NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637688 | 5zuh | 36185 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 12 H THR 12 1.806 0.001 0.856 2 HA THR 12 HA THR 12 2.478 0.998 -1.396 3 HB THR 12 HB THR 12 3.213 -1.673 -1.984 4 HG1 THR 12 HG1 THR 12 3.953 -2.351 0.076 5 HG21 THR 12 1HG2 THR 12 4.767 0.369 -0.397 6 HG22 THR 12 2HG2 THR 12 4.569 0.432 -2.148 7 HG23 THR 12 3HG2 THR 12 5.412 -0.926 -1.404 8 H ASP 13 H ASP 13 1.912 1.167 -3.481 9 HA ASP 13 HA ASP 13 0.014 -0.805 -4.569 10 HB2 ASP 13 2HB ASP 13 -1.243 0.916 -5.639 11 HB3 ASP 13 3HB ASP 13 -1.039 1.412 -3.961 12 H HIS 14 H HIS 14 0.571 -1.681 -6.459 13 HA HIS 14 HA HIS 14 2.590 -0.310 -8.104 14 HB2 HIS 14 2HB HIS 14 3.656 -2.462 -8.580 15 HB3 HIS 14 3HB HIS 14 3.675 -2.125 -6.851 16 HD1 HIS 14 HD1 HIS 14 2.581 -4.602 -9.320 17 HD2 HIS 14 HD2 HIS 14 1.755 -3.688 -5.352 18 HE1 HIS 14 HE1 HIS 14 1.424 -6.632 -8.389 19 H GLN 15 H GLN 15 2.207 -0.275 -10.252 20 HA GLN 15 HA GLN 15 -0.005 -1.923 -11.278 21 HB2 GLN 15 2HB GLN 15 -0.723 -0.029 -12.671 22 HB3 GLN 15 3HB GLN 15 -0.824 0.349 -10.956 23 HG2 GLN 15 2HG GLN 15 1.743 1.122 -11.909 24 HG3 GLN 15 3HG GLN 15 0.512 1.771 -12.991 25 HE21 GLN 15 1HE2 GLN 15 2.345 2.852 -10.772 26 HE22 GLN 15 2HE2 GLN 15 1.285 3.840 -9.832 27 H THR 16 H THR 16 0.359 -2.936 -13.165 28 HA THR 16 HA THR 16 2.521 -2.047 -14.908 29 HB THR 16 HB THR 16 2.546 -4.961 -14.400 30 HG1 THR 16 HG1 THR 16 2.528 -4.384 -12.273 31 HG21 THR 16 1HG2 THR 16 4.295 -4.537 -15.750 32 HG22 THR 16 2HG2 THR 16 5.111 -4.029 -14.271 33 HG23 THR 16 3HG2 THR 16 4.342 -2.830 -15.311 34 H VAL 17 H VAL 17 2.027 -2.305 -17.001 35 HA VAL 17 HA VAL 17 -0.332 -3.943 -17.654 36 HB VAL 17 HB VAL 17 0.792 -1.659 -19.276 37 HG11 VAL 17 1HG1 VAL 17 -0.456 -3.067 -20.688 38 HG12 VAL 17 2HG1 VAL 17 -1.701 -3.326 -19.465 39 HG13 VAL 17 3HG1 VAL 17 -1.552 -1.756 -20.254 40 HG21 VAL 17 1HG2 VAL 17 -0.023 -0.365 -17.633 41 HG22 VAL 17 2HG2 VAL 17 -1.597 -0.774 -18.313 42 HG23 VAL 17 3HG2 VAL 17 -0.971 -1.677 -16.934 43 H TYR 18 H TYR 18 -0.312 -5.245 -19.510 44 HA TYR 18 HA TYR 18 2.388 -5.919 -20.472 45 HB2 TYR 18 2HB TYR 18 -0.040 -7.713 -20.536 46 HB3 TYR 18 3HB TYR 18 1.638 -8.167 -20.811 47 HD1 TYR 18 HD1 TYR 18 3.132 -8.571 -18.972 48 HD2 TYR 18 HD2 TYR 18 -0.841 -7.226 -18.262 49 HE1 TYR 18 HE1 TYR 18 3.376 -9.129 -16.589 50 HE2 TYR 18 HE2 TYR 18 -0.608 -7.779 -15.877 51 HH TYR 18 HH TYR 18 2.461 -8.912 -14.544 52 H VAL 19 H VAL 19 2.844 -5.524 -22.529 53 HA VAL 19 HA VAL 19 0.639 -5.390 -24.474 54 HB VAL 19 HB VAL 19 3.002 -3.512 -24.473 55 HG11 VAL 19 1HG1 VAL 19 0.946 -2.422 -25.961 56 HG12 VAL 19 2HG1 VAL 19 2.382 -3.227 -26.597 57 HG13 VAL 19 3HG1 VAL 19 0.889 -4.138 -26.365 58 HG21 VAL 19 1HG2 VAL 19 0.950 -1.879 -24.006 59 HG22 VAL 19 2HG2 VAL 19 0.336 -3.317 -23.192 60 HG23 VAL 19 3HG2 VAL 19 1.881 -2.621 -22.705 61 H LYS 20 H LYS 20 1.114 -6.066 -26.564 62 HA LYS 20 HA LYS 20 2.868 -8.169 -26.897 63 HB2 LYS 20 2HB LYS 20 2.626 -7.649 -29.395 64 HB3 LYS 20 3HB LYS 20 1.154 -7.977 -28.489 65 HG2 LYS 20 2HG LYS 20 0.411 -5.823 -28.642 66 HG3 LYS 20 3HG LYS 20 2.040 -5.153 -28.765 67 HD2 LYS 20 2HD LYS 20 0.851 -6.843 -30.947 68 HD3 LYS 20 3HD LYS 20 0.573 -5.102 -30.863 69 HE2 LYS 20 2HE LYS 20 3.295 -6.397 -30.923 70 HE3 LYS 20 3HE LYS 20 2.466 -5.756 -32.340 71 HZ1 LYS 20 1HZ LYS 20 3.515 -4.277 -30.005 72 HZ2 LYS 20 2HZ LYS 20 2.365 -3.594 -31.040 73 HZ3 LYS 20 3HZ LYS 20 3.877 -4.053 -31.642 74 HA PRO 21 HA PRO 21 6.895 -6.533 -27.507 75 HB2 PRO 21 2HB PRO 21 7.895 -8.217 -29.388 76 HB3 PRO 21 3HB PRO 21 7.627 -8.702 -27.709 77 HG2 PRO 21 2HG PRO 21 5.919 -9.192 -30.118 78 HG3 PRO 21 3HG PRO 21 6.345 -10.303 -28.804 79 HD2 PRO 21 2HD PRO 21 3.961 -9.024 -28.916 80 HD3 PRO 21 3HD PRO 21 4.757 -9.428 -27.381 81 H VAL 22 H VAL 22 8.437 -5.744 -29.213 82 HA VAL 22 HA VAL 22 6.923 -4.455 -31.384 83 HB VAL 22 HB VAL 22 8.895 -2.845 -31.420 84 HG11 VAL 22 1HG1 VAL 22 7.870 -2.264 -28.822 85 HG12 VAL 22 2HG1 VAL 22 7.456 -1.522 -30.369 86 HG13 VAL 22 3HG1 VAL 22 6.578 -2.947 -29.809 87 HG21 VAL 22 1HG2 VAL 22 10.530 -2.908 -29.861 88 HG22 VAL 22 2HG2 VAL 22 9.457 -3.518 -28.602 89 HG23 VAL 22 3HG2 VAL 22 10.114 -4.621 -29.810 90 HA PRO 23 HA PRO 23 9.274 -6.505 -34.474 91 HB2 PRO 23 2HB PRO 23 9.451 -4.578 -36.378 92 HB3 PRO 23 3HB PRO 23 7.950 -5.442 -36.022 93 HG2 PRO 23 2HG PRO 23 8.838 -2.731 -35.112 94 HG3 PRO 23 3HG PRO 23 7.245 -3.250 -35.693 95 HD2 PRO 23 2HD PRO 23 7.809 -2.948 -33.062 96 HD3 PRO 23 3HD PRO 23 6.661 -4.164 -33.659 97 HA PRO 24 HA PRO 24 13.562 -5.553 -34.270 98 HB2 PRO 24 2HB PRO 24 14.440 -6.200 -36.756 99 HB3 PRO 24 3HB PRO 24 13.949 -7.410 -35.565 100 HG2 PRO 24 2HG PRO 24 12.406 -6.285 -37.871 101 HG3 PRO 24 3HG PRO 24 12.527 -7.966 -37.320 102 HD2 PRO 24 2HD PRO 24 10.401 -6.393 -36.740 103 HD3 PRO 24 3HD PRO 24 10.981 -7.659 -35.639 104 H THR 25 H THR 25 11.611 -3.969 -36.645 105 HA THR 25 HA THR 25 13.673 -2.140 -37.505 106 HB THR 25 HB THR 25 11.351 -0.981 -38.340 107 HG1 THR 25 HG1 THR 25 10.875 -3.784 -38.453 108 HG21 THR 25 1HG2 THR 25 13.272 -2.916 -39.488 109 HG22 THR 25 2HG2 THR 25 12.808 -1.309 -40.049 110 HG23 THR 25 3HG2 THR 25 11.762 -2.692 -40.371 111 H ALA 26 H ALA 26 10.965 -2.134 -35.264 112 HA ALA 26 HA ALA 26 10.963 0.642 -34.717 113 HB1 ALA 26 1HB ALA 26 9.645 0.047 -32.733 114 HB2 ALA 26 2HB ALA 26 9.053 -0.760 -34.186 115 HB3 ALA 26 3HB ALA 26 10.014 -1.656 -33.010 116 H THR 27 H THR 27 12.758 1.640 -34.039 117 HA THR 27 HA THR 27 14.615 0.334 -32.239 118 HB THR 27 HB THR 27 16.034 2.260 -32.525 119 HG1 THR 27 HG1 THR 27 15.293 4.100 -33.631 120 HG21 THR 27 1HG2 THR 27 15.088 2.178 -35.294 121 HG22 THR 27 2HG2 THR 27 15.290 0.585 -34.564 122 HG23 THR 27 3HG2 THR 27 16.647 1.711 -34.615 123 H LEU 28 H LEU 28 15.493 1.722 -30.384 124 HA LEU 28 HA LEU 28 13.442 2.110 -28.501 125 HB2 LEU 28 2HB LEU 28 16.025 1.665 -28.254 126 HB3 LEU 28 3HB LEU 28 16.093 3.424 -28.156 127 HG LEU 28 HG LEU 28 14.210 1.971 -26.361 128 HD11 LEU 28 1HD1 LEU 28 16.285 2.038 -24.738 129 HD12 LEU 28 2HD1 LEU 28 17.177 1.840 -26.246 130 HD13 LEU 28 3HD1 LEU 28 15.971 0.644 -25.772 131 HD21 LEU 28 1HD2 LEU 28 15.847 4.491 -26.246 132 HD22 LEU 28 2HD2 LEU 28 15.030 3.822 -24.833 133 HD23 LEU 28 3HD2 LEU 28 14.091 4.322 -26.241 134 H GLU 29 H GLU 29 15.361 4.412 -30.392 135 HA GLU 29 HA GLU 29 14.305 6.754 -29.237 136 HB2 GLU 29 2HB GLU 29 16.372 6.672 -30.607 137 HB3 GLU 29 3HB GLU 29 15.387 6.385 -32.035 138 HG2 GLU 29 2HG GLU 29 15.306 8.575 -32.320 139 HG3 GLU 29 3HG GLU 29 14.300 8.664 -30.876 140 H GLN 30 H GLN 30 13.319 4.847 -32.049 141 HA GLN 30 HA GLN 30 11.270 6.600 -32.906 142 HB2 GLN 30 2HB GLN 30 12.385 4.140 -33.758 143 HB3 GLN 30 3HB GLN 30 10.654 3.884 -33.582 144 HG2 GLN 30 2HG GLN 30 10.907 4.557 -35.789 145 HG3 GLN 30 3HG GLN 30 10.380 6.018 -34.956 146 HE21 GLN 30 1HE2 GLN 30 12.172 5.235 -37.377 147 HE22 GLN 30 2HE2 GLN 30 13.524 6.296 -37.201 148 H LEU 31 H LEU 31 11.251 3.713 -30.848 149 HA LEU 31 HA LEU 31 8.489 3.534 -30.457 150 HB2 LEU 31 2HB LEU 31 10.877 2.392 -29.317 151 HB3 LEU 31 3HB LEU 31 9.687 2.730 -28.061 152 HG LEU 31 HG LEU 31 9.281 0.988 -30.492 153 HD11 LEU 31 1HD1 LEU 31 10.580 0.372 -28.174 154 HD12 LEU 31 2HD1 LEU 31 9.758 -0.787 -29.218 155 HD13 LEU 31 3HD1 LEU 31 8.926 -0.124 -27.812 156 HD21 LEU 31 1HD2 LEU 31 7.178 1.890 -30.124 157 HD22 LEU 31 2HD2 LEU 31 7.411 1.987 -28.379 158 HD23 LEU 31 3HD2 LEU 31 7.146 0.422 -29.147 159 H THR 32 H THR 32 10.956 5.177 -28.490 160 HA THR 32 HA THR 32 9.225 6.189 -26.534 161 HB THR 32 HB THR 32 11.709 7.624 -27.458 162 HG1 THR 32 HG1 THR 32 12.678 6.154 -25.774 163 HG21 THR 32 1HG2 THR 32 10.023 7.577 -25.018 164 HG22 THR 32 2HG2 THR 32 10.904 8.913 -25.761 165 HG23 THR 32 3HG2 THR 32 11.765 7.721 -24.789 166 H GLU 33 H GLU 33 10.480 7.739 -29.486 167 HA GLU 33 HA GLU 33 9.254 10.204 -29.234 168 HB2 GLU 33 2HB GLU 33 10.888 9.237 -31.050 169 HB3 GLU 33 3HB GLU 33 9.400 8.897 -31.921 170 HG2 GLU 33 2HG GLU 33 8.861 11.144 -32.138 171 HG3 GLU 33 3HG GLU 33 9.941 11.627 -30.831 172 H PHE 34 H PHE 34 8.005 7.406 -31.063 173 HA PHE 34 HA PHE 34 5.541 8.465 -31.751 174 HB2 PHE 34 2HB PHE 34 6.763 5.837 -31.680 175 HB3 PHE 34 3HB PHE 34 5.052 5.754 -31.275 176 HD1 PHE 34 HD1 PHE 34 3.618 7.447 -32.893 177 HD2 PHE 34 HD2 PHE 34 7.236 5.430 -33.876 178 HE1 PHE 34 HE1 PHE 34 3.045 7.590 -35.282 179 HE2 PHE 34 HE2 PHE 34 6.669 5.571 -36.266 180 HZ PHE 34 HZ PHE 34 4.572 6.653 -36.972 181 H PHE 35 H PHE 35 6.474 6.716 -28.817 182 HA PHE 35 HA PHE 35 3.978 6.470 -27.629 183 HB2 PHE 35 2HB PHE 35 6.769 6.401 -26.733 184 HB3 PHE 35 3HB PHE 35 5.641 6.915 -25.484 185 HD1 PHE 35 HD1 PHE 35 3.358 5.391 -25.593 186 HD2 PHE 35 HD2 PHE 35 7.292 4.180 -26.677 187 HE1 PHE 35 HE1 PHE 35 2.746 3.044 -25.180 188 HE2 PHE 35 HE2 PHE 35 6.686 1.832 -26.267 189 HZ PHE 35 HZ PHE 35 4.410 1.261 -25.517 190 H SER 36 H SER 36 6.371 9.062 -27.108 191 HA SER 36 HA SER 36 4.815 10.659 -25.442 192 HB2 SER 36 2HB SER 36 6.811 11.705 -27.458 193 HB3 SER 36 3HB SER 36 6.352 12.438 -25.921 194 HG SER 36 HG SER 36 7.721 11.186 -24.935 195 H LYS 37 H LYS 37 4.877 10.403 -28.940 196 HA LYS 37 HA LYS 37 3.433 12.705 -29.596 197 HB2 LYS 37 2HB LYS 37 4.521 10.579 -30.986 198 HB3 LYS 37 3HB LYS 37 2.795 10.391 -31.265 199 HG2 LYS 37 2HG LYS 37 3.523 13.138 -31.598 200 HG3 LYS 37 3HG LYS 37 4.581 12.115 -32.573 201 HD2 LYS 37 2HD LYS 37 1.684 11.494 -32.623 202 HD3 LYS 37 3HD LYS 37 2.201 12.975 -33.434 203 HE2 LYS 37 2HE LYS 37 3.874 10.641 -34.010 204 HE3 LYS 37 3HE LYS 37 2.202 10.478 -34.547 205 HZ1 LYS 37 1HZ LYS 37 4.300 12.061 -35.643 206 HZ2 LYS 37 2HZ LYS 37 2.944 13.009 -35.293 207 HZ3 LYS 37 3HZ LYS 37 2.796 11.665 -36.309 208 H HIS 38 H HIS 38 2.358 9.521 -28.553 209 HA HIS 38 HA HIS 38 -0.291 10.630 -28.035 210 HB2 HIS 38 2HB HIS 38 -0.449 9.600 -30.269 211 HB3 HIS 38 3HB HIS 38 0.130 8.076 -29.603 212 HD1 HIS 38 HD1 HIS 38 -2.492 10.291 -28.017 213 HD2 HIS 38 HD2 HIS 38 -2.158 6.597 -29.888 214 HE1 HIS 38 HE1 HIS 38 -4.733 9.187 -27.730 215 H GLY 39 H GLY 39 -0.550 10.304 -25.926 216 HA2 GLY 39 2HA GLY 39 -1.068 8.885 -24.104 217 HA3 GLY 39 3HA GLY 39 -0.142 7.604 -24.870 218 H THR 40 H THR 40 -0.085 8.852 -22.127 219 HA THR 40 HA THR 40 2.748 9.663 -22.095 220 HB THR 40 HB THR 40 0.675 10.194 -19.959 221 HG1 THR 40 HG1 THR 40 1.751 11.955 -21.929 222 HG21 THR 40 1HG2 THR 40 2.700 10.313 -18.854 223 HG22 THR 40 2HG2 THR 40 2.520 11.974 -19.418 224 HG23 THR 40 3HG2 THR 40 3.570 10.856 -20.288 225 H VAL 41 H VAL 41 4.084 8.114 -21.456 226 HA VAL 41 HA VAL 41 3.131 6.166 -19.457 227 HB VAL 41 HB VAL 41 4.712 4.549 -20.392 228 HG11 VAL 41 1HG1 VAL 41 2.419 5.630 -21.791 229 HG12 VAL 41 2HG1 VAL 41 3.550 4.841 -22.892 230 HG13 VAL 41 3HG1 VAL 41 2.887 3.952 -21.520 231 HG21 VAL 41 1HG2 VAL 41 5.950 4.973 -22.406 232 HG22 VAL 41 2HG2 VAL 41 5.231 6.576 -22.564 233 HG23 VAL 41 3HG2 VAL 41 6.339 6.233 -21.235 234 H GLN 42 H GLN 42 4.490 5.606 -17.769 235 HA GLN 42 HA GLN 42 6.383 7.609 -16.988 236 HB2 GLN 42 2HB GLN 42 4.791 6.210 -15.495 237 HB3 GLN 42 3HB GLN 42 6.035 4.972 -15.593 238 HG2 GLN 42 2HG GLN 42 7.040 7.624 -14.882 239 HG3 GLN 42 3HG GLN 42 5.913 6.933 -13.715 240 HE21 GLN 42 1HE2 GLN 42 9.081 6.933 -14.900 241 HE22 GLN 42 2HE2 GLN 42 9.692 5.616 -13.965 242 H ALA 43 H ALA 43 6.699 4.079 -17.420 243 HA ALA 43 HA ALA 43 9.234 4.414 -18.759 244 HB1 ALA 43 1HB ALA 43 10.269 4.486 -16.712 245 HB2 ALA 43 2HB ALA 43 9.062 3.455 -15.942 246 HB3 ALA 43 3HB ALA 43 10.267 2.749 -17.018 247 H VAL 44 H VAL 44 10.172 2.266 -19.383 248 HA VAL 44 HA VAL 44 8.215 0.093 -19.454 249 HB VAL 44 HB VAL 44 7.841 1.402 -21.511 250 HG11 VAL 44 1HG1 VAL 44 10.726 0.739 -22.086 251 HG12 VAL 44 2HG1 VAL 44 9.593 1.422 -23.253 252 HG13 VAL 44 3HG1 VAL 44 10.045 2.343 -21.818 253 HG21 VAL 44 1HG2 VAL 44 7.449 -1.008 -21.508 254 HG22 VAL 44 2HG2 VAL 44 8.020 -0.462 -23.085 255 HG23 VAL 44 3HG2 VAL 44 9.124 -1.288 -21.985 256 H TRP 45 H TRP 45 9.101 -1.952 -19.689 257 HA TRP 45 HA TRP 45 11.892 -2.318 -20.275 258 HB2 TRP 45 2HB TRP 45 11.271 -1.758 -17.628 259 HB3 TRP 45 3HB TRP 45 11.379 -3.516 -17.667 260 HD1 TRP 45 HD1 TRP 45 13.544 -0.529 -18.905 261 HE1 TRP 45 HE1 TRP 45 16.014 -1.138 -18.518 262 HE3 TRP 45 HE3 TRP 45 12.932 -5.242 -17.021 263 HZ2 TRP 45 HZ2 TRP 45 17.507 -3.327 -17.544 264 HZ3 TRP 45 HZ3 TRP 45 14.932 -6.527 -16.386 265 HH2 TRP 45 HH2 TRP 45 17.171 -5.587 -16.644 266 H ARG 46 H ARG 46 12.516 -4.662 -20.067 267 HA ARG 46 HA ARG 46 10.381 -6.589 -19.937 268 HB2 ARG 46 2HB ARG 46 10.742 -7.429 -22.254 269 HB3 ARG 46 3HB ARG 46 10.005 -5.834 -22.191 270 HG2 ARG 46 2HG ARG 46 12.959 -5.998 -22.432 271 HG3 ARG 46 3HG ARG 46 11.978 -6.391 -23.845 272 HD2 ARG 46 2HD ARG 46 11.021 -3.996 -22.555 273 HD3 ARG 46 3HD ARG 46 12.732 -3.853 -22.955 274 HE ARG 46 HE ARG 46 11.346 -4.888 -25.170 275 HH11 ARG 46 1HH1 ARG 46 11.692 -1.939 -23.352 276 HH12 ARG 46 2HH1 ARG 46 11.330 -0.913 -24.700 277 HH21 ARG 46 1HH2 ARG 46 10.867 -3.547 -26.952 278 HH22 ARG 46 2HH2 ARG 46 10.860 -1.828 -26.747 279 H ARG 47 H ARG 47 11.120 -8.637 -19.554 280 HA ARG 47 HA ARG 47 13.936 -9.253 -19.954 281 HB2 ARG 47 2HB ARG 47 14.270 -9.947 -17.629 282 HB3 ARG 47 3HB ARG 47 13.892 -8.232 -17.732 283 HG2 ARG 47 2HG ARG 47 11.425 -9.460 -17.413 284 HG3 ARG 47 3HG ARG 47 12.509 -10.349 -16.340 285 HD2 ARG 47 2HD ARG 47 12.907 -8.536 -15.013 286 HD3 ARG 47 3HD ARG 47 12.683 -7.387 -16.331 287 HE ARG 47 HE ARG 47 10.256 -8.713 -15.595 288 HH11 ARG 47 1HH1 ARG 47 12.406 -6.094 -14.793 289 HH12 ARG 47 2HH1 ARG 47 11.176 -5.148 -14.023 290 HH21 ARG 47 1HH2 ARG 47 8.629 -7.476 -14.584 291 HH22 ARG 47 2HH2 ARG 47 9.028 -5.935 -13.904 292 H TYR 48 H TYR 48 14.411 -11.557 -19.448 293 HA TYR 48 HA TYR 48 12.097 -13.323 -19.391 294 HB2 TYR 48 2HB TYR 48 13.034 -14.594 -21.383 295 HB3 TYR 48 3HB TYR 48 12.270 -13.050 -21.742 296 HD1 TYR 48 HD1 TYR 48 15.350 -14.960 -21.820 297 HD2 TYR 48 HD2 TYR 48 13.675 -11.077 -22.292 298 HE1 TYR 48 HE1 TYR 48 17.393 -14.226 -22.976 299 HE2 TYR 48 HE2 TYR 48 15.713 -10.333 -23.451 300 HH TYR 48 HH TYR 48 18.141 -12.529 -24.493 301 H PHE 49 H PHE 49 12.516 -14.862 -17.967 302 HA PHE 49 HA PHE 49 15.221 -15.371 -17.097 303 HB2 PHE 49 2HB PHE 49 12.550 -15.791 -16.053 304 HB3 PHE 49 3HB PHE 49 13.536 -17.239 -15.874 305 HD1 PHE 49 HD1 PHE 49 14.447 -17.433 -13.788 306 HD2 PHE 49 HD2 PHE 49 14.142 -13.568 -15.543 307 HE1 PHE 49 HE1 PHE 49 15.529 -16.452 -11.807 308 HE2 PHE 49 HE2 PHE 49 15.224 -12.581 -13.566 309 HZ PHE 49 HZ PHE 49 15.920 -14.023 -11.695 310 H ALA 50 H ALA 50 16.503 -16.749 -18.115 311 HA ALA 50 HA ALA 50 15.471 -18.729 -19.927 312 HB1 ALA 50 1HB ALA 50 17.502 -17.573 -20.506 313 HB2 ALA 50 2HB ALA 50 18.285 -18.131 -19.027 314 HB3 ALA 50 3HB ALA 50 17.855 -19.287 -20.287 315 H GLY 51 H GLY 51 16.613 -18.662 -16.640 316 HA2 GLY 51 2HA GLY 51 16.187 -20.311 -15.030 317 HA3 GLY 51 3HA GLY 51 15.800 -21.439 -16.321 318 H LYS 52 H LYS 52 17.991 -20.734 -13.961 319 HA LYS 52 HA LYS 52 20.004 -22.452 -15.226 320 HB2 LYS 52 2HB LYS 52 20.556 -19.906 -15.236 321 HB3 LYS 52 3HB LYS 52 20.865 -20.137 -13.521 322 HG2 LYS 52 2HG LYS 52 22.958 -20.499 -14.292 323 HG3 LYS 52 3HG LYS 52 22.337 -22.142 -14.461 324 HD2 LYS 52 2HD LYS 52 22.556 -22.082 -16.680 325 HD3 LYS 52 3HD LYS 52 21.728 -20.527 -16.786 326 HE2 LYS 52 2HE LYS 52 24.600 -20.791 -15.928 327 HE3 LYS 52 3HE LYS 52 24.124 -20.596 -17.615 328 HZ1 LYS 52 1HZ LYS 52 24.685 -18.548 -16.073 329 HZ2 LYS 52 2HZ LYS 52 23.045 -18.688 -15.685 330 HZ3 LYS 52 3HZ LYS 52 23.516 -18.451 -17.292 331 H LYS 53 H LYS 53 18.218 -23.520 -13.568 332 HA LYS 53 HA LYS 53 19.843 -24.251 -11.276 333 HB2 LYS 53 2HB LYS 53 17.977 -23.934 -9.679 334 HB3 LYS 53 3HB LYS 53 18.554 -22.417 -10.358 335 HG2 LYS 53 2HG LYS 53 16.358 -23.613 -11.864 336 HG3 LYS 53 3HG LYS 53 15.943 -23.195 -10.199 337 HD2 LYS 53 2HD LYS 53 16.584 -20.922 -10.531 338 HD3 LYS 53 3HD LYS 53 17.298 -21.291 -12.103 339 HE2 LYS 53 2HE LYS 53 15.195 -21.633 -13.095 340 HE3 LYS 53 3HE LYS 53 14.385 -21.753 -11.534 341 HZ1 LYS 53 1HZ LYS 53 14.365 -19.505 -11.266 342 HZ2 LYS 53 2HZ LYS 53 14.269 -19.574 -12.953 343 HZ3 LYS 53 3HZ LYS 53 15.750 -19.248 -12.203 344 H ASP 54 H ASP 54 18.542 -25.988 -9.953 345 HA ASP 54 HA ASP 54 17.591 -27.930 -11.926 346 HB2 ASP 54 2HB ASP 54 18.362 -28.371 -9.033 347 HB3 ASP 54 3HB ASP 54 18.034 -29.619 -10.232 348 H ALA 55 H ALA 55 15.939 -25.707 -10.887 349 HA ALA 55 HA ALA 55 13.815 -27.281 -9.583 350 HB1 ALA 55 1HB ALA 55 14.977 -24.960 -8.677 351 HB2 ALA 55 2HB ALA 55 13.496 -24.391 -9.449 352 HB3 ALA 55 3HB ALA 55 13.414 -25.602 -8.169 353 HA PRO 56 HA PRO 56 11.111 -26.626 -12.976 354 HB2 PRO 56 2HB PRO 56 8.729 -26.191 -11.749 355 HB3 PRO 56 3HB PRO 56 9.508 -27.776 -11.798 356 HG2 PRO 56 2HG PRO 56 9.481 -25.746 -9.598 357 HG3 PRO 56 3HG PRO 56 9.284 -27.506 -9.499 358 HD2 PRO 56 2HD PRO 56 11.622 -26.267 -8.925 359 HD3 PRO 56 3HD PRO 56 11.552 -27.893 -9.633 360 HA PRO 57 HA PRO 57 10.477 -22.378 -13.915 361 HB2 PRO 57 2HB PRO 57 8.189 -22.420 -15.375 362 HB3 PRO 57 3HB PRO 57 9.729 -23.036 -15.986 363 HG2 PRO 57 2HG PRO 57 7.417 -24.537 -14.818 364 HG3 PRO 57 3HG PRO 57 8.406 -24.932 -16.236 365 HD2 PRO 57 2HD PRO 57 8.781 -26.108 -13.826 366 HD3 PRO 57 3HD PRO 57 10.114 -25.806 -14.959 367 H GLU 58 H GLU 58 10.074 -21.292 -12.019 368 HA GLU 58 HA GLU 58 7.373 -21.331 -10.910 369 HB2 GLU 58 2HB GLU 58 9.234 -21.573 -9.345 370 HB3 GLU 58 3HB GLU 58 9.913 -20.046 -9.892 371 HG2 GLU 58 2HG GLU 58 8.693 -18.932 -8.428 372 HG3 GLU 58 3HG GLU 58 7.210 -19.627 -9.080 373 H SER 59 H SER 59 9.695 -19.109 -12.365 374 HA SER 59 HA SER 59 7.827 -16.890 -12.189 375 HB2 SER 59 2HB SER 59 9.783 -15.795 -13.582 376 HB3 SER 59 3HB SER 59 9.968 -16.080 -11.851 377 HG SER 59 HG SER 59 11.761 -16.950 -12.706 378 H ARG 60 H ARG 60 7.643 -15.518 -14.265 379 HA ARG 60 HA ARG 60 6.926 -17.330 -16.473 380 HB2 ARG 60 2HB ARG 60 5.785 -14.582 -15.967 381 HB3 ARG 60 3HB ARG 60 5.186 -15.805 -17.080 382 HG2 ARG 60 2HG ARG 60 5.197 -16.035 -14.077 383 HG3 ARG 60 3HG ARG 60 3.800 -15.620 -15.074 384 HD2 ARG 60 2HD ARG 60 4.830 -17.962 -16.189 385 HD3 ARG 60 3HD ARG 60 4.911 -18.208 -14.445 386 HE ARG 60 HE ARG 60 2.403 -17.219 -14.889 387 HH11 ARG 60 1HH1 ARG 60 4.235 -19.934 -16.068 388 HH12 ARG 60 2HH1 ARG 60 2.842 -20.934 -16.313 389 HH21 ARG 60 1HH2 ARG 60 0.561 -18.526 -15.208 390 HH22 ARG 60 2HH2 ARG 60 0.752 -20.132 -15.825 391 H THR 61 H THR 61 8.135 -17.190 -18.233 392 HA THR 61 HA THR 61 9.551 -14.661 -18.773 393 HB THR 61 HB THR 61 11.202 -16.304 -18.305 394 HG1 THR 61 HG1 THR 61 11.147 -16.485 -21.113 395 HG21 THR 61 1HG2 THR 61 9.299 -18.099 -19.534 396 HG22 THR 61 2HG2 THR 61 10.653 -18.462 -18.465 397 HG23 THR 61 3HG2 THR 61 10.913 -18.330 -20.204 398 H LYS 62 H LYS 62 8.445 -13.613 -20.305 399 HA LYS 62 HA LYS 62 7.832 -15.062 -22.783 400 HB2 LYS 62 2HB LYS 62 5.747 -13.546 -22.912 401 HB3 LYS 62 3HB LYS 62 5.687 -14.960 -21.868 402 HG2 LYS 62 2HG LYS 62 6.620 -12.487 -20.582 403 HG3 LYS 62 3HG LYS 62 4.937 -12.484 -21.116 404 HD2 LYS 62 2HD LYS 62 6.128 -14.705 -19.469 405 HD3 LYS 62 3HD LYS 62 5.357 -13.287 -18.752 406 HE2 LYS 62 2HE LYS 62 3.381 -14.269 -18.993 407 HE3 LYS 62 3HE LYS 62 3.609 -14.265 -20.741 408 HZ1 LYS 62 1HZ LYS 62 4.344 -16.410 -18.830 409 HZ2 LYS 62 2HZ LYS 62 4.864 -16.388 -20.439 410 HZ3 LYS 62 3HZ LYS 62 3.213 -16.488 -20.086 411 HA PRO 63 HA PRO 63 9.680 -11.675 -24.873 412 HB2 PRO 63 2HB PRO 63 8.192 -11.537 -27.139 413 HB3 PRO 63 3HB PRO 63 9.349 -12.836 -26.828 414 HG2 PRO 63 2HG PRO 63 6.375 -12.825 -26.483 415 HG3 PRO 63 3HG PRO 63 7.418 -14.086 -27.167 416 HD2 PRO 63 2HD PRO 63 6.461 -14.201 -24.637 417 HD3 PRO 63 3HD PRO 63 8.040 -14.874 -25.092 418 H SER 64 H SER 64 6.343 -11.552 -24.011 419 HA SER 64 HA SER 64 5.521 -9.097 -24.976 420 HB2 SER 64 2HB SER 64 4.708 -9.630 -22.196 421 HB3 SER 64 3HB SER 64 3.718 -9.391 -23.636 422 HG SER 64 HG SER 64 3.451 -11.466 -23.581 423 H VAL 65 H VAL 65 5.472 -6.992 -24.081 424 HA VAL 65 HA VAL 65 7.785 -6.415 -22.359 425 HB VAL 65 HB VAL 65 7.577 -4.078 -23.238 426 HG11 VAL 65 1HG1 VAL 65 9.153 -5.772 -24.158 427 HG12 VAL 65 2HG1 VAL 65 7.952 -6.152 -25.394 428 HG13 VAL 65 3HG1 VAL 65 8.667 -4.540 -25.322 429 HG21 VAL 65 1HG2 VAL 65 5.109 -4.638 -23.963 430 HG22 VAL 65 2HG2 VAL 65 6.077 -3.469 -24.861 431 HG23 VAL 65 3HG2 VAL 65 5.897 -5.115 -25.467 432 H PHE 66 H PHE 66 7.598 -4.977 -20.626 433 HA PHE 66 HA PHE 66 4.853 -4.663 -19.622 434 HB2 PHE 66 2HB PHE 66 7.396 -4.483 -18.005 435 HB3 PHE 66 3HB PHE 66 5.750 -4.665 -17.407 436 HD1 PHE 66 HD1 PHE 66 8.732 -6.344 -18.324 437 HD2 PHE 66 HD2 PHE 66 4.511 -6.825 -18.060 438 HE1 PHE 66 HE1 PHE 66 9.014 -8.788 -18.310 439 HE2 PHE 66 HE2 PHE 66 4.787 -9.269 -18.044 440 HZ PHE 66 HZ PHE 66 7.041 -10.254 -18.169 441 H VAL 67 H VAL 67 4.004 -2.697 -19.405 442 HA VAL 67 HA VAL 67 5.819 -0.374 -19.443 443 HB VAL 67 HB VAL 67 4.153 0.879 -20.716 444 HG11 VAL 67 1HG1 VAL 67 5.500 -1.513 -21.737 445 HG12 VAL 67 2HG1 VAL 67 4.195 -0.917 -22.764 446 HG13 VAL 67 3HG1 VAL 67 5.532 0.148 -22.327 447 HG21 VAL 67 1HG2 VAL 67 2.354 -0.661 -21.846 448 HG22 VAL 67 2HG2 VAL 67 2.586 -1.638 -20.396 449 HG23 VAL 67 3HG2 VAL 67 2.064 0.041 -20.254 450 H VAL 68 H VAL 68 5.379 1.277 -18.050 451 HA VAL 68 HA VAL 68 3.029 0.952 -16.299 452 HB VAL 68 HB VAL 68 5.777 1.912 -15.488 453 HG11 VAL 68 1HG1 VAL 68 3.131 2.068 -14.207 454 HG12 VAL 68 2HG1 VAL 68 4.446 1.500 -13.176 455 HG13 VAL 68 3HG1 VAL 68 4.565 3.067 -13.978 456 HG21 VAL 68 1HG2 VAL 68 5.413 -0.579 -15.895 457 HG22 VAL 68 2HG2 VAL 68 6.051 -0.108 -14.320 458 HG23 VAL 68 3HG2 VAL 68 4.348 -0.535 -14.489 459 H PHE 69 H PHE 69 1.661 2.585 -16.504 460 HA PHE 69 HA PHE 69 2.504 5.085 -17.687 461 HB2 PHE 69 2HB PHE 69 -0.216 4.249 -16.659 462 HB3 PHE 69 3HB PHE 69 0.127 5.670 -17.640 463 HD1 PHE 69 HD1 PHE 69 0.651 5.457 -20.000 464 HD2 PHE 69 HD2 PHE 69 -0.268 2.047 -17.625 465 HE1 PHE 69 HE1 PHE 69 0.310 4.130 -22.044 466 HE2 PHE 69 HE2 PHE 69 -0.609 0.714 -19.664 467 HZ PHE 69 HZ PHE 69 -0.320 1.755 -21.877 468 H ASN 70 H ASN 70 2.491 7.094 -16.715 469 HA ASN 70 HA ASN 70 2.818 7.066 -13.832 470 HB2 ASN 70 2HB ASN 70 4.496 8.302 -14.948 471 HB3 ASN 70 3HB ASN 70 3.323 9.129 -15.969 472 HD21 ASN 70 1HD2 ASN 70 3.179 11.181 -15.469 473 HD22 ASN 70 2HD2 ASN 70 3.232 11.854 -13.879 474 H SER 71 H SER 71 0.728 8.590 -16.247 475 HA SER 71 HA SER 71 -0.816 10.004 -14.276 476 HB2 SER 71 2HB SER 71 -1.115 9.578 -17.246 477 HB3 SER 71 3HB SER 71 -2.348 10.410 -16.297 478 HG SER 71 HG SER 71 0.212 11.226 -17.006 479 H SER 72 H SER 72 -2.595 9.347 -13.242 480 HA SER 72 HA SER 72 -3.359 6.644 -13.218 481 HB2 SER 72 2HB SER 72 -5.129 7.318 -11.715 482 HB3 SER 72 3HB SER 72 -3.687 8.259 -11.333 483 HG SER 72 HG SER 72 -5.792 9.409 -11.534 484 H GLU 73 H GLU 73 -5.005 9.491 -14.581 485 HA GLU 73 HA GLU 73 -7.236 8.180 -15.614 486 HB2 GLU 73 2HB GLU 73 -6.429 10.759 -15.531 487 HB3 GLU 73 3HB GLU 73 -6.143 10.405 -17.229 488 HG2 GLU 73 2HG GLU 73 -8.466 9.694 -17.474 489 HG3 GLU 73 3HG GLU 73 -8.753 10.052 -15.772 490 H GLU 74 H GLU 74 -4.249 9.094 -17.338 491 HA GLU 74 HA GLU 74 -4.876 7.812 -19.747 492 HB2 GLU 74 2HB GLU 74 -2.745 9.319 -18.747 493 HB3 GLU 74 3HB GLU 74 -2.031 7.776 -19.193 494 HG2 GLU 74 2HG GLU 74 -1.823 8.986 -21.134 495 HG3 GLU 74 3HG GLU 74 -3.321 8.100 -21.413 496 H ALA 75 H ALA 75 -3.475 6.610 -16.778 497 HA ALA 75 HA ALA 75 -2.448 4.175 -17.746 498 HB1 ALA 75 1HB ALA 75 -2.561 3.432 -15.390 499 HB2 ALA 75 2HB ALA 75 -1.805 5.014 -15.579 500 HB3 ALA 75 3HB ALA 75 -3.467 4.894 -15.001 501 H GLU 76 H GLU 76 -5.586 4.940 -16.246 502 HA GLU 76 HA GLU 76 -6.633 2.322 -16.480 503 HB2 GLU 76 2HB GLU 76 -8.070 4.972 -16.241 504 HB3 GLU 76 3HB GLU 76 -8.823 3.395 -16.046 505 HG2 GLU 76 2HG GLU 76 -6.687 4.603 -14.308 506 HG3 GLU 76 3HG GLU 76 -8.379 4.343 -13.889 507 H ALA 77 H ALA 77 -6.861 5.196 -18.528 508 HA ALA 77 HA ALA 77 -8.728 4.275 -20.377 509 HB1 ALA 77 1HB ALA 77 -7.473 5.854 -21.973 510 HB2 ALA 77 2HB ALA 77 -8.207 6.539 -20.523 511 HB3 ALA 77 3HB ALA 77 -6.470 6.236 -20.574 512 H PHE 78 H PHE 78 -5.177 4.032 -20.477 513 HA PHE 78 HA PHE 78 -5.085 2.575 -22.902 514 HB2 PHE 78 2HB PHE 78 -3.183 3.375 -20.803 515 HB3 PHE 78 3HB PHE 78 -2.766 1.880 -21.634 516 HD1 PHE 78 HD1 PHE 78 -1.519 2.010 -23.557 517 HD2 PHE 78 HD2 PHE 78 -3.879 5.356 -22.396 518 HE1 PHE 78 HE1 PHE 78 -0.594 3.309 -25.431 519 HE2 PHE 78 HE2 PHE 78 -2.959 6.660 -24.268 520 HZ PHE 78 HZ PHE 78 -1.315 5.636 -25.790 521 H GLN 79 H GLN 79 -5.177 1.612 -19.510 522 HA GLN 79 HA GLN 79 -4.641 -1.104 -19.792 523 HB2 GLN 79 2HB GLN 79 -5.648 0.637 -17.750 524 HB3 GLN 79 3HB GLN 79 -6.613 -0.832 -17.780 525 HG2 GLN 79 2HG GLN 79 -4.858 -2.168 -17.173 526 HG3 GLN 79 3HG GLN 79 -3.650 -1.066 -17.832 527 HE21 GLN 79 1HE2 GLN 79 -2.756 0.445 -16.543 528 HE22 GLN 79 2HE2 GLN 79 -3.142 0.654 -14.872 529 H LYS 80 H LYS 80 -7.735 0.620 -19.982 530 HA LYS 80 HA LYS 80 -9.401 -1.602 -20.292 531 HB2 LYS 80 2HB LYS 80 -10.086 0.805 -19.885 532 HB3 LYS 80 3HB LYS 80 -9.834 1.082 -21.603 533 HG2 LYS 80 2HG LYS 80 -11.571 -0.448 -22.179 534 HG3 LYS 80 3HG LYS 80 -11.724 -0.986 -20.505 535 HD2 LYS 80 2HD LYS 80 -13.496 0.491 -20.717 536 HD3 LYS 80 3HD LYS 80 -12.237 1.511 -20.016 537 HE2 LYS 80 2HE LYS 80 -11.656 2.084 -22.463 538 HE3 LYS 80 3HE LYS 80 -13.248 1.427 -22.838 539 HZ1 LYS 80 1HZ LYS 80 -14.231 3.031 -21.328 540 HZ2 LYS 80 2HZ LYS 80 -13.324 3.821 -22.517 541 HZ3 LYS 80 3HZ LYS 80 -12.705 3.656 -20.951 542 H ALA 81 H ALA 81 -8.454 0.618 -22.919 543 HA ALA 81 HA ALA 81 -8.317 -1.717 -24.713 544 HB1 ALA 81 1HB ALA 81 -10.072 -0.856 -25.784 545 HB2 ALA 81 2HB ALA 81 -9.953 0.676 -24.916 546 HB3 ALA 81 3HB ALA 81 -8.971 0.399 -26.355 547 HA PRO 82 HA PRO 82 -4.350 -0.371 -26.019 548 HB2 PRO 82 2HB PRO 82 -4.392 -0.921 -28.677 549 HB3 PRO 82 3HB PRO 82 -4.309 -2.178 -27.436 550 HG2 PRO 82 2HG PRO 82 -6.678 -1.191 -28.976 551 HG3 PRO 82 3HG PRO 82 -6.221 -2.856 -28.572 552 HD2 PRO 82 2HD PRO 82 -8.113 -1.490 -27.198 553 HD3 PRO 82 3HD PRO 82 -7.064 -2.702 -26.433 554 HA PRO 83 HA PRO 83 -4.344 3.696 -27.691 555 HB2 PRO 83 2HB PRO 83 -2.031 3.758 -29.111 556 HB3 PRO 83 3HB PRO 83 -2.073 3.743 -27.344 557 HG2 PRO 83 2HG PRO 83 -1.603 1.481 -29.248 558 HG3 PRO 83 3HG PRO 83 -0.761 1.863 -27.735 559 HD2 PRO 83 2HD PRO 83 -2.677 -0.043 -27.893 560 HD3 PRO 83 3HD PRO 83 -2.415 0.928 -26.430 561 H MET 84 H MET 84 -3.738 1.112 -30.027 562 HA MET 84 HA MET 84 -4.405 0.810 -32.179 563 HB2 MET 84 2HB MET 84 -6.487 2.369 -30.943 564 HB3 MET 84 3HB MET 84 -6.311 2.837 -32.629 565 HG2 MET 84 2HG MET 84 -6.231 0.013 -32.516 566 HG3 MET 84 3HG MET 84 -7.590 0.553 -31.533 567 HE1 MET 84 1HE MET 84 -9.480 -0.645 -33.577 568 HE2 MET 84 2HE MET 84 -9.610 0.550 -32.286 569 HE3 MET 84 3HE MET 84 -10.258 0.907 -33.888 570 H TYR 85 H TYR 85 -2.530 1.426 -33.202 571 HA TYR 85 HA TYR 85 -2.449 4.205 -34.182 572 HB2 TYR 85 2HB TYR 85 -0.467 2.698 -32.777 573 HB3 TYR 85 3HB TYR 85 0.124 3.016 -34.404 574 HD1 TYR 85 HD1 TYR 85 0.467 4.174 -31.276 575 HD2 TYR 85 HD2 TYR 85 -0.757 5.629 -35.082 576 HE1 TYR 85 HE1 TYR 85 1.089 6.455 -30.597 577 HE2 TYR 85 HE2 TYR 85 -0.137 7.914 -34.414 578 HH TYR 85 HH TYR 85 1.764 8.603 -31.764 579 H ASP 86 H ASP 86 -2.602 4.457 -36.307 580 HA ASP 86 HA ASP 86 -3.114 2.413 -38.098 581 HB2 ASP 86 2HB ASP 86 -2.250 5.261 -38.411 582 HB3 ASP 86 3HB ASP 86 -2.299 4.221 -39.832 583 H ASP 87 H ASP 87 -0.042 4.053 -37.436 584 HA ASP 87 HA ASP 87 1.546 2.903 -39.380 585 HB2 ASP 87 2HB ASP 87 2.239 3.661 -36.537 586 HB3 ASP 87 3HB ASP 87 3.437 3.222 -37.751 587 H VAL 88 H VAL 88 1.338 1.746 -36.009 588 HA VAL 88 HA VAL 88 1.653 -0.999 -37.022 589 HB VAL 88 HB VAL 88 3.052 0.142 -34.599 590 HG11 VAL 88 1HG1 VAL 88 2.503 -2.103 -34.107 591 HG12 VAL 88 2HG1 VAL 88 2.920 -2.640 -35.735 592 HG13 VAL 88 3HG1 VAL 88 4.188 -2.118 -34.625 593 HG21 VAL 88 1HG2 VAL 88 4.982 -0.866 -36.242 594 HG22 VAL 88 2HG2 VAL 88 3.838 -0.189 -37.401 595 HG23 VAL 88 3HG2 VAL 88 4.527 0.835 -36.142 596 H GLN 89 H GLN 89 0.227 -2.412 -36.229 597 HA GLN 89 HA GLN 89 -1.900 -1.569 -34.575 598 HB2 GLN 89 2HB GLN 89 -1.277 -3.831 -36.167 599 HB3 GLN 89 3HB GLN 89 -1.680 -4.423 -34.561 600 HG2 GLN 89 2HG GLN 89 -3.438 -2.444 -35.953 601 HG3 GLN 89 3HG GLN 89 -3.552 -4.168 -36.301 602 HE21 GLN 89 1HE2 GLN 89 -5.306 -4.898 -35.332 603 HE22 GLN 89 2HE2 GLN 89 -5.758 -4.596 -33.692 604 H LEU 90 H LEU 90 -1.953 -1.338 -32.447 605 HA LEU 90 HA LEU 90 0.095 -2.665 -30.823 606 HB2 LEU 90 2HB LEU 90 -1.181 -0.091 -30.771 607 HB3 LEU 90 3HB LEU 90 -1.410 -0.913 -29.228 608 HG LEU 90 HG LEU 90 0.535 0.522 -29.136 609 HD11 LEU 90 1HD1 LEU 90 1.839 -0.944 -28.006 610 HD12 LEU 90 2HD1 LEU 90 1.823 -2.135 -29.306 611 HD13 LEU 90 3HD1 LEU 90 0.433 -1.984 -28.232 612 HD21 LEU 90 1HD2 LEU 90 1.514 -1.087 -31.490 613 HD22 LEU 90 2HD2 LEU 90 2.507 0.029 -30.553 614 HD23 LEU 90 3HD2 LEU 90 1.123 0.633 -31.466 615 H THR 91 H THR 91 -0.387 -4.105 -29.252 616 HA THR 91 HA THR 91 -3.232 -4.651 -28.721 617 HB THR 91 HB THR 91 -1.367 -6.947 -28.581 618 HG1 THR 91 HG1 THR 91 -1.435 -7.247 -30.833 619 HG21 THR 91 1HG2 THR 91 -3.500 -7.648 -28.160 620 HG22 THR 91 2HG2 THR 91 -3.492 -7.835 -29.914 621 HG23 THR 91 3HG2 THR 91 -4.225 -6.408 -29.182 622 H ALA 92 H ALA 92 -3.441 -3.860 -26.700 623 HA ALA 92 HA ALA 92 -1.453 -4.664 -24.684 624 HB1 ALA 92 1HB ALA 92 -1.537 -2.585 -23.916 625 HB2 ALA 92 2HB ALA 92 -2.623 -2.167 -25.241 626 HB3 ALA 92 3HB ALA 92 -3.283 -2.700 -23.696 627 H GLU 93 H GLU 93 -2.056 -5.775 -22.881 628 HA GLU 93 HA GLU 93 -4.857 -6.678 -22.787 629 HB2 GLU 93 2HB GLU 93 -2.268 -8.049 -22.327 630 HB3 GLU 93 3HB GLU 93 -3.596 -8.505 -21.270 631 HG2 GLU 93 2HG GLU 93 -3.641 -8.589 -24.278 632 HG3 GLU 93 3HG GLU 93 -3.428 -9.974 -23.208 633 H MET 94 H MET 94 -5.602 -7.314 -20.554 634 HA MET 94 HA MET 94 -4.821 -5.199 -18.679 635 HB2 MET 94 2HB MET 94 -7.291 -5.883 -19.542 636 HB3 MET 94 3HB MET 94 -7.185 -6.876 -18.095 637 HG2 MET 94 2HG MET 94 -7.129 -5.073 -16.690 638 HG3 MET 94 3HG MET 94 -6.439 -4.006 -17.911 639 HE1 MET 94 1HE MET 94 -9.081 -3.870 -15.744 640 HE2 MET 94 2HE MET 94 -10.633 -4.005 -16.570 641 HE3 MET 94 3HE MET 94 -9.654 -5.446 -16.291 642 H LYS 95 H LYS 95 -4.513 -5.666 -16.451 643 HA LYS 95 HA LYS 95 -2.942 -7.935 -15.936 644 HB2 LYS 95 2HB LYS 95 -2.988 -7.219 -13.597 645 HB3 LYS 95 3HB LYS 95 -2.722 -5.849 -14.668 646 HG2 LYS 95 2HG LYS 95 -5.290 -5.540 -14.496 647 HG3 LYS 95 3HG LYS 95 -5.135 -6.547 -13.055 648 HD2 LYS 95 2HD LYS 95 -3.794 -4.981 -11.961 649 HD3 LYS 95 3HD LYS 95 -3.377 -4.152 -13.462 650 HE2 LYS 95 2HE LYS 95 -5.538 -3.188 -13.630 651 HE3 LYS 95 3HE LYS 95 -6.174 -4.226 -12.355 652 HZ1 LYS 95 1HZ LYS 95 -4.302 -1.949 -12.088 653 HZ2 LYS 95 2HZ LYS 95 -4.515 -3.087 -10.855 654 HZ3 LYS 95 3HZ LYS 95 -5.822 -2.144 -11.370 655 H THR 96 H THR 96 -6.344 -7.254 -15.350 656 HA THR 96 HA THR 96 -6.941 -9.433 -13.695 657 HB THR 96 HB THR 96 -8.871 -8.346 -15.735 658 HG1 THR 96 HG1 THR 96 -9.189 -6.586 -14.441 659 HG21 THR 96 1HG2 THR 96 -10.147 -9.829 -14.619 660 HG22 THR 96 2HG2 THR 96 -10.182 -8.596 -13.358 661 HG23 THR 96 3HG2 THR 96 -9.023 -9.922 -13.264 662 H THR 97 H THR 97 -7.097 -9.130 -17.233 663 HA THR 97 HA THR 97 -8.109 -11.653 -17.821 664 HB THR 97 HB THR 97 -6.037 -10.321 -19.551 665 HG1 THR 97 HG1 THR 97 -7.575 -8.887 -20.232 666 HG21 THR 97 1HG2 THR 97 -6.735 -12.350 -20.501 667 HG22 THR 97 2HG2 THR 97 -7.723 -11.133 -21.310 668 HG23 THR 97 3HG2 THR 97 -8.411 -12.105 -20.010 669 H TYR 98 H TYR 98 -4.713 -10.621 -17.565 670 HA TYR 98 HA TYR 98 -3.550 -13.099 -18.144 671 HB2 TYR 98 2HB TYR 98 -2.673 -10.556 -16.953 672 HB3 TYR 98 3HB TYR 98 -1.748 -11.959 -16.432 673 HD1 TYR 98 HD1 TYR 98 -3.168 -10.649 -19.640 674 HD2 TYR 98 HD2 TYR 98 0.167 -12.370 -17.635 675 HE1 TYR 98 HE1 TYR 98 -1.874 -10.564 -21.731 676 HE2 TYR 98 HE2 TYR 98 1.470 -12.289 -19.720 677 HH TYR 98 HH TYR 98 1.508 -11.123 -21.823 678 H LEU 99 H LEU 99 -4.378 -11.637 -15.011 679 HA LEU 99 HA LEU 99 -3.435 -13.630 -13.336 680 HB2 LEU 99 2HB LEU 99 -4.237 -11.495 -12.516 681 HB3 LEU 99 3HB LEU 99 -5.878 -11.892 -13.021 682 HG LEU 99 HG LEU 99 -5.377 -13.943 -11.332 683 HD11 LEU 99 1HD1 LEU 99 -3.650 -11.648 -10.504 684 HD12 LEU 99 2HD1 LEU 99 -3.303 -13.377 -10.485 685 HD13 LEU 99 3HD1 LEU 99 -4.398 -12.684 -9.289 686 HD21 LEU 99 1HD2 LEU 99 -6.728 -11.342 -11.167 687 HD22 LEU 99 2HD2 LEU 99 -6.380 -12.098 -9.612 688 HD23 LEU 99 3HD2 LEU 99 -7.332 -12.963 -10.821 689 H GLU 100 H GLU 100 -6.601 -13.368 -14.916 690 HA GLU 100 HA GLU 100 -7.706 -15.705 -13.779 691 HB2 GLU 100 2HB GLU 100 -8.623 -13.670 -15.411 692 HB3 GLU 100 3HB GLU 100 -8.675 -15.078 -16.463 693 HG2 GLU 100 2HG GLU 100 -9.750 -15.665 -13.846 694 HG3 GLU 100 3HG GLU 100 -10.582 -14.312 -14.609 695 H ARG 101 H ARG 101 -5.871 -15.120 -16.735 696 HA ARG 101 HA ARG 101 -6.194 -17.613 -17.948 697 HB2 ARG 101 2HB ARG 101 -4.265 -15.384 -18.147 698 HB3 ARG 101 3HB ARG 101 -3.680 -16.944 -18.710 699 HG2 ARG 101 2HG ARG 101 -4.969 -16.906 -20.540 700 HG3 ARG 101 3HG ARG 101 -6.352 -16.234 -19.674 701 HD2 ARG 101 2HD ARG 101 -5.810 -14.494 -21.079 702 HD3 ARG 101 3HD ARG 101 -4.902 -14.064 -19.629 703 HE ARG 101 HE ARG 101 -3.149 -15.538 -21.102 704 HH11 ARG 101 1HH1 ARG 101 -5.075 -12.702 -21.709 705 HH12 ARG 101 2HH1 ARG 101 -3.954 -12.024 -22.844 706 HH21 ARG 101 1HH2 ARG 101 -1.666 -14.656 -22.595 707 HH22 ARG 101 2HH2 ARG 101 -2.016 -13.137 -23.347 708 H LYS 102 H LYS 102 -3.458 -16.501 -15.942 709 HA LYS 102 HA LYS 102 -2.172 -18.984 -15.779 710 HB2 LYS 102 2HB LYS 102 -1.007 -18.019 -13.808 711 HB3 LYS 102 3HB LYS 102 -1.003 -16.952 -15.205 712 HG2 LYS 102 2HG LYS 102 -2.892 -15.707 -14.210 713 HG3 LYS 102 3HG LYS 102 -2.772 -16.733 -12.779 714 HD2 LYS 102 2HD LYS 102 -0.429 -15.159 -13.813 715 HD3 LYS 102 3HD LYS 102 -1.606 -14.460 -12.698 716 HE2 LYS 102 2HE LYS 102 -0.957 -16.916 -11.575 717 HE3 LYS 102 3HE LYS 102 0.577 -16.296 -12.184 718 HZ1 LYS 102 1HZ LYS 102 0.219 -15.562 -9.933 719 HZ2 LYS 102 2HZ LYS 102 -1.276 -14.886 -10.341 720 HZ3 LYS 102 3HZ LYS 102 0.149 -14.227 -10.971 721 H ALA 103 H ALA 103 -4.613 -17.491 -13.703 722 HA ALA 103 HA ALA 103 -4.610 -19.313 -11.604 723 HB1 ALA 103 1HB ALA 103 -6.641 -17.468 -12.754 724 HB2 ALA 103 2HB ALA 103 -7.162 -18.662 -11.563 725 HB3 ALA 103 3HB ALA 103 -5.912 -17.489 -11.148 726 H GLU 104 H GLU 104 -6.431 -19.407 -14.653 727 HA GLU 104 HA GLU 104 -7.773 -21.843 -14.062 728 HB2 GLU 104 2HB GLU 104 -8.136 -19.921 -15.922 729 HB3 GLU 104 3HB GLU 104 -7.308 -21.126 -16.897 730 HG2 GLU 104 2HG GLU 104 -9.811 -21.601 -15.295 731 HG3 GLU 104 3HG GLU 104 -9.741 -21.327 -17.035 732 H GLU 105 H GLU 105 -4.793 -21.034 -15.762 733 HA GLU 105 HA GLU 105 -4.237 -23.499 -16.925 734 HB2 GLU 105 2HB GLU 105 -2.981 -21.378 -17.323 735 HB3 GLU 105 3HB GLU 105 -2.217 -21.583 -15.753 736 HG2 GLU 105 2HG GLU 105 -1.218 -23.675 -16.500 737 HG3 GLU 105 3HG GLU 105 -1.995 -23.489 -18.071 738 H ILE 106 H ILE 106 -2.903 -22.267 -13.852 739 HA ILE 106 HA ILE 106 -1.714 -24.646 -13.028 740 HB ILE 106 HB ILE 106 -1.232 -22.512 -11.948 741 HG12 ILE 106 2HG1 ILE 106 -2.401 -24.094 -9.713 742 HG13 ILE 106 3HG1 ILE 106 -1.235 -24.902 -10.754 743 HG21 ILE 106 1HG2 ILE 106 -2.777 -21.439 -10.448 744 HG22 ILE 106 2HG2 ILE 106 -3.550 -21.638 -12.020 745 HG23 ILE 106 3HG2 ILE 106 -3.963 -22.721 -10.691 746 HD11 ILE 106 1HD1 ILE 106 -0.819 -22.449 -9.076 747 HD12 ILE 106 2HD1 ILE 106 -0.035 -24.021 -8.925 748 HD13 ILE 106 3HD1 ILE 106 0.324 -22.986 -10.306 749 H ALA 107 H ALA 107 -5.023 -23.528 -12.714 750 HA ALA 107 HA ALA 107 -5.959 -25.332 -10.801 751 HB1 ALA 107 1HB ALA 107 -7.547 -24.319 -13.151 752 HB2 ALA 107 2HB ALA 107 -8.154 -24.822 -11.573 753 HB3 ALA 107 3HB ALA 107 -7.191 -23.352 -11.719 754 H ALA 108 H ALA 108 -5.747 -25.654 -14.329 755 HA ALA 108 HA ALA 108 -6.949 -28.213 -14.463 756 HB1 ALA 108 1HB ALA 108 -6.730 -26.663 -16.384 757 HB2 ALA 108 2HB ALA 108 -4.998 -26.996 -16.413 758 HB3 ALA 108 3HB ALA 108 -6.151 -28.292 -16.731 759 H LYS 109 H LYS 109 -3.583 -27.143 -14.234 760 HA LYS 109 HA LYS 109 -2.372 -29.658 -14.541 761 HB2 LYS 109 2HB LYS 109 -1.423 -27.228 -13.012 762 HB3 LYS 109 3HB LYS 109 -0.419 -28.617 -13.406 763 HG2 LYS 109 2HG LYS 109 -1.571 -27.780 -15.823 764 HG3 LYS 109 3HG LYS 109 -1.038 -26.317 -14.991 765 HD2 LYS 109 2HD LYS 109 0.821 -27.008 -16.251 766 HD3 LYS 109 3HD LYS 109 1.167 -27.543 -14.605 767 HE2 LYS 109 2HE LYS 109 -0.135 -29.707 -15.579 768 HE3 LYS 109 3HE LYS 109 0.644 -29.109 -17.043 769 HZ1 LYS 109 1HZ LYS 109 2.684 -29.618 -16.274 770 HZ2 LYS 109 2HZ LYS 109 1.837 -30.731 -15.322 771 HZ3 LYS 109 3HZ LYS 109 2.312 -29.246 -14.666 772 H LYS 110 H LYS 110 -3.037 -27.843 -11.541 773 HA LYS 110 HA LYS 110 -2.492 -30.162 -9.916 774 HB2 LYS 110 2HB LYS 110 -3.370 -27.346 -9.337 775 HB3 LYS 110 3HB LYS 110 -3.382 -28.574 -8.078 776 HG2 LYS 110 2HG LYS 110 -0.899 -28.176 -9.670 777 HG3 LYS 110 3HG LYS 110 -1.315 -27.004 -8.417 778 HD2 LYS 110 2HD LYS 110 -1.404 -29.915 -7.771 779 HD3 LYS 110 3HD LYS 110 0.161 -29.104 -7.859 780 HE2 LYS 110 2HE LYS 110 -1.990 -27.788 -6.293 781 HE3 LYS 110 3HE LYS 110 -1.253 -29.236 -5.610 782 HZ1 LYS 110 1HZ LYS 110 0.127 -26.729 -6.396 783 HZ2 LYS 110 2HZ LYS 110 0.935 -28.146 -5.947 784 HZ3 LYS 110 3HZ LYS 110 -0.057 -27.348 -4.832 Start of MODEL 2 1 H1 THR 12 H THR 12 -0.184 -0.393 0.741 2 HA THR 12 HA THR 12 1.147 1.059 -1.272 3 HB THR 12 HB THR 12 1.542 -1.743 -1.687 4 HG1 THR 12 HG1 THR 12 1.344 -2.527 0.260 5 HG21 THR 12 1HG2 THR 12 3.281 0.227 -0.202 6 HG22 THR 12 2HG2 THR 12 3.180 0.128 -1.960 7 HG23 THR 12 3HG2 THR 12 3.796 -1.240 -1.033 8 H ASP 13 H ASP 13 0.963 1.103 -3.455 9 HA ASP 13 HA ASP 13 -1.101 -0.591 -4.692 10 HB2 ASP 13 2HB ASP 13 -1.785 1.320 -6.095 11 HB3 ASP 13 3HB ASP 13 -2.049 1.636 -4.383 12 H HIS 14 H HIS 14 -0.541 -1.532 -6.569 13 HA HIS 14 HA HIS 14 1.915 -0.608 -7.904 14 HB2 HIS 14 2HB HIS 14 2.572 -2.927 -8.298 15 HB3 HIS 14 3HB HIS 14 2.403 -2.624 -6.571 16 HD1 HIS 14 HD1 HIS 14 0.135 -3.559 -5.470 17 HD2 HIS 14 HD2 HIS 14 1.070 -4.996 -9.255 18 HE1 HIS 14 HE1 HIS 14 -1.270 -5.623 -5.772 19 H GLN 15 H GLN 15 1.710 -0.281 -10.024 20 HA GLN 15 HA GLN 15 -0.572 -1.524 -11.412 21 HB2 GLN 15 2HB GLN 15 -0.780 0.523 -12.760 22 HB3 GLN 15 3HB GLN 15 -1.036 0.838 -11.049 23 HG2 GLN 15 2HG GLN 15 1.657 1.274 -11.356 24 HG3 GLN 15 3HG GLN 15 0.978 1.885 -12.864 25 HE21 GLN 15 1HE2 GLN 15 1.112 2.256 -9.417 26 HE22 GLN 15 2HE2 GLN 15 0.367 3.813 -9.349 27 H THR 16 H THR 16 -0.119 -2.575 -13.247 28 HA THR 16 HA THR 16 2.270 -1.941 -14.774 29 HB THR 16 HB THR 16 1.853 -4.727 -13.673 30 HG1 THR 16 HG1 THR 16 4.026 -4.088 -12.724 31 HG21 THR 16 1HG2 THR 16 3.678 -3.548 -15.705 32 HG22 THR 16 2HG2 THR 16 2.932 -5.145 -15.647 33 HG23 THR 16 3HG2 THR 16 4.327 -4.787 -14.631 34 H VAL 17 H VAL 17 1.858 -2.102 -16.882 35 HA VAL 17 HA VAL 17 -0.496 -3.665 -17.718 36 HB VAL 17 HB VAL 17 0.755 -1.347 -19.194 37 HG11 VAL 17 1HG1 VAL 17 -0.410 -2.617 -20.760 38 HG12 VAL 17 2HG1 VAL 17 -1.688 -3.031 -19.616 39 HG13 VAL 17 3HG1 VAL 17 -1.583 -1.395 -20.268 40 HG21 VAL 17 1HG2 VAL 17 -0.099 -0.241 -17.377 41 HG22 VAL 17 2HG2 VAL 17 -1.525 -0.289 -18.414 42 HG23 VAL 17 3HG2 VAL 17 -1.355 -1.447 -17.095 43 H TYR 18 H TYR 18 -0.379 -4.958 -19.556 44 HA TYR 18 HA TYR 18 2.360 -5.593 -20.435 45 HB2 TYR 18 2HB TYR 18 -0.025 -7.434 -20.603 46 HB3 TYR 18 3HB TYR 18 1.676 -7.850 -20.778 47 HD1 TYR 18 HD1 TYR 18 3.077 -8.189 -18.848 48 HD2 TYR 18 HD2 TYR 18 -0.978 -6.987 -18.387 49 HE1 TYR 18 HE1 TYR 18 3.194 -8.735 -16.453 50 HE2 TYR 18 HE2 TYR 18 -0.872 -7.529 -15.990 51 HH TYR 18 HH TYR 18 1.003 -9.394 -14.608 52 H VAL 19 H VAL 19 2.872 -5.328 -22.510 53 HA VAL 19 HA VAL 19 0.691 -5.045 -24.471 54 HB VAL 19 HB VAL 19 3.249 -3.442 -24.508 55 HG11 VAL 19 1HG1 VAL 19 0.932 -3.736 -26.319 56 HG12 VAL 19 2HG1 VAL 19 1.539 -2.097 -26.073 57 HG13 VAL 19 3HG1 VAL 19 2.615 -3.356 -26.680 58 HG21 VAL 19 1HG2 VAL 19 1.906 -1.529 -23.822 59 HG22 VAL 19 2HG2 VAL 19 0.482 -2.560 -23.686 60 HG23 VAL 19 3HG2 VAL 19 1.850 -2.799 -22.600 61 H LYS 20 H LYS 20 1.107 -5.783 -26.564 62 HA LYS 20 HA LYS 20 2.586 -8.093 -26.849 63 HB2 LYS 20 2HB LYS 20 2.444 -7.577 -29.356 64 HB3 LYS 20 3HB LYS 20 0.931 -7.706 -28.469 65 HG2 LYS 20 2HG LYS 20 0.378 -5.580 -28.869 66 HG3 LYS 20 3HG LYS 20 2.014 -4.995 -28.561 67 HD2 LYS 20 2HD LYS 20 1.921 -6.540 -30.992 68 HD3 LYS 20 3HD LYS 20 0.734 -5.235 -31.036 69 HE2 LYS 20 2HE LYS 20 2.377 -3.586 -30.730 70 HE3 LYS 20 3HE LYS 20 3.576 -4.761 -30.189 71 HZ1 LYS 20 1HZ LYS 20 4.302 -4.739 -32.275 72 HZ2 LYS 20 2HZ LYS 20 2.943 -3.905 -32.841 73 HZ3 LYS 20 3HZ LYS 20 2.903 -5.591 -32.700 74 HA PRO 21 HA PRO 21 6.794 -6.985 -27.418 75 HB2 PRO 21 2HB PRO 21 7.599 -8.803 -29.266 76 HB3 PRO 21 3HB PRO 21 7.250 -9.230 -27.587 77 HG2 PRO 21 2HG PRO 21 5.526 -9.531 -30.016 78 HG3 PRO 21 3HG PRO 21 5.791 -10.671 -28.684 79 HD2 PRO 21 2HD PRO 21 3.589 -9.104 -28.843 80 HD3 PRO 21 3HD PRO 21 4.307 -9.586 -27.293 81 H VAL 22 H VAL 22 8.401 -6.249 -28.998 82 HA VAL 22 HA VAL 22 7.109 -4.946 -31.300 83 HB VAL 22 HB VAL 22 9.146 -3.421 -31.220 84 HG11 VAL 22 1HG1 VAL 22 8.135 -2.441 -28.894 85 HG12 VAL 22 2HG1 VAL 22 7.405 -2.208 -30.484 86 HG13 VAL 22 3HG1 VAL 22 6.827 -3.497 -29.426 87 HG21 VAL 22 1HG2 VAL 22 10.420 -3.299 -29.207 88 HG22 VAL 22 2HG2 VAL 22 9.408 -4.512 -28.423 89 HG23 VAL 22 3HG2 VAL 22 10.464 -4.974 -29.758 90 HA PRO 23 HA PRO 23 9.588 -7.161 -34.167 91 HB2 PRO 23 2HB PRO 23 9.988 -5.286 -36.089 92 HB3 PRO 23 3HB PRO 23 8.429 -6.077 -35.829 93 HG2 PRO 23 2HG PRO 23 9.365 -3.387 -34.908 94 HG3 PRO 23 3HG PRO 23 7.798 -3.851 -35.595 95 HD2 PRO 23 2HD PRO 23 8.180 -3.514 -32.936 96 HD3 PRO 23 3HD PRO 23 7.027 -4.694 -33.593 97 HA PRO 24 HA PRO 24 13.887 -6.386 -33.663 98 HB2 PRO 24 2HB PRO 24 14.916 -7.124 -36.064 99 HB3 PRO 24 3HB PRO 24 14.286 -8.287 -34.891 100 HG2 PRO 24 2HG PRO 24 12.968 -7.149 -37.326 101 HG3 PRO 24 3HG PRO 24 12.975 -8.821 -36.735 102 HD2 PRO 24 2HD PRO 24 10.882 -7.147 -36.345 103 HD3 PRO 24 3HD PRO 24 11.324 -8.411 -35.180 104 H THR 25 H THR 25 12.193 -4.782 -36.219 105 HA THR 25 HA THR 25 14.397 -3.046 -36.922 106 HB THR 25 HB THR 25 11.489 -2.811 -37.717 107 HG1 THR 25 HG1 THR 25 13.675 -4.197 -38.894 108 HG21 THR 25 1HG2 THR 25 13.190 -1.818 -39.711 109 HG22 THR 25 2HG2 THR 25 13.812 -1.174 -38.191 110 HG23 THR 25 3HG2 THR 25 12.133 -0.890 -38.648 111 H ALA 26 H ALA 26 11.460 -2.896 -34.991 112 HA ALA 26 HA ALA 26 11.344 -0.146 -34.533 113 HB1 ALA 26 1HB ALA 26 10.176 -0.813 -32.386 114 HB2 ALA 26 2HB ALA 26 9.487 -1.444 -33.882 115 HB3 ALA 26 3HB ALA 26 10.474 -2.486 -32.858 116 H THR 27 H THR 27 12.949 1.085 -33.809 117 HA THR 27 HA THR 27 14.939 0.013 -31.983 118 HB THR 27 HB THR 27 15.723 2.556 -32.237 119 HG1 THR 27 HG1 THR 27 14.427 2.082 -34.721 120 HG21 THR 27 1HG2 THR 27 16.840 1.733 -34.459 121 HG22 THR 27 2HG2 THR 27 16.099 0.192 -34.027 122 HG23 THR 27 3HG2 THR 27 17.243 0.960 -32.926 123 H LEU 28 H LEU 28 15.684 1.614 -30.211 124 HA LEU 28 HA LEU 28 13.519 1.920 -28.388 125 HB2 LEU 28 2HB LEU 28 15.649 1.343 -27.512 126 HB3 LEU 28 3HB LEU 28 16.415 2.727 -28.290 127 HG LEU 28 HG LEU 28 14.366 3.620 -26.482 128 HD11 LEU 28 1HD1 LEU 28 16.505 1.885 -25.257 129 HD12 LEU 28 2HD1 LEU 28 14.789 1.488 -25.340 130 HD13 LEU 28 3HD1 LEU 28 15.329 2.872 -24.389 131 HD21 LEU 28 1HD2 LEU 28 17.263 4.034 -26.985 132 HD22 LEU 28 2HD2 LEU 28 16.611 4.551 -25.430 133 HD23 LEU 28 3HD2 LEU 28 15.944 5.203 -26.927 134 H GLU 29 H GLU 29 15.494 4.181 -30.262 135 HA GLU 29 HA GLU 29 14.412 6.550 -29.188 136 HB2 GLU 29 2HB GLU 29 16.508 6.476 -30.485 137 HB3 GLU 29 3HB GLU 29 15.591 6.084 -31.933 138 HG2 GLU 29 2HG GLU 29 14.352 8.274 -31.540 139 HG3 GLU 29 3HG GLU 29 15.635 8.653 -30.392 140 H GLN 30 H GLN 30 13.493 4.579 -31.978 141 HA GLN 30 HA GLN 30 11.477 6.306 -32.942 142 HB2 GLN 30 2HB GLN 30 12.496 4.499 -34.285 143 HB3 GLN 30 3HB GLN 30 11.705 3.308 -33.260 144 HG2 GLN 30 2HG GLN 30 9.609 4.870 -34.051 145 HG3 GLN 30 3HG GLN 30 10.648 4.883 -35.475 146 HE21 GLN 30 1HE2 GLN 30 9.205 2.690 -33.104 147 HE22 GLN 30 2HE2 GLN 30 8.960 1.380 -34.203 148 H LEU 31 H LEU 31 11.287 3.374 -30.930 149 HA LEU 31 HA LEU 31 8.533 3.341 -30.549 150 HB2 LEU 31 2HB LEU 31 10.873 2.154 -29.282 151 HB3 LEU 31 3HB LEU 31 9.545 2.426 -28.155 152 HG LEU 31 HG LEU 31 9.281 0.878 -30.729 153 HD11 LEU 31 1HD1 LEU 31 10.810 0.015 -28.734 154 HD12 LEU 31 2HD1 LEU 31 9.771 -1.064 -29.663 155 HD13 LEU 31 3HD1 LEU 31 9.240 -0.468 -28.091 156 HD21 LEU 31 1HD2 LEU 31 7.256 1.987 -29.631 157 HD22 LEU 31 2HD2 LEU 31 7.475 0.814 -28.332 158 HD23 LEU 31 3HD2 LEU 31 7.153 0.260 -29.976 159 H THR 32 H THR 32 11.034 4.832 -28.500 160 HA THR 32 HA THR 32 9.339 5.906 -26.564 161 HB THR 32 HB THR 32 11.970 7.025 -27.550 162 HG1 THR 32 HG1 THR 32 12.694 5.275 -26.608 163 HG21 THR 32 1HG2 THR 32 10.231 7.667 -25.197 164 HG22 THR 32 2HG2 THR 32 11.076 8.760 -26.293 165 HG23 THR 32 3HG2 THR 32 11.980 7.851 -25.084 166 H GLU 33 H GLU 33 10.610 7.413 -29.529 167 HA GLU 33 HA GLU 33 9.491 9.924 -29.268 168 HB2 GLU 33 2HB GLU 33 11.063 8.997 -31.089 169 HB3 GLU 33 3HB GLU 33 9.593 8.503 -31.916 170 HG2 GLU 33 2HG GLU 33 8.957 11.044 -31.453 171 HG3 GLU 33 3HG GLU 33 10.712 11.204 -31.482 172 H PHE 34 H PHE 34 8.077 7.169 -31.039 173 HA PHE 34 HA PHE 34 5.644 8.327 -31.676 174 HB2 PHE 34 2HB PHE 34 6.687 5.583 -31.459 175 HB3 PHE 34 3HB PHE 34 4.940 5.716 -31.278 176 HD1 PHE 34 HD1 PHE 34 3.970 7.555 -33.098 177 HD2 PHE 34 HD2 PHE 34 7.349 5.009 -33.566 178 HE1 PHE 34 HE1 PHE 34 3.726 7.687 -35.543 179 HE2 PHE 34 HE2 PHE 34 7.111 5.137 -36.011 180 HZ PHE 34 HZ PHE 34 5.298 6.477 -37.003 181 H PHE 35 H PHE 35 6.584 6.583 -28.743 182 HA PHE 35 HA PHE 35 4.105 6.455 -27.492 183 HB2 PHE 35 2HB PHE 35 6.897 6.194 -26.701 184 HB3 PHE 35 3HB PHE 35 5.904 6.878 -25.418 185 HD1 PHE 35 HD1 PHE 35 3.510 5.595 -25.244 186 HD2 PHE 35 HD2 PHE 35 7.175 3.930 -26.625 187 HE1 PHE 35 HE1 PHE 35 2.700 3.344 -24.669 188 HE2 PHE 35 HE2 PHE 35 6.370 1.676 -26.054 189 HZ PHE 35 HZ PHE 35 4.130 1.381 -25.076 190 H SER 36 H SER 36 6.612 8.964 -27.155 191 HA SER 36 HA SER 36 5.147 10.641 -25.447 192 HB2 SER 36 2HB SER 36 7.641 10.761 -26.915 193 HB3 SER 36 3HB SER 36 6.807 12.314 -26.963 194 HG SER 36 HG SER 36 6.878 12.433 -24.782 195 H LYS 37 H LYS 37 5.181 10.302 -28.927 196 HA LYS 37 HA LYS 37 3.875 12.700 -29.603 197 HB2 LYS 37 2HB LYS 37 5.036 10.852 -31.081 198 HB3 LYS 37 3HB LYS 37 3.406 10.198 -31.173 199 HG2 LYS 37 2HG LYS 37 2.758 12.618 -31.865 200 HG3 LYS 37 3HG LYS 37 4.476 12.769 -32.242 201 HD2 LYS 37 2HD LYS 37 2.778 10.515 -33.285 202 HD3 LYS 37 3HD LYS 37 2.955 12.047 -34.143 203 HE2 LYS 37 2HE LYS 37 5.200 10.189 -33.360 204 HE3 LYS 37 3HE LYS 37 4.517 10.355 -34.977 205 HZ1 LYS 37 1HZ LYS 37 6.405 12.038 -33.599 206 HZ2 LYS 37 2HZ LYS 37 5.154 12.897 -34.346 207 HZ3 LYS 37 3HZ LYS 37 6.127 11.856 -35.258 208 H HIS 38 H HIS 38 2.665 9.554 -28.600 209 HA HIS 38 HA HIS 38 0.048 10.753 -28.128 210 HB2 HIS 38 2HB HIS 38 0.171 9.581 -30.436 211 HB3 HIS 38 3HB HIS 38 0.179 8.084 -29.507 212 HD1 HIS 38 HD1 HIS 38 -1.899 11.024 -28.456 213 HD2 HIS 38 HD2 HIS 38 -2.375 7.341 -30.318 214 HE1 HIS 38 HE1 HIS 38 -4.382 10.634 -28.551 215 H GLY 39 H GLY 39 -0.228 10.426 -26.019 216 HA2 GLY 39 2HA GLY 39 -0.877 8.954 -24.258 217 HA3 GLY 39 3HA GLY 39 0.108 7.696 -24.989 218 H THR 40 H THR 40 -0.009 8.977 -22.239 219 HA THR 40 HA THR 40 2.812 9.805 -22.054 220 HB THR 40 HB THR 40 0.636 10.296 -20.015 221 HG1 THR 40 HG1 THR 40 0.480 11.418 -22.154 222 HG21 THR 40 1HG2 THR 40 2.996 10.244 -19.195 223 HG22 THR 40 2HG2 THR 40 2.199 11.804 -18.988 224 HG23 THR 40 3HG2 THR 40 3.356 11.571 -20.298 225 H VAL 41 H VAL 41 4.117 8.237 -21.391 226 HA VAL 41 HA VAL 41 3.101 6.304 -19.409 227 HB VAL 41 HB VAL 41 4.675 4.664 -20.297 228 HG11 VAL 41 1HG1 VAL 41 2.313 5.169 -21.301 229 HG12 VAL 41 2HG1 VAL 41 3.244 5.664 -22.716 230 HG13 VAL 41 3HG1 VAL 41 3.391 4.020 -22.093 231 HG21 VAL 41 1HG2 VAL 41 6.493 5.825 -21.136 232 HG22 VAL 41 2HG2 VAL 41 5.686 5.286 -22.608 233 HG23 VAL 41 3HG2 VAL 41 5.486 6.947 -22.051 234 H GLN 42 H GLN 42 4.363 5.817 -17.649 235 HA GLN 42 HA GLN 42 6.264 7.788 -16.849 236 HB2 GLN 42 2HB GLN 42 4.622 6.360 -15.407 237 HB3 GLN 42 3HB GLN 42 5.916 5.171 -15.429 238 HG2 GLN 42 2HG GLN 42 6.668 7.930 -14.696 239 HG3 GLN 42 3HG GLN 42 5.674 7.041 -13.543 240 HE21 GLN 42 1HE2 GLN 42 8.753 7.761 -14.364 241 HE22 GLN 42 2HE2 GLN 42 9.573 6.414 -13.660 242 H ALA 43 H ALA 43 6.563 4.263 -17.318 243 HA ALA 43 HA ALA 43 9.159 4.597 -18.539 244 HB1 ALA 43 1HB ALA 43 9.984 4.650 -16.350 245 HB2 ALA 43 2HB ALA 43 8.860 3.407 -15.800 246 HB3 ALA 43 3HB ALA 43 10.202 2.976 -16.860 247 H VAL 44 H VAL 44 10.087 2.468 -19.207 248 HA VAL 44 HA VAL 44 8.145 0.295 -19.379 249 HB VAL 44 HB VAL 44 7.713 1.639 -21.381 250 HG11 VAL 44 1HG1 VAL 44 10.421 1.014 -22.457 251 HG12 VAL 44 2HG1 VAL 44 9.305 2.309 -22.894 252 HG13 VAL 44 3HG1 VAL 44 10.223 2.404 -21.391 253 HG21 VAL 44 1HG2 VAL 44 7.625 -0.887 -21.377 254 HG22 VAL 44 2HG2 VAL 44 7.781 -0.124 -22.959 255 HG23 VAL 44 3HG2 VAL 44 9.189 -0.855 -22.190 256 H TRP 45 H TRP 45 9.052 -1.725 -19.649 257 HA TRP 45 HA TRP 45 11.815 -2.076 -20.329 258 HB2 TRP 45 2HB TRP 45 11.668 -1.328 -17.824 259 HB3 TRP 45 3HB TRP 45 11.138 -2.986 -17.554 260 HD1 TRP 45 HD1 TRP 45 13.033 -4.614 -17.031 261 HE1 TRP 45 HE1 TRP 45 15.570 -4.698 -17.457 262 HE3 TRP 45 HE3 TRP 45 13.533 -0.346 -19.801 263 HZ2 TRP 45 HZ2 TRP 45 17.525 -3.159 -18.791 264 HZ3 TRP 45 HZ3 TRP 45 15.771 0.277 -20.614 265 HH2 TRP 45 HH2 TRP 45 17.724 -1.101 -20.117 266 H ARG 46 H ARG 46 12.466 -4.418 -20.098 267 HA ARG 46 HA ARG 46 10.344 -6.350 -19.860 268 HB2 ARG 46 2HB ARG 46 10.569 -7.221 -22.158 269 HB3 ARG 46 3HB ARG 46 9.925 -5.584 -22.127 270 HG2 ARG 46 2HG ARG 46 12.857 -5.953 -22.458 271 HG3 ARG 46 3HG ARG 46 11.796 -6.285 -23.827 272 HD2 ARG 46 2HD ARG 46 11.051 -3.817 -22.551 273 HD3 ARG 46 3HD ARG 46 12.763 -3.798 -22.974 274 HE ARG 46 HE ARG 46 11.306 -4.753 -25.169 275 HH11 ARG 46 1HH1 ARG 46 11.783 -1.818 -23.359 276 HH12 ARG 46 2HH1 ARG 46 11.453 -0.779 -24.706 277 HH21 ARG 46 1HH2 ARG 46 10.869 -3.397 -26.950 278 HH22 ARG 46 2HH2 ARG 46 10.932 -1.678 -26.748 279 H ARG 47 H ARG 47 11.099 -8.424 -19.554 280 HA ARG 47 HA ARG 47 13.911 -9.011 -19.998 281 HB2 ARG 47 2HB ARG 47 14.276 -9.728 -17.669 282 HB3 ARG 47 3HB ARG 47 13.947 -8.004 -17.785 283 HG2 ARG 47 2HG ARG 47 11.597 -9.713 -17.325 284 HG3 ARG 47 3HG ARG 47 12.773 -9.651 -16.010 285 HD2 ARG 47 2HD ARG 47 12.435 -7.008 -16.928 286 HD3 ARG 47 3HD ARG 47 10.822 -7.706 -16.788 287 HE ARG 47 HE ARG 47 12.185 -8.363 -14.466 288 HH11 ARG 47 1HH1 ARG 47 11.117 -5.483 -16.106 289 HH12 ARG 47 2HH1 ARG 47 10.925 -4.567 -14.648 290 HH21 ARG 47 1HH2 ARG 47 11.936 -7.168 -12.540 291 HH22 ARG 47 2HH2 ARG 47 11.392 -5.526 -12.620 292 H TYR 48 H TYR 48 14.419 -11.295 -19.637 293 HA TYR 48 HA TYR 48 12.131 -13.094 -19.452 294 HB2 TYR 48 2HB TYR 48 12.911 -14.319 -21.509 295 HB3 TYR 48 3HB TYR 48 12.207 -12.735 -21.817 296 HD1 TYR 48 HD1 TYR 48 15.228 -14.762 -21.965 297 HD2 TYR 48 HD2 TYR 48 13.641 -10.848 -22.482 298 HE1 TYR 48 HE1 TYR 48 17.255 -14.109 -23.196 299 HE2 TYR 48 HE2 TYR 48 15.663 -10.185 -23.715 300 HH TYR 48 HH TYR 48 18.403 -12.390 -24.072 301 H PHE 49 H PHE 49 12.614 -14.823 -18.269 302 HA PHE 49 HA PHE 49 15.330 -15.217 -17.373 303 HB2 PHE 49 2HB PHE 49 12.667 -15.970 -16.475 304 HB3 PHE 49 3HB PHE 49 13.802 -17.311 -16.365 305 HD1 PHE 49 HD1 PHE 49 13.121 -13.864 -15.261 306 HD2 PHE 49 HD2 PHE 49 15.520 -17.340 -14.734 307 HE1 PHE 49 HE1 PHE 49 14.017 -12.924 -13.171 308 HE2 PHE 49 HE2 PHE 49 16.419 -16.407 -12.643 309 HZ PHE 49 HZ PHE 49 15.668 -14.196 -11.859 310 H ALA 50 H ALA 50 16.750 -16.550 -18.266 311 HA ALA 50 HA ALA 50 15.999 -18.265 -20.444 312 HB1 ALA 50 1HB ALA 50 18.096 -17.829 -21.019 313 HB2 ALA 50 2HB ALA 50 18.409 -17.095 -19.445 314 HB3 ALA 50 3HB ALA 50 18.648 -18.828 -19.674 315 H GLY 51 H GLY 51 16.939 -18.695 -17.074 316 HA2 GLY 51 2HA GLY 51 16.365 -20.497 -15.703 317 HA3 GLY 51 3HA GLY 51 15.837 -21.382 -17.127 318 H LYS 52 H LYS 52 18.177 -21.167 -14.769 319 HA LYS 52 HA LYS 52 19.891 -23.031 -16.242 320 HB2 LYS 52 2HB LYS 52 20.714 -20.509 -16.079 321 HB3 LYS 52 3HB LYS 52 21.229 -21.032 -14.480 322 HG2 LYS 52 2HG LYS 52 23.095 -21.741 -15.447 323 HG3 LYS 52 3HG LYS 52 22.130 -23.042 -16.149 324 HD2 LYS 52 2HD LYS 52 21.683 -21.638 -18.111 325 HD3 LYS 52 3HD LYS 52 22.663 -20.349 -17.408 326 HE2 LYS 52 2HE LYS 52 24.290 -21.288 -18.662 327 HE3 LYS 52 3HE LYS 52 24.418 -22.382 -17.286 328 HZ1 LYS 52 1HZ LYS 52 22.445 -23.152 -19.249 329 HZ2 LYS 52 2HZ LYS 52 23.620 -24.087 -18.470 330 HZ3 LYS 52 3HZ LYS 52 24.036 -23.164 -19.826 331 H LYS 53 H LYS 53 18.070 -23.920 -14.499 332 HA LYS 53 HA LYS 53 19.729 -24.918 -12.321 333 HB2 LYS 53 2HB LYS 53 17.901 -24.539 -10.669 334 HB3 LYS 53 3HB LYS 53 18.638 -23.055 -11.260 335 HG2 LYS 53 2HG LYS 53 16.413 -23.738 -12.921 336 HG3 LYS 53 3HG LYS 53 15.917 -23.745 -11.227 337 HD2 LYS 53 2HD LYS 53 16.332 -21.510 -10.955 338 HD3 LYS 53 3HD LYS 53 17.594 -21.484 -12.189 339 HE2 LYS 53 2HE LYS 53 15.865 -21.714 -13.927 340 HE3 LYS 53 3HE LYS 53 14.623 -21.681 -12.677 341 HZ1 LYS 53 1HZ LYS 53 15.427 -19.520 -13.973 342 HZ2 LYS 53 2HZ LYS 53 16.514 -19.470 -12.678 343 HZ3 LYS 53 3HZ LYS 53 14.848 -19.470 -12.385 344 H ASP 54 H ASP 54 18.283 -26.578 -11.009 345 HA ASP 54 HA ASP 54 17.099 -28.341 -13.033 346 HB2 ASP 54 2HB ASP 54 18.226 -28.913 -10.287 347 HB3 ASP 54 3HB ASP 54 17.420 -30.121 -11.284 348 H ALA 55 H ALA 55 15.710 -26.070 -11.740 349 HA ALA 55 HA ALA 55 13.588 -27.543 -10.322 350 HB1 ALA 55 1HB ALA 55 14.953 -25.274 -9.531 351 HB2 ALA 55 2HB ALA 55 13.415 -24.653 -10.132 352 HB3 ALA 55 3HB ALA 55 13.436 -25.872 -8.857 353 HA PRO 56 HA PRO 56 10.663 -26.699 -13.482 354 HB2 PRO 56 2HB PRO 56 8.417 -26.139 -12.064 355 HB3 PRO 56 3HB PRO 56 9.096 -27.766 -12.184 356 HG2 PRO 56 2HG PRO 56 9.364 -25.760 -9.978 357 HG3 PRO 56 3HG PRO 56 9.073 -27.506 -9.873 358 HD2 PRO 56 2HD PRO 56 11.519 -26.410 -9.484 359 HD3 PRO 56 3HD PRO 56 11.297 -28.023 -10.193 360 HA PRO 57 HA PRO 57 10.205 -22.412 -14.345 361 HB2 PRO 57 2HB PRO 57 7.808 -22.307 -15.615 362 HB3 PRO 57 3HB PRO 57 9.255 -23.004 -16.351 363 HG2 PRO 57 2HG PRO 57 6.961 -24.381 -15.008 364 HG3 PRO 57 3HG PRO 57 7.808 -24.818 -16.504 365 HD2 PRO 57 2HD PRO 57 8.306 -26.038 -14.138 366 HD3 PRO 57 3HD PRO 57 9.559 -25.802 -15.373 367 H GLU 58 H GLU 58 10.034 -21.431 -12.328 368 HA GLU 58 HA GLU 58 7.417 -21.278 -11.054 369 HB2 GLU 58 2HB GLU 58 9.743 -21.605 -9.885 370 HB3 GLU 58 3HB GLU 58 9.845 -19.856 -10.033 371 HG2 GLU 58 2HG GLU 58 8.632 -19.636 -8.204 372 HG3 GLU 58 3HG GLU 58 7.290 -20.460 -8.996 373 H SER 59 H SER 59 9.811 -19.173 -12.577 374 HA SER 59 HA SER 59 8.118 -16.839 -12.231 375 HB2 SER 59 2HB SER 59 10.071 -15.857 -13.729 376 HB3 SER 59 3HB SER 59 10.315 -16.169 -12.011 377 HG SER 59 HG SER 59 12.013 -17.068 -13.163 378 H ARG 60 H ARG 60 7.845 -15.398 -14.220 379 HA ARG 60 HA ARG 60 6.897 -17.078 -16.444 380 HB2 ARG 60 2HB ARG 60 5.947 -14.364 -15.510 381 HB3 ARG 60 3HB ARG 60 5.355 -15.187 -16.946 382 HG2 ARG 60 2HG ARG 60 5.097 -16.146 -14.104 383 HG3 ARG 60 3HG ARG 60 3.812 -15.479 -15.113 384 HD2 ARG 60 2HD ARG 60 4.359 -17.384 -16.735 385 HD3 ARG 60 3HD ARG 60 5.252 -18.098 -15.393 386 HE ARG 60 HE ARG 60 2.430 -18.067 -15.736 387 HH11 ARG 60 1HH1 ARG 60 4.937 -17.935 -13.325 388 HH12 ARG 60 2HH1 ARG 60 3.947 -18.604 -12.071 389 HH21 ARG 60 1HH2 ARG 60 1.116 -18.949 -14.094 390 HH22 ARG 60 2HH2 ARG 60 1.774 -19.182 -12.509 391 H THR 61 H THR 61 8.166 -17.017 -18.168 392 HA THR 61 HA THR 61 9.600 -14.515 -18.780 393 HB THR 61 HB THR 61 11.224 -16.196 -18.354 394 HG1 THR 61 HG1 THR 61 12.165 -16.417 -20.467 395 HG21 THR 61 1HG2 THR 61 9.249 -17.946 -19.570 396 HG22 THR 61 2HG2 THR 61 10.568 -18.332 -18.465 397 HG23 THR 61 3HG2 THR 61 10.871 -18.235 -20.199 398 H LYS 62 H LYS 62 8.483 -13.446 -20.288 399 HA LYS 62 HA LYS 62 7.791 -14.875 -22.753 400 HB2 LYS 62 2HB LYS 62 5.690 -13.375 -22.813 401 HB3 LYS 62 3HB LYS 62 5.668 -14.802 -21.786 402 HG2 LYS 62 2HG LYS 62 6.619 -12.355 -20.475 403 HG3 LYS 62 3HG LYS 62 4.932 -12.324 -20.993 404 HD2 LYS 62 2HD LYS 62 5.752 -14.809 -19.667 405 HD3 LYS 62 3HD LYS 62 5.825 -13.374 -18.641 406 HE2 LYS 62 2HE LYS 62 3.614 -13.362 -18.423 407 HE3 LYS 62 3HE LYS 62 3.402 -13.351 -20.173 408 HZ1 LYS 62 1HZ LYS 62 2.618 -15.400 -19.997 409 HZ2 LYS 62 2HZ LYS 62 2.988 -15.471 -18.348 410 HZ3 LYS 62 3HZ LYS 62 4.145 -15.927 -19.494 411 HA PRO 63 HA PRO 63 9.560 -11.446 -24.844 412 HB2 PRO 63 2HB PRO 63 8.016 -11.293 -27.072 413 HB3 PRO 63 3HB PRO 63 9.191 -12.586 -26.804 414 HG2 PRO 63 2HG PRO 63 6.227 -12.605 -26.389 415 HG3 PRO 63 3HG PRO 63 7.263 -13.849 -27.113 416 HD2 PRO 63 2HD PRO 63 6.369 -14.002 -24.562 417 HD3 PRO 63 3HD PRO 63 7.941 -14.656 -25.064 418 H SER 64 H SER 64 6.245 -11.362 -23.898 419 HA SER 64 HA SER 64 5.375 -8.906 -24.813 420 HB2 SER 64 2HB SER 64 4.705 -10.666 -22.544 421 HB3 SER 64 3HB SER 64 4.265 -8.972 -22.322 422 HG SER 64 HG SER 64 3.162 -9.106 -24.346 423 H VAL 65 H VAL 65 5.343 -6.809 -23.911 424 HA VAL 65 HA VAL 65 7.699 -6.224 -22.252 425 HB VAL 65 HB VAL 65 7.450 -3.887 -23.093 426 HG11 VAL 65 1HG1 VAL 65 8.941 -5.636 -24.128 427 HG12 VAL 65 2HG1 VAL 65 7.690 -5.863 -25.351 428 HG13 VAL 65 3HG1 VAL 65 8.488 -4.299 -25.184 429 HG21 VAL 65 1HG2 VAL 65 4.950 -4.410 -23.692 430 HG22 VAL 65 2HG2 VAL 65 5.880 -3.254 -24.647 431 HG23 VAL 65 3HG2 VAL 65 5.644 -4.899 -25.238 432 H PHE 66 H PHE 66 7.554 -4.766 -20.516 433 HA PHE 66 HA PHE 66 4.836 -4.484 -19.424 434 HB2 PHE 66 2HB PHE 66 7.409 -4.390 -17.850 435 HB3 PHE 66 3HB PHE 66 5.772 -4.574 -17.230 436 HD1 PHE 66 HD1 PHE 66 8.574 -6.295 -17.295 437 HD2 PHE 66 HD2 PHE 66 4.644 -6.657 -18.888 438 HE1 PHE 66 HE1 PHE 66 8.831 -8.741 -17.364 439 HE2 PHE 66 HE2 PHE 66 4.894 -9.103 -18.959 440 HZ PHE 66 HZ PHE 66 6.989 -10.149 -18.195 441 H VAL 67 H VAL 67 4.023 -2.510 -19.169 442 HA VAL 67 HA VAL 67 5.877 -0.221 -19.112 443 HB VAL 67 HB VAL 67 4.232 1.099 -20.377 444 HG11 VAL 67 1HG1 VAL 67 5.580 -1.286 -21.486 445 HG12 VAL 67 2HG1 VAL 67 4.409 -0.482 -22.533 446 HG13 VAL 67 3HG1 VAL 67 5.779 0.420 -21.885 447 HG21 VAL 67 1HG2 VAL 67 2.430 -0.171 -21.596 448 HG22 VAL 67 2HG2 VAL 67 2.749 -1.519 -20.504 449 HG23 VAL 67 3HG2 VAL 67 2.179 0.022 -19.861 450 H VAL 68 H VAL 68 5.383 1.443 -17.730 451 HA VAL 68 HA VAL 68 3.036 1.038 -15.990 452 HB VAL 68 HB VAL 68 5.677 2.248 -15.163 453 HG11 VAL 68 1HG1 VAL 68 3.039 2.060 -13.928 454 HG12 VAL 68 2HG1 VAL 68 4.343 1.457 -12.903 455 HG13 VAL 68 3HG1 VAL 68 4.405 3.103 -13.534 456 HG21 VAL 68 1HG2 VAL 68 6.253 0.032 -15.374 457 HG22 VAL 68 2HG2 VAL 68 5.653 0.064 -13.716 458 HG23 VAL 68 3HG2 VAL 68 4.624 -0.539 -15.015 459 H PHE 69 H PHE 69 1.581 2.594 -16.199 460 HA PHE 69 HA PHE 69 2.265 5.111 -17.439 461 HB2 PHE 69 2HB PHE 69 -0.353 4.026 -16.384 462 HB3 PHE 69 3HB PHE 69 -0.182 5.581 -17.193 463 HD1 PHE 69 HD1 PHE 69 0.322 5.694 -19.576 464 HD2 PHE 69 HD2 PHE 69 -0.279 1.969 -17.607 465 HE1 PHE 69 HE1 PHE 69 0.034 4.592 -21.757 466 HE2 PHE 69 HE2 PHE 69 -0.567 0.860 -19.785 467 HZ PHE 69 HZ PHE 69 -0.410 2.171 -21.863 468 H ASN 70 H ASN 70 2.296 7.109 -16.499 469 HA ASN 70 HA ASN 70 2.652 7.164 -13.628 470 HB2 ASN 70 2HB ASN 70 4.255 8.449 -14.776 471 HB3 ASN 70 3HB ASN 70 3.046 9.175 -15.832 472 HD21 ASN 70 1HD2 ASN 70 3.227 8.808 -12.312 473 HD22 ASN 70 2HD2 ASN 70 3.082 10.493 -11.957 474 H SER 71 H SER 71 0.419 8.497 -16.019 475 HA SER 71 HA SER 71 -1.142 9.850 -13.990 476 HB2 SER 71 2HB SER 71 -2.111 9.475 -16.797 477 HB3 SER 71 3HB SER 71 -2.291 10.866 -15.727 478 HG SER 71 HG SER 71 -0.065 11.289 -16.035 479 H SER 72 H SER 72 -2.918 9.098 -13.013 480 HA SER 72 HA SER 72 -3.595 6.373 -13.115 481 HB2 SER 72 2HB SER 72 -5.720 8.148 -12.133 482 HB3 SER 72 3HB SER 72 -4.868 6.844 -11.307 483 HG SER 72 HG SER 72 -3.404 8.226 -10.590 484 H GLU 73 H GLU 73 -5.279 9.227 -14.409 485 HA GLU 73 HA GLU 73 -7.486 7.935 -15.498 486 HB2 GLU 73 2HB GLU 73 -6.701 10.506 -15.366 487 HB3 GLU 73 3HB GLU 73 -6.339 10.182 -17.056 488 HG2 GLU 73 2HG GLU 73 -8.784 9.184 -17.016 489 HG3 GLU 73 3HG GLU 73 -8.953 10.297 -15.661 490 H GLU 74 H GLU 74 -4.476 8.860 -17.178 491 HA GLU 74 HA GLU 74 -5.078 7.598 -19.604 492 HB2 GLU 74 2HB GLU 74 -3.015 9.156 -18.649 493 HB3 GLU 74 3HB GLU 74 -2.232 7.604 -18.918 494 HG2 GLU 74 2HG GLU 74 -1.936 8.669 -20.936 495 HG3 GLU 74 3HG GLU 74 -3.374 7.693 -21.232 496 H ALA 75 H ALA 75 -3.676 6.379 -16.638 497 HA ALA 75 HA ALA 75 -2.631 3.959 -17.598 498 HB1 ALA 75 1HB ALA 75 -2.752 3.191 -15.273 499 HB2 ALA 75 2HB ALA 75 -2.092 4.823 -15.390 500 HB3 ALA 75 3HB ALA 75 -3.760 4.582 -14.871 501 H GLU 76 H GLU 76 -5.811 4.666 -16.155 502 HA GLU 76 HA GLU 76 -6.825 2.042 -16.484 503 HB2 GLU 76 2HB GLU 76 -8.311 4.660 -16.196 504 HB3 GLU 76 3HB GLU 76 -9.026 3.062 -16.031 505 HG2 GLU 76 2HG GLU 76 -6.897 4.254 -14.269 506 HG3 GLU 76 3HG GLU 76 -8.598 4.036 -13.860 507 H ALA 77 H ALA 77 -7.007 4.968 -18.454 508 HA ALA 77 HA ALA 77 -8.854 4.109 -20.357 509 HB1 ALA 77 1HB ALA 77 -6.487 5.910 -20.845 510 HB2 ALA 77 2HB ALA 77 -7.971 5.829 -21.795 511 HB3 ALA 77 3HB ALA 77 -8.017 6.426 -20.136 512 H PHE 78 H PHE 78 -5.304 3.847 -20.398 513 HA PHE 78 HA PHE 78 -5.187 2.451 -22.863 514 HB2 PHE 78 2HB PHE 78 -3.284 3.093 -20.673 515 HB3 PHE 78 3HB PHE 78 -2.862 1.747 -21.726 516 HD1 PHE 78 HD1 PHE 78 -1.692 2.177 -23.658 517 HD2 PHE 78 HD2 PHE 78 -4.015 5.286 -21.910 518 HE1 PHE 78 HE1 PHE 78 -0.830 3.758 -25.334 519 HE2 PHE 78 HE2 PHE 78 -3.157 6.872 -23.584 520 HZ PHE 78 HZ PHE 78 -1.563 6.109 -25.299 521 H GLN 79 H GLN 79 -5.293 1.418 -19.491 522 HA GLN 79 HA GLN 79 -4.744 -1.286 -19.812 523 HB2 GLN 79 2HB GLN 79 -5.791 0.409 -17.757 524 HB3 GLN 79 3HB GLN 79 -6.762 -1.055 -17.835 525 HG2 GLN 79 2HG GLN 79 -4.946 -2.431 -17.346 526 HG3 GLN 79 3HG GLN 79 -3.773 -1.179 -17.751 527 HE21 GLN 79 1HE2 GLN 79 -3.699 0.704 -16.327 528 HE22 GLN 79 2HE2 GLN 79 -4.015 0.485 -14.643 529 H LYS 80 H LYS 80 -7.866 0.398 -19.980 530 HA LYS 80 HA LYS 80 -9.486 -1.840 -20.392 531 HB2 LYS 80 2HB LYS 80 -10.243 0.513 -19.890 532 HB3 LYS 80 3HB LYS 80 -9.941 0.899 -21.579 533 HG2 LYS 80 2HG LYS 80 -11.529 -1.074 -22.077 534 HG3 LYS 80 3HG LYS 80 -12.034 -0.878 -20.396 535 HD2 LYS 80 2HD LYS 80 -13.395 0.756 -21.043 536 HD3 LYS 80 3HD LYS 80 -11.983 1.702 -21.518 537 HE2 LYS 80 2HE LYS 80 -12.042 0.629 -23.734 538 HE3 LYS 80 3HE LYS 80 -13.488 -0.256 -23.251 539 HZ1 LYS 80 1HZ LYS 80 -14.169 2.288 -22.709 540 HZ2 LYS 80 2HZ LYS 80 -14.557 1.476 -24.141 541 HZ3 LYS 80 3HZ LYS 80 -13.205 2.491 -24.085 542 H ALA 81 H ALA 81 -8.570 0.497 -22.926 543 HA ALA 81 HA ALA 81 -8.364 -1.766 -24.804 544 HB1 ALA 81 1HB ALA 81 -9.124 0.767 -26.032 545 HB2 ALA 81 2HB ALA 81 -9.807 -0.847 -26.241 546 HB3 ALA 81 3HB ALA 81 -10.318 0.158 -24.885 547 HA PRO 82 HA PRO 82 -4.424 -0.273 -26.030 548 HB2 PRO 82 2HB PRO 82 -4.435 -0.726 -28.707 549 HB3 PRO 82 3HB PRO 82 -4.328 -2.025 -27.514 550 HG2 PRO 82 2HG PRO 82 -6.712 -1.041 -29.033 551 HG3 PRO 82 3HG PRO 82 -6.215 -2.708 -28.688 552 HD2 PRO 82 2HD PRO 82 -8.149 -1.442 -27.278 553 HD3 PRO 82 3HD PRO 82 -7.076 -2.654 -26.550 554 HA PRO 83 HA PRO 83 -4.509 3.851 -27.551 555 HB2 PRO 83 2HB PRO 83 -2.189 4.024 -28.951 556 HB3 PRO 83 3HB PRO 83 -2.242 3.941 -27.186 557 HG2 PRO 83 2HG PRO 83 -1.703 1.764 -29.168 558 HG3 PRO 83 3HG PRO 83 -0.881 2.111 -27.636 559 HD2 PRO 83 2HD PRO 83 -2.748 0.165 -27.879 560 HD3 PRO 83 3HD PRO 83 -2.519 1.087 -26.380 561 H MET 84 H MET 84 -3.906 1.339 -29.949 562 HA MET 84 HA MET 84 -4.532 1.109 -32.123 563 HB2 MET 84 2HB MET 84 -6.652 2.540 -30.833 564 HB3 MET 84 3HB MET 84 -6.469 3.148 -32.473 565 HG2 MET 84 2HG MET 84 -6.349 0.287 -32.475 566 HG3 MET 84 3HG MET 84 -7.796 0.832 -31.631 567 HE1 MET 84 1HE MET 84 -7.983 -0.630 -35.109 568 HE2 MET 84 2HE MET 84 -8.472 -0.801 -33.424 569 HE3 MET 84 3HE MET 84 -9.569 -0.060 -34.589 570 H TYR 85 H TYR 85 -2.666 1.790 -33.119 571 HA TYR 85 HA TYR 85 -2.624 4.604 -33.996 572 HB2 TYR 85 2HB TYR 85 -0.672 3.215 -32.554 573 HB3 TYR 85 3HB TYR 85 -0.054 3.278 -34.201 574 HD1 TYR 85 HD1 TYR 85 0.519 4.780 -31.326 575 HD2 TYR 85 HD2 TYR 85 -0.969 5.867 -35.161 576 HE1 TYR 85 HE1 TYR 85 1.264 7.094 -30.952 577 HE2 TYR 85 HE2 TYR 85 -0.227 8.184 -34.798 578 HH TYR 85 HH TYR 85 1.782 9.073 -32.121 579 H ASP 86 H ASP 86 -2.778 4.942 -36.110 580 HA ASP 86 HA ASP 86 -3.285 2.969 -37.979 581 HB2 ASP 86 2HB ASP 86 -3.167 5.759 -37.976 582 HB3 ASP 86 3HB ASP 86 -2.007 5.268 -39.207 583 H ASP 87 H ASP 87 -0.217 4.596 -37.262 584 HA ASP 87 HA ASP 87 1.370 3.526 -39.252 585 HB2 ASP 87 2HB ASP 87 2.116 4.116 -36.379 586 HB3 ASP 87 3HB ASP 87 3.271 3.841 -37.681 587 H VAL 88 H VAL 88 1.231 2.252 -35.920 588 HA VAL 88 HA VAL 88 1.533 -0.456 -37.036 589 HB VAL 88 HB VAL 88 2.923 0.560 -34.553 590 HG11 VAL 88 1HG1 VAL 88 2.208 -2.042 -35.312 591 HG12 VAL 88 2HG1 VAL 88 3.938 -1.901 -35.630 592 HG13 VAL 88 3HG1 VAL 88 3.306 -1.562 -34.019 593 HG21 VAL 88 1HG2 VAL 88 4.977 -0.008 -36.029 594 HG22 VAL 88 2HG2 VAL 88 3.850 0.175 -37.373 595 HG23 VAL 88 3HG2 VAL 88 4.139 1.524 -36.275 596 H GLN 89 H GLN 89 0.116 -1.902 -36.286 597 HA GLN 89 HA GLN 89 -2.006 -1.136 -34.596 598 HB2 GLN 89 2HB GLN 89 -1.587 -3.173 -36.363 599 HB3 GLN 89 3HB GLN 89 -1.498 -4.025 -34.827 600 HG2 GLN 89 2HG GLN 89 -3.690 -3.347 -34.227 601 HG3 GLN 89 3HG GLN 89 -3.775 -2.213 -35.573 602 HE21 GLN 89 1HE2 GLN 89 -5.111 -2.902 -37.068 603 HE22 GLN 89 2HE2 GLN 89 -5.304 -4.535 -37.596 604 H LEU 90 H LEU 90 -2.036 -0.945 -32.464 605 HA LEU 90 HA LEU 90 0.027 -2.297 -30.883 606 HB2 LEU 90 2HB LEU 90 -1.285 0.259 -30.755 607 HB3 LEU 90 3HB LEU 90 -1.481 -0.605 -29.232 608 HG LEU 90 HG LEU 90 0.442 0.849 -29.114 609 HD11 LEU 90 1HD1 LEU 90 2.120 -0.750 -28.442 610 HD12 LEU 90 2HD1 LEU 90 1.331 -2.020 -29.377 611 HD13 LEU 90 3HD1 LEU 90 0.524 -1.332 -27.967 612 HD21 LEU 90 1HD2 LEU 90 1.485 -0.675 -31.500 613 HD22 LEU 90 2HD2 LEU 90 2.373 0.540 -30.581 614 HD23 LEU 90 3HD2 LEU 90 0.938 1.001 -31.498 615 H THR 91 H THR 91 -0.430 -3.833 -29.416 616 HA THR 91 HA THR 91 -3.267 -4.401 -28.854 617 HB THR 91 HB THR 91 -1.407 -6.697 -28.795 618 HG1 THR 91 HG1 THR 91 -1.517 -6.916 -31.086 619 HG21 THR 91 1HG2 THR 91 -3.739 -7.048 -28.336 620 HG22 THR 91 2HG2 THR 91 -3.372 -7.778 -29.899 621 HG23 THR 91 3HG2 THR 91 -4.204 -6.225 -29.824 622 H ALA 92 H ALA 92 -3.490 -3.728 -26.800 623 HA ALA 92 HA ALA 92 -1.461 -4.558 -24.835 624 HB1 ALA 92 1HB ALA 92 -1.691 -2.590 -23.795 625 HB2 ALA 92 2HB ALA 92 -2.462 -2.056 -25.288 626 HB3 ALA 92 3HB ALA 92 -3.449 -2.613 -23.937 627 H GLU 93 H GLU 93 -2.060 -5.622 -22.965 628 HA GLU 93 HA GLU 93 -4.816 -6.664 -22.937 629 HB2 GLU 93 2HB GLU 93 -2.178 -7.939 -22.398 630 HB3 GLU 93 3HB GLU 93 -3.560 -8.487 -21.459 631 HG2 GLU 93 2HG GLU 93 -3.792 -8.311 -24.423 632 HG3 GLU 93 3HG GLU 93 -2.917 -9.659 -23.698 633 H MET 94 H MET 94 -5.547 -7.366 -20.715 634 HA MET 94 HA MET 94 -4.859 -5.248 -18.804 635 HB2 MET 94 2HB MET 94 -7.294 -5.934 -19.704 636 HB3 MET 94 3HB MET 94 -7.191 -7.020 -18.325 637 HG2 MET 94 2HG MET 94 -6.708 -5.084 -16.877 638 HG3 MET 94 3HG MET 94 -6.920 -4.025 -18.270 639 HE1 MET 94 1HE MET 94 -10.031 -3.193 -16.220 640 HE2 MET 94 2HE MET 94 -8.288 -2.953 -16.348 641 HE3 MET 94 3HE MET 94 -9.335 -2.560 -17.712 642 H LYS 95 H LYS 95 -4.644 -5.758 -16.553 643 HA LYS 95 HA LYS 95 -3.001 -8.002 -16.063 644 HB2 LYS 95 2HB LYS 95 -3.126 -7.313 -13.694 645 HB3 LYS 95 3HB LYS 95 -2.763 -5.965 -14.765 646 HG2 LYS 95 2HG LYS 95 -5.198 -5.374 -14.690 647 HG3 LYS 95 3HG LYS 95 -5.382 -6.594 -13.428 648 HD2 LYS 95 2HD LYS 95 -3.708 -5.407 -12.067 649 HD3 LYS 95 3HD LYS 95 -3.581 -4.173 -13.322 650 HE2 LYS 95 2HE LYS 95 -5.527 -3.197 -12.736 651 HE3 LYS 95 3HE LYS 95 -6.312 -4.736 -12.386 652 HZ1 LYS 95 1HZ LYS 95 -5.669 -3.013 -10.504 653 HZ2 LYS 95 2HZ LYS 95 -4.214 -3.873 -10.554 654 HZ3 LYS 95 3HZ LYS 95 -5.664 -4.683 -10.234 655 H THR 96 H THR 96 -6.418 -7.378 -15.534 656 HA THR 96 HA THR 96 -7.018 -9.544 -13.870 657 HB THR 96 HB THR 96 -9.180 -9.093 -15.712 658 HG1 THR 96 HG1 THR 96 -8.249 -6.700 -14.509 659 HG21 THR 96 1HG2 THR 96 -8.956 -9.607 -13.102 660 HG22 THR 96 2HG2 THR 96 -10.383 -8.835 -13.794 661 HG23 THR 96 3HG2 THR 96 -9.140 -7.855 -13.016 662 H THR 97 H THR 97 -7.083 -9.305 -17.416 663 HA THR 97 HA THR 97 -8.035 -11.837 -18.013 664 HB THR 97 HB THR 97 -5.859 -10.585 -19.664 665 HG1 THR 97 HG1 THR 97 -8.575 -9.737 -19.468 666 HG21 THR 97 1HG2 THR 97 -6.531 -12.445 -20.802 667 HG22 THR 97 2HG2 THR 97 -7.749 -11.317 -21.396 668 HG23 THR 97 3HG2 THR 97 -8.143 -12.433 -20.089 669 H TYR 98 H TYR 98 -4.609 -10.844 -17.871 670 HA TYR 98 HA TYR 98 -3.472 -13.342 -18.235 671 HB2 TYR 98 2HB TYR 98 -2.588 -10.779 -17.046 672 HB3 TYR 98 3HB TYR 98 -1.657 -12.201 -16.590 673 HD1 TYR 98 HD1 TYR 98 -1.191 -13.798 -18.764 674 HD2 TYR 98 HD2 TYR 98 -1.734 -9.578 -18.809 675 HE1 TYR 98 HE1 TYR 98 0.054 -13.666 -20.881 676 HE2 TYR 98 HE2 TYR 98 -0.491 -9.435 -20.927 677 HH TYR 98 HH TYR 98 1.057 -10.648 -22.238 678 H LEU 99 H LEU 99 -4.343 -11.743 -15.181 679 HA LEU 99 HA LEU 99 -3.456 -13.649 -13.393 680 HB2 LEU 99 2HB LEU 99 -4.441 -11.399 -12.874 681 HB3 LEU 99 3HB LEU 99 -6.033 -12.114 -13.120 682 HG LEU 99 HG LEU 99 -5.042 -13.806 -11.272 683 HD11 LEU 99 1HD1 LEU 99 -3.302 -13.023 -10.146 684 HD12 LEU 99 2HD1 LEU 99 -4.148 -11.509 -9.827 685 HD13 LEU 99 3HD1 LEU 99 -3.186 -11.689 -11.294 686 HD21 LEU 99 1HD2 LEU 99 -6.306 -11.156 -10.595 687 HD22 LEU 99 2HD2 LEU 99 -6.416 -12.662 -9.683 688 HD23 LEU 99 3HD2 LEU 99 -7.185 -12.530 -11.266 689 H GLU 100 H GLU 100 -6.568 -13.513 -15.092 690 HA GLU 100 HA GLU 100 -7.684 -15.806 -13.888 691 HB2 GLU 100 2HB GLU 100 -8.621 -13.878 -15.564 692 HB3 GLU 100 3HB GLU 100 -8.482 -15.238 -16.669 693 HG2 GLU 100 2HG GLU 100 -9.819 -16.582 -15.027 694 HG3 GLU 100 3HG GLU 100 -10.104 -15.082 -14.145 695 H ARG 101 H ARG 101 -5.815 -15.353 -16.859 696 HA ARG 101 HA ARG 101 -6.025 -17.911 -17.920 697 HB2 ARG 101 2HB ARG 101 -4.422 -15.586 -18.366 698 HB3 ARG 101 3HB ARG 101 -3.374 -16.998 -18.374 699 HG2 ARG 101 2HG ARG 101 -4.034 -17.512 -20.420 700 HG3 ARG 101 3HG ARG 101 -5.716 -17.578 -19.892 701 HD2 ARG 101 2HD ARG 101 -5.878 -15.917 -21.444 702 HD3 ARG 101 3HD ARG 101 -5.482 -14.948 -20.025 703 HE ARG 101 HE ARG 101 -3.548 -14.350 -21.064 704 HH11 ARG 101 1HH1 ARG 101 -4.658 -17.345 -22.449 705 HH12 ARG 101 2HH1 ARG 101 -3.407 -17.406 -23.646 706 HH21 ARG 101 1HH2 ARG 101 -1.896 -14.419 -22.635 707 HH22 ARG 101 2HH2 ARG 101 -1.836 -15.742 -23.750 708 H LYS 102 H LYS 102 -3.378 -16.653 -15.882 709 HA LYS 102 HA LYS 102 -2.062 -19.099 -15.539 710 HB2 LYS 102 2HB LYS 102 -0.997 -18.018 -13.571 711 HB3 LYS 102 3HB LYS 102 -0.954 -17.020 -15.019 712 HG2 LYS 102 2HG LYS 102 -2.914 -15.773 -14.160 713 HG3 LYS 102 3HG LYS 102 -2.813 -16.716 -12.671 714 HD2 LYS 102 2HD LYS 102 -0.602 -14.981 -13.770 715 HD3 LYS 102 3HD LYS 102 -1.724 -14.499 -12.494 716 HE2 LYS 102 2HE LYS 102 -0.797 -16.899 -11.570 717 HE3 LYS 102 3HE LYS 102 0.624 -16.248 -12.385 718 HZ1 LYS 102 1HZ LYS 102 -0.812 -14.390 -10.680 719 HZ2 LYS 102 2HZ LYS 102 0.852 -14.619 -10.872 720 HZ3 LYS 102 3HZ LYS 102 -0.035 -15.660 -9.877 721 H ALA 103 H ALA 103 -4.621 -17.561 -13.649 722 HA ALA 103 HA ALA 103 -4.678 -19.247 -11.450 723 HB1 ALA 103 1HB ALA 103 -7.079 -18.020 -12.798 724 HB2 ALA 103 2HB ALA 103 -6.956 -18.537 -11.116 725 HB3 ALA 103 3HB ALA 103 -6.001 -17.170 -11.691 726 H GLU 104 H GLU 104 -6.333 -19.613 -14.573 727 HA GLU 104 HA GLU 104 -7.581 -22.079 -13.880 728 HB2 GLU 104 2HB GLU 104 -7.956 -20.269 -15.868 729 HB3 GLU 104 3HB GLU 104 -7.089 -21.526 -16.738 730 HG2 GLU 104 2HG GLU 104 -8.780 -23.158 -15.829 731 HG3 GLU 104 3HG GLU 104 -9.701 -21.760 -15.276 732 H GLU 105 H GLU 105 -4.578 -21.193 -15.480 733 HA GLU 105 HA GLU 105 -3.865 -23.685 -16.517 734 HB2 GLU 105 2HB GLU 105 -2.638 -21.723 -17.158 735 HB3 GLU 105 3HB GLU 105 -2.158 -21.415 -15.496 736 HG2 GLU 105 2HG GLU 105 -0.678 -23.248 -15.476 737 HG3 GLU 105 3HG GLU 105 -1.345 -23.897 -16.973 738 H ILE 106 H ILE 106 -2.616 -22.218 -13.512 739 HA ILE 106 HA ILE 106 -1.420 -24.559 -12.539 740 HB ILE 106 HB ILE 106 -0.887 -22.311 -11.684 741 HG12 ILE 106 2HG1 ILE 106 -1.781 -23.549 -9.188 742 HG13 ILE 106 3HG1 ILE 106 -0.992 -24.685 -10.276 743 HG21 ILE 106 1HG2 ILE 106 -2.325 -21.002 -10.454 744 HG22 ILE 106 2HG2 ILE 106 -3.433 -21.737 -11.611 745 HG23 ILE 106 3HG2 ILE 106 -3.326 -22.370 -9.968 746 HD11 ILE 106 1HD1 ILE 106 0.892 -23.008 -10.434 747 HD12 ILE 106 2HD1 ILE 106 0.130 -22.179 -9.076 748 HD13 ILE 106 3HD1 ILE 106 0.697 -23.838 -8.891 749 H ALA 107 H ALA 107 -4.689 -23.333 -12.267 750 HA ALA 107 HA ALA 107 -5.630 -24.909 -10.166 751 HB1 ALA 107 1HB ALA 107 -7.006 -23.748 -12.572 752 HB2 ALA 107 2HB ALA 107 -7.875 -24.642 -11.324 753 HB3 ALA 107 3HB ALA 107 -7.016 -23.159 -10.909 754 H ALA 108 H ALA 108 -5.523 -25.594 -13.649 755 HA ALA 108 HA ALA 108 -6.750 -28.144 -13.464 756 HB1 ALA 108 1HB ALA 108 -6.852 -27.204 -15.582 757 HB2 ALA 108 2HB ALA 108 -5.148 -26.750 -15.573 758 HB3 ALA 108 3HB ALA 108 -5.608 -28.442 -15.761 759 H LYS 109 H LYS 109 -3.389 -27.060 -13.450 760 HA LYS 109 HA LYS 109 -2.159 -29.574 -13.618 761 HB2 LYS 109 2HB LYS 109 -1.212 -27.041 -12.266 762 HB3 LYS 109 3HB LYS 109 -0.197 -28.444 -12.575 763 HG2 LYS 109 2HG LYS 109 -1.479 -27.671 -15.004 764 HG3 LYS 109 3HG LYS 109 -0.713 -26.259 -14.271 765 HD2 LYS 109 2HD LYS 109 0.825 -28.805 -14.377 766 HD3 LYS 109 3HD LYS 109 0.621 -27.888 -15.872 767 HE2 LYS 109 2HE LYS 109 1.382 -26.248 -13.575 768 HE3 LYS 109 3HE LYS 109 2.577 -27.474 -13.995 769 HZ1 LYS 109 1HZ LYS 109 3.122 -25.578 -15.241 770 HZ2 LYS 109 2HZ LYS 109 1.520 -25.302 -15.707 771 HZ3 LYS 109 3HZ LYS 109 2.370 -26.620 -16.341 772 H LYS 110 H LYS 110 -2.822 -27.595 -10.724 773 HA LYS 110 HA LYS 110 -2.182 -29.783 -8.962 774 HB2 LYS 110 2HB LYS 110 -3.144 -26.965 -8.574 775 HB3 LYS 110 3HB LYS 110 -3.161 -28.103 -7.232 776 HG2 LYS 110 2HG LYS 110 -0.810 -28.356 -7.297 777 HG3 LYS 110 3HG LYS 110 -0.694 -27.522 -8.848 778 HD2 LYS 110 2HD LYS 110 -1.407 -25.443 -7.808 779 HD3 LYS 110 3HD LYS 110 -1.605 -26.266 -6.259 780 HE2 LYS 110 2HE LYS 110 1.034 -26.646 -7.444 781 HE3 LYS 110 3HE LYS 110 0.656 -24.956 -7.112 782 HZ1 LYS 110 1HZ LYS 110 -0.116 -25.963 -4.837 783 HZ2 LYS 110 2HZ LYS 110 1.511 -25.594 -5.115 784 HZ3 LYS 110 3HZ LYS 110 0.973 -27.192 -5.246 Start of MODEL 3 1 H1 THR 12 H THR 12 0.951 1.174 0.580 2 HA THR 12 HA THR 12 2.133 1.451 -1.346 3 HB THR 12 HB THR 12 2.773 -1.421 -1.652 4 HG1 THR 12 HG1 THR 12 3.174 -1.668 0.409 5 HG21 THR 12 1HG2 THR 12 3.969 0.237 -2.939 6 HG22 THR 12 2HG2 THR 12 5.073 -0.486 -1.768 7 HG23 THR 12 3HG2 THR 12 4.399 1.117 -1.473 8 H ASP 13 H ASP 13 1.829 1.429 -3.546 9 HA ASP 13 HA ASP 13 -0.147 -0.472 -4.609 10 HB2 ASP 13 2HB ASP 13 -1.151 1.360 -5.933 11 HB3 ASP 13 3HB ASP 13 -1.314 1.625 -4.199 12 H HIS 14 H HIS 14 0.379 -1.374 -6.508 13 HA HIS 14 HA HIS 14 2.537 -0.148 -8.088 14 HB2 HIS 14 2HB HIS 14 3.492 -2.361 -8.507 15 HB3 HIS 14 3HB HIS 14 3.466 -2.014 -6.780 16 HD1 HIS 14 HD1 HIS 14 1.607 -3.282 -5.370 17 HD2 HIS 14 HD2 HIS 14 2.118 -4.613 -9.272 18 HE1 HIS 14 HE1 HIS 14 0.480 -5.528 -5.467 19 H GLN 15 H GLN 15 2.125 0.018 -10.204 20 HA GLN 15 HA GLN 15 -0.093 -1.568 -11.314 21 HB2 GLN 15 2HB GLN 15 -0.798 0.327 -12.630 22 HB3 GLN 15 3HB GLN 15 -0.734 0.801 -10.937 23 HG2 GLN 15 2HG GLN 15 1.751 1.491 -11.756 24 HG3 GLN 15 3HG GLN 15 0.822 1.758 -13.230 25 HE21 GLN 15 1HE2 GLN 15 0.622 2.384 -9.743 26 HE22 GLN 15 2HE2 GLN 15 -0.027 3.978 -9.893 27 H THR 16 H THR 16 0.333 -2.650 -13.135 28 HA THR 16 HA THR 16 2.519 -1.797 -14.868 29 HB THR 16 HB THR 16 2.463 -4.695 -14.136 30 HG1 THR 16 HG1 THR 16 3.992 -4.214 -12.462 31 HG21 THR 16 1HG2 THR 16 4.078 -2.948 -15.714 32 HG22 THR 16 2HG2 THR 16 4.217 -4.695 -15.508 33 HG23 THR 16 3HG2 THR 16 5.064 -3.607 -14.409 34 H VAL 17 H VAL 17 2.005 -2.037 -16.951 35 HA VAL 17 HA VAL 17 -0.331 -3.703 -17.609 36 HB VAL 17 HB VAL 17 0.816 -1.444 -19.251 37 HG11 VAL 17 1HG1 VAL 17 -0.412 -2.695 -20.738 38 HG12 VAL 17 2HG1 VAL 17 -1.547 -3.247 -19.504 39 HG13 VAL 17 3HG1 VAL 17 -1.649 -1.598 -20.123 40 HG21 VAL 17 1HG2 VAL 17 0.036 -0.497 -17.196 41 HG22 VAL 17 2HG2 VAL 17 -1.167 -0.160 -18.441 42 HG23 VAL 17 3HG2 VAL 17 -1.451 -1.443 -17.264 43 H TYR 18 H TYR 18 -0.288 -5.057 -19.416 44 HA TYR 18 HA TYR 18 2.419 -5.729 -20.361 45 HB2 TYR 18 2HB TYR 18 0.019 -7.557 -20.402 46 HB3 TYR 18 3HB TYR 18 1.711 -7.991 -20.619 47 HD1 TYR 18 HD1 TYR 18 3.162 -8.315 -18.732 48 HD2 TYR 18 HD2 TYR 18 -0.847 -7.007 -18.164 49 HE1 TYR 18 HE1 TYR 18 3.353 -8.792 -16.326 50 HE2 TYR 18 HE2 TYR 18 -0.667 -7.479 -15.757 51 HH TYR 18 HH TYR 18 0.751 -7.981 -14.081 52 H VAL 19 H VAL 19 2.872 -5.448 -22.442 53 HA VAL 19 HA VAL 19 0.649 -5.307 -24.369 54 HB VAL 19 HB VAL 19 3.100 -3.546 -24.464 55 HG11 VAL 19 1HG1 VAL 19 0.669 -3.865 -26.174 56 HG12 VAL 19 2HG1 VAL 19 1.485 -2.303 -26.079 57 HG13 VAL 19 3HG1 VAL 19 2.362 -3.725 -26.647 58 HG21 VAL 19 1HG2 VAL 19 2.080 -2.428 -22.802 59 HG22 VAL 19 2HG2 VAL 19 1.012 -1.853 -24.082 60 HG23 VAL 19 3HG2 VAL 19 0.530 -3.222 -23.080 61 H LYS 20 H LYS 20 1.086 -6.041 -26.462 62 HA LYS 20 HA LYS 20 2.698 -8.262 -26.736 63 HB2 LYS 20 2HB LYS 20 2.499 -7.786 -29.247 64 HB3 LYS 20 3HB LYS 20 1.006 -7.994 -28.342 65 HG2 LYS 20 2HG LYS 20 0.315 -5.924 -28.793 66 HG3 LYS 20 3HG LYS 20 1.899 -5.224 -28.451 67 HD2 LYS 20 2HD LYS 20 1.927 -6.785 -30.889 68 HD3 LYS 20 3HD LYS 20 0.704 -5.513 -30.946 69 HE2 LYS 20 2HE LYS 20 2.253 -3.829 -30.795 70 HE3 LYS 20 3HE LYS 20 3.420 -4.833 -29.936 71 HZ1 LYS 20 1HZ LYS 20 3.576 -6.099 -32.139 72 HZ2 LYS 20 2HZ LYS 20 4.337 -4.592 -32.034 73 HZ3 LYS 20 3HZ LYS 20 2.851 -4.735 -32.829 74 HA PRO 21 HA PRO 21 6.826 -6.913 -27.365 75 HB2 PRO 21 2HB PRO 21 7.719 -8.703 -29.200 76 HB3 PRO 21 3HB PRO 21 7.413 -9.129 -27.512 77 HG2 PRO 21 2HG PRO 21 5.685 -9.562 -29.918 78 HG3 PRO 21 3HG PRO 21 6.031 -10.667 -28.576 79 HD2 PRO 21 2HD PRO 21 3.738 -9.236 -28.730 80 HD3 PRO 21 3HD PRO 21 4.500 -9.656 -27.182 81 H VAL 22 H VAL 22 8.407 -6.208 -29.041 82 HA VAL 22 HA VAL 22 6.997 -4.923 -31.283 83 HB VAL 22 HB VAL 22 9.027 -3.387 -31.309 84 HG11 VAL 22 1HG1 VAL 22 8.096 -2.467 -28.888 85 HG12 VAL 22 2HG1 VAL 22 7.384 -2.129 -30.467 86 HG13 VAL 22 3HG1 VAL 22 6.761 -3.453 -29.482 87 HG21 VAL 22 1HG2 VAL 22 10.388 -3.245 -29.349 88 HG22 VAL 22 2HG2 VAL 22 9.432 -4.479 -28.528 89 HG23 VAL 22 3HG2 VAL 22 10.432 -4.915 -29.913 90 HA PRO 23 HA PRO 23 9.346 -7.138 -34.257 91 HB2 PRO 23 2HB PRO 23 9.642 -5.270 -36.205 92 HB3 PRO 23 3HB PRO 23 8.102 -6.068 -35.865 93 HG2 PRO 23 2HG PRO 23 9.067 -3.369 -35.003 94 HG3 PRO 23 3HG PRO 23 7.471 -3.845 -35.611 95 HD2 PRO 23 2HD PRO 23 7.979 -3.493 -32.975 96 HD3 PRO 23 3HD PRO 23 6.803 -4.682 -33.570 97 HA PRO 24 HA PRO 24 13.660 -6.338 -33.966 98 HB2 PRO 24 2HB PRO 24 14.576 -7.082 -36.411 99 HB3 PRO 24 3HB PRO 24 14.009 -8.242 -35.204 100 HG2 PRO 24 2HG PRO 24 12.568 -7.122 -37.577 101 HG3 PRO 24 3HG PRO 24 12.613 -8.791 -36.980 102 HD2 PRO 24 2HD PRO 24 10.533 -7.127 -36.496 103 HD3 PRO 24 3HD PRO 24 11.037 -8.383 -35.348 104 H THR 25 H THR 25 11.822 -4.737 -36.413 105 HA THR 25 HA THR 25 13.976 -3.008 -37.266 106 HB THR 25 HB THR 25 11.477 -1.917 -38.045 107 HG1 THR 25 HG1 THR 25 10.575 -3.791 -39.066 108 HG21 THR 25 1HG2 THR 25 13.825 -3.208 -39.301 109 HG22 THR 25 2HG2 THR 25 13.064 -1.655 -39.647 110 HG23 THR 25 3HG2 THR 25 12.352 -3.144 -40.268 111 H ALA 26 H ALA 26 11.002 -2.692 -35.352 112 HA ALA 26 HA ALA 26 11.168 0.040 -34.806 113 HB1 ALA 26 1HB ALA 26 9.881 -0.668 -32.664 114 HB2 ALA 26 2HB ALA 26 9.136 -0.905 -34.245 115 HB3 ALA 26 3HB ALA 26 9.880 -2.267 -33.408 116 H THR 27 H THR 27 12.892 1.034 -33.986 117 HA THR 27 HA THR 27 14.655 -0.301 -32.117 118 HB THR 27 HB THR 27 16.088 1.617 -32.301 119 HG1 THR 27 HG1 THR 27 14.276 2.980 -33.966 120 HG21 THR 27 1HG2 THR 27 16.545 1.640 -34.654 121 HG22 THR 27 2HG2 THR 27 14.891 1.161 -35.033 122 HG23 THR 27 3HG2 THR 27 15.977 0.025 -34.232 123 H LEU 28 H LEU 28 15.483 1.247 -30.267 124 HA LEU 28 HA LEU 28 13.298 1.550 -28.465 125 HB2 LEU 28 2HB LEU 28 15.962 1.138 -28.178 126 HB3 LEU 28 3HB LEU 28 15.845 2.850 -27.776 127 HG LEU 28 HG LEU 28 13.939 1.033 -26.422 128 HD11 LEU 28 1HD1 LEU 28 16.890 1.064 -25.816 129 HD12 LEU 28 2HD1 LEU 28 15.912 -0.325 -26.287 130 HD13 LEU 28 3HD1 LEU 28 15.649 0.448 -24.724 131 HD21 LEU 28 1HD2 LEU 28 15.115 3.654 -26.083 132 HD22 LEU 28 2HD2 LEU 28 15.245 2.686 -24.614 133 HD23 LEU 28 3HD2 LEU 28 13.666 2.964 -25.351 134 H GLU 29 H GLU 29 15.417 3.828 -30.164 135 HA GLU 29 HA GLU 29 14.401 6.184 -29.029 136 HB2 GLU 29 2HB GLU 29 16.490 5.818 -30.514 137 HB3 GLU 29 3HB GLU 29 15.385 6.038 -31.864 138 HG2 GLU 29 2HG GLU 29 15.783 8.208 -31.682 139 HG3 GLU 29 3HG GLU 29 14.817 8.170 -30.209 140 H GLN 30 H GLN 30 13.392 4.328 -31.859 141 HA GLN 30 HA GLN 30 11.459 6.178 -32.781 142 HB2 GLN 30 2HB GLN 30 12.463 4.280 -34.103 143 HB3 GLN 30 3HB GLN 30 11.428 3.187 -33.194 144 HG2 GLN 30 2HG GLN 30 10.099 3.488 -34.993 145 HG3 GLN 30 3HG GLN 30 9.561 4.870 -34.040 146 HE21 GLN 30 1HE2 GLN 30 9.215 4.807 -36.756 147 HE22 GLN 30 2HE2 GLN 30 10.242 5.979 -37.500 148 H LEU 31 H LEU 31 11.208 3.276 -30.748 149 HA LEU 31 HA LEU 31 8.437 3.289 -30.404 150 HB2 LEU 31 2HB LEU 31 10.752 2.134 -28.981 151 HB3 LEU 31 3HB LEU 31 9.258 2.270 -28.056 152 HG LEU 31 HG LEU 31 9.416 0.874 -30.719 153 HD11 LEU 31 1HD1 LEU 31 10.831 -0.002 -28.634 154 HD12 LEU 31 2HD1 LEU 31 10.010 -1.087 -29.756 155 HD13 LEU 31 3HD1 LEU 31 9.261 -0.686 -28.211 156 HD21 LEU 31 1HD2 LEU 31 7.194 1.600 -30.015 157 HD22 LEU 31 2HD2 LEU 31 7.405 0.772 -28.472 158 HD23 LEU 31 3HD2 LEU 31 7.333 -0.158 -29.970 159 H THR 32 H THR 32 10.952 4.646 -28.272 160 HA THR 32 HA THR 32 9.246 5.789 -26.386 161 HB THR 32 HB THR 32 11.967 6.779 -27.260 162 HG1 THR 32 HG1 THR 32 12.757 5.279 -25.950 163 HG21 THR 32 1HG2 THR 32 10.206 7.448 -24.923 164 HG22 THR 32 2HG2 THR 32 11.066 8.537 -26.012 165 HG23 THR 32 3HG2 THR 32 11.959 7.600 -24.815 166 H GLU 33 H GLU 33 10.633 7.198 -29.338 167 HA GLU 33 HA GLU 33 9.695 9.790 -29.083 168 HB2 GLU 33 2HB GLU 33 11.242 9.122 -30.844 169 HB3 GLU 33 3HB GLU 33 9.994 8.141 -31.598 170 HG2 GLU 33 2HG GLU 33 8.997 9.907 -32.566 171 HG3 GLU 33 3HG GLU 33 9.312 10.973 -31.198 172 H PHE 34 H PHE 34 8.110 7.125 -30.848 173 HA PHE 34 HA PHE 34 5.759 8.461 -31.487 174 HB2 PHE 34 2HB PHE 34 6.614 5.643 -31.308 175 HB3 PHE 34 3HB PHE 34 4.878 5.905 -31.178 176 HD1 PHE 34 HD1 PHE 34 7.713 7.149 -33.266 177 HD2 PHE 34 HD2 PHE 34 3.693 5.758 -33.128 178 HE1 PHE 34 HE1 PHE 34 7.565 7.344 -35.714 179 HE2 PHE 34 HE2 PHE 34 3.539 5.950 -35.575 180 HZ PHE 34 HZ PHE 34 5.476 6.743 -36.872 181 H PHE 35 H PHE 35 6.559 6.561 -28.606 182 HA PHE 35 HA PHE 35 4.089 6.546 -27.357 183 HB2 PHE 35 2HB PHE 35 6.867 6.167 -26.554 184 HB3 PHE 35 3HB PHE 35 5.883 6.855 -25.266 185 HD1 PHE 35 HD1 PHE 35 3.687 5.654 -24.705 186 HD2 PHE 35 HD2 PHE 35 6.829 3.888 -26.969 187 HE1 PHE 35 HE1 PHE 35 2.797 3.419 -24.190 188 HE2 PHE 35 HE2 PHE 35 5.944 1.650 -26.458 189 HZ PHE 35 HZ PHE 35 3.925 1.413 -25.068 190 H SER 36 H SER 36 6.698 8.940 -26.967 191 HA SER 36 HA SER 36 5.318 10.650 -25.231 192 HB2 SER 36 2HB SER 36 7.711 10.862 -26.971 193 HB3 SER 36 3HB SER 36 6.961 12.383 -26.487 194 HG SER 36 HG SER 36 7.822 10.312 -24.744 195 H LYS 37 H LYS 37 5.419 10.492 -28.748 196 HA LYS 37 HA LYS 37 4.122 12.901 -29.326 197 HB2 LYS 37 2HB LYS 37 5.209 11.656 -31.076 198 HB3 LYS 37 3HB LYS 37 4.154 10.273 -30.815 199 HG2 LYS 37 2HG LYS 37 2.843 12.833 -31.495 200 HG3 LYS 37 3HG LYS 37 3.778 12.048 -32.769 201 HD2 LYS 37 2HD LYS 37 2.191 10.517 -33.084 202 HD3 LYS 37 3HD LYS 37 2.141 10.133 -31.362 203 HE2 LYS 37 2HE LYS 37 0.398 11.539 -30.960 204 HE3 LYS 37 3HE LYS 37 0.876 12.671 -32.224 205 HZ1 LYS 37 1HZ LYS 37 0.028 10.073 -33.172 206 HZ2 LYS 37 2HZ LYS 37 -0.360 11.616 -33.747 207 HZ3 LYS 37 3HZ LYS 37 -1.187 10.977 -32.417 208 H HIS 38 H HIS 38 2.854 9.746 -28.438 209 HA HIS 38 HA HIS 38 0.231 10.976 -28.023 210 HB2 HIS 38 2HB HIS 38 0.495 9.630 -30.269 211 HB3 HIS 38 3HB HIS 38 0.329 8.231 -29.213 212 HD1 HIS 38 HD1 HIS 38 -1.995 7.566 -28.604 213 HD2 HIS 38 HD2 HIS 38 -1.812 11.423 -30.137 214 HE1 HIS 38 HE1 HIS 38 -4.386 8.305 -28.851 215 H GLY 39 H GLY 39 -0.093 10.749 -25.908 216 HA2 GLY 39 2HA GLY 39 -0.741 9.424 -24.057 217 HA3 GLY 39 3HA GLY 39 0.140 8.070 -24.748 218 H THR 40 H THR 40 0.179 9.393 -22.047 219 HA THR 40 HA THR 40 3.043 10.077 -21.948 220 HB THR 40 HB THR 40 1.406 10.654 -19.564 221 HG1 THR 40 HG1 THR 40 1.101 12.243 -21.909 222 HG21 THR 40 1HG2 THR 40 3.608 11.447 -19.496 223 HG22 THR 40 2HG2 THR 40 2.659 12.876 -19.904 224 HG23 THR 40 3HG2 THR 40 3.549 12.021 -21.162 225 H VAL 41 H VAL 41 4.265 8.440 -21.292 226 HA VAL 41 HA VAL 41 3.176 6.587 -19.274 227 HB VAL 41 HB VAL 41 4.842 4.942 -20.120 228 HG11 VAL 41 1HG1 VAL 41 3.050 4.198 -21.201 229 HG12 VAL 41 2HG1 VAL 41 2.430 5.839 -21.394 230 HG13 VAL 41 3HG1 VAL 41 3.537 5.166 -22.592 231 HG21 VAL 41 1HG2 VAL 41 6.050 5.297 -22.123 232 HG22 VAL 41 2HG2 VAL 41 5.183 6.793 -22.469 233 HG23 VAL 41 3HG2 VAL 41 6.327 6.726 -21.128 234 H GLN 42 H GLN 42 4.473 5.966 -17.544 235 HA GLN 42 HA GLN 42 6.370 7.927 -16.679 236 HB2 GLN 42 2HB GLN 42 4.702 6.488 -15.277 237 HB3 GLN 42 3HB GLN 42 5.987 5.288 -15.311 238 HG2 GLN 42 2HG GLN 42 7.272 7.628 -14.585 239 HG3 GLN 42 3HG GLN 42 5.735 7.692 -13.725 240 HE21 GLN 42 1HE2 GLN 42 8.478 5.566 -14.392 241 HE22 GLN 42 2HE2 GLN 42 8.451 4.758 -12.866 242 H ALA 43 H ALA 43 6.633 4.410 -17.226 243 HA ALA 43 HA ALA 43 9.228 4.729 -18.438 244 HB1 ALA 43 1HB ALA 43 9.527 4.732 -15.871 245 HB2 ALA 43 2HB ALA 43 9.190 3.005 -15.991 246 HB3 ALA 43 3HB ALA 43 10.567 3.697 -16.850 247 H VAL 44 H VAL 44 10.123 2.632 -19.168 248 HA VAL 44 HA VAL 44 8.173 0.456 -19.309 249 HB VAL 44 HB VAL 44 7.743 1.788 -21.311 250 HG11 VAL 44 1HG1 VAL 44 10.694 1.442 -21.771 251 HG12 VAL 44 2HG1 VAL 44 9.573 1.874 -23.063 252 HG13 VAL 44 3HG1 VAL 44 9.771 2.941 -21.672 253 HG21 VAL 44 1HG2 VAL 44 7.575 -0.680 -21.388 254 HG22 VAL 44 2HG2 VAL 44 7.960 0.033 -22.954 255 HG23 VAL 44 3HG2 VAL 44 9.226 -0.745 -22.004 256 H TRP 45 H TRP 45 9.063 -1.576 -19.646 257 HA TRP 45 HA TRP 45 11.824 -1.945 -20.300 258 HB2 TRP 45 2HB TRP 45 11.084 -1.632 -17.519 259 HB3 TRP 45 3HB TRP 45 11.762 -3.231 -17.812 260 HD1 TRP 45 HD1 TRP 45 14.070 -2.693 -19.769 261 HE1 TRP 45 HE1 TRP 45 16.104 -1.263 -19.099 262 HE3 TRP 45 HE3 TRP 45 11.980 -0.061 -15.917 263 HZ2 TRP 45 HZ2 TRP 45 16.738 0.717 -17.191 264 HZ3 TRP 45 HZ3 TRP 45 13.368 1.582 -14.721 265 HH2 TRP 45 HH2 TRP 45 15.697 1.961 -15.345 266 H ARG 46 H ARG 46 12.450 -4.329 -19.925 267 HA ARG 46 HA ARG 46 10.293 -6.218 -19.777 268 HB2 ARG 46 2HB ARG 46 10.594 -7.116 -22.063 269 HB3 ARG 46 3HB ARG 46 9.944 -5.482 -22.057 270 HG2 ARG 46 2HG ARG 46 12.883 -5.767 -22.269 271 HG3 ARG 46 3HG ARG 46 11.914 -6.236 -23.667 272 HD2 ARG 46 2HD ARG 46 11.059 -3.711 -22.506 273 HD3 ARG 46 3HD ARG 46 12.742 -3.680 -23.031 274 HE ARG 46 HE ARG 46 10.938 -4.782 -24.980 275 HH11 ARG 46 1HH1 ARG 46 12.366 -1.868 -23.719 276 HH12 ARG 46 2HH1 ARG 46 12.150 -0.972 -25.186 277 HH21 ARG 46 1HH2 ARG 46 10.647 -3.613 -26.917 278 HH22 ARG 46 2HH2 ARG 46 11.171 -1.965 -27.004 279 H ARG 47 H ARG 47 11.006 -8.294 -19.413 280 HA ARG 47 HA ARG 47 13.850 -8.879 -19.713 281 HB2 ARG 47 2HB ARG 47 14.124 -9.593 -17.428 282 HB3 ARG 47 3HB ARG 47 13.544 -7.933 -17.432 283 HG2 ARG 47 2HG ARG 47 11.215 -9.365 -17.318 284 HG3 ARG 47 3HG ARG 47 12.319 -10.346 -16.352 285 HD2 ARG 47 2HD ARG 47 12.949 -8.030 -15.294 286 HD3 ARG 47 3HD ARG 47 11.366 -7.555 -15.907 287 HE ARG 47 HE ARG 47 11.900 -9.208 -13.649 288 HH11 ARG 47 1HH1 ARG 47 9.639 -8.658 -16.238 289 HH12 ARG 47 2HH1 ARG 47 8.292 -9.328 -15.379 290 HH21 ARG 47 1HH2 ARG 47 10.134 -10.093 -12.507 291 HH22 ARG 47 2HH2 ARG 47 8.574 -10.143 -13.257 292 H TYR 48 H TYR 48 14.337 -11.182 -19.381 293 HA TYR 48 HA TYR 48 12.054 -12.990 -19.492 294 HB2 TYR 48 2HB TYR 48 13.080 -14.127 -21.519 295 HB3 TYR 48 3HB TYR 48 12.304 -12.575 -21.815 296 HD1 TYR 48 HD1 TYR 48 15.425 -14.427 -21.869 297 HD2 TYR 48 HD2 TYR 48 13.686 -10.560 -22.223 298 HE1 TYR 48 HE1 TYR 48 17.494 -13.598 -22.908 299 HE2 TYR 48 HE2 TYR 48 15.750 -9.720 -23.264 300 HH TYR 48 HH TYR 48 17.762 -11.020 -24.671 301 H PHE 49 H PHE 49 12.456 -14.574 -18.114 302 HA PHE 49 HA PHE 49 15.158 -15.112 -17.232 303 HB2 PHE 49 2HB PHE 49 12.447 -15.654 -16.259 304 HB3 PHE 49 3HB PHE 49 13.562 -16.993 -16.008 305 HD1 PHE 49 HD1 PHE 49 12.195 -14.318 -14.426 306 HD2 PHE 49 HD2 PHE 49 16.023 -15.995 -15.234 307 HE1 PHE 49 HE1 PHE 49 13.109 -13.178 -12.446 308 HE2 PHE 49 HE2 PHE 49 16.942 -14.859 -13.255 309 HZ PHE 49 HZ PHE 49 15.485 -13.449 -11.858 310 H ALA 50 H ALA 50 16.441 -16.619 -18.054 311 HA ALA 50 HA ALA 50 15.448 -18.449 -20.053 312 HB1 ALA 50 1HB ALA 50 17.531 -18.372 -20.820 313 HB2 ALA 50 2HB ALA 50 17.898 -17.216 -19.539 314 HB3 ALA 50 3HB ALA 50 18.179 -18.938 -19.280 315 H GLY 51 H GLY 51 16.632 -18.616 -16.740 316 HA2 GLY 51 2HA GLY 51 16.128 -20.262 -15.167 317 HA3 GLY 51 3HA GLY 51 15.423 -21.236 -16.448 318 H LYS 52 H LYS 52 17.958 -20.995 -14.326 319 HA LYS 52 HA LYS 52 19.463 -23.025 -15.812 320 HB2 LYS 52 2HB LYS 52 20.504 -20.702 -16.022 321 HB3 LYS 52 3HB LYS 52 20.855 -20.819 -14.302 322 HG2 LYS 52 2HG LYS 52 22.809 -21.644 -15.045 323 HG3 LYS 52 3HG LYS 52 21.893 -23.150 -15.134 324 HD2 LYS 52 2HD LYS 52 21.295 -22.336 -17.530 325 HD3 LYS 52 3HD LYS 52 22.703 -21.289 -17.334 326 HE2 LYS 52 2HE LYS 52 23.530 -23.809 -16.462 327 HE3 LYS 52 3HE LYS 52 22.573 -24.115 -17.910 328 HZ1 LYS 52 1HZ LYS 52 23.955 -22.334 -18.994 329 HZ2 LYS 52 2HZ LYS 52 24.767 -23.773 -18.632 330 HZ3 LYS 52 3HZ LYS 52 24.981 -22.411 -17.651 331 H LYS 53 H LYS 53 17.807 -23.895 -14.001 332 HA LYS 53 HA LYS 53 19.536 -24.808 -11.857 333 HB2 LYS 53 2HB LYS 53 17.960 -24.258 -10.080 334 HB3 LYS 53 3HB LYS 53 18.483 -22.798 -10.910 335 HG2 LYS 53 2HG LYS 53 16.108 -23.844 -12.141 336 HG3 LYS 53 3HG LYS 53 15.866 -23.629 -10.406 337 HD2 LYS 53 2HD LYS 53 16.055 -21.370 -10.523 338 HD3 LYS 53 3HD LYS 53 17.233 -21.429 -11.837 339 HE2 LYS 53 2HE LYS 53 15.503 -21.872 -13.441 340 HE3 LYS 53 3HE LYS 53 14.299 -22.043 -12.165 341 HZ1 LYS 53 1HZ LYS 53 15.616 -19.533 -11.994 342 HZ2 LYS 53 2HZ LYS 53 13.966 -19.865 -12.155 343 HZ3 LYS 53 3HZ LYS 53 14.942 -19.744 -13.532 344 H ASP 54 H ASP 54 18.154 -26.387 -10.407 345 HA ASP 54 HA ASP 54 16.807 -28.193 -12.282 346 HB2 ASP 54 2HB ASP 54 18.143 -28.624 -9.615 347 HB3 ASP 54 3HB ASP 54 17.119 -29.853 -10.352 348 H ALA 55 H ALA 55 15.508 -25.840 -11.106 349 HA ALA 55 HA ALA 55 13.410 -27.182 -9.528 350 HB1 ALA 55 1HB ALA 55 13.404 -25.482 -8.095 351 HB2 ALA 55 2HB ALA 55 14.883 -24.922 -8.875 352 HB3 ALA 55 3HB ALA 55 13.320 -24.295 -9.397 353 HA PRO 56 HA PRO 56 10.403 -26.312 -12.603 354 HB2 PRO 56 2HB PRO 56 8.233 -25.630 -11.121 355 HB3 PRO 56 3HB PRO 56 8.847 -27.284 -11.221 356 HG2 PRO 56 2HG PRO 56 9.270 -25.232 -9.082 357 HG3 PRO 56 3HG PRO 56 8.919 -26.963 -8.919 358 HD2 PRO 56 2HD PRO 56 11.416 -25.951 -8.648 359 HD3 PRO 56 3HD PRO 56 11.108 -27.572 -9.303 360 HA PRO 57 HA PRO 57 10.072 -22.035 -13.567 361 HB2 PRO 57 2HB PRO 57 7.635 -21.872 -14.753 362 HB3 PRO 57 3HB PRO 57 9.027 -22.644 -15.521 363 HG2 PRO 57 2HG PRO 57 6.736 -23.897 -14.059 364 HG3 PRO 57 3HG PRO 57 7.510 -24.405 -15.571 365 HD2 PRO 57 2HD PRO 57 8.050 -25.580 -13.192 366 HD3 PRO 57 3HD PRO 57 9.264 -25.424 -14.478 367 H GLU 58 H GLU 58 9.983 -20.814 -11.733 368 HA GLU 58 HA GLU 58 7.444 -20.601 -10.293 369 HB2 GLU 58 2HB GLU 58 9.337 -20.970 -8.870 370 HB3 GLU 58 3HB GLU 58 10.238 -19.669 -9.635 371 HG2 GLU 58 2HG GLU 58 9.056 -18.024 -8.551 372 HG3 GLU 58 3HG GLU 58 7.654 -19.059 -8.285 373 H SER 59 H SER 59 9.809 -18.609 -12.010 374 HA SER 59 HA SER 59 8.122 -16.253 -11.743 375 HB2 SER 59 2HB SER 59 10.612 -16.321 -13.410 376 HB3 SER 59 3HB SER 59 9.946 -14.998 -12.453 377 HG SER 59 HG SER 59 10.549 -16.175 -10.576 378 H ARG 60 H ARG 60 7.844 -14.902 -13.789 379 HA ARG 60 HA ARG 60 6.870 -16.676 -15.923 380 HB2 ARG 60 2HB ARG 60 6.029 -13.863 -15.199 381 HB3 ARG 60 3HB ARG 60 5.379 -14.797 -16.540 382 HG2 ARG 60 2HG ARG 60 5.153 -15.485 -13.617 383 HG3 ARG 60 3HG ARG 60 3.870 -14.849 -14.649 384 HD2 ARG 60 2HD ARG 60 3.328 -16.931 -15.197 385 HD3 ARG 60 3HD ARG 60 4.907 -17.111 -15.961 386 HE ARG 60 HE ARG 60 5.333 -17.555 -13.284 387 HH11 ARG 60 1HH1 ARG 60 3.349 -18.953 -15.779 388 HH12 ARG 60 2HH1 ARG 60 3.359 -20.538 -15.080 389 HH21 ARG 60 1HH2 ARG 60 5.354 -19.637 -12.354 390 HH22 ARG 60 2HH2 ARG 60 4.500 -20.926 -13.131 391 H THR 61 H THR 61 8.091 -16.753 -17.679 392 HA THR 61 HA THR 61 9.632 -14.355 -18.434 393 HB THR 61 HB THR 61 11.199 -16.059 -17.908 394 HG1 THR 61 HG1 THR 61 11.360 -14.948 -20.053 395 HG21 THR 61 1HG2 THR 61 9.152 -17.815 -18.972 396 HG22 THR 61 2HG2 THR 61 10.488 -18.177 -17.879 397 HG23 THR 61 3HG2 THR 61 10.745 -18.199 -19.623 398 H LYS 62 H LYS 62 8.544 -13.343 -20.002 399 HA LYS 62 HA LYS 62 7.817 -14.887 -22.383 400 HB2 LYS 62 2HB LYS 62 5.737 -13.363 -22.522 401 HB3 LYS 62 3HB LYS 62 5.694 -14.736 -21.423 402 HG2 LYS 62 2HG LYS 62 6.639 -12.165 -20.310 403 HG3 LYS 62 3HG LYS 62 4.926 -12.286 -20.717 404 HD2 LYS 62 2HD LYS 62 6.130 -14.536 -19.205 405 HD3 LYS 62 3HD LYS 62 5.892 -13.015 -18.341 406 HE2 LYS 62 2HE LYS 62 3.746 -13.516 -18.079 407 HE3 LYS 62 3HE LYS 62 3.541 -13.520 -19.830 408 HZ1 LYS 62 1HZ LYS 62 4.141 -15.845 -19.878 409 HZ2 LYS 62 2HZ LYS 62 2.846 -15.613 -18.815 410 HZ3 LYS 62 3HZ LYS 62 4.407 -15.852 -18.207 411 HA PRO 63 HA PRO 63 9.634 -11.596 -24.645 412 HB2 PRO 63 2HB PRO 63 8.094 -11.536 -26.879 413 HB3 PRO 63 3HB PRO 63 9.251 -12.830 -26.544 414 HG2 PRO 63 2HG PRO 63 6.286 -12.786 -26.132 415 HG3 PRO 63 3HG PRO 63 7.305 -14.079 -26.791 416 HD2 PRO 63 2HD PRO 63 6.408 -14.089 -24.236 417 HD3 PRO 63 3HD PRO 63 7.971 -14.790 -24.701 418 H SER 64 H SER 64 6.270 -11.432 -23.814 419 HA SER 64 HA SER 64 5.501 -8.980 -24.824 420 HB2 SER 64 2HB SER 64 4.612 -9.434 -22.061 421 HB3 SER 64 3HB SER 64 3.663 -9.259 -23.537 422 HG SER 64 HG SER 64 3.394 -11.332 -23.380 423 H VAL 65 H VAL 65 5.464 -6.863 -23.964 424 HA VAL 65 HA VAL 65 7.766 -6.281 -22.233 425 HB VAL 65 HB VAL 65 7.574 -3.957 -23.109 426 HG11 VAL 65 1HG1 VAL 65 9.004 -5.830 -24.111 427 HG12 VAL 65 2HG1 VAL 65 7.804 -5.875 -25.405 428 HG13 VAL 65 3HG1 VAL 65 8.719 -4.398 -25.100 429 HG21 VAL 65 1HG2 VAL 65 5.080 -4.431 -23.749 430 HG22 VAL 65 2HG2 VAL 65 6.051 -3.315 -24.710 431 HG23 VAL 65 3HG2 VAL 65 5.787 -4.965 -25.274 432 H PHE 66 H PHE 66 7.582 -4.692 -20.578 433 HA PHE 66 HA PHE 66 4.842 -4.433 -19.531 434 HB2 PHE 66 2HB PHE 66 7.386 -4.255 -17.916 435 HB3 PHE 66 3HB PHE 66 5.740 -4.440 -17.319 436 HD1 PHE 66 HD1 PHE 66 8.708 -6.116 -18.406 437 HD2 PHE 66 HD2 PHE 66 4.523 -6.600 -17.802 438 HE1 PHE 66 HE1 PHE 66 8.996 -8.560 -18.393 439 HE2 PHE 66 HE2 PHE 66 4.804 -9.044 -17.787 440 HZ PHE 66 HZ PHE 66 7.042 -10.027 -18.082 441 H VAL 67 H VAL 67 4.006 -2.462 -19.282 442 HA VAL 67 HA VAL 67 5.830 -0.149 -19.322 443 HB VAL 67 HB VAL 67 4.126 1.111 -20.590 444 HG11 VAL 67 1HG1 VAL 67 5.510 -1.274 -21.681 445 HG12 VAL 67 2HG1 VAL 67 4.356 -0.449 -22.731 446 HG13 VAL 67 3HG1 VAL 67 5.727 0.435 -22.059 447 HG21 VAL 67 1HG2 VAL 67 2.741 -1.562 -20.694 448 HG22 VAL 67 2HG2 VAL 67 2.121 -0.053 -20.024 449 HG23 VAL 67 3HG2 VAL 67 2.352 -0.216 -21.765 450 H VAL 68 H VAL 68 5.454 1.413 -17.846 451 HA VAL 68 HA VAL 68 3.061 1.115 -16.148 452 HB VAL 68 HB VAL 68 5.727 2.235 -15.279 453 HG11 VAL 68 1HG1 VAL 68 3.115 1.719 -13.922 454 HG12 VAL 68 2HG1 VAL 68 4.618 1.653 -12.999 455 HG13 VAL 68 3HG1 VAL 68 4.161 3.136 -13.839 456 HG21 VAL 68 1HG2 VAL 68 6.399 0.091 -15.336 457 HG22 VAL 68 2HG2 VAL 68 5.418 -0.076 -13.879 458 HG23 VAL 68 3HG2 VAL 68 4.751 -0.528 -15.448 459 H PHE 69 H PHE 69 1.665 2.708 -16.472 460 HA PHE 69 HA PHE 69 2.481 5.218 -17.629 461 HB2 PHE 69 2HB PHE 69 -0.217 4.267 -16.644 462 HB3 PHE 69 3HB PHE 69 0.065 5.775 -17.509 463 HD1 PHE 69 HD1 PHE 69 0.190 2.098 -17.798 464 HD2 PHE 69 HD2 PHE 69 0.247 5.822 -19.857 465 HE1 PHE 69 HE1 PHE 69 -0.085 0.915 -19.938 466 HE2 PHE 69 HE2 PHE 69 -0.030 4.646 -22.000 467 HZ PHE 69 HZ PHE 69 -0.197 2.189 -22.043 468 H ASN 70 H ASN 70 2.414 7.240 -16.678 469 HA ASN 70 HA ASN 70 2.749 7.246 -13.796 470 HB2 ASN 70 2HB ASN 70 4.175 8.521 -15.581 471 HB3 ASN 70 3HB ASN 70 2.881 9.713 -15.497 472 HD21 ASN 70 1HD2 ASN 70 5.267 10.590 -14.824 473 HD22 ASN 70 2HD2 ASN 70 5.426 10.780 -13.115 474 H SER 71 H SER 71 0.611 8.701 -16.213 475 HA SER 71 HA SER 71 -0.965 10.077 -14.240 476 HB2 SER 71 2HB SER 71 -1.158 9.691 -17.212 477 HB3 SER 71 3HB SER 71 -2.525 10.351 -16.315 478 HG SER 71 HG SER 71 -0.683 11.777 -17.229 479 H SER 72 H SER 72 -2.701 9.356 -13.184 480 HA SER 72 HA SER 72 -3.403 6.639 -13.174 481 HB2 SER 72 2HB SER 72 -4.090 7.498 -11.193 482 HB3 SER 72 3HB SER 72 -4.362 9.102 -11.873 483 HG SER 72 HG SER 72 -6.379 8.561 -12.399 484 H GLU 73 H GLU 73 -5.117 9.451 -14.526 485 HA GLU 73 HA GLU 73 -7.330 8.101 -15.542 486 HB2 GLU 73 2HB GLU 73 -6.650 10.678 -15.442 487 HB3 GLU 73 3HB GLU 73 -6.212 10.367 -17.115 488 HG2 GLU 73 2HG GLU 73 -8.915 9.750 -15.954 489 HG3 GLU 73 3HG GLU 73 -8.514 11.258 -16.775 490 H GLU 74 H GLU 74 -4.357 9.039 -17.277 491 HA GLU 74 HA GLU 74 -4.988 7.722 -19.674 492 HB2 GLU 74 2HB GLU 74 -2.931 9.342 -18.773 493 HB3 GLU 74 3HB GLU 74 -2.131 7.810 -19.092 494 HG2 GLU 74 2HG GLU 74 -1.946 8.670 -21.159 495 HG3 GLU 74 3HG GLU 74 -3.574 8.018 -21.333 496 H ALA 75 H ALA 75 -3.583 6.590 -16.693 497 HA ALA 75 HA ALA 75 -2.465 4.179 -17.641 498 HB1 ALA 75 1HB ALA 75 -2.563 3.460 -15.270 499 HB2 ALA 75 2HB ALA 75 -1.827 5.048 -15.492 500 HB3 ALA 75 3HB ALA 75 -3.485 4.918 -14.903 501 H GLU 76 H GLU 76 -5.608 4.852 -16.103 502 HA GLU 76 HA GLU 76 -6.578 2.206 -16.317 503 HB2 GLU 76 2HB GLU 76 -7.825 4.877 -15.802 504 HB3 GLU 76 3HB GLU 76 -8.862 3.497 -16.137 505 HG2 GLU 76 2HG GLU 76 -7.325 2.391 -14.272 506 HG3 GLU 76 3HG GLU 76 -7.172 4.077 -13.780 507 H ALA 77 H ALA 77 -6.884 5.049 -18.393 508 HA ALA 77 HA ALA 77 -8.744 4.037 -20.218 509 HB1 ALA 77 1HB ALA 77 -6.503 5.893 -20.971 510 HB2 ALA 77 2HB ALA 77 -8.130 5.807 -21.645 511 HB3 ALA 77 3HB ALA 77 -7.885 6.417 -20.009 512 H PHE 78 H PHE 78 -5.184 4.062 -20.438 513 HA PHE 78 HA PHE 78 -5.030 2.595 -22.831 514 HB2 PHE 78 2HB PHE 78 -3.151 3.401 -20.692 515 HB3 PHE 78 3HB PHE 78 -2.671 1.999 -21.644 516 HD1 PHE 78 HD1 PHE 78 -1.776 2.251 -23.790 517 HD2 PHE 78 HD2 PHE 78 -3.679 5.553 -21.894 518 HE1 PHE 78 HE1 PHE 78 -0.961 3.739 -25.571 519 HE2 PHE 78 HE2 PHE 78 -2.867 7.046 -23.673 520 HZ PHE 78 HZ PHE 78 -1.507 6.140 -25.515 521 H GLN 79 H GLN 79 -5.059 1.590 -19.449 522 HA GLN 79 HA GLN 79 -4.419 -1.106 -19.800 523 HB2 GLN 79 2HB GLN 79 -5.550 0.558 -17.698 524 HB3 GLN 79 3HB GLN 79 -6.230 -1.064 -17.695 525 HG2 GLN 79 2HG GLN 79 -4.325 -2.004 -16.984 526 HG3 GLN 79 3HG GLN 79 -3.314 -0.953 -17.974 527 HE21 GLN 79 1HE2 GLN 79 -5.151 -1.153 -14.989 528 HE22 GLN 79 2HE2 GLN 79 -4.267 0.068 -14.144 529 H LYS 80 H LYS 80 -7.550 0.543 -19.899 530 HA LYS 80 HA LYS 80 -9.182 -1.714 -20.143 531 HB2 LYS 80 2HB LYS 80 -10.061 0.525 -19.681 532 HB3 LYS 80 3HB LYS 80 -9.589 1.055 -21.290 533 HG2 LYS 80 2HG LYS 80 -11.153 -0.566 -22.267 534 HG3 LYS 80 3HG LYS 80 -11.649 -1.044 -20.642 535 HD2 LYS 80 2HD LYS 80 -13.178 0.572 -20.714 536 HD3 LYS 80 3HD LYS 80 -11.859 1.745 -20.695 537 HE2 LYS 80 2HE LYS 80 -11.760 1.578 -23.174 538 HE3 LYS 80 3HE LYS 80 -13.181 0.536 -23.122 539 HZ1 LYS 80 1HZ LYS 80 -14.014 2.654 -23.540 540 HZ2 LYS 80 2HZ LYS 80 -12.981 3.401 -22.428 541 HZ3 LYS 80 3HZ LYS 80 -14.269 2.452 -21.879 542 H ALA 81 H ALA 81 -8.359 0.503 -22.813 543 HA ALA 81 HA ALA 81 -8.232 -1.843 -24.593 544 HB1 ALA 81 1HB ALA 81 -9.845 -1.013 -25.868 545 HB2 ALA 81 2HB ALA 81 -10.067 0.291 -24.700 546 HB3 ALA 81 3HB ALA 81 -8.959 0.501 -26.056 547 HA PRO 82 HA PRO 82 -4.315 -0.463 -26.009 548 HB2 PRO 82 2HB PRO 82 -4.419 -1.032 -28.662 549 HB3 PRO 82 3HB PRO 82 -4.290 -2.279 -27.416 550 HG2 PRO 82 2HG PRO 82 -6.710 -1.328 -28.901 551 HG3 PRO 82 3HG PRO 82 -6.224 -2.985 -28.498 552 HD2 PRO 82 2HD PRO 82 -8.094 -1.630 -27.084 553 HD3 PRO 82 3HD PRO 82 -7.014 -2.826 -26.339 554 HA PRO 83 HA PRO 83 -4.395 3.592 -27.707 555 HB2 PRO 83 2HB PRO 83 -2.120 3.670 -29.187 556 HB3 PRO 83 3HB PRO 83 -2.117 3.665 -27.419 557 HG2 PRO 83 2HG PRO 83 -1.672 1.396 -29.320 558 HG3 PRO 83 3HG PRO 83 -0.795 1.797 -27.832 559 HD2 PRO 83 2HD PRO 83 -2.694 -0.130 -27.929 560 HD3 PRO 83 3HD PRO 83 -2.405 0.853 -26.479 561 H MET 84 H MET 84 -3.866 0.983 -30.025 562 HA MET 84 HA MET 84 -4.580 0.662 -32.159 563 HB2 MET 84 2HB MET 84 -6.624 2.261 -30.892 564 HB3 MET 84 3HB MET 84 -6.502 2.661 -32.600 565 HG2 MET 84 2HG MET 84 -6.417 -0.142 -32.430 566 HG3 MET 84 3HG MET 84 -7.706 0.393 -31.353 567 HE1 MET 84 1HE MET 84 -7.847 -1.020 -34.973 568 HE2 MET 84 2HE MET 84 -7.360 0.452 -35.812 569 HE3 MET 84 3HE MET 84 -6.321 -0.236 -34.564 570 H TYR 85 H TYR 85 -2.738 1.266 -33.243 571 HA TYR 85 HA TYR 85 -2.683 4.036 -34.251 572 HB2 TYR 85 2HB TYR 85 -0.730 2.784 -32.752 573 HB3 TYR 85 3HB TYR 85 -0.146 2.590 -34.400 574 HD1 TYR 85 HD1 TYR 85 0.186 4.580 -31.652 575 HD2 TYR 85 HD2 TYR 85 -0.605 4.928 -35.818 576 HE1 TYR 85 HE1 TYR 85 1.035 6.889 -31.614 577 HE2 TYR 85 HE2 TYR 85 0.242 7.237 -35.792 578 HH TYR 85 HH TYR 85 2.123 8.483 -33.722 579 H ASP 86 H ASP 86 -2.893 4.271 -36.373 580 HA ASP 86 HA ASP 86 -3.453 2.203 -38.128 581 HB2 ASP 86 2HB ASP 86 -2.492 5.019 -38.601 582 HB3 ASP 86 3HB ASP 86 -2.866 3.929 -39.933 583 H ASP 87 H ASP 87 -0.376 3.879 -37.583 584 HA ASP 87 HA ASP 87 1.156 2.715 -39.566 585 HB2 ASP 87 2HB ASP 87 1.635 4.176 -37.134 586 HB3 ASP 87 3HB ASP 87 2.814 2.876 -37.286 587 H VAL 88 H VAL 88 1.049 1.610 -36.172 588 HA VAL 88 HA VAL 88 1.387 -1.145 -37.150 589 HB VAL 88 HB VAL 88 2.796 0.023 -34.745 590 HG11 VAL 88 1HG1 VAL 88 3.802 -2.502 -35.683 591 HG12 VAL 88 2HG1 VAL 88 3.205 -2.059 -34.082 592 HG13 VAL 88 3HG1 VAL 88 2.081 -2.623 -35.318 593 HG21 VAL 88 1HG2 VAL 88 4.838 -0.618 -36.197 594 HG22 VAL 88 2HG2 VAL 88 3.699 -0.555 -37.542 595 HG23 VAL 88 3HG2 VAL 88 3.977 0.879 -36.554 596 H GLN 89 H GLN 89 -0.018 -2.557 -36.323 597 HA GLN 89 HA GLN 89 -2.118 -1.721 -34.632 598 HB2 GLN 89 2HB GLN 89 -1.574 -3.933 -36.263 599 HB3 GLN 89 3HB GLN 89 -1.779 -4.594 -34.646 600 HG2 GLN 89 2HG GLN 89 -3.912 -3.102 -34.608 601 HG3 GLN 89 3HG GLN 89 -3.737 -3.143 -36.362 602 HE21 GLN 89 1HE2 GLN 89 -3.328 -5.425 -37.224 603 HE22 GLN 89 2HE2 GLN 89 -4.344 -6.665 -36.580 604 H LEU 90 H LEU 90 -2.136 -1.477 -32.506 605 HA LEU 90 HA LEU 90 -0.045 -2.774 -30.911 606 HB2 LEU 90 2HB LEU 90 -1.309 -0.199 -30.867 607 HB3 LEU 90 3HB LEU 90 -1.526 -0.999 -29.312 608 HG LEU 90 HG LEU 90 0.420 0.386 -29.193 609 HD11 LEU 90 1HD1 LEU 90 1.792 -1.120 -28.198 610 HD12 LEU 90 2HD1 LEU 90 1.730 -2.244 -29.554 611 HD13 LEU 90 3HD1 LEU 90 0.384 -2.160 -28.418 612 HD21 LEU 90 1HD2 LEU 90 1.298 -1.050 -31.692 613 HD22 LEU 90 2HD2 LEU 90 2.366 -0.054 -30.703 614 HD23 LEU 90 3HD2 LEU 90 0.968 0.672 -31.497 615 H THR 91 H THR 91 -0.492 -4.223 -29.346 616 HA THR 91 HA THR 91 -3.323 -4.742 -28.720 617 HB THR 91 HB THR 91 -1.444 -7.043 -28.674 618 HG1 THR 91 HG1 THR 91 -2.419 -5.820 -31.051 619 HG21 THR 91 1HG2 THR 91 -3.561 -7.707 -28.070 620 HG22 THR 91 2HG2 THR 91 -3.628 -7.990 -29.809 621 HG23 THR 91 3HG2 THR 91 -4.347 -6.533 -29.124 622 H ALA 92 H ALA 92 -3.483 -3.990 -26.686 623 HA ALA 92 HA ALA 92 -1.427 -4.801 -24.740 624 HB1 ALA 92 1HB ALA 92 -1.688 -2.837 -23.634 625 HB2 ALA 92 2HB ALA 92 -2.187 -2.296 -25.237 626 HB3 ALA 92 3HB ALA 92 -3.403 -2.713 -24.029 627 H GLU 93 H GLU 93 -2.013 -5.773 -22.816 628 HA GLU 93 HA GLU 93 -4.788 -6.755 -22.701 629 HB2 GLU 93 2HB GLU 93 -2.165 -8.038 -22.113 630 HB3 GLU 93 3HB GLU 93 -3.547 -8.516 -21.137 631 HG2 GLU 93 2HG GLU 93 -3.959 -8.472 -24.057 632 HG3 GLU 93 3HG GLU 93 -2.872 -9.711 -23.431 633 H MET 94 H MET 94 -5.524 -7.315 -20.447 634 HA MET 94 HA MET 94 -4.787 -5.112 -18.654 635 HB2 MET 94 2HB MET 94 -7.231 -5.750 -19.494 636 HB3 MET 94 3HB MET 94 -7.151 -6.845 -18.121 637 HG2 MET 94 2HG MET 94 -7.018 -5.120 -16.585 638 HG3 MET 94 3HG MET 94 -6.465 -3.959 -17.789 639 HE1 MET 94 1HE MET 94 -8.478 -3.652 -15.555 640 HE2 MET 94 2HE MET 94 -8.751 -2.223 -16.552 641 HE3 MET 94 3HE MET 94 -10.111 -3.246 -16.086 642 H LYS 95 H LYS 95 -4.483 -5.487 -16.410 643 HA LYS 95 HA LYS 95 -2.863 -7.681 -15.786 644 HB2 LYS 95 2HB LYS 95 -3.115 -6.930 -13.424 645 HB3 LYS 95 3HB LYS 95 -2.677 -5.635 -14.531 646 HG2 LYS 95 2HG LYS 95 -5.177 -5.114 -14.625 647 HG3 LYS 95 3HG LYS 95 -5.313 -6.152 -13.204 648 HD2 LYS 95 2HD LYS 95 -4.001 -4.728 -11.893 649 HD3 LYS 95 3HD LYS 95 -3.331 -3.901 -13.302 650 HE2 LYS 95 2HE LYS 95 -4.915 -2.356 -13.139 651 HE3 LYS 95 3HE LYS 95 -6.145 -3.595 -13.385 652 HZ1 LYS 95 1HZ LYS 95 -6.808 -3.148 -11.330 653 HZ2 LYS 95 2HZ LYS 95 -5.450 -2.193 -11.005 654 HZ3 LYS 95 3HZ LYS 95 -5.383 -3.867 -10.768 655 H THR 96 H THR 96 -6.295 -7.093 -15.179 656 HA THR 96 HA THR 96 -6.783 -9.344 -13.569 657 HB THR 96 HB THR 96 -9.061 -8.736 -15.237 658 HG1 THR 96 HG1 THR 96 -7.802 -6.516 -13.961 659 HG21 THR 96 1HG2 THR 96 -8.567 -9.406 -12.628 660 HG22 THR 96 2HG2 THR 96 -10.118 -8.847 -13.256 661 HG23 THR 96 3HG2 THR 96 -9.010 -7.705 -12.497 662 H THR 97 H THR 97 -7.159 -8.883 -17.077 663 HA THR 97 HA THR 97 -8.156 -11.381 -17.738 664 HB THR 97 HB THR 97 -6.170 -9.900 -19.459 665 HG1 THR 97 HG1 THR 97 -7.568 -8.327 -19.584 666 HG21 THR 97 1HG2 THR 97 -6.688 -11.767 -20.665 667 HG22 THR 97 2HG2 THR 97 -8.054 -10.757 -21.138 668 HG23 THR 97 3HG2 THR 97 -8.252 -11.975 -19.879 669 H TYR 98 H TYR 98 -4.739 -10.357 -17.762 670 HA TYR 98 HA TYR 98 -3.634 -12.829 -18.413 671 HB2 TYR 98 2HB TYR 98 -2.678 -10.272 -17.661 672 HB3 TYR 98 3HB TYR 98 -1.890 -11.441 -16.608 673 HD1 TYR 98 HD1 TYR 98 -1.154 -9.625 -19.276 674 HD2 TYR 98 HD2 TYR 98 -1.482 -13.752 -18.295 675 HE1 TYR 98 HE1 TYR 98 0.427 -10.173 -21.079 676 HE2 TYR 98 HE2 TYR 98 0.099 -14.311 -20.094 677 HH TYR 98 HH TYR 98 1.966 -11.955 -21.699 678 H LEU 99 H LEU 99 -4.245 -11.403 -15.217 679 HA LEU 99 HA LEU 99 -3.168 -13.372 -13.611 680 HB2 LEU 99 2HB LEU 99 -4.068 -11.225 -12.810 681 HB3 LEU 99 3HB LEU 99 -5.702 -11.816 -13.109 682 HG LEU 99 HG LEU 99 -4.155 -13.552 -11.344 683 HD11 LEU 99 1HD1 LEU 99 -3.151 -11.873 -10.224 684 HD12 LEU 99 2HD1 LEU 99 -4.742 -11.706 -9.483 685 HD13 LEU 99 3HD1 LEU 99 -4.278 -10.654 -10.820 686 HD21 LEU 99 1HD2 LEU 99 -6.693 -12.153 -10.639 687 HD22 LEU 99 2HD2 LEU 99 -6.174 -13.799 -10.275 688 HD23 LEU 99 3HD2 LEU 99 -6.705 -13.382 -11.905 689 H GLU 100 H GLU 100 -6.441 -13.216 -14.984 690 HA GLU 100 HA GLU 100 -7.364 -15.620 -13.824 691 HB2 GLU 100 2HB GLU 100 -8.437 -13.595 -15.434 692 HB3 GLU 100 3HB GLU 100 -8.600 -15.067 -16.381 693 HG2 GLU 100 2HG GLU 100 -9.800 -16.136 -14.573 694 HG3 GLU 100 3HG GLU 100 -9.576 -14.714 -13.556 695 H ARG 101 H ARG 101 -5.773 -14.896 -16.889 696 HA ARG 101 HA ARG 101 -6.081 -17.374 -18.136 697 HB2 ARG 101 2HB ARG 101 -4.894 -15.011 -18.804 698 HB3 ARG 101 3HB ARG 101 -3.490 -16.046 -18.573 699 HG2 ARG 101 2HG ARG 101 -4.075 -16.138 -20.868 700 HG3 ARG 101 3HG ARG 101 -4.542 -17.680 -20.147 701 HD2 ARG 101 2HD ARG 101 -6.414 -17.185 -21.385 702 HD3 ARG 101 3HD ARG 101 -6.847 -16.491 -19.823 703 HE ARG 101 HE ARG 101 -5.654 -14.440 -21.162 704 HH11 ARG 101 1HH1 ARG 101 -8.315 -16.584 -21.828 705 HH12 ARG 101 2HH1 ARG 101 -9.176 -15.428 -22.789 706 HH21 ARG 101 1HH2 ARG 101 -6.778 -12.909 -22.427 707 HH22 ARG 101 2HH2 ARG 101 -8.300 -13.339 -23.130 708 H LYS 102 H LYS 102 -3.234 -16.195 -16.334 709 HA LYS 102 HA LYS 102 -1.856 -18.631 -16.311 710 HB2 LYS 102 2HB LYS 102 -0.564 -17.659 -14.435 711 HB3 LYS 102 3HB LYS 102 -0.734 -16.550 -15.790 712 HG2 LYS 102 2HG LYS 102 -2.641 -15.487 -14.556 713 HG3 LYS 102 3HG LYS 102 -2.199 -16.481 -13.166 714 HD2 LYS 102 2HD LYS 102 -0.240 -14.665 -14.550 715 HD3 LYS 102 3HD LYS 102 -1.263 -14.122 -13.218 716 HE2 LYS 102 2HE LYS 102 -0.302 -16.244 -12.022 717 HE3 LYS 102 3HE LYS 102 0.987 -16.084 -13.214 718 HZ1 LYS 102 1HZ LYS 102 0.516 -13.558 -12.138 719 HZ2 LYS 102 2HZ LYS 102 1.887 -14.529 -11.946 720 HZ3 LYS 102 3HZ LYS 102 0.615 -14.635 -10.837 721 H ALA 103 H ALA 103 -4.189 -17.269 -14.034 722 HA ALA 103 HA ALA 103 -3.956 -19.117 -11.971 723 HB1 ALA 103 1HB ALA 103 -6.241 -17.447 -12.953 724 HB2 ALA 103 2HB ALA 103 -6.444 -18.563 -11.602 725 HB3 ALA 103 3HB ALA 103 -5.266 -17.255 -11.497 726 H GLU 104 H GLU 104 -5.966 -19.250 -14.895 727 HA GLU 104 HA GLU 104 -7.166 -21.750 -14.240 728 HB2 GLU 104 2HB GLU 104 -7.336 -19.804 -16.363 729 HB3 GLU 104 3HB GLU 104 -7.247 -21.427 -17.033 730 HG2 GLU 104 2HG GLU 104 -9.073 -21.464 -14.860 731 HG3 GLU 104 3HG GLU 104 -9.474 -20.100 -15.902 732 H GLU 105 H GLU 105 -4.333 -20.774 -16.075 733 HA GLU 105 HA GLU 105 -3.780 -23.205 -17.349 734 HB2 GLU 105 2HB GLU 105 -2.667 -21.055 -17.877 735 HB3 GLU 105 3HB GLU 105 -1.799 -21.151 -16.351 736 HG2 GLU 105 2HG GLU 105 -0.630 -23.117 -17.072 737 HG3 GLU 105 3HG GLU 105 -1.594 -23.198 -18.545 738 H ILE 106 H ILE 106 -2.319 -21.915 -14.359 739 HA ILE 106 HA ILE 106 -0.926 -24.244 -13.671 740 HB ILE 106 HB ILE 106 -0.418 -22.101 -12.635 741 HG12 ILE 106 2HG1 ILE 106 -0.226 -22.858 -10.291 742 HG13 ILE 106 3HG1 ILE 106 -1.362 -24.159 -10.627 743 HG21 ILE 106 1HG2 ILE 106 -1.845 -20.955 -11.168 744 HG22 ILE 106 2HG2 ILE 106 -2.876 -21.434 -12.515 745 HG23 ILE 106 3HG2 ILE 106 -2.926 -22.338 -11.002 746 HD11 ILE 106 1HD1 ILE 106 0.245 -25.453 -11.430 747 HD12 ILE 106 2HD1 ILE 106 0.844 -24.175 -12.487 748 HD13 ILE 106 3HD1 ILE 106 1.394 -24.266 -10.814 749 H ALA 107 H ALA 107 -4.234 -23.257 -13.060 750 HA ALA 107 HA ALA 107 -4.896 -25.128 -11.079 751 HB1 ALA 107 1HB ALA 107 -6.345 -23.356 -12.903 752 HB2 ALA 107 2HB ALA 107 -7.237 -24.806 -12.441 753 HB3 ALA 107 3HB ALA 107 -6.628 -23.712 -11.199 754 H ALA 108 H ALA 108 -4.903 -25.356 -14.603 755 HA ALA 108 HA ALA 108 -6.199 -27.842 -14.822 756 HB1 ALA 108 1HB ALA 108 -4.160 -26.590 -16.659 757 HB2 ALA 108 2HB ALA 108 -5.212 -27.948 -17.065 758 HB3 ALA 108 3HB ALA 108 -5.908 -26.363 -16.728 759 H LYS 109 H LYS 109 -2.807 -26.984 -14.366 760 HA LYS 109 HA LYS 109 -1.733 -29.566 -14.734 761 HB2 LYS 109 2HB LYS 109 -0.710 -27.209 -13.144 762 HB3 LYS 109 3HB LYS 109 0.225 -28.666 -13.455 763 HG2 LYS 109 2HG LYS 109 -0.928 -27.037 -15.691 764 HG3 LYS 109 3HG LYS 109 0.628 -26.642 -14.956 765 HD2 LYS 109 2HD LYS 109 1.426 -28.033 -16.545 766 HD3 LYS 109 3HD LYS 109 0.958 -29.284 -15.390 767 HE2 LYS 109 2HE LYS 109 -1.375 -28.968 -16.671 768 HE3 LYS 109 3HE LYS 109 -0.272 -28.511 -17.968 769 HZ1 LYS 109 1HZ LYS 109 0.926 -30.647 -17.485 770 HZ2 LYS 109 2HZ LYS 109 -0.615 -30.818 -18.160 771 HZ3 LYS 109 3HZ LYS 109 -0.382 -31.084 -16.505 772 H LYS 110 H LYS 110 -2.566 -27.797 -11.757 773 HA LYS 110 HA LYS 110 -2.202 -30.204 -10.172 774 HB2 LYS 110 2HB LYS 110 -2.467 -27.320 -9.643 775 HB3 LYS 110 3HB LYS 110 -3.242 -28.355 -8.452 776 HG2 LYS 110 2HG LYS 110 -1.195 -28.267 -7.510 777 HG3 LYS 110 3HG LYS 110 -0.890 -29.604 -8.620 778 HD2 LYS 110 2HD LYS 110 -0.460 -27.127 -9.984 779 HD3 LYS 110 3HD LYS 110 0.448 -27.123 -8.471 780 HE2 LYS 110 2HE LYS 110 1.686 -29.004 -9.070 781 HE3 LYS 110 3HE LYS 110 0.523 -29.494 -10.301 782 HZ1 LYS 110 1HZ LYS 110 1.718 -28.417 -11.799 783 HZ2 LYS 110 2HZ LYS 110 2.823 -27.931 -10.615 784 HZ3 LYS 110 3HZ LYS 110 1.486 -26.958 -10.974 Start of MODEL 4 1 H1 THR 12 H THR 12 -0.361 0.269 0.002 2 HA THR 12 HA THR 12 1.766 1.417 -1.421 3 HB THR 12 HB THR 12 3.145 -0.663 -1.771 4 HG1 THR 12 HG1 THR 12 1.654 -1.495 0.510 5 HG21 THR 12 1HG2 THR 12 4.004 1.142 -0.410 6 HG22 THR 12 2HG2 THR 12 4.424 -0.399 0.339 7 HG23 THR 12 3HG2 THR 12 3.096 0.564 0.987 8 H ASP 13 H ASP 13 1.358 1.226 -3.543 9 HA ASP 13 HA ASP 13 -0.249 -1.046 -4.478 10 HB2 ASP 13 2HB ASP 13 -0.790 1.723 -5.509 11 HB3 ASP 13 3HB ASP 13 -1.812 0.291 -5.596 12 H HIS 14 H HIS 14 0.342 -1.856 -6.419 13 HA HIS 14 HA HIS 14 2.386 -0.373 -7.939 14 HB2 HIS 14 2HB HIS 14 3.423 -2.534 -8.508 15 HB3 HIS 14 3HB HIS 14 3.421 -2.252 -6.769 16 HD1 HIS 14 HD1 HIS 14 2.581 -4.747 -9.228 17 HD2 HIS 14 HD2 HIS 14 1.193 -3.711 -5.451 18 HE1 HIS 14 HE1 HIS 14 1.311 -6.755 -8.404 19 H GLN 15 H GLN 15 2.038 -0.135 -10.067 20 HA GLN 15 HA GLN 15 -0.166 -1.674 -11.274 21 HB2 GLN 15 2HB GLN 15 -0.657 0.310 -12.660 22 HB3 GLN 15 3HB GLN 15 -0.865 0.625 -10.943 23 HG2 GLN 15 2HG GLN 15 1.782 1.307 -11.504 24 HG3 GLN 15 3HG GLN 15 0.836 1.931 -12.854 25 HE21 GLN 15 1HE2 GLN 15 2.238 3.360 -10.734 26 HE22 GLN 15 2HE2 GLN 15 1.050 4.337 -9.947 27 H THR 16 H THR 16 0.237 -2.681 -13.153 28 HA THR 16 HA THR 16 2.508 -1.882 -14.793 29 HB THR 16 HB THR 16 2.262 -4.712 -13.755 30 HG1 THR 16 HG1 THR 16 3.935 -2.540 -13.035 31 HG21 THR 16 1HG2 THR 16 4.507 -3.477 -15.342 32 HG22 THR 16 2HG2 THR 16 3.180 -4.371 -16.085 33 HG23 THR 16 3HG2 THR 16 4.263 -5.179 -14.951 34 H VAL 17 H VAL 17 2.092 -2.118 -16.906 35 HA VAL 17 HA VAL 17 -0.285 -3.687 -17.662 36 HB VAL 17 HB VAL 17 0.917 -1.380 -19.194 37 HG11 VAL 17 1HG1 VAL 17 -0.329 -2.309 -20.814 38 HG12 VAL 17 2HG1 VAL 17 -1.263 -3.282 -19.677 39 HG13 VAL 17 3HG1 VAL 17 -1.687 -1.592 -19.948 40 HG21 VAL 17 1HG2 VAL 17 0.119 -0.296 -17.321 41 HG22 VAL 17 2HG2 VAL 17 -1.301 -0.281 -18.367 42 HG23 VAL 17 3HG2 VAL 17 -1.177 -1.465 -17.065 43 H TYR 18 H TYR 18 -0.222 -4.959 -19.532 44 HA TYR 18 HA TYR 18 2.497 -5.622 -20.451 45 HB2 TYR 18 2HB TYR 18 0.073 -7.422 -20.544 46 HB3 TYR 18 3HB TYR 18 1.749 -7.871 -20.835 47 HD1 TYR 18 HD1 TYR 18 3.293 -8.187 -18.988 48 HD2 TYR 18 HD2 TYR 18 -0.753 -7.077 -18.282 49 HE1 TYR 18 HE1 TYR 18 3.551 -8.776 -16.614 50 HE2 TYR 18 HE2 TYR 18 -0.506 -7.661 -15.906 51 HH TYR 18 HH TYR 18 1.800 -7.782 -14.271 52 H VAL 19 H VAL 19 2.982 -5.354 -22.532 53 HA VAL 19 HA VAL 19 0.778 -5.054 -24.464 54 HB VAL 19 HB VAL 19 3.328 -3.437 -24.511 55 HG11 VAL 19 1HG1 VAL 19 0.924 -3.627 -26.262 56 HG12 VAL 19 2HG1 VAL 19 1.742 -2.073 -26.094 57 HG13 VAL 19 3HG1 VAL 19 2.625 -3.475 -26.697 58 HG21 VAL 19 1HG2 VAL 19 2.397 -2.196 -22.908 59 HG22 VAL 19 2HG2 VAL 19 1.222 -1.691 -24.122 60 HG23 VAL 19 3HG2 VAL 19 0.853 -3.036 -23.044 61 H LYS 20 H LYS 20 1.181 -5.764 -26.572 62 HA LYS 20 HA LYS 20 2.659 -8.071 -26.891 63 HB2 LYS 20 2HB LYS 20 2.500 -7.528 -29.392 64 HB3 LYS 20 3HB LYS 20 0.993 -7.668 -28.496 65 HG2 LYS 20 2HG LYS 20 0.569 -5.405 -28.592 66 HG3 LYS 20 3HG LYS 20 2.267 -4.991 -28.839 67 HD2 LYS 20 2HD LYS 20 0.864 -6.609 -30.913 68 HD3 LYS 20 3HD LYS 20 0.535 -4.877 -30.820 69 HE2 LYS 20 2HE LYS 20 3.316 -6.021 -30.970 70 HE3 LYS 20 3HE LYS 20 2.383 -5.572 -32.396 71 HZ1 LYS 20 1HZ LYS 20 3.729 -3.892 -30.469 72 HZ2 LYS 20 2HZ LYS 20 2.177 -3.365 -30.888 73 HZ3 LYS 20 3HZ LYS 20 3.347 -3.591 -32.090 74 HA PRO 21 HA PRO 21 6.863 -6.955 -27.477 75 HB2 PRO 21 2HB PRO 21 7.656 -8.753 -29.349 76 HB3 PRO 21 3HB PRO 21 7.319 -9.198 -27.672 77 HG2 PRO 21 2HG PRO 21 5.579 -9.474 -30.092 78 HG3 PRO 21 3HG PRO 21 5.853 -10.628 -28.774 79 HD2 PRO 21 2HD PRO 21 3.649 -9.060 -28.903 80 HD3 PRO 21 3HD PRO 21 4.378 -9.558 -27.362 81 H VAL 22 H VAL 22 8.466 -6.221 -29.073 82 HA VAL 22 HA VAL 22 7.154 -4.878 -31.341 83 HB VAL 22 HB VAL 22 9.207 -3.374 -31.270 84 HG11 VAL 22 1HG1 VAL 22 6.780 -3.253 -29.953 85 HG12 VAL 22 2HG1 VAL 22 7.958 -2.845 -28.705 86 HG13 VAL 22 3HG1 VAL 22 7.901 -1.916 -30.203 87 HG21 VAL 22 1HG2 VAL 22 10.611 -3.350 -29.411 88 HG22 VAL 22 2HG2 VAL 22 9.507 -4.328 -28.444 89 HG23 VAL 22 3HG2 VAL 22 10.422 -5.069 -29.756 90 HA PRO 23 HA PRO 23 9.572 -7.082 -34.268 91 HB2 PRO 23 2HB PRO 23 9.964 -5.187 -36.173 92 HB3 PRO 23 3HB PRO 23 8.401 -5.967 -35.900 93 HG2 PRO 23 2HG PRO 23 9.376 -3.297 -34.960 94 HG3 PRO 23 3HG PRO 23 7.795 -3.738 -35.631 95 HD2 PRO 23 2HD PRO 23 8.216 -3.437 -32.974 96 HD3 PRO 23 3HD PRO 23 7.044 -4.598 -33.629 97 HA PRO 24 HA PRO 24 13.885 -6.353 -33.815 98 HB2 PRO 24 2HB PRO 24 14.874 -7.072 -36.238 99 HB3 PRO 24 3HB PRO 24 14.249 -8.243 -35.071 100 HG2 PRO 24 2HG PRO 24 12.908 -7.063 -37.473 101 HG3 PRO 24 3HG PRO 24 12.907 -8.742 -36.903 102 HD2 PRO 24 2HD PRO 24 10.837 -7.053 -36.464 103 HD3 PRO 24 3HD PRO 24 11.282 -8.336 -35.320 104 H THR 25 H THR 25 12.175 -4.707 -36.335 105 HA THR 25 HA THR 25 14.389 -2.975 -37.029 106 HB THR 25 HB THR 25 11.594 -2.315 -37.832 107 HG1 THR 25 HG1 THR 25 11.398 -4.037 -39.108 108 HG21 THR 25 1HG2 THR 25 14.309 -1.790 -38.718 109 HG22 THR 25 2HG2 THR 25 12.815 -0.936 -39.101 110 HG23 THR 25 3HG2 THR 25 13.282 -2.358 -40.033 111 H ALA 26 H ALA 26 11.459 -2.841 -35.090 112 HA ALA 26 HA ALA 26 11.329 -0.098 -34.614 113 HB1 ALA 26 1HB ALA 26 10.325 -0.950 -32.337 114 HB2 ALA 26 2HB ALA 26 9.463 -1.187 -33.858 115 HB3 ALA 26 3HB ALA 26 10.387 -2.513 -33.152 116 H THR 27 H THR 27 12.887 1.168 -33.858 117 HA THR 27 HA THR 27 14.924 0.099 -32.076 118 HB THR 27 HB THR 27 16.109 2.183 -32.413 119 HG1 THR 27 HG1 THR 27 13.959 3.076 -34.041 120 HG21 THR 27 1HG2 THR 27 16.768 1.764 -34.553 121 HG22 THR 27 2HG2 THR 27 15.115 1.709 -35.167 122 HG23 THR 27 3HG2 THR 27 15.782 0.324 -34.304 123 H LEU 28 H LEU 28 15.661 1.674 -30.288 124 HA LEU 28 HA LEU 28 13.511 1.941 -28.446 125 HB2 LEU 28 2HB LEU 28 16.269 1.779 -28.291 126 HB3 LEU 28 3HB LEU 28 15.913 3.417 -27.744 127 HG LEU 28 HG LEU 28 14.262 1.314 -26.519 128 HD11 LEU 28 1HD1 LEU 28 16.592 1.246 -24.991 129 HD12 LEU 28 2HD1 LEU 28 17.122 1.001 -26.655 130 HD13 LEU 28 3HD1 LEU 28 15.906 -0.065 -25.952 131 HD21 LEU 28 1HD2 LEU 28 15.768 3.752 -25.614 132 HD22 LEU 28 2HD2 LEU 28 14.998 2.643 -24.478 133 HD23 LEU 28 3HD2 LEU 28 14.024 3.496 -25.677 134 H GLU 29 H GLU 29 15.434 4.244 -30.323 135 HA GLU 29 HA GLU 29 14.301 6.583 -29.210 136 HB2 GLU 29 2HB GLU 29 16.431 6.542 -30.474 137 HB3 GLU 29 3HB GLU 29 15.530 6.206 -31.946 138 HG2 GLU 29 2HG GLU 29 14.385 8.348 -31.745 139 HG3 GLU 29 3HG GLU 29 15.271 8.685 -30.259 140 H GLN 30 H GLN 30 13.470 4.620 -32.029 141 HA GLN 30 HA GLN 30 11.456 6.325 -33.036 142 HB2 GLN 30 2HB GLN 30 12.508 4.543 -34.371 143 HB3 GLN 30 3HB GLN 30 11.748 3.332 -33.347 144 HG2 GLN 30 2HG GLN 30 9.737 3.558 -34.334 145 HG3 GLN 30 3HG GLN 30 9.932 5.292 -34.584 146 HE21 GLN 30 1HE2 GLN 30 11.627 5.865 -36.247 147 HE22 GLN 30 2HE2 GLN 30 11.642 4.917 -37.692 148 H LEU 31 H LEU 31 11.276 3.424 -30.983 149 HA LEU 31 HA LEU 31 8.504 3.359 -30.673 150 HB2 LEU 31 2HB LEU 31 10.798 2.095 -29.496 151 HB3 LEU 31 3HB LEU 31 9.625 2.500 -28.245 152 HG LEU 31 HG LEU 31 8.904 0.937 -30.715 153 HD11 LEU 31 1HD1 LEU 31 10.523 0.101 -28.523 154 HD12 LEU 31 2HD1 LEU 31 9.951 -0.837 -29.902 155 HD13 LEU 31 3HD1 LEU 31 8.970 -0.731 -28.441 156 HD21 LEU 31 1HD2 LEU 31 7.233 2.180 -29.098 157 HD22 LEU 31 2HD2 LEU 31 7.508 0.757 -28.093 158 HD23 LEU 31 3HD2 LEU 31 6.873 0.573 -29.730 159 H THR 32 H THR 32 10.941 4.773 -28.487 160 HA THR 32 HA THR 32 9.201 5.862 -26.618 161 HB THR 32 HB THR 32 11.796 7.144 -27.484 162 HG1 THR 32 HG1 THR 32 11.363 5.020 -25.628 163 HG21 THR 32 1HG2 THR 32 10.503 8.496 -25.939 164 HG22 THR 32 2HG2 THR 32 11.901 7.817 -25.105 165 HG23 THR 32 3HG2 THR 32 10.302 7.116 -24.859 166 H GLU 33 H GLU 33 10.527 7.363 -29.557 167 HA GLU 33 HA GLU 33 9.422 9.888 -29.297 168 HB2 GLU 33 2HB GLU 33 11.050 9.089 -31.062 169 HB3 GLU 33 3HB GLU 33 9.672 8.405 -31.913 170 HG2 GLU 33 2HG GLU 33 8.724 10.540 -32.285 171 HG3 GLU 33 3HG GLU 33 9.853 11.309 -31.171 172 H PHE 34 H PHE 34 8.026 7.077 -30.983 173 HA PHE 34 HA PHE 34 5.618 8.254 -31.736 174 HB2 PHE 34 2HB PHE 34 6.639 5.508 -31.438 175 HB3 PHE 34 3HB PHE 34 4.890 5.657 -31.309 176 HD1 PHE 34 HD1 PHE 34 7.790 6.321 -33.495 177 HD2 PHE 34 HD2 PHE 34 3.553 6.033 -33.211 178 HE1 PHE 34 HE1 PHE 34 7.623 6.404 -35.948 179 HE2 PHE 34 HE2 PHE 34 3.379 6.115 -35.663 180 HZ PHE 34 HZ PHE 34 5.416 6.300 -37.036 181 H PHE 35 H PHE 35 6.443 6.489 -28.773 182 HA PHE 35 HA PHE 35 3.948 6.426 -27.573 183 HB2 PHE 35 2HB PHE 35 6.701 6.096 -26.734 184 HB3 PHE 35 3HB PHE 35 5.749 6.886 -25.482 185 HD1 PHE 35 HD1 PHE 35 3.420 5.758 -24.999 186 HD2 PHE 35 HD2 PHE 35 6.741 3.802 -26.804 187 HE1 PHE 35 HE1 PHE 35 2.499 3.579 -24.322 188 HE2 PHE 35 HE2 PHE 35 5.826 1.620 -26.131 189 HZ PHE 35 HZ PHE 35 3.702 1.506 -24.889 190 H SER 36 H SER 36 6.473 8.911 -27.191 191 HA SER 36 HA SER 36 5.040 10.624 -25.522 192 HB2 SER 36 2HB SER 36 7.513 10.688 -26.957 193 HB3 SER 36 3HB SER 36 6.670 12.213 -27.230 194 HG SER 36 HG SER 36 6.355 12.082 -24.804 195 H LYS 37 H LYS 37 4.990 10.247 -29.004 196 HA LYS 37 HA LYS 37 3.632 12.613 -29.673 197 HB2 LYS 37 2HB LYS 37 4.768 10.759 -31.160 198 HB3 LYS 37 3HB LYS 37 3.146 10.081 -31.190 199 HG2 LYS 37 2HG LYS 37 2.558 12.606 -31.830 200 HG3 LYS 37 3HG LYS 37 4.206 12.528 -32.457 201 HD2 LYS 37 2HD LYS 37 2.922 10.141 -33.235 202 HD3 LYS 37 3HD LYS 37 1.797 11.459 -33.574 203 HE2 LYS 37 2HE LYS 37 4.668 11.293 -34.486 204 HE3 LYS 37 3HE LYS 37 3.246 11.010 -35.489 205 HZ1 LYS 37 1HZ LYS 37 3.048 13.517 -34.196 206 HZ2 LYS 37 2HZ LYS 37 3.062 13.173 -35.852 207 HZ3 LYS 37 3HZ LYS 37 4.518 13.421 -35.027 208 H HIS 38 H HIS 38 2.485 9.472 -28.586 209 HA HIS 38 HA HIS 38 -0.128 10.652 -28.051 210 HB2 HIS 38 2HB HIS 38 -0.109 9.490 -30.344 211 HB3 HIS 38 3HB HIS 38 0.024 7.984 -29.441 212 HD1 HIS 38 HD1 HIS 38 -2.327 7.349 -30.463 213 HD2 HIS 38 HD2 HIS 38 -2.336 10.597 -27.872 214 HE1 HIS 38 HE1 HIS 38 -4.740 7.718 -29.855 215 H GLY 39 H GLY 39 -0.355 10.338 -25.935 216 HA2 GLY 39 2HA GLY 39 -0.926 8.888 -24.135 217 HA3 GLY 39 3HA GLY 39 0.035 7.624 -24.887 218 H THR 40 H THR 40 0.005 8.958 -22.151 219 HA THR 40 HA THR 40 2.832 9.779 -22.071 220 HB THR 40 HB THR 40 1.068 10.228 -19.717 221 HG1 THR 40 HG1 THR 40 0.499 12.305 -20.837 222 HG21 THR 40 1HG2 THR 40 3.490 10.834 -19.785 223 HG22 THR 40 2HG2 THR 40 2.422 12.197 -19.451 224 HG23 THR 40 3HG2 THR 40 3.115 11.993 -21.059 225 H VAL 41 H VAL 41 4.160 8.222 -21.431 226 HA VAL 41 HA VAL 41 3.206 6.297 -19.411 227 HB VAL 41 HB VAL 41 4.764 4.665 -20.315 228 HG11 VAL 41 1HG1 VAL 41 2.404 5.213 -21.342 229 HG12 VAL 41 2HG1 VAL 41 3.368 5.647 -22.755 230 HG13 VAL 41 3HG1 VAL 41 3.464 4.017 -22.086 231 HG21 VAL 41 1HG2 VAL 41 6.544 6.052 -21.090 232 HG22 VAL 41 2HG2 VAL 41 5.924 5.160 -22.479 233 HG23 VAL 41 3HG2 VAL 41 5.489 6.854 -22.254 234 H GLN 42 H GLN 42 4.592 5.717 -17.733 235 HA GLN 42 HA GLN 42 6.460 7.755 -16.953 236 HB2 GLN 42 2HB GLN 42 4.837 6.098 -15.555 237 HB3 GLN 42 3HB GLN 42 6.363 5.236 -15.411 238 HG2 GLN 42 2HG GLN 42 6.744 8.038 -14.907 239 HG3 GLN 42 3HG GLN 42 5.468 7.389 -13.879 240 HE21 GLN 42 1HE2 GLN 42 6.155 6.677 -12.005 241 HE22 GLN 42 2HE2 GLN 42 7.706 5.990 -11.674 242 H ALA 43 H ALA 43 6.741 4.236 -17.467 243 HA ALA 43 HA ALA 43 9.318 4.565 -18.712 244 HB1 ALA 43 1HB ALA 43 9.843 4.645 -16.280 245 HB2 ALA 43 2HB ALA 43 9.196 3.010 -16.134 246 HB3 ALA 43 3HB ALA 43 10.615 3.311 -17.138 247 H VAL 44 H VAL 44 10.247 2.415 -19.356 248 HA VAL 44 HA VAL 44 8.306 0.242 -19.487 249 HB VAL 44 HB VAL 44 7.801 1.551 -21.483 250 HG11 VAL 44 1HG1 VAL 44 10.681 1.113 -22.264 251 HG12 VAL 44 2HG1 VAL 44 9.444 1.930 -23.221 252 HG13 VAL 44 3HG1 VAL 44 10.001 2.641 -21.705 253 HG21 VAL 44 1HG2 VAL 44 7.744 -0.953 -21.511 254 HG22 VAL 44 2HG2 VAL 44 7.945 -0.204 -23.095 255 HG23 VAL 44 3HG2 VAL 44 9.333 -0.920 -22.275 256 H TRP 45 H TRP 45 9.216 -1.775 -19.769 257 HA TRP 45 HA TRP 45 11.962 -2.116 -20.520 258 HB2 TRP 45 2HB TRP 45 11.890 -1.349 -18.022 259 HB3 TRP 45 3HB TRP 45 11.356 -3.000 -17.718 260 HD1 TRP 45 HD1 TRP 45 13.338 -4.385 -16.909 261 HE1 TRP 45 HE1 TRP 45 15.829 -4.592 -17.524 262 HE3 TRP 45 HE3 TRP 45 13.591 -0.753 -20.498 263 HZ2 TRP 45 HZ2 TRP 45 17.659 -3.375 -19.296 264 HZ3 TRP 45 HZ3 TRP 45 15.749 -0.337 -21.604 265 HH2 TRP 45 HH2 TRP 45 17.740 -1.621 -21.014 266 H ARG 46 H ARG 46 12.632 -4.463 -20.251 267 HA ARG 46 HA ARG 46 10.494 -6.384 -19.992 268 HB2 ARG 46 2HB ARG 46 10.792 -7.307 -22.275 269 HB3 ARG 46 3HB ARG 46 10.104 -5.689 -22.273 270 HG2 ARG 46 2HG ARG 46 13.049 -5.970 -22.548 271 HG3 ARG 46 3HG ARG 46 12.026 -6.363 -23.931 272 HD2 ARG 46 2HD ARG 46 11.120 -3.917 -22.778 273 HD3 ARG 46 3HD ARG 46 12.862 -3.815 -23.029 274 HE ARG 46 HE ARG 46 11.873 -4.836 -25.368 275 HH11 ARG 46 1HH1 ARG 46 11.309 -1.971 -23.472 276 HH12 ARG 46 2HH1 ARG 46 10.894 -0.990 -24.838 277 HH21 ARG 46 1HH2 ARG 46 11.330 -3.555 -27.175 278 HH22 ARG 46 2HH2 ARG 46 10.906 -1.892 -26.944 279 H ARG 47 H ARG 47 11.234 -8.429 -19.568 280 HA ARG 47 HA ARG 47 14.087 -8.983 -19.892 281 HB2 ARG 47 2HB ARG 47 14.202 -9.857 -17.560 282 HB3 ARG 47 3HB ARG 47 13.974 -8.116 -17.652 283 HG2 ARG 47 2HG ARG 47 11.518 -9.736 -17.463 284 HG3 ARG 47 3HG ARG 47 12.559 -9.715 -16.038 285 HD2 ARG 47 2HD ARG 47 12.561 -7.115 -16.531 286 HD3 ARG 47 3HD ARG 47 11.033 -7.508 -17.320 287 HE ARG 47 HE ARG 47 11.041 -8.680 -14.781 288 HH11 ARG 47 1HH1 ARG 47 10.988 -5.521 -16.242 289 HH12 ARG 47 2HH1 ARG 47 10.125 -4.786 -14.931 290 HH21 ARG 47 1HH2 ARG 47 9.905 -7.725 -13.049 291 HH22 ARG 47 2HH2 ARG 47 9.510 -6.040 -13.116 292 H TYR 48 H TYR 48 14.597 -11.295 -19.470 293 HA TYR 48 HA TYR 48 12.342 -13.127 -19.637 294 HB2 TYR 48 2HB TYR 48 13.356 -14.259 -21.642 295 HB3 TYR 48 3HB TYR 48 12.667 -12.672 -21.964 296 HD1 TYR 48 HD1 TYR 48 15.660 -14.695 -22.006 297 HD2 TYR 48 HD2 TYR 48 14.191 -10.710 -22.254 298 HE1 TYR 48 HE1 TYR 48 17.798 -13.975 -22.986 299 HE2 TYR 48 HE2 TYR 48 16.324 -9.979 -23.236 300 HH TYR 48 HH TYR 48 18.993 -12.268 -23.745 301 H PHE 49 H PHE 49 12.732 -14.762 -18.313 302 HA PHE 49 HA PHE 49 15.424 -15.240 -17.348 303 HB2 PHE 49 2HB PHE 49 12.913 -15.404 -16.190 304 HB3 PHE 49 3HB PHE 49 13.368 -17.090 -16.413 305 HD1 PHE 49 HD1 PHE 49 14.447 -13.891 -14.906 306 HD2 PHE 49 HD2 PHE 49 14.941 -18.117 -15.007 307 HE1 PHE 49 HE1 PHE 49 15.850 -13.771 -12.888 308 HE2 PHE 49 HE2 PHE 49 16.343 -18.005 -12.989 309 HZ PHE 49 HZ PHE 49 16.799 -15.830 -11.926 310 H ALA 50 H ALA 50 16.748 -16.682 -18.213 311 HA ALA 50 HA ALA 50 15.820 -18.538 -20.209 312 HB1 ALA 50 1HB ALA 50 17.907 -17.508 -20.645 313 HB2 ALA 50 2HB ALA 50 18.540 -17.958 -19.061 314 HB3 ALA 50 3HB ALA 50 18.252 -19.199 -20.280 315 H GLY 51 H GLY 51 16.722 -18.653 -16.840 316 HA2 GLY 51 2HA GLY 51 16.228 -20.330 -15.308 317 HA3 GLY 51 3HA GLY 51 15.680 -21.342 -16.635 318 H LYS 52 H LYS 52 18.028 -20.955 -14.327 319 HA LYS 52 HA LYS 52 19.709 -22.963 -15.623 320 HB2 LYS 52 2HB LYS 52 20.692 -20.683 -16.046 321 HB3 LYS 52 3HB LYS 52 20.895 -20.516 -14.307 322 HG2 LYS 52 2HG LYS 52 22.858 -21.517 -14.473 323 HG3 LYS 52 3HG LYS 52 22.041 -22.986 -15.012 324 HD2 LYS 52 2HD LYS 52 22.300 -22.418 -17.284 325 HD3 LYS 52 3HD LYS 52 22.718 -20.746 -16.901 326 HE2 LYS 52 2HE LYS 52 24.450 -22.905 -15.819 327 HE3 LYS 52 3HE LYS 52 24.557 -22.547 -17.542 328 HZ1 LYS 52 1HZ LYS 52 24.632 -20.278 -15.713 329 HZ2 LYS 52 2HZ LYS 52 25.470 -20.529 -17.160 330 HZ3 LYS 52 3HZ LYS 52 25.996 -21.279 -15.738 331 H LYS 53 H LYS 53 18.008 -23.714 -13.770 332 HA LYS 53 HA LYS 53 19.720 -24.370 -11.511 333 HB2 LYS 53 2HB LYS 53 17.998 -23.790 -9.855 334 HB3 LYS 53 3HB LYS 53 18.556 -22.373 -10.734 335 HG2 LYS 53 2HG LYS 53 16.215 -23.682 -11.911 336 HG3 LYS 53 3HG LYS 53 15.955 -23.012 -10.298 337 HD2 LYS 53 2HD LYS 53 16.532 -20.840 -10.992 338 HD3 LYS 53 3HD LYS 53 17.266 -21.424 -12.487 339 HE2 LYS 53 2HE LYS 53 15.323 -20.906 -13.459 340 HE3 LYS 53 3HE LYS 53 14.682 -22.344 -12.668 341 HZ1 LYS 53 1HZ LYS 53 13.348 -21.074 -11.467 342 HZ2 LYS 53 2HZ LYS 53 13.901 -19.704 -12.290 343 HZ3 LYS 53 3HZ LYS 53 14.654 -20.191 -10.855 344 H ASP 54 H ASP 54 18.399 -25.913 -9.987 345 HA ASP 54 HA ASP 54 17.228 -27.945 -11.740 346 HB2 ASP 54 2HB ASP 54 18.233 -28.163 -8.893 347 HB3 ASP 54 3HB ASP 54 17.640 -29.501 -9.873 348 H ALA 55 H ALA 55 15.763 -25.561 -10.799 349 HA ALA 55 HA ALA 55 13.648 -26.900 -9.241 350 HB1 ALA 55 1HB ALA 55 14.988 -24.540 -8.658 351 HB2 ALA 55 2HB ALA 55 13.429 -24.017 -9.295 352 HB3 ALA 55 3HB ALA 55 13.495 -25.117 -7.919 353 HA PRO 56 HA PRO 56 10.770 -26.356 -12.508 354 HB2 PRO 56 2HB PRO 56 8.499 -25.687 -11.180 355 HB3 PRO 56 3HB PRO 56 9.188 -27.315 -11.146 356 HG2 PRO 56 2HG PRO 56 9.411 -25.120 -9.122 357 HG3 PRO 56 3HG PRO 56 9.127 -26.852 -8.868 358 HD2 PRO 56 2HD PRO 56 11.560 -25.711 -8.538 359 HD3 PRO 56 3HD PRO 56 11.358 -27.381 -9.105 360 HA PRO 57 HA PRO 57 10.305 -22.165 -13.753 361 HB2 PRO 57 2HB PRO 57 7.928 -22.187 -15.064 362 HB3 PRO 57 3HB PRO 57 9.391 -22.938 -15.714 363 HG2 PRO 57 2HG PRO 57 7.082 -24.206 -14.290 364 HG3 PRO 57 3HG PRO 57 7.955 -24.767 -15.728 365 HD2 PRO 57 2HD PRO 57 8.421 -25.771 -13.257 366 HD3 PRO 57 3HD PRO 57 9.693 -25.637 -14.488 367 H GLU 58 H GLU 58 10.082 -20.902 -11.940 368 HA GLU 58 HA GLU 58 7.450 -20.690 -10.684 369 HB2 GLU 58 2HB GLU 58 9.672 -20.917 -9.394 370 HB3 GLU 58 3HB GLU 58 9.928 -19.228 -9.809 371 HG2 GLU 58 2HG GLU 58 8.842 -18.764 -7.930 372 HG3 GLU 58 3HG GLU 58 7.380 -19.216 -8.804 373 H SER 59 H SER 59 9.869 -18.699 -12.327 374 HA SER 59 HA SER 59 8.135 -16.372 -12.258 375 HB2 SER 59 2HB SER 59 10.442 -16.103 -13.991 376 HB3 SER 59 3HB SER 59 10.038 -15.212 -12.523 377 HG SER 59 HG SER 59 11.799 -16.257 -11.899 378 H ARG 60 H ARG 60 7.801 -15.145 -14.334 379 HA ARG 60 HA ARG 60 6.990 -17.034 -16.437 380 HB2 ARG 60 2HB ARG 60 5.941 -14.281 -15.759 381 HB3 ARG 60 3HB ARG 60 5.416 -15.231 -17.143 382 HG2 ARG 60 2HG ARG 60 5.186 -16.187 -14.302 383 HG3 ARG 60 3HG ARG 60 3.909 -15.307 -15.143 384 HD2 ARG 60 2HD ARG 60 4.055 -17.091 -16.937 385 HD3 ARG 60 3HD ARG 60 5.060 -18.004 -15.812 386 HE ARG 60 HE ARG 60 2.212 -17.618 -15.676 387 HH11 ARG 60 1HH1 ARG 60 5.099 -18.367 -13.880 388 HH12 ARG 60 2HH1 ARG 60 4.254 -19.201 -12.618 389 HH21 ARG 60 1HH2 ARG 60 1.088 -18.713 -14.021 390 HH22 ARG 60 2HH2 ARG 60 1.973 -19.398 -12.699 391 H THR 61 H THR 61 8.087 -17.014 -18.276 392 HA THR 61 HA THR 61 9.638 -14.603 -18.963 393 HB THR 61 HB THR 61 11.187 -16.357 -18.570 394 HG1 THR 61 HG1 THR 61 12.103 -15.705 -20.358 395 HG21 THR 61 1HG2 THR 61 9.075 -18.023 -19.640 396 HG22 THR 61 2HG2 THR 61 10.452 -18.465 -18.630 397 HG23 THR 61 3HG2 THR 61 10.630 -18.397 -20.383 398 H LYS 62 H LYS 62 8.464 -13.498 -20.412 399 HA LYS 62 HA LYS 62 7.657 -14.905 -22.856 400 HB2 LYS 62 2HB LYS 62 5.606 -13.336 -22.852 401 HB3 LYS 62 3HB LYS 62 5.570 -14.760 -21.821 402 HG2 LYS 62 2HG LYS 62 6.608 -12.274 -20.608 403 HG3 LYS 62 3HG LYS 62 4.882 -12.327 -20.975 404 HD2 LYS 62 2HD LYS 62 6.053 -14.687 -19.616 405 HD3 LYS 62 3HD LYS 62 5.891 -13.208 -18.667 406 HE2 LYS 62 2HE LYS 62 3.809 -13.954 -18.275 407 HE3 LYS 62 3HE LYS 62 3.467 -13.323 -19.886 408 HZ1 LYS 62 1HZ LYS 62 3.149 -15.912 -19.042 409 HZ2 LYS 62 2HZ LYS 62 4.543 -15.958 -19.999 410 HZ3 LYS 62 3HZ LYS 62 3.095 -15.362 -20.641 411 HA PRO 63 HA PRO 63 9.470 -11.540 -25.012 412 HB2 PRO 63 2HB PRO 63 7.861 -11.340 -27.189 413 HB3 PRO 63 3HB PRO 63 9.001 -12.671 -26.956 414 HG2 PRO 63 2HG PRO 63 6.052 -12.590 -26.445 415 HG3 PRO 63 3HG PRO 63 7.022 -13.868 -27.200 416 HD2 PRO 63 2HD PRO 63 6.207 -13.989 -24.620 417 HD3 PRO 63 3HD PRO 63 7.740 -14.695 -25.171 418 H SER 64 H SER 64 6.162 -11.350 -24.017 419 HA SER 64 HA SER 64 5.392 -8.844 -24.894 420 HB2 SER 64 2HB SER 64 4.730 -10.446 -22.445 421 HB3 SER 64 3HB SER 64 4.102 -8.807 -22.617 422 HG SER 64 HG SER 64 2.947 -9.416 -24.359 423 H VAL 65 H VAL 65 5.457 -6.763 -23.970 424 HA VAL 65 HA VAL 65 7.809 -6.315 -22.261 425 HB VAL 65 HB VAL 65 7.743 -3.979 -23.102 426 HG11 VAL 65 1HG1 VAL 65 9.182 -5.671 -24.145 427 HG12 VAL 65 2HG1 VAL 65 7.883 -6.072 -25.270 428 HG13 VAL 65 3HG1 VAL 65 8.625 -4.473 -25.313 429 HG21 VAL 65 1HG2 VAL 65 5.176 -4.567 -23.852 430 HG22 VAL 65 2HG2 VAL 65 6.099 -3.162 -24.387 431 HG23 VAL 65 3HG2 VAL 65 6.039 -4.612 -25.390 432 H PHE 66 H PHE 66 7.700 -4.852 -20.526 433 HA PHE 66 HA PHE 66 4.986 -4.491 -19.460 434 HB2 PHE 66 2HB PHE 66 7.567 -4.324 -17.905 435 HB3 PHE 66 3HB PHE 66 5.934 -4.498 -17.269 436 HD1 PHE 66 HD1 PHE 66 8.754 -6.200 -17.304 437 HD2 PHE 66 HD2 PHE 66 4.807 -6.645 -18.833 438 HE1 PHE 66 HE1 PHE 66 9.027 -8.645 -17.288 439 HE2 PHE 66 HE2 PHE 66 5.073 -9.091 -18.819 440 HZ PHE 66 HZ PHE 66 7.185 -10.094 -18.045 441 H VAL 67 H VAL 67 4.178 -2.514 -19.113 442 HA VAL 67 HA VAL 67 6.011 -0.212 -19.214 443 HB VAL 67 HB VAL 67 4.276 1.058 -20.452 444 HG11 VAL 67 1HG1 VAL 67 5.720 -1.275 -21.567 445 HG12 VAL 67 2HG1 VAL 67 4.537 -0.485 -22.610 446 HG13 VAL 67 3HG1 VAL 67 5.880 0.441 -21.938 447 HG21 VAL 67 1HG2 VAL 67 2.918 -1.617 -20.452 448 HG22 VAL 67 2HG2 VAL 67 2.261 -0.043 -20.003 449 HG23 VAL 67 3HG2 VAL 67 2.584 -0.413 -21.696 450 H VAL 68 H VAL 68 5.571 1.451 -17.832 451 HA VAL 68 HA VAL 68 3.250 1.100 -16.047 452 HB VAL 68 HB VAL 68 5.897 2.336 -15.286 453 HG11 VAL 68 1HG1 VAL 68 3.289 2.144 -14.013 454 HG12 VAL 68 2HG1 VAL 68 4.591 1.509 -13.005 455 HG13 VAL 68 3HG1 VAL 68 4.671 3.163 -13.613 456 HG21 VAL 68 1HG2 VAL 68 6.598 0.186 -15.366 457 HG22 VAL 68 2HG2 VAL 68 5.780 0.097 -13.806 458 HG23 VAL 68 3HG2 VAL 68 4.962 -0.466 -15.263 459 H PHE 69 H PHE 69 1.791 2.643 -16.322 460 HA PHE 69 HA PHE 69 2.475 5.142 -17.592 461 HB2 PHE 69 2HB PHE 69 -0.148 4.100 -16.505 462 HB3 PHE 69 3HB PHE 69 0.037 5.617 -17.379 463 HD1 PHE 69 HD1 PHE 69 -0.034 5.665 -19.707 464 HD2 PHE 69 HD2 PHE 69 0.488 1.950 -17.697 465 HE1 PHE 69 HE1 PHE 69 -0.331 4.474 -21.839 466 HE2 PHE 69 HE2 PHE 69 0.193 0.753 -19.826 467 HZ PHE 69 HZ PHE 69 -0.216 2.014 -21.901 468 H ASN 70 H ASN 70 2.423 7.175 -16.690 469 HA ASN 70 HA ASN 70 2.797 7.268 -13.813 470 HB2 ASN 70 2HB ASN 70 4.249 8.478 -15.563 471 HB3 ASN 70 3HB ASN 70 2.923 9.630 -15.676 472 HD21 ASN 70 1HD2 ASN 70 4.474 11.192 -14.942 473 HD22 ASN 70 2HD2 ASN 70 4.813 11.338 -13.254 474 H SER 71 H SER 71 0.658 8.710 -16.247 475 HA SER 71 HA SER 71 -0.922 10.086 -14.278 476 HB2 SER 71 2HB SER 71 -1.405 9.590 -17.225 477 HB3 SER 71 3HB SER 71 -2.393 10.637 -16.206 478 HG SER 71 HG SER 71 -0.956 12.139 -16.448 479 H SER 72 H SER 72 -2.703 9.400 -13.263 480 HA SER 72 HA SER 72 -3.402 6.677 -13.234 481 HB2 SER 72 2HB SER 72 -5.444 7.526 -11.944 482 HB3 SER 72 3HB SER 72 -3.863 7.921 -11.270 483 HG SER 72 HG SER 72 -4.240 9.965 -11.607 484 H GLU 73 H GLU 73 -5.072 9.484 -14.643 485 HA GLU 73 HA GLU 73 -7.291 8.152 -15.665 486 HB2 GLU 73 2HB GLU 73 -6.108 10.745 -15.909 487 HB3 GLU 73 3HB GLU 73 -6.572 10.186 -17.510 488 HG2 GLU 73 2HG GLU 73 -8.840 9.865 -16.808 489 HG3 GLU 73 3HG GLU 73 -8.417 10.220 -15.134 490 H GLU 74 H GLU 74 -4.285 9.009 -17.386 491 HA GLU 74 HA GLU 74 -4.905 7.654 -19.763 492 HB2 GLU 74 2HB GLU 74 -2.861 9.277 -18.912 493 HB3 GLU 74 3HB GLU 74 -2.053 7.725 -19.077 494 HG2 GLU 74 2HG GLU 74 -1.766 8.437 -21.190 495 HG3 GLU 74 3HG GLU 74 -3.380 7.758 -21.394 496 H ALA 75 H ALA 75 -3.419 6.572 -16.776 497 HA ALA 75 HA ALA 75 -2.385 4.121 -17.650 498 HB1 ALA 75 1HB ALA 75 -2.543 3.441 -15.266 499 HB2 ALA 75 2HB ALA 75 -1.767 5.007 -15.507 500 HB3 ALA 75 3HB ALA 75 -3.436 4.928 -14.943 501 H GLU 76 H GLU 76 -5.560 4.893 -16.238 502 HA GLU 76 HA GLU 76 -6.557 2.242 -16.418 503 HB2 GLU 76 2HB GLU 76 -7.703 4.924 -15.840 504 HB3 GLU 76 3HB GLU 76 -8.821 3.660 -16.334 505 HG2 GLU 76 2HG GLU 76 -7.178 2.486 -14.407 506 HG3 GLU 76 3HG GLU 76 -7.554 4.095 -13.794 507 H ALA 77 H ALA 77 -6.854 5.096 -18.491 508 HA ALA 77 HA ALA 77 -8.698 4.155 -20.332 509 HB1 ALA 77 1HB ALA 77 -6.464 5.715 -21.454 510 HB2 ALA 77 2HB ALA 77 -8.203 6.002 -21.527 511 HB3 ALA 77 3HB ALA 77 -7.297 6.440 -20.078 512 H PHE 78 H PHE 78 -5.160 3.801 -20.372 513 HA PHE 78 HA PHE 78 -5.116 2.279 -22.779 514 HB2 PHE 78 2HB PHE 78 -3.127 2.957 -20.652 515 HB3 PHE 78 3HB PHE 78 -2.753 1.656 -21.777 516 HD1 PHE 78 HD1 PHE 78 -1.567 2.206 -23.655 517 HD2 PHE 78 HD2 PHE 78 -4.060 5.151 -21.859 518 HE1 PHE 78 HE1 PHE 78 -0.805 3.857 -25.313 519 HE2 PHE 78 HE2 PHE 78 -3.303 6.806 -23.515 520 HZ PHE 78 HZ PHE 78 -1.674 6.160 -25.245 521 H GLN 79 H GLN 79 -5.072 1.458 -19.343 522 HA GLN 79 HA GLN 79 -4.541 -1.250 -19.484 523 HB2 GLN 79 2HB GLN 79 -5.570 0.573 -17.541 524 HB3 GLN 79 3HB GLN 79 -6.558 -0.882 -17.516 525 HG2 GLN 79 2HG GLN 79 -4.744 -2.246 -16.963 526 HG3 GLN 79 3HG GLN 79 -3.568 -1.018 -17.428 527 HE21 GLN 79 1HE2 GLN 79 -6.446 -0.913 -15.362 528 HE22 GLN 79 2HE2 GLN 79 -5.628 -0.327 -13.957 529 H LYS 80 H LYS 80 -7.712 0.356 -19.648 530 HA LYS 80 HA LYS 80 -9.263 -1.950 -19.962 531 HB2 LYS 80 2HB LYS 80 -10.149 0.319 -19.452 532 HB3 LYS 80 3HB LYS 80 -9.814 0.791 -21.112 533 HG2 LYS 80 2HG LYS 80 -11.328 -1.157 -21.780 534 HG3 LYS 80 3HG LYS 80 -11.850 -1.157 -20.093 535 HD2 LYS 80 2HD LYS 80 -13.303 0.446 -20.612 536 HD3 LYS 80 3HD LYS 80 -11.935 1.520 -20.914 537 HE2 LYS 80 2HE LYS 80 -12.103 1.319 -23.166 538 HE3 LYS 80 3HE LYS 80 -12.647 -0.355 -23.085 539 HZ1 LYS 80 1HZ LYS 80 -14.262 2.092 -22.655 540 HZ2 LYS 80 2HZ LYS 80 -14.814 0.544 -22.254 541 HZ3 LYS 80 3HZ LYS 80 -14.455 0.923 -23.863 542 H ALA 81 H ALA 81 -8.506 0.373 -22.560 543 HA ALA 81 HA ALA 81 -8.292 -1.912 -24.409 544 HB1 ALA 81 1HB ALA 81 -10.157 -1.107 -25.350 545 HB2 ALA 81 2HB ALA 81 -10.004 0.456 -24.548 546 HB3 ALA 81 3HB ALA 81 -9.098 0.131 -26.026 547 HA PRO 82 HA PRO 82 -4.433 -0.336 -25.778 548 HB2 PRO 82 2HB PRO 82 -4.512 -0.831 -28.446 549 HB3 PRO 82 3HB PRO 82 -4.334 -2.108 -27.237 550 HG2 PRO 82 2HG PRO 82 -6.789 -1.211 -28.697 551 HG3 PRO 82 3HG PRO 82 -6.237 -2.858 -28.343 552 HD2 PRO 82 2HD PRO 82 -8.161 -1.622 -26.893 553 HD3 PRO 82 3HD PRO 82 -7.034 -2.794 -26.181 554 HA PRO 83 HA PRO 83 -4.674 3.761 -27.357 555 HB2 PRO 83 2HB PRO 83 -2.403 3.973 -28.829 556 HB3 PRO 83 3HB PRO 83 -2.401 3.917 -27.062 557 HG2 PRO 83 2HG PRO 83 -1.864 1.723 -29.027 558 HG3 PRO 83 3HG PRO 83 -1.005 2.116 -27.527 559 HD2 PRO 83 2HD PRO 83 -2.825 0.117 -27.683 560 HD3 PRO 83 3HD PRO 83 -2.577 1.069 -26.205 561 H MET 84 H MET 84 -4.000 1.261 -29.763 562 HA MET 84 HA MET 84 -4.698 0.974 -31.908 563 HB2 MET 84 2HB MET 84 -6.835 2.346 -30.576 564 HB3 MET 84 3HB MET 84 -6.723 2.925 -32.232 565 HG2 MET 84 2HG MET 84 -6.480 0.098 -32.264 566 HG3 MET 84 3HG MET 84 -7.870 0.527 -31.269 567 HE1 MET 84 1HE MET 84 -9.443 -0.849 -33.478 568 HE2 MET 84 2HE MET 84 -8.792 -0.535 -35.087 569 HE3 MET 84 3HE MET 84 -7.739 -1.156 -33.815 570 H TYR 85 H TYR 85 -2.885 1.720 -32.957 571 HA TYR 85 HA TYR 85 -2.987 4.519 -33.874 572 HB2 TYR 85 2HB TYR 85 -0.972 3.335 -32.401 573 HB3 TYR 85 3HB TYR 85 -0.368 3.233 -34.051 574 HD1 TYR 85 HD1 TYR 85 0.203 5.038 -31.356 575 HD2 TYR 85 HD2 TYR 85 -1.331 5.692 -35.270 576 HE1 TYR 85 HE1 TYR 85 0.913 7.390 -31.235 577 HE2 TYR 85 HE2 TYR 85 -0.624 8.046 -35.160 578 HH TYR 85 HH TYR 85 0.793 9.491 -34.009 579 H ASP 86 H ASP 86 -3.192 4.813 -35.990 580 HA ASP 86 HA ASP 86 -3.627 2.777 -37.815 581 HB2 ASP 86 2HB ASP 86 -3.341 5.662 -37.900 582 HB3 ASP 86 3HB ASP 86 -2.655 4.911 -39.338 583 H ASP 87 H ASP 87 -0.646 4.591 -37.184 584 HA ASP 87 HA ASP 87 0.962 3.578 -39.189 585 HB2 ASP 87 2HB ASP 87 1.412 4.753 -36.519 586 HB3 ASP 87 3HB ASP 87 2.738 3.770 -37.136 587 H VAL 88 H VAL 88 0.882 2.346 -35.839 588 HA VAL 88 HA VAL 88 1.365 -0.351 -36.911 589 HB VAL 88 HB VAL 88 2.694 0.779 -34.445 590 HG11 VAL 88 1HG1 VAL 88 2.249 -1.598 -34.260 591 HG12 VAL 88 2HG1 VAL 88 2.996 -1.883 -35.833 592 HG13 VAL 88 3HG1 VAL 88 3.976 -1.319 -34.480 593 HG21 VAL 88 1HG2 VAL 88 4.787 0.507 -35.802 594 HG22 VAL 88 2HG2 VAL 88 3.762 0.258 -37.215 595 HG23 VAL 88 3HG2 VAL 88 3.711 1.793 -36.349 596 H GLN 89 H GLN 89 0.005 -1.845 -36.162 597 HA GLN 89 HA GLN 89 -2.131 -1.178 -34.447 598 HB2 GLN 89 2HB GLN 89 -1.335 -3.416 -36.056 599 HB3 GLN 89 3HB GLN 89 -1.853 -3.991 -34.477 600 HG2 GLN 89 2HG GLN 89 -3.981 -2.888 -34.725 601 HG3 GLN 89 3HG GLN 89 -3.465 -2.173 -36.252 602 HE21 GLN 89 1HE2 GLN 89 -2.775 -3.787 -37.931 603 HE22 GLN 89 2HE2 GLN 89 -3.731 -5.218 -38.080 604 H LEU 90 H LEU 90 -2.171 -1.023 -32.312 605 HA LEU 90 HA LEU 90 -0.029 -2.287 -30.758 606 HB2 LEU 90 2HB LEU 90 -1.370 0.234 -30.634 607 HB3 LEU 90 3HB LEU 90 -1.625 -0.630 -29.120 608 HG LEU 90 HG LEU 90 0.282 0.813 -28.897 609 HD11 LEU 90 1HD1 LEU 90 1.920 -0.755 -28.156 610 HD12 LEU 90 2HD1 LEU 90 1.290 -2.005 -29.229 611 HD13 LEU 90 3HD1 LEU 90 0.329 -1.455 -27.857 612 HD21 LEU 90 1HD2 LEU 90 1.338 -0.594 -31.344 613 HD22 LEU 90 2HD2 LEU 90 2.291 0.475 -30.315 614 HD23 LEU 90 3HD2 LEU 90 0.902 1.108 -31.199 615 H THR 91 H THR 91 -0.420 -3.792 -29.223 616 HA THR 91 HA THR 91 -3.230 -4.479 -28.664 617 HB THR 91 HB THR 91 -1.074 -6.572 -28.826 618 HG1 THR 91 HG1 THR 91 -1.548 -6.866 -30.960 619 HG21 THR 91 1HG2 THR 91 -2.826 -7.648 -27.870 620 HG22 THR 91 2HG2 THR 91 -3.379 -7.767 -29.540 621 HG23 THR 91 3HG2 THR 91 -4.009 -6.498 -28.491 622 H ALA 92 H ALA 92 -3.448 -3.751 -26.622 623 HA ALA 92 HA ALA 92 -1.414 -4.553 -24.648 624 HB1 ALA 92 1HB ALA 92 -1.479 -2.479 -23.870 625 HB2 ALA 92 2HB ALA 92 -2.622 -2.051 -25.144 626 HB3 ALA 92 3HB ALA 92 -3.214 -2.617 -23.582 627 H GLU 93 H GLU 93 -2.025 -5.574 -22.763 628 HA GLU 93 HA GLU 93 -4.812 -6.528 -22.684 629 HB2 GLU 93 2HB GLU 93 -2.220 -7.903 -22.281 630 HB3 GLU 93 3HB GLU 93 -3.518 -8.359 -21.186 631 HG2 GLU 93 2HG GLU 93 -3.972 -8.298 -24.139 632 HG3 GLU 93 3HG GLU 93 -3.187 -9.679 -23.374 633 H MET 94 H MET 94 -5.511 -7.206 -20.437 634 HA MET 94 HA MET 94 -4.696 -5.111 -18.548 635 HB2 MET 94 2HB MET 94 -7.179 -5.675 -19.412 636 HB3 MET 94 3HB MET 94 -7.111 -6.749 -18.020 637 HG2 MET 94 2HG MET 94 -6.375 -4.730 -16.680 638 HG3 MET 94 3HG MET 94 -6.842 -3.763 -18.076 639 HE1 MET 94 1HE MET 94 -8.948 -2.630 -15.813 640 HE2 MET 94 2HE MET 94 -9.261 -4.009 -14.759 641 HE3 MET 94 3HE MET 94 -7.604 -3.592 -15.197 642 H LYS 95 H LYS 95 -4.405 -5.618 -16.325 643 HA LYS 95 HA LYS 95 -2.863 -7.898 -15.829 644 HB2 LYS 95 2HB LYS 95 -3.065 -7.271 -13.436 645 HB3 LYS 95 3HB LYS 95 -2.622 -5.918 -14.468 646 HG2 LYS 95 2HG LYS 95 -4.980 -5.183 -14.454 647 HG3 LYS 95 3HG LYS 95 -5.350 -6.492 -13.329 648 HD2 LYS 95 2HD LYS 95 -4.152 -5.516 -11.600 649 HD3 LYS 95 3HD LYS 95 -3.172 -4.540 -12.697 650 HE2 LYS 95 2HE LYS 95 -4.720 -2.896 -12.828 651 HE3 LYS 95 3HE LYS 95 -6.076 -4.020 -12.743 652 HZ1 LYS 95 1HZ LYS 95 -4.861 -2.507 -10.662 653 HZ2 LYS 95 2HZ LYS 95 -4.875 -4.155 -10.279 654 HZ3 LYS 95 3HZ LYS 95 -6.322 -3.361 -10.653 655 H THR 96 H THR 96 -6.285 -7.260 -15.308 656 HA THR 96 HA THR 96 -6.908 -9.493 -13.739 657 HB THR 96 HB THR 96 -8.759 -8.288 -15.796 658 HG1 THR 96 HG1 THR 96 -8.601 -6.501 -14.688 659 HG21 THR 96 1HG2 THR 96 -9.325 -10.399 -14.402 660 HG22 THR 96 2HG2 THR 96 -10.508 -9.094 -14.488 661 HG23 THR 96 3HG2 THR 96 -9.489 -9.269 -13.059 662 H THR 97 H THR 97 -6.967 -9.084 -17.269 663 HA THR 97 HA THR 97 -7.961 -11.567 -17.989 664 HB THR 97 HB THR 97 -5.751 -10.425 -19.634 665 HG1 THR 97 HG1 THR 97 -8.130 -9.096 -18.913 666 HG21 THR 97 1HG2 THR 97 -8.149 -12.037 -19.994 667 HG22 THR 97 2HG2 THR 97 -6.726 -11.885 -21.024 668 HG23 THR 97 3HG2 THR 97 -8.039 -10.715 -21.155 669 H TYR 98 H TYR 98 -4.520 -10.641 -17.772 670 HA TYR 98 HA TYR 98 -3.442 -13.159 -18.245 671 HB2 TYR 98 2HB TYR 98 -2.486 -10.602 -17.396 672 HB3 TYR 98 3HB TYR 98 -1.770 -11.836 -16.366 673 HD1 TYR 98 HD1 TYR 98 -0.904 -13.974 -17.747 674 HD2 TYR 98 HD2 TYR 98 -1.334 -10.039 -19.308 675 HE1 TYR 98 HE1 TYR 98 0.732 -14.500 -19.507 676 HE2 TYR 98 HE2 TYR 98 0.299 -10.554 -21.073 677 HH TYR 98 HH TYR 98 1.295 -13.681 -21.801 678 H LEU 99 H LEU 99 -4.326 -11.637 -15.163 679 HA LEU 99 HA LEU 99 -3.431 -13.577 -13.410 680 HB2 LEU 99 2HB LEU 99 -4.541 -11.293 -12.967 681 HB3 LEU 99 3HB LEU 99 -6.058 -12.189 -13.011 682 HG LEU 99 HG LEU 99 -3.977 -13.243 -11.197 683 HD11 LEU 99 1HD1 LEU 99 -4.856 -10.473 -11.091 684 HD12 LEU 99 2HD1 LEU 99 -3.561 -11.286 -10.215 685 HD13 LEU 99 3HD1 LEU 99 -5.217 -11.365 -9.613 686 HD21 LEU 99 1HD2 LEU 99 -6.837 -12.638 -10.556 687 HD22 LEU 99 2HD2 LEU 99 -5.795 -13.915 -9.929 688 HD23 LEU 99 3HD2 LEU 99 -6.421 -14.016 -11.575 689 H GLU 100 H GLU 100 -6.526 -13.418 -15.136 690 HA GLU 100 HA GLU 100 -7.607 -15.772 -13.986 691 HB2 GLU 100 2HB GLU 100 -8.726 -13.811 -15.360 692 HB3 GLU 100 3HB GLU 100 -8.408 -14.877 -16.721 693 HG2 GLU 100 2HG GLU 100 -9.559 -16.646 -15.120 694 HG3 GLU 100 3HG GLU 100 -10.302 -15.187 -14.467 695 H ARG 101 H ARG 101 -5.733 -15.138 -16.905 696 HA ARG 101 HA ARG 101 -5.979 -17.632 -18.133 697 HB2 ARG 101 2HB ARG 101 -4.381 -15.275 -18.459 698 HB3 ARG 101 3HB ARG 101 -3.348 -16.692 -18.599 699 HG2 ARG 101 2HG ARG 101 -3.986 -16.562 -20.756 700 HG3 ARG 101 3HG ARG 101 -5.368 -17.484 -20.159 701 HD2 ARG 101 2HD ARG 101 -6.795 -15.769 -20.450 702 HD3 ARG 101 3HD ARG 101 -5.624 -14.572 -19.897 703 HE ARG 101 HE ARG 101 -5.151 -14.137 -22.080 704 HH11 ARG 101 1HH1 ARG 101 -6.504 -17.337 -21.867 705 HH12 ARG 101 2HH1 ARG 101 -6.516 -17.588 -23.581 706 HH21 ARG 101 1HH2 ARG 101 -5.161 -14.454 -24.338 707 HH22 ARG 101 2HH2 ARG 101 -5.750 -15.948 -24.986 708 H LYS 102 H LYS 102 -3.324 -16.470 -16.051 709 HA LYS 102 HA LYS 102 -2.003 -18.944 -15.873 710 HB2 LYS 102 2HB LYS 102 -0.842 -17.951 -13.924 711 HB3 LYS 102 3HB LYS 102 -0.865 -16.880 -15.319 712 HG2 LYS 102 2HG LYS 102 -2.849 -15.740 -14.272 713 HG3 LYS 102 3HG LYS 102 -2.524 -16.689 -12.820 714 HD2 LYS 102 2HD LYS 102 -0.527 -14.859 -14.148 715 HD3 LYS 102 3HD LYS 102 -1.534 -14.407 -12.771 716 HE2 LYS 102 2HE LYS 102 -0.542 -16.390 -11.559 717 HE3 LYS 102 3HE LYS 102 0.611 -16.516 -12.887 718 HZ1 LYS 102 1HZ LYS 102 0.732 -14.849 -10.649 719 HZ2 LYS 102 2HZ LYS 102 0.552 -13.857 -12.007 720 HZ3 LYS 102 3HZ LYS 102 1.833 -14.960 -11.929 721 H ALA 103 H ALA 103 -4.456 -17.436 -13.821 722 HA ALA 103 HA ALA 103 -4.461 -19.220 -11.698 723 HB1 ALA 103 1HB ALA 103 -6.401 -17.332 -12.862 724 HB2 ALA 103 2HB ALA 103 -7.078 -18.601 -11.840 725 HB3 ALA 103 3HB ALA 103 -5.847 -17.513 -11.198 726 H GLU 104 H GLU 104 -6.178 -19.425 -14.794 727 HA GLU 104 HA GLU 104 -7.498 -21.874 -14.155 728 HB2 GLU 104 2HB GLU 104 -8.408 -20.315 -15.814 729 HB3 GLU 104 3HB GLU 104 -6.999 -20.568 -16.835 730 HG2 GLU 104 2HG GLU 104 -8.157 -22.156 -17.851 731 HG3 GLU 104 3HG GLU 104 -7.959 -23.121 -16.389 732 H GLU 105 H GLU 105 -4.543 -21.009 -15.871 733 HA GLU 105 HA GLU 105 -3.929 -23.482 -16.996 734 HB2 GLU 105 2HB GLU 105 -2.685 -21.507 -17.602 735 HB3 GLU 105 3HB GLU 105 -2.105 -21.312 -15.954 736 HG2 GLU 105 2HG GLU 105 -0.590 -23.031 -16.136 737 HG3 GLU 105 3HG GLU 105 -1.480 -23.819 -17.438 738 H ILE 106 H ILE 106 -2.630 -22.144 -13.952 739 HA ILE 106 HA ILE 106 -1.408 -24.529 -13.107 740 HB ILE 106 HB ILE 106 -0.832 -22.335 -12.167 741 HG12 ILE 106 2HG1 ILE 106 -0.680 -23.035 -9.801 742 HG13 ILE 106 3HG1 ILE 106 -1.851 -24.311 -10.113 743 HG21 ILE 106 1HG2 ILE 106 -2.240 -21.023 -10.926 744 HG22 ILE 106 2HG2 ILE 106 -3.392 -21.751 -12.044 745 HG23 ILE 106 3HG2 ILE 106 -3.231 -22.386 -10.407 746 HD11 ILE 106 1HD1 ILE 106 -0.281 -25.672 -10.881 747 HD12 ILE 106 2HD1 ILE 106 0.378 -24.431 -11.948 748 HD13 ILE 106 3HD1 ILE 106 0.897 -24.513 -10.265 749 H ALA 107 H ALA 107 -4.665 -23.304 -12.729 750 HA ALA 107 HA ALA 107 -5.533 -25.042 -10.691 751 HB1 ALA 107 1HB ALA 107 -6.936 -23.466 -12.812 752 HB2 ALA 107 2HB ALA 107 -7.834 -24.583 -11.783 753 HB3 ALA 107 3HB ALA 107 -6.944 -23.242 -11.062 754 H ALA 108 H ALA 108 -5.438 -25.373 -14.204 755 HA ALA 108 HA ALA 108 -6.906 -27.781 -14.366 756 HB1 ALA 108 1HB ALA 108 -5.167 -26.217 -16.167 757 HB2 ALA 108 2HB ALA 108 -5.351 -27.929 -16.550 758 HB3 ALA 108 3HB ALA 108 -6.773 -26.893 -16.439 759 H LYS 109 H LYS 109 -3.413 -27.142 -14.214 760 HA LYS 109 HA LYS 109 -2.567 -29.813 -14.392 761 HB2 LYS 109 2HB LYS 109 -1.221 -27.502 -12.980 762 HB3 LYS 109 3HB LYS 109 -0.445 -29.010 -13.446 763 HG2 LYS 109 2HG LYS 109 -1.752 -27.224 -15.467 764 HG3 LYS 109 3HG LYS 109 -0.087 -26.977 -14.939 765 HD2 LYS 109 2HD LYS 109 0.515 -28.452 -16.498 766 HD3 LYS 109 3HD LYS 109 -0.241 -29.695 -15.498 767 HE2 LYS 109 2HE LYS 109 -2.367 -28.552 -16.842 768 HE3 LYS 109 3HE LYS 109 -1.083 -28.582 -18.049 769 HZ1 LYS 109 1HZ LYS 109 -2.526 -30.779 -16.828 770 HZ2 LYS 109 2HZ LYS 109 -0.863 -31.026 -17.009 771 HZ3 LYS 109 3HZ LYS 109 -1.817 -30.667 -18.359 772 H LYS 110 H LYS 110 -3.067 -27.757 -11.527 773 HA LYS 110 HA LYS 110 -2.734 -30.034 -9.762 774 HB2 LYS 110 2HB LYS 110 -2.380 -27.266 -9.510 775 HB3 LYS 110 3HB LYS 110 -3.750 -27.649 -8.475 776 HG2 LYS 110 2HG LYS 110 -2.493 -29.049 -7.116 777 HG3 LYS 110 3HG LYS 110 -1.228 -29.253 -8.331 778 HD2 LYS 110 2HD LYS 110 -1.656 -26.484 -7.452 779 HD3 LYS 110 3HD LYS 110 -1.071 -27.575 -6.195 780 HE2 LYS 110 2HE LYS 110 0.510 -28.257 -8.310 781 HE3 LYS 110 3HE LYS 110 0.287 -26.528 -8.573 782 HZ1 LYS 110 1HZ LYS 110 0.938 -26.268 -6.161 783 HZ2 LYS 110 2HZ LYS 110 2.172 -26.725 -7.222 784 HZ3 LYS 110 3HZ LYS 110 1.455 -27.878 -6.213 Start of MODEL 5 1 H1 THR 12 H THR 12 -0.417 1.386 -0.204 2 HA THR 12 HA THR 12 1.460 1.547 -1.674 3 HB THR 12 HB THR 12 1.912 -1.384 -1.714 4 HG1 THR 12 HG1 THR 12 3.069 -1.342 0.210 5 HG21 THR 12 1HG2 THR 12 3.212 0.212 -3.086 6 HG22 THR 12 2HG2 THR 12 4.225 -0.697 -1.964 7 HG23 THR 12 3HG2 THR 12 3.794 0.975 -1.607 8 H ASP 13 H ASP 13 1.187 1.485 -3.853 9 HA ASP 13 HA ASP 13 -0.816 -0.395 -4.914 10 HB2 ASP 13 2HB ASP 13 -1.837 1.305 -6.216 11 HB3 ASP 13 3HB ASP 13 -1.664 1.982 -4.599 12 H HIS 14 H HIS 14 -0.221 -1.481 -6.684 13 HA HIS 14 HA HIS 14 2.151 -0.533 -8.156 14 HB2 HIS 14 2HB HIS 14 2.569 -3.010 -8.606 15 HB3 HIS 14 3HB HIS 14 2.889 -2.441 -6.970 16 HD1 HIS 14 HD1 HIS 14 0.605 -4.643 -8.935 17 HD2 HIS 14 HD2 HIS 14 1.165 -3.447 -4.996 18 HE1 HIS 14 HE1 HIS 14 -0.805 -6.200 -7.553 19 H GLN 15 H GLN 15 1.892 -0.249 -10.275 20 HA GLN 15 HA GLN 15 -0.391 -1.561 -11.594 21 HB2 GLN 15 2HB GLN 15 -0.577 0.506 -13.010 22 HB3 GLN 15 3HB GLN 15 -1.020 0.726 -11.323 23 HG2 GLN 15 2HG GLN 15 1.785 1.271 -11.787 24 HG3 GLN 15 3HG GLN 15 0.735 2.274 -12.787 25 HE21 GLN 15 1HE2 GLN 15 2.407 2.422 -10.110 26 HE22 GLN 15 2HE2 GLN 15 1.390 3.401 -9.114 27 H THR 16 H THR 16 0.052 -2.607 -13.434 28 HA THR 16 HA THR 16 2.412 -1.920 -14.993 29 HB THR 16 HB THR 16 2.139 -4.822 -14.405 30 HG1 THR 16 HG1 THR 16 2.096 -3.952 -12.315 31 HG21 THR 16 1HG2 THR 16 4.158 -2.925 -15.382 32 HG22 THR 16 2HG2 THR 16 3.931 -4.634 -15.757 33 HG23 THR 16 3HG2 THR 16 4.779 -4.159 -14.286 34 H VAL 17 H VAL 17 1.991 -2.071 -17.102 35 HA VAL 17 HA VAL 17 -0.374 -3.617 -17.933 36 HB VAL 17 HB VAL 17 0.888 -1.293 -19.390 37 HG11 VAL 17 1HG1 VAL 17 -0.256 -2.497 -21.000 38 HG12 VAL 17 2HG1 VAL 17 -1.508 -3.016 -19.871 39 HG13 VAL 17 3HG1 VAL 17 -1.479 -1.351 -20.453 40 HG21 VAL 17 1HG2 VAL 17 0.017 -0.291 -17.483 41 HG22 VAL 17 2HG2 VAL 17 -1.312 -0.167 -18.636 42 HG23 VAL 17 3HG2 VAL 17 -1.339 -1.415 -17.390 43 H TYR 18 H TYR 18 -0.275 -4.910 -19.771 44 HA TYR 18 HA TYR 18 2.453 -5.562 -20.666 45 HB2 TYR 18 2HB TYR 18 0.052 -7.382 -20.834 46 HB3 TYR 18 3HB TYR 18 1.749 -7.812 -21.015 47 HD1 TYR 18 HD1 TYR 18 3.162 -8.141 -19.084 48 HD2 TYR 18 HD2 TYR 18 -0.900 -6.964 -18.620 49 HE1 TYR 18 HE1 TYR 18 3.280 -8.698 -16.691 50 HE2 TYR 18 HE2 TYR 18 -0.793 -7.517 -16.226 51 HH TYR 18 HH TYR 18 0.519 -8.927 -14.720 52 H VAL 19 H VAL 19 2.960 -5.234 -22.729 53 HA VAL 19 HA VAL 19 0.783 -4.998 -24.699 54 HB VAL 19 HB VAL 19 3.260 -3.271 -24.652 55 HG11 VAL 19 1HG1 VAL 19 1.128 -3.752 -26.603 56 HG12 VAL 19 2HG1 VAL 19 1.439 -2.047 -26.268 57 HG13 VAL 19 3HG1 VAL 19 2.747 -3.090 -26.829 58 HG21 VAL 19 1HG2 VAL 19 1.682 -1.430 -24.102 59 HG22 VAL 19 2HG2 VAL 19 0.421 -2.639 -23.853 60 HG23 VAL 19 3HG2 VAL 19 1.848 -2.627 -22.816 61 H LYS 20 H LYS 20 1.239 -5.700 -26.791 62 HA LYS 20 HA LYS 20 2.837 -7.928 -27.096 63 HB2 LYS 20 2HB LYS 20 2.672 -7.395 -29.598 64 HB3 LYS 20 3HB LYS 20 1.166 -7.611 -28.714 65 HG2 LYS 20 2HG LYS 20 0.546 -5.454 -28.967 66 HG3 LYS 20 3HG LYS 20 2.203 -4.852 -28.888 67 HD2 LYS 20 2HD LYS 20 1.227 -6.428 -31.248 68 HD3 LYS 20 3HD LYS 20 0.951 -4.688 -31.131 69 HE2 LYS 20 2HE LYS 20 3.545 -4.693 -30.587 70 HE3 LYS 20 3HE LYS 20 3.485 -6.199 -31.502 71 HZ1 LYS 20 1HZ LYS 20 3.674 -3.688 -32.548 72 HZ2 LYS 20 2HZ LYS 20 2.048 -4.086 -32.786 73 HZ3 LYS 20 3HZ LYS 20 3.263 -5.091 -33.401 74 HA PRO 21 HA PRO 21 6.983 -6.598 -27.644 75 HB2 PRO 21 2HB PRO 21 7.884 -8.354 -29.509 76 HB3 PRO 21 3HB PRO 21 7.554 -8.815 -27.834 77 HG2 PRO 21 2HG PRO 21 5.852 -9.180 -30.270 78 HG3 PRO 21 3HG PRO 21 6.173 -10.319 -28.948 79 HD2 PRO 21 2HD PRO 21 3.893 -8.866 -29.097 80 HD3 PRO 21 3HD PRO 21 4.633 -9.326 -27.550 81 H VAL 22 H VAL 22 8.587 -5.863 -29.281 82 HA VAL 22 HA VAL 22 7.215 -4.523 -31.515 83 HB VAL 22 HB VAL 22 9.253 -2.997 -31.478 84 HG11 VAL 22 1HG1 VAL 22 8.275 -2.158 -29.029 85 HG12 VAL 22 2HG1 VAL 22 7.637 -1.725 -30.616 86 HG13 VAL 22 3HG1 VAL 22 6.944 -3.081 -29.725 87 HG21 VAL 22 1HG2 VAL 22 10.737 -3.008 -29.715 88 HG22 VAL 22 2HG2 VAL 22 9.632 -3.874 -28.648 89 HG23 VAL 22 3HG2 VAL 22 10.460 -4.734 -29.946 90 HA PRO 23 HA PRO 23 9.596 -6.684 -34.503 91 HB2 PRO 23 2HB PRO 23 9.929 -4.775 -36.405 92 HB3 PRO 23 3HB PRO 23 8.380 -5.573 -36.105 93 HG2 PRO 23 2HG PRO 23 9.345 -2.898 -35.169 94 HG3 PRO 23 3HG PRO 23 7.756 -3.352 -35.811 95 HD2 PRO 23 2HD PRO 23 8.228 -3.061 -33.161 96 HD3 PRO 23 3HD PRO 23 7.055 -4.231 -33.799 97 HA PRO 24 HA PRO 24 13.909 -5.911 -34.134 98 HB2 PRO 24 2HB PRO 24 14.856 -6.606 -36.581 99 HB3 PRO 24 3HB PRO 24 14.267 -7.790 -35.408 100 HG2 PRO 24 2HG PRO 24 12.865 -6.611 -37.775 101 HG3 PRO 24 3HG PRO 24 12.894 -8.293 -37.215 102 HD2 PRO 24 2HD PRO 24 10.815 -6.629 -36.724 103 HD3 PRO 24 3HD PRO 24 11.297 -7.913 -35.597 104 H THR 25 H THR 25 12.135 -4.276 -36.620 105 HA THR 25 HA THR 25 14.309 -2.523 -37.364 106 HB THR 25 HB THR 25 11.465 -1.907 -38.048 107 HG1 THR 25 HG1 THR 25 11.375 -3.987 -38.637 108 HG21 THR 25 1HG2 THR 25 13.672 -0.656 -38.748 109 HG22 THR 25 2HG2 THR 25 12.357 -0.876 -39.902 110 HG23 THR 25 3HG2 THR 25 13.762 -1.940 -39.952 111 H ALA 26 H ALA 26 11.410 -2.380 -35.363 112 HA ALA 26 HA ALA 26 11.374 0.366 -34.841 113 HB1 ALA 26 1HB ALA 26 10.156 -0.290 -32.743 114 HB2 ALA 26 2HB ALA 26 9.483 -0.938 -34.239 115 HB3 ALA 26 3HB ALA 26 10.449 -1.972 -33.186 116 H THR 27 H THR 27 13.037 1.513 -34.104 117 HA THR 27 HA THR 27 14.982 0.328 -32.301 118 HB THR 27 HB THR 27 15.678 2.988 -32.547 119 HG1 THR 27 HG1 THR 27 15.475 3.083 -35.005 120 HG21 THR 27 1HG2 THR 27 17.213 2.066 -34.401 121 HG22 THR 27 2HG2 THR 27 16.445 0.514 -34.065 122 HG23 THR 27 3HG2 THR 27 17.332 1.354 -32.793 123 H LEU 28 H LEU 28 15.789 1.893 -30.506 124 HA LEU 28 HA LEU 28 13.669 2.185 -28.642 125 HB2 LEU 28 2HB LEU 28 16.357 1.900 -28.447 126 HB3 LEU 28 3HB LEU 28 16.180 3.618 -28.096 127 HG LEU 28 HG LEU 28 14.480 1.666 -26.616 128 HD11 LEU 28 1HD1 LEU 28 17.321 2.292 -25.838 129 HD12 LEU 28 2HD1 LEU 28 16.807 0.774 -26.574 130 HD13 LEU 28 3HD1 LEU 28 16.182 1.243 -24.994 131 HD21 LEU 28 1HD2 LEU 28 15.821 4.259 -25.857 132 HD22 LEU 28 2HD2 LEU 28 14.707 3.331 -24.853 133 HD23 LEU 28 3HD2 LEU 28 14.137 4.074 -26.348 134 H GLU 29 H GLU 29 15.618 4.504 -30.485 135 HA GLU 29 HA GLU 29 14.526 6.843 -29.380 136 HB2 GLU 29 2HB GLU 29 16.575 6.880 -30.691 137 HB3 GLU 29 3HB GLU 29 15.698 6.363 -32.124 138 HG2 GLU 29 2HG GLU 29 14.741 8.417 -32.454 139 HG3 GLU 29 3HG GLU 29 14.861 8.866 -30.753 140 H GLN 30 H GLN 30 13.550 4.894 -32.167 141 HA GLN 30 HA GLN 30 11.496 6.617 -33.059 142 HB2 GLN 30 2HB GLN 30 12.621 4.165 -33.871 143 HB3 GLN 30 3HB GLN 30 10.905 3.859 -33.635 144 HG2 GLN 30 2HG GLN 30 10.456 4.796 -35.580 145 HG3 GLN 30 3HG GLN 30 11.172 6.311 -35.031 146 HE21 GLN 30 1HE2 GLN 30 11.185 4.583 -37.591 147 HE22 GLN 30 2HE2 GLN 30 12.849 4.592 -38.055 148 H LEU 31 H LEU 31 11.434 3.725 -30.994 149 HA LEU 31 HA LEU 31 8.686 3.593 -30.572 150 HB2 LEU 31 2HB LEU 31 11.093 2.550 -29.284 151 HB3 LEU 31 3HB LEU 31 9.734 2.760 -28.181 152 HG LEU 31 HG LEU 31 9.466 1.228 -30.752 153 HD11 LEU 31 1HD1 LEU 31 10.086 0.005 -28.077 154 HD12 LEU 31 2HD1 LEU 31 11.320 0.326 -29.295 155 HD13 LEU 31 3HD1 LEU 31 10.002 -0.790 -29.650 156 HD21 LEU 31 1HD2 LEU 31 7.416 1.964 -29.625 157 HD22 LEU 31 2HD2 LEU 31 7.940 1.150 -28.151 158 HD23 LEU 31 3HD2 LEU 31 7.585 0.209 -29.600 159 H THR 32 H THR 32 11.152 5.165 -28.534 160 HA THR 32 HA THR 32 9.411 6.257 -26.647 161 HB THR 32 HB THR 32 11.981 7.554 -27.558 162 HG1 THR 32 HG1 THR 32 13.050 6.120 -26.258 163 HG21 THR 32 1HG2 THR 32 10.365 8.683 -25.897 164 HG22 THR 32 2HG2 THR 32 12.065 8.553 -25.445 165 HG23 THR 32 3HG2 THR 32 10.884 7.433 -24.767 166 H GLU 33 H GLU 33 10.636 7.631 -29.681 167 HA GLU 33 HA GLU 33 9.579 10.183 -29.485 168 HB2 GLU 33 2HB GLU 33 11.095 9.579 -31.272 169 HB3 GLU 33 3HB GLU 33 9.927 8.441 -31.929 170 HG2 GLU 33 2HG GLU 33 8.486 10.183 -32.629 171 HG3 GLU 33 3HG GLU 33 9.395 11.389 -31.720 172 H PHE 34 H PHE 34 8.078 7.386 -31.116 173 HA PHE 34 HA PHE 34 5.635 8.599 -31.689 174 HB2 PHE 34 2HB PHE 34 6.581 5.786 -31.435 175 HB3 PHE 34 3HB PHE 34 4.842 6.062 -31.458 176 HD1 PHE 34 HD1 PHE 34 7.883 7.160 -33.325 177 HD2 PHE 34 HD2 PHE 34 3.800 5.969 -33.495 178 HE1 PHE 34 HE1 PHE 34 7.945 7.307 -35.781 179 HE2 PHE 34 HE2 PHE 34 3.856 6.112 -35.950 180 HZ PHE 34 HZ PHE 34 5.931 6.782 -37.096 181 H PHE 35 H PHE 35 6.727 6.903 -28.799 182 HA PHE 35 HA PHE 35 4.293 6.675 -27.462 183 HB2 PHE 35 2HB PHE 35 7.090 6.413 -26.814 184 HB3 PHE 35 3HB PHE 35 6.240 7.222 -25.502 185 HD1 PHE 35 HD1 PHE 35 3.732 6.023 -25.228 186 HD2 PHE 35 HD2 PHE 35 7.383 4.184 -26.412 187 HE1 PHE 35 HE1 PHE 35 2.892 3.851 -24.432 188 HE2 PHE 35 HE2 PHE 35 6.550 2.009 -25.619 189 HZ PHE 35 HZ PHE 35 4.301 1.840 -24.628 190 H SER 36 H SER 36 6.759 9.221 -27.046 191 HA SER 36 HA SER 36 5.266 10.859 -25.355 192 HB2 SER 36 2HB SER 36 7.698 11.118 -26.967 193 HB3 SER 36 3HB SER 36 6.826 12.639 -26.775 194 HG SER 36 HG SER 36 8.446 11.658 -25.064 195 H LYS 37 H LYS 37 5.372 10.683 -28.870 196 HA LYS 37 HA LYS 37 3.938 13.007 -29.469 197 HB2 LYS 37 2HB LYS 37 5.178 11.424 -31.057 198 HB3 LYS 37 3HB LYS 37 3.715 10.449 -31.044 199 HG2 LYS 37 2HG LYS 37 2.694 12.892 -31.606 200 HG3 LYS 37 3HG LYS 37 4.276 12.998 -32.380 201 HD2 LYS 37 2HD LYS 37 2.408 10.674 -32.794 202 HD3 LYS 37 3HD LYS 37 2.382 12.115 -33.813 203 HE2 LYS 37 2HE LYS 37 5.030 10.892 -33.399 204 HE3 LYS 37 3HE LYS 37 3.880 9.922 -34.319 205 HZ1 LYS 37 1HZ LYS 37 3.667 11.599 -35.929 206 HZ2 LYS 37 2HZ LYS 37 5.328 11.485 -35.634 207 HZ3 LYS 37 3HZ LYS 37 4.436 12.758 -34.966 208 H HIS 38 H HIS 38 2.861 9.821 -28.479 209 HA HIS 38 HA HIS 38 0.193 10.898 -28.017 210 HB2 HIS 38 2HB HIS 38 0.573 9.555 -30.329 211 HB3 HIS 38 3HB HIS 38 0.207 8.207 -29.256 212 HD1 HIS 38 HD1 HIS 38 -2.181 7.628 -29.379 213 HD2 HIS 38 HD2 HIS 38 -1.576 11.719 -29.783 214 HE1 HIS 38 HE1 HIS 38 -4.475 8.625 -29.642 215 H GLY 39 H GLY 39 -0.081 10.541 -25.913 216 HA2 GLY 39 2HA GLY 39 -0.638 9.081 -24.132 217 HA3 GLY 39 3HA GLY 39 0.308 7.817 -24.905 218 H THR 40 H THR 40 0.287 9.102 -22.144 219 HA THR 40 HA THR 40 3.151 9.792 -22.041 220 HB THR 40 HB THR 40 1.000 10.588 -20.070 221 HG1 THR 40 HG1 THR 40 0.657 12.105 -21.504 222 HG21 THR 40 1HG2 THR 40 3.019 10.484 -18.872 223 HG22 THR 40 2HG2 THR 40 2.869 12.180 -19.335 224 HG23 THR 40 3HG2 THR 40 3.955 11.114 -20.227 225 H VAL 41 H VAL 41 4.356 8.195 -21.272 226 HA VAL 41 HA VAL 41 3.206 6.427 -19.211 227 HB VAL 41 HB VAL 41 4.683 4.660 -19.981 228 HG11 VAL 41 1HG1 VAL 41 2.429 5.453 -21.213 229 HG12 VAL 41 2HG1 VAL 41 3.555 5.516 -22.570 230 HG13 VAL 41 3HG1 VAL 41 3.335 4.012 -21.674 231 HG21 VAL 41 1HG2 VAL 41 6.623 5.567 -20.792 232 HG22 VAL 41 2HG2 VAL 41 5.804 5.187 -22.308 233 HG23 VAL 41 3HG2 VAL 41 5.786 6.837 -21.686 234 H GLN 42 H GLN 42 4.478 5.849 -17.448 235 HA GLN 42 HA GLN 42 6.373 7.809 -16.611 236 HB2 GLN 42 2HB GLN 42 4.769 6.510 -15.128 237 HB3 GLN 42 3HB GLN 42 5.864 5.144 -15.295 238 HG2 GLN 42 2HG GLN 42 7.393 7.413 -14.549 239 HG3 GLN 42 3HG GLN 42 5.996 7.309 -13.479 240 HE21 GLN 42 1HE2 GLN 42 8.963 6.759 -13.194 241 HE22 GLN 42 2HE2 GLN 42 9.029 5.198 -12.457 242 H ALA 43 H ALA 43 6.695 4.288 -17.101 243 HA ALA 43 HA ALA 43 9.302 4.657 -18.300 244 HB1 ALA 43 1HB ALA 43 10.109 4.645 -16.110 245 HB2 ALA 43 2HB ALA 43 8.960 3.410 -15.594 246 HB3 ALA 43 3HB ALA 43 10.308 2.976 -16.646 247 H VAL 44 H VAL 44 10.237 2.551 -19.019 248 HA VAL 44 HA VAL 44 8.264 0.410 -19.312 249 HB VAL 44 HB VAL 44 8.007 1.822 -21.309 250 HG11 VAL 44 1HG1 VAL 44 10.820 1.095 -22.070 251 HG12 VAL 44 2HG1 VAL 44 9.746 2.278 -22.819 252 HG13 VAL 44 3HG1 VAL 44 10.437 2.596 -21.227 253 HG21 VAL 44 1HG2 VAL 44 7.650 -0.594 -21.468 254 HG22 VAL 44 2HG2 VAL 44 8.281 0.063 -22.978 255 HG23 VAL 44 3HG2 VAL 44 9.349 -0.819 -21.886 256 H TRP 45 H TRP 45 9.139 -1.633 -19.657 257 HA TRP 45 HA TRP 45 11.938 -2.027 -20.122 258 HB2 TRP 45 2HB TRP 45 11.266 -1.528 -17.486 259 HB3 TRP 45 3HB TRP 45 11.301 -3.287 -17.564 260 HD1 TRP 45 HD1 TRP 45 13.601 -0.262 -18.281 261 HE1 TRP 45 HE1 TRP 45 16.041 -1.027 -17.984 262 HE3 TRP 45 HE3 TRP 45 12.795 -5.241 -17.445 263 HZ2 TRP 45 HZ2 TRP 45 17.438 -3.424 -17.465 264 HZ3 TRP 45 HZ3 TRP 45 14.737 -6.701 -17.058 265 HH2 TRP 45 HH2 TRP 45 17.010 -5.810 -17.069 266 H ARG 46 H ARG 46 12.507 -4.415 -19.870 267 HA ARG 46 HA ARG 46 10.319 -6.281 -19.931 268 HB2 ARG 46 2HB ARG 46 10.661 -7.057 -22.214 269 HB3 ARG 46 3HB ARG 46 10.207 -5.358 -22.209 270 HG2 ARG 46 2HG ARG 46 13.091 -6.122 -22.282 271 HG3 ARG 46 3HG ARG 46 12.119 -6.186 -23.754 272 HD2 ARG 46 2HD ARG 46 11.490 -3.736 -22.599 273 HD3 ARG 46 3HD ARG 46 13.230 -3.903 -22.365 274 HE ARG 46 HE ARG 46 12.727 -4.584 -24.996 275 HH11 ARG 46 1HH1 ARG 46 12.339 -1.790 -22.955 276 HH12 ARG 46 2HH1 ARG 46 12.531 -0.655 -24.251 277 HH21 ARG 46 1HH2 ARG 46 12.980 -3.100 -26.710 278 HH22 ARG 46 2HH2 ARG 46 12.894 -1.401 -26.386 279 H ARG 47 H ARG 47 10.984 -8.409 -19.697 280 HA ARG 47 HA ARG 47 13.824 -9.030 -19.823 281 HB2 ARG 47 2HB ARG 47 14.008 -9.775 -17.559 282 HB3 ARG 47 3HB ARG 47 13.375 -8.135 -17.522 283 HG2 ARG 47 2HG ARG 47 11.070 -9.519 -17.531 284 HG3 ARG 47 3HG ARG 47 12.123 -10.669 -16.703 285 HD2 ARG 47 2HD ARG 47 12.779 -8.880 -15.131 286 HD3 ARG 47 3HD ARG 47 11.644 -7.793 -15.931 287 HE ARG 47 HE ARG 47 10.393 -10.198 -15.033 288 HH11 ARG 47 1HH1 ARG 47 11.515 -7.062 -14.020 289 HH12 ARG 47 2HH1 ARG 47 10.409 -6.951 -12.691 290 HH21 ARG 47 1HH2 ARG 47 8.932 -10.064 -13.287 291 HH22 ARG 47 2HH2 ARG 47 8.940 -8.660 -12.274 292 H TYR 48 H TYR 48 14.236 -11.364 -19.480 293 HA TYR 48 HA TYR 48 11.925 -13.109 -19.779 294 HB2 TYR 48 2HB TYR 48 12.925 -14.203 -21.792 295 HB3 TYR 48 3HB TYR 48 12.373 -12.556 -22.080 296 HD1 TYR 48 HD1 TYR 48 15.218 -14.798 -22.035 297 HD2 TYR 48 HD2 TYR 48 14.038 -10.718 -22.281 298 HE1 TYR 48 HE1 TYR 48 17.444 -14.213 -22.902 299 HE2 TYR 48 HE2 TYR 48 16.260 -10.122 -23.150 300 HH TYR 48 HH TYR 48 18.525 -10.982 -23.158 301 H PHE 49 H PHE 49 12.211 -14.829 -18.536 302 HA PHE 49 HA PHE 49 14.798 -15.391 -17.392 303 HB2 PHE 49 2HB PHE 49 12.008 -16.121 -16.843 304 HB3 PHE 49 3HB PHE 49 13.155 -17.424 -16.549 305 HD1 PHE 49 HD1 PHE 49 15.286 -16.726 -15.174 306 HD2 PHE 49 HD2 PHE 49 11.586 -14.621 -15.157 307 HE1 PHE 49 HE1 PHE 49 15.870 -15.725 -13.005 308 HE2 PHE 49 HE2 PHE 49 12.165 -13.615 -12.987 309 HZ PHE 49 HZ PHE 49 14.310 -14.166 -11.909 310 H ALA 50 H ALA 50 16.236 -16.779 -18.165 311 HA ALA 50 HA ALA 50 15.567 -18.455 -20.425 312 HB1 ALA 50 1HB ALA 50 17.740 -17.092 -20.034 313 HB2 ALA 50 2HB ALA 50 18.232 -18.485 -19.070 314 HB3 ALA 50 3HB ALA 50 17.840 -18.689 -20.777 315 H GLY 51 H GLY 51 16.359 -18.850 -17.020 316 HA2 GLY 51 2HA GLY 51 15.787 -20.649 -15.655 317 HA3 GLY 51 3HA GLY 51 15.287 -21.542 -17.084 318 H LYS 52 H LYS 52 17.615 -21.258 -14.697 319 HA LYS 52 HA LYS 52 19.345 -23.152 -16.120 320 HB2 LYS 52 2HB LYS 52 21.347 -22.029 -15.171 321 HB3 LYS 52 3HB LYS 52 20.478 -21.030 -16.329 322 HG2 LYS 52 2HG LYS 52 20.084 -19.444 -14.820 323 HG3 LYS 52 3HG LYS 52 19.575 -20.614 -13.599 324 HD2 LYS 52 2HD LYS 52 21.564 -20.558 -12.582 325 HD3 LYS 52 3HD LYS 52 22.435 -20.714 -14.109 326 HE2 LYS 52 2HE LYS 52 22.792 -18.502 -14.267 327 HE3 LYS 52 3HE LYS 52 21.169 -18.103 -13.704 328 HZ1 LYS 52 1HZ LYS 52 23.414 -17.705 -12.289 329 HZ2 LYS 52 2HZ LYS 52 22.908 -19.197 -11.674 330 HZ3 LYS 52 3HZ LYS 52 21.873 -17.861 -11.608 331 H LYS 53 H LYS 53 17.609 -24.208 -14.512 332 HA LYS 53 HA LYS 53 19.190 -25.128 -12.265 333 HB2 LYS 53 2HB LYS 53 17.495 -24.702 -10.587 334 HB3 LYS 53 3HB LYS 53 17.960 -23.187 -11.350 335 HG2 LYS 53 2HG LYS 53 15.717 -24.417 -12.699 336 HG3 LYS 53 3HG LYS 53 15.389 -24.143 -10.986 337 HD2 LYS 53 2HD LYS 53 15.384 -21.899 -11.216 338 HD3 LYS 53 3HD LYS 53 16.709 -21.914 -12.383 339 HE2 LYS 53 2HE LYS 53 15.125 -21.370 -13.873 340 HE3 LYS 53 3HE LYS 53 14.708 -23.082 -13.812 341 HZ1 LYS 53 1HZ LYS 53 13.249 -22.288 -11.815 342 HZ2 LYS 53 2HZ LYS 53 12.690 -22.133 -13.403 343 HZ3 LYS 53 3HZ LYS 53 13.337 -20.792 -12.600 344 H ASP 54 H ASP 54 17.751 -26.815 -10.991 345 HA ASP 54 HA ASP 54 16.654 -28.598 -13.040 346 HB2 ASP 54 2HB ASP 54 17.842 -29.037 -10.318 347 HB3 ASP 54 3HB ASP 54 16.816 -30.270 -11.046 348 H ALA 55 H ALA 55 15.165 -26.332 -11.895 349 HA ALA 55 HA ALA 55 12.971 -27.816 -10.601 350 HB1 ALA 55 1HB ALA 55 14.300 -25.613 -9.628 351 HB2 ALA 55 2HB ALA 55 12.843 -24.920 -10.339 352 HB3 ALA 55 3HB ALA 55 12.712 -26.177 -9.109 353 HA PRO 56 HA PRO 56 10.252 -26.841 -13.904 354 HB2 PRO 56 2HB PRO 56 7.927 -26.304 -12.609 355 HB3 PRO 56 3HB PRO 56 8.599 -27.934 -12.740 356 HG2 PRO 56 2HG PRO 56 8.748 -26.002 -10.458 357 HG3 PRO 56 3HG PRO 56 8.437 -27.747 -10.428 358 HD2 PRO 56 2HD PRO 56 10.863 -26.690 -9.854 359 HD3 PRO 56 3HD PRO 56 10.672 -28.276 -10.628 360 HA PRO 57 HA PRO 57 9.883 -22.525 -14.654 361 HB2 PRO 57 2HB PRO 57 7.569 -22.355 -16.064 362 HB3 PRO 57 3HB PRO 57 9.054 -23.043 -16.733 363 HG2 PRO 57 2HG PRO 57 6.670 -24.439 -15.578 364 HG3 PRO 57 3HG PRO 57 7.604 -24.837 -17.033 365 HD2 PRO 57 2HD PRO 57 7.946 -26.136 -14.682 366 HD3 PRO 57 3HD PRO 57 9.274 -25.874 -15.830 367 H GLU 58 H GLU 58 9.585 -21.466 -12.731 368 HA GLU 58 HA GLU 58 6.935 -21.417 -11.515 369 HB2 GLU 58 2HB GLU 58 8.988 -21.711 -10.121 370 HB3 GLU 58 3HB GLU 58 9.481 -20.085 -10.576 371 HG2 GLU 58 2HG GLU 58 8.434 -20.184 -8.358 372 HG3 GLU 58 3HG GLU 58 7.561 -19.141 -9.480 373 H SER 59 H SER 59 9.314 -19.156 -12.866 374 HA SER 59 HA SER 59 7.414 -16.963 -12.709 375 HB2 SER 59 2HB SER 59 9.674 -16.150 -14.181 376 HB3 SER 59 3HB SER 59 9.314 -15.795 -12.492 377 HG SER 59 HG SER 59 10.536 -17.505 -11.865 378 H ARG 60 H ARG 60 7.117 -15.569 -14.669 379 HA ARG 60 HA ARG 60 6.570 -17.289 -16.986 380 HB2 ARG 60 2HB ARG 60 5.433 -14.571 -16.303 381 HB3 ARG 60 3HB ARG 60 4.954 -15.579 -17.662 382 HG2 ARG 60 2HG ARG 60 4.652 -16.352 -14.768 383 HG3 ARG 60 3HG ARG 60 3.374 -15.661 -15.770 384 HD2 ARG 60 2HD ARG 60 4.673 -17.948 -17.014 385 HD3 ARG 60 3HD ARG 60 3.937 -18.344 -15.461 386 HE ARG 60 HE ARG 60 1.998 -16.951 -16.743 387 HH11 ARG 60 1HH1 ARG 60 3.933 -19.720 -17.584 388 HH12 ARG 60 2HH1 ARG 60 2.715 -20.429 -18.593 389 HH21 ARG 60 1HH2 ARG 60 0.386 -17.874 -18.068 390 HH22 ARG 60 2HH2 ARG 60 0.698 -19.377 -18.868 391 H THR 61 H THR 61 7.836 -17.124 -18.703 392 HA THR 61 HA THR 61 9.335 -14.618 -19.112 393 HB THR 61 HB THR 61 10.923 -16.325 -18.656 394 HG1 THR 61 HG1 THR 61 12.102 -15.903 -20.376 395 HG21 THR 61 1HG2 THR 61 9.006 -18.019 -20.001 396 HG22 THR 61 2HG2 THR 61 10.317 -18.459 -18.906 397 HG23 THR 61 3HG2 THR 61 10.633 -18.275 -20.631 398 H LYS 62 H LYS 62 8.311 -13.483 -20.638 399 HA LYS 62 HA LYS 62 7.751 -14.816 -23.191 400 HB2 LYS 62 2HB LYS 62 5.690 -13.266 -23.323 401 HB3 LYS 62 3HB LYS 62 5.577 -14.723 -22.345 402 HG2 LYS 62 2HG LYS 62 6.499 -12.330 -20.914 403 HG3 LYS 62 3HG LYS 62 4.840 -12.264 -21.513 404 HD2 LYS 62 2HD LYS 62 5.881 -14.623 -19.968 405 HD3 LYS 62 3HD LYS 62 5.211 -13.202 -19.162 406 HE2 LYS 62 2HE LYS 62 3.176 -14.037 -19.457 407 HE3 LYS 62 3HE LYS 62 3.399 -13.903 -21.200 408 HZ1 LYS 62 1HZ LYS 62 4.649 -16.212 -19.989 409 HZ2 LYS 62 2HZ LYS 62 3.733 -16.095 -21.406 410 HZ3 LYS 62 3HZ LYS 62 2.959 -16.205 -19.906 411 HA PRO 63 HA PRO 63 9.712 -11.366 -25.065 412 HB2 PRO 63 2HB PRO 63 8.304 -11.108 -27.372 413 HB3 PRO 63 3HB PRO 63 9.433 -12.436 -27.079 414 HG2 PRO 63 2HG PRO 63 6.450 -12.398 -26.836 415 HG3 PRO 63 3HG PRO 63 7.499 -13.643 -27.539 416 HD2 PRO 63 2HD PRO 63 6.455 -13.854 -25.050 417 HD3 PRO 63 3HD PRO 63 8.040 -14.529 -25.481 418 H SER 64 H SER 64 6.355 -11.233 -24.299 419 HA SER 64 HA SER 64 5.581 -8.737 -25.186 420 HB2 SER 64 2HB SER 64 4.827 -9.728 -22.445 421 HB3 SER 64 3HB SER 64 3.846 -8.822 -23.597 422 HG SER 64 HG SER 64 3.233 -10.998 -23.586 423 H VAL 65 H VAL 65 5.569 -6.660 -24.256 424 HA VAL 65 HA VAL 65 7.845 -6.168 -22.463 425 HB VAL 65 HB VAL 65 7.686 -3.807 -23.259 426 HG11 VAL 65 1HG1 VAL 65 9.141 -5.652 -24.276 427 HG12 VAL 65 2HG1 VAL 65 7.981 -5.652 -25.606 428 HG13 VAL 65 3HG1 VAL 65 8.890 -4.189 -25.227 429 HG21 VAL 65 1HG2 VAL 65 5.317 -3.860 -23.914 430 HG22 VAL 65 2HG2 VAL 65 6.353 -3.297 -25.225 431 HG23 VAL 65 3HG2 VAL 65 5.720 -4.943 -25.246 432 H PHE 66 H PHE 66 7.646 -4.649 -20.751 433 HA PHE 66 HA PHE 66 4.890 -4.395 -19.749 434 HB2 PHE 66 2HB PHE 66 7.407 -4.286 -18.086 435 HB3 PHE 66 3HB PHE 66 5.750 -4.477 -17.522 436 HD1 PHE 66 HD1 PHE 66 8.539 -6.190 -17.442 437 HD2 PHE 66 HD2 PHE 66 4.710 -6.563 -19.264 438 HE1 PHE 66 HE1 PHE 66 8.808 -8.635 -17.499 439 HE2 PHE 66 HE2 PHE 66 4.973 -9.008 -19.323 440 HZ PHE 66 HZ PHE 66 7.023 -10.047 -18.440 441 H VAL 67 H VAL 67 4.064 -2.429 -19.412 442 HA VAL 67 HA VAL 67 5.901 -0.127 -19.356 443 HB VAL 67 HB VAL 67 4.237 1.187 -20.616 444 HG11 VAL 67 1HG1 VAL 67 5.641 -1.160 -21.743 445 HG12 VAL 67 2HG1 VAL 67 4.481 -0.345 -22.793 446 HG13 VAL 67 3HG1 VAL 67 5.831 0.556 -22.100 447 HG21 VAL 67 1HG2 VAL 67 2.494 -0.140 -21.888 448 HG22 VAL 67 2HG2 VAL 67 2.811 -1.459 -20.760 449 HG23 VAL 67 3HG2 VAL 67 2.196 0.083 -20.165 450 H VAL 68 H VAL 68 5.465 1.439 -17.883 451 HA VAL 68 HA VAL 68 3.066 1.064 -16.209 452 HB VAL 68 HB VAL 68 5.702 2.215 -15.292 453 HG11 VAL 68 1HG1 VAL 68 3.270 1.313 -13.752 454 HG12 VAL 68 2HG1 VAL 68 4.763 1.948 -13.057 455 HG13 VAL 68 3HG1 VAL 68 3.739 2.986 -14.051 456 HG21 VAL 68 1HG2 VAL 68 4.659 -0.581 -15.292 457 HG22 VAL 68 2HG2 VAL 68 6.291 0.010 -15.604 458 HG23 VAL 68 3HG2 VAL 68 5.670 -0.035 -13.954 459 H PHE 69 H PHE 69 1.646 2.635 -16.533 460 HA PHE 69 HA PHE 69 2.438 5.184 -17.622 461 HB2 PHE 69 2HB PHE 69 -0.154 3.841 -16.991 462 HB3 PHE 69 3HB PHE 69 -0.137 5.594 -17.152 463 HD1 PHE 69 HD1 PHE 69 1.193 2.608 -18.954 464 HD2 PHE 69 HD2 PHE 69 -0.627 6.446 -19.218 465 HE1 PHE 69 HE1 PHE 69 1.071 2.378 -21.401 466 HE2 PHE 69 HE2 PHE 69 -0.752 6.223 -21.665 467 HZ PHE 69 HZ PHE 69 0.097 4.186 -22.760 468 H ASN 70 H ASN 70 2.339 7.177 -16.626 469 HA ASN 70 HA ASN 70 2.632 7.135 -13.748 470 HB2 ASN 70 2HB ASN 70 4.210 8.501 -14.880 471 HB3 ASN 70 3HB ASN 70 2.957 9.284 -15.839 472 HD21 ASN 70 1HD2 ASN 70 2.309 11.202 -15.187 473 HD22 ASN 70 2HD2 ASN 70 2.510 11.858 -13.602 474 H SER 71 H SER 71 0.426 8.538 -16.133 475 HA SER 71 HA SER 71 -1.209 9.805 -14.135 476 HB2 SER 71 2HB SER 71 -2.470 9.406 -16.740 477 HB3 SER 71 3HB SER 71 -2.114 10.904 -15.880 478 HG SER 71 HG SER 71 -0.737 9.681 -17.889 479 H SER 72 H SER 72 -2.841 8.941 -13.036 480 HA SER 72 HA SER 72 -3.433 6.210 -13.089 481 HB2 SER 72 2HB SER 72 -5.686 7.421 -11.987 482 HB3 SER 72 3HB SER 72 -4.251 6.892 -11.110 483 HG SER 72 HG SER 72 -5.099 9.428 -11.732 484 H GLU 73 H GLU 73 -5.338 8.950 -14.334 485 HA GLU 73 HA GLU 73 -7.469 7.500 -15.377 486 HB2 GLU 73 2HB GLU 73 -6.866 10.127 -15.242 487 HB3 GLU 73 3HB GLU 73 -6.562 9.839 -16.950 488 HG2 GLU 73 2HG GLU 73 -8.870 8.785 -17.027 489 HG3 GLU 73 3HG GLU 73 -9.125 9.494 -15.433 490 H GLU 74 H GLU 74 -4.589 8.674 -17.127 491 HA GLU 74 HA GLU 74 -5.148 7.426 -19.560 492 HB2 GLU 74 2HB GLU 74 -3.272 9.152 -18.793 493 HB3 GLU 74 3HB GLU 74 -2.309 7.684 -18.700 494 HG2 GLU 74 2HG GLU 74 -2.030 8.759 -20.848 495 HG3 GLU 74 3HG GLU 74 -2.820 7.194 -21.034 496 H ALA 75 H ALA 75 -3.628 6.208 -16.650 497 HA ALA 75 HA ALA 75 -2.513 3.854 -17.714 498 HB1 ALA 75 1HB ALA 75 -2.955 3.089 -15.211 499 HB2 ALA 75 2HB ALA 75 -1.687 4.241 -15.630 500 HB3 ALA 75 3HB ALA 75 -3.230 4.818 -15.002 501 H GLU 76 H GLU 76 -5.648 4.433 -16.129 502 HA GLU 76 HA GLU 76 -6.581 1.779 -16.381 503 HB2 GLU 76 2HB GLU 76 -7.912 4.422 -15.881 504 HB3 GLU 76 3HB GLU 76 -8.878 2.975 -16.137 505 HG2 GLU 76 2HG GLU 76 -6.973 2.223 -14.260 506 HG3 GLU 76 3HG GLU 76 -7.456 3.851 -13.788 507 H ALA 77 H ALA 77 -6.858 4.625 -18.442 508 HA ALA 77 HA ALA 77 -8.735 3.632 -20.271 509 HB1 ALA 77 1HB ALA 77 -7.818 5.327 -21.825 510 HB2 ALA 77 2HB ALA 77 -8.173 5.973 -20.222 511 HB3 ALA 77 3HB ALA 77 -6.507 5.622 -20.681 512 H PHE 78 H PHE 78 -5.175 3.601 -20.416 513 HA PHE 78 HA PHE 78 -5.012 2.174 -22.846 514 HB2 PHE 78 2HB PHE 78 -3.138 2.951 -20.688 515 HB3 PHE 78 3HB PHE 78 -2.658 1.570 -21.669 516 HD1 PHE 78 HD1 PHE 78 -1.799 1.859 -23.831 517 HD2 PHE 78 HD2 PHE 78 -3.632 5.134 -21.824 518 HE1 PHE 78 HE1 PHE 78 -0.985 3.384 -25.582 519 HE2 PHE 78 HE2 PHE 78 -2.822 6.664 -23.572 520 HZ PHE 78 HZ PHE 78 -1.497 5.790 -25.454 521 H GLN 79 H GLN 79 -5.069 1.151 -19.471 522 HA GLN 79 HA GLN 79 -4.421 -1.542 -19.827 523 HB2 GLN 79 2HB GLN 79 -5.601 0.107 -17.732 524 HB3 GLN 79 3HB GLN 79 -6.249 -1.528 -17.743 525 HG2 GLN 79 2HG GLN 79 -4.164 -2.487 -17.338 526 HG3 GLN 79 3HG GLN 79 -3.299 -1.028 -17.819 527 HE21 GLN 79 1HE2 GLN 79 -3.692 0.897 -16.427 528 HE22 GLN 79 2HE2 GLN 79 -3.814 0.638 -14.723 529 H LYS 80 H LYS 80 -7.595 0.054 -19.824 530 HA LYS 80 HA LYS 80 -9.167 -2.228 -20.179 531 HB2 LYS 80 2HB LYS 80 -9.963 0.102 -19.616 532 HB3 LYS 80 3HB LYS 80 -9.766 0.505 -21.317 533 HG2 LYS 80 2HG LYS 80 -11.530 -0.831 -21.975 534 HG3 LYS 80 3HG LYS 80 -11.448 -1.832 -20.523 535 HD2 LYS 80 2HD LYS 80 -13.351 -0.535 -20.177 536 HD3 LYS 80 3HD LYS 80 -12.105 0.322 -19.267 537 HE2 LYS 80 2HE LYS 80 -11.812 1.571 -21.591 538 HE3 LYS 80 3HE LYS 80 -13.495 1.080 -21.781 539 HZ1 LYS 80 1HZ LYS 80 -12.819 2.276 -19.227 540 HZ2 LYS 80 2HZ LYS 80 -14.179 2.506 -20.205 541 HZ3 LYS 80 3HZ LYS 80 -12.738 3.318 -20.556 542 H ALA 81 H ALA 81 -8.436 0.158 -22.728 543 HA ALA 81 HA ALA 81 -8.273 -2.078 -24.641 544 HB1 ALA 81 1HB ALA 81 -10.230 -0.107 -24.597 545 HB2 ALA 81 2HB ALA 81 -9.121 0.395 -25.874 546 HB3 ALA 81 3HB ALA 81 -9.863 -1.205 -25.928 547 HA PRO 82 HA PRO 82 -4.428 -0.492 -26.037 548 HB2 PRO 82 2HB PRO 82 -4.559 -0.915 -28.715 549 HB3 PRO 82 3HB PRO 82 -4.368 -2.225 -27.544 550 HG2 PRO 82 2HG PRO 82 -6.842 -1.273 -28.935 551 HG3 PRO 82 3HG PRO 82 -6.296 -2.933 -28.635 552 HD2 PRO 82 2HD PRO 82 -8.185 -1.723 -27.118 553 HD3 PRO 82 3HD PRO 82 -7.053 -2.921 -26.458 554 HA PRO 83 HA PRO 83 -4.669 3.647 -27.502 555 HB2 PRO 83 2HB PRO 83 -2.423 3.883 -29.009 556 HB3 PRO 83 3HB PRO 83 -2.389 3.780 -27.245 557 HG2 PRO 83 2HG PRO 83 -1.903 1.636 -29.277 558 HG3 PRO 83 3HG PRO 83 -1.015 1.983 -27.782 559 HD2 PRO 83 2HD PRO 83 -2.852 0.002 -27.959 560 HD3 PRO 83 3HD PRO 83 -2.570 0.912 -26.461 561 H MET 84 H MET 84 -4.067 1.203 -29.981 562 HA MET 84 HA MET 84 -4.818 0.973 -32.115 563 HB2 MET 84 2HB MET 84 -6.894 2.398 -30.723 564 HB3 MET 84 3HB MET 84 -6.803 2.958 -32.388 565 HG2 MET 84 2HG MET 84 -6.632 0.123 -32.388 566 HG3 MET 84 3HG MET 84 -7.994 0.603 -31.378 567 HE1 MET 84 1HE MET 84 -9.300 2.621 -31.997 568 HE2 MET 84 2HE MET 84 -9.228 3.419 -33.568 569 HE3 MET 84 3HE MET 84 -10.457 2.192 -33.258 570 H TYR 85 H TYR 85 -3.011 1.693 -33.188 571 HA TYR 85 HA TYR 85 -3.051 4.517 -34.033 572 HB2 TYR 85 2HB TYR 85 -1.026 3.184 -32.672 573 HB3 TYR 85 3HB TYR 85 -0.476 3.194 -34.344 574 HD1 TYR 85 HD1 TYR 85 -0.099 4.874 -31.420 575 HD2 TYR 85 HD2 TYR 85 -1.122 5.665 -35.474 576 HE1 TYR 85 HE1 TYR 85 0.656 7.200 -31.151 577 HE2 TYR 85 HE2 TYR 85 -0.369 7.992 -35.216 578 HH TYR 85 HH TYR 85 0.940 9.364 -33.861 579 H ASP 86 H ASP 86 -3.275 4.885 -36.138 580 HA ASP 86 HA ASP 86 -3.837 2.915 -38.005 581 HB2 ASP 86 2HB ASP 86 -3.441 5.790 -38.021 582 HB3 ASP 86 3HB ASP 86 -2.832 5.049 -39.499 583 H ASP 87 H ASP 87 -0.777 4.598 -37.396 584 HA ASP 87 HA ASP 87 0.746 3.594 -39.468 585 HB2 ASP 87 2HB ASP 87 1.509 5.316 -37.854 586 HB3 ASP 87 3HB ASP 87 1.680 4.062 -36.629 587 H VAL 88 H VAL 88 0.785 2.266 -36.156 588 HA VAL 88 HA VAL 88 1.082 -0.418 -37.327 589 HB VAL 88 HB VAL 88 2.600 0.625 -34.932 590 HG11 VAL 88 1HG1 VAL 88 2.413 -2.088 -36.205 591 HG12 VAL 88 2HG1 VAL 88 3.800 -1.611 -35.223 592 HG13 VAL 88 3HG1 VAL 88 2.185 -1.645 -34.513 593 HG21 VAL 88 1HG2 VAL 88 4.587 0.154 -36.418 594 HG22 VAL 88 2HG2 VAL 88 3.447 0.019 -37.757 595 HG23 VAL 88 3HG2 VAL 88 3.598 1.540 -36.877 596 H GLN 89 H GLN 89 -0.281 -1.891 -36.536 597 HA GLN 89 HA GLN 89 -2.322 -1.196 -34.727 598 HB2 GLN 89 2HB GLN 89 -2.382 -2.995 -36.521 599 HB3 GLN 89 3HB GLN 89 -1.481 -4.011 -35.405 600 HG2 GLN 89 2HG GLN 89 -3.263 -4.004 -33.833 601 HG3 GLN 89 3HG GLN 89 -4.130 -2.761 -34.733 602 HE21 GLN 89 1HE2 GLN 89 -5.935 -4.181 -34.760 603 HE22 GLN 89 2HE2 GLN 89 -6.012 -5.485 -35.891 604 H LEU 90 H LEU 90 -2.309 -1.088 -32.588 605 HA LEU 90 HA LEU 90 -0.113 -2.368 -31.124 606 HB2 LEU 90 2HB LEU 90 -1.486 0.140 -30.907 607 HB3 LEU 90 3HB LEU 90 -1.633 -0.751 -29.394 608 HG LEU 90 HG LEU 90 0.259 0.763 -29.318 609 HD11 LEU 90 1HD1 LEU 90 1.615 -0.685 -28.240 610 HD12 LEU 90 2HD1 LEU 90 1.656 -1.823 -29.586 611 HD13 LEU 90 3HD1 LEU 90 0.266 -1.790 -28.502 612 HD21 LEU 90 1HD2 LEU 90 1.486 -0.810 -31.570 613 HD22 LEU 90 2HD2 LEU 90 2.091 0.664 -30.814 614 HD23 LEU 90 3HD2 LEU 90 0.637 0.716 -31.812 615 H THR 91 H THR 91 -0.448 -3.881 -29.580 616 HA THR 91 HA THR 91 -3.239 -4.620 -28.988 617 HB THR 91 HB THR 91 -1.072 -6.691 -29.045 618 HG1 THR 91 HG1 THR 91 -1.240 -5.467 -31.118 619 HG21 THR 91 1HG2 THR 91 -3.466 -6.996 -28.124 620 HG22 THR 91 2HG2 THR 91 -2.828 -8.220 -29.221 621 HG23 THR 91 3HG2 THR 91 -3.955 -7.001 -29.817 622 H ALA 92 H ALA 92 -3.510 -3.923 -26.949 623 HA ALA 92 HA ALA 92 -1.437 -4.598 -24.967 624 HB1 ALA 92 1HB ALA 92 -1.638 -2.546 -24.147 625 HB2 ALA 92 2HB ALA 92 -2.714 -2.160 -25.491 626 HB3 ALA 92 3HB ALA 92 -3.382 -2.740 -23.965 627 H GLU 93 H GLU 93 -1.983 -5.678 -23.106 628 HA GLU 93 HA GLU 93 -4.715 -6.778 -23.023 629 HB2 GLU 93 2HB GLU 93 -2.041 -7.975 -22.513 630 HB3 GLU 93 3HB GLU 93 -3.374 -8.528 -21.510 631 HG2 GLU 93 2HG GLU 93 -3.784 -8.441 -24.447 632 HG3 GLU 93 3HG GLU 93 -2.752 -9.707 -23.784 633 H MET 94 H MET 94 -5.399 -7.465 -20.777 634 HA MET 94 HA MET 94 -4.741 -5.297 -18.910 635 HB2 MET 94 2HB MET 94 -7.136 -5.699 -19.694 636 HB3 MET 94 3HB MET 94 -7.100 -7.165 -18.723 637 HG2 MET 94 2HG MET 94 -6.694 -5.863 -16.722 638 HG3 MET 94 3HG MET 94 -6.639 -4.382 -17.675 639 HE1 MET 94 1HE MET 94 -8.823 -2.877 -18.002 640 HE2 MET 94 2HE MET 94 -9.986 -3.205 -16.718 641 HE3 MET 94 3HE MET 94 -8.261 -3.145 -16.352 642 H LYS 95 H LYS 95 -4.421 -5.748 -16.683 643 HA LYS 95 HA LYS 95 -2.769 -7.955 -16.154 644 HB2 LYS 95 2HB LYS 95 -2.943 -7.251 -13.780 645 HB3 LYS 95 3HB LYS 95 -2.562 -5.922 -14.866 646 HG2 LYS 95 2HG LYS 95 -5.149 -5.557 -14.853 647 HG3 LYS 95 3HG LYS 95 -5.063 -6.471 -13.345 648 HD2 LYS 95 2HD LYS 95 -3.274 -4.849 -12.607 649 HD3 LYS 95 3HD LYS 95 -3.691 -3.875 -14.018 650 HE2 LYS 95 2HE LYS 95 -6.050 -3.835 -13.183 651 HE3 LYS 95 3HE LYS 95 -5.481 -4.617 -11.709 652 HZ1 LYS 95 1HZ LYS 95 -3.806 -2.484 -12.046 653 HZ2 LYS 95 2HZ LYS 95 -5.097 -2.577 -10.957 654 HZ3 LYS 95 3HZ LYS 95 -5.323 -1.873 -12.479 655 H THR 96 H THR 96 -6.199 -7.409 -15.605 656 HA THR 96 HA THR 96 -6.774 -9.535 -13.913 657 HB THR 96 HB THR 96 -8.737 -8.954 -16.069 658 HG1 THR 96 HG1 THR 96 -8.254 -7.038 -14.033 659 HG21 THR 96 1HG2 THR 96 -9.636 -10.251 -14.364 660 HG22 THR 96 2HG2 THR 96 -10.130 -8.623 -13.899 661 HG23 THR 96 3HG2 THR 96 -8.753 -9.388 -13.106 662 H THR 97 H THR 97 -6.738 -9.467 -17.468 663 HA THR 97 HA THR 97 -7.572 -12.045 -17.992 664 HB THR 97 HB THR 97 -5.392 -10.629 -19.531 665 HG1 THR 97 HG1 THR 97 -6.887 -9.320 -20.294 666 HG21 THR 97 1HG2 THR 97 -5.583 -12.776 -20.421 667 HG22 THR 97 2HG2 THR 97 -6.670 -11.827 -21.435 668 HG23 THR 97 3HG2 THR 97 -7.323 -12.839 -20.148 669 H TYR 98 H TYR 98 -4.179 -10.966 -17.729 670 HA TYR 98 HA TYR 98 -2.966 -13.444 -17.913 671 HB2 TYR 98 2HB TYR 98 -2.203 -10.841 -16.676 672 HB3 TYR 98 3HB TYR 98 -1.224 -12.253 -16.295 673 HD1 TYR 98 HD1 TYR 98 0.288 -13.168 -17.887 674 HD2 TYR 98 HD2 TYR 98 -2.409 -10.087 -19.042 675 HE1 TYR 98 HE1 TYR 98 1.517 -12.892 -20.000 676 HE2 TYR 98 HE2 TYR 98 -1.188 -9.803 -21.158 677 HH TYR 98 HH TYR 98 1.658 -11.792 -21.919 678 H LEU 99 H LEU 99 -4.136 -11.769 -15.011 679 HA LEU 99 HA LEU 99 -3.280 -13.568 -13.083 680 HB2 LEU 99 2HB LEU 99 -4.516 -11.280 -12.902 681 HB3 LEU 99 3HB LEU 99 -5.968 -12.279 -12.872 682 HG LEU 99 HG LEU 99 -4.274 -13.400 -10.955 683 HD11 LEU 99 1HD1 LEU 99 -4.442 -10.483 -10.342 684 HD12 LEU 99 2HD1 LEU 99 -3.081 -11.108 -11.272 685 HD13 LEU 99 3HD1 LEU 99 -3.394 -11.721 -9.649 686 HD21 LEU 99 1HD2 LEU 99 -6.641 -11.548 -10.716 687 HD22 LEU 99 2HD2 LEU 99 -5.961 -12.477 -9.380 688 HD23 LEU 99 3HD2 LEU 99 -6.665 -13.311 -10.766 689 H GLU 100 H GLU 100 -6.278 -13.591 -14.980 690 HA GLU 100 HA GLU 100 -7.401 -15.873 -13.752 691 HB2 GLU 100 2HB GLU 100 -8.563 -14.140 -15.229 692 HB3 GLU 100 3HB GLU 100 -7.905 -15.023 -16.599 693 HG2 GLU 100 2HG GLU 100 -9.173 -16.864 -14.829 694 HG3 GLU 100 3HG GLU 100 -10.275 -15.531 -15.168 695 H ARG 101 H ARG 101 -5.280 -15.452 -16.537 696 HA ARG 101 HA ARG 101 -5.388 -18.063 -17.541 697 HB2 ARG 101 2HB ARG 101 -3.172 -16.012 -17.614 698 HB3 ARG 101 3HB ARG 101 -3.126 -17.526 -18.508 699 HG2 ARG 101 2HG ARG 101 -5.180 -15.348 -18.834 700 HG3 ARG 101 3HG ARG 101 -3.830 -15.677 -19.923 701 HD2 ARG 101 2HD ARG 101 -4.845 -18.058 -20.056 702 HD3 ARG 101 3HD ARG 101 -6.303 -17.291 -19.430 703 HE ARG 101 HE ARG 101 -5.196 -17.023 -22.074 704 HH11 ARG 101 1HH1 ARG 101 -7.261 -15.599 -19.660 705 HH12 ARG 101 2HH1 ARG 101 -8.181 -14.677 -20.803 706 HH21 ARG 101 1HH2 ARG 101 -6.400 -15.815 -23.589 707 HH22 ARG 101 2HH2 ARG 101 -7.691 -14.802 -23.038 708 H LYS 102 H LYS 102 -2.873 -16.620 -15.459 709 HA LYS 102 HA LYS 102 -1.494 -18.992 -14.935 710 HB2 LYS 102 2HB LYS 102 -0.558 -17.790 -12.979 711 HB3 LYS 102 3HB LYS 102 -0.501 -16.840 -14.458 712 HG2 LYS 102 2HG LYS 102 -2.584 -15.688 -13.706 713 HG3 LYS 102 3HG LYS 102 -2.425 -16.535 -12.166 714 HD2 LYS 102 2HD LYS 102 -0.341 -14.709 -13.363 715 HD3 LYS 102 3HD LYS 102 -1.491 -14.248 -12.105 716 HE2 LYS 102 2HE LYS 102 -0.299 -16.601 -11.190 717 HE3 LYS 102 3HE LYS 102 1.018 -15.656 -11.882 718 HZ1 LYS 102 1HZ LYS 102 1.011 -14.406 -10.074 719 HZ2 LYS 102 2HZ LYS 102 -0.273 -15.294 -9.423 720 HZ3 LYS 102 3HZ LYS 102 -0.585 -13.933 -10.378 721 H ALA 103 H ALA 103 -4.203 -17.482 -13.244 722 HA ALA 103 HA ALA 103 -4.287 -19.125 -10.992 723 HB1 ALA 103 1HB ALA 103 -6.360 -17.547 -12.462 724 HB2 ALA 103 2HB ALA 103 -6.815 -18.572 -11.100 725 HB3 ALA 103 3HB ALA 103 -5.657 -17.262 -10.869 726 H GLU 104 H GLU 104 -5.779 -19.550 -14.182 727 HA GLU 104 HA GLU 104 -7.116 -21.971 -13.514 728 HB2 GLU 104 2HB GLU 104 -7.817 -20.519 -15.383 729 HB3 GLU 104 3HB GLU 104 -6.326 -20.905 -16.231 730 HG2 GLU 104 2HG GLU 104 -7.105 -23.354 -16.013 731 HG3 GLU 104 3HG GLU 104 -8.687 -22.651 -15.680 732 H GLU 105 H GLU 105 -3.979 -21.198 -14.906 733 HA GLU 105 HA GLU 105 -3.249 -23.754 -15.777 734 HB2 GLU 105 2HB GLU 105 -2.069 -21.503 -16.165 735 HB3 GLU 105 3HB GLU 105 -1.298 -21.782 -14.610 736 HG2 GLU 105 2HG GLU 105 -0.191 -23.713 -15.394 737 HG3 GLU 105 3HG GLU 105 -1.171 -23.766 -16.859 738 H ILE 106 H ILE 106 -2.271 -22.135 -12.750 739 HA ILE 106 HA ILE 106 -1.055 -24.329 -11.555 740 HB ILE 106 HB ILE 106 -0.808 -22.086 -10.652 741 HG12 ILE 106 2HG1 ILE 106 -2.183 -23.473 -8.406 742 HG13 ILE 106 3HG1 ILE 106 -0.875 -24.337 -9.206 743 HG21 ILE 106 1HG2 ILE 106 -2.555 -20.914 -9.525 744 HG22 ILE 106 2HG2 ILE 106 -3.167 -21.396 -11.107 745 HG23 ILE 106 3HG2 ILE 106 -3.646 -22.292 -9.666 746 HD11 ILE 106 1HD1 ILE 106 0.096 -21.759 -8.754 747 HD12 ILE 106 2HD1 ILE 106 -0.752 -22.223 -7.278 748 HD13 ILE 106 3HD1 ILE 106 0.540 -23.243 -7.911 749 H ALA 107 H ALA 107 -4.442 -23.397 -11.658 750 HA ALA 107 HA ALA 107 -5.430 -25.134 -9.693 751 HB1 ALA 107 1HB ALA 107 -7.309 -24.082 -10.217 752 HB2 ALA 107 2HB ALA 107 -6.506 -23.350 -11.607 753 HB3 ALA 107 3HB ALA 107 -7.344 -24.891 -11.783 754 H ALA 108 H ALA 108 -4.822 -25.624 -13.140 755 HA ALA 108 HA ALA 108 -5.999 -28.163 -13.380 756 HB1 ALA 108 1HB ALA 108 -3.629 -27.154 -14.942 757 HB2 ALA 108 2HB ALA 108 -4.806 -28.370 -15.438 758 HB3 ALA 108 3HB ALA 108 -5.298 -26.685 -15.268 759 H LYS 109 H LYS 109 -2.652 -27.213 -12.661 760 HA LYS 109 HA LYS 109 -1.620 -29.833 -12.487 761 HB2 LYS 109 2HB LYS 109 -0.618 -27.346 -11.091 762 HB3 LYS 109 3HB LYS 109 0.301 -28.815 -11.390 763 HG2 LYS 109 2HG LYS 109 -0.742 -27.865 -13.866 764 HG3 LYS 109 3HG LYS 109 0.065 -26.536 -13.029 765 HD2 LYS 109 2HD LYS 109 1.819 -27.486 -14.188 766 HD3 LYS 109 3HD LYS 109 1.943 -28.305 -12.629 767 HE2 LYS 109 2HE LYS 109 0.326 -30.029 -13.810 768 HE3 LYS 109 3HE LYS 109 1.046 -29.349 -15.269 769 HZ1 LYS 109 1HZ LYS 109 3.172 -30.040 -14.614 770 HZ2 LYS 109 2HZ LYS 109 2.173 -31.362 -14.280 771 HZ3 LYS 109 3HZ LYS 109 2.691 -30.356 -13.024 772 H LYS 110 H LYS 110 -2.469 -27.546 -9.883 773 HA LYS 110 HA LYS 110 -2.425 -29.703 -7.938 774 HB2 LYS 110 2HB LYS 110 -2.550 -26.734 -7.835 775 HB3 LYS 110 3HB LYS 110 -3.262 -27.615 -6.490 776 HG2 LYS 110 2HG LYS 110 -1.169 -27.437 -5.672 777 HG3 LYS 110 3HG LYS 110 -0.922 -28.894 -6.638 778 HD2 LYS 110 2HD LYS 110 -0.226 -27.355 -8.528 779 HD3 LYS 110 3HD LYS 110 -0.199 -26.055 -7.334 780 HE2 LYS 110 2HE LYS 110 1.969 -26.697 -7.161 781 HE3 LYS 110 3HE LYS 110 1.276 -27.855 -6.026 782 HZ1 LYS 110 1HZ LYS 110 2.788 -28.914 -7.595 783 HZ2 LYS 110 2HZ LYS 110 1.838 -28.390 -8.893 784 HZ3 LYS 110 3HZ LYS 110 1.212 -29.501 -7.781 Start of MODEL 6 1 H1 THR 12 H THR 12 0.914 -0.709 0.764 2 HA THR 12 HA THR 12 1.554 0.916 -1.270 3 HB THR 12 HB THR 12 3.051 -0.847 -2.181 4 HG1 THR 12 HG1 THR 12 2.905 -2.910 -1.450 5 HG21 THR 12 1HG2 THR 12 4.457 -0.356 -0.520 6 HG22 THR 12 2HG2 THR 12 3.546 -1.352 0.615 7 HG23 THR 12 3HG2 THR 12 3.091 0.332 0.357 8 H ASP 13 H ASP 13 1.299 1.073 -3.471 9 HA ASP 13 HA ASP 13 -0.615 -0.788 -4.715 10 HB2 ASP 13 2HB ASP 13 -1.567 1.105 -5.968 11 HB3 ASP 13 3HB ASP 13 -1.751 1.322 -4.230 12 H HIS 14 H HIS 14 0.030 -1.664 -6.577 13 HA HIS 14 HA HIS 14 2.272 -0.398 -8.010 14 HB2 HIS 14 2HB HIS 14 2.928 -2.780 -8.644 15 HB3 HIS 14 3HB HIS 14 3.233 -2.298 -6.978 16 HD1 HIS 14 HD1 HIS 14 2.419 -3.882 -5.261 17 HD2 HIS 14 HD2 HIS 14 0.381 -4.313 -8.856 18 HE1 HIS 14 HE1 HIS 14 0.885 -5.847 -4.932 19 H GLN 15 H GLN 15 2.062 -0.178 -10.168 20 HA GLN 15 HA GLN 15 -0.241 -1.484 -11.458 21 HB2 GLN 15 2HB GLN 15 -0.616 0.537 -12.774 22 HB3 GLN 15 3HB GLN 15 -0.733 0.886 -11.055 23 HG2 GLN 15 2HG GLN 15 1.649 1.681 -11.165 24 HG3 GLN 15 3HG GLN 15 1.526 1.551 -12.919 25 HE21 GLN 15 1HE2 GLN 15 0.522 3.285 -10.092 26 HE22 GLN 15 2HE2 GLN 15 -0.190 4.627 -10.914 27 H THR 16 H THR 16 0.214 -2.585 -13.251 28 HA THR 16 HA THR 16 2.538 -1.867 -14.863 29 HB THR 16 HB THR 16 2.160 -4.704 -13.897 30 HG1 THR 16 HG1 THR 16 3.951 -2.673 -13.008 31 HG21 THR 16 1HG2 THR 16 3.346 -4.925 -15.848 32 HG22 THR 16 2HG2 THR 16 4.673 -4.635 -14.723 33 HG23 THR 16 3HG2 THR 16 4.061 -3.319 -15.723 34 H VAL 17 H VAL 17 2.152 -2.086 -16.982 35 HA VAL 17 HA VAL 17 -0.251 -3.591 -17.786 36 HB VAL 17 HB VAL 17 1.018 -1.273 -19.248 37 HG11 VAL 17 1HG1 VAL 17 -0.134 -2.624 -20.803 38 HG12 VAL 17 2HG1 VAL 17 -1.485 -2.880 -19.696 39 HG13 VAL 17 3HG1 VAL 17 -1.226 -1.293 -20.422 40 HG21 VAL 17 1HG2 VAL 17 0.140 -0.258 -17.357 41 HG22 VAL 17 2HG2 VAL 17 -1.201 -0.160 -18.499 42 HG23 VAL 17 3HG2 VAL 17 -1.201 -1.397 -17.243 43 H TYR 18 H TYR 18 -0.177 -4.875 -19.637 44 HA TYR 18 HA TYR 18 2.541 -5.567 -20.532 45 HB2 TYR 18 2HB TYR 18 0.093 -7.330 -20.682 46 HB3 TYR 18 3HB TYR 18 1.770 -7.801 -20.932 47 HD1 TYR 18 HD1 TYR 18 3.271 -8.116 -19.041 48 HD2 TYR 18 HD2 TYR 18 -0.794 -7.009 -18.447 49 HE1 TYR 18 HE1 TYR 18 3.461 -8.716 -16.663 50 HE2 TYR 18 HE2 TYR 18 -0.615 -7.605 -16.067 51 HH TYR 18 HH TYR 18 2.462 -8.649 -14.661 52 H VAL 19 H VAL 19 3.060 -5.278 -22.601 53 HA VAL 19 HA VAL 19 0.891 -4.950 -24.567 54 HB VAL 19 HB VAL 19 3.442 -3.334 -24.539 55 HG11 VAL 19 1HG1 VAL 19 1.206 -3.658 -26.430 56 HG12 VAL 19 2HG1 VAL 19 1.722 -1.997 -26.129 57 HG13 VAL 19 3HG1 VAL 19 2.881 -3.190 -26.720 58 HG21 VAL 19 1HG2 VAL 19 1.400 -1.554 -24.198 59 HG22 VAL 19 2HG2 VAL 19 0.865 -2.916 -23.213 60 HG23 VAL 19 3HG2 VAL 19 2.433 -2.170 -22.908 61 H LYS 20 H LYS 20 1.297 -5.695 -26.647 62 HA LYS 20 HA LYS 20 2.817 -7.976 -26.953 63 HB2 LYS 20 2HB LYS 20 2.638 -7.457 -29.457 64 HB3 LYS 20 3HB LYS 20 1.137 -7.617 -28.554 65 HG2 LYS 20 2HG LYS 20 0.578 -5.450 -28.831 66 HG3 LYS 20 3HG LYS 20 2.251 -4.893 -28.749 67 HD2 LYS 20 2HD LYS 20 1.406 -6.503 -31.107 68 HD3 LYS 20 3HD LYS 20 0.881 -4.820 -31.006 69 HE2 LYS 20 2HE LYS 20 2.899 -4.088 -31.590 70 HE3 LYS 20 3HE LYS 20 3.673 -5.060 -30.339 71 HZ1 LYS 20 1HZ LYS 20 3.546 -5.513 -33.143 72 HZ2 LYS 20 2HZ LYS 20 2.944 -6.845 -32.293 73 HZ3 LYS 20 3HZ LYS 20 4.505 -6.277 -31.978 74 HA PRO 21 HA PRO 21 6.997 -6.787 -27.563 75 HB2 PRO 21 2HB PRO 21 7.816 -8.586 -29.425 76 HB3 PRO 21 3HB PRO 21 7.493 -9.023 -27.743 77 HG2 PRO 21 2HG PRO 21 5.749 -9.351 -30.154 78 HG3 PRO 21 3HG PRO 21 6.050 -10.489 -28.827 79 HD2 PRO 21 2HD PRO 21 3.817 -8.963 -28.960 80 HD3 PRO 21 3HD PRO 21 4.560 -9.436 -27.419 81 H VAL 22 H VAL 22 8.569 -6.007 -29.152 82 HA VAL 22 HA VAL 22 7.229 -4.732 -31.443 83 HB VAL 22 HB VAL 22 9.230 -3.159 -31.374 84 HG11 VAL 22 1HG1 VAL 22 7.877 -2.730 -28.812 85 HG12 VAL 22 2HG1 VAL 22 7.936 -1.711 -30.252 86 HG13 VAL 22 3HG1 VAL 22 6.790 -3.049 -30.164 87 HG21 VAL 22 1HG2 VAL 22 10.637 -3.084 -29.532 88 HG22 VAL 22 2HG2 VAL 22 9.544 -4.038 -28.529 89 HG23 VAL 22 3HG2 VAL 22 10.468 -4.817 -29.814 90 HA PRO 23 HA PRO 23 9.740 -6.883 -34.331 91 HB2 PRO 23 2HB PRO 23 10.082 -4.996 -36.252 92 HB3 PRO 23 3HB PRO 23 8.544 -5.824 -35.982 93 HG2 PRO 23 2HG PRO 23 9.422 -3.114 -35.063 94 HG3 PRO 23 3HG PRO 23 7.862 -3.615 -35.741 95 HD2 PRO 23 2HD PRO 23 8.254 -3.273 -33.083 96 HD3 PRO 23 3HD PRO 23 7.126 -4.479 -33.735 97 HA PRO 24 HA PRO 24 14.023 -6.005 -33.856 98 HB2 PRO 24 2HB PRO 24 15.053 -6.715 -36.265 99 HB3 PRO 24 3HB PRO 24 14.459 -7.894 -35.089 100 HG2 PRO 24 2HG PRO 24 13.096 -6.784 -37.513 101 HG3 PRO 24 3HG PRO 24 13.148 -8.456 -36.926 102 HD2 PRO 24 2HD PRO 24 11.019 -6.834 -36.518 103 HD3 PRO 24 3HD PRO 24 11.498 -8.089 -35.358 104 H THR 25 H THR 25 12.292 -4.460 -36.433 105 HA THR 25 HA THR 25 14.443 -2.663 -37.134 106 HB THR 25 HB THR 25 11.710 -1.931 -37.959 107 HG1 THR 25 HG1 THR 25 11.189 -3.899 -38.527 108 HG21 THR 25 1HG2 THR 25 13.112 -2.225 -40.221 109 HG22 THR 25 2HG2 THR 25 14.449 -2.052 -39.084 110 HG23 THR 25 3HG2 THR 25 13.227 -0.786 -39.209 111 H ALA 26 H ALA 26 11.454 -2.541 -35.261 112 HA ALA 26 HA ALA 26 11.367 0.212 -34.777 113 HB1 ALA 26 1HB ALA 26 10.047 -0.431 -32.736 114 HB2 ALA 26 2HB ALA 26 9.456 -1.097 -34.260 115 HB3 ALA 26 3HB ALA 26 10.372 -2.115 -33.148 116 H THR 27 H THR 27 13.065 1.329 -34.042 117 HA THR 27 HA THR 27 14.883 0.194 -32.094 118 HB THR 27 HB THR 27 16.015 2.459 -32.282 119 HG1 THR 27 HG1 THR 27 14.816 3.929 -33.219 120 HG21 THR 27 1HG2 THR 27 16.242 1.829 -34.994 121 HG22 THR 27 2HG2 THR 27 15.848 0.304 -34.199 122 HG23 THR 27 3HG2 THR 27 17.252 1.233 -33.677 123 H LEU 28 H LEU 28 15.615 1.849 -30.318 124 HA LEU 28 HA LEU 28 13.403 2.167 -28.558 125 HB2 LEU 28 2HB LEU 28 15.597 1.618 -27.710 126 HB3 LEU 28 3HB LEU 28 16.256 3.117 -28.361 127 HG LEU 28 HG LEU 28 14.053 3.536 -26.489 128 HD11 LEU 28 1HD1 LEU 28 16.583 2.208 -25.531 129 HD12 LEU 28 2HD1 LEU 28 14.944 1.567 -25.418 130 HD13 LEU 28 3HD1 LEU 28 15.396 2.998 -24.492 131 HD21 LEU 28 1HD2 LEU 28 15.914 5.100 -27.522 132 HD22 LEU 28 2HD2 LEU 28 16.821 4.554 -26.111 133 HD23 LEU 28 3HD2 LEU 28 15.272 5.375 -25.902 134 H GLU 29 H GLU 29 15.399 4.418 -30.422 135 HA GLU 29 HA GLU 29 14.326 6.804 -29.416 136 HB2 GLU 29 2HB GLU 29 16.388 6.557 -30.847 137 HB3 GLU 29 3HB GLU 29 15.323 6.366 -32.232 138 HG2 GLU 29 2HG GLU 29 14.809 8.554 -32.315 139 HG3 GLU 29 3HG GLU 29 14.836 8.740 -30.563 140 H GLN 30 H GLN 30 13.316 4.756 -32.117 141 HA GLN 30 HA GLN 30 11.261 6.471 -33.042 142 HB2 GLN 30 2HB GLN 30 12.426 4.367 -34.138 143 HB3 GLN 30 3HB GLN 30 11.079 3.512 -33.399 144 HG2 GLN 30 2HG GLN 30 10.235 3.958 -35.475 145 HG3 GLN 30 3HG GLN 30 9.642 5.347 -34.564 146 HE21 GLN 30 1HE2 GLN 30 11.856 4.237 -36.989 147 HE22 GLN 30 2HE2 GLN 30 12.318 5.795 -37.576 148 H LEU 31 H LEU 31 11.267 3.682 -30.854 149 HA LEU 31 HA LEU 31 8.515 3.488 -30.440 150 HB2 LEU 31 2HB LEU 31 10.941 2.531 -29.147 151 HB3 LEU 31 3HB LEU 31 9.624 2.805 -28.009 152 HG LEU 31 HG LEU 31 9.289 1.119 -30.477 153 HD11 LEU 31 1HD1 LEU 31 11.013 -0.010 -29.372 154 HD12 LEU 31 2HD1 LEU 31 9.540 -0.803 -28.815 155 HD13 LEU 31 3HD1 LEU 31 10.359 0.364 -27.777 156 HD21 LEU 31 1HD2 LEU 31 7.275 1.987 -29.315 157 HD22 LEU 31 2HD2 LEU 31 7.802 1.151 -27.854 158 HD23 LEU 31 3HD2 LEU 31 7.393 0.227 -29.300 159 H THR 32 H THR 32 10.948 5.258 -28.535 160 HA THR 32 HA THR 32 9.148 6.381 -26.692 161 HB THR 32 HB THR 32 11.703 7.717 -27.569 162 HG1 THR 32 HG1 THR 32 12.819 6.162 -26.639 163 HG21 THR 32 1HG2 THR 32 10.670 9.084 -26.002 164 HG22 THR 32 2HG2 THR 32 11.722 8.090 -24.995 165 HG23 THR 32 3HG2 THR 32 10.001 7.721 -25.106 166 H GLU 33 H GLU 33 10.405 7.590 -29.777 167 HA GLU 33 HA GLU 33 9.358 10.160 -29.712 168 HB2 GLU 33 2HB GLU 33 10.914 9.427 -31.437 169 HB3 GLU 33 3HB GLU 33 9.711 8.321 -32.085 170 HG2 GLU 33 2HG GLU 33 8.678 9.926 -33.241 171 HG3 GLU 33 3HG GLU 33 8.803 11.092 -31.925 172 H PHE 34 H PHE 34 7.863 7.194 -30.986 173 HA PHE 34 HA PHE 34 5.429 8.402 -31.746 174 HB2 PHE 34 2HB PHE 34 6.476 5.666 -31.480 175 HB3 PHE 34 3HB PHE 34 4.737 5.802 -31.242 176 HD1 PHE 34 HD1 PHE 34 7.382 6.996 -33.587 177 HD2 PHE 34 HD2 PHE 34 3.385 5.621 -33.086 178 HE1 PHE 34 HE1 PHE 34 7.059 7.055 -36.026 179 HE2 PHE 34 HE2 PHE 34 3.056 5.676 -35.523 180 HZ PHE 34 HZ PHE 34 4.895 6.393 -36.997 181 H PHE 35 H PHE 35 6.444 6.748 -28.787 182 HA PHE 35 HA PHE 35 4.014 6.637 -27.458 183 HB2 PHE 35 2HB PHE 35 6.843 6.536 -26.710 184 HB3 PHE 35 3HB PHE 35 5.809 7.169 -25.435 185 HD1 PHE 35 HD1 PHE 35 3.614 5.763 -25.014 186 HD2 PHE 35 HD2 PHE 35 7.159 4.268 -26.835 187 HE1 PHE 35 HE1 PHE 35 2.953 3.471 -24.412 188 HE2 PHE 35 HE2 PHE 35 6.503 1.974 -26.236 189 HZ PHE 35 HZ PHE 35 4.398 1.572 -25.024 190 H SER 36 H SER 36 6.493 9.185 -27.152 191 HA SER 36 HA SER 36 5.040 10.907 -25.524 192 HB2 SER 36 2HB SER 36 7.501 10.982 -26.940 193 HB3 SER 36 3HB SER 36 6.623 12.459 -27.337 194 HG SER 36 HG SER 36 6.438 12.884 -25.124 195 H LYS 37 H LYS 37 4.975 10.484 -29.006 196 HA LYS 37 HA LYS 37 3.523 12.795 -29.678 197 HB2 LYS 37 2HB LYS 37 4.729 10.983 -31.162 198 HB3 LYS 37 3HB LYS 37 3.133 10.244 -31.189 199 HG2 LYS 37 2HG LYS 37 2.384 12.672 -31.869 200 HG3 LYS 37 3HG LYS 37 4.066 12.796 -32.391 201 HD2 LYS 37 2HD LYS 37 2.894 10.296 -33.239 202 HD3 LYS 37 3HD LYS 37 1.939 11.669 -33.804 203 HE2 LYS 37 2HE LYS 37 4.925 11.451 -34.147 204 HE3 LYS 37 3HE LYS 37 3.761 10.919 -35.360 205 HZ1 LYS 37 1HZ LYS 37 4.775 13.308 -35.436 206 HZ2 LYS 37 2HZ LYS 37 3.551 13.652 -34.320 207 HZ3 LYS 37 3HZ LYS 37 3.156 13.049 -35.851 208 H HIS 38 H HIS 38 2.510 9.617 -28.571 209 HA HIS 38 HA HIS 38 -0.144 10.687 -28.024 210 HB2 HIS 38 2HB HIS 38 -0.038 9.501 -30.334 211 HB3 HIS 38 3HB HIS 38 0.048 8.017 -29.389 212 HD1 HIS 38 HD1 HIS 38 -2.167 11.106 -29.081 213 HD2 HIS 38 HD2 HIS 38 -2.434 6.968 -29.343 214 HE1 HIS 38 HE1 HIS 38 -4.619 10.578 -28.904 215 H GLY 39 H GLY 39 -0.388 10.330 -25.919 216 HA2 GLY 39 2HA GLY 39 -0.861 8.885 -24.105 217 HA3 GLY 39 3HA GLY 39 0.084 7.629 -24.892 218 H THR 40 H THR 40 0.125 8.917 -22.143 219 HA THR 40 HA THR 40 2.965 9.705 -22.129 220 HB THR 40 HB THR 40 1.176 10.276 -19.803 221 HG1 THR 40 HG1 THR 40 1.132 11.562 -22.319 222 HG21 THR 40 1HG2 THR 40 3.109 11.196 -19.155 223 HG22 THR 40 2HG2 THR 40 2.808 12.448 -20.361 224 HG23 THR 40 3HG2 THR 40 3.803 11.051 -20.769 225 H VAL 41 H VAL 41 4.276 8.164 -21.423 226 HA VAL 41 HA VAL 41 3.286 6.311 -19.353 227 HB VAL 41 HB VAL 41 5.032 4.713 -20.251 228 HG11 VAL 41 1HG1 VAL 41 2.433 4.980 -20.855 229 HG12 VAL 41 2HG1 VAL 41 3.129 5.154 -22.467 230 HG13 VAL 41 3HG1 VAL 41 3.453 3.703 -21.517 231 HG21 VAL 41 1HG2 VAL 41 6.053 5.053 -22.310 232 HG22 VAL 41 2HG2 VAL 41 4.916 6.316 -22.779 233 HG23 VAL 41 3HG2 VAL 41 6.147 6.646 -21.559 234 H GLN 42 H GLN 42 4.606 5.839 -17.624 235 HA GLN 42 HA GLN 42 6.528 7.818 -16.911 236 HB2 GLN 42 2HB GLN 42 4.938 6.168 -15.482 237 HB3 GLN 42 3HB GLN 42 6.456 5.286 -15.380 238 HG2 GLN 42 2HG GLN 42 6.587 8.179 -14.826 239 HG3 GLN 42 3HG GLN 42 5.727 7.189 -13.648 240 HE21 GLN 42 1HE2 GLN 42 7.156 7.236 -12.005 241 HE22 GLN 42 2HE2 GLN 42 8.762 6.607 -12.091 242 H ALA 43 H ALA 43 6.846 4.289 -17.344 243 HA ALA 43 HA ALA 43 9.391 4.636 -18.667 244 HB1 ALA 43 1HB ALA 43 10.150 4.742 -16.393 245 HB2 ALA 43 2HB ALA 43 9.233 3.295 -15.972 246 HB3 ALA 43 3HB ALA 43 10.612 3.178 -17.066 247 H VAL 44 H VAL 44 10.329 2.482 -19.304 248 HA VAL 44 HA VAL 44 8.373 0.317 -19.426 249 HB VAL 44 HB VAL 44 7.912 1.592 -21.446 250 HG11 VAL 44 1HG1 VAL 44 10.753 1.112 -22.308 251 HG12 VAL 44 2HG1 VAL 44 9.531 2.121 -23.084 252 HG13 VAL 44 3HG1 VAL 44 10.227 2.609 -21.538 253 HG21 VAL 44 1HG2 VAL 44 7.891 -0.921 -21.450 254 HG22 VAL 44 2HG2 VAL 44 8.087 -0.172 -23.034 255 HG23 VAL 44 3HG2 VAL 44 9.483 -0.863 -22.207 256 H TRP 45 H TRP 45 9.264 -1.715 -19.691 257 HA TRP 45 HA TRP 45 12.027 -2.086 -20.364 258 HB2 TRP 45 2HB TRP 45 11.239 -1.823 -17.565 259 HB3 TRP 45 3HB TRP 45 12.052 -3.349 -17.900 260 HD1 TRP 45 HD1 TRP 45 14.506 -2.978 -19.327 261 HE1 TRP 45 HE1 TRP 45 16.330 -1.235 -18.818 262 HE3 TRP 45 HE3 TRP 45 11.716 0.353 -16.633 263 HZ2 TRP 45 HZ2 TRP 45 16.557 1.226 -17.454 264 HZ3 TRP 45 HZ3 TRP 45 12.813 2.376 -15.761 265 HH2 TRP 45 HH2 TRP 45 15.183 2.802 -16.164 266 H ARG 46 H ARG 46 12.663 -4.443 -20.065 267 HA ARG 46 HA ARG 46 10.535 -6.359 -19.833 268 HB2 ARG 46 2HB ARG 46 10.731 -7.241 -22.125 269 HB3 ARG 46 3HB ARG 46 10.112 -5.595 -22.104 270 HG2 ARG 46 2HG ARG 46 13.036 -6.003 -22.444 271 HG3 ARG 46 3HG ARG 46 11.967 -6.343 -23.806 272 HD2 ARG 46 2HD ARG 46 11.264 -3.847 -22.549 273 HD3 ARG 46 3HD ARG 46 12.967 -3.858 -23.007 274 HE ARG 46 HE ARG 46 11.339 -4.815 -25.124 275 HH11 ARG 46 1HH1 ARG 46 12.312 -1.900 -23.489 276 HH12 ARG 46 2HH1 ARG 46 12.067 -0.886 -24.872 277 HH21 ARG 46 1HH2 ARG 46 11.013 -3.491 -26.953 278 HH22 ARG 46 2HH2 ARG 46 11.327 -1.792 -26.842 279 H ARG 47 H ARG 47 11.280 -8.468 -19.612 280 HA ARG 47 HA ARG 47 14.101 -9.032 -20.014 281 HB2 ARG 47 2HB ARG 47 14.543 -9.682 -17.743 282 HB3 ARG 47 3HB ARG 47 13.935 -8.032 -17.734 283 HG2 ARG 47 2HG ARG 47 11.704 -9.738 -17.466 284 HG3 ARG 47 3HG ARG 47 12.946 -10.315 -16.354 285 HD2 ARG 47 2HD ARG 47 13.177 -8.009 -15.485 286 HD3 ARG 47 3HD ARG 47 11.852 -7.511 -16.536 287 HE ARG 47 HE ARG 47 10.374 -8.457 -15.065 288 HH11 ARG 47 1HH1 ARG 47 13.585 -9.601 -14.359 289 HH12 ARG 47 2HH1 ARG 47 13.121 -10.391 -12.888 290 HH21 ARG 47 1HH2 ARG 47 9.751 -9.492 -13.130 291 HH22 ARG 47 2HH2 ARG 47 10.940 -10.329 -12.190 292 H TYR 48 H TYR 48 14.612 -11.322 -19.700 293 HA TYR 48 HA TYR 48 12.299 -13.113 -19.670 294 HB2 TYR 48 2HB TYR 48 13.348 -14.342 -21.649 295 HB3 TYR 48 3HB TYR 48 12.538 -12.820 -22.002 296 HD1 TYR 48 HD1 TYR 48 15.734 -14.573 -21.902 297 HD2 TYR 48 HD2 TYR 48 13.838 -10.828 -22.594 298 HE1 TYR 48 HE1 TYR 48 17.781 -13.744 -22.983 299 HE2 TYR 48 HE2 TYR 48 15.880 -9.988 -23.679 300 HH TYR 48 HH TYR 48 17.887 -11.032 -24.883 301 H PHE 49 H PHE 49 12.658 -14.848 -18.453 302 HA PHE 49 HA PHE 49 15.319 -15.297 -17.389 303 HB2 PHE 49 2HB PHE 49 12.592 -15.865 -16.557 304 HB3 PHE 49 3HB PHE 49 13.637 -17.270 -16.366 305 HD1 PHE 49 HD1 PHE 49 13.973 -13.588 -15.825 306 HD2 PHE 49 HD2 PHE 49 14.464 -17.512 -14.250 307 HE1 PHE 49 HE1 PHE 49 14.862 -12.636 -13.738 308 HE2 PHE 49 HE2 PHE 49 15.353 -16.566 -12.160 309 HZ PHE 49 HZ PHE 49 15.553 -14.125 -11.902 310 H ALA 50 H ALA 50 16.703 -16.678 -18.257 311 HA ALA 50 HA ALA 50 15.911 -18.482 -20.343 312 HB1 ALA 50 1HB ALA 50 18.272 -17.217 -19.615 313 HB2 ALA 50 2HB ALA 50 18.583 -18.931 -19.333 314 HB3 ALA 50 3HB ALA 50 18.056 -18.380 -20.924 315 H GLY 51 H GLY 51 16.722 -18.744 -16.939 316 HA2 GLY 51 2HA GLY 51 16.117 -20.467 -15.492 317 HA3 GLY 51 3HA GLY 51 15.603 -21.417 -16.879 318 H LYS 52 H LYS 52 17.921 -21.079 -14.497 319 HA LYS 52 HA LYS 52 19.598 -23.096 -15.794 320 HB2 LYS 52 2HB LYS 52 20.551 -20.710 -16.027 321 HB3 LYS 52 3HB LYS 52 20.866 -20.812 -14.300 322 HG2 LYS 52 2HG LYS 52 22.874 -21.482 -15.191 323 HG3 LYS 52 3HG LYS 52 22.071 -23.030 -14.915 324 HD2 LYS 52 2HD LYS 52 21.380 -21.997 -17.508 325 HD3 LYS 52 3HD LYS 52 23.134 -22.055 -17.322 326 HE2 LYS 52 2HE LYS 52 22.724 -24.437 -16.409 327 HE3 LYS 52 3HE LYS 52 21.141 -24.289 -17.170 328 HZ1 LYS 52 1HZ LYS 52 23.239 -25.243 -18.441 329 HZ2 LYS 52 2HZ LYS 52 23.462 -23.605 -18.798 330 HZ3 LYS 52 3HZ LYS 52 22.022 -24.377 -19.237 331 H LYS 53 H LYS 53 17.892 -23.969 -14.061 332 HA LYS 53 HA LYS 53 19.507 -24.692 -11.764 333 HB2 LYS 53 2HB LYS 53 17.775 -24.131 -10.125 334 HB3 LYS 53 3HB LYS 53 18.343 -22.694 -10.964 335 HG2 LYS 53 2HG LYS 53 16.105 -23.787 -12.366 336 HG3 LYS 53 3HG LYS 53 15.700 -23.594 -10.659 337 HD2 LYS 53 2HD LYS 53 15.957 -21.312 -10.718 338 HD3 LYS 53 3HD LYS 53 17.102 -21.368 -12.060 339 HE2 LYS 53 2HE LYS 53 15.473 -21.318 -13.619 340 HE3 LYS 53 3HE LYS 53 14.391 -22.337 -12.671 341 HZ1 LYS 53 1HZ LYS 53 13.269 -20.529 -12.118 342 HZ2 LYS 53 2HZ LYS 53 14.351 -19.543 -12.966 343 HZ3 LYS 53 3HZ LYS 53 14.635 -19.904 -11.338 344 H ASP 54 H ASP 54 18.076 -26.240 -10.315 345 HA ASP 54 HA ASP 54 16.914 -28.188 -12.175 346 HB2 ASP 54 2HB ASP 54 18.853 -28.750 -10.570 347 HB3 ASP 54 3HB ASP 54 17.629 -28.734 -9.302 348 H ALA 55 H ALA 55 15.477 -25.829 -11.164 349 HA ALA 55 HA ALA 55 13.333 -27.188 -9.665 350 HB1 ALA 55 1HB ALA 55 14.684 -24.749 -9.130 351 HB2 ALA 55 2HB ALA 55 13.006 -24.375 -9.526 352 HB3 ALA 55 3HB ALA 55 13.373 -25.505 -8.223 353 HA PRO 56 HA PRO 56 10.487 -26.478 -12.928 354 HB2 PRO 56 2HB PRO 56 8.217 -25.823 -11.591 355 HB3 PRO 56 3HB PRO 56 8.880 -27.461 -11.612 356 HG2 PRO 56 2HG PRO 56 9.123 -25.347 -9.507 357 HG3 PRO 56 3HG PRO 56 8.810 -27.082 -9.319 358 HD2 PRO 56 2HD PRO 56 11.259 -25.993 -8.932 359 HD3 PRO 56 3HD PRO 56 11.034 -27.637 -9.562 360 HA PRO 57 HA PRO 57 10.096 -22.237 -14.020 361 HB2 PRO 57 2HB PRO 57 7.729 -22.173 -15.346 362 HB3 PRO 57 3HB PRO 57 9.184 -22.922 -16.014 363 HG2 PRO 57 2HG PRO 57 6.846 -24.205 -14.653 364 HG3 PRO 57 3HG PRO 57 7.720 -24.727 -16.105 365 HD2 PRO 57 2HD PRO 57 8.153 -25.828 -13.670 366 HD3 PRO 57 3HD PRO 57 9.435 -25.669 -14.887 367 H GLU 58 H GLU 58 9.883 -21.058 -12.145 368 HA GLU 58 HA GLU 58 7.251 -20.850 -10.897 369 HB2 GLU 58 2HB GLU 58 9.134 -21.177 -9.399 370 HB3 GLU 58 3HB GLU 58 9.949 -19.770 -10.068 371 HG2 GLU 58 2HG GLU 58 8.925 -19.313 -7.893 372 HG3 GLU 58 3HG GLU 58 8.252 -18.308 -9.175 373 H SER 59 H SER 59 9.696 -18.816 -12.452 374 HA SER 59 HA SER 59 7.949 -16.495 -12.335 375 HB2 SER 59 2HB SER 59 10.178 -15.912 -13.953 376 HB3 SER 59 3HB SER 59 9.929 -15.448 -12.270 377 HG SER 59 HG SER 59 11.613 -17.307 -13.327 378 H ARG 60 H ARG 60 7.641 -15.199 -14.358 379 HA ARG 60 HA ARG 60 6.908 -17.008 -16.555 380 HB2 ARG 60 2HB ARG 60 5.893 -14.219 -15.976 381 HB3 ARG 60 3HB ARG 60 5.302 -15.303 -17.229 382 HG2 ARG 60 2HG ARG 60 5.173 -15.917 -14.287 383 HG3 ARG 60 3HG ARG 60 3.863 -15.167 -15.201 384 HD2 ARG 60 2HD ARG 60 4.841 -17.534 -16.532 385 HD3 ARG 60 3HD ARG 60 4.355 -17.895 -14.876 386 HE ARG 60 HE ARG 60 2.380 -16.328 -16.150 387 HH11 ARG 60 1HH1 ARG 60 3.699 -19.550 -16.107 388 HH12 ARG 60 2HH1 ARG 60 2.224 -20.301 -16.620 389 HH21 ARG 60 1HH2 ARG 60 0.433 -17.305 -16.825 390 HH22 ARG 60 2HH2 ARG 60 0.367 -19.023 -17.029 391 H THR 61 H THR 61 8.149 -16.981 -18.298 392 HA THR 61 HA THR 61 9.688 -14.541 -18.899 393 HB THR 61 HB THR 61 11.240 -16.277 -18.439 394 HG1 THR 61 HG1 THR 61 12.353 -16.074 -20.261 395 HG21 THR 61 1HG2 THR 61 9.215 -17.962 -19.668 396 HG22 THR 61 2HG2 THR 61 10.497 -18.386 -18.534 397 HG23 THR 61 3HG2 THR 61 10.835 -18.322 -20.264 398 H LYS 62 H LYS 62 8.592 -13.440 -20.408 399 HA LYS 62 HA LYS 62 7.938 -14.836 -22.901 400 HB2 LYS 62 2HB LYS 62 5.846 -13.325 -22.986 401 HB3 LYS 62 3HB LYS 62 5.795 -14.765 -21.978 402 HG2 LYS 62 2HG LYS 62 6.755 -12.411 -20.558 403 HG3 LYS 62 3HG LYS 62 5.119 -12.227 -21.197 404 HD2 LYS 62 2HD LYS 62 6.022 -14.600 -19.572 405 HD3 LYS 62 3HD LYS 62 5.256 -13.171 -18.873 406 HE2 LYS 62 2HE LYS 62 3.267 -14.042 -19.335 407 HE3 LYS 62 3HE LYS 62 3.658 -13.982 -21.053 408 HZ1 LYS 62 1HZ LYS 62 3.596 -16.183 -21.040 409 HZ2 LYS 62 2HZ LYS 62 3.419 -16.238 -19.359 410 HZ3 LYS 62 3HZ LYS 62 4.965 -16.196 -20.045 411 HA PRO 63 HA PRO 63 9.767 -11.390 -24.910 412 HB2 PRO 63 2HB PRO 63 8.272 -11.202 -27.168 413 HB3 PRO 63 3HB PRO 63 9.435 -12.504 -26.892 414 HG2 PRO 63 2HG PRO 63 6.462 -12.513 -26.540 415 HG3 PRO 63 3HG PRO 63 7.508 -13.753 -27.258 416 HD2 PRO 63 2HD PRO 63 6.559 -13.934 -24.729 417 HD3 PRO 63 3HD PRO 63 8.139 -14.589 -25.205 418 H SER 64 H SER 64 6.438 -11.300 -24.024 419 HA SER 64 HA SER 64 5.589 -8.835 -24.930 420 HB2 SER 64 2HB SER 64 4.915 -9.671 -22.133 421 HB3 SER 64 3HB SER 64 3.870 -8.984 -23.377 422 HG SER 64 HG SER 64 3.682 -10.926 -24.320 423 H VAL 65 H VAL 65 5.600 -6.739 -24.069 424 HA VAL 65 HA VAL 65 7.918 -6.177 -22.355 425 HB VAL 65 HB VAL 65 7.660 -3.823 -23.186 426 HG11 VAL 65 1HG1 VAL 65 9.056 -5.814 -24.229 427 HG12 VAL 65 2HG1 VAL 65 7.975 -5.533 -25.595 428 HG13 VAL 65 3HG1 VAL 65 8.994 -4.226 -24.993 429 HG21 VAL 65 1HG2 VAL 65 5.185 -4.596 -23.978 430 HG22 VAL 65 2HG2 VAL 65 6.033 -3.182 -24.604 431 HG23 VAL 65 3HG2 VAL 65 6.073 -4.702 -25.498 432 H PHE 66 H PHE 66 7.760 -4.759 -20.599 433 HA PHE 66 HA PHE 66 5.027 -4.447 -19.551 434 HB2 PHE 66 2HB PHE 66 7.580 -4.406 -17.939 435 HB3 PHE 66 3HB PHE 66 5.931 -4.563 -17.342 436 HD1 PHE 66 HD1 PHE 66 8.858 -6.290 -18.347 437 HD2 PHE 66 HD2 PHE 66 4.627 -6.658 -18.066 438 HE1 PHE 66 HE1 PHE 66 9.069 -8.740 -18.432 439 HE2 PHE 66 HE2 PHE 66 4.831 -9.109 -18.150 440 HZ PHE 66 HZ PHE 66 7.054 -10.153 -18.332 441 H VAL 67 H VAL 67 4.233 -2.465 -19.326 442 HA VAL 67 HA VAL 67 6.115 -0.197 -19.234 443 HB VAL 67 HB VAL 67 4.501 1.151 -20.483 444 HG11 VAL 67 1HG1 VAL 67 5.758 -1.270 -21.598 445 HG12 VAL 67 2HG1 VAL 67 4.557 -0.483 -22.624 446 HG13 VAL 67 3HG1 VAL 67 5.956 0.423 -22.047 447 HG21 VAL 67 1HG2 VAL 67 2.581 0.070 -21.586 448 HG22 VAL 67 2HG2 VAL 67 2.928 -1.416 -20.702 449 HG23 VAL 67 3HG2 VAL 67 2.448 0.039 -19.828 450 H VAL 68 H VAL 68 5.634 1.484 -17.858 451 HA VAL 68 HA VAL 68 3.328 1.067 -16.067 452 HB VAL 68 HB VAL 68 6.024 2.227 -15.348 453 HG11 VAL 68 1HG1 VAL 68 3.517 1.820 -13.729 454 HG12 VAL 68 2HG1 VAL 68 5.102 2.133 -13.018 455 HG13 VAL 68 3HG1 VAL 68 4.351 3.337 -14.065 456 HG21 VAL 68 1HG2 VAL 68 5.198 -0.449 -15.536 457 HG22 VAL 68 2HG2 VAL 68 6.673 0.173 -14.797 458 HG23 VAL 68 3HG2 VAL 68 5.228 -0.064 -13.815 459 H PHE 69 H PHE 69 1.848 2.598 -16.284 460 HA PHE 69 HA PHE 69 2.502 5.132 -17.515 461 HB2 PHE 69 2HB PHE 69 -0.117 4.015 -16.494 462 HB3 PHE 69 3HB PHE 69 0.052 5.557 -17.327 463 HD1 PHE 69 HD1 PHE 69 0.074 5.667 -19.662 464 HD2 PHE 69 HD2 PHE 69 0.518 1.905 -17.721 465 HE1 PHE 69 HE1 PHE 69 -0.168 4.525 -21.828 466 HE2 PHE 69 HE2 PHE 69 0.278 0.757 -19.884 467 HZ PHE 69 HZ PHE 69 -0.065 2.067 -21.941 468 H ASN 70 H ASN 70 2.452 7.131 -16.562 469 HA ASN 70 HA ASN 70 2.773 7.167 -13.684 470 HB2 ASN 70 2HB ASN 70 4.256 8.443 -15.292 471 HB3 ASN 70 3HB ASN 70 2.892 9.520 -15.575 472 HD21 ASN 70 1HD2 ASN 70 2.067 10.727 -13.781 473 HD22 ASN 70 2HD2 ASN 70 3.110 11.144 -12.469 474 H SER 71 H SER 71 0.598 8.576 -16.099 475 HA SER 71 HA SER 71 -1.019 9.893 -14.119 476 HB2 SER 71 2HB SER 71 -2.161 9.442 -16.809 477 HB3 SER 71 3HB SER 71 -2.028 10.931 -15.873 478 HG SER 71 HG SER 71 -0.526 10.172 -17.890 479 H SER 72 H SER 72 -2.758 9.132 -13.090 480 HA SER 72 HA SER 72 -3.385 6.392 -13.101 481 HB2 SER 72 2HB SER 72 -5.465 7.203 -11.807 482 HB3 SER 72 3HB SER 72 -3.882 7.541 -11.108 483 HG SER 72 HG SER 72 -5.749 9.276 -12.222 484 H GLU 73 H GLU 73 -5.202 9.170 -14.392 485 HA GLU 73 HA GLU 73 -7.361 7.769 -15.443 486 HB2 GLU 73 2HB GLU 73 -6.870 10.340 -15.268 487 HB3 GLU 73 3HB GLU 73 -6.245 10.136 -16.898 488 HG2 GLU 73 2HG GLU 73 -8.290 10.224 -17.724 489 HG3 GLU 73 3HG GLU 73 -8.778 8.852 -16.731 490 H GLU 74 H GLU 74 -4.420 8.833 -17.161 491 HA GLU 74 HA GLU 74 -4.999 7.562 -19.588 492 HB2 GLU 74 2HB GLU 74 -3.002 9.206 -18.665 493 HB3 GLU 74 3HB GLU 74 -2.148 7.689 -18.909 494 HG2 GLU 74 2HG GLU 74 -1.955 8.964 -20.902 495 HG3 GLU 74 3HG GLU 74 -3.057 7.626 -21.224 496 H ALA 75 H ALA 75 -3.397 6.403 -16.680 497 HA ALA 75 HA ALA 75 -2.329 4.019 -17.679 498 HB1 ALA 75 1HB ALA 75 -2.399 3.237 -15.326 499 HB2 ALA 75 2HB ALA 75 -1.686 4.840 -15.514 500 HB3 ALA 75 3HB ALA 75 -3.336 4.673 -14.914 501 H GLU 76 H GLU 76 -5.476 4.615 -16.119 502 HA GLU 76 HA GLU 76 -6.410 1.960 -16.373 503 HB2 GLU 76 2HB GLU 76 -7.721 4.606 -15.855 504 HB3 GLU 76 3HB GLU 76 -8.709 3.183 -16.153 505 HG2 GLU 76 2HG GLU 76 -7.260 2.100 -14.298 506 HG3 GLU 76 3HG GLU 76 -6.877 3.767 -13.871 507 H ALA 77 H ALA 77 -6.758 4.829 -18.408 508 HA ALA 77 HA ALA 77 -8.613 3.868 -20.243 509 HB1 ALA 77 1HB ALA 77 -6.485 5.937 -20.313 510 HB2 ALA 77 2HB ALA 77 -7.207 5.440 -21.844 511 HB3 ALA 77 3HB ALA 77 -8.225 6.091 -20.559 512 H PHE 78 H PHE 78 -5.055 3.756 -20.456 513 HA PHE 78 HA PHE 78 -4.981 2.256 -22.845 514 HB2 PHE 78 2HB PHE 78 -3.004 2.925 -20.705 515 HB3 PHE 78 3HB PHE 78 -2.596 1.672 -21.873 516 HD1 PHE 78 HD1 PHE 78 -1.378 2.340 -23.688 517 HD2 PHE 78 HD2 PHE 78 -4.066 5.105 -21.886 518 HE1 PHE 78 HE1 PHE 78 -0.675 4.066 -25.294 519 HE2 PHE 78 HE2 PHE 78 -3.368 6.835 -23.490 520 HZ PHE 78 HZ PHE 78 -1.670 6.317 -25.197 521 H GLN 79 H GLN 79 -4.947 1.332 -19.441 522 HA GLN 79 HA GLN 79 -4.329 -1.365 -19.692 523 HB2 GLN 79 2HB GLN 79 -5.501 0.361 -17.674 524 HB3 GLN 79 3HB GLN 79 -6.219 -1.244 -17.645 525 HG2 GLN 79 2HG GLN 79 -4.257 -2.266 -17.050 526 HG3 GLN 79 3HG GLN 79 -3.257 -0.996 -17.752 527 HE21 GLN 79 1HE2 GLN 79 -5.695 -1.411 -15.207 528 HE22 GLN 79 2HE2 GLN 79 -4.890 -0.426 -14.038 529 H LYS 80 H LYS 80 -7.518 0.205 -19.767 530 HA LYS 80 HA LYS 80 -9.059 -2.104 -20.089 531 HB2 LYS 80 2HB LYS 80 -9.955 0.150 -19.544 532 HB3 LYS 80 3HB LYS 80 -9.635 0.648 -21.200 533 HG2 LYS 80 2HG LYS 80 -11.158 -1.225 -21.930 534 HG3 LYS 80 3HG LYS 80 -11.615 -1.394 -20.234 535 HD2 LYS 80 2HD LYS 80 -13.194 0.127 -20.703 536 HD3 LYS 80 3HD LYS 80 -11.877 1.301 -20.640 537 HE2 LYS 80 2HE LYS 80 -11.583 1.183 -23.018 538 HE3 LYS 80 3HE LYS 80 -12.730 -0.150 -23.141 539 HZ1 LYS 80 1HZ LYS 80 -14.499 1.228 -22.925 540 HZ2 LYS 80 2HZ LYS 80 -13.423 2.334 -23.616 541 HZ3 LYS 80 3HZ LYS 80 -13.683 2.339 -21.944 542 H ALA 81 H ALA 81 -8.349 0.250 -22.673 543 HA ALA 81 HA ALA 81 -8.150 -2.015 -24.549 544 HB1 ALA 81 1HB ALA 81 -10.100 -0.015 -24.549 545 HB2 ALA 81 2HB ALA 81 -8.995 0.403 -25.859 546 HB3 ALA 81 3HB ALA 81 -9.764 -1.184 -25.827 547 HA PRO 82 HA PRO 82 -4.305 -0.425 -25.941 548 HB2 PRO 82 2HB PRO 82 -4.414 -0.890 -28.614 549 HB3 PRO 82 3HB PRO 82 -4.223 -2.181 -27.421 550 HG2 PRO 82 2HG PRO 82 -6.693 -1.266 -28.845 551 HG3 PRO 82 3HG PRO 82 -6.139 -2.918 -28.515 552 HD2 PRO 82 2HD PRO 82 -8.046 -1.697 -27.030 553 HD3 PRO 82 3HD PRO 82 -6.912 -2.878 -26.343 554 HA PRO 83 HA PRO 83 -4.561 3.689 -27.472 555 HB2 PRO 83 2HB PRO 83 -2.306 3.916 -28.966 556 HB3 PRO 83 3HB PRO 83 -2.285 3.840 -27.200 557 HG2 PRO 83 2HG PRO 83 -1.770 1.669 -29.196 558 HG3 PRO 83 3HG PRO 83 -0.895 2.044 -27.700 559 HD2 PRO 83 2HD PRO 83 -2.718 0.049 -27.859 560 HD3 PRO 83 3HD PRO 83 -2.453 0.983 -26.373 561 H MET 84 H MET 84 -3.988 1.184 -29.885 562 HA MET 84 HA MET 84 -4.694 0.929 -32.031 563 HB2 MET 84 2HB MET 84 -6.801 2.302 -30.659 564 HB3 MET 84 3HB MET 84 -6.705 2.905 -32.308 565 HG2 MET 84 2HG MET 84 -6.487 0.109 -32.467 566 HG3 MET 84 3HG MET 84 -7.795 0.452 -31.337 567 HE1 MET 84 1HE MET 84 -7.387 -0.750 -34.523 568 HE2 MET 84 2HE MET 84 -8.145 0.295 -35.725 569 HE3 MET 84 3HE MET 84 -6.559 0.707 -35.072 570 H TYR 85 H TYR 85 -2.890 1.664 -33.103 571 HA TYR 85 HA TYR 85 -2.981 4.470 -34.000 572 HB2 TYR 85 2HB TYR 85 -0.930 3.172 -32.607 573 HB3 TYR 85 3HB TYR 85 -0.367 3.251 -34.273 574 HD1 TYR 85 HD1 TYR 85 0.238 4.791 -31.427 575 HD2 TYR 85 HD2 TYR 85 -1.426 5.796 -35.212 576 HE1 TYR 85 HE1 TYR 85 0.895 7.137 -31.087 577 HE2 TYR 85 HE2 TYR 85 -0.773 8.144 -34.883 578 HH TYR 85 HH TYR 85 0.036 9.644 -33.437 579 H ASP 86 H ASP 86 -3.273 4.753 -36.103 580 HA ASP 86 HA ASP 86 -3.722 2.734 -37.933 581 HB2 ASP 86 2HB ASP 86 -3.743 5.535 -37.964 582 HB3 ASP 86 3HB ASP 86 -2.637 5.070 -39.253 583 H ASP 87 H ASP 87 -0.730 4.541 -37.343 584 HA ASP 87 HA ASP 87 0.845 3.548 -39.382 585 HB2 ASP 87 2HB ASP 87 1.572 4.302 -36.550 586 HB3 ASP 87 3HB ASP 87 2.774 3.902 -37.774 587 H VAL 88 H VAL 88 0.837 2.279 -36.045 588 HA VAL 88 HA VAL 88 1.284 -0.409 -37.158 589 HB VAL 88 HB VAL 88 2.656 0.656 -34.688 590 HG11 VAL 88 1HG1 VAL 88 2.579 -1.984 -36.068 591 HG12 VAL 88 2HG1 VAL 88 4.059 -1.487 -35.244 592 HG13 VAL 88 3HG1 VAL 88 2.546 -1.612 -34.345 593 HG21 VAL 88 1HG2 VAL 88 4.727 0.488 -36.088 594 HG22 VAL 88 2HG2 VAL 88 3.684 0.278 -37.495 595 HG23 VAL 88 3HG2 VAL 88 3.618 1.774 -36.564 596 H GLN 89 H GLN 89 -0.058 -1.911 -36.393 597 HA GLN 89 HA GLN 89 -2.167 -1.264 -34.643 598 HB2 GLN 89 2HB GLN 89 -1.651 -3.296 -36.415 599 HB3 GLN 89 3HB GLN 89 -1.544 -4.122 -34.866 600 HG2 GLN 89 2HG GLN 89 -3.789 -3.067 -34.322 601 HG3 GLN 89 3HG GLN 89 -3.881 -2.651 -36.033 602 HE21 GLN 89 1HE2 GLN 89 -4.856 -4.065 -37.283 603 HE22 GLN 89 2HE2 GLN 89 -5.058 -5.749 -36.957 604 H LEU 90 H LEU 90 -2.170 -1.093 -32.510 605 HA LEU 90 HA LEU 90 0.002 -2.336 -30.983 606 HB2 LEU 90 2HB LEU 90 -1.418 0.159 -30.823 607 HB3 LEU 90 3HB LEU 90 -1.544 -0.712 -29.296 608 HG LEU 90 HG LEU 90 0.318 0.849 -29.260 609 HD11 LEU 90 1HD1 LEU 90 1.882 -0.575 -28.309 610 HD12 LEU 90 2HD1 LEU 90 1.552 -1.870 -29.458 611 HD13 LEU 90 3HD1 LEU 90 0.384 -1.498 -28.191 612 HD21 LEU 90 1HD2 LEU 90 1.421 -0.750 -31.568 613 HD22 LEU 90 2HD2 LEU 90 2.238 0.569 -30.727 614 HD23 LEU 90 3HD2 LEU 90 0.779 0.890 -31.667 615 H THR 91 H THR 91 -0.349 -3.847 -29.447 616 HA THR 91 HA THR 91 -3.145 -4.580 -28.870 617 HB THR 91 HB THR 91 -1.164 -6.760 -28.728 618 HG1 THR 91 HG1 THR 91 -1.079 -7.020 -30.973 619 HG21 THR 91 1HG2 THR 91 -3.432 -7.315 -28.341 620 HG22 THR 91 2HG2 THR 91 -3.062 -7.917 -29.957 621 HG23 THR 91 3HG2 THR 91 -3.971 -6.419 -29.760 622 H ALA 92 H ALA 92 -3.413 -3.861 -26.835 623 HA ALA 92 HA ALA 92 -1.352 -4.538 -24.843 624 HB1 ALA 92 1HB ALA 92 -1.591 -2.510 -23.962 625 HB2 ALA 92 2HB ALA 92 -2.552 -2.095 -25.382 626 HB3 ALA 92 3HB ALA 92 -3.348 -2.663 -23.915 627 H GLU 93 H GLU 93 -1.907 -5.600 -22.971 628 HA GLU 93 HA GLU 93 -4.635 -6.710 -22.899 629 HB2 GLU 93 2HB GLU 93 -1.965 -7.892 -22.235 630 HB3 GLU 93 3HB GLU 93 -3.406 -8.505 -21.437 631 HG2 GLU 93 2HG GLU 93 -3.304 -8.285 -24.414 632 HG3 GLU 93 3HG GLU 93 -2.559 -9.652 -23.587 633 H MET 94 H MET 94 -5.334 -7.384 -20.656 634 HA MET 94 HA MET 94 -4.678 -5.213 -18.791 635 HB2 MET 94 2HB MET 94 -7.093 -5.793 -19.663 636 HB3 MET 94 3HB MET 94 -7.024 -7.029 -18.413 637 HG2 MET 94 2HG MET 94 -7.167 -5.536 -16.731 638 HG3 MET 94 3HG MET 94 -6.242 -4.310 -17.594 639 HE1 MET 94 1HE MET 94 -10.375 -3.730 -16.618 640 HE2 MET 94 2HE MET 94 -9.556 -5.238 -16.211 641 HE3 MET 94 3HE MET 94 -8.822 -3.692 -15.783 642 H LYS 95 H LYS 95 -4.463 -5.680 -16.532 643 HA LYS 95 HA LYS 95 -2.800 -7.888 -15.988 644 HB2 LYS 95 2HB LYS 95 -2.983 -7.182 -13.626 645 HB3 LYS 95 3HB LYS 95 -2.626 -5.838 -14.703 646 HG2 LYS 95 2HG LYS 95 -5.192 -5.474 -14.691 647 HG3 LYS 95 3HG LYS 95 -5.146 -6.460 -13.228 648 HD2 LYS 95 2HD LYS 95 -3.782 -4.911 -12.099 649 HD3 LYS 95 3HD LYS 95 -3.358 -4.072 -13.594 650 HE2 LYS 95 2HE LYS 95 -5.016 -2.647 -13.206 651 HE3 LYS 95 3HE LYS 95 -6.158 -3.975 -13.407 652 HZ1 LYS 95 1HZ LYS 95 -5.716 -2.518 -11.122 653 HZ2 LYS 95 2HZ LYS 95 -4.978 -4.010 -10.820 654 HZ3 LYS 95 3HZ LYS 95 -6.613 -3.947 -11.250 655 H THR 96 H THR 96 -6.227 -7.295 -15.382 656 HA THR 96 HA THR 96 -6.796 -9.481 -13.760 657 HB THR 96 HB THR 96 -8.811 -8.751 -15.823 658 HG1 THR 96 HG1 THR 96 -8.351 -6.694 -15.493 659 HG21 THR 96 1HG2 THR 96 -9.320 -10.246 -13.916 660 HG22 THR 96 2HG2 THR 96 -10.307 -8.784 -13.915 661 HG23 THR 96 3HG2 THR 96 -8.939 -8.927 -12.811 662 H THR 97 H THR 97 -6.812 -9.250 -17.304 663 HA THR 97 HA THR 97 -7.753 -11.772 -17.933 664 HB THR 97 HB THR 97 -5.524 -10.432 -19.463 665 HG1 THR 97 HG1 THR 97 -6.903 -8.802 -19.505 666 HG21 THR 97 1HG2 THR 97 -6.611 -12.792 -19.978 667 HG22 THR 97 2HG2 THR 97 -6.198 -11.668 -21.272 668 HG23 THR 97 3HG2 THR 97 -7.864 -11.789 -20.707 669 H TYR 98 H TYR 98 -4.315 -10.829 -17.712 670 HA TYR 98 HA TYR 98 -3.213 -13.351 -18.006 671 HB2 TYR 98 2HB TYR 98 -2.315 -10.782 -16.845 672 HB3 TYR 98 3HB TYR 98 -1.422 -12.208 -16.329 673 HD1 TYR 98 HD1 TYR 98 -0.670 -13.809 -18.290 674 HD2 TYR 98 HD2 TYR 98 -1.641 -9.694 -18.771 675 HE1 TYR 98 HE1 TYR 98 0.638 -13.749 -20.372 676 HE2 TYR 98 HE2 TYR 98 -0.336 -9.623 -20.854 677 HH TYR 98 HH TYR 98 0.392 -11.384 -22.631 678 H LEU 99 H LEU 99 -4.246 -11.714 -15.034 679 HA LEU 99 HA LEU 99 -3.394 -13.576 -13.168 680 HB2 LEU 99 2HB LEU 99 -4.425 -11.313 -12.752 681 HB3 LEU 99 3HB LEU 99 -5.995 -12.070 -13.010 682 HG LEU 99 HG LEU 99 -4.945 -13.680 -11.088 683 HD11 LEU 99 1HD1 LEU 99 -3.594 -11.057 -10.930 684 HD12 LEU 99 2HD1 LEU 99 -3.065 -12.645 -10.376 685 HD13 LEU 99 3HD1 LEU 99 -4.223 -11.719 -9.422 686 HD21 LEU 99 1HD2 LEU 99 -6.414 -11.127 -10.472 687 HD22 LEU 99 2HD2 LEU 99 -6.502 -12.669 -9.620 688 HD23 LEU 99 3HD2 LEU 99 -7.181 -12.517 -11.242 689 H GLU 100 H GLU 100 -6.438 -13.485 -14.990 690 HA GLU 100 HA GLU 100 -7.563 -15.787 -13.789 691 HB2 GLU 100 2HB GLU 100 -8.691 -13.930 -15.211 692 HB3 GLU 100 3HB GLU 100 -8.207 -14.910 -16.588 693 HG2 GLU 100 2HG GLU 100 -9.378 -16.803 -15.115 694 HG3 GLU 100 3HG GLU 100 -10.277 -15.400 -14.542 695 H ARG 101 H ARG 101 -5.555 -15.292 -16.643 696 HA ARG 101 HA ARG 101 -5.761 -17.841 -17.767 697 HB2 ARG 101 2HB ARG 101 -3.490 -15.851 -17.795 698 HB3 ARG 101 3HB ARG 101 -3.499 -17.323 -18.757 699 HG2 ARG 101 2HG ARG 101 -5.503 -15.082 -18.940 700 HG3 ARG 101 3HG ARG 101 -4.187 -15.400 -20.073 701 HD2 ARG 101 2HD ARG 101 -5.224 -17.692 -20.404 702 HD3 ARG 101 3HD ARG 101 -6.627 -17.074 -19.534 703 HE ARG 101 HE ARG 101 -5.843 -15.401 -21.723 704 HH11 ARG 101 1HH1 ARG 101 -7.637 -18.247 -20.829 705 HH12 ARG 101 2HH1 ARG 101 -8.703 -18.162 -22.193 706 HH21 ARG 101 1HH2 ARG 101 -7.240 -15.278 -23.522 707 HH22 ARG 101 2HH2 ARG 101 -8.475 -16.474 -23.724 708 H LYS 102 H LYS 102 -3.213 -16.582 -15.609 709 HA LYS 102 HA LYS 102 -1.888 -19.037 -15.268 710 HB2 LYS 102 2HB LYS 102 -0.838 -17.963 -13.300 711 HB3 LYS 102 3HB LYS 102 -0.796 -16.944 -14.732 712 HG2 LYS 102 2HG LYS 102 -2.765 -15.720 -13.864 713 HG3 LYS 102 3HG LYS 102 -2.669 -16.686 -12.390 714 HD2 LYS 102 2HD LYS 102 -0.476 -14.903 -13.450 715 HD3 LYS 102 3HD LYS 102 -1.591 -14.481 -12.148 716 HE2 LYS 102 2HE LYS 102 -0.470 -17.004 -11.526 717 HE3 LYS 102 3HE LYS 102 0.853 -15.946 -12.015 718 HZ1 LYS 102 1HZ LYS 102 -0.855 -15.814 -9.675 719 HZ2 LYS 102 2HZ LYS 102 -0.519 -14.327 -10.408 720 HZ3 LYS 102 3HZ LYS 102 0.748 -15.313 -9.876 721 H ALA 103 H ALA 103 -4.457 -17.476 -13.407 722 HA ALA 103 HA ALA 103 -4.560 -19.191 -11.226 723 HB1 ALA 103 1HB ALA 103 -6.471 -17.369 -12.554 724 HB2 ALA 103 2HB ALA 103 -7.153 -18.579 -11.467 725 HB3 ALA 103 3HB ALA 103 -5.947 -17.438 -10.871 726 H GLU 104 H GLU 104 -6.175 -19.474 -14.375 727 HA GLU 104 HA GLU 104 -7.515 -21.905 -13.732 728 HB2 GLU 104 2HB GLU 104 -8.234 -20.297 -15.514 729 HB3 GLU 104 3HB GLU 104 -6.858 -20.820 -16.474 730 HG2 GLU 104 2HG GLU 104 -7.734 -22.990 -16.736 731 HG3 GLU 104 3HG GLU 104 -8.947 -22.732 -15.483 732 H GLU 105 H GLU 105 -4.461 -21.103 -15.291 733 HA GLU 105 HA GLU 105 -3.797 -23.594 -16.337 734 HB2 GLU 105 2HB GLU 105 -2.476 -21.676 -16.899 735 HB3 GLU 105 3HB GLU 105 -2.050 -21.404 -15.215 736 HG2 GLU 105 2HG GLU 105 -0.535 -23.138 -15.176 737 HG3 GLU 105 3HG GLU 105 -1.289 -23.967 -16.536 738 H ILE 106 H ILE 106 -2.719 -22.237 -13.217 739 HA ILE 106 HA ILE 106 -1.519 -24.558 -12.244 740 HB ILE 106 HB ILE 106 -1.148 -22.398 -11.193 741 HG12 ILE 106 2HG1 ILE 106 -2.512 -24.093 -9.114 742 HG13 ILE 106 3HG1 ILE 106 -1.041 -24.642 -9.911 743 HG21 ILE 106 1HG2 ILE 106 -2.808 -21.263 -9.894 744 HG22 ILE 106 2HG2 ILE 106 -3.480 -21.575 -11.494 745 HG23 ILE 106 3HG2 ILE 106 -3.960 -22.579 -10.126 746 HD11 ILE 106 1HD1 ILE 106 -0.376 -22.109 -9.125 747 HD12 ILE 106 2HD1 ILE 106 -1.407 -22.668 -7.808 748 HD13 ILE 106 3HD1 ILE 106 0.022 -23.595 -8.264 749 H ALA 107 H ALA 107 -4.867 -23.501 -12.150 750 HA ALA 107 HA ALA 107 -5.823 -25.384 -10.284 751 HB1 ALA 107 1HB ALA 107 -6.957 -23.450 -12.127 752 HB2 ALA 107 2HB ALA 107 -7.943 -24.907 -11.990 753 HB3 ALA 107 3HB ALA 107 -7.534 -23.981 -10.546 754 H ALA 108 H ALA 108 -5.631 -25.469 -13.829 755 HA ALA 108 HA ALA 108 -6.875 -27.966 -14.180 756 HB1 ALA 108 1HB ALA 108 -6.601 -27.486 -16.332 757 HB2 ALA 108 2HB ALA 108 -5.768 -26.014 -15.832 758 HB3 ALA 108 3HB ALA 108 -4.845 -27.478 -16.169 759 H LYS 109 H LYS 109 -3.485 -27.074 -13.697 760 HA LYS 109 HA LYS 109 -2.430 -29.678 -14.064 761 HB2 LYS 109 2HB LYS 109 -1.394 -27.173 -12.765 762 HB3 LYS 109 3HB LYS 109 -0.476 -28.672 -12.696 763 HG2 LYS 109 2HG LYS 109 -1.207 -28.344 -15.380 764 HG3 LYS 109 3HG LYS 109 -0.678 -26.756 -14.817 765 HD2 LYS 109 2HD LYS 109 1.255 -27.860 -15.635 766 HD3 LYS 109 3HD LYS 109 1.362 -27.904 -13.873 767 HE2 LYS 109 2HE LYS 109 0.006 -30.213 -14.429 768 HE3 LYS 109 3HE LYS 109 1.101 -30.089 -15.805 769 HZ1 LYS 109 1HZ LYS 109 2.597 -31.004 -14.455 770 HZ2 LYS 109 2HZ LYS 109 1.676 -30.715 -13.066 771 HZ3 LYS 109 3HZ LYS 109 2.684 -29.503 -13.680 772 H LYS 110 H LYS 110 -3.027 -27.801 -11.090 773 HA LYS 110 HA LYS 110 -2.672 -30.175 -9.464 774 HB2 LYS 110 2HB LYS 110 -2.531 -27.348 -9.050 775 HB3 LYS 110 3HB LYS 110 -3.702 -28.021 -7.924 776 HG2 LYS 110 2HG LYS 110 -2.121 -29.357 -6.878 777 HG3 LYS 110 3HG LYS 110 -1.003 -29.271 -8.241 778 HD2 LYS 110 2HD LYS 110 -1.689 -26.712 -6.924 779 HD3 LYS 110 3HD LYS 110 -0.694 -27.837 -5.996 780 HE2 LYS 110 2HE LYS 110 0.189 -27.599 -8.751 781 HE3 LYS 110 3HE LYS 110 0.186 -26.045 -7.918 782 HZ1 LYS 110 1HZ LYS 110 1.695 -26.796 -6.346 783 HZ2 LYS 110 2HZ LYS 110 2.272 -27.490 -7.776 784 HZ3 LYS 110 3HZ LYS 110 1.400 -28.429 -6.672 Start of MODEL 7 1 H1 THR 12 H THR 12 -1.372 1.711 -0.438 2 HA THR 12 HA THR 12 1.100 2.407 -1.782 3 HB THR 12 HB THR 12 1.847 0.050 -1.987 4 HG1 THR 12 HG1 THR 12 0.916 -1.358 -0.255 5 HG21 THR 12 1HG2 THR 12 3.158 1.055 -0.412 6 HG22 THR 12 2HG2 THR 12 2.375 -0.144 0.617 7 HG23 THR 12 3HG2 THR 12 1.786 1.517 0.593 8 H ASP 13 H ASP 13 1.008 2.093 -3.963 9 HA ASP 13 HA ASP 13 -1.264 0.587 -5.049 10 HB2 ASP 13 2HB ASP 13 -1.960 2.329 -6.471 11 HB3 ASP 13 3HB ASP 13 -1.691 3.115 -4.918 12 H HIS 14 H HIS 14 -0.846 -0.528 -6.894 13 HA HIS 14 HA HIS 14 1.765 -0.108 -8.182 14 HB2 HIS 14 2HB HIS 14 1.845 -2.634 -8.472 15 HB3 HIS 14 3HB HIS 14 2.125 -2.031 -6.841 16 HD1 HIS 14 HD1 HIS 14 0.116 -2.326 -5.132 17 HD2 HIS 14 HD2 HIS 14 -0.296 -4.335 -8.745 18 HE1 HIS 14 HE1 HIS 14 -1.714 -4.010 -4.760 19 H GLN 15 H GLN 15 1.690 0.032 -10.335 20 HA GLN 15 HA GLN 15 -0.666 -1.033 -11.733 21 HB2 GLN 15 2HB GLN 15 -0.554 0.994 -13.222 22 HB3 GLN 15 3HB GLN 15 -1.093 1.305 -11.578 23 HG2 GLN 15 2HG GLN 15 1.787 1.575 -11.917 24 HG3 GLN 15 3HG GLN 15 0.852 2.684 -12.918 25 HE21 GLN 15 1HE2 GLN 15 2.561 2.989 -10.449 26 HE22 GLN 15 2HE2 GLN 15 1.573 3.897 -9.360 27 H THR 16 H THR 16 -0.157 -2.322 -13.371 28 HA THR 16 HA THR 16 2.288 -1.860 -14.895 29 HB THR 16 HB THR 16 1.763 -4.672 -14.018 30 HG1 THR 16 HG1 THR 16 1.998 -3.845 -12.029 31 HG21 THR 16 1HG2 THR 16 3.723 -3.295 -15.553 32 HG22 THR 16 2HG2 THR 16 3.626 -5.018 -15.187 33 HG23 THR 16 3HG2 THR 16 4.506 -3.935 -14.109 34 H VAL 17 H VAL 17 1.797 -1.942 -16.979 35 HA VAL 17 HA VAL 17 -0.514 -3.562 -17.820 36 HB VAL 17 HB VAL 17 0.694 -1.202 -19.267 37 HG11 VAL 17 1HG1 VAL 17 -0.397 -2.670 -20.802 38 HG12 VAL 17 2HG1 VAL 17 -1.794 -2.835 -19.737 39 HG13 VAL 17 3HG1 VAL 17 -1.464 -1.293 -20.527 40 HG21 VAL 17 1HG2 VAL 17 -0.259 -0.123 -17.495 41 HG22 VAL 17 2HG2 VAL 17 -1.672 -0.266 -18.540 42 HG23 VAL 17 3HG2 VAL 17 -1.441 -1.400 -17.209 43 H TYR 18 H TYR 18 -0.369 -4.843 -19.670 44 HA TYR 18 HA TYR 18 2.384 -5.436 -20.530 45 HB2 TYR 18 2HB TYR 18 0.027 -7.308 -20.728 46 HB3 TYR 18 3HB TYR 18 1.735 -7.700 -20.888 47 HD1 TYR 18 HD1 TYR 18 3.136 -7.980 -18.936 48 HD2 TYR 18 HD2 TYR 18 -0.968 -6.934 -18.531 49 HE1 TYR 18 HE1 TYR 18 3.237 -8.536 -16.542 50 HE2 TYR 18 HE2 TYR 18 -0.878 -7.486 -16.136 51 HH TYR 18 HH TYR 18 2.144 -8.552 -14.607 52 H VAL 19 H VAL 19 2.910 -5.233 -22.616 53 HA VAL 19 HA VAL 19 0.744 -4.954 -24.591 54 HB VAL 19 HB VAL 19 3.261 -3.287 -24.584 55 HG11 VAL 19 1HG1 VAL 19 1.082 -3.727 -26.488 56 HG12 VAL 19 2HG1 VAL 19 1.431 -2.027 -26.167 57 HG13 VAL 19 3HG1 VAL 19 2.708 -3.097 -26.749 58 HG21 VAL 19 1HG2 VAL 19 1.852 -1.410 -23.931 59 HG22 VAL 19 2HG2 VAL 19 0.454 -2.480 -23.824 60 HG23 VAL 19 3HG2 VAL 19 1.804 -2.680 -22.708 61 H LYS 20 H LYS 20 1.189 -5.693 -26.672 62 HA LYS 20 HA LYS 20 2.739 -7.958 -26.944 63 HB2 LYS 20 2HB LYS 20 2.591 -7.454 -29.453 64 HB3 LYS 20 3HB LYS 20 1.079 -7.627 -28.571 65 HG2 LYS 20 2HG LYS 20 0.465 -5.516 -28.973 66 HG3 LYS 20 3HG LYS 20 2.085 -4.884 -28.673 67 HD2 LYS 20 2HD LYS 20 1.967 -6.457 -31.107 68 HD3 LYS 20 3HD LYS 20 0.824 -5.111 -31.134 69 HE2 LYS 20 2HE LYS 20 2.461 -3.553 -31.181 70 HE3 LYS 20 3HE LYS 20 3.524 -4.486 -30.129 71 HZ1 LYS 20 1HZ LYS 20 4.647 -4.643 -32.085 72 HZ2 LYS 20 2HZ LYS 20 3.255 -4.565 -33.042 73 HZ3 LYS 20 3HZ LYS 20 3.655 -6.004 -32.247 74 HA PRO 21 HA PRO 21 6.914 -6.724 -27.501 75 HB2 PRO 21 2HB PRO 21 7.781 -8.523 -29.340 76 HB3 PRO 21 3HB PRO 21 7.438 -8.955 -27.661 77 HG2 PRO 21 2HG PRO 21 5.733 -9.316 -30.095 78 HG3 PRO 21 3HG PRO 21 6.028 -10.443 -28.758 79 HD2 PRO 21 2HD PRO 21 3.780 -8.944 -28.931 80 HD3 PRO 21 3HD PRO 21 4.506 -9.400 -27.377 81 H VAL 22 H VAL 22 8.546 -6.077 -29.165 82 HA VAL 22 HA VAL 22 7.203 -4.710 -31.400 83 HB VAL 22 HB VAL 22 9.297 -3.261 -31.398 84 HG11 VAL 22 1HG1 VAL 22 6.941 -2.870 -30.271 85 HG12 VAL 22 2HG1 VAL 22 7.905 -2.917 -28.793 86 HG13 VAL 22 3HG1 VAL 22 8.269 -1.732 -30.048 87 HG21 VAL 22 1HG2 VAL 22 10.617 -3.183 -29.383 88 HG22 VAL 22 2HG2 VAL 22 9.640 -4.454 -28.649 89 HG23 VAL 22 3HG2 VAL 22 10.662 -4.819 -30.039 90 HA PRO 23 HA PRO 23 9.474 -6.990 -34.386 91 HB2 PRO 23 2HB PRO 23 9.859 -5.115 -36.311 92 HB3 PRO 23 3HB PRO 23 8.285 -5.851 -35.989 93 HG2 PRO 23 2HG PRO 23 9.357 -3.204 -35.092 94 HG3 PRO 23 3HG PRO 23 7.746 -3.606 -35.714 95 HD2 PRO 23 2HD PRO 23 8.254 -3.305 -33.071 96 HD3 PRO 23 3HD PRO 23 7.032 -4.436 -33.685 97 HA PRO 24 HA PRO 24 13.815 -6.375 -34.065 98 HB2 PRO 24 2HB PRO 24 14.713 -7.131 -36.513 99 HB3 PRO 24 3HB PRO 24 14.092 -8.279 -35.321 100 HG2 PRO 24 2HG PRO 24 12.712 -7.074 -37.689 101 HG3 PRO 24 3HG PRO 24 12.683 -8.750 -37.110 102 HD2 PRO 24 2HD PRO 24 10.672 -7.004 -36.619 103 HD3 PRO 24 3HD PRO 24 11.117 -8.294 -35.482 104 H THR 25 H THR 25 12.076 -4.696 -36.542 105 HA THR 25 HA THR 25 14.313 -3.026 -37.311 106 HB THR 25 HB THR 25 11.435 -2.493 -38.014 107 HG1 THR 25 HG1 THR 25 12.181 -3.818 -39.975 108 HG21 THR 25 1HG2 THR 25 13.141 -0.803 -38.597 109 HG22 THR 25 2HG2 THR 25 12.398 -1.526 -40.023 110 HG23 THR 25 3HG2 THR 25 14.012 -2.027 -39.520 111 H ALA 26 H ALA 26 11.383 -2.754 -35.362 112 HA ALA 26 HA ALA 26 11.414 -0.012 -34.872 113 HB1 ALA 26 1HB ALA 26 10.277 -0.714 -32.667 114 HB2 ALA 26 2HB ALA 26 9.484 -1.113 -34.191 115 HB3 ALA 26 3HB ALA 26 10.381 -2.351 -33.313 116 H THR 27 H THR 27 13.047 1.150 -34.108 117 HA THR 27 HA THR 27 15.012 -0.039 -32.328 118 HB THR 27 HB THR 27 16.086 2.275 -32.516 119 HG1 THR 27 HG1 THR 27 15.311 3.557 -34.222 120 HG21 THR 27 1HG2 THR 27 17.249 1.615 -34.383 121 HG22 THR 27 2HG2 THR 27 15.796 1.096 -35.238 122 HG23 THR 27 3HG2 THR 27 16.468 0.094 -33.952 123 H LEU 28 H LEU 28 15.846 1.692 -30.609 124 HA LEU 28 HA LEU 28 13.754 1.898 -28.682 125 HB2 LEU 28 2HB LEU 28 16.221 1.471 -28.253 126 HB3 LEU 28 3HB LEU 28 16.460 3.198 -28.512 127 HG LEU 28 HG LEU 28 14.421 2.487 -26.506 128 HD11 LEU 28 1HD1 LEU 28 16.252 2.142 -24.794 129 HD12 LEU 28 2HD1 LEU 28 17.329 1.818 -26.152 130 HD13 LEU 28 3HD1 LEU 28 15.926 0.787 -25.875 131 HD21 LEU 28 1HD2 LEU 28 15.809 4.738 -27.266 132 HD22 LEU 28 2HD2 LEU 28 16.618 4.251 -25.776 133 HD23 LEU 28 3HD2 LEU 28 14.879 4.546 -25.780 134 H GLU 29 H GLU 29 15.607 4.263 -30.572 135 HA GLU 29 HA GLU 29 14.460 6.576 -29.483 136 HB2 GLU 29 2HB GLU 29 16.500 6.483 -30.936 137 HB3 GLU 29 3HB GLU 29 15.444 6.224 -32.317 138 HG2 GLU 29 2HG GLU 29 14.844 8.378 -32.430 139 HG3 GLU 29 3HG GLU 29 14.764 8.555 -30.678 140 H GLN 30 H GLN 30 13.440 4.499 -32.143 141 HA GLN 30 HA GLN 30 11.338 6.155 -33.064 142 HB2 GLN 30 2HB GLN 30 12.490 4.085 -34.172 143 HB3 GLN 30 3HB GLN 30 11.254 3.171 -33.318 144 HG2 GLN 30 2HG GLN 30 9.534 4.583 -34.426 145 HG3 GLN 30 3HG GLN 30 10.823 5.326 -35.371 146 HE21 GLN 30 1HE2 GLN 30 9.248 2.264 -34.642 147 HE22 GLN 30 2HE2 GLN 30 9.606 1.510 -36.154 148 H LEU 31 H LEU 31 11.466 3.494 -30.739 149 HA LEU 31 HA LEU 31 8.693 3.315 -30.270 150 HB2 LEU 31 2HB LEU 31 11.098 2.167 -29.225 151 HB3 LEU 31 3HB LEU 31 10.049 2.645 -27.891 152 HG LEU 31 HG LEU 31 9.082 0.927 -30.163 153 HD11 LEU 31 1HD1 LEU 31 10.901 0.238 -28.015 154 HD12 LEU 31 2HD1 LEU 31 10.408 -0.699 -29.425 155 HD13 LEU 31 3HD1 LEU 31 9.417 -0.715 -27.966 156 HD21 LEU 31 1HD2 LEU 31 7.188 1.568 -29.090 157 HD22 LEU 31 2HD2 LEU 31 8.021 1.877 -27.566 158 HD23 LEU 31 3HD2 LEU 31 7.634 0.222 -28.041 159 H THR 32 H THR 32 11.254 5.013 -28.474 160 HA THR 32 HA THR 32 9.602 6.150 -26.517 161 HB THR 32 HB THR 32 12.162 7.314 -27.629 162 HG1 THR 32 HG1 THR 32 12.981 5.555 -26.780 163 HG21 THR 32 1HG2 THR 32 10.540 7.832 -25.161 164 HG22 THR 32 2HG2 THR 32 11.245 8.986 -26.293 165 HG23 THR 32 3HG2 THR 32 12.281 8.111 -25.166 166 H GLU 33 H GLU 33 10.596 7.344 -29.698 167 HA GLU 33 HA GLU 33 9.510 9.917 -29.509 168 HB2 GLU 33 2HB GLU 33 11.060 9.108 -31.298 169 HB3 GLU 33 3HB GLU 33 9.714 8.227 -32.005 170 HG2 GLU 33 2HG GLU 33 8.924 10.042 -33.010 171 HG3 GLU 33 3HG GLU 33 9.071 11.013 -31.547 172 H PHE 34 H PHE 34 8.095 6.982 -30.955 173 HA PHE 34 HA PHE 34 5.618 8.067 -31.625 174 HB2 PHE 34 2HB PHE 34 6.774 5.404 -31.375 175 HB3 PHE 34 3HB PHE 34 5.065 5.431 -30.951 176 HD1 PHE 34 HD1 PHE 34 3.586 6.859 -32.661 177 HD2 PHE 34 HD2 PHE 34 7.305 4.994 -33.562 178 HE1 PHE 34 HE1 PHE 34 2.993 6.836 -35.049 179 HE2 PHE 34 HE2 PHE 34 6.718 4.969 -35.951 180 HZ PHE 34 HZ PHE 34 4.560 5.891 -36.697 181 H PHE 35 H PHE 35 6.673 6.492 -28.631 182 HA PHE 35 HA PHE 35 4.223 6.456 -27.301 183 HB2 PHE 35 2HB PHE 35 7.044 6.191 -26.574 184 HB3 PHE 35 3HB PHE 35 6.065 6.890 -25.288 185 HD1 PHE 35 HD1 PHE 35 3.644 5.591 -25.147 186 HD2 PHE 35 HD2 PHE 35 7.366 3.940 -26.387 187 HE1 PHE 35 HE1 PHE 35 2.850 3.345 -24.530 188 HE2 PHE 35 HE2 PHE 35 6.577 1.691 -25.773 189 HZ PHE 35 HZ PHE 35 4.317 1.392 -24.844 190 H SER 36 H SER 36 6.833 8.868 -26.982 191 HA SER 36 HA SER 36 5.438 10.653 -25.354 192 HB2 SER 36 2HB SER 36 7.444 11.574 -27.401 193 HB3 SER 36 3HB SER 36 7.164 12.195 -25.774 194 HG SER 36 HG SER 36 8.586 10.824 -25.090 195 H LYS 37 H LYS 37 5.532 10.332 -28.858 196 HA LYS 37 HA LYS 37 4.209 12.719 -29.519 197 HB2 LYS 37 2HB LYS 37 5.430 11.029 -31.045 198 HB3 LYS 37 3HB LYS 37 3.895 10.171 -31.087 199 HG2 LYS 37 2HG LYS 37 3.143 12.736 -31.668 200 HG3 LYS 37 3HG LYS 37 4.720 12.612 -32.452 201 HD2 LYS 37 2HD LYS 37 2.808 10.364 -32.806 202 HD3 LYS 37 3HD LYS 37 2.480 11.870 -33.667 203 HE2 LYS 37 2HE LYS 37 5.243 10.795 -33.781 204 HE3 LYS 37 3HE LYS 37 3.999 9.935 -34.688 205 HZ1 LYS 37 1HZ LYS 37 5.083 11.619 -36.039 206 HZ2 LYS 37 2HZ LYS 37 4.632 12.826 -34.943 207 HZ3 LYS 37 3HZ LYS 37 3.448 11.995 -35.820 208 H HIS 38 H HIS 38 3.011 9.567 -28.543 209 HA HIS 38 HA HIS 38 0.365 10.735 -28.157 210 HB2 HIS 38 2HB HIS 38 0.763 9.327 -30.422 211 HB3 HIS 38 3HB HIS 38 0.352 8.011 -29.326 212 HD1 HIS 38 HD1 HIS 38 -1.106 11.441 -30.136 213 HD2 HIS 38 HD2 HIS 38 -2.301 7.547 -29.318 214 HE1 HIS 38 HE1 HIS 38 -3.615 11.458 -30.305 215 H GLY 39 H GLY 39 0.035 10.448 -26.050 216 HA2 GLY 39 2HA GLY 39 -0.623 9.028 -24.259 217 HA3 GLY 39 3HA GLY 39 0.356 7.745 -24.954 218 H THR 40 H THR 40 0.229 9.058 -22.230 219 HA THR 40 HA THR 40 3.047 9.889 -22.031 220 HB THR 40 HB THR 40 0.893 10.363 -19.969 221 HG1 THR 40 HG1 THR 40 0.369 11.512 -21.858 222 HG21 THR 40 1HG2 THR 40 3.606 10.496 -19.709 223 HG22 THR 40 2HG2 THR 40 2.457 11.423 -18.744 224 HG23 THR 40 3HG2 THR 40 3.210 12.154 -20.161 225 H VAL 41 H VAL 41 4.342 8.304 -21.388 226 HA VAL 41 HA VAL 41 3.328 6.379 -19.397 227 HB VAL 41 HB VAL 41 4.919 4.747 -20.272 228 HG11 VAL 41 1HG1 VAL 41 3.547 4.056 -21.931 229 HG12 VAL 41 2HG1 VAL 41 2.553 5.400 -21.364 230 HG13 VAL 41 3HG1 VAL 41 3.600 5.607 -22.769 231 HG21 VAL 41 1HG2 VAL 41 6.726 5.515 -21.326 232 HG22 VAL 41 2HG2 VAL 41 5.699 5.730 -22.744 233 HG23 VAL 41 3HG2 VAL 41 5.969 7.077 -21.639 234 H GLN 42 H GLN 42 4.692 5.756 -17.706 235 HA GLN 42 HA GLN 42 6.579 7.780 -16.896 236 HB2 GLN 42 2HB GLN 42 4.873 6.387 -15.451 237 HB3 GLN 42 3HB GLN 42 6.194 5.229 -15.386 238 HG2 GLN 42 2HG GLN 42 7.244 7.800 -14.809 239 HG3 GLN 42 3HG GLN 42 5.801 7.556 -13.827 240 HE21 GLN 42 1HE2 GLN 42 6.271 6.800 -11.904 241 HE22 GLN 42 2HE2 GLN 42 7.515 5.662 -11.525 242 H ALA 43 H ALA 43 6.770 4.238 -17.286 243 HA ALA 43 HA ALA 43 9.396 4.469 -18.469 244 HB1 ALA 43 1HB ALA 43 10.153 4.526 -16.244 245 HB2 ALA 43 2HB ALA 43 9.008 3.283 -15.736 246 HB3 ALA 43 3HB ALA 43 10.374 2.855 -16.766 247 H VAL 44 H VAL 44 10.241 2.343 -19.167 248 HA VAL 44 HA VAL 44 8.271 0.195 -19.296 249 HB VAL 44 HB VAL 44 7.759 1.507 -21.277 250 HG11 VAL 44 1HG1 VAL 44 10.573 1.043 -22.231 251 HG12 VAL 44 2HG1 VAL 44 9.332 2.078 -22.942 252 HG13 VAL 44 3HG1 VAL 44 10.078 2.521 -21.406 253 HG21 VAL 44 1HG2 VAL 44 7.555 -0.897 -21.465 254 HG22 VAL 44 2HG2 VAL 44 8.127 -0.229 -22.993 255 HG23 VAL 44 3HG2 VAL 44 9.257 -1.035 -21.906 256 H TRP 45 H TRP 45 9.151 -1.830 -19.576 257 HA TRP 45 HA TRP 45 11.868 -2.228 -20.380 258 HB2 TRP 45 2HB TRP 45 11.338 -1.757 -17.597 259 HB3 TRP 45 3HB TRP 45 11.881 -3.418 -17.814 260 HD1 TRP 45 HD1 TRP 45 14.266 -3.575 -19.396 261 HE1 TRP 45 HE1 TRP 45 16.369 -2.112 -19.147 262 HE3 TRP 45 HE3 TRP 45 12.210 0.382 -16.896 263 HZ2 TRP 45 HZ2 TRP 45 17.064 0.388 -18.037 264 HZ3 TRP 45 HZ3 TRP 45 13.663 2.269 -16.276 265 HH2 TRP 45 HH2 TRP 45 16.040 2.270 -16.835 266 H ARG 46 H ARG 46 12.513 -4.595 -19.995 267 HA ARG 46 HA ARG 46 10.363 -6.472 -19.650 268 HB2 ARG 46 2HB ARG 46 10.511 -7.441 -21.911 269 HB3 ARG 46 3HB ARG 46 9.911 -5.788 -21.940 270 HG2 ARG 46 2HG ARG 46 12.824 -6.258 -22.319 271 HG3 ARG 46 3HG ARG 46 11.718 -6.606 -23.650 272 HD2 ARG 46 2HD ARG 46 11.054 -4.077 -22.483 273 HD3 ARG 46 3HD ARG 46 12.773 -4.112 -22.872 274 HE ARG 46 HE ARG 46 11.375 -5.112 -25.069 275 HH11 ARG 46 1HH1 ARG 46 11.740 -2.124 -23.321 276 HH12 ARG 46 2HH1 ARG 46 11.425 -1.126 -24.703 277 HH21 ARG 46 1HH2 ARG 46 10.958 -3.810 -26.894 278 HH22 ARG 46 2HH2 ARG 46 10.979 -2.087 -26.734 279 H ARG 47 H ARG 47 11.090 -8.538 -19.257 280 HA ARG 47 HA ARG 47 13.927 -9.119 -19.661 281 HB2 ARG 47 2HB ARG 47 14.277 -9.806 -17.383 282 HB3 ARG 47 3HB ARG 47 13.661 -8.159 -17.375 283 HG2 ARG 47 2HG ARG 47 11.369 -9.645 -17.194 284 HG3 ARG 47 3HG ARG 47 12.522 -10.591 -16.251 285 HD2 ARG 47 2HD ARG 47 12.443 -7.653 -15.819 286 HD3 ARG 47 3HD ARG 47 11.109 -8.615 -15.184 287 HE ARG 47 HE ARG 47 13.798 -8.521 -14.192 288 HH11 ARG 47 1HH1 ARG 47 10.920 -10.464 -14.437 289 HH12 ARG 47 2HH1 ARG 47 11.283 -11.411 -13.032 290 HH21 ARG 47 1HH2 ARG 47 14.287 -9.761 -12.341 291 HH22 ARG 47 2HH2 ARG 47 13.198 -11.010 -11.840 292 H TYR 48 H TYR 48 14.444 -11.404 -19.396 293 HA TYR 48 HA TYR 48 12.185 -13.244 -19.378 294 HB2 TYR 48 2HB TYR 48 12.955 -14.337 -21.475 295 HB3 TYR 48 3HB TYR 48 12.364 -12.699 -21.729 296 HD1 TYR 48 HD1 TYR 48 15.158 -14.943 -22.071 297 HD2 TYR 48 HD2 TYR 48 14.037 -10.839 -22.035 298 HE1 TYR 48 HE1 TYR 48 17.270 -14.363 -23.189 299 HE2 TYR 48 HE2 TYR 48 16.145 -10.247 -23.155 300 HH TYR 48 HH TYR 48 17.860 -11.226 -24.487 301 H PHE 49 H PHE 49 12.683 -14.902 -18.120 302 HA PHE 49 HA PHE 49 15.425 -15.362 -17.330 303 HB2 PHE 49 2HB PHE 49 12.783 -15.996 -16.290 304 HB3 PHE 49 3HB PHE 49 13.870 -17.379 -16.205 305 HD1 PHE 49 HD1 PHE 49 15.596 -17.478 -14.610 306 HD2 PHE 49 HD2 PHE 49 13.444 -13.852 -15.193 307 HE1 PHE 49 HE1 PHE 49 16.632 -16.541 -12.584 308 HE2 PHE 49 HE2 PHE 49 14.477 -12.910 -13.169 309 HZ PHE 49 HZ PHE 49 16.074 -14.254 -11.862 310 H ALA 50 H ALA 50 16.753 -16.730 -18.304 311 HA ALA 50 HA ALA 50 15.805 -18.510 -20.356 312 HB1 ALA 50 1HB ALA 50 17.870 -18.293 -21.140 313 HB2 ALA 50 2HB ALA 50 18.222 -17.223 -19.782 314 HB3 ALA 50 3HB ALA 50 18.558 -18.950 -19.654 315 H GLY 51 H GLY 51 16.804 -18.774 -17.023 316 HA2 GLY 51 2HA GLY 51 16.275 -20.551 -15.590 317 HA3 GLY 51 3HA GLY 51 15.900 -21.541 -16.993 318 H LYS 52 H LYS 52 18.038 -21.109 -14.512 319 HA LYS 52 HA LYS 52 20.040 -22.772 -15.868 320 HB2 LYS 52 2HB LYS 52 20.627 -20.361 -14.141 321 HB3 LYS 52 3HB LYS 52 21.837 -21.525 -14.665 322 HG2 LYS 52 2HG LYS 52 22.158 -20.103 -16.357 323 HG3 LYS 52 3HG LYS 52 20.704 -20.839 -17.035 324 HD2 LYS 52 2HD LYS 52 19.440 -19.006 -16.648 325 HD3 LYS 52 3HD LYS 52 20.247 -18.645 -15.120 326 HE2 LYS 52 2HE LYS 52 21.423 -17.057 -16.130 327 HE3 LYS 52 3HE LYS 52 22.139 -18.270 -17.190 328 HZ1 LYS 52 1HZ LYS 52 19.464 -17.231 -17.812 329 HZ2 LYS 52 2HZ LYS 52 20.655 -17.823 -18.856 330 HZ3 LYS 52 3HZ LYS 52 20.815 -16.281 -18.178 331 H LYS 53 H LYS 53 18.116 -23.876 -14.342 332 HA LYS 53 HA LYS 53 19.650 -24.894 -12.088 333 HB2 LYS 53 2HB LYS 53 17.764 -24.654 -10.524 334 HB3 LYS 53 3HB LYS 53 18.361 -23.094 -11.076 335 HG2 LYS 53 2HG LYS 53 16.297 -23.925 -12.840 336 HG3 LYS 53 3HG LYS 53 15.724 -24.115 -11.181 337 HD2 LYS 53 2HD LYS 53 15.842 -21.874 -10.739 338 HD3 LYS 53 3HD LYS 53 17.156 -21.606 -11.886 339 HE2 LYS 53 2HE LYS 53 15.719 -21.497 -13.700 340 HE3 LYS 53 3HE LYS 53 14.443 -22.388 -12.872 341 HZ1 LYS 53 1HZ LYS 53 13.934 -20.019 -13.114 342 HZ2 LYS 53 2HZ LYS 53 15.298 -19.626 -12.194 343 HZ3 LYS 53 3HZ LYS 53 14.020 -20.480 -11.488 344 H ASP 54 H ASP 54 18.166 -26.669 -10.960 345 HA ASP 54 HA ASP 54 17.252 -28.394 -13.148 346 HB2 ASP 54 2HB ASP 54 17.909 -29.163 -10.298 347 HB3 ASP 54 3HB ASP 54 17.621 -30.258 -11.647 348 H ALA 55 H ALA 55 15.633 -26.237 -11.966 349 HA ALA 55 HA ALA 55 13.426 -27.863 -10.881 350 HB1 ALA 55 1HB ALA 55 13.280 -26.435 -9.193 351 HB2 ALA 55 2HB ALA 55 14.635 -25.513 -9.844 352 HB3 ALA 55 3HB ALA 55 12.985 -25.117 -10.327 353 HA PRO 56 HA PRO 56 10.848 -26.698 -14.236 354 HB2 PRO 56 2HB PRO 56 8.449 -26.317 -13.024 355 HB3 PRO 56 3HB PRO 56 9.170 -27.915 -13.245 356 HG2 PRO 56 2HG PRO 56 9.154 -26.164 -10.818 357 HG3 PRO 56 3HG PRO 56 8.889 -27.913 -10.937 358 HD2 PRO 56 2HD PRO 56 11.254 -26.848 -10.160 359 HD3 PRO 56 3HD PRO 56 11.144 -28.373 -11.061 360 HA PRO 57 HA PRO 57 10.400 -22.346 -14.671 361 HB2 PRO 57 2HB PRO 57 8.156 -22.120 -16.181 362 HB3 PRO 57 3HB PRO 57 9.689 -22.720 -16.823 363 HG2 PRO 57 2HG PRO 57 7.290 -24.256 -15.903 364 HG3 PRO 57 3HG PRO 57 8.305 -24.518 -17.334 365 HD2 PRO 57 2HD PRO 57 8.565 -25.988 -15.075 366 HD3 PRO 57 3HD PRO 57 9.941 -25.606 -16.129 367 H GLU 58 H GLU 58 9.978 -21.438 -12.697 368 HA GLU 58 HA GLU 58 7.252 -21.522 -11.648 369 HB2 GLU 58 2HB GLU 58 9.378 -21.911 -10.241 370 HB3 GLU 58 3HB GLU 58 9.594 -20.169 -10.332 371 HG2 GLU 58 2HG GLU 58 8.397 -20.157 -8.446 372 HG3 GLU 58 3HG GLU 58 7.018 -20.310 -9.533 373 H SER 59 H SER 59 9.689 -19.208 -12.743 374 HA SER 59 HA SER 59 7.957 -16.942 -12.318 375 HB2 SER 59 2HB SER 59 10.404 -16.786 -14.032 376 HB3 SER 59 3HB SER 59 9.773 -15.618 -12.870 377 HG SER 59 HG SER 59 10.903 -16.541 -11.358 378 H ARG 60 H ARG 60 7.789 -15.352 -14.265 379 HA ARG 60 HA ARG 60 6.697 -16.888 -16.525 380 HB2 ARG 60 2HB ARG 60 5.975 -14.139 -15.498 381 HB3 ARG 60 3HB ARG 60 5.306 -14.862 -16.955 382 HG2 ARG 60 2HG ARG 60 5.081 -16.209 -14.286 383 HG3 ARG 60 3HG ARG 60 3.924 -14.987 -14.816 384 HD2 ARG 60 2HD ARG 60 3.039 -16.329 -16.435 385 HD3 ARG 60 3HD ARG 60 4.550 -17.200 -16.691 386 HE ARG 60 HE ARG 60 3.736 -17.929 -14.183 387 HH11 ARG 60 1HH1 ARG 60 2.350 -18.043 -17.375 388 HH12 ARG 60 2HH1 ARG 60 1.403 -19.458 -17.055 389 HH21 ARG 60 1HH2 ARG 60 2.494 -19.793 -13.750 390 HH22 ARG 60 2HH2 ARG 60 1.485 -20.452 -14.993 391 H THR 61 H THR 61 8.026 -16.915 -18.210 392 HA THR 61 HA THR 61 9.568 -14.480 -18.826 393 HB THR 61 HB THR 61 11.124 -16.211 -18.359 394 HG1 THR 61 HG1 THR 61 12.187 -16.300 -20.315 395 HG21 THR 61 1HG2 THR 61 9.098 -17.906 -19.565 396 HG22 THR 61 2HG2 THR 61 10.396 -18.324 -18.446 397 HG23 THR 61 3HG2 THR 61 10.711 -18.263 -20.179 398 H LYS 62 H LYS 62 8.492 -13.389 -20.351 399 HA LYS 62 HA LYS 62 7.818 -14.806 -22.826 400 HB2 LYS 62 2HB LYS 62 5.728 -13.293 -22.918 401 HB3 LYS 62 3HB LYS 62 5.679 -14.724 -21.897 402 HG2 LYS 62 2HG LYS 62 6.631 -12.314 -20.538 403 HG3 LYS 62 3HG LYS 62 4.966 -12.220 -21.119 404 HD2 LYS 62 2HD LYS 62 5.686 -14.737 -19.775 405 HD3 LYS 62 3HD LYS 62 5.701 -13.304 -18.744 406 HE2 LYS 62 2HE LYS 62 3.476 -13.231 -18.694 407 HE3 LYS 62 3HE LYS 62 3.374 -13.331 -20.451 408 HZ1 LYS 62 1HZ LYS 62 2.335 -15.190 -19.046 409 HZ2 LYS 62 2HZ LYS 62 3.921 -15.743 -18.847 410 HZ3 LYS 62 3HZ LYS 62 3.255 -15.625 -20.397 411 HA PRO 63 HA PRO 63 9.646 -11.379 -24.870 412 HB2 PRO 63 2HB PRO 63 8.144 -11.208 -27.125 413 HB3 PRO 63 3HB PRO 63 9.306 -12.509 -26.841 414 HG2 PRO 63 2HG PRO 63 6.335 -12.512 -26.480 415 HG3 PRO 63 3HG PRO 63 7.377 -13.759 -27.191 416 HD2 PRO 63 2HD PRO 63 6.435 -13.917 -24.657 417 HD3 PRO 63 3HD PRO 63 8.013 -14.578 -25.132 418 H SER 64 H SER 64 6.317 -11.278 -23.979 419 HA SER 64 HA SER 64 5.470 -8.819 -24.901 420 HB2 SER 64 2HB SER 64 4.777 -9.551 -22.094 421 HB3 SER 64 3HB SER 64 3.732 -9.003 -23.405 422 HG SER 64 HG SER 64 3.282 -11.026 -23.688 423 H VAL 65 H VAL 65 5.443 -6.720 -24.009 424 HA VAL 65 HA VAL 65 7.774 -6.148 -22.308 425 HB VAL 65 HB VAL 65 7.586 -3.821 -23.177 426 HG11 VAL 65 1HG1 VAL 65 8.778 -5.971 -24.307 427 HG12 VAL 65 2HG1 VAL 65 7.783 -5.402 -25.649 428 HG13 VAL 65 3HG1 VAL 65 8.953 -4.318 -24.894 429 HG21 VAL 65 1HG2 VAL 65 5.066 -4.465 -23.884 430 HG22 VAL 65 2HG2 VAL 65 5.969 -3.127 -24.594 431 HG23 VAL 65 3HG2 VAL 65 5.888 -4.678 -25.429 432 H PHE 66 H PHE 66 7.604 -4.793 -20.530 433 HA PHE 66 HA PHE 66 4.868 -4.443 -19.517 434 HB2 PHE 66 2HB PHE 66 7.420 -4.331 -17.908 435 HB3 PHE 66 3HB PHE 66 5.775 -4.497 -17.305 436 HD1 PHE 66 HD1 PHE 66 8.646 -6.224 -17.535 437 HD2 PHE 66 HD2 PHE 66 4.577 -6.609 -18.722 438 HE1 PHE 66 HE1 PHE 66 8.890 -8.672 -17.564 439 HE2 PHE 66 HE2 PHE 66 4.814 -9.057 -18.753 440 HZ PHE 66 HZ PHE 66 6.972 -10.092 -18.173 441 H VAL 67 H VAL 67 4.056 -2.472 -19.171 442 HA VAL 67 HA VAL 67 5.901 -0.175 -19.184 443 HB VAL 67 HB VAL 67 4.247 1.133 -20.436 444 HG11 VAL 67 1HG1 VAL 67 5.465 -1.326 -21.579 445 HG12 VAL 67 2HG1 VAL 67 4.369 -0.388 -22.595 446 HG13 VAL 67 3HG1 VAL 67 5.810 0.370 -21.917 447 HG21 VAL 67 1HG2 VAL 67 2.704 -1.427 -20.307 448 HG22 VAL 67 2HG2 VAL 67 2.163 0.221 -19.990 449 HG23 VAL 67 3HG2 VAL 67 2.459 -0.307 -21.647 450 H VAL 68 H VAL 68 5.432 1.487 -17.795 451 HA VAL 68 HA VAL 68 3.091 1.114 -16.041 452 HB VAL 68 HB VAL 68 5.804 2.170 -15.230 453 HG11 VAL 68 1HG1 VAL 68 3.165 2.258 -13.986 454 HG12 VAL 68 2HG1 VAL 68 4.413 1.572 -12.944 455 HG13 VAL 68 3HG1 VAL 68 4.621 3.186 -13.626 456 HG21 VAL 68 1HG2 VAL 68 5.784 -0.258 -15.644 457 HG22 VAL 68 2HG2 VAL 68 6.033 0.128 -13.941 458 HG23 VAL 68 3HG2 VAL 68 4.454 -0.428 -14.498 459 H PHE 69 H PHE 69 1.679 2.700 -16.314 460 HA PHE 69 HA PHE 69 2.462 5.224 -17.472 461 HB2 PHE 69 2HB PHE 69 -0.103 3.873 -16.807 462 HB3 PHE 69 3HB PHE 69 -0.116 5.632 -16.880 463 HD1 PHE 69 HD1 PHE 69 -0.634 6.599 -18.890 464 HD2 PHE 69 HD2 PHE 69 1.160 2.740 -18.864 465 HE1 PHE 69 HE1 PHE 69 -0.827 6.497 -21.341 466 HE2 PHE 69 HE2 PHE 69 0.971 2.632 -21.315 467 HZ PHE 69 HZ PHE 69 -0.023 4.512 -22.556 468 H ASN 70 H ASN 70 2.437 7.224 -16.500 469 HA ASN 70 HA ASN 70 2.816 7.226 -13.638 470 HB2 ASN 70 2HB ASN 70 4.247 8.557 -15.199 471 HB3 ASN 70 3HB ASN 70 2.850 9.569 -15.551 472 HD21 ASN 70 1HD2 ASN 70 2.988 11.429 -14.548 473 HD22 ASN 70 2HD2 ASN 70 3.571 11.685 -12.942 474 H SER 71 H SER 71 0.516 8.610 -15.948 475 HA SER 71 HA SER 71 -1.058 9.841 -13.869 476 HB2 SER 71 2HB SER 71 -1.901 9.428 -16.738 477 HB3 SER 71 3HB SER 71 -2.441 10.674 -15.613 478 HG SER 71 HG SER 71 0.129 10.411 -16.785 479 H SER 72 H SER 72 -2.766 9.010 -12.840 480 HA SER 72 HA SER 72 -3.343 6.262 -12.946 481 HB2 SER 72 2HB SER 72 -5.316 8.253 -11.869 482 HB3 SER 72 3HB SER 72 -4.894 6.658 -11.246 483 HG SER 72 HG SER 72 -3.906 8.114 -9.922 484 H GLU 73 H GLU 73 -5.201 9.058 -14.129 485 HA GLU 73 HA GLU 73 -7.373 7.668 -15.176 486 HB2 GLU 73 2HB GLU 73 -6.297 10.339 -15.341 487 HB3 GLU 73 3HB GLU 73 -6.903 9.831 -16.911 488 HG2 GLU 73 2HG GLU 73 -9.073 9.398 -16.011 489 HG3 GLU 73 3HG GLU 73 -8.497 9.667 -14.367 490 H GLU 74 H GLU 74 -4.546 8.887 -16.986 491 HA GLU 74 HA GLU 74 -5.138 7.648 -19.408 492 HB2 GLU 74 2HB GLU 74 -3.100 9.256 -18.431 493 HB3 GLU 74 3HB GLU 74 -2.276 7.765 -18.866 494 HG2 GLU 74 2HG GLU 74 -2.142 8.821 -20.857 495 HG3 GLU 74 3HG GLU 74 -3.718 8.061 -21.072 496 H ALA 75 H ALA 75 -3.453 6.427 -16.573 497 HA ALA 75 HA ALA 75 -2.365 4.094 -17.659 498 HB1 ALA 75 1HB ALA 75 -2.450 3.228 -15.312 499 HB2 ALA 75 2HB ALA 75 -1.682 4.807 -15.489 500 HB3 ALA 75 3HB ALA 75 -3.329 4.692 -14.869 501 H GLU 76 H GLU 76 -5.485 4.550 -15.994 502 HA GLU 76 HA GLU 76 -6.378 1.899 -16.354 503 HB2 GLU 76 2HB GLU 76 -8.102 4.361 -16.056 504 HB3 GLU 76 3HB GLU 76 -8.549 2.704 -15.678 505 HG2 GLU 76 2HG GLU 76 -6.293 3.128 -14.151 506 HG3 GLU 76 3HG GLU 76 -7.149 4.667 -14.071 507 H ALA 77 H ALA 77 -6.782 4.831 -18.276 508 HA ALA 77 HA ALA 77 -8.668 3.915 -20.110 509 HB1 ALA 77 1HB ALA 77 -8.135 5.760 -21.411 510 HB2 ALA 77 2HB ALA 77 -7.650 6.269 -19.793 511 HB3 ALA 77 3HB ALA 77 -6.434 5.722 -20.947 512 H PHE 78 H PHE 78 -5.117 3.767 -20.279 513 HA PHE 78 HA PHE 78 -5.045 2.407 -22.768 514 HB2 PHE 78 2HB PHE 78 -3.090 3.119 -20.655 515 HB3 PHE 78 3HB PHE 78 -2.658 1.768 -21.697 516 HD1 PHE 78 HD1 PHE 78 -1.694 2.161 -23.765 517 HD2 PHE 78 HD2 PHE 78 -3.795 5.305 -21.812 518 HE1 PHE 78 HE1 PHE 78 -0.934 3.738 -25.494 519 HE2 PHE 78 HE2 PHE 78 -3.040 6.887 -23.539 520 HZ PHE 78 HZ PHE 78 -1.608 6.104 -25.383 521 H GLN 79 H GLN 79 -5.041 1.343 -19.410 522 HA GLN 79 HA GLN 79 -4.398 -1.342 -19.784 523 HB2 GLN 79 2HB GLN 79 -5.025 0.213 -17.632 524 HB3 GLN 79 3HB GLN 79 -6.450 -0.812 -17.741 525 HG2 GLN 79 2HG GLN 79 -5.053 -2.797 -17.630 526 HG3 GLN 79 3HG GLN 79 -3.609 -1.788 -17.566 527 HE21 GLN 79 1HE2 GLN 79 -2.852 -1.287 -15.636 528 HE22 GLN 79 2HE2 GLN 79 -3.718 -1.405 -14.145 529 H LYS 80 H LYS 80 -7.557 0.267 -19.860 530 HA LYS 80 HA LYS 80 -9.142 -2.011 -20.205 531 HB2 LYS 80 2HB LYS 80 -10.027 0.231 -19.659 532 HB3 LYS 80 3HB LYS 80 -9.628 0.772 -21.285 533 HG2 LYS 80 2HG LYS 80 -11.202 -0.834 -22.219 534 HG3 LYS 80 3HG LYS 80 -11.590 -1.407 -20.596 535 HD2 LYS 80 2HD LYS 80 -13.185 0.143 -20.511 536 HD3 LYS 80 3HD LYS 80 -11.914 1.368 -20.499 537 HE2 LYS 80 2HE LYS 80 -11.978 0.961 -23.104 538 HE3 LYS 80 3HE LYS 80 -13.612 0.402 -22.747 539 HZ1 LYS 80 1HZ LYS 80 -13.550 2.690 -21.385 540 HZ2 LYS 80 2HZ LYS 80 -14.093 2.569 -22.982 541 HZ3 LYS 80 3HZ LYS 80 -12.514 3.084 -22.663 542 H ALA 81 H ALA 81 -8.361 0.335 -22.775 543 HA ALA 81 HA ALA 81 -8.165 -1.931 -24.650 544 HB1 ALA 81 1HB ALA 81 -10.055 -1.088 -25.531 545 HB2 ALA 81 2HB ALA 81 -9.822 0.493 -24.785 546 HB3 ALA 81 3HB ALA 81 -8.963 0.084 -26.270 547 HA PRO 82 HA PRO 82 -4.294 -0.370 -26.003 548 HB2 PRO 82 2HB PRO 82 -4.379 -0.833 -28.677 549 HB3 PRO 82 3HB PRO 82 -4.211 -2.125 -27.482 550 HG2 PRO 82 2HG PRO 82 -6.659 -1.192 -28.931 551 HG3 PRO 82 3HG PRO 82 -6.120 -2.848 -28.596 552 HD2 PRO 82 2HD PRO 82 -8.033 -1.613 -27.131 553 HD3 PRO 82 3HD PRO 82 -6.915 -2.802 -26.433 554 HA PRO 83 HA PRO 83 -4.504 3.746 -27.535 555 HB2 PRO 83 2HB PRO 83 -2.232 3.957 -29.006 556 HB3 PRO 83 3HB PRO 83 -2.230 3.881 -27.240 557 HG2 PRO 83 2HG PRO 83 -1.711 1.706 -29.230 558 HG3 PRO 83 3HG PRO 83 -0.848 2.075 -27.725 559 HD2 PRO 83 2HD PRO 83 -2.684 0.093 -27.904 560 HD3 PRO 83 3HD PRO 83 -2.428 1.025 -26.415 561 H MET 84 H MET 84 -3.943 1.231 -29.936 562 HA MET 84 HA MET 84 -4.628 0.981 -32.089 563 HB2 MET 84 2HB MET 84 -6.730 2.390 -30.741 564 HB3 MET 84 3HB MET 84 -6.611 2.979 -32.394 565 HG2 MET 84 2HG MET 84 -6.427 0.180 -32.531 566 HG3 MET 84 3HG MET 84 -7.740 0.547 -31.415 567 HE1 MET 84 1HE MET 84 -9.768 -0.371 -32.923 568 HE2 MET 84 2HE MET 84 -9.975 1.131 -32.022 569 HE3 MET 84 3HE MET 84 -10.583 1.002 -33.673 570 H TYR 85 H TYR 85 -2.801 1.693 -33.140 571 HA TYR 85 HA TYR 85 -2.844 4.499 -34.041 572 HB2 TYR 85 2HB TYR 85 -0.829 3.185 -32.626 573 HB3 TYR 85 3HB TYR 85 -0.250 3.219 -34.288 574 HD1 TYR 85 HD1 TYR 85 0.462 4.777 -31.516 575 HD2 TYR 85 HD2 TYR 85 -1.338 5.792 -35.235 576 HE1 TYR 85 HE1 TYR 85 1.171 7.113 -31.215 577 HE2 TYR 85 HE2 TYR 85 -0.634 8.130 -34.945 578 HH TYR 85 HH TYR 85 0.344 9.606 -33.606 579 H ASP 86 H ASP 86 -3.123 4.787 -36.145 580 HA ASP 86 HA ASP 86 -3.584 2.771 -37.978 581 HB2 ASP 86 2HB ASP 86 -3.595 5.569 -38.005 582 HB3 ASP 86 3HB ASP 86 -2.475 5.108 -39.284 583 H ASP 87 H ASP 87 -0.582 4.557 -37.374 584 HA ASP 87 HA ASP 87 0.989 3.541 -39.410 585 HB2 ASP 87 2HB ASP 87 1.503 4.676 -36.724 586 HB3 ASP 87 3HB ASP 87 2.816 3.735 -37.428 587 H VAL 88 H VAL 88 0.940 2.306 -36.061 588 HA VAL 88 HA VAL 88 1.426 -0.388 -37.143 589 HB VAL 88 HB VAL 88 2.731 0.757 -34.670 590 HG11 VAL 88 1HG1 VAL 88 2.351 -1.563 -34.334 591 HG12 VAL 88 2HG1 VAL 88 2.876 -1.953 -35.973 592 HG13 VAL 88 3HG1 VAL 88 4.047 -1.384 -34.783 593 HG21 VAL 88 1HG2 VAL 88 4.756 0.036 -36.327 594 HG22 VAL 88 2HG2 VAL 88 3.560 0.619 -37.485 595 HG23 VAL 88 3HG2 VAL 88 4.118 1.674 -36.187 596 H GLN 89 H GLN 89 0.103 -1.917 -36.385 597 HA GLN 89 HA GLN 89 -2.075 -1.262 -34.710 598 HB2 GLN 89 2HB GLN 89 -1.305 -3.432 -36.366 599 HB3 GLN 89 3HB GLN 89 -1.668 -4.094 -34.777 600 HG2 GLN 89 2HG GLN 89 -3.850 -2.904 -34.851 601 HG3 GLN 89 3HG GLN 89 -3.481 -2.434 -36.510 602 HE21 GLN 89 1HE2 GLN 89 -5.690 -3.699 -36.424 603 HE22 GLN 89 2HE2 GLN 89 -5.562 -5.365 -36.864 604 H LEU 90 H LEU 90 -2.102 -1.054 -32.581 605 HA LEU 90 HA LEU 90 0.003 -2.344 -30.997 606 HB2 LEU 90 2HB LEU 90 -1.392 0.186 -30.867 607 HB3 LEU 90 3HB LEU 90 -1.473 -0.672 -29.330 608 HG LEU 90 HG LEU 90 0.393 0.873 -29.346 609 HD11 LEU 90 1HD1 LEU 90 2.047 -0.578 -28.535 610 HD12 LEU 90 2HD1 LEU 90 1.548 -1.886 -29.608 611 HD13 LEU 90 3HD1 LEU 90 0.524 -1.421 -28.250 612 HD21 LEU 90 1HD2 LEU 90 1.254 -0.650 -31.799 613 HD22 LEU 90 2HD2 LEU 90 2.312 0.431 -30.892 614 HD23 LEU 90 3HD2 LEU 90 0.864 1.065 -31.677 615 H THR 91 H THR 91 -0.427 -3.866 -29.506 616 HA THR 91 HA THR 91 -3.252 -4.455 -28.909 617 HB THR 91 HB THR 91 -1.292 -6.700 -28.970 618 HG1 THR 91 HG1 THR 91 -1.264 -6.811 -31.124 619 HG21 THR 91 1HG2 THR 91 -3.341 -7.483 -28.298 620 HG22 THR 91 2HG2 THR 91 -3.497 -7.690 -30.042 621 HG23 THR 91 3HG2 THR 91 -4.229 -6.295 -29.250 622 H ALA 92 H ALA 92 -3.498 -3.883 -26.840 623 HA ALA 92 HA ALA 92 -1.406 -4.657 -24.916 624 HB1 ALA 92 1HB ALA 92 -1.619 -2.678 -23.915 625 HB2 ALA 92 2HB ALA 92 -2.536 -2.175 -25.337 626 HB3 ALA 92 3HB ALA 92 -3.380 -2.780 -23.912 627 H GLU 93 H GLU 93 -1.950 -5.764 -23.059 628 HA GLU 93 HA GLU 93 -4.670 -6.891 -23.019 629 HB2 GLU 93 2HB GLU 93 -1.986 -8.033 -22.387 630 HB3 GLU 93 3HB GLU 93 -3.380 -8.641 -21.505 631 HG2 GLU 93 2HG GLU 93 -3.415 -8.502 -24.489 632 HG3 GLU 93 3HG GLU 93 -2.626 -9.840 -23.657 633 H MET 94 H MET 94 -5.387 -7.596 -20.787 634 HA MET 94 HA MET 94 -4.816 -5.415 -18.905 635 HB2 MET 94 2HB MET 94 -7.192 -5.945 -19.775 636 HB3 MET 94 3HB MET 94 -7.128 -7.324 -18.685 637 HG2 MET 94 2HG MET 94 -7.113 -6.000 -16.795 638 HG3 MET 94 3HG MET 94 -6.521 -4.587 -17.666 639 HE1 MET 94 1HE MET 94 -9.120 -7.164 -17.436 640 HE2 MET 94 2HE MET 94 -10.551 -6.250 -16.960 641 HE3 MET 94 3HE MET 94 -10.264 -6.616 -18.661 642 H LYS 95 H LYS 95 -4.509 -5.854 -16.682 643 HA LYS 95 HA LYS 95 -2.845 -8.050 -16.125 644 HB2 LYS 95 2HB LYS 95 -3.022 -7.320 -13.763 645 HB3 LYS 95 3HB LYS 95 -2.657 -5.995 -14.861 646 HG2 LYS 95 2HG LYS 95 -5.183 -5.554 -14.852 647 HG3 LYS 95 3HG LYS 95 -5.216 -6.595 -13.428 648 HD2 LYS 95 2HD LYS 95 -3.397 -5.095 -12.477 649 HD3 LYS 95 3HD LYS 95 -3.771 -3.982 -13.795 650 HE2 LYS 95 2HE LYS 95 -6.248 -4.440 -12.853 651 HE3 LYS 95 3HE LYS 95 -5.319 -4.654 -11.371 652 HZ1 LYS 95 1HZ LYS 95 -6.108 -2.346 -11.785 653 HZ2 LYS 95 2HZ LYS 95 -5.076 -2.274 -13.123 654 HZ3 LYS 95 3HZ LYS 95 -4.434 -2.476 -11.571 655 H THR 96 H THR 96 -6.276 -7.489 -15.556 656 HA THR 96 HA THR 96 -6.809 -9.661 -13.883 657 HB THR 96 HB THR 96 -8.709 -8.605 -15.979 658 HG1 THR 96 HG1 THR 96 -8.423 -7.608 -13.334 659 HG21 THR 96 1HG2 THR 96 -8.974 -10.184 -13.460 660 HG22 THR 96 2HG2 THR 96 -9.796 -10.387 -15.007 661 HG23 THR 96 3HG2 THR 96 -10.272 -9.083 -13.919 662 H THR 97 H THR 97 -6.843 -9.441 -17.425 663 HA THR 97 HA THR 97 -7.792 -11.976 -18.025 664 HB THR 97 HB THR 97 -5.649 -10.524 -19.584 665 HG1 THR 97 HG1 THR 97 -8.401 -10.061 -19.281 666 HG21 THR 97 1HG2 THR 97 -7.178 -12.938 -20.022 667 HG22 THR 97 2HG2 THR 97 -5.832 -12.279 -20.952 668 HG23 THR 97 3HG2 THR 97 -7.481 -11.753 -21.292 669 H TYR 98 H TYR 98 -4.375 -10.969 -17.797 670 HA TYR 98 HA TYR 98 -3.230 -13.476 -18.146 671 HB2 TYR 98 2HB TYR 98 -2.367 -10.874 -17.109 672 HB3 TYR 98 3HB TYR 98 -1.497 -12.232 -16.405 673 HD1 TYR 98 HD1 TYR 98 -1.799 -10.073 -19.232 674 HD2 TYR 98 HD2 TYR 98 -0.421 -13.910 -18.015 675 HE1 TYR 98 HE1 TYR 98 -0.378 -10.192 -21.236 676 HE2 TYR 98 HE2 TYR 98 1.005 -14.039 -20.015 677 HH TYR 98 HH TYR 98 0.678 -11.958 -22.641 678 H LEU 99 H LEU 99 -4.197 -11.858 -15.136 679 HA LEU 99 HA LEU 99 -3.309 -13.729 -13.304 680 HB2 LEU 99 2HB LEU 99 -4.415 -11.448 -12.928 681 HB3 LEU 99 3HB LEU 99 -5.944 -12.321 -13.017 682 HG LEU 99 HG LEU 99 -4.247 -13.639 -11.140 683 HD11 LEU 99 1HD1 LEU 99 -4.659 -10.727 -10.503 684 HD12 LEU 99 2HD1 LEU 99 -3.127 -11.402 -11.055 685 HD13 LEU 99 3HD1 LEU 99 -3.829 -11.940 -9.529 686 HD21 LEU 99 1HD2 LEU 99 -6.732 -11.980 -10.727 687 HD22 LEU 99 2HD2 LEU 99 -6.095 -13.215 -9.641 688 HD23 LEU 99 3HD2 LEU 99 -6.714 -13.671 -11.229 689 H GLU 100 H GLU 100 -6.418 -13.631 -15.019 690 HA GLU 100 HA GLU 100 -7.494 -15.950 -13.824 691 HB2 GLU 100 2HB GLU 100 -8.586 -14.054 -15.310 692 HB3 GLU 100 3HB GLU 100 -8.243 -15.186 -16.611 693 HG2 GLU 100 2HG GLU 100 -9.494 -16.509 -14.374 694 HG3 GLU 100 3HG GLU 100 -10.467 -15.159 -14.953 695 H ARG 101 H ARG 101 -5.544 -15.435 -16.714 696 HA ARG 101 HA ARG 101 -5.761 -17.977 -17.849 697 HB2 ARG 101 2HB ARG 101 -4.172 -15.633 -18.241 698 HB3 ARG 101 3HB ARG 101 -3.112 -17.036 -18.262 699 HG2 ARG 101 2HG ARG 101 -3.677 -17.291 -20.390 700 HG3 ARG 101 3HG ARG 101 -5.269 -17.798 -19.822 701 HD2 ARG 101 2HD ARG 101 -5.711 -16.092 -21.363 702 HD3 ARG 101 3HD ARG 101 -5.854 -15.314 -19.787 703 HE ARG 101 HE ARG 101 -4.053 -14.002 -20.310 704 HH11 ARG 101 1HH1 ARG 101 -4.197 -16.682 -22.527 705 HH12 ARG 101 2HH1 ARG 101 -2.947 -16.066 -23.557 706 HH21 ARG 101 1HH2 ARG 101 -2.405 -13.181 -21.657 707 HH22 ARG 101 2HH2 ARG 101 -1.927 -14.076 -23.060 708 H LYS 102 H LYS 102 -3.154 -16.733 -15.752 709 HA LYS 102 HA LYS 102 -1.835 -19.190 -15.438 710 HB2 LYS 102 2HB LYS 102 -0.736 -18.128 -13.497 711 HB3 LYS 102 3HB LYS 102 -0.739 -17.089 -14.916 712 HG2 LYS 102 2HG LYS 102 -2.679 -15.879 -13.978 713 HG3 LYS 102 3HG LYS 102 -2.557 -16.874 -12.525 714 HD2 LYS 102 2HD LYS 102 -0.271 -15.212 -13.561 715 HD3 LYS 102 3HD LYS 102 -1.463 -14.591 -12.418 716 HE2 LYS 102 2HE LYS 102 -0.450 -17.159 -11.575 717 HE3 LYS 102 3HE LYS 102 0.866 -16.014 -11.830 718 HZ1 LYS 102 1HZ LYS 102 -0.729 -16.188 -9.615 719 HZ2 LYS 102 2HZ LYS 102 -1.319 -14.829 -10.431 720 HZ3 LYS 102 3HZ LYS 102 0.314 -14.913 -9.999 721 H ALA 103 H ALA 103 -4.413 -17.662 -13.577 722 HA ALA 103 HA ALA 103 -4.468 -19.356 -11.372 723 HB1 ALA 103 1HB ALA 103 -6.830 -18.054 -12.722 724 HB2 ALA 103 2HB ALA 103 -6.769 -18.650 -11.063 725 HB3 ALA 103 3HB ALA 103 -5.768 -17.281 -11.545 726 H GLU 104 H GLU 104 -6.128 -19.682 -14.497 727 HA GLU 104 HA GLU 104 -7.408 -22.134 -13.826 728 HB2 GLU 104 2HB GLU 104 -7.309 -20.337 -16.082 729 HB3 GLU 104 3HB GLU 104 -7.167 -22.004 -16.622 730 HG2 GLU 104 2HG GLU 104 -9.218 -22.566 -15.410 731 HG3 GLU 104 3HG GLU 104 -9.365 -20.886 -14.895 732 H GLU 105 H GLU 105 -4.405 -21.289 -15.467 733 HA GLU 105 HA GLU 105 -3.713 -23.781 -16.488 734 HB2 GLU 105 2HB GLU 105 -2.537 -21.589 -16.898 735 HB3 GLU 105 3HB GLU 105 -1.771 -21.782 -15.328 736 HG2 GLU 105 2HG GLU 105 -0.953 -24.038 -16.219 737 HG3 GLU 105 3HG GLU 105 -1.403 -23.419 -17.806 738 H ILE 106 H ILE 106 -2.544 -22.354 -13.432 739 HA ILE 106 HA ILE 106 -1.379 -24.738 -12.481 740 HB ILE 106 HB ILE 106 -0.767 -22.514 -11.622 741 HG12 ILE 106 2HG1 ILE 106 -0.778 -23.138 -9.176 742 HG13 ILE 106 3HG1 ILE 106 -1.799 -24.508 -9.599 743 HG21 ILE 106 1HG2 ILE 106 -2.193 -21.083 -10.636 744 HG22 ILE 106 2HG2 ILE 106 -3.427 -22.035 -11.459 745 HG23 ILE 106 3HG2 ILE 106 -3.041 -22.364 -9.770 746 HD11 ILE 106 1HD1 ILE 106 0.776 -24.161 -11.037 747 HD12 ILE 106 2HD1 ILE 106 0.797 -24.760 -9.378 748 HD13 ILE 106 3HD1 ILE 106 -0.100 -25.634 -10.620 749 H ALA 107 H ALA 107 -4.604 -23.403 -12.212 750 HA ALA 107 HA ALA 107 -5.637 -24.872 -10.107 751 HB1 ALA 107 1HB ALA 107 -7.127 -23.311 -10.849 752 HB2 ALA 107 2HB ALA 107 -6.806 -23.650 -12.551 753 HB3 ALA 107 3HB ALA 107 -7.808 -24.752 -11.605 754 H ALA 108 H ALA 108 -5.219 -25.813 -13.488 755 HA ALA 108 HA ALA 108 -6.571 -28.293 -13.301 756 HB1 ALA 108 1HB ALA 108 -5.745 -28.756 -15.452 757 HB2 ALA 108 2HB ALA 108 -5.958 -27.005 -15.407 758 HB3 ALA 108 3HB ALA 108 -4.348 -27.702 -15.233 759 H LYS 109 H LYS 109 -3.179 -27.363 -12.918 760 HA LYS 109 HA LYS 109 -2.173 -29.995 -12.623 761 HB2 LYS 109 2HB LYS 109 -1.006 -27.421 -11.549 762 HB3 LYS 109 3HB LYS 109 -0.144 -28.934 -11.799 763 HG2 LYS 109 2HG LYS 109 -1.426 -27.326 -13.998 764 HG3 LYS 109 3HG LYS 109 0.278 -27.232 -13.548 765 HD2 LYS 109 2HD LYS 109 0.515 -28.812 -15.141 766 HD3 LYS 109 3HD LYS 109 0.000 -29.902 -13.852 767 HE2 LYS 109 2HE LYS 109 -2.099 -30.165 -14.728 768 HE3 LYS 109 3HE LYS 109 -2.093 -28.580 -15.501 769 HZ1 LYS 109 1HZ LYS 109 -1.512 -29.555 -17.384 770 HZ2 LYS 109 2HZ LYS 109 -1.479 -31.070 -16.633 771 HZ3 LYS 109 3HZ LYS 109 -0.081 -30.118 -16.677 772 H LYS 110 H LYS 110 -2.887 -27.468 -10.213 773 HA LYS 110 HA LYS 110 -2.583 -29.363 -8.044 774 HB2 LYS 110 2HB LYS 110 -3.426 -26.459 -8.026 775 HB3 LYS 110 3HB LYS 110 -3.101 -27.429 -6.596 776 HG2 LYS 110 2HG LYS 110 -0.973 -27.220 -8.656 777 HG3 LYS 110 3HG LYS 110 -1.287 -25.821 -7.627 778 HD2 LYS 110 2HD LYS 110 -1.247 -27.845 -5.804 779 HD3 LYS 110 3HD LYS 110 -0.057 -28.406 -6.980 780 HE2 LYS 110 2HE LYS 110 0.896 -26.015 -6.817 781 HE3 LYS 110 3HE LYS 110 -0.052 -25.899 -5.335 782 HZ1 LYS 110 1HZ LYS 110 1.108 -27.932 -4.563 783 HZ2 LYS 110 2HZ LYS 110 2.136 -26.606 -4.774 784 HZ3 LYS 110 3HZ LYS 110 2.109 -27.846 -5.925 Start of MODEL 8 1 H1 THR 12 H THR 12 -0.269 -1.821 0.228 2 HA THR 12 HA THR 12 0.983 0.392 -1.255 3 HB THR 12 HB THR 12 1.839 -2.458 -1.587 4 HG1 THR 12 HG1 THR 12 2.744 -0.722 0.487 5 HG21 THR 12 1HG2 THR 12 2.764 0.159 -2.373 6 HG22 THR 12 2HG2 THR 12 3.309 -1.429 -2.913 7 HG23 THR 12 3HG2 THR 12 4.011 -0.700 -1.469 8 H ASP 13 H ASP 13 0.762 0.557 -3.454 9 HA ASP 13 HA ASP 13 -1.014 -1.390 -4.765 10 HB2 ASP 13 2HB ASP 13 -2.207 0.349 -5.880 11 HB3 ASP 13 3HB ASP 13 -2.162 0.783 -4.174 12 H HIS 14 H HIS 14 -0.322 -2.148 -6.670 13 HA HIS 14 HA HIS 14 1.900 -0.740 -7.997 14 HB2 HIS 14 2HB HIS 14 2.893 -2.881 -8.575 15 HB3 HIS 14 3HB HIS 14 2.687 -2.778 -6.829 16 HD1 HIS 14 HD1 HIS 14 0.898 -4.326 -5.753 17 HD2 HIS 14 HD2 HIS 14 1.404 -4.867 -9.841 18 HE1 HIS 14 HE1 HIS 14 -0.261 -6.491 -6.293 19 H GLN 15 H GLN 15 1.690 -0.394 -10.130 20 HA GLN 15 HA GLN 15 -0.541 -1.726 -11.519 21 HB2 GLN 15 2HB GLN 15 -0.980 0.303 -12.741 22 HB3 GLN 15 3HB GLN 15 -0.991 0.669 -11.021 23 HG2 GLN 15 2HG GLN 15 1.621 1.127 -11.722 24 HG3 GLN 15 3HG GLN 15 0.728 1.676 -13.139 25 HE21 GLN 15 1HE2 GLN 15 -1.338 2.952 -12.448 26 HE22 GLN 15 2HE2 GLN 15 -1.055 4.200 -11.287 27 H THR 16 H THR 16 -0.076 -2.713 -13.385 28 HA THR 16 HA THR 16 2.274 -1.949 -14.920 29 HB THR 16 HB THR 16 1.938 -4.776 -13.898 30 HG1 THR 16 HG1 THR 16 3.447 -4.290 -12.454 31 HG21 THR 16 1HG2 THR 16 3.903 -3.495 -15.784 32 HG22 THR 16 2HG2 THR 16 2.889 -4.912 -16.055 33 HG23 THR 16 3HG2 THR 16 4.252 -5.002 -14.939 34 H VAL 17 H VAL 17 1.885 -2.089 -17.039 35 HA VAL 17 HA VAL 17 -0.466 -3.639 -17.907 36 HB VAL 17 HB VAL 17 0.782 -1.296 -19.345 37 HG11 VAL 17 1HG1 VAL 17 -0.400 -2.555 -20.915 38 HG12 VAL 17 2HG1 VAL 17 -1.684 -2.950 -19.771 39 HG13 VAL 17 3HG1 VAL 17 -1.549 -1.314 -20.416 40 HG21 VAL 17 1HG2 VAL 17 -0.105 -0.070 -17.686 41 HG22 VAL 17 2HG2 VAL 17 -1.645 -0.418 -18.472 42 HG23 VAL 17 3HG2 VAL 17 -1.110 -1.398 -17.107 43 H TYR 18 H TYR 18 -0.351 -4.868 -19.799 44 HA TYR 18 HA TYR 18 2.390 -5.513 -20.660 45 HB2 TYR 18 2HB TYR 18 -0.044 -7.291 -20.874 46 HB3 TYR 18 3HB TYR 18 1.635 -7.744 -21.144 47 HD1 TYR 18 HD1 TYR 18 3.112 -8.205 -19.294 48 HD2 TYR 18 HD2 TYR 18 -0.892 -6.940 -18.602 49 HE1 TYR 18 HE1 TYR 18 3.314 -8.873 -16.936 50 HE2 TYR 18 HE2 TYR 18 -0.699 -7.604 -16.242 51 HH TYR 18 HH TYR 18 1.612 -7.877 -14.589 52 H VAL 19 H VAL 19 2.938 -5.282 -22.741 53 HA VAL 19 HA VAL 19 0.795 -4.853 -24.715 54 HB VAL 19 HB VAL 19 3.382 -3.296 -24.590 55 HG11 VAL 19 1HG1 VAL 19 1.274 -3.602 -26.619 56 HG12 VAL 19 2HG1 VAL 19 1.770 -1.941 -26.285 57 HG13 VAL 19 3HG1 VAL 19 2.964 -3.134 -26.798 58 HG21 VAL 19 1HG2 VAL 19 1.839 -1.360 -24.149 59 HG22 VAL 19 2HG2 VAL 19 0.560 -2.539 -23.859 60 HG23 VAL 19 3HG2 VAL 19 1.990 -2.517 -22.827 61 H LYS 20 H LYS 20 1.178 -5.612 -26.785 62 HA LYS 20 HA LYS 20 2.657 -7.917 -27.106 63 HB2 LYS 20 2HB LYS 20 2.477 -7.386 -29.607 64 HB3 LYS 20 3HB LYS 20 0.977 -7.524 -28.698 65 HG2 LYS 20 2HG LYS 20 0.468 -5.332 -28.935 66 HG3 LYS 20 3HG LYS 20 2.159 -4.822 -28.918 67 HD2 LYS 20 2HD LYS 20 1.455 -6.454 -31.237 68 HD3 LYS 20 3HD LYS 20 0.545 -4.945 -31.136 69 HE2 LYS 20 2HE LYS 20 2.873 -3.885 -30.670 70 HE3 LYS 20 3HE LYS 20 3.496 -5.369 -31.388 71 HZ1 LYS 20 1HZ LYS 20 3.305 -3.799 -33.118 72 HZ2 LYS 20 2HZ LYS 20 1.743 -3.345 -32.655 73 HZ3 LYS 20 3HZ LYS 20 2.014 -4.873 -33.329 74 HA PRO 21 HA PRO 21 6.854 -6.798 -27.730 75 HB2 PRO 21 2HB PRO 21 7.635 -8.604 -29.600 76 HB3 PRO 21 3HB PRO 21 7.311 -9.042 -27.918 77 HG2 PRO 21 2HG PRO 21 5.552 -9.331 -30.323 78 HG3 PRO 21 3HG PRO 21 5.839 -10.479 -29.002 79 HD2 PRO 21 2HD PRO 21 3.632 -8.914 -29.120 80 HD3 PRO 21 3HD PRO 21 4.373 -9.405 -27.584 81 H VAL 22 H VAL 22 8.442 -6.068 -29.341 82 HA VAL 22 HA VAL 22 7.111 -4.738 -31.605 83 HB VAL 22 HB VAL 22 9.161 -3.230 -31.557 84 HG11 VAL 22 1HG1 VAL 22 6.830 -3.277 -29.831 85 HG12 VAL 22 2HG1 VAL 22 8.161 -2.351 -29.134 86 HG13 VAL 22 3HG1 VAL 22 7.541 -1.939 -30.733 87 HG21 VAL 22 1HG2 VAL 22 10.751 -3.439 -29.994 88 HG22 VAL 22 2HG2 VAL 22 9.582 -3.766 -28.714 89 HG23 VAL 22 3HG2 VAL 22 10.118 -5.071 -29.773 90 HA PRO 23 HA PRO 23 9.512 -6.950 -34.540 91 HB2 PRO 23 2HB PRO 23 9.886 -5.064 -36.456 92 HB3 PRO 23 3HB PRO 23 8.327 -5.846 -36.169 93 HG2 PRO 23 2HG PRO 23 9.303 -3.170 -35.248 94 HG3 PRO 23 3HG PRO 23 7.718 -3.617 -35.906 95 HD2 PRO 23 2HD PRO 23 8.158 -3.303 -33.253 96 HD3 PRO 23 3HD PRO 23 6.983 -4.469 -33.894 97 HA PRO 24 HA PRO 24 13.826 -6.211 -34.122 98 HB2 PRO 24 2HB PRO 24 14.800 -6.939 -36.549 99 HB3 PRO 24 3HB PRO 24 14.186 -8.105 -35.371 100 HG2 PRO 24 2HG PRO 24 12.825 -6.939 -37.770 101 HG3 PRO 24 3HG PRO 24 12.831 -8.616 -37.192 102 HD2 PRO 24 2HD PRO 24 10.761 -6.929 -36.745 103 HD3 PRO 24 3HD PRO 24 11.217 -8.206 -35.599 104 H THR 25 H THR 25 12.098 -4.585 -36.645 105 HA THR 25 HA THR 25 14.295 -2.862 -37.388 106 HB THR 25 HB THR 25 11.401 -2.392 -38.079 107 HG1 THR 25 HG1 THR 25 13.224 -4.037 -39.523 108 HG21 THR 25 1HG2 THR 25 12.617 -1.632 -40.239 109 HG22 THR 25 2HG2 THR 25 14.055 -1.591 -39.218 110 HG23 THR 25 3HG2 THR 25 12.663 -0.584 -38.822 111 H ALA 26 H ALA 26 11.371 -2.651 -35.424 112 HA ALA 26 HA ALA 26 11.363 0.091 -34.919 113 HB1 ALA 26 1HB ALA 26 10.297 -0.734 -32.663 114 HB2 ALA 26 2HB ALA 26 9.442 -0.923 -34.195 115 HB3 ALA 26 3HB ALA 26 10.299 -2.293 -33.489 116 H THR 27 H THR 27 13.036 1.236 -34.199 117 HA THR 27 HA THR 27 14.987 0.064 -32.400 118 HB THR 27 HB THR 27 15.741 2.674 -32.616 119 HG1 THR 27 HG1 THR 27 15.202 3.428 -34.618 120 HG21 THR 27 1HG2 THR 27 17.254 1.897 -34.421 121 HG22 THR 27 2HG2 THR 27 16.304 0.415 -34.540 122 HG23 THR 27 3HG2 THR 27 17.184 0.782 -33.057 123 H LEU 28 H LEU 28 15.809 1.720 -30.646 124 HA LEU 28 HA LEU 28 13.696 1.966 -28.751 125 HB2 LEU 28 2HB LEU 28 16.058 1.436 -28.187 126 HB3 LEU 28 3HB LEU 28 16.488 3.093 -28.606 127 HG LEU 28 HG LEU 28 14.368 3.026 -26.640 128 HD11 LEU 28 1HD1 LEU 28 15.506 2.041 -24.810 129 HD12 LEU 28 2HD1 LEU 28 16.972 1.803 -25.761 130 HD13 LEU 28 3HD1 LEU 28 15.527 0.857 -26.117 131 HD21 LEU 28 1HD2 LEU 28 15.870 4.930 -27.246 132 HD22 LEU 28 2HD2 LEU 28 17.187 4.072 -26.446 133 HD23 LEU 28 3HD2 LEU 28 15.779 4.590 -25.518 134 H GLU 29 H GLU 29 15.592 4.284 -30.645 135 HA GLU 29 HA GLU 29 14.483 6.620 -29.528 136 HB2 GLU 29 2HB GLU 29 16.527 6.739 -30.799 137 HB3 GLU 29 3HB GLU 29 15.726 6.111 -32.233 138 HG2 GLU 29 2HG GLU 29 14.416 8.115 -32.442 139 HG3 GLU 29 3HG GLU 29 15.060 8.736 -30.923 140 H GLN 30 H GLN 30 13.517 4.612 -32.265 141 HA GLN 30 HA GLN 30 11.461 6.323 -33.198 142 HB2 GLN 30 2HB GLN 30 12.642 4.254 -34.316 143 HB3 GLN 30 3HB GLN 30 11.325 3.359 -33.571 144 HG2 GLN 30 2HG GLN 30 9.870 4.032 -35.105 145 HG3 GLN 30 3HG GLN 30 10.383 5.713 -34.967 146 HE21 GLN 30 1HE2 GLN 30 9.816 3.718 -37.236 147 HE22 GLN 30 2HE2 GLN 30 11.150 3.952 -38.309 148 H LEU 31 H LEU 31 11.399 3.419 -31.143 149 HA LEU 31 HA LEU 31 8.644 3.321 -30.718 150 HB2 LEU 31 2HB LEU 31 11.034 2.173 -29.508 151 HB3 LEU 31 3HB LEU 31 9.725 2.414 -28.353 152 HG LEU 31 HG LEU 31 9.065 1.049 -30.906 153 HD11 LEU 31 1HD1 LEU 31 11.164 0.140 -29.156 154 HD12 LEU 31 2HD1 LEU 31 10.593 -0.544 -30.678 155 HD13 LEU 31 3HD1 LEU 31 9.813 -0.994 -29.162 156 HD21 LEU 31 1HD2 LEU 31 7.462 1.610 -29.017 157 HD22 LEU 31 2HD2 LEU 31 8.289 0.363 -28.084 158 HD23 LEU 31 3HD2 LEU 31 7.464 -0.060 -29.585 159 H THR 32 H THR 32 11.149 4.744 -28.615 160 HA THR 32 HA THR 32 9.451 5.828 -26.697 161 HB THR 32 HB THR 32 12.042 7.091 -27.602 162 HG1 THR 32 HG1 THR 32 12.928 5.285 -26.963 163 HG21 THR 32 1HG2 THR 32 10.186 7.644 -25.491 164 HG22 THR 32 2HG2 THR 32 11.680 8.486 -25.903 165 HG23 THR 32 3HG2 THR 32 11.718 7.112 -24.800 166 H GLU 33 H GLU 33 10.725 7.320 -29.663 167 HA GLU 33 HA GLU 33 9.689 9.863 -29.384 168 HB2 GLU 33 2HB GLU 33 11.208 9.207 -31.196 169 HB3 GLU 33 3HB GLU 33 9.930 8.246 -31.927 170 HG2 GLU 33 2HG GLU 33 8.864 10.048 -32.777 171 HG3 GLU 33 3HG GLU 33 9.330 11.096 -31.438 172 H PHE 34 H PHE 34 8.145 7.138 -31.093 173 HA PHE 34 HA PHE 34 5.726 8.395 -31.651 174 HB2 PHE 34 2HB PHE 34 6.689 5.608 -31.523 175 HB3 PHE 34 3HB PHE 34 4.949 5.808 -31.343 176 HD1 PHE 34 HD1 PHE 34 7.803 6.160 -33.594 177 HD2 PHE 34 HD2 PHE 34 3.596 6.640 -33.164 178 HE1 PHE 34 HE1 PHE 34 7.580 6.367 -36.036 179 HE2 PHE 34 HE2 PHE 34 3.366 6.846 -35.605 180 HZ PHE 34 HZ PHE 34 5.359 6.709 -37.044 181 H PHE 35 H PHE 35 6.732 6.571 -28.796 182 HA PHE 35 HA PHE 35 4.297 6.423 -27.468 183 HB2 PHE 35 2HB PHE 35 7.121 6.184 -26.754 184 HB3 PHE 35 3HB PHE 35 6.131 6.795 -25.433 185 HD1 PHE 35 HD1 PHE 35 3.990 5.461 -24.884 186 HD2 PHE 35 HD2 PHE 35 7.238 3.912 -27.156 187 HE1 PHE 35 HE1 PHE 35 3.244 3.170 -24.382 188 HE2 PHE 35 HE2 PHE 35 6.497 1.619 -26.659 189 HZ PHE 35 HZ PHE 35 4.497 1.246 -25.272 190 H SER 36 H SER 36 6.829 8.905 -27.088 191 HA SER 36 HA SER 36 5.392 10.555 -25.338 192 HB2 SER 36 2HB SER 36 7.661 11.090 -27.248 193 HB3 SER 36 3HB SER 36 6.972 12.371 -26.252 194 HG SER 36 HG SER 36 7.997 9.923 -25.246 195 H LYS 37 H LYS 37 5.393 10.315 -28.831 196 HA LYS 37 HA LYS 37 4.120 12.722 -29.467 197 HB2 LYS 37 2HB LYS 37 5.155 10.829 -30.975 198 HB3 LYS 37 3HB LYS 37 3.504 10.223 -30.995 199 HG2 LYS 37 2HG LYS 37 2.900 12.654 -31.686 200 HG3 LYS 37 3HG LYS 37 4.606 12.753 -32.130 201 HD2 LYS 37 2HD LYS 37 2.891 10.481 -33.073 202 HD3 LYS 37 3HD LYS 37 2.901 12.027 -33.925 203 HE2 LYS 37 2HE LYS 37 5.469 10.636 -33.270 204 HE3 LYS 37 3HE LYS 37 4.523 10.143 -34.673 205 HZ1 LYS 37 1HZ LYS 37 5.710 11.733 -35.688 206 HZ2 LYS 37 2HZ LYS 37 6.091 12.540 -34.251 207 HZ3 LYS 37 3HZ LYS 37 4.591 12.794 -34.991 208 H HIS 38 H HIS 38 2.824 9.633 -28.396 209 HA HIS 38 HA HIS 38 0.281 10.936 -27.824 210 HB2 HIS 38 2HB HIS 38 0.154 9.867 -30.123 211 HB3 HIS 38 3HB HIS 38 0.337 8.312 -29.316 212 HD1 HIS 38 HD1 HIS 38 -2.044 11.248 -29.473 213 HD2 HIS 38 HD2 HIS 38 -1.974 7.267 -28.288 214 HE1 HIS 38 HE1 HIS 38 -4.430 10.665 -28.936 215 H GLY 39 H GLY 39 0.047 10.595 -25.714 216 HA2 GLY 39 2HA GLY 39 -0.569 9.167 -23.921 217 HA3 GLY 39 3HA GLY 39 0.275 7.847 -24.717 218 H THR 40 H THR 40 0.396 9.216 -21.967 219 HA THR 40 HA THR 40 3.289 9.762 -21.938 220 HB THR 40 HB THR 40 1.349 10.439 -19.729 221 HG1 THR 40 HG1 THR 40 2.075 11.901 -22.048 222 HG21 THR 40 1HG2 THR 40 3.484 10.576 -18.840 223 HG22 THR 40 2HG2 THR 40 3.227 12.223 -19.416 224 HG23 THR 40 3HG2 THR 40 4.197 11.098 -20.366 225 H VAL 41 H VAL 41 4.484 8.096 -21.311 226 HA VAL 41 HA VAL 41 3.374 6.231 -19.316 227 HB VAL 41 HB VAL 41 4.930 4.546 -20.191 228 HG11 VAL 41 1HG1 VAL 41 3.320 3.909 -21.583 229 HG12 VAL 41 2HG1 VAL 41 2.613 5.518 -21.429 230 HG13 VAL 41 3HG1 VAL 41 3.749 5.174 -22.734 231 HG21 VAL 41 1HG2 VAL 41 6.700 5.993 -20.985 232 HG22 VAL 41 2HG2 VAL 41 6.129 4.972 -22.305 233 HG23 VAL 41 3HG2 VAL 41 5.635 6.663 -22.221 234 H GLN 42 H GLN 42 4.583 5.666 -17.541 235 HA GLN 42 HA GLN 42 6.521 7.551 -16.654 236 HB2 GLN 42 2HB GLN 42 4.851 6.151 -15.261 237 HB3 GLN 42 3HB GLN 42 6.058 4.875 -15.365 238 HG2 GLN 42 2HG GLN 42 7.510 7.084 -14.573 239 HG3 GLN 42 3HG GLN 42 5.989 7.240 -13.695 240 HE21 GLN 42 1HE2 GLN 42 5.437 5.712 -12.164 241 HE22 GLN 42 2HE2 GLN 42 6.568 4.560 -11.549 242 H ALA 43 H ALA 43 6.767 4.045 -17.277 243 HA ALA 43 HA ALA 43 9.370 4.374 -18.468 244 HB1 ALA 43 1HB ALA 43 9.940 4.407 -16.085 245 HB2 ALA 43 2HB ALA 43 9.144 2.846 -15.877 246 HB3 ALA 43 3HB ALA 43 10.581 2.975 -16.890 247 H VAL 44 H VAL 44 10.278 2.248 -19.174 248 HA VAL 44 HA VAL 44 8.313 0.098 -19.385 249 HB VAL 44 HB VAL 44 7.862 1.428 -21.364 250 HG11 VAL 44 1HG1 VAL 44 9.707 1.626 -23.098 251 HG12 VAL 44 2HG1 VAL 44 9.833 2.677 -21.686 252 HG13 VAL 44 3HG1 VAL 44 10.829 1.225 -21.798 253 HG21 VAL 44 1HG2 VAL 44 7.794 -1.040 -21.515 254 HG22 VAL 44 2HG2 VAL 44 8.169 -0.269 -23.056 255 HG23 VAL 44 3HG2 VAL 44 9.453 -1.023 -22.112 256 H TRP 45 H TRP 45 9.199 -1.927 -19.697 257 HA TRP 45 HA TRP 45 11.968 -2.284 -20.365 258 HB2 TRP 45 2HB TRP 45 11.798 -1.614 -17.840 259 HB3 TRP 45 3HB TRP 45 11.242 -3.272 -17.628 260 HD1 TRP 45 HD1 TRP 45 13.093 -4.990 -17.218 261 HE1 TRP 45 HE1 TRP 45 15.640 -5.077 -17.579 262 HE3 TRP 45 HE3 TRP 45 13.724 -0.532 -19.640 263 HZ2 TRP 45 HZ2 TRP 45 17.650 -3.469 -18.736 264 HZ3 TRP 45 HZ3 TRP 45 15.991 0.120 -20.340 265 HH2 TRP 45 HH2 TRP 45 17.912 -1.320 -19.896 266 H ARG 46 H ARG 46 12.592 -4.654 -20.141 267 HA ARG 46 HA ARG 46 10.430 -6.554 -20.036 268 HB2 ARG 46 2HB ARG 46 10.783 -7.385 -22.350 269 HB3 ARG 46 3HB ARG 46 10.092 -5.769 -22.292 270 HG2 ARG 46 2HG ARG 46 13.042 -6.009 -22.501 271 HG3 ARG 46 3HG ARG 46 12.071 -6.390 -23.924 272 HD2 ARG 46 2HD ARG 46 11.238 -3.940 -22.580 273 HD3 ARG 46 3HD ARG 46 12.903 -3.883 -23.157 274 HE ARG 46 HE ARG 46 10.516 -3.890 -24.753 275 HH11 ARG 46 1HH1 ARG 46 13.911 -4.659 -24.690 276 HH12 ARG 46 2HH1 ARG 46 14.106 -4.527 -26.406 277 HH21 ARG 46 1HH2 ARG 46 10.760 -3.713 -27.014 278 HH22 ARG 46 2HH2 ARG 46 12.313 -3.989 -27.727 279 H ARG 47 H ARG 47 11.137 -8.651 -19.757 280 HA ARG 47 HA ARG 47 13.968 -9.254 -20.068 281 HB2 ARG 47 2HB ARG 47 14.205 -10.053 -17.765 282 HB3 ARG 47 3HB ARG 47 13.827 -8.336 -17.804 283 HG2 ARG 47 2HG ARG 47 11.466 -10.036 -17.620 284 HG3 ARG 47 3HG ARG 47 12.577 -10.216 -16.261 285 HD2 ARG 47 2HD ARG 47 11.518 -7.582 -17.280 286 HD3 ARG 47 3HD ARG 47 10.847 -8.470 -15.912 287 HE ARG 47 HE ARG 47 13.635 -7.999 -15.590 288 HH11 ARG 47 1HH1 ARG 47 10.507 -6.491 -15.346 289 HH12 ARG 47 2HH1 ARG 47 11.012 -5.335 -14.159 290 HH21 ARG 47 1HH2 ARG 47 14.312 -6.481 -14.028 291 HH22 ARG 47 2HH2 ARG 47 13.177 -5.329 -13.410 292 H TYR 48 H TYR 48 14.423 -11.578 -19.669 293 HA TYR 48 HA TYR 48 12.088 -13.324 -19.841 294 HB2 TYR 48 2HB TYR 48 13.062 -14.520 -21.790 295 HB3 TYR 48 3HB TYR 48 12.592 -12.866 -22.165 296 HD1 TYR 48 HD1 TYR 48 15.295 -15.246 -22.064 297 HD2 TYR 48 HD2 TYR 48 14.376 -11.099 -22.321 298 HE1 TYR 48 HE1 TYR 48 17.559 -14.804 -22.917 299 HE2 TYR 48 HE2 TYR 48 16.637 -10.646 -23.176 300 HH TYR 48 HH TYR 48 18.480 -11.673 -24.145 301 H PHE 49 H PHE 49 12.351 -14.884 -18.403 302 HA PHE 49 HA PHE 49 14.965 -15.475 -17.323 303 HB2 PHE 49 2HB PHE 49 12.163 -16.020 -16.578 304 HB3 PHE 49 3HB PHE 49 13.308 -17.286 -16.145 305 HD1 PHE 49 HD1 PHE 49 13.285 -13.551 -16.087 306 HD2 PHE 49 HD2 PHE 49 14.034 -17.174 -13.982 307 HE1 PHE 49 HE1 PHE 49 13.959 -12.257 -14.105 308 HE2 PHE 49 HE2 PHE 49 14.708 -15.886 -11.997 309 HZ PHE 49 HZ PHE 49 14.671 -13.424 -12.057 310 H ALA 50 H ALA 50 16.284 -16.927 -18.175 311 HA ALA 50 HA ALA 50 15.369 -18.818 -20.141 312 HB1 ALA 50 1HB ALA 50 17.441 -18.253 -20.797 313 HB2 ALA 50 2HB ALA 50 17.957 -17.837 -19.162 314 HB3 ALA 50 3HB ALA 50 17.947 -19.522 -19.682 315 H GLY 51 H GLY 51 16.295 -18.890 -16.762 316 HA2 GLY 51 2HA GLY 51 15.649 -20.523 -15.213 317 HA3 GLY 51 3HA GLY 51 15.209 -21.581 -16.546 318 H LYS 52 H LYS 52 17.505 -20.906 -14.175 319 HA LYS 52 HA LYS 52 19.282 -22.957 -15.292 320 HB2 LYS 52 2HB LYS 52 20.304 -20.462 -13.932 321 HB3 LYS 52 3HB LYS 52 21.258 -21.723 -14.702 322 HG2 LYS 52 2HG LYS 52 21.294 -20.351 -16.459 323 HG3 LYS 52 3HG LYS 52 19.646 -20.916 -16.748 324 HD2 LYS 52 2HD LYS 52 18.718 -18.966 -16.066 325 HD3 LYS 52 3HD LYS 52 19.943 -18.693 -14.826 326 HE2 LYS 52 2HE LYS 52 20.796 -18.518 -17.662 327 HE3 LYS 52 3HE LYS 52 19.786 -17.216 -17.036 328 HZ1 LYS 52 1HZ LYS 52 21.967 -16.537 -16.637 329 HZ2 LYS 52 2HZ LYS 52 22.461 -18.066 -16.109 330 HZ3 LYS 52 3HZ LYS 52 21.446 -17.123 -15.138 331 H LYS 53 H LYS 53 17.516 -23.781 -13.561 332 HA LYS 53 HA LYS 53 19.086 -24.367 -11.195 333 HB2 LYS 53 2HB LYS 53 17.384 -23.719 -9.607 334 HB3 LYS 53 3HB LYS 53 17.814 -22.325 -10.589 335 HG2 LYS 53 2HG LYS 53 15.611 -23.777 -11.754 336 HG3 LYS 53 3HG LYS 53 15.264 -23.303 -10.089 337 HD2 LYS 53 2HD LYS 53 15.469 -21.040 -10.556 338 HD3 LYS 53 3HD LYS 53 16.442 -21.325 -12.002 339 HE2 LYS 53 2HE LYS 53 14.602 -21.171 -13.235 340 HE3 LYS 53 3HE LYS 53 13.960 -22.596 -12.420 341 HZ1 LYS 53 1HZ LYS 53 13.053 -19.955 -12.259 342 HZ2 LYS 53 2HZ LYS 53 13.626 -20.393 -10.729 343 HZ3 LYS 53 3HZ LYS 53 12.431 -21.324 -11.483 344 H ASP 54 H ASP 54 17.626 -25.863 -9.706 345 HA ASP 54 HA ASP 54 16.569 -27.928 -11.499 346 HB2 ASP 54 2HB ASP 54 18.435 -28.468 -9.889 347 HB3 ASP 54 3HB ASP 54 17.287 -28.213 -8.578 348 H ALA 55 H ALA 55 15.046 -25.551 -10.698 349 HA ALA 55 HA ALA 55 12.868 -26.860 -9.203 350 HB1 ALA 55 1HB ALA 55 14.147 -24.353 -8.781 351 HB2 ALA 55 2HB ALA 55 12.469 -24.059 -9.241 352 HB3 ALA 55 3HB ALA 55 12.837 -25.095 -7.862 353 HA PRO 56 HA PRO 56 10.147 -26.410 -12.615 354 HB2 PRO 56 2HB PRO 56 7.812 -25.722 -11.413 355 HB3 PRO 56 3HB PRO 56 8.505 -27.345 -11.307 356 HG2 PRO 56 2HG PRO 56 8.622 -25.101 -9.328 357 HG3 PRO 56 3HG PRO 56 8.334 -26.828 -9.046 358 HD2 PRO 56 2HD PRO 56 10.744 -25.666 -8.629 359 HD3 PRO 56 3HD PRO 56 10.576 -27.350 -9.165 360 HA PRO 57 HA PRO 57 9.724 -22.252 -13.981 361 HB2 PRO 57 2HB PRO 57 7.412 -22.319 -15.404 362 HB3 PRO 57 3HB PRO 57 8.907 -23.077 -15.964 363 HG2 PRO 57 2HG PRO 57 6.539 -24.323 -14.622 364 HG3 PRO 57 3HG PRO 57 7.482 -24.914 -16.003 365 HD2 PRO 57 2HD PRO 57 7.834 -25.856 -13.489 366 HD3 PRO 57 3HD PRO 57 9.162 -25.744 -14.661 367 H GLU 58 H GLU 58 9.412 -20.967 -12.192 368 HA GLU 58 HA GLU 58 6.708 -20.719 -11.101 369 HB2 GLU 58 2HB GLU 58 8.798 -20.982 -9.643 370 HB3 GLU 58 3HB GLU 58 9.176 -19.323 -10.086 371 HG2 GLU 58 2HG GLU 58 8.094 -19.198 -8.011 372 HG3 GLU 58 3HG GLU 58 6.894 -18.701 -9.203 373 H SER 59 H SER 59 9.294 -18.710 -12.472 374 HA SER 59 HA SER 59 7.596 -16.375 -12.556 375 HB2 SER 59 2HB SER 59 10.124 -16.416 -14.108 376 HB3 SER 59 3HB SER 59 9.495 -15.191 -13.006 377 HG SER 59 HG SER 59 10.046 -16.676 -11.283 378 H ARG 60 H ARG 60 7.414 -15.142 -14.654 379 HA ARG 60 HA ARG 60 6.674 -17.017 -16.798 380 HB2 ARG 60 2HB ARG 60 5.654 -14.200 -16.446 381 HB3 ARG 60 3HB ARG 60 5.009 -15.453 -17.497 382 HG2 ARG 60 2HG ARG 60 4.981 -15.512 -14.487 383 HG3 ARG 60 3HG ARG 60 3.614 -15.103 -15.524 384 HD2 ARG 60 2HD ARG 60 5.077 -17.739 -15.557 385 HD3 ARG 60 3HD ARG 60 3.563 -17.440 -14.705 386 HE ARG 60 HE ARG 60 3.032 -16.700 -17.267 387 HH11 ARG 60 1HH1 ARG 60 4.276 -19.589 -15.774 388 HH12 ARG 60 2HH1 ARG 60 3.621 -20.649 -16.978 389 HH21 ARG 60 1HH2 ARG 60 2.165 -18.086 -18.858 390 HH22 ARG 60 2HH2 ARG 60 2.422 -19.794 -18.732 391 H THR 61 H THR 61 7.834 -16.981 -18.600 392 HA THR 61 HA THR 61 9.445 -14.582 -19.185 393 HB THR 61 HB THR 61 10.959 -16.353 -18.733 394 HG1 THR 61 HG1 THR 61 11.713 -16.806 -21.019 395 HG21 THR 61 1HG2 THR 61 8.897 -17.990 -19.970 396 HG22 THR 61 2HG2 THR 61 10.163 -18.443 -18.829 397 HG23 THR 61 3HG2 THR 61 10.512 -18.386 -20.557 398 H LYS 62 H LYS 62 8.404 -13.452 -20.705 399 HA LYS 62 HA LYS 62 7.696 -14.831 -23.191 400 HB2 LYS 62 2HB LYS 62 5.647 -13.263 -23.273 401 HB3 LYS 62 3HB LYS 62 5.558 -14.701 -22.264 402 HG2 LYS 62 2HG LYS 62 6.551 -12.276 -20.927 403 HG3 LYS 62 3HG LYS 62 4.864 -12.232 -21.445 404 HD2 LYS 62 2HD LYS 62 5.995 -14.547 -19.897 405 HD3 LYS 62 3HD LYS 62 5.353 -13.111 -19.095 406 HE2 LYS 62 2HE LYS 62 3.267 -13.829 -19.370 407 HE3 LYS 62 3HE LYS 62 3.516 -14.019 -21.105 408 HZ1 LYS 62 1HZ LYS 62 3.380 -16.011 -19.082 409 HZ2 LYS 62 2HZ LYS 62 4.830 -16.135 -19.944 410 HZ3 LYS 62 3HZ LYS 62 3.351 -16.190 -20.764 411 HA PRO 63 HA PRO 63 9.616 -11.437 -25.205 412 HB2 PRO 63 2HB PRO 63 8.122 -11.209 -27.461 413 HB3 PRO 63 3HB PRO 63 9.250 -12.542 -27.186 414 HG2 PRO 63 2HG PRO 63 6.278 -12.470 -26.829 415 HG3 PRO 63 3HG PRO 63 7.288 -13.738 -27.548 416 HD2 PRO 63 2HD PRO 63 6.339 -13.892 -25.016 417 HD3 PRO 63 3HD PRO 63 7.900 -14.590 -25.495 418 H SER 64 H SER 64 6.266 -11.260 -24.368 419 HA SER 64 HA SER 64 5.517 -8.757 -25.256 420 HB2 SER 64 2HB SER 64 4.699 -9.434 -22.488 421 HB3 SER 64 3HB SER 64 3.713 -8.983 -23.879 422 HG SER 64 HG SER 64 3.347 -11.139 -23.406 423 H VAL 65 H VAL 65 5.467 -6.686 -24.244 424 HA VAL 65 HA VAL 65 7.809 -6.210 -22.528 425 HB VAL 65 HB VAL 65 7.687 -3.864 -23.305 426 HG11 VAL 65 1HG1 VAL 65 9.137 -5.493 -24.430 427 HG12 VAL 65 2HG1 VAL 65 7.825 -5.880 -25.545 428 HG13 VAL 65 3HG1 VAL 65 8.539 -4.266 -25.546 429 HG21 VAL 65 1HG2 VAL 65 5.232 -3.936 -23.808 430 HG22 VAL 65 2HG2 VAL 65 6.222 -3.190 -25.063 431 HG23 VAL 65 3HG2 VAL 65 5.624 -4.835 -25.275 432 H PHE 66 H PHE 66 7.656 -4.846 -20.731 433 HA PHE 66 HA PHE 66 4.924 -4.542 -19.688 434 HB2 PHE 66 2HB PHE 66 7.485 -4.508 -18.089 435 HB3 PHE 66 3HB PHE 66 5.841 -4.663 -17.479 436 HD1 PHE 66 HD1 PHE 66 8.758 -6.405 -18.277 437 HD2 PHE 66 HD2 PHE 66 4.518 -6.739 -18.448 438 HE1 PHE 66 HE1 PHE 66 8.958 -8.855 -18.379 439 HE2 PHE 66 HE2 PHE 66 4.711 -9.189 -18.549 440 HZ PHE 66 HZ PHE 66 6.933 -10.251 -18.514 441 H VAL 67 H VAL 67 4.114 -2.573 -19.386 442 HA VAL 67 HA VAL 67 5.974 -0.290 -19.270 443 HB VAL 67 HB VAL 67 4.258 1.055 -20.474 444 HG11 VAL 67 1HG1 VAL 67 5.661 -1.253 -21.745 445 HG12 VAL 67 2HG1 VAL 67 4.634 -0.205 -22.727 446 HG13 VAL 67 3HG1 VAL 67 6.010 0.472 -21.854 447 HG21 VAL 67 1HG2 VAL 67 2.600 -0.287 -21.839 448 HG22 VAL 67 2HG2 VAL 67 2.953 -1.640 -20.764 449 HG23 VAL 67 3HG2 VAL 67 2.259 -0.155 -20.113 450 H VAL 68 H VAL 68 5.544 1.272 -17.784 451 HA VAL 68 HA VAL 68 3.148 0.888 -16.108 452 HB VAL 68 HB VAL 68 5.867 1.866 -15.226 453 HG11 VAL 68 1HG1 VAL 68 3.242 2.141 -14.066 454 HG12 VAL 68 2HG1 VAL 68 4.309 1.217 -13.007 455 HG13 VAL 68 3HG1 VAL 68 4.778 2.831 -13.544 456 HG21 VAL 68 1HG2 VAL 68 5.670 -0.584 -15.714 457 HG22 VAL 68 2HG2 VAL 68 6.095 -0.195 -14.047 458 HG23 VAL 68 3HG2 VAL 68 4.446 -0.674 -14.448 459 H PHE 69 H PHE 69 1.765 2.518 -16.211 460 HA PHE 69 HA PHE 69 2.560 5.056 -17.346 461 HB2 PHE 69 2HB PHE 69 -0.002 3.712 -16.681 462 HB3 PHE 69 3HB PHE 69 -0.004 5.473 -16.655 463 HD1 PHE 69 HD1 PHE 69 -0.369 6.633 -18.613 464 HD2 PHE 69 HD2 PHE 69 1.009 2.610 -18.810 465 HE1 PHE 69 HE1 PHE 69 -0.620 6.669 -21.061 466 HE2 PHE 69 HE2 PHE 69 0.760 2.641 -21.257 467 HZ PHE 69 HZ PHE 69 -0.055 4.672 -22.386 468 H ASN 70 H ASN 70 2.496 7.053 -16.326 469 HA ASN 70 HA ASN 70 2.993 6.974 -13.479 470 HB2 ASN 70 2HB ASN 70 4.415 8.351 -14.925 471 HB3 ASN 70 3HB ASN 70 3.014 9.295 -15.422 472 HD21 ASN 70 1HD2 ASN 70 4.420 11.052 -14.639 473 HD22 ASN 70 2HD2 ASN 70 4.344 11.469 -12.964 474 H SER 71 H SER 71 0.610 8.404 -15.673 475 HA SER 71 HA SER 71 -0.896 9.579 -13.513 476 HB2 SER 71 2HB SER 71 -1.601 9.256 -16.440 477 HB3 SER 71 3HB SER 71 -2.483 10.243 -15.275 478 HG SER 71 HG SER 71 -1.083 11.761 -15.599 479 H SER 72 H SER 72 -2.509 8.681 -12.405 480 HA SER 72 HA SER 72 -3.088 5.947 -12.554 481 HB2 SER 72 2HB SER 72 -5.180 6.720 -11.161 482 HB3 SER 72 3HB SER 72 -3.562 6.856 -10.473 483 HG SER 72 HG SER 72 -3.618 8.993 -10.709 484 H GLU 73 H GLU 73 -5.087 8.725 -13.548 485 HA GLU 73 HA GLU 73 -7.233 7.295 -14.589 486 HB2 GLU 73 2HB GLU 73 -7.242 9.734 -14.218 487 HB3 GLU 73 3HB GLU 73 -6.133 9.936 -15.567 488 HG2 GLU 73 2HG GLU 73 -7.741 9.615 -17.124 489 HG3 GLU 73 3HG GLU 73 -8.647 8.485 -16.118 490 H GLU 74 H GLU 74 -4.535 8.725 -16.439 491 HA GLU 74 HA GLU 74 -5.157 7.609 -18.902 492 HB2 GLU 74 2HB GLU 74 -3.243 9.294 -18.046 493 HB3 GLU 74 3HB GLU 74 -2.279 7.834 -18.221 494 HG2 GLU 74 2HG GLU 74 -2.181 9.173 -20.232 495 HG3 GLU 74 3HG GLU 74 -2.988 7.638 -20.547 496 H ALA 75 H ALA 75 -3.374 6.247 -16.195 497 HA ALA 75 HA ALA 75 -2.304 3.994 -17.472 498 HB1 ALA 75 1HB ALA 75 -3.148 4.342 -14.598 499 HB2 ALA 75 2HB ALA 75 -2.152 3.022 -15.211 500 HB3 ALA 75 3HB ALA 75 -1.555 4.680 -15.277 501 H GLU 76 H GLU 76 -5.355 4.371 -15.674 502 HA GLU 76 HA GLU 76 -6.246 1.724 -16.044 503 HB2 GLU 76 2HB GLU 76 -7.440 4.279 -15.155 504 HB3 GLU 76 3HB GLU 76 -8.569 3.085 -15.779 505 HG2 GLU 76 2HG GLU 76 -6.923 1.647 -14.074 506 HG3 GLU 76 3HG GLU 76 -7.190 3.179 -13.245 507 H ALA 77 H ALA 77 -6.740 4.677 -17.919 508 HA ALA 77 HA ALA 77 -8.649 3.743 -19.721 509 HB1 ALA 77 1HB ALA 77 -6.955 5.473 -21.150 510 HB2 ALA 77 2HB ALA 77 -8.472 5.865 -20.340 511 HB3 ALA 77 3HB ALA 77 -6.944 6.028 -19.476 512 H PHE 78 H PHE 78 -5.102 3.800 -20.080 513 HA PHE 78 HA PHE 78 -5.046 2.466 -22.559 514 HB2 PHE 78 2HB PHE 78 -3.076 3.186 -20.471 515 HB3 PHE 78 3HB PHE 78 -2.627 1.844 -21.519 516 HD1 PHE 78 HD1 PHE 78 -1.788 2.232 -23.657 517 HD2 PHE 78 HD2 PHE 78 -3.739 5.381 -21.560 518 HE1 PHE 78 HE1 PHE 78 -1.077 3.825 -25.393 519 HE2 PHE 78 HE2 PHE 78 -3.032 6.978 -23.293 520 HZ PHE 78 HZ PHE 78 -1.700 6.201 -25.213 521 H GLN 79 H GLN 79 -4.939 1.298 -19.235 522 HA GLN 79 HA GLN 79 -4.261 -1.364 -19.726 523 HB2 GLN 79 2HB GLN 79 -5.077 0.178 -17.510 524 HB3 GLN 79 3HB GLN 79 -6.177 -1.191 -17.587 525 HG2 GLN 79 2HG GLN 79 -4.531 -2.721 -17.176 526 HG3 GLN 79 3HG GLN 79 -3.261 -1.698 -17.846 527 HE21 GLN 79 1HE2 GLN 79 -2.729 -2.914 -15.542 528 HE22 GLN 79 2HE2 GLN 79 -2.760 -1.801 -14.222 529 H LYS 80 H LYS 80 -7.451 0.186 -19.593 530 HA LYS 80 HA LYS 80 -9.022 -2.089 -19.948 531 HB2 LYS 80 2HB LYS 80 -9.882 0.161 -19.340 532 HB3 LYS 80 3HB LYS 80 -9.584 0.695 -20.989 533 HG2 LYS 80 2HG LYS 80 -11.194 -0.925 -21.824 534 HG3 LYS 80 3HG LYS 80 -11.474 -1.506 -20.180 535 HD2 LYS 80 2HD LYS 80 -13.193 -0.037 -20.266 536 HD3 LYS 80 3HD LYS 80 -11.934 1.117 -19.820 537 HE2 LYS 80 2HE LYS 80 -11.585 1.377 -22.361 538 HE3 LYS 80 3HE LYS 80 -13.166 0.610 -22.506 539 HZ1 LYS 80 1HZ LYS 80 -14.219 2.389 -21.556 540 HZ2 LYS 80 2HZ LYS 80 -12.964 3.183 -22.366 541 HZ3 LYS 80 3HZ LYS 80 -12.853 2.905 -20.701 542 H ALA 81 H ALA 81 -8.330 0.305 -22.502 543 HA ALA 81 HA ALA 81 -8.196 -1.926 -24.423 544 HB1 ALA 81 1HB ALA 81 -9.782 0.576 -24.516 545 HB2 ALA 81 2HB ALA 81 -9.071 0.006 -26.026 546 HB3 ALA 81 3HB ALA 81 -10.167 -1.036 -25.120 547 HA PRO 82 HA PRO 82 -4.373 -0.335 -25.872 548 HB2 PRO 82 2HB PRO 82 -4.544 -0.750 -28.550 549 HB3 PRO 82 3HB PRO 82 -4.336 -2.064 -27.385 550 HG2 PRO 82 2HG PRO 82 -6.831 -1.108 -28.736 551 HG3 PRO 82 3HG PRO 82 -6.280 -2.769 -28.448 552 HD2 PRO 82 2HD PRO 82 -8.146 -1.564 -26.900 553 HD3 PRO 82 3HD PRO 82 -7.004 -2.763 -26.260 554 HA PRO 83 HA PRO 83 -4.637 3.808 -27.322 555 HB2 PRO 83 2HB PRO 83 -2.414 4.049 -28.863 556 HB3 PRO 83 3HB PRO 83 -2.354 3.941 -27.099 557 HG2 PRO 83 2HG PRO 83 -1.898 1.803 -29.145 558 HG3 PRO 83 3HG PRO 83 -0.987 2.145 -27.662 559 HD2 PRO 83 2HD PRO 83 -2.826 0.164 -27.817 560 HD3 PRO 83 3HD PRO 83 -2.522 1.070 -26.320 561 H MET 84 H MET 84 -4.078 1.368 -29.815 562 HA MET 84 HA MET 84 -4.845 1.150 -31.944 563 HB2 MET 84 2HB MET 84 -6.925 2.484 -30.499 564 HB3 MET 84 3HB MET 84 -6.860 3.138 -32.130 565 HG2 MET 84 2HG MET 84 -6.645 0.331 -32.340 566 HG3 MET 84 3HG MET 84 -7.967 0.682 -31.228 567 HE1 MET 84 1HE MET 84 -8.147 0.281 -35.469 568 HE2 MET 84 2HE MET 84 -6.961 1.575 -35.297 569 HE3 MET 84 3HE MET 84 -6.764 0.072 -34.394 570 H TYR 85 H TYR 85 -3.055 1.912 -33.024 571 HA TYR 85 HA TYR 85 -3.169 4.734 -33.868 572 HB2 TYR 85 2HB TYR 85 -1.103 3.453 -32.509 573 HB3 TYR 85 3HB TYR 85 -0.557 3.494 -34.182 574 HD1 TYR 85 HD1 TYR 85 0.184 5.064 -31.424 575 HD2 TYR 85 HD2 TYR 85 -1.695 6.050 -35.111 576 HE1 TYR 85 HE1 TYR 85 0.867 7.409 -31.137 577 HE2 TYR 85 HE2 TYR 85 -1.017 8.398 -34.835 578 HH TYR 85 HH TYR 85 0.769 9.668 -33.616 579 H ASP 86 H ASP 86 -3.490 5.057 -35.961 580 HA ASP 86 HA ASP 86 -3.957 3.067 -37.821 581 HB2 ASP 86 2HB ASP 86 -3.461 5.983 -37.944 582 HB3 ASP 86 3HB ASP 86 -3.222 5.097 -39.447 583 H ASP 87 H ASP 87 -0.969 4.884 -37.241 584 HA ASP 87 HA ASP 87 0.580 3.940 -39.324 585 HB2 ASP 87 2HB ASP 87 1.068 5.141 -36.706 586 HB3 ASP 87 3HB ASP 87 2.363 4.058 -37.210 587 H VAL 88 H VAL 88 0.618 2.611 -36.010 588 HA VAL 88 HA VAL 88 1.080 -0.051 -37.176 589 HB VAL 88 HB VAL 88 2.480 1.016 -34.721 590 HG11 VAL 88 1HG1 VAL 88 3.612 -1.352 -35.903 591 HG12 VAL 88 2HG1 VAL 88 3.052 -1.081 -34.251 592 HG13 VAL 88 3HG1 VAL 88 1.916 -1.611 -35.493 593 HG21 VAL 88 1HG2 VAL 88 4.442 0.409 -36.499 594 HG22 VAL 88 2HG2 VAL 88 3.189 1.037 -37.570 595 HG23 VAL 88 3HG2 VAL 88 3.791 2.028 -36.242 596 H GLN 89 H GLN 89 -0.267 -1.561 -36.442 597 HA GLN 89 HA GLN 89 -2.344 -0.962 -34.638 598 HB2 GLN 89 2HB GLN 89 -1.853 -2.948 -36.476 599 HB3 GLN 89 3HB GLN 89 -1.747 -3.814 -34.949 600 HG2 GLN 89 2HG GLN 89 -3.978 -2.773 -34.363 601 HG3 GLN 89 3HG GLN 89 -4.075 -2.275 -36.051 602 HE21 GLN 89 1HE2 GLN 89 -3.559 -5.122 -34.016 603 HE22 GLN 89 2HE2 GLN 89 -4.363 -6.235 -35.064 604 H LEU 90 H LEU 90 -2.327 -0.877 -32.499 605 HA LEU 90 HA LEU 90 -0.128 -2.166 -31.048 606 HB2 LEU 90 2HB LEU 90 -1.503 0.333 -30.801 607 HB3 LEU 90 3HB LEU 90 -1.675 -0.582 -29.304 608 HG LEU 90 HG LEU 90 0.216 0.911 -29.150 609 HD11 LEU 90 1HD1 LEU 90 1.606 -0.573 -28.150 610 HD12 LEU 90 2HD1 LEU 90 1.602 -1.677 -29.525 611 HD13 LEU 90 3HD1 LEU 90 0.234 -1.649 -28.412 612 HD21 LEU 90 1HD2 LEU 90 1.309 -0.530 -31.564 613 HD22 LEU 90 2HD2 LEU 90 2.139 0.713 -30.628 614 HD23 LEU 90 3HD2 LEU 90 0.688 1.120 -31.545 615 H THR 91 H THR 91 -0.461 -3.704 -29.527 616 HA THR 91 HA THR 91 -3.250 -4.475 -28.967 617 HB THR 91 HB THR 91 -1.166 -6.590 -28.905 618 HG1 THR 91 HG1 THR 91 -2.244 -5.517 -31.318 619 HG21 THR 91 1HG2 THR 91 -3.628 -6.873 -28.356 620 HG22 THR 91 2HG2 THR 91 -2.961 -8.001 -29.536 621 HG23 THR 91 3HG2 THR 91 -3.940 -6.638 -30.075 622 H ALA 92 H ALA 92 -3.554 -3.812 -26.922 623 HA ALA 92 HA ALA 92 -1.497 -4.495 -24.926 624 HB1 ALA 92 1HB ALA 92 -1.750 -2.483 -24.006 625 HB2 ALA 92 2HB ALA 92 -2.671 -2.042 -25.444 626 HB3 ALA 92 3HB ALA 92 -3.508 -2.623 -24.005 627 H GLU 93 H GLU 93 -2.083 -5.538 -23.040 628 HA GLU 93 HA GLU 93 -4.814 -6.644 -23.003 629 HB2 GLU 93 2HB GLU 93 -2.153 -7.873 -22.464 630 HB3 GLU 93 3HB GLU 93 -3.529 -8.446 -21.533 631 HG2 GLU 93 2HG GLU 93 -3.874 -8.257 -24.463 632 HG3 GLU 93 3HG GLU 93 -2.804 -9.518 -23.855 633 H MET 94 H MET 94 -5.503 -7.365 -20.765 634 HA MET 94 HA MET 94 -4.838 -5.226 -18.868 635 HB2 MET 94 2HB MET 94 -7.285 -6.167 -19.753 636 HB3 MET 94 3HB MET 94 -7.110 -6.922 -18.175 637 HG2 MET 94 2HG MET 94 -6.865 -4.802 -17.109 638 HG3 MET 94 3HG MET 94 -6.782 -3.974 -18.662 639 HE1 MET 94 1HE MET 94 -10.109 -5.053 -16.047 640 HE2 MET 94 2HE MET 94 -8.414 -4.627 -15.807 641 HE3 MET 94 3HE MET 94 -9.600 -3.368 -16.157 642 H LYS 95 H LYS 95 -4.645 -5.741 -16.604 643 HA LYS 95 HA LYS 95 -2.943 -7.940 -16.114 644 HB2 LYS 95 2HB LYS 95 -3.148 -7.279 -13.728 645 HB3 LYS 95 3HB LYS 95 -2.749 -5.934 -14.787 646 HG2 LYS 95 2HG LYS 95 -5.132 -5.271 -14.773 647 HG3 LYS 95 3HG LYS 95 -5.448 -6.562 -13.610 648 HD2 LYS 95 2HD LYS 95 -3.880 -5.528 -12.040 649 HD3 LYS 95 3HD LYS 95 -3.561 -4.240 -13.204 650 HE2 LYS 95 2HE LYS 95 -5.439 -3.146 -12.669 651 HE3 LYS 95 3HE LYS 95 -6.400 -4.624 -12.657 652 HZ1 LYS 95 1HZ LYS 95 -4.621 -4.520 -10.438 653 HZ2 LYS 95 2HZ LYS 95 -6.301 -4.711 -10.456 654 HZ3 LYS 95 3HZ LYS 95 -5.626 -3.160 -10.472 655 H THR 96 H THR 96 -6.380 -7.409 -15.576 656 HA THR 96 HA THR 96 -6.942 -9.594 -13.941 657 HB THR 96 HB THR 96 -8.778 -8.548 -16.100 658 HG1 THR 96 HG1 THR 96 -9.461 -7.064 -14.457 659 HG21 THR 96 1HG2 THR 96 -9.195 -10.010 -13.502 660 HG22 THR 96 2HG2 THR 96 -9.728 -10.472 -15.119 661 HG23 THR 96 3HG2 THR 96 -10.489 -9.112 -14.295 662 H THR 97 H THR 97 -6.992 -9.375 -17.492 663 HA THR 97 HA THR 97 -7.819 -11.960 -18.065 664 HB THR 97 HB THR 97 -5.777 -10.441 -19.690 665 HG1 THR 97 HG1 THR 97 -7.570 -9.432 -20.665 666 HG21 THR 97 1HG2 THR 97 -5.985 -12.449 -20.773 667 HG22 THR 97 2HG2 THR 97 -7.339 -11.584 -21.500 668 HG23 THR 97 3HG2 THR 97 -7.624 -12.722 -20.183 669 H TYR 98 H TYR 98 -4.469 -10.757 -17.835 670 HA TYR 98 HA TYR 98 -3.164 -13.170 -18.255 671 HB2 TYR 98 2HB TYR 98 -2.472 -10.582 -17.005 672 HB3 TYR 98 3HB TYR 98 -1.467 -11.948 -16.531 673 HD1 TYR 98 HD1 TYR 98 -3.016 -10.892 -19.770 674 HD2 TYR 98 HD2 TYR 98 0.538 -11.911 -17.665 675 HE1 TYR 98 HE1 TYR 98 -1.723 -10.654 -21.849 676 HE2 TYR 98 HE2 TYR 98 1.841 -11.675 -19.737 677 HH TYR 98 HH TYR 98 1.178 -11.881 -22.360 678 H LEU 99 H LEU 99 -4.145 -11.699 -15.167 679 HA LEU 99 HA LEU 99 -3.188 -13.626 -13.433 680 HB2 LEU 99 2HB LEU 99 -4.114 -11.528 -12.666 681 HB3 LEU 99 3HB LEU 99 -5.714 -11.993 -13.240 682 HG LEU 99 HG LEU 99 -5.360 -13.983 -11.534 683 HD11 LEU 99 1HD1 LEU 99 -3.052 -12.508 -11.075 684 HD12 LEU 99 2HD1 LEU 99 -3.716 -13.783 -10.053 685 HD13 LEU 99 3HD1 LEU 99 -4.120 -12.096 -9.733 686 HD21 LEU 99 1HD2 LEU 99 -6.037 -11.236 -10.508 687 HD22 LEU 99 2HD2 LEU 99 -6.678 -12.790 -9.972 688 HD23 LEU 99 3HD2 LEU 99 -7.107 -12.161 -11.563 689 H GLU 100 H GLU 100 -6.284 -13.549 -15.159 690 HA GLU 100 HA GLU 100 -7.359 -15.888 -14.018 691 HB2 GLU 100 2HB GLU 100 -8.768 -14.304 -15.198 692 HB3 GLU 100 3HB GLU 100 -7.892 -14.593 -16.695 693 HG2 GLU 100 2HG GLU 100 -8.828 -16.693 -16.989 694 HG3 GLU 100 3HG GLU 100 -9.286 -16.834 -15.293 695 H ARG 101 H ARG 101 -5.405 -15.352 -16.917 696 HA ARG 101 HA ARG 101 -5.520 -17.928 -17.983 697 HB2 ARG 101 2HB ARG 101 -3.335 -15.846 -18.096 698 HB3 ARG 101 3HB ARG 101 -3.303 -17.335 -19.031 699 HG2 ARG 101 2HG ARG 101 -5.420 -15.201 -19.208 700 HG3 ARG 101 3HG ARG 101 -4.098 -15.444 -20.352 701 HD2 ARG 101 2HD ARG 101 -5.021 -17.829 -20.593 702 HD3 ARG 101 3HD ARG 101 -6.472 -17.199 -19.815 703 HE ARG 101 HE ARG 101 -5.952 -15.462 -21.870 704 HH11 ARG 101 1HH1 ARG 101 -6.520 -18.885 -21.582 705 HH12 ARG 101 2HH1 ARG 101 -7.241 -19.029 -23.150 706 HH21 ARG 101 1HH2 ARG 101 -6.899 -15.639 -23.937 707 HH22 ARG 101 2HH2 ARG 101 -7.456 -17.183 -24.490 708 H LYS 102 H LYS 102 -2.922 -16.531 -15.972 709 HA LYS 102 HA LYS 102 -1.476 -18.883 -15.602 710 HB2 LYS 102 2HB LYS 102 -0.527 -17.755 -13.597 711 HB3 LYS 102 3HB LYS 102 -0.514 -16.746 -15.038 712 HG2 LYS 102 2HG LYS 102 -2.548 -15.613 -14.225 713 HG3 LYS 102 3HG LYS 102 -2.467 -16.581 -12.752 714 HD2 LYS 102 2HD LYS 102 -0.306 -14.709 -13.717 715 HD3 LYS 102 3HD LYS 102 -1.497 -14.325 -12.472 716 HE2 LYS 102 2HE LYS 102 -0.297 -16.806 -11.798 717 HE3 LYS 102 3HE LYS 102 0.994 -15.676 -12.204 718 HZ1 LYS 102 1HZ LYS 102 0.406 -15.598 -9.850 719 HZ2 LYS 102 2HZ LYS 102 -1.178 -15.156 -10.245 720 HZ3 LYS 102 3HZ LYS 102 0.106 -14.116 -10.607 721 H ALA 103 H ALA 103 -4.167 -17.545 -13.743 722 HA ALA 103 HA ALA 103 -4.131 -19.308 -11.584 723 HB1 ALA 103 1HB ALA 103 -6.543 -18.047 -12.884 724 HB2 ALA 103 2HB ALA 103 -6.466 -18.713 -11.252 725 HB3 ALA 103 3HB ALA 103 -5.515 -17.287 -11.669 726 H GLU 104 H GLU 104 -5.792 -19.592 -14.712 727 HA GLU 104 HA GLU 104 -7.008 -22.089 -14.143 728 HB2 GLU 104 2HB GLU 104 -6.818 -20.271 -16.394 729 HB3 GLU 104 3HB GLU 104 -6.700 -21.946 -16.914 730 HG2 GLU 104 2HG GLU 104 -8.804 -21.815 -15.046 731 HG3 GLU 104 3HG GLU 104 -9.005 -20.457 -16.152 732 H GLU 105 H GLU 105 -3.937 -21.155 -15.577 733 HA GLU 105 HA GLU 105 -3.171 -23.639 -16.616 734 HB2 GLU 105 2HB GLU 105 -1.986 -21.571 -17.150 735 HB3 GLU 105 3HB GLU 105 -1.449 -21.428 -15.483 736 HG2 GLU 105 2HG GLU 105 0.286 -22.760 -15.836 737 HG3 GLU 105 3HG GLU 105 -0.720 -23.985 -16.607 738 H ILE 106 H ILE 106 -2.249 -22.166 -13.500 739 HA ILE 106 HA ILE 106 -0.924 -24.417 -12.483 740 HB ILE 106 HB ILE 106 -0.632 -22.212 -11.494 741 HG12 ILE 106 2HG1 ILE 106 -0.772 -22.849 -9.121 742 HG13 ILE 106 3HG1 ILE 106 -1.851 -24.175 -9.538 743 HG21 ILE 106 1HG2 ILE 106 -2.947 -21.430 -11.781 744 HG22 ILE 106 2HG2 ILE 106 -3.455 -22.500 -10.476 745 HG23 ILE 106 3HG2 ILE 106 -2.351 -21.166 -10.143 746 HD11 ILE 106 1HD1 ILE 106 0.868 -24.002 -10.758 747 HD12 ILE 106 2HD1 ILE 106 0.645 -24.658 -9.136 748 HD13 ILE 106 3HD1 ILE 106 -0.162 -25.412 -10.511 749 H ALA 107 H ALA 107 -4.306 -23.473 -12.415 750 HA ALA 107 HA ALA 107 -5.280 -25.203 -10.474 751 HB1 ALA 107 1HB ALA 107 -6.417 -23.797 -12.803 752 HB2 ALA 107 2HB ALA 107 -7.340 -25.177 -12.205 753 HB3 ALA 107 3HB ALA 107 -6.955 -23.838 -11.124 754 H ALA 108 H ALA 108 -4.514 -25.811 -13.860 755 HA ALA 108 HA ALA 108 -5.647 -28.400 -14.007 756 HB1 ALA 108 1HB ALA 108 -5.271 -27.505 -16.088 757 HB2 ALA 108 2HB ALA 108 -3.688 -26.863 -15.647 758 HB3 ALA 108 3HB ALA 108 -3.889 -28.591 -15.935 759 H LYS 109 H LYS 109 -2.388 -27.243 -13.243 760 HA LYS 109 HA LYS 109 -1.180 -29.789 -13.049 761 HB2 LYS 109 2HB LYS 109 -0.440 -27.135 -11.809 762 HB3 LYS 109 3HB LYS 109 0.573 -28.570 -11.725 763 HG2 LYS 109 2HG LYS 109 -0.074 -28.223 -14.435 764 HG3 LYS 109 3HG LYS 109 0.353 -26.628 -13.811 765 HD2 LYS 109 2HD LYS 109 2.060 -29.017 -13.210 766 HD3 LYS 109 3HD LYS 109 2.225 -28.153 -14.740 767 HE2 LYS 109 2HE LYS 109 2.152 -26.370 -12.443 768 HE3 LYS 109 3HE LYS 109 3.479 -27.527 -12.360 769 HZ1 LYS 109 1HZ LYS 109 4.017 -25.411 -13.519 770 HZ2 LYS 109 2HZ LYS 109 2.921 -25.839 -14.734 771 HZ3 LYS 109 3HZ LYS 109 4.288 -26.795 -14.455 772 H LYS 110 H LYS 110 -2.297 -27.570 -10.489 773 HA LYS 110 HA LYS 110 -2.135 -29.716 -8.532 774 HB2 LYS 110 2HB LYS 110 -3.054 -26.865 -8.132 775 HB3 LYS 110 3HB LYS 110 -2.606 -28.016 -6.880 776 HG2 LYS 110 2HG LYS 110 -0.302 -28.027 -7.756 777 HG3 LYS 110 3HG LYS 110 -0.772 -26.803 -8.938 778 HD2 LYS 110 2HD LYS 110 -0.217 -25.278 -7.409 779 HD3 LYS 110 3HD LYS 110 -1.651 -25.782 -6.512 780 HE2 LYS 110 2HE LYS 110 0.940 -27.254 -6.208 781 HE3 LYS 110 3HE LYS 110 0.649 -25.759 -5.319 782 HZ1 LYS 110 1HZ LYS 110 -0.362 -27.024 -3.820 783 HZ2 LYS 110 2HZ LYS 110 -0.368 -28.379 -4.831 784 HZ3 LYS 110 3HZ LYS 110 -1.616 -27.242 -4.935 Start of MODEL 9 1 H1 THR 12 H THR 12 0.362 2.235 0.342 2 HA THR 12 HA THR 12 1.369 2.328 -1.808 3 HB THR 12 HB THR 12 2.258 -0.097 -2.146 4 HG1 THR 12 HG1 THR 12 0.589 -1.065 -0.847 5 HG21 THR 12 1HG2 THR 12 2.841 1.938 -0.133 6 HG22 THR 12 2HG2 THR 12 3.934 1.060 -1.204 7 HG23 THR 12 3HG2 THR 12 3.409 0.330 0.313 8 H ASP 13 H ASP 13 1.222 1.948 -3.993 9 HA ASP 13 HA ASP 13 -0.894 0.141 -4.926 10 HB2 ASP 13 2HB ASP 13 -0.546 2.884 -6.121 11 HB3 ASP 13 3HB ASP 13 -1.888 1.763 -6.328 12 H HIS 14 H HIS 14 -0.418 -0.964 -6.751 13 HA HIS 14 HA HIS 14 2.059 -0.234 -8.170 14 HB2 HIS 14 2HB HIS 14 2.541 -2.618 -8.460 15 HB3 HIS 14 3HB HIS 14 2.433 -2.206 -6.752 16 HD1 HIS 14 HD1 HIS 14 1.282 -4.637 -9.117 17 HD2 HIS 14 HD2 HIS 14 -0.283 -2.889 -5.688 18 HE1 HIS 14 HE1 HIS 14 -0.566 -6.168 -8.365 19 H GLN 15 H GLN 15 1.946 -0.136 -10.336 20 HA GLN 15 HA GLN 15 -0.421 -1.270 -11.661 21 HB2 GLN 15 2HB GLN 15 -0.454 0.751 -13.135 22 HB3 GLN 15 3HB GLN 15 -0.881 1.073 -11.459 23 HG2 GLN 15 2HG GLN 15 1.955 1.389 -11.917 24 HG3 GLN 15 3HG GLN 15 0.998 2.412 -12.987 25 HE21 GLN 15 1HE2 GLN 15 2.659 2.628 -10.331 26 HE22 GLN 15 2HE2 GLN 15 1.698 3.714 -9.392 27 H THR 16 H THR 16 -0.006 -2.402 -13.456 28 HA THR 16 HA THR 16 2.423 -1.923 -14.982 29 HB THR 16 HB THR 16 2.009 -4.785 -14.354 30 HG1 THR 16 HG1 THR 16 1.864 -4.050 -12.267 31 HG21 THR 16 1HG2 THR 16 4.099 -3.002 -15.288 32 HG22 THR 16 2HG2 THR 16 3.951 -4.751 -15.460 33 HG23 THR 16 3HG2 THR 16 4.668 -4.065 -14.003 34 H VAL 17 H VAL 17 2.026 -2.123 -17.090 35 HA VAL 17 HA VAL 17 -0.362 -3.642 -17.914 36 HB VAL 17 HB VAL 17 0.873 -1.311 -19.381 37 HG11 VAL 17 1HG1 VAL 17 -0.301 -2.360 -21.020 38 HG12 VAL 17 2HG1 VAL 17 -1.404 -3.139 -19.884 39 HG13 VAL 17 3HG1 VAL 17 -1.621 -1.439 -20.301 40 HG21 VAL 17 1HG2 VAL 17 -0.025 -0.081 -17.729 41 HG22 VAL 17 2HG2 VAL 17 -1.556 -0.434 -18.530 42 HG23 VAL 17 3HG2 VAL 17 -1.036 -1.408 -17.155 43 H TYR 18 H TYR 18 -0.257 -4.898 -19.789 44 HA TYR 18 HA TYR 18 2.479 -5.548 -20.660 45 HB2 TYR 18 2HB TYR 18 0.066 -7.349 -20.871 46 HB3 TYR 18 3HB TYR 18 1.759 -7.789 -21.068 47 HD1 TYR 18 HD1 TYR 18 3.212 -8.050 -19.123 48 HD2 TYR 18 HD2 TYR 18 -0.908 -7.086 -18.673 49 HE1 TYR 18 HE1 TYR 18 3.337 -8.655 -16.742 50 HE2 TYR 18 HE2 TYR 18 -0.794 -7.688 -16.291 51 HH TYR 18 HH TYR 18 1.010 -9.438 -14.920 52 H VAL 19 H VAL 19 3.013 -5.302 -22.737 53 HA VAL 19 HA VAL 19 0.856 -4.943 -24.710 54 HB VAL 19 HB VAL 19 3.414 -3.338 -24.644 55 HG11 VAL 19 1HG1 VAL 19 1.161 -3.589 -26.557 56 HG12 VAL 19 2HG1 VAL 19 1.840 -1.981 -26.298 57 HG13 VAL 19 3HG1 VAL 19 2.875 -3.297 -26.855 58 HG21 VAL 19 1HG2 VAL 19 1.612 -1.463 -24.282 59 HG22 VAL 19 2HG2 VAL 19 0.679 -2.791 -23.594 60 HG23 VAL 19 3HG2 VAL 19 2.252 -2.375 -22.914 61 H LYS 20 H LYS 20 1.284 -5.656 -26.805 62 HA LYS 20 HA LYS 20 2.768 -7.960 -27.115 63 HB2 LYS 20 2HB LYS 20 2.639 -7.407 -29.615 64 HB3 LYS 20 3HB LYS 20 1.122 -7.551 -28.738 65 HG2 LYS 20 2HG LYS 20 0.710 -5.278 -28.811 66 HG3 LYS 20 3HG LYS 20 2.408 -4.877 -29.077 67 HD2 LYS 20 2HD LYS 20 0.859 -6.440 -31.113 68 HD3 LYS 20 3HD LYS 20 0.757 -4.679 -31.055 69 HE2 LYS 20 2HE LYS 20 3.497 -5.433 -30.894 70 HE3 LYS 20 3HE LYS 20 2.760 -6.298 -32.243 71 HZ1 LYS 20 1HZ LYS 20 2.806 -3.364 -31.807 72 HZ2 LYS 20 2HZ LYS 20 1.881 -4.118 -33.006 73 HZ3 LYS 20 3HZ LYS 20 3.569 -4.228 -33.045 74 HA PRO 21 HA PRO 21 6.978 -6.839 -27.643 75 HB2 PRO 21 2HB PRO 21 7.796 -8.629 -29.513 76 HB3 PRO 21 3HB PRO 21 7.437 -9.081 -27.842 77 HG2 PRO 21 2HG PRO 21 5.728 -9.349 -30.285 78 HG3 PRO 21 3HG PRO 21 5.986 -10.508 -28.968 79 HD2 PRO 21 2HD PRO 21 3.783 -8.940 -29.118 80 HD3 PRO 21 3HD PRO 21 4.493 -9.445 -27.570 81 H VAL 22 H VAL 22 8.580 -6.042 -29.179 82 HA VAL 22 HA VAL 22 7.306 -4.737 -31.490 83 HB VAL 22 HB VAL 22 9.312 -3.175 -31.354 84 HG11 VAL 22 1HG1 VAL 22 8.236 -2.248 -29.031 85 HG12 VAL 22 2HG1 VAL 22 7.541 -2.000 -30.634 86 HG13 VAL 22 3HG1 VAL 22 6.959 -3.315 -29.612 87 HG21 VAL 22 1HG2 VAL 22 10.535 -3.048 -29.303 88 HG22 VAL 22 2HG2 VAL 22 9.544 -4.311 -28.571 89 HG23 VAL 22 3HG2 VAL 22 10.642 -4.707 -29.893 90 HA PRO 23 HA PRO 23 9.880 -6.871 -34.334 91 HB2 PRO 23 2HB PRO 23 10.280 -4.967 -36.227 92 HB3 PRO 23 3HB PRO 23 8.732 -5.790 -36.005 93 HG2 PRO 23 2HG PRO 23 9.599 -3.094 -35.036 94 HG3 PRO 23 3HG PRO 23 8.054 -3.580 -35.758 95 HD2 PRO 23 2HD PRO 23 8.379 -3.267 -33.088 96 HD3 PRO 23 3HD PRO 23 7.263 -4.460 -33.781 97 HA PRO 24 HA PRO 24 14.153 -6.020 -33.741 98 HB2 PRO 24 2HB PRO 24 15.242 -6.711 -36.130 99 HB3 PRO 24 3HB PRO 24 14.612 -7.898 -34.982 100 HG2 PRO 24 2HG PRO 24 13.317 -6.757 -37.428 101 HG3 PRO 24 3HG PRO 24 13.346 -8.436 -36.857 102 HD2 PRO 24 2HD PRO 24 11.215 -6.806 -36.487 103 HD3 PRO 24 3HD PRO 24 11.658 -8.076 -35.328 104 H THR 25 H THR 25 12.464 -4.406 -36.286 105 HA THR 25 HA THR 25 14.654 -2.618 -36.924 106 HB THR 25 HB THR 25 12.393 -1.493 -38.038 107 HG1 THR 25 HG1 THR 25 11.482 -3.528 -39.027 108 HG21 THR 25 1HG2 THR 25 14.674 -3.092 -38.908 109 HG22 THR 25 2HG2 THR 25 13.961 -1.651 -39.633 110 HG23 THR 25 3HG2 THR 25 13.277 -3.240 -39.974 111 H ALA 26 H ALA 26 11.663 -2.565 -35.074 112 HA ALA 26 HA ALA 26 11.461 0.176 -34.594 113 HB1 ALA 26 1HB ALA 26 10.293 -0.589 -32.444 114 HB2 ALA 26 2HB ALA 26 9.607 -1.105 -33.985 115 HB3 ALA 26 3HB ALA 26 10.578 -2.227 -33.033 116 H THR 27 H THR 27 13.145 1.365 -33.933 117 HA THR 27 HA THR 27 15.056 0.346 -32.016 118 HB THR 27 HB THR 27 16.259 2.418 -32.334 119 HG1 THR 27 HG1 THR 27 15.322 4.181 -33.101 120 HG21 THR 27 1HG2 THR 27 16.732 2.287 -34.688 121 HG22 THR 27 2HG2 THR 27 15.164 1.543 -35.008 122 HG23 THR 27 3HG2 THR 27 16.392 0.659 -34.101 123 H LEU 28 H LEU 28 15.731 1.923 -30.212 124 HA LEU 28 HA LEU 28 13.571 2.167 -28.409 125 HB2 LEU 28 2HB LEU 28 16.090 1.872 -27.950 126 HB3 LEU 28 3HB LEU 28 16.172 3.626 -28.100 127 HG LEU 28 HG LEU 28 14.232 2.413 -26.180 128 HD11 LEU 28 1HD1 LEU 28 16.995 3.038 -25.264 129 HD12 LEU 28 2HD1 LEU 28 16.669 1.463 -25.987 130 HD13 LEU 28 3HD1 LEU 28 15.781 1.975 -24.552 131 HD21 LEU 28 1HD2 LEU 28 15.757 4.988 -26.432 132 HD22 LEU 28 2HD2 LEU 28 14.974 4.510 -24.926 133 HD23 LEU 28 3HD2 LEU 28 14.012 4.737 -26.387 134 H GLU 29 H GLU 29 15.334 4.530 -30.363 135 HA GLU 29 HA GLU 29 14.130 6.844 -29.322 136 HB2 GLU 29 2HB GLU 29 16.111 6.388 -31.104 137 HB3 GLU 29 3HB GLU 29 14.815 6.844 -32.200 138 HG2 GLU 29 2HG GLU 29 14.916 8.993 -31.617 139 HG3 GLU 29 3HG GLU 29 15.072 8.619 -29.902 140 H GLN 30 H GLN 30 13.180 4.682 -31.946 141 HA GLN 30 HA GLN 30 11.021 6.239 -32.894 142 HB2 GLN 30 2HB GLN 30 12.173 3.660 -33.438 143 HB3 GLN 30 3HB GLN 30 10.422 3.521 -33.354 144 HG2 GLN 30 2HG GLN 30 10.107 4.658 -35.259 145 HG3 GLN 30 3HG GLN 30 11.405 5.801 -34.914 146 HE21 GLN 30 1HE2 GLN 30 12.207 5.684 -37.003 147 HE22 GLN 30 2HE2 GLN 30 13.059 4.300 -37.589 148 H LEU 31 H LEU 31 11.165 3.521 -30.611 149 HA LEU 31 HA LEU 31 8.428 3.313 -30.097 150 HB2 LEU 31 2HB LEU 31 10.917 2.468 -28.778 151 HB3 LEU 31 3HB LEU 31 9.517 2.611 -27.717 152 HG LEU 31 HG LEU 31 9.430 0.985 -30.242 153 HD11 LEU 31 1HD1 LEU 31 11.035 -0.278 -29.289 154 HD12 LEU 31 2HD1 LEU 31 9.686 -0.882 -28.328 155 HD13 LEU 31 3HD1 LEU 31 10.743 0.370 -27.675 156 HD21 LEU 31 1HD2 LEU 31 7.340 1.705 -28.998 157 HD22 LEU 31 2HD2 LEU 31 7.880 0.656 -27.687 158 HD23 LEU 31 3HD2 LEU 31 7.534 -0.026 -29.277 159 H THR 32 H THR 32 10.899 4.992 -28.146 160 HA THR 32 HA THR 32 9.202 6.159 -26.293 161 HB THR 32 HB THR 32 11.647 7.570 -27.346 162 HG1 THR 32 HG1 THR 32 11.437 5.206 -25.811 163 HG21 THR 32 1HG2 THR 32 9.997 8.440 -25.486 164 HG22 THR 32 2HG2 THR 32 11.742 8.617 -25.301 165 HG23 THR 32 3HG2 THR 32 10.895 7.311 -24.472 166 H GLU 33 H GLU 33 10.306 7.459 -29.412 167 HA GLU 33 HA GLU 33 9.128 9.961 -29.296 168 HB2 GLU 33 2HB GLU 33 10.670 9.203 -31.080 169 HB3 GLU 33 3HB GLU 33 9.386 8.201 -31.740 170 HG2 GLU 33 2HG GLU 33 8.059 10.160 -32.229 171 HG3 GLU 33 3HG GLU 33 9.273 11.197 -31.482 172 H PHE 34 H PHE 34 7.738 7.016 -30.751 173 HA PHE 34 HA PHE 34 5.247 8.052 -31.399 174 HB2 PHE 34 2HB PHE 34 6.420 5.395 -31.078 175 HB3 PHE 34 3HB PHE 34 4.702 5.432 -30.694 176 HD1 PHE 34 HD1 PHE 34 3.196 6.665 -32.447 177 HD2 PHE 34 HD2 PHE 34 7.068 5.097 -33.263 178 HE1 PHE 34 HE1 PHE 34 2.657 6.591 -34.847 179 HE2 PHE 34 HE2 PHE 34 6.536 5.022 -35.664 180 HZ PHE 34 HZ PHE 34 4.328 5.770 -36.459 181 H PHE 35 H PHE 35 6.315 6.517 -28.386 182 HA PHE 35 HA PHE 35 3.894 6.458 -27.034 183 HB2 PHE 35 2HB PHE 35 6.743 6.438 -26.273 184 HB3 PHE 35 3HB PHE 35 5.641 6.980 -25.012 185 HD1 PHE 35 HD1 PHE 35 3.483 5.440 -24.756 186 HD2 PHE 35 HD2 PHE 35 7.217 4.201 -26.379 187 HE1 PHE 35 HE1 PHE 35 2.931 3.101 -24.230 188 HE2 PHE 35 HE2 PHE 35 6.671 1.859 -25.857 189 HZ PHE 35 HZ PHE 35 4.525 1.307 -24.782 190 H SER 36 H SER 36 6.411 8.970 -26.720 191 HA SER 36 HA SER 36 4.933 10.749 -25.179 192 HB2 SER 36 2HB SER 36 7.068 11.405 -27.224 193 HB3 SER 36 3HB SER 36 6.521 12.472 -25.930 194 HG SER 36 HG SER 36 7.892 11.496 -24.692 195 H LYS 37 H LYS 37 5.069 10.348 -28.675 196 HA LYS 37 HA LYS 37 3.657 12.654 -29.414 197 HB2 LYS 37 2HB LYS 37 4.837 10.571 -30.753 198 HB3 LYS 37 3HB LYS 37 3.130 10.282 -31.063 199 HG2 LYS 37 2HG LYS 37 3.490 13.014 -31.484 200 HG3 LYS 37 3HG LYS 37 4.899 12.239 -32.211 201 HD2 LYS 37 2HD LYS 37 2.166 11.142 -32.726 202 HD3 LYS 37 3HD LYS 37 2.723 12.564 -33.612 203 HE2 LYS 37 2HE LYS 37 4.864 10.852 -33.793 204 HE3 LYS 37 3HE LYS 37 3.484 9.758 -33.886 205 HZ1 LYS 37 1HZ LYS 37 4.432 10.885 -36.019 206 HZ2 LYS 37 2HZ LYS 37 3.475 12.190 -35.528 207 HZ3 LYS 37 3HZ LYS 37 2.762 10.687 -35.830 208 H HIS 38 H HIS 38 2.556 9.474 -28.389 209 HA HIS 38 HA HIS 38 -0.113 10.572 -27.972 210 HB2 HIS 38 2HB HIS 38 0.207 9.295 -30.272 211 HB3 HIS 38 3HB HIS 38 0.022 7.875 -29.247 212 HD1 HIS 38 HD1 HIS 38 -2.306 7.078 -29.284 213 HD2 HIS 38 HD2 HIS 38 -2.104 11.220 -29.533 214 HE1 HIS 38 HE1 HIS 38 -4.692 7.862 -29.398 215 H GLY 39 H GLY 39 -0.471 10.222 -25.883 216 HA2 GLY 39 2HA GLY 39 -1.071 8.748 -24.118 217 HA3 GLY 39 3HA GLY 39 -0.032 7.521 -24.827 218 H THR 40 H THR 40 -0.216 8.730 -22.078 219 HA THR 40 HA THR 40 2.541 9.736 -21.851 220 HB THR 40 HB THR 40 0.280 10.012 -19.861 221 HG1 THR 40 HG1 THR 40 -0.110 11.905 -20.771 222 HG21 THR 40 1HG2 THR 40 2.254 10.079 -18.606 223 HG22 THR 40 2HG2 THR 40 1.912 11.777 -18.940 224 HG23 THR 40 3HG2 THR 40 3.140 10.924 -19.874 225 H VAL 41 H VAL 41 3.953 8.234 -21.257 226 HA VAL 41 HA VAL 41 3.100 6.198 -19.302 227 HB VAL 41 HB VAL 41 4.874 4.727 -20.317 228 HG11 VAL 41 1HG1 VAL 41 3.248 3.731 -21.479 229 HG12 VAL 41 2HG1 VAL 41 2.237 5.100 -21.013 230 HG13 VAL 41 3HG1 VAL 41 3.069 5.105 -22.569 231 HG21 VAL 41 1HG2 VAL 41 5.926 5.239 -22.304 232 HG22 VAL 41 2HG2 VAL 41 4.706 6.424 -22.770 233 HG23 VAL 41 3HG2 VAL 41 5.882 6.816 -21.516 234 H GLN 42 H GLN 42 4.485 5.706 -17.631 235 HA GLN 42 HA GLN 42 6.356 7.743 -16.898 236 HB2 GLN 42 2HB GLN 42 4.812 6.184 -15.420 237 HB3 GLN 42 3HB GLN 42 6.224 5.135 -15.450 238 HG2 GLN 42 2HG GLN 42 7.388 7.471 -14.801 239 HG3 GLN 42 3HG GLN 42 5.797 7.701 -14.079 240 HE21 GLN 42 1HE2 GLN 42 8.506 5.444 -14.244 241 HE22 GLN 42 2HE2 GLN 42 8.317 4.821 -12.644 242 H ALA 43 H ALA 43 6.720 4.229 -17.408 243 HA ALA 43 HA ALA 43 9.240 4.632 -18.755 244 HB1 ALA 43 1HB ALA 43 10.262 4.679 -16.688 245 HB2 ALA 43 2HB ALA 43 9.108 3.552 -15.973 246 HB3 ALA 43 3HB ALA 43 10.340 2.962 -17.089 247 H VAL 44 H VAL 44 10.239 2.443 -19.322 248 HA VAL 44 HA VAL 44 8.293 0.275 -19.477 249 HB VAL 44 HB VAL 44 7.860 1.571 -21.505 250 HG11 VAL 44 1HG1 VAL 44 10.628 0.976 -22.476 251 HG12 VAL 44 2HG1 VAL 44 9.466 2.161 -23.073 252 HG13 VAL 44 3HG1 VAL 44 10.299 2.435 -21.542 253 HG21 VAL 44 1HG2 VAL 44 7.670 -0.881 -21.554 254 HG22 VAL 44 2HG2 VAL 44 8.125 -0.219 -23.124 255 HG23 VAL 44 3HG2 VAL 44 9.342 -0.988 -22.106 256 H TRP 45 H TRP 45 9.203 -1.753 -19.749 257 HA TRP 45 HA TRP 45 11.986 -2.088 -20.370 258 HB2 TRP 45 2HB TRP 45 11.032 -2.136 -17.550 259 HB3 TRP 45 3HB TRP 45 12.203 -3.360 -18.034 260 HD1 TRP 45 HD1 TRP 45 12.202 -0.163 -16.445 261 HE1 TRP 45 HE1 TRP 45 14.420 1.102 -16.775 262 HE3 TRP 45 HE3 TRP 45 14.121 -2.889 -20.320 263 HZ2 TRP 45 HZ2 TRP 45 16.683 0.962 -18.457 264 HZ3 TRP 45 HZ3 TRP 45 16.317 -2.258 -21.232 265 HH2 TRP 45 HH2 TRP 45 17.570 -0.372 -20.319 266 H ARG 46 H ARG 46 12.629 -4.468 -19.998 267 HA ARG 46 HA ARG 46 10.491 -6.382 -19.922 268 HB2 ARG 46 2HB ARG 46 10.856 -7.256 -22.205 269 HB3 ARG 46 3HB ARG 46 10.199 -5.625 -22.206 270 HG2 ARG 46 2HG ARG 46 13.146 -5.947 -22.363 271 HG3 ARG 46 3HG ARG 46 12.181 -6.323 -23.791 272 HD2 ARG 46 2HD ARG 46 11.412 -3.825 -22.496 273 HD3 ARG 46 3HD ARG 46 13.081 -3.831 -23.065 274 HE ARG 46 HE ARG 46 10.702 -3.800 -24.674 275 HH11 ARG 46 1HH1 ARG 46 14.078 -4.644 -24.575 276 HH12 ARG 46 2HH1 ARG 46 14.287 -4.543 -26.292 277 HH21 ARG 46 1HH2 ARG 46 10.965 -3.663 -26.936 278 HH22 ARG 46 2HH2 ARG 46 12.516 -3.984 -27.634 279 H ARG 47 H ARG 47 11.219 -8.451 -19.552 280 HA ARG 47 HA ARG 47 14.046 -9.058 -19.847 281 HB2 ARG 47 2HB ARG 47 14.438 -9.593 -17.558 282 HB3 ARG 47 3HB ARG 47 13.753 -7.974 -17.594 283 HG2 ARG 47 2HG ARG 47 11.584 -9.743 -17.358 284 HG3 ARG 47 3HG ARG 47 12.819 -10.305 -16.230 285 HD2 ARG 47 2HD ARG 47 12.965 -7.737 -15.649 286 HD3 ARG 47 3HD ARG 47 11.323 -7.732 -16.292 287 HE ARG 47 HE ARG 47 11.262 -9.780 -14.545 288 HH11 ARG 47 1HH1 ARG 47 12.349 -6.483 -14.277 289 HH12 ARG 47 2HH1 ARG 47 11.971 -6.358 -12.591 290 HH21 ARG 47 1HH2 ARG 47 10.760 -9.628 -12.325 291 HH22 ARG 47 2HH2 ARG 47 11.068 -8.148 -11.482 292 H TYR 48 H TYR 48 14.525 -11.315 -19.620 293 HA TYR 48 HA TYR 48 12.248 -13.131 -19.420 294 HB2 TYR 48 2HB TYR 48 13.098 -14.318 -21.518 295 HB3 TYR 48 3HB TYR 48 12.227 -12.808 -21.758 296 HD1 TYR 48 HD1 TYR 48 15.430 -14.512 -22.065 297 HD2 TYR 48 HD2 TYR 48 13.434 -10.772 -22.428 298 HE1 TYR 48 HE1 TYR 48 17.332 -13.628 -23.350 299 HE2 TYR 48 HE2 TYR 48 15.330 -9.878 -23.716 300 HH TYR 48 HH TYR 48 17.715 -11.802 -25.051 301 H PHE 49 H PHE 49 12.767 -14.831 -18.220 302 HA PHE 49 HA PHE 49 15.533 -15.270 -17.482 303 HB2 PHE 49 2HB PHE 49 12.918 -15.893 -16.362 304 HB3 PHE 49 3HB PHE 49 14.017 -17.267 -16.281 305 HD1 PHE 49 HD1 PHE 49 16.291 -16.912 -15.211 306 HD2 PHE 49 HD2 PHE 49 13.083 -14.140 -14.838 307 HE1 PHE 49 HE1 PHE 49 17.373 -15.932 -13.231 308 HE2 PHE 49 HE2 PHE 49 14.160 -13.155 -12.858 309 HZ PHE 49 HZ PHE 49 16.308 -14.050 -12.052 310 H ALA 50 H ALA 50 16.831 -16.674 -18.447 311 HA ALA 50 HA ALA 50 15.857 -18.435 -20.491 312 HB1 ALA 50 1HB ALA 50 18.215 -17.169 -20.099 313 HB2 ALA 50 2HB ALA 50 18.621 -18.799 -19.558 314 HB3 ALA 50 3HB ALA 50 17.994 -18.541 -21.186 315 H GLY 51 H GLY 51 16.811 -18.747 -17.145 316 HA2 GLY 51 2HA GLY 51 16.218 -20.500 -15.715 317 HA3 GLY 51 3HA GLY 51 15.765 -21.460 -17.115 318 H LYS 52 H LYS 52 18.021 -21.064 -14.692 319 HA LYS 52 HA LYS 52 19.849 -22.923 -16.037 320 HB2 LYS 52 2HB LYS 52 20.728 -20.542 -16.074 321 HB3 LYS 52 3HB LYS 52 20.834 -20.644 -14.322 322 HG2 LYS 52 2HG LYS 52 22.830 -21.572 -14.507 323 HG3 LYS 52 3HG LYS 52 22.115 -22.932 -15.375 324 HD2 LYS 52 2HD LYS 52 22.506 -21.934 -17.472 325 HD3 LYS 52 3HD LYS 52 22.821 -20.354 -16.751 326 HE2 LYS 52 2HE LYS 52 24.958 -21.057 -17.216 327 HE3 LYS 52 3HE LYS 52 24.773 -21.626 -15.558 328 HZ1 LYS 52 1HZ LYS 52 25.641 -23.443 -16.673 329 HZ2 LYS 52 2HZ LYS 52 24.707 -23.186 -18.060 330 HZ3 LYS 52 3HZ LYS 52 23.984 -23.784 -16.653 331 H LYS 53 H LYS 53 17.990 -23.891 -14.408 332 HA LYS 53 HA LYS 53 19.550 -24.833 -12.147 333 HB2 LYS 53 2HB LYS 53 17.602 -24.463 -10.587 334 HB3 LYS 53 3HB LYS 53 18.462 -23.008 -11.076 335 HG2 LYS 53 2HG LYS 53 16.363 -23.459 -12.934 336 HG3 LYS 53 3HG LYS 53 15.702 -23.591 -11.302 337 HD2 LYS 53 2HD LYS 53 16.120 -21.406 -10.810 338 HD3 LYS 53 3HD LYS 53 17.547 -21.332 -11.847 339 HE2 LYS 53 2HE LYS 53 16.219 -21.121 -13.802 340 HE3 LYS 53 3HE LYS 53 14.745 -21.532 -12.927 341 HZ1 LYS 53 1HZ LYS 53 15.160 -19.451 -11.598 342 HZ2 LYS 53 2HZ LYS 53 14.714 -19.215 -13.212 343 HZ3 LYS 53 3HZ LYS 53 16.331 -19.038 -12.748 344 H ASP 54 H ASP 54 18.163 -26.533 -10.902 345 HA ASP 54 HA ASP 54 17.031 -28.302 -12.939 346 HB2 ASP 54 2HB ASP 54 18.862 -28.817 -11.005 347 HB3 ASP 54 3HB ASP 54 17.383 -29.305 -10.181 348 H ALA 55 H ALA 55 15.552 -26.024 -11.809 349 HA ALA 55 HA ALA 55 13.350 -27.486 -10.503 350 HB1 ALA 55 1HB ALA 55 14.685 -25.165 -9.670 351 HB2 ALA 55 2HB ALA 55 13.097 -24.640 -10.233 352 HB3 ALA 55 3HB ALA 55 13.225 -25.876 -8.981 353 HA PRO 56 HA PRO 56 10.636 -26.555 -13.822 354 HB2 PRO 56 2HB PRO 56 8.312 -25.994 -12.537 355 HB3 PRO 56 3HB PRO 56 8.980 -27.626 -12.643 356 HG2 PRO 56 2HG PRO 56 9.132 -25.661 -10.391 357 HG3 PRO 56 3HG PRO 56 8.817 -27.405 -10.334 358 HD2 PRO 56 2HD PRO 56 11.244 -26.344 -9.775 359 HD3 PRO 56 3HD PRO 56 11.050 -27.941 -10.524 360 HA PRO 57 HA PRO 57 10.277 -22.249 -14.637 361 HB2 PRO 57 2HB PRO 57 7.965 -22.096 -16.051 362 HB3 PRO 57 3HB PRO 57 9.448 -22.797 -16.708 363 HG2 PRO 57 2HG PRO 57 7.061 -24.171 -15.535 364 HG3 PRO 57 3HG PRO 57 7.994 -24.592 -16.982 365 HD2 PRO 57 2HD PRO 57 8.332 -25.857 -14.612 366 HD3 PRO 57 3HD PRO 57 9.662 -25.614 -15.763 367 H GLU 58 H GLU 58 9.992 -21.368 -12.568 368 HA GLU 58 HA GLU 58 7.302 -21.185 -11.476 369 HB2 GLU 58 2HB GLU 58 9.454 -21.606 -10.119 370 HB3 GLU 58 3HB GLU 58 9.756 -19.886 -10.320 371 HG2 GLU 58 2HG GLU 58 8.675 -19.822 -8.336 372 HG3 GLU 58 3HG GLU 58 7.278 -19.720 -9.406 373 H SER 59 H SER 59 9.798 -19.084 -12.824 374 HA SER 59 HA SER 59 8.159 -16.718 -12.492 375 HB2 SER 59 2HB SER 59 10.582 -16.634 -14.208 376 HB3 SER 59 3HB SER 59 10.043 -15.510 -12.961 377 HG SER 59 HG SER 59 10.573 -17.533 -11.569 378 H ARG 60 H ARG 60 7.855 -15.258 -14.423 379 HA ARG 60 HA ARG 60 6.889 -16.874 -16.681 380 HB2 ARG 60 2HB ARG 60 6.026 -14.189 -15.612 381 HB3 ARG 60 3HB ARG 60 5.498 -14.803 -17.173 382 HG2 ARG 60 2HG ARG 60 5.063 -16.250 -14.571 383 HG3 ARG 60 3HG ARG 60 3.886 -15.161 -15.308 384 HD2 ARG 60 2HD ARG 60 3.197 -16.742 -16.715 385 HD3 ARG 60 3HD ARG 60 4.849 -17.090 -17.222 386 HE ARG 60 HE ARG 60 4.842 -18.910 -15.842 387 HH11 ARG 60 1HH1 ARG 60 2.249 -16.782 -14.913 388 HH12 ARG 60 2HH1 ARG 60 1.577 -17.890 -13.764 389 HH21 ARG 60 1HH2 ARG 60 3.967 -20.378 -14.331 390 HH22 ARG 60 2HH2 ARG 60 2.555 -19.935 -13.433 391 H THR 61 H THR 61 8.193 -16.867 -18.382 392 HA THR 61 HA THR 61 9.693 -14.406 -18.999 393 HB THR 61 HB THR 61 11.280 -16.109 -18.528 394 HG1 THR 61 HG1 THR 61 11.129 -16.308 -21.341 395 HG21 THR 61 1HG2 THR 61 9.278 -17.844 -19.687 396 HG22 THR 61 2HG2 THR 61 10.631 -18.242 -18.629 397 HG23 THR 61 3HG2 THR 61 10.871 -18.161 -20.374 398 H LYS 62 H LYS 62 8.600 -13.338 -20.528 399 HA LYS 62 HA LYS 62 7.932 -14.781 -22.991 400 HB2 LYS 62 2HB LYS 62 5.849 -13.258 -23.098 401 HB3 LYS 62 3HB LYS 62 5.795 -14.676 -22.058 402 HG2 LYS 62 2HG LYS 62 6.746 -12.210 -20.771 403 HG3 LYS 62 3HG LYS 62 5.059 -12.198 -21.292 404 HD2 LYS 62 2HD LYS 62 6.165 -14.515 -19.746 405 HD3 LYS 62 3HD LYS 62 5.637 -13.050 -18.916 406 HE2 LYS 62 2HE LYS 62 3.616 -14.019 -18.912 407 HE3 LYS 62 3HE LYS 62 3.545 -13.524 -20.602 408 HZ1 LYS 62 1HZ LYS 62 4.923 -16.005 -20.250 409 HZ2 LYS 62 2HZ LYS 62 3.631 -15.627 -21.273 410 HZ3 LYS 62 3HZ LYS 62 3.336 -16.075 -19.669 411 HA PRO 63 HA PRO 63 9.772 -11.393 -25.086 412 HB2 PRO 63 2HB PRO 63 8.265 -11.244 -27.339 413 HB3 PRO 63 3HB PRO 63 9.420 -12.547 -27.041 414 HG2 PRO 63 2HG PRO 63 6.450 -12.529 -26.672 415 HG3 PRO 63 3HG PRO 63 7.483 -13.791 -27.369 416 HD2 PRO 63 2HD PRO 63 6.548 -13.910 -24.830 417 HD3 PRO 63 3HD PRO 63 8.120 -14.586 -25.301 418 H SER 64 H SER 64 6.438 -11.264 -24.206 419 HA SER 64 HA SER 64 5.627 -8.796 -25.154 420 HB2 SER 64 2HB SER 64 4.921 -9.691 -22.370 421 HB3 SER 64 3HB SER 64 3.910 -8.867 -23.557 422 HG SER 64 HG SER 64 3.864 -11.371 -23.111 423 H VAL 65 H VAL 65 5.552 -6.705 -24.197 424 HA VAL 65 HA VAL 65 7.891 -6.147 -22.503 425 HB VAL 65 HB VAL 65 7.638 -3.790 -23.319 426 HG11 VAL 65 1HG1 VAL 65 9.201 -5.491 -24.305 427 HG12 VAL 65 2HG1 VAL 65 7.994 -5.768 -25.563 428 HG13 VAL 65 3HG1 VAL 65 8.742 -4.179 -25.391 429 HG21 VAL 65 1HG2 VAL 65 5.177 -4.290 -23.995 430 HG22 VAL 65 2HG2 VAL 65 6.141 -3.186 -24.975 431 HG23 VAL 65 3HG2 VAL 65 5.896 -4.849 -25.506 432 H PHE 66 H PHE 66 7.722 -4.779 -20.720 433 HA PHE 66 HA PHE 66 4.988 -4.479 -19.680 434 HB2 PHE 66 2HB PHE 66 7.548 -4.420 -18.079 435 HB3 PHE 66 3HB PHE 66 5.904 -4.578 -17.469 436 HD1 PHE 66 HD1 PHE 66 8.805 -6.301 -18.667 437 HD2 PHE 66 HD2 PHE 66 4.617 -6.680 -18.004 438 HE1 PHE 66 HE1 PHE 66 9.017 -8.751 -18.748 439 HE2 PHE 66 HE2 PHE 66 4.823 -9.130 -18.082 440 HZ PHE 66 HZ PHE 66 7.025 -10.169 -18.454 441 H VAL 67 H VAL 67 4.171 -2.511 -19.382 442 HA VAL 67 HA VAL 67 6.023 -0.219 -19.317 443 HB VAL 67 HB VAL 67 4.359 1.115 -20.532 444 HG11 VAL 67 1HG1 VAL 67 5.694 -1.245 -21.681 445 HG12 VAL 67 2HG1 VAL 67 4.456 -0.499 -22.693 446 HG13 VAL 67 3HG1 VAL 67 5.821 0.459 -22.117 447 HG21 VAL 67 1HG2 VAL 67 2.649 -0.548 -21.785 448 HG22 VAL 67 2HG2 VAL 67 2.773 -1.353 -20.221 449 HG23 VAL 67 3HG2 VAL 67 2.252 0.330 -20.308 450 H VAL 68 H VAL 68 5.596 1.385 -17.863 451 HA VAL 68 HA VAL 68 3.278 0.966 -16.088 452 HB VAL 68 HB VAL 68 5.936 2.167 -15.304 453 HG11 VAL 68 1HG1 VAL 68 3.427 1.502 -13.792 454 HG12 VAL 68 2HG1 VAL 68 4.985 1.699 -12.987 455 HG13 VAL 68 3HG1 VAL 68 4.280 3.043 -13.886 456 HG21 VAL 68 1HG2 VAL 68 5.205 -0.567 -15.654 457 HG22 VAL 68 2HG2 VAL 68 6.731 0.105 -15.080 458 HG23 VAL 68 3HG2 VAL 68 5.440 -0.254 -13.934 459 H PHE 69 H PHE 69 1.820 2.525 -16.230 460 HA PHE 69 HA PHE 69 2.489 5.072 -17.427 461 HB2 PHE 69 2HB PHE 69 -0.128 3.971 -16.387 462 HB3 PHE 69 3HB PHE 69 0.048 5.527 -17.191 463 HD1 PHE 69 HD1 PHE 69 -0.070 5.677 -19.507 464 HD2 PHE 69 HD2 PHE 69 0.563 1.884 -17.682 465 HE1 PHE 69 HE1 PHE 69 -0.362 4.581 -21.691 466 HE2 PHE 69 HE2 PHE 69 0.274 0.783 -19.863 467 HZ PHE 69 HZ PHE 69 -0.189 2.131 -21.871 468 H ASN 70 H ASN 70 2.313 7.087 -16.445 469 HA ASN 70 HA ASN 70 2.783 7.069 -13.581 470 HB2 ASN 70 2HB ASN 70 4.085 8.443 -15.349 471 HB3 ASN 70 3HB ASN 70 2.704 9.534 -15.303 472 HD21 ASN 70 1HD2 ASN 70 4.748 10.829 -14.640 473 HD22 ASN 70 2HD2 ASN 70 4.983 10.990 -12.936 474 H SER 71 H SER 71 0.498 8.537 -15.868 475 HA SER 71 HA SER 71 -1.092 9.692 -13.765 476 HB2 SER 71 2HB SER 71 -2.415 9.466 -16.355 477 HB3 SER 71 3HB SER 71 -2.006 10.908 -15.424 478 HG SER 71 HG SER 71 -0.533 11.199 -16.886 479 H SER 72 H SER 72 -2.807 8.840 -12.764 480 HA SER 72 HA SER 72 -3.380 6.094 -12.934 481 HB2 SER 72 2HB SER 72 -5.585 7.047 -11.692 482 HB3 SER 72 3HB SER 72 -4.033 6.833 -10.882 483 HG SER 72 HG SER 72 -5.383 9.126 -11.485 484 H GLU 73 H GLU 73 -5.213 8.916 -14.088 485 HA GLU 73 HA GLU 73 -7.391 7.558 -15.165 486 HB2 GLU 73 2HB GLU 73 -6.895 10.120 -14.891 487 HB3 GLU 73 3HB GLU 73 -6.290 9.981 -16.536 488 HG2 GLU 73 2HG GLU 73 -8.829 8.695 -16.370 489 HG3 GLU 73 3HG GLU 73 -8.949 10.311 -15.674 490 H GLU 74 H GLU 74 -4.491 8.718 -16.891 491 HA GLU 74 HA GLU 74 -5.099 7.511 -19.346 492 HB2 GLU 74 2HB GLU 74 -3.326 9.296 -18.797 493 HB3 GLU 74 3HB GLU 74 -2.287 7.945 -18.368 494 HG2 GLU 74 2HG GLU 74 -1.663 8.104 -20.517 495 HG3 GLU 74 3HG GLU 74 -3.105 7.127 -20.784 496 H ALA 75 H ALA 75 -3.475 6.289 -16.488 497 HA ALA 75 HA ALA 75 -2.330 3.975 -17.572 498 HB1 ALA 75 1HB ALA 75 -3.376 4.467 -14.787 499 HB2 ALA 75 2HB ALA 75 -2.349 3.113 -15.261 500 HB3 ALA 75 3HB ALA 75 -1.737 4.764 -15.366 501 H GLU 76 H GLU 76 -5.454 4.356 -15.890 502 HA GLU 76 HA GLU 76 -6.313 1.705 -16.326 503 HB2 GLU 76 2HB GLU 76 -7.781 4.252 -15.672 504 HB3 GLU 76 3HB GLU 76 -8.624 2.724 -15.882 505 HG2 GLU 76 2HG GLU 76 -6.411 2.381 -14.095 506 HG3 GLU 76 3HG GLU 76 -7.425 3.719 -13.559 507 H ALA 77 H ALA 77 -6.737 4.681 -18.166 508 HA ALA 77 HA ALA 77 -8.644 3.814 -20.004 509 HB1 ALA 77 1HB ALA 77 -6.434 5.629 -20.862 510 HB2 ALA 77 2HB ALA 77 -8.159 5.709 -21.224 511 HB3 ALA 77 3HB ALA 77 -7.573 6.157 -19.622 512 H PHE 78 H PHE 78 -5.099 3.630 -20.169 513 HA PHE 78 HA PHE 78 -5.054 2.339 -22.706 514 HB2 PHE 78 2HB PHE 78 -3.060 2.979 -20.591 515 HB3 PHE 78 3HB PHE 78 -2.645 1.707 -21.736 516 HD1 PHE 78 HD1 PHE 78 -1.388 2.368 -23.525 517 HD2 PHE 78 HD2 PHE 78 -4.177 5.113 -21.850 518 HE1 PHE 78 HE1 PHE 78 -0.693 4.069 -25.162 519 HE2 PHE 78 HE2 PHE 78 -3.487 6.817 -23.484 520 HZ PHE 78 HZ PHE 78 -1.744 6.296 -25.144 521 H GLN 79 H GLN 79 -5.020 1.221 -19.369 522 HA GLN 79 HA GLN 79 -4.356 -1.455 -19.796 523 HB2 GLN 79 2HB GLN 79 -5.343 0.144 -17.639 524 HB3 GLN 79 3HB GLN 79 -6.275 -1.346 -17.709 525 HG2 GLN 79 2HG GLN 79 -4.366 -2.681 -17.410 526 HG3 GLN 79 3HG GLN 79 -3.277 -1.337 -17.749 527 HE21 GLN 79 1HE2 GLN 79 -3.281 -3.066 -15.455 528 HE22 GLN 79 2HE2 GLN 79 -3.537 -2.065 -14.071 529 H LYS 80 H LYS 80 -7.523 0.139 -19.809 530 HA LYS 80 HA LYS 80 -9.102 -2.141 -20.168 531 HB2 LYS 80 2HB LYS 80 -10.104 -0.028 -19.569 532 HB3 LYS 80 3HB LYS 80 -9.545 0.711 -21.064 533 HG2 LYS 80 2HG LYS 80 -11.008 -0.796 -22.337 534 HG3 LYS 80 3HG LYS 80 -11.593 -1.484 -20.821 535 HD2 LYS 80 2HD LYS 80 -13.166 0.095 -20.835 536 HD3 LYS 80 3HD LYS 80 -11.885 1.260 -20.496 537 HE2 LYS 80 2HE LYS 80 -11.844 2.038 -22.626 538 HE3 LYS 80 3HE LYS 80 -12.237 0.467 -23.322 539 HZ1 LYS 80 1HZ LYS 80 -14.269 1.275 -23.620 540 HZ2 LYS 80 2HZ LYS 80 -13.970 2.634 -22.658 541 HZ3 LYS 80 3HZ LYS 80 -14.484 1.189 -21.944 542 H ALA 81 H ALA 81 -8.350 0.244 -22.712 543 HA ALA 81 HA ALA 81 -8.173 -1.994 -24.622 544 HB1 ALA 81 1HB ALA 81 -9.043 0.543 -25.775 545 HB2 ALA 81 2HB ALA 81 -9.683 -1.085 -25.999 546 HB3 ALA 81 3HB ALA 81 -10.177 -0.128 -24.602 547 HA PRO 82 HA PRO 82 -4.321 -0.402 -25.994 548 HB2 PRO 82 2HB PRO 82 -4.434 -0.827 -28.673 549 HB3 PRO 82 3HB PRO 82 -4.249 -2.136 -27.500 550 HG2 PRO 82 2HG PRO 82 -6.715 -1.189 -28.908 551 HG3 PRO 82 3HG PRO 82 -6.169 -2.848 -28.603 552 HD2 PRO 82 2HD PRO 82 -8.069 -1.639 -27.099 553 HD3 PRO 82 3HD PRO 82 -6.940 -2.836 -26.431 554 HA PRO 83 HA PRO 83 -4.559 3.735 -27.464 555 HB2 PRO 83 2HB PRO 83 -2.303 3.974 -28.956 556 HB3 PRO 83 3HB PRO 83 -2.281 3.872 -27.192 557 HG2 PRO 83 2HG PRO 83 -1.779 1.728 -29.219 558 HG3 PRO 83 3HG PRO 83 -0.900 2.076 -27.719 559 HD2 PRO 83 2HD PRO 83 -2.733 0.092 -27.906 560 HD3 PRO 83 3HD PRO 83 -2.463 1.004 -26.407 561 H MET 84 H MET 84 -3.912 1.302 -29.947 562 HA MET 84 HA MET 84 -4.642 1.072 -32.087 563 HB2 MET 84 2HB MET 84 -6.746 2.496 -30.713 564 HB3 MET 84 3HB MET 84 -6.660 2.998 -32.396 565 HG2 MET 84 2HG MET 84 -6.442 0.182 -32.341 566 HG3 MET 84 3HG MET 84 -7.781 0.635 -31.289 567 HE1 MET 84 1HE MET 84 -9.223 -0.709 -32.593 568 HE2 MET 84 2HE MET 84 -10.096 -0.156 -34.022 569 HE3 MET 84 3HE MET 84 -8.583 -1.046 -34.202 570 H TYR 85 H TYR 85 -2.835 1.830 -33.138 571 HA TYR 85 HA TYR 85 -2.921 4.655 -33.975 572 HB2 TYR 85 2HB TYR 85 -0.897 3.401 -32.572 573 HB3 TYR 85 3HB TYR 85 -0.321 3.344 -34.234 574 HD1 TYR 85 HD1 TYR 85 0.258 5.072 -31.468 575 HD2 TYR 85 HD2 TYR 85 -1.217 5.836 -35.385 576 HE1 TYR 85 HE1 TYR 85 0.998 7.411 -31.285 577 HE2 TYR 85 HE2 TYR 85 -0.479 8.176 -35.213 578 HH TYR 85 HH TYR 85 0.062 9.817 -33.544 579 H ASP 86 H ASP 86 -3.187 5.001 -36.074 580 HA ASP 86 HA ASP 86 -3.670 3.033 -37.951 581 HB2 ASP 86 2HB ASP 86 -2.925 5.927 -38.159 582 HB3 ASP 86 3HB ASP 86 -3.021 4.952 -39.622 583 H ASP 87 H ASP 87 -0.648 4.779 -37.323 584 HA ASP 87 HA ASP 87 0.910 3.799 -39.380 585 HB2 ASP 87 2HB ASP 87 1.368 5.046 -36.803 586 HB3 ASP 87 3HB ASP 87 2.620 3.863 -37.170 587 H VAL 88 H VAL 88 0.862 2.465 -36.069 588 HA VAL 88 HA VAL 88 1.270 -0.207 -37.231 589 HB VAL 88 HB VAL 88 2.677 0.821 -34.763 590 HG11 VAL 88 1HG1 VAL 88 2.549 -1.420 -34.356 591 HG12 VAL 88 2HG1 VAL 88 2.452 -1.840 -36.067 592 HG13 VAL 88 3HG1 VAL 88 4.002 -1.392 -35.354 593 HG21 VAL 88 1HG2 VAL 88 4.729 0.459 -36.238 594 HG22 VAL 88 2HG2 VAL 88 3.606 0.457 -37.598 595 HG23 VAL 88 3HG2 VAL 88 3.741 1.882 -36.568 596 H GLN 89 H GLN 89 -0.006 -1.760 -36.420 597 HA GLN 89 HA GLN 89 -2.133 -1.092 -34.675 598 HB2 GLN 89 2HB GLN 89 -1.991 -2.924 -36.513 599 HB3 GLN 89 3HB GLN 89 -1.302 -3.920 -35.237 600 HG2 GLN 89 2HG GLN 89 -3.483 -2.988 -33.973 601 HG3 GLN 89 3HG GLN 89 -4.065 -2.993 -35.637 602 HE21 GLN 89 1HE2 GLN 89 -3.432 -5.081 -36.839 603 HE22 GLN 89 2HE2 GLN 89 -3.738 -6.549 -35.981 604 H LEU 90 H LEU 90 -2.133 -0.973 -32.537 605 HA LEU 90 HA LEU 90 0.037 -2.265 -31.046 606 HB2 LEU 90 2HB LEU 90 -1.330 0.248 -30.842 607 HB3 LEU 90 3HB LEU 90 -1.499 -0.646 -29.333 608 HG LEU 90 HG LEU 90 0.394 0.833 -29.186 609 HD11 LEU 90 1HD1 LEU 90 2.074 -0.715 -28.514 610 HD12 LEU 90 2HD1 LEU 90 1.434 -1.965 -29.580 611 HD13 LEU 90 3HD1 LEU 90 0.508 -1.450 -28.170 612 HD21 LEU 90 1HD2 LEU 90 1.233 -0.483 -31.753 613 HD22 LEU 90 2HD2 LEU 90 2.374 0.372 -30.715 614 HD23 LEU 90 3HD2 LEU 90 1.006 1.234 -31.420 615 H THR 91 H THR 91 -0.327 -3.774 -29.502 616 HA THR 91 HA THR 91 -3.128 -4.504 -28.952 617 HB THR 91 HB THR 91 -0.948 -6.568 -29.021 618 HG1 THR 91 HG1 THR 91 -2.482 -5.585 -31.209 619 HG21 THR 91 1HG2 THR 91 -3.273 -6.937 -28.016 620 HG22 THR 91 2HG2 THR 91 -2.709 -8.117 -29.199 621 HG23 THR 91 3HG2 THR 91 -3.866 -6.874 -29.675 622 H ALA 92 H ALA 92 -3.424 -3.817 -26.914 623 HA ALA 92 HA ALA 92 -1.389 -4.533 -24.906 624 HB1 ALA 92 1HB ALA 92 -1.647 -2.543 -23.908 625 HB2 ALA 92 2HB ALA 92 -2.352 -2.045 -25.446 626 HB3 ALA 92 3HB ALA 92 -3.398 -2.551 -24.120 627 H GLU 93 H GLU 93 -2.000 -5.578 -23.041 628 HA GLU 93 HA GLU 93 -4.771 -6.579 -22.990 629 HB2 GLU 93 2HB GLU 93 -2.155 -7.893 -22.525 630 HB3 GLU 93 3HB GLU 93 -3.469 -8.374 -21.461 631 HG2 GLU 93 2HG GLU 93 -3.792 -8.352 -24.439 632 HG3 GLU 93 3HG GLU 93 -3.087 -9.727 -23.591 633 H MET 94 H MET 94 -5.494 -7.252 -20.751 634 HA MET 94 HA MET 94 -4.752 -5.127 -18.865 635 HB2 MET 94 2HB MET 94 -7.197 -5.665 -19.750 636 HB3 MET 94 3HB MET 94 -7.155 -6.842 -18.445 637 HG2 MET 94 2HG MET 94 -6.646 -5.054 -16.855 638 HG3 MET 94 3HG MET 94 -6.710 -3.879 -18.167 639 HE1 MET 94 1HE MET 94 -9.514 -3.770 -15.450 640 HE2 MET 94 2HE MET 94 -7.930 -3.182 -15.955 641 HE3 MET 94 3HE MET 94 -9.393 -2.507 -16.675 642 H LYS 95 H LYS 95 -4.488 -5.611 -16.633 643 HA LYS 95 HA LYS 95 -2.926 -7.883 -16.107 644 HB2 LYS 95 2HB LYS 95 -3.132 -7.206 -13.720 645 HB3 LYS 95 3HB LYS 95 -2.654 -5.889 -14.783 646 HG2 LYS 95 2HG LYS 95 -4.996 -5.104 -14.803 647 HG3 LYS 95 3HG LYS 95 -5.400 -6.376 -13.648 648 HD2 LYS 95 2HD LYS 95 -3.499 -5.355 -12.221 649 HD3 LYS 95 3HD LYS 95 -3.692 -3.943 -13.263 650 HE2 LYS 95 2HE LYS 95 -5.554 -3.317 -12.209 651 HE3 LYS 95 3HE LYS 95 -6.241 -4.937 -12.313 652 HZ1 LYS 95 1HZ LYS 95 -6.040 -4.634 -10.059 653 HZ2 LYS 95 2HZ LYS 95 -4.602 -3.752 -10.177 654 HZ3 LYS 95 3HZ LYS 95 -4.587 -5.429 -10.404 655 H THR 96 H THR 96 -6.347 -7.244 -15.670 656 HA THR 96 HA THR 96 -7.007 -9.389 -14.003 657 HB THR 96 HB THR 96 -8.776 -8.289 -16.189 658 HG1 THR 96 HG1 THR 96 -9.467 -6.920 -14.288 659 HG21 THR 96 1HG2 THR 96 -9.365 -10.379 -14.735 660 HG22 THR 96 2HG2 THR 96 -10.575 -9.123 -14.997 661 HG23 THR 96 3HG2 THR 96 -9.676 -9.181 -13.480 662 H THR 97 H THR 97 -6.924 -9.191 -17.549 663 HA THR 97 HA THR 97 -7.876 -11.726 -18.150 664 HB THR 97 HB THR 97 -5.647 -10.464 -19.729 665 HG1 THR 97 HG1 THR 97 -8.394 -9.750 -19.937 666 HG21 THR 97 1HG2 THR 97 -7.850 -12.391 -20.227 667 HG22 THR 97 2HG2 THR 97 -6.206 -12.361 -20.866 668 HG23 THR 97 3HG2 THR 97 -7.432 -11.282 -21.532 669 H TYR 98 H TYR 98 -4.447 -10.749 -17.946 670 HA TYR 98 HA TYR 98 -3.320 -13.262 -18.221 671 HB2 TYR 98 2HB TYR 98 -2.451 -10.652 -17.221 672 HB3 TYR 98 3HB TYR 98 -1.605 -11.999 -16.470 673 HD1 TYR 98 HD1 TYR 98 -1.842 -9.907 -19.354 674 HD2 TYR 98 HD2 TYR 98 -0.508 -13.719 -18.017 675 HE1 TYR 98 HE1 TYR 98 -0.386 -10.083 -21.329 676 HE2 TYR 98 HE2 TYR 98 0.953 -13.905 -19.987 677 HH TYR 98 HH TYR 98 0.872 -12.816 -22.447 678 H LEU 99 H LEU 99 -4.333 -11.604 -15.251 679 HA LEU 99 HA LEU 99 -3.472 -13.458 -13.383 680 HB2 LEU 99 2HB LEU 99 -4.336 -11.314 -12.725 681 HB3 LEU 99 3HB LEU 99 -5.926 -11.712 -13.372 682 HG LEU 99 HG LEU 99 -4.840 -13.431 -11.203 683 HD11 LEU 99 1HD1 LEU 99 -4.384 -11.585 -9.980 684 HD12 LEU 99 2HD1 LEU 99 -6.127 -11.620 -9.716 685 HD13 LEU 99 3HD1 LEU 99 -5.442 -10.549 -10.939 686 HD21 LEU 99 1HD2 LEU 99 -7.407 -12.747 -12.425 687 HD22 LEU 99 2HD2 LEU 99 -7.444 -12.807 -10.662 688 HD23 LEU 99 3HD2 LEU 99 -6.903 -14.212 -11.582 689 H GLU 100 H GLU 100 -6.522 -13.374 -15.191 690 HA GLU 100 HA GLU 100 -7.662 -15.650 -13.962 691 HB2 GLU 100 2HB GLU 100 -8.884 -13.895 -15.304 692 HB3 GLU 100 3HB GLU 100 -8.230 -14.648 -16.752 693 HG2 GLU 100 2HG GLU 100 -9.302 -16.810 -15.699 694 HG3 GLU 100 3HG GLU 100 -10.316 -15.624 -14.880 695 H ARG 101 H ARG 101 -5.641 -15.220 -16.819 696 HA ARG 101 HA ARG 101 -5.851 -17.795 -17.884 697 HB2 ARG 101 2HB ARG 101 -4.443 -15.484 -18.498 698 HB3 ARG 101 3HB ARG 101 -3.182 -16.658 -18.148 699 HG2 ARG 101 2HG ARG 101 -3.590 -16.762 -20.472 700 HG3 ARG 101 3HG ARG 101 -4.319 -18.207 -19.766 701 HD2 ARG 101 2HD ARG 101 -6.295 -17.650 -20.609 702 HD3 ARG 101 3HD ARG 101 -6.247 -16.109 -19.753 703 HE ARG 101 HE ARG 101 -5.685 -15.077 -21.716 704 HH11 ARG 101 1HH1 ARG 101 -5.195 -18.507 -22.051 705 HH12 ARG 101 2HH1 ARG 101 -4.879 -18.427 -23.753 706 HH21 ARG 101 1HH2 ARG 101 -5.270 -14.959 -23.956 707 HH22 ARG 101 2HH2 ARG 101 -4.921 -16.408 -24.835 708 H LYS 102 H LYS 102 -3.237 -16.495 -15.830 709 HA LYS 102 HA LYS 102 -1.930 -18.932 -15.414 710 HB2 LYS 102 2HB LYS 102 -0.901 -17.807 -13.446 711 HB3 LYS 102 3HB LYS 102 -0.820 -16.852 -14.921 712 HG2 LYS 102 2HG LYS 102 -2.898 -15.661 -14.093 713 HG3 LYS 102 3HG LYS 102 -2.605 -16.451 -12.542 714 HD2 LYS 102 2HD LYS 102 -0.606 -14.712 -13.984 715 HD3 LYS 102 3HD LYS 102 -1.663 -14.156 -12.684 716 HE2 LYS 102 2HE LYS 102 -0.554 -16.346 -11.541 717 HE3 LYS 102 3HE LYS 102 0.767 -15.815 -12.581 718 HZ1 LYS 102 1HZ LYS 102 0.861 -14.832 -10.352 719 HZ2 LYS 102 2HZ LYS 102 -0.636 -14.090 -10.613 720 HZ3 LYS 102 3HZ LYS 102 0.699 -13.654 -11.556 721 H ALA 103 H ALA 103 -4.474 -17.328 -13.546 722 HA ALA 103 HA ALA 103 -4.564 -19.020 -11.347 723 HB1 ALA 103 1HB ALA 103 -6.585 -17.300 -12.709 724 HB2 ALA 103 2HB ALA 103 -7.098 -18.383 -11.414 725 HB3 ALA 103 3HB ALA 103 -5.877 -17.149 -11.100 726 H GLU 104 H GLU 104 -6.167 -19.339 -14.493 727 HA GLU 104 HA GLU 104 -7.573 -21.720 -13.820 728 HB2 GLU 104 2HB GLU 104 -7.662 -19.924 -15.902 729 HB3 GLU 104 3HB GLU 104 -6.957 -21.345 -16.661 730 HG2 GLU 104 2HG GLU 104 -9.257 -21.961 -14.984 731 HG3 GLU 104 3HG GLU 104 -9.630 -20.864 -16.313 732 H GLU 105 H GLU 105 -4.493 -21.050 -15.414 733 HA GLU 105 HA GLU 105 -3.878 -23.612 -16.306 734 HB2 GLU 105 2HB GLU 105 -2.595 -21.565 -16.869 735 HB3 GLU 105 3HB GLU 105 -1.946 -21.548 -15.236 736 HG2 GLU 105 2HG GLU 105 -0.958 -23.787 -15.673 737 HG3 GLU 105 3HG GLU 105 -1.490 -23.640 -17.347 738 H ILE 106 H ILE 106 -2.943 -22.077 -13.228 739 HA ILE 106 HA ILE 106 -1.734 -24.386 -12.140 740 HB ILE 106 HB ILE 106 -1.268 -22.137 -11.280 741 HG12 ILE 106 2HG1 ILE 106 -2.337 -23.171 -8.806 742 HG13 ILE 106 3HG1 ILE 106 -1.679 -24.481 -9.780 743 HG21 ILE 106 1HG2 ILE 106 -2.861 -20.949 -9.902 744 HG22 ILE 106 2HG2 ILE 106 -3.558 -21.252 -11.492 745 HG23 ILE 106 3HG2 ILE 106 -4.047 -22.237 -10.114 746 HD11 ILE 106 1HD1 ILE 106 -0.286 -22.095 -8.646 747 HD12 ILE 106 2HD1 ILE 106 0.118 -23.805 -8.492 748 HD13 ILE 106 3HD1 ILE 106 0.386 -22.969 -10.022 749 H ALA 107 H ALA 107 -5.025 -23.180 -12.126 750 HA ALA 107 HA ALA 107 -6.089 -24.765 -10.079 751 HB1 ALA 107 1HB ALA 107 -7.434 -23.010 -10.860 752 HB2 ALA 107 2HB ALA 107 -7.311 -23.546 -12.536 753 HB3 ALA 107 3HB ALA 107 -8.262 -24.478 -11.379 754 H ALA 108 H ALA 108 -5.659 -25.427 -13.530 755 HA ALA 108 HA ALA 108 -6.973 -27.940 -13.516 756 HB1 ALA 108 1HB ALA 108 -6.605 -26.621 -15.558 757 HB2 ALA 108 2HB ALA 108 -4.874 -26.932 -15.431 758 HB3 ALA 108 3HB ALA 108 -5.992 -28.268 -15.707 759 H LYS 109 H LYS 109 -3.599 -26.962 -13.121 760 HA LYS 109 HA LYS 109 -2.470 -29.540 -13.134 761 HB2 LYS 109 2HB LYS 109 -1.442 -27.146 -11.605 762 HB3 LYS 109 3HB LYS 109 -0.508 -28.520 -12.182 763 HG2 LYS 109 2HG LYS 109 -1.787 -27.412 -14.432 764 HG3 LYS 109 3HG LYS 109 -1.113 -26.068 -13.508 765 HD2 LYS 109 2HD LYS 109 0.547 -26.824 -15.067 766 HD3 LYS 109 3HD LYS 109 1.059 -27.286 -13.442 767 HE2 LYS 109 2HE LYS 109 -0.052 -29.535 -13.926 768 HE3 LYS 109 3HE LYS 109 -0.086 -29.020 -15.612 769 HZ1 LYS 109 1HZ LYS 109 2.479 -28.538 -14.746 770 HZ2 LYS 109 2HZ LYS 109 1.973 -29.788 -15.766 771 HZ3 LYS 109 3HZ LYS 109 2.084 -30.050 -14.098 772 H LYS 110 H LYS 110 -3.465 -27.460 -10.421 773 HA LYS 110 HA LYS 110 -2.981 -29.548 -8.493 774 HB2 LYS 110 2HB LYS 110 -3.554 -26.704 -8.448 775 HB3 LYS 110 3HB LYS 110 -4.526 -27.572 -7.267 776 HG2 LYS 110 2HG LYS 110 -2.354 -28.646 -6.500 777 HG3 LYS 110 3HG LYS 110 -1.537 -27.419 -7.469 778 HD2 LYS 110 2HD LYS 110 -3.254 -25.866 -6.090 779 HD3 LYS 110 3HD LYS 110 -3.003 -27.163 -4.919 780 HE2 LYS 110 2HE LYS 110 -0.754 -25.698 -6.285 781 HE3 LYS 110 3HE LYS 110 -1.429 -25.207 -4.732 782 HZ1 LYS 110 1HZ LYS 110 -0.473 -26.933 -3.668 783 HZ2 LYS 110 2HZ LYS 110 0.625 -26.855 -4.952 784 HZ3 LYS 110 3HZ LYS 110 -0.626 -27.994 -4.977 Start of MODEL 10 1 H1 THR 12 H THR 12 0.260 2.014 0.167 2 HA THR 12 HA THR 12 1.637 1.881 -1.642 3 HB THR 12 HB THR 12 2.311 -0.800 -1.961 4 HG1 THR 12 HG1 THR 12 1.854 -0.174 0.780 5 HG21 THR 12 1HG2 THR 12 3.880 1.048 -2.000 6 HG22 THR 12 2HG2 THR 12 4.402 -0.146 -0.811 7 HG23 THR 12 3HG2 THR 12 3.618 1.342 -0.282 8 H ASP 13 H ASP 13 1.304 1.765 -3.794 9 HA ASP 13 HA ASP 13 -0.741 -0.121 -4.762 10 HB2 ASP 13 2HB ASP 13 -1.440 1.646 -6.382 11 HB3 ASP 13 3HB ASP 13 -1.750 2.069 -4.700 12 H HIS 14 H HIS 14 -0.310 -1.191 -6.626 13 HA HIS 14 HA HIS 14 2.179 -0.491 -8.039 14 HB2 HIS 14 2HB HIS 14 2.503 -2.938 -8.430 15 HB3 HIS 14 3HB HIS 14 2.624 -2.470 -6.736 16 HD1 HIS 14 HD1 HIS 14 0.567 -4.473 -9.103 17 HD2 HIS 14 HD2 HIS 14 0.539 -3.414 -5.086 18 HE1 HIS 14 HE1 HIS 14 -1.118 -5.993 -8.019 19 H GLN 15 H GLN 15 1.971 -0.189 -10.161 20 HA GLN 15 HA GLN 15 -0.394 -1.309 -11.510 21 HB2 GLN 15 2HB GLN 15 -0.381 0.763 -12.935 22 HB3 GLN 15 3HB GLN 15 -0.837 1.021 -11.256 23 HG2 GLN 15 2HG GLN 15 2.007 1.333 -11.628 24 HG3 GLN 15 3HG GLN 15 1.094 2.392 -12.702 25 HE21 GLN 15 1HE2 GLN 15 1.302 4.324 -11.769 26 HE22 GLN 15 2HE2 GLN 15 0.850 4.698 -10.144 27 H THR 16 H THR 16 0.017 -2.457 -13.286 28 HA THR 16 HA THR 16 2.428 -1.949 -14.843 29 HB THR 16 HB THR 16 1.830 -4.723 -13.801 30 HG1 THR 16 HG1 THR 16 3.629 -2.717 -12.923 31 HG21 THR 16 1HG2 THR 16 3.114 -4.125 -16.069 32 HG22 THR 16 2HG2 THR 16 3.584 -5.478 -15.041 33 HG23 THR 16 3HG2 THR 16 4.456 -3.948 -14.939 34 H VAL 17 H VAL 17 2.069 -2.177 -16.965 35 HA VAL 17 HA VAL 17 -0.387 -3.579 -17.799 36 HB VAL 17 HB VAL 17 0.953 -1.305 -19.263 37 HG11 VAL 17 1HG1 VAL 17 -0.311 -2.690 -20.747 38 HG12 VAL 17 2HG1 VAL 17 -1.680 -2.724 -19.634 39 HG13 VAL 17 3HG1 VAL 17 -1.242 -1.223 -20.450 40 HG21 VAL 17 1HG2 VAL 17 0.153 -0.330 -17.277 41 HG22 VAL 17 2HG2 VAL 17 -1.101 -0.022 -18.477 42 HG23 VAL 17 3HG2 VAL 17 -1.314 -1.308 -17.290 43 H TYR 18 H TYR 18 -0.332 -4.822 -19.690 44 HA TYR 18 HA TYR 18 2.377 -5.596 -20.545 45 HB2 TYR 18 2HB TYR 18 -0.143 -7.258 -20.702 46 HB3 TYR 18 3HB TYR 18 1.499 -7.795 -21.039 47 HD1 TYR 18 HD1 TYR 18 3.004 -8.376 -19.260 48 HD2 TYR 18 HD2 TYR 18 -0.861 -6.828 -18.387 49 HE1 TYR 18 HE1 TYR 18 3.268 -9.059 -16.912 50 HE2 TYR 18 HE2 TYR 18 -0.608 -7.505 -16.036 51 HH TYR 18 HH TYR 18 1.827 -7.965 -14.505 52 H VAL 19 H VAL 19 2.931 -5.402 -22.627 53 HA VAL 19 HA VAL 19 0.814 -4.972 -24.621 54 HB VAL 19 HB VAL 19 3.354 -3.345 -24.444 55 HG11 VAL 19 1HG1 VAL 19 1.264 -3.670 -26.510 56 HG12 VAL 19 2HG1 VAL 19 1.817 -2.024 -26.194 57 HG13 VAL 19 3HG1 VAL 19 2.973 -3.267 -26.676 58 HG21 VAL 19 1HG2 VAL 19 0.515 -2.420 -24.036 59 HG22 VAL 19 2HG2 VAL 19 1.619 -2.815 -22.718 60 HG23 VAL 19 3HG2 VAL 19 1.994 -1.484 -23.813 61 H LYS 20 H LYS 20 1.244 -5.729 -26.681 62 HA LYS 20 HA LYS 20 2.795 -7.990 -26.976 63 HB2 LYS 20 2HB LYS 20 2.630 -7.472 -29.481 64 HB3 LYS 20 3HB LYS 20 1.124 -7.651 -28.590 65 HG2 LYS 20 2HG LYS 20 0.598 -5.432 -28.755 66 HG3 LYS 20 3HG LYS 20 2.284 -4.929 -28.892 67 HD2 LYS 20 2HD LYS 20 1.272 -6.626 -31.081 68 HD3 LYS 20 3HD LYS 20 0.559 -5.015 -30.969 69 HE2 LYS 20 2HE LYS 20 3.500 -5.181 -30.713 70 HE3 LYS 20 3HE LYS 20 2.829 -5.541 -32.303 71 HZ1 LYS 20 1HZ LYS 20 2.691 -3.030 -30.766 72 HZ2 LYS 20 2HZ LYS 20 1.532 -3.368 -31.950 73 HZ3 LYS 20 3HZ LYS 20 3.168 -3.271 -32.371 74 HA PRO 21 HA PRO 21 6.964 -6.749 -27.551 75 HB2 PRO 21 2HB PRO 21 7.822 -8.536 -29.406 76 HB3 PRO 21 3HB PRO 21 7.490 -8.978 -27.727 77 HG2 PRO 21 2HG PRO 21 5.771 -9.327 -30.153 78 HG3 PRO 21 3HG PRO 21 6.074 -10.461 -28.825 79 HD2 PRO 21 2HD PRO 21 3.824 -8.964 -28.975 80 HD3 PRO 21 3HD PRO 21 4.560 -9.427 -27.428 81 H VAL 22 H VAL 22 8.550 -5.976 -29.145 82 HA VAL 22 HA VAL 22 7.208 -4.693 -31.430 83 HB VAL 22 HB VAL 22 9.212 -3.123 -31.361 84 HG11 VAL 22 1HG1 VAL 22 6.854 -3.231 -29.681 85 HG12 VAL 22 2HG1 VAL 22 8.147 -2.283 -28.943 86 HG13 VAL 22 3HG1 VAL 22 7.557 -1.869 -30.553 87 HG21 VAL 22 1HG2 VAL 22 10.675 -3.107 -29.598 88 HG22 VAL 22 2HG2 VAL 22 9.542 -3.903 -28.505 89 HG23 VAL 22 3HG2 VAL 22 10.381 -4.840 -29.742 90 HA PRO 23 HA PRO 23 9.711 -6.840 -34.327 91 HB2 PRO 23 2HB PRO 23 10.053 -4.948 -36.245 92 HB3 PRO 23 3HB PRO 23 8.514 -5.776 -35.974 93 HG2 PRO 23 2HG PRO 23 9.398 -3.069 -35.050 94 HG3 PRO 23 3HG PRO 23 7.835 -3.565 -35.726 95 HD2 PRO 23 2HD PRO 23 8.232 -3.231 -33.068 96 HD3 PRO 23 3HD PRO 23 7.101 -4.434 -33.721 97 HA PRO 24 HA PRO 24 13.996 -5.970 -33.857 98 HB2 PRO 24 2HB PRO 24 15.021 -6.675 -36.270 99 HB3 PRO 24 3HB PRO 24 14.427 -7.856 -35.096 100 HG2 PRO 24 2HG PRO 24 13.062 -6.738 -37.515 101 HG3 PRO 24 3HG PRO 24 13.112 -8.412 -36.932 102 HD2 PRO 24 2HD PRO 24 10.986 -6.787 -36.517 103 HD3 PRO 24 3HD PRO 24 11.466 -8.046 -35.360 104 H THR 25 H THR 25 12.233 -4.382 -36.368 105 HA THR 25 HA THR 25 14.390 -2.606 -37.113 106 HB THR 25 HB THR 25 11.466 -2.311 -37.811 107 HG1 THR 25 HG1 THR 25 13.518 -3.837 -39.067 108 HG21 THR 25 1HG2 THR 25 13.000 -0.375 -38.214 109 HG22 THR 25 2HG2 THR 25 12.252 -1.021 -39.675 110 HG23 THR 25 3HG2 THR 25 13.931 -1.407 -39.298 111 H ALA 26 H ALA 26 11.433 -2.454 -35.185 112 HA ALA 26 HA ALA 26 11.387 0.286 -34.665 113 HB1 ALA 26 1HB ALA 26 10.009 -0.254 -32.737 114 HB2 ALA 26 2HB ALA 26 9.540 -1.234 -34.127 115 HB3 ALA 26 3HB ALA 26 10.508 -1.943 -32.834 116 H THR 27 H THR 27 13.053 1.430 -33.922 117 HA THR 27 HA THR 27 14.967 0.268 -32.080 118 HB THR 27 HB THR 27 16.255 2.283 -32.360 119 HG1 THR 27 HG1 THR 27 13.980 3.300 -33.750 120 HG21 THR 27 1HG2 THR 27 15.043 1.547 -35.027 121 HG22 THR 27 2HG2 THR 27 16.295 0.620 -34.201 122 HG23 THR 27 3HG2 THR 27 16.631 2.261 -34.749 123 H LEU 28 H LEU 28 15.738 1.887 -30.289 124 HA LEU 28 HA LEU 28 13.589 2.126 -28.442 125 HB2 LEU 28 2HB LEU 28 16.222 1.812 -28.153 126 HB3 LEU 28 3HB LEU 28 16.136 3.561 -27.950 127 HG LEU 28 HG LEU 28 14.607 1.557 -26.291 128 HD11 LEU 28 1HD1 LEU 28 17.267 2.860 -25.941 129 HD12 LEU 28 2HD1 LEU 28 16.764 1.209 -25.580 130 HD13 LEU 28 3HD1 LEU 28 16.263 2.532 -24.527 131 HD21 LEU 28 1HD2 LEU 28 14.539 4.465 -26.560 132 HD22 LEU 28 2HD2 LEU 28 14.762 3.910 -24.901 133 HD23 LEU 28 3HD2 LEU 28 13.368 3.364 -25.834 134 H GLU 29 H GLU 29 15.449 4.444 -30.356 135 HA GLU 29 HA GLU 29 14.342 6.783 -29.237 136 HB2 GLU 29 2HB GLU 29 16.403 6.489 -30.785 137 HB3 GLU 29 3HB GLU 29 15.239 6.604 -32.098 138 HG2 GLU 29 2HG GLU 29 14.554 8.797 -31.342 139 HG3 GLU 29 3HG GLU 29 15.638 8.682 -29.957 140 H GLN 30 H GLN 30 13.367 4.760 -31.962 141 HA GLN 30 HA GLN 30 11.287 6.449 -32.877 142 HB2 GLN 30 2HB GLN 30 12.365 4.604 -34.195 143 HB3 GLN 30 3HB GLN 30 11.479 3.452 -33.203 144 HG2 GLN 30 2HG GLN 30 9.383 4.727 -33.967 145 HG3 GLN 30 3HG GLN 30 10.428 5.396 -35.218 146 HE21 GLN 30 1HE2 GLN 30 10.796 4.234 -36.994 147 HE22 GLN 30 2HE2 GLN 30 10.308 2.594 -37.229 148 H LEU 31 H LEU 31 11.366 3.712 -30.639 149 HA LEU 31 HA LEU 31 8.595 3.484 -30.238 150 HB2 LEU 31 2HB LEU 31 11.001 2.400 -29.108 151 HB3 LEU 31 3HB LEU 31 9.869 2.816 -27.823 152 HG LEU 31 HG LEU 31 9.117 1.084 -30.169 153 HD11 LEU 31 1HD1 LEU 31 11.044 0.316 -28.514 154 HD12 LEU 31 2HD1 LEU 31 9.819 -0.801 -29.113 155 HD13 LEU 31 3HD1 LEU 31 9.658 -0.097 -27.504 156 HD21 LEU 31 1HD2 LEU 31 7.110 1.594 -29.278 157 HD22 LEU 31 2HD2 LEU 31 7.796 2.058 -27.721 158 HD23 LEU 31 3HD2 LEU 31 7.550 0.354 -28.104 159 H THR 32 H THR 32 11.058 5.221 -28.342 160 HA THR 32 HA THR 32 9.304 6.308 -26.441 161 HB THR 32 HB THR 32 11.930 7.435 -27.432 162 HG1 THR 32 HG1 THR 32 12.280 5.424 -26.543 163 HG21 THR 32 1HG2 THR 32 10.048 8.257 -25.300 164 HG22 THR 32 2HG2 THR 32 11.193 9.220 -26.235 165 HG23 THR 32 3HG2 THR 32 11.760 8.246 -24.879 166 H GLU 33 H GLU 33 10.484 7.602 -29.526 167 HA GLU 33 HA GLU 33 9.360 10.143 -29.378 168 HB2 GLU 33 2HB GLU 33 10.966 9.345 -31.121 169 HB3 GLU 33 3HB GLU 33 9.643 8.466 -31.875 170 HG2 GLU 33 2HG GLU 33 8.574 10.403 -32.562 171 HG3 GLU 33 3HG GLU 33 9.426 11.406 -31.390 172 H PHE 34 H PHE 34 7.997 7.267 -30.991 173 HA PHE 34 HA PHE 34 5.534 8.373 -31.662 174 HB2 PHE 34 2HB PHE 34 6.704 5.717 -31.548 175 HB3 PHE 34 3HB PHE 34 4.997 5.691 -31.119 176 HD1 PHE 34 HD1 PHE 34 3.604 7.409 -32.765 177 HD2 PHE 34 HD2 PHE 34 7.120 5.213 -33.735 178 HE1 PHE 34 HE1 PHE 34 3.003 7.506 -35.148 179 HE2 PHE 34 HE2 PHE 34 6.525 5.309 -36.120 180 HZ PHE 34 HZ PHE 34 4.465 6.457 -36.830 181 H PHE 35 H PHE 35 6.552 6.727 -28.704 182 HA PHE 35 HA PHE 35 4.085 6.534 -27.433 183 HB2 PHE 35 2HB PHE 35 6.893 6.396 -26.653 184 HB3 PHE 35 3HB PHE 35 5.872 7.053 -25.377 185 HD1 PHE 35 HD1 PHE 35 3.472 5.645 -25.355 186 HD2 PHE 35 HD2 PHE 35 7.332 4.172 -26.378 187 HE1 PHE 35 HE1 PHE 35 2.760 3.369 -24.751 188 HE2 PHE 35 HE2 PHE 35 6.626 1.893 -25.777 189 HZ PHE 35 HZ PHE 35 4.337 1.489 -24.963 190 H SER 36 H SER 36 6.527 9.107 -27.067 191 HA SER 36 HA SER 36 5.051 10.773 -25.399 192 HB2 SER 36 2HB SER 36 7.315 11.200 -27.303 193 HB3 SER 36 3HB SER 36 6.503 12.614 -26.632 194 HG SER 36 HG SER 36 8.269 11.931 -25.339 195 H LYS 37 H LYS 37 4.995 10.423 -28.890 196 HA LYS 37 HA LYS 37 3.500 12.727 -29.504 197 HB2 LYS 37 2HB LYS 37 4.754 10.953 -31.022 198 HB3 LYS 37 3HB LYS 37 3.151 10.235 -31.109 199 HG2 LYS 37 2HG LYS 37 2.405 12.648 -31.739 200 HG3 LYS 37 3HG LYS 37 4.109 12.861 -32.146 201 HD2 LYS 37 2HD LYS 37 2.630 10.478 -33.176 202 HD3 LYS 37 3HD LYS 37 2.414 12.045 -33.961 203 HE2 LYS 37 2HE LYS 37 5.143 11.865 -33.675 204 HE3 LYS 37 3HE LYS 37 4.676 10.203 -34.032 205 HZ1 LYS 37 1HZ LYS 37 4.820 10.940 -36.138 206 HZ2 LYS 37 2HZ LYS 37 4.573 12.561 -35.723 207 HZ3 LYS 37 3HZ LYS 37 3.253 11.511 -35.852 208 H HIS 38 H HIS 38 2.561 9.500 -28.484 209 HA HIS 38 HA HIS 38 -0.125 10.486 -27.937 210 HB2 HIS 38 2HB HIS 38 0.046 9.346 -30.274 211 HB3 HIS 38 3HB HIS 38 0.134 7.850 -29.350 212 HD1 HIS 38 HD1 HIS 38 -2.176 10.825 -29.802 213 HD2 HIS 38 HD2 HIS 38 -2.282 6.851 -28.595 214 HE1 HIS 38 HE1 HIS 38 -4.611 10.284 -29.482 215 H GLY 39 H GLY 39 -0.375 10.077 -25.843 216 HA2 GLY 39 2HA GLY 39 -0.833 8.564 -24.076 217 HA3 GLY 39 3HA GLY 39 0.177 7.367 -24.873 218 H THR 40 H THR 40 0.086 8.713 -22.107 219 HA THR 40 HA THR 40 2.901 9.573 -22.020 220 HB THR 40 HB THR 40 0.888 10.049 -19.830 221 HG1 THR 40 HG1 THR 40 0.836 12.234 -20.858 222 HG21 THR 40 1HG2 THR 40 2.949 10.527 -18.935 223 HG22 THR 40 2HG2 THR 40 2.551 12.092 -19.646 224 HG23 THR 40 3HG2 THR 40 3.638 10.990 -20.490 225 H VAL 41 H VAL 41 4.257 8.064 -21.329 226 HA VAL 41 HA VAL 41 3.323 6.163 -19.277 227 HB VAL 41 HB VAL 41 4.925 4.529 -20.177 228 HG11 VAL 41 1HG1 VAL 41 2.461 5.117 -21.135 229 HG12 VAL 41 2HG1 VAL 41 3.423 5.195 -22.613 230 HG13 VAL 41 3HG1 VAL 41 3.418 3.724 -21.640 231 HG21 VAL 41 1HG2 VAL 41 6.077 4.890 -22.255 232 HG22 VAL 41 2HG2 VAL 41 5.323 6.473 -22.449 233 HG23 VAL 41 3HG2 VAL 41 6.486 6.202 -21.151 234 H GLN 42 H GLN 42 4.729 5.631 -17.606 235 HA GLN 42 HA GLN 42 6.633 7.671 -16.926 236 HB2 GLN 42 2HB GLN 42 5.026 6.278 -15.383 237 HB3 GLN 42 3HB GLN 42 6.356 5.127 -15.376 238 HG2 GLN 42 2HG GLN 42 7.840 6.757 -14.439 239 HG3 GLN 42 3HG GLN 42 6.621 8.020 -14.598 240 HE21 GLN 42 1HE2 GLN 42 8.056 5.988 -12.477 241 HE22 GLN 42 2HE2 GLN 42 6.824 5.900 -11.269 242 H ALA 43 H ALA 43 6.865 4.135 -17.335 243 HA ALA 43 HA ALA 43 9.456 4.419 -18.590 244 HB1 ALA 43 1HB ALA 43 10.417 4.365 -16.509 245 HB2 ALA 43 2HB ALA 43 9.137 3.364 -15.822 246 HB3 ALA 43 3HB ALA 43 10.348 2.642 -16.880 247 H VAL 44 H VAL 44 10.309 2.302 -19.334 248 HA VAL 44 HA VAL 44 8.332 0.160 -19.491 249 HB VAL 44 HB VAL 44 7.817 1.491 -21.450 250 HG11 VAL 44 1HG1 VAL 44 10.266 1.111 -22.932 251 HG12 VAL 44 2HG1 VAL 44 9.342 2.587 -22.644 252 HG13 VAL 44 3HG1 VAL 44 10.545 2.054 -21.468 253 HG21 VAL 44 1HG2 VAL 44 7.875 -1.039 -21.540 254 HG22 VAL 44 2HG2 VAL 44 7.938 -0.205 -23.092 255 HG23 VAL 44 3HG2 VAL 44 9.410 -0.881 -22.393 256 H TRP 45 H TRP 45 9.203 -1.863 -19.790 257 HA TRP 45 HA TRP 45 11.908 -2.275 -20.618 258 HB2 TRP 45 2HB TRP 45 11.280 -2.058 -17.743 259 HB3 TRP 45 3HB TRP 45 12.218 -3.479 -18.197 260 HD1 TRP 45 HD1 TRP 45 14.527 -2.844 -19.724 261 HE1 TRP 45 HE1 TRP 45 16.185 -0.919 -19.312 262 HE3 TRP 45 HE3 TRP 45 11.565 0.180 -16.856 263 HZ2 TRP 45 HZ2 TRP 45 16.232 1.554 -17.951 264 HZ3 TRP 45 HZ3 TRP 45 12.492 2.307 -16.039 265 HH2 TRP 45 HH2 TRP 45 14.778 2.978 -16.575 266 H ARG 46 H ARG 46 12.545 -4.645 -20.241 267 HA ARG 46 HA ARG 46 10.355 -6.494 -19.906 268 HB2 ARG 46 2HB ARG 46 10.581 -7.499 -22.147 269 HB3 ARG 46 3HB ARG 46 9.997 -5.842 -22.219 270 HG2 ARG 46 2HG ARG 46 12.918 -6.321 -22.476 271 HG3 ARG 46 3HG ARG 46 11.871 -6.711 -23.842 272 HD2 ARG 46 2HD ARG 46 11.207 -4.137 -22.712 273 HD3 ARG 46 3HD ARG 46 12.908 -4.212 -23.172 274 HE ARG 46 HE ARG 46 11.322 -5.249 -25.254 275 HH11 ARG 46 1HH1 ARG 46 12.112 -2.236 -23.699 276 HH12 ARG 46 2HH1 ARG 46 11.827 -1.280 -25.116 277 HH21 ARG 46 1HH2 ARG 46 10.943 -4.002 -27.126 278 HH22 ARG 46 2HH2 ARG 46 11.161 -2.286 -27.064 279 H ARG 47 H ARG 47 11.033 -8.645 -19.654 280 HA ARG 47 HA ARG 47 13.873 -9.242 -19.876 281 HB2 ARG 47 2HB ARG 47 14.181 -9.859 -17.601 282 HB3 ARG 47 3HB ARG 47 13.466 -8.253 -17.589 283 HG2 ARG 47 2HG ARG 47 11.229 -9.681 -17.424 284 HG3 ARG 47 3HG ARG 47 12.344 -10.839 -16.696 285 HD2 ARG 47 2HD ARG 47 13.008 -8.403 -15.536 286 HD3 ARG 47 3HD ARG 47 11.247 -8.388 -15.613 287 HE ARG 47 HE ARG 47 12.100 -10.868 -14.609 288 HH11 ARG 47 1HH1 ARG 47 11.956 -7.511 -13.699 289 HH12 ARG 47 2HH1 ARG 47 11.848 -7.841 -12.001 290 HH21 ARG 47 1HH2 ARG 47 11.958 -11.315 -12.377 291 HH22 ARG 47 2HH2 ARG 47 11.850 -10.005 -11.251 292 H TYR 48 H TYR 48 14.338 -11.541 -19.547 293 HA TYR 48 HA TYR 48 12.044 -13.335 -19.626 294 HB2 TYR 48 2HB TYR 48 12.961 -14.477 -21.666 295 HB3 TYR 48 3HB TYR 48 12.310 -12.870 -21.963 296 HD1 TYR 48 HD1 TYR 48 15.240 -14.980 -22.098 297 HD2 TYR 48 HD2 TYR 48 13.881 -10.953 -22.294 298 HE1 TYR 48 HE1 TYR 48 17.368 -14.319 -23.139 299 HE2 TYR 48 HE2 TYR 48 16.005 -10.281 -23.336 300 HH TYR 48 HH TYR 48 18.736 -12.212 -23.354 301 H PHE 49 H PHE 49 12.458 -14.907 -18.238 302 HA PHE 49 HA PHE 49 15.174 -15.467 -17.409 303 HB2 PHE 49 2HB PHE 49 12.555 -15.758 -16.273 304 HB3 PHE 49 3HB PHE 49 13.383 -17.311 -16.224 305 HD1 PHE 49 HD1 PHE 49 15.279 -17.664 -14.814 306 HD2 PHE 49 HD2 PHE 49 13.468 -13.822 -15.091 307 HE1 PHE 49 HE1 PHE 49 16.540 -16.931 -12.832 308 HE2 PHE 49 HE2 PHE 49 14.727 -13.082 -13.110 309 HZ PHE 49 HZ PHE 49 16.266 -14.637 -11.979 310 H ALA 50 H ALA 50 16.413 -17.002 -18.245 311 HA ALA 50 HA ALA 50 15.315 -18.871 -20.162 312 HB1 ALA 50 1HB ALA 50 17.396 -19.018 -20.999 313 HB2 ALA 50 2HB ALA 50 17.679 -17.562 -20.044 314 HB3 ALA 50 3HB ALA 50 18.142 -19.140 -19.406 315 H GLY 51 H GLY 51 16.493 -18.897 -16.876 316 HA2 GLY 51 2HA GLY 51 16.024 -20.532 -15.271 317 HA3 GLY 51 3HA GLY 51 15.498 -21.610 -16.556 318 H LYS 52 H LYS 52 17.853 -21.069 -14.293 319 HA LYS 52 HA LYS 52 19.656 -22.952 -15.639 320 HB2 LYS 52 2HB LYS 52 20.472 -20.537 -15.786 321 HB3 LYS 52 3HB LYS 52 20.695 -20.613 -14.044 322 HG2 LYS 52 2HG LYS 52 22.757 -21.304 -14.535 323 HG3 LYS 52 3HG LYS 52 21.997 -22.861 -14.869 324 HD2 LYS 52 2HD LYS 52 21.823 -22.316 -17.218 325 HD3 LYS 52 3HD LYS 52 22.446 -20.692 -16.919 326 HE2 LYS 52 2HE LYS 52 24.566 -21.673 -16.145 327 HE3 LYS 52 3HE LYS 52 23.938 -23.281 -16.500 328 HZ1 LYS 52 1HZ LYS 52 24.307 -23.028 -18.677 329 HZ2 LYS 52 2HZ LYS 52 25.359 -21.787 -18.217 330 HZ3 LYS 52 3HZ LYS 52 23.780 -21.421 -18.702 331 H LYS 53 H LYS 53 17.892 -23.893 -13.902 332 HA LYS 53 HA LYS 53 19.559 -24.699 -11.662 333 HB2 LYS 53 2HB LYS 53 17.635 -24.328 -10.060 334 HB3 LYS 53 3HB LYS 53 18.457 -22.875 -10.616 335 HG2 LYS 53 2HG LYS 53 16.319 -23.429 -12.404 336 HG3 LYS 53 3HG LYS 53 15.705 -23.504 -10.750 337 HD2 LYS 53 2HD LYS 53 16.332 -21.297 -10.295 338 HD3 LYS 53 3HD LYS 53 17.443 -21.235 -11.665 339 HE2 LYS 53 2HE LYS 53 15.745 -20.936 -13.198 340 HE3 LYS 53 3HE LYS 53 14.531 -21.673 -12.154 341 HZ1 LYS 53 1HZ LYS 53 15.609 -19.341 -10.953 342 HZ2 LYS 53 2HZ LYS 53 14.001 -19.696 -11.341 343 HZ3 LYS 53 3HZ LYS 53 15.012 -18.982 -12.495 344 H ASP 54 H ASP 54 18.128 -26.319 -10.259 345 HA ASP 54 HA ASP 54 17.052 -28.240 -12.195 346 HB2 ASP 54 2HB ASP 54 18.920 -28.617 -10.271 347 HB3 ASP 54 3HB ASP 54 17.467 -29.074 -9.387 348 H ALA 55 H ALA 55 15.531 -25.941 -11.185 349 HA ALA 55 HA ALA 55 13.379 -27.374 -9.768 350 HB1 ALA 55 1HB ALA 55 13.673 -25.741 -8.259 351 HB2 ALA 55 2HB ALA 55 14.530 -24.703 -9.399 352 HB3 ALA 55 3HB ALA 55 12.767 -24.751 -9.404 353 HA PRO 56 HA PRO 56 10.608 -26.686 -13.099 354 HB2 PRO 56 2HB PRO 56 8.286 -26.105 -11.818 355 HB3 PRO 56 3HB PRO 56 8.990 -27.727 -11.844 356 HG2 PRO 56 2HG PRO 56 9.122 -25.638 -9.703 357 HG3 PRO 56 3HG PRO 56 8.847 -27.383 -9.548 358 HD2 PRO 56 2HD PRO 56 11.257 -26.240 -9.077 359 HD3 PRO 56 3HD PRO 56 11.090 -27.880 -9.736 360 HA PRO 57 HA PRO 57 10.144 -22.440 -14.143 361 HB2 PRO 57 2HB PRO 57 7.813 -22.414 -15.535 362 HB3 PRO 57 3HB PRO 57 9.304 -23.118 -16.171 363 HG2 PRO 57 2HG PRO 57 6.962 -24.477 -14.895 364 HG3 PRO 57 3HG PRO 57 7.888 -24.956 -16.329 365 HD2 PRO 57 2HD PRO 57 8.280 -26.082 -13.898 366 HD3 PRO 57 3HD PRO 57 9.592 -25.874 -15.076 367 H GLU 58 H GLU 58 9.849 -21.292 -12.260 368 HA GLU 58 HA GLU 58 7.155 -21.138 -11.126 369 HB2 GLU 58 2HB GLU 58 9.150 -21.547 -9.651 370 HB3 GLU 58 3HB GLU 58 9.703 -19.927 -10.050 371 HG2 GLU 58 2HG GLU 58 8.263 -18.955 -8.648 372 HG3 GLU 58 3HG GLU 58 6.945 -20.038 -9.094 373 H SER 59 H SER 59 9.652 -19.141 -12.602 374 HA SER 59 HA SER 59 8.029 -16.744 -12.375 375 HB2 SER 59 2HB SER 59 10.149 -16.095 -14.014 376 HB3 SER 59 3HB SER 59 10.122 -15.913 -12.260 377 HG SER 59 HG SER 59 11.742 -17.409 -13.657 378 H ARG 60 H ARG 60 7.803 -15.368 -14.396 379 HA ARG 60 HA ARG 60 6.874 -17.089 -16.596 380 HB2 ARG 60 2HB ARG 60 5.953 -14.354 -15.704 381 HB3 ARG 60 3HB ARG 60 5.414 -15.130 -17.187 382 HG2 ARG 60 2HG ARG 60 5.072 -16.359 -14.465 383 HG3 ARG 60 3HG ARG 60 3.860 -15.331 -15.233 384 HD2 ARG 60 2HD ARG 60 3.167 -16.978 -16.573 385 HD3 ARG 60 3HD ARG 60 4.817 -17.437 -16.992 386 HE ARG 60 HE ARG 60 3.996 -18.269 -14.361 387 HH11 ARG 60 1HH1 ARG 60 4.085 -19.090 -17.743 388 HH12 ARG 60 2HH1 ARG 60 3.960 -20.796 -17.466 389 HH21 ARG 60 1HH2 ARG 60 3.831 -20.512 -13.983 390 HH22 ARG 60 2HH2 ARG 60 3.814 -21.603 -15.327 391 H THR 61 H THR 61 8.068 -17.059 -18.370 392 HA THR 61 HA THR 61 9.623 -14.630 -18.985 393 HB THR 61 HB THR 61 11.184 -16.363 -18.528 394 HG1 THR 61 HG1 THR 61 11.011 -16.541 -21.341 395 HG21 THR 61 1HG2 THR 61 9.144 -18.059 -19.660 396 HG22 THR 61 2HG2 THR 61 10.523 -18.490 -18.647 397 HG23 THR 61 3HG2 THR 61 10.711 -18.391 -20.398 398 H LYS 62 H LYS 62 8.555 -13.541 -20.513 399 HA LYS 62 HA LYS 62 7.849 -14.964 -22.974 400 HB2 LYS 62 2HB LYS 62 5.766 -13.440 -23.054 401 HB3 LYS 62 3HB LYS 62 5.718 -14.867 -22.027 402 HG2 LYS 62 2HG LYS 62 6.632 -12.336 -20.792 403 HG3 LYS 62 3HG LYS 62 4.919 -12.479 -21.194 404 HD2 LYS 62 2HD LYS 62 6.206 -14.754 -19.781 405 HD3 LYS 62 3HD LYS 62 5.895 -13.283 -18.857 406 HE2 LYS 62 2HE LYS 62 3.716 -13.727 -18.741 407 HE3 LYS 62 3HE LYS 62 3.617 -14.006 -20.479 408 HZ1 LYS 62 1HZ LYS 62 3.821 -16.224 -20.227 409 HZ2 LYS 62 2HZ LYS 62 3.195 -15.904 -18.689 410 HZ3 LYS 62 3HZ LYS 62 4.861 -16.108 -18.898 411 HA PRO 63 HA PRO 63 9.676 -11.554 -25.047 412 HB2 PRO 63 2HB PRO 63 8.156 -11.385 -27.290 413 HB3 PRO 63 3HB PRO 63 9.314 -12.690 -27.011 414 HG2 PRO 63 2HG PRO 63 6.346 -12.677 -26.624 415 HG3 PRO 63 3HG PRO 63 7.375 -13.931 -27.339 416 HD2 PRO 63 2HD PRO 63 6.454 -14.075 -24.796 417 HD3 PRO 63 3HD PRO 63 8.024 -14.746 -25.283 418 H SER 64 H SER 64 6.350 -11.434 -24.141 419 HA SER 64 HA SER 64 5.540 -8.953 -25.062 420 HB2 SER 64 2HB SER 64 4.839 -9.931 -22.300 421 HB3 SER 64 3HB SER 64 3.836 -9.024 -23.433 422 HG SER 64 HG SER 64 4.184 -11.708 -23.196 423 H VAL 65 H VAL 65 5.539 -6.866 -24.159 424 HA VAL 65 HA VAL 65 7.836 -6.349 -22.399 425 HB VAL 65 HB VAL 65 7.676 -4.002 -23.230 426 HG11 VAL 65 1HG1 VAL 65 8.945 -6.084 -24.323 427 HG12 VAL 65 2HG1 VAL 65 7.922 -5.630 -25.688 428 HG13 VAL 65 3HG1 VAL 65 9.034 -4.453 -24.988 429 HG21 VAL 65 1HG2 VAL 65 5.237 -4.240 -23.870 430 HG22 VAL 65 2HG2 VAL 65 6.269 -3.407 -25.033 431 HG23 VAL 65 3HG2 VAL 65 5.796 -5.082 -25.315 432 H PHE 66 H PHE 66 7.655 -4.922 -20.648 433 HA PHE 66 HA PHE 66 4.901 -4.572 -19.670 434 HB2 PHE 66 2HB PHE 66 7.408 -4.572 -17.988 435 HB3 PHE 66 3HB PHE 66 5.741 -4.713 -17.439 436 HD1 PHE 66 HD1 PHE 66 8.677 -6.475 -18.254 437 HD2 PHE 66 HD2 PHE 66 4.433 -6.785 -18.323 438 HE1 PHE 66 HE1 PHE 66 8.862 -8.926 -18.344 439 HE2 PHE 66 HE2 PHE 66 4.611 -9.238 -18.412 440 HZ PHE 66 HZ PHE 66 6.827 -10.311 -18.422 441 H VAL 67 H VAL 67 4.138 -2.581 -19.354 442 HA VAL 67 HA VAL 67 6.055 -0.344 -19.261 443 HB VAL 67 HB VAL 67 4.469 1.040 -20.508 444 HG11 VAL 67 1HG1 VAL 67 5.794 -1.321 -21.596 445 HG12 VAL 67 2HG1 VAL 67 4.500 -0.703 -22.625 446 HG13 VAL 67 3HG1 VAL 67 5.828 0.354 -22.147 447 HG21 VAL 67 1HG2 VAL 67 2.841 -1.490 -20.592 448 HG22 VAL 67 2HG2 VAL 67 2.368 0.088 -19.963 449 HG23 VAL 67 3HG2 VAL 67 2.579 -0.142 -21.699 450 H VAL 68 H VAL 68 5.628 1.296 -17.836 451 HA VAL 68 HA VAL 68 3.300 0.909 -16.068 452 HB VAL 68 HB VAL 68 5.967 2.109 -15.308 453 HG11 VAL 68 1HG1 VAL 68 3.583 1.348 -13.623 454 HG12 VAL 68 2HG1 VAL 68 5.116 1.986 -13.024 455 HG13 VAL 68 3HG1 VAL 68 4.075 2.990 -14.034 456 HG21 VAL 68 1HG2 VAL 68 6.720 0.037 -15.042 457 HG22 VAL 68 2HG2 VAL 68 5.449 -0.249 -13.854 458 HG23 VAL 68 3HG2 VAL 68 5.169 -0.627 -15.554 459 H PHE 69 H PHE 69 1.836 2.458 -16.258 460 HA PHE 69 HA PHE 69 2.475 4.971 -17.519 461 HB2 PHE 69 2HB PHE 69 -0.093 3.862 -16.375 462 HB3 PHE 69 3HB PHE 69 0.029 5.442 -17.141 463 HD1 PHE 69 HD1 PHE 69 0.600 1.826 -17.763 464 HD2 PHE 69 HD2 PHE 69 -0.216 5.653 -19.439 465 HE1 PHE 69 HE1 PHE 69 0.235 0.782 -19.961 466 HE2 PHE 69 HE2 PHE 69 -0.583 4.615 -21.639 467 HZ PHE 69 HZ PHE 69 -0.359 2.176 -21.902 468 H ASN 70 H ASN 70 2.450 6.998 -16.597 469 HA ASN 70 HA ASN 70 2.968 7.070 -13.747 470 HB2 ASN 70 2HB ASN 70 4.488 8.376 -14.986 471 HB3 ASN 70 3HB ASN 70 3.211 9.081 -15.973 472 HD21 ASN 70 1HD2 ASN 70 3.731 11.183 -15.541 473 HD22 ASN 70 2HD2 ASN 70 3.526 11.910 -13.988 474 H SER 71 H SER 71 0.664 8.508 -16.030 475 HA SER 71 HA SER 71 -0.847 9.755 -13.909 476 HB2 SER 71 2HB SER 71 -2.135 9.548 -16.542 477 HB3 SER 71 3HB SER 71 -1.812 10.972 -15.553 478 HG SER 71 HG SER 71 -0.630 10.841 -17.587 479 H SER 72 H SER 72 -2.604 8.979 -12.911 480 HA SER 72 HA SER 72 -3.272 6.254 -13.067 481 HB2 SER 72 2HB SER 72 -5.198 8.275 -11.969 482 HB3 SER 72 3HB SER 72 -4.797 6.670 -11.357 483 HG SER 72 HG SER 72 -3.849 8.892 -10.472 484 H GLU 73 H GLU 73 -5.019 9.132 -14.218 485 HA GLU 73 HA GLU 73 -7.246 7.868 -15.285 486 HB2 GLU 73 2HB GLU 73 -6.520 10.424 -15.091 487 HB3 GLU 73 3HB GLU 73 -6.094 10.171 -16.778 488 HG2 GLU 73 2HG GLU 73 -8.747 9.183 -16.026 489 HG3 GLU 73 3HG GLU 73 -8.539 10.928 -15.891 490 H GLU 74 H GLU 74 -4.317 8.873 -17.062 491 HA GLU 74 HA GLU 74 -4.990 7.630 -19.479 492 HB2 GLU 74 2HB GLU 74 -2.880 9.179 -18.529 493 HB3 GLU 74 3HB GLU 74 -2.126 7.659 -18.989 494 HG2 GLU 74 2HG GLU 74 -2.131 9.323 -20.798 495 HG3 GLU 74 3HG GLU 74 -2.988 7.842 -21.221 496 H ALA 75 H ALA 75 -3.321 6.421 -16.629 497 HA ALA 75 HA ALA 75 -2.290 4.044 -17.646 498 HB1 ALA 75 1HB ALA 75 -2.376 3.220 -15.317 499 HB2 ALA 75 2HB ALA 75 -1.688 4.839 -15.449 500 HB3 ALA 75 3HB ALA 75 -3.345 4.628 -14.882 501 H GLU 76 H GLU 76 -5.409 4.536 -15.980 502 HA GLU 76 HA GLU 76 -6.348 1.912 -16.404 503 HB2 GLU 76 2HB GLU 76 -7.764 4.503 -15.798 504 HB3 GLU 76 3HB GLU 76 -8.621 2.976 -15.953 505 HG2 GLU 76 2HG GLU 76 -6.346 2.812 -14.153 506 HG3 GLU 76 3HG GLU 76 -7.541 4.006 -13.649 507 H ALA 77 H ALA 77 -6.675 4.887 -18.265 508 HA ALA 77 HA ALA 77 -8.608 4.104 -20.098 509 HB1 ALA 77 1HB ALA 77 -7.837 5.859 -21.497 510 HB2 ALA 77 2HB ALA 77 -7.601 6.393 -19.833 511 HB3 ALA 77 3HB ALA 77 -6.228 5.816 -20.777 512 H PHE 78 H PHE 78 -5.077 3.720 -20.297 513 HA PHE 78 HA PHE 78 -5.155 2.339 -22.789 514 HB2 PHE 78 2HB PHE 78 -3.064 2.906 -20.731 515 HB3 PHE 78 3HB PHE 78 -2.749 1.658 -21.931 516 HD1 PHE 78 HD1 PHE 78 -1.513 2.342 -23.726 517 HD2 PHE 78 HD2 PHE 78 -4.183 5.107 -21.899 518 HE1 PHE 78 HE1 PHE 78 -0.824 4.067 -25.339 519 HE2 PHE 78 HE2 PHE 78 -3.500 6.837 -23.510 520 HZ PHE 78 HZ PHE 78 -1.819 6.318 -25.233 521 H GLN 79 H GLN 79 -5.093 1.354 -19.413 522 HA GLN 79 HA GLN 79 -4.523 -1.350 -19.706 523 HB2 GLN 79 2HB GLN 79 -5.574 0.372 -17.651 524 HB3 GLN 79 3HB GLN 79 -6.447 -1.155 -17.658 525 HG2 GLN 79 2HG GLN 79 -4.616 -2.369 -17.050 526 HG3 GLN 79 3HG GLN 79 -3.482 -1.233 -17.779 527 HE21 GLN 79 1HE2 GLN 79 -2.604 -1.916 -15.515 528 HE22 GLN 79 2HE2 GLN 79 -2.951 -0.798 -14.244 529 H LYS 80 H LYS 80 -7.668 0.298 -19.794 530 HA LYS 80 HA LYS 80 -9.275 -1.966 -20.112 531 HB2 LYS 80 2HB LYS 80 -10.149 0.277 -19.586 532 HB3 LYS 80 3HB LYS 80 -9.728 0.817 -21.206 533 HG2 LYS 80 2HG LYS 80 -11.281 -0.926 -22.100 534 HG3 LYS 80 3HG LYS 80 -11.797 -1.228 -20.439 535 HD2 LYS 80 2HD LYS 80 -13.234 0.460 -20.591 536 HD3 LYS 80 3HD LYS 80 -11.890 1.571 -20.869 537 HE2 LYS 80 2HE LYS 80 -12.027 1.254 -23.232 538 HE3 LYS 80 3HE LYS 80 -13.183 -0.063 -23.045 539 HZ1 LYS 80 1HZ LYS 80 -14.751 1.469 -23.288 540 HZ2 LYS 80 2HZ LYS 80 -13.651 2.746 -23.153 541 HZ3 LYS 80 3HZ LYS 80 -14.331 2.066 -21.761 542 H ALA 81 H ALA 81 -8.477 0.341 -22.712 543 HA ALA 81 HA ALA 81 -8.310 -1.947 -24.561 544 HB1 ALA 81 1HB ALA 81 -9.098 0.074 -26.191 545 HB2 ALA 81 2HB ALA 81 -10.187 -1.107 -25.463 546 HB3 ALA 81 3HB ALA 81 -9.965 0.471 -24.707 547 HA PRO 82 HA PRO 82 -4.436 -0.428 -25.951 548 HB2 PRO 82 2HB PRO 82 -4.536 -0.923 -28.618 549 HB3 PRO 82 3HB PRO 82 -4.371 -2.202 -27.409 550 HG2 PRO 82 2HG PRO 82 -6.819 -1.270 -28.858 551 HG3 PRO 82 3HG PRO 82 -6.290 -2.926 -28.505 552 HD2 PRO 82 2HD PRO 82 -8.188 -1.660 -27.046 553 HD3 PRO 82 3HD PRO 82 -7.074 -2.849 -26.339 554 HA PRO 83 HA PRO 83 -4.626 3.670 -27.531 555 HB2 PRO 83 2HB PRO 83 -2.360 3.849 -29.015 556 HB3 PRO 83 3HB PRO 83 -2.349 3.794 -27.248 557 HG2 PRO 83 2HG PRO 83 -1.854 1.592 -29.215 558 HG3 PRO 83 3HG PRO 83 -0.982 1.972 -27.719 559 HD2 PRO 83 2HD PRO 83 -2.832 0.001 -27.865 560 HD3 PRO 83 3HD PRO 83 -2.562 0.949 -26.389 561 H MET 84 H MET 84 -4.011 1.156 -29.935 562 HA MET 84 HA MET 84 -4.721 0.879 -32.077 563 HB2 MET 84 2HB MET 84 -6.830 2.283 -30.734 564 HB3 MET 84 3HB MET 84 -6.718 2.861 -32.391 565 HG2 MET 84 2HG MET 84 -6.517 0.062 -32.509 566 HG3 MET 84 3HG MET 84 -7.831 0.429 -31.394 567 HE1 MET 84 1HE MET 84 -10.193 2.626 -33.526 568 HE2 MET 84 2HE MET 84 -9.527 2.327 -31.920 569 HE3 MET 84 3HE MET 84 -8.709 3.435 -33.022 570 H TYR 85 H TYR 85 -2.908 1.592 -33.143 571 HA TYR 85 HA TYR 85 -2.962 4.397 -34.050 572 HB2 TYR 85 2HB TYR 85 -0.955 3.161 -32.612 573 HB3 TYR 85 3HB TYR 85 -0.377 3.044 -34.271 574 HD1 TYR 85 HD1 TYR 85 0.310 4.823 -31.598 575 HD2 TYR 85 HD2 TYR 85 -1.326 5.538 -35.461 576 HE1 TYR 85 HE1 TYR 85 1.082 7.155 -31.487 577 HE2 TYR 85 HE2 TYR 85 -0.557 7.872 -35.360 578 HH TYR 85 HH TYR 85 1.035 9.240 -34.227 579 H ASP 86 H ASP 86 -3.230 4.693 -36.156 580 HA ASP 86 HA ASP 86 -3.714 2.670 -37.983 581 HB2 ASP 86 2HB ASP 86 -3.345 5.564 -38.080 582 HB3 ASP 86 3HB ASP 86 -2.807 4.764 -39.554 583 H ASP 87 H ASP 87 -0.709 4.458 -37.397 584 HA ASP 87 HA ASP 87 0.851 3.452 -39.443 585 HB2 ASP 87 2HB ASP 87 1.552 4.277 -36.631 586 HB3 ASP 87 3HB ASP 87 2.781 3.769 -37.785 587 H VAL 88 H VAL 88 0.813 2.193 -36.102 588 HA VAL 88 HA VAL 88 1.264 -0.498 -37.202 589 HB VAL 88 HB VAL 88 2.641 0.587 -34.742 590 HG11 VAL 88 1HG1 VAL 88 2.264 -1.769 -34.547 591 HG12 VAL 88 2HG1 VAL 88 2.838 -2.048 -36.193 592 HG13 VAL 88 3HG1 VAL 88 3.964 -1.518 -34.943 593 HG21 VAL 88 1HG2 VAL 88 4.700 0.190 -36.264 594 HG22 VAL 88 2HG2 VAL 88 3.538 0.315 -37.585 595 HG23 VAL 88 3HG2 VAL 88 3.754 1.664 -36.469 596 H GLN 89 H GLN 89 -0.084 -1.993 -36.431 597 HA GLN 89 HA GLN 89 -2.191 -1.328 -34.683 598 HB2 GLN 89 2HB GLN 89 -1.605 -3.420 -36.421 599 HB3 GLN 89 3HB GLN 89 -1.672 -4.184 -34.839 600 HG2 GLN 89 2HG GLN 89 -3.896 -2.960 -34.545 601 HG3 GLN 89 3HG GLN 89 -3.821 -2.683 -36.285 602 HE21 GLN 89 1HE2 GLN 89 -5.544 -4.368 -34.430 603 HE22 GLN 89 2HE2 GLN 89 -5.559 -5.923 -35.182 604 H LEU 90 H LEU 90 -2.222 -1.192 -32.546 605 HA LEU 90 HA LEU 90 -0.043 -2.427 -31.019 606 HB2 LEU 90 2HB LEU 90 -1.473 0.062 -30.852 607 HB3 LEU 90 3HB LEU 90 -1.597 -0.817 -29.329 608 HG LEU 90 HG LEU 90 0.263 0.780 -29.332 609 HD11 LEU 90 1HD1 LEU 90 2.001 -0.760 -28.569 610 HD12 LEU 90 2HD1 LEU 90 1.131 -2.107 -29.302 611 HD13 LEU 90 3HD1 LEU 90 0.413 -1.222 -27.957 612 HD21 LEU 90 1HD2 LEU 90 1.260 -0.894 -31.632 613 HD22 LEU 90 2HD2 LEU 90 2.255 0.257 -30.738 614 HD23 LEU 90 3HD2 LEU 90 0.855 0.823 -31.651 615 H THR 91 H THR 91 -0.400 -3.877 -29.405 616 HA THR 91 HA THR 91 -3.193 -4.658 -28.885 617 HB THR 91 HB THR 91 -1.063 -6.745 -28.796 618 HG1 THR 91 HG1 THR 91 -2.183 -5.620 -31.149 619 HG21 THR 91 1HG2 THR 91 -3.071 -7.648 -28.137 620 HG22 THR 91 2HG2 THR 91 -3.144 -7.958 -29.872 621 HG23 THR 91 3HG2 THR 91 -4.015 -6.589 -29.183 622 H ALA 92 H ALA 92 -3.483 -3.880 -26.870 623 HA ALA 92 HA ALA 92 -1.462 -4.542 -24.832 624 HB1 ALA 92 1HB ALA 92 -1.630 -2.448 -24.125 625 HB2 ALA 92 2HB ALA 92 -2.778 -2.110 -25.422 626 HB3 ALA 92 3HB ALA 92 -3.360 -2.660 -23.850 627 H GLU 93 H GLU 93 -2.059 -5.570 -22.955 628 HA GLU 93 HA GLU 93 -4.809 -6.626 -22.897 629 HB2 GLU 93 2HB GLU 93 -2.166 -7.875 -22.344 630 HB3 GLU 93 3HB GLU 93 -3.528 -8.395 -21.362 631 HG2 GLU 93 2HG GLU 93 -4.027 -8.305 -24.255 632 HG3 GLU 93 3HG GLU 93 -2.843 -9.498 -23.723 633 H MET 94 H MET 94 -5.523 -7.280 -20.649 634 HA MET 94 HA MET 94 -4.830 -5.111 -18.794 635 HB2 MET 94 2HB MET 94 -7.276 -5.847 -19.692 636 HB3 MET 94 3HB MET 94 -7.178 -6.815 -18.227 637 HG2 MET 94 2HG MET 94 -6.693 -4.774 -16.941 638 HG3 MET 94 3HG MET 94 -6.878 -3.828 -18.417 639 HE1 MET 94 1HE MET 94 -8.183 -2.908 -16.151 640 HE2 MET 94 2HE MET 94 -9.942 -3.033 -16.120 641 HE3 MET 94 3HE MET 94 -8.958 -4.219 -15.260 642 H LYS 95 H LYS 95 -4.710 -5.592 -16.506 643 HA LYS 95 HA LYS 95 -3.026 -7.771 -15.933 644 HB2 LYS 95 2HB LYS 95 -3.340 -7.118 -13.561 645 HB3 LYS 95 3HB LYS 95 -2.937 -5.757 -14.599 646 HG2 LYS 95 2HG LYS 95 -5.477 -5.366 -14.715 647 HG3 LYS 95 3HG LYS 95 -5.551 -6.428 -13.307 648 HD2 LYS 95 2HD LYS 95 -4.534 -4.913 -11.941 649 HD3 LYS 95 3HD LYS 95 -3.571 -4.219 -13.248 650 HE2 LYS 95 2HE LYS 95 -5.597 -3.126 -14.123 651 HE3 LYS 95 3HE LYS 95 -6.519 -3.785 -12.773 652 HZ1 LYS 95 1HZ LYS 95 -4.170 -2.003 -12.445 653 HZ2 LYS 95 2HZ LYS 95 -5.254 -2.499 -11.245 654 HZ3 LYS 95 3HZ LYS 95 -5.770 -1.451 -12.469 655 H THR 96 H THR 96 -6.488 -7.275 -15.455 656 HA THR 96 HA THR 96 -7.058 -9.511 -13.897 657 HB THR 96 HB THR 96 -8.832 -8.316 -16.036 658 HG1 THR 96 HG1 THR 96 -9.358 -6.807 -14.581 659 HG21 THR 96 1HG2 THR 96 -9.366 -10.092 -13.665 660 HG22 THR 96 2HG2 THR 96 -9.793 -10.363 -15.354 661 HG23 THR 96 3HG2 THR 96 -10.629 -9.122 -14.421 662 H THR 97 H THR 97 -6.915 -9.190 -17.427 663 HA THR 97 HA THR 97 -7.790 -11.724 -18.143 664 HB THR 97 HB THR 97 -5.533 -10.629 -19.724 665 HG1 THR 97 HG1 THR 97 -6.795 -8.878 -20.444 666 HG21 THR 97 1HG2 THR 97 -7.838 -12.260 -20.116 667 HG22 THR 97 2HG2 THR 97 -6.549 -11.882 -21.259 668 HG23 THR 97 3HG2 THR 97 -7.971 -10.844 -21.158 669 H TYR 98 H TYR 98 -4.396 -10.670 -17.796 670 HA TYR 98 HA TYR 98 -3.192 -13.139 -18.137 671 HB2 TYR 98 2HB TYR 98 -2.426 -10.580 -16.867 672 HB3 TYR 98 3HB TYR 98 -1.499 -11.990 -16.365 673 HD1 TYR 98 HD1 TYR 98 0.562 -11.916 -17.410 674 HD2 TYR 98 HD2 TYR 98 -2.920 -10.987 -19.673 675 HE1 TYR 98 HE1 TYR 98 1.937 -11.738 -19.442 676 HE2 TYR 98 HE2 TYR 98 -1.555 -10.807 -21.711 677 HH TYR 98 HH TYR 98 0.881 -11.923 -22.399 678 H LEU 99 H LEU 99 -4.311 -11.627 -15.124 679 HA LEU 99 HA LEU 99 -3.471 -13.554 -13.321 680 HB2 LEU 99 2HB LEU 99 -4.665 -11.266 -12.980 681 HB3 LEU 99 3HB LEU 99 -6.136 -12.235 -13.012 682 HG LEU 99 HG LEU 99 -4.612 -13.570 -11.173 683 HD11 LEU 99 1HD1 LEU 99 -3.779 -10.728 -11.244 684 HD12 LEU 99 2HD1 LEU 99 -2.881 -12.164 -10.752 685 HD13 LEU 99 3HD1 LEU 99 -4.070 -11.452 -9.662 686 HD21 LEU 99 1HD2 LEU 99 -6.291 -11.332 -10.193 687 HD22 LEU 99 2HD2 LEU 99 -6.295 -13.037 -9.741 688 HD23 LEU 99 3HD2 LEU 99 -7.053 -12.522 -11.249 689 H GLU 100 H GLU 100 -6.460 -13.432 -15.221 690 HA GLU 100 HA GLU 100 -7.617 -15.763 -14.114 691 HB2 GLU 100 2HB GLU 100 -8.438 -13.799 -15.865 692 HB3 GLU 100 3HB GLU 100 -8.329 -15.216 -16.900 693 HG2 GLU 100 2HG GLU 100 -9.696 -16.393 -15.064 694 HG3 GLU 100 3HG GLU 100 -10.067 -14.761 -14.511 695 H ARG 101 H ARG 101 -5.497 -15.205 -16.874 696 HA ARG 101 HA ARG 101 -5.647 -17.756 -18.026 697 HB2 ARG 101 2HB ARG 101 -4.052 -15.382 -18.342 698 HB3 ARG 101 3HB ARG 101 -3.019 -16.804 -18.403 699 HG2 ARG 101 2HG ARG 101 -3.571 -16.657 -20.597 700 HG3 ARG 101 3HG ARG 101 -4.913 -17.659 -20.040 701 HD2 ARG 101 2HD ARG 101 -6.357 -16.118 -20.721 702 HD3 ARG 101 3HD ARG 101 -5.618 -14.939 -19.638 703 HE ARG 101 HE ARG 101 -4.544 -14.004 -21.436 704 HH11 ARG 101 1HH1 ARG 101 -5.828 -17.110 -22.344 705 HH12 ARG 101 2HH1 ARG 101 -5.485 -16.905 -24.030 706 HH21 ARG 101 1HH2 ARG 101 -4.088 -13.722 -23.654 707 HH22 ARG 101 2HH2 ARG 101 -4.495 -14.978 -24.773 708 H LYS 102 H LYS 102 -3.159 -16.441 -15.833 709 HA LYS 102 HA LYS 102 -1.757 -18.838 -15.477 710 HB2 LYS 102 2HB LYS 102 -0.833 -17.761 -13.442 711 HB3 LYS 102 3HB LYS 102 -0.771 -16.721 -14.858 712 HG2 LYS 102 2HG LYS 102 -2.872 -15.633 -14.041 713 HG3 LYS 102 3HG LYS 102 -2.692 -16.561 -12.551 714 HD2 LYS 102 2HD LYS 102 -0.620 -14.668 -13.659 715 HD3 LYS 102 3HD LYS 102 -1.781 -14.259 -12.394 716 HE2 LYS 102 2HE LYS 102 -0.535 -16.674 -11.629 717 HE3 LYS 102 3HE LYS 102 0.742 -15.585 -12.169 718 HZ1 LYS 102 1HZ LYS 102 -0.772 -13.964 -10.657 719 HZ2 LYS 102 2HZ LYS 102 0.598 -14.785 -10.100 720 HZ3 LYS 102 3HZ LYS 102 -0.942 -15.431 -9.830 721 H ALA 103 H ALA 103 -4.440 -17.429 -13.649 722 HA ALA 103 HA ALA 103 -4.527 -19.237 -11.533 723 HB1 ALA 103 1HB ALA 103 -6.907 -17.927 -12.838 724 HB2 ALA 103 2HB ALA 103 -6.791 -18.520 -11.181 725 HB3 ALA 103 3HB ALA 103 -5.833 -17.130 -11.689 726 H GLU 104 H GLU 104 -6.058 -19.412 -14.729 727 HA GLU 104 HA GLU 104 -7.413 -21.860 -14.236 728 HB2 GLU 104 2HB GLU 104 -7.166 -19.981 -16.390 729 HB3 GLU 104 3HB GLU 104 -6.922 -21.607 -17.012 730 HG2 GLU 104 2HG GLU 104 -9.200 -21.307 -15.188 731 HG3 GLU 104 3HG GLU 104 -9.331 -20.424 -16.708 732 H GLU 105 H GLU 105 -4.276 -21.032 -15.608 733 HA GLU 105 HA GLU 105 -3.576 -23.531 -16.641 734 HB2 GLU 105 2HB GLU 105 -2.267 -21.574 -17.163 735 HB3 GLU 105 3HB GLU 105 -1.849 -21.347 -15.471 736 HG2 GLU 105 2HG GLU 105 -0.603 -23.461 -15.511 737 HG3 GLU 105 3HG GLU 105 -0.989 -23.639 -17.222 738 H ILE 106 H ILE 106 -2.804 -22.139 -13.452 739 HA ILE 106 HA ILE 106 -1.573 -24.474 -12.442 740 HB ILE 106 HB ILE 106 -1.200 -22.256 -11.455 741 HG12 ILE 106 2HG1 ILE 106 -2.415 -23.665 -9.165 742 HG13 ILE 106 3HG1 ILE 106 -1.336 -24.645 -10.153 743 HG21 ILE 106 1HG2 ILE 106 -2.878 -21.215 -10.039 744 HG22 ILE 106 2HG2 ILE 106 -3.489 -21.406 -11.681 745 HG23 ILE 106 3HG2 ILE 106 -4.017 -22.508 -10.410 746 HD11 ILE 106 1HD1 ILE 106 -0.709 -22.143 -8.629 747 HD12 ILE 106 2HD1 ILE 106 0.005 -23.747 -8.461 748 HD13 ILE 106 3HD1 ILE 106 0.353 -22.771 -9.888 749 H ALA 107 H ALA 107 -4.890 -23.342 -12.483 750 HA ALA 107 HA ALA 107 -6.004 -25.027 -10.561 751 HB1 ALA 107 1HB ALA 107 -7.757 -23.799 -11.143 752 HB2 ALA 107 2HB ALA 107 -6.956 -23.286 -12.629 753 HB3 ALA 107 3HB ALA 107 -7.907 -24.771 -12.607 754 H ALA 108 H ALA 108 -5.245 -25.608 -13.954 755 HA ALA 108 HA ALA 108 -6.547 -28.107 -14.178 756 HB1 ALA 108 1HB ALA 108 -4.165 -27.115 -15.738 757 HB2 ALA 108 2HB ALA 108 -5.276 -28.401 -16.211 758 HB3 ALA 108 3HB ALA 108 -5.848 -26.736 -16.108 759 H LYS 109 H LYS 109 -3.172 -27.243 -13.473 760 HA LYS 109 HA LYS 109 -2.222 -29.888 -13.243 761 HB2 LYS 109 2HB LYS 109 -1.185 -27.321 -12.030 762 HB3 LYS 109 3HB LYS 109 -0.311 -28.848 -12.021 763 HG2 LYS 109 2HG LYS 109 -1.169 -28.150 -14.687 764 HG3 LYS 109 3HG LYS 109 -0.203 -26.864 -13.960 765 HD2 LYS 109 2HD LYS 109 1.432 -28.184 -14.910 766 HD3 LYS 109 3HD LYS 109 1.370 -28.833 -13.270 767 HE2 LYS 109 2HE LYS 109 -0.545 -30.299 -14.595 768 HE3 LYS 109 3HE LYS 109 0.712 -30.096 -15.815 769 HZ1 LYS 109 1HZ LYS 109 1.055 -32.092 -14.491 770 HZ2 LYS 109 2HZ LYS 109 1.131 -31.168 -13.077 771 HZ3 LYS 109 3HZ LYS 109 2.323 -30.995 -14.265 772 H LYS 110 H LYS 110 -3.044 -27.524 -10.701 773 HA LYS 110 HA LYS 110 -3.062 -29.647 -8.711 774 HB2 LYS 110 2HB LYS 110 -3.262 -26.651 -8.590 775 HB3 LYS 110 3HB LYS 110 -3.680 -27.637 -7.194 776 HG2 LYS 110 2HG LYS 110 -1.489 -27.189 -6.748 777 HG3 LYS 110 3HG LYS 110 -1.327 -28.705 -7.637 778 HD2 LYS 110 2HD LYS 110 -1.174 -27.092 -9.710 779 HD3 LYS 110 3HD LYS 110 -0.679 -25.921 -8.485 780 HE2 LYS 110 2HE LYS 110 0.607 -28.607 -8.503 781 HE3 LYS 110 3HE LYS 110 1.083 -27.435 -9.731 782 HZ1 LYS 110 1HZ LYS 110 1.335 -27.213 -6.793 783 HZ2 LYS 110 2HZ LYS 110 1.421 -25.854 -7.796 784 HZ3 LYS 110 3HZ LYS 110 2.551 -27.102 -7.964 Start of MODEL 11 1 H1 THR 12 H THR 12 0.633 1.995 0.683 2 HA THR 12 HA THR 12 1.590 2.192 -1.448 3 HB THR 12 HB THR 12 2.026 -0.738 -1.348 4 HG1 THR 12 HG1 THR 12 2.051 -0.504 0.819 5 HG21 THR 12 1HG2 THR 12 3.321 1.499 -2.400 6 HG22 THR 12 2HG2 THR 12 3.936 -0.153 -2.345 7 HG23 THR 12 3HG2 THR 12 4.332 0.979 -1.053 8 H ASP 13 H ASP 13 1.346 1.948 -3.634 9 HA ASP 13 HA ASP 13 -0.684 0.034 -4.565 10 HB2 ASP 13 2HB ASP 13 -0.476 2.794 -5.741 11 HB3 ASP 13 3HB ASP 13 -1.803 1.642 -5.860 12 H HIS 14 H HIS 14 -0.175 -1.052 -6.380 13 HA HIS 14 HA HIS 14 2.177 -0.151 -7.907 14 HB2 HIS 14 2HB HIS 14 2.797 -2.527 -8.212 15 HB3 HIS 14 3HB HIS 14 2.836 -2.037 -6.520 16 HD1 HIS 14 HD1 HIS 14 1.278 -4.436 -8.832 17 HD2 HIS 14 HD2 HIS 14 0.650 -3.071 -4.958 18 HE1 HIS 14 HE1 HIS 14 -0.278 -6.105 -7.775 19 H GLN 15 H GLN 15 1.896 -0.004 -10.043 20 HA GLN 15 HA GLN 15 -0.380 -1.419 -11.258 21 HB2 GLN 15 2HB GLN 15 -0.901 0.522 -12.609 22 HB3 GLN 15 3HB GLN 15 -0.936 0.967 -10.908 23 HG2 GLN 15 2HG GLN 15 1.583 1.621 -11.426 24 HG3 GLN 15 3HG GLN 15 0.927 1.797 -13.052 25 HE21 GLN 15 1HE2 GLN 15 1.900 3.709 -10.911 26 HE22 GLN 15 2HE2 GLN 15 0.645 4.892 -10.807 27 H THR 16 H THR 16 0.040 -2.450 -13.121 28 HA THR 16 HA THR 16 2.379 -1.729 -14.702 29 HB THR 16 HB THR 16 2.193 -4.634 -14.255 30 HG1 THR 16 HG1 THR 16 3.354 -4.420 -12.230 31 HG21 THR 16 1HG2 THR 16 4.354 -2.564 -14.508 32 HG22 THR 16 2HG2 THR 16 3.993 -3.925 -15.570 33 HG23 THR 16 3HG2 THR 16 4.720 -4.208 -13.990 34 H VAL 17 H VAL 17 1.969 -1.900 -16.815 35 HA VAL 17 HA VAL 17 -0.424 -3.408 -17.635 36 HB VAL 17 HB VAL 17 0.917 -1.152 -19.129 37 HG11 VAL 17 1HG1 VAL 17 -0.281 -2.516 -20.648 38 HG12 VAL 17 2HG1 VAL 17 -1.647 -2.672 -19.542 39 HG13 VAL 17 3HG1 VAL 17 -1.311 -1.124 -20.317 40 HG21 VAL 17 1HG2 VAL 17 0.039 0.118 -17.490 41 HG22 VAL 17 2HG2 VAL 17 -1.477 -0.157 -18.347 42 HG23 VAL 17 3HG2 VAL 17 -1.061 -1.152 -16.952 43 H TYR 18 H TYR 18 -0.354 -4.736 -19.448 44 HA TYR 18 HA TYR 18 2.358 -5.480 -20.322 45 HB2 TYR 18 2HB TYR 18 -0.093 -7.239 -20.427 46 HB3 TYR 18 3HB TYR 18 1.587 -7.721 -20.634 47 HD1 TYR 18 HD1 TYR 18 3.024 -8.071 -18.729 48 HD2 TYR 18 HD2 TYR 18 -0.981 -6.737 -18.199 49 HE1 TYR 18 HE1 TYR 18 3.177 -8.587 -16.329 50 HE2 TYR 18 HE2 TYR 18 -0.839 -7.248 -15.797 51 HH TYR 18 HH TYR 18 2.181 -8.248 -14.306 52 H VAL 19 H VAL 19 2.869 -5.281 -22.406 53 HA VAL 19 HA VAL 19 0.695 -5.007 -24.372 54 HB VAL 19 HB VAL 19 3.236 -3.377 -24.420 55 HG11 VAL 19 1HG1 VAL 19 0.964 -3.757 -26.253 56 HG12 VAL 19 2HG1 VAL 19 1.465 -2.085 -25.997 57 HG13 VAL 19 3HG1 VAL 19 2.626 -3.274 -26.587 58 HG21 VAL 19 1HG2 VAL 19 1.795 -1.462 -23.820 59 HG22 VAL 19 2HG2 VAL 19 0.458 -2.580 -23.551 60 HG23 VAL 19 3HG2 VAL 19 1.897 -2.666 -22.536 61 H LYS 20 H LYS 20 1.107 -5.804 -26.433 62 HA LYS 20 HA LYS 20 2.641 -8.084 -26.675 63 HB2 LYS 20 2HB LYS 20 2.461 -7.635 -29.193 64 HB3 LYS 20 3HB LYS 20 0.961 -7.779 -28.286 65 HG2 LYS 20 2HG LYS 20 0.390 -5.623 -28.622 66 HG3 LYS 20 3HG LYS 20 2.060 -5.055 -28.557 67 HD2 LYS 20 2HD LYS 20 1.597 -6.748 -30.860 68 HD3 LYS 20 3HD LYS 20 0.492 -5.372 -30.832 69 HE2 LYS 20 2HE LYS 20 2.415 -3.863 -30.549 70 HE3 LYS 20 3HE LYS 20 3.500 -5.250 -30.632 71 HZ1 LYS 20 1HZ LYS 20 3.011 -3.851 -32.745 72 HZ2 LYS 20 2HZ LYS 20 1.600 -4.780 -32.823 73 HZ3 LYS 20 3HZ LYS 20 3.113 -5.536 -32.859 74 HA PRO 21 HA PRO 21 6.814 -6.888 -27.315 75 HB2 PRO 21 2HB PRO 21 7.646 -8.732 -29.125 76 HB3 PRO 21 3HB PRO 21 7.324 -9.125 -27.432 77 HG2 PRO 21 2HG PRO 21 5.585 -9.530 -29.834 78 HG3 PRO 21 3HG PRO 21 5.891 -10.629 -28.476 79 HD2 PRO 21 2HD PRO 21 3.649 -9.120 -28.653 80 HD3 PRO 21 3HD PRO 21 4.394 -9.545 -27.099 81 H VAL 22 H VAL 22 8.403 -6.202 -28.960 82 HA VAL 22 HA VAL 22 7.049 -4.949 -31.255 83 HB VAL 22 HB VAL 22 9.087 -3.423 -31.262 84 HG11 VAL 22 1HG1 VAL 22 6.686 -3.141 -30.123 85 HG12 VAL 22 2HG1 VAL 22 7.698 -3.003 -28.684 86 HG13 VAL 22 3HG1 VAL 22 7.936 -1.900 -30.040 87 HG21 VAL 22 1HG2 VAL 22 10.392 -3.247 -29.258 88 HG22 VAL 22 2HG2 VAL 22 9.426 -4.490 -28.462 89 HG23 VAL 22 3HG2 VAL 22 10.466 -4.917 -29.821 90 HA PRO 23 HA PRO 23 9.451 -7.226 -34.138 91 HB2 PRO 23 2HB PRO 23 9.799 -5.394 -36.110 92 HB3 PRO 23 3HB PRO 23 8.248 -6.179 -35.791 93 HG2 PRO 23 2HG PRO 23 9.207 -3.469 -34.954 94 HG3 PRO 23 3HG PRO 23 7.622 -3.948 -35.589 95 HD2 PRO 23 2HD PRO 23 8.075 -3.554 -32.949 96 HD3 PRO 23 3HD PRO 23 6.906 -4.747 -33.550 97 HA PRO 24 HA PRO 24 13.761 -6.441 -33.767 98 HB2 PRO 24 2HB PRO 24 14.727 -7.231 -36.178 99 HB3 PRO 24 3HB PRO 24 14.129 -8.367 -34.963 100 HG2 PRO 24 2HG PRO 24 12.745 -7.283 -37.386 101 HG3 PRO 24 3HG PRO 24 12.769 -8.942 -36.760 102 HD2 PRO 24 2HD PRO 24 10.687 -7.259 -36.350 103 HD3 PRO 24 3HD PRO 24 11.160 -8.498 -35.170 104 H THR 25 H THR 25 11.987 -4.877 -36.284 105 HA THR 25 HA THR 25 14.168 -3.171 -37.116 106 HB THR 25 HB THR 25 11.713 -2.070 -37.986 107 HG1 THR 25 HG1 THR 25 10.436 -3.747 -38.075 108 HG21 THR 25 1HG2 THR 25 14.025 -3.511 -39.168 109 HG22 THR 25 2HG2 THR 25 13.384 -1.909 -39.532 110 HG23 THR 25 3HG2 THR 25 12.577 -3.345 -40.160 111 H ALA 26 H ALA 26 11.237 -2.889 -35.157 112 HA ALA 26 HA ALA 26 11.300 -0.133 -34.700 113 HB1 ALA 26 1HB ALA 26 9.910 -0.589 -32.746 114 HB2 ALA 26 2HB ALA 26 9.382 -1.535 -34.137 115 HB3 ALA 26 3HB ALA 26 10.313 -2.303 -32.852 116 H THR 27 H THR 27 12.956 0.989 -33.920 117 HA THR 27 HA THR 27 14.849 -0.226 -32.086 118 HB THR 27 HB THR 27 16.214 1.706 -32.397 119 HG1 THR 27 HG1 THR 27 15.315 3.501 -33.677 120 HG21 THR 27 1HG2 THR 27 16.438 1.810 -34.832 121 HG22 THR 27 2HG2 THR 27 14.846 1.074 -35.015 122 HG23 THR 27 3HG2 THR 27 16.165 0.153 -34.294 123 H LEU 28 H LEU 28 15.657 1.359 -30.288 124 HA LEU 28 HA LEU 28 13.526 1.644 -28.437 125 HB2 LEU 28 2HB LEU 28 16.180 1.332 -28.189 126 HB3 LEU 28 3HB LEU 28 16.066 3.072 -27.934 127 HG LEU 28 HG LEU 28 14.145 1.570 -26.340 128 HD11 LEU 28 1HD1 LEU 28 15.577 0.401 -24.928 129 HD12 LEU 28 2HD1 LEU 28 17.014 1.207 -25.557 130 HD13 LEU 28 3HD1 LEU 28 16.174 0.008 -26.541 131 HD21 LEU 28 1HD2 LEU 28 16.227 3.684 -25.891 132 HD22 LEU 28 2HD2 LEU 28 15.352 2.946 -24.550 133 HD23 LEU 28 3HD2 LEU 28 14.471 3.823 -25.802 134 H GLU 29 H GLU 29 15.436 3.956 -30.320 135 HA GLU 29 HA GLU 29 14.326 6.296 -29.215 136 HB2 GLU 29 2HB GLU 29 16.390 5.905 -30.817 137 HB3 GLU 29 3HB GLU 29 15.200 6.225 -32.070 138 HG2 GLU 29 2HG GLU 29 14.756 8.397 -31.203 139 HG3 GLU 29 3HG GLU 29 15.716 8.077 -29.760 140 H GLN 30 H GLN 30 13.391 4.312 -31.986 141 HA GLN 30 HA GLN 30 11.345 6.009 -32.935 142 HB2 GLN 30 2HB GLN 30 12.492 3.967 -34.065 143 HB3 GLN 30 3HB GLN 30 11.256 3.025 -33.243 144 HG2 GLN 30 2HG GLN 30 9.585 3.799 -34.562 145 HG3 GLN 30 3HG GLN 30 10.350 5.369 -34.802 146 HE21 GLN 30 1HE2 GLN 30 11.008 1.953 -35.521 147 HE22 GLN 30 2HE2 GLN 30 11.531 2.220 -37.146 148 H LEU 31 H LEU 31 11.297 3.232 -30.730 149 HA LEU 31 HA LEU 31 8.526 3.102 -30.351 150 HB2 LEU 31 2HB LEU 31 10.720 1.721 -29.438 151 HB3 LEU 31 3HB LEU 31 10.103 2.484 -27.974 152 HG LEU 31 HG LEU 31 8.573 0.632 -29.801 153 HD11 LEU 31 1HD1 LEU 31 10.395 0.097 -27.724 154 HD12 LEU 31 2HD1 LEU 31 9.327 -1.035 -28.553 155 HD13 LEU 31 3HD1 LEU 31 8.783 -0.225 -27.084 156 HD21 LEU 31 1HD2 LEU 31 7.039 2.220 -28.906 157 HD22 LEU 31 2HD2 LEU 31 7.764 2.107 -27.301 158 HD23 LEU 31 3HD2 LEU 31 6.871 0.738 -27.965 159 H THR 32 H THR 32 11.001 4.715 -28.358 160 HA THR 32 HA THR 32 9.264 5.856 -26.493 161 HB THR 32 HB THR 32 11.881 7.029 -27.453 162 HG1 THR 32 HG1 THR 32 12.721 5.316 -26.553 163 HG21 THR 32 1HG2 THR 32 9.982 7.958 -25.577 164 HG22 THR 32 2HG2 THR 32 11.598 8.590 -25.891 165 HG23 THR 32 3HG2 THR 32 11.360 7.350 -24.660 166 H GLU 33 H GLU 33 10.420 7.081 -29.606 167 HA GLU 33 HA GLU 33 9.383 9.667 -29.450 168 HB2 GLU 33 2HB GLU 33 10.950 8.856 -31.202 169 HB3 GLU 33 3HB GLU 33 9.627 7.952 -31.927 170 HG2 GLU 33 2HG GLU 33 8.425 10.035 -32.339 171 HG3 GLU 33 3HG GLU 33 9.748 10.943 -31.610 172 H PHE 34 H PHE 34 7.927 6.811 -31.015 173 HA PHE 34 HA PHE 34 5.492 7.972 -31.688 174 HB2 PHE 34 2HB PHE 34 6.395 5.165 -31.197 175 HB3 PHE 34 3HB PHE 34 4.673 5.481 -31.383 176 HD1 PHE 34 HD1 PHE 34 7.759 6.725 -33.077 177 HD2 PHE 34 HD2 PHE 34 3.925 4.920 -33.471 178 HE1 PHE 34 HE1 PHE 34 8.025 6.702 -35.523 179 HE2 PHE 34 HE2 PHE 34 4.185 4.893 -35.917 180 HZ PHE 34 HZ PHE 34 6.237 5.784 -36.947 181 H PHE 35 H PHE 35 6.479 6.348 -28.706 182 HA PHE 35 HA PHE 35 4.015 6.264 -27.415 183 HB2 PHE 35 2HB PHE 35 6.808 5.991 -26.671 184 HB3 PHE 35 3HB PHE 35 5.877 6.779 -25.401 185 HD1 PHE 35 HD1 PHE 35 3.371 5.543 -25.283 186 HD2 PHE 35 HD2 PHE 35 7.112 3.764 -26.261 187 HE1 PHE 35 HE1 PHE 35 2.518 3.354 -24.550 188 HE2 PHE 35 HE2 PHE 35 6.265 1.573 -25.530 189 HZ PHE 35 HZ PHE 35 3.965 1.366 -24.674 190 H SER 36 H SER 36 6.543 8.763 -27.145 191 HA SER 36 HA SER 36 5.118 10.507 -25.492 192 HB2 SER 36 2HB SER 36 7.595 10.532 -26.912 193 HB3 SER 36 3HB SER 36 6.759 12.051 -27.238 194 HG SER 36 HG SER 36 6.620 12.406 -25.022 195 H LYS 37 H LYS 37 5.091 10.094 -28.975 196 HA LYS 37 HA LYS 37 3.719 12.449 -29.663 197 HB2 LYS 37 2HB LYS 37 4.874 10.520 -31.104 198 HB3 LYS 37 3HB LYS 37 3.209 9.964 -31.220 199 HG2 LYS 37 2HG LYS 37 2.841 12.537 -31.840 200 HG3 LYS 37 3HG LYS 37 4.505 12.342 -32.396 201 HD2 LYS 37 2HD LYS 37 2.320 10.421 -33.158 202 HD3 LYS 37 3HD LYS 37 2.658 11.882 -34.089 203 HE2 LYS 37 2HE LYS 37 5.140 10.890 -33.909 204 HE3 LYS 37 3HE LYS 37 4.225 9.386 -33.821 205 HZ1 LYS 37 1HZ LYS 37 4.938 10.358 -36.108 206 HZ2 LYS 37 2HZ LYS 37 3.569 11.333 -35.919 207 HZ3 LYS 37 3HZ LYS 37 3.413 9.648 -35.930 208 H HIS 38 H HIS 38 2.601 9.310 -28.555 209 HA HIS 38 HA HIS 38 -0.052 10.455 -28.127 210 HB2 HIS 38 2HB HIS 38 0.316 8.928 -30.325 211 HB3 HIS 38 3HB HIS 38 -0.055 7.674 -29.145 212 HD1 HIS 38 HD1 HIS 38 -1.629 10.102 -31.335 213 HD2 HIS 38 HD2 HIS 38 -2.641 8.125 -27.824 214 HE1 HIS 38 HE1 HIS 38 -4.126 10.323 -31.135 215 H GLY 39 H GLY 39 -0.301 10.278 -25.996 216 HA2 GLY 39 2HA GLY 39 -0.855 8.983 -24.093 217 HA3 GLY 39 3HA GLY 39 0.050 7.640 -24.775 218 H THR 40 H THR 40 0.115 9.075 -22.116 219 HA THR 40 HA THR 40 2.965 9.821 -22.119 220 HB THR 40 HB THR 40 1.278 10.464 -19.761 221 HG1 THR 40 HG1 THR 40 1.157 11.993 -22.165 222 HG21 THR 40 1HG2 THR 40 3.518 11.160 -19.605 223 HG22 THR 40 2HG2 THR 40 2.630 12.622 -20.035 224 HG23 THR 40 3HG2 THR 40 3.541 11.748 -21.266 225 H VAL 41 H VAL 41 4.228 8.223 -21.441 226 HA VAL 41 HA VAL 41 3.231 6.441 -19.316 227 HB VAL 41 HB VAL 41 4.873 4.780 -20.130 228 HG11 VAL 41 1HG1 VAL 41 2.869 4.199 -21.010 229 HG12 VAL 41 2HG1 VAL 41 2.610 5.781 -21.748 230 HG13 VAL 41 3HG1 VAL 41 3.680 4.611 -22.520 231 HG21 VAL 41 1HG2 VAL 41 6.425 5.221 -21.676 232 HG22 VAL 41 2HG2 VAL 41 5.265 6.024 -22.734 233 HG23 VAL 41 3HG2 VAL 41 6.028 6.920 -21.421 234 H GLN 42 H GLN 42 4.583 5.915 -17.595 235 HA GLN 42 HA GLN 42 6.477 7.948 -16.879 236 HB2 GLN 42 2HB GLN 42 4.875 6.760 -15.299 237 HB3 GLN 42 3HB GLN 42 5.956 5.376 -15.394 238 HG2 GLN 42 2HG GLN 42 7.739 6.603 -14.407 239 HG3 GLN 42 3HG GLN 42 6.838 8.113 -14.521 240 HE21 GLN 42 1HE2 GLN 42 7.035 8.474 -12.308 241 HE22 GLN 42 2HE2 GLN 42 6.115 7.582 -11.149 242 H ALA 43 H ALA 43 6.699 4.421 -17.343 243 HA ALA 43 HA ALA 43 9.316 4.685 -18.518 244 HB1 ALA 43 1HB ALA 43 10.415 4.541 -16.570 245 HB2 ALA 43 2HB ALA 43 9.001 3.939 -15.703 246 HB3 ALA 43 3HB ALA 43 9.995 2.829 -16.647 247 H VAL 44 H VAL 44 10.211 2.512 -19.131 248 HA VAL 44 HA VAL 44 8.239 0.373 -19.293 249 HB VAL 44 HB VAL 44 7.754 1.677 -21.290 250 HG11 VAL 44 1HG1 VAL 44 10.538 2.104 -21.321 251 HG12 VAL 44 2HG1 VAL 44 10.139 1.236 -22.805 252 HG13 VAL 44 3HG1 VAL 44 9.327 2.756 -22.425 253 HG21 VAL 44 1HG2 VAL 44 7.721 -0.836 -21.322 254 HG22 VAL 44 2HG2 VAL 44 7.897 -0.070 -22.900 255 HG23 VAL 44 3HG2 VAL 44 9.302 -0.776 -22.102 256 H TRP 45 H TRP 45 9.126 -1.654 -19.566 257 HA TRP 45 HA TRP 45 11.878 -2.022 -20.294 258 HB2 TRP 45 2HB TRP 45 11.174 -1.709 -17.500 259 HB3 TRP 45 3HB TRP 45 11.863 -3.301 -17.804 260 HD1 TRP 45 HD1 TRP 45 14.232 -2.964 -19.559 261 HE1 TRP 45 HE1 TRP 45 16.225 -1.429 -19.011 262 HE3 TRP 45 HE3 TRP 45 11.946 0.180 -16.238 263 HZ2 TRP 45 HZ2 TRP 45 16.757 0.816 -17.386 264 HZ3 TRP 45 HZ3 TRP 45 13.268 1.995 -15.231 265 HH2 TRP 45 HH2 TRP 45 15.623 2.304 -15.794 266 H ARG 46 H ARG 46 12.511 -4.409 -19.898 267 HA ARG 46 HA ARG 46 10.323 -6.278 -19.768 268 HB2 ARG 46 2HB ARG 46 10.742 -7.229 -22.025 269 HB3 ARG 46 3HB ARG 46 10.071 -5.604 -22.071 270 HG2 ARG 46 2HG ARG 46 13.025 -5.932 -22.185 271 HG3 ARG 46 3HG ARG 46 12.066 -6.295 -23.622 272 HD2 ARG 46 2HD ARG 46 11.236 -3.813 -22.398 273 HD3 ARG 46 3HD ARG 46 12.957 -3.793 -22.780 274 HE ARG 46 HE ARG 46 10.761 -3.804 -24.644 275 HH11 ARG 46 1HH1 ARG 46 14.139 -4.498 -24.169 276 HH12 ARG 46 2HH1 ARG 46 14.540 -4.350 -25.848 277 HH21 ARG 46 1HH2 ARG 46 11.275 -3.607 -26.857 278 HH22 ARG 46 2HH2 ARG 46 12.910 -3.843 -27.376 279 H ARG 47 H ARG 47 10.992 -8.338 -19.295 280 HA ARG 47 HA ARG 47 13.845 -8.955 -19.449 281 HB2 ARG 47 2HB ARG 47 14.008 -9.615 -17.155 282 HB3 ARG 47 3HB ARG 47 13.359 -7.981 -17.191 283 HG2 ARG 47 2HG ARG 47 11.076 -9.433 -17.189 284 HG3 ARG 47 3HG ARG 47 12.144 -10.476 -16.248 285 HD2 ARG 47 2HD ARG 47 12.584 -8.741 -14.678 286 HD3 ARG 47 3HD ARG 47 11.792 -7.538 -15.696 287 HE ARG 47 HE ARG 47 9.858 -9.403 -15.153 288 HH11 ARG 47 1HH1 ARG 47 11.937 -7.341 -13.271 289 HH12 ARG 47 2HH1 ARG 47 10.814 -7.186 -11.960 290 HH21 ARG 47 1HH2 ARG 47 8.371 -9.207 -13.434 291 HH22 ARG 47 2HH2 ARG 47 8.787 -8.249 -12.054 292 H TYR 48 H TYR 48 14.306 -11.249 -19.125 293 HA TYR 48 HA TYR 48 12.025 -13.053 -19.326 294 HB2 TYR 48 2HB TYR 48 12.987 -14.173 -21.322 295 HB3 TYR 48 3HB TYR 48 12.472 -12.522 -21.648 296 HD1 TYR 48 HD1 TYR 48 15.212 -14.846 -21.702 297 HD2 TYR 48 HD2 TYR 48 14.230 -10.707 -21.749 298 HE1 TYR 48 HE1 TYR 48 17.449 -14.332 -22.587 299 HE2 TYR 48 HE2 TYR 48 16.463 -10.181 -22.635 300 HH TYR 48 HH TYR 48 18.889 -11.579 -22.455 301 H PHE 49 H PHE 49 12.355 -14.779 -18.096 302 HA PHE 49 HA PHE 49 14.957 -15.239 -16.929 303 HB2 PHE 49 2HB PHE 49 12.260 -15.756 -16.192 304 HB3 PHE 49 3HB PHE 49 13.101 -17.302 -16.243 305 HD1 PHE 49 HD1 PHE 49 13.800 -17.989 -14.179 306 HD2 PHE 49 HD2 PHE 49 13.988 -13.846 -15.137 307 HE1 PHE 49 HE1 PHE 49 14.783 -17.526 -11.971 308 HE2 PHE 49 HE2 PHE 49 14.972 -13.377 -12.931 309 HZ PHE 49 HZ PHE 49 15.372 -15.218 -11.345 310 H ALA 50 H ALA 50 16.442 -16.478 -17.843 311 HA ALA 50 HA ALA 50 15.803 -18.254 -20.010 312 HB1 ALA 50 1HB ALA 50 18.024 -16.823 -19.324 313 HB2 ALA 50 2HB ALA 50 18.491 -18.465 -18.879 314 HB3 ALA 50 3HB ALA 50 17.976 -18.112 -20.528 315 H GLY 51 H GLY 51 16.490 -18.559 -16.596 316 HA2 GLY 51 2HA GLY 51 16.014 -20.366 -15.216 317 HA3 GLY 51 3HA GLY 51 15.585 -21.303 -16.639 318 H LYS 52 H LYS 52 17.798 -20.966 -14.187 319 HA LYS 52 HA LYS 52 19.685 -22.724 -15.584 320 HB2 LYS 52 2HB LYS 52 20.359 -20.165 -15.288 321 HB3 LYS 52 3HB LYS 52 20.805 -20.722 -13.681 322 HG2 LYS 52 2HG LYS 52 22.777 -20.959 -14.839 323 HG3 LYS 52 3HG LYS 52 22.088 -22.580 -14.960 324 HD2 LYS 52 2HD LYS 52 21.387 -22.219 -17.189 325 HD3 LYS 52 3HD LYS 52 21.664 -20.480 -17.073 326 HE2 LYS 52 2HE LYS 52 23.874 -20.676 -17.473 327 HE3 LYS 52 3HE LYS 52 24.015 -22.166 -16.542 328 HZ1 LYS 52 1HZ LYS 52 24.277 -23.075 -18.561 329 HZ2 LYS 52 2HZ LYS 52 23.528 -21.794 -19.372 330 HZ3 LYS 52 3HZ LYS 52 22.589 -22.996 -18.641 331 H LYS 53 H LYS 53 17.854 -23.827 -14.038 332 HA LYS 53 HA LYS 53 19.399 -24.813 -11.791 333 HB2 LYS 53 2HB LYS 53 17.620 -24.476 -10.156 334 HB3 LYS 53 3HB LYS 53 18.152 -22.935 -10.815 335 HG2 LYS 53 2HG LYS 53 15.866 -24.219 -12.169 336 HG3 LYS 53 3HG LYS 53 15.581 -23.609 -10.537 337 HD2 LYS 53 2HD LYS 53 16.076 -21.412 -11.143 338 HD3 LYS 53 3HD LYS 53 16.939 -21.909 -12.601 339 HE2 LYS 53 2HE LYS 53 14.896 -21.028 -13.361 340 HE3 LYS 53 3HE LYS 53 14.703 -22.779 -13.441 341 HZ1 LYS 53 1HZ LYS 53 13.433 -20.847 -11.647 342 HZ2 LYS 53 2HZ LYS 53 13.752 -22.393 -11.039 343 HZ3 LYS 53 3HZ LYS 53 12.775 -22.207 -12.408 344 H ASP 54 H ASP 54 17.994 -26.574 -10.620 345 HA ASP 54 HA ASP 54 16.947 -28.294 -12.745 346 HB2 ASP 54 2HB ASP 54 17.908 -28.888 -9.943 347 HB3 ASP 54 3HB ASP 54 17.164 -30.096 -10.987 348 H ALA 55 H ALA 55 15.416 -26.081 -11.527 349 HA ALA 55 HA ALA 55 13.233 -27.620 -10.282 350 HB1 ALA 55 1HB ALA 55 14.479 -25.280 -9.423 351 HB2 ALA 55 2HB ALA 55 12.918 -24.762 -10.061 352 HB3 ALA 55 3HB ALA 55 12.991 -25.987 -8.794 353 HA PRO 56 HA PRO 56 10.523 -26.817 -13.638 354 HB2 PRO 56 2HB PRO 56 8.167 -26.326 -12.383 355 HB3 PRO 56 3HB PRO 56 8.894 -27.935 -12.466 356 HG2 PRO 56 2HG PRO 56 8.952 -25.944 -10.231 357 HG3 PRO 56 3HG PRO 56 8.698 -27.697 -10.161 358 HD2 PRO 56 2HD PRO 56 11.081 -26.546 -9.587 359 HD3 PRO 56 3HD PRO 56 10.951 -28.156 -10.323 360 HA PRO 57 HA PRO 57 10.022 -22.534 -14.499 361 HB2 PRO 57 2HB PRO 57 7.721 -22.476 -15.939 362 HB3 PRO 57 3HB PRO 57 9.234 -23.131 -16.574 363 HG2 PRO 57 2HG PRO 57 6.885 -24.577 -15.411 364 HG3 PRO 57 3HG PRO 57 7.848 -24.978 -16.845 365 HD2 PRO 57 2HD PRO 57 8.205 -26.208 -14.459 366 HD3 PRO 57 3HD PRO 57 9.537 -25.930 -15.598 367 H GLU 58 H GLU 58 9.683 -21.628 -12.454 368 HA GLU 58 HA GLU 58 6.940 -21.481 -11.456 369 HB2 GLU 58 2HB GLU 58 9.152 -21.943 -10.072 370 HB3 GLU 58 3HB GLU 58 9.230 -20.187 -10.047 371 HG2 GLU 58 2HG GLU 58 8.143 -20.962 -8.058 372 HG3 GLU 58 3HG GLU 58 6.969 -20.127 -9.074 373 H SER 59 H SER 59 9.525 -19.441 -12.688 374 HA SER 59 HA SER 59 8.018 -17.008 -12.269 375 HB2 SER 59 2HB SER 59 10.456 -17.130 -14.004 376 HB3 SER 59 3HB SER 59 9.935 -15.862 -12.895 377 HG SER 59 HG SER 59 11.245 -18.285 -12.345 378 H ARG 60 H ARG 60 7.758 -15.478 -14.157 379 HA ARG 60 HA ARG 60 6.663 -16.977 -16.439 380 HB2 ARG 60 2HB ARG 60 5.969 -14.172 -15.557 381 HB3 ARG 60 3HB ARG 60 5.157 -15.119 -16.796 382 HG2 ARG 60 2HG ARG 60 5.257 -15.849 -13.877 383 HG3 ARG 60 3HG ARG 60 3.918 -15.012 -14.664 384 HD2 ARG 60 2HD ARG 60 3.356 -16.879 -15.954 385 HD3 ARG 60 3HD ARG 60 4.922 -17.646 -15.687 386 HE ARG 60 HE ARG 60 3.400 -17.296 -13.279 387 HH11 ARG 60 1HH1 ARG 60 3.941 -19.348 -16.038 388 HH12 ARG 60 2HH1 ARG 60 3.362 -20.779 -15.252 389 HH21 ARG 60 1HH2 ARG 60 2.634 -19.172 -12.233 390 HH22 ARG 60 2HH2 ARG 60 2.618 -20.677 -13.087 391 H THR 61 H THR 61 8.010 -16.989 -18.113 392 HA THR 61 HA THR 61 9.531 -14.536 -18.712 393 HB THR 61 HB THR 61 11.097 -16.265 -18.270 394 HG1 THR 61 HG1 THR 61 11.315 -15.022 -20.319 395 HG21 THR 61 1HG2 THR 61 9.067 -17.959 -19.440 396 HG22 THR 61 2HG2 THR 61 10.422 -18.389 -18.395 397 HG23 THR 61 3HG2 THR 61 10.651 -18.288 -20.141 398 H LYS 62 H LYS 62 8.419 -13.436 -20.209 399 HA LYS 62 HA LYS 62 7.744 -14.831 -22.698 400 HB2 LYS 62 2HB LYS 62 5.657 -13.311 -22.766 401 HB3 LYS 62 3HB LYS 62 5.610 -14.750 -21.756 402 HG2 LYS 62 2HG LYS 62 6.551 -12.293 -20.435 403 HG3 LYS 62 3HG LYS 62 4.856 -12.308 -20.929 404 HD2 LYS 62 2HD LYS 62 5.950 -14.684 -19.504 405 HD3 LYS 62 3HD LYS 62 5.605 -13.225 -18.572 406 HE2 LYS 62 2HE LYS 62 3.509 -13.987 -18.450 407 HE3 LYS 62 3HE LYS 62 3.363 -13.501 -20.138 408 HZ1 LYS 62 1HZ LYS 62 3.559 -15.638 -20.869 409 HZ2 LYS 62 2HZ LYS 62 2.801 -15.924 -19.384 410 HZ3 LYS 62 3HZ LYS 62 4.470 -16.148 -19.537 411 HA PRO 63 HA PRO 63 9.569 -11.394 -24.728 412 HB2 PRO 63 2HB PRO 63 8.054 -11.202 -26.972 413 HB3 PRO 63 3HB PRO 63 9.214 -12.509 -26.705 414 HG2 PRO 63 2HG PRO 63 6.245 -12.506 -26.326 415 HG3 PRO 63 3HG PRO 63 7.279 -13.750 -27.052 416 HD2 PRO 63 2HD PRO 63 6.352 -13.925 -24.514 417 HD3 PRO 63 3HD PRO 63 7.925 -14.587 -25.004 418 H SER 64 H SER 64 6.245 -11.291 -23.817 419 HA SER 64 HA SER 64 5.400 -8.822 -24.716 420 HB2 SER 64 2HB SER 64 4.766 -9.722 -21.919 421 HB3 SER 64 3HB SER 64 3.718 -8.924 -23.091 422 HG SER 64 HG SER 64 3.078 -10.856 -23.581 423 H VAL 65 H VAL 65 5.411 -6.727 -23.839 424 HA VAL 65 HA VAL 65 7.735 -6.179 -22.123 425 HB VAL 65 HB VAL 65 7.601 -3.861 -23.000 426 HG11 VAL 65 1HG1 VAL 65 9.103 -5.495 -24.019 427 HG12 VAL 65 2HG1 VAL 65 7.816 -6.001 -25.116 428 HG13 VAL 65 3HG1 VAL 65 8.477 -4.368 -25.222 429 HG21 VAL 65 1HG2 VAL 65 5.119 -4.110 -23.563 430 HG22 VAL 65 2HG2 VAL 65 6.127 -3.223 -24.707 431 HG23 VAL 65 3HG2 VAL 65 5.663 -4.890 -25.049 432 H PHE 66 H PHE 66 7.575 -4.694 -20.410 433 HA PHE 66 HA PHE 66 4.833 -4.342 -19.399 434 HB2 PHE 66 2HB PHE 66 7.365 -4.272 -17.756 435 HB3 PHE 66 3HB PHE 66 5.708 -4.416 -17.178 436 HD1 PHE 66 HD1 PHE 66 8.649 -6.166 -18.095 437 HD2 PHE 66 HD2 PHE 66 4.413 -6.527 -17.884 438 HE1 PHE 66 HE1 PHE 66 8.860 -8.617 -18.123 439 HE2 PHE 66 HE2 PHE 66 4.617 -8.978 -17.910 440 HZ PHE 66 HZ PHE 66 6.842 -10.027 -18.029 441 H VAL 67 H VAL 67 4.054 -2.350 -19.157 442 HA VAL 67 HA VAL 67 5.949 -0.095 -19.118 443 HB VAL 67 HB VAL 67 4.339 1.238 -20.409 444 HG11 VAL 67 1HG1 VAL 67 5.699 -1.148 -21.451 445 HG12 VAL 67 2HG1 VAL 67 4.476 -0.458 -22.519 446 HG13 VAL 67 3HG1 VAL 67 5.817 0.539 -21.953 447 HG21 VAL 67 1HG2 VAL 67 2.788 -1.335 -20.429 448 HG22 VAL 67 2HG2 VAL 67 2.250 0.269 -19.929 449 HG23 VAL 67 3HG2 VAL 67 2.532 -0.074 -21.636 450 H VAL 68 H VAL 68 5.473 1.604 -17.769 451 HA VAL 68 HA VAL 68 3.104 1.276 -16.044 452 HB VAL 68 HB VAL 68 5.791 2.368 -15.199 453 HG11 VAL 68 1HG1 VAL 68 3.986 1.545 -13.097 454 HG12 VAL 68 2HG1 VAL 68 4.818 3.084 -13.329 455 HG13 VAL 68 3HG1 VAL 68 3.266 2.792 -14.114 456 HG21 VAL 68 1HG2 VAL 68 4.672 -0.349 -15.214 457 HG22 VAL 68 2HG2 VAL 68 6.351 0.188 -15.162 458 HG23 VAL 68 3HG2 VAL 68 5.390 0.157 -13.684 459 H PHE 69 H PHE 69 1.702 2.862 -16.375 460 HA PHE 69 HA PHE 69 2.534 5.374 -17.538 461 HB2 PHE 69 2HB PHE 69 -0.199 4.429 -16.646 462 HB3 PHE 69 3HB PHE 69 0.124 5.901 -17.556 463 HD1 PHE 69 HD1 PHE 69 0.280 2.213 -17.699 464 HD2 PHE 69 HD2 PHE 69 0.372 5.859 -19.893 465 HE1 PHE 69 HE1 PHE 69 0.090 0.948 -19.801 466 HE2 PHE 69 HE2 PHE 69 0.181 4.600 -21.999 467 HZ PHE 69 HZ PHE 69 0.038 2.142 -21.955 468 H ASN 70 H ASN 70 2.460 7.382 -16.582 469 HA ASN 70 HA ASN 70 2.671 7.394 -13.695 470 HB2 ASN 70 2HB ASN 70 4.258 8.660 -15.145 471 HB3 ASN 70 3HB ASN 70 2.925 9.704 -15.633 472 HD21 ASN 70 1HD2 ASN 70 5.525 9.759 -13.843 473 HD22 ASN 70 2HD2 ASN 70 5.014 10.737 -12.513 474 H SER 71 H SER 71 0.545 8.725 -16.180 475 HA SER 71 HA SER 71 -1.105 10.110 -14.266 476 HB2 SER 71 2HB SER 71 -2.136 9.580 -16.999 477 HB3 SER 71 3HB SER 71 -2.124 11.078 -16.068 478 HG SER 71 HG SER 71 0.278 10.930 -16.462 479 H SER 72 H SER 72 -2.734 9.276 -13.149 480 HA SER 72 HA SER 72 -3.403 6.565 -13.185 481 HB2 SER 72 2HB SER 72 -5.191 7.132 -11.659 482 HB3 SER 72 3HB SER 72 -3.794 8.138 -11.276 483 HG SER 72 HG SER 72 -5.907 9.223 -11.414 484 H GLU 73 H GLU 73 -5.186 9.348 -14.506 485 HA GLU 73 HA GLU 73 -7.386 7.999 -15.516 486 HB2 GLU 73 2HB GLU 73 -7.050 10.493 -15.420 487 HB3 GLU 73 3HB GLU 73 -6.039 10.349 -16.851 488 HG2 GLU 73 2HG GLU 73 -8.251 9.057 -17.690 489 HG3 GLU 73 3HG GLU 73 -8.961 10.227 -16.577 490 H GLU 74 H GLU 74 -4.436 8.900 -17.312 491 HA GLU 74 HA GLU 74 -5.084 7.506 -19.658 492 HB2 GLU 74 2HB GLU 74 -3.173 9.255 -19.071 493 HB3 GLU 74 3HB GLU 74 -2.227 7.789 -18.858 494 HG2 GLU 74 2HG GLU 74 -1.807 8.125 -21.046 495 HG3 GLU 74 3HG GLU 74 -3.314 7.226 -21.221 496 H ALA 75 H ALA 75 -3.746 6.445 -16.640 497 HA ALA 75 HA ALA 75 -2.576 4.024 -17.517 498 HB1 ALA 75 1HB ALA 75 -3.352 3.551 -14.917 499 HB2 ALA 75 2HB ALA 75 -1.823 4.265 -15.431 500 HB3 ALA 75 3HB ALA 75 -3.173 5.304 -14.976 501 H GLU 76 H GLU 76 -5.770 4.747 -16.126 502 HA GLU 76 HA GLU 76 -6.709 2.068 -16.304 503 HB2 GLU 76 2HB GLU 76 -7.899 4.720 -15.684 504 HB3 GLU 76 3HB GLU 76 -9.000 3.448 -16.193 505 HG2 GLU 76 2HG GLU 76 -7.026 3.105 -13.956 506 HG3 GLU 76 3HG GLU 76 -8.668 3.699 -13.715 507 H ALA 77 H ALA 77 -6.959 4.902 -18.388 508 HA ALA 77 HA ALA 77 -8.825 3.889 -20.223 509 HB1 ALA 77 1HB ALA 77 -6.640 5.936 -20.538 510 HB2 ALA 77 2HB ALA 77 -7.825 5.575 -21.794 511 HB3 ALA 77 3HB ALA 77 -8.355 6.218 -20.239 512 H PHE 78 H PHE 78 -5.275 3.774 -20.216 513 HA PHE 78 HA PHE 78 -5.079 2.372 -22.686 514 HB2 PHE 78 2HB PHE 78 -3.243 3.285 -20.578 515 HB3 PHE 78 3HB PHE 78 -2.733 1.809 -21.391 516 HD1 PHE 78 HD1 PHE 78 -1.790 1.875 -23.532 517 HD2 PHE 78 HD2 PHE 78 -3.721 5.329 -21.965 518 HE1 PHE 78 HE1 PHE 78 -0.922 3.208 -25.410 519 HE2 PHE 78 HE2 PHE 78 -2.856 6.667 -23.840 520 HZ PHE 78 HZ PHE 78 -1.456 5.607 -25.566 521 H GLN 79 H GLN 79 -5.104 1.391 -19.294 522 HA GLN 79 HA GLN 79 -4.444 -1.301 -19.627 523 HB2 GLN 79 2HB GLN 79 -5.633 0.359 -17.538 524 HB3 GLN 79 3HB GLN 79 -6.228 -1.296 -17.518 525 HG2 GLN 79 2HG GLN 79 -4.076 -2.178 -17.185 526 HG3 GLN 79 3HG GLN 79 -3.300 -0.652 -17.604 527 HE21 GLN 79 1HE2 GLN 79 -2.356 -1.552 -15.415 528 HE22 GLN 79 2HE2 GLN 79 -3.035 -0.819 -14.006 529 H LYS 80 H LYS 80 -7.623 0.280 -19.617 530 HA LYS 80 HA LYS 80 -9.198 -2.004 -19.908 531 HB2 LYS 80 2HB LYS 80 -10.087 0.237 -19.374 532 HB3 LYS 80 3HB LYS 80 -9.722 0.763 -21.012 533 HG2 LYS 80 2HG LYS 80 -11.398 -0.559 -21.942 534 HG3 LYS 80 3HG LYS 80 -11.523 -1.575 -20.504 535 HD2 LYS 80 2HD LYS 80 -13.343 -0.292 -20.108 536 HD3 LYS 80 3HD LYS 80 -12.143 0.812 -19.433 537 HE2 LYS 80 2HE LYS 80 -12.134 1.416 -22.126 538 HE3 LYS 80 3HE LYS 80 -13.834 1.097 -21.784 539 HZ1 LYS 80 1HZ LYS 80 -12.072 3.148 -20.601 540 HZ2 LYS 80 2HZ LYS 80 -13.478 2.649 -19.804 541 HZ3 LYS 80 3HZ LYS 80 -13.579 3.347 -21.342 542 H ALA 81 H ALA 81 -8.459 0.303 -22.527 543 HA ALA 81 HA ALA 81 -8.322 -1.989 -24.375 544 HB1 ALA 81 1HB ALA 81 -9.129 0.369 -25.766 545 HB2 ALA 81 2HB ALA 81 -9.985 -1.163 -25.588 546 HB3 ALA 81 3HB ALA 81 -10.203 0.113 -24.390 547 HA PRO 82 HA PRO 82 -4.466 -0.479 -25.825 548 HB2 PRO 82 2HB PRO 82 -4.608 -0.978 -28.490 549 HB3 PRO 82 3HB PRO 82 -4.427 -2.255 -27.283 550 HG2 PRO 82 2HG PRO 82 -6.895 -1.321 -28.695 551 HG3 PRO 82 3HG PRO 82 -6.364 -2.976 -28.347 552 HD2 PRO 82 2HD PRO 82 -8.237 -1.706 -26.861 553 HD3 PRO 82 3HD PRO 82 -7.115 -2.895 -26.170 554 HA PRO 83 HA PRO 83 -4.673 3.618 -27.408 555 HB2 PRO 83 2HB PRO 83 -2.429 3.789 -28.927 556 HB3 PRO 83 3HB PRO 83 -2.391 3.737 -27.160 557 HG2 PRO 83 2HG PRO 83 -1.931 1.531 -29.131 558 HG3 PRO 83 3HG PRO 83 -1.035 1.912 -27.649 559 HD2 PRO 83 2HD PRO 83 -2.891 -0.056 -27.764 560 HD3 PRO 83 3HD PRO 83 -2.597 0.894 -26.294 561 H MET 84 H MET 84 -4.090 1.102 -29.821 562 HA MET 84 HA MET 84 -4.844 0.820 -31.948 563 HB2 MET 84 2HB MET 84 -6.917 2.270 -30.585 564 HB3 MET 84 3HB MET 84 -6.828 2.805 -32.258 565 HG2 MET 84 2HG MET 84 -6.655 -0.017 -32.255 566 HG3 MET 84 3HG MET 84 -7.988 0.443 -31.198 567 HE1 MET 84 1HE MET 84 -9.394 3.180 -33.000 568 HE2 MET 84 2HE MET 84 -10.605 1.910 -33.174 569 HE3 MET 84 3HE MET 84 -9.663 2.033 -31.688 570 H TYR 85 H TYR 85 -3.038 1.514 -33.041 571 HA TYR 85 HA TYR 85 -3.080 4.315 -33.959 572 HB2 TYR 85 2HB TYR 85 -1.054 3.024 -32.564 573 HB3 TYR 85 3HB TYR 85 -0.506 2.979 -34.236 574 HD1 TYR 85 HD1 TYR 85 0.208 4.655 -31.500 575 HD2 TYR 85 HD2 TYR 85 -1.480 5.511 -35.311 576 HE1 TYR 85 HE1 TYR 85 0.969 6.986 -31.307 577 HE2 TYR 85 HE2 TYR 85 -0.723 7.844 -35.129 578 HH TYR 85 HH TYR 85 -0.168 9.447 -33.136 579 H ASP 86 H ASP 86 -3.364 4.609 -36.064 580 HA ASP 86 HA ASP 86 -3.913 2.600 -37.879 581 HB2 ASP 86 2HB ASP 86 -3.671 5.443 -37.936 582 HB3 ASP 86 3HB ASP 86 -2.815 4.791 -39.331 583 H ASP 87 H ASP 87 -0.846 4.289 -37.325 584 HA ASP 87 HA ASP 87 0.665 3.220 -39.376 585 HB2 ASP 87 2HB ASP 87 1.314 4.976 -37.610 586 HB3 ASP 87 3HB ASP 87 1.785 3.606 -36.608 587 H VAL 88 H VAL 88 0.737 2.000 -36.023 588 HA VAL 88 HA VAL 88 1.035 -0.719 -37.114 589 HB VAL 88 HB VAL 88 2.518 0.391 -34.727 590 HG11 VAL 88 1HG1 VAL 88 1.885 -2.294 -35.534 591 HG12 VAL 88 2HG1 VAL 88 3.631 -2.038 -35.558 592 HG13 VAL 88 3HG1 VAL 88 2.713 -1.727 -34.084 593 HG21 VAL 88 1HG2 VAL 88 4.480 -0.320 -36.337 594 HG22 VAL 88 2HG2 VAL 88 3.264 -0.022 -37.579 595 HG23 VAL 88 3HG2 VAL 88 3.723 1.267 -36.466 596 H GLN 89 H GLN 89 -0.298 -2.197 -36.271 597 HA GLN 89 HA GLN 89 -2.370 -1.449 -34.507 598 HB2 GLN 89 2HB GLN 89 -1.524 -3.896 -35.910 599 HB3 GLN 89 3HB GLN 89 -2.416 -4.173 -34.420 600 HG2 GLN 89 2HG GLN 89 -4.099 -2.471 -35.397 601 HG3 GLN 89 3HG GLN 89 -3.307 -2.825 -36.931 602 HE21 GLN 89 1HE2 GLN 89 -5.203 -3.737 -37.749 603 HE22 GLN 89 2HE2 GLN 89 -5.748 -5.300 -37.256 604 H LEU 90 H LEU 90 -2.331 -1.246 -32.377 605 HA LEU 90 HA LEU 90 -0.167 -2.526 -30.868 606 HB2 LEU 90 2HB LEU 90 -1.480 0.016 -30.739 607 HB3 LEU 90 3HB LEU 90 -1.668 -0.822 -29.200 608 HG LEU 90 HG LEU 90 0.258 0.617 -29.102 609 HD11 LEU 90 1HD1 LEU 90 1.769 -0.886 -28.209 610 HD12 LEU 90 2HD1 LEU 90 1.436 -2.110 -29.434 611 HD13 LEU 90 3HD1 LEU 90 0.259 -1.795 -28.159 612 HD21 LEU 90 1HD2 LEU 90 1.190 -0.866 -31.555 613 HD22 LEU 90 2HD2 LEU 90 2.198 0.221 -30.599 614 HD23 LEU 90 3HD2 LEU 90 0.776 0.844 -31.437 615 H THR 91 H THR 91 -0.534 -3.972 -29.264 616 HA THR 91 HA THR 91 -3.339 -4.635 -28.650 617 HB THR 91 HB THR 91 -1.334 -6.821 -28.535 618 HG1 THR 91 HG1 THR 91 -1.468 -7.165 -30.766 619 HG21 THR 91 1HG2 THR 91 -3.756 -7.054 -27.929 620 HG22 THR 91 2HG2 THR 91 -3.204 -8.175 -29.174 621 HG23 THR 91 3HG2 THR 91 -4.147 -6.754 -29.622 622 H ALA 92 H ALA 92 -3.598 -3.910 -26.624 623 HA ALA 92 HA ALA 92 -1.530 -4.584 -24.635 624 HB1 ALA 92 1HB ALA 92 -1.630 -2.488 -23.920 625 HB2 ALA 92 2HB ALA 92 -2.771 -2.118 -25.214 626 HB3 ALA 92 3HB ALA 92 -3.365 -2.639 -23.637 627 H GLU 93 H GLU 93 -2.109 -5.583 -22.737 628 HA GLU 93 HA GLU 93 -4.879 -6.580 -22.617 629 HB2 GLU 93 2HB GLU 93 -2.248 -7.857 -22.056 630 HB3 GLU 93 3HB GLU 93 -3.617 -8.342 -21.066 631 HG2 GLU 93 2HG GLU 93 -3.696 -8.371 -24.066 632 HG3 GLU 93 3HG GLU 93 -3.147 -9.745 -23.108 633 H MET 94 H MET 94 -5.578 -7.178 -20.348 634 HA MET 94 HA MET 94 -4.841 -4.978 -18.550 635 HB2 MET 94 2HB MET 94 -7.279 -5.518 -19.369 636 HB3 MET 94 3HB MET 94 -7.222 -6.735 -18.101 637 HG2 MET 94 2HG MET 94 -6.754 -5.019 -16.448 638 HG3 MET 94 3HG MET 94 -6.754 -3.789 -17.710 639 HE1 MET 94 1HE MET 94 -9.312 -2.311 -16.425 640 HE2 MET 94 2HE MET 94 -8.208 -2.354 -17.799 641 HE3 MET 94 3HE MET 94 -9.944 -2.541 -18.056 642 H LYS 95 H LYS 95 -4.610 -5.389 -16.280 643 HA LYS 95 HA LYS 95 -2.940 -7.545 -15.669 644 HB2 LYS 95 2HB LYS 95 -3.232 -6.862 -13.312 645 HB3 LYS 95 3HB LYS 95 -2.893 -5.498 -14.370 646 HG2 LYS 95 2HG LYS 95 -5.435 -5.175 -14.443 647 HG3 LYS 95 3HG LYS 95 -5.471 -6.250 -13.044 648 HD2 LYS 95 2HD LYS 95 -4.394 -4.738 -11.685 649 HD3 LYS 95 3HD LYS 95 -3.594 -3.932 -13.037 650 HE2 LYS 95 2HE LYS 95 -5.453 -2.666 -13.554 651 HE3 LYS 95 3HE LYS 95 -6.567 -3.803 -12.796 652 HZ1 LYS 95 1HZ LYS 95 -6.356 -1.784 -11.496 653 HZ2 LYS 95 2HZ LYS 95 -4.685 -2.008 -11.362 654 HZ3 LYS 95 3HZ LYS 95 -5.745 -3.105 -10.631 655 H THR 96 H THR 96 -6.409 -7.107 -15.207 656 HA THR 96 HA THR 96 -6.886 -9.386 -13.636 657 HB THR 96 HB THR 96 -8.995 -8.632 -15.570 658 HG1 THR 96 HG1 THR 96 -8.337 -6.818 -13.492 659 HG21 THR 96 1HG2 THR 96 -8.801 -9.834 -13.030 660 HG22 THR 96 2HG2 THR 96 -10.265 -9.481 -13.949 661 HG23 THR 96 3HG2 THR 96 -9.641 -8.302 -12.795 662 H THR 97 H THR 97 -6.999 -8.923 -17.155 663 HA THR 97 HA THR 97 -7.878 -11.459 -17.884 664 HB THR 97 HB THR 97 -5.827 -10.290 -19.655 665 HG1 THR 97 HG1 THR 97 -7.604 -8.635 -20.169 666 HG21 THR 97 1HG2 THR 97 -7.129 -11.187 -21.248 667 HG22 THR 97 2HG2 THR 97 -8.596 -10.485 -20.567 668 HG23 THR 97 3HG2 THR 97 -7.961 -11.999 -19.922 669 H TYR 98 H TYR 98 -4.499 -10.305 -17.850 670 HA TYR 98 HA TYR 98 -3.265 -12.722 -18.385 671 HB2 TYR 98 2HB TYR 98 -2.468 -10.128 -17.370 672 HB3 TYR 98 3HB TYR 98 -1.554 -11.417 -16.595 673 HD1 TYR 98 HD1 TYR 98 -2.850 -11.173 -20.083 674 HD2 TYR 98 HD2 TYR 98 0.565 -11.342 -17.550 675 HE1 TYR 98 HE1 TYR 98 -1.397 -11.325 -22.062 676 HE2 TYR 98 HE2 TYR 98 2.027 -11.493 -19.522 677 HH TYR 98 HH TYR 98 0.802 -12.060 -22.679 678 H LEU 99 H LEU 99 -4.067 -11.320 -15.218 679 HA LEU 99 HA LEU 99 -3.002 -13.260 -13.569 680 HB2 LEU 99 2HB LEU 99 -3.880 -11.261 -12.631 681 HB3 LEU 99 3HB LEU 99 -5.487 -11.591 -13.276 682 HG LEU 99 HG LEU 99 -4.374 -13.550 -11.347 683 HD11 LEU 99 1HD1 LEU 99 -4.898 -10.702 -10.719 684 HD12 LEU 99 2HD1 LEU 99 -3.787 -11.846 -9.967 685 HD13 LEU 99 3HD1 LEU 99 -5.508 -11.912 -9.590 686 HD21 LEU 99 1HD2 LEU 99 -6.906 -12.800 -12.478 687 HD22 LEU 99 2HD2 LEU 99 -6.981 -12.742 -10.716 688 HD23 LEU 99 3HD2 LEU 99 -6.481 -14.226 -11.530 689 H GLU 100 H GLU 100 -6.220 -13.196 -15.073 690 HA GLU 100 HA GLU 100 -7.131 -15.618 -13.955 691 HB2 GLU 100 2HB GLU 100 -8.143 -13.642 -15.696 692 HB3 GLU 100 3HB GLU 100 -8.272 -15.169 -16.557 693 HG2 GLU 100 2HG GLU 100 -9.471 -16.124 -14.630 694 HG3 GLU 100 3HG GLU 100 -9.397 -14.552 -13.835 695 H ARG 101 H ARG 101 -5.367 -14.877 -16.914 696 HA ARG 101 HA ARG 101 -5.548 -17.382 -18.150 697 HB2 ARG 101 2HB ARG 101 -4.361 -14.969 -18.747 698 HB3 ARG 101 3HB ARG 101 -2.978 -16.032 -18.522 699 HG2 ARG 101 2HG ARG 101 -3.549 -16.054 -20.829 700 HG3 ARG 101 3HG ARG 101 -4.020 -17.611 -20.146 701 HD2 ARG 101 2HD ARG 101 -6.195 -17.263 -20.562 702 HD3 ARG 101 3HD ARG 101 -6.122 -15.587 -20.021 703 HE ARG 101 HE ARG 101 -5.827 -14.929 -22.198 704 HH11 ARG 101 1HH1 ARG 101 -5.330 -18.365 -21.952 705 HH12 ARG 101 2HH1 ARG 101 -5.260 -18.610 -23.666 706 HH21 ARG 101 1HH2 ARG 101 -5.737 -15.237 -24.456 707 HH22 ARG 101 2HH2 ARG 101 -5.490 -16.830 -25.089 708 H LYS 102 H LYS 102 -2.874 -16.075 -16.181 709 HA LYS 102 HA LYS 102 -1.382 -18.442 -16.073 710 HB2 LYS 102 2HB LYS 102 -0.260 -17.416 -14.120 711 HB3 LYS 102 3HB LYS 102 -0.400 -16.309 -15.479 712 HG2 LYS 102 2HG LYS 102 -2.336 -15.253 -14.402 713 HG3 LYS 102 3HG LYS 102 -2.149 -16.342 -13.026 714 HD2 LYS 102 2HD LYS 102 -0.013 -14.442 -13.986 715 HD3 LYS 102 3HD LYS 102 -1.152 -14.078 -12.688 716 HE2 LYS 102 2HE LYS 102 0.106 -16.640 -12.273 717 HE3 LYS 102 3HE LYS 102 1.314 -15.372 -12.468 718 HZ1 LYS 102 1HZ LYS 102 -0.969 -15.229 -10.576 719 HZ2 LYS 102 2HZ LYS 102 0.311 -14.130 -10.704 720 HZ3 LYS 102 3HZ LYS 102 0.598 -15.701 -10.147 721 H ALA 103 H ALA 103 -3.948 -17.218 -13.984 722 HA ALA 103 HA ALA 103 -3.746 -19.084 -11.913 723 HB1 ALA 103 1HB ALA 103 -6.245 -17.758 -12.960 724 HB2 ALA 103 2HB ALA 103 -6.044 -18.505 -11.375 725 HB3 ALA 103 3HB ALA 103 -5.124 -17.060 -11.791 726 H GLU 104 H GLU 104 -5.558 -19.222 -14.958 727 HA GLU 104 HA GLU 104 -6.764 -21.742 -14.418 728 HB2 GLU 104 2HB GLU 104 -7.086 -19.769 -16.328 729 HB3 GLU 104 3HB GLU 104 -6.409 -21.106 -17.247 730 HG2 GLU 104 2HG GLU 104 -8.638 -21.717 -15.398 731 HG3 GLU 104 3HG GLU 104 -9.015 -20.808 -16.860 732 H GLU 105 H GLU 105 -3.817 -20.722 -16.049 733 HA GLU 105 HA GLU 105 -3.135 -23.163 -17.246 734 HB2 GLU 105 2HB GLU 105 -2.067 -20.883 -17.618 735 HB3 GLU 105 3HB GLU 105 -1.154 -21.174 -16.145 736 HG2 GLU 105 2HG GLU 105 0.274 -22.544 -17.165 737 HG3 GLU 105 3HG GLU 105 -1.009 -23.384 -18.033 738 H ILE 106 H ILE 106 -1.806 -21.780 -14.236 739 HA ILE 106 HA ILE 106 -0.431 -24.055 -13.406 740 HB ILE 106 HB ILE 106 -0.066 -21.868 -12.384 741 HG12 ILE 106 2HG1 ILE 106 -0.986 -23.318 -10.000 742 HG13 ILE 106 3HG1 ILE 106 -0.036 -24.299 -11.110 743 HG21 ILE 106 1HG2 ILE 106 -1.611 -20.737 -11.071 744 HG22 ILE 106 2HG2 ILE 106 -2.598 -21.374 -12.385 745 HG23 ILE 106 3HG2 ILE 106 -2.596 -22.177 -10.814 746 HD11 ILE 106 1HD1 ILE 106 0.774 -21.805 -9.663 747 HD12 ILE 106 2HD1 ILE 106 1.505 -23.409 -9.599 748 HD13 ILE 106 3HD1 ILE 106 1.673 -22.421 -11.049 749 H ALA 107 H ALA 107 -3.795 -23.142 -12.978 750 HA ALA 107 HA ALA 107 -4.495 -25.052 -11.035 751 HB1 ALA 107 1HB ALA 107 -6.296 -23.949 -13.184 752 HB2 ALA 107 2HB ALA 107 -6.770 -24.599 -11.614 753 HB3 ALA 107 3HB ALA 107 -5.872 -23.084 -11.707 754 H ALA 108 H ALA 108 -4.395 -25.202 -14.562 755 HA ALA 108 HA ALA 108 -5.645 -27.710 -14.857 756 HB1 ALA 108 1HB ALA 108 -4.325 -25.805 -16.543 757 HB2 ALA 108 2HB ALA 108 -3.788 -27.437 -16.944 758 HB3 ALA 108 3HB ALA 108 -5.507 -27.043 -16.968 759 H LYS 109 H LYS 109 -2.255 -26.788 -14.436 760 HA LYS 109 HA LYS 109 -1.187 -29.390 -14.772 761 HB2 LYS 109 2HB LYS 109 -0.003 -27.100 -13.196 762 HB3 LYS 109 3HB LYS 109 0.863 -28.479 -13.858 763 HG2 LYS 109 2HG LYS 109 -0.560 -27.169 -15.959 764 HG3 LYS 109 3HG LYS 109 0.389 -25.982 -15.061 765 HD2 LYS 109 2HD LYS 109 1.821 -26.786 -16.753 766 HD3 LYS 109 3HD LYS 109 2.338 -27.600 -15.274 767 HE2 LYS 109 2HE LYS 109 0.947 -29.552 -15.939 768 HE3 LYS 109 3HE LYS 109 0.609 -28.740 -17.466 769 HZ1 LYS 109 1HZ LYS 109 3.324 -28.660 -17.257 770 HZ2 LYS 109 2HZ LYS 109 2.434 -29.736 -18.211 771 HZ3 LYS 109 3HZ LYS 109 2.935 -30.194 -16.661 772 H LYS 110 H LYS 110 -1.759 -27.467 -11.823 773 HA LYS 110 HA LYS 110 -1.320 -29.774 -10.141 774 HB2 LYS 110 2HB LYS 110 -1.855 -26.874 -9.702 775 HB3 LYS 110 3HB LYS 110 -2.231 -27.989 -8.395 776 HG2 LYS 110 2HG LYS 110 -0.070 -28.359 -7.915 777 HG3 LYS 110 3HG LYS 110 0.419 -28.346 -9.611 778 HD2 LYS 110 2HD LYS 110 1.442 -26.462 -8.589 779 HD3 LYS 110 3HD LYS 110 0.106 -25.846 -9.565 780 HE2 LYS 110 2HE LYS 110 -0.571 -26.512 -6.780 781 HE3 LYS 110 3HE LYS 110 0.557 -25.171 -6.979 782 HZ1 LYS 110 1HZ LYS 110 -1.921 -25.269 -8.568 783 HZ2 LYS 110 2HZ LYS 110 -0.990 -23.928 -8.127 784 HZ3 LYS 110 3HZ LYS 110 -1.958 -24.700 -6.975 Start of MODEL 12 1 H1 THR 12 H THR 12 -0.149 2.529 -0.039 2 HA THR 12 HA THR 12 1.406 2.296 -1.704 3 HB THR 12 HB THR 12 2.621 0.181 -2.017 4 HG1 THR 12 HG1 THR 12 1.671 -1.596 -1.394 5 HG21 THR 12 1HG2 THR 12 2.435 1.616 0.527 6 HG22 THR 12 2HG2 THR 12 3.853 1.175 -0.424 7 HG23 THR 12 3HG2 THR 12 3.126 0.001 0.672 8 H ASP 13 H ASP 13 1.079 2.130 -3.851 9 HA ASP 13 HA ASP 13 -0.950 0.212 -4.789 10 HB2 ASP 13 2HB ASP 13 -0.631 2.906 -6.073 11 HB3 ASP 13 3HB ASP 13 -2.016 1.817 -6.107 12 H HIS 14 H HIS 14 -0.474 -0.904 -6.605 13 HA HIS 14 HA HIS 14 1.990 -0.169 -8.042 14 HB2 HIS 14 2HB HIS 14 2.570 -2.490 -8.265 15 HB3 HIS 14 3HB HIS 14 2.258 -2.174 -6.561 16 HD1 HIS 14 HD1 HIS 14 0.925 -4.036 -9.509 17 HD2 HIS 14 HD2 HIS 14 0.006 -3.465 -5.498 18 HE1 HIS 14 HE1 HIS 14 -0.804 -5.779 -8.960 19 H GLN 15 H GLN 15 1.866 -0.073 -10.208 20 HA GLN 15 HA GLN 15 -0.494 -1.226 -11.526 21 HB2 GLN 15 2HB GLN 15 -0.495 0.833 -13.008 22 HB3 GLN 15 3HB GLN 15 -1.060 1.065 -11.359 23 HG2 GLN 15 2HG GLN 15 1.760 1.525 -11.482 24 HG3 GLN 15 3HG GLN 15 0.942 2.482 -12.716 25 HE21 GLN 15 1HE2 GLN 15 0.440 4.432 -12.057 26 HE22 GLN 15 2HE2 GLN 15 -0.014 4.888 -10.454 27 H THR 16 H THR 16 -0.023 -2.409 -13.261 28 HA THR 16 HA THR 16 2.360 -1.833 -14.835 29 HB THR 16 HB THR 16 1.974 -4.685 -14.020 30 HG1 THR 16 HG1 THR 16 2.983 -4.388 -12.131 31 HG21 THR 16 1HG2 THR 16 3.576 -4.496 -15.692 32 HG22 THR 16 2HG2 THR 16 4.557 -4.477 -14.227 33 HG23 THR 16 3HG2 THR 16 4.195 -2.969 -15.066 34 H VAL 17 H VAL 17 1.900 -1.997 -16.928 35 HA VAL 17 HA VAL 17 -0.454 -3.581 -17.720 36 HB VAL 17 HB VAL 17 0.797 -1.308 -19.263 37 HG11 VAL 17 1HG1 VAL 17 -0.430 -2.764 -20.698 38 HG12 VAL 17 2HG1 VAL 17 -1.780 -2.838 -19.564 39 HG13 VAL 17 3HG1 VAL 17 -1.424 -1.335 -20.417 40 HG21 VAL 17 1HG2 VAL 17 -0.025 -0.108 -17.510 41 HG22 VAL 17 2HG2 VAL 17 -1.503 -0.249 -18.461 42 HG23 VAL 17 3HG2 VAL 17 -1.229 -1.328 -17.094 43 H TYR 18 H TYR 18 -0.361 -4.871 -19.579 44 HA TYR 18 HA TYR 18 2.372 -5.562 -20.433 45 HB2 TYR 18 2HB TYR 18 -0.041 -7.369 -20.573 46 HB3 TYR 18 3HB TYR 18 1.651 -7.814 -20.763 47 HD1 TYR 18 HD1 TYR 18 3.041 -8.236 -18.861 48 HD2 TYR 18 HD2 TYR 18 -0.934 -6.811 -18.335 49 HE1 TYR 18 HE1 TYR 18 3.176 -8.764 -16.463 50 HE2 TYR 18 HE2 TYR 18 -0.810 -7.335 -15.935 51 HH TYR 18 HH TYR 18 0.503 -8.906 -14.460 52 H VAL 19 H VAL 19 2.892 -5.317 -22.508 53 HA VAL 19 HA VAL 19 0.726 -5.076 -24.488 54 HB VAL 19 HB VAL 19 3.234 -3.395 -24.495 55 HG11 VAL 19 1HG1 VAL 19 1.010 -3.821 -26.371 56 HG12 VAL 19 2HG1 VAL 19 1.452 -2.135 -26.092 57 HG13 VAL 19 3HG1 VAL 19 2.662 -3.281 -26.670 58 HG21 VAL 19 1HG2 VAL 19 1.623 -1.517 -23.988 59 HG22 VAL 19 2HG2 VAL 19 0.444 -2.757 -23.562 60 HG23 VAL 19 3HG2 VAL 19 1.952 -2.626 -22.656 61 H LYS 20 H LYS 20 1.164 -5.852 -26.550 62 HA LYS 20 HA LYS 20 2.744 -8.098 -26.802 63 HB2 LYS 20 2HB LYS 20 2.568 -7.634 -29.317 64 HB3 LYS 20 3HB LYS 20 1.066 -7.815 -28.419 65 HG2 LYS 20 2HG LYS 20 0.437 -5.691 -28.786 66 HG3 LYS 20 3HG LYS 20 2.079 -5.064 -28.624 67 HD2 LYS 20 2HD LYS 20 1.437 -6.721 -31.009 68 HD3 LYS 20 3HD LYS 20 0.812 -5.071 -30.949 69 HE2 LYS 20 2HE LYS 20 3.537 -5.038 -30.127 70 HE3 LYS 20 3HE LYS 20 3.421 -5.951 -31.631 71 HZ1 LYS 20 1HZ LYS 20 2.681 -3.141 -31.120 72 HZ2 LYS 20 2HZ LYS 20 2.019 -3.984 -32.428 73 HZ3 LYS 20 3HZ LYS 20 3.694 -3.770 -32.321 74 HA PRO 21 HA PRO 21 6.896 -6.812 -27.412 75 HB2 PRO 21 2HB PRO 21 7.773 -8.627 -29.232 76 HB3 PRO 21 3HB PRO 21 7.451 -9.038 -27.543 77 HG2 PRO 21 2HG PRO 21 5.732 -9.460 -29.957 78 HG3 PRO 21 3HG PRO 21 6.053 -10.563 -28.606 79 HD2 PRO 21 2HD PRO 21 3.782 -9.099 -28.782 80 HD3 PRO 21 3HD PRO 21 4.528 -9.520 -27.227 81 H VAL 22 H VAL 22 8.492 -6.126 -29.073 82 HA VAL 22 HA VAL 22 7.117 -4.847 -31.340 83 HB VAL 22 HB VAL 22 9.157 -3.325 -31.353 84 HG11 VAL 22 1HG1 VAL 22 8.070 -2.606 -28.819 85 HG12 VAL 22 2HG1 VAL 22 7.732 -1.911 -30.406 86 HG13 VAL 22 3HG1 VAL 22 6.783 -3.277 -29.819 87 HG21 VAL 22 1HG2 VAL 22 10.707 -3.367 -29.692 88 HG22 VAL 22 2HG2 VAL 22 9.570 -3.983 -28.493 89 HG23 VAL 22 3HG2 VAL 22 10.276 -5.077 -29.683 90 HA PRO 23 HA PRO 23 9.486 -7.099 -34.271 91 HB2 PRO 23 2HB PRO 23 9.817 -5.246 -36.228 92 HB3 PRO 23 3HB PRO 23 8.268 -6.032 -35.901 93 HG2 PRO 23 2HG PRO 23 9.240 -3.333 -35.046 94 HG3 PRO 23 3HG PRO 23 7.648 -3.803 -35.670 95 HD2 PRO 23 2HD PRO 23 8.128 -3.436 -33.031 96 HD3 PRO 23 3HD PRO 23 6.951 -4.622 -33.632 97 HA PRO 24 HA PRO 24 13.801 -6.324 -33.935 98 HB2 PRO 24 2HB PRO 24 14.741 -7.091 -36.363 99 HB3 PRO 24 3HB PRO 24 14.153 -8.239 -35.155 100 HG2 PRO 24 2HG PRO 24 12.747 -7.127 -37.552 101 HG3 PRO 24 3HG PRO 24 12.774 -8.792 -36.943 102 HD2 PRO 24 2HD PRO 24 10.699 -7.111 -36.495 103 HD3 PRO 24 3HD PRO 24 11.182 -8.363 -35.333 104 H THR 25 H THR 25 12.038 -4.776 -36.492 105 HA THR 25 HA THR 25 14.210 -3.041 -37.275 106 HB THR 25 HB THR 25 12.296 -1.839 -38.528 107 HG1 THR 25 HG1 THR 25 10.377 -2.875 -38.612 108 HG21 THR 25 1HG2 THR 25 12.695 -4.715 -39.311 109 HG22 THR 25 2HG2 THR 25 13.992 -3.526 -39.435 110 HG23 THR 25 3HG2 THR 25 12.503 -3.307 -40.355 111 H ALA 26 H ALA 26 11.306 -2.839 -35.289 112 HA ALA 26 HA ALA 26 11.273 -0.075 -34.856 113 HB1 ALA 26 1HB ALA 26 10.088 -0.730 -32.687 114 HB2 ALA 26 2HB ALA 26 9.354 -1.246 -34.206 115 HB3 ALA 26 3HB ALA 26 10.274 -2.396 -33.237 116 H THR 27 H THR 27 12.893 1.110 -34.094 117 HA THR 27 HA THR 27 14.866 -0.029 -32.301 118 HB THR 27 HB THR 27 16.005 2.158 -32.503 119 HG1 THR 27 HG1 THR 27 15.035 3.581 -34.178 120 HG21 THR 27 1HG2 THR 27 16.395 2.040 -34.997 121 HG22 THR 27 2HG2 THR 27 15.147 0.795 -35.051 122 HG23 THR 27 3HG2 THR 27 16.621 0.527 -34.120 123 H LEU 28 H LEU 28 15.609 1.430 -30.439 124 HA LEU 28 HA LEU 28 13.426 1.710 -28.629 125 HB2 LEU 28 2HB LEU 28 15.538 0.989 -27.785 126 HB3 LEU 28 3HB LEU 28 16.345 2.418 -28.428 127 HG LEU 28 HG LEU 28 14.207 2.898 -26.441 128 HD11 LEU 28 1HD1 LEU 28 15.677 2.398 -24.560 129 HD12 LEU 28 2HD1 LEU 28 16.875 1.726 -25.666 130 HD13 LEU 28 3HD1 LEU 28 15.306 0.942 -25.484 131 HD21 LEU 28 1HD2 LEU 28 16.079 4.429 -27.670 132 HD22 LEU 28 2HD2 LEU 28 16.894 4.048 -26.152 133 HD23 LEU 28 3HD2 LEU 28 15.312 4.830 -26.133 134 H GLU 29 H GLU 29 15.518 3.988 -30.348 135 HA GLU 29 HA GLU 29 14.510 6.334 -29.147 136 HB2 GLU 29 2HB GLU 29 16.642 6.104 -30.495 137 HB3 GLU 29 3HB GLU 29 15.638 6.118 -31.938 138 HG2 GLU 29 2HG GLU 29 14.822 8.334 -31.376 139 HG3 GLU 29 3HG GLU 29 15.774 8.322 -29.893 140 H GLN 30 H GLN 30 13.558 4.531 -32.030 141 HA GLN 30 HA GLN 30 11.653 6.403 -32.964 142 HB2 GLN 30 2HB GLN 30 12.729 4.395 -34.191 143 HB3 GLN 30 3HB GLN 30 11.451 3.444 -33.446 144 HG2 GLN 30 2HG GLN 30 9.827 4.345 -34.744 145 HG3 GLN 30 3HG GLN 30 10.644 5.901 -34.882 146 HE21 GLN 30 1HE2 GLN 30 11.437 6.349 -36.800 147 HE22 GLN 30 2HE2 GLN 30 11.909 5.205 -38.004 148 H LEU 31 H LEU 31 11.327 3.447 -31.016 149 HA LEU 31 HA LEU 31 8.552 3.493 -30.720 150 HB2 LEU 31 2HB LEU 31 10.824 2.227 -29.353 151 HB3 LEU 31 3HB LEU 31 9.378 2.422 -28.365 152 HG LEU 31 HG LEU 31 9.362 1.056 -31.049 153 HD11 LEU 31 1HD1 LEU 31 9.254 -0.486 -28.515 154 HD12 LEU 31 2HD1 LEU 31 10.828 0.067 -29.086 155 HD13 LEU 31 3HD1 LEU 31 9.831 -0.965 -30.111 156 HD21 LEU 31 1HD2 LEU 31 7.204 1.866 -30.288 157 HD22 LEU 31 2HD2 LEU 31 7.430 1.067 -28.732 158 HD23 LEU 31 3HD2 LEU 31 7.262 0.106 -30.201 159 H THR 32 H THR 32 11.058 4.796 -28.550 160 HA THR 32 HA THR 32 9.350 5.884 -26.631 161 HB THR 32 HB THR 32 12.019 7.037 -27.456 162 HG1 THR 32 HG1 THR 32 12.921 5.357 -26.528 163 HG21 THR 32 1HG2 THR 32 10.860 8.489 -25.936 164 HG22 THR 32 2HG2 THR 32 12.117 7.645 -25.031 165 HG23 THR 32 3HG2 THR 32 10.435 7.135 -24.890 166 H GLU 33 H GLU 33 10.740 7.380 -29.540 167 HA GLU 33 HA GLU 33 9.753 9.953 -29.208 168 HB2 GLU 33 2HB GLU 33 11.371 9.159 -30.971 169 HB3 GLU 33 3HB GLU 33 9.991 8.523 -31.856 170 HG2 GLU 33 2HG GLU 33 9.753 10.494 -32.819 171 HG3 GLU 33 3HG GLU 33 9.356 11.182 -31.246 172 H PHE 34 H PHE 34 8.276 7.297 -31.075 173 HA PHE 34 HA PHE 34 5.925 8.594 -31.779 174 HB2 PHE 34 2HB PHE 34 6.738 5.745 -31.477 175 HB3 PHE 34 3HB PHE 34 5.017 6.089 -31.616 176 HD1 PHE 34 HD1 PHE 34 8.160 7.260 -33.261 177 HD2 PHE 34 HD2 PHE 34 4.169 5.854 -33.724 178 HE1 PHE 34 HE1 PHE 34 8.394 7.411 -35.706 179 HE2 PHE 34 HE2 PHE 34 4.397 6.003 -36.169 180 HZ PHE 34 HZ PHE 34 6.511 6.781 -37.163 181 H PHE 35 H PHE 35 6.686 6.737 -28.865 182 HA PHE 35 HA PHE 35 4.151 6.698 -27.709 183 HB2 PHE 35 2HB PHE 35 6.920 6.344 -26.778 184 HB3 PHE 35 3HB PHE 35 5.796 6.880 -25.533 185 HD1 PHE 35 HD1 PHE 35 4.770 5.249 -24.300 186 HD2 PHE 35 HD2 PHE 35 5.909 4.386 -28.309 187 HE1 PHE 35 HE1 PHE 35 3.972 2.938 -24.026 188 HE2 PHE 35 HE2 PHE 35 5.112 2.074 -28.042 189 HZ PHE 35 HZ PHE 35 4.141 1.347 -25.898 190 H SER 36 H SER 36 6.789 9.035 -27.184 191 HA SER 36 HA SER 36 5.462 10.731 -25.431 192 HB2 SER 36 2HB SER 36 7.916 10.736 -26.824 193 HB3 SER 36 3HB SER 36 7.132 12.270 -27.203 194 HG SER 36 HG SER 36 6.795 12.425 -24.848 195 H LYS 37 H LYS 37 5.290 10.503 -28.919 196 HA LYS 37 HA LYS 37 3.981 12.953 -29.416 197 HB2 LYS 37 2HB LYS 37 5.090 11.312 -31.076 198 HB3 LYS 37 3HB LYS 37 3.545 10.470 -31.057 199 HG2 LYS 37 2HG LYS 37 2.589 12.849 -31.585 200 HG3 LYS 37 3HG LYS 37 4.233 13.151 -32.153 201 HD2 LYS 37 2HD LYS 37 3.060 10.619 -33.069 202 HD3 LYS 37 3HD LYS 37 2.244 12.068 -33.662 203 HE2 LYS 37 2HE LYS 37 5.220 11.922 -33.781 204 HE3 LYS 37 3HE LYS 37 4.272 11.028 -34.968 205 HZ1 LYS 37 1HZ LYS 37 3.065 13.303 -35.220 206 HZ2 LYS 37 2HZ LYS 37 4.534 13.030 -36.012 207 HZ3 LYS 37 3HZ LYS 37 4.501 13.929 -34.579 208 H HIS 38 H HIS 38 2.805 9.756 -28.539 209 HA HIS 38 HA HIS 38 0.197 10.933 -27.940 210 HB2 HIS 38 2HB HIS 38 -0.104 9.988 -30.155 211 HB3 HIS 38 3HB HIS 38 0.594 8.458 -29.633 212 HD1 HIS 38 HD1 HIS 38 -0.880 6.966 -28.061 213 HD2 HIS 38 HD2 HIS 38 -2.786 10.338 -29.564 214 HE1 HIS 38 HE1 HIS 38 -3.332 6.598 -27.638 215 H GLY 39 H GLY 39 -0.100 10.553 -25.848 216 HA2 GLY 39 2HA GLY 39 -0.633 9.101 -24.057 217 HA3 GLY 39 3HA GLY 39 0.291 7.830 -24.844 218 H THR 40 H THR 40 0.323 9.097 -22.081 219 HA THR 40 HA THR 40 3.191 9.777 -22.017 220 HB THR 40 HB THR 40 1.231 10.497 -19.846 221 HG1 THR 40 HG1 THR 40 2.015 12.124 -22.054 222 HG21 THR 40 1HG2 THR 40 3.158 11.078 -18.862 223 HG22 THR 40 2HG2 THR 40 3.214 12.411 -20.015 224 HG23 THR 40 3HG2 THR 40 4.068 10.907 -20.363 225 H VAL 41 H VAL 41 4.370 8.115 -21.341 226 HA VAL 41 HA VAL 41 3.262 6.361 -19.247 227 HB VAL 41 HB VAL 41 4.762 4.603 -20.068 228 HG11 VAL 41 1HG1 VAL 41 2.458 5.598 -21.347 229 HG12 VAL 41 2HG1 VAL 41 3.566 5.083 -22.620 230 HG13 VAL 41 3HG1 VAL 41 3.081 3.948 -21.360 231 HG21 VAL 41 1HG2 VAL 41 6.050 4.846 -22.074 232 HG22 VAL 41 2HG2 VAL 41 5.415 6.469 -22.345 233 HG23 VAL 41 3HG2 VAL 41 6.487 6.158 -20.980 234 H GLN 42 H GLN 42 4.558 5.773 -17.513 235 HA GLN 42 HA GLN 42 6.503 7.695 -16.715 236 HB2 GLN 42 2HB GLN 42 4.864 6.151 -15.313 237 HB3 GLN 42 3HB GLN 42 6.256 5.077 -15.308 238 HG2 GLN 42 2HG GLN 42 7.001 7.787 -14.638 239 HG3 GLN 42 3HG GLN 42 5.754 7.163 -13.559 240 HE21 GLN 42 1HE2 GLN 42 8.767 7.706 -13.400 241 HE22 GLN 42 2HE2 GLN 42 9.391 6.276 -12.657 242 H ALA 43 H ALA 43 6.771 4.173 -17.231 243 HA ALA 43 HA ALA 43 9.344 4.515 -18.506 244 HB1 ALA 43 1HB ALA 43 9.964 4.536 -16.143 245 HB2 ALA 43 2HB ALA 43 9.150 2.989 -15.912 246 HB3 ALA 43 3HB ALA 43 10.570 3.091 -16.952 247 H VAL 44 H VAL 44 10.247 2.379 -19.216 248 HA VAL 44 HA VAL 44 8.273 0.238 -19.419 249 HB VAL 44 HB VAL 44 7.813 1.587 -21.388 250 HG11 VAL 44 1HG1 VAL 44 10.646 1.919 -21.408 251 HG12 VAL 44 2HG1 VAL 44 10.136 1.238 -22.954 252 HG13 VAL 44 3HG1 VAL 44 9.426 2.746 -22.377 253 HG21 VAL 44 1HG2 VAL 44 7.643 -0.841 -21.586 254 HG22 VAL 44 2HG2 VAL 44 8.155 -0.117 -23.111 255 HG23 VAL 44 3HG2 VAL 44 9.334 -0.926 -22.079 256 H TRP 45 H TRP 45 9.150 -1.786 -19.717 257 HA TRP 45 HA TRP 45 11.899 -2.165 -20.443 258 HB2 TRP 45 2HB TRP 45 11.110 -2.058 -17.604 259 HB3 TRP 45 3HB TRP 45 12.062 -3.469 -18.055 260 HD1 TRP 45 HD1 TRP 45 14.400 -2.696 -19.581 261 HE1 TRP 45 HE1 TRP 45 16.069 -0.843 -18.941 262 HE3 TRP 45 HE3 TRP 45 11.441 -0.001 -16.400 263 HZ2 TRP 45 HZ2 TRP 45 16.124 1.456 -17.304 264 HZ3 TRP 45 HZ3 TRP 45 12.378 2.011 -15.338 265 HH2 TRP 45 HH2 TRP 45 14.671 2.723 -15.782 266 H ARG 46 H ARG 46 12.521 -4.531 -20.204 267 HA ARG 46 HA ARG 46 10.348 -6.416 -20.012 268 HB2 ARG 46 2HB ARG 46 10.654 -7.297 -22.313 269 HB3 ARG 46 3HB ARG 46 9.986 -5.670 -22.280 270 HG2 ARG 46 2HG ARG 46 12.930 -5.983 -22.538 271 HG3 ARG 46 3HG ARG 46 11.914 -6.333 -23.938 272 HD2 ARG 46 2HD ARG 46 11.042 -3.898 -22.723 273 HD3 ARG 46 3HD ARG 46 12.783 -3.819 -22.990 274 HE ARG 46 HE ARG 46 11.600 -4.800 -25.319 275 HH11 ARG 46 1HH1 ARG 46 11.671 -1.874 -23.433 276 HH12 ARG 46 2HH1 ARG 46 11.394 -0.836 -24.793 277 HH21 ARG 46 1HH2 ARG 46 11.235 -3.444 -27.117 278 HH22 ARG 46 2HH2 ARG 46 11.145 -1.731 -26.887 279 H ARG 47 H ARG 47 11.045 -8.497 -19.660 280 HA ARG 47 HA ARG 47 13.880 -9.110 -19.986 281 HB2 ARG 47 2HB ARG 47 14.165 -9.837 -17.704 282 HB3 ARG 47 3HB ARG 47 13.612 -8.168 -17.701 283 HG2 ARG 47 2HG ARG 47 11.324 -9.836 -17.602 284 HG3 ARG 47 3HG ARG 47 12.479 -10.417 -16.401 285 HD2 ARG 47 2HD ARG 47 12.698 -7.943 -15.728 286 HD3 ARG 47 3HD ARG 47 11.207 -7.712 -16.640 287 HE ARG 47 HE ARG 47 11.033 -9.837 -14.726 288 HH11 ARG 47 1HH1 ARG 47 10.787 -6.394 -15.179 289 HH12 ARG 47 2HH1 ARG 47 9.741 -6.158 -13.818 290 HH21 ARG 47 1HH2 ARG 47 9.656 -9.540 -12.932 291 HH22 ARG 47 2HH2 ARG 47 9.099 -7.948 -12.540 292 H TYR 48 H TYR 48 14.339 -11.430 -19.601 293 HA TYR 48 HA TYR 48 12.033 -13.204 -19.728 294 HB2 TYR 48 2HB TYR 48 12.947 -14.350 -21.753 295 HB3 TYR 48 3HB TYR 48 12.364 -12.718 -22.064 296 HD1 TYR 48 HD1 TYR 48 15.220 -14.936 -22.118 297 HD2 TYR 48 HD2 TYR 48 14.009 -10.866 -22.371 298 HE1 TYR 48 HE1 TYR 48 17.396 -14.357 -23.108 299 HE2 TYR 48 HE2 TYR 48 16.180 -10.275 -23.363 300 HH TYR 48 HH TYR 48 18.263 -11.003 -23.801 301 H PHE 49 H PHE 49 12.401 -14.820 -18.378 302 HA PHE 49 HA PHE 49 15.080 -15.371 -17.441 303 HB2 PHE 49 2HB PHE 49 12.342 -15.952 -16.554 304 HB3 PHE 49 3HB PHE 49 13.477 -17.269 -16.274 305 HD1 PHE 49 HD1 PHE 49 15.880 -16.262 -15.396 306 HD2 PHE 49 HD2 PHE 49 12.018 -14.595 -14.748 307 HE1 PHE 49 HE1 PHE 49 16.716 -15.116 -13.385 308 HE2 PHE 49 HE2 PHE 49 12.847 -13.445 -12.737 309 HZ PHE 49 HZ PHE 49 15.199 -13.704 -12.053 310 H ALA 50 H ALA 50 16.386 -16.728 -18.455 311 HA ALA 50 HA ALA 50 15.400 -18.611 -20.395 312 HB1 ALA 50 1HB ALA 50 17.819 -17.282 -19.948 313 HB2 ALA 50 2HB ALA 50 18.174 -18.997 -19.740 314 HB3 ALA 50 3HB ALA 50 17.445 -18.423 -21.240 315 H GLY 51 H GLY 51 16.577 -18.720 -17.097 316 HA2 GLY 51 2HA GLY 51 16.082 -20.421 -15.556 317 HA3 GLY 51 3HA GLY 51 15.650 -21.477 -16.893 318 H LYS 52 H LYS 52 17.898 -20.912 -14.531 319 HA LYS 52 HA LYS 52 19.796 -22.723 -15.827 320 HB2 LYS 52 2HB LYS 52 20.424 -20.160 -15.914 321 HB3 LYS 52 3HB LYS 52 20.904 -20.441 -14.245 322 HG2 LYS 52 2HG LYS 52 22.820 -20.684 -15.658 323 HG3 LYS 52 3HG LYS 52 22.379 -22.270 -15.021 324 HD2 LYS 52 2HD LYS 52 22.291 -23.044 -17.103 325 HD3 LYS 52 3HD LYS 52 20.956 -21.938 -17.433 326 HE2 LYS 52 2HE LYS 52 23.730 -20.868 -17.515 327 HE3 LYS 52 3HE LYS 52 23.190 -21.887 -18.849 328 HZ1 LYS 52 1HZ LYS 52 21.182 -20.339 -18.910 329 HZ2 LYS 52 2HZ LYS 52 22.647 -19.742 -19.508 330 HZ3 LYS 52 3HZ LYS 52 22.111 -19.282 -17.970 331 H LYS 53 H LYS 53 18.093 -23.699 -14.078 332 HA LYS 53 HA LYS 53 19.774 -24.370 -11.814 333 HB2 LYS 53 2HB LYS 53 18.081 -23.877 -10.132 334 HB3 LYS 53 3HB LYS 53 18.523 -22.414 -11.001 335 HG2 LYS 53 2HG LYS 53 16.301 -23.686 -12.292 336 HG3 LYS 53 3HG LYS 53 15.959 -23.449 -10.576 337 HD2 LYS 53 2HD LYS 53 16.118 -21.153 -10.726 338 HD3 LYS 53 3HD LYS 53 17.156 -21.213 -12.152 339 HE2 LYS 53 2HE LYS 53 15.355 -21.670 -13.580 340 HE3 LYS 53 3HE LYS 53 14.303 -22.141 -12.245 341 HZ1 LYS 53 1HZ LYS 53 14.013 -19.933 -11.602 342 HZ2 LYS 53 2HZ LYS 53 13.920 -19.876 -13.290 343 HZ3 LYS 53 3HZ LYS 53 15.335 -19.383 -12.503 344 H ASP 54 H ASP 54 18.372 -25.958 -10.338 345 HA ASP 54 HA ASP 54 17.285 -27.951 -12.199 346 HB2 ASP 54 2HB ASP 54 18.352 -28.257 -9.385 347 HB3 ASP 54 3HB ASP 54 17.704 -29.572 -10.361 348 H ALA 55 H ALA 55 15.773 -25.648 -11.160 349 HA ALA 55 HA ALA 55 13.691 -27.094 -9.655 350 HB1 ALA 55 1HB ALA 55 13.440 -25.356 -8.278 351 HB2 ALA 55 2HB ALA 55 14.989 -24.791 -8.906 352 HB3 ALA 55 3HB ALA 55 13.484 -24.190 -9.602 353 HA PRO 56 HA PRO 56 10.794 -26.450 -12.887 354 HB2 PRO 56 2HB PRO 56 8.514 -25.887 -11.525 355 HB3 PRO 56 3HB PRO 56 9.233 -27.501 -11.569 356 HG2 PRO 56 2HG PRO 56 9.422 -25.401 -9.444 357 HG3 PRO 56 3HG PRO 56 9.170 -27.148 -9.271 358 HD2 PRO 56 2HD PRO 56 11.583 -25.979 -8.893 359 HD3 PRO 56 3HD PRO 56 11.410 -27.623 -9.538 360 HA PRO 57 HA PRO 57 10.249 -22.214 -13.931 361 HB2 PRO 57 2HB PRO 57 7.869 -22.218 -15.238 362 HB3 PRO 57 3HB PRO 57 9.343 -22.910 -15.925 363 HG2 PRO 57 2HG PRO 57 7.063 -24.286 -14.559 364 HG3 PRO 57 3HG PRO 57 7.942 -24.763 -16.023 365 HD2 PRO 57 2HD PRO 57 8.433 -25.873 -13.603 366 HD3 PRO 57 3HD PRO 57 9.698 -25.658 -14.829 367 H GLU 58 H GLU 58 10.016 -21.089 -12.018 368 HA GLU 58 HA GLU 58 7.372 -20.959 -10.780 369 HB2 GLU 58 2HB GLU 58 9.155 -21.293 -9.221 370 HB3 GLU 58 3HB GLU 58 10.085 -19.969 -9.909 371 HG2 GLU 58 2HG GLU 58 8.777 -18.353 -8.916 372 HG3 GLU 58 3HG GLU 58 7.397 -19.435 -8.733 373 H SER 59 H SER 59 9.782 -18.880 -12.314 374 HA SER 59 HA SER 59 8.055 -16.556 -12.096 375 HB2 SER 59 2HB SER 59 10.402 -16.281 -13.819 376 HB3 SER 59 3HB SER 59 9.934 -15.347 -12.398 377 HG SER 59 HG SER 59 11.927 -16.761 -12.345 378 H ARG 60 H ARG 60 7.674 -15.219 -14.080 379 HA ARG 60 HA ARG 60 6.813 -16.979 -16.267 380 HB2 ARG 60 2HB ARG 60 5.925 -14.147 -15.699 381 HB3 ARG 60 3HB ARG 60 5.206 -15.273 -16.842 382 HG2 ARG 60 2HG ARG 60 5.304 -15.804 -13.888 383 HG3 ARG 60 3HG ARG 60 3.976 -14.941 -14.667 384 HD2 ARG 60 2HD ARG 60 3.436 -16.840 -16.010 385 HD3 ARG 60 3HD ARG 60 4.894 -17.687 -15.494 386 HE ARG 60 HE ARG 60 3.193 -17.024 -13.299 387 HH11 ARG 60 1HH1 ARG 60 3.686 -19.300 -15.887 388 HH12 ARG 60 2HH1 ARG 60 2.862 -20.593 -15.081 389 HH21 ARG 60 1HH2 ARG 60 2.106 -18.719 -12.228 390 HH22 ARG 60 2HH2 ARG 60 1.962 -20.262 -13.000 391 H THR 61 H THR 61 8.084 -17.022 -17.988 392 HA THR 61 HA THR 61 9.603 -14.595 -18.687 393 HB THR 61 HB THR 61 11.164 -16.318 -18.199 394 HG1 THR 61 HG1 THR 61 11.001 -16.593 -20.999 395 HG21 THR 61 1HG2 THR 61 9.124 -18.037 -19.344 396 HG22 THR 61 2HG2 THR 61 10.438 -18.433 -18.236 397 HG23 THR 61 3HG2 THR 61 10.728 -18.406 -19.975 398 H LYS 62 H LYS 62 8.530 -13.537 -20.234 399 HA LYS 62 HA LYS 62 7.822 -15.009 -22.665 400 HB2 LYS 62 2HB LYS 62 5.732 -13.497 -22.769 401 HB3 LYS 62 3HB LYS 62 5.692 -14.905 -21.716 402 HG2 LYS 62 2HG LYS 62 6.629 -12.401 -20.479 403 HG3 LYS 62 3HG LYS 62 4.931 -12.447 -20.956 404 HD2 LYS 62 2HD LYS 62 6.172 -14.678 -19.378 405 HD3 LYS 62 3HD LYS 62 5.548 -13.229 -18.586 406 HE2 LYS 62 2HE LYS 62 3.594 -14.323 -18.554 407 HE3 LYS 62 3HE LYS 62 3.495 -13.890 -20.260 408 HZ1 LYS 62 1HZ LYS 62 4.958 -16.322 -19.586 409 HZ2 LYS 62 2HZ LYS 62 3.969 -15.989 -20.917 410 HZ3 LYS 62 3HZ LYS 62 3.275 -16.372 -19.422 411 HA PRO 63 HA PRO 63 9.630 -11.630 -24.804 412 HB2 PRO 63 2HB PRO 63 8.105 -11.508 -27.047 413 HB3 PRO 63 3HB PRO 63 9.270 -12.804 -26.746 414 HG2 PRO 63 2HG PRO 63 6.302 -12.796 -26.354 415 HG3 PRO 63 3HG PRO 63 7.336 -14.059 -27.048 416 HD2 PRO 63 2HD PRO 63 6.420 -14.160 -24.501 417 HD3 PRO 63 3HD PRO 63 7.992 -14.833 -24.978 418 H SER 64 H SER 64 6.302 -11.509 -23.900 419 HA SER 64 HA SER 64 5.460 -9.063 -24.863 420 HB2 SER 64 2HB SER 64 4.848 -10.089 -22.086 421 HB3 SER 64 3HB SER 64 3.845 -9.040 -23.088 422 HG SER 64 HG SER 64 3.956 -10.946 -24.615 423 H VAL 65 H VAL 65 5.448 -6.949 -24.014 424 HA VAL 65 HA VAL 65 7.782 -6.355 -22.328 425 HB VAL 65 HB VAL 65 7.617 -4.052 -23.225 426 HG11 VAL 65 1HG1 VAL 65 8.954 -5.961 -24.287 427 HG12 VAL 65 2HG1 VAL 65 7.699 -5.976 -25.528 428 HG13 VAL 65 3HG1 VAL 65 8.663 -4.522 -25.264 429 HG21 VAL 65 1HG2 VAL 65 5.061 -4.622 -23.828 430 HG22 VAL 65 2HG2 VAL 65 5.975 -3.329 -24.603 431 HG23 VAL 65 3HG2 VAL 65 5.809 -4.891 -25.403 432 H PHE 66 H PHE 66 7.626 -4.877 -20.616 433 HA PHE 66 HA PHE 66 4.897 -4.555 -19.565 434 HB2 PHE 66 2HB PHE 66 7.463 -4.421 -17.979 435 HB3 PHE 66 3HB PHE 66 5.822 -4.571 -17.359 436 HD1 PHE 66 HD1 PHE 66 8.608 -6.318 -17.358 437 HD2 PHE 66 HD2 PHE 66 4.681 -6.695 -18.954 438 HE1 PHE 66 HE1 PHE 66 8.843 -8.768 -17.348 439 HE2 PHE 66 HE2 PHE 66 4.908 -9.145 -18.946 440 HZ PHE 66 HZ PHE 66 6.991 -10.184 -18.141 441 H VAL 67 H VAL 67 4.090 -2.578 -19.227 442 HA VAL 67 HA VAL 67 5.934 -0.282 -19.288 443 HB VAL 67 HB VAL 67 4.256 1.006 -20.547 444 HG11 VAL 67 1HG1 VAL 67 5.609 -1.385 -21.635 445 HG12 VAL 67 2HG1 VAL 67 4.418 -0.607 -22.679 446 HG13 VAL 67 3HG1 VAL 67 5.790 0.316 -22.064 447 HG21 VAL 67 1HG2 VAL 67 2.456 -0.319 -21.726 448 HG22 VAL 67 2HG2 VAL 67 2.794 -1.624 -20.588 449 HG23 VAL 67 3HG2 VAL 67 2.218 -0.066 -19.996 450 H VAL 68 H VAL 68 5.599 1.243 -17.772 451 HA VAL 68 HA VAL 68 3.201 0.965 -16.078 452 HB VAL 68 HB VAL 68 5.940 1.942 -15.256 453 HG11 VAL 68 1HG1 VAL 68 3.365 2.344 -14.100 454 HG12 VAL 68 2HG1 VAL 68 4.310 1.296 -13.040 455 HG13 VAL 68 3HG1 VAL 68 4.939 2.876 -13.509 456 HG21 VAL 68 1HG2 VAL 68 6.147 -0.373 -15.485 457 HG22 VAL 68 2HG2 VAL 68 5.776 -0.150 -13.776 458 HG23 VAL 68 3HG2 VAL 68 4.514 -0.673 -14.892 459 H PHE 69 H PHE 69 1.828 2.590 -16.315 460 HA PHE 69 HA PHE 69 2.666 5.099 -17.471 461 HB2 PHE 69 2HB PHE 69 -0.035 4.170 -16.474 462 HB3 PHE 69 3HB PHE 69 0.257 5.688 -17.317 463 HD1 PHE 69 HD1 PHE 69 0.207 2.028 -17.655 464 HD2 PHE 69 HD2 PHE 69 0.544 5.757 -19.678 465 HE1 PHE 69 HE1 PHE 69 -0.104 0.883 -19.811 466 HE2 PHE 69 HE2 PHE 69 0.233 4.619 -21.836 467 HZ PHE 69 HZ PHE 69 -0.093 2.179 -21.905 468 H ASN 70 H ASN 70 2.540 7.132 -16.499 469 HA ASN 70 HA ASN 70 2.979 7.101 -13.631 470 HB2 ASN 70 2HB ASN 70 4.433 8.402 -15.220 471 HB3 ASN 70 3HB ASN 70 3.062 9.470 -15.509 472 HD21 ASN 70 1HD2 ASN 70 2.714 11.107 -14.155 473 HD22 ASN 70 2HD2 ASN 70 3.569 11.373 -12.677 474 H SER 71 H SER 71 0.727 8.555 -15.946 475 HA SER 71 HA SER 71 -0.821 9.832 -13.880 476 HB2 SER 71 2HB SER 71 -2.164 9.532 -16.452 477 HB3 SER 71 3HB SER 71 -1.722 11.000 -15.580 478 HG SER 71 HG SER 71 0.287 10.937 -16.500 479 H SER 72 H SER 72 -2.479 9.008 -12.784 480 HA SER 72 HA SER 72 -3.131 6.291 -12.858 481 HB2 SER 72 2HB SER 72 -4.938 6.843 -11.319 482 HB3 SER 72 3HB SER 72 -3.499 7.771 -10.897 483 HG SER 72 HG SER 72 -4.929 9.343 -10.952 484 H GLU 73 H GLU 73 -4.934 9.092 -14.106 485 HA GLU 73 HA GLU 73 -7.135 7.718 -15.118 486 HB2 GLU 73 2HB GLU 73 -6.199 10.357 -15.144 487 HB3 GLU 73 3HB GLU 73 -6.380 9.921 -16.838 488 HG2 GLU 73 2HG GLU 73 -8.700 9.202 -16.355 489 HG3 GLU 73 3HG GLU 73 -8.499 9.793 -14.707 490 H GLU 74 H GLU 74 -4.310 8.870 -16.974 491 HA GLU 74 HA GLU 74 -4.916 7.591 -19.363 492 HB2 GLU 74 2HB GLU 74 -2.878 9.200 -18.461 493 HB3 GLU 74 3HB GLU 74 -2.049 7.678 -18.758 494 HG2 GLU 74 2HG GLU 74 -1.837 8.704 -20.788 495 HG3 GLU 74 3HG GLU 74 -3.304 7.760 -21.038 496 H ALA 75 H ALA 75 -3.339 6.365 -16.482 497 HA ALA 75 HA ALA 75 -2.301 3.981 -17.551 498 HB1 ALA 75 1HB ALA 75 -3.240 4.535 -14.739 499 HB2 ALA 75 2HB ALA 75 -2.210 3.194 -15.240 500 HB3 ALA 75 3HB ALA 75 -1.626 4.853 -15.375 501 H GLU 76 H GLU 76 -5.395 4.637 -15.917 502 HA GLU 76 HA GLU 76 -6.385 2.000 -16.121 503 HB2 GLU 76 2HB GLU 76 -7.609 4.677 -15.586 504 HB3 GLU 76 3HB GLU 76 -8.658 3.303 -15.904 505 HG2 GLU 76 2HG GLU 76 -6.624 3.543 -13.701 506 HG3 GLU 76 3HG GLU 76 -8.378 3.585 -13.534 507 H ALA 77 H ALA 77 -6.747 4.854 -18.179 508 HA ALA 77 HA ALA 77 -8.631 3.854 -19.975 509 HB1 ALA 77 1HB ALA 77 -6.929 5.462 -21.489 510 HB2 ALA 77 2HB ALA 77 -8.394 5.961 -20.641 511 HB3 ALA 77 3HB ALA 77 -6.825 6.098 -19.847 512 H PHE 78 H PHE 78 -5.075 3.793 -20.208 513 HA PHE 78 HA PHE 78 -4.964 2.349 -22.621 514 HB2 PHE 78 2HB PHE 78 -3.054 3.068 -20.472 515 HB3 PHE 78 3HB PHE 78 -2.614 1.691 -21.477 516 HD1 PHE 78 HD1 PHE 78 -1.753 1.996 -23.633 517 HD2 PHE 78 HD2 PHE 78 -3.532 5.274 -21.582 518 HE1 PHE 78 HE1 PHE 78 -0.925 3.528 -25.371 519 HE2 PHE 78 HE2 PHE 78 -2.708 6.811 -23.317 520 HZ PHE 78 HZ PHE 78 -1.404 5.939 -25.215 521 H GLN 79 H GLN 79 -4.935 1.309 -19.242 522 HA GLN 79 HA GLN 79 -4.380 -1.391 -19.616 523 HB2 GLN 79 2HB GLN 79 -5.240 0.279 -17.483 524 HB3 GLN 79 3HB GLN 79 -6.301 -1.123 -17.520 525 HG2 GLN 79 2HG GLN 79 -4.452 -2.616 -17.303 526 HG3 GLN 79 3HG GLN 79 -3.299 -1.297 -17.504 527 HE21 GLN 79 1HE2 GLN 79 -2.564 -2.382 -15.445 528 HE22 GLN 79 2HE2 GLN 79 -3.210 -1.760 -13.968 529 H LYS 80 H LYS 80 -7.490 0.306 -19.661 530 HA LYS 80 HA LYS 80 -9.145 -1.933 -19.948 531 HB2 LYS 80 2HB LYS 80 -9.961 0.336 -19.408 532 HB3 LYS 80 3HB LYS 80 -9.573 0.854 -21.043 533 HG2 LYS 80 2HG LYS 80 -11.223 -0.641 -21.960 534 HG3 LYS 80 3HG LYS 80 -11.550 -1.311 -20.360 535 HD2 LYS 80 2HD LYS 80 -13.234 0.195 -20.377 536 HD3 LYS 80 3HD LYS 80 -11.961 1.306 -19.867 537 HE2 LYS 80 2HE LYS 80 -11.961 1.074 -22.724 538 HE3 LYS 80 3HE LYS 80 -13.586 1.463 -22.161 539 HZ1 LYS 80 1HZ LYS 80 -11.846 3.070 -20.727 540 HZ2 LYS 80 2HZ LYS 80 -12.918 3.548 -21.944 541 HZ3 LYS 80 3HZ LYS 80 -11.322 3.143 -22.334 542 H ALA 81 H ALA 81 -8.341 0.367 -22.554 543 HA ALA 81 HA ALA 81 -8.255 -1.919 -24.412 544 HB1 ALA 81 1HB ALA 81 -8.994 0.161 -26.011 545 HB2 ALA 81 2HB ALA 81 -10.099 -1.026 -25.317 546 HB3 ALA 81 3HB ALA 81 -9.857 0.528 -24.517 547 HA PRO 82 HA PRO 82 -4.351 -0.513 -25.839 548 HB2 PRO 82 2HB PRO 82 -4.496 -0.993 -28.507 549 HB3 PRO 82 3HB PRO 82 -4.356 -2.282 -27.305 550 HG2 PRO 82 2HG PRO 82 -6.791 -1.269 -28.722 551 HG3 PRO 82 3HG PRO 82 -6.309 -2.941 -28.382 552 HD2 PRO 82 2HD PRO 82 -8.151 -1.625 -26.897 553 HD3 PRO 82 3HD PRO 82 -7.066 -2.850 -26.207 554 HA PRO 83 HA PRO 83 -4.434 3.597 -27.401 555 HB2 PRO 83 2HB PRO 83 -2.179 3.712 -28.909 556 HB3 PRO 83 3HB PRO 83 -2.151 3.649 -27.143 557 HG2 PRO 83 2HG PRO 83 -1.745 1.442 -29.124 558 HG3 PRO 83 3HG PRO 83 -0.845 1.789 -27.636 559 HD2 PRO 83 2HD PRO 83 -2.756 -0.125 -27.769 560 HD3 PRO 83 3HD PRO 83 -2.441 0.809 -26.292 561 H MET 84 H MET 84 -3.902 1.083 -29.829 562 HA MET 84 HA MET 84 -4.650 0.834 -31.962 563 HB2 MET 84 2HB MET 84 -6.701 2.298 -30.592 564 HB3 MET 84 3HB MET 84 -6.588 2.878 -32.248 565 HG2 MET 84 2HG MET 84 -6.480 0.032 -32.260 566 HG3 MET 84 3HG MET 84 -7.854 0.552 -31.287 567 HE1 MET 84 1HE MET 84 -7.831 -0.303 -35.415 568 HE2 MET 84 2HE MET 84 -7.285 -1.032 -33.905 569 HE3 MET 84 3HE MET 84 -9.010 -0.913 -34.253 570 H TYR 85 H TYR 85 -2.821 1.500 -33.036 571 HA TYR 85 HA TYR 85 -2.801 4.307 -33.934 572 HB2 TYR 85 2HB TYR 85 -0.789 2.885 -32.583 573 HB3 TYR 85 3HB TYR 85 -0.245 3.003 -34.252 574 HD1 TYR 85 HD1 TYR 85 0.106 4.506 -31.222 575 HD2 TYR 85 HD2 TYR 85 -0.885 5.529 -35.231 576 HE1 TYR 85 HE1 TYR 85 0.847 6.815 -30.810 577 HE2 TYR 85 HE2 TYR 85 -0.146 7.840 -34.831 578 HH TYR 85 HH TYR 85 0.388 9.346 -33.202 579 H ASP 86 H ASP 86 -3.045 4.630 -36.041 580 HA ASP 86 HA ASP 86 -3.614 2.626 -37.871 581 HB2 ASP 86 2HB ASP 86 -3.025 5.516 -38.016 582 HB3 ASP 86 3HB ASP 86 -2.757 4.619 -39.508 583 H ASP 87 H ASP 87 -0.554 4.323 -37.300 584 HA ASP 87 HA ASP 87 0.963 3.279 -39.360 585 HB2 ASP 87 2HB ASP 87 1.450 4.769 -37.028 586 HB3 ASP 87 3HB ASP 87 2.525 3.377 -36.933 587 H VAL 88 H VAL 88 0.937 2.012 -36.022 588 HA VAL 88 HA VAL 88 1.298 -0.688 -37.139 589 HB VAL 88 HB VAL 88 2.736 0.418 -34.722 590 HG11 VAL 88 1HG1 VAL 88 2.300 -1.848 -34.267 591 HG12 VAL 88 2HG1 VAL 88 2.622 -2.330 -35.934 592 HG13 VAL 88 3HG1 VAL 88 3.948 -1.812 -34.892 593 HG21 VAL 88 1HG2 VAL 88 4.771 -0.043 -36.112 594 HG22 VAL 88 2HG2 VAL 88 3.696 -0.298 -37.488 595 HG23 VAL 88 3HG2 VAL 88 3.759 1.278 -36.698 596 H GLN 89 H GLN 89 -0.090 -2.150 -36.377 597 HA GLN 89 HA GLN 89 -2.180 -1.440 -34.627 598 HB2 GLN 89 2HB GLN 89 -2.121 -3.278 -36.428 599 HB3 GLN 89 3HB GLN 89 -1.362 -4.279 -35.198 600 HG2 GLN 89 2HG GLN 89 -3.363 -4.816 -34.440 601 HG3 GLN 89 3HG GLN 89 -3.627 -3.129 -33.999 602 HE21 GLN 89 1HE2 GLN 89 -4.595 -5.684 -35.970 603 HE22 GLN 89 2HE2 GLN 89 -5.679 -4.813 -36.995 604 H LEU 90 H LEU 90 -2.187 -1.281 -32.493 605 HA LEU 90 HA LEU 90 -0.048 -2.582 -30.966 606 HB2 LEU 90 2HB LEU 90 -1.328 -0.042 -30.831 607 HB3 LEU 90 3HB LEU 90 -1.637 -0.902 -29.324 608 HG LEU 90 HG LEU 90 0.323 0.548 -29.159 609 HD11 LEU 90 1HD1 LEU 90 1.968 -1.235 -28.457 610 HD12 LEU 90 2HD1 LEU 90 0.801 -2.418 -29.046 611 HD13 LEU 90 3HD1 LEU 90 0.364 -1.330 -27.729 612 HD21 LEU 90 1HD2 LEU 90 1.399 -1.165 -31.394 613 HD22 LEU 90 2HD2 LEU 90 2.371 -0.058 -30.424 614 HD23 LEU 90 3HD2 LEU 90 1.073 0.567 -31.441 615 H THR 91 H THR 91 -0.440 -4.040 -29.372 616 HA THR 91 HA THR 91 -3.252 -4.736 -28.833 617 HB THR 91 HB THR 91 -1.221 -6.909 -28.756 618 HG1 THR 91 HG1 THR 91 -2.338 -5.866 -31.166 619 HG21 THR 91 1HG2 THR 91 -3.613 -7.214 -28.116 620 HG22 THR 91 2HG2 THR 91 -3.089 -8.269 -29.428 621 HG23 THR 91 3HG2 THR 91 -4.060 -6.840 -29.780 622 H ALA 92 H ALA 92 -3.506 -3.988 -26.804 623 HA ALA 92 HA ALA 92 -1.466 -4.686 -24.801 624 HB1 ALA 92 1HB ALA 92 -1.874 -2.745 -23.708 625 HB2 ALA 92 2HB ALA 92 -2.394 -2.233 -25.314 626 HB3 ALA 92 3HB ALA 92 -3.589 -2.743 -24.121 627 H GLU 93 H GLU 93 -2.022 -5.762 -22.940 628 HA GLU 93 HA GLU 93 -4.747 -6.881 -22.882 629 HB2 GLU 93 2HB GLU 93 -2.072 -8.043 -22.216 630 HB3 GLU 93 3HB GLU 93 -3.500 -8.654 -21.392 631 HG2 GLU 93 2HG GLU 93 -3.167 -8.552 -24.380 632 HG3 GLU 93 3HG GLU 93 -2.857 -9.970 -23.380 633 H MET 94 H MET 94 -5.472 -7.543 -20.649 634 HA MET 94 HA MET 94 -4.840 -5.368 -18.781 635 HB2 MET 94 2HB MET 94 -7.258 -6.107 -19.701 636 HB3 MET 94 3HB MET 94 -7.163 -7.141 -18.282 637 HG2 MET 94 2HG MET 94 -7.277 -5.403 -16.830 638 HG3 MET 94 3HG MET 94 -6.472 -4.286 -17.930 639 HE1 MET 94 1HE MET 94 -9.839 -6.097 -17.033 640 HE2 MET 94 2HE MET 94 -9.495 -4.665 -16.062 641 HE3 MET 94 3HE MET 94 -10.873 -4.674 -17.163 642 H LYS 95 H LYS 95 -4.547 -5.805 -16.553 643 HA LYS 95 HA LYS 95 -2.931 -8.033 -15.988 644 HB2 LYS 95 2HB LYS 95 -3.047 -7.290 -13.649 645 HB3 LYS 95 3HB LYS 95 -2.747 -5.945 -14.741 646 HG2 LYS 95 2HG LYS 95 -5.257 -5.526 -14.652 647 HG3 LYS 95 3HG LYS 95 -5.272 -6.633 -13.277 648 HD2 LYS 95 2HD LYS 95 -3.754 -5.222 -12.057 649 HD3 LYS 95 3HD LYS 95 -3.532 -4.175 -13.461 650 HE2 LYS 95 2HE LYS 95 -5.274 -2.949 -12.836 651 HE3 LYS 95 3HE LYS 95 -6.317 -4.368 -12.917 652 HZ1 LYS 95 1HZ LYS 95 -4.663 -4.227 -10.554 653 HZ2 LYS 95 2HZ LYS 95 -6.306 -4.598 -10.705 654 HZ3 LYS 95 3HZ LYS 95 -5.803 -2.983 -10.678 655 H THR 96 H THR 96 -6.357 -7.426 -15.490 656 HA THR 96 HA THR 96 -6.905 -9.623 -13.816 657 HB THR 96 HB THR 96 -9.020 -8.824 -15.726 658 HG1 THR 96 HG1 THR 96 -8.770 -6.756 -15.407 659 HG21 THR 96 1HG2 THR 96 -9.227 -10.236 -13.588 660 HG22 THR 96 2HG2 THR 96 -10.409 -8.951 -13.841 661 HG23 THR 96 3HG2 THR 96 -9.065 -8.707 -12.724 662 H THR 97 H THR 97 -7.059 -9.260 -17.344 663 HA THR 97 HA THR 97 -8.085 -11.768 -17.979 664 HB THR 97 HB THR 97 -5.998 -10.446 -19.692 665 HG1 THR 97 HG1 THR 97 -8.729 -9.658 -19.441 666 HG21 THR 97 1HG2 THR 97 -7.493 -12.666 -20.101 667 HG22 THR 97 2HG2 THR 97 -6.904 -11.624 -21.396 668 HG23 THR 97 3HG2 THR 97 -8.549 -11.434 -20.790 669 H TYR 98 H TYR 98 -4.651 -10.791 -18.052 670 HA TYR 98 HA TYR 98 -3.564 -13.296 -18.521 671 HB2 TYR 98 2HB TYR 98 -2.587 -10.725 -17.486 672 HB3 TYR 98 3HB TYR 98 -1.660 -12.119 -16.940 673 HD1 TYR 98 HD1 TYR 98 -1.908 -9.705 -19.436 674 HD2 TYR 98 HD2 TYR 98 -1.110 -13.851 -18.913 675 HE1 TYR 98 HE1 TYR 98 -0.709 -9.738 -21.583 676 HE2 TYR 98 HE2 TYR 98 0.093 -13.896 -21.059 677 HH TYR 98 HH TYR 98 -0.133 -12.214 -23.329 678 H LEU 99 H LEU 99 -4.242 -11.723 -15.409 679 HA LEU 99 HA LEU 99 -3.214 -13.632 -13.695 680 HB2 LEU 99 2HB LEU 99 -4.161 -11.398 -13.083 681 HB3 LEU 99 3HB LEU 99 -5.769 -12.099 -13.250 682 HG LEU 99 HG LEU 99 -3.922 -13.482 -11.401 683 HD11 LEU 99 1HD1 LEU 99 -4.998 -10.722 -10.892 684 HD12 LEU 99 2HD1 LEU 99 -3.335 -11.289 -10.752 685 HD13 LEU 99 3HD1 LEU 99 -4.551 -11.833 -9.597 686 HD21 LEU 99 1HD2 LEU 99 -6.832 -12.698 -11.367 687 HD22 LEU 99 2HD2 LEU 99 -6.022 -13.563 -10.060 688 HD23 LEU 99 3HD2 LEU 99 -6.157 -14.302 -11.656 689 H GLU 100 H GLU 100 -6.453 -13.493 -15.146 690 HA GLU 100 HA GLU 100 -7.443 -15.822 -13.894 691 HB2 GLU 100 2HB GLU 100 -8.618 -13.887 -15.296 692 HB3 GLU 100 3HB GLU 100 -8.432 -15.055 -16.597 693 HG2 GLU 100 2HG GLU 100 -9.464 -16.616 -14.635 694 HG3 GLU 100 3HG GLU 100 -10.235 -15.069 -14.289 695 H ARG 101 H ARG 101 -5.722 -15.278 -16.919 696 HA ARG 101 HA ARG 101 -6.052 -17.807 -18.063 697 HB2 ARG 101 2HB ARG 101 -4.606 -15.460 -18.644 698 HB3 ARG 101 3HB ARG 101 -3.427 -16.765 -18.620 699 HG2 ARG 101 2HG ARG 101 -4.266 -16.454 -20.856 700 HG3 ARG 101 3HG ARG 101 -4.806 -18.013 -20.228 701 HD2 ARG 101 2HD ARG 101 -6.999 -17.242 -19.897 702 HD3 ARG 101 3HD ARG 101 -6.514 -15.552 -20.033 703 HE ARG 101 HE ARG 101 -5.906 -16.592 -22.465 704 HH11 ARG 101 1HH1 ARG 101 -8.784 -16.541 -20.506 705 HH12 ARG 101 2HH1 ARG 101 -9.864 -16.563 -21.861 706 HH21 ARG 101 1HH2 ARG 101 -7.317 -16.622 -24.257 707 HH22 ARG 101 2HH2 ARG 101 -9.028 -16.610 -23.994 708 H LYS 102 H LYS 102 -3.251 -16.589 -16.217 709 HA LYS 102 HA LYS 102 -1.912 -19.041 -16.039 710 HB2 LYS 102 2HB LYS 102 -0.686 -17.999 -14.142 711 HB3 LYS 102 3HB LYS 102 -0.756 -16.978 -15.572 712 HG2 LYS 102 2HG LYS 102 -2.694 -15.790 -14.510 713 HG3 LYS 102 3HG LYS 102 -2.348 -16.700 -13.037 714 HD2 LYS 102 2HD LYS 102 -0.194 -15.124 -14.399 715 HD3 LYS 102 3HD LYS 102 -1.344 -14.329 -13.321 716 HE2 LYS 102 2HE LYS 102 -0.727 -16.051 -11.586 717 HE3 LYS 102 3HE LYS 102 0.577 -16.553 -12.661 718 HZ1 LYS 102 1HZ LYS 102 1.258 -14.115 -12.605 719 HZ2 LYS 102 2HZ LYS 102 1.559 -15.036 -11.218 720 HZ3 LYS 102 3HZ LYS 102 0.242 -13.974 -11.259 721 H ALA 103 H ALA 103 -4.242 -17.514 -13.852 722 HA ALA 103 HA ALA 103 -4.124 -19.288 -11.727 723 HB1 ALA 103 1HB ALA 103 -6.518 -17.814 -12.816 724 HB2 ALA 103 2HB ALA 103 -6.445 -18.599 -11.238 725 HB3 ALA 103 3HB ALA 103 -5.385 -17.235 -11.594 726 H GLU 104 H GLU 104 -6.087 -19.489 -14.680 727 HA GLU 104 HA GLU 104 -7.363 -21.926 -13.963 728 HB2 GLU 104 2HB GLU 104 -7.501 -20.049 -16.098 729 HB3 GLU 104 3HB GLU 104 -7.258 -21.642 -16.800 730 HG2 GLU 104 2HG GLU 104 -9.171 -22.309 -15.126 731 HG3 GLU 104 3HG GLU 104 -9.546 -20.590 -15.225 732 H GLU 105 H GLU 105 -4.455 -21.119 -15.768 733 HA GLU 105 HA GLU 105 -3.923 -23.604 -16.918 734 HB2 GLU 105 2HB GLU 105 -2.677 -21.615 -17.539 735 HB3 GLU 105 3HB GLU 105 -2.000 -21.496 -15.921 736 HG2 GLU 105 2HG GLU 105 -0.580 -23.289 -16.238 737 HG3 GLU 105 3HG GLU 105 -1.545 -23.951 -17.557 738 H ILE 106 H ILE 106 -2.462 -22.287 -13.939 739 HA ILE 106 HA ILE 106 -1.253 -24.673 -13.121 740 HB ILE 106 HB ILE 106 -0.625 -22.522 -12.164 741 HG12 ILE 106 2HG1 ILE 106 -1.527 -23.664 -9.663 742 HG13 ILE 106 3HG1 ILE 106 -0.978 -24.925 -10.762 743 HG21 ILE 106 1HG2 ILE 106 -2.015 -21.295 -10.662 744 HG22 ILE 106 2HG2 ILE 106 -2.949 -21.603 -12.125 745 HG23 ILE 106 3HG2 ILE 106 -3.241 -22.562 -10.674 746 HD11 ILE 106 1HD1 ILE 106 0.677 -22.489 -10.223 747 HD12 ILE 106 2HD1 ILE 106 0.726 -23.904 -9.170 748 HD13 ILE 106 3HD1 ILE 106 1.179 -24.052 -10.868 749 H ALA 107 H ALA 107 -4.497 -23.441 -12.629 750 HA ALA 107 HA ALA 107 -5.322 -25.186 -10.591 751 HB1 ALA 107 1HB ALA 107 -6.597 -23.209 -11.203 752 HB2 ALA 107 2HB ALA 107 -6.966 -23.916 -12.777 753 HB3 ALA 107 3HB ALA 107 -7.604 -24.654 -11.308 754 H ALA 108 H ALA 108 -5.526 -25.483 -14.126 755 HA ALA 108 HA ALA 108 -6.856 -27.968 -14.159 756 HB1 ALA 108 1HB ALA 108 -5.960 -26.130 -16.056 757 HB2 ALA 108 2HB ALA 108 -5.121 -27.635 -16.434 758 HB3 ALA 108 3HB ALA 108 -6.882 -27.604 -16.350 759 H LYS 109 H LYS 109 -3.438 -27.100 -14.098 760 HA LYS 109 HA LYS 109 -2.364 -29.643 -14.586 761 HB2 LYS 109 2HB LYS 109 -1.204 -27.427 -12.886 762 HB3 LYS 109 3HB LYS 109 -0.310 -28.780 -13.568 763 HG2 LYS 109 2HG LYS 109 -1.518 -27.677 -15.772 764 HG3 LYS 109 3HG LYS 109 -1.121 -26.266 -14.788 765 HD2 LYS 109 2HD LYS 109 0.950 -28.376 -15.138 766 HD3 LYS 109 3HD LYS 109 0.615 -27.297 -16.494 767 HE2 LYS 109 2HE LYS 109 0.933 -25.994 -13.871 768 HE3 LYS 109 3HE LYS 109 2.383 -26.756 -14.523 769 HZ1 LYS 109 1HZ LYS 109 2.582 -24.774 -15.543 770 HZ2 LYS 109 2HZ LYS 109 0.928 -24.425 -15.470 771 HZ3 LYS 109 3HZ LYS 109 1.521 -25.461 -16.669 772 H LYS 110 H LYS 110 -2.861 -27.988 -11.464 773 HA LYS 110 HA LYS 110 -2.397 -30.451 -10.017 774 HB2 LYS 110 2HB LYS 110 -2.535 -27.606 -9.389 775 HB3 LYS 110 3HB LYS 110 -3.372 -28.597 -8.200 776 HG2 LYS 110 2HG LYS 110 -1.435 -29.733 -7.599 777 HG3 LYS 110 3HG LYS 110 -0.593 -29.275 -9.081 778 HD2 LYS 110 2HD LYS 110 -0.786 -26.870 -8.233 779 HD3 LYS 110 3HD LYS 110 -1.213 -27.582 -6.676 780 HE2 LYS 110 2HE LYS 110 1.233 -28.531 -8.096 781 HE3 LYS 110 3HE LYS 110 1.278 -26.989 -7.243 782 HZ1 LYS 110 1HZ LYS 110 0.859 -29.693 -6.146 783 HZ2 LYS 110 2HZ LYS 110 0.313 -28.334 -5.302 784 HZ3 LYS 110 3HZ LYS 110 1.958 -28.505 -5.655 Start of MODEL 13 1 H1 THR 12 H THR 12 0.634 -0.357 0.738 2 HA THR 12 HA THR 12 1.305 0.544 -1.285 3 HB THR 12 HB THR 12 3.047 -1.041 -2.368 4 HG1 THR 12 HG1 THR 12 2.294 -2.985 -1.465 5 HG21 THR 12 1HG2 THR 12 3.588 0.831 -0.856 6 HG22 THR 12 2HG2 THR 12 4.667 -0.544 -0.622 7 HG23 THR 12 3HG2 THR 12 3.364 -0.239 0.526 8 H ASP 13 H ASP 13 0.918 0.676 -3.466 9 HA ASP 13 HA ASP 13 -0.578 -1.557 -4.673 10 HB2 ASP 13 2HB ASP 13 -1.846 0.206 -5.955 11 HB3 ASP 13 3HB ASP 13 -2.180 0.160 -4.227 12 H HIS 14 H HIS 14 0.151 -2.268 -6.577 13 HA HIS 14 HA HIS 14 2.089 -0.592 -8.032 14 HB2 HIS 14 2HB HIS 14 3.226 -2.682 -8.719 15 HB3 HIS 14 3HB HIS 14 3.256 -2.443 -6.974 16 HD1 HIS 14 HD1 HIS 14 1.953 -4.118 -5.525 17 HD2 HIS 14 HD2 HIS 14 1.677 -4.857 -9.604 18 HE1 HIS 14 HE1 HIS 14 0.949 -6.415 -5.726 19 H GLN 15 H GLN 15 1.798 -0.349 -10.183 20 HA GLN 15 HA GLN 15 -0.376 -1.893 -11.434 21 HB2 GLN 15 2HB GLN 15 -0.921 0.095 -12.765 22 HB3 GLN 15 3HB GLN 15 -1.083 0.409 -11.043 23 HG2 GLN 15 2HG GLN 15 1.498 1.159 -11.521 24 HG3 GLN 15 3HG GLN 15 0.688 1.622 -13.017 25 HE21 GLN 15 1HE2 GLN 15 1.838 3.206 -10.778 26 HE22 GLN 15 2HE2 GLN 15 0.564 4.260 -10.276 27 H THR 16 H THR 16 0.050 -2.853 -13.333 28 HA THR 16 HA THR 16 2.328 -1.995 -14.934 29 HB THR 16 HB THR 16 2.149 -4.917 -14.290 30 HG1 THR 16 HG1 THR 16 3.819 -4.441 -12.674 31 HG21 THR 16 1HG2 THR 16 3.543 -4.212 -16.166 32 HG22 THR 16 2HG2 THR 16 4.539 -4.839 -14.853 33 HG23 THR 16 3HG2 THR 16 4.416 -3.100 -15.114 34 H VAL 17 H VAL 17 1.988 -2.252 -17.069 35 HA VAL 17 HA VAL 17 -0.394 -3.786 -17.881 36 HB VAL 17 HB VAL 17 0.830 -1.460 -19.364 37 HG11 VAL 17 1HG1 VAL 17 -0.380 -2.848 -20.857 38 HG12 VAL 17 2HG1 VAL 17 -1.709 -3.039 -19.711 39 HG13 VAL 17 3HG1 VAL 17 -1.427 -1.478 -20.485 40 HG21 VAL 17 1HG2 VAL 17 0.013 -0.375 -17.511 41 HG22 VAL 17 2HG2 VAL 17 -1.419 -0.389 -18.540 42 HG23 VAL 17 3HG2 VAL 17 -1.258 -1.567 -17.238 43 H TYR 18 H TYR 18 -0.296 -5.071 -19.725 44 HA TYR 18 HA TYR 18 2.433 -5.688 -20.646 45 HB2 TYR 18 2HB TYR 18 0.054 -7.539 -20.782 46 HB3 TYR 18 3HB TYR 18 1.753 -7.948 -20.993 47 HD1 TYR 18 HD1 TYR 18 3.187 -8.315 -19.099 48 HD2 TYR 18 HD2 TYR 18 -0.847 -7.085 -18.539 49 HE1 TYR 18 HE1 TYR 18 3.354 -8.875 -16.710 50 HE2 TYR 18 HE2 TYR 18 -0.691 -7.640 -16.148 51 HH TYR 18 HH TYR 18 1.626 -7.808 -14.446 52 H VAL 19 H VAL 19 2.912 -5.332 -22.709 53 HA VAL 19 HA VAL 19 0.701 -5.075 -24.642 54 HB VAL 19 HB VAL 19 3.254 -3.464 -24.705 55 HG11 VAL 19 1HG1 VAL 19 0.843 -3.660 -26.440 56 HG12 VAL 19 2HG1 VAL 19 1.635 -2.093 -26.263 57 HG13 VAL 19 3HG1 VAL 19 2.540 -3.476 -26.881 58 HG21 VAL 19 1HG2 VAL 19 1.192 -1.696 -24.288 59 HG22 VAL 19 2HG2 VAL 19 0.767 -3.049 -23.239 60 HG23 VAL 19 3HG2 VAL 19 2.332 -2.255 -23.064 61 H LYS 20 H LYS 20 1.091 -5.789 -26.751 62 HA LYS 20 HA LYS 20 2.568 -8.095 -27.078 63 HB2 LYS 20 2HB LYS 20 2.394 -7.553 -29.577 64 HB3 LYS 20 3HB LYS 20 0.893 -7.692 -28.673 65 HG2 LYS 20 2HG LYS 20 0.324 -5.578 -29.083 66 HG3 LYS 20 3HG LYS 20 1.944 -4.978 -28.719 67 HD2 LYS 20 2HD LYS 20 1.880 -6.483 -31.196 68 HD3 LYS 20 3HD LYS 20 0.751 -5.126 -31.222 69 HE2 LYS 20 2HE LYS 20 2.496 -3.576 -30.710 70 HE3 LYS 20 3HE LYS 20 3.638 -4.882 -30.397 71 HZ1 LYS 20 1HZ LYS 20 2.381 -4.693 -33.044 72 HZ2 LYS 20 2HZ LYS 20 3.896 -5.312 -32.616 73 HZ3 LYS 20 3HZ LYS 20 3.649 -3.639 -32.666 74 HA PRO 21 HA PRO 21 6.768 -6.980 -27.687 75 HB2 PRO 21 2HB PRO 21 7.551 -8.780 -29.563 76 HB3 PRO 21 3HB PRO 21 7.222 -9.224 -27.884 77 HG2 PRO 21 2HG PRO 21 5.468 -9.501 -30.294 78 HG3 PRO 21 3HG PRO 21 5.750 -10.654 -28.977 79 HD2 PRO 21 2HD PRO 21 3.546 -9.086 -29.094 80 HD3 PRO 21 3HD PRO 21 4.283 -9.584 -27.558 81 H VAL 22 H VAL 22 8.361 -6.245 -29.290 82 HA VAL 22 HA VAL 22 7.038 -4.905 -31.553 83 HB VAL 22 HB VAL 22 9.089 -3.399 -31.493 84 HG11 VAL 22 1HG1 VAL 22 8.052 -2.586 -29.033 85 HG12 VAL 22 2HG1 VAL 22 7.522 -2.073 -30.636 86 HG13 VAL 22 3HG1 VAL 22 6.731 -3.432 -29.837 87 HG21 VAL 22 1HG2 VAL 22 10.673 -3.612 -29.922 88 HG22 VAL 22 2HG2 VAL 22 9.499 -3.954 -28.650 89 HG23 VAL 22 3HG2 VAL 22 10.044 -5.247 -29.718 90 HA PRO 23 HA PRO 23 9.445 -7.108 -34.490 91 HB2 PRO 23 2HB PRO 23 9.826 -5.214 -36.398 92 HB3 PRO 23 3HB PRO 23 8.265 -5.995 -36.118 93 HG2 PRO 23 2HG PRO 23 9.241 -3.324 -35.183 94 HG3 PRO 23 3HG PRO 23 7.658 -3.767 -35.847 95 HD2 PRO 23 2HD PRO 23 8.091 -3.464 -33.192 96 HD3 PRO 23 3HD PRO 23 6.917 -4.626 -33.841 97 HA PRO 24 HA PRO 24 13.759 -6.374 -34.057 98 HB2 PRO 24 2HB PRO 24 14.738 -7.093 -36.484 99 HB3 PRO 24 3HB PRO 24 14.119 -8.264 -35.313 100 HG2 PRO 24 2HG PRO 24 12.766 -7.087 -37.710 101 HG3 PRO 24 3HG PRO 24 12.770 -8.766 -37.139 102 HD2 PRO 24 2HD PRO 24 10.699 -7.079 -36.691 103 HD3 PRO 24 3HD PRO 24 11.151 -8.360 -35.549 104 H THR 25 H THR 25 12.017 -4.708 -36.529 105 HA THR 25 HA THR 25 14.220 -2.998 -37.292 106 HB THR 25 HB THR 25 11.968 -1.750 -38.245 107 HG1 THR 25 HG1 THR 25 10.421 -3.185 -37.911 108 HG21 THR 25 1HG2 THR 25 13.737 -2.124 -39.717 109 HG22 THR 25 2HG2 THR 25 12.468 -3.175 -40.347 110 HG23 THR 25 3HG2 THR 25 13.777 -3.855 -39.381 111 H ALA 26 H ALA 26 11.319 -2.782 -35.293 112 HA ALA 26 HA ALA 26 11.363 -0.041 -34.757 113 HB1 ALA 26 1HB ALA 26 10.177 -0.736 -32.606 114 HB2 ALA 26 2HB ALA 26 9.423 -1.196 -34.133 115 HB3 ALA 26 3HB ALA 26 10.327 -2.389 -33.201 116 H THR 27 H THR 27 13.058 1.054 -34.015 117 HA THR 27 HA THR 27 14.972 -0.190 -32.222 118 HB THR 27 HB THR 27 16.258 1.889 -32.453 119 HG1 THR 27 HG1 THR 27 15.186 3.632 -32.963 120 HG21 THR 27 1HG2 THR 27 17.013 1.457 -34.582 121 HG22 THR 27 2HG2 THR 27 15.386 1.280 -35.239 122 HG23 THR 27 3HG2 THR 27 16.092 -0.013 -34.270 123 H LEU 28 H LEU 28 15.835 1.467 -30.466 124 HA LEU 28 HA LEU 28 13.736 1.721 -28.558 125 HB2 LEU 28 2HB LEU 28 16.438 1.463 -28.414 126 HB3 LEU 28 3HB LEU 28 16.235 3.171 -28.033 127 HG LEU 28 HG LEU 28 14.640 1.107 -26.566 128 HD11 LEU 28 1HD1 LEU 28 17.184 1.990 -25.360 129 HD12 LEU 28 2HD1 LEU 28 17.300 0.797 -26.653 130 HD13 LEU 28 3HD1 LEU 28 16.330 0.454 -25.220 131 HD21 LEU 28 1HD2 LEU 28 15.003 3.932 -26.460 132 HD22 LEU 28 2HD2 LEU 28 15.597 3.225 -24.957 133 HD23 LEU 28 3HD2 LEU 28 13.943 2.914 -25.486 134 H GLU 29 H GLU 29 15.670 4.056 -30.403 135 HA GLU 29 HA GLU 29 14.569 6.385 -29.293 136 HB2 GLU 29 2HB GLU 29 16.629 6.136 -30.801 137 HB3 GLU 29 3HB GLU 29 15.500 6.162 -32.148 138 HG2 GLU 29 2HG GLU 29 14.667 8.360 -31.295 139 HG3 GLU 29 3HG GLU 29 15.992 8.337 -30.133 140 H GLN 30 H GLN 30 13.555 4.393 -32.025 141 HA GLN 30 HA GLN 30 11.504 6.116 -32.935 142 HB2 GLN 30 2HB GLN 30 12.647 3.749 -33.809 143 HB3 GLN 30 3HB GLN 30 11.002 3.282 -33.403 144 HG2 GLN 30 2HG GLN 30 10.875 3.865 -35.641 145 HG3 GLN 30 3HG GLN 30 10.285 5.299 -34.803 146 HE21 GLN 30 1HE2 GLN 30 12.001 4.440 -37.346 147 HE22 GLN 30 2HE2 GLN 30 13.159 5.720 -37.421 148 H LEU 31 H LEU 31 11.455 3.258 -30.824 149 HA LEU 31 HA LEU 31 8.708 3.147 -30.375 150 HB2 LEU 31 2HB LEU 31 11.107 2.038 -29.186 151 HB3 LEU 31 3HB LEU 31 9.868 2.368 -27.977 152 HG LEU 31 HG LEU 31 9.364 0.722 -30.449 153 HD11 LEU 31 1HD1 LEU 31 10.903 -0.624 -29.409 154 HD12 LEU 31 2HD1 LEU 31 9.414 -1.151 -28.625 155 HD13 LEU 31 3HD1 LEU 31 10.498 -0.032 -27.798 156 HD21 LEU 31 1HD2 LEU 31 7.294 1.339 -29.672 157 HD22 LEU 31 2HD2 LEU 31 7.828 1.430 -27.993 158 HD23 LEU 31 3HD2 LEU 31 7.565 -0.141 -28.752 159 H THR 32 H THR 32 11.225 4.815 -28.494 160 HA THR 32 HA THR 32 9.512 5.910 -26.555 161 HB THR 32 HB THR 32 12.016 7.300 -27.471 162 HG1 THR 32 HG1 THR 32 11.774 4.874 -26.006 163 HG21 THR 32 1HG2 THR 32 11.421 8.533 -25.689 164 HG22 THR 32 2HG2 THR 32 12.002 7.170 -24.732 165 HG23 THR 32 3HG2 THR 32 10.286 7.313 -25.111 166 H GLU 33 H GLU 33 10.645 7.170 -29.664 167 HA GLU 33 HA GLU 33 9.637 9.755 -29.490 168 HB2 GLU 33 2HB GLU 33 11.127 8.963 -31.291 169 HB3 GLU 33 3HB GLU 33 9.807 8.011 -31.954 170 HG2 GLU 33 2HG GLU 33 8.988 10.740 -31.625 171 HG3 GLU 33 3HG GLU 33 10.483 10.655 -32.555 172 H PHE 34 H PHE 34 8.080 6.937 -31.031 173 HA PHE 34 HA PHE 34 5.633 8.170 -31.567 174 HB2 PHE 34 2HB PHE 34 6.711 5.481 -31.623 175 HB3 PHE 34 3HB PHE 34 5.040 5.482 -31.070 176 HD1 PHE 34 HD1 PHE 34 7.249 5.818 -33.882 177 HD2 PHE 34 HD2 PHE 34 3.282 6.528 -32.514 178 HE1 PHE 34 HE1 PHE 34 6.486 6.019 -36.212 179 HE2 PHE 34 HE2 PHE 34 2.512 6.730 -34.842 180 HZ PHE 34 HZ PHE 34 4.114 6.475 -36.695 181 H PHE 35 H PHE 35 6.733 6.387 -28.720 182 HA PHE 35 HA PHE 35 4.360 6.183 -27.318 183 HB2 PHE 35 2HB PHE 35 7.215 6.152 -26.655 184 HB3 PHE 35 3HB PHE 35 6.194 6.704 -25.330 185 HD1 PHE 35 HD1 PHE 35 3.884 5.162 -25.284 186 HD2 PHE 35 HD2 PHE 35 7.782 3.947 -26.487 187 HE1 PHE 35 HE1 PHE 35 3.319 2.828 -24.747 188 HE2 PHE 35 HE2 PHE 35 7.223 1.612 -25.953 189 HZ PHE 35 HZ PHE 35 4.989 1.049 -25.082 190 H SER 36 H SER 36 6.768 8.799 -27.025 191 HA SER 36 HA SER 36 5.221 10.421 -25.331 192 HB2 SER 36 2HB SER 36 7.620 10.840 -27.055 193 HB3 SER 36 3HB SER 36 6.774 12.267 -26.456 194 HG SER 36 HG SER 36 7.682 10.134 -24.818 195 H LYS 37 H LYS 37 5.403 10.175 -28.830 196 HA LYS 37 HA LYS 37 4.038 12.499 -29.541 197 HB2 LYS 37 2HB LYS 37 5.144 10.427 -30.913 198 HB3 LYS 37 3HB LYS 37 3.432 10.104 -31.155 199 HG2 LYS 37 2HG LYS 37 3.558 12.769 -31.682 200 HG3 LYS 37 3HG LYS 37 5.129 12.213 -32.265 201 HD2 LYS 37 2HD LYS 37 2.816 10.544 -33.016 202 HD3 LYS 37 3HD LYS 37 2.868 12.154 -33.738 203 HE2 LYS 37 2HE LYS 37 5.234 10.300 -33.769 204 HE3 LYS 37 3HE LYS 37 3.994 10.261 -35.022 205 HZ1 LYS 37 1HZ LYS 37 5.786 11.650 -35.736 206 HZ2 LYS 37 2HZ LYS 37 5.728 12.564 -34.314 207 HZ3 LYS 37 3HZ LYS 37 4.450 12.639 -35.420 208 H HIS 38 H HIS 38 2.830 9.362 -28.502 209 HA HIS 38 HA HIS 38 0.208 10.563 -28.058 210 HB2 HIS 38 2HB HIS 38 0.349 9.347 -30.345 211 HB3 HIS 38 3HB HIS 38 0.351 7.870 -29.386 212 HD1 HIS 38 HD1 HIS 38 -1.963 7.410 -30.660 213 HD2 HIS 38 HD2 HIS 38 -1.969 10.546 -27.936 214 HE1 HIS 38 HE1 HIS 38 -4.387 7.888 -30.191 215 H GLY 39 H GLY 39 -0.062 10.278 -25.941 216 HA2 GLY 39 2HA GLY 39 -0.703 8.863 -24.140 217 HA3 GLY 39 3HA GLY 39 0.233 7.565 -24.864 218 H THR 40 H THR 40 0.188 8.933 -22.140 219 HA THR 40 HA THR 40 3.037 9.666 -22.010 220 HB THR 40 HB THR 40 1.040 10.209 -19.825 221 HG1 THR 40 HG1 THR 40 1.135 12.420 -20.915 222 HG21 THR 40 1HG2 THR 40 3.603 10.382 -19.564 223 HG22 THR 40 2HG2 THR 40 2.613 11.734 -19.015 224 HG23 THR 40 3HG2 THR 40 3.456 11.829 -20.560 225 H VAL 41 H VAL 41 4.293 8.049 -21.368 226 HA VAL 41 HA VAL 41 3.250 6.170 -19.350 227 HB VAL 41 HB VAL 41 5.027 4.597 -20.225 228 HG11 VAL 41 1HG1 VAL 41 2.476 5.326 -21.393 229 HG12 VAL 41 2HG1 VAL 41 3.546 4.550 -22.563 230 HG13 VAL 41 3HG1 VAL 41 3.147 3.732 -21.052 231 HG21 VAL 41 1HG2 VAL 41 6.172 5.005 -22.184 232 HG22 VAL 41 2HG2 VAL 41 5.012 6.212 -22.738 233 HG23 VAL 41 3HG2 VAL 41 6.151 6.609 -21.452 234 H GLN 42 H GLN 42 4.451 5.735 -17.550 235 HA GLN 42 HA GLN 42 6.372 7.670 -16.749 236 HB2 GLN 42 2HB GLN 42 4.712 6.237 -15.324 237 HB3 GLN 42 3HB GLN 42 6.016 5.057 -15.327 238 HG2 GLN 42 2HG GLN 42 6.782 7.805 -14.608 239 HG3 GLN 42 3HG GLN 42 5.721 6.977 -13.470 240 HE21 GLN 42 1HE2 GLN 42 8.629 7.792 -13.448 241 HE22 GLN 42 2HE2 GLN 42 9.466 6.359 -12.971 242 H ALA 43 H ALA 43 6.670 4.141 -17.195 243 HA ALA 43 HA ALA 43 9.300 4.487 -18.363 244 HB1 ALA 43 1HB ALA 43 9.466 4.373 -15.772 245 HB2 ALA 43 2HB ALA 43 9.169 2.650 -16.010 246 HB3 ALA 43 3HB ALA 43 10.570 3.415 -16.760 247 H VAL 44 H VAL 44 10.224 2.359 -19.060 248 HA VAL 44 HA VAL 44 8.257 0.227 -19.382 249 HB VAL 44 HB VAL 44 7.930 1.674 -21.346 250 HG11 VAL 44 1HG1 VAL 44 9.712 1.891 -23.018 251 HG12 VAL 44 2HG1 VAL 44 10.158 2.642 -21.484 252 HG13 VAL 44 3HG1 VAL 44 10.828 1.071 -21.927 253 HG21 VAL 44 1HG2 VAL 44 7.741 -0.851 -21.415 254 HG22 VAL 44 2HG2 VAL 44 7.956 -0.045 -22.969 255 HG23 VAL 44 3HG2 VAL 44 9.321 -0.853 -22.199 256 H TRP 45 H TRP 45 9.146 -1.796 -19.725 257 HA TRP 45 HA TRP 45 11.922 -2.165 -20.321 258 HB2 TRP 45 2HB TRP 45 11.039 -2.049 -17.527 259 HB3 TRP 45 3HB TRP 45 11.920 -3.520 -17.928 260 HD1 TRP 45 HD1 TRP 45 14.159 -2.484 -19.798 261 HE1 TRP 45 HE1 TRP 45 15.991 -0.898 -18.932 262 HE3 TRP 45 HE3 TRP 45 11.731 -0.593 -15.716 263 HZ2 TRP 45 HZ2 TRP 45 16.359 0.915 -16.799 264 HZ3 TRP 45 HZ3 TRP 45 12.893 1.062 -14.315 265 HH2 TRP 45 HH2 TRP 45 15.159 1.799 -14.846 266 H ARG 46 H ARG 46 12.528 -4.548 -20.054 267 HA ARG 46 HA ARG 46 10.366 -6.438 -19.984 268 HB2 ARG 46 2HB ARG 46 10.728 -7.264 -22.303 269 HB3 ARG 46 3HB ARG 46 10.024 -5.655 -22.235 270 HG2 ARG 46 2HG ARG 46 12.976 -5.875 -22.450 271 HG3 ARG 46 3HG ARG 46 12.002 -6.244 -23.875 272 HD2 ARG 46 2HD ARG 46 11.120 -3.824 -22.540 273 HD3 ARG 46 3HD ARG 46 12.812 -3.733 -23.027 274 HE ARG 46 HE ARG 46 10.524 -3.703 -24.741 275 HH11 ARG 46 1HH1 ARG 46 13.884 -4.587 -24.530 276 HH12 ARG 46 2HH1 ARG 46 14.159 -4.462 -26.236 277 HH21 ARG 46 1HH2 ARG 46 10.872 -3.535 -26.989 278 HH22 ARG 46 2HH2 ARG 46 12.445 -3.863 -27.634 279 H ARG 47 H ARG 47 11.072 -8.499 -19.610 280 HA ARG 47 HA ARG 47 13.891 -9.140 -19.977 281 HB2 ARG 47 2HB ARG 47 14.268 -9.777 -17.699 282 HB3 ARG 47 3HB ARG 47 13.658 -8.127 -17.699 283 HG2 ARG 47 2HG ARG 47 11.426 -9.848 -17.498 284 HG3 ARG 47 3HG ARG 47 12.640 -10.409 -16.346 285 HD2 ARG 47 2HD ARG 47 12.771 -7.753 -15.919 286 HD3 ARG 47 3HD ARG 47 11.081 -7.905 -16.399 287 HE ARG 47 HE ARG 47 11.858 -9.826 -14.422 288 HH11 ARG 47 1HH1 ARG 47 10.797 -6.549 -14.932 289 HH12 ARG 47 2HH1 ARG 47 10.116 -6.385 -13.347 290 HH21 ARG 47 1HH2 ARG 47 10.966 -9.621 -12.332 291 HH22 ARG 47 2HH2 ARG 47 10.214 -8.132 -11.869 292 H TYR 48 H TYR 48 14.349 -11.416 -19.775 293 HA TYR 48 HA TYR 48 12.001 -13.172 -19.754 294 HB2 TYR 48 2HB TYR 48 12.840 -14.367 -21.746 295 HB3 TYR 48 3HB TYR 48 12.426 -12.695 -22.105 296 HD1 TYR 48 HD1 TYR 48 15.057 -15.177 -22.030 297 HD2 TYR 48 HD2 TYR 48 14.247 -11.017 -22.408 298 HE1 TYR 48 HE1 TYR 48 17.303 -14.831 -22.971 299 HE2 TYR 48 HE2 TYR 48 16.490 -10.660 -23.351 300 HH TYR 48 HH TYR 48 18.845 -12.098 -23.090 301 H PHE 49 H PHE 49 12.310 -14.885 -18.499 302 HA PHE 49 HA PHE 49 14.937 -15.397 -17.399 303 HB2 PHE 49 2HB PHE 49 12.172 -16.001 -16.674 304 HB3 PHE 49 3HB PHE 49 13.259 -17.361 -16.411 305 HD1 PHE 49 HD1 PHE 49 12.316 -14.016 -15.353 306 HD2 PHE 49 HD2 PHE 49 15.119 -17.177 -14.834 307 HE1 PHE 49 HE1 PHE 49 13.076 -12.992 -13.248 308 HE2 PHE 49 HE2 PHE 49 15.883 -16.159 -12.729 309 HZ PHE 49 HZ PHE 49 14.861 -14.065 -11.933 310 H ALA 50 H ALA 50 16.330 -16.790 -18.236 311 HA ALA 50 HA ALA 50 15.534 -18.596 -20.339 312 HB1 ALA 50 1HB ALA 50 17.605 -18.068 -20.961 313 HB2 ALA 50 2HB ALA 50 18.009 -17.455 -19.357 314 HB3 ALA 50 3HB ALA 50 18.168 -19.176 -19.709 315 H GLY 51 H GLY 51 16.302 -18.792 -16.939 316 HA2 GLY 51 2HA GLY 51 15.755 -20.526 -15.485 317 HA3 GLY 51 3HA GLY 51 15.326 -21.519 -16.870 318 H LYS 52 H LYS 52 17.598 -20.974 -14.458 319 HA LYS 52 HA LYS 52 19.422 -22.901 -15.712 320 HB2 LYS 52 2HB LYS 52 20.179 -20.291 -14.405 321 HB3 LYS 52 3HB LYS 52 21.326 -21.606 -14.623 322 HG2 LYS 52 2HG LYS 52 21.769 -20.409 -16.499 323 HG3 LYS 52 3HG LYS 52 20.486 -21.447 -17.124 324 HD2 LYS 52 2HD LYS 52 18.964 -19.744 -17.210 325 HD3 LYS 52 3HD LYS 52 19.701 -18.872 -15.864 326 HE2 LYS 52 2HE LYS 52 21.639 -18.886 -17.869 327 HE3 LYS 52 3HE LYS 52 20.120 -18.575 -18.707 328 HZ1 LYS 52 1HZ LYS 52 20.927 -16.487 -18.080 329 HZ2 LYS 52 2HZ LYS 52 21.358 -17.004 -16.529 330 HZ3 LYS 52 3HZ LYS 52 19.726 -16.830 -16.938 331 H LYS 53 H LYS 53 17.527 -23.706 -13.976 332 HA LYS 53 HA LYS 53 19.125 -24.572 -11.707 333 HB2 LYS 53 2HB LYS 53 17.339 -24.032 -10.084 334 HB3 LYS 53 3HB LYS 53 18.040 -22.594 -10.816 335 HG2 LYS 53 2HG LYS 53 15.805 -23.441 -12.376 336 HG3 LYS 53 3HG LYS 53 15.330 -23.333 -10.679 337 HD2 LYS 53 2HD LYS 53 15.733 -21.075 -10.570 338 HD3 LYS 53 3HD LYS 53 16.940 -21.119 -11.858 339 HE2 LYS 53 2HE LYS 53 15.260 -21.306 -13.532 340 HE3 LYS 53 3HE LYS 53 14.004 -21.592 -12.329 341 HZ1 LYS 53 1HZ LYS 53 14.727 -19.265 -11.484 342 HZ2 LYS 53 2HZ LYS 53 13.698 -19.387 -12.820 343 HZ3 LYS 53 3HZ LYS 53 15.345 -19.078 -13.048 344 H ASP 54 H ASP 54 17.688 -26.146 -10.327 345 HA ASP 54 HA ASP 54 16.478 -28.002 -12.244 346 HB2 ASP 54 2HB ASP 54 18.379 -28.675 -10.658 347 HB3 ASP 54 3HB ASP 54 17.171 -28.620 -9.377 348 H ALA 55 H ALA 55 15.076 -25.643 -11.215 349 HA ALA 55 HA ALA 55 12.902 -26.968 -9.729 350 HB1 ALA 55 1HB ALA 55 13.075 -25.287 -8.289 351 HB2 ALA 55 2HB ALA 55 14.236 -24.451 -9.321 352 HB3 ALA 55 3HB ALA 55 12.506 -24.209 -9.563 353 HA PRO 56 HA PRO 56 10.080 -26.284 -13.018 354 HB2 PRO 56 2HB PRO 56 7.808 -25.589 -11.703 355 HB3 PRO 56 3HB PRO 56 8.457 -27.233 -11.696 356 HG2 PRO 56 2HG PRO 56 8.708 -25.088 -9.623 357 HG3 PRO 56 3HG PRO 56 8.379 -26.818 -9.409 358 HD2 PRO 56 2HD PRO 56 10.835 -25.744 -9.026 359 HD3 PRO 56 3HD PRO 56 10.599 -27.396 -9.632 360 HA PRO 57 HA PRO 57 9.732 -22.057 -14.177 361 HB2 PRO 57 2HB PRO 57 7.372 -21.993 -15.518 362 HB3 PRO 57 3HB PRO 57 8.824 -22.766 -16.165 363 HG2 PRO 57 2HG PRO 57 6.468 -24.007 -14.798 364 HG3 PRO 57 3HG PRO 57 7.345 -24.559 -16.237 365 HD2 PRO 57 2HD PRO 57 7.755 -25.626 -13.782 366 HD3 PRO 57 3HD PRO 57 9.045 -25.497 -14.995 367 H GLU 58 H GLU 58 9.529 -20.991 -12.192 368 HA GLU 58 HA GLU 58 6.888 -20.694 -11.011 369 HB2 GLU 58 2HB GLU 58 9.053 -21.013 -9.686 370 HB3 GLU 58 3HB GLU 58 9.420 -19.344 -10.096 371 HG2 GLU 58 2HG GLU 58 8.435 -19.505 -7.887 372 HG3 GLU 58 3HG GLU 58 7.385 -18.608 -8.983 373 H SER 59 H SER 59 9.404 -18.629 -12.433 374 HA SER 59 HA SER 59 7.699 -16.301 -12.352 375 HB2 SER 59 2HB SER 59 10.352 -16.621 -13.768 376 HB3 SER 59 3HB SER 59 9.564 -15.111 -13.312 377 HG SER 59 HG SER 59 11.057 -16.858 -11.792 378 H ARG 60 H ARG 60 7.457 -14.982 -14.407 379 HA ARG 60 HA ARG 60 6.557 -16.777 -16.556 380 HB2 ARG 60 2HB ARG 60 5.704 -13.924 -16.045 381 HB3 ARG 60 3HB ARG 60 4.989 -15.052 -17.188 382 HG2 ARG 60 2HG ARG 60 5.016 -15.514 -14.218 383 HG3 ARG 60 3HG ARG 60 3.703 -14.693 -15.066 384 HD2 ARG 60 2HD ARG 60 2.946 -16.604 -16.025 385 HD3 ARG 60 3HD ARG 60 4.559 -17.302 -16.159 386 HE ARG 60 HE ARG 60 4.005 -17.276 -13.473 387 HH11 ARG 60 1HH1 ARG 60 2.531 -18.634 -16.319 388 HH12 ARG 60 2HH1 ARG 60 1.857 -19.993 -15.481 389 HH21 ARG 60 1HH2 ARG 60 3.124 -19.060 -12.358 390 HH22 ARG 60 2HH2 ARG 60 2.195 -20.233 -13.228 391 H THR 61 H THR 61 7.799 -16.849 -18.297 392 HA THR 61 HA THR 61 9.407 -14.478 -18.987 393 HB THR 61 HB THR 61 10.906 -16.254 -18.504 394 HG1 THR 61 HG1 THR 61 11.960 -15.831 -20.281 395 HG21 THR 61 1HG2 THR 61 8.805 -17.900 -19.647 396 HG22 THR 61 2HG2 THR 61 10.099 -18.339 -18.533 397 HG23 THR 61 3HG2 THR 61 10.397 -18.330 -20.271 398 H LYS 62 H LYS 62 8.314 -13.381 -20.502 399 HA LYS 62 HA LYS 62 7.588 -14.812 -22.953 400 HB2 LYS 62 2HB LYS 62 5.532 -13.252 -23.043 401 HB3 LYS 62 3HB LYS 62 5.460 -14.669 -22.003 402 HG2 LYS 62 2HG LYS 62 6.461 -12.210 -20.733 403 HG3 LYS 62 3HG LYS 62 4.766 -12.189 -21.227 404 HD2 LYS 62 2HD LYS 62 5.811 -14.558 -19.746 405 HD3 LYS 62 3HD LYS 62 5.471 -13.073 -18.853 406 HE2 LYS 62 2HE LYS 62 3.280 -13.456 -18.922 407 HE3 LYS 62 3HE LYS 62 3.320 -13.695 -20.668 408 HZ1 LYS 62 1HZ LYS 62 4.304 -15.995 -19.976 409 HZ2 LYS 62 2HZ LYS 62 2.632 -15.739 -19.964 410 HZ3 LYS 62 3HZ LYS 62 3.507 -15.679 -18.517 411 HA PRO 63 HA PRO 63 9.473 -11.457 -25.061 412 HB2 PRO 63 2HB PRO 63 7.951 -11.279 -27.303 413 HB3 PRO 63 3HB PRO 63 9.086 -12.604 -27.014 414 HG2 PRO 63 2HG PRO 63 6.119 -12.532 -26.622 415 HG3 PRO 63 3HG PRO 63 7.123 -13.812 -27.327 416 HD2 PRO 63 2HD PRO 63 6.206 -13.916 -24.781 417 HD3 PRO 63 3HD PRO 63 7.762 -14.620 -25.265 418 H SER 64 H SER 64 6.152 -11.267 -24.148 419 HA SER 64 HA SER 64 5.395 -8.772 -25.091 420 HB2 SER 64 2HB SER 64 4.674 -9.853 -22.361 421 HB3 SER 64 3HB SER 64 3.728 -8.755 -23.367 422 HG SER 64 HG SER 64 2.820 -10.631 -23.850 423 H VAL 65 H VAL 65 5.413 -6.686 -24.173 424 HA VAL 65 HA VAL 65 7.736 -6.200 -22.442 425 HB VAL 65 HB VAL 65 7.651 -3.882 -23.239 426 HG11 VAL 65 1HG1 VAL 65 8.989 -5.536 -24.454 427 HG12 VAL 65 2HG1 VAL 65 7.606 -5.888 -25.492 428 HG13 VAL 65 3HG1 VAL 65 8.357 -4.293 -25.533 429 HG21 VAL 65 1HG2 VAL 65 5.322 -4.846 -24.895 430 HG22 VAL 65 2HG2 VAL 65 5.279 -3.638 -23.610 431 HG23 VAL 65 3HG2 VAL 65 6.139 -3.298 -25.112 432 H PHE 66 H PHE 66 7.599 -4.783 -20.671 433 HA PHE 66 HA PHE 66 4.877 -4.497 -19.592 434 HB2 PHE 66 2HB PHE 66 7.450 -4.436 -18.014 435 HB3 PHE 66 3HB PHE 66 5.812 -4.612 -17.394 436 HD1 PHE 66 HD1 PHE 66 8.735 -6.305 -18.508 437 HD2 PHE 66 HD2 PHE 66 4.524 -6.718 -18.048 438 HE1 PHE 66 HE1 PHE 66 8.968 -8.753 -18.606 439 HE2 PHE 66 HE2 PHE 66 4.750 -9.166 -18.144 440 HZ PHE 66 HZ PHE 66 6.974 -10.187 -18.423 441 H VAL 67 H VAL 67 4.066 -2.528 -19.283 442 HA VAL 67 HA VAL 67 5.921 -0.240 -19.202 443 HB VAL 67 HB VAL 67 4.214 1.096 -20.413 444 HG11 VAL 67 1HG1 VAL 67 5.653 -1.203 -21.618 445 HG12 VAL 67 2HG1 VAL 67 4.521 -0.314 -22.639 446 HG13 VAL 67 3HG1 VAL 67 5.869 0.528 -21.873 447 HG21 VAL 67 1HG2 VAL 67 2.873 -1.586 -20.679 448 HG22 VAL 67 2HG2 VAL 67 2.210 -0.107 -19.984 449 HG23 VAL 67 3HG2 VAL 67 2.502 -0.211 -21.720 450 H VAL 68 H VAL 68 5.452 1.381 -17.772 451 HA VAL 68 HA VAL 68 3.085 0.981 -16.059 452 HB VAL 68 HB VAL 68 5.788 2.018 -15.194 453 HG11 VAL 68 1HG1 VAL 68 3.133 1.846 -13.872 454 HG12 VAL 68 2HG1 VAL 68 4.570 1.525 -12.899 455 HG13 VAL 68 3HG1 VAL 68 4.392 3.072 -13.728 456 HG21 VAL 68 1HG2 VAL 68 6.316 -0.157 -15.125 457 HG22 VAL 68 2HG2 VAL 68 5.258 -0.226 -13.716 458 HG23 VAL 68 3HG2 VAL 68 4.637 -0.666 -15.306 459 H PHE 69 H PHE 69 1.690 2.600 -16.167 460 HA PHE 69 HA PHE 69 2.459 5.130 -17.338 461 HB2 PHE 69 2HB PHE 69 -0.190 4.066 -16.348 462 HB3 PHE 69 3HB PHE 69 0.017 5.670 -17.042 463 HD1 PHE 69 HD1 PHE 69 0.112 5.989 -19.372 464 HD2 PHE 69 HD2 PHE 69 0.259 2.055 -17.754 465 HE1 PHE 69 HE1 PHE 69 -0.196 5.054 -21.627 466 HE2 PHE 69 HE2 PHE 69 -0.047 1.114 -20.007 467 HZ PHE 69 HZ PHE 69 -0.274 2.613 -21.947 468 H ASN 70 H ASN 70 2.251 7.162 -16.341 469 HA ASN 70 HA ASN 70 2.781 7.108 -13.486 470 HB2 ASN 70 2HB ASN 70 4.141 8.473 -15.121 471 HB3 ASN 70 3HB ASN 70 2.735 9.515 -15.312 472 HD21 ASN 70 1HD2 ASN 70 5.585 9.241 -13.782 473 HD22 ASN 70 2HD2 ASN 70 5.275 10.204 -12.381 474 H SER 71 H SER 71 0.474 8.630 -15.716 475 HA SER 71 HA SER 71 -1.079 9.758 -13.572 476 HB2 SER 71 2HB SER 71 -2.478 9.611 -16.109 477 HB3 SER 71 3HB SER 71 -1.953 11.030 -15.203 478 HG SER 71 HG SER 71 -1.000 10.628 -17.379 479 H SER 72 H SER 72 -2.739 8.866 -12.527 480 HA SER 72 HA SER 72 -3.344 6.144 -12.730 481 HB2 SER 72 2HB SER 72 -5.256 8.176 -11.589 482 HB3 SER 72 3HB SER 72 -4.983 6.513 -11.068 483 HG SER 72 HG SER 72 -2.729 7.379 -10.643 484 H GLU 73 H GLU 73 -5.219 8.966 -13.826 485 HA GLU 73 HA GLU 73 -7.384 7.610 -14.915 486 HB2 GLU 73 2HB GLU 73 -6.560 10.246 -14.770 487 HB3 GLU 73 3HB GLU 73 -6.573 9.925 -16.498 488 HG2 GLU 73 2HG GLU 73 -8.853 9.460 -16.521 489 HG3 GLU 73 3HG GLU 73 -8.914 9.209 -14.778 490 H GLU 74 H GLU 74 -4.564 8.867 -16.708 491 HA GLU 74 HA GLU 74 -5.154 7.681 -19.152 492 HB2 GLU 74 2HB GLU 74 -3.141 9.283 -18.181 493 HB3 GLU 74 3HB GLU 74 -2.290 7.788 -18.543 494 HG2 GLU 74 2HG GLU 74 -2.229 9.330 -20.422 495 HG3 GLU 74 3HG GLU 74 -3.099 7.852 -20.829 496 H ALA 75 H ALA 75 -3.475 6.383 -16.347 497 HA ALA 75 HA ALA 75 -2.412 4.066 -17.489 498 HB1 ALA 75 1HB ALA 75 -2.440 3.155 -15.181 499 HB2 ALA 75 2HB ALA 75 -1.742 4.771 -15.292 500 HB3 ALA 75 3HB ALA 75 -3.382 4.559 -14.678 501 H GLU 76 H GLU 76 -5.528 4.526 -15.821 502 HA GLU 76 HA GLU 76 -6.446 1.888 -16.219 503 HB2 GLU 76 2HB GLU 76 -8.013 4.435 -15.778 504 HB3 GLU 76 3HB GLU 76 -8.680 2.812 -15.672 505 HG2 GLU 76 2HG GLU 76 -6.315 3.413 -13.999 506 HG3 GLU 76 3HG GLU 76 -7.844 4.166 -13.547 507 H ALA 77 H ALA 77 -6.813 4.851 -18.101 508 HA ALA 77 HA ALA 77 -8.705 3.978 -19.951 509 HB1 ALA 77 1HB ALA 77 -6.892 5.646 -21.324 510 HB2 ALA 77 2HB ALA 77 -8.437 6.083 -20.595 511 HB3 ALA 77 3HB ALA 77 -6.951 6.209 -19.654 512 H PHE 78 H PHE 78 -5.149 3.920 -20.228 513 HA PHE 78 HA PHE 78 -5.094 2.557 -22.696 514 HB2 PHE 78 2HB PHE 78 -3.111 3.174 -20.561 515 HB3 PHE 78 3HB PHE 78 -2.695 1.919 -21.724 516 HD1 PHE 78 HD1 PHE 78 -1.838 2.484 -23.808 517 HD2 PHE 78 HD2 PHE 78 -3.806 5.453 -21.478 518 HE1 PHE 78 HE1 PHE 78 -1.132 4.208 -25.415 519 HE2 PHE 78 HE2 PHE 78 -3.104 7.182 -23.082 520 HZ PHE 78 HZ PHE 78 -1.766 6.560 -25.054 521 H GLN 79 H GLN 79 -5.029 1.437 -19.354 522 HA GLN 79 HA GLN 79 -4.399 -1.241 -19.785 523 HB2 GLN 79 2HB GLN 79 -5.393 0.364 -17.625 524 HB3 GLN 79 3HB GLN 79 -6.299 -1.142 -17.689 525 HG2 GLN 79 2HG GLN 79 -4.515 -2.407 -17.111 526 HG3 GLN 79 3HG GLN 79 -3.361 -1.345 -17.916 527 HE21 GLN 79 1HE2 GLN 79 -3.216 -2.507 -15.271 528 HE22 GLN 79 2HE2 GLN 79 -3.105 -1.189 -14.160 529 H LYS 80 H LYS 80 -7.553 0.377 -19.799 530 HA LYS 80 HA LYS 80 -9.158 -1.885 -20.137 531 HB2 LYS 80 2HB LYS 80 -9.940 0.446 -19.608 532 HB3 LYS 80 3HB LYS 80 -9.688 0.852 -21.300 533 HG2 LYS 80 2HG LYS 80 -11.402 -0.599 -22.010 534 HG3 LYS 80 3HG LYS 80 -11.487 -1.390 -20.434 535 HD2 LYS 80 2HD LYS 80 -13.223 -0.006 -20.081 536 HD3 LYS 80 3HD LYS 80 -11.975 1.201 -19.762 537 HE2 LYS 80 2HE LYS 80 -12.052 1.819 -22.173 538 HE3 LYS 80 3HE LYS 80 -13.412 0.714 -22.368 539 HZ1 LYS 80 1HZ LYS 80 -13.768 3.255 -21.880 540 HZ2 LYS 80 2HZ LYS 80 -13.589 2.751 -20.275 541 HZ3 LYS 80 3HZ LYS 80 -14.809 2.085 -21.239 542 H ALA 81 H ALA 81 -8.380 0.454 -22.715 543 HA ALA 81 HA ALA 81 -8.218 -1.813 -24.591 544 HB1 ALA 81 1HB ALA 81 -10.014 -0.988 -25.612 545 HB2 ALA 81 2HB ALA 81 -9.974 0.486 -24.644 546 HB3 ALA 81 3HB ALA 81 -9.004 0.369 -26.112 547 HA PRO 82 HA PRO 82 -4.351 -0.274 -25.981 548 HB2 PRO 82 2HB PRO 82 -4.464 -0.738 -28.654 549 HB3 PRO 82 3HB PRO 82 -4.292 -2.031 -27.461 550 HG2 PRO 82 2HG PRO 82 -6.748 -1.084 -28.886 551 HG3 PRO 82 3HG PRO 82 -6.216 -2.743 -28.555 552 HD2 PRO 82 2HD PRO 82 -8.108 -1.497 -27.072 553 HD3 PRO 82 3HD PRO 82 -6.990 -2.692 -26.385 554 HA PRO 83 HA PRO 83 -4.553 3.843 -27.512 555 HB2 PRO 83 2HB PRO 83 -2.294 4.040 -29.005 556 HB3 PRO 83 3HB PRO 83 -2.275 3.965 -27.239 557 HG2 PRO 83 2HG PRO 83 -1.787 1.786 -29.234 558 HG3 PRO 83 3HG PRO 83 -0.908 2.150 -27.738 559 HD2 PRO 83 2HD PRO 83 -2.757 0.179 -27.898 560 HD3 PRO 83 3HD PRO 83 -2.481 1.110 -26.412 561 H MET 84 H MET 84 -3.937 1.361 -29.953 562 HA MET 84 HA MET 84 -4.654 1.110 -32.096 563 HB2 MET 84 2HB MET 84 -6.769 2.465 -30.721 564 HB3 MET 84 3HB MET 84 -6.667 3.088 -32.362 565 HG2 MET 84 2HG MET 84 -6.445 0.260 -32.467 566 HG3 MET 84 3HG MET 84 -7.826 0.675 -31.455 567 HE1 MET 84 1HE MET 84 -7.964 -0.834 -34.580 568 HE2 MET 84 2HE MET 84 -9.055 -0.763 -33.196 569 HE3 MET 84 3HE MET 84 -9.593 -0.183 -34.774 570 H TYR 85 H TYR 85 -2.845 1.858 -33.152 571 HA TYR 85 HA TYR 85 -2.932 4.672 -34.023 572 HB2 TYR 85 2HB TYR 85 -0.905 3.422 -32.612 573 HB3 TYR 85 3HB TYR 85 -0.331 3.369 -34.275 574 HD1 TYR 85 HD1 TYR 85 0.367 5.065 -31.567 575 HD2 TYR 85 HD2 TYR 85 -1.360 5.891 -35.366 576 HE1 TYR 85 HE1 TYR 85 1.099 7.406 -31.384 577 HE2 TYR 85 HE2 TYR 85 -0.632 8.234 -35.195 578 HH TYR 85 HH TYR 85 -0.082 9.836 -33.051 579 H ASP 86 H ASP 86 -3.161 5.009 -36.131 580 HA ASP 86 HA ASP 86 -3.669 3.027 -37.988 581 HB2 ASP 86 2HB ASP 86 -3.680 5.797 -37.987 582 HB3 ASP 86 3HB ASP 86 -2.472 5.395 -39.204 583 H ASP 87 H ASP 87 -0.622 4.722 -37.349 584 HA ASP 87 HA ASP 87 0.932 3.701 -39.392 585 HB2 ASP 87 2HB ASP 87 1.484 5.395 -37.465 586 HB3 ASP 87 3HB ASP 87 2.094 3.961 -36.643 587 H VAL 88 H VAL 88 0.912 2.409 -36.065 588 HA VAL 88 HA VAL 88 1.285 -0.281 -37.206 589 HB VAL 88 HB VAL 88 2.636 0.774 -34.717 590 HG11 VAL 88 1HG1 VAL 88 2.310 -1.497 -34.331 591 HG12 VAL 88 2HG1 VAL 88 2.546 -1.919 -36.028 592 HG13 VAL 88 3HG1 VAL 88 3.924 -1.436 -35.038 593 HG21 VAL 88 1HG2 VAL 88 4.722 0.382 -36.090 594 HG22 VAL 88 2HG2 VAL 88 3.666 0.256 -37.497 595 HG23 VAL 88 3HG2 VAL 88 3.729 1.757 -36.573 596 H GLN 89 H GLN 89 0.048 -1.866 -36.361 597 HA GLN 89 HA GLN 89 -2.154 -1.165 -34.706 598 HB2 GLN 89 2HB GLN 89 -1.131 -3.761 -35.825 599 HB3 GLN 89 3HB GLN 89 -2.491 -3.725 -34.710 600 HG2 GLN 89 2HG GLN 89 -3.529 -2.039 -36.332 601 HG3 GLN 89 3HG GLN 89 -2.300 -2.586 -37.472 602 HE21 GLN 89 1HE2 GLN 89 -5.347 -2.869 -37.137 603 HE22 GLN 89 2HE2 GLN 89 -5.622 -4.546 -37.449 604 H LEU 90 H LEU 90 -2.158 -0.962 -32.577 605 HA LEU 90 HA LEU 90 -0.061 -2.287 -31.014 606 HB2 LEU 90 2HB LEU 90 -1.409 0.256 -30.870 607 HB3 LEU 90 3HB LEU 90 -1.549 -0.610 -29.341 608 HG LEU 90 HG LEU 90 0.354 0.908 -29.328 609 HD11 LEU 90 1HD1 LEU 90 1.888 -0.553 -28.375 610 HD12 LEU 90 2HD1 LEU 90 1.493 -1.856 -29.495 611 HD13 LEU 90 3HD1 LEU 90 0.357 -1.414 -28.221 612 HD21 LEU 90 1HD2 LEU 90 1.257 -0.698 -31.711 613 HD22 LEU 90 2HD2 LEU 90 2.310 0.379 -30.793 614 HD23 LEU 90 3HD2 LEU 90 0.910 1.030 -31.647 615 H THR 91 H THR 91 -0.493 -3.832 -29.551 616 HA THR 91 HA THR 91 -3.317 -4.404 -28.936 617 HB THR 91 HB THR 91 -1.393 -6.673 -29.017 618 HG1 THR 91 HG1 THR 91 -2.515 -5.439 -31.329 619 HG21 THR 91 1HG2 THR 91 -3.660 -7.079 -28.287 620 HG22 THR 91 2HG2 THR 91 -3.418 -7.841 -29.859 621 HG23 THR 91 3HG2 THR 91 -4.302 -6.320 -29.743 622 H ALA 92 H ALA 92 -3.504 -3.784 -26.866 623 HA ALA 92 HA ALA 92 -1.423 -4.630 -24.963 624 HB1 ALA 92 1HB ALA 92 -1.619 -2.672 -23.905 625 HB2 ALA 92 2HB ALA 92 -2.453 -2.123 -25.359 626 HB3 ALA 92 3HB ALA 92 -3.381 -2.705 -23.977 627 H GLU 93 H GLU 93 -1.970 -5.743 -23.113 628 HA GLU 93 HA GLU 93 -4.713 -6.813 -23.051 629 HB2 GLU 93 2HB GLU 93 -2.047 -8.019 -22.479 630 HB3 GLU 93 3HB GLU 93 -3.429 -8.598 -21.560 631 HG2 GLU 93 2HG GLU 93 -3.694 -8.429 -24.509 632 HG3 GLU 93 3HG GLU 93 -2.691 -9.711 -23.834 633 H MET 94 H MET 94 -5.429 -7.513 -20.822 634 HA MET 94 HA MET 94 -4.788 -5.365 -18.928 635 HB2 MET 94 2HB MET 94 -7.187 -5.869 -19.783 636 HB3 MET 94 3HB MET 94 -7.130 -7.226 -18.667 637 HG2 MET 94 2HG MET 94 -6.982 -5.836 -16.797 638 HG3 MET 94 3HG MET 94 -6.525 -4.437 -17.766 639 HE1 MET 94 1HE MET 94 -9.902 -3.105 -16.533 640 HE2 MET 94 2HE MET 94 -8.464 -3.747 -15.739 641 HE3 MET 94 3HE MET 94 -8.299 -2.629 -17.094 642 H LYS 95 H LYS 95 -4.496 -5.835 -16.700 643 HA LYS 95 HA LYS 95 -2.854 -8.061 -16.181 644 HB2 LYS 95 2HB LYS 95 -2.883 -7.331 -13.863 645 HB3 LYS 95 3HB LYS 95 -2.724 -5.940 -14.928 646 HG2 LYS 95 2HG LYS 95 -5.272 -5.727 -14.697 647 HG3 LYS 95 3HG LYS 95 -5.090 -6.811 -13.315 648 HD2 LYS 95 2HD LYS 95 -3.530 -5.249 -12.281 649 HD3 LYS 95 3HD LYS 95 -3.660 -4.176 -13.676 650 HE2 LYS 95 2HE LYS 95 -6.132 -4.979 -12.209 651 HE3 LYS 95 3HE LYS 95 -5.081 -3.744 -11.517 652 HZ1 LYS 95 1HZ LYS 95 -5.256 -2.755 -13.909 653 HZ2 LYS 95 2HZ LYS 95 -6.479 -2.475 -12.775 654 HZ3 LYS 95 3HZ LYS 95 -6.687 -3.655 -13.969 655 H THR 96 H THR 96 -6.280 -7.483 -15.679 656 HA THR 96 HA THR 96 -6.853 -9.635 -13.983 657 HB THR 96 HB THR 96 -8.718 -8.593 -16.114 658 HG1 THR 96 HG1 THR 96 -9.013 -6.831 -14.929 659 HG21 THR 96 1HG2 THR 96 -9.010 -10.552 -14.135 660 HG22 THR 96 2HG2 THR 96 -10.288 -9.802 -15.091 661 HG23 THR 96 3HG2 THR 96 -9.854 -9.132 -13.520 662 H THR 97 H THR 97 -6.874 -9.436 -17.529 663 HA THR 97 HA THR 97 -7.799 -11.997 -18.090 664 HB THR 97 HB THR 97 -5.728 -10.504 -19.707 665 HG1 THR 97 HG1 THR 97 -7.693 -9.727 -20.807 666 HG21 THR 97 1HG2 THR 97 -7.466 -12.856 -20.178 667 HG22 THR 97 2HG2 THR 97 -5.873 -12.474 -20.832 668 HG23 THR 97 3HG2 THR 97 -7.310 -11.706 -21.505 669 H TYR 98 H TYR 98 -4.402 -10.910 -17.952 670 HA TYR 98 HA TYR 98 -3.198 -13.381 -18.314 671 HB2 TYR 98 2HB TYR 98 -2.383 -10.781 -17.176 672 HB3 TYR 98 3HB TYR 98 -1.426 -12.163 -16.656 673 HD1 TYR 98 HD1 TYR 98 -1.944 -9.755 -19.223 674 HD2 TYR 98 HD2 TYR 98 -0.471 -13.683 -18.510 675 HE1 TYR 98 HE1 TYR 98 -0.669 -9.652 -21.324 676 HE2 TYR 98 HE2 TYR 98 0.809 -13.590 -20.608 677 HH TYR 98 HH TYR 98 0.977 -10.644 -22.530 678 H LEU 99 H LEU 99 -4.073 -11.783 -15.259 679 HA LEU 99 HA LEU 99 -3.143 -13.678 -13.478 680 HB2 LEU 99 2HB LEU 99 -3.979 -11.557 -12.728 681 HB3 LEU 99 3HB LEU 99 -5.595 -11.935 -13.322 682 HG LEU 99 HG LEU 99 -4.937 -13.957 -11.478 683 HD11 LEU 99 1HD1 LEU 99 -4.121 -11.213 -10.566 684 HD12 LEU 99 2HD1 LEU 99 -3.206 -12.717 -10.477 685 HD13 LEU 99 3HD1 LEU 99 -4.614 -12.481 -9.443 686 HD21 LEU 99 1HD2 LEU 99 -6.839 -11.678 -11.665 687 HD22 LEU 99 2HD2 LEU 99 -6.687 -12.520 -10.123 688 HD23 LEU 99 3HD2 LEU 99 -7.154 -13.411 -11.573 689 H GLU 100 H GLU 100 -6.253 -13.579 -15.174 690 HA GLU 100 HA GLU 100 -7.356 -15.866 -13.935 691 HB2 GLU 100 2HB GLU 100 -8.747 -14.242 -15.108 692 HB3 GLU 100 3HB GLU 100 -7.957 -14.633 -16.629 693 HG2 GLU 100 2HG GLU 100 -8.971 -16.727 -16.758 694 HG3 GLU 100 3HG GLU 100 -9.400 -16.726 -15.048 695 H ARG 101 H ARG 101 -5.417 -15.415 -16.847 696 HA ARG 101 HA ARG 101 -5.649 -18.007 -17.890 697 HB2 ARG 101 2HB ARG 101 -4.346 -15.681 -18.621 698 HB3 ARG 101 3HB ARG 101 -3.023 -16.791 -18.290 699 HG2 ARG 101 2HG ARG 101 -3.305 -17.443 -20.404 700 HG3 ARG 101 3HG ARG 101 -4.687 -18.347 -19.782 701 HD2 ARG 101 2HD ARG 101 -5.767 -17.205 -21.413 702 HD3 ARG 101 3HD ARG 101 -5.863 -15.977 -20.151 703 HE ARG 101 HE ARG 101 -3.497 -15.513 -21.488 704 HH11 ARG 101 1HH1 ARG 101 -6.887 -15.605 -22.275 705 HH12 ARG 101 2HH1 ARG 101 -6.757 -14.437 -23.548 706 HH21 ARG 101 1HH2 ARG 101 -3.312 -13.975 -23.163 707 HH22 ARG 101 2HH2 ARG 101 -4.723 -13.511 -24.053 708 H LYS 102 H LYS 102 -3.002 -16.621 -15.938 709 HA LYS 102 HA LYS 102 -1.582 -19.004 -15.586 710 HB2 LYS 102 2HB LYS 102 -0.526 -17.859 -13.655 711 HB3 LYS 102 3HB LYS 102 -0.562 -16.867 -15.107 712 HG2 LYS 102 2HG LYS 102 -2.555 -15.705 -14.210 713 HG3 LYS 102 3HG LYS 102 -2.386 -16.640 -12.722 714 HD2 LYS 102 2HD LYS 102 -0.240 -14.848 -13.855 715 HD3 LYS 102 3HD LYS 102 -1.392 -14.353 -12.613 716 HE2 LYS 102 2HE LYS 102 0.498 -16.689 -12.359 717 HE3 LYS 102 3HE LYS 102 0.815 -15.077 -11.718 718 HZ1 LYS 102 1HZ LYS 102 -0.231 -15.748 -9.896 719 HZ2 LYS 102 2HZ LYS 102 -0.787 -17.166 -10.630 720 HZ3 LYS 102 3HZ LYS 102 -1.674 -15.734 -10.779 721 H ALA 103 H ALA 103 -4.179 -17.558 -13.676 722 HA ALA 103 HA ALA 103 -4.111 -19.279 -11.480 723 HB1 ALA 103 1HB ALA 103 -6.634 -18.123 -12.639 724 HB2 ALA 103 2HB ALA 103 -6.280 -18.503 -10.953 725 HB3 ALA 103 3HB ALA 103 -5.460 -17.157 -11.744 726 H GLU 104 H GLU 104 -5.871 -19.571 -14.551 727 HA GLU 104 HA GLU 104 -7.162 -22.007 -13.893 728 HB2 GLU 104 2HB GLU 104 -7.809 -20.362 -15.723 729 HB3 GLU 104 3HB GLU 104 -6.507 -21.057 -16.678 730 HG2 GLU 104 2HG GLU 104 -7.564 -23.194 -16.701 731 HG3 GLU 104 3HG GLU 104 -8.779 -22.663 -15.540 732 H GLU 105 H GLU 105 -4.127 -21.227 -15.509 733 HA GLU 105 HA GLU 105 -3.489 -23.791 -16.441 734 HB2 GLU 105 2HB GLU 105 -2.305 -21.745 -17.138 735 HB3 GLU 105 3HB GLU 105 -1.608 -21.606 -15.531 736 HG2 GLU 105 2HG GLU 105 -0.458 -23.745 -15.856 737 HG3 GLU 105 3HG GLU 105 -1.134 -23.850 -17.480 738 H ILE 106 H ILE 106 -2.169 -22.162 -13.551 739 HA ILE 106 HA ILE 106 -0.901 -24.384 -12.462 740 HB ILE 106 HB ILE 106 -0.497 -22.115 -11.650 741 HG12 ILE 106 2HG1 ILE 106 -1.389 -23.105 -9.102 742 HG13 ILE 106 3HG1 ILE 106 -0.785 -24.444 -10.072 743 HG21 ILE 106 1HG2 ILE 106 -2.037 -20.812 -10.518 744 HG22 ILE 106 2HG2 ILE 106 -3.033 -21.586 -11.749 745 HG23 ILE 106 3HG2 ILE 106 -3.048 -22.193 -10.094 746 HD11 ILE 106 1HD1 ILE 106 0.743 -21.904 -9.571 747 HD12 ILE 106 2HD1 ILE 106 0.919 -23.380 -8.621 748 HD13 ILE 106 3HD1 ILE 106 1.335 -23.380 -10.335 749 H ALA 107 H ALA 107 -4.245 -23.346 -12.238 750 HA ALA 107 HA ALA 107 -5.070 -25.006 -10.129 751 HB1 ALA 107 1HB ALA 107 -6.463 -23.628 -12.375 752 HB2 ALA 107 2HB ALA 107 -7.347 -24.809 -11.408 753 HB3 ALA 107 3HB ALA 107 -6.627 -23.397 -10.634 754 H ALA 108 H ALA 108 -4.827 -25.579 -13.605 755 HA ALA 108 HA ALA 108 -6.114 -28.088 -13.644 756 HB1 ALA 108 1HB ALA 108 -5.457 -28.248 -15.848 757 HB2 ALA 108 2HB ALA 108 -5.427 -26.503 -15.591 758 HB3 ALA 108 3HB ALA 108 -3.924 -27.424 -15.562 759 H LYS 109 H LYS 109 -2.684 -27.199 -13.389 760 HA LYS 109 HA LYS 109 -1.714 -29.857 -13.280 761 HB2 LYS 109 2HB LYS 109 -0.459 -27.311 -12.236 762 HB3 LYS 109 3HB LYS 109 0.379 -28.839 -12.469 763 HG2 LYS 109 2HG LYS 109 -0.402 -28.622 -14.923 764 HG3 LYS 109 3HG LYS 109 -0.658 -26.924 -14.516 765 HD2 LYS 109 2HD LYS 109 1.877 -27.639 -13.503 766 HD3 LYS 109 3HD LYS 109 1.781 -28.279 -15.146 767 HE2 LYS 109 2HE LYS 109 0.970 -25.461 -14.510 768 HE3 LYS 109 3HE LYS 109 2.653 -25.883 -14.820 769 HZ1 LYS 109 1HZ LYS 109 1.620 -26.995 -16.924 770 HZ2 LYS 109 2HZ LYS 109 1.948 -25.336 -16.906 771 HZ3 LYS 109 3HZ LYS 109 0.368 -25.888 -16.658 772 H LYS 110 H LYS 110 -2.223 -27.435 -10.715 773 HA LYS 110 HA LYS 110 -1.723 -29.358 -8.634 774 HB2 LYS 110 2HB LYS 110 -2.765 -26.522 -8.553 775 HB3 LYS 110 3HB LYS 110 -2.426 -27.488 -7.123 776 HG2 LYS 110 2HG LYS 110 -0.294 -27.074 -9.168 777 HG3 LYS 110 3HG LYS 110 -0.662 -25.800 -8.003 778 HD2 LYS 110 2HD LYS 110 -0.507 -27.881 -6.328 779 HD3 LYS 110 3HD LYS 110 0.582 -28.456 -7.593 780 HE2 LYS 110 2HE LYS 110 1.108 -25.693 -7.006 781 HE3 LYS 110 3HE LYS 110 1.151 -26.646 -5.524 782 HZ1 LYS 110 1HZ LYS 110 2.649 -27.344 -7.989 783 HZ2 LYS 110 2HZ LYS 110 2.779 -28.086 -6.475 784 HZ3 LYS 110 3HZ LYS 110 3.314 -26.495 -6.686 Start of MODEL 14 1 H1 THR 12 H THR 12 0.532 1.442 0.505 2 HA THR 12 HA THR 12 1.693 2.363 -1.751 3 HB THR 12 HB THR 12 2.278 -0.243 -2.109 4 HG1 THR 12 HG1 THR 12 0.801 -0.965 -0.532 5 HG21 THR 12 1HG2 THR 12 3.321 1.443 0.170 6 HG22 THR 12 2HG2 THR 12 3.847 1.560 -1.510 7 HG23 THR 12 3HG2 THR 12 4.151 0.086 -0.591 8 H ASP 13 H ASP 13 1.366 2.334 -3.894 9 HA ASP 13 HA ASP 13 -0.773 0.600 -4.942 10 HB2 ASP 13 2HB ASP 13 -1.528 2.356 -6.391 11 HB3 ASP 13 3HB ASP 13 -1.439 3.017 -4.760 12 H HIS 14 H HIS 14 -0.322 -0.532 -6.746 13 HA HIS 14 HA HIS 14 2.118 0.135 -8.241 14 HB2 HIS 14 2HB HIS 14 2.512 -2.372 -8.433 15 HB3 HIS 14 3HB HIS 14 2.841 -1.651 -6.860 16 HD1 HIS 14 HD1 HIS 14 1.622 -2.608 -4.894 17 HD2 HIS 14 HD2 HIS 14 0.017 -3.852 -8.518 18 HE1 HIS 14 HE1 HIS 14 -0.077 -4.367 -4.308 19 H GLN 15 H GLN 15 1.877 0.114 -10.391 20 HA GLN 15 HA GLN 15 -0.438 -1.296 -11.529 21 HB2 GLN 15 2HB GLN 15 -0.625 0.653 -13.150 22 HB3 GLN 15 3HB GLN 15 -1.161 0.953 -11.502 23 HG2 GLN 15 2HG GLN 15 1.636 1.624 -12.287 24 HG3 GLN 15 3HG GLN 15 0.314 2.696 -12.745 25 HE21 GLN 15 1HE2 GLN 15 -1.111 3.409 -10.971 26 HE22 GLN 15 2HE2 GLN 15 -0.398 3.720 -9.428 27 H THR 16 H THR 16 -0.029 -2.456 -13.317 28 HA THR 16 HA THR 16 2.344 -1.894 -14.916 29 HB THR 16 HB THR 16 1.938 -4.734 -14.054 30 HG1 THR 16 HG1 THR 16 2.991 -4.409 -12.197 31 HG21 THR 16 1HG2 THR 16 4.014 -3.108 -15.389 32 HG22 THR 16 2HG2 THR 16 3.559 -4.794 -15.638 33 HG23 THR 16 3HG2 THR 16 4.593 -4.350 -14.280 34 H VAL 17 H VAL 17 1.834 -2.023 -16.996 35 HA VAL 17 HA VAL 17 -0.519 -3.615 -17.768 36 HB VAL 17 HB VAL 17 0.734 -1.331 -19.296 37 HG11 VAL 17 1HG1 VAL 17 -0.434 -2.354 -20.937 38 HG12 VAL 17 2HG1 VAL 17 -1.488 -3.205 -19.806 39 HG13 VAL 17 3HG1 VAL 17 -1.793 -1.511 -20.194 40 HG21 VAL 17 1HG2 VAL 17 -0.131 -0.268 -17.426 41 HG22 VAL 17 2HG2 VAL 17 -1.479 -0.200 -18.562 42 HG23 VAL 17 3HG2 VAL 17 -1.471 -1.404 -17.273 43 H TYR 18 H TYR 18 -0.443 -4.936 -19.596 44 HA TYR 18 HA TYR 18 2.279 -5.642 -20.471 45 HB2 TYR 18 2HB TYR 18 -0.161 -7.417 -20.595 46 HB3 TYR 18 3HB TYR 18 1.522 -7.886 -20.812 47 HD1 TYR 18 HD1 TYR 18 2.929 -8.347 -18.936 48 HD2 TYR 18 HD2 TYR 18 -1.006 -6.843 -18.339 49 HE1 TYR 18 HE1 TYR 18 3.092 -8.886 -16.542 50 HE2 TYR 18 HE2 TYR 18 -0.854 -7.378 -15.943 51 HH TYR 18 HH TYR 18 1.231 -7.652 -14.248 52 H VAL 19 H VAL 19 2.800 -5.396 -22.544 53 HA VAL 19 HA VAL 19 0.635 -5.126 -24.522 54 HB VAL 19 HB VAL 19 3.171 -3.488 -24.540 55 HG11 VAL 19 1HG1 VAL 19 0.823 -3.753 -26.344 56 HG12 VAL 19 2HG1 VAL 19 1.556 -2.159 -26.153 57 HG13 VAL 19 3HG1 VAL 19 2.526 -3.514 -26.732 58 HG21 VAL 19 1HG2 VAL 19 1.101 -1.727 -24.199 59 HG22 VAL 19 2HG2 VAL 19 0.627 -3.074 -23.164 60 HG23 VAL 19 3HG2 VAL 19 2.187 -2.286 -22.927 61 H LYS 20 H LYS 20 1.082 -5.867 -26.608 62 HA LYS 20 HA LYS 20 2.593 -8.159 -26.868 63 HB2 LYS 20 2HB LYS 20 2.470 -7.655 -29.378 64 HB3 LYS 20 3HB LYS 20 0.950 -7.800 -28.506 65 HG2 LYS 20 2HG LYS 20 0.393 -5.654 -28.857 66 HG3 LYS 20 3HG LYS 20 2.049 -5.080 -28.651 67 HD2 LYS 20 2HD LYS 20 1.691 -6.696 -31.050 68 HD3 LYS 20 3HD LYS 20 0.679 -5.250 -31.035 69 HE2 LYS 20 2HE LYS 20 2.505 -3.821 -30.945 70 HE3 LYS 20 3HE LYS 20 3.578 -5.071 -30.317 71 HZ1 LYS 20 1HZ LYS 20 4.053 -5.812 -32.366 72 HZ2 LYS 20 2HZ LYS 20 3.544 -4.278 -32.863 73 HZ3 LYS 20 3HZ LYS 20 2.479 -5.590 -32.947 74 HA PRO 21 HA PRO 21 6.793 -7.000 -27.398 75 HB2 PRO 21 2HB PRO 21 7.639 -8.816 -29.230 76 HB3 PRO 21 3HB PRO 21 7.278 -9.240 -27.553 77 HG2 PRO 21 2HG PRO 21 5.584 -9.573 -29.998 78 HG3 PRO 21 3HG PRO 21 5.849 -10.704 -28.658 79 HD2 PRO 21 2HD PRO 21 3.629 -9.165 -28.847 80 HD3 PRO 21 3HD PRO 21 4.337 -9.632 -27.288 81 H VAL 22 H VAL 22 8.398 -6.228 -28.950 82 HA VAL 22 HA VAL 22 7.118 -4.969 -31.283 83 HB VAL 22 HB VAL 22 9.117 -3.396 -31.176 84 HG11 VAL 22 1HG1 VAL 22 6.656 -3.405 -29.806 85 HG12 VAL 22 2HG1 VAL 22 7.857 -2.746 -28.692 86 HG13 VAL 22 3HG1 VAL 22 7.629 -2.013 -30.281 87 HG21 VAL 22 1HG2 VAL 22 10.518 -3.346 -29.354 88 HG22 VAL 22 2HG2 VAL 22 9.368 -4.177 -28.307 89 HG23 VAL 22 3HG2 VAL 22 10.263 -5.083 -29.527 90 HA PRO 23 HA PRO 23 9.701 -7.142 -34.091 91 HB2 PRO 23 2HB PRO 23 10.091 -5.269 -36.017 92 HB3 PRO 23 3HB PRO 23 8.547 -6.095 -35.780 93 HG2 PRO 23 2HG PRO 23 9.402 -3.378 -34.859 94 HG3 PRO 23 3HG PRO 23 7.859 -3.884 -35.572 95 HD2 PRO 23 2HD PRO 23 8.184 -3.522 -32.908 96 HD3 PRO 23 3HD PRO 23 7.072 -4.733 -33.579 97 HA PRO 24 HA PRO 24 13.970 -6.261 -33.514 98 HB2 PRO 24 2HB PRO 24 15.060 -6.989 -35.891 99 HB3 PRO 24 3HB PRO 24 14.436 -8.159 -34.722 100 HG2 PRO 24 2HG PRO 24 13.136 -7.067 -37.188 101 HG3 PRO 24 3HG PRO 24 13.172 -8.735 -36.587 102 HD2 PRO 24 2HD PRO 24 11.034 -7.109 -36.245 103 HD3 PRO 24 3HD PRO 24 11.483 -8.356 -35.064 104 H THR 25 H THR 25 12.269 -4.695 -36.078 105 HA THR 25 HA THR 25 14.440 -2.933 -36.803 106 HB THR 25 HB THR 25 11.511 -2.802 -37.548 107 HG1 THR 25 HG1 THR 25 12.047 -4.353 -38.873 108 HG21 THR 25 1HG2 THR 25 12.527 -1.440 -39.487 109 HG22 THR 25 2HG2 THR 25 13.920 -1.239 -38.425 110 HG23 THR 25 3HG2 THR 25 12.336 -0.647 -37.924 111 H ALA 26 H ALA 26 11.481 -2.762 -34.885 112 HA ALA 26 HA ALA 26 11.504 0.001 -34.380 113 HB1 ALA 26 1HB ALA 26 10.181 -0.707 -32.291 114 HB2 ALA 26 2HB ALA 26 9.503 -1.080 -33.877 115 HB3 ALA 26 3HB ALA 26 10.308 -2.341 -32.943 116 H THR 27 H THR 27 13.180 1.057 -33.537 117 HA THR 27 HA THR 27 14.931 -0.214 -31.605 118 HB THR 27 HB THR 27 16.082 2.096 -31.698 119 HG1 THR 27 HG1 THR 27 15.549 3.254 -33.634 120 HG21 THR 27 1HG2 THR 27 17.289 1.494 -33.684 121 HG22 THR 27 2HG2 THR 27 15.943 0.514 -34.264 122 HG23 THR 27 3HG2 THR 27 16.852 0.009 -32.840 123 H LEU 28 H LEU 28 15.666 1.251 -29.724 124 HA LEU 28 HA LEU 28 13.450 1.632 -28.009 125 HB2 LEU 28 2HB LEU 28 16.033 1.183 -27.574 126 HB3 LEU 28 3HB LEU 28 16.045 2.936 -27.395 127 HG LEU 28 HG LEU 28 14.116 1.255 -25.834 128 HD11 LEU 28 1HD1 LEU 28 16.012 1.613 -24.018 129 HD12 LEU 28 2HD1 LEU 28 17.045 1.518 -25.444 130 HD13 LEU 28 3HD1 LEU 28 15.962 0.183 -25.049 131 HD21 LEU 28 1HD2 LEU 28 15.382 3.965 -25.485 132 HD22 LEU 28 2HD2 LEU 28 14.442 3.158 -24.229 133 HD23 LEU 28 3HD2 LEU 28 13.680 3.591 -25.761 134 H GLU 29 H GLU 29 15.613 3.920 -29.654 135 HA GLU 29 HA GLU 29 14.473 6.270 -28.624 136 HB2 GLU 29 2HB GLU 29 16.658 5.864 -30.022 137 HB3 GLU 29 3HB GLU 29 15.605 6.182 -31.394 138 HG2 GLU 29 2HG GLU 29 15.654 8.367 -31.036 139 HG3 GLU 29 3HG GLU 29 15.263 8.168 -29.328 140 H GLN 30 H GLN 30 13.685 4.332 -31.466 141 HA GLN 30 HA GLN 30 11.790 6.125 -32.563 142 HB2 GLN 30 2HB GLN 30 12.963 4.076 -33.642 143 HB3 GLN 30 3HB GLN 30 11.647 3.149 -32.934 144 HG2 GLN 30 2HG GLN 30 10.303 3.703 -34.595 145 HG3 GLN 30 3HG GLN 30 10.575 5.418 -34.295 146 HE21 GLN 30 1HE2 GLN 30 10.992 6.331 -36.176 147 HE22 GLN 30 2HE2 GLN 30 12.115 5.755 -37.356 148 H LEU 31 H LEU 31 11.415 3.217 -30.548 149 HA LEU 31 HA LEU 31 8.643 3.206 -30.367 150 HB2 LEU 31 2HB LEU 31 10.776 1.813 -29.209 151 HB3 LEU 31 3HB LEU 31 9.840 2.452 -27.859 152 HG LEU 31 HG LEU 31 8.855 0.624 -30.046 153 HD11 LEU 31 1HD1 LEU 31 9.526 0.276 -27.150 154 HD12 LEU 31 2HD1 LEU 31 10.009 -0.704 -28.534 155 HD13 LEU 31 3HD1 LEU 31 8.350 -0.774 -27.940 156 HD21 LEU 31 1HD2 LEU 31 6.972 1.881 -29.657 157 HD22 LEU 31 2HD2 LEU 31 7.416 2.231 -27.986 158 HD23 LEU 31 3HD2 LEU 31 6.804 0.634 -28.420 159 H THR 32 H THR 32 10.998 4.744 -28.186 160 HA THR 32 HA THR 32 9.132 5.877 -26.425 161 HB THR 32 HB THR 32 11.853 7.001 -27.116 162 HG1 THR 32 HG1 THR 32 12.628 5.301 -26.140 163 HG21 THR 32 1HG2 THR 32 10.953 8.613 -25.761 164 HG22 THR 32 2HG2 THR 32 11.584 7.519 -24.531 165 HG23 THR 32 3HG2 THR 32 9.871 7.483 -24.950 166 H GLU 33 H GLU 33 10.644 7.165 -29.362 167 HA GLU 33 HA GLU 33 9.696 9.770 -29.253 168 HB2 GLU 33 2HB GLU 33 11.336 8.905 -30.909 169 HB3 GLU 33 3HB GLU 33 10.023 8.081 -31.738 170 HG2 GLU 33 2HG GLU 33 10.030 9.935 -33.002 171 HG3 GLU 33 3HG GLU 33 9.030 10.569 -31.696 172 H PHE 34 H PHE 34 8.201 6.998 -30.926 173 HA PHE 34 HA PHE 34 5.867 8.326 -31.716 174 HB2 PHE 34 2HB PHE 34 6.630 5.459 -31.353 175 HB3 PHE 34 3HB PHE 34 4.935 5.857 -31.615 176 HD1 PHE 34 HD1 PHE 34 8.098 7.212 -33.055 177 HD2 PHE 34 HD2 PHE 34 4.354 5.318 -33.769 178 HE1 PHE 34 HE1 PHE 34 8.506 7.326 -35.478 179 HE2 PHE 34 HE2 PHE 34 4.756 5.428 -36.193 180 HZ PHE 34 HZ PHE 34 6.835 6.432 -37.051 181 H PHE 35 H PHE 35 6.621 6.507 -28.782 182 HA PHE 35 HA PHE 35 4.104 6.392 -27.631 183 HB2 PHE 35 2HB PHE 35 6.860 6.150 -26.719 184 HB3 PHE 35 3HB PHE 35 5.808 6.832 -25.483 185 HD1 PHE 35 HD1 PHE 35 4.586 5.418 -24.134 186 HD2 PHE 35 HD2 PHE 35 5.979 4.004 -27.900 187 HE1 PHE 35 HE1 PHE 35 3.767 3.163 -23.587 188 HE2 PHE 35 HE2 PHE 35 5.161 1.748 -27.359 189 HZ PHE 35 HZ PHE 35 4.053 1.325 -25.201 190 H SER 36 H SER 36 6.585 8.907 -27.161 191 HA SER 36 HA SER 36 5.086 10.583 -25.513 192 HB2 SER 36 2HB SER 36 7.526 10.814 -25.904 193 HB3 SER 36 3HB SER 36 7.189 11.413 -27.528 194 HG SER 36 HG SER 36 6.322 12.612 -25.103 195 H LYS 37 H LYS 37 5.219 10.339 -29.021 196 HA LYS 37 HA LYS 37 3.839 12.660 -29.705 197 HB2 LYS 37 2HB LYS 37 4.982 10.751 -31.151 198 HB3 LYS 37 3HB LYS 37 3.329 10.157 -31.249 199 HG2 LYS 37 2HG LYS 37 2.954 12.760 -31.862 200 HG3 LYS 37 3HG LYS 37 4.577 12.499 -32.507 201 HD2 LYS 37 2HD LYS 37 2.514 10.449 -33.102 202 HD3 LYS 37 3HD LYS 37 2.383 12.003 -33.928 203 HE2 LYS 37 2HE LYS 37 4.904 10.357 -33.869 204 HE3 LYS 37 3HE LYS 37 3.695 10.235 -35.146 205 HZ1 LYS 37 1HZ LYS 37 5.780 12.070 -34.931 206 HZ2 LYS 37 2HZ LYS 37 4.340 12.940 -34.754 207 HZ3 LYS 37 3HZ LYS 37 4.589 11.987 -36.129 208 H HIS 38 H HIS 38 2.648 9.525 -28.646 209 HA HIS 38 HA HIS 38 0.038 10.721 -28.149 210 HB2 HIS 38 2HB HIS 38 0.072 9.595 -30.453 211 HB3 HIS 38 3HB HIS 38 0.197 8.072 -29.577 212 HD1 HIS 38 HD1 HIS 38 -2.258 9.256 -31.372 213 HD2 HIS 38 HD2 HIS 38 -2.065 8.844 -27.242 214 HE1 HIS 38 HE1 HIS 38 -4.647 9.153 -30.594 215 H GLY 39 H GLY 39 -0.282 10.365 -26.055 216 HA2 GLY 39 2HA GLY 39 -0.892 8.890 -24.290 217 HA3 GLY 39 3HA GLY 39 0.104 7.643 -25.027 218 H THR 40 H THR 40 -0.046 9.047 -22.290 219 HA THR 40 HA THR 40 2.794 9.804 -22.108 220 HB THR 40 HB THR 40 0.863 10.377 -19.898 221 HG1 THR 40 HG1 THR 40 -0.030 11.119 -21.983 222 HG21 THR 40 1HG2 THR 40 3.295 10.805 -19.657 223 HG22 THR 40 2HG2 THR 40 2.322 12.269 -19.519 224 HG23 THR 40 3HG2 THR 40 3.201 11.931 -21.010 225 H VAL 41 H VAL 41 4.047 8.227 -21.371 226 HA VAL 41 HA VAL 41 2.967 6.420 -19.306 227 HB VAL 41 HB VAL 41 4.548 4.710 -20.115 228 HG11 VAL 41 1HG1 VAL 41 2.825 3.977 -21.305 229 HG12 VAL 41 2HG1 VAL 41 2.184 5.618 -21.398 230 HG13 VAL 41 3HG1 VAL 41 3.291 5.032 -22.639 231 HG21 VAL 41 1HG2 VAL 41 5.817 4.973 -22.102 232 HG22 VAL 41 2HG2 VAL 41 5.039 6.509 -22.479 233 HG23 VAL 41 3HG2 VAL 41 6.143 6.394 -21.109 234 H GLN 42 H GLN 42 4.331 5.807 -17.605 235 HA GLN 42 HA GLN 42 6.222 7.809 -16.819 236 HB2 GLN 42 2HB GLN 42 4.596 6.213 -15.413 237 HB3 GLN 42 3HB GLN 42 6.059 5.239 -15.338 238 HG2 GLN 42 2HG GLN 42 6.891 7.826 -14.741 239 HG3 GLN 42 3HG GLN 42 5.360 7.627 -13.889 240 HE21 GLN 42 1HE2 GLN 42 5.152 5.837 -12.433 241 HE22 GLN 42 2HE2 GLN 42 6.550 5.190 -11.652 242 H ALA 43 H ALA 43 6.512 4.290 -17.334 243 HA ALA 43 HA ALA 43 9.092 4.637 -18.582 244 HB1 ALA 43 1HB ALA 43 9.392 4.590 -16.008 245 HB2 ALA 43 2HB ALA 43 9.085 2.861 -16.176 246 HB3 ALA 43 3HB ALA 43 10.446 3.601 -17.018 247 H VAL 44 H VAL 44 10.037 2.451 -19.185 248 HA VAL 44 HA VAL 44 8.081 0.307 -19.396 249 HB VAL 44 HB VAL 44 7.599 1.641 -21.378 250 HG11 VAL 44 1HG1 VAL 44 10.102 1.160 -22.775 251 HG12 VAL 44 2HG1 VAL 44 9.148 2.638 -22.638 252 HG13 VAL 44 3HG1 VAL 44 10.299 2.209 -21.372 253 HG21 VAL 44 1HG2 VAL 44 7.593 -0.886 -21.421 254 HG22 VAL 44 2HG2 VAL 44 7.713 -0.090 -22.990 255 HG23 VAL 44 3HG2 VAL 44 9.150 -0.789 -22.244 256 H TRP 45 H TRP 45 8.985 -1.713 -19.749 257 HA TRP 45 HA TRP 45 11.716 -2.078 -20.488 258 HB2 TRP 45 2HB TRP 45 11.688 -1.276 -17.998 259 HB3 TRP 45 3HB TRP 45 11.160 -2.923 -17.664 260 HD1 TRP 45 HD1 TRP 45 13.045 -4.609 -17.278 261 HE1 TRP 45 HE1 TRP 45 15.568 -4.702 -17.780 262 HE3 TRP 45 HE3 TRP 45 13.499 -0.277 -19.954 263 HZ2 TRP 45 HZ2 TRP 45 17.495 -3.144 -19.131 264 HZ3 TRP 45 HZ3 TRP 45 15.717 0.350 -20.816 265 HH2 TRP 45 HH2 TRP 45 17.672 -1.055 -20.411 266 H ARG 46 H ARG 46 12.378 -4.428 -20.177 267 HA ARG 46 HA ARG 46 10.240 -6.332 -19.853 268 HB2 ARG 46 2HB ARG 46 10.451 -7.283 -22.123 269 HB3 ARG 46 3HB ARG 46 9.809 -5.646 -22.139 270 HG2 ARG 46 2HG ARG 46 12.738 -6.030 -22.479 271 HG3 ARG 46 3HG ARG 46 11.665 -6.399 -23.831 272 HD2 ARG 46 2HD ARG 46 10.859 -3.917 -22.708 273 HD3 ARG 46 3HD ARG 46 12.605 -3.868 -22.948 274 HE ARG 46 HE ARG 46 10.590 -3.841 -24.974 275 HH11 ARG 46 1HH1 ARG 46 13.858 -4.808 -24.262 276 HH12 ARG 46 2HH1 ARG 46 14.375 -4.745 -25.914 277 HH21 ARG 46 1HH2 ARG 46 11.259 -3.754 -27.153 278 HH22 ARG 46 2HH2 ARG 46 12.896 -4.144 -27.558 279 H ARG 47 H ARG 47 10.976 -8.410 -19.501 280 HA ARG 47 HA ARG 47 13.800 -9.001 -19.899 281 HB2 ARG 47 2HB ARG 47 14.055 -9.764 -17.546 282 HB3 ARG 47 3HB ARG 47 13.822 -8.027 -17.693 283 HG2 ARG 47 2HG ARG 47 11.326 -9.483 -17.345 284 HG3 ARG 47 3HG ARG 47 12.455 -9.701 -16.007 285 HD2 ARG 47 2HD ARG 47 12.201 -6.940 -16.976 286 HD3 ARG 47 3HD ARG 47 10.736 -7.612 -16.261 287 HE ARG 47 HE ARG 47 12.893 -8.169 -14.565 288 HH11 ARG 47 1HH1 ARG 47 11.041 -5.453 -15.711 289 HH12 ARG 47 2HH1 ARG 47 11.295 -4.509 -14.281 290 HH21 ARG 47 1HH2 ARG 47 13.235 -6.936 -12.676 291 HH22 ARG 47 2HH2 ARG 47 12.544 -5.353 -12.556 292 H TYR 48 H TYR 48 14.306 -11.279 -19.566 293 HA TYR 48 HA TYR 48 12.043 -13.102 -19.397 294 HB2 TYR 48 2HB TYR 48 12.717 -14.267 -21.493 295 HB3 TYR 48 3HB TYR 48 12.105 -12.640 -21.769 296 HD1 TYR 48 HD1 TYR 48 14.907 -14.879 -22.148 297 HD2 TYR 48 HD2 TYR 48 13.734 -10.790 -22.246 298 HE1 TYR 48 HE1 TYR 48 16.958 -14.326 -23.388 299 HE2 TYR 48 HE2 TYR 48 15.782 -10.227 -23.487 300 HH TYR 48 HH TYR 48 18.138 -12.733 -24.379 301 H PHE 49 H PHE 49 12.584 -14.773 -18.169 302 HA PHE 49 HA PHE 49 15.333 -15.184 -17.404 303 HB2 PHE 49 2HB PHE 49 12.681 -16.181 -16.501 304 HB3 PHE 49 3HB PHE 49 14.075 -17.206 -16.177 305 HD1 PHE 49 HD1 PHE 49 14.491 -17.041 -13.912 306 HD2 PHE 49 HD2 PHE 49 13.747 -13.500 -16.154 307 HE1 PHE 49 HE1 PHE 49 15.031 -15.680 -11.935 308 HE2 PHE 49 HE2 PHE 49 14.287 -12.133 -14.180 309 HZ PHE 49 HZ PHE 49 14.930 -13.223 -12.067 310 H ALA 50 H ALA 50 16.709 -16.535 -18.337 311 HA ALA 50 HA ALA 50 15.856 -18.262 -20.472 312 HB1 ALA 50 1HB ALA 50 17.899 -17.316 -20.947 313 HB2 ALA 50 2HB ALA 50 18.488 -17.494 -19.294 314 HB3 ALA 50 3HB ALA 50 18.383 -18.903 -20.349 315 H GLY 51 H GLY 51 16.921 -18.652 -17.141 316 HA2 GLY 51 2HA GLY 51 16.422 -20.446 -15.733 317 HA3 GLY 51 3HA GLY 51 15.849 -21.350 -17.127 318 H LYS 52 H LYS 52 18.264 -21.110 -14.856 319 HA LYS 52 HA LYS 52 19.956 -22.944 -16.396 320 HB2 LYS 52 2HB LYS 52 20.771 -20.437 -16.238 321 HB3 LYS 52 3HB LYS 52 21.282 -20.931 -14.629 322 HG2 LYS 52 2HG LYS 52 23.163 -21.235 -15.978 323 HG3 LYS 52 3HG LYS 52 22.490 -22.854 -15.777 324 HD2 LYS 52 2HD LYS 52 21.644 -22.900 -17.955 325 HD3 LYS 52 3HD LYS 52 21.747 -21.146 -18.129 326 HE2 LYS 52 2HE LYS 52 24.344 -22.234 -17.576 327 HE3 LYS 52 3HE LYS 52 23.621 -23.078 -18.944 328 HZ1 LYS 52 1HZ LYS 52 24.820 -21.202 -19.755 329 HZ2 LYS 52 2HZ LYS 52 24.044 -20.153 -18.678 330 HZ3 LYS 52 3HZ LYS 52 23.170 -20.871 -19.936 331 H LYS 53 H LYS 53 18.213 -23.938 -14.668 332 HA LYS 53 HA LYS 53 19.918 -24.949 -12.540 333 HB2 LYS 53 2HB LYS 53 18.214 -24.585 -10.803 334 HB3 LYS 53 3HB LYS 53 18.803 -23.066 -11.467 335 HG2 LYS 53 2HG LYS 53 16.520 -23.928 -12.956 336 HG3 LYS 53 3HG LYS 53 16.144 -23.941 -11.231 337 HD2 LYS 53 2HD LYS 53 16.386 -21.682 -11.023 338 HD3 LYS 53 3HD LYS 53 17.600 -21.585 -12.300 339 HE2 LYS 53 2HE LYS 53 16.039 -20.961 -13.750 340 HE3 LYS 53 3HE LYS 53 15.154 -22.457 -13.457 341 HZ1 LYS 53 1HZ LYS 53 14.194 -21.301 -11.459 342 HZ2 LYS 53 2HZ LYS 53 13.684 -20.710 -12.959 343 HZ3 LYS 53 3HZ LYS 53 14.843 -19.861 -12.066 344 H ASP 54 H ASP 54 18.489 -26.631 -11.217 345 HA ASP 54 HA ASP 54 17.277 -28.365 -13.251 346 HB2 ASP 54 2HB ASP 54 18.158 -29.157 -10.473 347 HB3 ASP 54 3HB ASP 54 17.799 -30.219 -11.832 348 H ALA 55 H ALA 55 15.909 -26.115 -11.892 349 HA ALA 55 HA ALA 55 13.802 -27.621 -10.487 350 HB1 ALA 55 1HB ALA 55 13.674 -26.001 -8.963 351 HB2 ALA 55 2HB ALA 55 15.191 -25.394 -9.629 352 HB3 ALA 55 3HB ALA 55 13.655 -24.738 -10.194 353 HA PRO 56 HA PRO 56 10.842 -26.646 -13.576 354 HB2 PRO 56 2HB PRO 56 8.618 -26.122 -12.110 355 HB3 PRO 56 3HB PRO 56 9.284 -27.748 -12.297 356 HG2 PRO 56 2HG PRO 56 9.595 -25.824 -10.025 357 HG3 PRO 56 3HG PRO 56 9.293 -27.571 -9.978 358 HD2 PRO 56 2HD PRO 56 11.751 -26.506 -9.582 359 HD3 PRO 56 3HD PRO 56 11.508 -28.090 -10.345 360 HA PRO 57 HA PRO 57 10.403 -22.328 -14.280 361 HB2 PRO 57 2HB PRO 57 7.991 -22.162 -15.515 362 HB3 PRO 57 3HB PRO 57 9.424 -22.843 -16.294 363 HG2 PRO 57 2HG PRO 57 7.138 -24.252 -14.971 364 HG3 PRO 57 3HG PRO 57 7.962 -24.640 -16.492 365 HD2 PRO 57 2HD PRO 57 8.482 -25.947 -14.178 366 HD3 PRO 57 3HD PRO 57 9.721 -25.675 -15.420 367 H GLU 58 H GLU 58 10.226 -21.193 -12.406 368 HA GLU 58 HA GLU 58 7.660 -21.164 -10.999 369 HB2 GLU 58 2HB GLU 58 10.047 -21.426 -9.917 370 HB3 GLU 58 3HB GLU 58 10.067 -19.672 -10.041 371 HG2 GLU 58 2HG GLU 58 9.308 -20.285 -7.861 372 HG3 GLU 58 3HG GLU 58 7.956 -19.597 -8.758 373 H SER 59 H SER 59 9.988 -18.971 -12.518 374 HA SER 59 HA SER 59 8.218 -16.699 -12.156 375 HB2 SER 59 2HB SER 59 10.736 -16.668 -13.802 376 HB3 SER 59 3HB SER 59 9.995 -15.353 -12.890 377 HG SER 59 HG SER 59 10.512 -16.652 -10.977 378 H ARG 60 H ARG 60 7.843 -15.261 -14.107 379 HA ARG 60 HA ARG 60 6.903 -16.946 -16.323 380 HB2 ARG 60 2HB ARG 60 6.047 -14.141 -15.592 381 HB3 ARG 60 3HB ARG 60 5.319 -15.170 -16.817 382 HG2 ARG 60 2HG ARG 60 5.411 -15.945 -13.919 383 HG3 ARG 60 3HG ARG 60 4.102 -14.981 -14.607 384 HD2 ARG 60 2HD ARG 60 3.518 -16.740 -16.122 385 HD3 ARG 60 3HD ARG 60 4.945 -17.672 -15.669 386 HE ARG 60 HE ARG 60 3.625 -17.406 -13.328 387 HH11 ARG 60 1HH1 ARG 60 2.664 -18.485 -16.496 388 HH12 ARG 60 2HH1 ARG 60 1.460 -19.580 -15.901 389 HH21 ARG 60 1HH2 ARG 60 2.042 -18.844 -12.532 390 HH22 ARG 60 2HH2 ARG 60 1.107 -19.782 -13.646 391 H THR 61 H THR 61 8.151 -16.947 -18.063 392 HA THR 61 HA THR 61 9.635 -14.492 -18.740 393 HB THR 61 HB THR 61 11.233 -16.188 -18.289 394 HG1 THR 61 HG1 THR 61 11.026 -16.434 -21.091 395 HG21 THR 61 1HG2 THR 61 9.208 -17.937 -19.400 396 HG22 THR 61 2HG2 THR 61 10.564 -18.318 -18.338 397 HG23 THR 61 3HG2 THR 61 10.799 -18.267 -20.085 398 H LYS 62 H LYS 62 8.468 -13.444 -20.234 399 HA LYS 62 HA LYS 62 7.761 -14.908 -22.676 400 HB2 LYS 62 2HB LYS 62 5.669 -13.397 -22.744 401 HB3 LYS 62 3HB LYS 62 5.647 -14.806 -21.692 402 HG2 LYS 62 2HG LYS 62 6.635 -12.369 -20.410 403 HG3 LYS 62 3HG LYS 62 4.956 -12.285 -20.949 404 HD2 LYS 62 2HD LYS 62 5.711 -14.773 -19.571 405 HD3 LYS 62 3HD LYS 62 5.751 -13.318 -18.572 406 HE2 LYS 62 2HE LYS 62 3.570 -14.178 -18.347 407 HE3 LYS 62 3HE LYS 62 3.428 -12.821 -19.463 408 HZ1 LYS 62 1HZ LYS 62 2.275 -15.042 -20.021 409 HZ2 LYS 62 2HZ LYS 62 3.814 -15.548 -20.504 410 HZ3 LYS 62 3HZ LYS 62 3.091 -14.213 -21.250 411 HA PRO 63 HA PRO 63 9.534 -11.527 -24.840 412 HB2 PRO 63 2HB PRO 63 7.972 -11.403 -27.057 413 HB3 PRO 63 3HB PRO 63 9.142 -12.698 -26.777 414 HG2 PRO 63 2HG PRO 63 6.181 -12.692 -26.337 415 HG3 PRO 63 3HG PRO 63 7.204 -13.954 -27.048 416 HD2 PRO 63 2HD PRO 63 6.330 -14.058 -24.488 417 HD3 PRO 63 3HD PRO 63 7.894 -14.730 -24.991 418 H SER 64 H SER 64 6.206 -11.411 -23.911 419 HA SER 64 HA SER 64 5.385 -8.942 -24.849 420 HB2 SER 64 2HB SER 64 4.745 -10.236 -22.188 421 HB3 SER 64 3HB SER 64 3.852 -8.892 -22.899 422 HG SER 64 HG SER 64 3.803 -11.575 -23.522 423 H VAL 65 H VAL 65 5.370 -6.847 -23.954 424 HA VAL 65 HA VAL 65 7.669 -6.308 -22.199 425 HB VAL 65 HB VAL 65 7.519 -3.971 -23.078 426 HG11 VAL 65 1HG1 VAL 65 8.998 -5.830 -24.004 427 HG12 VAL 65 2HG1 VAL 65 7.841 -5.929 -25.333 428 HG13 VAL 65 3HG1 VAL 65 8.723 -4.430 -25.040 429 HG21 VAL 65 1HG2 VAL 65 5.046 -4.486 -23.833 430 HG22 VAL 65 2HG2 VAL 65 6.044 -3.321 -24.703 431 HG23 VAL 65 3HG2 VAL 65 5.847 -4.956 -25.333 432 H PHE 66 H PHE 66 7.480 -4.806 -20.500 433 HA PHE 66 HA PHE 66 4.722 -4.456 -19.536 434 HB2 PHE 66 2HB PHE 66 7.228 -4.356 -17.856 435 HB3 PHE 66 3HB PHE 66 5.563 -4.505 -17.302 436 HD1 PHE 66 HD1 PHE 66 8.526 -6.244 -18.209 437 HD2 PHE 66 HD2 PHE 66 4.295 -6.630 -17.957 438 HE1 PHE 66 HE1 PHE 66 8.753 -8.694 -18.212 439 HE2 PHE 66 HE2 PHE 66 4.515 -9.080 -17.958 440 HZ PHE 66 HZ PHE 66 6.746 -10.116 -18.085 441 H VAL 67 H VAL 67 3.935 -2.467 -19.214 442 HA VAL 67 HA VAL 67 5.815 -0.201 -19.214 443 HB VAL 67 HB VAL 67 4.200 1.119 -20.515 444 HG11 VAL 67 1HG1 VAL 67 5.575 -1.266 -21.546 445 HG12 VAL 67 2HG1 VAL 67 4.356 -0.577 -22.621 446 HG13 VAL 67 3HG1 VAL 67 5.693 0.421 -22.047 447 HG21 VAL 67 1HG2 VAL 67 2.487 -0.452 -21.784 448 HG22 VAL 67 2HG2 VAL 67 2.614 -1.385 -20.293 449 HG23 VAL 67 3HG2 VAL 67 2.088 0.298 -20.238 450 H VAL 68 H VAL 68 5.382 1.437 -17.808 451 HA VAL 68 HA VAL 68 2.981 1.136 -16.122 452 HB VAL 68 HB VAL 68 5.676 2.187 -15.250 453 HG11 VAL 68 1HG1 VAL 68 3.054 2.430 -14.135 454 HG12 VAL 68 2HG1 VAL 68 4.059 1.450 -13.065 455 HG13 VAL 68 3HG1 VAL 68 4.583 3.069 -13.531 456 HG21 VAL 68 1HG2 VAL 68 5.627 -0.261 -15.713 457 HG22 VAL 68 2HG2 VAL 68 5.958 0.141 -14.028 458 HG23 VAL 68 3HG2 VAL 68 4.354 -0.418 -14.503 459 H PHE 69 H PHE 69 1.603 2.756 -16.355 460 HA PHE 69 HA PHE 69 2.442 5.253 -17.551 461 HB2 PHE 69 2HB PHE 69 -0.275 4.338 -16.583 462 HB3 PHE 69 3HB PHE 69 0.035 5.823 -17.476 463 HD1 PHE 69 HD1 PHE 69 0.222 5.819 -19.821 464 HD2 PHE 69 HD2 PHE 69 0.133 2.137 -17.688 465 HE1 PHE 69 HE1 PHE 69 -0.049 4.600 -21.942 466 HE2 PHE 69 HE2 PHE 69 -0.138 0.913 -19.804 467 HZ PHE 69 HZ PHE 69 -0.229 2.144 -21.935 468 H ASN 70 H ASN 70 2.269 7.299 -16.607 469 HA ASN 70 HA ASN 70 2.648 7.304 -13.728 470 HB2 ASN 70 2HB ASN 70 4.135 8.587 -15.309 471 HB3 ASN 70 3HB ASN 70 2.771 9.654 -15.625 472 HD21 ASN 70 1HD2 ASN 70 4.352 11.251 -14.831 473 HD22 ASN 70 2HD2 ASN 70 4.429 11.541 -13.129 474 H SER 71 H SER 71 0.466 8.752 -16.116 475 HA SER 71 HA SER 71 -1.136 10.050 -14.114 476 HB2 SER 71 2HB SER 71 -1.727 9.571 -17.045 477 HB3 SER 71 3HB SER 71 -2.591 10.681 -15.982 478 HG SER 71 HG SER 71 -0.608 11.326 -17.438 479 H SER 72 H SER 72 -2.849 9.269 -13.063 480 HA SER 72 HA SER 72 -3.488 6.541 -13.087 481 HB2 SER 72 2HB SER 72 -5.528 8.502 -12.140 482 HB3 SER 72 3HB SER 72 -4.952 7.021 -11.376 483 HG SER 72 HG SER 72 -3.373 8.096 -10.453 484 H GLU 73 H GLU 73 -5.305 9.315 -14.388 485 HA GLU 73 HA GLU 73 -7.464 7.917 -15.438 486 HB2 GLU 73 2HB GLU 73 -6.722 10.535 -15.368 487 HB3 GLU 73 3HB GLU 73 -6.504 10.174 -17.075 488 HG2 GLU 73 2HG GLU 73 -8.794 9.473 -17.273 489 HG3 GLU 73 3HG GLU 73 -9.037 9.655 -15.536 490 H GLU 74 H GLU 74 -4.570 9.016 -17.218 491 HA GLU 74 HA GLU 74 -5.136 7.702 -19.611 492 HB2 GLU 74 2HB GLU 74 -3.398 9.454 -19.317 493 HB3 GLU 74 3HB GLU 74 -2.402 8.286 -18.461 494 HG2 GLU 74 2HG GLU 74 -1.490 7.844 -20.435 495 HG3 GLU 74 3HG GLU 74 -2.983 6.981 -20.801 496 H ALA 75 H ALA 75 -3.516 6.565 -16.702 497 HA ALA 75 HA ALA 75 -2.444 4.180 -17.675 498 HB1 ALA 75 1HB ALA 75 -2.514 3.407 -15.330 499 HB2 ALA 75 2HB ALA 75 -1.846 5.031 -15.499 500 HB3 ALA 75 3HB ALA 75 -3.499 4.813 -14.923 501 H GLU 76 H GLU 76 -5.597 4.740 -16.109 502 HA GLU 76 HA GLU 76 -6.520 2.090 -16.385 503 HB2 GLU 76 2HB GLU 76 -8.052 4.679 -16.097 504 HB3 GLU 76 3HB GLU 76 -8.776 3.081 -15.983 505 HG2 GLU 76 2HG GLU 76 -6.510 3.910 -14.208 506 HG3 GLU 76 3HG GLU 76 -8.187 4.286 -13.815 507 H ALA 77 H ALA 77 -6.812 4.940 -18.443 508 HA ALA 77 HA ALA 77 -8.670 3.999 -20.286 509 HB1 ALA 77 1HB ALA 77 -6.358 5.673 -21.175 510 HB2 ALA 77 2HB ALA 77 -8.057 5.770 -21.639 511 HB3 ALA 77 3HB ALA 77 -7.546 6.327 -20.046 512 H PHE 78 H PHE 78 -5.113 3.810 -20.453 513 HA PHE 78 HA PHE 78 -5.053 2.281 -22.830 514 HB2 PHE 78 2HB PHE 78 -3.083 3.010 -20.716 515 HB3 PHE 78 3HB PHE 78 -2.680 1.675 -21.790 516 HD1 PHE 78 HD1 PHE 78 -1.626 2.126 -23.786 517 HD2 PHE 78 HD2 PHE 78 -3.892 5.196 -21.899 518 HE1 PHE 78 HE1 PHE 78 -0.872 3.728 -25.494 519 HE2 PHE 78 HE2 PHE 78 -3.142 6.802 -23.605 520 HZ PHE 78 HZ PHE 78 -1.630 6.069 -25.406 521 H GLN 79 H GLN 79 -5.087 1.419 -19.415 522 HA GLN 79 HA GLN 79 -4.481 -1.289 -19.609 523 HB2 GLN 79 2HB GLN 79 -5.512 0.490 -17.621 524 HB3 GLN 79 3HB GLN 79 -6.472 -0.984 -17.609 525 HG2 GLN 79 2HG GLN 79 -4.692 -2.304 -16.996 526 HG3 GLN 79 3HG GLN 79 -3.498 -1.171 -17.628 527 HE21 GLN 79 1HE2 GLN 79 -6.198 -0.871 -15.345 528 HE22 GLN 79 2HE2 GLN 79 -5.261 -0.196 -14.061 529 H LYS 80 H LYS 80 -7.657 0.304 -19.738 530 HA LYS 80 HA LYS 80 -9.213 -1.995 -20.045 531 HB2 LYS 80 2HB LYS 80 -10.111 0.260 -19.546 532 HB3 LYS 80 3HB LYS 80 -9.740 0.753 -21.193 533 HG2 LYS 80 2HG LYS 80 -11.320 -0.851 -22.070 534 HG3 LYS 80 3HG LYS 80 -11.642 -1.459 -20.444 535 HD2 LYS 80 2HD LYS 80 -13.369 -0.009 -20.528 536 HD3 LYS 80 3HD LYS 80 -12.135 1.174 -20.089 537 HE2 LYS 80 2HE LYS 80 -11.800 1.685 -22.466 538 HE3 LYS 80 3HE LYS 80 -13.054 0.519 -22.888 539 HZ1 LYS 80 1HZ LYS 80 -14.196 2.195 -21.028 540 HZ2 LYS 80 2HZ LYS 80 -14.495 2.174 -22.692 541 HZ3 LYS 80 3HZ LYS 80 -13.327 3.220 -22.056 542 H ALA 81 H ALA 81 -8.461 0.308 -22.663 543 HA ALA 81 HA ALA 81 -8.238 -1.992 -24.493 544 HB1 ALA 81 1HB ALA 81 -10.006 -1.228 -25.597 545 HB2 ALA 81 2HB ALA 81 -10.077 0.217 -24.587 546 HB3 ALA 81 3HB ALA 81 -9.059 0.197 -26.027 547 HA PRO 82 HA PRO 82 -4.393 -0.400 -25.884 548 HB2 PRO 82 2HB PRO 82 -4.476 -0.919 -28.548 549 HB3 PRO 82 3HB PRO 82 -4.286 -2.184 -27.328 550 HG2 PRO 82 2HG PRO 82 -6.750 -1.317 -28.791 551 HG3 PRO 82 3HG PRO 82 -6.186 -2.958 -28.423 552 HD2 PRO 82 2HD PRO 82 -8.115 -1.722 -26.979 553 HD3 PRO 82 3HD PRO 82 -6.978 -2.880 -26.259 554 HA PRO 83 HA PRO 83 -4.668 3.681 -27.499 555 HB2 PRO 83 2HB PRO 83 -2.402 3.896 -28.979 556 HB3 PRO 83 3HB PRO 83 -2.396 3.856 -27.212 557 HG2 PRO 83 2HG PRO 83 -1.847 1.649 -29.159 558 HG3 PRO 83 3HG PRO 83 -0.988 2.061 -27.663 559 HD2 PRO 83 2HD PRO 83 -2.794 0.048 -27.798 560 HD3 PRO 83 3HD PRO 83 -2.549 1.014 -26.329 561 H MET 84 H MET 84 -4.024 1.146 -29.869 562 HA MET 84 HA MET 84 -4.713 0.841 -32.014 563 HB2 MET 84 2HB MET 84 -6.853 2.205 -30.685 564 HB3 MET 84 3HB MET 84 -6.750 2.782 -32.343 565 HG2 MET 84 2HG MET 84 -6.490 -0.037 -32.388 566 HG3 MET 84 3HG MET 84 -7.866 0.368 -31.364 567 HE1 MET 84 1HE MET 84 -10.359 0.028 -33.270 568 HE2 MET 84 2HE MET 84 -9.813 0.928 -31.855 569 HE3 MET 84 3HE MET 84 -10.447 1.790 -33.258 570 H TYR 85 H TYR 85 -2.897 1.592 -33.062 571 HA TYR 85 HA TYR 85 -3.029 4.376 -34.020 572 HB2 TYR 85 2HB TYR 85 -1.004 3.237 -32.526 573 HB3 TYR 85 3HB TYR 85 -0.394 3.116 -34.172 574 HD1 TYR 85 HD1 TYR 85 0.073 4.990 -31.473 575 HD2 TYR 85 HD2 TYR 85 -1.305 5.525 -35.463 576 HE1 TYR 85 HE1 TYR 85 0.757 7.351 -31.387 577 HE2 TYR 85 HE2 TYR 85 -0.625 7.887 -35.388 578 HH TYR 85 HH TYR 85 1.040 9.283 -34.098 579 H ASP 86 H ASP 86 -3.254 4.627 -36.138 580 HA ASP 86 HA ASP 86 -3.646 2.557 -37.933 581 HB2 ASP 86 2HB ASP 86 -2.747 5.390 -38.501 582 HB3 ASP 86 3HB ASP 86 -3.369 4.271 -39.711 583 H ASP 87 H ASP 87 -0.702 4.442 -37.337 584 HA ASP 87 HA ASP 87 0.925 3.432 -39.326 585 HB2 ASP 87 2HB ASP 87 1.305 5.157 -37.284 586 HB3 ASP 87 3HB ASP 87 2.194 3.766 -36.670 587 H VAL 88 H VAL 88 0.836 2.238 -35.962 588 HA VAL 88 HA VAL 88 1.415 -0.456 -36.998 589 HB VAL 88 HB VAL 88 2.656 0.777 -34.534 590 HG11 VAL 88 1HG1 VAL 88 2.290 -1.536 -34.122 591 HG12 VAL 88 2HG1 VAL 88 2.863 -1.978 -35.731 592 HG13 VAL 88 3HG1 VAL 88 3.994 -1.348 -34.533 593 HG21 VAL 88 1HG2 VAL 88 4.607 -0.133 -36.348 594 HG22 VAL 88 2HG2 VAL 88 3.449 0.812 -37.284 595 HG23 VAL 88 3HG2 VAL 88 4.249 1.532 -35.887 596 H GLN 89 H GLN 89 0.091 -1.992 -36.264 597 HA GLN 89 HA GLN 89 -2.111 -1.362 -34.607 598 HB2 GLN 89 2HB GLN 89 -1.024 -4.022 -35.539 599 HB3 GLN 89 3HB GLN 89 -2.545 -3.831 -34.677 600 HG2 GLN 89 2HG GLN 89 -3.295 -2.312 -36.516 601 HG3 GLN 89 3HG GLN 89 -1.836 -2.763 -37.395 602 HE21 GLN 89 1HE2 GLN 89 -1.518 -5.202 -37.548 603 HE22 GLN 89 2HE2 GLN 89 -2.918 -6.123 -37.965 604 H LEU 90 H LEU 90 -2.132 -1.143 -32.479 605 HA LEU 90 HA LEU 90 -0.041 -2.443 -30.887 606 HB2 LEU 90 2HB LEU 90 -1.372 0.099 -30.786 607 HB3 LEU 90 3HB LEU 90 -1.586 -0.754 -29.259 608 HG LEU 90 HG LEU 90 0.324 0.692 -29.095 609 HD11 LEU 90 1HD1 LEU 90 1.822 -0.809 -28.190 610 HD12 LEU 90 2HD1 LEU 90 1.561 -2.002 -29.463 611 HD13 LEU 90 3HD1 LEU 90 0.334 -1.756 -28.221 612 HD21 LEU 90 1HD2 LEU 90 1.426 -0.768 -31.495 613 HD22 LEU 90 2HD2 LEU 90 2.255 0.477 -30.560 614 HD23 LEU 90 3HD2 LEU 90 0.812 0.886 -31.489 615 H THR 91 H THR 91 -0.480 -3.974 -29.408 616 HA THR 91 HA THR 91 -3.308 -4.566 -28.831 617 HB THR 91 HB THR 91 -1.401 -6.837 -28.821 618 HG1 THR 91 HG1 THR 91 -1.838 -7.041 -31.164 619 HG21 THR 91 1HG2 THR 91 -3.508 -7.588 -28.351 620 HG22 THR 91 2HG2 THR 91 -3.553 -7.722 -30.109 621 HG23 THR 91 3HG2 THR 91 -4.288 -6.332 -29.311 622 H ALA 92 H ALA 92 -3.535 -3.929 -26.770 623 HA ALA 92 HA ALA 92 -1.485 -4.762 -24.825 624 HB1 ALA 92 1HB ALA 92 -1.711 -2.810 -23.734 625 HB2 ALA 92 2HB ALA 92 -2.377 -2.244 -25.266 626 HB3 ALA 92 3HB ALA 92 -3.458 -2.759 -23.971 627 H GLU 93 H GLU 93 -2.089 -5.809 -22.946 628 HA GLU 93 HA GLU 93 -4.850 -6.833 -22.915 629 HB2 GLU 93 2HB GLU 93 -2.218 -8.085 -22.268 630 HB3 GLU 93 3HB GLU 93 -3.641 -8.631 -21.392 631 HG2 GLU 93 2HG GLU 93 -3.438 -8.569 -24.391 632 HG3 GLU 93 3HG GLU 93 -3.069 -9.981 -23.403 633 H MET 94 H MET 94 -5.614 -7.482 -20.688 634 HA MET 94 HA MET 94 -4.959 -5.316 -18.820 635 HB2 MET 94 2HB MET 94 -7.379 -6.040 -19.739 636 HB3 MET 94 3HB MET 94 -7.292 -7.078 -18.322 637 HG2 MET 94 2HG MET 94 -6.936 -5.154 -16.898 638 HG3 MET 94 3HG MET 94 -6.926 -4.092 -18.304 639 HE1 MET 94 1HE MET 94 -9.494 -4.575 -15.430 640 HE2 MET 94 2HE MET 94 -8.343 -3.387 -16.041 641 HE3 MET 94 3HE MET 94 -10.069 -3.175 -16.335 642 H LYS 95 H LYS 95 -4.679 -5.748 -16.587 643 HA LYS 95 HA LYS 95 -3.056 -7.958 -16.001 644 HB2 LYS 95 2HB LYS 95 -3.273 -7.241 -13.642 645 HB3 LYS 95 3HB LYS 95 -2.893 -5.907 -14.723 646 HG2 LYS 95 2HG LYS 95 -5.356 -5.376 -14.745 647 HG3 LYS 95 3HG LYS 95 -5.532 -6.547 -13.435 648 HD2 LYS 95 2HD LYS 95 -4.591 -5.174 -11.913 649 HD3 LYS 95 3HD LYS 95 -3.399 -4.554 -13.058 650 HE2 LYS 95 2HE LYS 95 -5.151 -3.161 -14.086 651 HE3 LYS 95 3HE LYS 95 -6.305 -3.755 -12.893 652 HZ1 LYS 95 1HZ LYS 95 -3.798 -2.450 -12.045 653 HZ2 LYS 95 2HZ LYS 95 -5.246 -2.624 -11.189 654 HZ3 LYS 95 3HZ LYS 95 -5.149 -1.525 -12.471 655 H THR 96 H THR 96 -6.500 -7.413 -15.569 656 HA THR 96 HA THR 96 -7.084 -9.577 -13.894 657 HB THR 96 HB THR 96 -9.155 -9.059 -15.893 658 HG1 THR 96 HG1 THR 96 -8.436 -6.862 -14.252 659 HG21 THR 96 1HG2 THR 96 -9.470 -10.104 -13.646 660 HG22 THR 96 2HG2 THR 96 -10.520 -8.719 -13.945 661 HG23 THR 96 3HG2 THR 96 -9.096 -8.541 -12.921 662 H THR 97 H THR 97 -7.074 -9.365 -17.441 663 HA THR 97 HA THR 97 -7.953 -11.932 -18.026 664 HB THR 97 HB THR 97 -5.797 -10.731 -19.711 665 HG1 THR 97 HG1 THR 97 -7.370 -9.259 -20.547 666 HG21 THR 97 1HG2 THR 97 -8.260 -12.363 -20.088 667 HG22 THR 97 2HG2 THR 97 -6.656 -12.563 -20.792 668 HG23 THR 97 3HG2 THR 97 -7.740 -11.315 -21.406 669 H TYR 98 H TYR 98 -4.589 -10.796 -17.708 670 HA TYR 98 HA TYR 98 -3.339 -13.255 -18.103 671 HB2 TYR 98 2HB TYR 98 -2.582 -10.671 -16.859 672 HB3 TYR 98 3HB TYR 98 -1.597 -12.066 -16.430 673 HD1 TYR 98 HD1 TYR 98 -2.485 -9.708 -19.051 674 HD2 TYR 98 HD2 TYR 98 -0.329 -13.270 -18.172 675 HE1 TYR 98 HE1 TYR 98 -1.232 -9.461 -21.153 676 HE2 TYR 98 HE2 TYR 98 0.931 -13.032 -20.272 677 HH TYR 98 HH TYR 98 0.519 -11.890 -22.545 678 H LEU 99 H LEU 99 -4.349 -11.704 -15.067 679 HA LEU 99 HA LEU 99 -3.432 -13.593 -13.270 680 HB2 LEU 99 2HB LEU 99 -4.323 -11.521 -12.495 681 HB3 LEU 99 3HB LEU 99 -5.900 -11.871 -13.201 682 HG LEU 99 HG LEU 99 -5.126 -13.879 -11.258 683 HD11 LEU 99 1HD1 LEU 99 -5.443 -11.067 -10.225 684 HD12 LEU 99 2HD1 LEU 99 -3.908 -11.931 -10.310 685 HD13 LEU 99 3HD1 LEU 99 -5.203 -12.535 -9.277 686 HD21 LEU 99 1HD2 LEU 99 -7.423 -12.900 -12.325 687 HD22 LEU 99 2HD2 LEU 99 -7.411 -12.109 -10.749 688 HD23 LEU 99 3HD2 LEU 99 -7.334 -13.869 -10.854 689 H GLU 100 H GLU 100 -6.495 -13.542 -15.055 690 HA GLU 100 HA GLU 100 -7.564 -15.882 -13.876 691 HB2 GLU 100 2HB GLU 100 -8.902 -14.176 -15.099 692 HB3 GLU 100 3HB GLU 100 -8.173 -14.725 -16.601 693 HG2 GLU 100 2HG GLU 100 -9.381 -16.652 -16.651 694 HG3 GLU 100 3HG GLU 100 -9.516 -16.745 -14.896 695 H ARG 101 H ARG 101 -5.587 -15.313 -16.739 696 HA ARG 101 HA ARG 101 -5.740 -17.853 -17.888 697 HB2 ARG 101 2HB ARG 101 -4.077 -15.492 -18.163 698 HB3 ARG 101 3HB ARG 101 -3.137 -16.964 -18.365 699 HG2 ARG 101 2HG ARG 101 -3.798 -16.723 -20.506 700 HG3 ARG 101 3HG ARG 101 -5.224 -17.579 -19.915 701 HD2 ARG 101 2HD ARG 101 -6.334 -15.419 -19.526 702 HD3 ARG 101 3HD ARG 101 -4.917 -14.590 -20.170 703 HE ARG 101 HE ARG 101 -7.000 -15.834 -21.667 704 HH11 ARG 101 1HH1 ARG 101 -3.599 -15.093 -21.681 705 HH12 ARG 101 2HH1 ARG 101 -3.473 -15.090 -23.409 706 HH21 ARG 101 1HH2 ARG 101 -6.848 -15.832 -23.943 707 HH22 ARG 101 2HH2 ARG 101 -5.322 -15.509 -24.695 708 H LYS 102 H LYS 102 -3.179 -16.568 -15.761 709 HA LYS 102 HA LYS 102 -1.818 -19.002 -15.442 710 HB2 LYS 102 2HB LYS 102 -0.757 -17.927 -13.487 711 HB3 LYS 102 3HB LYS 102 -0.764 -16.885 -14.903 712 HG2 LYS 102 2HG LYS 102 -2.756 -15.731 -13.974 713 HG3 LYS 102 3HG LYS 102 -2.584 -16.705 -12.513 714 HD2 LYS 102 2HD LYS 102 -0.457 -14.873 -13.620 715 HD3 LYS 102 3HD LYS 102 -1.570 -14.451 -12.316 716 HE2 LYS 102 2HE LYS 102 -0.559 -16.826 -11.439 717 HE3 LYS 102 3HE LYS 102 0.827 -16.140 -12.285 718 HZ1 LYS 102 1HZ LYS 102 0.211 -15.583 -9.755 719 HZ2 LYS 102 2HZ LYS 102 -0.598 -14.319 -10.535 720 HZ3 LYS 102 3HZ LYS 102 1.066 -14.525 -10.761 721 H ALA 103 H ALA 103 -4.410 -17.507 -13.563 722 HA ALA 103 HA ALA 103 -4.460 -19.225 -11.382 723 HB1 ALA 103 1HB ALA 103 -6.399 -17.429 -12.691 724 HB2 ALA 103 2HB ALA 103 -7.079 -18.678 -11.646 725 HB3 ALA 103 3HB ALA 103 -5.904 -17.532 -11.001 726 H GLU 104 H GLU 104 -6.060 -19.554 -14.532 727 HA GLU 104 HA GLU 104 -7.332 -22.023 -13.879 728 HB2 GLU 104 2HB GLU 104 -7.564 -20.165 -15.915 729 HB3 GLU 104 3HB GLU 104 -6.871 -21.563 -16.725 730 HG2 GLU 104 2HG GLU 104 -9.209 -21.956 -14.928 731 HG3 GLU 104 3HG GLU 104 -9.462 -21.258 -16.527 732 H GLU 105 H GLU 105 -4.315 -21.118 -15.443 733 HA GLU 105 HA GLU 105 -3.587 -23.579 -16.523 734 HB2 GLU 105 2HB GLU 105 -2.417 -21.389 -16.882 735 HB3 GLU 105 3HB GLU 105 -1.703 -21.568 -15.285 736 HG2 GLU 105 2HG GLU 105 -0.394 -23.378 -15.938 737 HG3 GLU 105 3HG GLU 105 -1.371 -23.688 -17.371 738 H ILE 106 H ILE 106 -2.610 -22.221 -13.371 739 HA ILE 106 HA ILE 106 -1.359 -24.578 -12.455 740 HB ILE 106 HB ILE 106 -0.887 -22.389 -11.467 741 HG12 ILE 106 2HG1 ILE 106 -1.900 -23.555 -9.033 742 HG13 ILE 106 3HG1 ILE 106 -1.281 -24.818 -10.092 743 HG21 ILE 106 1HG2 ILE 106 -2.408 -21.126 -10.253 744 HG22 ILE 106 2HG2 ILE 106 -3.384 -21.735 -11.589 745 HG23 ILE 106 3HG2 ILE 106 -3.493 -22.493 -10.000 746 HD11 ILE 106 1HD1 ILE 106 0.608 -22.742 -10.139 747 HD12 ILE 106 2HD1 ILE 106 0.149 -22.978 -8.452 748 HD13 ILE 106 3HD1 ILE 106 0.757 -24.335 -9.399 749 H ALA 107 H ALA 107 -4.660 -23.412 -12.276 750 HA ALA 107 HA ALA 107 -5.629 -25.179 -10.317 751 HB1 ALA 107 1HB ALA 107 -7.009 -23.362 -10.831 752 HB2 ALA 107 2HB ALA 107 -6.954 -23.694 -12.563 753 HB3 ALA 107 3HB ALA 107 -7.862 -24.759 -11.489 754 H ALA 108 H ALA 108 -5.494 -25.459 -13.854 755 HA ALA 108 HA ALA 108 -6.766 -27.987 -13.986 756 HB1 ALA 108 1HB ALA 108 -6.727 -26.622 -15.940 757 HB2 ALA 108 2HB ALA 108 -4.964 -26.553 -15.927 758 HB3 ALA 108 3HB ALA 108 -5.784 -28.072 -16.286 759 H LYS 109 H LYS 109 -3.366 -26.997 -13.886 760 HA LYS 109 HA LYS 109 -2.250 -29.559 -14.234 761 HB2 LYS 109 2HB LYS 109 -1.158 -27.105 -12.849 762 HB3 LYS 109 3HB LYS 109 -0.210 -28.547 -13.190 763 HG2 LYS 109 2HG LYS 109 -1.434 -27.789 -15.611 764 HG3 LYS 109 3HG LYS 109 -0.775 -26.323 -14.882 765 HD2 LYS 109 2HD LYS 109 0.814 -28.865 -15.158 766 HD3 LYS 109 3HD LYS 109 0.781 -27.618 -16.406 767 HE2 LYS 109 2HE LYS 109 1.515 -27.046 -13.545 768 HE3 LYS 109 3HE LYS 109 2.704 -27.520 -14.757 769 HZ1 LYS 109 1HZ LYS 109 2.314 -25.041 -14.340 770 HZ2 LYS 109 2HZ LYS 109 0.891 -25.242 -15.231 771 HZ3 LYS 109 3HZ LYS 109 2.389 -25.572 -15.945 772 H LYS 110 H LYS 110 -2.876 -27.688 -11.269 773 HA LYS 110 HA LYS 110 -2.184 -29.927 -9.585 774 HB2 LYS 110 2HB LYS 110 -3.275 -27.173 -9.018 775 HB3 LYS 110 3HB LYS 110 -3.023 -28.370 -7.754 776 HG2 LYS 110 2HG LYS 110 -0.782 -27.641 -9.589 777 HG3 LYS 110 3HG LYS 110 -1.199 -26.594 -8.229 778 HD2 LYS 110 2HD LYS 110 -0.866 -29.515 -7.739 779 HD3 LYS 110 3HD LYS 110 0.577 -28.526 -7.974 780 HE2 LYS 110 2HE LYS 110 -1.224 -27.198 -6.186 781 HE3 LYS 110 3HE LYS 110 -0.947 -28.846 -5.627 782 HZ1 LYS 110 1HZ LYS 110 1.525 -28.216 -6.123 783 HZ2 LYS 110 2HZ LYS 110 0.798 -27.767 -4.663 784 HZ3 LYS 110 3HZ LYS 110 0.957 -26.636 -5.911 Start of MODEL 15 1 H1 THR 12 H THR 12 -1.640 -1.178 -0.099 2 HA THR 12 HA THR 12 0.811 0.001 -1.191 3 HB THR 12 HB THR 12 1.111 -2.551 -2.054 4 HG1 THR 12 HG1 THR 12 -0.062 -2.645 0.534 5 HG21 THR 12 1HG2 THR 12 2.742 -0.950 -0.915 6 HG22 THR 12 2HG2 THR 12 2.988 -2.673 -0.635 7 HG23 THR 12 3HG2 THR 12 2.220 -1.679 0.602 8 H ASP 13 H ASP 13 0.665 0.476 -3.298 9 HA ASP 13 HA ASP 13 -1.457 -0.808 -4.882 10 HB2 ASP 13 2HB ASP 13 -1.625 1.513 -6.035 11 HB3 ASP 13 3HB ASP 13 -2.431 1.273 -4.487 12 H HIS 14 H HIS 14 -0.853 -1.503 -6.844 13 HA HIS 14 HA HIS 14 1.666 -0.503 -7.978 14 HB2 HIS 14 2HB HIS 14 2.181 -2.858 -8.693 15 HB3 HIS 14 3HB HIS 14 2.273 -2.584 -6.955 16 HD1 HIS 14 HD1 HIS 14 0.797 -3.994 -5.487 17 HD2 HIS 14 HD2 HIS 14 -0.158 -4.329 -9.517 18 HE1 HIS 14 HE1 HIS 14 -0.870 -5.871 -5.629 19 H GLN 15 H GLN 15 1.580 -0.050 -10.096 20 HA GLN 15 HA GLN 15 -0.740 -1.038 -11.620 21 HB2 GLN 15 2HB GLN 15 -0.703 1.113 -12.857 22 HB3 GLN 15 3HB GLN 15 -1.078 1.305 -11.150 23 HG2 GLN 15 2HG GLN 15 1.625 1.603 -11.152 24 HG3 GLN 15 3HG GLN 15 1.183 2.306 -12.707 25 HE21 GLN 15 1HE2 GLN 15 2.051 3.321 -9.928 26 HE22 GLN 15 2HE2 GLN 15 0.961 4.628 -9.632 27 H THR 16 H THR 16 -0.225 -2.198 -13.345 28 HA THR 16 HA THR 16 2.119 -1.545 -14.929 29 HB THR 16 HB THR 16 1.807 -4.330 -13.795 30 HG1 THR 16 HG1 THR 16 2.597 -3.134 -12.132 31 HG21 THR 16 1HG2 THR 16 3.062 -4.847 -15.581 32 HG22 THR 16 2HG2 THR 16 4.375 -4.031 -14.732 33 HG23 THR 16 3HG2 THR 16 3.419 -3.155 -15.927 34 H VAL 17 H VAL 17 1.811 -1.954 -17.045 35 HA VAL 17 HA VAL 17 -0.560 -3.542 -17.787 36 HB VAL 17 HB VAL 17 0.610 -1.236 -19.346 37 HG11 VAL 17 1HG1 VAL 17 -0.545 -2.233 -20.991 38 HG12 VAL 17 2HG1 VAL 17 -1.469 -3.234 -19.868 39 HG13 VAL 17 3HG1 VAL 17 -1.962 -1.568 -20.178 40 HG21 VAL 17 1HG2 VAL 17 -0.290 -0.194 -17.472 41 HG22 VAL 17 2HG2 VAL 17 -1.622 -0.156 -18.628 42 HG23 VAL 17 3HG2 VAL 17 -1.609 -1.357 -17.337 43 H TYR 18 H TYR 18 -0.426 -4.900 -19.577 44 HA TYR 18 HA TYR 18 2.320 -5.503 -20.451 45 HB2 TYR 18 2HB TYR 18 -0.039 -7.385 -20.533 46 HB3 TYR 18 3HB TYR 18 1.663 -7.784 -20.743 47 HD1 TYR 18 HD1 TYR 18 3.096 -8.127 -18.857 48 HD2 TYR 18 HD2 TYR 18 -0.913 -6.821 -18.291 49 HE1 TYR 18 HE1 TYR 18 3.285 -8.610 -16.453 50 HE2 TYR 18 HE2 TYR 18 -0.736 -7.300 -15.885 51 HH TYR 18 HH TYR 18 0.920 -9.068 -14.479 52 H VAL 19 H VAL 19 2.820 -5.204 -22.517 53 HA VAL 19 HA VAL 19 0.633 -5.059 -24.489 54 HB VAL 19 HB VAL 19 3.149 -3.392 -24.572 55 HG11 VAL 19 1HG1 VAL 19 0.750 -3.677 -26.318 56 HG12 VAL 19 2HG1 VAL 19 1.546 -2.106 -26.199 57 HG13 VAL 19 3HG1 VAL 19 2.450 -3.515 -26.757 58 HG21 VAL 19 1HG2 VAL 19 1.953 -2.542 -22.736 59 HG22 VAL 19 2HG2 VAL 19 1.512 -1.499 -24.088 60 HG23 VAL 19 3HG2 VAL 19 0.399 -2.753 -23.543 61 H LYS 20 H LYS 20 1.089 -5.803 -26.582 62 HA LYS 20 HA LYS 20 2.601 -8.098 -26.815 63 HB2 LYS 20 2HB LYS 20 2.487 -7.618 -29.331 64 HB3 LYS 20 3HB LYS 20 0.963 -7.755 -28.462 65 HG2 LYS 20 2HG LYS 20 0.424 -5.590 -28.790 66 HG3 LYS 20 3HG LYS 20 2.097 -5.041 -28.670 67 HD2 LYS 20 2HD LYS 20 1.898 -6.644 -30.993 68 HD3 LYS 20 3HD LYS 20 0.532 -5.526 -31.007 69 HE2 LYS 20 2HE LYS 20 1.849 -3.724 -31.315 70 HE3 LYS 20 3HE LYS 20 3.111 -4.336 -30.248 71 HZ1 LYS 20 1HZ LYS 20 2.687 -4.896 -33.113 72 HZ2 LYS 20 2HZ LYS 20 3.578 -5.963 -32.150 73 HZ3 LYS 20 3HZ LYS 20 4.089 -4.361 -32.332 74 HA PRO 21 HA PRO 21 6.802 -6.945 -27.342 75 HB2 PRO 21 2HB PRO 21 7.655 -8.778 -29.154 76 HB3 PRO 21 3HB PRO 21 7.288 -9.186 -27.474 77 HG2 PRO 21 2HG PRO 21 5.602 -9.542 -29.921 78 HG3 PRO 21 3HG PRO 21 5.862 -10.660 -28.570 79 HD2 PRO 21 2HD PRO 21 3.643 -9.123 -28.782 80 HD3 PRO 21 3HD PRO 21 4.346 -9.576 -27.215 81 H VAL 22 H VAL 22 8.425 -6.220 -28.916 82 HA VAL 22 HA VAL 22 7.146 -4.956 -31.247 83 HB VAL 22 HB VAL 22 9.171 -3.415 -31.166 84 HG11 VAL 22 1HG1 VAL 22 6.728 -3.161 -30.114 85 HG12 VAL 22 2HG1 VAL 22 7.684 -3.029 -28.637 86 HG13 VAL 22 3HG1 VAL 22 7.964 -1.912 -29.973 87 HG21 VAL 22 1HG2 VAL 22 10.535 -3.327 -29.285 88 HG22 VAL 22 2HG2 VAL 22 9.419 -4.279 -28.307 89 HG23 VAL 22 3HG2 VAL 22 10.368 -5.059 -29.573 90 HA PRO 23 HA PRO 23 9.672 -7.189 -34.060 91 HB2 PRO 23 2HB PRO 23 10.078 -5.335 -36.002 92 HB3 PRO 23 3HB PRO 23 8.522 -6.135 -35.747 93 HG2 PRO 23 2HG PRO 23 9.429 -3.426 -34.851 94 HG3 PRO 23 3HG PRO 23 7.872 -3.911 -35.549 95 HD2 PRO 23 2HD PRO 23 8.223 -3.537 -32.890 96 HD3 PRO 23 3HD PRO 23 7.087 -4.734 -33.544 97 HA PRO 24 HA PRO 24 13.959 -6.374 -33.522 98 HB2 PRO 24 2HB PRO 24 15.019 -7.135 -35.902 99 HB3 PRO 24 3HB PRO 24 14.385 -8.287 -34.721 100 HG2 PRO 24 2HG PRO 24 13.084 -7.190 -37.184 101 HG3 PRO 24 3HG PRO 24 13.097 -8.855 -36.572 102 HD2 PRO 24 2HD PRO 24 10.989 -7.192 -36.225 103 HD3 PRO 24 3HD PRO 24 11.427 -8.438 -35.039 104 H THR 25 H THR 25 12.253 -4.783 -36.061 105 HA THR 25 HA THR 25 14.452 -3.062 -36.814 106 HB THR 25 HB THR 25 11.896 -2.056 -37.675 107 HG1 THR 25 HG1 THR 25 11.181 -3.889 -38.795 108 HG21 THR 25 1HG2 THR 25 14.338 -3.214 -38.987 109 HG22 THR 25 2HG2 THR 25 13.784 -1.539 -38.963 110 HG23 THR 25 3HG2 THR 25 12.925 -2.739 -39.929 111 H ALA 26 H ALA 26 11.520 -2.861 -34.868 112 HA ALA 26 HA ALA 26 11.517 -0.099 -34.397 113 HB1 ALA 26 1HB ALA 26 10.274 -0.775 -32.263 114 HB2 ALA 26 2HB ALA 26 9.562 -1.236 -33.810 115 HB3 ALA 26 3HB ALA 26 10.436 -2.431 -32.850 116 H THR 27 H THR 27 13.250 0.974 -33.683 117 HA THR 27 HA THR 27 15.083 -0.215 -31.784 118 HB THR 27 HB THR 27 15.990 2.307 -31.979 119 HG1 THR 27 HG1 THR 27 14.982 1.940 -34.580 120 HG21 THR 27 1HG2 THR 27 16.728 0.972 -34.411 121 HG22 THR 27 2HG2 THR 27 16.622 -0.197 -33.094 122 HG23 THR 27 3HG2 THR 27 17.673 1.211 -32.942 123 H LEU 28 H LEU 28 15.870 1.335 -29.974 124 HA LEU 28 HA LEU 28 13.705 1.695 -28.177 125 HB2 LEU 28 2HB LEU 28 16.434 1.433 -27.957 126 HB3 LEU 28 3HB LEU 28 16.162 3.110 -27.490 127 HG LEU 28 HG LEU 28 14.563 0.921 -26.221 128 HD11 LEU 28 1HD1 LEU 28 17.328 1.788 -25.389 129 HD12 LEU 28 2HD1 LEU 28 16.880 0.204 -26.021 130 HD13 LEU 28 3HD1 LEU 28 16.251 0.742 -24.464 131 HD21 LEU 28 1HD2 LEU 28 15.148 3.771 -25.765 132 HD22 LEU 28 2HD2 LEU 28 15.117 2.757 -24.322 133 HD23 LEU 28 3HD2 LEU 28 13.707 2.828 -25.381 134 H GLU 29 H GLU 29 15.744 3.951 -29.997 135 HA GLU 29 HA GLU 29 14.663 6.322 -28.938 136 HB2 GLU 29 2HB GLU 29 16.665 5.683 -30.733 137 HB3 GLU 29 3HB GLU 29 15.485 6.517 -31.734 138 HG2 GLU 29 2HG GLU 29 15.986 8.500 -30.862 139 HG3 GLU 29 3HG GLU 29 15.973 7.875 -29.214 140 H GLN 30 H GLN 30 13.751 4.356 -31.730 141 HA GLN 30 HA GLN 30 11.778 6.109 -32.736 142 HB2 GLN 30 2HB GLN 30 12.784 4.269 -34.047 143 HB3 GLN 30 3HB GLN 30 11.954 3.104 -33.023 144 HG2 GLN 30 2HG GLN 30 9.981 3.401 -34.053 145 HG3 GLN 30 3HG GLN 30 10.232 5.132 -34.269 146 HE21 GLN 30 1HE2 GLN 30 11.992 2.243 -35.343 147 HE22 GLN 30 2HE2 GLN 30 11.985 2.654 -37.021 148 H LEU 31 H LEU 31 11.613 3.353 -30.515 149 HA LEU 31 HA LEU 31 8.825 3.280 -30.224 150 HB2 LEU 31 2HB LEU 31 11.046 1.947 -29.144 151 HB3 LEU 31 3HB LEU 31 10.155 2.598 -27.770 152 HG LEU 31 HG LEU 31 9.044 0.763 -29.893 153 HD11 LEU 31 1HD1 LEU 31 10.049 0.330 -27.107 154 HD12 LEU 31 2HD1 LEU 31 10.394 -0.586 -28.574 155 HD13 LEU 31 3HD1 LEU 31 8.816 -0.724 -27.800 156 HD21 LEU 31 1HD2 LEU 31 7.172 1.908 -29.255 157 HD22 LEU 31 2HD2 LEU 31 7.811 2.288 -27.656 158 HD23 LEU 31 3HD2 LEU 31 7.209 0.666 -28.003 159 H THR 32 H THR 32 11.296 4.911 -28.252 160 HA THR 32 HA THR 32 9.555 6.063 -26.387 161 HB THR 32 HB THR 32 12.143 7.300 -27.332 162 HG1 THR 32 HG1 THR 32 13.202 5.847 -26.121 163 HG21 THR 32 1HG2 THR 32 10.756 8.667 -25.817 164 HG22 THR 32 2HG2 THR 32 12.270 8.166 -25.063 165 HG23 THR 32 3HG2 THR 32 10.764 7.349 -24.645 166 H GLU 33 H GLU 33 10.807 7.324 -29.460 167 HA GLU 33 HA GLU 33 9.705 9.883 -29.319 168 HB2 GLU 33 2HB GLU 33 11.286 8.637 -31.095 169 HB3 GLU 33 3HB GLU 33 9.764 8.552 -31.971 170 HG2 GLU 33 2HG GLU 33 9.613 10.835 -32.209 171 HG3 GLU 33 3HG GLU 33 10.652 11.154 -30.822 172 H PHE 34 H PHE 34 8.391 7.021 -30.995 173 HA PHE 34 HA PHE 34 5.973 8.120 -31.790 174 HB2 PHE 34 2HB PHE 34 6.902 5.338 -31.220 175 HB3 PHE 34 3HB PHE 34 5.184 5.614 -31.484 176 HD1 PHE 34 HD1 PHE 34 8.327 6.877 -33.058 177 HD2 PHE 34 HD2 PHE 34 4.525 5.040 -33.597 178 HE1 PHE 34 HE1 PHE 34 8.698 6.830 -35.489 179 HE2 PHE 34 HE2 PHE 34 4.891 4.989 -36.029 180 HZ PHE 34 HZ PHE 34 6.980 5.884 -36.979 181 H PHE 35 H PHE 35 6.783 6.469 -28.759 182 HA PHE 35 HA PHE 35 4.264 6.398 -27.602 183 HB2 PHE 35 2HB PHE 35 6.991 6.077 -26.727 184 HB3 PHE 35 3HB PHE 35 6.072 6.966 -25.516 185 HD1 PHE 35 HD1 PHE 35 3.634 5.913 -25.100 186 HD2 PHE 35 HD2 PHE 35 7.052 3.803 -26.509 187 HE1 PHE 35 HE1 PHE 35 2.662 3.803 -24.288 188 HE2 PHE 35 HE2 PHE 35 6.085 1.690 -25.701 189 HZ PHE 35 HZ PHE 35 3.887 1.688 -24.589 190 H SER 36 H SER 36 6.755 8.917 -27.205 191 HA SER 36 HA SER 36 5.260 10.658 -25.628 192 HB2 SER 36 2HB SER 36 7.656 10.899 -27.358 193 HB3 SER 36 3HB SER 36 6.821 12.403 -26.967 194 HG SER 36 HG SER 36 8.544 11.521 -25.474 195 H LYS 37 H LYS 37 5.260 10.150 -29.084 196 HA LYS 37 HA LYS 37 3.923 12.495 -29.871 197 HB2 LYS 37 2HB LYS 37 5.018 10.395 -31.193 198 HB3 LYS 37 3HB LYS 37 3.308 10.025 -31.373 199 HG2 LYS 37 2HG LYS 37 3.560 12.751 -31.956 200 HG3 LYS 37 3HG LYS 37 4.912 11.952 -32.762 201 HD2 LYS 37 2HD LYS 37 2.030 11.090 -32.986 202 HD3 LYS 37 3HD LYS 37 2.868 12.101 -34.165 203 HE2 LYS 37 2HE LYS 37 4.559 9.940 -33.824 204 HE3 LYS 37 3HE LYS 37 2.950 9.221 -33.782 205 HZ1 LYS 37 1HZ LYS 37 3.185 11.141 -35.872 206 HZ2 LYS 37 2HZ LYS 37 2.724 9.516 -35.956 207 HZ3 LYS 37 3HZ LYS 37 4.362 9.934 -36.020 208 H HIS 38 H HIS 38 2.750 9.400 -28.680 209 HA HIS 38 HA HIS 38 0.140 10.607 -28.208 210 HB2 HIS 38 2HB HIS 38 0.206 9.368 -30.479 211 HB3 HIS 38 3HB HIS 38 0.249 7.898 -29.510 212 HD1 HIS 38 HD1 HIS 38 -1.913 11.038 -29.622 213 HD2 HIS 38 HD2 HIS 38 -2.229 6.929 -29.091 214 HE1 HIS 38 HE1 HIS 38 -4.372 10.582 -29.351 215 H GLY 39 H GLY 39 -0.098 10.347 -26.086 216 HA2 GLY 39 2HA GLY 39 -0.703 8.939 -24.261 217 HA3 GLY 39 3HA GLY 39 0.255 7.651 -24.976 218 H THR 40 H THR 40 0.208 9.054 -22.271 219 HA THR 40 HA THR 40 3.049 9.827 -22.181 220 HB THR 40 HB THR 40 1.404 10.418 -19.812 221 HG1 THR 40 HG1 THR 40 -0.155 11.274 -20.973 222 HG21 THR 40 1HG2 THR 40 3.770 11.151 -20.208 223 HG22 THR 40 2HG2 THR 40 2.653 12.460 -19.823 224 HG23 THR 40 3HG2 THR 40 3.166 12.200 -21.490 225 H VAL 41 H VAL 41 4.307 8.226 -21.502 226 HA VAL 41 HA VAL 41 3.282 6.419 -19.410 227 HB VAL 41 HB VAL 41 5.050 4.817 -20.240 228 HG11 VAL 41 1HG1 VAL 41 2.645 4.609 -20.766 229 HG12 VAL 41 2HG1 VAL 41 2.909 5.553 -22.233 230 HG13 VAL 41 3HG1 VAL 41 3.683 3.979 -22.045 231 HG21 VAL 41 1HG2 VAL 41 6.124 5.137 -22.289 232 HG22 VAL 41 2HG2 VAL 41 5.041 6.447 -22.760 233 HG23 VAL 41 3HG2 VAL 41 6.247 6.710 -21.500 234 H GLN 42 H GLN 42 4.642 5.847 -17.699 235 HA GLN 42 HA GLN 42 6.542 7.875 -16.958 236 HB2 GLN 42 2HB GLN 42 4.854 6.474 -15.480 237 HB3 GLN 42 3HB GLN 42 6.212 5.360 -15.385 238 HG2 GLN 42 2HG GLN 42 7.464 7.661 -14.798 239 HG3 GLN 42 3HG GLN 42 5.853 8.022 -14.181 240 HE21 GLN 42 1HE2 GLN 42 8.236 7.731 -12.647 241 HE22 GLN 42 2HE2 GLN 42 8.000 6.396 -11.576 242 H ALA 43 H ALA 43 6.719 4.344 -17.415 243 HA ALA 43 HA ALA 43 9.350 4.571 -18.567 244 HB1 ALA 43 1HB ALA 43 10.301 4.527 -16.495 245 HB2 ALA 43 2HB ALA 43 8.963 3.630 -15.776 246 HB3 ALA 43 3HB ALA 43 10.147 2.793 -16.780 247 H VAL 44 H VAL 44 10.193 2.441 -19.265 248 HA VAL 44 HA VAL 44 8.226 0.293 -19.392 249 HB VAL 44 HB VAL 44 7.674 1.587 -21.363 250 HG11 VAL 44 1HG1 VAL 44 10.585 1.315 -22.108 251 HG12 VAL 44 2HG1 VAL 44 9.322 2.003 -23.130 252 HG13 VAL 44 3HG1 VAL 44 9.769 2.800 -21.621 253 HG21 VAL 44 1HG2 VAL 44 7.581 -0.844 -21.545 254 HG22 VAL 44 2HG2 VAL 44 8.032 -0.115 -23.086 255 HG23 VAL 44 3HG2 VAL 44 9.262 -0.878 -22.078 256 H TRP 45 H TRP 45 9.110 -1.728 -19.697 257 HA TRP 45 HA TRP 45 11.844 -2.086 -20.495 258 HB2 TRP 45 2HB TRP 45 11.119 -1.976 -17.640 259 HB3 TRP 45 3HB TRP 45 12.068 -3.385 -18.107 260 HD1 TRP 45 HD1 TRP 45 14.276 -2.462 -19.869 261 HE1 TRP 45 HE1 TRP 45 15.986 -0.656 -19.204 262 HE3 TRP 45 HE3 TRP 45 11.596 -0.116 -16.201 263 HZ2 TRP 45 HZ2 TRP 45 16.174 1.479 -17.367 264 HZ3 TRP 45 HZ3 TRP 45 12.613 1.799 -15.039 265 HH2 TRP 45 HH2 TRP 45 14.855 2.578 -15.611 266 H ARG 46 H ARG 46 12.491 -4.472 -20.153 267 HA ARG 46 HA ARG 46 10.340 -6.364 -19.945 268 HB2 ARG 46 2HB ARG 46 10.573 -7.253 -22.240 269 HB3 ARG 46 3HB ARG 46 9.934 -5.615 -22.215 270 HG2 ARG 46 2HG ARG 46 12.865 -6.016 -22.547 271 HG3 ARG 46 3HG ARG 46 11.792 -6.307 -23.917 272 HD2 ARG 46 2HD ARG 46 11.021 -3.865 -22.688 273 HD3 ARG 46 3HD ARG 46 12.769 -3.834 -22.920 274 HE ARG 46 HE ARG 46 11.288 -4.699 -25.233 275 HH11 ARG 46 1HH1 ARG 46 12.584 -1.973 -23.498 276 HH12 ARG 46 2HH1 ARG 46 12.645 -0.948 -24.893 277 HH21 ARG 46 1HH2 ARG 46 11.363 -3.358 -27.077 278 HH22 ARG 46 2HH2 ARG 46 11.949 -1.736 -26.928 279 H ARG 47 H ARG 47 11.061 -8.460 -19.659 280 HA ARG 47 HA ARG 47 13.911 -9.010 -19.988 281 HB2 ARG 47 2HB ARG 47 14.143 -9.856 -17.716 282 HB3 ARG 47 3HB ARG 47 13.667 -8.163 -17.692 283 HG2 ARG 47 2HG ARG 47 11.347 -9.861 -17.649 284 HG3 ARG 47 3HG ARG 47 12.460 -10.285 -16.347 285 HD2 ARG 47 2HD ARG 47 12.529 -7.629 -16.104 286 HD3 ARG 47 3HD ARG 47 10.920 -7.795 -16.806 287 HE ARG 47 HE ARG 47 11.071 -9.627 -14.739 288 HH11 ARG 47 1HH1 ARG 47 11.265 -6.173 -15.127 289 HH12 ARG 47 2HH1 ARG 47 10.633 -5.830 -13.551 290 HH21 ARG 47 1HH2 ARG 47 10.238 -9.188 -12.662 291 HH22 ARG 47 2HH2 ARG 47 10.050 -7.545 -12.149 292 H TYR 48 H TYR 48 14.427 -11.307 -19.780 293 HA TYR 48 HA TYR 48 12.154 -13.132 -19.958 294 HB2 TYR 48 2HB TYR 48 13.266 -14.200 -21.996 295 HB3 TYR 48 3HB TYR 48 12.427 -12.675 -22.259 296 HD1 TYR 48 HD1 TYR 48 15.634 -14.383 -22.298 297 HD2 TYR 48 HD2 TYR 48 13.718 -10.596 -22.608 298 HE1 TYR 48 HE1 TYR 48 17.680 -13.435 -23.280 299 HE2 TYR 48 HE2 TYR 48 15.759 -9.638 -23.593 300 HH TYR 48 HH TYR 48 18.318 -10.247 -23.476 301 H PHE 49 H PHE 49 12.533 -14.802 -18.677 302 HA PHE 49 HA PHE 49 15.220 -15.338 -17.735 303 HB2 PHE 49 2HB PHE 49 12.518 -15.840 -16.799 304 HB3 PHE 49 3HB PHE 49 13.521 -17.282 -16.675 305 HD1 PHE 49 HD1 PHE 49 12.523 -14.350 -15.056 306 HD2 PHE 49 HD2 PHE 49 15.909 -16.863 -15.633 307 HE1 PHE 49 HE1 PHE 49 13.527 -13.465 -12.991 308 HE2 PHE 49 HE2 PHE 49 16.918 -15.983 -13.569 309 HZ PHE 49 HZ PHE 49 15.727 -14.282 -12.245 310 H ALA 50 H ALA 50 16.533 -16.804 -18.584 311 HA ALA 50 HA ALA 50 15.561 -18.601 -20.638 312 HB1 ALA 50 1HB ALA 50 17.839 -17.226 -20.465 313 HB2 ALA 50 2HB ALA 50 18.377 -18.738 -19.734 314 HB3 ALA 50 3HB ALA 50 17.705 -18.737 -21.365 315 H GLY 51 H GLY 51 16.598 -18.748 -17.311 316 HA2 GLY 51 2HA GLY 51 16.128 -20.473 -15.806 317 HA3 GLY 51 3HA GLY 51 15.686 -21.503 -17.159 318 H LYS 52 H LYS 52 17.971 -20.933 -14.805 319 HA LYS 52 HA LYS 52 19.854 -22.746 -16.136 320 HB2 LYS 52 2HB LYS 52 20.477 -20.165 -16.047 321 HB3 LYS 52 3HB LYS 52 20.972 -20.584 -14.413 322 HG2 LYS 52 2HG LYS 52 22.890 -20.758 -15.781 323 HG3 LYS 52 3HG LYS 52 22.379 -22.406 -15.411 324 HD2 LYS 52 2HD LYS 52 21.858 -22.862 -17.560 325 HD3 LYS 52 3HD LYS 52 21.223 -21.242 -17.858 326 HE2 LYS 52 2HE LYS 52 23.184 -21.567 -19.208 327 HE3 LYS 52 3HE LYS 52 23.556 -20.401 -17.939 328 HZ1 LYS 52 1HZ LYS 52 24.556 -23.118 -18.320 329 HZ2 LYS 52 2HZ LYS 52 24.323 -22.601 -16.727 330 HZ3 LYS 52 3HZ LYS 52 25.357 -21.740 -17.752 331 H LYS 53 H LYS 53 18.113 -23.799 -14.471 332 HA LYS 53 HA LYS 53 19.746 -24.578 -12.204 333 HB2 LYS 53 2HB LYS 53 17.920 -24.228 -10.574 334 HB3 LYS 53 3HB LYS 53 18.508 -22.719 -11.260 335 HG2 LYS 53 2HG LYS 53 16.291 -23.820 -12.772 336 HG3 LYS 53 3HG LYS 53 15.878 -23.528 -11.081 337 HD2 LYS 53 2HD LYS 53 16.425 -21.238 -11.239 338 HD3 LYS 53 3HD LYS 53 17.263 -21.465 -12.776 339 HE2 LYS 53 2HE LYS 53 15.273 -21.704 -13.963 340 HE3 LYS 53 3HE LYS 53 14.343 -22.083 -12.514 341 HZ1 LYS 53 1HZ LYS 53 15.324 -19.454 -13.434 342 HZ2 LYS 53 2HZ LYS 53 14.909 -19.710 -11.815 343 HZ3 LYS 53 3HZ LYS 53 13.747 -19.912 -13.028 344 H ASP 54 H ASP 54 18.417 -26.294 -10.874 345 HA ASP 54 HA ASP 54 17.390 -28.194 -12.851 346 HB2 ASP 54 2HB ASP 54 19.214 -28.501 -10.809 347 HB3 ASP 54 3HB ASP 54 17.741 -29.169 -10.111 348 H ALA 55 H ALA 55 15.818 -25.943 -11.734 349 HA ALA 55 HA ALA 55 13.677 -27.494 -10.430 350 HB1 ALA 55 1HB ALA 55 14.864 -24.952 -9.760 351 HB2 ALA 55 2HB ALA 55 13.126 -24.796 -10.013 352 HB3 ALA 55 3HB ALA 55 13.744 -25.950 -8.832 353 HA PRO 56 HA PRO 56 10.928 -26.636 -13.740 354 HB2 PRO 56 2HB PRO 56 8.585 -26.173 -12.450 355 HB3 PRO 56 3HB PRO 56 9.314 -27.779 -12.570 356 HG2 PRO 56 2HG PRO 56 9.393 -25.828 -10.301 357 HG3 PRO 56 3HG PRO 56 9.143 -27.583 -10.259 358 HD2 PRO 56 2HD PRO 56 11.530 -26.438 -9.691 359 HD3 PRO 56 3HD PRO 56 11.395 -28.035 -10.454 360 HA PRO 57 HA PRO 57 10.408 -22.340 -14.518 361 HB2 PRO 57 2HB PRO 57 8.091 -22.260 -15.930 362 HB3 PRO 57 3HB PRO 57 9.599 -22.901 -16.594 363 HG2 PRO 57 2HG PRO 57 7.265 -24.372 -15.431 364 HG3 PRO 57 3HG PRO 57 8.213 -24.746 -16.883 365 HD2 PRO 57 2HD PRO 57 8.599 -26.018 -14.524 366 HD3 PRO 57 3HD PRO 57 9.918 -25.716 -15.673 367 H GLU 58 H GLU 58 10.061 -21.222 -12.651 368 HA GLU 58 HA GLU 58 7.367 -21.224 -11.494 369 HB2 GLU 58 2HB GLU 58 9.747 -21.451 -10.245 370 HB3 GLU 58 3HB GLU 58 9.548 -19.706 -10.185 371 HG2 GLU 58 2HG GLU 58 8.648 -20.517 -8.180 372 HG3 GLU 58 3HG GLU 58 7.263 -20.128 -9.198 373 H SER 59 H SER 59 9.859 -19.030 -12.722 374 HA SER 59 HA SER 59 8.173 -16.709 -12.418 375 HB2 SER 59 2HB SER 59 10.274 -16.006 -14.107 376 HB3 SER 59 3HB SER 59 10.224 -15.793 -12.357 377 HG SER 59 HG SER 59 11.347 -17.660 -12.091 378 H ARG 60 H ARG 60 7.799 -15.253 -14.325 379 HA ARG 60 HA ARG 60 6.810 -16.868 -16.569 380 HB2 ARG 60 2HB ARG 60 6.014 -14.152 -15.524 381 HB3 ARG 60 3HB ARG 60 5.446 -14.784 -17.064 382 HG2 ARG 60 2HG ARG 60 5.008 -16.094 -14.388 383 HG3 ARG 60 3HG ARG 60 3.827 -15.104 -15.247 384 HD2 ARG 60 2HD ARG 60 3.166 -16.880 -16.402 385 HD3 ARG 60 3HD ARG 60 4.797 -17.082 -17.040 386 HE ARG 60 HE ARG 60 5.108 -18.819 -15.586 387 HH11 ARG 60 1HH1 ARG 60 2.350 -16.960 -14.558 388 HH12 ARG 60 2HH1 ARG 60 1.887 -18.085 -13.325 389 HH21 ARG 60 1HH2 ARG 60 4.508 -20.309 -13.966 390 HH22 ARG 60 2HH2 ARG 60 3.116 -19.989 -12.989 391 H THR 61 H THR 61 8.134 -16.923 -18.256 392 HA THR 61 HA THR 61 9.658 -14.494 -18.934 393 HB THR 61 HB THR 61 11.212 -16.228 -18.468 394 HG1 THR 61 HG1 THR 61 11.615 -15.065 -20.430 395 HG21 THR 61 1HG2 THR 61 9.164 -17.925 -19.634 396 HG22 THR 61 2HG2 THR 61 10.469 -18.337 -18.522 397 HG23 THR 61 3HG2 THR 61 10.770 -18.297 -20.259 398 H LYS 62 H LYS 62 8.553 -13.416 -20.450 399 HA LYS 62 HA LYS 62 7.857 -14.850 -22.907 400 HB2 LYS 62 2HB LYS 62 5.753 -13.355 -22.981 401 HB3 LYS 62 3HB LYS 62 5.728 -14.782 -21.954 402 HG2 LYS 62 2HG LYS 62 6.693 -12.410 -20.574 403 HG3 LYS 62 3HG LYS 62 5.052 -12.233 -21.198 404 HD2 LYS 62 2HD LYS 62 5.754 -14.748 -19.771 405 HD3 LYS 62 3HD LYS 62 5.527 -13.281 -18.815 406 HE2 LYS 62 2HE LYS 62 3.397 -14.175 -18.845 407 HE3 LYS 62 3HE LYS 62 3.337 -13.039 -20.192 408 HZ1 LYS 62 1HZ LYS 62 3.119 -14.684 -21.676 409 HZ2 LYS 62 2HZ LYS 62 2.609 -15.608 -20.354 410 HZ3 LYS 62 3HZ LYS 62 4.212 -15.707 -20.887 411 HA PRO 63 HA PRO 63 9.632 -11.418 -24.988 412 HB2 PRO 63 2HB PRO 63 8.102 -11.270 -27.226 413 HB3 PRO 63 3HB PRO 63 9.279 -12.560 -26.950 414 HG2 PRO 63 2HG PRO 63 6.312 -12.586 -26.554 415 HG3 PRO 63 3HG PRO 63 7.356 -13.827 -27.271 416 HD2 PRO 63 2HD PRO 63 6.445 -13.982 -24.726 417 HD3 PRO 63 3HD PRO 63 8.022 -14.632 -25.217 418 H SER 64 H SER 64 6.315 -11.341 -24.056 419 HA SER 64 HA SER 64 5.440 -8.889 -24.980 420 HB2 SER 64 2HB SER 64 4.823 -10.538 -22.570 421 HB3 SER 64 3HB SER 64 4.211 -8.885 -22.624 422 HG SER 64 HG SER 64 2.848 -9.433 -24.144 423 H VAL 65 H VAL 65 5.407 -6.789 -24.093 424 HA VAL 65 HA VAL 65 7.745 -6.198 -22.410 425 HB VAL 65 HB VAL 65 7.566 -3.887 -23.285 426 HG11 VAL 65 1HG1 VAL 65 8.981 -5.672 -24.346 427 HG12 VAL 65 2HG1 VAL 65 7.693 -5.884 -25.535 428 HG13 VAL 65 3HG1 VAL 65 8.533 -4.338 -25.408 429 HG21 VAL 65 1HG2 VAL 65 5.010 -4.662 -24.024 430 HG22 VAL 65 2HG2 VAL 65 5.816 -3.154 -24.457 431 HG23 VAL 65 3HG2 VAL 65 5.881 -4.535 -25.552 432 H PHE 66 H PHE 66 7.581 -4.758 -20.673 433 HA PHE 66 HA PHE 66 4.849 -4.449 -19.628 434 HB2 PHE 66 2HB PHE 66 7.408 -4.331 -18.030 435 HB3 PHE 66 3HB PHE 66 5.765 -4.500 -17.420 436 HD1 PHE 66 HD1 PHE 66 8.580 -6.229 -17.483 437 HD2 PHE 66 HD2 PHE 66 4.624 -6.607 -19.007 438 HE1 PHE 66 HE1 PHE 66 8.828 -8.677 -17.510 439 HE2 PHE 66 HE2 PHE 66 4.865 -9.056 -19.036 440 HZ PHE 66 HZ PHE 66 6.969 -10.093 -18.286 441 H VAL 67 H VAL 67 4.041 -2.478 -19.252 442 HA VAL 67 HA VAL 67 5.883 -0.180 -19.308 443 HB VAL 67 HB VAL 67 4.189 1.125 -20.515 444 HG11 VAL 67 1HG1 VAL 67 5.499 -1.260 -21.651 445 HG12 VAL 67 2HG1 VAL 67 4.258 -0.506 -22.653 446 HG13 VAL 67 3HG1 VAL 67 5.643 0.438 -22.101 447 HG21 VAL 67 1HG2 VAL 67 2.079 0.434 -20.559 448 HG22 VAL 67 2HG2 VAL 67 2.561 -0.880 -21.632 449 HG23 VAL 67 3HG2 VAL 67 2.540 -1.130 -19.886 450 H VAL 68 H VAL 68 5.420 1.511 -17.939 451 HA VAL 68 HA VAL 68 3.149 1.113 -16.101 452 HB VAL 68 HB VAL 68 5.876 2.215 -15.406 453 HG11 VAL 68 1HG1 VAL 68 3.287 2.372 -14.089 454 HG12 VAL 68 2HG1 VAL 68 4.535 1.662 -13.064 455 HG13 VAL 68 3HG1 VAL 68 4.776 3.261 -13.769 456 HG21 VAL 68 1HG2 VAL 68 5.992 -0.168 -15.691 457 HG22 VAL 68 2HG2 VAL 68 6.023 0.193 -13.965 458 HG23 VAL 68 3HG2 VAL 68 4.541 -0.400 -14.716 459 H PHE 69 H PHE 69 1.688 2.648 -16.428 460 HA PHE 69 HA PHE 69 2.376 5.174 -17.621 461 HB2 PHE 69 2HB PHE 69 -0.109 3.740 -16.904 462 HB3 PHE 69 3HB PHE 69 -0.205 5.497 -16.868 463 HD1 PHE 69 HD1 PHE 69 0.688 2.622 -19.025 464 HD2 PHE 69 HD2 PHE 69 -0.419 6.728 -18.842 465 HE1 PHE 69 HE1 PHE 69 0.402 2.651 -21.469 466 HE2 PHE 69 HE2 PHE 69 -0.708 6.763 -21.285 467 HZ PHE 69 HZ PHE 69 -0.299 4.722 -22.602 468 H ASN 70 H ASN 70 2.295 7.202 -16.687 469 HA ASN 70 HA ASN 70 2.772 7.257 -13.832 470 HB2 ASN 70 2HB ASN 70 4.224 8.563 -15.301 471 HB3 ASN 70 3HB ASN 70 2.835 9.466 -15.899 472 HD21 ASN 70 1HD2 ASN 70 1.922 11.051 -14.635 473 HD22 ASN 70 2HD2 ASN 70 2.678 11.658 -13.205 474 H SER 71 H SER 71 0.479 8.717 -16.119 475 HA SER 71 HA SER 71 -1.078 9.917 -14.018 476 HB2 SER 71 2HB SER 71 -1.687 9.575 -16.965 477 HB3 SER 71 3HB SER 71 -2.610 10.571 -15.841 478 HG SER 71 HG SER 71 -0.526 11.299 -17.232 479 H SER 72 H SER 72 -2.723 9.049 -12.937 480 HA SER 72 HA SER 72 -3.348 6.326 -13.080 481 HB2 SER 72 2HB SER 72 -5.240 8.387 -11.960 482 HB3 SER 72 3HB SER 72 -4.959 6.737 -11.404 483 HG SER 72 HG SER 72 -3.743 7.798 -10.015 484 H GLU 73 H GLU 73 -5.189 9.144 -14.235 485 HA GLU 73 HA GLU 73 -7.390 7.796 -15.263 486 HB2 GLU 73 2HB GLU 73 -6.393 10.435 -15.303 487 HB3 GLU 73 3HB GLU 73 -6.691 9.997 -16.979 488 HG2 GLU 73 2HG GLU 73 -8.947 9.790 -16.674 489 HG3 GLU 73 3HG GLU 73 -8.792 9.409 -14.960 490 H GLU 74 H GLU 74 -4.531 8.914 -17.085 491 HA GLU 74 HA GLU 74 -5.182 7.657 -19.494 492 HB2 GLU 74 2HB GLU 74 -3.237 9.358 -18.738 493 HB3 GLU 74 3HB GLU 74 -2.309 7.867 -18.799 494 HG2 GLU 74 2HG GLU 74 -2.062 8.228 -20.967 495 HG3 GLU 74 3HG GLU 74 -3.773 7.842 -21.147 496 H ALA 75 H ALA 75 -3.570 6.451 -16.629 497 HA ALA 75 HA ALA 75 -2.474 4.098 -17.695 498 HB1 ALA 75 1HB ALA 75 -3.468 4.630 -14.897 499 HB2 ALA 75 2HB ALA 75 -2.431 3.287 -15.380 500 HB3 ALA 75 3HB ALA 75 -1.843 4.945 -15.507 501 H GLU 76 H GLU 76 -5.574 4.603 -16.007 502 HA GLU 76 HA GLU 76 -6.500 1.962 -16.311 503 HB2 GLU 76 2HB GLU 76 -7.796 4.588 -15.699 504 HB3 GLU 76 3HB GLU 76 -8.809 3.197 -16.059 505 HG2 GLU 76 2HG GLU 76 -6.923 2.290 -14.208 506 HG3 GLU 76 3HG GLU 76 -7.433 3.877 -13.635 507 H ALA 77 H ALA 77 -6.948 4.863 -18.286 508 HA ALA 77 HA ALA 77 -8.808 3.885 -20.107 509 HB1 ALA 77 1HB ALA 77 -7.630 5.545 -21.706 510 HB2 ALA 77 2HB ALA 77 -8.423 6.164 -20.257 511 HB3 ALA 77 3HB ALA 77 -6.670 5.970 -20.288 512 H PHE 78 H PHE 78 -5.253 3.865 -20.362 513 HA PHE 78 HA PHE 78 -5.151 2.456 -22.799 514 HB2 PHE 78 2HB PHE 78 -3.255 3.333 -20.751 515 HB3 PHE 78 3HB PHE 78 -2.790 1.818 -21.517 516 HD1 PHE 78 HD1 PHE 78 -1.720 1.831 -23.572 517 HD2 PHE 78 HD2 PHE 78 -3.844 5.294 -22.300 518 HE1 PHE 78 HE1 PHE 78 -0.838 3.077 -25.502 519 HE2 PHE 78 HE2 PHE 78 -2.967 6.544 -24.229 520 HZ PHE 78 HZ PHE 78 -1.463 5.436 -25.833 521 H GLN 79 H GLN 79 -5.134 1.387 -19.437 522 HA GLN 79 HA GLN 79 -4.509 -1.301 -19.833 523 HB2 GLN 79 2HB GLN 79 -5.063 0.238 -17.661 524 HB3 GLN 79 3HB GLN 79 -6.520 -0.742 -17.750 525 HG2 GLN 79 2HG GLN 79 -5.193 -2.768 -17.662 526 HG3 GLN 79 3HG GLN 79 -3.710 -1.816 -17.648 527 HE21 GLN 79 1HE2 GLN 79 -3.933 0.025 -15.865 528 HE22 GLN 79 2HE2 GLN 79 -4.342 -0.583 -14.301 529 H LYS 80 H LYS 80 -7.646 0.342 -19.883 530 HA LYS 80 HA LYS 80 -9.269 -1.916 -20.180 531 HB2 LYS 80 2HB LYS 80 -10.018 0.444 -19.691 532 HB3 LYS 80 3HB LYS 80 -9.794 0.797 -21.399 533 HG2 LYS 80 2HG LYS 80 -11.425 -1.020 -21.912 534 HG3 LYS 80 3HG LYS 80 -11.734 -1.152 -20.179 535 HD2 LYS 80 2HD LYS 80 -13.173 0.538 -20.294 536 HD3 LYS 80 3HD LYS 80 -11.905 1.593 -20.923 537 HE2 LYS 80 2HE LYS 80 -12.398 0.459 -23.186 538 HE3 LYS 80 3HE LYS 80 -13.897 -0.072 -22.426 539 HZ1 LYS 80 1HZ LYS 80 -14.655 2.088 -22.221 540 HZ2 LYS 80 2HZ LYS 80 -13.885 2.122 -23.727 541 HZ3 LYS 80 3HZ LYS 80 -13.113 2.771 -22.368 542 H ALA 81 H ALA 81 -8.476 0.381 -22.791 543 HA ALA 81 HA ALA 81 -8.336 -1.913 -24.636 544 HB1 ALA 81 1HB ALA 81 -10.219 -1.048 -25.510 545 HB2 ALA 81 2HB ALA 81 -9.950 0.540 -24.790 546 HB3 ALA 81 3HB ALA 81 -9.113 0.092 -26.277 547 HA PRO 82 HA PRO 82 -4.451 -0.438 -26.045 548 HB2 PRO 82 2HB PRO 82 -4.568 -0.936 -28.711 549 HB3 PRO 82 3HB PRO 82 -4.411 -2.215 -27.501 550 HG2 PRO 82 2HG PRO 82 -6.856 -1.258 -28.940 551 HG3 PRO 82 3HG PRO 82 -6.343 -2.919 -28.587 552 HD2 PRO 82 2HD PRO 82 -8.221 -1.631 -27.122 553 HD3 PRO 82 3HD PRO 82 -7.117 -2.830 -26.418 554 HA PRO 83 HA PRO 83 -4.603 3.660 -27.631 555 HB2 PRO 83 2HB PRO 83 -2.341 3.811 -29.124 556 HB3 PRO 83 3HB PRO 83 -2.324 3.759 -27.358 557 HG2 PRO 83 2HG PRO 83 -1.861 1.549 -29.323 558 HG3 PRO 83 3HG PRO 83 -0.978 1.922 -27.831 559 HD2 PRO 83 2HD PRO 83 -2.851 -0.029 -27.966 560 HD3 PRO 83 3HD PRO 83 -2.564 0.918 -26.493 561 H MET 84 H MET 84 -4.100 1.106 -30.005 562 HA MET 84 HA MET 84 -4.801 0.843 -32.152 563 HB2 MET 84 2HB MET 84 -6.873 2.331 -30.810 564 HB3 MET 84 3HB MET 84 -6.778 2.814 -32.498 565 HG2 MET 84 2HG MET 84 -6.627 -0.039 -32.290 566 HG3 MET 84 3HG MET 84 -8.038 0.560 -31.420 567 HE1 MET 84 1HE MET 84 -9.832 0.018 -32.323 568 HE2 MET 84 2HE MET 84 -10.562 0.732 -33.760 569 HE3 MET 84 3HE MET 84 -9.739 -0.824 -33.871 570 H TYR 85 H TYR 85 -2.986 1.530 -33.234 571 HA TYR 85 HA TYR 85 -3.012 4.331 -34.152 572 HB2 TYR 85 2HB TYR 85 -0.988 2.992 -32.765 573 HB3 TYR 85 3HB TYR 85 -0.436 3.030 -34.436 574 HD1 TYR 85 HD1 TYR 85 0.267 4.583 -31.632 575 HD2 TYR 85 HD2 TYR 85 -1.453 5.600 -35.389 576 HE1 TYR 85 HE1 TYR 85 0.999 6.912 -31.330 577 HE2 TYR 85 HE2 TYR 85 -0.725 7.931 -35.097 578 HH TYR 85 HH TYR 85 -0.176 9.446 -33.056 579 H ASP 86 H ASP 86 -3.277 4.627 -36.259 580 HA ASP 86 HA ASP 86 -3.823 2.621 -38.078 581 HB2 ASP 86 2HB ASP 86 -2.919 5.469 -38.438 582 HB3 ASP 86 3HB ASP 86 -3.228 4.428 -39.825 583 H ASP 87 H ASP 87 -0.751 4.297 -37.505 584 HA ASP 87 HA ASP 87 0.770 3.223 -39.544 585 HB2 ASP 87 2HB ASP 87 1.282 4.844 -37.409 586 HB3 ASP 87 3HB ASP 87 2.160 3.387 -36.951 587 H VAL 88 H VAL 88 0.705 1.977 -36.198 588 HA VAL 88 HA VAL 88 1.024 -0.736 -37.292 589 HB VAL 88 HB VAL 88 2.512 0.360 -34.901 590 HG11 VAL 88 1HG1 VAL 88 1.939 -2.351 -35.826 591 HG12 VAL 88 2HG1 VAL 88 3.655 -2.039 -35.558 592 HG13 VAL 88 3HG1 VAL 88 2.497 -1.782 -34.253 593 HG21 VAL 88 1HG2 VAL 88 4.436 -0.473 -36.567 594 HG22 VAL 88 2HG2 VAL 88 3.221 0.008 -37.751 595 HG23 VAL 88 3HG2 VAL 88 3.812 1.177 -36.570 596 H GLN 89 H GLN 89 -0.322 -2.205 -36.452 597 HA GLN 89 HA GLN 89 -2.393 -1.432 -34.692 598 HB2 GLN 89 2HB GLN 89 -1.690 -3.755 -36.261 599 HB3 GLN 89 3HB GLN 89 -2.286 -4.233 -34.678 600 HG2 GLN 89 2HG GLN 89 -3.814 -2.197 -36.208 601 HG3 GLN 89 3HG GLN 89 -3.907 -3.882 -36.716 602 HE21 GLN 89 1HE2 GLN 89 -4.360 -1.722 -33.974 603 HE22 GLN 89 2HE2 GLN 89 -5.551 -2.686 -33.177 604 H LEU 90 H LEU 90 -2.317 -1.207 -32.566 605 HA LEU 90 HA LEU 90 -0.177 -2.521 -31.063 606 HB2 LEU 90 2HB LEU 90 -1.530 0.001 -30.895 607 HB3 LEU 90 3HB LEU 90 -1.695 -0.865 -29.369 608 HG LEU 90 HG LEU 90 0.217 0.670 -29.368 609 HD11 LEU 90 1HD1 LEU 90 1.529 -0.724 -28.157 610 HD12 LEU 90 2HD1 LEU 90 1.514 -1.990 -29.384 611 HD13 LEU 90 3HD1 LEU 90 0.124 -1.778 -28.319 612 HD21 LEU 90 1HD2 LEU 90 1.423 -1.116 -31.472 613 HD22 LEU 90 2HD2 LEU 90 2.106 0.358 -30.785 614 HD23 LEU 90 3HD2 LEU 90 0.680 0.445 -31.820 615 H THR 91 H THR 91 -0.535 -3.966 -29.446 616 HA THR 91 HA THR 91 -3.334 -4.695 -28.886 617 HB THR 91 HB THR 91 -1.222 -6.803 -28.798 618 HG1 THR 91 HG1 THR 91 -1.692 -7.210 -31.057 619 HG21 THR 91 1HG2 THR 91 -3.553 -7.201 -28.024 620 HG22 THR 91 2HG2 THR 91 -3.068 -8.254 -29.354 621 HG23 THR 91 3HG2 THR 91 -4.114 -6.868 -29.662 622 H ALA 92 H ALA 92 -3.629 -3.943 -26.869 623 HA ALA 92 HA ALA 92 -1.581 -4.564 -24.844 624 HB1 ALA 92 1HB ALA 92 -1.837 -2.516 -24.015 625 HB2 ALA 92 2HB ALA 92 -2.797 -2.140 -25.447 626 HB3 ALA 92 3HB ALA 92 -3.592 -2.681 -23.969 627 H GLU 93 H GLU 93 -2.148 -5.588 -22.954 628 HA GLU 93 HA GLU 93 -4.878 -6.695 -22.873 629 HB2 GLU 93 2HB GLU 93 -2.209 -7.892 -22.317 630 HB3 GLU 93 3HB GLU 93 -3.568 -8.438 -21.344 631 HG2 GLU 93 2HG GLU 93 -3.510 -8.465 -24.351 632 HG3 GLU 93 3HG GLU 93 -3.118 -9.845 -23.328 633 H MET 94 H MET 94 -5.583 -7.333 -20.626 634 HA MET 94 HA MET 94 -4.933 -5.137 -18.794 635 HB2 MET 94 2HB MET 94 -7.332 -5.664 -19.589 636 HB3 MET 94 3HB MET 94 -7.250 -7.028 -18.482 637 HG2 MET 94 2HG MET 94 -7.480 -5.738 -16.669 638 HG3 MET 94 3HG MET 94 -6.444 -4.468 -17.315 639 HE1 MET 94 1HE MET 94 -9.344 -2.598 -16.198 640 HE2 MET 94 2HE MET 94 -10.207 -4.129 -16.047 641 HE3 MET 94 3HE MET 94 -8.521 -4.013 -15.540 642 H LYS 95 H LYS 95 -4.733 -5.577 -16.511 643 HA LYS 95 HA LYS 95 -3.001 -7.744 -15.961 644 HB2 LYS 95 2HB LYS 95 -3.201 -6.993 -13.593 645 HB3 LYS 95 3HB LYS 95 -2.785 -5.700 -14.710 646 HG2 LYS 95 2HG LYS 95 -5.100 -4.937 -14.702 647 HG3 LYS 95 3HG LYS 95 -5.531 -6.244 -13.597 648 HD2 LYS 95 2HD LYS 95 -4.052 -5.330 -11.901 649 HD3 LYS 95 3HD LYS 95 -3.528 -4.062 -13.012 650 HE2 LYS 95 2HE LYS 95 -6.207 -3.714 -13.087 651 HE3 LYS 95 3HE LYS 95 -6.009 -4.308 -11.439 652 HZ1 LYS 95 1HZ LYS 95 -5.421 -2.260 -10.886 653 HZ2 LYS 95 2HZ LYS 95 -5.401 -1.751 -12.499 654 HZ3 LYS 95 3HZ LYS 95 -4.017 -2.439 -11.813 655 H THR 96 H THR 96 -6.433 -7.202 -15.397 656 HA THR 96 HA THR 96 -6.926 -9.378 -13.698 657 HB THR 96 HB THR 96 -9.019 -8.623 -15.676 658 HG1 THR 96 HG1 THR 96 -9.360 -6.649 -14.538 659 HG21 THR 96 1HG2 THR 96 -8.941 -9.953 -13.238 660 HG22 THR 96 2HG2 THR 96 -10.384 -9.381 -14.076 661 HG23 THR 96 3HG2 THR 96 -9.618 -8.373 -12.849 662 H THR 97 H THR 97 -7.097 -9.123 -17.237 663 HA THR 97 HA THR 97 -8.028 -11.686 -17.793 664 HB THR 97 HB THR 97 -6.074 -10.102 -19.472 665 HG1 THR 97 HG1 THR 97 -7.700 -8.825 -19.903 666 HG21 THR 97 1HG2 THR 97 -6.176 -12.191 -20.474 667 HG22 THR 97 2HG2 THR 97 -7.475 -11.327 -21.296 668 HG23 THR 97 3HG2 THR 97 -7.852 -12.453 -19.993 669 H TYR 98 H TYR 98 -4.660 -10.538 -17.618 670 HA TYR 98 HA TYR 98 -3.420 -12.980 -18.152 671 HB2 TYR 98 2HB TYR 98 -2.622 -10.396 -16.985 672 HB3 TYR 98 3HB TYR 98 -1.642 -11.765 -16.473 673 HD1 TYR 98 HD1 TYR 98 0.380 -11.536 -17.601 674 HD2 TYR 98 HD2 TYR 98 -3.256 -11.086 -19.764 675 HE1 TYR 98 HE1 TYR 98 1.653 -11.414 -19.702 676 HE2 TYR 98 HE2 TYR 98 -1.993 -10.964 -21.872 677 HH TYR 98 HH TYR 98 0.685 -11.990 -22.475 678 H LEU 99 H LEU 99 -4.283 -11.510 -15.032 679 HA LEU 99 HA LEU 99 -3.263 -13.463 -13.346 680 HB2 LEU 99 2HB LEU 99 -4.207 -11.252 -12.677 681 HB3 LEU 99 3HB LEU 99 -5.818 -11.925 -12.920 682 HG LEU 99 HG LEU 99 -4.981 -13.710 -11.177 683 HD11 LEU 99 1HD1 LEU 99 -2.715 -12.239 -11.279 684 HD12 LEU 99 2HD1 LEU 99 -3.209 -13.207 -9.891 685 HD13 LEU 99 3HD1 LEU 99 -3.544 -11.476 -9.922 686 HD21 LEU 99 1HD2 LEU 99 -5.592 -11.042 -10.002 687 HD22 LEU 99 2HD2 LEU 99 -6.255 -12.628 -9.608 688 HD23 LEU 99 3HD2 LEU 99 -6.773 -11.794 -11.073 689 H GLU 100 H GLU 100 -6.414 -13.309 -14.954 690 HA GLU 100 HA GLU 100 -7.489 -15.633 -13.759 691 HB2 GLU 100 2HB GLU 100 -8.479 -13.664 -15.368 692 HB3 GLU 100 3HB GLU 100 -8.394 -15.014 -16.491 693 HG2 GLU 100 2HG GLU 100 -9.928 -16.270 -15.309 694 HG3 GLU 100 3HG GLU 100 -9.657 -15.380 -13.812 695 H ARG 101 H ARG 101 -5.637 -15.090 -16.713 696 HA ARG 101 HA ARG 101 -5.897 -17.636 -17.841 697 HB2 ARG 101 2HB ARG 101 -4.274 -15.284 -18.263 698 HB3 ARG 101 3HB ARG 101 -3.312 -16.742 -18.465 699 HG2 ARG 101 2HG ARG 101 -4.127 -16.947 -20.509 700 HG3 ARG 101 3HG ARG 101 -5.730 -17.202 -19.816 701 HD2 ARG 101 2HD ARG 101 -6.157 -15.398 -21.153 702 HD3 ARG 101 3HD ARG 101 -5.709 -14.574 -19.661 703 HE ARG 101 HE ARG 101 -3.935 -13.683 -20.773 704 HH11 ARG 101 1HH1 ARG 101 -4.918 -16.588 -22.421 705 HH12 ARG 101 2HH1 ARG 101 -3.779 -16.397 -23.712 706 HH21 ARG 101 1HH2 ARG 101 -2.431 -13.420 -22.467 707 HH22 ARG 101 2HH2 ARG 101 -2.364 -14.595 -23.737 708 H LYS 102 H LYS 102 -3.176 -16.358 -15.916 709 HA LYS 102 HA LYS 102 -1.799 -18.778 -15.667 710 HB2 LYS 102 2HB LYS 102 -0.675 -17.708 -13.726 711 HB3 LYS 102 3HB LYS 102 -0.714 -16.685 -15.156 712 HG2 LYS 102 2HG LYS 102 -2.694 -15.523 -14.181 713 HG3 LYS 102 3HG LYS 102 -2.443 -16.458 -12.704 714 HD2 LYS 102 2HD LYS 102 -0.259 -14.789 -13.918 715 HD3 LYS 102 3HD LYS 102 -1.442 -14.105 -12.801 716 HE2 LYS 102 2HE LYS 102 -0.681 -16.319 -11.443 717 HE3 LYS 102 3HE LYS 102 0.811 -15.935 -12.300 718 HZ1 LYS 102 1HZ LYS 102 1.192 -14.253 -10.929 719 HZ2 LYS 102 2HZ LYS 102 -0.109 -14.774 -9.982 720 HZ3 LYS 102 3HZ LYS 102 -0.349 -13.599 -11.175 721 H ALA 103 H ALA 103 -4.290 -17.323 -13.622 722 HA ALA 103 HA ALA 103 -4.209 -19.096 -11.480 723 HB1 ALA 103 1HB ALA 103 -6.420 -17.459 -12.672 724 HB2 ALA 103 2HB ALA 103 -6.699 -18.505 -11.279 725 HB3 ALA 103 3HB ALA 103 -5.524 -17.194 -11.176 726 H GLU 104 H GLU 104 -6.035 -19.313 -14.518 727 HA GLU 104 HA GLU 104 -7.324 -21.759 -13.870 728 HB2 GLU 104 2HB GLU 104 -7.702 -19.904 -15.794 729 HB3 GLU 104 3HB GLU 104 -6.842 -21.125 -16.722 730 HG2 GLU 104 2HG GLU 104 -8.662 -22.660 -15.447 731 HG3 GLU 104 3HG GLU 104 -9.561 -21.153 -15.617 732 H GLU 105 H GLU 105 -4.332 -20.941 -15.537 733 HA GLU 105 HA GLU 105 -3.722 -23.444 -16.612 734 HB2 GLU 105 2HB GLU 105 -2.535 -21.237 -17.026 735 HB3 GLU 105 3HB GLU 105 -1.685 -21.511 -15.511 736 HG2 GLU 105 2HG GLU 105 -1.153 -23.835 -16.667 737 HG3 GLU 105 3HG GLU 105 -1.399 -22.873 -18.124 738 H ILE 106 H ILE 106 -2.443 -22.036 -13.591 739 HA ILE 106 HA ILE 106 -1.197 -24.355 -12.663 740 HB ILE 106 HB ILE 106 -0.712 -22.187 -11.686 741 HG12 ILE 106 2HG1 ILE 106 -1.861 -23.438 -9.292 742 HG13 ILE 106 3HG1 ILE 106 -0.958 -24.554 -10.310 743 HG21 ILE 106 1HG2 ILE 106 -2.238 -20.940 -10.377 744 HG22 ILE 106 2HG2 ILE 106 -3.098 -21.381 -11.852 745 HG23 ILE 106 3HG2 ILE 106 -3.408 -22.260 -10.354 746 HD11 ILE 106 1HD1 ILE 106 0.312 -21.955 -9.697 747 HD12 ILE 106 2HD1 ILE 106 0.180 -23.130 -8.388 748 HD13 ILE 106 3HD1 ILE 106 1.026 -23.558 -9.875 749 H ALA 107 H ALA 107 -4.515 -23.253 -12.360 750 HA ALA 107 HA ALA 107 -5.435 -24.936 -10.353 751 HB1 ALA 107 1HB ALA 107 -6.706 -23.585 -12.678 752 HB2 ALA 107 2HB ALA 107 -7.633 -24.805 -11.803 753 HB3 ALA 107 3HB ALA 107 -7.010 -23.392 -10.951 754 H ALA 108 H ALA 108 -5.122 -25.550 -13.830 755 HA ALA 108 HA ALA 108 -6.270 -28.144 -13.762 756 HB1 ALA 108 1HB ALA 108 -6.041 -28.072 -15.983 757 HB2 ALA 108 2HB ALA 108 -5.511 -26.407 -15.742 758 HB3 ALA 108 3HB ALA 108 -4.320 -27.699 -15.885 759 H LYS 109 H LYS 109 -2.967 -26.935 -13.495 760 HA LYS 109 HA LYS 109 -1.672 -29.445 -13.609 761 HB2 LYS 109 2HB LYS 109 -0.802 -26.852 -12.319 762 HB3 LYS 109 3HB LYS 109 0.243 -28.245 -12.567 763 HG2 LYS 109 2HG LYS 109 -1.179 -27.016 -14.887 764 HG3 LYS 109 3HG LYS 109 0.295 -26.280 -14.252 765 HD2 LYS 109 2HD LYS 109 1.321 -27.685 -15.683 766 HD3 LYS 109 3HD LYS 109 1.049 -28.878 -14.410 767 HE2 LYS 109 2HE LYS 109 -1.311 -29.000 -15.725 768 HE3 LYS 109 3HE LYS 109 -0.223 -28.593 -17.052 769 HZ1 LYS 109 1HZ LYS 109 0.721 -30.605 -16.997 770 HZ2 LYS 109 2HZ LYS 109 -0.664 -31.082 -16.151 771 HZ3 LYS 109 3HZ LYS 109 0.745 -30.679 -15.307 772 H LYS 110 H LYS 110 -2.465 -27.378 -10.812 773 HA LYS 110 HA LYS 110 -1.860 -29.523 -8.968 774 HB2 LYS 110 2HB LYS 110 -2.045 -26.695 -8.826 775 HB3 LYS 110 3HB LYS 110 -3.233 -27.349 -7.706 776 HG2 LYS 110 2HG LYS 110 -1.670 -28.106 -6.287 777 HG3 LYS 110 3HG LYS 110 -0.593 -28.624 -7.586 778 HD2 LYS 110 2HD LYS 110 -0.340 -26.006 -7.916 779 HD3 LYS 110 3HD LYS 110 -0.797 -25.995 -6.211 780 HE2 LYS 110 2HE LYS 110 1.419 -27.711 -7.309 781 HE3 LYS 110 3HE LYS 110 1.682 -26.077 -6.701 782 HZ1 LYS 110 1HZ LYS 110 2.127 -27.455 -4.898 783 HZ2 LYS 110 2HZ LYS 110 0.813 -28.473 -5.208 784 HZ3 LYS 110 3HZ LYS 110 0.551 -26.917 -4.599 Start of MODEL 16 1 H1 THR 12 H THR 12 -0.631 -0.465 0.061 2 HA THR 12 HA THR 12 1.294 1.269 -1.326 3 HB THR 12 HB THR 12 1.554 -1.739 -1.262 4 HG1 THR 12 HG1 THR 12 3.305 0.047 0.061 5 HG21 THR 12 1HG2 THR 12 2.996 0.492 -2.582 6 HG22 THR 12 2HG2 THR 12 2.712 -1.158 -3.135 7 HG23 THR 12 3HG2 THR 12 3.973 -0.831 -1.946 8 H ASP 13 H ASP 13 1.116 1.335 -3.541 9 HA ASP 13 HA ASP 13 -1.025 -0.289 -4.744 10 HB2 ASP 13 2HB ASP 13 -1.424 1.779 -6.225 11 HB3 ASP 13 3HB ASP 13 -2.032 1.825 -4.573 12 H HIS 14 H HIS 14 -0.593 -1.187 -6.689 13 HA HIS 14 HA HIS 14 1.867 -0.373 -8.076 14 HB2 HIS 14 2HB HIS 14 2.273 -2.813 -8.564 15 HB3 HIS 14 3HB HIS 14 2.505 -2.343 -6.883 16 HD1 HIS 14 HD1 HIS 14 0.997 -3.418 -5.144 17 HD2 HIS 14 HD2 HIS 14 -0.034 -4.408 -9.045 18 HE1 HIS 14 HE1 HIS 14 -0.687 -5.275 -4.944 19 H GLN 15 H GLN 15 1.640 -0.109 -10.210 20 HA GLN 15 HA GLN 15 -0.663 -1.351 -11.547 21 HB2 GLN 15 2HB GLN 15 -1.145 0.700 -12.742 22 HB3 GLN 15 3HB GLN 15 -1.198 1.004 -11.011 23 HG2 GLN 15 2HG GLN 15 1.240 1.774 -11.291 24 HG3 GLN 15 3HG GLN 15 0.856 1.856 -13.009 25 HE21 GLN 15 1HE2 GLN 15 0.099 3.123 -9.841 26 HE22 GLN 15 2HE2 GLN 15 -0.655 4.578 -10.388 27 H THR 16 H THR 16 -0.169 -2.336 -13.399 28 HA THR 16 HA THR 16 2.076 -1.444 -15.011 29 HB THR 16 HB THR 16 2.120 -4.359 -14.456 30 HG1 THR 16 HG1 THR 16 2.195 -3.867 -12.359 31 HG21 THR 16 1HG2 THR 16 3.726 -2.486 -15.776 32 HG22 THR 16 2HG2 THR 16 4.098 -4.183 -15.472 33 HG23 THR 16 3HG2 THR 16 4.631 -2.945 -14.334 34 H VAL 17 H VAL 17 1.723 -1.767 -17.132 35 HA VAL 17 HA VAL 17 -0.594 -3.426 -17.878 36 HB VAL 17 HB VAL 17 0.573 -1.141 -19.469 37 HG11 VAL 17 1HG1 VAL 17 -0.601 -2.352 -21.012 38 HG12 VAL 17 2HG1 VAL 17 -1.726 -2.997 -19.815 39 HG13 VAL 17 3HG1 VAL 17 -1.895 -1.335 -20.380 40 HG21 VAL 17 1HG2 VAL 17 -0.290 0.094 -17.777 41 HG22 VAL 17 2HG2 VAL 17 -1.792 -0.184 -18.657 42 HG23 VAL 17 3HG2 VAL 17 -1.392 -1.181 -17.259 43 H TYR 18 H TYR 18 -0.467 -4.758 -19.700 44 HA TYR 18 HA TYR 18 2.282 -5.386 -20.547 45 HB2 TYR 18 2HB TYR 18 -0.115 -7.223 -20.640 46 HB3 TYR 18 3HB TYR 18 1.569 -7.656 -20.910 47 HD1 TYR 18 HD1 TYR 18 3.031 -8.118 -19.084 48 HD2 TYR 18 HD2 TYR 18 -0.891 -6.641 -18.353 49 HE1 TYR 18 HE1 TYR 18 3.280 -8.657 -16.697 50 HE2 TYR 18 HE2 TYR 18 -0.653 -7.175 -15.964 51 HH TYR 18 HH TYR 18 2.365 -8.527 -14.675 52 H VAL 19 H VAL 19 2.813 -5.072 -22.603 53 HA VAL 19 HA VAL 19 0.654 -4.873 -24.600 54 HB VAL 19 HB VAL 19 3.193 -3.240 -24.631 55 HG11 VAL 19 1HG1 VAL 19 0.944 -3.633 -26.484 56 HG12 VAL 19 2HG1 VAL 19 1.420 -1.954 -26.218 57 HG13 VAL 19 3HG1 VAL 19 2.603 -3.126 -26.800 58 HG21 VAL 19 1HG2 VAL 19 1.211 -1.432 -24.285 59 HG22 VAL 19 2HG2 VAL 19 0.598 -2.776 -23.322 60 HG23 VAL 19 3HG2 VAL 19 2.185 -2.093 -22.972 61 H LYS 20 H LYS 20 1.092 -5.655 -26.667 62 HA LYS 20 HA LYS 20 2.617 -7.941 -26.899 63 HB2 LYS 20 2HB LYS 20 2.475 -7.479 -29.416 64 HB3 LYS 20 3HB LYS 20 0.961 -7.620 -28.531 65 HG2 LYS 20 2HG LYS 20 0.357 -5.535 -29.026 66 HG3 LYS 20 3HG LYS 20 1.953 -4.888 -28.638 67 HD2 LYS 20 2HD LYS 20 1.964 -6.465 -31.078 68 HD3 LYS 20 3HD LYS 20 0.837 -5.109 -31.161 69 HE2 LYS 20 2HE LYS 20 2.502 -3.539 -30.939 70 HE3 LYS 20 3HE LYS 20 3.579 -4.645 -30.088 71 HZ1 LYS 20 1HZ LYS 20 4.312 -4.126 -32.366 72 HZ2 LYS 20 2HZ LYS 20 2.907 -4.846 -32.973 73 HZ3 LYS 20 3HZ LYS 20 4.039 -5.779 -32.132 74 HA PRO 21 HA PRO 21 6.805 -6.762 -27.475 75 HB2 PRO 21 2HB PRO 21 7.653 -8.602 -29.283 76 HB3 PRO 21 3HB PRO 21 7.305 -9.001 -27.596 77 HG2 PRO 21 2HG PRO 21 5.597 -9.385 -30.024 78 HG3 PRO 21 3HG PRO 21 5.879 -10.492 -28.668 79 HD2 PRO 21 2HD PRO 21 3.647 -8.972 -28.868 80 HD3 PRO 21 3HD PRO 21 4.369 -9.408 -27.305 81 H VAL 22 H VAL 22 8.433 -6.122 -29.124 82 HA VAL 22 HA VAL 22 7.111 -4.812 -31.405 83 HB VAL 22 HB VAL 22 9.191 -3.345 -31.405 84 HG11 VAL 22 1HG1 VAL 22 6.796 -3.199 -29.958 85 HG12 VAL 22 2HG1 VAL 22 8.061 -2.646 -28.858 86 HG13 VAL 22 3HG1 VAL 22 7.852 -1.867 -30.427 87 HG21 VAL 22 1HG2 VAL 22 10.593 -3.275 -29.524 88 HG22 VAL 22 2HG2 VAL 22 9.511 -4.291 -28.571 89 HG23 VAL 22 3HG2 VAL 22 10.436 -4.991 -29.900 90 HA PRO 23 HA PRO 23 9.442 -7.133 -34.313 91 HB2 PRO 23 2HB PRO 23 9.838 -5.294 -36.270 92 HB3 PRO 23 3HB PRO 23 8.266 -6.037 -35.955 93 HG2 PRO 23 2HG PRO 23 9.303 -3.363 -35.097 94 HG3 PRO 23 3HG PRO 23 7.704 -3.792 -35.733 95 HD2 PRO 23 2HD PRO 23 8.172 -3.432 -33.090 96 HD3 PRO 23 3HD PRO 23 6.969 -4.587 -33.698 97 HA PRO 24 HA PRO 24 13.774 -6.472 -33.944 98 HB2 PRO 24 2HB PRO 24 14.711 -7.270 -36.364 99 HB3 PRO 24 3HB PRO 24 14.084 -8.399 -35.157 100 HG2 PRO 24 2HG PRO 24 12.727 -7.255 -37.568 101 HG3 PRO 24 3HG PRO 24 12.704 -8.919 -36.956 102 HD2 PRO 24 2HD PRO 24 10.672 -7.182 -36.528 103 HD3 PRO 24 3HD PRO 24 11.112 -8.443 -35.359 104 H THR 25 H THR 25 12.047 -4.849 -36.463 105 HA THR 25 HA THR 25 14.282 -3.179 -37.242 106 HB THR 25 HB THR 25 11.363 -2.935 -37.997 107 HG1 THR 25 HG1 THR 25 11.784 -4.567 -39.264 108 HG21 THR 25 1HG2 THR 25 12.607 -0.858 -38.318 109 HG22 THR 25 2HG2 THR 25 12.209 -1.592 -39.872 110 HG23 THR 25 3HG2 THR 25 13.844 -1.726 -39.225 111 H ALA 26 H ALA 26 11.290 -2.864 -35.383 112 HA ALA 26 HA ALA 26 11.360 -0.111 -34.926 113 HB1 ALA 26 1HB ALA 26 10.112 -0.803 -32.751 114 HB2 ALA 26 2HB ALA 26 9.365 -1.100 -34.321 115 HB3 ALA 26 3HB ALA 26 10.157 -2.419 -33.459 116 H THR 27 H THR 27 12.992 1.007 -34.091 117 HA THR 27 HA THR 27 14.843 -0.214 -32.225 118 HB THR 27 HB THR 27 15.770 2.269 -32.316 119 HG1 THR 27 HG1 THR 27 15.290 3.056 -34.516 120 HG21 THR 27 1HG2 THR 27 16.565 1.366 -34.815 121 HG22 THR 27 2HG2 THR 27 16.142 -0.108 -33.944 122 HG23 THR 27 3HG2 THR 27 17.341 0.999 -33.275 123 H LEU 28 H LEU 28 15.582 1.291 -30.358 124 HA LEU 28 HA LEU 28 13.368 1.576 -28.592 125 HB2 LEU 28 2HB LEU 28 15.896 1.043 -28.138 126 HB3 LEU 28 3HB LEU 28 16.029 2.796 -28.019 127 HG LEU 28 HG LEU 28 13.846 1.941 -26.396 128 HD11 LEU 28 1HD1 LEU 28 16.371 0.653 -25.466 129 HD12 LEU 28 2HD1 LEU 28 15.297 -0.218 -26.561 130 HD13 LEU 28 3HD1 LEU 28 14.702 0.331 -24.994 131 HD21 LEU 28 1HD2 LEU 28 16.531 3.202 -25.935 132 HD22 LEU 28 2HD2 LEU 28 15.424 2.857 -24.606 133 HD23 LEU 28 3HD2 LEU 28 14.936 3.954 -25.899 134 H GLU 29 H GLU 29 15.464 3.865 -30.294 135 HA GLU 29 HA GLU 29 14.422 6.214 -29.151 136 HB2 GLU 29 2HB GLU 29 16.522 5.798 -30.679 137 HB3 GLU 29 3HB GLU 29 15.399 6.174 -31.978 138 HG2 GLU 29 2HG GLU 29 15.119 8.358 -31.286 139 HG3 GLU 29 3HG GLU 29 15.645 8.012 -29.639 140 H GLN 30 H GLN 30 13.482 4.365 -32.011 141 HA GLN 30 HA GLN 30 11.550 6.193 -32.964 142 HB2 GLN 30 2HB GLN 30 12.582 3.686 -33.749 143 HB3 GLN 30 3HB GLN 30 10.841 3.481 -33.605 144 HG2 GLN 30 2HG GLN 30 10.397 4.819 -35.364 145 HG3 GLN 30 3HG GLN 30 11.752 5.895 -35.030 146 HE21 GLN 30 1HE2 GLN 30 10.762 4.466 -37.488 147 HE22 GLN 30 2HE2 GLN 30 12.161 3.668 -38.112 148 H LEU 31 H LEU 31 11.279 3.308 -30.911 149 HA LEU 31 HA LEU 31 8.504 3.306 -30.610 150 HB2 LEU 31 2HB LEU 31 10.751 1.977 -29.451 151 HB3 LEU 31 3HB LEU 31 9.648 2.467 -28.166 152 HG LEU 31 HG LEU 31 8.749 0.890 -30.567 153 HD11 LEU 31 1HD1 LEU 31 10.483 0.005 -28.531 154 HD12 LEU 31 2HD1 LEU 31 9.660 -0.959 -29.757 155 HD13 LEU 31 3HD1 LEU 31 8.896 -0.685 -28.192 156 HD21 LEU 31 1HD2 LEU 31 7.089 2.158 -29.164 157 HD22 LEU 31 2HD2 LEU 31 7.539 1.110 -27.819 158 HD23 LEU 31 3HD2 LEU 31 6.817 0.419 -29.273 159 H THR 32 H THR 32 10.984 4.761 -28.508 160 HA THR 32 HA THR 32 9.234 5.902 -26.647 161 HB THR 32 HB THR 32 11.898 7.068 -27.466 162 HG1 THR 32 HG1 THR 32 12.668 5.215 -26.798 163 HG21 THR 32 1HG2 THR 32 10.351 8.337 -25.892 164 HG22 THR 32 2HG2 THR 32 11.978 8.004 -25.297 165 HG23 THR 32 3HG2 THR 32 10.618 7.028 -24.741 166 H GLU 33 H GLU 33 10.564 7.199 -29.663 167 HA GLU 33 HA GLU 33 9.615 9.813 -29.446 168 HB2 GLU 33 2HB GLU 33 11.204 8.821 -31.191 169 HB3 GLU 33 3HB GLU 33 9.760 8.300 -32.047 170 HG2 GLU 33 2HG GLU 33 9.641 10.281 -33.010 171 HG3 GLU 33 3HG GLU 33 9.395 11.020 -31.429 172 H PHE 34 H PHE 34 8.101 7.020 -31.059 173 HA PHE 34 HA PHE 34 5.745 8.306 -31.836 174 HB2 PHE 34 2HB PHE 34 6.597 5.487 -31.458 175 HB3 PHE 34 3HB PHE 34 4.863 5.788 -31.509 176 HD1 PHE 34 HD1 PHE 34 7.989 6.547 -33.383 177 HD2 PHE 34 HD2 PHE 34 3.790 5.872 -33.548 178 HE1 PHE 34 HE1 PHE 34 8.079 6.610 -35.841 179 HE2 PHE 34 HE2 PHE 34 3.873 5.933 -36.006 180 HZ PHE 34 HZ PHE 34 6.019 6.302 -37.156 181 H PHE 35 H PHE 35 6.522 6.535 -28.868 182 HA PHE 35 HA PHE 35 4.022 6.542 -27.669 183 HB2 PHE 35 2HB PHE 35 6.819 6.371 -26.710 184 HB3 PHE 35 3HB PHE 35 5.613 6.812 -25.506 185 HD1 PHE 35 HD1 PHE 35 5.003 5.031 -24.209 186 HD2 PHE 35 HD2 PHE 35 5.712 4.404 -28.359 187 HE1 PHE 35 HE1 PHE 35 4.393 2.661 -23.952 188 HE2 PHE 35 HE2 PHE 35 5.102 2.034 -28.109 189 HZ PHE 35 HZ PHE 35 4.440 1.160 -25.904 190 H SER 36 H SER 36 6.623 8.948 -27.288 191 HA SER 36 HA SER 36 5.278 10.708 -25.613 192 HB2 SER 36 2HB SER 36 7.755 10.662 -26.723 193 HB3 SER 36 3HB SER 36 7.012 11.961 -27.655 194 HG SER 36 HG SER 36 8.064 12.233 -25.343 195 H LYS 37 H LYS 37 5.180 10.398 -29.116 196 HA LYS 37 HA LYS 37 3.799 12.763 -29.711 197 HB2 LYS 37 2HB LYS 37 4.915 11.218 -31.356 198 HB3 LYS 37 3HB LYS 37 3.541 10.135 -31.179 199 HG2 LYS 37 2HG LYS 37 2.084 12.064 -31.900 200 HG3 LYS 37 3HG LYS 37 3.573 12.910 -32.329 201 HD2 LYS 37 2HD LYS 37 3.001 10.155 -33.369 202 HD3 LYS 37 3HD LYS 37 2.334 11.584 -34.162 203 HE2 LYS 37 2HE LYS 37 4.948 12.290 -33.849 204 HE3 LYS 37 3HE LYS 37 5.079 10.553 -34.118 205 HZ1 LYS 37 1HZ LYS 37 3.591 10.936 -36.103 206 HZ2 LYS 37 2HZ LYS 37 5.168 11.533 -36.228 207 HZ3 LYS 37 3HZ LYS 37 3.888 12.590 -35.904 208 H HIS 38 H HIS 38 2.666 9.600 -28.671 209 HA HIS 38 HA HIS 38 0.058 10.771 -28.087 210 HB2 HIS 38 2HB HIS 38 0.095 9.583 -30.388 211 HB3 HIS 38 3HB HIS 38 0.172 8.094 -29.451 212 HD1 HIS 38 HD1 HIS 38 -2.011 11.221 -29.319 213 HD2 HIS 38 HD2 HIS 38 -2.301 7.080 -29.143 214 HE1 HIS 38 HE1 HIS 38 -4.462 10.730 -29.046 215 H GLY 39 H GLY 39 -0.139 10.454 -25.968 216 HA2 GLY 39 2HA GLY 39 -0.660 9.035 -24.142 217 HA3 GLY 39 3HA GLY 39 0.227 7.739 -24.930 218 H THR 40 H THR 40 0.311 9.274 -22.223 219 HA THR 40 HA THR 40 3.200 9.841 -22.236 220 HB THR 40 HB THR 40 1.344 10.625 -20.004 221 HG1 THR 40 HG1 THR 40 0.597 12.251 -21.152 222 HG21 THR 40 1HG2 THR 40 3.944 10.705 -19.951 223 HG22 THR 40 2HG2 THR 40 3.025 12.092 -19.365 224 HG23 THR 40 3HG2 THR 40 3.746 12.127 -20.974 225 H VAL 41 H VAL 41 4.417 8.245 -21.485 226 HA VAL 41 HA VAL 41 3.330 6.523 -19.353 227 HB VAL 41 HB VAL 41 4.971 4.806 -20.151 228 HG11 VAL 41 1HG1 VAL 41 2.562 5.720 -21.550 229 HG12 VAL 41 2HG1 VAL 41 3.598 4.647 -22.492 230 HG13 VAL 41 3HG1 VAL 41 2.976 4.124 -20.926 231 HG21 VAL 41 1HG2 VAL 41 6.074 5.021 -22.227 232 HG22 VAL 41 2HG2 VAL 41 5.175 6.481 -22.641 233 HG23 VAL 41 3HG2 VAL 41 6.388 6.525 -21.362 234 H GLN 42 H GLN 42 4.658 5.963 -17.625 235 HA GLN 42 HA GLN 42 6.606 7.925 -16.902 236 HB2 GLN 42 2HB GLN 42 4.970 6.564 -15.393 237 HB3 GLN 42 3HB GLN 42 6.236 5.344 -15.421 238 HG2 GLN 42 2HG GLN 42 7.679 7.535 -14.791 239 HG3 GLN 42 3HG GLN 42 6.133 7.936 -14.046 240 HE21 GLN 42 1HE2 GLN 42 6.283 7.526 -11.961 241 HE22 GLN 42 2HE2 GLN 42 6.935 6.092 -11.252 242 H ALA 43 H ALA 43 6.803 4.398 -17.396 243 HA ALA 43 HA ALA 43 9.390 4.660 -18.639 244 HB1 ALA 43 1HB ALA 43 9.817 4.708 -16.140 245 HB2 ALA 43 2HB ALA 43 9.282 3.027 -16.118 246 HB3 ALA 43 3HB ALA 43 10.695 3.491 -17.065 247 H VAL 44 H VAL 44 10.271 2.473 -19.256 248 HA VAL 44 HA VAL 44 8.256 0.367 -19.407 249 HB VAL 44 HB VAL 44 7.866 1.693 -21.427 250 HG11 VAL 44 1HG1 VAL 44 10.630 1.001 -22.364 251 HG12 VAL 44 2HG1 VAL 44 9.497 2.180 -23.027 252 HG13 VAL 44 3HG1 VAL 44 10.302 2.496 -21.489 253 HG21 VAL 44 1HG2 VAL 44 7.641 -0.790 -21.437 254 HG22 VAL 44 2HG2 VAL 44 7.970 -0.092 -23.023 255 HG23 VAL 44 3HG2 VAL 44 9.263 -0.886 -22.124 256 H TRP 45 H TRP 45 9.097 -1.691 -19.718 257 HA TRP 45 HA TRP 45 11.879 -2.097 -20.319 258 HB2 TRP 45 2HB TRP 45 11.621 -1.452 -17.787 259 HB3 TRP 45 3HB TRP 45 11.058 -3.113 -17.623 260 HD1 TRP 45 HD1 TRP 45 12.883 -4.883 -17.277 261 HE1 TRP 45 HE1 TRP 45 15.445 -4.949 -17.519 262 HE3 TRP 45 HE3 TRP 45 13.620 -0.278 -19.373 263 HZ2 TRP 45 HZ2 TRP 45 17.505 -3.271 -18.471 264 HZ3 TRP 45 HZ3 TRP 45 15.917 0.415 -19.918 265 HH2 TRP 45 HH2 TRP 45 17.818 -1.052 -19.476 266 H ARG 46 H ARG 46 12.450 -4.480 -20.105 267 HA ARG 46 HA ARG 46 10.255 -6.342 -20.078 268 HB2 ARG 46 2HB ARG 46 10.610 -7.145 -22.387 269 HB3 ARG 46 3HB ARG 46 10.007 -5.494 -22.337 270 HG2 ARG 46 2HG ARG 46 12.944 -5.936 -22.495 271 HG3 ARG 46 3HG ARG 46 11.962 -6.180 -23.941 272 HD2 ARG 46 2HD ARG 46 11.266 -3.733 -22.553 273 HD3 ARG 46 3HD ARG 46 12.970 -3.772 -23.003 274 HE ARG 46 HE ARG 46 10.746 -3.458 -24.754 275 HH11 ARG 46 1HH1 ARG 46 13.957 -4.784 -24.527 276 HH12 ARG 46 2HH1 ARG 46 14.265 -4.671 -26.228 277 HH21 ARG 46 1HH2 ARG 46 11.140 -3.305 -26.996 278 HH22 ARG 46 2HH2 ARG 46 12.662 -3.829 -27.632 279 H ARG 47 H ARG 47 10.919 -8.443 -19.777 280 HA ARG 47 HA ARG 47 13.724 -9.132 -20.083 281 HB2 ARG 47 2HB ARG 47 14.036 -9.814 -17.783 282 HB3 ARG 47 3HB ARG 47 13.575 -8.118 -17.828 283 HG2 ARG 47 2HG ARG 47 11.269 -9.848 -17.589 284 HG3 ARG 47 3HG ARG 47 12.431 -10.107 -16.286 285 HD2 ARG 47 2HD ARG 47 11.492 -7.370 -17.104 286 HD3 ARG 47 3HD ARG 47 10.648 -8.340 -15.897 287 HE ARG 47 HE ARG 47 13.114 -6.919 -15.556 288 HH11 ARG 47 1HH1 ARG 47 11.218 -9.625 -14.461 289 HH12 ARG 47 2HH1 ARG 47 11.957 -9.677 -12.895 290 HH21 ARG 47 1HH2 ARG 47 14.096 -6.978 -13.498 291 HH22 ARG 47 2HH2 ARG 47 13.594 -8.171 -12.348 292 H TYR 48 H TYR 48 14.114 -11.455 -19.634 293 HA TYR 48 HA TYR 48 11.746 -13.150 -19.642 294 HB2 TYR 48 2HB TYR 48 12.666 -14.407 -21.648 295 HB3 TYR 48 3HB TYR 48 11.962 -12.829 -21.985 296 HD1 TYR 48 HD1 TYR 48 14.987 -14.838 -22.028 297 HD2 TYR 48 HD2 TYR 48 13.432 -10.906 -22.505 298 HE1 TYR 48 HE1 TYR 48 17.071 -14.155 -23.141 299 HE2 TYR 48 HE2 TYR 48 15.512 -10.212 -23.620 300 HH TYR 48 HH TYR 48 17.926 -10.967 -23.645 301 H PHE 49 H PHE 49 12.103 -14.713 -18.227 302 HA PHE 49 HA PHE 49 14.773 -15.323 -17.330 303 HB2 PHE 49 2HB PHE 49 12.029 -15.858 -16.417 304 HB3 PHE 49 3HB PHE 49 13.165 -17.164 -16.101 305 HD1 PHE 49 HD1 PHE 49 13.473 -13.447 -16.015 306 HD2 PHE 49 HD2 PHE 49 13.807 -17.126 -13.900 307 HE1 PHE 49 HE1 PHE 49 14.311 -12.235 -14.045 308 HE2 PHE 49 HE2 PHE 49 14.644 -15.919 -11.926 309 HZ PHE 49 HZ PHE 49 14.896 -13.470 -11.996 310 H ALA 50 H ALA 50 16.048 -16.810 -18.193 311 HA ALA 50 HA ALA 50 15.010 -18.685 -20.135 312 HB1 ALA 50 1HB ALA 50 17.509 -17.441 -19.633 313 HB2 ALA 50 2HB ALA 50 17.747 -19.188 -19.581 314 HB3 ALA 50 3HB ALA 50 17.032 -18.438 -21.008 315 H GLY 51 H GLY 51 16.244 -18.740 -16.851 316 HA2 GLY 51 2HA GLY 51 15.801 -20.376 -15.244 317 HA3 GLY 51 3HA GLY 51 15.190 -21.426 -16.514 318 H LYS 52 H LYS 52 17.632 -21.011 -14.334 319 HA LYS 52 HA LYS 52 19.332 -22.914 -15.781 320 HB2 LYS 52 2HB LYS 52 20.267 -20.405 -14.384 321 HB3 LYS 52 3HB LYS 52 21.343 -21.717 -14.846 322 HG2 LYS 52 2HG LYS 52 21.514 -20.910 -16.897 323 HG3 LYS 52 3HG LYS 52 19.761 -20.950 -17.100 324 HD2 LYS 52 2HD LYS 52 19.604 -18.767 -15.969 325 HD3 LYS 52 3HD LYS 52 21.363 -18.727 -15.832 326 HE2 LYS 52 2HE LYS 52 21.246 -19.106 -18.430 327 HE3 LYS 52 3HE LYS 52 19.630 -18.427 -18.241 328 HZ1 LYS 52 1HZ LYS 52 20.505 -16.413 -18.135 329 HZ2 LYS 52 2HZ LYS 52 22.047 -17.059 -18.392 330 HZ3 LYS 52 3HZ LYS 52 21.471 -16.849 -16.815 331 H LYS 53 H LYS 53 17.557 -23.776 -13.970 332 HA LYS 53 HA LYS 53 19.280 -24.721 -11.824 333 HB2 LYS 53 2HB LYS 53 17.586 -24.251 -10.090 334 HB3 LYS 53 3HB LYS 53 18.228 -22.781 -10.812 335 HG2 LYS 53 2HG LYS 53 15.907 -23.627 -12.258 336 HG3 LYS 53 3HG LYS 53 15.542 -23.538 -10.533 337 HD2 LYS 53 2HD LYS 53 16.014 -21.274 -10.418 338 HD3 LYS 53 3HD LYS 53 17.030 -21.309 -11.861 339 HE2 LYS 53 2HE LYS 53 15.298 -20.679 -13.098 340 HE3 LYS 53 3HE LYS 53 14.419 -22.127 -12.611 341 HZ1 LYS 53 1HZ LYS 53 13.417 -21.004 -10.841 342 HZ2 LYS 53 2HZ LYS 53 13.339 -19.906 -12.125 343 HZ3 LYS 53 3HZ LYS 53 14.501 -19.707 -10.912 344 H ASP 54 H ASP 54 17.834 -26.305 -10.398 345 HA ASP 54 HA ASP 54 16.611 -28.142 -12.325 346 HB2 ASP 54 2HB ASP 54 18.531 -28.731 -10.624 347 HB3 ASP 54 3HB ASP 54 17.194 -28.898 -9.489 348 H ALA 55 H ALA 55 15.247 -25.775 -11.193 349 HA ALA 55 HA ALA 55 13.066 -27.130 -9.747 350 HB1 ALA 55 1HB ALA 55 14.448 -24.684 -9.218 351 HB2 ALA 55 2HB ALA 55 12.745 -24.341 -9.525 352 HB3 ALA 55 3HB ALA 55 13.200 -25.486 -8.264 353 HA PRO 56 HA PRO 56 10.228 -26.310 -12.991 354 HB2 PRO 56 2HB PRO 56 7.973 -25.636 -11.638 355 HB3 PRO 56 3HB PRO 56 8.605 -27.286 -11.690 356 HG2 PRO 56 2HG PRO 56 8.891 -25.214 -9.548 357 HG3 PRO 56 3HG PRO 56 8.546 -26.946 -9.390 358 HD2 PRO 56 2HD PRO 56 11.015 -25.909 -8.989 359 HD3 PRO 56 3HD PRO 56 10.759 -27.538 -9.647 360 HA PRO 57 HA PRO 57 9.914 -22.044 -14.008 361 HB2 PRO 57 2HB PRO 57 7.546 -21.913 -15.329 362 HB3 PRO 57 3HB PRO 57 8.986 -22.678 -16.012 363 HG2 PRO 57 2HG PRO 57 6.627 -23.940 -14.669 364 HG3 PRO 57 3HG PRO 57 7.488 -24.453 -16.132 365 HD2 PRO 57 2HD PRO 57 7.905 -25.604 -13.717 366 HD3 PRO 57 3HD PRO 57 9.188 -25.448 -14.934 367 H GLU 58 H GLU 58 9.732 -20.950 -12.064 368 HA GLU 58 HA GLU 58 7.105 -20.698 -10.824 369 HB2 GLU 58 2HB GLU 58 9.381 -21.027 -9.593 370 HB3 GLU 58 3HB GLU 58 9.575 -19.300 -9.855 371 HG2 GLU 58 2HG GLU 58 8.335 -18.882 -8.079 372 HG3 GLU 58 3HG GLU 58 6.977 -19.730 -8.815 373 H SER 59 H SER 59 9.547 -18.713 -12.425 374 HA SER 59 HA SER 59 7.887 -16.336 -12.205 375 HB2 SER 59 2HB SER 59 10.331 -16.316 -13.894 376 HB3 SER 59 3HB SER 59 9.758 -15.128 -12.723 377 HG SER 59 HG SER 59 11.320 -17.405 -12.340 378 H ARG 60 H ARG 60 7.529 -15.008 -14.196 379 HA ARG 60 HA ARG 60 6.609 -16.762 -16.363 380 HB2 ARG 60 2HB ARG 60 5.783 -13.965 -15.572 381 HB3 ARG 60 3HB ARG 60 5.193 -14.794 -17.006 382 HG2 ARG 60 2HG ARG 60 4.870 -15.884 -14.224 383 HG3 ARG 60 3HG ARG 60 3.674 -14.855 -15.014 384 HD2 ARG 60 2HD ARG 60 3.053 -16.477 -16.494 385 HD3 ARG 60 3HD ARG 60 4.645 -17.235 -16.496 386 HE ARG 60 HE ARG 60 3.470 -17.587 -13.972 387 HH11 ARG 60 1HH1 ARG 60 3.091 -18.632 -17.271 388 HH12 ARG 60 2HH1 ARG 60 2.393 -20.159 -16.844 389 HH21 ARG 60 1HH2 ARG 60 2.552 -19.594 -13.397 390 HH22 ARG 60 2HH2 ARG 60 2.086 -20.705 -14.640 391 H THR 61 H THR 61 7.779 -16.829 -18.152 392 HA THR 61 HA THR 61 9.420 -14.482 -18.855 393 HB THR 61 HB THR 61 10.911 -16.272 -18.399 394 HG1 THR 61 HG1 THR 61 10.709 -16.577 -21.185 395 HG21 THR 61 1HG2 THR 61 8.770 -17.898 -19.477 396 HG22 THR 61 2HG2 THR 61 10.109 -18.357 -18.425 397 HG23 THR 61 3HG2 THR 61 10.329 -18.335 -20.174 398 H LYS 62 H LYS 62 8.313 -13.374 -20.352 399 HA LYS 62 HA LYS 62 7.544 -14.792 -22.796 400 HB2 LYS 62 2HB LYS 62 5.479 -13.243 -22.843 401 HB3 LYS 62 3HB LYS 62 5.430 -14.668 -21.813 402 HG2 LYS 62 2HG LYS 62 6.458 -12.267 -20.493 403 HG3 LYS 62 3HG LYS 62 4.781 -12.148 -21.031 404 HD2 LYS 62 2HD LYS 62 5.584 -14.638 -19.637 405 HD3 LYS 62 3HD LYS 62 5.467 -13.171 -18.662 406 HE2 LYS 62 2HE LYS 62 3.231 -13.154 -18.764 407 HE3 LYS 62 3HE LYS 62 3.218 -13.533 -20.486 408 HZ1 LYS 62 1HZ LYS 62 3.416 -15.426 -18.215 409 HZ2 LYS 62 2HZ LYS 62 3.745 -15.877 -19.811 410 HZ3 LYS 62 3HZ LYS 62 2.200 -15.334 -19.388 411 HA PRO 63 HA PRO 63 9.378 -11.408 -24.905 412 HB2 PRO 63 2HB PRO 63 7.822 -11.223 -27.122 413 HB3 PRO 63 3HB PRO 63 8.968 -12.542 -26.861 414 HG2 PRO 63 2HG PRO 63 6.007 -12.491 -26.424 415 HG3 PRO 63 3HG PRO 63 7.009 -13.759 -27.154 416 HD2 PRO 63 2HD PRO 63 6.129 -13.888 -24.596 417 HD3 PRO 63 3HD PRO 63 7.683 -14.580 -25.108 418 H SER 64 H SER 64 6.069 -11.246 -23.943 419 HA SER 64 HA SER 64 5.257 -8.768 -24.853 420 HB2 SER 64 2HB SER 64 4.567 -9.436 -22.041 421 HB3 SER 64 3HB SER 64 3.519 -8.961 -23.377 422 HG SER 64 HG SER 64 3.147 -11.113 -22.930 423 H VAL 65 H VAL 65 5.303 -6.669 -23.978 424 HA VAL 65 HA VAL 65 7.649 -6.155 -22.279 425 HB VAL 65 HB VAL 65 7.509 -3.819 -23.170 426 HG11 VAL 65 1HG1 VAL 65 8.904 -5.772 -24.123 427 HG12 VAL 65 2HG1 VAL 65 7.754 -5.732 -25.462 428 HG13 VAL 65 3HG1 VAL 65 8.725 -4.307 -25.089 429 HG21 VAL 65 1HG2 VAL 65 5.039 -4.181 -23.834 430 HG22 VAL 65 2HG2 VAL 65 6.067 -3.212 -24.890 431 HG23 VAL 65 3HG2 VAL 65 5.703 -4.886 -25.308 432 H PHE 66 H PHE 66 7.516 -4.758 -20.525 433 HA PHE 66 HA PHE 66 4.791 -4.336 -19.512 434 HB2 PHE 66 2HB PHE 66 7.350 -4.219 -17.915 435 HB3 PHE 66 3HB PHE 66 5.704 -4.359 -17.305 436 HD1 PHE 66 HD1 PHE 66 8.639 -6.112 -17.987 437 HD2 PHE 66 HD2 PHE 66 4.405 -6.491 -18.196 438 HE1 PHE 66 HE1 PHE 66 8.861 -8.562 -17.969 439 HE2 PHE 66 HE2 PHE 66 4.620 -8.942 -18.178 440 HZ PHE 66 HZ PHE 66 6.850 -9.981 -18.063 441 H VAL 67 H VAL 67 4.010 -2.345 -19.203 442 HA VAL 67 HA VAL 67 5.888 -0.077 -19.304 443 HB VAL 67 HB VAL 67 4.159 1.225 -20.506 444 HG11 VAL 67 1HG1 VAL 67 5.336 -1.241 -21.728 445 HG12 VAL 67 2HG1 VAL 67 4.350 -0.141 -22.694 446 HG13 VAL 67 3HG1 VAL 67 5.824 0.442 -21.920 447 HG21 VAL 67 1HG2 VAL 67 2.719 -1.402 -20.420 448 HG22 VAL 67 2HG2 VAL 67 2.121 0.206 -20.011 449 HG23 VAL 67 3HG2 VAL 67 2.398 -0.230 -21.697 450 H VAL 68 H VAL 68 5.521 1.586 -17.903 451 HA VAL 68 HA VAL 68 3.196 1.325 -16.108 452 HB VAL 68 HB VAL 68 5.931 2.322 -15.303 453 HG11 VAL 68 1HG1 VAL 68 4.047 1.412 -13.257 454 HG12 VAL 68 2HG1 VAL 68 5.062 2.855 -13.307 455 HG13 VAL 68 3HG1 VAL 68 3.511 2.836 -14.148 456 HG21 VAL 68 1HG2 VAL 68 4.957 -0.360 -15.612 457 HG22 VAL 68 2HG2 VAL 68 6.558 0.196 -15.126 458 HG23 VAL 68 3HG2 VAL 68 5.298 -0.032 -13.914 459 H PHE 69 H PHE 69 1.861 2.983 -16.334 460 HA PHE 69 HA PHE 69 2.765 5.471 -17.502 461 HB2 PHE 69 2HB PHE 69 0.028 4.615 -16.538 462 HB3 PHE 69 3HB PHE 69 0.374 6.108 -17.404 463 HD1 PHE 69 HD1 PHE 69 0.475 6.151 -19.741 464 HD2 PHE 69 HD2 PHE 69 0.450 2.419 -17.695 465 HE1 PHE 69 HE1 PHE 69 0.162 4.982 -21.884 466 HE2 PHE 69 HE2 PHE 69 0.139 1.244 -19.834 467 HZ PHE 69 HZ PHE 69 -0.005 2.526 -21.932 468 H ASN 70 H ASN 70 2.635 7.511 -16.528 469 HA ASN 70 HA ASN 70 3.094 7.478 -13.671 470 HB2 ASN 70 2HB ASN 70 4.580 8.835 -14.993 471 HB3 ASN 70 3HB ASN 70 3.226 9.688 -15.729 472 HD21 ASN 70 1HD2 ASN 70 4.058 8.843 -12.385 473 HD22 ASN 70 2HD2 ASN 70 3.954 10.455 -11.773 474 H SER 71 H SER 71 0.724 8.791 -15.935 475 HA SER 71 HA SER 71 -0.806 10.051 -13.834 476 HB2 SER 71 2HB SER 71 -1.710 9.595 -16.677 477 HB3 SER 71 3HB SER 71 -2.239 10.848 -15.555 478 HG SER 71 HG SER 71 -0.248 11.834 -15.748 479 H SER 72 H SER 72 -2.450 9.196 -12.731 480 HA SER 72 HA SER 72 -3.011 6.449 -12.802 481 HB2 SER 72 2HB SER 72 -5.127 7.284 -11.458 482 HB3 SER 72 3HB SER 72 -3.516 7.385 -10.749 483 HG SER 72 HG SER 72 -3.770 9.458 -10.669 484 H GLU 73 H GLU 73 -4.903 9.215 -13.994 485 HA GLU 73 HA GLU 73 -7.095 7.788 -14.961 486 HB2 GLU 73 2HB GLU 73 -6.656 10.362 -14.755 487 HB3 GLU 73 3HB GLU 73 -6.080 10.206 -16.408 488 HG2 GLU 73 2HG GLU 73 -8.507 8.862 -16.389 489 HG3 GLU 73 3HG GLU 73 -8.778 10.291 -15.394 490 H GLU 74 H GLU 74 -4.283 8.977 -16.810 491 HA GLU 74 HA GLU 74 -4.932 7.719 -19.220 492 HB2 GLU 74 2HB GLU 74 -3.143 9.515 -18.713 493 HB3 GLU 74 3HB GLU 74 -2.093 8.157 -18.335 494 HG2 GLU 74 2HG GLU 74 -1.673 7.812 -20.477 495 HG3 GLU 74 3HG GLU 74 -3.394 7.711 -20.848 496 H ALA 75 H ALA 75 -3.224 6.545 -16.389 497 HA ALA 75 HA ALA 75 -2.097 4.222 -17.464 498 HB1 ALA 75 1HB ALA 75 -3.104 4.709 -14.663 499 HB2 ALA 75 2HB ALA 75 -2.035 3.395 -15.154 500 HB3 ALA 75 3HB ALA 75 -1.487 5.067 -15.269 501 H GLU 76 H GLU 76 -5.164 4.564 -15.667 502 HA GLU 76 HA GLU 76 -6.022 1.919 -16.075 503 HB2 GLU 76 2HB GLU 76 -7.455 4.468 -15.381 504 HB3 GLU 76 3HB GLU 76 -8.342 2.971 -15.629 505 HG2 GLU 76 2HG GLU 76 -6.054 3.129 -13.704 506 HG3 GLU 76 3HG GLU 76 -7.686 3.611 -13.244 507 H ALA 77 H ALA 77 -6.529 4.872 -17.936 508 HA ALA 77 HA ALA 77 -8.464 3.974 -19.721 509 HB1 ALA 77 1HB ALA 77 -6.491 5.680 -20.996 510 HB2 ALA 77 2HB ALA 77 -8.193 5.984 -20.644 511 HB3 ALA 77 3HB ALA 77 -6.971 6.276 -19.406 512 H PHE 78 H PHE 78 -4.920 3.922 -20.107 513 HA PHE 78 HA PHE 78 -4.948 2.543 -22.572 514 HB2 PHE 78 2HB PHE 78 -2.898 3.242 -20.538 515 HB3 PHE 78 3HB PHE 78 -2.506 1.933 -21.648 516 HD1 PHE 78 HD1 PHE 78 -1.539 2.442 -23.673 517 HD2 PHE 78 HD2 PHE 78 -3.816 5.421 -21.658 518 HE1 PHE 78 HE1 PHE 78 -0.895 4.088 -25.385 519 HE2 PHE 78 HE2 PHE 78 -3.177 7.071 -23.368 520 HZ PHE 78 HZ PHE 78 -1.715 6.405 -25.235 521 H GLN 79 H GLN 79 -4.802 1.467 -19.225 522 HA GLN 79 HA GLN 79 -4.133 -1.208 -19.634 523 HB2 GLN 79 2HB GLN 79 -4.701 0.333 -17.453 524 HB3 GLN 79 3HB GLN 79 -6.110 -0.719 -17.510 525 HG2 GLN 79 2HG GLN 79 -4.857 -2.634 -17.167 526 HG3 GLN 79 3HG GLN 79 -3.359 -1.869 -17.693 527 HE21 GLN 79 1HE2 GLN 79 -2.220 -2.407 -15.866 528 HE22 GLN 79 2HE2 GLN 79 -2.529 -1.698 -14.321 529 H LYS 80 H LYS 80 -7.317 0.354 -19.569 530 HA LYS 80 HA LYS 80 -8.884 -1.940 -19.861 531 HB2 LYS 80 2HB LYS 80 -9.756 0.312 -19.287 532 HB3 LYS 80 3HB LYS 80 -9.459 0.826 -20.942 533 HG2 LYS 80 2HG LYS 80 -11.044 -0.882 -21.733 534 HG3 LYS 80 3HG LYS 80 -11.374 -1.323 -20.056 535 HD2 LYS 80 2HD LYS 80 -12.925 0.267 -19.978 536 HD3 LYS 80 3HD LYS 80 -11.664 1.476 -20.233 537 HE2 LYS 80 2HE LYS 80 -11.940 1.334 -22.617 538 HE3 LYS 80 3HE LYS 80 -13.064 -0.013 -22.450 539 HZ1 LYS 80 1HZ LYS 80 -13.676 2.682 -22.524 540 HZ2 LYS 80 2HZ LYS 80 -13.955 2.197 -20.928 541 HZ3 LYS 80 3HZ LYS 80 -14.732 1.401 -22.202 542 H ALA 81 H ALA 81 -8.219 0.414 -22.457 543 HA ALA 81 HA ALA 81 -8.091 -1.849 -24.342 544 HB1 ALA 81 1HB ALA 81 -8.932 0.167 -25.932 545 HB2 ALA 81 2HB ALA 81 -10.009 -0.989 -25.147 546 HB3 ALA 81 3HB ALA 81 -9.730 0.592 -24.418 547 HA PRO 82 HA PRO 82 -4.260 -0.307 -25.824 548 HB2 PRO 82 2HB PRO 82 -4.439 -0.762 -28.494 549 HB3 PRO 82 3HB PRO 82 -4.238 -2.059 -27.310 550 HG2 PRO 82 2HG PRO 82 -6.728 -1.107 -28.671 551 HG3 PRO 82 3HG PRO 82 -6.189 -2.767 -28.358 552 HD2 PRO 82 2HD PRO 82 -8.043 -1.525 -26.825 553 HD3 PRO 82 3HD PRO 82 -6.908 -2.723 -26.169 554 HA PRO 83 HA PRO 83 -4.498 3.815 -27.337 555 HB2 PRO 83 2HB PRO 83 -2.276 4.016 -28.885 556 HB3 PRO 83 3HB PRO 83 -2.213 3.935 -27.120 557 HG2 PRO 83 2HG PRO 83 -1.777 1.763 -29.133 558 HG3 PRO 83 3HG PRO 83 -0.860 2.122 -27.658 559 HD2 PRO 83 2HD PRO 83 -2.713 0.151 -27.778 560 HD3 PRO 83 3HD PRO 83 -2.400 1.078 -26.297 561 H MET 84 H MET 84 -3.921 1.351 -29.808 562 HA MET 84 HA MET 84 -4.698 1.103 -31.930 563 HB2 MET 84 2HB MET 84 -6.777 2.471 -30.505 564 HB3 MET 84 3HB MET 84 -6.716 3.074 -32.155 565 HG2 MET 84 2HG MET 84 -6.500 0.248 -32.241 566 HG3 MET 84 3HG MET 84 -7.847 0.668 -31.187 567 HE1 MET 84 1HE MET 84 -9.521 2.176 -31.607 568 HE2 MET 84 2HE MET 84 -9.600 3.253 -33.001 569 HE3 MET 84 3HE MET 84 -10.540 1.760 -32.986 570 H TYR 85 H TYR 85 -2.917 1.850 -33.030 571 HA TYR 85 HA TYR 85 -3.026 4.666 -33.897 572 HB2 TYR 85 2HB TYR 85 -0.976 3.457 -32.506 573 HB3 TYR 85 3HB TYR 85 -0.427 3.344 -34.174 574 HD1 TYR 85 HD1 TYR 85 0.036 5.211 -31.412 575 HD2 TYR 85 HD2 TYR 85 -1.172 5.750 -35.456 576 HE1 TYR 85 HE1 TYR 85 0.783 7.553 -31.317 577 HE2 TYR 85 HE2 TYR 85 -0.428 8.092 -35.373 578 HH TYR 85 HH TYR 85 1.137 9.421 -32.482 579 H ASP 86 H ASP 86 -3.358 4.973 -35.991 580 HA ASP 86 HA ASP 86 -3.850 2.975 -37.832 581 HB2 ASP 86 2HB ASP 86 -3.766 5.808 -37.840 582 HB3 ASP 86 3HB ASP 86 -2.817 5.262 -39.219 583 H ASP 87 H ASP 87 -0.839 4.767 -37.287 584 HA ASP 87 HA ASP 87 0.688 3.782 -39.367 585 HB2 ASP 87 2HB ASP 87 1.404 4.626 -36.569 586 HB3 ASP 87 3HB ASP 87 2.638 4.060 -37.692 587 H VAL 88 H VAL 88 0.767 2.503 -36.034 588 HA VAL 88 HA VAL 88 1.249 -0.171 -37.176 589 HB VAL 88 HB VAL 88 2.509 0.920 -34.656 590 HG11 VAL 88 1HG1 VAL 88 2.494 -1.300 -34.198 591 HG12 VAL 88 2HG1 VAL 88 2.367 -1.762 -35.896 592 HG13 VAL 88 3HG1 VAL 88 3.925 -1.274 -35.228 593 HG21 VAL 88 1HG2 VAL 88 4.538 0.265 -36.386 594 HG22 VAL 88 2HG2 VAL 88 3.338 0.995 -37.452 595 HG23 VAL 88 3HG2 VAL 88 3.948 1.896 -36.064 596 H GLN 89 H GLN 89 0.078 -1.815 -36.344 597 HA GLN 89 HA GLN 89 -2.180 -1.210 -34.723 598 HB2 GLN 89 2HB GLN 89 -1.185 -3.477 -36.249 599 HB3 GLN 89 3HB GLN 89 -1.923 -3.979 -34.734 600 HG2 GLN 89 2HG GLN 89 -3.258 -2.169 -36.730 601 HG3 GLN 89 3HG GLN 89 -3.468 -3.919 -36.686 602 HE21 GLN 89 1HE2 GLN 89 -5.733 -3.352 -36.404 603 HE22 GLN 89 2HE2 GLN 89 -6.320 -3.007 -34.816 604 H LEU 90 H LEU 90 -2.227 -1.022 -32.592 605 HA LEU 90 HA LEU 90 -0.101 -2.271 -31.004 606 HB2 LEU 90 2HB LEU 90 -1.545 0.224 -30.870 607 HB3 LEU 90 3HB LEU 90 -1.648 -0.648 -29.342 608 HG LEU 90 HG LEU 90 0.196 0.957 -29.354 609 HD11 LEU 90 1HD1 LEU 90 2.024 -0.661 -28.768 610 HD12 LEU 90 2HD1 LEU 90 0.950 -1.955 -29.296 611 HD13 LEU 90 3HD1 LEU 90 0.490 -0.926 -27.940 612 HD21 LEU 90 1HD2 LEU 90 1.277 -0.708 -31.625 613 HD22 LEU 90 2HD2 LEU 90 2.140 0.589 -30.798 614 HD23 LEU 90 3HD2 LEU 90 0.692 0.953 -31.737 615 H THR 91 H THR 91 -0.503 -3.827 -29.543 616 HA THR 91 HA THR 91 -3.316 -4.492 -28.971 617 HB THR 91 HB THR 91 -1.316 -6.695 -29.009 618 HG1 THR 91 HG1 THR 91 -1.321 -6.849 -31.196 619 HG21 THR 91 1HG2 THR 91 -3.431 -7.422 -28.381 620 HG22 THR 91 2HG2 THR 91 -3.408 -7.778 -30.108 621 HG23 THR 91 3HG2 THR 91 -4.247 -6.346 -29.514 622 H ALA 92 H ALA 92 -3.560 -3.873 -26.907 623 HA ALA 92 HA ALA 92 -1.481 -4.638 -24.966 624 HB1 ALA 92 1HB ALA 92 -1.796 -2.703 -23.880 625 HB2 ALA 92 2HB ALA 92 -2.552 -2.170 -25.382 626 HB3 ALA 92 3HB ALA 92 -3.550 -2.773 -24.059 627 H GLU 93 H GLU 93 -2.029 -5.730 -23.093 628 HA GLU 93 HA GLU 93 -4.724 -6.919 -23.085 629 HB2 GLU 93 2HB GLU 93 -2.030 -8.014 -22.378 630 HB3 GLU 93 3HB GLU 93 -3.460 -8.677 -21.600 631 HG2 GLU 93 2HG GLU 93 -3.656 -8.440 -24.513 632 HG3 GLU 93 3HG GLU 93 -2.416 -9.554 -23.942 633 H MET 94 H MET 94 -5.469 -7.621 -20.873 634 HA MET 94 HA MET 94 -4.949 -5.440 -18.982 635 HB2 MET 94 2HB MET 94 -7.321 -6.548 -19.915 636 HB3 MET 94 3HB MET 94 -7.150 -7.214 -18.296 637 HG2 MET 94 2HG MET 94 -7.447 -5.213 -17.288 638 HG3 MET 94 3HG MET 94 -6.676 -4.316 -18.594 639 HE1 MET 94 1HE MET 94 -10.271 -6.358 -17.943 640 HE2 MET 94 2HE MET 94 -9.578 -5.238 -16.770 641 HE3 MET 94 3HE MET 94 -10.994 -4.766 -17.710 642 H LYS 95 H LYS 95 -4.668 -5.876 -16.746 643 HA LYS 95 HA LYS 95 -2.925 -8.004 -16.175 644 HB2 LYS 95 2HB LYS 95 -3.199 -7.308 -13.803 645 HB3 LYS 95 3HB LYS 95 -2.833 -5.969 -14.883 646 HG2 LYS 95 2HG LYS 95 -5.264 -5.434 -14.934 647 HG3 LYS 95 3HG LYS 95 -5.509 -6.675 -13.703 648 HD2 LYS 95 2HD LYS 95 -4.150 -5.487 -12.136 649 HD3 LYS 95 3HD LYS 95 -3.630 -4.341 -13.373 650 HE2 LYS 95 2HE LYS 95 -5.363 -3.034 -12.911 651 HE3 LYS 95 3HE LYS 95 -6.474 -4.349 -13.290 652 HZ1 LYS 95 1HZ LYS 95 -6.106 -3.201 -10.840 653 HZ2 LYS 95 2HZ LYS 95 -5.269 -4.666 -10.721 654 HZ3 LYS 95 3HZ LYS 95 -6.906 -4.660 -11.147 655 H THR 96 H THR 96 -6.377 -7.566 -15.547 656 HA THR 96 HA THR 96 -6.833 -9.795 -13.948 657 HB THR 96 HB THR 96 -8.713 -8.642 -16.018 658 HG1 THR 96 HG1 THR 96 -8.899 -7.026 -14.675 659 HG21 THR 96 1HG2 THR 96 -9.186 -10.371 -13.590 660 HG22 THR 96 2HG2 THR 96 -9.521 -10.775 -15.274 661 HG23 THR 96 3HG2 THR 96 -10.463 -9.525 -14.463 662 H THR 97 H THR 97 -6.847 -9.519 -17.484 663 HA THR 97 HA THR 97 -7.698 -12.082 -18.127 664 HB THR 97 HB THR 97 -5.565 -10.665 -19.711 665 HG1 THR 97 HG1 THR 97 -6.907 -9.035 -19.826 666 HG21 THR 97 1HG2 THR 97 -6.734 -13.010 -20.209 667 HG22 THR 97 2HG2 THR 97 -6.297 -11.885 -21.495 668 HG23 THR 97 3HG2 THR 97 -7.958 -11.951 -20.908 669 H TYR 98 H TYR 98 -4.364 -10.915 -17.675 670 HA TYR 98 HA TYR 98 -3.078 -13.356 -18.138 671 HB2 TYR 98 2HB TYR 98 -2.355 -10.810 -16.776 672 HB3 TYR 98 3HB TYR 98 -1.342 -12.214 -16.463 673 HD1 TYR 98 HD1 TYR 98 -2.197 -9.619 -18.814 674 HD2 TYR 98 HD2 TYR 98 -0.219 -13.362 -18.395 675 HE1 TYR 98 HE1 TYR 98 -0.996 -9.213 -20.922 676 HE2 TYR 98 HE2 TYR 98 0.989 -12.966 -20.501 677 HH TYR 98 HH TYR 98 0.549 -11.550 -22.636 678 H LEU 99 H LEU 99 -4.131 -11.875 -15.081 679 HA LEU 99 HA LEU 99 -3.220 -13.782 -13.308 680 HB2 LEU 99 2HB LEU 99 -4.313 -11.601 -12.755 681 HB3 LEU 99 3HB LEU 99 -5.867 -12.356 -13.106 682 HG LEU 99 HG LEU 99 -4.588 -14.012 -11.223 683 HD11 LEU 99 1HD1 LEU 99 -3.070 -12.224 -10.664 684 HD12 LEU 99 2HD1 LEU 99 -4.241 -12.428 -9.362 685 HD13 LEU 99 3HD1 LEU 99 -4.412 -11.091 -10.499 686 HD21 LEU 99 1HD2 LEU 99 -6.693 -11.997 -10.537 687 HD22 LEU 99 2HD2 LEU 99 -6.518 -13.663 -9.984 688 HD23 LEU 99 3HD2 LEU 99 -7.047 -13.332 -11.634 689 H GLU 100 H GLU 100 -6.295 -13.737 -15.085 690 HA GLU 100 HA GLU 100 -7.309 -16.133 -13.986 691 HB2 GLU 100 2HB GLU 100 -8.377 -14.194 -15.513 692 HB3 GLU 100 3HB GLU 100 -8.082 -15.403 -16.754 693 HG2 GLU 100 2HG GLU 100 -9.306 -16.603 -14.446 694 HG3 GLU 100 3HG GLU 100 -10.261 -15.239 -15.025 695 H ARG 101 H ARG 101 -5.376 -15.445 -16.859 696 HA ARG 101 HA ARG 101 -5.468 -17.939 -18.084 697 HB2 ARG 101 2HB ARG 101 -4.128 -15.553 -18.517 698 HB3 ARG 101 3HB ARG 101 -2.830 -16.702 -18.224 699 HG2 ARG 101 2HG ARG 101 -3.031 -16.992 -20.454 700 HG3 ARG 101 3HG ARG 101 -4.264 -18.145 -19.940 701 HD2 ARG 101 2HD ARG 101 -5.873 -16.973 -20.933 702 HD3 ARG 101 3HD ARG 101 -5.360 -15.487 -20.134 703 HE ARG 101 HE ARG 101 -4.394 -14.852 -22.094 704 HH11 ARG 101 1HH1 ARG 101 -4.708 -18.319 -22.097 705 HH12 ARG 101 2HH1 ARG 101 -4.121 -18.501 -23.716 706 HH21 ARG 101 1HH2 ARG 101 -3.619 -15.079 -24.227 707 HH22 ARG 101 2HH2 ARG 101 -3.500 -16.658 -24.927 708 H LYS 102 H LYS 102 -2.932 -16.723 -15.886 709 HA LYS 102 HA LYS 102 -1.569 -19.165 -15.641 710 HB2 LYS 102 2HB LYS 102 -0.544 -18.152 -13.621 711 HB3 LYS 102 3HB LYS 102 -0.505 -17.086 -15.019 712 HG2 LYS 102 2HG LYS 102 -2.532 -15.948 -14.111 713 HG3 LYS 102 3HG LYS 102 -2.353 -16.924 -12.651 714 HD2 LYS 102 2HD LYS 102 -0.122 -15.214 -13.717 715 HD3 LYS 102 3HD LYS 102 -1.348 -14.579 -12.617 716 HE2 LYS 102 2HE LYS 102 -0.555 -16.929 -11.410 717 HE3 LYS 102 3HE LYS 102 0.945 -16.289 -12.077 718 HZ1 LYS 102 1HZ LYS 102 0.898 -14.497 -10.712 719 HZ2 LYS 102 2HZ LYS 102 0.051 -15.572 -9.719 720 HZ3 LYS 102 3HZ LYS 102 -0.791 -14.431 -10.640 721 H ALA 103 H ALA 103 -4.168 -17.733 -13.718 722 HA ALA 103 HA ALA 103 -4.239 -19.511 -11.596 723 HB1 ALA 103 1HB ALA 103 -6.287 -17.818 -12.941 724 HB2 ALA 103 2HB ALA 103 -6.811 -18.995 -11.737 725 HB3 ALA 103 3HB ALA 103 -5.657 -17.736 -11.296 726 H GLU 104 H GLU 104 -5.801 -19.782 -14.773 727 HA GLU 104 HA GLU 104 -7.033 -22.292 -14.192 728 HB2 GLU 104 2HB GLU 104 -7.940 -20.758 -15.883 729 HB3 GLU 104 3HB GLU 104 -6.488 -20.963 -16.852 730 HG2 GLU 104 2HG GLU 104 -7.895 -23.444 -16.135 731 HG3 GLU 104 3HG GLU 104 -8.760 -22.355 -17.218 732 H GLU 105 H GLU 105 -4.034 -21.282 -15.726 733 HA GLU 105 HA GLU 105 -3.257 -23.695 -16.878 734 HB2 GLU 105 2HB GLU 105 -2.110 -21.534 -17.241 735 HB3 GLU 105 3HB GLU 105 -1.473 -21.614 -15.604 736 HG2 GLU 105 2HG GLU 105 -0.405 -23.811 -16.287 737 HG3 GLU 105 3HG GLU 105 -0.811 -23.368 -17.944 738 H ILE 106 H ILE 106 -2.201 -22.403 -13.722 739 HA ILE 106 HA ILE 106 -0.927 -24.748 -12.864 740 HB ILE 106 HB ILE 106 -0.518 -22.594 -11.795 741 HG12 ILE 106 2HG1 ILE 106 -1.653 -24.028 -9.492 742 HG13 ILE 106 3HG1 ILE 106 -0.668 -25.029 -10.552 743 HG21 ILE 106 1HG2 ILE 106 -2.098 -21.472 -10.436 744 HG22 ILE 106 2HG2 ILE 106 -2.927 -21.860 -11.943 745 HG23 ILE 106 3HG2 ILE 106 -3.223 -22.829 -10.501 746 HD11 ILE 106 1HD1 ILE 106 0.108 -22.742 -8.834 747 HD12 ILE 106 2HD1 ILE 106 0.926 -24.279 -9.119 748 HD13 ILE 106 3HD1 ILE 106 1.000 -23.002 -10.333 749 H ALA 107 H ALA 107 -4.265 -23.692 -12.633 750 HA ALA 107 HA ALA 107 -5.228 -25.470 -10.725 751 HB1 ALA 107 1HB ALA 107 -7.035 -24.267 -11.182 752 HB2 ALA 107 2HB ALA 107 -6.341 -23.716 -12.707 753 HB3 ALA 107 3HB ALA 107 -7.251 -25.226 -12.647 754 H ALA 108 H ALA 108 -4.753 -25.922 -14.203 755 HA ALA 108 HA ALA 108 -5.938 -28.480 -14.372 756 HB1 ALA 108 1HB ALA 108 -3.789 -27.290 -16.121 757 HB2 ALA 108 2HB ALA 108 -4.822 -28.663 -16.522 758 HB3 ALA 108 3HB ALA 108 -5.525 -27.057 -16.327 759 H LYS 109 H LYS 109 -2.631 -27.415 -13.734 760 HA LYS 109 HA LYS 109 -1.387 -29.929 -13.845 761 HB2 LYS 109 2HB LYS 109 -0.656 -27.493 -12.209 762 HB3 LYS 109 3HB LYS 109 0.396 -28.877 -12.478 763 HG2 LYS 109 2HG LYS 109 -0.710 -27.500 -14.861 764 HG3 LYS 109 3HG LYS 109 0.555 -26.682 -13.941 765 HD2 LYS 109 2HD LYS 109 0.836 -29.537 -14.835 766 HD3 LYS 109 3HD LYS 109 1.284 -28.185 -15.879 767 HE2 LYS 109 2HE LYS 109 2.348 -28.497 -13.083 768 HE3 LYS 109 3HE LYS 109 3.138 -29.221 -14.483 769 HZ1 LYS 109 1HZ LYS 109 4.170 -27.146 -14.078 770 HZ2 LYS 109 2HZ LYS 109 2.689 -26.338 -13.960 771 HZ3 LYS 109 3HZ LYS 109 3.207 -26.938 -15.454 772 H LYS 110 H LYS 110 -2.457 -28.088 -10.981 773 HA LYS 110 HA LYS 110 -2.116 -30.365 -9.258 774 HB2 LYS 110 2HB LYS 110 -2.526 -27.540 -8.950 775 HB3 LYS 110 3HB LYS 110 -3.704 -28.408 -7.974 776 HG2 LYS 110 2HG LYS 110 -1.663 -29.772 -7.158 777 HG3 LYS 110 3HG LYS 110 -0.723 -28.418 -7.788 778 HD2 LYS 110 2HD LYS 110 -2.876 -27.352 -6.280 779 HD3 LYS 110 3HD LYS 110 -2.120 -28.622 -5.315 780 HE2 LYS 110 2HE LYS 110 -0.522 -26.479 -6.689 781 HE3 LYS 110 3HE LYS 110 -1.189 -26.263 -5.072 782 HZ1 LYS 110 1HZ LYS 110 0.449 -27.459 -4.211 783 HZ2 LYS 110 2HZ LYS 110 1.199 -27.461 -5.727 784 HZ3 LYS 110 3HZ LYS 110 0.183 -28.740 -5.284 Start of MODEL 17 1 H1 THR 12 H THR 12 0.627 0.658 0.319 2 HA THR 12 HA THR 12 2.154 0.486 -1.377 3 HB THR 12 HB THR 12 2.682 -1.988 -2.142 4 HG1 THR 12 HG1 THR 12 1.313 -3.221 -1.010 5 HG21 THR 12 1HG2 THR 12 4.592 -1.688 -1.002 6 HG22 THR 12 2HG2 THR 12 3.757 -1.620 0.550 7 HG23 THR 12 3HG2 THR 12 3.871 -0.175 -0.455 8 H ASP 13 H ASP 13 1.934 0.622 -3.561 9 HA ASP 13 HA ASP 13 -0.309 -0.794 -4.819 10 HB2 ASP 13 2HB ASP 13 -0.986 1.233 -6.006 11 HB3 ASP 13 3HB ASP 13 -1.077 1.479 -4.264 12 H HIS 14 H HIS 14 0.180 -1.681 -6.728 13 HA HIS 14 HA HIS 14 2.530 -0.688 -8.186 14 HB2 HIS 14 2HB HIS 14 3.148 -3.059 -8.685 15 HB3 HIS 14 3HB HIS 14 3.319 -2.624 -6.988 16 HD1 HIS 14 HD1 HIS 14 1.204 -3.409 -5.440 17 HD2 HIS 14 HD2 HIS 14 1.678 -5.299 -9.110 18 HE1 HIS 14 HE1 HIS 14 -0.142 -5.527 -5.285 19 H GLN 15 H GLN 15 2.226 -0.461 -10.318 20 HA GLN 15 HA GLN 15 -0.100 -1.789 -11.540 21 HB2 GLN 15 2HB GLN 15 -0.512 0.232 -12.868 22 HB3 GLN 15 3HB GLN 15 -0.644 0.558 -11.145 23 HG2 GLN 15 2HG GLN 15 1.890 1.231 -11.439 24 HG3 GLN 15 3HG GLN 15 1.377 1.487 -13.106 25 HE21 GLN 15 1HE2 GLN 15 2.294 3.538 -11.478 26 HE22 GLN 15 2HE2 GLN 15 0.991 4.628 -11.164 27 H THR 16 H THR 16 0.266 -2.794 -13.425 28 HA THR 16 HA THR 16 2.530 -2.062 -15.089 29 HB THR 16 HB THR 16 2.319 -4.920 -14.149 30 HG1 THR 16 HG1 THR 16 3.909 -2.788 -13.135 31 HG21 THR 16 1HG2 THR 16 3.467 -4.744 -16.225 32 HG22 THR 16 2HG2 THR 16 4.705 -4.927 -14.982 33 HG23 THR 16 3HG2 THR 16 4.380 -3.339 -15.677 34 H VAL 17 H VAL 17 2.022 -2.273 -17.175 35 HA VAL 17 HA VAL 17 -0.327 -3.914 -17.864 36 HB VAL 17 HB VAL 17 0.760 -1.577 -19.435 37 HG11 VAL 17 1HG1 VAL 17 -0.516 -2.564 -21.001 38 HG12 VAL 17 2HG1 VAL 17 -1.410 -3.521 -19.818 39 HG13 VAL 17 3HG1 VAL 17 -1.851 -1.838 -20.107 40 HG21 VAL 17 1HG2 VAL 17 -0.016 -0.421 -17.637 41 HG22 VAL 17 2HG2 VAL 17 -1.543 -0.626 -18.495 42 HG23 VAL 17 3HG2 VAL 17 -1.133 -1.698 -17.156 43 H TYR 18 H TYR 18 -0.286 -5.170 -19.750 44 HA TYR 18 HA TYR 18 2.424 -5.778 -20.728 45 HB2 TYR 18 2HB TYR 18 0.029 -7.611 -20.848 46 HB3 TYR 18 3HB TYR 18 1.718 -8.028 -21.111 47 HD1 TYR 18 HD1 TYR 18 3.237 -8.318 -19.234 48 HD2 TYR 18 HD2 TYR 18 -0.849 -7.314 -18.602 49 HE1 TYR 18 HE1 TYR 18 3.462 -8.922 -16.861 50 HE2 TYR 18 HE2 TYR 18 -0.635 -7.914 -16.226 51 HH TYR 18 HH TYR 18 0.761 -9.259 -14.787 52 H VAL 19 H VAL 19 2.876 -5.392 -22.791 53 HA VAL 19 HA VAL 19 0.643 -5.110 -24.695 54 HB VAL 19 HB VAL 19 3.179 -3.472 -24.756 55 HG11 VAL 19 1HG1 VAL 19 0.762 -3.680 -26.474 56 HG12 VAL 19 2HG1 VAL 19 1.500 -2.092 -26.260 57 HG13 VAL 19 3HG1 VAL 19 2.448 -3.424 -26.920 58 HG21 VAL 19 1HG2 VAL 19 2.294 -2.171 -23.188 59 HG22 VAL 19 2HG2 VAL 19 0.959 -1.818 -24.284 60 HG23 VAL 19 3HG2 VAL 19 0.830 -3.153 -23.139 61 H LYS 20 H LYS 20 1.019 -5.781 -26.819 62 HA LYS 20 HA LYS 20 2.516 -8.066 -27.203 63 HB2 LYS 20 2HB LYS 20 2.311 -7.481 -29.690 64 HB3 LYS 20 3HB LYS 20 0.820 -7.652 -28.773 65 HG2 LYS 20 2HG LYS 20 0.239 -5.518 -29.092 66 HG3 LYS 20 3HG LYS 20 1.880 -4.927 -28.819 67 HD2 LYS 20 2HD LYS 20 1.375 -6.423 -31.329 68 HD3 LYS 20 3HD LYS 20 0.683 -4.804 -31.201 69 HE2 LYS 20 2HE LYS 20 3.358 -4.710 -30.244 70 HE3 LYS 20 3HE LYS 20 3.359 -5.552 -31.793 71 HZ1 LYS 20 1HZ LYS 20 1.701 -3.408 -32.168 72 HZ2 LYS 20 2HZ LYS 20 3.294 -3.550 -32.718 73 HZ3 LYS 20 3HZ LYS 20 2.973 -2.781 -31.246 74 HA PRO 21 HA PRO 21 6.698 -6.896 -27.834 75 HB2 PRO 21 2HB PRO 21 7.480 -8.653 -29.750 76 HB3 PRO 21 3HB PRO 21 7.173 -9.131 -28.076 77 HG2 PRO 21 2HG PRO 21 5.398 -9.382 -30.473 78 HG3 PRO 21 3HG PRO 21 5.705 -10.556 -29.180 79 HD2 PRO 21 2HD PRO 21 3.483 -9.009 -29.246 80 HD3 PRO 21 3HD PRO 21 4.241 -9.527 -27.727 81 H VAL 22 H VAL 22 8.273 -6.135 -29.454 82 HA VAL 22 HA VAL 22 6.910 -4.752 -31.666 83 HB VAL 22 HB VAL 22 8.963 -3.246 -31.613 84 HG11 VAL 22 1HG1 VAL 22 6.581 -3.231 -30.109 85 HG12 VAL 22 2HG1 VAL 22 7.862 -2.648 -29.043 86 HG13 VAL 22 3HG1 VAL 22 7.570 -1.853 -30.590 87 HG21 VAL 22 1HG2 VAL 22 10.314 -3.199 -29.652 88 HG22 VAL 22 2HG2 VAL 22 9.315 -4.417 -28.859 89 HG23 VAL 22 3HG2 VAL 22 10.313 -4.860 -30.244 90 HA PRO 23 HA PRO 23 9.265 -6.895 -34.688 91 HB2 PRO 23 2HB PRO 23 9.612 -4.964 -36.564 92 HB3 PRO 23 3HB PRO 23 8.057 -5.751 -36.272 93 HG2 PRO 23 2HG PRO 23 9.049 -3.098 -35.303 94 HG3 PRO 23 3HG PRO 23 7.454 -3.529 -35.948 95 HD2 PRO 23 2HD PRO 23 7.934 -3.278 -33.294 96 HD3 PRO 23 3HD PRO 23 6.749 -4.428 -33.946 97 HA PRO 24 HA PRO 24 13.585 -6.169 -34.317 98 HB2 PRO 24 2HB PRO 24 14.521 -6.840 -36.775 99 HB3 PRO 24 3HB PRO 24 13.923 -8.034 -35.616 100 HG2 PRO 24 2HG PRO 24 12.529 -6.810 -37.965 101 HG3 PRO 24 3HG PRO 24 12.542 -8.500 -37.428 102 HD2 PRO 24 2HD PRO 24 10.480 -6.822 -36.910 103 HD3 PRO 24 3HD PRO 24 10.952 -8.126 -35.802 104 H THR 25 H THR 25 11.817 -4.477 -36.764 105 HA THR 25 HA THR 25 14.008 -2.736 -37.494 106 HB THR 25 HB THR 25 11.071 -2.482 -38.170 107 HG1 THR 25 HG1 THR 25 13.233 -3.802 -39.452 108 HG21 THR 25 1HG2 THR 25 13.444 -0.873 -38.771 109 HG22 THR 25 2HG2 THR 25 11.734 -0.452 -38.871 110 HG23 THR 25 3HG2 THR 25 12.505 -1.326 -40.194 111 H ALA 26 H ALA 26 11.165 -2.630 -35.430 112 HA ALA 26 HA ALA 26 11.072 0.102 -34.886 113 HB1 ALA 26 1HB ALA 26 10.059 -0.663 -32.668 114 HB2 ALA 26 2HB ALA 26 9.248 -1.166 -34.151 115 HB3 ALA 26 3HB ALA 26 10.276 -2.304 -33.279 116 H THR 27 H THR 27 12.716 1.317 -34.224 117 HA THR 27 HA THR 27 14.833 0.216 -32.583 118 HB THR 27 HB THR 27 15.679 2.660 -32.723 119 HG1 THR 27 HG1 THR 27 14.763 3.826 -34.460 120 HG21 THR 27 1HG2 THR 27 15.667 1.770 -35.482 121 HG22 THR 27 2HG2 THR 27 15.974 0.437 -34.368 122 HG23 THR 27 3HG2 THR 27 17.004 1.868 -34.337 123 H LEU 28 H LEU 28 15.650 1.717 -30.758 124 HA LEU 28 HA LEU 28 13.604 1.830 -28.780 125 HB2 LEU 28 2HB LEU 28 16.244 1.490 -28.651 126 HB3 LEU 28 3HB LEU 28 16.185 3.224 -28.345 127 HG LEU 28 HG LEU 28 14.502 1.350 -26.727 128 HD11 LEU 28 1HD1 LEU 28 17.400 1.442 -26.785 129 HD12 LEU 28 2HD1 LEU 28 16.319 0.321 -25.958 130 HD13 LEU 28 3HD1 LEU 28 16.746 1.854 -25.199 131 HD21 LEU 28 1HD2 LEU 28 15.647 4.104 -26.399 132 HD22 LEU 28 2HD2 LEU 28 15.069 3.172 -25.018 133 HD23 LEU 28 3HD2 LEU 28 13.962 3.588 -26.327 134 H GLU 29 H GLU 29 15.509 4.309 -30.473 135 HA GLU 29 HA GLU 29 14.333 6.530 -29.201 136 HB2 GLU 29 2HB GLU 29 16.421 6.230 -30.873 137 HB3 GLU 29 3HB GLU 29 15.226 6.832 -32.012 138 HG2 GLU 29 2HG GLU 29 15.582 8.896 -31.319 139 HG3 GLU 29 3HG GLU 29 15.105 8.445 -29.683 140 H GLN 30 H GLN 30 13.450 4.701 -32.077 141 HA GLN 30 HA GLN 30 11.451 6.463 -33.015 142 HB2 GLN 30 2HB GLN 30 12.439 4.713 -34.421 143 HB3 GLN 30 3HB GLN 30 11.715 3.476 -33.402 144 HG2 GLN 30 2HG GLN 30 9.971 3.488 -34.758 145 HG3 GLN 30 3HG GLN 30 9.592 5.103 -34.162 146 HE21 GLN 30 1HE2 GLN 30 9.994 3.363 -36.871 147 HE22 GLN 30 2HE2 GLN 30 10.483 4.606 -37.967 148 H LEU 31 H LEU 31 11.271 3.544 -30.994 149 HA LEU 31 HA LEU 31 8.491 3.524 -30.652 150 HB2 LEU 31 2HB LEU 31 10.713 2.071 -29.696 151 HB3 LEU 31 3HB LEU 31 9.795 2.591 -28.284 152 HG LEU 31 HG LEU 31 8.795 0.912 -30.581 153 HD11 LEU 31 1HD1 LEU 31 9.518 0.364 -27.727 154 HD12 LEU 31 2HD1 LEU 31 10.010 -0.495 -29.186 155 HD13 LEU 31 3HD1 LEU 31 8.359 -0.652 -28.585 156 HD21 LEU 31 1HD2 LEU 31 6.904 2.113 -30.061 157 HD22 LEU 31 2HD2 LEU 31 7.371 2.328 -28.373 158 HD23 LEU 31 3HD2 LEU 31 6.774 0.764 -28.932 159 H THR 32 H THR 32 11.033 4.887 -28.566 160 HA THR 32 HA THR 32 9.372 5.922 -26.579 161 HB THR 32 HB THR 32 12.018 7.024 -27.545 162 HG1 THR 32 HG1 THR 32 11.327 5.106 -25.556 163 HG21 THR 32 1HG2 THR 32 10.294 7.635 -25.178 164 HG22 THR 32 2HG2 THR 32 11.194 8.735 -26.222 165 HG23 THR 32 3HG2 THR 32 12.048 7.748 -25.036 166 H GLU 33 H GLU 33 10.501 7.386 -29.602 167 HA GLU 33 HA GLU 33 9.468 9.954 -29.207 168 HB2 GLU 33 2HB GLU 33 11.037 9.114 -31.052 169 HB3 GLU 33 3HB GLU 33 9.583 8.594 -31.892 170 HG2 GLU 33 2HG GLU 33 9.665 10.624 -32.818 171 HG3 GLU 33 3HG GLU 33 8.938 11.153 -31.302 172 H PHE 34 H PHE 34 8.030 7.258 -31.051 173 HA PHE 34 HA PHE 34 5.610 8.441 -31.670 174 HB2 PHE 34 2HB PHE 34 6.528 5.628 -31.334 175 HB3 PHE 34 3HB PHE 34 4.794 5.914 -31.429 176 HD1 PHE 34 HD1 PHE 34 7.917 6.944 -33.195 177 HD2 PHE 34 HD2 PHE 34 3.826 5.810 -33.502 178 HE1 PHE 34 HE1 PHE 34 8.076 7.049 -35.648 179 HE2 PHE 34 HE2 PHE 34 3.978 5.911 -35.956 180 HZ PHE 34 HZ PHE 34 6.105 6.531 -37.032 181 H PHE 35 H PHE 35 6.484 6.591 -28.773 182 HA PHE 35 HA PHE 35 3.997 6.541 -27.533 183 HB2 PHE 35 2HB PHE 35 6.689 5.932 -26.825 184 HB3 PHE 35 3HB PHE 35 5.995 6.901 -25.529 185 HD1 PHE 35 HD1 PHE 35 6.526 3.669 -26.575 186 HD2 PHE 35 HD2 PHE 35 3.450 6.140 -24.978 187 HE1 PHE 35 HE1 PHE 35 5.377 1.673 -25.708 188 HE2 PHE 35 HE2 PHE 35 2.297 4.148 -24.107 189 HZ PHE 35 HZ PHE 35 3.261 1.911 -24.471 190 H SER 36 H SER 36 6.627 8.902 -27.064 191 HA SER 36 HA SER 36 5.310 10.592 -25.295 192 HB2 SER 36 2HB SER 36 7.718 10.655 -26.850 193 HB3 SER 36 3HB SER 36 6.913 12.219 -26.980 194 HG SER 36 HG SER 36 7.790 10.876 -24.653 195 H LYS 37 H LYS 37 5.197 10.463 -28.810 196 HA LYS 37 HA LYS 37 3.841 12.867 -29.282 197 HB2 LYS 37 2HB LYS 37 4.899 11.032 -30.896 198 HB3 LYS 37 3HB LYS 37 3.227 10.493 -30.976 199 HG2 LYS 37 2HG LYS 37 2.839 13.092 -31.420 200 HG3 LYS 37 3HG LYS 37 4.486 12.946 -32.040 201 HD2 LYS 37 2HD LYS 37 2.247 11.107 -32.863 202 HD3 LYS 37 3HD LYS 37 2.638 12.596 -33.726 203 HE2 LYS 37 2HE LYS 37 4.641 10.410 -33.198 204 HE3 LYS 37 3HE LYS 37 3.659 10.491 -34.660 205 HZ1 LYS 37 1HZ LYS 37 5.065 11.948 -35.520 206 HZ2 LYS 37 2HZ LYS 37 6.066 11.776 -34.167 207 HZ3 LYS 37 3HZ LYS 37 4.886 12.988 -34.197 208 H HIS 38 H HIS 38 2.679 9.686 -28.352 209 HA HIS 38 HA HIS 38 0.089 10.859 -27.706 210 HB2 HIS 38 2HB HIS 38 0.071 9.796 -30.056 211 HB3 HIS 38 3HB HIS 38 0.173 8.254 -29.211 212 HD1 HIS 38 HD1 HIS 38 -1.864 7.754 -27.519 213 HD2 HIS 38 HD2 HIS 38 -2.446 10.830 -30.250 214 HE1 HIS 38 HE1 HIS 38 -4.347 8.152 -27.565 215 H GLY 39 H GLY 39 -0.120 10.439 -25.608 216 HA2 GLY 39 2HA GLY 39 -0.671 8.896 -23.877 217 HA3 GLY 39 3HA GLY 39 0.292 7.677 -24.698 218 H THR 40 H THR 40 0.277 8.873 -21.900 219 HA THR 40 HA THR 40 3.121 9.644 -21.806 220 HB THR 40 HB THR 40 1.298 10.170 -19.499 221 HG1 THR 40 HG1 THR 40 1.537 12.047 -21.604 222 HG21 THR 40 1HG2 THR 40 3.239 11.052 -18.814 223 HG22 THR 40 2HG2 THR 40 2.928 12.352 -19.965 224 HG23 THR 40 3HG2 THR 40 3.932 10.981 -20.434 225 H VAL 41 H VAL 41 4.412 8.091 -21.092 226 HA VAL 41 HA VAL 41 3.364 6.195 -19.091 227 HB VAL 41 HB VAL 41 4.869 4.498 -19.980 228 HG11 VAL 41 1HG1 VAL 41 3.540 3.876 -21.742 229 HG12 VAL 41 2HG1 VAL 41 2.519 5.103 -20.989 230 HG13 VAL 41 3HG1 VAL 41 3.478 5.505 -22.414 231 HG21 VAL 41 1HG2 VAL 41 6.675 5.117 -21.118 232 HG22 VAL 41 2HG2 VAL 41 5.629 5.518 -22.480 233 HG23 VAL 41 3HG2 VAL 41 6.053 6.758 -21.301 234 H GLN 42 H GLN 42 4.730 5.562 -17.412 235 HA GLN 42 HA GLN 42 6.662 7.533 -16.626 236 HB2 GLN 42 2HB GLN 42 5.034 6.230 -15.115 237 HB3 GLN 42 3HB GLN 42 6.193 4.912 -15.228 238 HG2 GLN 42 2HG GLN 42 7.743 7.103 -14.569 239 HG3 GLN 42 3HG GLN 42 6.269 7.320 -13.627 240 HE21 GLN 42 1HE2 GLN 42 6.800 6.728 -11.635 241 HE22 GLN 42 2HE2 GLN 42 7.523 5.222 -11.195 242 H ALA 43 H ALA 43 6.828 4.024 -17.235 243 HA ALA 43 HA ALA 43 9.451 4.314 -18.408 244 HB1 ALA 43 1HB ALA 43 9.810 4.189 -15.905 245 HB2 ALA 43 2HB ALA 43 9.225 2.528 -16.000 246 HB3 ALA 43 3HB ALA 43 10.678 3.003 -16.879 247 H VAL 44 H VAL 44 10.275 2.228 -19.251 248 HA VAL 44 HA VAL 44 8.291 0.109 -19.515 249 HB VAL 44 HB VAL 44 7.761 1.576 -21.387 250 HG11 VAL 44 1HG1 VAL 44 10.669 1.250 -22.108 251 HG12 VAL 44 2HG1 VAL 44 9.446 1.930 -23.183 252 HG13 VAL 44 3HG1 VAL 44 9.840 2.742 -21.667 253 HG21 VAL 44 1HG2 VAL 44 7.742 -0.952 -21.589 254 HG22 VAL 44 2HG2 VAL 44 7.780 -0.046 -23.102 255 HG23 VAL 44 3HG2 VAL 44 9.253 -0.793 -22.484 256 H TRP 45 H TRP 45 9.161 -1.892 -19.937 257 HA TRP 45 HA TRP 45 11.840 -2.262 -20.848 258 HB2 TRP 45 2HB TRP 45 11.439 -1.897 -18.029 259 HB3 TRP 45 3HB TRP 45 11.960 -3.552 -18.332 260 HD1 TRP 45 HD1 TRP 45 14.266 -3.653 -20.040 261 HE1 TRP 45 HE1 TRP 45 16.390 -2.215 -19.826 262 HE3 TRP 45 HE3 TRP 45 12.363 0.197 -17.267 263 HZ2 TRP 45 HZ2 TRP 45 17.157 0.227 -18.637 264 HZ3 TRP 45 HZ3 TRP 45 13.858 2.045 -16.633 265 HH2 TRP 45 HH2 TRP 45 16.206 2.058 -17.304 266 H ARG 46 H ARG 46 12.494 -4.657 -20.526 267 HA ARG 46 HA ARG 46 10.305 -6.510 -20.234 268 HB2 ARG 46 2HB ARG 46 10.538 -7.451 -22.516 269 HB3 ARG 46 3HB ARG 46 9.903 -5.811 -22.514 270 HG2 ARG 46 2HG ARG 46 12.833 -6.214 -22.839 271 HG3 ARG 46 3HG ARG 46 11.763 -6.540 -24.204 272 HD2 ARG 46 2HD ARG 46 11.115 -4.040 -22.890 273 HD3 ARG 46 3HD ARG 46 12.788 -4.076 -23.446 274 HE ARG 46 HE ARG 46 11.276 -5.002 -25.552 275 HH11 ARG 46 1HH1 ARG 46 11.458 -2.089 -23.654 276 HH12 ARG 46 2HH1 ARG 46 10.928 -1.060 -24.943 277 HH21 ARG 46 1HH2 ARG 46 10.578 -3.657 -27.258 278 HH22 ARG 46 2HH2 ARG 46 10.427 -1.953 -26.992 279 H ARG 47 H ARG 47 10.991 -8.563 -19.786 280 HA ARG 47 HA ARG 47 13.778 -9.278 -20.233 281 HB2 ARG 47 2HB ARG 47 14.208 -9.840 -17.924 282 HB3 ARG 47 3HB ARG 47 13.721 -8.154 -18.022 283 HG2 ARG 47 2HG ARG 47 11.362 -9.609 -17.620 284 HG3 ARG 47 3HG ARG 47 12.560 -10.298 -16.521 285 HD2 ARG 47 2HD ARG 47 13.052 -8.062 -15.659 286 HD3 ARG 47 3HD ARG 47 11.859 -7.374 -16.761 287 HE ARG 47 HE ARG 47 10.700 -9.378 -15.116 288 HH11 ARG 47 1HH1 ARG 47 11.802 -6.075 -15.097 289 HH12 ARG 47 2HH1 ARG 47 10.728 -5.587 -13.829 290 HH21 ARG 47 1HH2 ARG 47 9.281 -8.747 -13.446 291 HH22 ARG 47 2HH2 ARG 47 9.295 -7.108 -12.889 292 H TYR 48 H TYR 48 14.200 -11.576 -19.683 293 HA TYR 48 HA TYR 48 11.825 -13.266 -19.543 294 HB2 TYR 48 2HB TYR 48 12.584 -14.618 -21.481 295 HB3 TYR 48 3HB TYR 48 12.131 -12.977 -21.931 296 HD1 TYR 48 HD1 TYR 48 14.753 -15.444 -21.912 297 HD2 TYR 48 HD2 TYR 48 13.954 -11.288 -22.352 298 HE1 TYR 48 HE1 TYR 48 16.944 -15.142 -22.988 299 HE2 TYR 48 HE2 TYR 48 16.142 -10.975 -23.430 300 HH TYR 48 HH TYR 48 18.125 -11.935 -23.884 301 H PHE 49 H PHE 49 12.179 -14.760 -18.055 302 HA PHE 49 HA PHE 49 14.854 -15.315 -17.126 303 HB2 PHE 49 2HB PHE 49 12.118 -15.757 -16.162 304 HB3 PHE 49 3HB PHE 49 13.221 -17.079 -15.797 305 HD1 PHE 49 HD1 PHE 49 12.584 -13.486 -15.318 306 HD2 PHE 49 HD2 PHE 49 14.935 -16.844 -14.173 307 HE1 PHE 49 HE1 PHE 49 13.474 -12.209 -13.413 308 HE2 PHE 49 HE2 PHE 49 15.828 -15.573 -12.266 309 HZ PHE 49 HZ PHE 49 15.097 -13.253 -11.883 310 H ALA 50 H ALA 50 16.120 -16.810 -17.984 311 HA ALA 50 HA ALA 50 15.081 -18.796 -19.792 312 HB1 ALA 50 1HB ALA 50 17.163 -17.792 -20.371 313 HB2 ALA 50 2HB ALA 50 17.867 -18.212 -18.809 314 HB3 ALA 50 3HB ALA 50 17.481 -19.480 -19.972 315 H GLY 51 H GLY 51 16.268 -18.699 -16.492 316 HA2 GLY 51 2HA GLY 51 15.778 -20.248 -14.812 317 HA3 GLY 51 3HA GLY 51 15.181 -21.355 -16.040 318 H LYS 52 H LYS 52 17.590 -20.841 -13.841 319 HA LYS 52 HA LYS 52 19.297 -22.833 -15.154 320 HB2 LYS 52 2HB LYS 52 20.189 -20.435 -15.366 321 HB3 LYS 52 3HB LYS 52 20.476 -20.516 -13.633 322 HG2 LYS 52 2HG LYS 52 22.522 -21.085 -14.583 323 HG3 LYS 52 3HG LYS 52 21.810 -22.637 -14.136 324 HD2 LYS 52 2HD LYS 52 21.059 -21.800 -16.817 325 HD3 LYS 52 3HD LYS 52 22.807 -21.945 -16.621 326 HE2 LYS 52 2HE LYS 52 20.910 -24.093 -15.716 327 HE3 LYS 52 3HE LYS 52 21.529 -24.026 -17.366 328 HZ1 LYS 52 1HZ LYS 52 23.670 -24.461 -16.672 329 HZ2 LYS 52 2HZ LYS 52 22.767 -25.429 -15.619 330 HZ3 LYS 52 3HZ LYS 52 23.390 -23.950 -15.083 331 H LYS 53 H LYS 53 17.547 -23.684 -13.381 332 HA LYS 53 HA LYS 53 19.209 -24.457 -11.127 333 HB2 LYS 53 2HB LYS 53 17.294 -24.001 -9.531 334 HB3 LYS 53 3HB LYS 53 18.155 -22.586 -10.122 335 HG2 LYS 53 2HG LYS 53 15.872 -23.316 -11.779 336 HG3 LYS 53 3HG LYS 53 15.439 -22.924 -10.113 337 HD2 LYS 53 2HD LYS 53 16.408 -20.769 -10.271 338 HD3 LYS 53 3HD LYS 53 17.224 -21.169 -11.784 339 HE2 LYS 53 2HE LYS 53 15.490 -20.182 -12.790 340 HE3 LYS 53 3HE LYS 53 14.584 -21.636 -12.376 341 HZ1 LYS 53 1HZ LYS 53 14.281 -18.982 -11.389 342 HZ2 LYS 53 2HZ LYS 53 14.494 -20.081 -10.122 343 HZ3 LYS 53 3HZ LYS 53 13.242 -20.308 -11.237 344 H ASP 54 H ASP 54 17.774 -26.015 -9.674 345 HA ASP 54 HA ASP 54 16.633 -27.962 -11.545 346 HB2 ASP 54 2HB ASP 54 18.537 -28.376 -9.718 347 HB3 ASP 54 3HB ASP 54 17.132 -28.663 -8.695 348 H ALA 55 H ALA 55 15.186 -25.597 -10.538 349 HA ALA 55 HA ALA 55 13.029 -26.948 -9.053 350 HB1 ALA 55 1HB ALA 55 12.876 -25.183 -7.711 351 HB2 ALA 55 2HB ALA 55 14.367 -24.588 -8.441 352 HB3 ALA 55 3HB ALA 55 12.807 -24.070 -9.079 353 HA PRO 56 HA PRO 56 10.207 -26.364 -12.361 354 HB2 PRO 56 2HB PRO 56 7.916 -25.697 -11.064 355 HB3 PRO 56 3HB PRO 56 8.598 -27.328 -11.033 356 HG2 PRO 56 2HG PRO 56 8.797 -25.152 -8.987 357 HG3 PRO 56 3HG PRO 56 8.502 -26.885 -8.752 358 HD2 PRO 56 2HD PRO 56 10.934 -25.757 -8.373 359 HD3 PRO 56 3HD PRO 56 10.734 -27.421 -8.958 360 HA PRO 57 HA PRO 57 9.779 -22.161 -13.577 361 HB2 PRO 57 2HB PRO 57 7.424 -22.162 -14.928 362 HB3 PRO 57 3HB PRO 57 8.894 -22.914 -15.559 363 HG2 PRO 57 2HG PRO 57 6.557 -24.184 -14.185 364 HG3 PRO 57 3HG PRO 57 7.451 -24.737 -15.613 365 HD2 PRO 57 2HD PRO 57 7.873 -25.763 -13.143 366 HD3 PRO 57 3HD PRO 57 9.165 -25.624 -14.352 367 H GLU 58 H GLU 58 9.529 -20.897 -11.774 368 HA GLU 58 HA GLU 58 6.890 -20.702 -10.533 369 HB2 GLU 58 2HB GLU 58 9.029 -20.920 -9.181 370 HB3 GLU 58 3HB GLU 58 9.414 -19.281 -9.689 371 HG2 GLU 58 2HG GLU 58 8.034 -18.380 -8.197 372 HG3 GLU 58 3HG GLU 58 6.737 -19.508 -8.588 373 H SER 59 H SER 59 9.286 -18.694 -12.190 374 HA SER 59 HA SER 59 7.497 -16.401 -12.153 375 HB2 SER 59 2HB SER 59 9.444 -15.369 -13.503 376 HB3 SER 59 3HB SER 59 9.732 -15.757 -11.807 377 HG SER 59 HG SER 59 10.966 -17.439 -12.381 378 H ARG 60 H ARG 60 7.292 -15.166 -14.280 379 HA ARG 60 HA ARG 60 6.591 -17.084 -16.402 380 HB2 ARG 60 2HB ARG 60 5.417 -14.346 -15.885 381 HB3 ARG 60 3HB ARG 60 4.902 -15.478 -17.128 382 HG2 ARG 60 2HG ARG 60 4.784 -16.085 -14.186 383 HG3 ARG 60 3HG ARG 60 3.447 -15.378 -15.096 384 HD2 ARG 60 2HD ARG 60 3.011 -17.310 -16.222 385 HD3 ARG 60 3HD ARG 60 4.693 -17.839 -16.183 386 HE ARG 60 HE ARG 60 3.420 -17.847 -13.607 387 HH11 ARG 60 1HH1 ARG 60 3.981 -19.655 -16.528 388 HH12 ARG 60 2HH1 ARG 60 3.731 -21.196 -15.777 389 HH21 ARG 60 1HH2 ARG 60 3.087 -19.870 -12.607 390 HH22 ARG 60 2HH2 ARG 60 3.221 -21.317 -13.547 391 H THR 61 H THR 61 7.775 -17.009 -18.183 392 HA THR 61 HA THR 61 9.209 -14.512 -18.817 393 HB THR 61 HB THR 61 10.846 -16.160 -18.322 394 HG1 THR 61 HG1 THR 61 10.769 -16.445 -21.117 395 HG21 THR 61 1HG2 THR 61 8.909 -17.966 -19.503 396 HG22 THR 61 2HG2 THR 61 10.237 -18.309 -18.393 397 HG23 THR 61 3HG2 THR 61 10.533 -18.247 -20.130 398 H LYS 62 H LYS 62 8.103 -13.493 -20.367 399 HA LYS 62 HA LYS 62 7.405 -15.020 -22.780 400 HB2 LYS 62 2HB LYS 62 5.397 -13.405 -22.948 401 HB3 LYS 62 3HB LYS 62 5.285 -14.764 -21.838 402 HG2 LYS 62 2HG LYS 62 6.314 -12.194 -20.775 403 HG3 LYS 62 3HG LYS 62 4.591 -12.313 -21.137 404 HD2 LYS 62 2HD LYS 62 5.621 -14.629 -19.695 405 HD3 LYS 62 3HD LYS 62 5.813 -13.117 -18.803 406 HE2 LYS 62 2HE LYS 62 3.706 -13.850 -18.154 407 HE3 LYS 62 3HE LYS 62 3.349 -12.693 -19.435 408 HZ1 LYS 62 1HZ LYS 62 2.210 -14.304 -20.414 409 HZ2 LYS 62 2HZ LYS 62 2.752 -15.464 -19.310 410 HZ3 LYS 62 3HZ LYS 62 3.664 -15.122 -20.692 411 HA PRO 63 HA PRO 63 9.385 -11.833 -25.056 412 HB2 PRO 63 2HB PRO 63 7.865 -11.725 -27.303 413 HB3 PRO 63 3HB PRO 63 8.961 -13.066 -26.948 414 HG2 PRO 63 2HG PRO 63 5.998 -12.886 -26.559 415 HG3 PRO 63 3HG PRO 63 6.963 -14.229 -27.198 416 HD2 PRO 63 2HD PRO 63 6.047 -14.176 -24.651 417 HD3 PRO 63 3HD PRO 63 7.581 -14.950 -25.098 418 H SER 64 H SER 64 6.043 -11.507 -24.216 419 HA SER 64 HA SER 64 5.381 -9.035 -25.265 420 HB2 SER 64 2HB SER 64 4.395 -9.270 -22.555 421 HB3 SER 64 3HB SER 64 3.507 -9.365 -24.076 422 HG SER 64 HG SER 64 3.264 -11.364 -23.378 423 H VAL 65 H VAL 65 5.300 -6.921 -24.262 424 HA VAL 65 HA VAL 65 7.696 -6.407 -22.634 425 HB VAL 65 HB VAL 65 7.460 -4.043 -23.438 426 HG11 VAL 65 1HG1 VAL 65 9.023 -5.653 -24.457 427 HG12 VAL 65 2HG1 VAL 65 7.771 -6.110 -25.614 428 HG13 VAL 65 3HG1 VAL 65 8.422 -4.470 -25.618 429 HG21 VAL 65 1HG2 VAL 65 4.958 -4.638 -24.109 430 HG22 VAL 65 2HG2 VAL 65 5.875 -3.377 -24.933 431 HG23 VAL 65 3HG2 VAL 65 5.728 -4.978 -25.659 432 H PHE 66 H PHE 66 7.598 -4.923 -20.901 433 HA PHE 66 HA PHE 66 4.903 -4.645 -19.753 434 HB2 PHE 66 2HB PHE 66 7.511 -4.524 -18.240 435 HB3 PHE 66 3HB PHE 66 5.890 -4.714 -17.580 436 HD1 PHE 66 HD1 PHE 66 8.828 -6.383 -18.599 437 HD2 PHE 66 HD2 PHE 66 4.608 -6.849 -18.298 438 HE1 PHE 66 HE1 PHE 66 9.097 -8.828 -18.660 439 HE2 PHE 66 HE2 PHE 66 4.870 -9.295 -18.357 440 HZ PHE 66 HZ PHE 66 7.117 -10.287 -18.537 441 H VAL 67 H VAL 67 4.085 -2.675 -19.460 442 HA VAL 67 HA VAL 67 5.923 -0.373 -19.465 443 HB VAL 67 HB VAL 67 4.249 0.930 -20.707 444 HG11 VAL 67 1HG1 VAL 67 5.732 -1.337 -21.768 445 HG12 VAL 67 2HG1 VAL 67 4.384 -0.855 -22.799 446 HG13 VAL 67 3HG1 VAL 67 5.623 0.321 -22.358 447 HG21 VAL 67 1HG2 VAL 67 2.775 -1.694 -20.789 448 HG22 VAL 67 2HG2 VAL 67 2.211 -0.154 -20.140 449 HG23 VAL 67 3HG2 VAL 67 2.425 -0.352 -21.879 450 H VAL 68 H VAL 68 5.555 1.167 -17.960 451 HA VAL 68 HA VAL 68 3.198 0.808 -16.225 452 HB VAL 68 HB VAL 68 5.895 1.934 -15.458 453 HG11 VAL 68 1HG1 VAL 68 3.385 1.428 -13.872 454 HG12 VAL 68 2HG1 VAL 68 4.962 1.730 -13.140 455 HG13 VAL 68 3HG1 VAL 68 4.201 2.968 -14.139 456 HG21 VAL 68 1HG2 VAL 68 6.529 -0.191 -15.256 457 HG22 VAL 68 2HG2 VAL 68 5.362 -0.336 -13.941 458 HG23 VAL 68 3HG2 VAL 68 4.898 -0.777 -15.585 459 H PHE 69 H PHE 69 1.755 2.379 -16.389 460 HA PHE 69 HA PHE 69 2.456 4.913 -17.595 461 HB2 PHE 69 2HB PHE 69 -0.183 3.863 -16.555 462 HB3 PHE 69 3HB PHE 69 0.025 5.392 -17.403 463 HD1 PHE 69 HD1 PHE 69 0.299 5.471 -19.769 464 HD2 PHE 69 HD2 PHE 69 0.112 1.735 -17.737 465 HE1 PHE 69 HE1 PHE 69 0.007 4.317 -21.923 466 HE2 PHE 69 HE2 PHE 69 -0.179 0.576 -19.888 467 HZ PHE 69 HZ PHE 69 -0.231 1.867 -21.984 468 H ASN 70 H ASN 70 2.433 6.906 -16.618 469 HA ASN 70 HA ASN 70 2.771 6.892 -13.736 470 HB2 ASN 70 2HB ASN 70 4.296 8.133 -15.348 471 HB3 ASN 70 3HB ASN 70 2.974 9.273 -15.581 472 HD21 ASN 70 1HD2 ASN 70 3.146 11.026 -14.409 473 HD22 ASN 70 2HD2 ASN 70 3.867 11.145 -12.843 474 H SER 71 H SER 71 0.673 8.438 -16.141 475 HA SER 71 HA SER 71 -0.911 9.768 -14.143 476 HB2 SER 71 2HB SER 71 -1.266 9.400 -17.123 477 HB3 SER 71 3HB SER 71 -2.397 10.305 -16.117 478 HG SER 71 HG SER 71 0.253 10.911 -16.812 479 H SER 72 H SER 72 -2.678 9.045 -13.139 480 HA SER 72 HA SER 72 -3.415 6.338 -13.217 481 HB2 SER 72 2HB SER 72 -5.159 8.590 -12.208 482 HB3 SER 72 3HB SER 72 -5.151 6.910 -11.673 483 HG SER 72 HG SER 72 -3.745 8.922 -10.705 484 H GLU 73 H GLU 73 -5.047 9.211 -14.535 485 HA GLU 73 HA GLU 73 -7.277 7.942 -15.610 486 HB2 GLU 73 2HB GLU 73 -6.140 10.528 -15.685 487 HB3 GLU 73 3HB GLU 73 -6.425 10.057 -17.354 488 HG2 GLU 73 2HG GLU 73 -8.762 9.558 -16.800 489 HG3 GLU 73 3HG GLU 73 -8.467 10.084 -15.144 490 H GLU 74 H GLU 74 -4.278 8.851 -17.318 491 HA GLU 74 HA GLU 74 -4.901 7.569 -19.729 492 HB2 GLU 74 2HB GLU 74 -3.003 9.255 -19.133 493 HB3 GLU 74 3HB GLU 74 -2.075 7.811 -18.755 494 HG2 GLU 74 2HG GLU 74 -1.474 8.004 -20.914 495 HG3 GLU 74 3HG GLU 74 -2.971 7.108 -21.166 496 H ALA 75 H ALA 75 -3.389 6.385 -16.789 497 HA ALA 75 HA ALA 75 -2.380 3.957 -17.740 498 HB1 ALA 75 1HB ALA 75 -2.527 3.200 -15.386 499 HB2 ALA 75 2HB ALA 75 -1.770 4.784 -15.563 500 HB3 ALA 75 3HB ALA 75 -3.439 4.661 -15.006 501 H GLU 76 H GLU 76 -5.548 4.683 -16.283 502 HA GLU 76 HA GLU 76 -6.560 2.051 -16.550 503 HB2 GLU 76 2HB GLU 76 -7.858 4.731 -16.116 504 HB3 GLU 76 3HB GLU 76 -8.813 3.266 -16.298 505 HG2 GLU 76 2HG GLU 76 -7.236 2.370 -14.411 506 HG3 GLU 76 3HG GLU 76 -7.000 4.086 -14.086 507 H ALA 77 H ALA 77 -6.718 4.922 -18.592 508 HA ALA 77 HA ALA 77 -8.593 4.049 -20.459 509 HB1 ALA 77 1HB ALA 77 -6.247 5.666 -21.343 510 HB2 ALA 77 2HB ALA 77 -7.953 5.836 -21.759 511 HB3 ALA 77 3HB ALA 77 -7.378 6.344 -20.171 512 H PHE 78 H PHE 78 -5.047 3.726 -20.533 513 HA PHE 78 HA PHE 78 -4.997 2.234 -22.946 514 HB2 PHE 78 2HB PHE 78 -3.020 2.851 -20.790 515 HB3 PHE 78 3HB PHE 78 -2.645 1.578 -21.947 516 HD1 PHE 78 HD1 PHE 78 -1.485 2.160 -23.835 517 HD2 PHE 78 HD2 PHE 78 -3.897 5.093 -21.912 518 HE1 PHE 78 HE1 PHE 78 -0.706 3.851 -25.445 519 HE2 PHE 78 HE2 PHE 78 -3.123 6.788 -23.519 520 HZ PHE 78 HZ PHE 78 -1.526 6.168 -25.289 521 H GLN 79 H GLN 79 -5.054 1.349 -19.534 522 HA GLN 79 HA GLN 79 -4.515 -1.367 -19.738 523 HB2 GLN 79 2HB GLN 79 -5.675 0.420 -17.769 524 HB3 GLN 79 3HB GLN 79 -6.455 -1.156 -17.740 525 HG2 GLN 79 2HG GLN 79 -4.238 -2.212 -17.513 526 HG3 GLN 79 3HG GLN 79 -3.511 -0.608 -17.445 527 HE21 GLN 79 1HE2 GLN 79 -3.049 0.024 -15.476 528 HE22 GLN 79 2HE2 GLN 79 -3.919 -0.378 -14.039 529 H LYS 80 H LYS 80 -7.684 0.257 -19.807 530 HA LYS 80 HA LYS 80 -9.255 -2.014 -20.190 531 HB2 LYS 80 2HB LYS 80 -10.066 0.303 -19.642 532 HB3 LYS 80 3HB LYS 80 -9.814 0.728 -21.330 533 HG2 LYS 80 2HG LYS 80 -11.514 -0.719 -22.060 534 HG3 LYS 80 3HG LYS 80 -11.581 -1.554 -20.506 535 HD2 LYS 80 2HD LYS 80 -13.369 -0.209 -20.182 536 HD3 LYS 80 3HD LYS 80 -12.132 0.957 -19.709 537 HE2 LYS 80 2HE LYS 80 -12.133 1.449 -22.313 538 HE3 LYS 80 3HE LYS 80 -13.771 0.810 -22.186 539 HZ1 LYS 80 1HZ LYS 80 -12.797 2.939 -20.382 540 HZ2 LYS 80 2HZ LYS 80 -14.393 2.503 -20.730 541 HZ3 LYS 80 3HZ LYS 80 -13.461 3.299 -21.896 542 H ALA 81 H ALA 81 -8.485 0.359 -22.739 543 HA ALA 81 HA ALA 81 -8.298 -1.886 -24.639 544 HB1 ALA 81 1HB ALA 81 -10.174 0.237 -24.637 545 HB2 ALA 81 2HB ALA 81 -9.096 0.470 -26.014 546 HB3 ALA 81 3HB ALA 81 -9.972 -1.049 -25.827 547 HA PRO 82 HA PRO 82 -4.430 -0.313 -25.988 548 HB2 PRO 82 2HB PRO 82 -4.524 -0.747 -28.666 549 HB3 PRO 82 3HB PRO 82 -4.353 -2.053 -27.487 550 HG2 PRO 82 2HG PRO 82 -6.805 -1.102 -28.917 551 HG3 PRO 82 3HG PRO 82 -6.267 -2.762 -28.601 552 HD2 PRO 82 2HD PRO 82 -8.174 -1.541 -27.116 553 HD3 PRO 82 3HD PRO 82 -7.055 -2.739 -26.435 554 HA PRO 83 HA PRO 83 -4.642 3.820 -27.474 555 HB2 PRO 83 2HB PRO 83 -2.375 4.045 -28.951 556 HB3 PRO 83 3HB PRO 83 -2.366 3.949 -27.186 557 HG2 PRO 83 2HG PRO 83 -1.856 1.796 -29.201 558 HG3 PRO 83 3HG PRO 83 -0.988 2.147 -27.696 559 HD2 PRO 83 2HD PRO 83 -2.826 0.169 -27.890 560 HD3 PRO 83 3HD PRO 83 -2.564 1.085 -26.392 561 H MET 84 H MET 84 -4.010 1.364 -29.934 562 HA MET 84 HA MET 84 -4.719 1.130 -32.082 563 HB2 MET 84 2HB MET 84 -6.834 2.491 -30.711 564 HB3 MET 84 3HB MET 84 -6.718 3.123 -32.348 565 HG2 MET 84 2HG MET 84 -6.520 0.273 -32.412 566 HG3 MET 84 3HG MET 84 -7.941 0.749 -31.485 567 HE1 MET 84 1HE MET 84 -10.076 1.588 -32.429 568 HE2 MET 84 2HE MET 84 -9.289 3.150 -32.656 569 HE3 MET 84 3HE MET 84 -10.247 2.446 -33.960 570 H TYR 85 H TYR 85 -2.901 1.872 -33.124 571 HA TYR 85 HA TYR 85 -2.967 4.692 -33.981 572 HB2 TYR 85 2HB TYR 85 -0.964 3.454 -32.543 573 HB3 TYR 85 3HB TYR 85 -0.370 3.362 -34.197 574 HD1 TYR 85 HD1 TYR 85 0.166 5.146 -31.449 575 HD2 TYR 85 HD2 TYR 85 -1.213 5.830 -35.415 576 HE1 TYR 85 HE1 TYR 85 0.920 7.483 -31.302 577 HE2 TYR 85 HE2 TYR 85 -0.462 8.168 -35.280 578 HH TYR 85 HH TYR 85 0.017 9.850 -33.566 579 H ASP 86 H ASP 86 -3.210 5.023 -36.086 580 HA ASP 86 HA ASP 86 -3.683 3.044 -37.953 581 HB2 ASP 86 2HB ASP 86 -2.758 5.894 -38.313 582 HB3 ASP 86 3HB ASP 86 -3.195 4.856 -39.667 583 H ASP 87 H ASP 87 -0.659 4.795 -37.333 584 HA ASP 87 HA ASP 87 0.909 3.766 -39.359 585 HB2 ASP 87 2HB ASP 87 1.629 4.529 -36.528 586 HB3 ASP 87 3HB ASP 87 2.834 4.091 -37.735 587 H VAL 88 H VAL 88 0.809 2.503 -36.020 588 HA VAL 88 HA VAL 88 1.250 -0.191 -37.119 589 HB VAL 88 HB VAL 88 2.586 0.866 -34.625 590 HG11 VAL 88 1HG1 VAL 88 2.447 -1.787 -35.958 591 HG12 VAL 88 2HG1 VAL 88 3.963 -1.318 -35.187 592 HG13 VAL 88 3HG1 VAL 88 2.474 -1.384 -34.242 593 HG21 VAL 88 1HG2 VAL 88 4.682 0.573 -36.031 594 HG22 VAL 88 2HG2 VAL 88 3.611 0.515 -37.431 595 HG23 VAL 88 3HG2 VAL 88 3.660 1.957 -36.417 596 H GLN 89 H GLN 89 -0.132 -1.671 -36.382 597 HA GLN 89 HA GLN 89 -2.245 -0.974 -34.638 598 HB2 GLN 89 2HB GLN 89 -1.323 -3.534 -35.896 599 HB3 GLN 89 3HB GLN 89 -2.597 -3.558 -34.684 600 HG2 GLN 89 2HG GLN 89 -4.085 -2.428 -36.027 601 HG3 GLN 89 3HG GLN 89 -2.811 -1.703 -37.007 602 HE21 GLN 89 1HE2 GLN 89 -5.233 -3.854 -37.090 603 HE22 GLN 89 2HE2 GLN 89 -4.658 -4.923 -38.319 604 H LEU 90 H LEU 90 -2.216 -0.834 -32.503 605 HA LEU 90 HA LEU 90 -0.123 -2.244 -31.011 606 HB2 LEU 90 2HB LEU 90 -1.395 0.325 -30.786 607 HB3 LEU 90 3HB LEU 90 -1.565 -0.574 -29.281 608 HG LEU 90 HG LEU 90 0.380 0.842 -29.165 609 HD11 LEU 90 1HD1 LEU 90 1.937 -0.727 -28.412 610 HD12 LEU 90 2HD1 LEU 90 1.442 -1.928 -29.605 611 HD13 LEU 90 3HD1 LEU 90 0.383 -1.545 -28.248 612 HD21 LEU 90 1HD2 LEU 90 1.438 -0.630 -31.573 613 HD22 LEU 90 2HD2 LEU 90 2.221 0.686 -30.697 614 HD23 LEU 90 3HD2 LEU 90 0.748 0.993 -31.618 615 H THR 91 H THR 91 -0.563 -3.789 -29.541 616 HA THR 91 HA THR 91 -3.390 -4.331 -28.914 617 HB THR 91 HB THR 91 -1.491 -6.622 -29.087 618 HG1 THR 91 HG1 THR 91 -1.388 -6.573 -31.213 619 HG21 THR 91 1HG2 THR 91 -3.670 -7.136 -28.297 620 HG22 THR 91 2HG2 THR 91 -3.607 -7.699 -29.967 621 HG23 THR 91 3HG2 THR 91 -4.432 -6.191 -29.576 622 H ALA 92 H ALA 92 -3.529 -3.736 -26.831 623 HA ALA 92 HA ALA 92 -1.453 -4.691 -24.972 624 HB1 ALA 92 1HB ALA 92 -1.753 -2.830 -23.661 625 HB2 ALA 92 2HB ALA 92 -2.067 -2.161 -25.262 626 HB3 ALA 92 3HB ALA 92 -3.413 -2.580 -24.203 627 H GLU 93 H GLU 93 -2.033 -5.771 -23.102 628 HA GLU 93 HA GLU 93 -4.816 -6.732 -23.027 629 HB2 GLU 93 2HB GLU 93 -2.201 -8.063 -22.536 630 HB3 GLU 93 3HB GLU 93 -3.568 -8.579 -21.559 631 HG2 GLU 93 2HG GLU 93 -4.264 -8.400 -24.359 632 HG3 GLU 93 3HG GLU 93 -2.895 -9.478 -24.088 633 H MET 94 H MET 94 -5.525 -7.437 -20.792 634 HA MET 94 HA MET 94 -4.795 -5.324 -18.892 635 HB2 MET 94 2HB MET 94 -7.213 -5.741 -19.677 636 HB3 MET 94 3HB MET 94 -7.166 -7.158 -18.637 637 HG2 MET 94 2HG MET 94 -7.185 -5.934 -16.726 638 HG3 MET 94 3HG MET 94 -6.340 -4.573 -17.457 639 HE1 MET 94 1HE MET 94 -9.866 -6.055 -16.512 640 HE2 MET 94 2HE MET 94 -8.960 -4.930 -15.500 641 HE3 MET 94 3HE MET 94 -10.477 -4.422 -16.244 642 H LYS 95 H LYS 95 -4.496 -5.822 -16.661 643 HA LYS 95 HA LYS 95 -2.847 -8.049 -16.186 644 HB2 LYS 95 2HB LYS 95 -2.846 -7.355 -13.867 645 HB3 LYS 95 3HB LYS 95 -2.747 -5.934 -14.899 646 HG2 LYS 95 2HG LYS 95 -5.270 -5.750 -14.613 647 HG3 LYS 95 3HG LYS 95 -5.088 -6.924 -13.308 648 HD2 LYS 95 2HD LYS 95 -3.893 -5.459 -11.980 649 HD3 LYS 95 3HD LYS 95 -3.356 -4.489 -13.354 650 HE2 LYS 95 2HE LYS 95 -5.102 -3.120 -13.162 651 HE3 LYS 95 3HE LYS 95 -6.234 -4.471 -13.126 652 HZ1 LYS 95 1HZ LYS 95 -5.223 -4.634 -10.682 653 HZ2 LYS 95 2HZ LYS 95 -6.588 -3.707 -11.052 654 HZ3 LYS 95 3HZ LYS 95 -5.072 -2.967 -10.927 655 H THR 96 H THR 96 -6.273 -7.500 -15.653 656 HA THR 96 HA THR 96 -6.841 -9.668 -13.989 657 HB THR 96 HB THR 96 -8.747 -8.771 -16.135 658 HG1 THR 96 HG1 THR 96 -7.735 -7.322 -13.954 659 HG21 THR 96 1HG2 THR 96 -8.895 -10.154 -13.540 660 HG22 THR 96 2HG2 THR 96 -9.958 -10.258 -14.943 661 HG23 THR 96 3HG2 THR 96 -10.127 -8.922 -13.805 662 H THR 97 H THR 97 -6.937 -9.468 -17.542 663 HA THR 97 HA THR 97 -7.780 -12.044 -18.100 664 HB THR 97 HB THR 97 -5.673 -10.744 -19.798 665 HG1 THR 97 HG1 THR 97 -8.402 -10.001 -19.941 666 HG21 THR 97 1HG2 THR 97 -7.377 -12.941 -20.098 667 HG22 THR 97 2HG2 THR 97 -6.398 -12.175 -21.349 668 HG23 THR 97 3HG2 THR 97 -8.071 -11.673 -21.107 669 H TYR 98 H TYR 98 -4.396 -10.907 -18.026 670 HA TYR 98 HA TYR 98 -3.153 -13.351 -18.375 671 HB2 TYR 98 2HB TYR 98 -2.357 -10.781 -17.085 672 HB3 TYR 98 3HB TYR 98 -1.328 -12.187 -16.835 673 HD1 TYR 98 HD1 TYR 98 -3.213 -10.918 -19.805 674 HD2 TYR 98 HD2 TYR 98 0.554 -12.014 -18.158 675 HE1 TYR 98 HE1 TYR 98 -2.150 -10.519 -21.987 676 HE2 TYR 98 HE2 TYR 98 1.628 -11.617 -20.335 677 HH TYR 98 HH TYR 98 0.285 -11.595 -23.070 678 H LEU 99 H LEU 99 -4.178 -11.810 -15.348 679 HA LEU 99 HA LEU 99 -3.163 -13.658 -13.545 680 HB2 LEU 99 2HB LEU 99 -4.155 -11.514 -12.907 681 HB3 LEU 99 3HB LEU 99 -5.748 -12.116 -13.363 682 HG LEU 99 HG LEU 99 -4.934 -13.973 -11.523 683 HD11 LEU 99 1HD1 LEU 99 -4.060 -11.289 -10.475 684 HD12 LEU 99 2HD1 LEU 99 -2.950 -12.539 -11.034 685 HD13 LEU 99 3HD1 LEU 99 -3.992 -12.844 -9.645 686 HD21 LEU 99 1HD2 LEU 99 -6.623 -11.509 -11.380 687 HD22 LEU 99 2HD2 LEU 99 -6.391 -12.515 -9.950 688 HD23 LEU 99 3HD2 LEU 99 -7.113 -13.203 -11.405 689 H GLU 100 H GLU 100 -6.273 -13.671 -15.251 690 HA GLU 100 HA GLU 100 -7.282 -16.013 -14.039 691 HB2 GLU 100 2HB GLU 100 -8.189 -14.132 -15.912 692 HB3 GLU 100 3HB GLU 100 -8.229 -15.677 -16.749 693 HG2 GLU 100 2HG GLU 100 -9.710 -16.609 -15.182 694 HG3 GLU 100 3HG GLU 100 -9.441 -15.301 -14.032 695 H ARG 101 H ARG 101 -5.345 -15.462 -16.934 696 HA ARG 101 HA ARG 101 -5.469 -18.033 -18.024 697 HB2 ARG 101 2HB ARG 101 -3.611 -15.725 -18.244 698 HB3 ARG 101 3HB ARG 101 -3.014 -17.285 -18.793 699 HG2 ARG 101 2HG ARG 101 -4.171 -17.143 -20.677 700 HG3 ARG 101 3HG ARG 101 -5.664 -16.795 -19.804 701 HD2 ARG 101 2HD ARG 101 -5.390 -14.887 -21.078 702 HD3 ARG 101 3HD ARG 101 -4.657 -14.419 -19.544 703 HE ARG 101 HE ARG 101 -2.612 -14.317 -20.584 704 HH11 ARG 101 1HH1 ARG 101 -4.895 -15.928 -22.660 705 HH12 ARG 101 2HH1 ARG 101 -3.840 -15.933 -24.034 706 HH21 ARG 101 1HH2 ARG 101 -1.214 -14.318 -22.386 707 HH22 ARG 101 2HH2 ARG 101 -1.746 -15.018 -23.877 708 H LYS 102 H LYS 102 -2.901 -16.634 -15.978 709 HA LYS 102 HA LYS 102 -1.453 -19.006 -15.635 710 HB2 LYS 102 2HB LYS 102 -0.441 -17.870 -13.677 711 HB3 LYS 102 3HB LYS 102 -0.467 -16.861 -15.117 712 HG2 LYS 102 2HG LYS 102 -2.468 -15.717 -14.244 713 HG3 LYS 102 3HG LYS 102 -2.351 -16.688 -12.774 714 HD2 LYS 102 2HD LYS 102 -0.155 -14.886 -13.785 715 HD3 LYS 102 3HD LYS 102 -1.360 -14.398 -12.590 716 HE2 LYS 102 2HE LYS 102 -0.361 -16.833 -11.667 717 HE3 LYS 102 3HE LYS 102 1.051 -15.955 -12.253 718 HZ1 LYS 102 1HZ LYS 102 0.935 -15.137 -10.155 719 HZ2 LYS 102 2HZ LYS 102 -0.742 -15.324 -10.034 720 HZ3 LYS 102 3HZ LYS 102 -0.097 -14.024 -10.903 721 H ALA 103 H ALA 103 -4.101 -17.611 -13.761 722 HA ALA 103 HA ALA 103 -4.059 -19.329 -11.570 723 HB1 ALA 103 1HB ALA 103 -6.151 -17.674 -12.883 724 HB2 ALA 103 2HB ALA 103 -6.651 -18.855 -11.672 725 HB3 ALA 103 3HB ALA 103 -5.502 -17.588 -11.245 726 H GLU 104 H GLU 104 -5.722 -19.684 -14.687 727 HA GLU 104 HA GLU 104 -6.939 -22.169 -14.045 728 HB2 GLU 104 2HB GLU 104 -7.771 -20.671 -15.825 729 HB3 GLU 104 3HB GLU 104 -6.319 -20.995 -16.762 730 HG2 GLU 104 2HG GLU 104 -7.163 -23.507 -16.363 731 HG3 GLU 104 3HG GLU 104 -8.709 -22.662 -16.329 732 H GLU 105 H GLU 105 -3.929 -21.262 -15.646 733 HA GLU 105 HA GLU 105 -3.165 -23.759 -16.617 734 HB2 GLU 105 2HB GLU 105 -2.063 -21.485 -17.006 735 HB3 GLU 105 3HB GLU 105 -1.231 -21.748 -15.480 736 HG2 GLU 105 2HG GLU 105 -0.343 -23.882 -16.429 737 HG3 GLU 105 3HG GLU 105 -1.028 -23.402 -17.981 738 H ILE 106 H ILE 106 -2.041 -22.228 -13.594 739 HA ILE 106 HA ILE 106 -0.792 -24.527 -12.575 740 HB ILE 106 HB ILE 106 -0.318 -22.275 -11.723 741 HG12 ILE 106 2HG1 ILE 106 -1.182 -23.293 -9.188 742 HG13 ILE 106 3HG1 ILE 106 -0.670 -24.641 -10.197 743 HG21 ILE 106 1HG2 ILE 106 -1.820 -20.928 -10.659 744 HG22 ILE 106 2HG2 ILE 106 -2.918 -21.788 -11.737 745 HG23 ILE 106 3HG2 ILE 106 -2.772 -22.282 -10.051 746 HD11 ILE 106 1HD1 ILE 106 1.061 -22.226 -9.972 747 HD12 ILE 106 2HD1 ILE 106 1.044 -23.427 -8.680 748 HD13 ILE 106 3HD1 ILE 106 1.501 -23.899 -10.317 749 H ALA 107 H ALA 107 -4.095 -23.373 -12.372 750 HA ALA 107 HA ALA 107 -4.993 -25.049 -10.296 751 HB1 ALA 107 1HB ALA 107 -6.472 -23.352 -10.751 752 HB2 ALA 107 2HB ALA 107 -6.323 -23.543 -12.498 753 HB3 ALA 107 3HB ALA 107 -7.258 -24.708 -11.561 754 H ALA 108 H ALA 108 -4.814 -25.512 -13.796 755 HA ALA 108 HA ALA 108 -6.210 -27.941 -13.941 756 HB1 ALA 108 1HB ALA 108 -5.713 -26.619 -15.915 757 HB2 ALA 108 2HB ALA 108 -3.988 -26.921 -15.706 758 HB3 ALA 108 3HB ALA 108 -5.075 -28.254 -16.094 759 H LYS 109 H LYS 109 -2.733 -27.293 -13.582 760 HA LYS 109 HA LYS 109 -1.929 -29.998 -13.531 761 HB2 LYS 109 2HB LYS 109 -0.556 -27.624 -12.257 762 HB3 LYS 109 3HB LYS 109 0.188 -29.167 -12.655 763 HG2 LYS 109 2HG LYS 109 -0.591 -28.604 -15.076 764 HG3 LYS 109 3HG LYS 109 -0.660 -26.951 -14.461 765 HD2 LYS 109 2HD LYS 109 1.787 -28.506 -13.854 766 HD3 LYS 109 3HD LYS 109 1.549 -28.015 -15.533 767 HE2 LYS 109 2HE LYS 109 0.996 -25.693 -14.389 768 HE3 LYS 109 3HE LYS 109 2.006 -26.358 -13.106 769 HZ1 LYS 109 1HZ LYS 109 2.946 -25.035 -15.233 770 HZ2 LYS 109 2HZ LYS 109 3.086 -26.631 -15.776 771 HZ3 LYS 109 3HZ LYS 109 3.848 -26.156 -14.342 772 H LYS 110 H LYS 110 -2.330 -27.670 -10.858 773 HA LYS 110 HA LYS 110 -2.125 -29.766 -8.886 774 HB2 LYS 110 2HB LYS 110 -2.050 -26.871 -8.918 775 HB3 LYS 110 3HB LYS 110 -3.106 -27.458 -7.640 776 HG2 LYS 110 2HG LYS 110 -1.389 -28.116 -6.392 777 HG3 LYS 110 3HG LYS 110 -0.607 -28.924 -7.753 778 HD2 LYS 110 2HD LYS 110 -0.498 -26.029 -7.975 779 HD3 LYS 110 3HD LYS 110 0.259 -26.616 -6.492 780 HE2 LYS 110 2HE LYS 110 1.974 -26.592 -8.103 781 HE3 LYS 110 3HE LYS 110 1.492 -28.282 -7.959 782 HZ1 LYS 110 1HZ LYS 110 1.441 -28.124 -10.192 783 HZ2 LYS 110 2HZ LYS 110 1.189 -26.452 -10.197 784 HZ3 LYS 110 3HZ LYS 110 -0.108 -27.501 -9.920 Start of MODEL 18 1 H1 THR 12 H THR 12 -0.665 0.730 -0.424 2 HA THR 12 HA THR 12 1.821 1.147 -1.431 3 HB THR 12 HB THR 12 1.441 -1.819 -1.643 4 HG1 THR 12 HG1 THR 12 1.542 -1.292 0.613 5 HG21 THR 12 1HG2 THR 12 3.270 0.058 -2.663 6 HG22 THR 12 2HG2 THR 12 3.354 -1.699 -2.780 7 HG23 THR 12 3HG2 THR 12 4.143 -0.866 -1.442 8 H ASP 13 H ASP 13 1.752 1.376 -3.619 9 HA ASP 13 HA ASP 13 -0.559 0.217 -5.027 10 HB2 ASP 13 2HB ASP 13 -0.460 2.406 -6.411 11 HB3 ASP 13 3HB ASP 13 -1.219 2.448 -4.822 12 H HIS 14 H HIS 14 -0.058 -0.876 -6.811 13 HA HIS 14 HA HIS 14 2.481 -0.283 -8.170 14 HB2 HIS 14 2HB HIS 14 2.951 -2.642 -8.436 15 HB3 HIS 14 3HB HIS 14 2.733 -2.291 -6.724 16 HD1 HIS 14 HD1 HIS 14 0.598 -3.241 -5.584 17 HD2 HIS 14 HD2 HIS 14 1.072 -4.364 -9.556 18 HE1 HIS 14 HE1 HIS 14 -1.026 -5.126 -5.948 19 H GLN 15 H GLN 15 2.388 -0.238 -10.349 20 HA GLN 15 HA GLN 15 -0.037 -1.261 -11.657 21 HB2 GLN 15 2HB GLN 15 -0.008 0.754 -13.132 22 HB3 GLN 15 3HB GLN 15 -0.395 1.103 -11.452 23 HG2 GLN 15 2HG GLN 15 2.438 1.301 -11.898 24 HG3 GLN 15 3HG GLN 15 1.553 2.312 -13.038 25 HE21 GLN 15 1HE2 GLN 15 2.373 1.770 -9.723 26 HE22 GLN 15 2HE2 GLN 15 1.746 3.256 -9.105 27 H THR 16 H THR 16 0.355 -2.475 -13.393 28 HA THR 16 HA THR 16 2.759 -2.063 -14.979 29 HB THR 16 HB THR 16 2.186 -4.713 -13.637 30 HG1 THR 16 HG1 THR 16 4.137 -4.311 -12.574 31 HG21 THR 16 1HG2 THR 16 4.217 -3.914 -15.718 32 HG22 THR 16 2HG2 THR 16 2.985 -5.171 -15.836 33 HG23 THR 16 3HG2 THR 16 4.352 -5.376 -14.741 34 H VAL 17 H VAL 17 2.203 -2.165 -17.047 35 HA VAL 17 HA VAL 17 -0.162 -3.756 -17.792 36 HB VAL 17 HB VAL 17 1.007 -1.429 -19.319 37 HG11 VAL 17 1HG1 VAL 17 -0.221 -2.475 -20.912 38 HG12 VAL 17 2HG1 VAL 17 -1.255 -3.291 -19.737 39 HG13 VAL 17 3HG1 VAL 17 -1.534 -1.594 -20.131 40 HG21 VAL 17 1HG2 VAL 17 0.204 -0.298 -17.508 41 HG22 VAL 17 2HG2 VAL 17 -1.284 -0.425 -18.444 42 HG23 VAL 17 3HG2 VAL 17 -0.981 -1.543 -17.114 43 H TYR 18 H TYR 18 -0.105 -5.027 -19.660 44 HA TYR 18 HA TYR 18 2.609 -5.667 -20.605 45 HB2 TYR 18 2HB TYR 18 0.201 -7.479 -20.760 46 HB3 TYR 18 3HB TYR 18 1.893 -7.911 -20.975 47 HD1 TYR 18 HD1 TYR 18 3.318 -8.329 -19.087 48 HD2 TYR 18 HD2 TYR 18 -0.692 -7.029 -18.511 49 HE1 TYR 18 HE1 TYR 18 3.476 -8.918 -16.704 50 HE2 TYR 18 HE2 TYR 18 -0.545 -7.613 -16.126 51 HH TYR 18 HH TYR 18 0.889 -9.284 -14.727 52 H VAL 19 H VAL 19 3.086 -5.461 -22.704 53 HA VAL 19 HA VAL 19 0.880 -5.119 -24.622 54 HB VAL 19 HB VAL 19 3.416 -3.481 -24.657 55 HG11 VAL 19 1HG1 VAL 19 1.105 -3.796 -26.465 56 HG12 VAL 19 2HG1 VAL 19 1.659 -2.144 -26.189 57 HG13 VAL 19 3HG1 VAL 19 2.775 -3.355 -26.821 58 HG21 VAL 19 1HG2 VAL 19 2.491 -2.196 -23.095 59 HG22 VAL 19 2HG2 VAL 19 1.223 -1.799 -24.254 60 HG23 VAL 19 3HG2 VAL 19 0.999 -3.135 -23.125 61 H LYS 20 H LYS 20 1.276 -5.825 -26.727 62 HA LYS 20 HA LYS 20 2.786 -8.108 -27.065 63 HB2 LYS 20 2HB LYS 20 2.600 -7.560 -29.563 64 HB3 LYS 20 3HB LYS 20 1.102 -7.725 -28.655 65 HG2 LYS 20 2HG LYS 20 0.681 -5.440 -28.692 66 HG3 LYS 20 3HG LYS 20 2.360 -5.040 -29.061 67 HD2 LYS 20 2HD LYS 20 1.072 -6.737 -31.068 68 HD3 LYS 20 3HD LYS 20 0.321 -5.150 -30.883 69 HE2 LYS 20 2HE LYS 20 2.319 -4.028 -31.415 70 HE3 LYS 20 3HE LYS 20 3.291 -5.481 -31.187 71 HZ1 LYS 20 1HZ LYS 20 2.165 -4.532 -33.549 72 HZ2 LYS 20 2HZ LYS 20 1.357 -5.968 -33.168 73 HZ3 LYS 20 3HZ LYS 20 3.042 -5.961 -33.319 74 HA PRO 21 HA PRO 21 6.968 -6.927 -27.679 75 HB2 PRO 21 2HB PRO 21 7.774 -8.708 -29.562 76 HB3 PRO 21 3HB PRO 21 7.456 -9.163 -27.884 77 HG2 PRO 21 2HG PRO 21 5.702 -9.458 -30.292 78 HG3 PRO 21 3HG PRO 21 6.003 -10.612 -28.980 79 HD2 PRO 21 2HD PRO 21 3.775 -9.076 -29.087 80 HD3 PRO 21 3HD PRO 21 4.523 -9.568 -27.554 81 H VAL 22 H VAL 22 8.544 -6.155 -29.278 82 HA VAL 22 HA VAL 22 7.197 -4.834 -31.538 83 HB VAL 22 HB VAL 22 9.220 -3.289 -31.472 84 HG11 VAL 22 1HG1 VAL 22 8.120 -2.581 -28.970 85 HG12 VAL 22 2HG1 VAL 22 7.700 -1.950 -30.564 86 HG13 VAL 22 3HG1 VAL 22 6.834 -3.340 -29.907 87 HG21 VAL 22 1HG2 VAL 22 10.559 -3.196 -29.521 88 HG22 VAL 22 2HG2 VAL 22 9.543 -4.366 -28.679 89 HG23 VAL 22 3HG2 VAL 22 10.550 -4.884 -30.031 90 HA PRO 23 HA PRO 23 9.648 -6.982 -34.479 91 HB2 PRO 23 2HB PRO 23 9.994 -5.076 -36.381 92 HB3 PRO 23 3HB PRO 23 8.448 -5.887 -36.105 93 HG2 PRO 23 2HG PRO 23 9.373 -3.200 -35.162 94 HG3 PRO 23 3HG PRO 23 7.799 -3.671 -35.828 95 HD2 PRO 23 2HD PRO 23 8.224 -3.368 -33.171 96 HD3 PRO 23 3HD PRO 23 7.072 -4.551 -33.825 97 HA PRO 24 HA PRO 24 13.946 -6.168 -34.040 98 HB2 PRO 24 2HB PRO 24 14.941 -6.862 -36.470 99 HB3 PRO 24 3HB PRO 24 14.343 -8.047 -35.302 100 HG2 PRO 24 2HG PRO 24 12.970 -6.889 -37.697 101 HG3 PRO 24 3HG PRO 24 13.005 -8.569 -37.131 102 HD2 PRO 24 2HD PRO 24 10.903 -6.923 -36.680 103 HD3 PRO 24 3HD PRO 24 11.378 -8.199 -35.540 104 H THR 25 H THR 25 12.189 -4.545 -36.539 105 HA THR 25 HA THR 25 14.360 -2.781 -37.269 106 HB THR 25 HB THR 25 12.227 -1.555 -38.346 107 HG1 THR 25 HG1 THR 25 10.724 -3.022 -37.444 108 HG21 THR 25 1HG2 THR 25 14.301 -2.892 -39.329 109 HG22 THR 25 2HG2 THR 25 12.935 -2.424 -40.341 110 HG23 THR 25 3HG2 THR 25 13.044 -4.067 -39.712 111 H ALA 26 H ALA 26 11.347 -2.571 -35.416 112 HA ALA 26 HA ALA 26 11.398 0.162 -34.850 113 HB1 ALA 26 1HB ALA 26 9.938 -0.373 -32.957 114 HB2 ALA 26 2HB ALA 26 9.450 -1.230 -34.419 115 HB3 ALA 26 3HB ALA 26 10.324 -2.083 -33.147 116 H THR 27 H THR 27 13.066 1.223 -34.002 117 HA THR 27 HA THR 27 14.839 -0.060 -32.096 118 HB THR 27 HB THR 27 15.537 2.657 -32.322 119 HG1 THR 27 HG1 THR 27 14.448 3.067 -34.150 120 HG21 THR 27 1HG2 THR 27 17.471 1.777 -33.542 121 HG22 THR 27 2HG2 THR 27 16.633 0.242 -33.769 122 HG23 THR 27 3HG2 THR 27 17.085 0.769 -32.148 123 H LEU 28 H LEU 28 15.590 1.433 -30.223 124 HA LEU 28 HA LEU 28 13.383 1.774 -28.481 125 HB2 LEU 28 2HB LEU 28 16.094 1.490 -28.187 126 HB3 LEU 28 3HB LEU 28 15.836 3.170 -27.723 127 HG LEU 28 HG LEU 28 14.028 1.195 -26.479 128 HD11 LEU 28 1HD1 LEU 28 16.215 1.126 -24.798 129 HD12 LEU 28 2HD1 LEU 28 16.913 0.884 -26.399 130 HD13 LEU 28 3HD1 LEU 28 15.641 -0.192 -25.821 131 HD21 LEU 28 1HD2 LEU 28 15.528 3.659 -25.643 132 HD22 LEU 28 2HD2 LEU 28 14.697 2.627 -24.479 133 HD23 LEU 28 3HD2 LEU 28 13.785 3.417 -25.766 134 H GLU 29 H GLU 29 15.431 4.048 -30.258 135 HA GLU 29 HA GLU 29 14.359 6.411 -29.167 136 HB2 GLU 29 2HB GLU 29 16.421 5.879 -30.822 137 HB3 GLU 29 3HB GLU 29 15.248 6.467 -31.992 138 HG2 GLU 29 2HG GLU 29 15.712 8.551 -31.438 139 HG3 GLU 29 3HG GLU 29 15.243 8.232 -29.769 140 H GLN 30 H GLN 30 13.433 4.468 -31.968 141 HA GLN 30 HA GLN 30 11.462 6.246 -32.948 142 HB2 GLN 30 2HB GLN 30 12.329 4.577 -34.423 143 HB3 GLN 30 3HB GLN 30 11.881 3.282 -33.321 144 HG2 GLN 30 2HG GLN 30 9.778 3.196 -34.072 145 HG3 GLN 30 3HG GLN 30 9.641 4.950 -34.190 146 HE21 GLN 30 1HE2 GLN 30 8.525 4.564 -36.181 147 HE22 GLN 30 2HE2 GLN 30 9.417 4.256 -37.628 148 H LEU 31 H LEU 31 11.257 3.363 -30.881 149 HA LEU 31 HA LEU 31 8.488 3.306 -30.565 150 HB2 LEU 31 2HB LEU 31 10.788 2.079 -29.347 151 HB3 LEU 31 3HB LEU 31 9.590 2.489 -28.121 152 HG LEU 31 HG LEU 31 9.081 0.782 -30.557 153 HD11 LEU 31 1HD1 LEU 31 10.280 0.161 -28.044 154 HD12 LEU 31 2HD1 LEU 31 9.923 -0.907 -29.400 155 HD13 LEU 31 3HD1 LEU 31 8.710 -0.634 -28.150 156 HD21 LEU 31 1HD2 LEU 31 7.082 1.940 -29.894 157 HD22 LEU 31 2HD2 LEU 31 7.346 1.517 -28.202 158 HD23 LEU 31 3HD2 LEU 31 6.962 0.258 -29.377 159 H THR 32 H THR 32 10.932 4.797 -28.443 160 HA THR 32 HA THR 32 9.154 5.929 -26.608 161 HB THR 32 HB THR 32 11.808 7.129 -27.405 162 HG1 THR 32 HG1 THR 32 12.436 5.142 -26.860 163 HG21 THR 32 1HG2 THR 32 9.919 7.997 -25.594 164 HG22 THR 32 2HG2 THR 32 11.631 8.422 -25.583 165 HG23 THR 32 3HG2 THR 32 11.047 7.086 -24.591 166 H GLU 33 H GLU 33 10.514 7.247 -29.604 167 HA GLU 33 HA GLU 33 9.559 9.847 -29.424 168 HB2 GLU 33 2HB GLU 33 11.124 9.098 -31.159 169 HB3 GLU 33 3HB GLU 33 9.851 8.141 -31.903 170 HG2 GLU 33 2HG GLU 33 8.678 10.045 -32.609 171 HG3 GLU 33 3HG GLU 33 9.604 11.107 -31.550 172 H PHE 34 H PHE 34 8.012 7.107 -31.106 173 HA PHE 34 HA PHE 34 5.639 8.412 -31.769 174 HB2 PHE 34 2HB PHE 34 6.594 5.647 -31.675 175 HB3 PHE 34 3HB PHE 34 4.864 5.791 -31.381 176 HD1 PHE 34 HD1 PHE 34 7.248 7.557 -33.645 177 HD2 PHE 34 HD2 PHE 34 3.673 5.278 -33.268 178 HE1 PHE 34 HE1 PHE 34 6.859 7.772 -36.066 179 HE2 PHE 34 HE2 PHE 34 3.279 5.488 -35.688 180 HZ PHE 34 HZ PHE 34 4.874 6.736 -37.090 181 H PHE 35 H PHE 35 6.491 6.555 -28.878 182 HA PHE 35 HA PHE 35 4.019 6.483 -27.627 183 HB2 PHE 35 2HB PHE 35 6.790 6.119 -26.852 184 HB3 PHE 35 3HB PHE 35 5.863 6.878 -25.563 185 HD1 PHE 35 HD1 PHE 35 3.487 5.740 -25.157 186 HD2 PHE 35 HD2 PHE 35 6.872 3.832 -26.894 187 HE1 PHE 35 HE1 PHE 35 2.572 3.546 -24.523 188 HE2 PHE 35 HE2 PHE 35 5.962 1.635 -26.263 189 HZ PHE 35 HZ PHE 35 3.809 1.490 -25.076 190 H SER 36 H SER 36 6.582 8.925 -27.202 191 HA SER 36 HA SER 36 5.201 10.615 -25.477 192 HB2 SER 36 2HB SER 36 7.676 10.679 -26.268 193 HB3 SER 36 3HB SER 36 7.068 11.699 -27.571 194 HG SER 36 HG SER 36 6.280 12.337 -24.978 195 H LYS 37 H LYS 37 5.165 10.437 -28.995 196 HA LYS 37 HA LYS 37 3.740 12.793 -29.516 197 HB2 LYS 37 2HB LYS 37 4.922 11.327 -31.198 198 HB3 LYS 37 3HB LYS 37 3.551 10.230 -31.102 199 HG2 LYS 37 2HG LYS 37 2.312 12.600 -31.593 200 HG3 LYS 37 3HG LYS 37 3.822 12.792 -32.487 201 HD2 LYS 37 2HD LYS 37 2.439 10.196 -32.785 202 HD3 LYS 37 3HD LYS 37 1.640 11.596 -33.504 203 HE2 LYS 37 2HE LYS 37 4.405 11.738 -34.134 204 HE3 LYS 37 3HE LYS 37 3.851 10.103 -34.491 205 HZ1 LYS 37 1HZ LYS 37 2.606 12.608 -35.491 206 HZ2 LYS 37 2HZ LYS 37 2.073 11.040 -35.834 207 HZ3 LYS 37 3HZ LYS 37 3.581 11.561 -36.395 208 H HIS 38 H HIS 38 2.672 9.587 -28.573 209 HA HIS 38 HA HIS 38 0.018 10.671 -28.032 210 HB2 HIS 38 2HB HIS 38 0.189 9.485 -30.355 211 HB3 HIS 38 3HB HIS 38 0.194 8.006 -29.399 212 HD1 HIS 38 HD1 HIS 38 -2.091 9.547 -31.337 213 HD2 HIS 38 HD2 HIS 38 -2.159 8.661 -27.278 214 HE1 HIS 38 HE1 HIS 38 -4.523 9.508 -30.697 215 H GLY 39 H GLY 39 -0.213 10.315 -25.923 216 HA2 GLY 39 2HA GLY 39 -0.744 8.832 -24.144 217 HA3 GLY 39 3HA GLY 39 0.231 7.594 -24.920 218 H THR 40 H THR 40 0.191 8.875 -22.160 219 HA THR 40 HA THR 40 3.003 9.744 -22.072 220 HB THR 40 HB THR 40 1.334 10.101 -19.658 221 HG1 THR 40 HG1 THR 40 0.958 11.768 -21.939 222 HG21 THR 40 1HG2 THR 40 3.177 11.304 -19.251 223 HG22 THR 40 2HG2 THR 40 2.522 12.496 -20.373 224 HG23 THR 40 3HG2 THR 40 3.660 11.278 -20.946 225 H VAL 41 H VAL 41 4.379 8.226 -21.444 226 HA VAL 41 HA VAL 41 3.469 6.222 -19.481 227 HB VAL 41 HB VAL 41 5.195 4.706 -20.429 228 HG11 VAL 41 1HG1 VAL 41 2.766 4.729 -21.130 229 HG12 VAL 41 2HG1 VAL 41 3.282 5.612 -22.568 230 HG13 VAL 41 3HG1 VAL 41 3.891 3.984 -22.265 231 HG21 VAL 41 1HG2 VAL 41 6.305 5.192 -22.474 232 HG22 VAL 41 2HG2 VAL 41 5.375 6.673 -22.703 233 HG23 VAL 41 3HG2 VAL 41 6.568 6.573 -21.408 234 H GLN 42 H GLN 42 4.839 5.671 -17.796 235 HA GLN 42 HA GLN 42 6.709 7.716 -17.019 236 HB2 GLN 42 2HB GLN 42 5.067 6.347 -15.527 237 HB3 GLN 42 3HB GLN 42 6.340 5.134 -15.538 238 HG2 GLN 42 2HG GLN 42 6.601 7.974 -14.577 239 HG3 GLN 42 3HG GLN 42 6.490 6.533 -13.567 240 HE21 GLN 42 1HE2 GLN 42 8.560 8.713 -14.914 241 HE22 GLN 42 2HE2 GLN 42 10.024 7.798 -14.845 242 H ALA 43 H ALA 43 6.961 4.184 -17.456 243 HA ALA 43 HA ALA 43 9.561 4.472 -18.676 244 HB1 ALA 43 1HB ALA 43 10.555 4.447 -16.626 245 HB2 ALA 43 2HB ALA 43 9.245 3.534 -15.876 246 HB3 ALA 43 3HB ALA 43 10.422 2.710 -16.898 247 H VAL 44 H VAL 44 10.435 2.370 -19.402 248 HA VAL 44 HA VAL 44 8.476 0.202 -19.525 249 HB VAL 44 HB VAL 44 8.007 1.491 -21.527 250 HG11 VAL 44 1HG1 VAL 44 10.922 1.129 -22.216 251 HG12 VAL 44 2HG1 VAL 44 9.697 1.889 -23.233 252 HG13 VAL 44 3HG1 VAL 44 10.167 2.639 -21.707 253 HG21 VAL 44 1HG2 VAL 44 8.149 -1.081 -21.508 254 HG22 VAL 44 2HG2 VAL 44 8.061 -0.258 -23.066 255 HG23 VAL 44 3HG2 VAL 44 9.609 -0.860 -22.473 256 H TRP 45 H TRP 45 9.358 -1.829 -19.793 257 HA TRP 45 HA TRP 45 12.115 -2.209 -20.490 258 HB2 TRP 45 2HB TRP 45 11.259 -2.187 -17.643 259 HB3 TRP 45 3HB TRP 45 12.370 -3.461 -18.136 260 HD1 TRP 45 HD1 TRP 45 14.326 -1.969 -20.015 261 HE1 TRP 45 HE1 TRP 45 15.879 -0.118 -19.126 262 HE3 TRP 45 HE3 TRP 45 11.744 -0.705 -15.787 263 HZ2 TRP 45 HZ2 TRP 45 15.994 1.644 -16.923 264 HZ3 TRP 45 HZ3 TRP 45 12.643 1.073 -14.343 265 HH2 TRP 45 HH2 TRP 45 14.725 2.221 -14.901 266 H ARG 46 H ARG 46 12.738 -4.588 -20.133 267 HA ARG 46 HA ARG 46 10.577 -6.473 -19.956 268 HB2 ARG 46 2HB ARG 46 10.943 -7.391 -22.258 269 HB3 ARG 46 3HB ARG 46 10.173 -5.810 -22.221 270 HG2 ARG 46 2HG ARG 46 13.128 -5.917 -22.490 271 HG3 ARG 46 3HG ARG 46 12.141 -6.360 -23.884 272 HD2 ARG 46 2HD ARG 46 11.225 -3.932 -22.561 273 HD3 ARG 46 3HD ARG 46 12.878 -3.807 -23.162 274 HE ARG 46 HE ARG 46 11.112 -4.909 -25.110 275 HH11 ARG 46 1HH1 ARG 46 12.165 -1.931 -23.646 276 HH12 ARG 46 2HH1 ARG 46 11.766 -0.960 -25.025 277 HH21 ARG 46 1HH2 ARG 46 10.583 -3.642 -26.932 278 HH22 ARG 46 2HH2 ARG 46 10.866 -1.934 -26.893 279 H ARG 47 H ARG 47 11.289 -8.517 -19.513 280 HA ARG 47 HA ARG 47 14.112 -9.155 -19.885 281 HB2 ARG 47 2HB ARG 47 14.398 -9.846 -17.559 282 HB3 ARG 47 3HB ARG 47 13.995 -8.137 -17.656 283 HG2 ARG 47 2HG ARG 47 11.609 -9.720 -17.396 284 HG3 ARG 47 3HG ARG 47 12.752 -10.090 -16.104 285 HD2 ARG 47 2HD ARG 47 12.423 -7.232 -16.720 286 HD3 ARG 47 3HD ARG 47 10.998 -8.028 -16.052 287 HE ARG 47 HE ARG 47 13.386 -7.347 -14.658 288 HH11 ARG 47 1HH1 ARG 47 10.818 -9.692 -14.818 289 HH12 ARG 47 2HH1 ARG 47 10.947 -10.141 -13.149 290 HH21 ARG 47 1HH2 ARG 47 13.566 -7.929 -12.460 291 HH22 ARG 47 2HH2 ARG 47 12.510 -9.137 -11.809 292 H TYR 48 H TYR 48 14.569 -11.463 -19.376 293 HA TYR 48 HA TYR 48 12.234 -13.212 -19.433 294 HB2 TYR 48 2HB TYR 48 13.224 -14.499 -21.348 295 HB3 TYR 48 3HB TYR 48 12.630 -12.899 -21.777 296 HD1 TYR 48 HD1 TYR 48 15.526 -15.068 -21.581 297 HD2 TYR 48 HD2 TYR 48 14.248 -11.055 -22.189 298 HE1 TYR 48 HE1 TYR 48 17.721 -14.521 -22.547 299 HE2 TYR 48 HE2 TYR 48 16.439 -10.498 -23.158 300 HH TYR 48 HH TYR 48 18.397 -11.302 -23.866 301 H PHE 49 H PHE 49 12.526 -14.801 -18.028 302 HA PHE 49 HA PHE 49 15.138 -15.293 -16.902 303 HB2 PHE 49 2HB PHE 49 12.342 -16.062 -16.250 304 HB3 PHE 49 3HB PHE 49 13.619 -17.137 -15.690 305 HD1 PHE 49 HD1 PHE 49 12.015 -13.910 -15.283 306 HD2 PHE 49 HD2 PHE 49 15.307 -16.334 -14.100 307 HE1 PHE 49 HE1 PHE 49 12.413 -12.425 -13.362 308 HE2 PHE 49 HE2 PHE 49 15.710 -14.854 -12.176 309 HZ PHE 49 HZ PHE 49 14.262 -12.897 -11.805 310 H ALA 50 H ALA 50 16.532 -16.683 -17.739 311 HA ALA 50 HA ALA 50 15.749 -18.596 -19.732 312 HB1 ALA 50 1HB ALA 50 17.915 -17.315 -19.723 313 HB2 ALA 50 2HB ALA 50 18.444 -18.370 -18.412 314 HB3 ALA 50 3HB ALA 50 18.062 -19.052 -19.992 315 H GLY 51 H GLY 51 16.499 -18.661 -16.316 316 HA2 GLY 51 2HA GLY 51 15.903 -20.323 -14.795 317 HA3 GLY 51 3HA GLY 51 15.469 -21.365 -16.141 318 H LYS 52 H LYS 52 17.677 -20.839 -13.701 319 HA LYS 52 HA LYS 52 19.508 -22.801 -14.882 320 HB2 LYS 52 2HB LYS 52 20.261 -20.159 -13.649 321 HB3 LYS 52 3HB LYS 52 21.398 -21.498 -13.738 322 HG2 LYS 52 2HG LYS 52 21.965 -20.753 -15.746 323 HG3 LYS 52 3HG LYS 52 20.379 -21.284 -16.311 324 HD2 LYS 52 2HD LYS 52 19.473 -19.156 -16.168 325 HD3 LYS 52 3HD LYS 52 20.683 -18.610 -15.005 326 HE2 LYS 52 2HE LYS 52 20.951 -17.641 -17.283 327 HE3 LYS 52 3HE LYS 52 22.367 -18.518 -16.705 328 HZ1 LYS 52 1HZ LYS 52 22.067 -20.183 -18.208 329 HZ2 LYS 52 2HZ LYS 52 21.424 -18.899 -19.102 330 HZ3 LYS 52 3HZ LYS 52 20.391 -19.974 -18.303 331 H LYS 53 H LYS 53 17.605 -23.608 -13.205 332 HA LYS 53 HA LYS 53 19.127 -24.378 -10.847 333 HB2 LYS 53 2HB LYS 53 17.323 -23.831 -9.297 334 HB3 LYS 53 3HB LYS 53 17.889 -22.384 -10.122 335 HG2 LYS 53 2HG LYS 53 15.699 -23.631 -11.541 336 HG3 LYS 53 3HG LYS 53 15.268 -23.241 -9.874 337 HD2 LYS 53 2HD LYS 53 15.496 -20.989 -10.198 338 HD3 LYS 53 3HD LYS 53 16.722 -21.184 -11.453 339 HE2 LYS 53 2HE LYS 53 14.980 -20.536 -12.763 340 HE3 LYS 53 3HE LYS 53 14.670 -22.271 -12.743 341 HZ1 LYS 53 1HZ LYS 53 12.948 -22.026 -11.230 342 HZ2 LYS 53 2HZ LYS 53 12.740 -20.694 -12.251 343 HZ3 LYS 53 3HZ LYS 53 13.452 -20.490 -10.730 344 H ASP 54 H ASP 54 17.663 -25.964 -9.498 345 HA ASP 54 HA ASP 54 16.643 -27.919 -11.424 346 HB2 ASP 54 2HB ASP 54 18.433 -28.353 -9.533 347 HB3 ASP 54 3HB ASP 54 17.004 -28.539 -8.520 348 H ALA 55 H ALA 55 15.127 -25.545 -10.492 349 HA ALA 55 HA ALA 55 12.858 -26.932 -9.220 350 HB1 ALA 55 1HB ALA 55 12.814 -25.292 -7.730 351 HB2 ALA 55 2HB ALA 55 14.152 -24.481 -8.545 352 HB3 ALA 55 3HB ALA 55 12.489 -24.141 -9.027 353 HA PRO 56 HA PRO 56 10.308 -26.140 -12.702 354 HB2 PRO 56 2HB PRO 56 7.931 -25.508 -11.553 355 HB3 PRO 56 3HB PRO 56 8.591 -27.147 -11.554 356 HG2 PRO 56 2HG PRO 56 8.652 -25.082 -9.388 357 HG3 PRO 56 3HG PRO 56 8.322 -26.820 -9.268 358 HD2 PRO 56 2HD PRO 56 10.729 -25.747 -8.644 359 HD3 PRO 56 3HD PRO 56 10.558 -27.376 -9.328 360 HA PRO 57 HA PRO 57 10.019 -21.873 -13.726 361 HB2 PRO 57 2HB PRO 57 7.776 -21.772 -15.253 362 HB3 PRO 57 3HB PRO 57 9.283 -22.511 -15.807 363 HG2 PRO 57 2HG PRO 57 6.834 -23.817 -14.686 364 HG3 PRO 57 3HG PRO 57 7.831 -24.309 -16.067 365 HD2 PRO 57 2HD PRO 57 8.048 -25.466 -13.629 366 HD3 PRO 57 3HD PRO 57 9.432 -25.283 -14.726 367 H GLU 58 H GLU 58 9.636 -20.650 -11.932 368 HA GLU 58 HA GLU 58 6.918 -20.504 -10.864 369 HB2 GLU 58 2HB GLU 58 8.965 -20.788 -9.379 370 HB3 GLU 58 3HB GLU 58 9.369 -19.124 -9.779 371 HG2 GLU 58 2HG GLU 58 8.211 -18.673 -7.915 372 HG3 GLU 58 3HG GLU 58 6.821 -18.805 -8.991 373 H SER 59 H SER 59 9.447 -18.419 -12.207 374 HA SER 59 HA SER 59 7.730 -16.095 -12.166 375 HB2 SER 59 2HB SER 59 9.770 -15.214 -13.612 376 HB3 SER 59 3HB SER 59 9.913 -15.415 -11.866 377 HG SER 59 HG SER 59 10.623 -17.434 -13.722 378 H ARG 60 H ARG 60 7.481 -14.795 -14.213 379 HA ARG 60 HA ARG 60 6.637 -16.599 -16.372 380 HB2 ARG 60 2HB ARG 60 5.750 -13.814 -15.619 381 HB3 ARG 60 3HB ARG 60 5.261 -14.611 -17.108 382 HG2 ARG 60 2HG ARG 60 4.713 -15.620 -14.325 383 HG3 ARG 60 3HG ARG 60 3.557 -14.788 -15.367 384 HD2 ARG 60 2HD ARG 60 3.018 -16.715 -16.326 385 HD3 ARG 60 3HD ARG 60 4.691 -16.939 -16.836 386 HE ARG 60 HE ARG 60 4.420 -17.676 -14.131 387 HH11 ARG 60 1HH1 ARG 60 3.551 -18.747 -17.328 388 HH12 ARG 60 2HH1 ARG 60 3.515 -20.425 -16.897 389 HH21 ARG 60 1HH2 ARG 60 4.376 -19.882 -13.552 390 HH22 ARG 60 2HH2 ARG 60 3.984 -21.069 -14.749 391 H THR 61 H THR 61 7.964 -16.726 -18.047 392 HA THR 61 HA THR 61 9.574 -14.363 -18.759 393 HB THR 61 HB THR 61 11.066 -16.118 -18.182 394 HG1 THR 61 HG1 THR 61 12.195 -15.833 -19.947 395 HG21 THR 61 1HG2 THR 61 9.001 -17.804 -19.301 396 HG22 THR 61 2HG2 THR 61 10.312 -18.219 -18.197 397 HG23 THR 61 3HG2 THR 61 10.588 -18.231 -19.939 398 H LYS 62 H LYS 62 8.556 -13.313 -20.352 399 HA LYS 62 HA LYS 62 7.899 -14.817 -22.778 400 HB2 LYS 62 2HB LYS 62 5.842 -13.269 -22.977 401 HB3 LYS 62 3HB LYS 62 5.742 -14.656 -21.900 402 HG2 LYS 62 2HG LYS 62 6.682 -12.137 -20.689 403 HG3 LYS 62 3HG LYS 62 4.994 -12.181 -21.205 404 HD2 LYS 62 2HD LYS 62 5.900 -14.562 -19.741 405 HD3 LYS 62 3HD LYS 62 5.902 -13.069 -18.800 406 HE2 LYS 62 2HE LYS 62 3.737 -13.536 -18.446 407 HE3 LYS 62 3HE LYS 62 3.502 -12.909 -20.077 408 HZ1 LYS 62 1HZ LYS 62 3.868 -15.259 -20.851 409 HZ2 LYS 62 2HZ LYS 62 2.429 -14.982 -20.007 410 HZ3 LYS 62 3HZ LYS 62 3.730 -15.738 -19.235 411 HA PRO 63 HA PRO 63 9.837 -11.513 -24.919 412 HB2 PRO 63 2HB PRO 63 8.387 -11.405 -27.211 413 HB3 PRO 63 3HB PRO 63 9.517 -12.716 -26.849 414 HG2 PRO 63 2HG PRO 63 6.539 -12.647 -26.554 415 HG3 PRO 63 3HG PRO 63 7.570 -13.941 -27.190 416 HD2 PRO 63 2HD PRO 63 6.572 -13.978 -24.673 417 HD3 PRO 63 3HD PRO 63 8.146 -14.688 -25.087 418 H SER 64 H SER 64 6.481 -11.315 -24.134 419 HA SER 64 HA SER 64 5.736 -8.860 -25.165 420 HB2 SER 64 2HB SER 64 4.798 -10.639 -23.085 421 HB3 SER 64 3HB SER 64 4.598 -8.955 -22.601 422 HG SER 64 HG SER 64 2.927 -10.161 -24.012 423 H VAL 65 H VAL 65 5.674 -6.744 -24.272 424 HA VAL 65 HA VAL 65 7.990 -6.168 -22.561 425 HB VAL 65 HB VAL 65 7.740 -3.825 -23.382 426 HG11 VAL 65 1HG1 VAL 65 9.084 -5.810 -24.488 427 HG12 VAL 65 2HG1 VAL 65 7.957 -5.522 -25.815 428 HG13 VAL 65 3HG1 VAL 65 9.002 -4.220 -25.245 429 HG21 VAL 65 1HG2 VAL 65 5.249 -4.765 -24.265 430 HG22 VAL 65 2HG2 VAL 65 5.944 -3.164 -24.513 431 HG23 VAL 65 3HG2 VAL 65 6.187 -4.426 -25.720 432 H PHE 66 H PHE 66 7.825 -4.811 -20.773 433 HA PHE 66 HA PHE 66 5.097 -4.525 -19.714 434 HB2 PHE 66 2HB PHE 66 7.659 -4.433 -18.121 435 HB3 PHE 66 3HB PHE 66 6.019 -4.636 -17.514 436 HD1 PHE 66 HD1 PHE 66 8.869 -6.330 -17.679 437 HD2 PHE 66 HD2 PHE 66 4.878 -6.713 -19.108 438 HE1 PHE 66 HE1 PHE 66 9.142 -8.773 -17.776 439 HE2 PHE 66 HE2 PHE 66 5.144 -9.157 -19.206 440 HZ PHE 66 HZ PHE 66 7.278 -10.190 -18.539 441 H VAL 67 H VAL 67 4.264 -2.558 -19.521 442 HA VAL 67 HA VAL 67 6.104 -0.254 -19.455 443 HB VAL 67 HB VAL 67 4.376 1.059 -20.621 444 HG11 VAL 67 1HG1 VAL 67 4.614 -1.093 -22.555 445 HG12 VAL 67 2HG1 VAL 67 5.321 0.524 -22.570 446 HG13 VAL 67 3HG1 VAL 67 6.128 -0.784 -21.706 447 HG21 VAL 67 1HG2 VAL 67 2.579 -0.326 -21.811 448 HG22 VAL 67 2HG2 VAL 67 2.924 -1.570 -20.609 449 HG23 VAL 67 3HG2 VAL 67 2.346 0.016 -20.096 450 H VAL 68 H VAL 68 5.700 1.357 -18.002 451 HA VAL 68 HA VAL 68 3.401 0.968 -16.197 452 HB VAL 68 HB VAL 68 6.099 2.059 -15.393 453 HG11 VAL 68 1HG1 VAL 68 3.592 1.387 -13.873 454 HG12 VAL 68 2HG1 VAL 68 5.161 1.588 -13.090 455 HG13 VAL 68 3HG1 VAL 68 4.432 2.935 -13.966 456 HG21 VAL 68 1HG2 VAL 68 6.820 -0.043 -15.316 457 HG22 VAL 68 2HG2 VAL 68 5.618 -0.355 -14.064 458 HG23 VAL 68 3HG2 VAL 68 5.228 -0.662 -15.756 459 H PHE 69 H PHE 69 1.995 2.571 -16.402 460 HA PHE 69 HA PHE 69 2.797 5.127 -17.491 461 HB2 PHE 69 2HB PHE 69 0.142 3.948 -16.688 462 HB3 PHE 69 3HB PHE 69 0.306 5.632 -17.172 463 HD1 PHE 69 HD1 PHE 69 1.281 2.240 -18.383 464 HD2 PHE 69 HD2 PHE 69 -0.094 6.145 -19.369 465 HE1 PHE 69 HE1 PHE 69 1.090 1.573 -20.744 466 HE2 PHE 69 HE2 PHE 69 -0.288 5.485 -21.731 467 HZ PHE 69 HZ PHE 69 0.303 3.196 -22.421 468 H ASN 70 H ASN 70 2.610 7.126 -16.459 469 HA ASN 70 HA ASN 70 2.983 7.010 -13.582 470 HB2 ASN 70 2HB ASN 70 4.570 8.390 -14.654 471 HB3 ASN 70 3HB ASN 70 3.343 9.169 -15.650 472 HD21 ASN 70 1HD2 ASN 70 4.929 9.098 -12.594 473 HD22 ASN 70 2HD2 ASN 70 4.222 10.537 -11.951 474 H SER 71 H SER 71 0.780 8.501 -15.917 475 HA SER 71 HA SER 71 -0.827 9.736 -13.878 476 HB2 SER 71 2HB SER 71 -1.125 9.413 -16.861 477 HB3 SER 71 3HB SER 71 -2.403 10.121 -15.872 478 HG SER 71 HG SER 71 -0.316 11.346 -16.855 479 H SER 72 H SER 72 -2.498 8.893 -12.815 480 HA SER 72 HA SER 72 -3.117 6.158 -12.939 481 HB2 SER 72 2HB SER 72 -3.766 6.893 -10.894 482 HB3 SER 72 3HB SER 72 -4.124 8.515 -11.483 483 HG SER 72 HG SER 72 -5.756 6.211 -11.546 484 H GLU 73 H GLU 73 -4.954 8.985 -14.080 485 HA GLU 73 HA GLU 73 -7.169 7.669 -15.097 486 HB2 GLU 73 2HB GLU 73 -6.432 10.248 -14.975 487 HB3 GLU 73 3HB GLU 73 -6.120 9.949 -16.679 488 HG2 GLU 73 2HG GLU 73 -8.517 8.949 -16.669 489 HG3 GLU 73 3HG GLU 73 -8.703 9.891 -15.191 490 H GLU 74 H GLU 74 -4.312 8.719 -16.963 491 HA GLU 74 HA GLU 74 -5.004 7.406 -19.335 492 HB2 GLU 74 2HB GLU 74 -2.974 9.080 -18.538 493 HB3 GLU 74 3HB GLU 74 -2.122 7.569 -18.824 494 HG2 GLU 74 2HG GLU 74 -2.001 8.593 -20.877 495 HG3 GLU 74 3HG GLU 74 -3.409 7.550 -21.068 496 H ALA 75 H ALA 75 -3.299 6.289 -16.481 497 HA ALA 75 HA ALA 75 -2.192 3.929 -17.474 498 HB1 ALA 75 1HB ALA 75 -2.731 3.207 -14.950 499 HB2 ALA 75 2HB ALA 75 -1.406 4.287 -15.385 500 HB3 ALA 75 3HB ALA 75 -2.932 4.953 -14.805 501 H GLU 76 H GLU 76 -5.307 4.354 -15.782 502 HA GLU 76 HA GLU 76 -6.173 1.698 -16.161 503 HB2 GLU 76 2HB GLU 76 -7.798 4.206 -15.701 504 HB3 GLU 76 3HB GLU 76 -8.413 2.565 -15.565 505 HG2 GLU 76 2HG GLU 76 -6.553 2.231 -13.827 506 HG3 GLU 76 3HG GLU 76 -6.462 3.991 -13.802 507 H ALA 77 H ALA 77 -6.643 4.647 -18.042 508 HA ALA 77 HA ALA 77 -8.559 3.763 -19.847 509 HB1 ALA 77 1HB ALA 77 -7.493 5.436 -21.425 510 HB2 ALA 77 2HB ALA 77 -8.016 6.056 -19.858 511 HB3 ALA 77 3HB ALA 77 -6.307 5.731 -20.152 512 H PHE 78 H PHE 78 -5.013 3.595 -20.137 513 HA PHE 78 HA PHE 78 -5.042 2.200 -22.606 514 HB2 PHE 78 2HB PHE 78 -2.985 2.866 -20.554 515 HB3 PHE 78 3HB PHE 78 -2.613 1.587 -21.706 516 HD1 PHE 78 HD1 PHE 78 -1.726 2.129 -23.767 517 HD2 PHE 78 HD2 PHE 78 -3.816 5.105 -21.556 518 HE1 PHE 78 HE1 PHE 78 -1.076 3.819 -25.434 519 HE2 PHE 78 HE2 PHE 78 -3.171 6.799 -23.219 520 HZ PHE 78 HZ PHE 78 -1.800 6.157 -25.162 521 H GLN 79 H GLN 79 -4.879 1.179 -19.236 522 HA GLN 79 HA GLN 79 -4.250 -1.505 -19.586 523 HB2 GLN 79 2HB GLN 79 -4.966 0.126 -17.453 524 HB3 GLN 79 3HB GLN 79 -6.230 -1.096 -17.493 525 HG2 GLN 79 2HG GLN 79 -4.796 -2.802 -16.990 526 HG3 GLN 79 3HG GLN 79 -3.399 -1.976 -17.677 527 HE21 GLN 79 1HE2 GLN 79 -3.281 0.359 -16.435 528 HE22 GLN 79 2HE2 GLN 79 -3.102 0.164 -14.728 529 H LYS 80 H LYS 80 -7.424 0.079 -19.598 530 HA LYS 80 HA LYS 80 -8.992 -2.222 -19.878 531 HB2 LYS 80 2HB LYS 80 -9.791 0.116 -19.349 532 HB3 LYS 80 3HB LYS 80 -9.621 0.484 -21.060 533 HG2 LYS 80 2HG LYS 80 -11.307 -1.086 -21.648 534 HG3 LYS 80 3HG LYS 80 -11.353 -1.738 -20.008 535 HD2 LYS 80 2HD LYS 80 -13.094 -0.344 -19.738 536 HD3 LYS 80 3HD LYS 80 -11.854 0.899 -19.556 537 HE2 LYS 80 2HE LYS 80 -11.988 1.243 -22.043 538 HE3 LYS 80 3HE LYS 80 -13.396 0.182 -22.043 539 HZ1 LYS 80 1HZ LYS 80 -13.486 2.341 -20.117 540 HZ2 LYS 80 2HZ LYS 80 -14.690 1.764 -21.155 541 HZ3 LYS 80 3HZ LYS 80 -13.515 2.834 -21.735 542 H ALA 81 H ALA 81 -8.322 0.123 -22.480 543 HA ALA 81 HA ALA 81 -8.161 -2.147 -24.353 544 HB1 ALA 81 1HB ALA 81 -10.040 -1.337 -25.254 545 HB2 ALA 81 2HB ALA 81 -9.890 0.204 -24.408 546 HB3 ALA 81 3HB ALA 81 -9.012 -0.065 -25.914 547 HA PRO 82 HA PRO 82 -4.344 -0.562 -25.825 548 HB2 PRO 82 2HB PRO 82 -4.505 -1.034 -28.494 549 HB3 PRO 82 3HB PRO 82 -4.292 -2.321 -27.302 550 HG2 PRO 82 2HG PRO 82 -6.789 -1.410 -28.679 551 HG3 PRO 82 3HG PRO 82 -6.229 -3.061 -28.355 552 HD2 PRO 82 2HD PRO 82 -8.106 -1.835 -26.837 553 HD3 PRO 82 3HD PRO 82 -6.959 -3.015 -26.170 554 HA PRO 83 HA PRO 83 -4.629 3.548 -27.361 555 HB2 PRO 83 2HB PRO 83 -2.404 3.771 -28.900 556 HB3 PRO 83 3HB PRO 83 -2.348 3.700 -27.135 557 HG2 PRO 83 2HG PRO 83 -1.873 1.523 -29.134 558 HG3 PRO 83 3HG PRO 83 -0.968 1.902 -27.657 559 HD2 PRO 83 2HD PRO 83 -2.795 -0.094 -27.775 560 HD3 PRO 83 3HD PRO 83 -2.500 0.845 -26.297 561 H MET 84 H MET 84 -4.048 1.061 -29.801 562 HA MET 84 HA MET 84 -4.810 0.793 -31.926 563 HB2 MET 84 2HB MET 84 -6.892 2.217 -30.531 564 HB3 MET 84 3HB MET 84 -6.837 2.724 -32.214 565 HG2 MET 84 2HG MET 84 -6.611 -0.086 -32.188 566 HG3 MET 84 3HG MET 84 -7.919 0.346 -31.088 567 HE1 MET 84 1HE MET 84 -10.376 -0.226 -32.652 568 HE2 MET 84 2HE MET 84 -9.941 1.043 -31.507 569 HE3 MET 84 3HE MET 84 -10.725 1.461 -33.031 570 H TYR 85 H TYR 85 -3.033 1.533 -33.034 571 HA TYR 85 HA TYR 85 -3.146 4.340 -33.928 572 HB2 TYR 85 2HB TYR 85 -1.073 3.069 -32.559 573 HB3 TYR 85 3HB TYR 85 -0.534 3.109 -34.235 574 HD1 TYR 85 HD1 TYR 85 0.114 4.711 -31.431 575 HD2 TYR 85 HD2 TYR 85 -1.593 5.635 -35.218 576 HE1 TYR 85 HE1 TYR 85 0.785 7.060 -31.154 577 HE2 TYR 85 HE2 TYR 85 -0.926 7.987 -34.951 578 HH TYR 85 HH TYR 85 0.620 9.335 -33.732 579 H ASP 86 H ASP 86 -3.382 4.658 -36.040 580 HA ASP 86 HA ASP 86 -3.889 2.626 -37.861 581 HB2 ASP 86 2HB ASP 86 -3.014 5.482 -38.319 582 HB3 ASP 86 3HB ASP 86 -3.533 4.408 -39.614 583 H ASP 87 H ASP 87 -0.891 4.435 -37.304 584 HA ASP 87 HA ASP 87 0.657 3.439 -39.365 585 HB2 ASP 87 2HB ASP 87 1.189 4.590 -36.698 586 HB3 ASP 87 3HB ASP 87 2.497 3.621 -37.373 587 H VAL 88 H VAL 88 0.683 2.186 -36.021 588 HA VAL 88 HA VAL 88 1.136 -0.504 -37.125 589 HB VAL 88 HB VAL 88 2.543 0.640 -34.708 590 HG11 VAL 88 1HG1 VAL 88 2.365 -1.600 -34.211 591 HG12 VAL 88 2HG1 VAL 88 2.395 -2.089 -35.907 592 HG13 VAL 88 3HG1 VAL 88 3.881 -1.570 -35.110 593 HG21 VAL 88 1HG2 VAL 88 4.582 0.447 -36.056 594 HG22 VAL 88 2HG2 VAL 88 3.616 -0.062 -37.441 595 HG23 VAL 88 3HG2 VAL 88 3.426 1.563 -36.783 596 H GLN 89 H GLN 89 -0.195 -2.008 -36.345 597 HA GLN 89 HA GLN 89 -2.285 -1.356 -34.568 598 HB2 GLN 89 2HB GLN 89 -1.474 -3.635 -36.160 599 HB3 GLN 89 3HB GLN 89 -2.086 -4.145 -34.592 600 HG2 GLN 89 2HG GLN 89 -4.005 -2.423 -35.210 601 HG3 GLN 89 3HG GLN 89 -3.486 -2.832 -36.844 602 HE21 GLN 89 1HE2 GLN 89 -5.724 -3.544 -34.672 603 HE22 GLN 89 2HE2 GLN 89 -6.009 -5.211 -35.024 604 H LEU 90 H LEU 90 -2.276 -1.225 -32.431 605 HA LEU 90 HA LEU 90 -0.083 -2.483 -30.945 606 HB2 LEU 90 2HB LEU 90 -1.457 0.022 -30.758 607 HB3 LEU 90 3HB LEU 90 -1.635 -0.860 -29.242 608 HG LEU 90 HG LEU 90 0.254 0.614 -29.083 609 HD11 LEU 90 1HD1 LEU 90 1.679 -0.868 -28.121 610 HD12 LEU 90 2HD1 LEU 90 1.646 -1.969 -29.497 611 HD13 LEU 90 3HD1 LEU 90 0.301 -1.942 -28.357 612 HD21 LEU 90 1HD2 LEU 90 1.243 -0.757 -31.579 613 HD22 LEU 90 2HD2 LEU 90 2.207 0.334 -30.584 614 HD23 LEU 90 3HD2 LEU 90 0.769 0.933 -31.412 615 H THR 91 H THR 91 -0.424 -3.960 -29.357 616 HA THR 91 HA THR 91 -3.212 -4.703 -28.768 617 HB THR 91 HB THR 91 -1.023 -6.759 -28.939 618 HG1 THR 91 HG1 THR 91 -2.542 -5.600 -31.009 619 HG21 THR 91 1HG2 THR 91 -2.711 -7.941 -28.040 620 HG22 THR 91 2HG2 THR 91 -3.394 -7.917 -29.665 621 HG23 THR 91 3HG2 THR 91 -3.914 -6.727 -28.472 622 H ALA 92 H ALA 92 -3.439 -4.002 -26.722 623 HA ALA 92 HA ALA 92 -1.356 -4.734 -24.772 624 HB1 ALA 92 1HB ALA 92 -1.482 -2.674 -23.961 625 HB2 ALA 92 2HB ALA 92 -2.595 -2.262 -25.267 626 HB3 ALA 92 3HB ALA 92 -3.222 -2.833 -23.721 627 H GLU 93 H GLU 93 -1.925 -5.745 -22.861 628 HA GLU 93 HA GLU 93 -4.681 -6.783 -22.755 629 HB2 GLU 93 2HB GLU 93 -2.042 -8.075 -22.318 630 HB3 GLU 93 3HB GLU 93 -3.360 -8.582 -21.272 631 HG2 GLU 93 2HG GLU 93 -3.734 -8.502 -24.234 632 HG3 GLU 93 3HG GLU 93 -2.909 -9.860 -23.471 633 H MET 94 H MET 94 -5.342 -7.463 -20.498 634 HA MET 94 HA MET 94 -4.568 -5.333 -18.630 635 HB2 MET 94 2HB MET 94 -7.041 -5.956 -19.469 636 HB3 MET 94 3HB MET 94 -6.938 -7.034 -18.083 637 HG2 MET 94 2HG MET 94 -6.541 -5.200 -16.603 638 HG3 MET 94 3HG MET 94 -6.403 -4.079 -17.955 639 HE1 MET 94 1HE MET 94 -8.192 -2.913 -15.957 640 HE2 MET 94 2HE MET 94 -8.164 -2.329 -17.620 641 HE3 MET 94 3HE MET 94 -9.706 -2.624 -16.815 642 H LYS 95 H LYS 95 -4.226 -5.813 -16.414 643 HA LYS 95 HA LYS 95 -2.649 -8.078 -15.925 644 HB2 LYS 95 2HB LYS 95 -2.783 -7.402 -13.539 645 HB3 LYS 95 3HB LYS 95 -2.369 -6.071 -14.611 646 HG2 LYS 95 2HG LYS 95 -4.728 -5.336 -14.547 647 HG3 LYS 95 3HG LYS 95 -5.062 -6.619 -13.381 648 HD2 LYS 95 2HD LYS 95 -3.657 -5.631 -11.752 649 HD3 LYS 95 3HD LYS 95 -2.946 -4.526 -12.930 650 HE2 LYS 95 2HE LYS 95 -5.574 -3.886 -13.133 651 HE3 LYS 95 3HE LYS 95 -5.469 -4.336 -11.432 652 HZ1 LYS 95 1HZ LYS 95 -4.857 -2.191 -11.235 653 HZ2 LYS 95 2HZ LYS 95 -4.297 -2.070 -12.827 654 HZ3 LYS 95 3HZ LYS 95 -3.328 -2.792 -11.642 655 H THR 96 H THR 96 -6.058 -7.442 -15.354 656 HA THR 96 HA THR 96 -6.619 -9.659 -13.719 657 HB THR 96 HB THR 96 -8.581 -8.509 -15.695 658 HG1 THR 96 HG1 THR 96 -8.981 -6.887 -14.134 659 HG21 THR 96 1HG2 THR 96 -9.468 -10.364 -14.502 660 HG22 THR 96 2HG2 THR 96 -10.131 -8.918 -13.740 661 HG23 THR 96 3HG2 THR 96 -8.801 -9.788 -12.975 662 H THR 97 H THR 97 -6.797 -9.258 -17.243 663 HA THR 97 HA THR 97 -7.822 -11.773 -17.880 664 HB THR 97 HB THR 97 -5.823 -10.280 -19.579 665 HG1 THR 97 HG1 THR 97 -8.599 -9.813 -19.163 666 HG21 THR 97 1HG2 THR 97 -6.279 -11.888 -21.052 667 HG22 THR 97 2HG2 THR 97 -7.956 -11.344 -21.076 668 HG23 THR 97 3HG2 THR 97 -7.455 -12.610 -19.955 669 H TYR 98 H TYR 98 -4.416 -10.719 -17.798 670 HA TYR 98 HA TYR 98 -3.263 -13.178 -18.423 671 HB2 TYR 98 2HB TYR 98 -2.369 -10.622 -17.354 672 HB3 TYR 98 3HB TYR 98 -1.462 -11.973 -16.681 673 HD1 TYR 98 HD1 TYR 98 -1.759 -9.746 -19.416 674 HD2 TYR 98 HD2 TYR 98 -0.526 -13.690 -18.401 675 HE1 TYR 98 HE1 TYR 98 -0.395 -9.839 -21.461 676 HE2 TYR 98 HE2 TYR 98 0.843 -13.793 -20.442 677 HH TYR 98 HH TYR 98 1.992 -11.735 -21.994 678 H LEU 99 H LEU 99 -3.916 -11.758 -15.225 679 HA LEU 99 HA LEU 99 -2.919 -13.792 -13.637 680 HB2 LEU 99 2HB LEU 99 -3.625 -11.692 -12.704 681 HB3 LEU 99 3HB LEU 99 -5.293 -11.993 -13.188 682 HG LEU 99 HG LEU 99 -5.085 -14.053 -11.597 683 HD11 LEU 99 1HD1 LEU 99 -3.074 -14.241 -10.652 684 HD12 LEU 99 2HD1 LEU 99 -3.549 -12.871 -9.649 685 HD13 LEU 99 3HD1 LEU 99 -2.607 -12.604 -11.115 686 HD21 LEU 99 1HD2 LEU 99 -5.161 -11.522 -10.065 687 HD22 LEU 99 2HD2 LEU 99 -6.301 -12.868 -10.095 688 HD23 LEU 99 3HD2 LEU 99 -6.299 -11.684 -11.403 689 H GLU 100 H GLU 100 -6.109 -13.499 -15.139 690 HA GLU 100 HA GLU 100 -7.231 -15.806 -13.951 691 HB2 GLU 100 2HB GLU 100 -8.416 -13.877 -15.174 692 HB3 GLU 100 3HB GLU 100 -8.020 -14.742 -16.653 693 HG2 GLU 100 2HG GLU 100 -9.251 -16.692 -15.840 694 HG3 GLU 100 3HG GLU 100 -9.659 -15.813 -14.367 695 H ARG 101 H ARG 101 -5.476 -15.271 -16.969 696 HA ARG 101 HA ARG 101 -5.848 -17.793 -18.117 697 HB2 ARG 101 2HB ARG 101 -4.334 -15.466 -18.674 698 HB3 ARG 101 3HB ARG 101 -3.215 -16.822 -18.707 699 HG2 ARG 101 2HG ARG 101 -3.954 -16.659 -20.900 700 HG3 ARG 101 3HG ARG 101 -4.942 -17.955 -20.225 701 HD2 ARG 101 2HD ARG 101 -6.823 -16.815 -20.579 702 HD3 ARG 101 3HD ARG 101 -6.164 -15.367 -19.818 703 HE ARG 101 HE ARG 101 -5.055 -15.655 -22.385 704 HH11 ARG 101 1HH1 ARG 101 -8.070 -14.885 -20.824 705 HH12 ARG 101 2HH1 ARG 101 -8.639 -13.891 -22.124 706 HH21 ARG 101 1HH2 ARG 101 -5.794 -14.349 -24.104 707 HH22 ARG 101 2HH2 ARG 101 -7.344 -13.588 -23.990 708 H LYS 102 H LYS 102 -3.048 -16.618 -16.242 709 HA LYS 102 HA LYS 102 -1.715 -19.073 -16.091 710 HB2 LYS 102 2HB LYS 102 -0.493 -18.075 -14.186 711 HB3 LYS 102 3HB LYS 102 -0.589 -16.991 -15.568 712 HG2 LYS 102 2HG LYS 102 -2.465 -15.817 -14.470 713 HG3 LYS 102 3HG LYS 102 -2.252 -16.858 -13.061 714 HD2 LYS 102 2HD LYS 102 -0.102 -15.075 -14.199 715 HD3 LYS 102 3HD LYS 102 -1.155 -14.629 -12.854 716 HE2 LYS 102 2HE LYS 102 0.000 -17.212 -12.380 717 HE3 LYS 102 3HE LYS 102 1.271 -16.049 -12.755 718 HZ1 LYS 102 1HZ LYS 102 -0.507 -16.179 -10.459 719 HZ2 LYS 102 2HZ LYS 102 -0.186 -14.630 -11.057 720 HZ3 LYS 102 3HZ LYS 102 1.089 -15.626 -10.564 721 H ALA 103 H ALA 103 -4.122 -17.613 -13.954 722 HA ALA 103 HA ALA 103 -4.016 -19.438 -11.853 723 HB1 ALA 103 1HB ALA 103 -6.515 -18.086 -12.854 724 HB2 ALA 103 2HB ALA 103 -6.176 -18.647 -11.216 725 HB3 ALA 103 3HB ALA 103 -5.281 -17.282 -11.883 726 H GLU 104 H GLU 104 -5.976 -19.519 -14.817 727 HA GLU 104 HA GLU 104 -7.290 -21.954 -14.193 728 HB2 GLU 104 2HB GLU 104 -8.104 -20.259 -15.844 729 HB3 GLU 104 3HB GLU 104 -6.815 -20.762 -16.928 730 HG2 GLU 104 2HG GLU 104 -7.832 -22.714 -17.467 731 HG3 GLU 104 3HG GLU 104 -8.612 -22.873 -15.894 732 H GLU 105 H GLU 105 -4.320 -21.159 -15.893 733 HA GLU 105 HA GLU 105 -3.821 -23.642 -17.084 734 HB2 GLU 105 2HB GLU 105 -2.551 -21.663 -17.688 735 HB3 GLU 105 3HB GLU 105 -1.883 -21.559 -16.066 736 HG2 GLU 105 2HG GLU 105 -0.236 -22.946 -16.575 737 HG3 GLU 105 3HG GLU 105 -1.360 -24.144 -17.213 738 H ILE 106 H ILE 106 -2.550 -22.352 -14.011 739 HA ILE 106 HA ILE 106 -1.296 -24.747 -13.214 740 HB ILE 106 HB ILE 106 -0.694 -22.600 -12.226 741 HG12 ILE 106 2HG1 ILE 106 -1.726 -23.910 -9.809 742 HG13 ILE 106 3HG1 ILE 106 -0.901 -25.003 -10.915 743 HG21 ILE 106 1HG2 ILE 106 -2.947 -21.616 -12.209 744 HG22 ILE 106 2HG2 ILE 106 -3.390 -22.686 -10.880 745 HG23 ILE 106 3HG2 ILE 106 -2.141 -21.463 -10.648 746 HD11 ILE 106 1HD1 ILE 106 0.167 -22.747 -9.323 747 HD12 ILE 106 2HD1 ILE 106 0.860 -24.335 -9.653 748 HD13 ILE 106 3HD1 ILE 106 0.907 -23.078 -10.889 749 H ALA 107 H ALA 107 -4.544 -23.498 -12.747 750 HA ALA 107 HA ALA 107 -5.402 -25.297 -10.767 751 HB1 ALA 107 1HB ALA 107 -6.587 -23.213 -11.467 752 HB2 ALA 107 2HB ALA 107 -7.121 -24.070 -12.914 753 HB3 ALA 107 3HB ALA 107 -7.627 -24.630 -11.320 754 H ALA 108 H ALA 108 -5.386 -25.514 -14.293 755 HA ALA 108 HA ALA 108 -6.865 -27.903 -14.513 756 HB1 ALA 108 1HB ALA 108 -6.264 -27.923 -16.761 757 HB2 ALA 108 2HB ALA 108 -6.215 -26.211 -16.338 758 HB3 ALA 108 3HB ALA 108 -4.716 -27.133 -16.454 759 H LYS 109 H LYS 109 -3.404 -27.277 -14.157 760 HA LYS 109 HA LYS 109 -2.585 -29.977 -14.478 761 HB2 LYS 109 2HB LYS 109 -1.200 -27.670 -13.097 762 HB3 LYS 109 3HB LYS 109 -0.443 -29.205 -13.502 763 HG2 LYS 109 2HG LYS 109 -1.423 -28.465 -15.915 764 HG3 LYS 109 3HG LYS 109 -1.057 -26.894 -15.199 765 HD2 LYS 109 2HD LYS 109 0.954 -29.105 -15.066 766 HD3 LYS 109 3HD LYS 109 0.775 -28.163 -16.548 767 HE2 LYS 109 2HE LYS 109 1.258 -26.967 -13.823 768 HE3 LYS 109 3HE LYS 109 2.532 -27.316 -14.990 769 HZ1 LYS 109 1HZ LYS 109 1.083 -25.005 -14.815 770 HZ2 LYS 109 2HZ LYS 109 0.410 -25.799 -16.148 771 HZ3 LYS 109 3HZ LYS 109 2.069 -25.470 -16.109 772 H LYS 110 H LYS 110 -3.058 -27.943 -11.596 773 HA LYS 110 HA LYS 110 -2.657 -30.189 -9.824 774 HB2 LYS 110 2HB LYS 110 -2.896 -27.283 -9.575 775 HB3 LYS 110 3HB LYS 110 -3.722 -28.156 -8.290 776 HG2 LYS 110 2HG LYS 110 -1.775 -28.354 -7.259 777 HG3 LYS 110 3HG LYS 110 -1.237 -29.407 -8.570 778 HD2 LYS 110 2HD LYS 110 -1.108 -26.476 -9.021 779 HD3 LYS 110 3HD LYS 110 0.063 -27.182 -7.904 780 HE2 LYS 110 2HE LYS 110 -0.395 -28.406 -10.596 781 HE3 LYS 110 3HE LYS 110 0.650 -26.997 -10.426 782 HZ1 LYS 110 1HZ LYS 110 2.273 -28.285 -9.687 783 HZ2 LYS 110 2HZ LYS 110 1.319 -29.647 -9.996 784 HZ3 LYS 110 3HZ LYS 110 1.295 -28.927 -8.465 Start of MODEL 19 1 H1 THR 12 H THR 12 0.201 1.005 0.802 2 HA THR 12 HA THR 12 1.250 1.379 -1.292 3 HB THR 12 HB THR 12 1.597 -1.556 -1.382 4 HG1 THR 12 HG1 THR 12 2.232 -0.007 0.926 5 HG21 THR 12 1HG2 THR 12 3.024 0.691 -2.164 6 HG22 THR 12 2HG2 THR 12 3.619 -0.969 -2.134 7 HG23 THR 12 3HG2 THR 12 3.901 0.094 -0.756 8 H ASP 13 H ASP 13 1.054 1.367 -3.476 9 HA ASP 13 HA ASP 13 -0.862 -0.500 -4.688 10 HB2 ASP 13 2HB ASP 13 -1.720 1.394 -6.093 11 HB3 ASP 13 3HB ASP 13 -2.127 1.519 -4.383 12 H HIS 14 H HIS 14 -0.233 -1.335 -6.595 13 HA HIS 14 HA HIS 14 2.080 -0.110 -7.943 14 HB2 HIS 14 2HB HIS 14 2.969 -2.333 -8.418 15 HB3 HIS 14 3HB HIS 14 2.795 -2.104 -6.681 16 HD1 HIS 14 HD1 HIS 14 0.691 -3.329 -5.568 17 HD2 HIS 14 HD2 HIS 14 1.637 -4.492 -9.443 18 HE1 HIS 14 HE1 HIS 14 -0.505 -5.512 -5.926 19 H GLN 15 H GLN 15 1.944 0.080 -10.111 20 HA GLN 15 HA GLN 15 -0.359 -1.187 -11.442 21 HB2 GLN 15 2HB GLN 15 -0.520 0.808 -12.878 22 HB3 GLN 15 3HB GLN 15 -0.773 1.194 -11.181 23 HG2 GLN 15 2HG GLN 15 1.938 1.550 -11.521 24 HG3 GLN 15 3HG GLN 15 1.248 2.148 -13.029 25 HE21 GLN 15 1HE2 GLN 15 2.551 3.568 -10.811 26 HE22 GLN 15 2HE2 GLN 15 1.415 4.761 -10.288 27 H THR 16 H THR 16 0.071 -2.345 -13.212 28 HA THR 16 HA THR 16 2.469 -1.827 -14.776 29 HB THR 16 HB THR 16 2.074 -4.680 -14.015 30 HG1 THR 16 HG1 THR 16 3.517 -4.273 -12.195 31 HG21 THR 16 1HG2 THR 16 3.787 -4.506 -15.533 32 HG22 THR 16 2HG2 THR 16 4.694 -4.341 -14.030 33 HG23 THR 16 3HG2 THR 16 4.271 -2.908 -14.967 34 H VAL 17 H VAL 17 2.044 -2.047 -16.875 35 HA VAL 17 HA VAL 17 -0.323 -3.621 -17.656 36 HB VAL 17 HB VAL 17 0.865 -1.302 -19.181 37 HG11 VAL 17 1HG1 VAL 17 -0.346 -2.333 -20.787 38 HG12 VAL 17 2HG1 VAL 17 -1.365 -3.185 -19.625 39 HG13 VAL 17 3HG1 VAL 17 -1.683 -1.491 -20.004 40 HG21 VAL 17 1HG2 VAL 17 0.054 -0.266 -17.265 41 HG22 VAL 17 2HG2 VAL 17 -1.314 -0.175 -18.373 42 HG23 VAL 17 3HG2 VAL 17 -1.290 -1.397 -17.102 43 H TYR 18 H TYR 18 -0.219 -4.905 -19.510 44 HA TYR 18 HA TYR 18 2.517 -5.518 -20.411 45 HB2 TYR 18 2HB TYR 18 0.146 -7.380 -20.534 46 HB3 TYR 18 3HB TYR 18 1.845 -7.784 -20.753 47 HD1 TYR 18 HD1 TYR 18 3.323 -8.031 -18.844 48 HD2 TYR 18 HD2 TYR 18 -0.776 -7.023 -18.310 49 HE1 TYR 18 HE1 TYR 18 3.506 -8.577 -16.453 50 HE2 TYR 18 HE2 TYR 18 -0.604 -7.565 -15.917 51 HH TYR 18 HH TYR 18 0.848 -9.003 -14.456 52 H VAL 19 H VAL 19 3.004 -5.246 -22.491 53 HA VAL 19 HA VAL 19 0.798 -4.985 -24.427 54 HB VAL 19 HB VAL 19 3.352 -3.376 -24.492 55 HG11 VAL 19 1HG1 VAL 19 1.069 -3.732 -26.316 56 HG12 VAL 19 2HG1 VAL 19 1.580 -2.063 -26.052 57 HG13 VAL 19 3HG1 VAL 19 2.732 -3.255 -26.655 58 HG21 VAL 19 1HG2 VAL 19 1.995 -1.462 -23.824 59 HG22 VAL 19 2HG2 VAL 19 0.583 -2.506 -23.665 60 HG23 VAL 19 3HG2 VAL 19 1.962 -2.719 -22.587 61 H LYS 20 H LYS 20 1.171 -5.758 -26.508 62 HA LYS 20 HA LYS 20 2.669 -8.054 -26.799 63 HB2 LYS 20 2HB LYS 20 2.461 -7.572 -29.308 64 HB3 LYS 20 3HB LYS 20 0.972 -7.707 -28.383 65 HG2 LYS 20 2HG LYS 20 0.469 -5.495 -28.600 66 HG3 LYS 20 3HG LYS 20 2.161 -5.008 -28.723 67 HD2 LYS 20 2HD LYS 20 1.027 -6.685 -30.901 68 HD3 LYS 20 3HD LYS 20 0.542 -4.989 -30.821 69 HE2 LYS 20 2HE LYS 20 3.041 -4.473 -30.652 70 HE3 LYS 20 3HE LYS 20 3.296 -6.139 -31.168 71 HZ1 LYS 20 1HZ LYS 20 1.490 -5.193 -32.957 72 HZ2 LYS 20 2HZ LYS 20 3.155 -5.327 -33.221 73 HZ3 LYS 20 3HZ LYS 20 2.496 -3.856 -32.707 74 HA PRO 21 HA PRO 21 6.850 -6.906 -27.483 75 HB2 PRO 21 2HB PRO 21 7.631 -8.739 -29.327 76 HB3 PRO 21 3HB PRO 21 7.327 -9.149 -27.634 77 HG2 PRO 21 2HG PRO 21 5.549 -9.500 -30.017 78 HG3 PRO 21 3HG PRO 21 5.859 -10.620 -28.677 79 HD2 PRO 21 2HD PRO 21 3.636 -9.079 -28.804 80 HD3 PRO 21 3HD PRO 21 4.396 -9.534 -27.265 81 H VAL 22 H VAL 22 8.412 -6.181 -29.116 82 HA VAL 22 HA VAL 22 7.049 -4.915 -31.398 83 HB VAL 22 HB VAL 22 9.077 -3.377 -31.391 84 HG11 VAL 22 1HG1 VAL 22 7.781 -2.892 -28.809 85 HG12 VAL 22 2HG1 VAL 22 7.834 -1.890 -30.260 86 HG13 VAL 22 3HG1 VAL 22 6.664 -3.205 -30.137 87 HG21 VAL 22 1HG2 VAL 22 10.573 -3.354 -29.655 88 HG22 VAL 22 2HG2 VAL 22 9.449 -4.117 -28.530 89 HG23 VAL 22 3HG2 VAL 22 10.251 -5.084 -29.767 90 HA PRO 23 HA PRO 23 9.465 -7.149 -34.304 91 HB2 PRO 23 2HB PRO 23 9.800 -5.295 -36.259 92 HB3 PRO 23 3HB PRO 23 8.254 -6.093 -35.946 93 HG2 PRO 23 2HG PRO 23 9.196 -3.386 -35.083 94 HG3 PRO 23 3HG PRO 23 7.614 -3.868 -35.723 95 HD2 PRO 23 2HD PRO 23 8.065 -3.497 -33.079 96 HD3 PRO 23 3HD PRO 23 6.904 -4.692 -33.690 97 HA PRO 24 HA PRO 24 13.770 -6.339 -33.927 98 HB2 PRO 24 2HB PRO 24 14.739 -7.100 -36.346 99 HB3 PRO 24 3HB PRO 24 14.149 -8.252 -35.142 100 HG2 PRO 24 2HG PRO 24 12.757 -7.152 -37.554 101 HG3 PRO 24 3HG PRO 24 12.792 -8.817 -36.944 102 HD2 PRO 24 2HD PRO 24 10.699 -7.152 -36.517 103 HD3 PRO 24 3HD PRO 24 11.181 -8.399 -35.349 104 H THR 25 H THR 25 12.010 -4.796 -36.484 105 HA THR 25 HA THR 25 14.176 -3.051 -37.263 106 HB THR 25 HB THR 25 11.252 -2.759 -37.962 107 HG1 THR 25 HG1 THR 25 11.560 -4.198 -39.550 108 HG21 THR 25 1HG2 THR 25 11.876 -1.199 -39.482 109 HG22 THR 25 2HG2 THR 25 13.408 -2.000 -39.833 110 HG23 THR 25 3HG2 THR 25 13.247 -0.998 -38.392 111 H ALA 26 H ALA 26 11.293 -2.879 -35.250 112 HA ALA 26 HA ALA 26 11.265 -0.105 -34.815 113 HB1 ALA 26 1HB ALA 26 10.091 -0.834 -32.619 114 HB2 ALA 26 2HB ALA 26 9.317 -1.170 -34.168 115 HB3 ALA 26 3HB ALA 26 10.178 -2.452 -33.316 116 H THR 27 H THR 27 12.980 0.996 -34.110 117 HA THR 27 HA THR 27 14.845 -0.172 -32.225 118 HB THR 27 HB THR 27 15.956 2.131 -32.432 119 HG1 THR 27 HG1 THR 27 15.162 3.509 -33.901 120 HG21 THR 27 1HG2 THR 27 16.760 1.603 -34.779 121 HG22 THR 27 2HG2 THR 27 15.608 0.268 -34.773 122 HG23 THR 27 3HG2 THR 27 16.921 0.306 -33.596 123 H LEU 28 H LEU 28 15.645 1.424 -30.447 124 HA LEU 28 HA LEU 28 13.487 1.782 -28.632 125 HB2 LEU 28 2HB LEU 28 15.986 1.270 -28.182 126 HB3 LEU 28 3HB LEU 28 16.188 3.019 -28.263 127 HG LEU 28 HG LEU 28 14.040 2.327 -26.469 128 HD11 LEU 28 1HD1 LEU 28 15.283 1.176 -24.768 129 HD12 LEU 28 2HD1 LEU 28 16.738 1.185 -25.763 130 HD13 LEU 28 3HD1 LEU 28 15.340 0.227 -26.253 131 HD21 LEU 28 1HD2 LEU 28 16.601 3.864 -26.397 132 HD22 LEU 28 2HD2 LEU 28 15.725 3.539 -24.901 133 HD23 LEU 28 3HD2 LEU 28 14.944 4.434 -26.205 134 H GLU 29 H GLU 29 15.484 4.006 -30.527 135 HA GLU 29 HA GLU 29 14.446 6.398 -29.466 136 HB2 GLU 29 2HB GLU 29 16.510 5.966 -31.009 137 HB3 GLU 29 3HB GLU 29 15.354 6.186 -32.315 138 HG2 GLU 29 2HG GLU 29 15.038 8.407 -31.853 139 HG3 GLU 29 3HG GLU 29 15.495 8.231 -30.159 140 H GLN 30 H GLN 30 13.456 4.410 -32.219 141 HA GLN 30 HA GLN 30 11.447 6.163 -33.162 142 HB2 GLN 30 2HB GLN 30 12.486 4.280 -34.460 143 HB3 GLN 30 3HB GLN 30 11.539 3.162 -33.487 144 HG2 GLN 30 2HG GLN 30 9.774 3.435 -34.786 145 HG3 GLN 30 3HG GLN 30 9.833 5.185 -34.580 146 HE21 GLN 30 1HE2 GLN 30 11.088 6.421 -36.045 147 HE22 GLN 30 2HE2 GLN 30 11.451 5.821 -37.623 148 H LEU 31 H LEU 31 11.283 3.258 -31.114 149 HA LEU 31 HA LEU 31 8.535 3.207 -30.708 150 HB2 LEU 31 2HB LEU 31 10.884 2.030 -29.495 151 HB3 LEU 31 3HB LEU 31 9.647 2.388 -28.292 152 HG LEU 31 HG LEU 31 9.192 0.723 -30.766 153 HD11 LEU 31 1HD1 LEU 31 10.478 0.064 -28.292 154 HD12 LEU 31 2HD1 LEU 31 10.187 -0.949 -29.705 155 HD13 LEU 31 3HD1 LEU 31 8.965 -0.829 -28.441 156 HD21 LEU 31 1HD2 LEU 31 7.208 1.880 -29.837 157 HD22 LEU 31 2HD2 LEU 31 7.499 1.074 -28.295 158 HD23 LEU 31 3HD2 LEU 31 7.105 0.123 -29.728 159 H THR 32 H THR 32 11.037 4.785 -28.729 160 HA THR 32 HA THR 32 9.317 5.892 -26.815 161 HB THR 32 HB THR 32 11.900 7.150 -27.747 162 HG1 THR 32 HG1 THR 32 12.726 5.285 -27.155 163 HG21 THR 32 1HG2 THR 32 10.352 8.344 -26.103 164 HG22 THR 32 2HG2 THR 32 12.026 8.108 -25.597 165 HG23 THR 32 3HG2 THR 32 10.757 7.059 -24.965 166 H GLU 33 H GLU 33 10.562 7.245 -29.853 167 HA GLU 33 HA GLU 33 9.531 9.807 -29.667 168 HB2 GLU 33 2HB GLU 33 11.054 8.914 -31.462 169 HB3 GLU 33 3HB GLU 33 9.643 8.174 -32.205 170 HG2 GLU 33 2HG GLU 33 9.020 10.081 -33.152 171 HG3 GLU 33 3HG GLU 33 9.227 10.986 -31.653 172 H PHE 34 H PHE 34 7.992 6.989 -31.220 173 HA PHE 34 HA PHE 34 5.565 8.230 -31.831 174 HB2 PHE 34 2HB PHE 34 6.523 5.438 -31.592 175 HB3 PHE 34 3HB PHE 34 4.781 5.669 -31.484 176 HD1 PHE 34 HD1 PHE 34 7.735 6.324 -33.617 177 HD2 PHE 34 HD2 PHE 34 3.494 6.035 -33.402 178 HE1 PHE 34 HE1 PHE 34 7.606 6.450 -36.071 179 HE2 PHE 34 HE2 PHE 34 3.358 6.160 -35.856 180 HZ PHE 34 HZ PHE 34 5.415 6.367 -37.193 181 H PHE 35 H PHE 35 6.593 6.487 -28.932 182 HA PHE 35 HA PHE 35 4.175 6.344 -27.585 183 HB2 PHE 35 2HB PHE 35 7.030 6.366 -26.789 184 HB3 PHE 35 3HB PHE 35 5.864 6.722 -25.519 185 HD1 PHE 35 HD1 PHE 35 5.689 4.864 -24.176 186 HD2 PHE 35 HD2 PHE 35 5.739 4.365 -28.402 187 HE1 PHE 35 HE1 PHE 35 5.263 2.457 -23.893 188 HE2 PHE 35 HE2 PHE 35 5.312 1.958 -28.127 189 HZ PHE 35 HZ PHE 35 5.073 1.001 -25.870 190 H SER 36 H SER 36 6.645 8.901 -27.308 191 HA SER 36 HA SER 36 5.198 10.577 -25.604 192 HB2 SER 36 2HB SER 36 7.682 10.696 -26.337 193 HB3 SER 36 3HB SER 36 7.081 11.653 -27.690 194 HG SER 36 HG SER 36 7.747 12.775 -25.650 195 H LYS 37 H LYS 37 5.187 10.278 -29.106 196 HA LYS 37 HA LYS 37 3.779 12.593 -29.766 197 HB2 LYS 37 2HB LYS 37 4.866 10.633 -31.217 198 HB3 LYS 37 3HB LYS 37 3.191 10.098 -31.279 199 HG2 LYS 37 2HG LYS 37 2.786 12.624 -31.944 200 HG3 LYS 37 3HG LYS 37 4.466 12.497 -32.468 201 HD2 LYS 37 2HD LYS 37 2.470 10.412 -33.263 202 HD3 LYS 37 3HD LYS 37 2.563 11.940 -34.143 203 HE2 LYS 37 2HE LYS 37 5.205 11.089 -33.885 204 HE3 LYS 37 3HE LYS 37 4.293 9.628 -34.265 205 HZ1 LYS 37 1HZ LYS 37 4.514 12.114 -35.850 206 HZ2 LYS 37 2HZ LYS 37 3.266 11.003 -36.115 207 HZ3 LYS 37 3HZ LYS 37 4.877 10.530 -36.320 208 H HIS 38 H HIS 38 2.643 9.461 -28.636 209 HA HIS 38 HA HIS 38 0.047 10.652 -28.052 210 HB2 HIS 38 2HB HIS 38 0.071 9.447 -30.355 211 HB3 HIS 38 3HB HIS 38 0.101 7.968 -29.400 212 HD1 HIS 38 HD1 HIS 38 -2.127 10.713 -30.503 213 HD2 HIS 38 HD2 HIS 38 -2.263 7.480 -27.896 214 HE1 HIS 38 HE1 HIS 38 -4.558 10.411 -29.931 215 H GLY 39 H GLY 39 -0.160 10.328 -25.937 216 HA2 GLY 39 2HA GLY 39 -0.688 8.894 -24.119 217 HA3 GLY 39 3HA GLY 39 0.225 7.612 -24.900 218 H THR 40 H THR 40 0.273 9.077 -22.179 219 HA THR 40 HA THR 40 3.149 9.715 -22.171 220 HB THR 40 HB THR 40 1.773 10.448 -19.729 221 HG1 THR 40 HG1 THR 40 0.418 12.021 -20.622 222 HG21 THR 40 1HG2 THR 40 3.926 11.351 -20.317 223 HG22 THR 40 2HG2 THR 40 2.753 12.668 -20.301 224 HG23 THR 40 3HG2 THR 40 3.293 11.986 -21.835 225 H VAL 41 H VAL 41 4.420 8.199 -21.350 226 HA VAL 41 HA VAL 41 3.324 6.408 -19.279 227 HB VAL 41 HB VAL 41 4.967 4.722 -20.038 228 HG11 VAL 41 1HG1 VAL 41 3.267 3.930 -21.223 229 HG12 VAL 41 2HG1 VAL 41 2.590 5.554 -21.353 230 HG13 VAL 41 3HG1 VAL 41 3.721 4.969 -22.574 231 HG21 VAL 41 1HG2 VAL 41 6.187 4.995 -22.088 232 HG22 VAL 41 2HG2 VAL 41 5.442 6.568 -22.376 233 HG23 VAL 41 3HG2 VAL 41 6.563 6.355 -21.031 234 H GLN 42 H GLN 42 4.580 5.932 -17.493 235 HA GLN 42 HA GLN 42 6.484 7.929 -16.740 236 HB2 GLN 42 2HB GLN 42 4.808 6.662 -15.239 237 HB3 GLN 42 3HB GLN 42 6.002 5.370 -15.236 238 HG2 GLN 42 2HG GLN 42 7.112 7.995 -14.611 239 HG3 GLN 42 3HG GLN 42 5.893 7.443 -13.465 240 HE21 GLN 42 1HE2 GLN 42 9.110 7.241 -14.421 241 HE22 GLN 42 2HE2 GLN 42 9.594 5.927 -13.410 242 H ALA 43 H ALA 43 6.718 4.390 -17.126 243 HA ALA 43 HA ALA 43 9.376 4.656 -18.234 244 HB1 ALA 43 1HB ALA 43 10.079 4.668 -15.996 245 HB2 ALA 43 2HB ALA 43 8.908 3.433 -15.531 246 HB3 ALA 43 3HB ALA 43 10.297 3.001 -16.528 247 H VAL 44 H VAL 44 10.263 2.521 -18.904 248 HA VAL 44 HA VAL 44 8.297 0.383 -19.154 249 HB VAL 44 HB VAL 44 7.857 1.712 -21.135 250 HG11 VAL 44 1HG1 VAL 44 10.190 1.424 -22.676 251 HG12 VAL 44 2HG1 VAL 44 9.480 2.916 -22.056 252 HG13 VAL 44 3HG1 VAL 44 10.701 2.060 -21.113 253 HG21 VAL 44 1HG2 VAL 44 7.706 -0.698 -21.365 254 HG22 VAL 44 2HG2 VAL 44 8.305 0.016 -22.862 255 HG23 VAL 44 3HG2 VAL 44 9.422 -0.790 -21.761 256 H TRP 45 H TRP 45 9.188 -1.639 -19.443 257 HA TRP 45 HA TRP 45 11.972 -1.981 -20.082 258 HB2 TRP 45 2HB TRP 45 11.441 -1.477 -17.431 259 HB3 TRP 45 3HB TRP 45 11.437 -3.237 -17.486 260 HD1 TRP 45 HD1 TRP 45 13.772 -0.447 -18.876 261 HE1 TRP 45 HE1 TRP 45 16.203 -1.190 -18.474 262 HE3 TRP 45 HE3 TRP 45 12.882 -4.975 -16.676 263 HZ2 TRP 45 HZ2 TRP 45 17.564 -3.403 -17.370 264 HZ3 TRP 45 HZ3 TRP 45 14.803 -6.344 -15.976 265 HH2 TRP 45 HH2 TRP 45 17.095 -5.573 -16.318 266 H ARG 46 H ARG 46 12.594 -4.365 -19.836 267 HA ARG 46 HA ARG 46 10.451 -6.274 -19.803 268 HB2 ARG 46 2HB ARG 46 10.790 -7.057 -22.129 269 HB3 ARG 46 3HB ARG 46 10.115 -5.435 -22.046 270 HG2 ARG 46 2HG ARG 46 13.055 -5.630 -22.227 271 HG3 ARG 46 3HG ARG 46 12.135 -6.102 -23.657 272 HD2 ARG 46 2HD ARG 46 11.271 -3.603 -22.367 273 HD3 ARG 46 3HD ARG 46 12.881 -3.562 -23.085 274 HE ARG 46 HE ARG 46 10.892 -4.665 -24.831 275 HH11 ARG 46 1HH1 ARG 46 12.349 -1.723 -23.675 276 HH12 ARG 46 2HH1 ARG 46 11.937 -0.809 -25.088 277 HH21 ARG 46 1HH2 ARG 46 10.343 -3.473 -26.697 278 HH22 ARG 46 2HH2 ARG 46 10.795 -1.806 -26.806 279 H ARG 47 H ARG 47 11.177 -8.353 -19.514 280 HA ARG 47 HA ARG 47 14.000 -8.954 -19.880 281 HB2 ARG 47 2HB ARG 47 14.274 -9.754 -17.572 282 HB3 ARG 47 3HB ARG 47 13.934 -8.029 -17.625 283 HG2 ARG 47 2HG ARG 47 11.454 -9.361 -17.407 284 HG3 ARG 47 3HG ARG 47 12.551 -10.085 -16.229 285 HD2 ARG 47 2HD ARG 47 13.138 -7.565 -15.736 286 HD3 ARG 47 3HD ARG 47 11.540 -7.290 -16.427 287 HE ARG 47 HE ARG 47 10.610 -8.165 -14.529 288 HH11 ARG 47 1HH1 ARG 47 13.978 -9.038 -14.652 289 HH12 ARG 47 2HH1 ARG 47 13.996 -9.712 -13.056 290 HH21 ARG 47 1HH2 ARG 47 10.621 -9.049 -12.427 291 HH22 ARG 47 2HH2 ARG 47 12.086 -9.719 -11.792 292 H TYR 48 H TYR 48 14.467 -11.274 -19.475 293 HA TYR 48 HA TYR 48 12.159 -13.046 -19.507 294 HB2 TYR 48 2HB TYR 48 13.065 -14.219 -21.555 295 HB3 TYR 48 3HB TYR 48 12.350 -12.638 -21.848 296 HD1 TYR 48 HD1 TYR 48 15.393 -14.621 -21.946 297 HD2 TYR 48 HD2 TYR 48 13.796 -10.698 -22.347 298 HE1 TYR 48 HE1 TYR 48 17.466 -13.897 -23.056 299 HE2 TYR 48 HE2 TYR 48 15.864 -9.963 -23.459 300 HH TYR 48 HH TYR 48 18.507 -12.240 -24.112 301 H PHE 49 H PHE 49 12.570 -14.714 -18.230 302 HA PHE 49 HA PHE 49 15.293 -15.244 -17.382 303 HB2 PHE 49 2HB PHE 49 12.576 -16.087 -16.449 304 HB3 PHE 49 3HB PHE 49 13.982 -17.029 -15.964 305 HD1 PHE 49 HD1 PHE 49 12.321 -13.766 -15.724 306 HD2 PHE 49 HD2 PHE 49 15.564 -16.177 -14.388 307 HE1 PHE 49 HE1 PHE 49 12.760 -12.163 -13.910 308 HE2 PHE 49 HE2 PHE 49 16.008 -14.579 -12.572 309 HZ PHE 49 HZ PHE 49 14.605 -12.569 -12.330 310 H ALA 50 H ALA 50 16.547 -16.760 -18.231 311 HA ALA 50 HA ALA 50 15.502 -18.569 -20.223 312 HB1 ALA 50 1HB ALA 50 17.916 -17.323 -19.872 313 HB2 ALA 50 2HB ALA 50 18.272 -18.987 -19.405 314 HB3 ALA 50 3HB ALA 50 17.597 -18.643 -20.998 315 H GLY 51 H GLY 51 16.597 -18.733 -16.901 316 HA2 GLY 51 2HA GLY 51 15.992 -20.405 -15.369 317 HA3 GLY 51 3HA GLY 51 15.526 -21.437 -16.713 318 H LYS 52 H LYS 52 17.806 -20.915 -14.340 319 HA LYS 52 HA LYS 52 19.604 -22.865 -15.583 320 HB2 LYS 52 2HB LYS 52 20.357 -20.326 -15.688 321 HB3 LYS 52 3HB LYS 52 20.837 -20.637 -14.025 322 HG2 LYS 52 2HG LYS 52 22.775 -21.184 -15.059 323 HG3 LYS 52 3HG LYS 52 21.973 -22.754 -15.148 324 HD2 LYS 52 2HD LYS 52 21.161 -22.159 -17.413 325 HD3 LYS 52 3HD LYS 52 22.084 -20.658 -17.316 326 HE2 LYS 52 2HE LYS 52 23.332 -22.315 -18.561 327 HE3 LYS 52 3HE LYS 52 24.147 -21.970 -17.037 328 HZ1 LYS 52 1HZ LYS 52 22.284 -24.248 -17.296 329 HZ2 LYS 52 2HZ LYS 52 23.498 -24.002 -16.145 330 HZ3 LYS 52 3HZ LYS 52 23.911 -24.393 -17.738 331 H LYS 53 H LYS 53 17.836 -23.716 -13.829 332 HA LYS 53 HA LYS 53 19.464 -24.408 -11.527 333 HB2 LYS 53 2HB LYS 53 17.664 -23.884 -9.917 334 HB3 LYS 53 3HB LYS 53 18.295 -22.445 -10.709 335 HG2 LYS 53 2HG LYS 53 16.046 -23.549 -12.151 336 HG3 LYS 53 3HG LYS 53 15.637 -23.188 -10.472 337 HD2 LYS 53 2HD LYS 53 16.255 -20.917 -10.710 338 HD3 LYS 53 3HD LYS 53 17.060 -21.222 -12.251 339 HE2 LYS 53 2HE LYS 53 15.174 -20.714 -13.305 340 HE3 LYS 53 3HE LYS 53 14.396 -22.096 -12.536 341 HZ1 LYS 53 1HZ LYS 53 14.545 -19.343 -11.433 342 HZ2 LYS 53 2HZ LYS 53 13.840 -20.666 -10.652 343 HZ3 LYS 53 3HZ LYS 53 13.172 -20.080 -12.091 344 H ASP 54 H ASP 54 18.067 -25.973 -10.074 345 HA ASP 54 HA ASP 54 16.950 -27.959 -11.917 346 HB2 ASP 54 2HB ASP 54 18.867 -28.340 -10.116 347 HB3 ASP 54 3HB ASP 54 17.486 -28.590 -9.052 348 H ALA 55 H ALA 55 15.475 -25.598 -10.925 349 HA ALA 55 HA ALA 55 13.315 -26.987 -9.477 350 HB1 ALA 55 1HB ALA 55 14.663 -24.698 -8.715 351 HB2 ALA 55 2HB ALA 55 13.154 -24.092 -9.398 352 HB3 ALA 55 3HB ALA 55 13.118 -25.263 -8.080 353 HA PRO 56 HA PRO 56 10.524 -26.242 -12.779 354 HB2 PRO 56 2HB PRO 56 8.227 -25.618 -11.473 355 HB3 PRO 56 3HB PRO 56 8.899 -27.253 -11.508 356 HG2 PRO 56 2HG PRO 56 9.093 -25.169 -9.367 357 HG3 PRO 56 3HG PRO 56 8.786 -26.908 -9.211 358 HD2 PRO 56 2HD PRO 56 11.222 -25.813 -8.763 359 HD3 PRO 56 3HD PRO 56 11.017 -27.449 -9.422 360 HA PRO 57 HA PRO 57 10.131 -21.987 -13.814 361 HB2 PRO 57 2HB PRO 57 7.787 -21.915 -15.182 362 HB3 PRO 57 3HB PRO 57 9.258 -22.647 -15.834 363 HG2 PRO 57 2HG PRO 57 6.902 -23.961 -14.535 364 HG3 PRO 57 3HG PRO 57 7.805 -24.457 -15.979 365 HD2 PRO 57 2HD PRO 57 8.200 -25.593 -13.553 366 HD3 PRO 57 3HD PRO 57 9.503 -25.409 -14.745 367 H GLU 58 H GLU 58 9.886 -20.922 -11.852 368 HA GLU 58 HA GLU 58 7.234 -20.726 -10.666 369 HB2 GLU 58 2HB GLU 58 9.728 -20.812 -9.558 370 HB3 GLU 58 3HB GLU 58 9.403 -19.084 -9.542 371 HG2 GLU 58 2HG GLU 58 8.747 -20.178 -7.455 372 HG3 GLU 58 3HG GLU 58 7.378 -19.434 -8.279 373 H SER 59 H SER 59 9.692 -18.599 -12.090 374 HA SER 59 HA SER 59 7.965 -16.291 -11.937 375 HB2 SER 59 2HB SER 59 10.347 -16.182 -13.687 376 HB3 SER 59 3HB SER 59 9.819 -15.067 -12.427 377 HG SER 59 HG SER 59 11.584 -16.014 -11.583 378 H ARG 60 H ARG 60 7.840 -14.931 -14.060 379 HA ARG 60 HA ARG 60 6.821 -16.717 -16.169 380 HB2 ARG 60 2HB ARG 60 5.946 -13.934 -15.382 381 HB3 ARG 60 3HB ARG 60 5.360 -14.786 -16.804 382 HG2 ARG 60 2HG ARG 60 5.029 -15.699 -13.953 383 HG3 ARG 60 3HG ARG 60 3.788 -14.930 -14.945 384 HD2 ARG 60 2HD ARG 60 3.206 -16.928 -15.716 385 HD3 ARG 60 3HD ARG 60 4.805 -17.088 -16.443 386 HE ARG 60 HE ARG 60 5.346 -18.584 -14.807 387 HH11 ARG 60 1HH1 ARG 60 2.584 -16.738 -13.767 388 HH12 ARG 60 2HH1 ARG 60 2.327 -17.683 -12.338 389 HH21 ARG 60 1HH2 ARG 60 5.018 -19.836 -12.929 390 HH22 ARG 60 2HH2 ARG 60 3.712 -19.444 -11.862 391 H THR 61 H THR 61 8.055 -16.785 -17.916 392 HA THR 61 HA THR 61 9.621 -14.394 -18.635 393 HB THR 61 HB THR 61 11.149 -16.150 -18.167 394 HG1 THR 61 HG1 THR 61 12.215 -16.018 -20.023 395 HG21 THR 61 1HG2 THR 61 9.058 -17.825 -19.296 396 HG22 THR 61 2HG2 THR 61 10.358 -18.242 -18.179 397 HG23 THR 61 3HG2 THR 61 10.656 -18.237 -19.917 398 H LYS 62 H LYS 62 8.521 -13.314 -20.153 399 HA LYS 62 HA LYS 62 7.770 -14.764 -22.584 400 HB2 LYS 62 2HB LYS 62 5.695 -13.229 -22.654 401 HB3 LYS 62 3HB LYS 62 5.653 -14.643 -21.609 402 HG2 LYS 62 2HG LYS 62 6.645 -12.181 -20.347 403 HG3 LYS 62 3HG LYS 62 4.950 -12.156 -20.838 404 HD2 LYS 62 2HD LYS 62 5.702 -14.641 -19.523 405 HD3 LYS 62 3HD LYS 62 5.958 -13.226 -18.500 406 HE2 LYS 62 2HE LYS 62 3.779 -13.560 -17.999 407 HE3 LYS 62 3HE LYS 62 3.532 -12.636 -19.480 408 HZ1 LYS 62 1HZ LYS 62 2.754 -15.274 -18.917 409 HZ2 LYS 62 2HZ LYS 62 3.863 -15.311 -20.193 410 HZ3 LYS 62 3HZ LYS 62 2.464 -14.367 -20.316 411 HA PRO 63 HA PRO 63 9.587 -11.393 -24.727 412 HB2 PRO 63 2HB PRO 63 8.036 -11.243 -26.950 413 HB3 PRO 63 3HB PRO 63 9.190 -12.552 -26.671 414 HG2 PRO 63 2HG PRO 63 6.228 -12.515 -26.242 415 HG3 PRO 63 3HG PRO 63 7.239 -13.785 -26.955 416 HD2 PRO 63 2HD PRO 63 6.355 -13.891 -24.398 417 HD3 PRO 63 3HD PRO 63 7.914 -14.577 -24.898 418 H SER 64 H SER 64 6.258 -11.245 -23.810 419 HA SER 64 HA SER 64 5.453 -8.773 -24.741 420 HB2 SER 64 2HB SER 64 4.827 -10.119 -22.105 421 HB3 SER 64 3HB SER 64 3.981 -8.694 -22.708 422 HG SER 64 HG SER 64 3.053 -9.871 -24.254 423 H VAL 65 H VAL 65 5.482 -6.671 -23.878 424 HA VAL 65 HA VAL 65 7.812 -6.136 -22.169 425 HB VAL 65 HB VAL 65 7.582 -3.779 -23.018 426 HG11 VAL 65 1HG1 VAL 65 9.121 -5.570 -23.951 427 HG12 VAL 65 2HG1 VAL 65 7.951 -5.746 -25.260 428 HG13 VAL 65 3HG1 VAL 65 8.768 -4.203 -25.008 429 HG21 VAL 65 1HG2 VAL 65 5.113 -4.522 -23.826 430 HG22 VAL 65 2HG2 VAL 65 5.994 -3.145 -24.488 431 HG23 VAL 65 3HG2 VAL 65 6.012 -4.692 -25.334 432 H PHE 66 H PHE 66 7.673 -4.662 -20.444 433 HA PHE 66 HA PHE 66 4.953 -4.362 -19.367 434 HB2 PHE 66 2HB PHE 66 7.537 -4.179 -17.816 435 HB3 PHE 66 3HB PHE 66 5.907 -4.357 -17.174 436 HD1 PHE 66 HD1 PHE 66 8.868 -6.040 -17.897 437 HD2 PHE 66 HD2 PHE 66 4.641 -6.518 -18.059 438 HE1 PHE 66 HE1 PHE 66 9.147 -8.485 -17.885 439 HE2 PHE 66 HE2 PHE 66 4.914 -8.963 -18.047 440 HZ PHE 66 HZ PHE 66 7.169 -9.950 -17.959 441 H VAL 67 H VAL 67 4.113 -2.397 -19.069 442 HA VAL 67 HA VAL 67 5.918 -0.071 -19.109 443 HB VAL 67 HB VAL 67 4.246 1.184 -20.413 444 HG11 VAL 67 1HG1 VAL 67 5.503 -1.281 -21.551 445 HG12 VAL 67 2HG1 VAL 67 4.538 -0.217 -22.576 446 HG13 VAL 67 3HG1 VAL 67 5.968 0.408 -21.754 447 HG21 VAL 67 1HG2 VAL 67 2.649 -0.560 -21.688 448 HG22 VAL 67 2HG2 VAL 67 2.750 -1.345 -20.112 449 HG23 VAL 67 3HG2 VAL 67 2.165 0.314 -20.235 450 H VAL 68 H VAL 68 5.446 1.547 -17.699 451 HA VAL 68 HA VAL 68 3.037 1.206 -16.033 452 HB VAL 68 HB VAL 68 5.699 2.301 -15.118 453 HG11 VAL 68 1HG1 VAL 68 3.105 1.747 -13.694 454 HG12 VAL 68 2HG1 VAL 68 4.637 1.998 -12.854 455 HG13 VAL 68 3HG1 VAL 68 3.953 3.285 -13.847 456 HG21 VAL 68 1HG2 VAL 68 6.277 0.121 -15.146 457 HG22 VAL 68 2HG2 VAL 68 5.330 0.060 -13.660 458 HG23 VAL 68 3HG2 VAL 68 4.603 -0.433 -15.189 459 H PHE 69 H PHE 69 1.648 2.821 -16.236 460 HA PHE 69 HA PHE 69 2.463 5.325 -17.433 461 HB2 PHE 69 2HB PHE 69 -0.125 4.008 -16.779 462 HB3 PHE 69 3HB PHE 69 -0.113 5.765 -16.887 463 HD1 PHE 69 HD1 PHE 69 1.198 2.840 -18.801 464 HD2 PHE 69 HD2 PHE 69 -0.644 6.675 -18.918 465 HE1 PHE 69 HE1 PHE 69 1.038 2.684 -21.251 466 HE2 PHE 69 HE2 PHE 69 -0.808 6.525 -21.368 467 HZ PHE 69 HZ PHE 69 0.033 4.528 -22.538 468 H ASN 70 H ASN 70 2.319 7.359 -16.482 469 HA ASN 70 HA ASN 70 2.692 7.364 -13.606 470 HB2 ASN 70 2HB ASN 70 4.266 8.712 -14.720 471 HB3 ASN 70 3HB ASN 70 3.046 9.422 -15.772 472 HD21 ASN 70 1HD2 ASN 70 2.503 11.414 -15.299 473 HD22 ASN 70 2HD2 ASN 70 2.587 12.155 -13.741 474 H SER 71 H SER 71 0.459 8.742 -15.981 475 HA SER 71 HA SER 71 -1.140 10.032 -13.961 476 HB2 SER 71 2HB SER 71 -2.707 10.082 -16.181 477 HB3 SER 71 3HB SER 71 -1.438 11.260 -15.848 478 HG SER 71 HG SER 71 -0.189 10.365 -17.334 479 H SER 72 H SER 72 -2.852 9.229 -12.922 480 HA SER 72 HA SER 72 -3.460 6.488 -12.984 481 HB2 SER 72 2HB SER 72 -5.359 7.077 -11.513 482 HB3 SER 72 3HB SER 72 -3.865 7.863 -11.002 483 HG SER 72 HG SER 72 -6.123 8.977 -12.262 484 H GLU 73 H GLU 73 -5.252 9.283 -14.260 485 HA GLU 73 HA GLU 73 -7.449 7.918 -15.282 486 HB2 GLU 73 2HB GLU 73 -6.664 10.525 -15.218 487 HB3 GLU 73 3HB GLU 73 -6.476 10.161 -16.928 488 HG2 GLU 73 2HG GLU 73 -8.748 9.650 -17.185 489 HG3 GLU 73 3HG GLU 73 -9.002 9.524 -15.445 490 H GLU 74 H GLU 74 -4.527 8.944 -17.058 491 HA GLU 74 HA GLU 74 -5.157 7.619 -19.449 492 HB2 GLU 74 2HB GLU 74 -3.376 9.415 -19.023 493 HB3 GLU 74 3HB GLU 74 -2.345 8.098 -18.484 494 HG2 GLU 74 2HG GLU 74 -1.727 8.315 -20.682 495 HG3 GLU 74 3HG GLU 74 -2.937 7.037 -20.774 496 H ALA 75 H ALA 75 -3.636 6.514 -16.507 497 HA ALA 75 HA ALA 75 -2.482 4.138 -17.478 498 HB1 ALA 75 1HB ALA 75 -2.858 3.416 -14.997 499 HB2 ALA 75 2HB ALA 75 -1.718 4.706 -15.383 500 HB3 ALA 75 3HB ALA 75 -3.329 5.103 -14.784 501 H GLU 76 H GLU 76 -5.631 4.703 -15.907 502 HA GLU 76 HA GLU 76 -6.519 2.025 -16.173 503 HB2 GLU 76 2HB GLU 76 -7.655 4.591 -15.303 504 HB3 GLU 76 3HB GLU 76 -8.826 3.494 -16.022 505 HG2 GLU 76 2HG GLU 76 -6.990 2.365 -13.998 506 HG3 GLU 76 3HG GLU 76 -8.234 3.478 -13.432 507 H ALA 77 H ALA 77 -6.931 4.923 -18.147 508 HA ALA 77 HA ALA 77 -8.824 3.948 -19.955 509 HB1 ALA 77 1HB ALA 77 -7.536 5.626 -21.539 510 HB2 ALA 77 2HB ALA 77 -8.532 6.198 -20.200 511 HB3 ALA 77 3HB ALA 77 -6.781 6.104 -20.018 512 H PHE 78 H PHE 78 -5.274 3.851 -20.103 513 HA PHE 78 HA PHE 78 -5.171 2.489 -22.594 514 HB2 PHE 78 2HB PHE 78 -3.252 3.325 -20.519 515 HB3 PHE 78 3HB PHE 78 -2.780 1.895 -21.430 516 HD1 PHE 78 HD1 PHE 78 -1.997 2.061 -23.643 517 HD2 PHE 78 HD2 PHE 78 -3.726 5.451 -21.737 518 HE1 PHE 78 HE1 PHE 78 -1.214 3.492 -25.485 519 HE2 PHE 78 HE2 PHE 78 -2.946 6.887 -23.577 520 HZ PHE 78 HZ PHE 78 -1.689 5.908 -25.454 521 H GLN 79 H GLN 79 -5.095 1.438 -19.227 522 HA GLN 79 HA GLN 79 -4.435 -1.242 -19.617 523 HB2 GLN 79 2HB GLN 79 -5.405 0.392 -17.473 524 HB3 GLN 79 3HB GLN 79 -6.311 -1.115 -17.498 525 HG2 GLN 79 2HG GLN 79 -4.252 -2.386 -17.386 526 HG3 GLN 79 3HG GLN 79 -3.310 -0.897 -17.440 527 HE21 GLN 79 1HE2 GLN 79 -2.835 -2.560 -15.413 528 HE22 GLN 79 2HE2 GLN 79 -3.485 -1.946 -13.934 529 H LYS 80 H LYS 80 -7.603 0.347 -19.622 530 HA LYS 80 HA LYS 80 -9.192 -1.935 -19.893 531 HB2 LYS 80 2HB LYS 80 -10.021 0.365 -19.390 532 HB3 LYS 80 3HB LYS 80 -9.734 0.796 -21.070 533 HG2 LYS 80 2HG LYS 80 -11.282 -1.230 -21.577 534 HG3 LYS 80 3HG LYS 80 -11.806 -1.006 -19.907 535 HD2 LYS 80 2HD LYS 80 -13.145 0.642 -20.560 536 HD3 LYS 80 3HD LYS 80 -11.742 1.548 -21.132 537 HE2 LYS 80 2HE LYS 80 -11.942 0.694 -23.308 538 HE3 LYS 80 3HE LYS 80 -13.012 -0.608 -22.791 539 HZ1 LYS 80 1HZ LYS 80 -14.173 1.199 -23.963 540 HZ2 LYS 80 2HZ LYS 80 -13.726 2.273 -22.736 541 HZ3 LYS 80 3HZ LYS 80 -14.751 0.973 -22.389 542 H ALA 81 H ALA 81 -8.463 0.356 -22.528 543 HA ALA 81 HA ALA 81 -8.306 -1.948 -24.359 544 HB1 ALA 81 1HB ALA 81 -9.131 0.118 -25.961 545 HB2 ALA 81 2HB ALA 81 -10.169 -1.145 -25.299 546 HB3 ALA 81 3HB ALA 81 -10.027 0.405 -24.469 547 HA PRO 82 HA PRO 82 -4.468 -0.409 -25.827 548 HB2 PRO 82 2HB PRO 82 -4.610 -0.929 -28.488 549 HB3 PRO 82 3HB PRO 82 -4.413 -2.196 -27.271 550 HG2 PRO 82 2HG PRO 82 -6.893 -1.297 -28.686 551 HG3 PRO 82 3HG PRO 82 -6.345 -2.945 -28.328 552 HD2 PRO 82 2HD PRO 82 -8.228 -1.682 -26.848 553 HD3 PRO 82 3HD PRO 82 -7.093 -2.855 -26.149 554 HA PRO 83 HA PRO 83 -4.719 3.673 -27.440 555 HB2 PRO 83 2HB PRO 83 -2.480 3.857 -28.964 556 HB3 PRO 83 3HB PRO 83 -2.439 3.818 -27.197 557 HG2 PRO 83 2HG PRO 83 -1.959 1.602 -29.152 558 HG3 PRO 83 3HG PRO 83 -1.065 2.003 -27.675 559 HD2 PRO 83 2HD PRO 83 -2.901 0.015 -27.772 560 HD3 PRO 83 3HD PRO 83 -2.614 0.979 -26.309 561 H MET 84 H MET 84 -4.103 1.151 -29.841 562 HA MET 84 HA MET 84 -4.846 0.850 -31.968 563 HB2 MET 84 2HB MET 84 -6.944 2.332 -30.626 564 HB3 MET 84 3HB MET 84 -6.886 2.726 -32.339 565 HG2 MET 84 2HG MET 84 -6.645 -0.089 -32.065 566 HG3 MET 84 3HG MET 84 -8.004 0.454 -31.083 567 HE1 MET 84 1HE MET 84 -9.649 -0.859 -32.320 568 HE2 MET 84 2HE MET 84 -10.431 0.717 -32.201 569 HE3 MET 84 3HE MET 84 -10.503 -0.191 -33.711 570 H TYR 85 H TYR 85 -3.060 1.586 -33.066 571 HA TYR 85 HA TYR 85 -3.182 4.380 -33.998 572 HB2 TYR 85 2HB TYR 85 -1.121 3.160 -32.584 573 HB3 TYR 85 3HB TYR 85 -0.564 3.132 -34.254 574 HD1 TYR 85 HD1 TYR 85 -0.024 4.861 -31.469 575 HD2 TYR 85 HD2 TYR 85 -1.516 5.601 -35.385 576 HE1 TYR 85 HE1 TYR 85 0.654 7.217 -31.275 577 HE2 TYR 85 HE2 TYR 85 -0.840 7.959 -35.202 578 HH TYR 85 HH TYR 85 -0.456 9.599 -33.027 579 H ASP 86 H ASP 86 -3.462 4.649 -36.106 580 HA ASP 86 HA ASP 86 -3.938 2.613 -37.909 581 HB2 ASP 86 2HB ASP 86 -3.335 5.513 -38.145 582 HB3 ASP 86 3HB ASP 86 -3.190 4.546 -39.610 583 H ASP 87 H ASP 87 -0.924 4.391 -37.348 584 HA ASP 87 HA ASP 87 0.631 3.350 -39.381 585 HB2 ASP 87 2HB ASP 87 1.193 5.125 -37.571 586 HB3 ASP 87 3HB ASP 87 1.764 3.752 -36.627 587 H VAL 88 H VAL 88 0.670 2.149 -36.019 588 HA VAL 88 HA VAL 88 1.078 -0.564 -37.089 589 HB VAL 88 HB VAL 88 2.445 0.518 -34.624 590 HG11 VAL 88 1HG1 VAL 88 2.934 -2.034 -36.153 591 HG12 VAL 88 2HG1 VAL 88 3.683 -1.539 -34.633 592 HG13 VAL 88 3HG1 VAL 88 1.962 -1.922 -34.686 593 HG21 VAL 88 1HG2 VAL 88 4.510 0.157 -36.168 594 HG22 VAL 88 2HG2 VAL 88 3.337 0.343 -37.472 595 HG23 VAL 88 3HG2 VAL 88 3.568 1.642 -36.302 596 H GLN 89 H GLN 89 -0.159 -2.117 -36.208 597 HA GLN 89 HA GLN 89 -2.308 -1.409 -34.499 598 HB2 GLN 89 2HB GLN 89 -1.386 -3.816 -35.911 599 HB3 GLN 89 3HB GLN 89 -2.253 -4.143 -34.416 600 HG2 GLN 89 2HG GLN 89 -4.191 -3.749 -35.398 601 HG3 GLN 89 3HG GLN 89 -3.653 -2.150 -35.910 602 HE21 GLN 89 1HE2 GLN 89 -2.194 -2.165 -37.856 603 HE22 GLN 89 2HE2 GLN 89 -2.619 -3.238 -39.141 604 H LEU 90 H LEU 90 -2.309 -1.214 -32.367 605 HA LEU 90 HA LEU 90 -0.127 -2.427 -30.830 606 HB2 LEU 90 2HB LEU 90 -1.498 0.076 -30.725 607 HB3 LEU 90 3HB LEU 90 -1.724 -0.767 -29.194 608 HG LEU 90 HG LEU 90 0.167 0.710 -29.027 609 HD11 LEU 90 1HD1 LEU 90 1.810 -0.815 -28.236 610 HD12 LEU 90 2HD1 LEU 90 1.223 -2.096 -29.296 611 HD13 LEU 90 3HD1 LEU 90 0.233 -1.548 -27.943 612 HD21 LEU 90 1HD2 LEU 90 1.366 -0.801 -31.345 613 HD22 LEU 90 2HD2 LEU 90 2.109 0.526 -30.451 614 HD23 LEU 90 3HD2 LEU 90 0.678 0.820 -31.440 615 H THR 91 H THR 91 -0.468 -3.897 -29.247 616 HA THR 91 HA THR 91 -3.259 -4.645 -28.665 617 HB THR 91 HB THR 91 -1.131 -6.738 -28.601 618 HG1 THR 91 HG1 THR 91 -2.247 -5.565 -30.917 619 HG21 THR 91 1HG2 THR 91 -3.414 -7.204 -27.800 620 HG22 THR 91 2HG2 THR 91 -2.992 -8.188 -29.201 621 HG23 THR 91 3HG2 THR 91 -4.045 -6.786 -29.392 622 H ALA 92 H ALA 92 -3.530 -3.876 -26.648 623 HA ALA 92 HA ALA 92 -1.473 -4.511 -24.637 624 HB1 ALA 92 1HB ALA 92 -1.676 -2.438 -23.875 625 HB2 ALA 92 2HB ALA 92 -2.754 -2.087 -25.226 626 HB3 ALA 92 3HB ALA 92 -3.419 -2.631 -23.686 627 H GLU 93 H GLU 93 -2.008 -5.614 -22.805 628 HA GLU 93 HA GLU 93 -4.758 -6.662 -22.676 629 HB2 GLU 93 2HB GLU 93 -2.102 -7.908 -22.262 630 HB3 GLU 93 3HB GLU 93 -3.376 -8.410 -21.159 631 HG2 GLU 93 2HG GLU 93 -3.608 -8.489 -24.157 632 HG3 GLU 93 3HG GLU 93 -3.123 -9.857 -23.157 633 H MET 94 H MET 94 -5.444 -7.312 -20.432 634 HA MET 94 HA MET 94 -4.700 -5.168 -18.568 635 HB2 MET 94 2HB MET 94 -7.125 -5.569 -19.364 636 HB3 MET 94 3HB MET 94 -7.103 -6.952 -18.279 637 HG2 MET 94 2HG MET 94 -7.263 -5.680 -16.445 638 HG3 MET 94 3HG MET 94 -6.174 -4.448 -17.080 639 HE1 MET 94 1HE MET 94 -10.488 -4.078 -16.440 640 HE2 MET 94 2HE MET 94 -10.139 -5.616 -17.229 641 HE3 MET 94 3HE MET 94 -9.281 -5.166 -15.755 642 H LYS 95 H LYS 95 -4.424 -5.641 -16.327 643 HA LYS 95 HA LYS 95 -2.816 -7.889 -15.814 644 HB2 LYS 95 2HB LYS 95 -2.868 -7.178 -13.480 645 HB3 LYS 95 3HB LYS 95 -2.641 -5.796 -14.543 646 HG2 LYS 95 2HG LYS 95 -5.155 -5.445 -14.360 647 HG3 LYS 95 3HG LYS 95 -5.099 -6.595 -13.021 648 HD2 LYS 95 2HD LYS 95 -3.813 -5.181 -11.697 649 HD3 LYS 95 3HD LYS 95 -3.246 -4.242 -13.080 650 HE2 LYS 95 2HE LYS 95 -5.261 -3.082 -13.268 651 HE3 LYS 95 3HE LYS 95 -6.147 -4.279 -12.324 652 HZ1 LYS 95 1HZ LYS 95 -5.755 -3.112 -10.503 653 HZ2 LYS 95 2HZ LYS 95 -4.971 -1.926 -11.420 654 HZ3 LYS 95 3HZ LYS 95 -4.083 -3.200 -10.748 655 H THR 96 H THR 96 -6.233 -7.266 -15.279 656 HA THR 96 HA THR 96 -6.802 -9.465 -13.627 657 HB THR 96 HB THR 96 -8.767 -8.408 -15.644 658 HG1 THR 96 HG1 THR 96 -9.149 -6.674 -14.239 659 HG21 THR 96 1HG2 THR 96 -10.008 -9.871 -14.464 660 HG22 THR 96 2HG2 THR 96 -10.021 -8.611 -13.229 661 HG23 THR 96 3HG2 THR 96 -8.851 -9.927 -13.134 662 H THR 97 H THR 97 -7.000 -9.114 -17.161 663 HA THR 97 HA THR 97 -7.982 -11.636 -17.782 664 HB THR 97 HB THR 97 -5.933 -10.205 -19.471 665 HG1 THR 97 HG1 THR 97 -7.904 -9.173 -20.361 666 HG21 THR 97 1HG2 THR 97 -6.399 -12.064 -20.685 667 HG22 THR 97 2HG2 THR 97 -7.812 -11.123 -21.163 668 HG23 THR 97 3HG2 THR 97 -7.947 -12.329 -19.884 669 H TYR 98 H TYR 98 -4.590 -10.586 -17.527 670 HA TYR 98 HA TYR 98 -3.412 -13.048 -18.137 671 HB2 TYR 98 2HB TYR 98 -2.549 -10.520 -16.895 672 HB3 TYR 98 3HB TYR 98 -1.608 -11.931 -16.423 673 HD1 TYR 98 HD1 TYR 98 -2.965 -10.294 -19.497 674 HD2 TYR 98 HD2 TYR 98 0.191 -12.542 -17.740 675 HE1 TYR 98 HE1 TYR 98 -1.695 -10.141 -21.597 676 HE2 TYR 98 HE2 TYR 98 1.471 -12.394 -19.835 677 HH TYR 98 HH TYR 98 1.101 -12.018 -22.194 678 H LEU 99 H LEU 99 -4.273 -11.642 -14.990 679 HA LEU 99 HA LEU 99 -3.305 -13.643 -13.336 680 HB2 LEU 99 2HB LEU 99 -4.594 -11.333 -12.921 681 HB3 LEU 99 3HB LEU 99 -5.921 -12.454 -12.625 682 HG LEU 99 HG LEU 99 -3.670 -13.376 -11.163 683 HD11 LEU 99 1HD1 LEU 99 -4.299 -10.483 -10.604 684 HD12 LEU 99 2HD1 LEU 99 -2.839 -11.048 -11.415 685 HD13 LEU 99 3HD1 LEU 99 -3.156 -11.515 -9.744 686 HD21 LEU 99 1HD2 LEU 99 -5.991 -11.937 -9.950 687 HD22 LEU 99 2HD2 LEU 99 -5.160 -13.392 -9.399 688 HD23 LEU 99 3HD2 LEU 99 -6.241 -13.467 -10.791 689 H GLU 100 H GLU 100 -6.486 -13.397 -14.896 690 HA GLU 100 HA GLU 100 -7.546 -15.774 -13.806 691 HB2 GLU 100 2HB GLU 100 -8.752 -13.832 -15.017 692 HB3 GLU 100 3HB GLU 100 -8.337 -14.688 -16.495 693 HG2 GLU 100 2HG GLU 100 -9.891 -16.266 -16.171 694 HG3 GLU 100 3HG GLU 100 -9.588 -16.354 -14.437 695 H ARG 101 H ARG 101 -5.711 -15.104 -16.741 696 HA ARG 101 HA ARG 101 -6.006 -17.585 -18.000 697 HB2 ARG 101 2HB ARG 101 -4.698 -15.240 -18.575 698 HB3 ARG 101 3HB ARG 101 -3.362 -16.351 -18.310 699 HG2 ARG 101 2HG ARG 101 -3.617 -16.974 -20.423 700 HG3 ARG 101 3HG ARG 101 -5.102 -17.780 -19.913 701 HD2 ARG 101 2HD ARG 101 -6.079 -16.466 -21.449 702 HD3 ARG 101 3HD ARG 101 -5.964 -15.223 -20.204 703 HE ARG 101 HE ARG 101 -4.452 -14.132 -21.514 704 HH11 ARG 101 1HH1 ARG 101 -4.588 -17.464 -22.515 705 HH12 ARG 101 2HH1 ARG 101 -3.535 -17.236 -23.871 706 HH21 ARG 101 1HH2 ARG 101 -3.064 -13.819 -23.298 707 HH22 ARG 101 2HH2 ARG 101 -2.668 -15.162 -24.315 708 H LYS 102 H LYS 102 -3.275 -16.444 -16.004 709 HA LYS 102 HA LYS 102 -1.928 -18.894 -15.890 710 HB2 LYS 102 2HB LYS 102 -0.759 -17.944 -13.931 711 HB3 LYS 102 3HB LYS 102 -0.837 -16.816 -15.278 712 HG2 LYS 102 2HG LYS 102 -2.737 -15.688 -14.185 713 HG3 LYS 102 3HG LYS 102 -2.566 -16.785 -12.812 714 HD2 LYS 102 2HD LYS 102 -0.274 -15.102 -13.780 715 HD3 LYS 102 3HD LYS 102 -1.469 -14.472 -12.645 716 HE2 LYS 102 2HE LYS 102 -0.781 -16.937 -11.592 717 HE3 LYS 102 3HE LYS 102 0.746 -16.298 -12.199 718 HZ1 LYS 102 1HZ LYS 102 -0.485 -15.652 -9.828 719 HZ2 LYS 102 2HZ LYS 102 -0.727 -14.300 -10.814 720 HZ3 LYS 102 3HZ LYS 102 0.841 -14.866 -10.526 721 H ALA 103 H ALA 103 -4.419 -17.521 -13.796 722 HA ALA 103 HA ALA 103 -4.353 -19.388 -11.731 723 HB1 ALA 103 1HB ALA 103 -6.519 -17.651 -12.849 724 HB2 ALA 103 2HB ALA 103 -6.862 -18.795 -11.550 725 HB3 ALA 103 3HB ALA 103 -5.664 -17.522 -11.312 726 H GLU 104 H GLU 104 -6.189 -19.448 -14.772 727 HA GLU 104 HA GLU 104 -7.484 -21.918 -14.242 728 HB2 GLU 104 2HB GLU 104 -8.182 -20.133 -15.919 729 HB3 GLU 104 3HB GLU 104 -6.930 -20.772 -16.975 730 HG2 GLU 104 2HG GLU 104 -8.017 -22.912 -17.060 731 HG3 GLU 104 3HG GLU 104 -9.211 -22.393 -15.870 732 H GLU 105 H GLU 105 -4.509 -21.033 -15.917 733 HA GLU 105 HA GLU 105 -3.913 -23.487 -17.096 734 HB2 GLU 105 2HB GLU 105 -2.707 -21.351 -17.524 735 HB3 GLU 105 3HB GLU 105 -1.940 -21.506 -15.950 736 HG2 GLU 105 2HG GLU 105 -1.173 -23.821 -16.862 737 HG3 GLU 105 3HG GLU 105 -1.503 -23.093 -18.433 738 H ILE 106 H ILE 106 -2.554 -22.218 -14.048 739 HA ILE 106 HA ILE 106 -1.321 -24.578 -13.232 740 HB ILE 106 HB ILE 106 -0.852 -22.422 -12.180 741 HG12 ILE 106 2HG1 ILE 106 -1.797 -23.749 -9.776 742 HG13 ILE 106 3HG1 ILE 106 -1.081 -24.895 -10.904 743 HG21 ILE 106 1HG2 ILE 106 -2.353 -21.282 -10.775 744 HG22 ILE 106 2HG2 ILE 106 -3.296 -21.724 -12.198 745 HG23 ILE 106 3HG2 ILE 106 -3.460 -22.653 -10.708 746 HD11 ILE 106 1HD1 ILE 106 0.661 -22.715 -10.845 747 HD12 ILE 106 2HD1 ILE 106 0.193 -23.006 -9.169 748 HD13 ILE 106 3HD1 ILE 106 0.900 -24.308 -10.126 749 H ALA 107 H ALA 107 -4.636 -23.493 -12.859 750 HA ALA 107 HA ALA 107 -5.523 -25.280 -10.915 751 HB1 ALA 107 1HB ALA 107 -7.123 -24.292 -13.270 752 HB2 ALA 107 2HB ALA 107 -7.744 -24.852 -11.717 753 HB3 ALA 107 3HB ALA 107 -6.815 -23.356 -11.807 754 H ALA 108 H ALA 108 -5.329 -25.670 -14.435 755 HA ALA 108 HA ALA 108 -6.474 -28.272 -14.474 756 HB1 ALA 108 1HB ALA 108 -6.562 -26.998 -16.475 757 HB2 ALA 108 2HB ALA 108 -4.813 -26.765 -16.481 758 HB3 ALA 108 3HB ALA 108 -5.491 -28.364 -16.786 759 H LYS 109 H LYS 109 -3.165 -27.052 -14.334 760 HA LYS 109 HA LYS 109 -1.842 -29.506 -14.704 761 HB2 LYS 109 2HB LYS 109 -1.049 -26.936 -13.349 762 HB3 LYS 109 3HB LYS 109 0.037 -28.317 -13.417 763 HG2 LYS 109 2HG LYS 109 -1.192 -27.193 -15.905 764 HG3 LYS 109 3HG LYS 109 0.266 -26.491 -15.200 765 HD2 LYS 109 2HD LYS 109 1.361 -28.003 -16.441 766 HD3 LYS 109 3HD LYS 109 0.859 -29.161 -15.207 767 HE2 LYS 109 2HE LYS 109 -0.996 -29.869 -16.500 768 HE3 LYS 109 3HE LYS 109 -0.819 -28.519 -17.620 769 HZ1 LYS 109 1HZ LYS 109 0.045 -30.426 -18.684 770 HZ2 LYS 109 2HZ LYS 109 0.960 -30.872 -17.334 771 HZ3 LYS 109 3HZ LYS 109 1.385 -29.499 -18.227 772 H LYS 110 H LYS 110 -2.508 -27.743 -11.674 773 HA LYS 110 HA LYS 110 -1.896 -30.121 -10.123 774 HB2 LYS 110 2HB LYS 110 -2.040 -27.267 -9.628 775 HB3 LYS 110 3HB LYS 110 -2.911 -28.172 -8.398 776 HG2 LYS 110 2HG LYS 110 -1.015 -28.736 -7.411 777 HG3 LYS 110 3HG LYS 110 -0.400 -29.440 -8.908 778 HD2 LYS 110 2HD LYS 110 -0.361 -26.474 -8.506 779 HD3 LYS 110 3HD LYS 110 0.894 -27.486 -7.785 780 HE2 LYS 110 2HE LYS 110 0.331 -28.059 -10.606 781 HE3 LYS 110 3HE LYS 110 0.975 -26.447 -10.303 782 HZ1 LYS 110 1HZ LYS 110 2.948 -27.273 -9.556 783 HZ2 LYS 110 2HZ LYS 110 2.555 -28.477 -10.676 784 HZ3 LYS 110 3HZ LYS 110 2.285 -28.736 -9.026 Start of MODEL 20 1 H1 THR 12 H THR 12 -0.383 3.012 -0.161 2 HA THR 12 HA THR 12 1.185 2.634 -1.795 3 HB THR 12 HB THR 12 1.461 -0.251 -1.621 4 HG1 THR 12 HG1 THR 12 1.855 1.294 0.742 5 HG21 THR 12 1HG2 THR 12 3.568 1.712 -0.829 6 HG22 THR 12 2HG2 THR 12 3.018 1.670 -2.504 7 HG23 THR 12 3HG2 THR 12 3.712 0.226 -1.767 8 H ASP 13 H ASP 13 0.957 2.228 -3.952 9 HA ASP 13 HA ASP 13 -1.189 0.395 -4.776 10 HB2 ASP 13 2HB ASP 13 -0.783 3.020 -6.180 11 HB3 ASP 13 3HB ASP 13 -2.191 1.962 -6.197 12 H HIS 14 H HIS 14 -0.736 -0.848 -6.508 13 HA HIS 14 HA HIS 14 1.753 -0.272 -7.978 14 HB2 HIS 14 2HB HIS 14 2.048 -2.728 -8.204 15 HB3 HIS 14 3HB HIS 14 2.112 -2.182 -6.531 16 HD1 HIS 14 HD1 HIS 14 0.368 -4.496 -8.763 17 HD2 HIS 14 HD2 HIS 14 -0.305 -2.782 -5.039 18 HE1 HIS 14 HE1 HIS 14 -1.447 -5.878 -7.705 19 H GLN 15 H GLN 15 1.548 -0.064 -10.108 20 HA GLN 15 HA GLN 15 -0.760 -1.308 -11.438 21 HB2 GLN 15 2HB GLN 15 -1.101 0.691 -12.783 22 HB3 GLN 15 3HB GLN 15 -1.243 1.077 -11.073 23 HG2 GLN 15 2HG GLN 15 1.260 1.728 -11.279 24 HG3 GLN 15 3HG GLN 15 0.910 1.807 -13.005 25 HE21 GLN 15 1HE2 GLN 15 -1.527 2.868 -13.155 26 HE22 GLN 15 2HE2 GLN 15 -1.568 4.446 -12.455 27 H THR 16 H THR 16 -0.295 -2.353 -13.276 28 HA THR 16 HA THR 16 2.080 -1.681 -14.809 29 HB THR 16 HB THR 16 1.900 -4.576 -14.269 30 HG1 THR 16 HG1 THR 16 1.974 -4.324 -12.170 31 HG21 THR 16 1HG2 THR 16 3.953 -2.514 -14.844 32 HG22 THR 16 2HG2 THR 16 3.756 -4.134 -15.513 33 HG23 THR 16 3HG2 THR 16 4.468 -3.920 -13.914 34 H VAL 17 H VAL 17 1.791 -2.023 -16.937 35 HA VAL 17 HA VAL 17 -0.570 -3.589 -17.754 36 HB VAL 17 HB VAL 17 0.630 -1.265 -19.261 37 HG11 VAL 17 1HG1 VAL 17 -0.511 -2.440 -20.859 38 HG12 VAL 17 2HG1 VAL 17 -1.667 -3.106 -19.704 39 HG13 VAL 17 3HG1 VAL 17 -1.813 -1.429 -20.233 40 HG21 VAL 17 1HG2 VAL 17 -0.242 -0.207 -17.397 41 HG22 VAL 17 2HG2 VAL 17 -1.611 -0.187 -18.509 42 HG23 VAL 17 3HG2 VAL 17 -1.546 -1.380 -17.212 43 H TYR 18 H TYR 18 -0.415 -4.891 -19.588 44 HA TYR 18 HA TYR 18 2.344 -5.487 -20.429 45 HB2 TYR 18 2HB TYR 18 -0.015 -7.360 -20.613 46 HB3 TYR 18 3HB TYR 18 1.692 -7.756 -20.779 47 HD1 TYR 18 HD1 TYR 18 3.109 -8.001 -18.827 48 HD2 TYR 18 HD2 TYR 18 -1.004 -6.991 -18.417 49 HE1 TYR 18 HE1 TYR 18 3.222 -8.540 -16.430 50 HE2 TYR 18 HE2 TYR 18 -0.902 -7.526 -16.019 51 HH TYR 18 HH TYR 18 2.089 -8.731 -14.530 52 H VAL 19 H VAL 19 2.883 -5.286 -22.510 53 HA VAL 19 HA VAL 19 0.723 -4.995 -24.493 54 HB VAL 19 HB VAL 19 3.303 -3.430 -24.535 55 HG11 VAL 19 1HG1 VAL 19 0.928 -3.631 -26.312 56 HG12 VAL 19 2HG1 VAL 19 1.711 -2.059 -26.135 57 HG13 VAL 19 3HG1 VAL 19 2.634 -3.444 -26.719 58 HG21 VAL 19 1HG2 VAL 19 1.764 -1.478 -24.018 59 HG22 VAL 19 2HG2 VAL 19 0.571 -2.680 -23.524 60 HG23 VAL 19 3HG2 VAL 19 2.118 -2.575 -22.683 61 H LYS 20 H LYS 20 1.137 -5.776 -26.566 62 HA LYS 20 HA LYS 20 2.597 -8.103 -26.810 63 HB2 LYS 20 2HB LYS 20 2.467 -7.625 -29.325 64 HB3 LYS 20 3HB LYS 20 0.950 -7.727 -28.441 65 HG2 LYS 20 2HG LYS 20 0.433 -5.579 -28.823 66 HG3 LYS 20 3HG LYS 20 2.098 -5.032 -28.616 67 HD2 LYS 20 2HD LYS 20 1.531 -6.656 -31.021 68 HD3 LYS 20 3HD LYS 20 0.832 -5.035 -30.982 69 HE2 LYS 20 2HE LYS 20 3.499 -4.819 -30.077 70 HE3 LYS 20 3HE LYS 20 3.524 -5.825 -31.524 71 HZ1 LYS 20 1HZ LYS 20 3.039 -4.092 -32.815 72 HZ2 LYS 20 2HZ LYS 20 3.467 -3.121 -31.498 73 HZ3 LYS 20 3HZ LYS 20 1.843 -3.507 -31.771 74 HA PRO 21 HA PRO 21 6.816 -7.042 -27.383 75 HB2 PRO 21 2HB PRO 21 7.610 -8.897 -29.199 76 HB3 PRO 21 3HB PRO 21 7.252 -9.294 -27.515 77 HG2 PRO 21 2HG PRO 21 5.533 -9.618 -29.944 78 HG3 PRO 21 3HG PRO 21 5.783 -10.739 -28.593 79 HD2 PRO 21 2HD PRO 21 3.596 -9.154 -28.785 80 HD3 PRO 21 3HD PRO 21 4.305 -9.619 -27.225 81 H VAL 22 H VAL 22 8.448 -6.390 -28.996 82 HA VAL 22 HA VAL 22 7.169 -5.075 -31.299 83 HB VAL 22 HB VAL 22 9.253 -3.613 -31.261 84 HG11 VAL 22 1HG1 VAL 22 7.859 -3.155 -28.699 85 HG12 VAL 22 2HG1 VAL 22 8.114 -2.068 -30.065 86 HG13 VAL 22 3HG1 VAL 22 6.840 -3.286 -30.132 87 HG21 VAL 22 1HG2 VAL 22 10.727 -3.653 -29.511 88 HG22 VAL 22 2HG2 VAL 22 9.555 -4.351 -28.393 89 HG23 VAL 22 3HG2 VAL 22 10.327 -5.368 -29.610 90 HA PRO 23 HA PRO 23 9.544 -7.400 -34.167 91 HB2 PRO 23 2HB PRO 23 9.979 -5.561 -36.116 92 HB3 PRO 23 3HB PRO 23 8.399 -6.300 -35.828 93 HG2 PRO 23 2HG PRO 23 9.429 -3.630 -34.951 94 HG3 PRO 23 3HG PRO 23 7.840 -4.053 -35.615 95 HD2 PRO 23 2HD PRO 23 8.263 -3.697 -32.964 96 HD3 PRO 23 3HD PRO 23 7.068 -4.848 -33.594 97 HA PRO 24 HA PRO 24 13.870 -6.751 -33.723 98 HB2 PRO 24 2HB PRO 24 14.848 -7.550 -36.126 99 HB3 PRO 24 3HB PRO 24 14.196 -8.678 -34.932 100 HG2 PRO 24 2HG PRO 24 12.884 -7.529 -37.365 101 HG3 PRO 24 3HG PRO 24 12.847 -9.193 -36.754 102 HD2 PRO 24 2HD PRO 24 10.812 -7.451 -36.360 103 HD3 PRO 24 3HD PRO 24 11.228 -8.714 -35.185 104 H THR 25 H THR 25 12.187 -5.114 -36.258 105 HA THR 25 HA THR 25 14.441 -3.453 -37.002 106 HB THR 25 HB THR 25 12.025 -2.332 -37.980 107 HG1 THR 25 HG1 THR 25 10.839 -4.133 -37.804 108 HG21 THR 25 1HG2 THR 25 13.035 -2.595 -40.038 109 HG22 THR 25 2HG2 THR 25 13.735 -4.157 -39.614 110 HG23 THR 25 3HG2 THR 25 14.431 -2.673 -38.964 111 H ALA 26 H ALA 26 11.533 -3.222 -35.044 112 HA ALA 26 HA ALA 26 11.463 -0.462 -34.634 113 HB1 ALA 26 1HB ALA 26 10.315 -1.083 -32.456 114 HB2 ALA 26 2HB ALA 26 9.590 -1.705 -33.939 115 HB3 ALA 26 3HB ALA 26 10.568 -2.765 -32.924 116 H THR 27 H THR 27 13.113 0.744 -33.963 117 HA THR 27 HA THR 27 15.120 -0.325 -32.166 118 HB THR 27 HB THR 27 15.959 2.164 -32.401 119 HG1 THR 27 HG1 THR 27 14.918 3.312 -33.841 120 HG21 THR 27 1HG2 THR 27 17.498 1.195 -33.694 121 HG22 THR 27 2HG2 THR 27 16.338 0.976 -35.005 122 HG23 THR 27 3HG2 THR 27 16.472 -0.238 -33.734 123 H LEU 28 H LEU 28 15.904 1.324 -30.422 124 HA LEU 28 HA LEU 28 13.782 1.576 -28.533 125 HB2 LEU 28 2HB LEU 28 16.296 1.112 -28.144 126 HB3 LEU 28 3HB LEU 28 16.469 2.864 -28.225 127 HG LEU 28 HG LEU 28 14.442 1.807 -26.341 128 HD11 LEU 28 1HD1 LEU 28 17.399 1.411 -26.011 129 HD12 LEU 28 2HD1 LEU 28 16.099 0.239 -25.797 130 HD13 LEU 28 3HD1 LEU 28 16.308 1.547 -24.632 131 HD21 LEU 28 1HD2 LEU 28 16.569 3.894 -25.941 132 HD22 LEU 28 2HD2 LEU 28 15.051 3.693 -25.065 133 HD23 LEU 28 3HD2 LEU 28 15.036 4.238 -26.743 134 H GLU 29 H GLU 29 15.751 3.902 -30.354 135 HA GLU 29 HA GLU 29 14.619 6.232 -29.265 136 HB2 GLU 29 2HB GLU 29 16.732 6.041 -30.660 137 HB3 GLU 29 3HB GLU 29 15.688 5.964 -32.073 138 HG2 GLU 29 2HG GLU 29 14.793 8.159 -31.564 139 HG3 GLU 29 3HG GLU 29 15.773 8.236 -30.101 140 H GLN 30 H GLN 30 13.657 4.187 -31.961 141 HA GLN 30 HA GLN 30 11.660 5.922 -32.984 142 HB2 GLN 30 2HB GLN 30 12.717 4.015 -34.228 143 HB3 GLN 30 3HB GLN 30 11.772 2.914 -33.234 144 HG2 GLN 30 2HG GLN 30 10.018 3.140 -34.558 145 HG3 GLN 30 3HG GLN 30 10.054 4.893 -34.383 146 HE21 GLN 30 1HE2 GLN 30 11.356 6.110 -35.845 147 HE22 GLN 30 2HE2 GLN 30 11.719 5.490 -37.416 148 H LEU 31 H LEU 31 11.484 3.057 -30.879 149 HA LEU 31 HA LEU 31 8.722 3.051 -30.490 150 HB2 LEU 31 2HB LEU 31 11.053 1.830 -29.259 151 HB3 LEU 31 3HB LEU 31 9.778 2.166 -28.090 152 HG LEU 31 HG LEU 31 9.275 0.629 -30.627 153 HD11 LEU 31 1HD1 LEU 31 10.825 -0.193 -28.377 154 HD12 LEU 31 2HD1 LEU 31 10.376 -1.112 -29.814 155 HD13 LEU 31 3HD1 LEU 31 9.316 -1.105 -28.405 156 HD21 LEU 31 1HD2 LEU 31 7.238 1.321 -29.754 157 HD22 LEU 31 2HD2 LEU 31 7.780 1.150 -28.084 158 HD23 LEU 31 3HD2 LEU 31 7.443 -0.285 -29.054 159 H THR 32 H THR 32 11.267 4.549 -28.503 160 HA THR 32 HA THR 32 9.585 5.676 -26.570 161 HB THR 32 HB THR 32 12.219 6.805 -27.533 162 HG1 THR 32 HG1 THR 32 13.182 5.371 -26.190 163 HG21 THR 32 1HG2 THR 32 10.392 7.790 -25.663 164 HG22 THR 32 2HG2 THR 32 12.073 8.281 -25.865 165 HG23 THR 32 3HG2 THR 32 11.657 7.018 -24.708 166 H GLU 33 H GLU 33 10.854 7.049 -29.592 167 HA GLU 33 HA GLU 33 9.855 9.621 -29.370 168 HB2 GLU 33 2HB GLU 33 11.378 8.749 -31.169 169 HB3 GLU 33 3HB GLU 33 9.970 8.021 -31.929 170 HG2 GLU 33 2HG GLU 33 9.127 10.575 -31.634 171 HG3 GLU 33 3HG GLU 33 10.856 10.815 -31.875 172 H PHE 34 H PHE 34 8.288 6.837 -30.953 173 HA PHE 34 HA PHE 34 5.884 8.111 -31.581 174 HB2 PHE 34 2HB PHE 34 6.797 5.304 -31.328 175 HB3 PHE 34 3HB PHE 34 5.058 5.563 -31.238 176 HD1 PHE 34 HD1 PHE 34 7.899 6.840 -33.302 177 HD2 PHE 34 HD2 PHE 34 3.942 5.274 -33.210 178 HE1 PHE 34 HE1 PHE 34 7.796 6.964 -35.757 179 HE2 PHE 34 HE2 PHE 34 3.834 5.395 -35.665 180 HZ PHE 34 HZ PHE 34 5.763 6.241 -36.942 181 H PHE 35 H PHE 35 6.844 6.323 -28.682 182 HA PHE 35 HA PHE 35 4.414 6.241 -27.355 183 HB2 PHE 35 2HB PHE 35 7.134 5.747 -26.717 184 HB3 PHE 35 3HB PHE 35 6.485 6.786 -25.453 185 HD1 PHE 35 HD1 PHE 35 7.193 3.567 -26.028 186 HD2 PHE 35 HD2 PHE 35 3.821 5.957 -25.012 187 HE1 PHE 35 HE1 PHE 35 6.129 1.613 -24.977 188 HE2 PHE 35 HE2 PHE 35 2.752 4.007 -23.959 189 HZ PHE 35 HZ PHE 35 3.906 1.832 -23.940 190 H SER 36 H SER 36 6.970 8.695 -26.932 191 HA SER 36 HA SER 36 5.486 10.406 -25.290 192 HB2 SER 36 2HB SER 36 8.036 10.392 -25.933 193 HB3 SER 36 3HB SER 36 7.519 11.512 -27.194 194 HG SER 36 HG SER 36 8.056 12.108 -24.724 195 H LYS 37 H LYS 37 5.629 10.091 -28.772 196 HA LYS 37 HA LYS 37 4.431 12.506 -29.513 197 HB2 LYS 37 2HB LYS 37 5.520 10.755 -31.012 198 HB3 LYS 37 3HB LYS 37 3.996 9.882 -30.934 199 HG2 LYS 37 2HG LYS 37 3.271 12.471 -31.619 200 HG3 LYS 37 3HG LYS 37 4.740 12.158 -32.546 201 HD2 LYS 37 2HD LYS 37 2.733 9.989 -32.493 202 HD3 LYS 37 3HD LYS 37 2.285 11.449 -33.377 203 HE2 LYS 37 2HE LYS 37 5.002 10.612 -33.952 204 HE3 LYS 37 3HE LYS 37 3.830 9.347 -34.318 205 HZ1 LYS 37 1HZ LYS 37 4.197 10.785 -36.220 206 HZ2 LYS 37 2HZ LYS 37 3.731 12.141 -35.323 207 HZ3 LYS 37 3HZ LYS 37 2.603 10.930 -35.673 208 H HIS 38 H HIS 38 3.034 9.473 -28.418 209 HA HIS 38 HA HIS 38 0.489 10.835 -28.004 210 HB2 HIS 38 2HB HIS 38 0.550 9.591 -30.275 211 HB3 HIS 38 3HB HIS 38 0.474 8.123 -29.305 212 HD1 HIS 38 HD1 HIS 38 -1.831 8.495 -31.108 213 HD2 HIS 38 HD2 HIS 38 -1.726 10.214 -27.328 214 HE1 HIS 38 HE1 HIS 38 -4.232 8.927 -30.499 215 H GLY 39 H GLY 39 0.054 10.546 -25.924 216 HA2 GLY 39 2HA GLY 39 -0.660 9.162 -24.129 217 HA3 GLY 39 3HA GLY 39 0.298 7.849 -24.797 218 H THR 40 H THR 40 0.172 9.140 -22.081 219 HA THR 40 HA THR 40 2.993 9.952 -21.848 220 HB THR 40 HB THR 40 1.168 10.351 -19.545 221 HG1 THR 40 HG1 THR 40 0.303 12.246 -20.513 222 HG21 THR 40 1HG2 THR 40 3.340 11.158 -19.218 223 HG22 THR 40 2HG2 THR 40 2.419 12.600 -19.644 224 HG23 THR 40 3HG2 THR 40 3.439 11.818 -20.850 225 H VAL 41 H VAL 41 4.298 8.400 -21.154 226 HA VAL 41 HA VAL 41 3.250 6.438 -19.218 227 HB VAL 41 HB VAL 41 5.047 4.901 -20.100 228 HG11 VAL 41 1HG1 VAL 41 3.590 3.961 -21.580 229 HG12 VAL 41 2HG1 VAL 41 2.500 5.113 -20.807 230 HG13 VAL 41 3HG1 VAL 41 3.226 5.495 -22.369 231 HG21 VAL 41 1HG2 VAL 41 6.310 5.395 -21.924 232 HG22 VAL 41 2HG2 VAL 41 5.080 6.441 -22.633 233 HG23 VAL 41 3HG2 VAL 41 6.087 7.034 -21.312 234 H GLN 42 H GLN 42 4.551 5.846 -17.488 235 HA GLN 42 HA GLN 42 6.436 7.842 -16.640 236 HB2 GLN 42 2HB GLN 42 4.766 6.593 -15.162 237 HB3 GLN 42 3HB GLN 42 5.872 5.228 -15.252 238 HG2 GLN 42 2HG GLN 42 7.604 6.470 -14.179 239 HG3 GLN 42 3HG GLN 42 6.659 7.956 -14.263 240 HE21 GLN 42 1HE2 GLN 42 5.893 4.642 -13.255 241 HE22 GLN 42 2HE2 GLN 42 5.312 5.071 -11.685 242 H ALA 43 H ALA 43 6.644 4.321 -17.169 243 HA ALA 43 HA ALA 43 9.282 4.588 -18.295 244 HB1 ALA 43 1HB ALA 43 10.244 4.508 -16.239 245 HB2 ALA 43 2HB ALA 43 8.886 3.648 -15.513 246 HB3 ALA 43 3HB ALA 43 10.051 2.775 -16.509 247 H VAL 44 H VAL 44 10.146 2.488 -19.033 248 HA VAL 44 HA VAL 44 8.188 0.329 -19.211 249 HB VAL 44 HB VAL 44 7.731 1.700 -21.184 250 HG11 VAL 44 1HG1 VAL 44 9.430 1.995 -22.924 251 HG12 VAL 44 2HG1 VAL 44 9.908 2.770 -21.412 252 HG13 VAL 44 3HG1 VAL 44 10.628 1.229 -21.881 253 HG21 VAL 44 1HG2 VAL 44 7.562 -0.775 -21.286 254 HG22 VAL 44 2HG2 VAL 44 7.898 -0.031 -22.849 255 HG23 VAL 44 3HG2 VAL 44 9.194 -0.823 -21.953 256 H TRP 45 H TRP 45 9.076 -1.695 -19.579 257 HA TRP 45 HA TRP 45 11.840 -2.035 -20.267 258 HB2 TRP 45 2HB TRP 45 11.180 -1.699 -17.514 259 HB3 TRP 45 3HB TRP 45 11.641 -3.381 -17.761 260 HD1 TRP 45 HD1 TRP 45 14.112 -3.644 -19.162 261 HE1 TRP 45 HE1 TRP 45 16.273 -2.310 -18.746 262 HE3 TRP 45 HE3 TRP 45 12.120 0.390 -16.735 263 HZ2 TRP 45 HZ2 TRP 45 17.033 0.130 -17.547 264 HZ3 TRP 45 HZ3 TRP 45 13.632 2.180 -15.986 265 HH2 TRP 45 HH2 TRP 45 16.038 2.051 -16.384 266 H ARG 46 H ARG 46 12.474 -4.419 -20.010 267 HA ARG 46 HA ARG 46 10.339 -6.332 -19.896 268 HB2 ARG 46 2HB ARG 46 10.619 -7.134 -22.232 269 HB3 ARG 46 3HB ARG 46 9.909 -5.528 -22.128 270 HG2 ARG 46 2HG ARG 46 12.850 -5.704 -22.437 271 HG3 ARG 46 3HG ARG 46 11.849 -6.117 -23.831 272 HD2 ARG 46 2HD ARG 46 11.081 -3.659 -22.407 273 HD3 ARG 46 3HD ARG 46 12.649 -3.605 -23.210 274 HE ARG 46 HE ARG 46 10.755 -4.658 -24.990 275 HH11 ARG 46 1HH1 ARG 46 11.562 -1.663 -23.409 276 HH12 ARG 46 2HH1 ARG 46 10.905 -0.670 -24.668 277 HH21 ARG 46 1HH2 ARG 46 9.887 -3.362 -26.654 278 HH22 ARG 46 2HH2 ARG 46 9.952 -1.638 -26.513 279 H ARG 47 H ARG 47 11.084 -8.386 -19.564 280 HA ARG 47 HA ARG 47 13.906 -8.970 -20.019 281 HB2 ARG 47 2HB ARG 47 14.294 -9.714 -17.752 282 HB3 ARG 47 3HB ARG 47 13.753 -8.041 -17.726 283 HG2 ARG 47 2HG ARG 47 11.479 -9.747 -17.520 284 HG3 ARG 47 3HG ARG 47 12.687 -10.242 -16.332 285 HD2 ARG 47 2HD ARG 47 12.817 -7.614 -15.956 286 HD3 ARG 47 3HD ARG 47 11.164 -7.705 -16.562 287 HE ARG 47 HE ARG 47 11.678 -9.613 -14.497 288 HH11 ARG 47 1HH1 ARG 47 10.890 -6.281 -15.124 289 HH12 ARG 47 2HH1 ARG 47 10.118 -6.039 -13.592 290 HH21 ARG 47 1HH2 ARG 47 10.664 -9.307 -12.477 291 HH22 ARG 47 2HH2 ARG 47 9.990 -7.761 -12.087 292 H TYR 48 H TYR 48 14.411 -11.249 -19.860 293 HA TYR 48 HA TYR 48 12.115 -13.060 -19.820 294 HB2 TYR 48 2HB TYR 48 12.880 -14.159 -21.902 295 HB3 TYR 48 3HB TYR 48 12.376 -12.494 -22.170 296 HD1 TYR 48 HD1 TYR 48 15.111 -14.859 -22.343 297 HD2 TYR 48 HD2 TYR 48 14.099 -10.730 -22.527 298 HE1 TYR 48 HE1 TYR 48 17.278 -14.381 -23.404 299 HE2 TYR 48 HE2 TYR 48 16.263 -10.241 -23.590 300 HH TYR 48 HH TYR 48 18.809 -12.058 -23.495 301 H PHE 49 H PHE 49 12.550 -14.752 -18.582 302 HA PHE 49 HA PHE 49 15.263 -15.257 -17.718 303 HB2 PHE 49 2HB PHE 49 12.624 -15.748 -16.692 304 HB3 PHE 49 3HB PHE 49 13.537 -17.254 -16.709 305 HD1 PHE 49 HD1 PHE 49 14.700 -17.761 -14.807 306 HD2 PHE 49 HD2 PHE 49 14.092 -13.671 -15.814 307 HE1 PHE 49 HE1 PHE 49 15.854 -17.085 -12.741 308 HE2 PHE 49 HE2 PHE 49 15.245 -12.988 -13.750 309 HZ PHE 49 HZ PHE 49 16.128 -14.696 -12.211 310 H ALA 50 H ALA 50 16.593 -16.682 -18.609 311 HA ALA 50 HA ALA 50 15.704 -18.390 -20.742 312 HB1 ALA 50 1HB ALA 50 17.920 -17.177 -20.652 313 HB2 ALA 50 2HB ALA 50 18.433 -18.389 -19.478 314 HB3 ALA 50 3HB ALA 50 17.986 -18.879 -21.112 315 H GLY 51 H GLY 51 16.676 -18.796 -17.384 316 HA2 GLY 51 2HA GLY 51 16.033 -20.547 -15.975 317 HA3 GLY 51 3HA GLY 51 15.484 -21.447 -17.381 318 H LYS 52 H LYS 52 17.888 -21.148 -15.053 319 HA LYS 52 HA LYS 52 19.514 -23.151 -16.446 320 HB2 LYS 52 2HB LYS 52 20.394 -20.627 -16.397 321 HB3 LYS 52 3HB LYS 52 20.960 -21.131 -14.810 322 HG2 LYS 52 2HG LYS 52 22.784 -21.650 -16.069 323 HG3 LYS 52 3HG LYS 52 21.907 -23.179 -16.161 324 HD2 LYS 52 2HD LYS 52 21.694 -22.999 -18.372 325 HD3 LYS 52 3HD LYS 52 21.035 -21.368 -18.231 326 HE2 LYS 52 2HE LYS 52 22.962 -21.034 -19.476 327 HE3 LYS 52 3HE LYS 52 23.493 -20.667 -17.835 328 HZ1 LYS 52 1HZ LYS 52 24.967 -22.163 -19.242 329 HZ2 LYS 52 2HZ LYS 52 23.808 -23.369 -18.991 330 HZ3 LYS 52 3HZ LYS 52 24.617 -22.687 -17.671 331 H LYS 53 H LYS 53 17.691 -23.879 -14.620 332 HA LYS 53 HA LYS 53 19.361 -24.843 -12.440 333 HB2 LYS 53 2HB LYS 53 17.732 -24.236 -10.717 334 HB3 LYS 53 3HB LYS 53 18.354 -22.805 -11.529 335 HG2 LYS 53 2HG LYS 53 15.870 -23.960 -12.627 336 HG3 LYS 53 3HG LYS 53 15.759 -23.207 -11.035 337 HD2 LYS 53 2HD LYS 53 16.430 -21.119 -11.849 338 HD3 LYS 53 3HD LYS 53 17.101 -21.811 -13.328 339 HE2 LYS 53 2HE LYS 53 15.182 -21.328 -14.340 340 HE3 LYS 53 3HE LYS 53 14.401 -22.536 -13.321 341 HZ1 LYS 53 1HZ LYS 53 14.345 -20.569 -11.632 342 HZ2 LYS 53 2HZ LYS 53 13.169 -20.690 -12.841 343 HZ3 LYS 53 3HZ LYS 53 14.464 -19.618 -13.027 344 H ASP 54 H ASP 54 18.013 -26.430 -11.049 345 HA ASP 54 HA ASP 54 16.563 -28.162 -12.918 346 HB2 ASP 54 2HB ASP 54 17.728 -28.820 -10.204 347 HB3 ASP 54 3HB ASP 54 17.022 -29.969 -11.338 348 H ALA 55 H ALA 55 15.372 -25.813 -11.604 349 HA ALA 55 HA ALA 55 13.359 -27.127 -9.904 350 HB1 ALA 55 1HB ALA 55 13.482 -25.370 -8.556 351 HB2 ALA 55 2HB ALA 55 14.797 -24.741 -9.550 352 HB3 ALA 55 3HB ALA 55 13.132 -24.271 -9.891 353 HA PRO 56 HA PRO 56 10.153 -26.512 -12.836 354 HB2 PRO 56 2HB PRO 56 8.058 -25.788 -11.267 355 HB3 PRO 56 3HB PRO 56 8.707 -27.432 -11.305 356 HG2 PRO 56 2HG PRO 56 9.205 -25.244 -9.324 357 HG3 PRO 56 3HG PRO 56 8.909 -26.968 -9.035 358 HD2 PRO 56 2HD PRO 56 11.391 -25.887 -8.979 359 HD3 PRO 56 3HD PRO 56 11.086 -27.552 -9.516 360 HA PRO 57 HA PRO 57 9.656 -22.311 -14.033 361 HB2 PRO 57 2HB PRO 57 7.149 -22.275 -15.075 362 HB3 PRO 57 3HB PRO 57 8.513 -23.061 -15.879 363 HG2 PRO 57 2HG PRO 57 6.345 -24.272 -14.207 364 HG3 PRO 57 3HG PRO 57 7.040 -24.855 -15.731 365 HD2 PRO 57 2HD PRO 57 7.751 -25.869 -13.323 366 HD3 PRO 57 3HD PRO 57 8.882 -25.767 -14.687 367 H GLU 58 H GLU 58 9.676 -21.089 -12.165 368 HA GLU 58 HA GLU 58 7.155 -20.751 -10.710 369 HB2 GLU 58 2HB GLU 58 9.545 -21.173 -9.661 370 HB3 GLU 58 3HB GLU 58 9.696 -19.432 -9.860 371 HG2 GLU 58 2HG GLU 58 8.805 -19.385 -7.805 372 HG3 GLU 58 3HG GLU 58 7.284 -19.558 -8.680 373 H SER 59 H SER 59 9.659 -18.880 -12.377 374 HA SER 59 HA SER 59 8.105 -16.437 -12.135 375 HB2 SER 59 2HB SER 59 10.638 -16.763 -13.737 376 HB3 SER 59 3HB SER 59 9.994 -15.302 -12.988 377 HG SER 59 HG SER 59 11.601 -16.008 -11.662 378 H ARG 60 H ARG 60 7.841 -15.082 -14.153 379 HA ARG 60 HA ARG 60 6.835 -16.801 -16.319 380 HB2 ARG 60 2HB ARG 60 6.024 -13.954 -15.722 381 HB3 ARG 60 3HB ARG 60 5.247 -15.071 -16.835 382 HG2 ARG 60 2HG ARG 60 5.402 -15.500 -13.861 383 HG3 ARG 60 3HG ARG 60 4.040 -14.739 -14.686 384 HD2 ARG 60 2HD ARG 60 3.305 -16.695 -15.566 385 HD3 ARG 60 3HD ARG 60 4.932 -17.350 -15.743 386 HE ARG 60 HE ARG 60 4.562 -17.332 -13.065 387 HH11 ARG 60 1HH1 ARG 60 2.701 -18.581 -15.728 388 HH12 ARG 60 2HH1 ARG 60 2.020 -19.884 -14.811 389 HH21 ARG 60 1HH2 ARG 60 3.674 -19.043 -11.847 390 HH22 ARG 60 2HH2 ARG 60 2.574 -20.146 -12.603 391 H THR 61 H THR 61 8.032 -16.830 -18.092 392 HA THR 61 HA THR 61 9.598 -14.429 -18.780 393 HB THR 61 HB THR 61 11.148 -16.168 -18.323 394 HG1 THR 61 HG1 THR 61 10.826 -16.290 -21.144 395 HG21 THR 61 1HG2 THR 61 9.069 -17.863 -19.418 396 HG22 THR 61 2HG2 THR 61 10.416 -18.278 -18.357 397 HG23 THR 61 3HG2 THR 61 10.648 -18.245 -20.105 398 H LYS 62 H LYS 62 8.476 -13.354 -20.286 399 HA LYS 62 HA LYS 62 7.736 -14.803 -22.723 400 HB2 LYS 62 2HB LYS 62 5.654 -13.277 -22.786 401 HB3 LYS 62 3HB LYS 62 5.621 -14.692 -21.742 402 HG2 LYS 62 2HG LYS 62 6.627 -12.279 -20.436 403 HG3 LYS 62 3HG LYS 62 4.955 -12.161 -20.989 404 HD2 LYS 62 2HD LYS 62 5.712 -14.655 -19.591 405 HD3 LYS 62 3HD LYS 62 5.651 -13.189 -18.610 406 HE2 LYS 62 2HE LYS 62 3.459 -13.581 -18.440 407 HE3 LYS 62 3HE LYS 62 3.352 -13.026 -20.110 408 HZ1 LYS 62 1HZ LYS 62 3.079 -15.118 -20.886 409 HZ2 LYS 62 2HZ LYS 62 2.445 -15.373 -19.339 410 HZ3 LYS 62 3HZ LYS 62 4.036 -15.830 -19.686 411 HA PRO 63 HA PRO 63 9.534 -11.421 -24.865 412 HB2 PRO 63 2HB PRO 63 7.977 -11.274 -27.084 413 HB3 PRO 63 3HB PRO 63 9.137 -12.578 -26.810 414 HG2 PRO 63 2HG PRO 63 6.176 -12.554 -26.374 415 HG3 PRO 63 3HG PRO 63 7.191 -13.819 -27.091 416 HD2 PRO 63 2HD PRO 63 6.312 -13.933 -24.533 417 HD3 PRO 63 3HD PRO 63 7.873 -14.612 -25.037 418 H SER 64 H SER 64 6.214 -11.286 -23.923 419 HA SER 64 HA SER 64 5.400 -8.811 -24.853 420 HB2 SER 64 2HB SER 64 4.700 -9.629 -22.058 421 HB3 SER 64 3HB SER 64 3.671 -8.933 -23.310 422 HG SER 64 HG SER 64 3.281 -11.184 -22.930 423 H VAL 65 H VAL 65 5.386 -6.719 -23.936 424 HA VAL 65 HA VAL 65 7.717 -6.189 -22.222 425 HB VAL 65 HB VAL 65 7.540 -3.845 -23.069 426 HG11 VAL 65 1HG1 VAL 65 9.103 -5.468 -24.045 427 HG12 VAL 65 2HG1 VAL 65 7.863 -5.953 -25.204 428 HG13 VAL 65 3HG1 VAL 65 8.517 -4.315 -25.244 429 HG21 VAL 65 1HG2 VAL 65 5.123 -4.020 -23.683 430 HG22 VAL 65 2HG2 VAL 65 6.145 -3.318 -24.938 431 HG23 VAL 65 3HG2 VAL 65 5.605 -4.991 -25.075 432 H PHE 66 H PHE 66 7.558 -4.773 -20.468 433 HA PHE 66 HA PHE 66 4.824 -4.443 -19.440 434 HB2 PHE 66 2HB PHE 66 7.377 -4.308 -17.835 435 HB3 PHE 66 3HB PHE 66 5.733 -4.491 -17.233 436 HD1 PHE 66 HD1 PHE 66 8.682 -6.177 -17.729 437 HD2 PHE 66 HD2 PHE 66 4.499 -6.627 -18.376 438 HE1 PHE 66 HE1 PHE 66 8.952 -8.622 -17.755 439 HE2 PHE 66 HE2 PHE 66 4.763 -9.073 -18.402 440 HZ PHE 66 HZ PHE 66 6.991 -10.074 -18.091 441 H VAL 67 H VAL 67 4.007 -2.472 -19.094 442 HA VAL 67 HA VAL 67 5.844 -0.170 -19.128 443 HB VAL 67 HB VAL 67 4.155 1.126 -20.366 444 HG11 VAL 67 1HG1 VAL 67 5.487 -1.266 -21.498 445 HG12 VAL 67 2HG1 VAL 67 4.319 -0.431 -22.524 446 HG13 VAL 67 3HG1 VAL 67 5.708 0.442 -21.876 447 HG21 VAL 67 1HG2 VAL 67 2.359 -0.204 -21.554 448 HG22 VAL 67 2HG2 VAL 67 2.703 -1.509 -20.419 449 HG23 VAL 67 3HG2 VAL 67 2.122 0.046 -19.824 450 H VAL 68 H VAL 68 5.404 1.468 -17.716 451 HA VAL 68 HA VAL 68 3.053 1.118 -15.971 452 HB VAL 68 HB VAL 68 5.728 2.218 -15.104 453 HG11 VAL 68 1HG1 VAL 68 3.086 2.070 -13.896 454 HG12 VAL 68 2HG1 VAL 68 4.341 1.346 -12.889 455 HG13 VAL 68 3HG1 VAL 68 4.494 3.020 -13.424 456 HG21 VAL 68 1HG2 VAL 68 6.071 -0.090 -15.581 457 HG22 VAL 68 2HG2 VAL 68 5.911 0.062 -13.831 458 HG23 VAL 68 3HG2 VAL 68 4.560 -0.541 -14.791 459 H PHE 69 H PHE 69 1.666 2.733 -16.187 460 HA PHE 69 HA PHE 69 2.483 5.252 -17.344 461 HB2 PHE 69 2HB PHE 69 -0.207 4.251 -16.394 462 HB3 PHE 69 3HB PHE 69 0.053 5.812 -17.165 463 HD1 PHE 69 HD1 PHE 69 0.098 6.007 -19.492 464 HD2 PHE 69 HD2 PHE 69 0.354 2.158 -17.693 465 HE1 PHE 69 HE1 PHE 69 -0.169 4.959 -21.703 466 HE2 PHE 69 HE2 PHE 69 0.088 1.104 -19.900 467 HZ PHE 69 HZ PHE 69 -0.173 2.505 -21.909 468 H ASN 70 H ASN 70 2.296 7.286 -16.367 469 HA ASN 70 HA ASN 70 2.751 7.256 -13.504 470 HB2 ASN 70 2HB ASN 70 4.254 8.647 -14.695 471 HB3 ASN 70 3HB ASN 70 2.955 9.390 -15.623 472 HD21 ASN 70 1HD2 ASN 70 4.831 9.498 -12.783 473 HD22 ASN 70 2HD2 ASN 70 4.084 10.880 -12.064 474 H SER 71 H SER 71 0.463 8.729 -15.782 475 HA SER 71 HA SER 71 -1.124 9.887 -13.682 476 HB2 SER 71 2HB SER 71 -1.572 9.601 -16.658 477 HB3 SER 71 3HB SER 71 -2.711 10.404 -15.578 478 HG SER 71 HG SER 71 -0.680 11.643 -14.948 479 H SER 72 H SER 72 -2.787 9.007 -12.631 480 HA SER 72 HA SER 72 -3.362 6.269 -12.787 481 HB2 SER 72 2HB SER 72 -5.242 6.768 -11.268 482 HB3 SER 72 3HB SER 72 -3.764 7.584 -10.758 483 HG SER 72 HG SER 72 -6.143 8.637 -11.689 484 H GLU 73 H GLU 73 -5.248 9.068 -13.918 485 HA GLU 73 HA GLU 73 -7.414 7.682 -14.976 486 HB2 GLU 73 2HB GLU 73 -7.245 10.163 -14.681 487 HB3 GLU 73 3HB GLU 73 -6.213 10.214 -16.104 488 HG2 GLU 73 2HG GLU 73 -7.979 10.283 -17.426 489 HG3 GLU 73 3HG GLU 73 -8.593 8.780 -16.739 490 H GLU 74 H GLU 74 -4.584 8.919 -16.766 491 HA GLU 74 HA GLU 74 -5.189 7.704 -19.204 492 HB2 GLU 74 2HB GLU 74 -3.245 9.398 -18.334 493 HB3 GLU 74 3HB GLU 74 -2.322 7.917 -18.550 494 HG2 GLU 74 2HG GLU 74 -2.107 8.625 -20.656 495 HG3 GLU 74 3HG GLU 74 -3.733 7.976 -20.857 496 H ALA 75 H ALA 75 -3.555 6.464 -16.364 497 HA ALA 75 HA ALA 75 -2.415 4.157 -17.485 498 HB1 ALA 75 1HB ALA 75 -3.394 4.664 -14.679 499 HB2 ALA 75 2HB ALA 75 -2.410 3.284 -15.167 500 HB3 ALA 75 3HB ALA 75 -1.761 4.919 -15.296 501 H GLU 76 H GLU 76 -5.526 4.571 -15.792 502 HA GLU 76 HA GLU 76 -6.397 1.914 -16.166 503 HB2 GLU 76 2HB GLU 76 -7.502 4.402 -15.139 504 HB3 GLU 76 3HB GLU 76 -8.703 3.459 -16.010 505 HG2 GLU 76 2HG GLU 76 -7.200 1.742 -14.286 506 HG3 GLU 76 3HG GLU 76 -7.817 3.117 -13.372 507 H ALA 77 H ALA 77 -6.816 4.851 -18.073 508 HA ALA 77 HA ALA 77 -8.711 3.910 -19.902 509 HB1 ALA 77 1HB ALA 77 -6.512 5.834 -20.607 510 HB2 ALA 77 2HB ALA 77 -8.152 5.758 -21.251 511 HB3 ALA 77 3HB ALA 77 -7.881 6.287 -19.591 512 H PHE 78 H PHE 78 -5.156 3.919 -20.129 513 HA PHE 78 HA PHE 78 -5.048 2.596 -22.625 514 HB2 PHE 78 2HB PHE 78 -3.126 3.357 -20.514 515 HB3 PHE 78 3HB PHE 78 -2.649 1.988 -21.512 516 HD1 PHE 78 HD1 PHE 78 -1.758 2.319 -23.640 517 HD2 PHE 78 HD2 PHE 78 -3.763 5.520 -21.678 518 HE1 PHE 78 HE1 PHE 78 -1.006 3.864 -25.401 519 HE2 PHE 78 HE2 PHE 78 -3.014 7.070 -23.436 520 HZ PHE 78 HZ PHE 78 -1.635 6.243 -25.301 521 H GLN 79 H GLN 79 -5.044 1.455 -19.296 522 HA GLN 79 HA GLN 79 -4.338 -1.213 -19.761 523 HB2 GLN 79 2HB GLN 79 -4.854 0.239 -17.545 524 HB3 GLN 79 3HB GLN 79 -6.342 -0.693 -17.646 525 HG2 GLN 79 2HG GLN 79 -5.029 -2.762 -17.685 526 HG3 GLN 79 3HG GLN 79 -3.550 -1.813 -17.540 527 HE21 GLN 79 1HE2 GLN 79 -3.313 -0.494 -15.611 528 HE22 GLN 79 2HE2 GLN 79 -4.009 -1.042 -14.127 529 H LYS 80 H LYS 80 -7.517 0.356 -19.711 530 HA LYS 80 HA LYS 80 -9.105 -1.908 -20.043 531 HB2 LYS 80 2HB LYS 80 -9.956 0.363 -19.514 532 HB3 LYS 80 3HB LYS 80 -9.608 0.855 -21.166 533 HG2 LYS 80 2HG LYS 80 -11.187 -0.890 -21.959 534 HG3 LYS 80 3HG LYS 80 -11.605 -1.214 -20.275 535 HD2 LYS 80 2HD LYS 80 -13.139 0.392 -20.430 536 HD3 LYS 80 3HD LYS 80 -11.819 1.557 -20.566 537 HE2 LYS 80 2HE LYS 80 -11.899 1.518 -22.924 538 HE3 LYS 80 3HE LYS 80 -12.905 0.071 -22.943 539 HZ1 LYS 80 1HZ LYS 80 -14.574 1.564 -21.694 540 HZ2 LYS 80 2HZ LYS 80 -14.411 1.741 -23.368 541 HZ3 LYS 80 3HZ LYS 80 -13.668 2.846 -22.325 542 H ALA 81 H ALA 81 -8.327 0.406 -22.644 543 HA ALA 81 HA ALA 81 -8.179 -1.878 -24.500 544 HB1 ALA 81 1HB ALA 81 -8.955 0.264 -26.059 545 HB2 ALA 81 2HB ALA 81 -9.991 -1.048 -25.497 546 HB3 ALA 81 3HB ALA 81 -9.901 0.458 -24.583 547 HA PRO 82 HA PRO 82 -4.305 -0.373 -25.907 548 HB2 PRO 82 2HB PRO 82 -4.423 -0.860 -28.575 549 HB3 PRO 82 3HB PRO 82 -4.256 -2.143 -27.371 550 HG2 PRO 82 2HG PRO 82 -6.709 -1.195 -28.803 551 HG3 PRO 82 3HG PRO 82 -6.185 -2.854 -28.457 552 HD2 PRO 82 2HD PRO 82 -8.069 -1.584 -26.984 553 HD3 PRO 82 3HD PRO 82 -6.957 -2.780 -26.287 554 HA PRO 83 HA PRO 83 -4.485 3.731 -27.474 555 HB2 PRO 83 2HB PRO 83 -2.226 3.903 -28.970 556 HB3 PRO 83 3HB PRO 83 -2.206 3.843 -27.204 557 HG2 PRO 83 2HG PRO 83 -1.732 1.644 -29.180 558 HG3 PRO 83 3HG PRO 83 -0.850 2.017 -27.687 559 HD2 PRO 83 2HD PRO 83 -2.710 0.054 -27.829 560 HD3 PRO 83 3HD PRO 83 -2.427 0.997 -26.351 561 H MET 84 H MET 84 -3.922 1.209 -29.879 562 HA MET 84 HA MET 84 -4.642 0.943 -32.019 563 HB2 MET 84 2HB MET 84 -6.724 2.400 -30.668 564 HB3 MET 84 3HB MET 84 -6.623 2.924 -32.344 565 HG2 MET 84 2HG MET 84 -6.453 0.102 -32.323 566 HG3 MET 84 3HG MET 84 -7.791 0.568 -31.276 567 HE1 MET 84 1HE MET 84 -9.167 -0.882 -34.212 568 HE2 MET 84 2HE MET 84 -7.917 -0.355 -35.339 569 HE3 MET 84 3HE MET 84 -7.465 -1.072 -33.792 570 H TYR 85 H TYR 85 -2.820 1.644 -33.086 571 HA TYR 85 HA TYR 85 -2.867 4.443 -34.009 572 HB2 TYR 85 2HB TYR 85 -0.842 3.135 -32.592 573 HB3 TYR 85 3HB TYR 85 -0.270 3.179 -34.256 574 HD1 TYR 85 HD1 TYR 85 0.329 4.757 -31.423 575 HD2 TYR 85 HD2 TYR 85 -1.267 5.722 -35.247 576 HE1 TYR 85 HE1 TYR 85 1.022 7.096 -31.115 577 HE2 TYR 85 HE2 TYR 85 -0.578 8.064 -34.950 578 HH TYR 85 HH TYR 85 0.020 9.609 -33.283 579 H ASP 86 H ASP 86 -3.081 4.735 -36.125 580 HA ASP 86 HA ASP 86 -3.571 2.697 -37.938 581 HB2 ASP 86 2HB ASP 86 -3.617 5.475 -37.993 582 HB3 ASP 86 3HB ASP 86 -2.428 5.049 -39.220 583 H ASP 87 H ASP 87 -0.560 4.471 -37.342 584 HA ASP 87 HA ASP 87 1.013 3.431 -39.362 585 HB2 ASP 87 2HB ASP 87 1.430 5.000 -37.090 586 HB3 ASP 87 3HB ASP 87 2.500 3.617 -36.877 587 H VAL 88 H VAL 88 0.922 2.210 -36.008 588 HA VAL 88 HA VAL 88 1.391 -0.493 -37.073 589 HB VAL 88 HB VAL 88 2.691 0.594 -34.574 590 HG11 VAL 88 1HG1 VAL 88 2.227 -1.824 -34.567 591 HG12 VAL 88 2HG1 VAL 88 3.143 -1.989 -36.066 592 HG13 VAL 88 3HG1 VAL 88 3.955 -1.474 -34.588 593 HG21 VAL 88 1HG2 VAL 88 4.729 0.010 -36.280 594 HG22 VAL 88 2HG2 VAL 88 3.519 0.660 -37.387 595 HG23 VAL 88 3HG2 VAL 88 4.070 1.625 -36.018 596 H GLN 89 H GLN 89 0.049 -2.000 -36.303 597 HA GLN 89 HA GLN 89 -2.108 -1.306 -34.614 598 HB2 GLN 89 2HB GLN 89 -1.473 -3.422 -36.331 599 HB3 GLN 89 3HB GLN 89 -1.650 -4.162 -34.746 600 HG2 GLN 89 2HG GLN 89 -3.862 -3.058 -34.539 601 HG3 GLN 89 3HG GLN 89 -3.682 -2.485 -36.196 602 HE21 GLN 89 1HE2 GLN 89 -5.841 -3.895 -35.787 603 HE22 GLN 89 2HE2 GLN 89 -5.704 -5.504 -36.402 604 H LEU 90 H LEU 90 -2.134 -1.123 -32.482 605 HA LEU 90 HA LEU 90 -0.025 -2.427 -30.917 606 HB2 LEU 90 2HB LEU 90 -1.344 0.116 -30.796 607 HB3 LEU 90 3HB LEU 90 -1.564 -0.742 -29.272 608 HG LEU 90 HG LEU 90 0.354 0.695 -29.104 609 HD11 LEU 90 1HD1 LEU 90 1.897 -0.831 -28.259 610 HD12 LEU 90 2HD1 LEU 90 1.503 -2.049 -29.472 611 HD13 LEU 90 3HD1 LEU 90 0.363 -1.697 -28.173 612 HD21 LEU 90 1HD2 LEU 90 1.377 -0.743 -31.550 613 HD22 LEU 90 2HD2 LEU 90 2.313 0.384 -30.569 614 HD23 LEU 90 3HD2 LEU 90 0.892 0.949 -31.448 615 H THR 91 H THR 91 -0.450 -3.910 -29.369 616 HA THR 91 HA THR 91 -3.273 -4.537 -28.812 617 HB THR 91 HB THR 91 -1.326 -6.779 -28.774 618 HG1 THR 91 HG1 THR 91 -2.058 -5.352 -31.077 619 HG21 THR 91 1HG2 THR 91 -3.475 -7.447 -28.211 620 HG22 THR 91 2HG2 THR 91 -3.412 -7.819 -29.934 621 HG23 THR 91 3HG2 THR 91 -4.229 -6.359 -29.376 622 H ALA 92 H ALA 92 -3.496 -3.837 -26.766 623 HA ALA 92 HA ALA 92 -1.456 -4.633 -24.797 624 HB1 ALA 92 1HB ALA 92 -1.672 -2.649 -23.783 625 HB2 ALA 92 2HB ALA 92 -2.432 -2.132 -25.288 626 HB3 ALA 92 3HB ALA 92 -3.430 -2.657 -23.932 627 H GLU 93 H GLU 93 -2.047 -5.688 -22.928 628 HA GLU 93 HA GLU 93 -4.801 -6.728 -22.884 629 HB2 GLU 93 2HB GLU 93 -2.161 -7.959 -22.339 630 HB3 GLU 93 3HB GLU 93 -3.481 -8.449 -21.286 631 HG2 GLU 93 2HG GLU 93 -3.611 -8.559 -24.287 632 HG3 GLU 93 3HG GLU 93 -3.114 -9.911 -23.271 633 H MET 94 H MET 94 -5.547 -7.376 -20.642 634 HA MET 94 HA MET 94 -4.935 -5.171 -18.804 635 HB2 MET 94 2HB MET 94 -7.349 -6.109 -19.707 636 HB3 MET 94 3HB MET 94 -7.207 -6.909 -18.148 637 HG2 MET 94 2HG MET 94 -7.138 -4.889 -16.983 638 HG3 MET 94 3HG MET 94 -6.762 -3.963 -18.434 639 HE1 MET 94 1HE MET 94 -8.754 -4.170 -15.941 640 HE2 MET 94 2HE MET 94 -10.177 -3.299 -16.511 641 HE3 MET 94 3HE MET 94 -10.245 -5.047 -16.286 642 H LYS 95 H LYS 95 -4.627 -5.564 -16.571 643 HA LYS 95 HA LYS 95 -2.962 -7.736 -15.963 644 HB2 LYS 95 2HB LYS 95 -3.204 -6.989 -13.602 645 HB3 LYS 95 3HB LYS 95 -2.799 -5.683 -14.709 646 HG2 LYS 95 2HG LYS 95 -5.266 -5.145 -14.774 647 HG3 LYS 95 3HG LYS 95 -5.451 -6.267 -13.424 648 HD2 LYS 95 2HD LYS 95 -3.575 -4.871 -12.317 649 HD3 LYS 95 3HD LYS 95 -3.990 -3.651 -13.524 650 HE2 LYS 95 2HE LYS 95 -5.724 -3.003 -12.299 651 HE3 LYS 95 3HE LYS 95 -6.396 -4.632 -12.357 652 HZ1 LYS 95 1HZ LYS 95 -5.619 -3.404 -10.112 653 HZ2 LYS 95 2HZ LYS 95 -4.217 -4.273 -10.487 654 HZ3 LYS 95 3HZ LYS 95 -5.689 -5.084 -10.293 655 H THR 96 H THR 96 -6.399 -7.193 -15.359 656 HA THR 96 HA THR 96 -6.879 -9.417 -13.726 657 HB THR 96 HB THR 96 -8.988 -8.586 -15.660 658 HG1 THR 96 HG1 THR 96 -8.589 -6.551 -15.210 659 HG21 THR 96 1HG2 THR 96 -9.172 -10.189 -13.617 660 HG22 THR 96 2HG2 THR 96 -10.441 -8.996 -13.898 661 HG23 THR 96 3HG2 THR 96 -9.205 -8.699 -12.676 662 H THR 97 H THR 97 -7.123 -9.063 -17.254 663 HA THR 97 HA THR 97 -8.053 -11.617 -17.856 664 HB THR 97 HB THR 97 -6.071 -10.341 -19.690 665 HG1 THR 97 HG1 THR 97 -7.468 -8.705 -20.190 666 HG21 THR 97 1HG2 THR 97 -7.092 -11.634 -21.192 667 HG22 THR 97 2HG2 THR 97 -8.665 -10.953 -20.776 668 HG23 THR 97 3HG2 THR 97 -8.036 -12.335 -19.879 669 H TYR 98 H TYR 98 -4.673 -10.470 -17.967 670 HA TYR 98 HA TYR 98 -3.456 -12.891 -18.518 671 HB2 TYR 98 2HB TYR 98 -2.625 -10.298 -17.470 672 HB3 TYR 98 3HB TYR 98 -1.655 -11.622 -16.835 673 HD1 TYR 98 HD1 TYR 98 -1.602 -9.230 -19.230 674 HD2 TYR 98 HD2 TYR 98 -1.220 -13.455 -18.909 675 HE1 TYR 98 HE1 TYR 98 -0.297 -9.265 -21.315 676 HE2 TYR 98 HE2 TYR 98 0.087 -13.501 -20.992 677 HH TYR 98 HH TYR 98 0.157 -11.746 -23.158 678 H LEU 99 H LEU 99 -4.165 -11.465 -15.339 679 HA LEU 99 HA LEU 99 -3.056 -13.423 -13.725 680 HB2 LEU 99 2HB LEU 99 -3.938 -11.281 -12.915 681 HB3 LEU 99 3HB LEU 99 -5.578 -11.847 -13.228 682 HG LEU 99 HG LEU 99 -4.137 -13.651 -11.476 683 HD11 LEU 99 1HD1 LEU 99 -4.699 -11.020 -10.197 684 HD12 LEU 99 2HD1 LEU 99 -3.157 -11.266 -11.017 685 HD13 LEU 99 3HD1 LEU 99 -3.623 -12.320 -9.682 686 HD21 LEU 99 1HD2 LEU 99 -6.635 -12.007 -11.082 687 HD22 LEU 99 2HD2 LEU 99 -6.139 -13.413 -10.139 688 HD23 LEU 99 3HD2 LEU 99 -6.575 -13.600 -11.838 689 H GLU 100 H GLU 100 -6.300 -13.288 -15.150 690 HA GLU 100 HA GLU 100 -7.281 -15.642 -13.951 691 HB2 GLU 100 2HB GLU 100 -8.442 -13.704 -15.369 692 HB3 GLU 100 3HB GLU 100 -8.234 -14.876 -16.663 693 HG2 GLU 100 2HG GLU 100 -9.314 -16.140 -14.317 694 HG3 GLU 100 3HG GLU 100 -10.297 -14.757 -14.795 695 H ARG 101 H ARG 101 -5.548 -15.054 -16.966 696 HA ARG 101 HA ARG 101 -5.817 -17.611 -18.087 697 HB2 ARG 101 2HB ARG 101 -3.646 -15.534 -18.384 698 HB3 ARG 101 3HB ARG 101 -3.716 -17.005 -19.344 699 HG2 ARG 101 2HG ARG 101 -5.809 -14.841 -19.271 700 HG3 ARG 101 3HG ARG 101 -4.635 -15.113 -20.560 701 HD2 ARG 101 2HD ARG 101 -5.645 -17.490 -20.657 702 HD3 ARG 101 3HD ARG 101 -6.993 -16.782 -19.767 703 HE ARG 101 HE ARG 101 -6.602 -15.108 -21.895 704 HH11 ARG 101 1HH1 ARG 101 -7.241 -18.507 -21.497 705 HH12 ARG 101 2HH1 ARG 101 -8.097 -18.654 -22.996 706 HH21 ARG 101 1HH2 ARG 101 -7.727 -15.289 -23.870 707 HH22 ARG 101 2HH2 ARG 101 -8.372 -16.823 -24.346 708 H LYS 102 H LYS 102 -3.026 -16.257 -16.322 709 HA LYS 102 HA LYS 102 -1.555 -18.614 -16.145 710 HB2 LYS 102 2HB LYS 102 -0.402 -17.530 -14.231 711 HB3 LYS 102 3HB LYS 102 -0.548 -16.480 -15.634 712 HG2 LYS 102 2HG LYS 102 -2.524 -15.421 -14.558 713 HG3 LYS 102 3HG LYS 102 -2.199 -16.390 -13.119 714 HD2 LYS 102 2HD LYS 102 -0.284 -14.422 -14.373 715 HD3 LYS 102 3HD LYS 102 -1.271 -14.119 -12.940 716 HE2 LYS 102 2HE LYS 102 -0.141 -15.964 -11.785 717 HE3 LYS 102 3HE LYS 102 0.849 -16.249 -13.215 718 HZ1 LYS 102 1HZ LYS 102 2.261 -14.720 -12.509 719 HZ2 LYS 102 2HZ LYS 102 1.327 -14.468 -11.122 720 HZ3 LYS 102 3HZ LYS 102 1.046 -13.542 -12.510 721 H ALA 103 H ALA 103 -4.010 -17.298 -13.962 722 HA ALA 103 HA ALA 103 -3.765 -19.148 -11.887 723 HB1 ALA 103 1HB ALA 103 -5.147 -17.003 -11.971 724 HB2 ALA 103 2HB ALA 103 -6.399 -17.984 -12.734 725 HB3 ALA 103 3HB ALA 103 -5.837 -18.380 -11.110 726 H GLU 104 H GLU 104 -5.723 -19.275 -14.842 727 HA GLU 104 HA GLU 104 -6.996 -21.733 -14.230 728 HB2 GLU 104 2HB GLU 104 -7.493 -19.860 -16.053 729 HB3 GLU 104 3HB GLU 104 -6.541 -20.938 -17.065 730 HG2 GLU 104 2HG GLU 104 -8.073 -22.774 -16.534 731 HG3 GLU 104 3HG GLU 104 -9.037 -21.673 -15.553 732 H GLU 105 H GLU 105 -4.019 -20.890 -15.901 733 HA GLU 105 HA GLU 105 -3.462 -23.399 -17.033 734 HB2 GLU 105 2HB GLU 105 -2.309 -21.198 -17.528 735 HB3 GLU 105 3HB GLU 105 -1.401 -21.430 -16.041 736 HG2 GLU 105 2HG GLU 105 -0.480 -23.510 -16.920 737 HG3 GLU 105 3HG GLU 105 -1.396 -23.288 -18.409 738 H ILE 106 H ILE 106 -2.116 -21.957 -14.058 739 HA ILE 106 HA ILE 106 -0.813 -24.284 -13.180 740 HB ILE 106 HB ILE 106 -0.251 -22.094 -12.277 741 HG12 ILE 106 2HG1 ILE 106 -1.129 -23.157 -9.745 742 HG13 ILE 106 3HG1 ILE 106 -0.592 -24.464 -10.794 743 HG21 ILE 106 1HG2 ILE 106 -1.675 -20.814 -10.905 744 HG22 ILE 106 2HG2 ILE 106 -2.659 -21.302 -12.284 745 HG23 ILE 106 3HG2 ILE 106 -2.832 -22.134 -10.739 746 HD11 ILE 106 1HD1 ILE 106 1.056 -22.006 -10.305 747 HD12 ILE 106 2HD1 ILE 106 1.146 -23.442 -9.284 748 HD13 ILE 106 3HD1 ILE 106 1.564 -23.547 -10.994 749 H ALA 107 H ALA 107 -4.084 -23.099 -12.680 750 HA ALA 107 HA ALA 107 -4.877 -24.815 -10.620 751 HB1 ALA 107 1HB ALA 107 -6.319 -23.036 -11.098 752 HB2 ALA 107 2HB ALA 107 -6.397 -23.442 -12.813 753 HB3 ALA 107 3HB ALA 107 -7.201 -24.469 -11.627 754 H ALA 108 H ALA 108 -4.801 -25.284 -14.118 755 HA ALA 108 HA ALA 108 -6.182 -27.745 -14.173 756 HB1 ALA 108 1HB ALA 108 -6.078 -26.826 -16.259 757 HB2 ALA 108 2HB ALA 108 -4.417 -26.268 -16.054 758 HB3 ALA 108 3HB ALA 108 -4.742 -27.972 -16.373 759 H LYS 109 H LYS 109 -2.739 -26.950 -13.933 760 HA LYS 109 HA LYS 109 -1.832 -29.643 -14.008 761 HB2 LYS 109 2HB LYS 109 -0.492 -27.161 -12.918 762 HB3 LYS 109 3HB LYS 109 0.307 -28.705 -13.185 763 HG2 LYS 109 2HG LYS 109 -0.891 -28.119 -15.619 764 HG3 LYS 109 3HG LYS 109 -0.260 -26.573 -15.046 765 HD2 LYS 109 2HD LYS 109 1.532 -27.481 -16.224 766 HD3 LYS 109 3HD LYS 109 1.901 -27.892 -14.547 767 HE2 LYS 109 2HE LYS 109 0.577 -30.082 -15.127 768 HE3 LYS 109 3HE LYS 109 0.992 -29.646 -16.783 769 HZ1 LYS 109 1HZ LYS 109 2.946 -30.598 -16.424 770 HZ2 LYS 109 2HZ LYS 109 2.628 -30.803 -14.775 771 HZ3 LYS 109 3HZ LYS 109 3.315 -29.360 -15.331 772 H LYS 110 H LYS 110 -2.210 -27.328 -11.325 773 HA LYS 110 HA LYS 110 -1.728 -29.385 -9.357 774 HB2 LYS 110 2HB LYS 110 -1.655 -26.557 -9.412 775 HB3 LYS 110 3HB LYS 110 -2.873 -27.007 -8.226 776 HG2 LYS 110 2HG LYS 110 -1.355 -28.008 -6.839 777 HG3 LYS 110 3HG LYS 110 -0.235 -28.380 -8.152 778 HD2 LYS 110 2HD LYS 110 -0.125 -25.720 -8.268 779 HD3 LYS 110 3HD LYS 110 -0.555 -25.893 -6.565 780 HE2 LYS 110 2HE LYS 110 1.828 -27.074 -7.983 781 HE3 LYS 110 3HE LYS 110 1.836 -25.819 -6.745 782 HZ1 LYS 110 1HZ LYS 110 1.491 -28.705 -6.465 783 HZ2 LYS 110 2HZ LYS 110 0.615 -27.719 -5.406 784 HZ3 LYS 110 3HZ LYS 110 2.302 -27.610 -5.462
Contact the webmaster for help, if required. Monday, April 29, 2024 4:45:17 AM GMT (wattos1)