG 38 0.694 -13.227 13.695 295 2HH1 ARG 38 2HH1 ARG 38 -0.344 -14.542 14.137 296 1HH2 ARG 38 1HH2 ARG 38 1.969 -17.027 13.299 297 2HH2 ARG 38 2HH2 ARG 38 0.382 -16.703 13.912 298 H GLY 39 H GLY 39 5.339 -14.635 9.178 299 1HA GLY 39 1HA GLY 39 5.968 -16.158 11.398 300 2HA GLY 39 2HA GLY 39 5.287 -17.282 10.231 301 H SER 40 H SER 40 8.089 -15.840 11.307 302 HA SER 40 HA SER 40 10.228 -15.710 10.534 303 1HB SER 40 1HB SER 40 9.386 -17.997 8.740 304 2HB SER 40 2HB SER 40 11.024 -17.614 9.271 305 HG SER 40 HG SER 40 9.019 -18.951 10.580 306 H SER 41 H SER 41 8.522 -13.886 9.333 307 HA SER 41 HA SER 41 8.090 -12.699 7.393 308 1HB SER 41 1HB SER 41 10.153 -11.710 6.517 309 2HB SER 41 2HB SER 41 10.218 -11.813 8.277 310 HG SER 41 HG SER 41 11.239 -13.954 6.808 311 H ASP 42 H ASP 42 7.869 -15.541 6.960 312 HA ASP 42 HA ASP 42 8.850 -15.766 4.192 313 1HB ASP 42 1HB ASP 42 8.399 -17.772 6.356 314 2HB ASP 42 2HB ASP 42 8.163 -18.281 4.686 315 H CYS 43 H CYS 43 6.048 -16.260 6.290 316 HA CYS 43 HA CYS 43 4.262 -17.133 4.299 317 1HB CYS 43 1HB CYS 43 4.007 -16.020 7.048 318 2HB CYS 43 2HB CYS 43 2.570 -16.005 6.032 319 HG CYS 43 HG CYS 43 1.987 -18.516 6.215 320 H TRP 44 H TRP 44 4.764 -13.895 5.693 321 HA TRP 44 HA TRP 44 2.953 -12.345 4.509 322 1HB TRP 44 1HB TRP 44 5.924 -11.809 4.639 323 2HB TRP 44 2HB TRP 44 4.733 -10.584 4.212 324 HD1 TRP 44 HD1 TRP 44 6.109 -12.515 7.186 325 HE1 TRP 44 HE1 TRP 44 5.186 -11.480 9.355 326 HE3 TRP 44 HE3 TRP 44 2.676 -9.314 5.160 327 HZ2 TRP 44 HZ2 TRP 44 3.257 -9.561 10.107 328 HZ3 TRP 44 HZ3 TRP 44 1.332 -7.914 6.674 329 HH2 TRP 44 HH2 TRP 44 1.618 -8.037 9.095 330 H ASP 45 H ASP 45 5.740 -13.729 2.829 331 HA ASP 45 HA ASP 45 5.803 -12.560 0.428 332 1HB ASP 45 1HB ASP 45 5.905 -15.473 1.139 333 2HB ASP 45 2HB ASP 45 6.019 -14.974 -0.546 334 H LYS 46 H LYS 46 3.419 -15.074 1.257 335 HA LYS 46 HA LYS 46 1.989 -14.941 -1.161 336 1HB LYS 46 1HB LYS 46 1.495 -16.047 1.551 337 2HB LYS 46 2HB LYS 46 0.088 -15.799 0.526 338 1HG LYS 46 1HG LYS 46 0.595 -17.921 -0.078 339 2HG LYS 46 2HG LYS 46 1.615 -17.061 -1.234 340 1HD LYS 46 1HD LYS 46 3.015 -18.703 -0.313 341 2HD LYS 46 2HD LYS 46 3.451 -17.219 0.538 342 1HE LYS 46 1HE LYS 46 1.338 -18.962 1.704 343 2HE LYS 46 2HE LYS 46 3.019 -19.480 1.832 344 1HZ LYS 46 1HZ LYS 46 3.312 -17.018 2.647 345 2HZ LYS 46 2HZ LYS 46 2.834 -18.241 3.713 346 3HZ LYS 46 3HZ LYS 46 1.681 -17.187 3.063 347 H ILE 47 H ILE 47 1.354 -13.415 1.991 348 HA ILE 47 HA ILE 47 -0.990 -12.128 1.556 349 HB ILE 47 HB ILE 47 1.447 -10.936 2.883 350 1HG1 ILE 47 1HG1 ILE 47 -0.928 -12.271 4.179 351 2HG1 ILE 47 2HG1 ILE 47 0.528 -13.154 3.736 352 1HG2 ILE 47 1HG2 ILE 47 0.276 -9.106 3.355 353 2HG2 ILE 47 2HG2 ILE 47 -0.937 -9.667 2.206 354 3HG2 ILE 47 3HG2 ILE 47 -1.097 -10.058 3.918 355 1HD1 ILE 47 1HD1 ILE 47 1.292 -12.645 5.752 356 2HD1 ILE 47 2HD1 ILE 47 1.470 -10.989 5.170 357 3HD1 ILE 47 3HD1 ILE 47 0.004 -11.472 6.024 358 H ALA 48 H ALA 48 2.203 -10.973 0.511 359 HA ALA 48 HA ALA 48 1.420 -8.552 -0.616 360 1HB ALA 48 1HB ALA 48 3.784 -9.796 -0.309 361 2HB ALA 48 2HB ALA 48 3.540 -10.024 -2.041 362 3HB ALA 48 3HB ALA 48 3.545 -8.398 -1.359 363 H ARG 49 H ARG 49 1.249 -11.814 -1.895 364 HA ARG 49 HA ARG 49 0.889 -11.382 -4.582 365 1HB ARG 49 1HB ARG 49 -0.644 -13.349 -2.871 366 2HB ARG 49 2HB ARG 49 -0.436 -13.443 -4.615 367 1HG ARG 49 1HG ARG 49 1.813 -13.554 -2.617 368 2HG ARG 49 2HG ARG 49 1.049 -14.962 -3.358 369 1HD ARG 49 1HD ARG 49 2.496 -12.751 -4.813 370 2HD ARG 49 2HD ARG 49 3.119 -14.372 -4.508 371 HE ARG 49 HE ARG 49 0.823 -14.851 -5.841 372 1HH1 ARG 49 1HH1 ARG 49 3.553 -12.787 -6.478 373 2HH1 ARG 49 2HH1 ARG 49 3.401 -12.899 -8.200 374 1HH2 ARG 49 1HH2 ARG 49 0.613 -15.006 -8.107 375 2HH2 ARG 49 2HH2 ARG 49 1.728 -14.161 -9.126 376 H CYS 50 H CYS 50 -1.667 -11.405 -2.098 377 HA CYS 50 HA CYS 50 -3.756 -10.675 -3.843 378 1HB CYS 50 1HB CYS 50 -3.758 -11.599 -1.362 379 2HB CYS 50 2HB CYS 50 -3.845 -9.888 -0.963 380 HG CYS 50 HG CYS 50 -6.276 -9.407 -1.983 381 H VAL 51 H VAL 51 -1.132 -8.903 -2.765 382 HA VAL 51 HA VAL 51 -2.540 -6.354 -3.231 383 HB VAL 51 HB VAL 51 0.102 -6.413 -1.848 384 1HG1 VAL 51 1HG1 VAL 51 -2.228 -4.611 -2.111 385 2HG1 VAL 51 2HG1 VAL 51 -1.385 -4.597 -0.561 386 3HG1 VAL 51 3HG1 VAL 51 -0.505 -4.239 -2.048 387 1HG2 VAL 51 1HG2 VAL 51 -1.019 -6.686 0.329 388 2HG2 VAL 51 2HG2 VAL 51 -2.525 -7.058 -0.509 389 3HG2 VAL 51 3HG2 VAL 51 -1.137 -8.134 -0.671 390 HA PRO 52 HA PRO 52 0.163 -6.663 -6.870 391 1HB PRO 52 1HB PRO 52 -1.300 -4.926 -8.358 392 2HB PRO 52 2HB PRO 52 -1.723 -6.633 -8.182 393 1HG PRO 52 1HG PRO 52 -2.837 -4.249 -6.755 394 2HG PRO 52 2HG PRO 52 -3.691 -5.649 -7.431 395 1HD PRO 52 1HD PRO 52 -3.140 -5.414 -4.790 396 2HD PRO 52 2HD PRO 52 -3.198 -6.984 -5.618 397 H SER 53 H SER 53 -1.255 -3.661 -5.582 398 HA SER 53 HA SER 53 0.674 -1.916 -6.653 399 1HB SER 53 1HB SER 53 -0.414 -0.251 -5.498 400 2HB SER 53 2HB SER 53 -1.667 -1.492 -5.458 401 HG SER 53 HG SER 53 -0.407 -0.337 -3.411 402 H LYS 54 H LYS 54 0.346 -3.145 -3.321 403 HA LYS 54 HA LYS 54 3.092 -2.341 -2.757 404 1HB LYS 54 1HB LYS 54 1.000 -3.554 -0.942 405 2HB LYS 54 2HB LYS 54 2.568 -2.943 -0.433 406 1HG LYS 54 1HG LYS 54 0.502 -1.229 -1.783 407 2HG LYS 54 2HG LYS 54 0.611 -1.421 -0.032 408 1HD LYS 54 1HD LYS 54 2.861 -0.529 -0.039 409 2HD LYS 54 2HD LYS 54 2.849 -0.436 -1.802 410 1HE LYS 54 1HE LYS 54 0.732 1.046 -1.416 411 2HE LYS 54 2HE LYS 54 1.403 1.244 0.201 412 1HZ LYS 54 1HZ LYS 54 2.164 2.527 -2.185 413 2HZ LYS 54 2HZ LYS 54 3.479 1.633 -1.608 414 3HZ LYS 54 3HZ LYS 54 2.741 2.787 -0.616 415 H SER 55 H SER 55 4.519 -3.876 -1.598 416 HA SER 55 HA SER 55 4.221 -6.587 -2.711 417 1HB SER 55 1HB SER 55 6.640 -4.874 -2.209 418 2HB SER 55 2HB SER 55 6.788 -6.627 -2.323 419 HG SER 55 HG SER 55 6.955 -5.178 -4.320 420 H LYS 56 H LYS 56 5.938 -8.051 -1.330 421 HA LYS 56 HA LYS 56 4.639 -8.625 1.068 422 1HB LYS 56 1HB LYS 56 5.993 -10.276 -0.098 423 2HB LYS 56 2HB LYS 56 7.447 -9.330 0.196 424 1HG LYS 56 1HG LYS 56 5.795 -10.309 2.486 425 2HG LYS 56 2HG LYS 56 6.945 -11.380 1.682 426 1HD LYS 56 1HD LYS 56 8.568 -9.327 2.030 427 2HD LYS 56 2HD LYS 56 7.435 -8.946 3.328 428 1HE LYS 56 1HE LYS 56 7.779 -11.161 4.289 429 2HE LYS 56 2HE LYS 56 8.883 -11.570 2.976 430 1HZ LYS 56 1HZ LYS 56 10.063 -9.395 3.837 431 2HZ LYS 56 2HZ LYS 56 10.371 -10.905 4.534 432 3HZ LYS 56 3HZ LYS 56 9.303 -9.829 5.285 433 H GLU 57 H GLU 57 7.855 -7.137 0.638 434 HA GLU 57 HA GLU 57 8.408 -6.582 3.285 435 1HB GLU 57 1HB GLU 57 9.187 -5.235 0.721 436 2HB GLU 57 2HB GLU 57 9.683 -4.549 2.262 437 1HG GLU 57 1HG GLU 57 10.818 -6.620 2.838 438 2HG GLU 57 2HG GLU 57 10.295 -7.340 1.316 439 H ASP 58 H ASP 58 6.582 -4.631 0.961 440 HA ASP 58 HA ASP 58 6.150 -2.435 2.698 441 1HB ASP 58 1HB ASP 58 4.452 -3.301 0.350 442 2HB ASP 58 2HB ASP 58 4.507 -1.696 1.073 443 H CYS 59 H CYS 59 4.445 -5.443 2.135 444 HA CYS 59 HA CYS 59 2.025 -4.812 3.407 445 1HB CYS 59 1HB CYS 59 3.475 -7.404 2.923 446 2HB CYS 59 2HB CYS 59 1.948 -7.361 3.797 447 HG CYS 59 HG CYS 59 0.974 -5.759 1.387 448 H ILE 60 H ILE 60 5.059 -6.115 4.673 449 HA ILE 60 HA ILE 60 4.077 -6.463 7.332 450 HB ILE 60 HB ILE 60 6.891 -6.355 6.247 451 1HG1 ILE 60 1HG1 ILE 60 5.588 -8.782 7.405 452 2HG1 ILE 60 2HG1 ILE 60 5.136 -8.280 5.780 453 1HG2 ILE 60 1HG2 ILE 60 7.679 -7.108 8.378 454 2HG2 ILE 60 2HG2 ILE 60 6.737 -5.639 8.629 455 3HG2 ILE 60 3HG2 ILE 60 6.035 -7.212 9.005 456 1HD1 ILE 60 1HD1 ILE 60 6.834 -9.792 5.403 457 2HD1 ILE 60 2HD1 ILE 60 7.683 -8.246 5.348 458 3HD1 ILE 60 3HD1 ILE 60 7.768 -9.248 6.796 459 H ALA 61 H ALA 61 5.917 -3.948 5.665 460 HA ALA 61 HA ALA 61 6.546 -2.367 7.892 461 1HB ALA 61 1HB ALA 61 6.167 -1.682 4.989 462 2HB ALA 61 2HB ALA 61 6.678 -0.497 6.192 463 3HB ALA 61 3HB ALA 61 7.677 -1.914 5.870 464 H ARG 62 H ARG 62 3.561 -2.898 6.283 465 HA ARG 62 HA ARG 62 2.345 -0.459 7.302 466 1HB ARG 62 1HB ARG 62 1.805 -1.403 5.029 467 2HB ARG 62 2HB ARG 62 1.008 -2.741 5.846 468 1HG ARG 62 1HG ARG 62 -0.718 -1.275 5.299 469 2HG ARG 62 2HG ARG 62 -0.406 -0.963 7.008 470 1HD ARG 62 1HD ARG 62 0.838 1.013 6.488 471 2HD ARG 62 2HD ARG 62 0.792 0.649 4.763 472 HE ARG 62 HE ARG 62 -1.278 1.604 4.667 473 1HH1 ARG 62 1HH1 ARG 62 -0.562 0.813 7.981 474 2HH1 ARG 62 2HH1 ARG 62 -1.980 1.587 8.608 475 1HH2 ARG 62 1HH2 ARG 62 -3.147 2.626 5.480 476 2HH2 ARG 62 2HH2 ARG 62 -3.450 2.617 7.185 477 H TYR 63 H TYR 63 2.111 -3.962 7.771 478 HA TYR 63 HA TYR 63 0.012 -4.169 9.502 479 1HB TYR 63 1HB TYR 63 1.278 -6.105 8.712 480 2HB TYR 63 2HB TYR 63 2.657 -5.625 9.694 481 HD1 TYR 63 HD1 TYR 63 -0.739 -7.026 9.759 482 HD2 TYR 63 HD2 TYR 63 2.689 -6.021 12.071 483 HE1 TYR 63 HE1 TYR 63 -1.624 -8.347 11.635 484 HE2 TYR 63 HE2 TYR 63 1.813 -7.341 13.953 485 HH TYR 63 HH TYR 63 -1.391 -8.812 13.832 486 H LYS 64 H LYS 64 3.237 -2.971 10.192 487 HA LYS 64 HA LYS 64 3.220 -2.962 12.961 488 1HB LYS 64 1HB LYS 64 4.456 -1.075 10.964 489 2HB LYS 64 2HB LYS 64 4.691 -0.875 12.696 490 1HG LYS 64 1HG LYS 64 6.028 -2.711 12.870 491 2HG LYS 64 2HG LYS 64 5.253 -3.541 11.518 492 1HD LYS 64 1HD LYS 64 6.330 -1.908 9.979 493 2HD LYS 64 2HD LYS 64 7.193 -1.235 11.364 494 1HE LYS 64 1HE LYS 64 7.889 -3.753 11.717 495 2HE LYS 64 2HE LYS 64 7.537 -3.857 9.993 496 1HZ LYS 64 1HZ LYS 64 9.760 -2.634 11.331 497 2HZ LYS 64 2HZ LYS 64 9.040 -1.608 10.196 498 3HZ LYS 64 3HZ LYS 64 9.609 -3.128 9.720 499 H LEU 65 H LEU 65 1.713 -0.718 10.707 500 HA LEU 65 HA LEU 65 0.861 1.075 12.806 501 1HB LEU 65 1HB LEU 65 0.121 0.970 9.886 502 2HB LEU 65 2HB LEU 65 -0.303 2.266 11.002 503 HG LEU 65 HG LEU 65 2.347 2.349 11.280 504 1HD1 LEU 65 1HD1 LEU 65 2.534 2.004 8.426 505 2HD1 LEU 65 2HD1 LEU 65 2.062 0.500 9.216 506 3HD1 LEU 65 3HD1 LEU 65 3.538 1.330 9.710 507 1HD2 LEU 65 1HD2 LEU 65 0.856 3.583 8.967 508 2HD2 LEU 65 2HD2 LEU 65 2.355 4.175 9.683 509 3HD2 LEU 65 3HD2 LEU 65 0.861 4.194 10.621 510 H LEU 66 H LEU 66 -0.459 -1.585 10.973 511 HA LEU 66 HA LEU 66 -3.188 -1.180 11.490 512 1HB LEU 66 1HB LEU 66 -1.499 -3.523 10.768 513 2HB LEU 66 2HB LEU 66 -3.152 -3.811 11.307 514 HG LEU 66 HG LEU 66 -3.657 -1.985 9.432 515 1HD1 LEU 66 1HD1 LEU 66 -1.136 -1.871 8.995 516 2HD1 LEU 66 2HD1 LEU 66 -2.208 -2.032 7.605 517 3HD1 LEU 66 3HD1 LEU 66 -1.335 -3.439 8.212 518 1HD2 LEU 66 1HD2 LEU 66 -4.265 -3.781 7.982 519 2HD2 LEU 66 2HD2 LEU 66 -4.522 -4.321 9.641 520 3HD2 LEU 66 3HD2 LEU 66 -3.104 -4.866 8.745 521 H VAL 67 H VAL 67 -0.714 -2.973 13.290 522 HA VAL 67 HA VAL 67 -2.537 -3.806 15.343 523 HB VAL 67 HB VAL 67 -0.443 -4.472 16.564 524 1HG1 VAL 67 1HG1 VAL 67 -0.309 -6.428 15.406 525 2HG1 VAL 67 2HG1 VAL 67 -1.768 -5.768 14.665 526 3HG1 VAL 67 3HG1 VAL 67 -0.216 -5.625 13.840 527 1HG2 VAL 67 1HG2 VAL 67 0.995 -3.778 14.018 528 2HG2 VAL 67 2HG2 VAL 67 0.939 -2.680 15.397 529 3HG2 VAL 67 3HG2 VAL 67 1.680 -4.271 15.567 530 H SER 68 H SER 68 -0.183 -1.214 14.945 531 HA SER 68 HA SER 68 0.051 -0.253 17.504 532 1HB SER 68 1HB SER 68 -0.033 1.161 14.848 533 2HB SER 68 2HB SER 68 0.189 2.059 16.349 534 HG SER 68 HG SER 68 1.832 -0.054 16.324 535 H GLY 69 H GLY 69 -2.573 0.349 15.201 536 1HA GLY 69 1HA GLY 69 -4.831 0.442 16.219 537 2HA GLY 69 2HA GLY 69 -4.130 1.499 17.436 538 HA PRO 70 HA PRO 70 -5.483 4.922 15.038 539 1HB PRO 70 1HB PRO 70 -3.816 6.828 16.017 540 2HB PRO 70 2HB PRO 70 -5.180 6.182 16.936 541 1HG PRO 70 1HG PRO 70 -2.277 5.471 17.103 542 2HG PRO 70 2HG PRO 70 -3.444 5.726 18.414 543 1HD PRO 70 1HD PRO 70 -2.720 3.258 17.567 544 2HD PRO 70 2HD PRO 70 -4.342 3.615 18.194 545 H SER 71 H SER 71 -4.609 6.664 13.596 546 HA SER 71 HA SER 71 -2.124 5.802 12.266 547 1HB SER 71 1HB SER 71 -4.108 5.154 10.941 548 2HB SER 71 2HB SER 71 -4.627 6.839 10.912 549 HG SER 71 HG SER 71 -3.308 5.910 9.070 550 H SER 72 H SER 72 -4.416 8.507 12.592 551 HA SER 72 HA SER 72 -2.304 10.406 11.948 552 1HB SER 72 1HB SER 72 -4.509 10.761 10.945 553 2HB SER 72 2HB SER 72 -5.240 10.842 12.547 554 HG SER 72 HG SER 72 -3.595 12.696 11.238 555 H GLY 73 H GLY 73 -4.672 9.948 14.581 556 1HA GLY 73 1HA GLY 73 -3.003 10.077 16.732 557 2HA GLY 73 2HA GLY 73 -3.265 11.764 16.313 Start of MODEL 19 1 1H GLY 1 1H GLY 1 26.220 -9.861 -16.284 2 1HA GLY 1 1HA GLY 1 23.403 -9.909 -17.064 3 2HA GLY 1 2HA GLY 1 23.755 -9.770 -15.348 4 H SER 2 H SER 2 22.311 -7.797 -16.389 5 HA SER 2 HA SER 2 23.852 -5.651 -17.461 6 1HB SER 2 1HB SER 2 21.064 -5.979 -16.442 7 2HB SER 2 2HB SER 2 21.711 -4.345 -16.591 8 HG SER 2 HG SER 2 22.024 -6.107 -18.741 9 H SER 3 H SER 3 23.903 -3.479 -16.328 10 HA SER 3 HA SER 3 24.443 -3.790 -13.453 11 1HB SER 3 1HB SER 3 26.192 -2.374 -15.477 12 2HB SER 3 2HB SER 3 26.411 -2.276 -13.730 13 HG SER 3 HG SER 3 27.683 -3.913 -14.924 14 H GLY 4 H GLY 4 24.142 -1.367 -16.056 15 1HA GLY 4 1HA GLY 4 22.775 0.499 -16.152 16 2HA GLY 4 2HA GLY 4 22.100 0.041 -14.596 17 H SER 5 H SER 5 23.476 2.525 -15.981 18 HA SER 5 HA SER 5 24.933 3.307 -13.548 19 1HB SER 5 1HB SER 5 26.591 2.831 -15.280 20 2HB SER 5 2HB SER 5 25.758 3.910 -16.399 21 HG SER 5 HG SER 5 27.335 5.141 -15.540 22 H SER 6 H SER 6 23.380 4.597 -12.687 23 HA SER 6 HA SER 6 22.584 6.935 -14.291 24 1HB SER 6 1HB SER 6 20.370 6.860 -13.462 25 2HB SER 6 2HB SER 6 20.743 5.193 -13.897 26 HG SER 6 HG SER 6 19.770 5.340 -11.833 27 H GLY 7 H GLY 7 22.811 8.884 -13.336 28 1HA GLY 7 1HA GLY 7 23.106 9.063 -10.440 29 2HA GLY 7 2HA GLY 7 24.509 9.518 -11.396 30 H SER 8 H SER 8 21.614 10.573 -10.033 31 HA SER 8 HA SER 8 22.040 13.251 -10.956 32 1HB SER 8 1HB SER 8 19.726 11.644 -12.013 33 2HB SER 8 2HB SER 8 19.609 13.395 -11.841 34 HG SER 8 HG SER 8 20.893 11.931 -13.727 35 H LEU 9 H LEU 9 20.297 14.739 -10.074 36 HA LEU 9 HA LEU 9 20.054 14.373 -7.315 37 1HB LEU 9 1HB LEU 9 18.395 16.266 -7.464 38 2HB LEU 9 2HB LEU 9 19.997 16.576 -8.131 39 HG LEU 9 HG LEU 9 17.845 15.678 -9.983 40 1HD1 LEU 9 1HD1 LEU 9 16.609 17.539 -9.899 41 2HD1 LEU 9 2HD1 LEU 9 18.013 18.578 -9.657 42 3HD1 LEU 9 3HD1 LEU 9 17.289 17.740 -8.284 43 1HD2 LEU 9 1HD2 LEU 9 20.467 16.932 -10.096 44 2HD2 LEU 9 2HD2 LEU 9 19.263 17.771 -11.075 45 3HD2 LEU 9 3HD2 LEU 9 19.575 16.055 -11.339 46 H ARG 10 H ARG 10 19.172 12.188 -7.238 47 HA ARG 10 HA ARG 10 16.707 11.374 -8.176 48 1HB ARG 10 1HB ARG 10 18.550 10.085 -6.856 49 2HB ARG 10 2HB ARG 10 17.627 10.566 -5.439 50 1HG ARG 10 1HG ARG 10 16.802 8.460 -5.931 51 2HG ARG 10 2HG ARG 10 15.612 9.541 -6.660 52 1HD ARG 10 1HD ARG 10 16.010 7.909 -8.293 53 2HD ARG 10 2HD ARG 10 16.964 9.298 -8.809 54 HE ARG 10 HE ARG 10 18.539 7.582 -7.216 55 1HH1 ARG 10 1HH1 ARG 10 17.093 7.799 -10.375 56 2HH1 ARG 10 2HH1 ARG 10 18.283 6.793 -11.132 57 1HH2 ARG 10 1HH2 ARG 10 20.112 6.257 -8.201 58 2HH2 ARG 10 2HH2 ARG 10 20.000 5.916 -9.894 59 H LYS 11 H LYS 11 14.613 11.380 -7.365 60 HA LYS 11 HA LYS 11 14.085 13.446 -5.333 61 1HB LYS 11 1HB LYS 11 13.226 13.618 -7.806 62 2HB LYS 11 2HB LYS 11 12.000 12.482 -7.256 63 1HG LYS 11 1HG LYS 11 11.315 14.050 -5.518 64 2HG LYS 11 2HG LYS 11 12.554 15.188 -6.054 65 1HD LYS 11 1HD LYS 11 10.490 14.161 -7.968 66 2HD LYS 11 2HD LYS 11 10.118 15.498 -6.877 67 1HE LYS 11 1HE LYS 11 12.571 15.534 -8.602 68 2HE LYS 11 2HE LYS 11 11.005 16.039 -9.235 69 1HZ LYS 11 1HZ LYS 11 12.077 17.184 -6.734 70 2HZ LYS 11 2HZ LYS 11 10.902 17.820 -7.770 71 3HZ LYS 11 3HZ LYS 11 12.527 17.810 -8.240 72 H GLU 12 H GLU 12 12.391 13.087 -3.817 73 HA GLU 12 HA GLU 12 12.399 10.727 -2.466 74 1HB GLU 12 1HB GLU 12 10.087 11.420 -1.616 75 2HB GLU 12 2HB GLU 12 11.406 12.558 -1.380 76 1HG GLU 12 1HG GLU 12 9.860 14.000 -2.167 77 2HG GLU 12 2HG GLU 12 10.522 13.468 -3.712 78 H ARG 13 H ARG 13 9.921 11.690 -4.841 79 HA ARG 13 HA ARG 13 8.264 9.557 -4.852 80 1HB ARG 13 1HB ARG 13 7.918 9.931 -7.269 81 2HB ARG 13 2HB ARG 13 7.953 11.435 -6.358 82 1HG ARG 13 1HG ARG 13 10.055 12.026 -7.185 83 2HG ARG 13 2HG ARG 13 10.399 10.383 -7.730 84 1HD ARG 13 1HD ARG 13 8.056 11.814 -8.883 85 2HD ARG 13 2HD ARG 13 9.672 12.268 -9.423 86 HE ARG 13 HE ARG 13 8.246 9.877 -10.079 87 1HH1 ARG 13 1HH1 ARG 13 11.416 11.246 -9.637 88 2HH1 ARG 13 2HH1 ARG 13 12.197 10.105 -10.681 89 1HH2 ARG 13 1HH2 ARG 13 9.262 8.369 -11.456 90 2HH2 ARG 13 2HH2 ARG 13 10.971 8.470 -11.716 91 H ALA 14 H ALA 14 11.518 9.650 -6.176 92 HA ALA 14 HA ALA 14 11.462 7.196 -7.552 93 1HB ALA 14 1HB ALA 14 13.853 8.491 -6.251 94 2HB ALA 14 2HB ALA 14 13.862 7.325 -7.575 95 3HB ALA 14 3HB ALA 14 13.203 8.941 -7.828 96 H ARG 15 H ARG 15 12.706 7.968 -4.298 97 HA ARG 15 HA ARG 15 13.429 5.391 -3.551 98 1HB ARG 15 1HB ARG 15 12.394 7.651 -1.830 99 2HB ARG 15 2HB ARG 15 13.172 6.200 -1.212 100 1HG ARG 15 1HG ARG 15 14.550 7.970 -3.195 101 2HG ARG 15 2HG ARG 15 14.577 8.326 -1.467 102 1HD ARG 15 1HD ARG 15 15.461 6.020 -1.087 103 2HD ARG 15 2HD ARG 15 15.590 5.841 -2.837 104 HE ARG 15 HE ARG 15 16.940 8.163 -1.828 105 1HH1 ARG 15 1HH1 ARG 15 17.204 4.742 -2.416 106 2HH1 ARG 15 2HH1 ARG 15 18.934 4.761 -2.516 107 1HH2 ARG 15 1HH2 ARG 15 19.216 8.201 -1.959 108 2HH2 ARG 15 2HH2 ARG 15 20.077 6.729 -2.255 109 H SER 16 H SER 16 10.355 7.087 -2.952 110 HA SER 16 HA SER 16 8.330 6.313 -2.212 111 1HB SER 16 1HB SER 16 7.468 4.392 -3.582 112 2HB SER 16 2HB SER 16 8.154 5.705 -4.538 113 HG SER 16 HG SER 16 9.162 4.025 -5.391 114 H ALA 17 H ALA 17 10.361 5.608 -0.446 115 HA ALA 17 HA ALA 17 10.287 2.839 0.225 116 1HB ALA 17 1HB ALA 17 11.378 3.578 2.335 117 2HB ALA 17 2HB ALA 17 12.191 4.142 0.874 118 3HB ALA 17 3HB ALA 17 11.177 5.248 1.802 119 H GLU 18 H GLU 18 8.807 5.725 1.706 120 HA GLU 18 HA GLU 18 6.895 3.936 3.057 121 1HB GLU 18 1HB GLU 18 8.217 6.473 3.886 122 2HB GLU 18 2HB GLU 18 6.574 6.187 4.444 123 1HG GLU 18 1HG GLU 18 7.197 4.241 5.610 124 2HG GLU 18 2HG GLU 18 8.766 4.172 4.810 125 H GLU 19 H GLU 19 5.670 3.937 1.038 126 HA GLU 19 HA GLU 19 4.327 6.453 0.393 127 1HB GLU 19 1HB GLU 19 4.609 3.813 -0.999 128 2HB GLU 19 2HB GLU 19 3.303 4.902 -1.444 129 1HG GLU 19 1HG GLU 19 6.124 5.882 -1.356 130 2HG GLU 19 2HG GLU 19 5.529 4.981 -2.749 131 HA PRO 20 HA PRO 20 0.564 5.465 2.422 132 1HB PRO 20 1HB PRO 20 -1.259 6.558 0.732 133 2HB PRO 20 2HB PRO 20 -0.199 7.529 1.760 134 1HG PRO 20 1HG PRO 20 0.081 6.848 -1.141 135 2HG PRO 20 2HG PRO 20 0.350 8.399 -0.325 136 1HD PRO 20 1HD PRO 20 2.380 6.747 -1.021 137 2HD PRO 20 2HD PRO 20 2.446 7.789 0.415 138 H TRP 21 H TRP 21 -1.718 4.565 1.929 139 HA TRP 21 HA TRP 21 -1.469 2.376 -0.030 140 1HB TRP 21 1HB TRP 21 -2.579 2.371 2.768 141 2HB TRP 21 2HB TRP 21 -3.057 1.149 1.593 142 HD1 TRP 21 HD1 TRP 21 0.376 2.578 2.754 143 HE1 TRP 21 HE1 TRP 21 1.966 0.588 3.121 144 HE3 TRP 21 HE3 TRP 21 -2.797 -1.234 1.515 145 HZ2 TRP 21 HZ2 TRP 21 1.886 -2.226 2.912 146 HZ3 TRP 21 HZ3 TRP 21 -1.961 -3.546 1.624 147 HH2 TRP 21 HH2 TRP 21 0.332 -4.029 2.308 148 H THR 22 H THR 22 -3.877 1.352 -0.196 149 HA THR 22 HA THR 22 -5.732 3.584 -0.687 150 HB THR 22 HB THR 22 -6.232 2.936 -2.836 151 HG1 THR 22 HG1 THR 22 -6.639 0.893 -3.158 152 1HG2 THR 22 1HG2 THR 22 -4.266 3.096 -3.940 153 2HG2 THR 22 2HG2 THR 22 -3.564 1.711 -3.102 154 3HG2 THR 22 3HG2 THR 22 -3.600 3.291 -2.319 155 H GLN 23 H GLN 23 -8.008 2.789 -1.052 156 HA GLN 23 HA GLN 23 -8.901 1.345 1.154 157 1HB GLN 23 1HB GLN 23 -11.073 1.174 -0.174 158 2HB GLN 23 2HB GLN 23 -10.454 2.791 0.133 159 1HG GLN 23 1HG GLN 23 -9.643 2.990 -2.094 160 2HG GLN 23 2HG GLN 23 -9.969 1.289 -2.424 161 1HE2 GLN 23 1HE2 GLN 23 -12.202 0.605 -2.447 162 2HE2 GLN 23 2HE2 GLN 23 -13.429 1.722 -2.929 163 H ASN 24 H ASN 24 -8.090 0.284 -2.090 164 HA ASN 24 HA ASN 24 -9.142 -2.365 -1.738 165 1HB ASN 24 1HB ASN 24 -8.660 -0.978 -3.942 166 2HB ASN 24 2HB ASN 24 -7.081 -1.747 -3.812 167 1HD2 ASN 24 1HD2 ASN 24 -10.538 -2.506 -3.730 168 2HD2 ASN 24 2HD2 ASN 24 -10.400 -4.025 -4.542 169 H GLN 25 H GLN 25 -5.853 -1.008 -1.944 170 HA GLN 25 HA GLN 25 -4.460 -3.371 -1.435 171 1HB GLN 25 1HB GLN 25 -3.831 -0.466 -1.121 172 2HB GLN 25 2HB GLN 25 -2.725 -1.652 -0.439 173 1HG GLN 25 1HG GLN 25 -2.030 -0.956 -2.662 174 2HG GLN 25 2HG GLN 25 -2.438 -2.671 -2.623 175 1HE2 GLN 25 1HE2 GLN 25 -2.943 0.265 -4.164 176 2HE2 GLN 25 2HE2 GLN 25 -4.284 -0.191 -5.154 177 H GLN 26 H GLN 26 -5.391 -0.804 0.857 178 HA GLN 26 HA GLN 26 -4.412 -1.965 3.175 179 1HB GLN 26 1HB GLN 26 -5.331 0.349 2.962 180 2HB GLN 26 2HB GLN 26 -6.949 -0.340 2.952 181 1HG GLN 26 1HG GLN 26 -6.257 0.552 5.149 182 2HG GLN 26 2HG GLN 26 -6.687 -1.158 5.181 183 1HE2 GLN 26 1HE2 GLN 26 -4.988 -2.710 5.284 184 2HE2 GLN 26 2HE2 GLN 26 -3.461 -2.291 5.975 185 H LYS 27 H LYS 27 -7.244 -2.747 1.324 186 HA LYS 27 HA LYS 27 -8.456 -4.338 3.404 187 1HB LYS 27 1HB LYS 27 -10.126 -3.563 2.050 188 2HB LYS 27 2HB LYS 27 -9.118 -3.587 0.609 189 1HG LYS 27 1HG LYS 27 -9.315 -6.067 0.591 190 2HG LYS 27 2HG LYS 27 -10.465 -5.936 1.924 191 1HD LYS 27 1HD LYS 27 -10.958 -4.290 -0.500 192 2HD LYS 27 2HD LYS 27 -11.247 -6.028 -0.613 193 1HE LYS 27 1HE LYS 27 -12.566 -5.691 1.596 194 2HE LYS 27 2HE LYS 27 -12.585 -3.992 1.126 195 1HZ LYS 27 1HZ LYS 27 -14.203 -6.096 0.183 196 2HZ LYS 27 2HZ LYS 27 -13.316 -5.466 -1.112 197 3HZ LYS 27 3HZ LYS 27 -14.294 -4.446 -0.181 198 H LEU 28 H LEU 28 -7.139 -5.101 0.174 199 HA LEU 28 HA LEU 28 -7.190 -7.815 0.226 200 1HB LEU 28 1HB LEU 28 -4.928 -6.094 -0.778 201 2HB LEU 28 2HB LEU 28 -5.180 -7.786 -1.201 202 HG LEU 28 HG LEU 28 -7.235 -5.679 -1.808 203 1HD1 LEU 28 1HD1 LEU 28 -4.681 -5.610 -2.827 204 2HD1 LEU 28 2HD1 LEU 28 -6.115 -4.908 -3.574 205 3HD1 LEU 28 3HD1 LEU 28 -5.576 -6.519 -4.045 206 1HD2 LEU 28 1HD2 LEU 28 -6.830 -7.998 -3.559 207 2HD2 LEU 28 2HD2 LEU 28 -8.319 -7.297 -2.924 208 3HD2 LEU 28 3HD2 LEU 28 -7.363 -8.391 -1.924 209 H LEU 29 H LEU 29 -4.652 -5.772 1.643 210 HA LEU 29 HA LEU 29 -2.951 -7.768 2.548 211 1HB LEU 29 1HB LEU 29 -2.233 -5.512 2.627 212 2HB LEU 29 2HB LEU 29 -3.588 -5.045 3.653 213 HG LEU 29 HG LEU 29 -2.552 -6.533 5.437 214 1HD1 LEU 29 1HD1 LEU 29 -1.000 -7.877 4.407 215 2HD1 LEU 29 2HD1 LEU 29 0.029 -6.597 5.049 216 3HD1 LEU 29 3HD1 LEU 29 -0.427 -6.591 3.345 217 1HD2 LEU 29 1HD2 LEU 29 -2.343 -4.318 5.952 218 2HD2 LEU 29 2HD2 LEU 29 -1.510 -3.930 4.446 219 3HD2 LEU 29 3HD2 LEU 29 -0.641 -4.737 5.754 220 H GLU 30 H GLU 30 -5.491 -6.109 4.430 221 HA GLU 30 HA GLU 30 -5.320 -7.601 6.746 222 1HB GLU 30 1HB GLU 30 -7.795 -6.424 5.470 223 2HB GLU 30 2HB GLU 30 -7.689 -6.977 7.136 224 1HG GLU 30 1HG GLU 30 -6.237 -5.248 7.741 225 2HG GLU 30 2HG GLU 30 -5.849 -4.870 6.063 226 H LEU 31 H LEU 31 -7.294 -8.252 3.866 227 HA LEU 31 HA LEU 31 -8.524 -10.589 4.834 228 1HB LEU 31 1HB LEU 31 -8.080 -9.374 2.159 229 2HB LEU 31 2HB LEU 31 -8.582 -11.062 2.228 230 HG LEU 31 HG LEU 31 -10.447 -9.451 1.891 231 1HD1 LEU 31 1HD1 LEU 31 -10.718 -10.850 4.534 232 2HD1 LEU 31 2HD1 LEU 31 -10.639 -11.728 3.007 233 3HD1 LEU 31 3HD1 LEU 31 -11.947 -10.582 3.298 234 1HD2 LEU 31 1HD2 LEU 31 -9.174 -8.010 3.889 235 2HD2 LEU 31 2HD2 LEU 31 -10.619 -8.653 4.670 236 3HD2 LEU 31 3HD2 LEU 31 -10.766 -7.682 3.204 237 H ALA 32 H ALA 32 -5.371 -9.991 3.544 238 HA ALA 32 HA ALA 32 -4.820 -12.777 2.984 239 1HB ALA 32 1HB ALA 32 -3.662 -11.427 1.519 240 2HB ALA 32 2HB ALA 32 -3.275 -10.232 2.758 241 3HB ALA 32 3HB ALA 32 -2.427 -11.778 2.729 242 H LEU 33 H LEU 33 -4.021 -10.392 5.463 243 HA LEU 33 HA LEU 33 -2.106 -11.767 6.899 244 1HB LEU 33 1HB LEU 33 -4.159 -9.736 7.563 245 2HB LEU 33 2HB LEU 33 -3.399 -10.581 8.910 246 HG LEU 33 HG LEU 33 -2.417 -8.330 8.189 247 1HD1 LEU 33 1HD1 LEU 33 -0.862 -10.851 8.622 248 2HD1 LEU 33 2HD1 LEU 33 -1.181 -9.529 9.744 249 3HD1 LEU 33 3HD1 LEU 33 -0.041 -9.303 8.417 250 1HD2 LEU 33 1HD2 LEU 33 -1.594 -10.089 5.903 251 2HD2 LEU 33 2HD2 LEU 33 -0.621 -8.703 6.394 252 3HD2 LEU 33 3HD2 LEU 33 -2.287 -8.468 5.862 253 H GLN 34 H GLN 34 -5.607 -12.145 6.944 254 HA GLN 34 HA GLN 34 -5.726 -13.889 9.169 255 1HB GLN 34 1HB GLN 34 -7.662 -13.767 6.854 256 2HB GLN 34 2HB GLN 34 -7.987 -14.355 8.479 257 1HG GLN 34 1HG GLN 34 -7.246 -11.895 9.117 258 2HG GLN 34 2HG GLN 34 -7.781 -11.578 7.467 259 1HE2 GLN 34 1HE2 GLN 34 -9.957 -11.988 6.918 260 2HE2 GLN 34 2HE2 GLN 34 -11.188 -12.043 8.129 261 H GLN 35 H GLN 35 -5.845 -14.545 5.667 262 HA GLN 35 HA GLN 35 -5.900 -17.334 5.851 263 1HB GLN 35 1HB GLN 35 -4.974 -15.445 3.704 264 2HB GLN 35 2HB GLN 35 -4.849 -17.187 3.499 265 1HG GLN 35 1HG GLN 35 -7.253 -17.408 3.794 266 2HG GLN 35 2HG GLN 35 -7.390 -15.667 4.036 267 1HE2 GLN 35 1HE2 GLN 35 -5.988 -14.529 2.144 268 2HE2 GLN 35 2HE2 GLN 35 -6.514 -14.994 0.566 269 H TYR 36 H TYR 36 -3.156 -15.106 5.560 270 HA TYR 36 HA TYR 36 -1.391 -17.320 6.378 271 1HB TYR 36 1HB TYR 36 -0.453 -15.000 4.708 272 2HB TYR 36 2HB TYR 36 0.321 -16.562 4.950 273 HD1 TYR 36 HD1 TYR 36 -2.332 -14.766 3.159 274 HD2 TYR 36 HD2 TYR 36 -0.350 -18.496 3.668 275 HE1 TYR 36 HE1 TYR 36 -3.376 -15.596 1.093 276 HE2 TYR 36 HE2 TYR 36 -1.389 -19.336 1.603 277 HH TYR 36 HH TYR 36 -3.556 -18.761 0.268 278 HA PRO 37 HA PRO 37 -1.113 -14.167 9.684 279 1HB PRO 37 1HB PRO 37 -0.593 -15.975 11.642 280 2HB PRO 37 2HB PRO 37 -2.231 -15.593 11.097 281 1HG PRO 37 1HG PRO 37 -0.480 -17.907 10.359 282 2HG PRO 37 2HG PRO 37 -2.211 -17.891 10.743 283 1HD PRO 37 1HD PRO 37 -1.284 -17.984 8.201 284 2HD PRO 37 2HD PRO 37 -2.801 -17.171 8.635 285 H ARG 38 H ARG 38 0.721 -13.115 10.116 286 HA ARG 38 HA ARG 38 3.171 -13.525 9.157 287 1HB ARG 38 1HB ARG 38 4.076 -12.128 10.848 288 2HB ARG 38 2HB ARG 38 2.408 -11.614 10.630 289 1HG ARG 38 1HG ARG 38 1.802 -13.017 12.606 290 2HG ARG 38 2HG ARG 38 3.527 -13.286 12.864 291 1HD ARG 38 1HD ARG 38 3.642 -10.674 12.760 292 2HD ARG 38 2HD ARG 38 1.928 -10.783 13.157 293 HE ARG 38 HE ARG 38 3.332 -12.402 14.944 294 1HH1 ARG 38 1HH1 ARG 38 3.004 -9.031 14.141 295 2HH1 ARG 38 2HH1 ARG 38 3.358 -8.480 15.745 296 1HH2 ARG 38 1HH2 ARG 38 3.800 -11.689 17.060 297 2HH2 ARG 38 2HH2 ARG 38 3.812 -9.993 17.404 298 H GLY 39 H GLY 39 5.139 -14.492 9.804 299 1HA GLY 39 1HA GLY 39 5.519 -16.096 12.058 300 2HA GLY 39 2HA GLY 39 4.889 -17.130 10.783 301 H SER 40 H SER 40 6.190 -15.632 8.646 302 HA SER 40 HA SER 40 8.990 -15.550 9.071 303 1HB SER 40 1HB SER 40 9.691 -17.548 7.912 304 2HB SER 40 2HB SER 40 8.599 -18.023 9.213 305 HG SER 40 HG SER 40 7.918 -17.729 6.472 306 H SER 41 H SER 41 10.160 -14.964 7.182 307 HA SER 41 HA SER 41 9.155 -13.129 5.531 308 1HB SER 41 1HB SER 41 11.310 -15.154 5.101 309 2HB SER 41 2HB SER 41 10.829 -14.138 3.741 310 HG SER 41 HG SER 41 11.668 -13.212 6.292 311 H ASP 42 H ASP 42 9.052 -16.610 4.854 312 HA ASP 42 HA ASP 42 7.822 -16.482 2.349 313 1HB ASP 42 1HB ASP 42 7.374 -18.659 4.395 314 2HB ASP 42 2HB ASP 42 7.284 -18.800 2.641 315 H CYS 43 H CYS 43 6.387 -16.722 5.587 316 HA CYS 43 HA CYS 43 3.742 -17.028 5.010 317 1HB CYS 43 1HB CYS 43 4.988 -15.240 7.106 318 2HB CYS 43 2HB CYS 43 3.280 -15.662 7.064 319 HG CYS 43 HG CYS 43 4.976 -18.443 6.916 320 H TRP 44 H TRP 44 5.189 -13.809 5.538 321 HA TRP 44 HA TRP 44 3.047 -12.329 4.570 322 1HB TRP 44 1HB TRP 44 6.000 -11.687 4.618 323 2HB TRP 44 2HB TRP 44 4.757 -10.512 4.193 324 HD1 TRP 44 HD1 TRP 44 6.306 -12.285 7.170 325 HE1 TRP 44 HE1 TRP 44 5.380 -11.254 9.338 326 HE3 TRP 44 HE3 TRP 44 2.624 -9.356 5.169 327 HZ2 TRP 44 HZ2 TRP 44 3.357 -9.439 10.100 328 HZ3 TRP 44 HZ3 TRP 44 1.238 -8.003 6.686 329 HH2 TRP 44 HH2 TRP 44 1.598 -8.046 9.101 330 H ASP 45 H ASP 45 5.857 -13.617 2.847 331 HA ASP 45 HA ASP 45 5.821 -12.507 0.426 332 1HB ASP 45 1HB ASP 45 6.953 -14.732 1.318 333 2HB ASP 45 2HB ASP 45 5.652 -15.488 0.403 334 H LYS 46 H LYS 46 3.611 -15.192 1.226 335 HA LYS 46 HA LYS 46 2.107 -15.131 -1.109 336 1HB LYS 46 1HB LYS 46 1.641 -16.107 1.664 337 2HB LYS 46 2HB LYS 46 0.242 -15.971 0.607 338 1HG LYS 46 1HG LYS 46 0.957 -17.636 -0.787 339 2HG LYS 46 2HG LYS 46 2.661 -17.367 -0.413 340 1HD LYS 46 1HD LYS 46 2.493 -18.495 1.648 341 2HD LYS 46 2HD LYS 46 0.729 -18.445 1.622 342 1HE LYS 46 1HE LYS 46 1.043 -20.603 0.964 343 2HE LYS 46 2HE LYS 46 1.093 -19.817 -0.614 344 1HZ LYS 46 1HZ LYS 46 3.413 -20.670 1.028 345 2HZ LYS 46 2HZ LYS 46 3.545 -19.746 -0.383 346 3HZ LYS 46 3HZ LYS 46 2.920 -21.317 -0.456 347 H ILE 47 H ILE 47 1.414 -13.525 1.995 348 HA ILE 47 HA ILE 47 -0.946 -12.295 1.489 349 HB ILE 47 HB ILE 47 1.449 -11.040 2.835 350 1HG1 ILE 47 1HG1 ILE 47 -0.952 -12.304 4.146 351 2HG1 ILE 47 2HG1 ILE 47 0.464 -13.251 3.703 352 1HG2 ILE 47 1HG2 ILE 47 0.269 -9.184 3.114 353 2HG2 ILE 47 2HG2 ILE 47 -1.009 -9.860 2.106 354 3HG2 ILE 47 3HG2 ILE 47 -1.043 -10.102 3.852 355 1HD1 ILE 47 1HD1 ILE 47 0.024 -11.634 6.008 356 2HD1 ILE 47 2HD1 ILE 47 1.381 -12.696 5.632 357 3HD1 ILE 47 3HD1 ILE 47 1.409 -11.012 5.110 358 H ALA 48 H ALA 48 2.206 -11.348 0.236 359 HA ALA 48 HA ALA 48 1.424 -8.879 -0.889 360 1HB ALA 48 1HB ALA 48 3.545 -8.742 -1.659 361 2HB ALA 48 2HB ALA 48 3.796 -10.072 -0.527 362 3HB ALA 48 3HB ALA 48 3.560 -10.407 -2.242 363 H ARG 49 H ARG 49 1.374 -12.185 -2.103 364 HA ARG 49 HA ARG 49 0.988 -11.852 -4.784 365 1HB ARG 49 1HB ARG 49 -0.382 -13.783 -2.909 366 2HB ARG 49 2HB ARG 49 -0.492 -13.891 -4.661 367 1HG ARG 49 1HG ARG 49 2.063 -13.964 -4.634 368 2HG ARG 49 2HG ARG 49 1.903 -14.288 -2.906 369 1HD ARG 49 1HD ARG 49 0.679 -15.911 -5.135 370 2HD ARG 49 2HD ARG 49 2.102 -16.357 -4.195 371 HE ARG 49 HE ARG 49 -0.097 -15.875 -2.483 372 1HH1 ARG 49 1HH1 ARG 49 1.146 -18.202 -4.755 373 2HH1 ARG 49 2HH1 ARG 49 0.345 -19.548 -4.013 374 1HH2 ARG 49 1HH2 ARG 49 -1.156 -17.638 -1.498 375 2HH2 ARG 49 2HH2 ARG 49 -0.965 -19.226 -2.161 376 H CYS 50 H CYS 50 -1.486 -11.590 -2.251 377 HA CYS 50 HA CYS 50 -3.588 -10.966 -4.085 378 1HB CYS 50 1HB CYS 50 -3.644 -11.905 -1.604 379 2HB CYS 50 2HB CYS 50 -3.758 -10.195 -1.206 380 HG CYS 50 HG CYS 50 -6.009 -9.995 -3.124 381 H VAL 51 H VAL 51 -1.070 -9.176 -2.634 382 HA VAL 51 HA VAL 51 -2.445 -6.628 -3.132 383 HB VAL 51 HB VAL 51 0.227 -6.932 -1.780 384 1HG1 VAL 51 1HG1 VAL 51 -0.064 -4.697 -2.247 385 2HG1 VAL 51 2HG1 VAL 51 -1.818 -4.776 -2.066 386 3HG1 VAL 51 3HG1 VAL 51 -0.780 -4.808 -0.639 387 1HG2 VAL 51 1HG2 VAL 51 -0.791 -7.144 0.330 388 2HG2 VAL 51 2HG2 VAL 51 -2.394 -6.787 -0.314 389 3HG2 VAL 51 3HG2 VAL 51 -1.611 -8.321 -0.696 390 HA PRO 52 HA PRO 52 0.107 -6.836 -6.893 391 1HB PRO 52 1HB PRO 52 -1.445 -5.097 -8.286 392 2HB PRO 52 2HB PRO 52 -1.830 -6.815 -8.129 393 1HG PRO 52 1HG PRO 52 -2.928 -4.481 -6.610 394 2HG PRO 52 2HG PRO 52 -3.784 -5.882 -7.280 395 1HD PRO 52 1HD PRO 52 -3.132 -5.690 -4.659 396 2HD PRO 52 2HD PRO 52 -3.196 -7.243 -5.516 397 H SER 53 H SER 53 -1.400 -3.807 -5.745 398 HA SER 53 HA SER 53 0.584 -2.097 -6.756 399 1HB SER 53 1HB SER 53 -0.926 -1.377 -4.273 400 2HB SER 53 2HB SER 53 -0.541 -0.381 -5.676 401 HG SER 53 HG SER 53 -2.625 -0.826 -5.990 402 H LYS 54 H LYS 54 0.076 -3.241 -3.417 403 HA LYS 54 HA LYS 54 2.769 -2.363 -2.712 404 1HB LYS 54 1HB LYS 54 0.886 -3.712 -0.809 405 2HB LYS 54 2HB LYS 54 2.129 -2.514 -0.475 406 1HG LYS 54 1HG LYS 54 -0.213 -1.750 -2.151 407 2HG LYS 54 2HG LYS 54 -0.397 -1.869 -0.399 408 1HD LYS 54 1HD LYS 54 0.979 -0.087 0.003 409 2HD LYS 54 2HD LYS 54 1.932 -0.355 -1.459 410 1HE LYS 54 1HE LYS 54 -0.920 0.459 -1.734 411 2HE LYS 54 2HE LYS 54 0.263 1.676 -1.259 412 1HZ LYS 54 1HZ LYS 54 0.075 0.159 -3.774 413 2HZ LYS 54 2HZ LYS 54 1.571 0.768 -3.272 414 3HZ LYS 54 3HZ LYS 54 0.276 1.823 -3.543 415 H SER 55 H SER 55 4.412 -3.716 -2.117 416 HA SER 55 HA SER 55 4.098 -6.509 -2.896 417 1HB SER 55 1HB SER 55 6.542 -4.843 -2.264 418 2HB SER 55 2HB SER 55 6.603 -6.558 -2.667 419 HG SER 55 HG SER 55 6.725 -5.806 -4.635 420 H LYS 56 H LYS 56 5.739 -7.957 -1.487 421 HA LYS 56 HA LYS 56 4.463 -8.456 0.930 422 1HB LYS 56 1HB LYS 56 5.802 -10.148 -0.179 423 2HB LYS 56 2HB LYS 56 7.260 -9.192 0.051 424 1HG LYS 56 1HG LYS 56 5.669 -10.048 2.424 425 2HG LYS 56 2HG LYS 56 6.747 -11.195 1.625 426 1HD LYS 56 1HD LYS 56 8.432 -9.148 1.818 427 2HD LYS 56 2HD LYS 56 7.382 -8.744 3.179 428 1HE LYS 56 1HE LYS 56 7.777 -10.908 4.175 429 2HE LYS 56 2HE LYS 56 8.715 -11.419 2.773 430 1HZ LYS 56 1HZ LYS 56 10.336 -10.800 4.263 431 2HZ LYS 56 2HZ LYS 56 9.442 -9.508 4.890 432 3HZ LYS 56 3HZ LYS 56 10.157 -9.379 3.363 433 H GLU 57 H GLU 57 7.659 -6.946 0.440 434 HA GLU 57 HA GLU 57 8.281 -6.356 3.051 435 1HB GLU 57 1HB GLU 57 8.866 -4.848 0.509 436 2HB GLU 57 2HB GLU 57 9.511 -4.343 2.064 437 1HG GLU 57 1HG GLU 57 10.588 -6.547 2.299 438 2HG GLU 57 2HG GLU 57 10.000 -6.977 0.694 439 H ASP 58 H ASP 58 6.285 -4.469 0.816 440 HA ASP 58 HA ASP 58 5.843 -2.289 2.562 441 1HB ASP 58 1HB ASP 58 4.109 -3.274 0.286 442 2HB ASP 58 2HB ASP 58 4.024 -1.683 1.035 443 H CYS 59 H CYS 59 4.130 -5.320 2.015 444 HA CYS 59 HA CYS 59 1.797 -4.807 3.436 445 1HB CYS 59 1HB CYS 59 3.351 -7.346 2.970 446 2HB CYS 59 2HB CYS 59 1.836 -7.338 3.864 447 HG CYS 59 HG CYS 59 2.231 -7.628 0.690 448 H ILE 60 H ILE 60 4.914 -6.038 4.598 449 HA ILE 60 HA ILE 60 4.093 -6.371 7.292 450 HB ILE 60 HB ILE 60 6.833 -6.072 6.069 451 1HG1 ILE 60 1HG1 ILE 60 5.771 -8.546 7.371 452 2HG1 ILE 60 2HG1 ILE 60 5.219 -8.137 5.750 453 1HG2 ILE 60 1HG2 ILE 60 6.792 -5.283 8.417 454 2HG2 ILE 60 2HG2 ILE 60 6.176 -6.863 8.901 455 3HG2 ILE 60 3HG2 ILE 60 7.780 -6.724 8.183 456 1HD1 ILE 60 1HD1 ILE 60 7.797 -9.170 6.660 457 2HD1 ILE 60 2HD1 ILE 60 6.996 -9.318 5.095 458 3HD1 ILE 60 3HD1 ILE 60 7.904 -7.858 5.487 459 H ALA 61 H ALA 61 5.813 -3.770 5.598 460 HA ALA 61 HA ALA 61 6.315 -2.128 7.801 461 1HB ALA 61 1HB ALA 61 7.465 -1.486 5.913 462 2HB ALA 61 2HB ALA 61 6.052 -1.640 4.869 463 3HB ALA 61 3HB ALA 61 6.187 -0.272 5.972 464 H ARG 62 H ARG 62 3.370 -2.880 6.238 465 HA ARG 62 HA ARG 62 2.010 -0.485 7.178 466 1HB ARG 62 1HB ARG 62 1.470 -1.444 4.956 467 2HB ARG 62 2HB ARG 62 0.895 -2.904 5.749 468 1HG ARG 62 1HG ARG 62 -1.047 -1.719 5.313 469 2HG ARG 62 2HG ARG 62 -0.712 -1.344 7.005 470 1HD ARG 62 1HD ARG 62 0.617 0.668 5.912 471 2HD ARG 62 2HD ARG 62 -0.519 0.384 4.594 472 HE ARG 62 HE ARG 62 -2.093 0.486 6.811 473 1HH1 ARG 62 1HH1 ARG 62 0.285 2.607 5.407 474 2HH1 ARG 62 2HH1 ARG 62 -0.462 4.052 6.002 475 1HH2 ARG 62 1HH2 ARG 62 -3.086 2.382 7.601 476 2HH2 ARG 62 2HH2 ARG 62 -2.379 3.923 7.251 477 H TYR 63 H TYR 63 1.946 -3.987 7.741 478 HA TYR 63 HA TYR 63 -0.111 -4.213 9.528 479 1HB TYR 63 1HB TYR 63 1.196 -6.126 8.717 480 2HB TYR 63 2HB TYR 63 2.568 -5.610 9.691 481 HD1 TYR 63 HD1 TYR 63 -0.764 -7.135 9.755 482 HD2 TYR 63 HD2 TYR 63 2.585 -5.941 12.092 483 HE1 TYR 63 HE1 TYR 63 -1.614 -8.464 11.642 484 HE2 TYR 63 HE2 TYR 63 1.745 -7.267 13.985 485 HH TYR 63 HH TYR 63 -1.098 -9.329 13.666 486 H LYS 64 H LYS 64 3.141 -3.010 10.134 487 HA LYS 64 HA LYS 64 3.225 -2.942 12.878 488 1HB LYS 64 1HB LYS 64 4.285 -1.021 10.818 489 2HB LYS 64 2HB LYS 64 4.574 -0.776 12.535 490 1HG LYS 64 1HG LYS 64 6.007 -2.538 12.690 491 2HG LYS 64 2HG LYS 64 5.225 -3.433 11.385 492 1HD LYS 64 1HD LYS 64 6.149 -1.727 9.792 493 2HD LYS 64 2HD LYS 64 7.080 -1.068 11.140 494 1HE LYS 64 1HE LYS 64 7.928 -3.489 11.435 495 2HE LYS 64 2HE LYS 64 7.326 -3.737 9.797 496 1HZ LYS 64 1HZ LYS 64 9.153 -2.800 9.010 497 2HZ LYS 64 2HZ LYS 64 9.748 -2.600 10.580 498 3HZ LYS 64 3HZ LYS 64 8.836 -1.372 9.859 499 H LEU 65 H LEU 65 1.522 -0.765 10.698 500 HA LEU 65 HA LEU 65 0.688 0.992 12.831 501 1HB LEU 65 1HB LEU 65 -0.254 0.841 9.971 502 2HB LEU 65 2HB LEU 65 -0.581 2.149 11.106 503 HG LEU 65 HG LEU 65 2.071 2.267 11.153 504 1HD1 LEU 65 1HD1 LEU 65 2.934 0.782 9.709 505 2HD1 LEU 65 2HD1 LEU 65 2.493 1.978 8.491 506 3HD1 LEU 65 3HD1 LEU 65 1.422 0.615 8.815 507 1HD2 LEU 65 1HD2 LEU 65 1.930 4.112 9.699 508 2HD2 LEU 65 2HD2 LEU 65 0.342 3.993 10.458 509 3HD2 LEU 65 3HD2 LEU 65 0.578 3.412 8.809 510 H LEU 66 H LEU 66 -0.651 -1.680 10.997 511 HA LEU 66 HA LEU 66 -3.345 -1.416 11.683 512 1HB LEU 66 1HB LEU 66 -1.594 -3.686 10.880 513 2HB LEU 66 2HB LEU 66 -3.205 -4.043 11.500 514 HG LEU 66 HG LEU 66 -3.894 -2.259 9.655 515 1HD1 LEU 66 1HD1 LEU 66 -1.352 -2.073 9.132 516 2HD1 LEU 66 2HD1 LEU 66 -2.519 -2.119 7.812 517 3HD1 LEU 66 3HD1 LEU 66 -1.616 -3.571 8.240 518 1HD2 LEU 66 1HD2 LEU 66 -4.043 -4.262 8.055 519 2HD2 LEU 66 2HD2 LEU 66 -4.882 -4.370 9.602 520 3HD2 LEU 66 3HD2 LEU 66 -3.337 -5.192 9.377 521 H VAL 67 H VAL 67 -0.642 -2.788 13.453 522 HA VAL 67 HA VAL 67 -2.337 -3.807 15.569 523 HB VAL 67 HB VAL 67 -0.179 -4.361 16.695 524 1HG1 VAL 67 1HG1 VAL 67 0.203 -6.254 15.408 525 2HG1 VAL 67 2HG1 VAL 67 -1.439 -5.797 14.948 526 3HG1 VAL 67 3HG1 VAL 67 -0.083 -5.403 13.890 527 1HG2 VAL 67 1HG2 VAL 67 1.054 -3.332 14.141 528 2HG2 VAL 67 2HG2 VAL 67 1.156 -2.541 15.714 529 3HG2 VAL 67 3HG2 VAL 67 1.904 -4.119 15.470 530 H SER 68 H SER 68 -0.176 -1.083 15.012 531 HA SER 68 HA SER 68 0.137 -0.059 17.535 532 1HB SER 68 1HB SER 68 1.120 0.888 15.437 533 2HB SER 68 2HB SER 68 -0.450 1.606 15.076 534 HG SER 68 HG SER 68 1.445 2.324 16.973 535 H GLY 69 H GLY 69 -2.693 0.161 15.445 536 1HA GLY 69 1HA GLY 69 -4.116 1.601 17.588 537 2HA GLY 69 2HA GLY 69 -4.587 1.593 15.895 538 HA PRO 70 HA PRO 70 -5.820 -2.674 17.885 539 1HB PRO 70 1HB PRO 70 -6.093 -2.612 20.585 540 2HB PRO 70 2HB PRO 70 -4.586 -3.068 19.783 541 1HG PRO 70 1HG PRO 70 -5.369 -0.445 20.995 542 2HG PRO 70 2HG PRO 70 -3.826 -1.313 21.106 543 1HD PRO 70 1HD PRO 70 -4.208 0.769 19.417 544 2HD PRO 70 2HD PRO 70 -3.123 -0.583 19.036 545 H SER 71 H SER 71 -7.949 -3.229 18.037 546 HA SER 71 HA SER 71 -9.867 -1.095 18.155 547 1HB SER 71 1HB SER 71 -10.089 -4.072 17.725 548 2HB SER 71 2HB SER 71 -11.513 -3.039 17.851 549 HG SER 71 HG SER 71 -9.747 -3.340 15.784 550 H SER 72 H SER 72 -11.926 -1.429 19.455 551 HA SER 72 HA SER 72 -11.203 -1.578 22.226 552 1HB SER 72 1HB SER 72 -12.796 0.087 21.734 553 2HB SER 72 2HB SER 72 -13.771 -1.011 20.757 554 HG SER 72 HG SER 72 -14.330 -2.109 22.673 555 H GLY 73 H GLY 73 -13.224 -3.503 20.037 556 1HA GLY 73 1HA GLY 73 -13.053 -5.954 20.367 557 2HA GLY 73 2HA GLY 73 -13.225 -5.634 22.087 Start of MODEL 20 1 1H GLY 1 1H GLY 1 26.669 32.825 17.215 2 1HA GLY 1 1HA GLY 1 28.431 34.152 16.545 3 2HA GLY 1 2HA GLY 1 29.404 32.696 16.394 4 H SER 2 H SER 2 29.999 32.118 14.414 5 HA SER 2 HA SER 2 29.608 33.603 12.154 6 1HB SER 2 1HB SER 2 30.338 31.637 10.866 7 2HB SER 2 2HB SER 2 31.301 31.829 12.331 8 HG SER 2 HG SER 2 30.675 29.675 12.097 9 H SER 3 H SER 3 28.505 32.886 10.089 10 HA SER 3 HA SER 3 25.690 32.578 10.647 11 1HB SER 3 1HB SER 3 27.115 32.858 7.990 12 2HB SER 3 2HB SER 3 25.379 33.011 8.258 13 HG SER 3 HG SER 3 26.240 34.701 9.896 14 H GLY 4 H GLY 4 24.396 31.113 9.123 15 1HA GLY 4 1HA GLY 4 25.616 28.739 8.130 16 2HA GLY 4 2HA GLY 4 24.902 28.457 9.711 17 H SER 5 H SER 5 24.347 28.404 6.432 18 HA SER 5 HA SER 5 21.469 28.119 6.877 19 1HB SER 5 1HB SER 5 20.947 29.435 4.864 20 2HB SER 5 2HB SER 5 21.778 30.419 6.068 21 HG SER 5 HG SER 5 23.672 29.399 4.608 22 H SER 6 H SER 6 20.598 26.440 5.813 23 HA SER 6 HA SER 6 22.250 25.126 3.754 24 1HB SER 6 1HB SER 6 20.433 23.802 5.784 25 2HB SER 6 2HB SER 6 21.364 22.970 4.538 26 HG SER 6 HG SER 6 22.537 24.618 6.523 27 H GLY 7 H GLY 7 21.106 23.970 2.095 28 1HA GLY 7 1HA GLY 7 18.246 24.517 1.844 29 2HA GLY 7 2HA GLY 7 19.300 25.208 0.619 30 H SER 8 H SER 8 19.492 24.051 -1.168 31 HA SER 8 HA SER 8 19.101 22.307 -2.621 32 1HB SER 8 1HB SER 8 20.761 20.625 -2.434 33 2HB SER 8 2HB SER 8 21.466 22.052 -1.673 34 HG SER 8 HG SER 8 20.787 21.159 0.354 35 H LEU 9 H LEU 9 16.960 22.511 -0.867 36 HA LEU 9 HA LEU 9 16.189 20.370 0.634 37 1HB LEU 9 1HB LEU 9 14.656 22.160 -1.210 38 2HB LEU 9 2HB LEU 9 13.842 20.846 -0.363 39 HG LEU 9 HG LEU 9 15.000 22.003 1.735 40 1HD1 LEU 9 1HD1 LEU 9 15.416 23.876 -0.394 41 2HD1 LEU 9 2HD1 LEU 9 15.933 23.964 1.289 42 3HD1 LEU 9 3HD1 LEU 9 14.345 24.573 0.822 43 1HD2 LEU 9 1HD2 LEU 9 12.460 21.767 0.759 44 2HD2 LEU 9 2HD2 LEU 9 12.637 23.516 0.906 45 3HD2 LEU 9 3HD2 LEU 9 12.891 22.482 2.313 46 H ARG 10 H ARG 10 15.180 18.392 0.279 47 HA ARG 10 HA ARG 10 15.215 17.398 -2.491 48 1HB ARG 10 1HB ARG 10 16.135 15.296 -1.778 49 2HB ARG 10 2HB ARG 10 17.183 16.581 -1.193 50 1HG ARG 10 1HG ARG 10 15.045 15.551 0.602 51 2HG ARG 10 2HG ARG 10 16.498 14.581 0.352 52 1HD ARG 10 1HD ARG 10 17.876 16.155 1.329 53 2HD ARG 10 2HD ARG 10 16.757 17.480 1.014 54 HE ARG 10 HE ARG 10 15.599 15.648 2.822 55 1HH1 ARG 10 1HH1 ARG 10 18.065 18.098 2.634 56 2HH1 ARG 10 2HH1 ARG 10 17.967 18.511 4.313 57 1HH2 ARG 10 1HH2 ARG 10 15.460 16.183 5.035 58 2HH2 ARG 10 2HH2 ARG 10 16.485 17.420 5.678 59 H LYS 11 H LYS 11 13.658 15.845 -3.019 60 HA LYS 11 HA LYS 11 11.202 16.070 -1.590 61 1HB LYS 11 1HB LYS 11 12.093 14.477 -3.979 62 2HB LYS 11 2HB LYS 11 10.498 14.244 -3.277 63 1HG LYS 11 1HG LYS 11 9.835 16.442 -3.793 64 2HG LYS 11 2HG LYS 11 11.492 16.941 -4.142 65 1HD LYS 11 1HD LYS 11 10.289 14.731 -5.740 66 2HD LYS 11 2HD LYS 11 9.799 16.392 -6.083 67 1HE LYS 11 1HE LYS 11 12.181 16.996 -6.353 68 2HE LYS 11 2HE LYS 11 12.614 15.306 -6.100 69 1HZ LYS 11 1HZ LYS 11 10.648 15.463 -8.103 70 2HZ LYS 11 2HZ LYS 11 12.241 14.909 -8.231 71 3HZ LYS 11 3HZ LYS 11 11.891 16.545 -8.486 72 H GLU 12 H GLU 12 10.137 14.596 -0.324 73 HA GLU 12 HA GLU 12 11.675 12.207 0.460 74 1HB GLU 12 1HB GLU 12 10.851 12.442 2.706 75 2HB GLU 12 2HB GLU 12 11.563 13.973 2.215 76 1HG GLU 12 1HG GLU 12 9.565 15.061 2.197 77 2HG GLU 12 2HG GLU 12 8.649 13.607 1.806 78 H ARG 13 H ARG 13 9.825 12.209 -1.665 79 HA ARG 13 HA ARG 13 7.421 10.945 -0.580 80 1HB ARG 13 1HB ARG 13 6.541 11.076 -2.850 81 2HB ARG 13 2HB ARG 13 7.132 12.648 -2.328 82 1HG ARG 13 1HG ARG 13 9.223 12.228 -3.587 83 2HG ARG 13 2HG ARG 13 8.515 10.726 -4.186 84 1HD ARG 13 1HD ARG 13 8.200 12.396 -5.861 85 2HD ARG 13 2HD ARG 13 6.633 12.078 -5.118 86 HE ARG 13 HE ARG 13 7.489 14.173 -3.695 87 1HH1 ARG 13 1HH1 ARG 13 7.411 13.595 -7.127 88 2HH1 ARG 13 2HH1 ARG 13 7.219 15.267 -7.537 89 1HH2 ARG 13 1HH2 ARG 13 7.236 16.378 -4.222 90 2HH2 ARG 13 2HH2 ARG 13 7.120 16.850 -5.883 91 H ALA 14 H ALA 14 10.104 10.268 -2.799 92 HA ALA 14 HA ALA 14 9.412 7.699 -3.579 93 1HB ALA 14 1HB ALA 14 11.760 7.361 -4.086 94 2HB ALA 14 2HB ALA 14 11.262 8.987 -4.555 95 3HB ALA 14 3HB ALA 14 12.197 8.743 -3.080 96 H ARG 15 H ARG 15 11.643 8.576 -0.930 97 HA ARG 15 HA ARG 15 11.603 5.892 0.110 98 1HB ARG 15 1HB ARG 15 13.149 6.685 1.763 99 2HB ARG 15 2HB ARG 15 13.605 7.384 0.215 100 1HG ARG 15 1HG ARG 15 12.088 9.371 1.065 101 2HG ARG 15 2HG ARG 15 12.504 8.691 2.639 102 1HD ARG 15 1HD ARG 15 14.669 9.142 0.642 103 2HD ARG 15 2HD ARG 15 14.009 10.528 1.509 104 HE ARG 15 HE ARG 15 14.793 8.310 3.184 105 1HH1 ARG 15 1HH1 ARG 15 15.769 11.290 1.670 106 2HH1 ARG 15 2HH1 ARG 15 17.065 11.582 2.782 107 1HH2 ARG 15 1HH2 ARG 15 16.496 8.684 4.654 108 2HH2 ARG 15 2HH2 ARG 15 17.478 10.099 4.479 109 H SER 16 H SER 16 9.326 8.167 0.162 110 HA SER 16 HA SER 16 8.456 8.841 2.587 111 1HB SER 16 1HB SER 16 7.015 9.300 0.764 112 2HB SER 16 2HB SER 16 6.870 7.593 0.345 113 HG SER 16 HG SER 16 5.407 7.328 1.867 114 H ALA 17 H ALA 17 8.772 7.737 4.419 115 HA ALA 17 HA ALA 17 8.849 4.988 4.756 116 1HB ALA 17 1HB ALA 17 7.891 5.986 7.176 117 2HB ALA 17 2HB ALA 17 9.576 5.742 6.716 118 3HB ALA 17 3HB ALA 17 8.811 7.311 6.462 119 H GLU 18 H GLU 18 6.101 7.198 5.197 120 HA GLU 18 HA GLU 18 4.329 4.846 5.286 121 1HB GLU 18 1HB GLU 18 4.269 7.472 6.677 122 2HB GLU 18 2HB GLU 18 2.723 6.786 6.195 123 1HG GLU 18 1HG GLU 18 4.689 5.112 7.688 124 2HG GLU 18 2HG GLU 18 3.693 6.285 8.547 125 H GLU 19 H GLU 19 4.060 4.618 3.068 126 HA GLU 19 HA GLU 19 3.199 6.862 1.463 127 1HB GLU 19 1HB GLU 19 3.641 3.939 0.881 128 2HB GLU 19 2HB GLU 19 2.953 5.035 -0.310 129 1HG GLU 19 1HG GLU 19 4.933 6.339 -0.380 130 2HG GLU 19 2HG GLU 19 5.606 5.504 1.019 131 HA PRO 20 HA PRO 20 -1.145 6.377 1.846 132 1HB PRO 20 1HB PRO 20 -1.978 7.058 -0.647 133 2HB PRO 20 2HB PRO 20 -1.351 8.237 0.512 134 1HG PRO 20 1HG PRO 20 0.043 6.908 -1.780 135 2HG PRO 20 2HG PRO 20 0.102 8.604 -1.266 136 1HD PRO 20 1HD PRO 20 2.060 6.832 -0.668 137 2HD PRO 20 2HD PRO 20 1.626 8.174 0.409 138 H TRP 21 H TRP 21 -2.369 4.607 1.905 139 HA TRP 21 HA TRP 21 -2.001 2.572 -0.186 140 1HB TRP 21 1HB TRP 21 -2.695 2.426 2.721 141 2HB TRP 21 2HB TRP 21 -3.255 1.150 1.643 142 HD1 TRP 21 HD1 TRP 21 0.201 2.924 1.804 143 HE1 TRP 21 HE1 TRP 21 2.009 1.104 2.004 144 HE3 TRP 21 HE3 TRP 21 -2.816 -1.198 2.012 145 HZ2 TRP 21 HZ2 TRP 21 2.140 -1.707 2.220 146 HZ3 TRP 21 HZ3 TRP 21 -1.770 -3.416 2.215 147 HH2 TRP 21 HH2 TRP 21 0.657 -3.663 2.316 148 H THR 22 H THR 22 -3.613 2.137 -1.543 149 HA THR 22 HA THR 22 -5.993 3.652 -1.564 150 HB THR 22 HB THR 22 -6.639 2.424 -3.485 151 HG1 THR 22 HG1 THR 22 -5.238 0.424 -3.919 152 1HG2 THR 22 1HG2 THR 22 -3.786 2.004 -3.983 153 2HG2 THR 22 2HG2 THR 22 -4.161 3.587 -3.302 154 3HG2 THR 22 3HG2 THR 22 -4.934 3.065 -4.799 155 H GLN 23 H GLN 23 -8.203 2.591 -1.726 156 HA GLN 23 HA GLN 23 -8.817 1.374 0.748 157 1HB GLN 23 1HB GLN 23 -11.108 1.102 -0.250 158 2HB GLN 23 2HB GLN 23 -10.475 2.743 -0.284 159 1HG GLN 23 1HG GLN 23 -9.875 2.479 -2.626 160 2HG GLN 23 2HG GLN 23 -10.470 0.820 -2.599 161 1HE2 GLN 23 1HE2 GLN 23 -12.233 0.795 -3.806 162 2HE2 GLN 23 2HE2 GLN 23 -13.565 1.887 -3.672 163 H ASN 24 H ASN 24 -8.713 0.098 -2.564 164 HA ASN 24 HA ASN 24 -9.528 -2.519 -1.933 165 1HB ASN 24 1HB ASN 24 -9.197 -1.276 -4.245 166 2HB ASN 24 2HB ASN 24 -7.609 -2.037 -4.173 167 1HD2 ASN 24 1HD2 ASN 24 -10.971 -2.954 -3.482 168 2HD2 ASN 24 2HD2 ASN 24 -10.912 -4.457 -4.333 169 H GLN 25 H GLN 25 -6.314 -1.048 -2.162 170 HA GLN 25 HA GLN 25 -4.810 -3.380 -1.762 171 1HB GLN 25 1HB GLN 25 -4.309 -0.461 -1.488 172 2HB GLN 25 2HB GLN 25 -3.167 -1.554 -0.717 173 1HG GLN 25 1HG GLN 25 -2.478 -0.876 -2.976 174 2HG GLN 25 2HG GLN 25 -2.687 -2.619 -2.814 175 1HE2 GLN 25 1HE2 GLN 25 -3.153 -0.169 -4.855 176 2HE2 GLN 25 2HE2 GLN 25 -4.529 -0.739 -5.731 177 H GLN 26 H GLN 26 -5.562 -0.829 0.620 178 HA GLN 26 HA GLN 26 -4.576 -2.030 2.878 179 1HB GLN 26 1HB GLN 26 -5.570 0.272 2.705 180 2HB GLN 26 2HB GLN 26 -7.162 -0.472 2.788 181 1HG GLN 26 1HG GLN 26 -6.423 0.417 4.947 182 2HG GLN 26 2HG GLN 26 -6.698 -1.324 4.992 183 1HE2 GLN 26 1HE2 GLN 26 -4.770 -2.694 4.736 184 2HE2 GLN 26 2HE2 GLN 26 -3.284 -2.153 5.431 185 H LYS 27 H LYS 27 -7.467 -2.819 1.113 186 HA LYS 27 HA LYS 27 -8.581 -4.471 3.195 187 1HB LYS 27 1HB LYS 27 -10.247 -3.601 1.838 188 2HB LYS 27 2HB LYS 27 -9.308 -3.821 0.367 189 1HG LYS 27 1HG LYS 27 -9.616 -6.311 0.707 190 2HG LYS 27 2HG LYS 27 -10.810 -5.892 1.938 191 1HD LYS 27 1HD LYS 27 -11.065 -4.577 -0.708 192 2HD LYS 27 2HD LYS 27 -11.461 -6.295 -0.617 193 1HE LYS 27 1HE LYS 27 -13.129 -5.906 1.031 194 2HE LYS 27 2HE LYS 27 -12.601 -4.241 1.265 195 1HZ LYS 27 1HZ LYS 27 -14.620 -5.026 -0.350 196 2HZ LYS 27 2HZ LYS 27 -13.346 -4.843 -1.447 197 3HZ LYS 27 3HZ LYS 27 -13.806 -3.547 -0.462 198 H LEU 28 H LEU 28 -7.310 -5.159 -0.070 199 HA LEU 28 HA LEU 28 -7.311 -7.883 -0.038 200 1HB LEU 28 1HB LEU 28 -5.193 -6.045 -1.137 201 2HB LEU 28 2HB LEU 28 -5.292 -7.767 -1.501 202 HG LEU 28 HG LEU 28 -7.473 -5.791 -2.155 203 1HD1 LEU 28 1HD1 LEU 28 -6.290 -6.635 -4.515 204 2HD1 LEU 28 2HD1 LEU 28 -4.932 -6.265 -3.453 205 3HD1 LEU 28 3HD1 LEU 28 -6.157 -5.038 -3.779 206 1HD2 LEU 28 1HD2 LEU 28 -7.772 -7.824 -3.870 207 2HD2 LEU 28 2HD2 LEU 28 -8.556 -7.774 -2.291 208 3HD2 LEU 28 3HD2 LEU 28 -7.069 -8.698 -2.510 209 H LEU 29 H LEU 29 -5.020 -5.742 1.556 210 HA LEU 29 HA LEU 29 -3.149 -7.719 2.312 211 1HB LEU 29 1HB LEU 29 -2.458 -5.461 2.378 212 2HB LEU 29 2HB LEU 29 -3.816 -5.000 3.403 213 HG LEU 29 HG LEU 29 -2.754 -6.440 5.206 214 1HD1 LEU 29 1HD1 LEU 29 -0.870 -6.844 3.041 215 2HD1 LEU 29 2HD1 LEU 29 -1.053 -7.720 4.560 216 3HD1 LEU 29 3HD1 LEU 29 -0.088 -6.244 4.504 217 1HD2 LEU 29 1HD2 LEU 29 -0.740 -4.518 5.126 218 2HD2 LEU 29 2HD2 LEU 29 -2.308 -4.384 5.922 219 3HD2 LEU 29 3HD2 LEU 29 -2.100 -3.789 4.274 220 H GLU 30 H GLU 30 -5.562 -6.045 4.345 221 HA GLU 30 HA GLU 30 -5.359 -7.479 6.642 222 1HB GLU 30 1HB GLU 30 -7.910 -6.527 5.329 223 2HB GLU 30 2HB GLU 30 -7.780 -7.033 7.007 224 1HG GLU 30 1HG GLU 30 -6.485 -5.188 7.593 225 2HG GLU 30 2HG GLU 30 -6.064 -4.837 5.917 226 H LEU 31 H LEU 31 -7.672 -8.305 4.051 227 HA LEU 31 HA LEU 31 -8.657 -10.657 4.996 228 1HB LEU 31 1HB LEU 31 -8.036 -9.702 2.241 229 2HB LEU 31 2HB LEU 31 -8.581 -11.362 2.470 230 HG LEU 31 HG LEU 31 -10.395 -9.805 1.837 231 1HD1 LEU 31 1HD1 LEU 31 -10.348 -11.593 4.114 232 2HD1 LEU 31 2HD1 LEU 31 -11.557 -11.411 2.844 233 3HD1 LEU 31 3HD1 LEU 31 -11.604 -10.363 4.261 234 1HD2 LEU 31 1HD2 LEU 31 -9.551 -8.471 4.384 235 2HD2 LEU 31 2HD2 LEU 31 -11.204 -8.331 3.786 236 3HD2 LEU 31 3HD2 LEU 31 -9.858 -7.756 2.801 237 H ALA 32 H ALA 32 -5.604 -10.220 3.249 238 HA ALA 32 HA ALA 32 -4.880 -12.933 3.119 239 1HB ALA 32 1HB ALA 32 -2.484 -11.601 3.227 240 2HB ALA 32 2HB ALA 32 -3.438 -11.886 1.771 241 3HB ALA 32 3HB ALA 32 -3.593 -10.360 2.643 242 H LEU 33 H LEU 33 -3.829 -10.407 5.409 243 HA LEU 33 HA LEU 33 -2.156 -11.692 7.054 244 1HB LEU 33 1HB LEU 33 -4.308 -9.722 7.543 245 2HB LEU 33 2HB LEU 33 -3.629 -10.519 8.960 246 HG LEU 33 HG LEU 33 -2.634 -8.282 8.356 247 1HD1 LEU 33 1HD1 LEU 33 -1.530 -9.946 9.813 248 2HD1 LEU 33 2HD1 LEU 33 -0.388 -8.958 8.903 249 3HD1 LEU 33 3HD1 LEU 33 -0.722 -10.612 8.393 250 1HD2 LEU 33 1HD2 LEU 33 -1.174 -9.791 6.210 251 2HD2 LEU 33 2HD2 LEU 33 -1.206 -8.054 6.514 252 3HD2 LEU 33 3HD2 LEU 33 -2.634 -8.863 5.868 253 H GLN 34 H GLN 34 -5.656 -12.163 7.004 254 HA GLN 34 HA GLN 34 -5.844 -13.850 9.241 255 1HB GLN 34 1HB GLN 34 -7.572 -13.835 6.760 256 2HB GLN 34 2HB GLN 34 -7.998 -14.553 8.308 257 1HG GLN 34 1HG GLN 34 -7.527 -12.098 9.165 258 2HG GLN 34 2HG GLN 34 -7.915 -11.705 7.491 259 1HE2 GLN 34 1HE2 GLN 34 -9.466 -10.801 9.565 260 2HE2 GLN 34 2HE2 GLN 34 -11.006 -11.582 9.518 261 H GLN 35 H GLN 35 -5.496 -14.624 5.787 262 HA GLN 35 HA GLN 35 -5.395 -17.434 6.181 263 1HB GLN 35 1HB GLN 35 -4.761 -15.593 3.907 264 2HB GLN 35 2HB GLN 35 -4.275 -17.281 3.814 265 1HG GLN 35 1HG GLN 35 -6.644 -17.915 4.242 266 2HG GLN 35 2HG GLN 35 -7.066 -16.208 4.125 267 1HE2 GLN 35 1HE2 GLN 35 -5.583 -15.337 2.054 268 2HE2 GLN 35 2HE2 GLN 35 -6.032 -16.153 0.598 269 H TYR 36 H TYR 36 -2.931 -14.923 5.871 270 HA TYR 36 HA TYR 36 -0.929 -16.894 6.757 271 1HB TYR 36 1HB TYR 36 -0.083 -14.544 5.124 272 2HB TYR 36 2HB TYR 36 0.642 -16.143 5.247 273 HD1 TYR 36 HD1 TYR 36 -2.230 -14.289 3.804 274 HD2 TYR 36 HD2 TYR 36 0.141 -17.819 3.671 275 HE1 TYR 36 HE1 TYR 36 -3.332 -14.943 1.705 276 HE2 TYR 36 HE2 TYR 36 -0.954 -18.482 1.571 277 HH TYR 36 HH TYR 36 -3.012 -18.063 0.356 278 HA PRO 37 HA PRO 37 -0.925 -13.794 10.055 279 1HB PRO 37 1HB PRO 37 0.288 -15.417 11.862 280 2HB PRO 37 2HB PRO 37 -1.445 -15.487 11.518 281 1HG PRO 37 1HG PRO 37 0.763 -17.230 10.491 282 2HG PRO 37 2HG PRO 37 -0.851 -17.690 11.064 283 1HD PRO 37 1HD PRO 37 -0.239 -17.495 8.433 284 2HD PRO 37 2HD PRO 37 -1.857 -17.130 9.067 285 H ARG 38 H ARG 38 1.026 -13.404 11.732 286 HA ARG 38 HA ARG 38 2.995 -12.022 10.597 287 1HB ARG 38 1HB ARG 38 3.121 -13.781 13.032 288 2HB ARG 38 2HB ARG 38 4.507 -12.820 12.536 289 1HG ARG 38 1HG ARG 38 3.549 -11.360 13.982 290 2HG ARG 38 2HG ARG 38 2.698 -10.890 12.509 291 1HD ARG 38 1HD ARG 38 0.740 -11.952 13.147 292 2HD ARG 38 2HD ARG 38 1.572 -13.024 14.274 293 HE ARG 38 HE ARG 38 1.828 -10.351 15.134 294 1HH1 ARG 38 1HH1 ARG 38 -0.526 -12.902 14.866 295 2HH1 ARG 38 2HH1 ARG 38 -1.478 -12.342 16.201 296 1HH2 ARG 38 1HH2 ARG 38 0.583 -9.603 16.893 297 2HH2 ARG 38 2HH2 ARG 38 -0.846 -10.464 17.352 298 H GLY 39 H GLY 39 3.763 -15.343 11.652 299 1HA GLY 39 1HA GLY 39 5.146 -16.934 10.745 300 2HA GLY 39 2HA GLY 39 4.722 -16.256 9.180 301 H SER 40 H SER 40 7.019 -16.966 8.802 302 HA SER 40 HA SER 40 9.017 -15.138 9.891 303 1HB SER 40 1HB SER 40 10.656 -16.602 8.776 304 2HB SER 40 2HB SER 40 9.573 -17.528 9.815 305 HG SER 40 HG SER 40 8.356 -18.015 7.898 306 H SER 41 H SER 41 8.659 -16.471 6.616 307 HA SER 41 HA SER 41 8.708 -13.737 5.544 308 1HB SER 41 1HB SER 41 10.287 -14.537 3.759 309 2HB SER 41 2HB SER 41 10.993 -14.477 5.374 310 HG SER 41 HG SER 41 11.068 -16.502 3.827 311 H ASP 42 H ASP 42 8.355 -17.174 4.686 312 HA ASP 42 HA ASP 42 7.032 -16.893 2.277 313 1HB ASP 42 1HB ASP 42 6.798 -19.004 4.420 314 2HB ASP 42 2HB ASP 42 5.961 -19.130 2.875 315 H CYS 43 H CYS 43 5.702 -16.844 5.553 316 HA CYS 43 HA CYS 43 2.993 -16.856 4.949 317 1HB CYS 43 1HB CYS 43 4.626 -15.802 7.211 318 2HB CYS 43 2HB CYS 43 2.940 -15.312 7.113 319 HG CYS 43 HG CYS 43 3.348 -18.600 6.746 320 H TRP 44 H TRP 44 5.180 -14.072 5.276 321 HA TRP 44 HA TRP 44 3.208 -12.131 4.651 322 1HB TRP 44 1HB TRP 44 6.227 -12.042 4.602 323 2HB TRP 44 2HB TRP 44 5.218 -10.641 4.256 324 HD1 TRP 44 HD1 TRP 44 6.723 -12.554 7.089 325 HE1 TRP 44 HE1 TRP 44 5.970 -11.540 9.332 326 HE3 TRP 44 HE3 TRP 44 3.030 -9.461 5.381 327 HZ2 TRP 44 HZ2 TRP 44 4.062 -9.676 10.255 328 HZ3 TRP 44 HZ3 TRP 44 1.788 -8.096 7.009 329 HH2 TRP 44 HH2 TRP 44 2.295 -8.203 9.395 330 H ASP 45 H ASP 45 5.880 -13.488 2.720 331 HA ASP 45 HA ASP 45 5.641 -12.232 0.358 332 1HB ASP 45 1HB ASP 45 6.985 -14.403 1.084 333 2HB ASP 45 2HB ASP 45 5.695 -15.211 0.197 334 H LYS 46 H LYS 46 3.535 -14.891 1.412 335 HA LYS 46 HA LYS 46 1.936 -14.964 -0.907 336 1HB LYS 46 1HB LYS 46 1.571 -15.909 1.916 337 2HB LYS 46 2HB LYS 46 0.231 -15.993 0.781 338 1HG LYS 46 1HG LYS 46 1.196 -17.639 -0.457 339 2HG LYS 46 2HG LYS 46 2.839 -17.116 -0.077 340 1HD LYS 46 1HD LYS 46 2.742 -18.099 2.084 341 2HD LYS 46 2HD LYS 46 1.002 -18.372 1.954 342 1HE LYS 46 1HE LYS 46 2.776 -19.612 -0.085 343 2HE LYS 46 2HE LYS 46 2.762 -20.308 1.535 344 1HZ LYS 46 1HZ LYS 46 0.138 -20.009 1.013 345 2HZ LYS 46 2HZ LYS 46 1.008 -21.442 0.784 346 3HZ LYS 46 3HZ LYS 46 0.743 -20.397 -0.519 347 H ILE 47 H ILE 47 1.709 -13.110 2.079 348 HA ILE 47 HA ILE 47 -0.870 -12.069 1.728 349 HB ILE 47 HB ILE 47 1.505 -10.807 3.103 350 1HG1 ILE 47 1HG1 ILE 47 -0.812 -12.199 4.423 351 2HG1 ILE 47 2HG1 ILE 47 0.587 -13.106 3.860 352 1HG2 ILE 47 1HG2 ILE 47 -0.682 -9.451 2.386 353 2HG2 ILE 47 2HG2 ILE 47 -1.267 -10.148 3.896 354 3HG2 ILE 47 3HG2 ILE 47 0.182 -9.144 3.893 355 1HD1 ILE 47 1HD1 ILE 47 1.550 -10.918 5.359 356 2HD1 ILE 47 2HD1 ILE 47 0.249 -11.671 6.282 357 3HD1 ILE 47 3HD1 ILE 47 1.625 -12.636 5.748 358 H ALA 48 H ALA 48 2.266 -10.977 0.540 359 HA ALA 48 HA ALA 48 1.429 -8.490 -0.487 360 1HB ALA 48 1HB ALA 48 3.573 -8.267 -1.058 361 2HB ALA 48 2HB ALA 48 3.826 -9.829 -0.278 362 3HB ALA 48 3HB ALA 48 3.558 -9.747 -2.019 363 H ARG 49 H ARG 49 1.454 -11.736 -1.858 364 HA ARG 49 HA ARG 49 1.038 -11.278 -4.516 365 1HB ARG 49 1HB ARG 49 -0.222 -13.348 -2.718 366 2HB ARG 49 2HB ARG 49 -0.407 -13.362 -4.467 367 1HG ARG 49 1HG ARG 49 2.017 -13.555 -4.723 368 2HG ARG 49 2HG ARG 49 2.197 -13.549 -2.967 369 1HD ARG 49 1HD ARG 49 1.179 -15.639 -2.738 370 2HD ARG 49 2HD ARG 49 0.447 -15.558 -4.340 371 HE ARG 49 HE ARG 49 3.336 -15.609 -4.316 372 1HH1 ARG 49 1HH1 ARG 49 0.397 -17.468 -4.465 373 2HH1 ARG 49 2HH1 ARG 49 1.148 -18.841 -5.208 374 1HH2 ARG 49 1HH2 ARG 49 4.338 -17.410 -5.295 375 2HH2 ARG 49 2HH2 ARG 49 3.390 -18.807 -5.679 376 H CYS 50 H CYS 50 -1.519 -11.447 -2.038 377 HA CYS 50 HA CYS 50 -3.666 -10.836 -3.715 378 1HB CYS 50 1HB CYS 50 -3.536 -11.584 -1.176 379 2HB CYS 50 2HB CYS 50 -3.678 -9.852 -0.896 380 HG CYS 50 HG CYS 50 -6.149 -11.493 -0.785 381 H VAL 51 H VAL 51 -1.157 -8.841 -2.498 382 HA VAL 51 HA VAL 51 -2.641 -6.408 -3.233 383 HB VAL 51 HB VAL 51 -0.016 -6.411 -1.773 384 1HG1 VAL 51 1HG1 VAL 51 -0.482 -4.224 -1.265 385 2HG1 VAL 51 2HG1 VAL 51 -1.267 -4.360 -2.839 386 3HG1 VAL 51 3HG1 VAL 51 -2.227 -4.458 -1.362 387 1HG2 VAL 51 1HG2 VAL 51 -1.683 -7.890 -0.606 388 2HG2 VAL 51 2HG2 VAL 51 -1.111 -6.512 0.334 389 3HG2 VAL 51 3HG2 VAL 51 -2.705 -6.465 -0.419 390 HA PRO 52 HA PRO 52 0.175 -6.935 -6.805 391 1HB PRO 52 1HB PRO 52 -1.480 -5.680 -8.554 392 2HB PRO 52 2HB PRO 52 -1.642 -7.390 -8.136 393 1HG PRO 52 1HG PRO 52 -3.162 -5.032 -7.091 394 2HG PRO 52 2HG PRO 52 -3.765 -6.630 -7.567 395 1HD PRO 52 1HD PRO 52 -3.357 -5.938 -4.981 396 2HD PRO 52 2HD PRO 52 -3.142 -7.599 -5.570 397 H SER 53 H SER 53 -0.677 -4.451 -4.840 398 HA SER 53 HA SER 53 0.651 -2.413 -6.497 399 1HB SER 53 1HB SER 53 -1.444 -1.541 -5.897 400 2HB SER 53 2HB SER 53 -1.363 -2.217 -4.270 401 HG SER 53 HG SER 53 0.662 -0.456 -4.863 402 H LYS 54 H LYS 54 0.433 -3.577 -3.140 403 HA LYS 54 HA LYS 54 3.069 -2.410 -2.602 404 1HB LYS 54 1HB LYS 54 1.298 -3.696 -0.542 405 2HB LYS 54 2HB LYS 54 2.549 -2.481 -0.312 406 1HG LYS 54 1HG LYS 54 0.099 -1.851 -1.905 407 2HG LYS 54 2HG LYS 54 0.072 -1.789 -0.141 408 1HD LYS 54 1HD LYS 54 1.761 -0.117 -0.092 409 2HD LYS 54 2HD LYS 54 2.111 -0.328 -1.810 410 1HE LYS 54 1HE LYS 54 -0.190 0.464 -2.314 411 2HE LYS 54 2HE LYS 54 -0.414 0.791 -0.597 412 1HZ LYS 54 1HZ LYS 54 1.907 2.065 -1.179 413 2HZ LYS 54 2HZ LYS 54 0.387 2.799 -1.074 414 3HZ LYS 54 3HZ LYS 54 0.991 2.319 -2.579 415 H SER 55 H SER 55 4.833 -3.629 -2.304 416 HA SER 55 HA SER 55 4.716 -6.430 -2.882 417 1HB SER 55 1HB SER 55 6.877 -4.444 -2.338 418 2HB SER 55 2HB SER 55 7.257 -6.155 -2.145 419 HG SER 55 HG SER 55 7.260 -4.833 -4.369 420 H LYS 56 H LYS 56 6.008 -7.983 -1.452 421 HA LYS 56 HA LYS 56 4.679 -8.460 0.904 422 1HB LYS 56 1HB LYS 56 6.027 -10.165 -0.158 423 2HB LYS 56 2HB LYS 56 7.496 -9.244 0.139 424 1HG LYS 56 1HG LYS 56 5.787 -10.113 2.429 425 2HG LYS 56 2HG LYS 56 6.904 -11.248 1.666 426 1HD LYS 56 1HD LYS 56 8.570 -9.194 1.975 427 2HD LYS 56 2HD LYS 56 7.458 -8.831 3.297 428 1HE LYS 56 1HE LYS 56 7.855 -10.952 4.311 429 2HE LYS 56 2HE LYS 56 8.746 -11.525 2.901 430 1HZ LYS 56 1HZ LYS 56 10.445 -9.854 3.360 431 2HZ LYS 56 2HZ LYS 56 10.252 -10.908 4.668 432 3HZ LYS 56 3HZ LYS 56 9.598 -9.350 4.735 433 H GLU 57 H GLU 57 7.959 -7.076 0.643 434 HA GLU 57 HA GLU 57 8.440 -6.530 3.284 435 1HB GLU 57 1HB GLU 57 9.234 -5.086 0.774 436 2HB GLU 57 2HB GLU 57 9.725 -4.477 2.348 437 1HG GLU 57 1HG GLU 57 10.981 -6.421 2.816 438 2HG GLU 57 2HG GLU 57 10.280 -7.287 1.450 439 H ASP 58 H ASP 58 6.619 -4.553 0.981 440 HA ASP 58 HA ASP 58 6.155 -2.371 2.706 441 1HB ASP 58 1HB ASP 58 4.579 -3.370 0.327 442 2HB ASP 58 2HB ASP 58 4.284 -1.833 1.134 443 H CYS 59 H CYS 59 4.296 -5.310 2.044 444 HA CYS 59 HA CYS 59 1.977 -4.755 3.430 445 1HB CYS 59 1HB CYS 59 3.478 -7.329 2.999 446 2HB CYS 59 2HB CYS 59 1.956 -7.292 3.880 447 HG CYS 59 HG CYS 59 1.036 -8.063 1.512 448 H ILE 60 H ILE 60 5.036 -6.023 4.687 449 HA ILE 60 HA ILE 60 4.131 -6.346 7.356 450 HB ILE 60 HB ILE 60 6.924 -6.043 6.254 451 1HG1 ILE 60 1HG1 ILE 60 5.802 -8.568 7.387 452 2HG1 ILE 60 2HG1 ILE 60 5.303 -8.082 5.771 453 1HG2 ILE 60 1HG2 ILE 60 6.107 -6.952 9.009 454 2HG2 ILE 60 2HG2 ILE 60 7.749 -6.803 8.385 455 3HG2 ILE 60 3HG2 ILE 60 6.764 -5.361 8.629 456 1HD1 ILE 60 1HD1 ILE 60 7.928 -9.027 6.745 457 2HD1 ILE 60 2HD1 ILE 60 7.093 -9.349 5.225 458 3HD1 ILE 60 3HD1 ILE 60 7.923 -7.812 5.467 459 H ALA 61 H ALA 61 5.952 -3.772 5.722 460 HA ALA 61 HA ALA 61 6.446 -2.127 7.899 461 1HB ALA 61 1HB ALA 61 6.458 -0.261 6.208 462 2HB ALA 61 2HB ALA 61 7.499 -1.635 5.833 463 3HB ALA 61 3HB ALA 61 5.951 -1.450 5.009 464 H ARG 62 H ARG 62 3.519 -2.535 6.008 465 HA ARG 62 HA ARG 62 2.179 -0.285 7.207 466 1HB ARG 62 1HB ARG 62 1.736 -1.235 4.881 467 2HB ARG 62 2HB ARG 62 0.884 -2.544 5.689 468 1HG ARG 62 1HG ARG 62 -0.797 -1.053 5.102 469 2HG ARG 62 2HG ARG 62 -0.499 -0.702 6.805 470 1HD ARG 62 1HD ARG 62 0.788 1.232 6.256 471 2HD ARG 62 2HD ARG 62 0.782 0.817 4.543 472 HE ARG 62 HE ARG 62 -1.867 1.089 5.325 473 1HH1 ARG 62 1HH1 ARG 62 0.983 3.074 5.091 474 2HH1 ARG 62 2HH1 ARG 62 0.100 4.536 4.802 475 1HH2 ARG 62 1HH2 ARG 62 -3.041 3.007 4.945 476 2HH2 ARG 62 2HH2 ARG 62 -2.189 4.497 4.720 477 H TYR 63 H TYR 63 2.058 -3.812 7.532 478 HA TYR 63 HA TYR 63 -0.059 -4.125 9.243 479 1HB TYR 63 1HB TYR 63 1.212 -6.009 8.341 480 2HB TYR 63 2HB TYR 63 2.594 -5.578 9.343 481 HD1 TYR 63 HD1 TYR 63 -0.850 -6.901 9.393 482 HD2 TYR 63 HD2 TYR 63 2.691 -6.200 11.646 483 HE1 TYR 63 HE1 TYR 63 -1.722 -8.327 11.197 484 HE2 TYR 63 HE2 TYR 63 1.829 -7.626 13.455 485 HH TYR 63 HH TYR 63 0.176 -9.516 13.681 486 H LYS 64 H LYS 64 3.221 -3.091 10.030 487 HA LYS 64 HA LYS 64 3.233 -3.198 12.763 488 1HB LYS 64 1HB LYS 64 4.395 -1.211 10.837 489 2HB LYS 64 2HB LYS 64 4.588 -0.983 12.571 490 1HG LYS 64 1HG LYS 64 5.984 -2.778 12.794 491 2HG LYS 64 2HG LYS 64 5.304 -3.621 11.400 492 1HD LYS 64 1HD LYS 64 6.334 -1.743 9.997 493 2HD LYS 64 2HD LYS 64 7.260 -1.341 11.445 494 1HE LYS 64 1HE LYS 64 7.865 -3.871 11.432 495 2HE LYS 64 2HE LYS 64 7.370 -3.798 9.742 496 1HZ LYS 64 1HZ LYS 64 9.033 -1.627 10.168 497 2HZ LYS 64 2HZ LYS 64 9.377 -3.023 9.279 498 3HZ LYS 64 3HZ LYS 64 9.792 -2.941 10.917 499 H LEU 65 H LEU 65 1.609 -0.843 10.714 500 HA LEU 65 HA LEU 65 0.780 0.803 12.924 501 1HB LEU 65 1HB LEU 65 -0.132 0.760 10.051 502 2HB LEU 65 2HB LEU 65 -0.553 1.995 11.237 503 HG LEU 65 HG LEU 65 2.127 2.156 11.350 504 1HD1 LEU 65 1HD1 LEU 65 2.492 0.452 9.659 505 2HD1 LEU 65 2HD1 LEU 65 3.022 2.028 9.073 506 3HD1 LEU 65 3HD1 LEU 65 1.494 1.349 8.515 507 1HD2 LEU 65 1HD2 LEU 65 1.929 4.082 9.847 508 2HD2 LEU 65 2HD2 LEU 65 0.594 4.011 10.998 509 3HD2 LEU 65 3HD2 LEU 65 0.345 3.508 9.326 510 H LEU 66 H LEU 66 -0.699 -1.650 10.856 511 HA LEU 66 HA LEU 66 -3.341 -1.436 11.653 512 1HB LEU 66 1HB LEU 66 -1.635 -3.631 10.622 513 2HB LEU 66 2HB LEU 66 -3.186 -4.077 11.329 514 HG LEU 66 HG LEU 66 -3.132 -1.953 9.241 515 1HD1 LEU 66 1HD1 LEU 66 -1.733 -3.636 8.244 516 2HD1 LEU 66 2HD1 LEU 66 -3.329 -3.697 7.497 517 3HD1 LEU 66 3HD1 LEU 66 -2.871 -4.905 8.696 518 1HD2 LEU 66 1HD2 LEU 66 -5.333 -2.474 8.976 519 2HD2 LEU 66 2HD2 LEU 66 -5.132 -2.959 10.660 520 3HD2 LEU 66 3HD2 LEU 66 -5.097 -4.174 9.381 521 H VAL 67 H VAL 67 -0.634 -2.973 13.280 522 HA VAL 67 HA VAL 67 -2.361 -3.977 15.404 523 HB VAL 67 HB VAL 67 -0.232 -4.882 16.361 524 1HG1 VAL 67 1HG1 VAL 67 -1.464 -6.434 15.140 525 2HG1 VAL 67 2HG1 VAL 67 -1.162 -5.614 13.607 526 3HG1 VAL 67 3HG1 VAL 67 0.134 -6.511 14.399 527 1HG2 VAL 67 1HG2 VAL 67 1.793 -4.827 15.094 528 2HG2 VAL 67 2HG2 VAL 67 0.996 -4.011 13.749 529 3HG2 VAL 67 3HG2 VAL 67 1.232 -3.166 15.279 530 H SER 68 H SER 68 0.129 -1.547 14.861 531 HA SER 68 HA SER 68 0.805 -0.719 17.350 532 1HB SER 68 1HB SER 68 1.631 0.341 15.283 533 2HB SER 68 2HB SER 68 0.063 1.116 15.058 534 HG SER 68 HG SER 68 0.452 2.436 16.725 535 H GLY 69 H GLY 69 -2.223 0.005 15.671 536 1HA GLY 69 1HA GLY 69 -3.222 1.302 18.120 537 2HA GLY 69 2HA GLY 69 -3.897 1.519 16.512 538 HA PRO 70 HA PRO 70 -5.324 -2.758 18.370 539 1HB PRO 70 1HB PRO 70 -5.499 -2.734 21.079 540 2HB PRO 70 2HB PRO 70 -4.058 -3.283 20.214 541 1HG PRO 70 1HG PRO 70 -4.601 -0.636 21.502 542 2HG PRO 70 2HG PRO 70 -3.125 -1.618 21.541 543 1HD PRO 70 1HD PRO 70 -3.408 0.523 19.907 544 2HD PRO 70 2HD PRO 70 -2.440 -0.897 19.461 545 H SER 71 H SER 71 -7.482 -3.135 18.537 546 HA SER 71 HA SER 71 -9.180 -1.150 19.855 547 1HB SER 71 1HB SER 71 -9.173 -1.810 16.945 548 2HB SER 71 2HB SER 71 -10.727 -1.516 17.724 549 HG SER 71 HG SER 71 -8.844 0.334 18.404 550 H SER 72 H SER 72 -11.430 -1.917 20.114 551 HA SER 72 HA SER 72 -11.553 -4.858 20.264 552 1HB SER 72 1HB SER 72 -12.398 -2.771 22.256 553 2HB SER 72 2HB SER 72 -13.153 -4.365 22.251 554 HG SER 72 HG SER 72 -11.418 -4.456 23.631 555 H GLY 73 H GLY 73 -13.830 -5.697 20.374 556 1HA GLY 73 1HA GLY 73 -15.803 -5.996 19.228 557 2HA GLY 73 2HA GLY 73 -16.113 -4.332 19.699
Contact the webmaster for help, if required. Tuesday, May 14, 2024 12:15:16 AM GMT (wattos1)