NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25898 | 2kcx | 16099 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 7.442 4.763 9.356 2 H2 SER 1 2H SER 1 6.827 5.656 8.061 3 H3 SER 1 3H SER 1 8.226 6.176 8.855 4 HA SER 1 HA SER 1 8.010 3.630 7.357 5 HB2 SER 1 2HB SER 1 9.498 4.827 5.682 6 HB3 SER 1 1HB SER 1 7.829 5.390 5.742 7 HG SER 1 HG SER 1 9.764 6.962 5.827 8 H ASP 2 H ASP 2 9.083 2.577 9.122 9 HA ASP 2 HA ASP 2 11.819 3.522 9.678 10 HB2 ASP 2 2HB ASP 2 10.043 1.772 11.396 11 HB3 ASP 2 1HB ASP 2 11.641 2.375 11.828 12 H SER 3 H SER 3 13.231 1.657 10.547 13 HA SER 3 HA SER 3 12.807 -0.885 9.150 14 HB2 SER 3 2HB SER 3 15.338 0.768 8.895 15 HB3 SER 3 1HB SER 3 15.176 -0.906 8.365 16 HG SER 3 HG SER 3 13.209 0.768 7.400 17 H CYS 4 H CYS 4 13.826 -2.660 10.121 18 HA CYS 4 HA CYS 4 14.654 -2.164 12.891 19 HB2 CYS 4 2HB CYS 4 13.641 -4.681 11.584 20 HB3 CYS 4 1HB CYS 4 14.141 -4.561 13.269 21 H ASP 5 H ASP 5 16.182 -3.920 13.781 22 HA ASP 5 HA ASP 5 18.720 -3.575 12.767 23 HB2 ASP 5 2HB ASP 5 18.089 -4.415 15.050 24 HB3 ASP 5 1HB ASP 5 17.772 -5.990 14.334 25 H GLY 6 H GLY 6 19.497 -4.150 10.827 26 HA2 GLY 6 2HA GLY 6 20.155 -5.479 9.064 27 HA3 GLY 6 1HA GLY 6 19.573 -6.871 9.958 28 H VAL 7 H VAL 7 17.054 -4.711 9.727 29 HA VAL 7 HA VAL 7 15.891 -6.189 7.450 30 HB VAL 7 HB VAL 7 14.300 -4.576 9.442 31 HG11 VAL 7 1HG1 VAL 7 13.593 -6.951 7.715 32 HG12 VAL 7 2HG1 VAL 7 13.165 -5.270 7.401 33 HG13 VAL 7 3HG1 VAL 7 12.494 -6.101 8.804 34 HG21 VAL 7 3HG2 VAL 7 15.552 -6.059 10.839 35 HG22 VAL 7 1HG2 VAL 7 15.223 -7.433 9.776 36 HG23 VAL 7 2HG2 VAL 7 13.913 -6.693 10.698 37 H GLU 8 H GLU 8 15.636 -5.076 5.584 38 HA GLU 8 HA GLU 8 15.708 -2.160 5.604 39 HB2 GLU 8 2HB GLU 8 15.841 -2.360 3.136 40 HB3 GLU 8 1HB GLU 8 17.111 -3.247 3.966 41 HG2 GLU 8 2HG GLU 8 15.852 -5.329 3.639 42 HG3 GLU 8 1HG GLU 8 14.610 -4.429 2.769 43 H CYS 9 H CYS 9 13.865 -1.114 5.943 44 HA CYS 9 HA CYS 9 11.437 -1.945 4.493 45 HB2 CYS 9 2HB CYS 9 11.437 -1.121 7.409 46 HB3 CYS 9 1HB CYS 9 10.038 -1.599 6.453 47 H GLY 10 H GLY 10 9.656 -0.091 5.005 48 HA2 GLY 10 2HA GLY 10 9.728 2.413 5.499 49 HA3 GLY 10 1HA GLY 10 11.015 2.444 4.305 50 HA PRO 11 HA PRO 11 8.014 3.277 1.149 51 HB2 PRO 11 2HB PRO 11 9.598 1.508 -0.640 52 HB3 PRO 11 1HB PRO 11 9.175 3.214 -0.830 53 HG2 PRO 11 2HG PRO 11 11.661 2.490 -0.183 54 HG3 PRO 11 1HG PRO 11 10.917 3.933 0.533 55 HD2 PRO 11 2HD PRO 11 11.294 1.203 1.730 56 HD3 PRO 11 1HD PRO 11 11.522 2.801 2.475 57 H GLY 12 H GLY 12 6.305 2.050 2.133 58 HA2 GLY 12 2HA GLY 12 4.509 0.628 1.734 59 HA3 GLY 12 1HA GLY 12 5.455 -0.196 0.507 60 H LYS 13 H LYS 13 7.094 0.139 3.483 61 HA LYS 13 HA LYS 13 6.167 -2.466 4.478 62 HB2 LYS 13 2HB LYS 13 9.014 -1.816 3.721 63 HB3 LYS 13 1HB LYS 13 8.620 -3.100 4.853 64 HG2 LYS 13 2HG LYS 13 7.289 -4.210 3.101 65 HG3 LYS 13 1HG LYS 13 7.755 -2.940 1.971 66 HD2 LYS 13 2HD LYS 13 9.652 -4.823 3.390 67 HD3 LYS 13 1HD LYS 13 9.153 -4.946 1.703 68 HE2 LYS 13 2HE LYS 13 10.214 -2.820 1.200 69 HE3 LYS 13 1HE LYS 13 10.624 -2.592 2.899 70 HZ1 LYS 13 3HZ LYS 13 12.028 -4.579 2.759 71 HZ2 LYS 13 1HZ LYS 13 12.527 -3.372 1.682 72 HZ3 LYS 13 2HZ LYS 13 11.675 -4.718 1.112 73 H ALA 14 H ALA 14 6.085 -2.617 6.632 74 HA ALA 14 HA ALA 14 7.736 -0.802 8.282 75 HB1 ALA 14 3HB ALA 14 4.891 -1.643 8.872 76 HB2 ALA 14 1HB ALA 14 5.403 -0.041 8.347 77 HB3 ALA 14 2HB ALA 14 5.916 -0.659 9.918 78 H CYS 15 H CYS 15 8.561 -1.724 10.231 79 HA CYS 15 HA CYS 15 8.397 -4.682 10.289 80 HB2 CYS 15 2HB CYS 15 10.740 -4.829 10.745 81 HB3 CYS 15 1HB CYS 15 10.547 -3.794 9.335 82 H ARG 16 H ARG 16 8.302 -5.693 12.236 83 HA ARG 16 HA ARG 16 8.914 -4.205 14.677 84 HB2 ARG 16 2HB ARG 16 6.456 -3.971 14.313 85 HB3 ARG 16 1HB ARG 16 6.310 -5.724 14.347 86 HG2 ARG 16 2HG ARG 16 6.954 -5.813 16.644 87 HG3 ARG 16 1HG ARG 16 7.427 -4.113 16.639 88 HD2 ARG 16 2HD ARG 16 5.288 -4.396 17.746 89 HD3 ARG 16 1HD ARG 16 5.090 -3.469 16.261 90 HE ARG 16 HE ARG 16 4.480 -6.350 16.368 91 HH11 ARG 16 1HH1 ARG 16 3.598 -3.108 15.600 92 HH12 ARG 16 2HH1 ARG 16 2.059 -3.561 14.956 93 HH21 ARG 16 1HH2 ARG 16 2.507 -6.919 15.530 94 HH22 ARG 16 2HH2 ARG 16 1.455 -5.701 14.901 95 H MET 17 H MET 17 9.520 -5.548 16.446 96 HA MET 17 HA MET 17 10.641 -8.065 15.585 97 HB2 MET 17 2HB MET 17 10.762 -6.659 18.259 98 HB3 MET 17 1HB MET 17 11.631 -8.136 17.865 99 HG2 MET 17 2HG MET 17 12.744 -6.883 16.000 100 HG3 MET 17 1HG MET 17 12.002 -5.415 16.631 101 HE1 MET 17 3HE MET 17 15.010 -7.970 19.026 102 HE2 MET 17 1HE MET 17 14.449 -8.386 17.406 103 HE3 MET 17 2HE MET 17 13.328 -8.435 18.766 104 H LEU 18 H LEU 18 9.614 -9.929 15.658 105 HA LEU 18 HA LEU 18 7.422 -10.401 17.531 106 HB2 LEU 18 2HB LEU 18 8.526 -11.916 15.171 107 HB3 LEU 18 1HB LEU 18 7.441 -12.695 16.304 108 HG LEU 18 HG LEU 18 6.225 -11.919 14.341 109 HD11 LEU 18 1HD1 LEU 18 4.468 -10.652 15.448 110 HD12 LEU 18 2HD1 LEU 18 5.557 -10.277 16.783 111 HD13 LEU 18 3HD1 LEU 18 5.064 -11.945 16.488 112 HD21 LEU 18 3HD2 LEU 18 5.989 -9.523 13.852 113 HD22 LEU 18 1HD2 LEU 18 7.657 -10.065 13.670 114 HD23 LEU 18 2HD2 LEU 18 7.177 -9.152 15.102 115 H GLY 19 H GLY 19 8.047 -10.939 19.536 116 HA2 GLY 19 2HA GLY 19 9.167 -11.946 21.272 117 HA3 GLY 19 1HA GLY 19 9.599 -13.222 20.142 118 H GLY 20 H GLY 20 11.611 -13.186 19.138 119 HA2 GLY 20 2HA GLY 20 13.500 -11.146 20.175 120 HA3 GLY 20 1HA GLY 20 13.927 -12.823 19.897 121 H ARG 21 H ARG 21 12.063 -12.198 17.303 122 HA ARG 21 HA ARG 21 14.363 -11.241 15.706 123 HB2 ARG 21 2HB ARG 21 13.583 -12.765 13.888 124 HB3 ARG 21 1HB ARG 21 14.156 -13.595 15.327 125 HG2 ARG 21 2HG ARG 21 11.837 -13.956 16.042 126 HG3 ARG 21 1HG ARG 21 11.267 -13.145 14.580 127 HD2 ARG 21 2HD ARG 21 12.292 -14.852 13.194 128 HD3 ARG 21 1HD ARG 21 12.993 -15.625 14.615 129 HE ARG 21 HE ARG 21 10.112 -15.420 14.653 130 HH11 ARG 21 1HH1 ARG 21 12.832 -17.333 13.774 131 HH12 ARG 21 2HH1 ARG 21 11.931 -18.805 13.747 132 HH21 ARG 21 1HH2 ARG 21 8.964 -17.320 14.627 133 HH22 ARG 21 2HH2 ARG 21 9.761 -18.794 14.198 134 HA PRO 22 HA PRO 22 11.440 -8.237 14.193 135 HB2 PRO 22 2HB PRO 22 13.411 -7.237 12.351 136 HB3 PRO 22 1HB PRO 22 12.938 -6.566 13.912 137 HG2 PRO 22 2HG PRO 22 15.408 -7.669 13.368 138 HG3 PRO 22 1HG PRO 22 14.707 -7.526 14.990 139 HD2 PRO 22 2HD PRO 22 14.800 -9.907 13.167 140 HD3 PRO 22 1HD PRO 22 15.025 -9.825 14.930 141 H ARG 23 H ARG 23 9.860 -8.484 12.727 142 HA ARG 23 HA ARG 23 10.499 -9.621 10.070 143 HB2 ARG 23 2HB ARG 23 7.881 -9.582 11.598 144 HB3 ARG 23 1HB ARG 23 8.045 -10.140 9.940 145 HG2 ARG 23 2HG ARG 23 9.402 -11.357 12.341 146 HG3 ARG 23 1HG ARG 23 7.978 -11.997 11.519 147 HD2 ARG 23 2HD ARG 23 9.358 -12.145 9.427 148 HD3 ARG 23 1HD ARG 23 10.767 -11.713 10.398 149 HE ARG 23 HE ARG 23 9.411 -13.924 11.525 150 HH11 ARG 23 1HH1 ARG 23 11.495 -13.094 8.908 151 HH12 ARG 23 2HH1 ARG 23 12.143 -14.693 8.794 152 HH21 ARG 23 1HH2 ARG 23 10.239 -15.962 11.335 153 HH22 ARG 23 2HH2 ARG 23 11.450 -16.288 10.140 154 H CYS 24 H CYS 24 9.550 -8.660 8.198 155 HA CYS 24 HA CYS 24 8.539 -5.900 8.586 156 HB2 CYS 24 2HB CYS 24 10.870 -6.221 7.503 157 HB3 CYS 24 1HB CYS 24 9.984 -6.808 6.099 158 H GLU 25 H GLU 25 6.709 -5.315 7.486 159 HA GLU 25 HA GLU 25 5.502 -7.286 5.658 160 HB2 GLU 25 2HB GLU 25 4.317 -6.137 8.162 161 HB3 GLU 25 1HB GLU 25 3.255 -6.495 6.809 162 HG2 GLU 25 2HG GLU 25 5.111 -8.515 8.065 163 HG3 GLU 25 1HG GLU 25 3.421 -8.301 8.525 164 H CYS 26 H CYS 26 4.236 -6.470 4.003 165 HA CYS 26 HA CYS 26 4.684 -3.859 3.092 166 HB2 CYS 26 2HB CYS 26 2.488 -5.801 2.363 167 HB3 CYS 26 1HB CYS 26 2.782 -4.290 1.510 168 H ALA 27 H ALA 27 4.157 -2.175 4.352 169 HA ALA 27 HA ALA 27 1.386 -1.974 5.369 170 HB1 ALA 27 3HB ALA 27 2.989 -2.272 7.190 171 HB2 ALA 27 1HB ALA 27 2.269 -0.664 7.247 172 HB3 ALA 27 2HB ALA 27 3.907 -0.877 6.627 173 HA PRO 28 HA PRO 28 0.819 1.805 3.121 174 HB2 PRO 28 2HB PRO 28 -0.294 3.029 5.595 175 HB3 PRO 28 1HB PRO 28 -1.037 2.819 4.004 176 HG2 PRO 28 2HG PRO 28 -1.771 1.301 6.076 177 HG3 PRO 28 1HG PRO 28 -1.661 0.630 4.438 178 HD2 PRO 28 2HD PRO 28 0.254 0.358 6.729 179 HD3 PRO 28 1HD PRO 28 -0.260 -0.859 5.540 180 H ASP 29 H ASP 29 2.807 2.742 2.711 181 HA ASP 29 HA ASP 29 4.236 4.184 4.751 182 HB2 ASP 29 2HB ASP 29 5.727 4.887 2.867 183 HB3 ASP 29 1HB ASP 29 5.548 3.146 3.032 184 H CYS 30 H CYS 30 2.749 5.671 5.522 185 HA CYS 30 HA CYS 30 1.392 7.485 3.716 186 HB2 CYS 30 2HB CYS 30 1.359 7.392 6.740 187 HB3 CYS 30 1HB CYS 30 0.276 8.332 5.721 188 H SER 31 H SER 31 3.210 8.594 2.847 189 HA SER 31 HA SER 31 4.807 10.319 4.521 190 HB2 SER 31 2HB SER 31 5.635 9.358 2.363 191 HB3 SER 31 1HB SER 31 4.469 10.359 1.501 192 HG SER 31 HG SER 31 6.235 11.604 3.295 193 H GLY 32 H GLY 32 4.565 12.607 2.488 194 HA2 GLY 32 2HA GLY 32 2.685 14.183 3.921 195 HA3 GLY 32 1HA GLY 32 3.476 14.634 2.420 196 H LEU 33 H LEU 33 0.720 12.880 3.781 197 HA LEU 33 HA LEU 33 -0.930 13.623 1.523 198 HB2 LEU 33 2HB LEU 33 -1.610 11.249 1.060 199 HB3 LEU 33 1HB LEU 33 0.019 11.665 0.571 200 HG LEU 33 HG LEU 33 0.731 10.610 2.846 201 HD11 LEU 33 1HD1 LEU 33 -1.499 10.384 3.802 202 HD12 LEU 33 2HD1 LEU 33 -0.721 8.813 3.634 203 HD13 LEU 33 3HD1 LEU 33 -1.969 9.305 2.489 204 HD21 LEU 33 3HD2 LEU 33 1.280 9.692 0.645 205 HD22 LEU 33 1HD2 LEU 33 -0.276 8.863 0.600 206 HD23 LEU 33 2HD2 LEU 33 0.927 8.418 1.811 207 HA PRO 34 HA PRO 34 -4.012 13.327 4.763 208 HB2 PRO 34 2HB PRO 34 -6.237 13.783 3.329 209 HB3 PRO 34 1HB PRO 34 -5.025 15.047 3.574 210 HG2 PRO 34 2HG PRO 34 -5.495 13.307 1.183 211 HG3 PRO 34 1HG PRO 34 -5.106 15.036 1.248 212 HD2 PRO 34 2HD PRO 34 -3.269 13.021 0.760 213 HD3 PRO 34 1HD PRO 34 -2.853 14.634 1.372 214 H ALA 35 H ALA 35 -4.631 11.460 5.719 215 HA ALA 35 HA ALA 35 -5.004 9.042 4.201 216 HB1 ALA 35 3HB ALA 35 -5.347 9.513 7.165 217 HB2 ALA 35 1HB ALA 35 -3.840 9.065 6.362 218 HB3 ALA 35 2HB ALA 35 -5.205 7.949 6.361 219 H ARG 36 H ARG 36 -7.083 11.359 4.171 220 HA ARG 36 HA ARG 36 -9.472 9.728 4.776 221 HB2 ARG 36 2HB ARG 36 -9.349 12.739 4.546 222 HB3 ARG 36 1HB ARG 36 -10.687 11.769 5.148 223 HG2 ARG 36 2HG ARG 36 -9.365 11.121 7.092 224 HG3 ARG 36 1HG ARG 36 -7.988 12.038 6.473 225 HD2 ARG 36 2HD ARG 36 -9.446 14.081 6.519 226 HD3 ARG 36 1HD ARG 36 -10.663 13.117 7.353 227 HE ARG 36 HE ARG 36 -8.543 12.768 8.934 228 HH11 ARG 36 1HH1 ARG 36 -9.840 15.620 7.506 229 HH12 ARG 36 2HH1 ARG 36 -9.327 16.640 8.801 230 HH21 ARG 36 1HH2 ARG 36 -7.854 14.101 10.591 231 HH22 ARG 36 2HH2 ARG 36 -8.201 15.793 10.518 232 H LEU 37 H LEU 37 -7.674 11.215 2.269 233 HA LEU 37 HA LEU 37 -9.928 11.728 0.517 234 HB2 LEU 37 2HB LEU 37 -8.002 13.240 0.512 235 HB3 LEU 37 1HB LEU 37 -6.953 11.922 0.021 236 HG LEU 37 HG LEU 37 -8.208 11.749 -2.115 237 HD11 LEU 37 1HD1 LEU 37 -10.353 12.634 -1.387 238 HD12 LEU 37 2HD1 LEU 37 -9.739 13.544 -2.766 239 HD13 LEU 37 3HD1 LEU 37 -9.632 14.226 -1.143 240 HD21 LEU 37 3HD2 LEU 37 -7.315 13.806 -3.119 241 HD22 LEU 37 1HD2 LEU 37 -6.161 13.054 -2.018 242 HD23 LEU 37 2HD2 LEU 37 -7.068 14.477 -1.506 243 H GLN 38 H GLN 38 -10.901 9.987 -0.306 244 HA GLN 38 HA GLN 38 -9.792 7.464 -0.778 245 HB2 GLN 38 2HB GLN 38 -12.181 8.717 -2.152 246 HB3 GLN 38 1HB GLN 38 -11.830 6.998 -2.051 247 HG2 GLN 38 2HG GLN 38 -12.144 7.037 0.351 248 HG3 GLN 38 1HG GLN 38 -12.389 8.783 0.313 249 HE21 GLN 38 1HE2 GLN 38 -14.448 8.672 1.179 250 HE22 GLN 38 2HE2 GLN 38 -15.796 8.048 0.292 251 H VAL 39 H VAL 39 -9.526 6.340 -2.857 252 HA VAL 39 HA VAL 39 -8.989 7.915 -5.229 253 HB VAL 39 HB VAL 39 -6.909 8.262 -3.973 254 HG11 VAL 39 1HG1 VAL 39 -5.405 6.387 -3.465 255 HG12 VAL 39 2HG1 VAL 39 -6.638 5.251 -4.008 256 HG13 VAL 39 3HG1 VAL 39 -6.929 6.254 -2.587 257 HG21 VAL 39 3HG2 VAL 39 -6.536 6.409 -6.327 258 HG22 VAL 39 1HG2 VAL 39 -5.317 7.500 -5.666 259 HG23 VAL 39 2HG2 VAL 39 -6.779 8.155 -6.404 260 H CYS 40 H CYS 40 -8.945 6.683 -7.119 261 HA CYS 40 HA CYS 40 -9.519 3.808 -6.796 262 HB2 CYS 40 2HB CYS 40 -11.156 5.079 -8.119 263 HB3 CYS 40 1HB CYS 40 -9.883 5.582 -9.227 264 H GLY 41 H GLY 41 -8.104 2.286 -7.389 265 HA2 GLY 41 2HA GLY 41 -5.512 3.140 -8.437 266 HA3 GLY 41 1HA GLY 41 -5.894 1.576 -7.741 267 H SER 42 H SER 42 -4.407 1.371 -9.862 268 HA SER 42 HA SER 42 -5.582 1.451 -12.410 269 HB2 SER 42 2HB SER 42 -3.385 -0.398 -11.432 270 HB3 SER 42 1HB SER 42 -3.755 -0.043 -13.119 271 HG SER 42 HG SER 42 -3.465 2.289 -11.981 272 H ASP 43 H ASP 43 -6.057 -0.781 -9.839 273 HA ASP 43 HA ASP 43 -6.985 -2.992 -11.394 274 HB2 ASP 43 2HB ASP 43 -7.962 -3.728 -9.166 275 HB3 ASP 43 1HB ASP 43 -6.219 -3.465 -9.192 276 H GLY 44 H GLY 44 -8.608 -0.285 -9.740 277 HA2 GLY 44 2HA GLY 44 -10.498 0.658 -11.087 278 HA3 GLY 44 1HA GLY 44 -11.090 -0.988 -11.212 279 H ALA 45 H ALA 45 -9.877 -0.722 -8.146 280 HA ALA 45 HA ALA 45 -12.557 -0.170 -7.056 281 HB1 ALA 45 3HB ALA 45 -11.768 -1.296 -5.029 282 HB2 ALA 45 1HB ALA 45 -10.170 -1.484 -5.751 283 HB3 ALA 45 2HB ALA 45 -11.559 -2.315 -6.453 284 H THR 46 H THR 46 -12.926 1.343 -5.427 285 HA THR 46 HA THR 46 -10.956 3.469 -5.166 286 HB THR 46 HB THR 46 -13.800 3.232 -4.154 287 HG1 THR 46 HG1 THR 46 -12.849 5.249 -5.872 288 HG21 THR 46 3HG2 THR 46 -11.852 5.519 -3.778 289 HG22 THR 46 1HG2 THR 46 -12.572 4.530 -2.508 290 HG23 THR 46 2HG2 THR 46 -13.586 5.609 -3.467 291 H TYR 47 H TYR 47 -9.364 3.128 -3.778 292 HA TYR 47 HA TYR 47 -9.668 1.655 -1.320 293 HB2 TYR 47 2HB TYR 47 -7.359 3.292 -2.412 294 HB3 TYR 47 1HB TYR 47 -7.281 2.311 -0.950 295 HD1 TYR 47 HD2 TYR 47 -7.764 2.151 -4.628 296 HD2 TYR 47 HD1 TYR 47 -6.912 -0.035 -1.071 297 HE1 TYR 47 HE2 TYR 47 -7.192 0.182 -5.981 298 HE2 TYR 47 HE1 TYR 47 -6.344 -2.011 -2.420 299 HH TYR 47 HH TYR 47 -6.124 -1.855 -5.913 300 H ARG 48 H ARG 48 -9.065 2.588 0.809 301 HA ARG 48 HA ARG 48 -10.798 4.671 1.487 302 HB2 ARG 48 2HB ARG 48 -8.435 3.587 3.035 303 HB3 ARG 48 1HB ARG 48 -9.652 4.664 3.706 304 HG2 ARG 48 2HG ARG 48 -10.058 1.853 2.704 305 HG3 ARG 48 1HG ARG 48 -10.162 2.424 4.370 306 HD2 ARG 48 2HD ARG 48 -12.021 3.092 2.085 307 HD3 ARG 48 1HD ARG 48 -12.392 2.129 3.514 308 HE ARG 48 HE ARG 48 -11.673 4.522 4.556 309 HH11 ARG 48 1HH1 ARG 48 -13.967 3.591 2.150 310 HH12 ARG 48 2HH1 ARG 48 -15.005 4.932 2.477 311 HH21 ARG 48 1HH2 ARG 48 -13.012 6.252 4.936 312 HH22 ARG 48 2HH2 ARG 48 -14.471 6.418 4.018 313 H ASP 49 H ASP 49 -7.349 4.806 0.710 314 HA ASP 49 HA ASP 49 -7.511 7.592 0.157 315 HB2 ASP 49 2HB ASP 49 -5.924 8.386 1.881 316 HB3 ASP 49 1HB ASP 49 -7.428 7.790 2.576 317 H GLU 50 H GLU 50 -5.266 8.557 -0.190 318 HA GLU 50 HA GLU 50 -3.826 7.384 -2.185 319 HB2 GLU 50 2HB GLU 50 -3.597 9.727 -1.540 320 HB3 GLU 50 1HB GLU 50 -2.839 9.266 -0.024 321 HG2 GLU 50 2HG GLU 50 -1.002 9.853 -1.245 322 HG3 GLU 50 1HG GLU 50 -1.073 8.128 -1.594 323 H CYS 51 H CYS 51 -3.116 7.155 1.294 324 HA CYS 51 HA CYS 51 -0.643 5.750 0.974 325 HB2 CYS 51 2HB CYS 51 -1.244 7.176 2.944 326 HB3 CYS 51 1HB CYS 51 -2.378 5.931 3.448 327 H GLU 52 H GLU 52 -3.957 4.774 1.760 328 HA GLU 52 HA GLU 52 -3.613 2.058 2.247 329 HB2 GLU 52 2HB GLU 52 -5.752 3.235 2.523 330 HB3 GLU 52 1HB GLU 52 -5.884 3.440 0.783 331 HG2 GLU 52 2HG GLU 52 -7.319 1.668 1.322 332 HG3 GLU 52 1HG GLU 52 -5.893 0.914 0.612 333 H LEU 53 H LEU 53 -3.918 3.737 -0.864 334 HA LEU 53 HA LEU 53 -3.826 1.453 -2.535 335 HB2 LEU 53 2HB LEU 53 -4.560 3.751 -3.194 336 HB3 LEU 53 1HB LEU 53 -2.887 4.266 -3.146 337 HG LEU 53 HG LEU 53 -3.745 2.030 -4.974 338 HD11 LEU 53 1HD1 LEU 53 -3.882 4.987 -5.580 339 HD12 LEU 53 2HD1 LEU 53 -5.249 3.880 -5.458 340 HD13 LEU 53 3HD1 LEU 53 -4.073 3.687 -6.756 341 HD21 LEU 53 3HD2 LEU 53 -1.831 2.776 -6.302 342 HD22 LEU 53 1HD2 LEU 53 -1.338 2.394 -4.652 343 HD23 LEU 53 2HD2 LEU 53 -1.523 4.075 -5.148 344 H ARG 54 H ARG 54 -1.270 3.630 -1.367 345 HA ARG 54 HA ARG 54 0.913 2.448 -2.668 346 HB2 ARG 54 2HB ARG 54 0.781 3.956 -0.044 347 HB3 ARG 54 1HB ARG 54 2.280 3.547 -0.873 348 HG2 ARG 54 2HG ARG 54 1.782 4.961 -2.696 349 HG3 ARG 54 1HG ARG 54 0.099 5.135 -2.205 350 HD2 ARG 54 2HD ARG 54 1.283 7.166 -1.692 351 HD3 ARG 54 1HD ARG 54 0.855 6.357 -0.188 352 HE ARG 54 HE ARG 54 3.198 5.621 -0.053 353 HH11 ARG 54 1HH1 ARG 54 2.483 8.225 -2.210 354 HH12 ARG 54 2HH1 ARG 54 4.064 8.907 -2.069 355 HH21 ARG 54 1HH2 ARG 54 5.204 6.541 0.133 356 HH22 ARG 54 2HH2 ARG 54 5.579 7.980 -0.755 357 H ALA 55 H ALA 55 -0.787 1.488 0.238 358 HA ALA 55 HA ALA 55 1.101 -0.468 1.131 359 HB1 ALA 55 3HB ALA 55 -0.613 0.515 2.597 360 HB2 ALA 55 1HB ALA 55 -0.691 -1.246 2.577 361 HB3 ALA 55 2HB ALA 55 -1.866 -0.299 1.662 362 H ALA 56 H ALA 56 -2.051 -0.805 -0.536 363 HA ALA 56 HA ALA 56 -2.021 -3.540 -1.009 364 HB1 ALA 56 3HB ALA 56 -3.185 -1.405 -2.804 365 HB2 ALA 56 1HB ALA 56 -3.975 -2.102 -1.391 366 HB3 ALA 56 2HB ALA 56 -3.630 -3.111 -2.795 367 H ARG 57 H ARG 57 -0.486 -0.951 -2.815 368 HA ARG 57 HA ARG 57 0.504 -2.190 -5.056 369 HB2 ARG 57 2HB ARG 57 0.925 0.121 -4.703 370 HB3 ARG 57 1HB ARG 57 1.731 -0.178 -3.172 371 HG2 ARG 57 2HG ARG 57 3.558 -1.327 -4.463 372 HG3 ARG 57 1HG ARG 57 2.782 -0.745 -5.939 373 HD2 ARG 57 2HD ARG 57 4.648 0.702 -5.109 374 HD3 ARG 57 1HD ARG 57 3.104 1.538 -5.295 375 HE ARG 57 HE ARG 57 3.142 0.722 -2.683 376 HH11 ARG 57 1HH1 ARG 57 5.262 2.628 -4.626 377 HH12 ARG 57 2HH1 ARG 57 5.748 3.616 -3.295 378 HH21 ARG 57 1HH2 ARG 57 3.801 1.984 -0.987 379 HH22 ARG 57 2HH2 ARG 57 4.935 3.255 -1.262 380 H CYS 58 H CYS 58 1.995 -2.256 -1.795 381 HA CYS 58 HA CYS 58 4.066 -4.096 -2.625 382 HB2 CYS 58 2HB CYS 58 4.419 -2.401 -0.828 383 HB3 CYS 58 1HB CYS 58 3.279 -3.277 0.185 384 H ARG 59 H ARG 59 0.860 -4.364 -1.345 385 HA ARG 59 HA ARG 59 1.141 -7.030 -0.301 386 HB2 ARG 59 2HB ARG 59 -1.228 -5.238 -0.806 387 HB3 ARG 59 1HB ARG 59 -1.418 -6.890 -0.234 388 HG2 ARG 59 2HG ARG 59 0.190 -4.766 1.187 389 HG3 ARG 59 1HG ARG 59 -1.477 -5.200 1.576 390 HD2 ARG 59 2HD ARG 59 -0.822 -7.439 2.169 391 HD3 ARG 59 1HD ARG 59 0.822 -7.162 1.599 392 HE ARG 59 HE ARG 59 0.196 -5.308 3.628 393 HH11 ARG 59 1HH1 ARG 59 0.835 -8.671 3.200 394 HH12 ARG 59 2HH1 ARG 59 1.536 -8.843 4.773 395 HH21 ARG 59 1HH2 ARG 59 1.089 -5.560 5.649 396 HH22 ARG 59 2HH2 ARG 59 1.642 -7.119 6.152 397 H GLY 60 H GLY 60 1.974 -6.804 -3.062 398 HA2 GLY 60 2HA GLY 60 1.958 -8.489 -4.687 399 HA3 GLY 60 1HA GLY 60 0.390 -9.016 -4.105 400 H HIS 61 H HIS 61 0.891 -5.632 -4.857 401 HA HIS 61 HA HIS 61 -0.349 -6.026 -7.507 402 HB2 HIS 61 2HB HIS 61 -1.124 -3.819 -5.581 403 HB3 HIS 61 1HB HIS 61 -1.815 -4.116 -7.173 404 HD1 HIS 61 HD1 HIS 61 -2.339 -7.146 -6.944 405 HD2 HIS 61 HD2 HIS 61 -3.239 -4.399 -3.960 406 HE1 HIS 61 HE1 HIS 61 -4.131 -8.222 -5.557 407 HE2 HIS 61 HE2 HIS 61 -4.794 -6.461 -3.890 408 HA PRO 62 HA PRO 62 3.512 -3.399 -7.750 409 HB2 PRO 62 2HB PRO 62 3.966 -4.989 -10.201 410 HB3 PRO 62 1HB PRO 62 5.045 -4.707 -8.832 411 HG2 PRO 62 2HG PRO 62 3.901 -7.100 -9.242 412 HG3 PRO 62 1HG PRO 62 4.172 -6.468 -7.606 413 HD2 PRO 62 2HD PRO 62 1.639 -6.517 -9.224 414 HD3 PRO 62 1HD PRO 62 1.884 -6.890 -7.503 415 H ASP 63 H ASP 63 1.105 -4.325 -10.134 416 HA ASP 63 HA ASP 63 1.688 -2.245 -12.018 417 HB2 ASP 63 2HB ASP 63 -0.859 -3.851 -11.709 418 HB3 ASP 63 1HB ASP 63 -0.321 -2.987 -13.147 419 H LEU 64 H LEU 64 0.169 -2.196 -9.007 420 HA LEU 64 HA LEU 64 -2.129 -0.633 -9.536 421 HB2 LEU 64 2HB LEU 64 -1.226 -2.050 -7.400 422 HB3 LEU 64 1HB LEU 64 -0.902 -0.418 -6.849 423 HG LEU 64 HG LEU 64 -3.582 -1.577 -7.631 424 HD11 LEU 64 1HD1 LEU 64 -4.171 -1.100 -5.300 425 HD12 LEU 64 2HD1 LEU 64 -2.523 -0.545 -5.000 426 HD13 LEU 64 3HD1 LEU 64 -2.823 -2.232 -5.420 427 HD21 LEU 64 3HD2 LEU 64 -2.912 1.256 -6.841 428 HD22 LEU 64 1HD2 LEU 64 -4.539 0.598 -7.030 429 HD23 LEU 64 2HD2 LEU 64 -3.466 0.712 -8.425 430 H SER 65 H SER 65 -2.051 1.359 -10.354 431 HA SER 65 HA SER 65 -0.419 3.384 -8.973 432 HB2 SER 65 2HB SER 65 -0.813 3.189 -11.976 433 HB3 SER 65 1HB SER 65 -0.014 4.522 -11.144 434 HG SER 65 HG SER 65 1.125 2.262 -10.326 435 H VAL 66 H VAL 66 -1.281 5.589 -9.172 436 HA VAL 66 HA VAL 66 -4.094 5.603 -8.671 437 HB VAL 66 HB VAL 66 -2.143 7.904 -8.935 438 HG11 VAL 66 1HG1 VAL 66 -4.960 7.912 -7.835 439 HG12 VAL 66 2HG1 VAL 66 -4.429 8.682 -9.329 440 HG13 VAL 66 3HG1 VAL 66 -3.829 9.265 -7.776 441 HG21 VAL 66 3HG2 VAL 66 -3.248 6.513 -6.492 442 HG22 VAL 66 1HG2 VAL 66 -2.199 7.931 -6.482 443 HG23 VAL 66 2HG2 VAL 66 -1.597 6.394 -7.103 444 H MET 67 H MET 67 -5.732 5.866 -10.070 445 HA MET 67 HA MET 67 -5.240 7.071 -12.699 446 HB2 MET 67 2HB MET 67 -7.634 5.635 -11.543 447 HB3 MET 67 1HB MET 67 -7.672 6.444 -13.104 448 HG2 MET 67 2HG MET 67 -5.799 4.989 -13.840 449 HG3 MET 67 1HG MET 67 -5.931 4.117 -12.312 450 HE1 MET 67 3HE MET 67 -6.174 2.858 -15.344 451 HE2 MET 67 1HE MET 67 -7.463 1.686 -15.070 452 HE3 MET 67 2HE MET 67 -6.179 1.879 -13.878 453 H TYR 68 H TYR 68 -7.543 7.499 -9.989 454 HA TYR 68 HA TYR 68 -7.244 10.330 -10.007 455 HB2 TYR 68 2HB TYR 68 -9.632 10.884 -10.557 456 HB3 TYR 68 1HB TYR 68 -8.675 10.330 -11.921 457 HD1 TYR 68 HD2 TYR 68 -8.998 7.978 -12.764 458 HD2 TYR 68 HD1 TYR 68 -11.624 9.737 -9.911 459 HE1 TYR 68 HE2 TYR 68 -10.699 6.292 -13.299 460 HE2 TYR 68 HE1 TYR 68 -13.335 8.052 -10.446 461 HH TYR 68 HH TYR 68 -13.870 6.564 -12.522 462 H ARG 69 H ARG 69 -8.901 11.393 -8.479 463 HA ARG 69 HA ARG 69 -8.774 9.834 -6.031 464 HB2 ARG 69 2HB ARG 69 -9.645 12.705 -6.439 465 HB3 ARG 69 1HB ARG 69 -9.261 11.940 -4.904 466 HG2 ARG 69 2HG ARG 69 -7.315 12.411 -7.159 467 HG3 ARG 69 1HG ARG 69 -7.449 13.385 -5.693 468 HD2 ARG 69 2HD ARG 69 -6.881 11.414 -4.343 469 HD3 ARG 69 1HD ARG 69 -6.733 10.450 -5.814 470 HE ARG 69 HE ARG 69 -5.053 12.773 -5.824 471 HH11 ARG 69 1HH1 ARG 69 -5.294 9.526 -4.700 472 HH12 ARG 69 2HH1 ARG 69 -3.583 9.304 -4.640 473 HH21 ARG 69 1HH2 ARG 69 -2.865 12.474 -5.750 474 HH22 ARG 69 2HH2 ARG 69 -2.219 10.961 -5.201 475 H GLY 70 H GLY 70 -10.589 10.163 -4.406 476 HA2 GLY 70 2HA GLY 70 -12.773 9.992 -3.726 477 HA3 GLY 70 1HA GLY 70 -13.242 10.705 -5.259 478 H ARG 71 H ARG 71 -15.059 9.313 -5.325 479 HA ARG 71 HA ARG 71 -14.809 6.471 -5.337 480 HB2 ARG 71 2HB ARG 71 -17.007 8.298 -6.331 481 HB3 ARG 71 1HB ARG 71 -17.137 6.546 -6.295 482 HG2 ARG 71 2HG ARG 71 -16.771 8.352 -3.906 483 HG3 ARG 71 1HG ARG 71 -18.256 7.529 -4.384 484 HD2 ARG 71 2HD ARG 71 -15.681 6.255 -3.461 485 HD3 ARG 71 1HD ARG 71 -17.221 6.286 -2.602 486 HE ARG 71 HE ARG 71 -16.664 4.744 -5.054 487 HH11 ARG 71 1HH1 ARG 71 -18.573 5.305 -2.243 488 HH12 ARG 71 2HH1 ARG 71 -19.434 3.818 -2.399 489 HH21 ARG 71 1HH2 ARG 71 -17.791 2.836 -5.244 490 HH22 ARG 71 2HH2 ARG 71 -18.993 2.437 -4.067 491 H CYS 72 H CYS 72 -14.624 5.037 -7.026 492 HA CYS 72 HA CYS 72 -13.357 6.052 -9.401 493 HB2 CYS 72 2HB CYS 72 -12.839 3.844 -8.130 494 HB3 CYS 72 1HB CYS 72 -14.191 3.179 -9.038 495 H ARG 73 H ARG 73 -14.954 7.274 -10.415 496 HA ARG 73 HA ARG 73 -17.531 6.083 -11.030 497 HB2 ARG 73 2HB ARG 73 -16.408 8.852 -11.477 498 HB3 ARG 73 1HB ARG 73 -18.029 8.366 -11.959 499 HG2 ARG 73 2HG ARG 73 -18.596 7.895 -9.635 500 HG3 ARG 73 1HG ARG 73 -16.964 8.346 -9.136 501 HD2 ARG 73 2HD ARG 73 -17.307 10.612 -9.788 502 HD3 ARG 73 1HD ARG 73 -18.820 10.217 -10.602 503 HE ARG 73 HE ARG 73 -19.510 9.546 -8.183 504 HH11 ARG 73 1HH1 ARG 73 -17.496 12.204 -9.057 505 HH12 ARG 73 2HH1 ARG 73 -18.059 13.197 -7.762 506 HH21 ARG 73 1HH2 ARG 73 -20.219 10.827 -6.518 507 HH22 ARG 73 2HH2 ARG 73 -19.588 12.429 -6.341 508 H LYS 74 H LYS 74 -18.218 5.382 -12.951 509 HA LYS 74 HA LYS 74 -16.478 5.682 -15.312 510 HB2 LYS 74 2HB LYS 74 -17.202 3.392 -14.713 511 HB3 LYS 74 1HB LYS 74 -18.882 3.888 -14.879 512 HG2 LYS 74 2HG LYS 74 -18.272 4.508 -17.290 513 HG3 LYS 74 1HG LYS 74 -16.804 3.562 -17.027 514 HD2 LYS 74 2HD LYS 74 -18.568 2.224 -18.089 515 HD3 LYS 74 1HD LYS 74 -18.159 1.596 -16.492 516 HE2 LYS 74 2HE LYS 74 -20.622 1.699 -17.007 517 HE3 LYS 74 1HE LYS 74 -20.129 2.523 -15.527 518 HZ1 LYS 74 3HZ LYS 74 -21.711 3.812 -16.864 519 HZ2 LYS 74 1HZ LYS 74 -20.595 3.868 -18.135 520 HZ3 LYS 74 2HZ LYS 74 -20.245 4.625 -16.661 Start of MODEL 2 1 H1 SER 1 1H SER 1 12.749 -5.758 21.220 2 H2 SER 1 2H SER 1 13.706 -5.164 22.479 3 H3 SER 1 3H SER 1 13.968 -4.628 20.897 4 HA SER 1 HA SER 1 11.530 -4.136 22.517 5 HB2 SER 1 2HB SER 1 12.266 -1.794 22.568 6 HB3 SER 1 1HB SER 1 13.504 -2.835 23.266 7 HG SER 1 HG SER 1 14.114 -1.138 21.614 8 H ASP 2 H ASP 2 10.471 -2.021 21.407 9 HA ASP 2 HA ASP 2 9.576 -2.864 18.832 10 HB2 ASP 2 2HB ASP 2 8.260 -1.588 20.627 11 HB3 ASP 2 1HB ASP 2 9.097 -0.146 20.064 12 H SER 3 H SER 3 11.773 -2.931 17.912 13 HA SER 3 HA SER 3 12.364 -0.698 16.221 14 HB2 SER 3 2HB SER 3 14.193 -1.282 18.560 15 HB3 SER 3 1HB SER 3 14.806 -0.551 17.080 16 HG SER 3 HG SER 3 12.558 0.594 18.322 17 H CYS 4 H CYS 4 14.885 -1.269 15.339 18 HA CYS 4 HA CYS 4 14.927 -4.197 14.871 19 HB2 CYS 4 2HB CYS 4 15.715 -2.141 12.804 20 HB3 CYS 4 1HB CYS 4 15.483 -3.872 12.574 21 H ASP 5 H ASP 5 16.812 -5.093 15.494 22 HA ASP 5 HA ASP 5 19.185 -3.438 15.804 23 HB2 ASP 5 2HB ASP 5 18.739 -6.378 16.374 24 HB3 ASP 5 1HB ASP 5 20.180 -5.457 16.805 25 H GLY 6 H GLY 6 20.385 -3.027 14.029 26 HA2 GLY 6 2HA GLY 6 21.638 -3.362 12.131 27 HA3 GLY 6 1HA GLY 6 21.793 -5.023 12.663 28 H VAL 7 H VAL 7 18.604 -3.824 11.983 29 HA VAL 7 HA VAL 7 18.549 -5.431 9.505 30 HB VAL 7 HB VAL 7 16.203 -4.589 11.227 31 HG11 VAL 7 1HG1 VAL 7 15.601 -4.890 8.878 32 HG12 VAL 7 2HG1 VAL 7 14.911 -6.170 9.874 33 HG13 VAL 7 3HG1 VAL 7 16.335 -6.493 8.885 34 HG21 VAL 7 3HG2 VAL 7 16.091 -6.960 11.894 35 HG22 VAL 7 1HG2 VAL 7 17.587 -6.189 12.418 36 HG23 VAL 7 2HG2 VAL 7 17.593 -7.263 11.020 37 H GLU 8 H GLU 8 18.768 -4.186 7.736 38 HA GLU 8 HA GLU 8 17.912 -1.396 7.801 39 HB2 GLU 8 2HB GLU 8 19.404 -2.894 5.640 40 HB3 GLU 8 1HB GLU 8 19.174 -1.155 5.728 41 HG2 GLU 8 2HG GLU 8 20.784 -2.861 7.619 42 HG3 GLU 8 1HG GLU 8 21.404 -1.710 6.436 43 H CYS 9 H CYS 9 15.800 -1.107 7.402 44 HA CYS 9 HA CYS 9 14.809 -1.806 4.744 45 HB2 CYS 9 2HB CYS 9 13.333 -2.568 7.281 46 HB3 CYS 9 1HB CYS 9 12.607 -2.573 5.678 47 H GLY 10 H GLY 10 13.451 -0.248 3.893 48 HA2 GLY 10 2HA GLY 10 12.295 1.789 5.642 49 HA3 GLY 10 1HA GLY 10 13.548 2.344 4.546 50 HA PRO 11 HA PRO 11 10.027 3.388 1.886 51 HB2 PRO 11 2HB PRO 11 12.268 3.429 -0.108 52 HB3 PRO 11 1HB PRO 11 10.979 4.611 0.162 53 HG2 PRO 11 2HG PRO 11 13.433 5.094 1.051 54 HG3 PRO 11 1HG PRO 11 12.023 5.519 2.039 55 HD2 PRO 11 2HD PRO 11 13.932 3.238 2.344 56 HD3 PRO 11 1HD PRO 11 13.112 4.201 3.590 57 H GLY 12 H GLY 12 8.780 1.648 1.478 58 HA2 GLY 12 2HA GLY 12 8.194 0.011 -0.275 59 HA3 GLY 12 1HA GLY 12 9.868 -0.523 -0.230 60 H LYS 13 H LYS 13 10.467 -0.920 2.324 61 HA LYS 13 HA LYS 13 8.331 -2.553 3.531 62 HB2 LYS 13 2HB LYS 13 11.186 -3.462 3.077 63 HB3 LYS 13 1HB LYS 13 10.032 -4.301 4.103 64 HG2 LYS 13 2HG LYS 13 8.596 -4.702 2.156 65 HG3 LYS 13 1HG LYS 13 9.765 -3.874 1.127 66 HD2 LYS 13 2HD LYS 13 10.308 -6.374 2.746 67 HD3 LYS 13 1HD LYS 13 9.997 -6.329 1.011 68 HE2 LYS 13 2HE LYS 13 12.007 -4.958 0.687 69 HE3 LYS 13 1HE LYS 13 12.315 -4.994 2.422 70 HZ1 LYS 13 3HZ LYS 13 12.273 -7.364 0.630 71 HZ2 LYS 13 1HZ LYS 13 12.596 -7.387 2.291 72 HZ3 LYS 13 2HZ LYS 13 13.663 -6.610 1.230 73 H ALA 14 H ALA 14 8.174 -2.355 5.702 74 HA ALA 14 HA ALA 14 10.262 -0.799 7.093 75 HB1 ALA 14 3HB ALA 14 8.534 -0.215 8.718 76 HB2 ALA 14 1HB ALA 14 7.365 -1.215 7.854 77 HB3 ALA 14 2HB ALA 14 8.032 0.225 7.085 78 H CYS 15 H CYS 15 11.216 -1.586 8.930 79 HA CYS 15 HA CYS 15 10.782 -4.451 9.432 80 HB2 CYS 15 2HB CYS 15 13.004 -4.520 10.345 81 HB3 CYS 15 1HB CYS 15 13.075 -3.659 8.810 82 H ARG 16 H ARG 16 9.788 -5.090 11.206 83 HA ARG 16 HA ARG 16 10.142 -3.619 13.714 84 HB2 ARG 16 2HB ARG 16 8.002 -2.854 12.570 85 HB3 ARG 16 1HB ARG 16 7.396 -4.491 12.783 86 HG2 ARG 16 2HG ARG 16 7.595 -4.264 15.205 87 HG3 ARG 16 1HG ARG 16 8.245 -2.637 15.007 88 HD2 ARG 16 2HD ARG 16 6.123 -1.969 13.904 89 HD3 ARG 16 1HD ARG 16 5.481 -3.580 14.231 90 HE ARG 16 HE ARG 16 6.450 -2.150 16.551 91 HH11 ARG 16 1HH1 ARG 16 3.726 -2.833 14.553 92 HH12 ARG 16 2HH1 ARG 16 2.586 -2.466 15.799 93 HH21 ARG 16 1HH2 ARG 16 5.007 -1.674 18.123 94 HH22 ARG 16 2HH2 ARG 16 3.308 -1.809 17.812 95 H MET 17 H MET 17 9.496 -5.000 15.633 96 HA MET 17 HA MET 17 10.418 -7.684 15.126 97 HB2 MET 17 2HB MET 17 9.584 -6.351 17.708 98 HB3 MET 17 1HB MET 17 10.275 -7.965 17.594 99 HG2 MET 17 2HG MET 17 12.244 -6.820 16.402 100 HG3 MET 17 1HG MET 17 11.580 -5.323 17.052 101 HE1 MET 17 3HE MET 17 13.043 -8.843 17.876 102 HE2 MET 17 1HE MET 17 11.503 -8.881 18.734 103 HE3 MET 17 2HE MET 17 13.016 -8.858 19.640 104 H LEU 18 H LEU 18 8.991 -9.008 14.177 105 HA LEU 18 HA LEU 18 6.366 -9.401 15.482 106 HB2 LEU 18 2HB LEU 18 7.189 -9.817 12.605 107 HB3 LEU 18 1HB LEU 18 5.735 -10.531 13.272 108 HG LEU 18 HG LEU 18 5.052 -8.586 12.117 109 HD11 LEU 18 1HD1 LEU 18 4.070 -7.193 13.847 110 HD12 LEU 18 2HD1 LEU 18 5.173 -7.871 15.045 111 HD13 LEU 18 3HD1 LEU 18 3.962 -8.899 14.276 112 HD21 LEU 18 3HD2 LEU 18 5.979 -6.359 12.500 113 HD22 LEU 18 1HD2 LEU 18 7.206 -7.478 11.906 114 HD23 LEU 18 2HD2 LEU 18 7.167 -7.038 13.614 115 H GLY 19 H GLY 19 5.743 -11.491 16.039 116 HA2 GLY 19 2HA GLY 19 6.097 -13.629 16.820 117 HA3 GLY 19 1HA GLY 19 7.103 -13.862 15.399 118 H GLY 20 H GLY 20 7.854 -11.391 17.747 119 HA2 GLY 20 2HA GLY 20 9.459 -11.292 19.423 120 HA3 GLY 20 1HA GLY 20 9.755 -13.008 19.212 121 H ARG 21 H ARG 21 9.993 -11.756 16.168 122 HA ARG 21 HA ARG 21 12.833 -11.018 16.464 123 HB2 ARG 21 2HB ARG 21 11.829 -12.933 14.345 124 HB3 ARG 21 1HB ARG 21 13.495 -12.440 14.621 125 HG2 ARG 21 2HG ARG 21 13.195 -13.479 16.965 126 HG3 ARG 21 1HG ARG 21 11.775 -14.265 16.272 127 HD2 ARG 21 2HD ARG 21 13.639 -15.770 16.095 128 HD3 ARG 21 1HD ARG 21 13.241 -15.186 14.475 129 HE ARG 21 HE ARG 21 15.272 -13.642 15.804 130 HH11 ARG 21 1HH1 ARG 21 14.688 -16.400 13.824 131 HH12 ARG 21 2HH1 ARG 21 16.298 -16.411 13.191 132 HH21 ARG 21 1HH2 ARG 21 17.306 -13.660 14.994 133 HH22 ARG 21 2HH2 ARG 21 17.776 -14.880 13.858 134 HA PRO 22 HA PRO 22 11.781 -7.602 13.847 135 HB2 PRO 22 2HB PRO 22 14.238 -7.144 12.677 136 HB3 PRO 22 1HB PRO 22 13.785 -6.614 14.301 137 HG2 PRO 22 2HG PRO 22 15.354 -9.030 13.464 138 HG3 PRO 22 1HG PRO 22 15.646 -7.913 14.813 139 HD2 PRO 22 2HD PRO 22 14.518 -10.324 15.198 140 HD3 PRO 22 1HD PRO 22 14.026 -8.907 16.150 141 H ARG 23 H ARG 23 10.517 -7.935 12.117 142 HA ARG 23 HA ARG 23 11.601 -9.331 9.744 143 HB2 ARG 23 2HB ARG 23 8.682 -9.062 10.511 144 HB3 ARG 23 1HB ARG 23 9.348 -10.031 9.204 145 HG2 ARG 23 2HG ARG 23 9.763 -10.512 12.154 146 HG3 ARG 23 1HG ARG 23 8.673 -11.410 11.099 147 HD2 ARG 23 2HD ARG 23 10.610 -12.148 9.763 148 HD3 ARG 23 1HD ARG 23 11.686 -11.288 10.866 149 HE ARG 23 HE ARG 23 10.013 -13.129 12.247 150 HH11 ARG 23 1HH1 ARG 23 12.870 -12.920 10.337 151 HH12 ARG 23 2HH1 ARG 23 13.534 -14.380 10.976 152 HH21 ARG 23 1HH2 ARG 23 10.884 -14.995 13.071 153 HH22 ARG 23 2HH2 ARG 23 12.420 -15.547 12.499 154 H CYS 24 H CYS 24 10.904 -8.500 7.644 155 HA CYS 24 HA CYS 24 10.098 -5.648 7.715 156 HB2 CYS 24 2HB CYS 24 11.974 -7.032 5.784 157 HB3 CYS 24 1HB CYS 24 11.369 -5.393 5.563 158 H GLU 25 H GLU 25 8.178 -5.233 6.845 159 HA GLU 25 HA GLU 25 7.284 -6.773 4.502 160 HB2 GLU 25 2HB GLU 25 4.948 -6.761 5.420 161 HB3 GLU 25 1HB GLU 25 6.075 -7.792 6.287 162 HG2 GLU 25 2HG GLU 25 6.310 -6.037 8.009 163 HG3 GLU 25 1HG GLU 25 5.098 -5.076 7.158 164 H CYS 26 H CYS 26 5.433 -5.660 3.329 165 HA CYS 26 HA CYS 26 6.453 -3.230 2.419 166 HB2 CYS 26 2HB CYS 26 5.071 -4.541 0.958 167 HB3 CYS 26 1HB CYS 26 3.687 -4.379 2.037 168 H ALA 27 H ALA 27 6.264 -1.171 2.964 169 HA ALA 27 HA ALA 27 4.061 -0.353 4.761 170 HB1 ALA 27 3HB ALA 27 6.849 0.811 4.635 171 HB2 ALA 27 1HB ALA 27 6.240 -0.275 5.887 172 HB3 ALA 27 2HB ALA 27 5.548 1.335 5.705 173 HA PRO 28 HA PRO 28 3.061 2.235 1.180 174 HB2 PRO 28 2HB PRO 28 0.829 3.370 2.267 175 HB3 PRO 28 1HB PRO 28 0.849 1.758 1.545 176 HG2 PRO 28 2HG PRO 28 1.004 2.541 4.435 177 HG3 PRO 28 1HG PRO 28 0.068 1.237 3.675 178 HD2 PRO 28 2HD PRO 28 2.406 0.782 4.962 179 HD3 PRO 28 1HD PRO 28 1.896 -0.175 3.556 180 H ASP 29 H ASP 29 3.316 4.403 0.669 181 HA ASP 29 HA ASP 29 4.901 5.964 2.482 182 HB2 ASP 29 2HB ASP 29 3.779 6.999 -0.111 183 HB3 ASP 29 1HB ASP 29 5.333 7.350 0.639 184 H CYS 30 H CYS 30 2.158 5.628 3.468 185 HA CYS 30 HA CYS 30 0.794 8.112 2.795 186 HB2 CYS 30 2HB CYS 30 -1.121 7.174 4.052 187 HB3 CYS 30 1HB CYS 30 -0.583 6.167 2.716 188 H SER 31 H SER 31 3.170 7.740 4.819 189 HA SER 31 HA SER 31 2.155 8.830 7.249 190 HB2 SER 31 2HB SER 31 4.953 8.970 6.081 191 HB3 SER 31 1HB SER 31 4.521 9.422 7.731 192 HG SER 31 HG SER 31 3.667 7.189 7.875 193 H GLY 32 H GLY 32 0.686 10.431 6.359 194 HA2 GLY 32 2HA GLY 32 0.755 12.947 6.502 195 HA3 GLY 32 1HA GLY 32 2.012 12.859 5.278 196 H LEU 33 H LEU 33 -0.181 10.462 4.596 197 HA LEU 33 HA LEU 33 -1.449 12.079 2.505 198 HB2 LEU 33 2HB LEU 33 -1.213 9.097 2.914 199 HB3 LEU 33 1HB LEU 33 -2.236 9.800 1.674 200 HG LEU 33 HG LEU 33 0.769 10.137 1.859 201 HD11 LEU 33 1HD1 LEU 33 0.135 7.870 1.212 202 HD12 LEU 33 2HD1 LEU 33 0.821 8.743 -0.158 203 HD13 LEU 33 3HD1 LEU 33 -0.924 8.511 -0.044 204 HD21 LEU 33 3HD2 LEU 33 -1.189 11.044 -0.255 205 HD22 LEU 33 1HD2 LEU 33 0.566 11.200 -0.334 206 HD23 LEU 33 2HD2 LEU 33 -0.343 12.091 0.886 207 HA PRO 34 HA PRO 34 -5.408 12.219 4.489 208 HB2 PRO 34 2HB PRO 34 -7.097 12.188 2.342 209 HB3 PRO 34 1HB PRO 34 -6.125 13.594 2.793 210 HG2 PRO 34 2HG PRO 34 -5.583 11.513 0.698 211 HG3 PRO 34 1HG PRO 34 -5.408 13.277 0.596 212 HD2 PRO 34 2HD PRO 34 -3.292 11.646 1.014 213 HD3 PRO 34 1HD PRO 34 -3.386 13.269 1.731 214 H ALA 35 H ALA 35 -6.194 10.537 5.627 215 HA ALA 35 HA ALA 35 -6.682 7.955 4.345 216 HB1 ALA 35 3HB ALA 35 -6.921 8.737 7.251 217 HB2 ALA 35 1HB ALA 35 -5.500 8.012 6.499 218 HB3 ALA 35 2HB ALA 35 -7.006 7.097 6.605 219 H ARG 36 H ARG 36 -8.412 10.737 4.837 220 HA ARG 36 HA ARG 36 -10.994 9.379 5.199 221 HB2 ARG 36 2HB ARG 36 -10.261 12.314 5.281 222 HB3 ARG 36 1HB ARG 36 -11.891 11.690 5.487 223 HG2 ARG 36 2HG ARG 36 -11.248 10.546 7.515 224 HG3 ARG 36 1HG ARG 36 -9.564 11.022 7.286 225 HD2 ARG 36 2HD ARG 36 -10.105 13.338 7.602 226 HD3 ARG 36 1HD ARG 36 -11.833 12.989 7.595 227 HE ARG 36 HE ARG 36 -10.959 11.533 9.679 228 HH11 ARG 36 1HH1 ARG 36 -10.387 14.815 8.802 229 HH12 ARG 36 2HH1 ARG 36 -10.313 15.357 10.440 230 HH21 ARG 36 1HH2 ARG 36 -10.893 12.248 11.786 231 HH22 ARG 36 2HH2 ARG 36 -10.624 13.924 12.109 232 H LEU 37 H LEU 37 -9.082 10.156 2.642 233 HA LEU 37 HA LEU 37 -11.364 10.919 0.921 234 HB2 LEU 37 2HB LEU 37 -9.669 12.689 1.094 235 HB3 LEU 37 1HB LEU 37 -8.435 11.566 0.549 236 HG LEU 37 HG LEU 37 -9.588 11.376 -1.638 237 HD11 LEU 37 1HD1 LEU 37 -11.862 11.864 -0.919 238 HD12 LEU 37 2HD1 LEU 37 -11.370 12.950 -2.218 239 HD13 LEU 37 3HD1 LEU 37 -11.404 13.528 -0.551 240 HD21 LEU 37 3HD2 LEU 37 -8.976 13.579 -2.484 241 HD22 LEU 37 1HD2 LEU 37 -7.772 12.992 -1.337 242 HD23 LEU 37 2HD2 LEU 37 -8.939 14.220 -0.841 243 H GLN 38 H GLN 38 -12.012 9.357 -0.389 244 HA GLN 38 HA GLN 38 -10.609 6.965 -0.897 245 HB2 GLN 38 2HB GLN 38 -12.991 8.220 -2.276 246 HB3 GLN 38 1HB GLN 38 -12.392 6.611 -2.659 247 HG2 GLN 38 2HG GLN 38 -12.836 5.876 -0.385 248 HG3 GLN 38 1HG GLN 38 -13.370 7.497 0.053 249 HE21 GLN 38 1HE2 GLN 38 -15.369 8.218 -0.653 250 HE22 GLN 38 2HE2 GLN 38 -16.570 7.147 -1.279 251 H VAL 39 H VAL 39 -10.071 6.126 -3.109 252 HA VAL 39 HA VAL 39 -9.077 8.119 -4.997 253 HB VAL 39 HB VAL 39 -7.262 7.945 -3.346 254 HG11 VAL 39 1HG1 VAL 39 -7.696 5.694 -2.522 255 HG12 VAL 39 2HG1 VAL 39 -6.023 5.843 -3.060 256 HG13 VAL 39 3HG1 VAL 39 -7.204 5.013 -4.073 257 HG21 VAL 39 3HG2 VAL 39 -6.573 6.646 -5.991 258 HG22 VAL 39 1HG2 VAL 39 -5.421 7.405 -4.890 259 HG23 VAL 39 2HG2 VAL 39 -6.663 8.379 -5.676 260 H CYS 40 H CYS 40 -8.791 7.328 -7.088 261 HA CYS 40 HA CYS 40 -9.585 4.526 -7.537 262 HB2 CYS 40 2HB CYS 40 -9.515 6.906 -9.404 263 HB3 CYS 40 1HB CYS 40 -9.835 5.261 -9.943 264 H GLY 41 H GLY 41 -8.191 3.043 -8.246 265 HA2 GLY 41 2HA GLY 41 -5.439 3.909 -8.867 266 HA3 GLY 41 1HA GLY 41 -5.913 2.315 -8.306 267 H SER 42 H SER 42 -4.253 2.207 -10.294 268 HA SER 42 HA SER 42 -5.211 2.432 -12.932 269 HB2 SER 42 2HB SER 42 -3.346 0.880 -13.519 270 HB3 SER 42 1HB SER 42 -2.833 2.211 -12.483 271 HG SER 42 HG SER 42 -2.237 -0.163 -12.003 272 H ASP 43 H ASP 43 -6.020 0.192 -10.513 273 HA ASP 43 HA ASP 43 -6.707 -2.033 -12.164 274 HB2 ASP 43 2HB ASP 43 -6.214 -2.063 -9.666 275 HB3 ASP 43 1HB ASP 43 -7.821 -1.388 -9.425 276 H GLY 44 H GLY 44 -8.192 0.989 -11.551 277 HA2 GLY 44 2HA GLY 44 -10.003 1.795 -12.862 278 HA3 GLY 44 1HA GLY 44 -10.573 0.148 -13.058 279 H ALA 45 H ALA 45 -10.012 0.047 -9.949 280 HA ALA 45 HA ALA 45 -12.761 0.822 -9.258 281 HB1 ALA 45 3HB ALA 45 -12.567 -0.750 -7.414 282 HB2 ALA 45 1HB ALA 45 -10.872 -1.035 -7.810 283 HB3 ALA 45 2HB ALA 45 -12.137 -1.529 -8.937 284 H THR 46 H THR 46 -13.259 1.878 -7.290 285 HA THR 46 HA THR 46 -11.243 3.752 -6.335 286 HB THR 46 HB THR 46 -14.121 3.438 -5.430 287 HG1 THR 46 HG1 THR 46 -12.960 4.767 -7.609 288 HG21 THR 46 3HG2 THR 46 -12.750 4.654 -3.813 289 HG22 THR 46 1HG2 THR 46 -13.868 5.754 -4.620 290 HG23 THR 46 2HG2 THR 46 -12.170 5.724 -5.091 291 H TYR 47 H TYR 47 -10.467 3.861 -4.218 292 HA TYR 47 HA TYR 47 -10.979 1.511 -2.506 293 HB2 TYR 47 2HB TYR 47 -8.384 3.051 -2.828 294 HB3 TYR 47 1HB TYR 47 -8.643 1.710 -1.714 295 HD1 TYR 47 HD1 TYR 47 -8.813 -0.583 -2.535 296 HD2 TYR 47 HD2 TYR 47 -8.175 2.656 -5.231 297 HE1 TYR 47 HE1 TYR 47 -8.213 -2.178 -4.307 298 HE2 TYR 47 HE2 TYR 47 -7.570 1.067 -7.004 299 HH TYR 47 HH TYR 47 -8.159 -2.262 -6.769 300 H ARG 48 H ARG 48 -10.574 1.877 -0.178 301 HA ARG 48 HA ARG 48 -12.282 3.784 0.849 302 HB2 ARG 48 2HB ARG 48 -11.112 1.633 1.883 303 HB3 ARG 48 1HB ARG 48 -10.017 2.824 2.564 304 HG2 ARG 48 2HG ARG 48 -13.011 2.809 2.950 305 HG3 ARG 48 1HG ARG 48 -11.842 2.147 4.091 306 HD2 ARG 48 2HD ARG 48 -12.065 5.038 3.231 307 HD3 ARG 48 1HD ARG 48 -12.582 4.365 4.776 308 HE ARG 48 HE ARG 48 -9.793 4.637 3.879 309 HH11 ARG 48 1HH1 ARG 48 -12.087 4.131 6.400 310 HH12 ARG 48 2HH1 ARG 48 -10.918 4.357 7.651 311 HH21 ARG 48 1HH2 ARG 48 -8.315 4.926 5.484 312 HH22 ARG 48 2HH2 ARG 48 -8.805 4.800 7.140 313 H ASP 49 H ASP 49 -8.740 3.988 0.628 314 HA ASP 49 HA ASP 49 -8.861 6.850 0.452 315 HB2 ASP 49 2HB ASP 49 -7.447 7.341 2.391 316 HB3 ASP 49 1HB ASP 49 -8.952 6.580 2.890 317 H GLU 50 H GLU 50 -6.446 7.724 0.560 318 HA GLU 50 HA GLU 50 -5.154 6.692 -1.690 319 HB2 GLU 50 2HB GLU 50 -4.918 8.966 -0.128 320 HB3 GLU 50 1HB GLU 50 -3.377 8.164 0.135 321 HG2 GLU 50 2HG GLU 50 -4.331 8.416 -2.665 322 HG3 GLU 50 1HG GLU 50 -3.796 9.880 -1.856 323 H CYS 51 H CYS 51 -4.277 6.309 1.755 324 HA CYS 51 HA CYS 51 -2.035 4.648 1.269 325 HB2 CYS 51 2HB CYS 51 -2.558 5.837 3.453 326 HB3 CYS 51 1HB CYS 51 -3.727 4.561 3.774 327 H GLU 52 H GLU 52 -5.445 3.928 1.885 328 HA GLU 52 HA GLU 52 -5.415 1.166 2.101 329 HB2 GLU 52 2HB GLU 52 -7.442 2.523 2.376 330 HB3 GLU 52 1HB GLU 52 -7.442 2.902 0.661 331 HG2 GLU 52 2HG GLU 52 -9.072 1.244 0.914 332 HG3 GLU 52 1HG GLU 52 -7.674 0.409 0.247 333 H LEU 53 H LEU 53 -5.373 3.138 -0.852 334 HA LEU 53 HA LEU 53 -5.506 1.114 -2.770 335 HB2 LEU 53 2HB LEU 53 -5.661 3.534 -3.237 336 HB3 LEU 53 1HB LEU 53 -3.959 3.719 -2.878 337 HG LEU 53 HG LEU 53 -4.834 1.894 -5.108 338 HD11 LEU 53 1HD1 LEU 53 -4.461 4.886 -5.329 339 HD12 LEU 53 2HD1 LEU 53 -5.982 4.012 -5.519 340 HD13 LEU 53 3HD1 LEU 53 -4.675 3.767 -6.677 341 HD21 LEU 53 3HD2 LEU 53 -2.654 2.524 -6.051 342 HD22 LEU 53 1HD2 LEU 53 -2.480 1.835 -4.438 343 HD23 LEU 53 2HD2 LEU 53 -2.358 3.578 -4.669 344 H ARG 54 H ARG 54 -2.584 2.636 -1.397 345 HA ARG 54 HA ARG 54 -0.742 0.906 -2.665 346 HB2 ARG 54 2HB ARG 54 -0.306 2.448 -0.092 347 HB3 ARG 54 1HB ARG 54 0.931 1.886 -1.212 348 HG2 ARG 54 2HG ARG 54 0.000 3.384 -2.944 349 HG3 ARG 54 1HG ARG 54 -1.165 3.983 -1.764 350 HD2 ARG 54 2HD ARG 54 0.843 4.622 -0.331 351 HD3 ARG 54 1HD ARG 54 1.831 4.320 -1.765 352 HE ARG 54 HE ARG 54 -0.424 6.182 -1.943 353 HH11 ARG 54 1HH1 ARG 54 2.997 5.667 -1.990 354 HH12 ARG 54 2HH1 ARG 54 3.317 7.246 -2.607 355 HH21 ARG 54 1HH2 ARG 54 0.008 8.191 -2.707 356 HH22 ARG 54 2HH2 ARG 54 1.647 8.665 -2.997 357 H ALA 55 H ALA 55 -2.525 0.644 0.336 358 HA ALA 55 HA ALA 55 -1.095 -1.555 1.443 359 HB1 ALA 55 3HB ALA 55 -2.554 -0.110 2.794 360 HB2 ALA 55 1HB ALA 55 -3.005 -1.809 2.938 361 HB3 ALA 55 2HB ALA 55 -3.963 -0.724 1.928 362 H ALA 56 H ALA 56 -4.035 -1.337 -0.566 363 HA ALA 56 HA ALA 56 -4.583 -4.102 -0.741 364 HB1 ALA 56 3HB ALA 56 -5.936 -3.533 -2.691 365 HB2 ALA 56 1HB ALA 56 -5.170 -1.947 -2.778 366 HB3 ALA 56 2HB ALA 56 -6.191 -2.357 -1.400 367 H ARG 57 H ARG 57 -2.544 -1.956 -2.650 368 HA ARG 57 HA ARG 57 -1.730 -3.648 -4.690 369 HB2 ARG 57 2HB ARG 57 -1.166 -1.321 -4.724 370 HB3 ARG 57 1HB ARG 57 -0.262 -1.453 -3.223 371 HG2 ARG 57 2HG ARG 57 1.434 -2.803 -4.343 372 HG3 ARG 57 1HG ARG 57 0.513 -2.725 -5.848 373 HD2 ARG 57 2HD ARG 57 0.822 -0.358 -5.998 374 HD3 ARG 57 1HD ARG 57 1.528 -0.294 -4.384 375 HE ARG 57 HE ARG 57 3.344 -1.749 -5.437 376 HH11 ARG 57 1HH1 ARG 57 1.534 0.543 -7.253 377 HH12 ARG 57 2HH1 ARG 57 2.880 0.986 -8.240 378 HH21 ARG 57 1HH2 ARG 57 5.039 -1.222 -6.727 379 HH22 ARG 57 2HH2 ARG 57 4.855 -0.011 -7.948 380 H CYS 58 H CYS 58 -0.195 -3.230 -1.480 381 HA CYS 58 HA CYS 58 1.684 -5.369 -1.993 382 HB2 CYS 58 2HB CYS 58 1.157 -3.660 0.438 383 HB3 CYS 58 1HB CYS 58 2.338 -4.969 0.431 384 H ARG 59 H ARG 59 -1.487 -5.559 -1.384 385 HA ARG 59 HA ARG 59 -1.223 -7.993 0.256 386 HB2 ARG 59 2HB ARG 59 -3.556 -6.166 -0.282 387 HB3 ARG 59 1HB ARG 59 -3.807 -7.805 0.308 388 HG2 ARG 59 2HG ARG 59 -2.493 -7.334 2.292 389 HG3 ARG 59 1HG ARG 59 -2.128 -5.714 1.695 390 HD2 ARG 59 2HD ARG 59 -4.919 -6.725 2.264 391 HD3 ARG 59 1HD ARG 59 -3.948 -5.798 3.410 392 HE ARG 59 HE ARG 59 -4.079 -4.398 0.985 393 HH11 ARG 59 1HH1 ARG 59 -6.117 -5.284 3.622 394 HH12 ARG 59 2HH1 ARG 59 -7.141 -3.907 3.430 395 HH21 ARG 59 1HH2 ARG 59 -5.389 -2.619 0.785 396 HH22 ARG 59 2HH2 ARG 59 -6.711 -2.398 1.872 397 H GLY 60 H GLY 60 -0.257 -8.354 -2.213 398 HA2 GLY 60 2HA GLY 60 -0.396 -10.282 -3.549 399 HA3 GLY 60 1HA GLY 60 -2.105 -10.401 -3.187 400 H HIS 61 H HIS 61 -1.471 -7.238 -4.134 401 HA HIS 61 HA HIS 61 -1.865 -7.861 -6.991 402 HB2 HIS 61 2HB HIS 61 -4.063 -7.449 -5.823 403 HB3 HIS 61 1HB HIS 61 -3.516 -5.810 -5.496 404 HD1 HIS 61 HD1 HIS 61 -4.178 -8.072 -8.473 405 HD2 HIS 61 HD2 HIS 61 -4.123 -4.038 -7.476 406 HE1 HIS 61 HE1 HIS 61 -5.047 -6.867 -10.490 407 HE2 HIS 61 HE2 HIS 61 -5.225 -4.468 -9.774 408 HA PRO 62 HA PRO 62 1.347 -4.497 -6.311 409 HB2 PRO 62 2HB PRO 62 2.882 -6.059 -8.291 410 HB3 PRO 62 1HB PRO 62 3.360 -5.508 -6.682 411 HG2 PRO 62 2HG PRO 62 2.880 -8.101 -7.190 412 HG3 PRO 62 1HG PRO 62 2.462 -7.364 -5.631 413 HD2 PRO 62 2HD PRO 62 0.677 -7.977 -7.972 414 HD3 PRO 62 1HD PRO 62 0.395 -8.260 -6.240 415 H ASP 63 H ASP 63 -0.511 -5.676 -8.861 416 HA ASP 63 HA ASP 63 0.469 -4.166 -11.060 417 HB2 ASP 63 2HB ASP 63 -2.408 -5.006 -10.777 418 HB3 ASP 63 1HB ASP 63 -1.399 -4.973 -12.222 419 H LEU 64 H LEU 64 -1.017 -3.125 -8.266 420 HA LEU 64 HA LEU 64 -2.829 -1.187 -9.425 421 HB2 LEU 64 2HB LEU 64 -3.425 -2.467 -7.423 422 HB3 LEU 64 1HB LEU 64 -2.082 -1.749 -6.555 423 HG LEU 64 HG LEU 64 -3.139 0.453 -6.687 424 HD11 LEU 64 1HD1 LEU 64 -4.289 0.227 -8.816 425 HD12 LEU 64 2HD1 LEU 64 -5.427 0.687 -7.551 426 HD13 LEU 64 3HD1 LEU 64 -5.374 -0.980 -8.126 427 HD21 LEU 64 3HD2 LEU 64 -5.021 -1.682 -5.675 428 HD22 LEU 64 1HD2 LEU 64 -5.021 0.017 -5.198 429 HD23 LEU 64 2HD2 LEU 64 -3.648 -1.012 -4.792 430 H SER 65 H SER 65 -2.408 0.862 -9.839 431 HA SER 65 HA SER 65 -0.233 2.269 -8.407 432 HB2 SER 65 2HB SER 65 -1.010 2.597 -11.326 433 HB3 SER 65 1HB SER 65 0.172 3.590 -10.474 434 HG SER 65 HG SER 65 0.377 0.994 -11.440 435 H VAL 66 H VAL 66 -0.587 4.582 -8.118 436 HA VAL 66 HA VAL 66 -3.398 5.197 -7.701 437 HB VAL 66 HB VAL 66 -1.832 5.806 -5.945 438 HG11 VAL 66 1HG1 VAL 66 -0.150 7.564 -6.242 439 HG12 VAL 66 2HG1 VAL 66 -0.541 7.650 -7.959 440 HG13 VAL 66 3HG1 VAL 66 0.170 6.181 -7.291 441 HG21 VAL 66 3HG2 VAL 66 -2.965 8.261 -7.297 442 HG22 VAL 66 1HG2 VAL 66 -2.486 8.142 -5.604 443 HG23 VAL 66 2HG2 VAL 66 -3.838 7.183 -6.207 444 H MET 67 H MET 67 -4.663 6.272 -9.111 445 HA MET 67 HA MET 67 -3.381 7.707 -11.341 446 HB2 MET 67 2HB MET 67 -6.171 6.599 -11.016 447 HB3 MET 67 1HB MET 67 -5.703 7.634 -12.360 448 HG2 MET 67 2HG MET 67 -4.572 4.925 -11.686 449 HG3 MET 67 1HG MET 67 -5.616 5.336 -13.049 450 HE1 MET 67 3HE MET 67 -3.032 3.739 -13.654 451 HE2 MET 67 1HE MET 67 -2.347 4.652 -14.999 452 HE3 MET 67 2HE MET 67 -4.089 4.388 -14.908 453 H TYR 68 H TYR 68 -6.298 8.182 -9.293 454 HA TYR 68 HA TYR 68 -5.514 10.922 -8.800 455 HB2 TYR 68 2HB TYR 68 -7.521 11.975 -9.698 456 HB3 TYR 68 1HB TYR 68 -6.652 11.138 -10.974 457 HD1 TYR 68 HD2 TYR 68 -7.614 9.121 -12.019 458 HD2 TYR 68 HD1 TYR 68 -9.732 11.259 -9.001 459 HE1 TYR 68 HE2 TYR 68 -9.692 7.980 -12.671 460 HE2 TYR 68 HE1 TYR 68 -11.815 10.124 -9.652 461 HH TYR 68 HH TYR 68 -11.872 7.418 -11.735 462 H ARG 69 H ARG 69 -6.544 11.880 -7.047 463 HA ARG 69 HA ARG 69 -7.672 9.984 -5.170 464 HB2 ARG 69 2HB ARG 69 -6.936 12.905 -4.871 465 HB3 ARG 69 1HB ARG 69 -7.486 11.872 -3.556 466 HG2 ARG 69 2HG ARG 69 -5.546 10.431 -3.842 467 HG3 ARG 69 1HG ARG 69 -5.005 11.406 -5.209 468 HD2 ARG 69 2HD ARG 69 -4.735 13.336 -3.743 469 HD3 ARG 69 1HD ARG 69 -5.321 12.393 -2.372 470 HE ARG 69 HE ARG 69 -3.253 10.917 -3.123 471 HH11 ARG 69 1HH1 ARG 69 -3.461 14.355 -2.824 472 HH12 ARG 69 2HH1 ARG 69 -1.802 14.503 -2.350 473 HH21 ARG 69 1HH2 ARG 69 -1.146 11.141 -2.545 474 HH22 ARG 69 2HH2 ARG 69 -0.512 12.721 -2.214 475 H GLY 70 H GLY 70 -9.762 9.569 -5.167 476 HA2 GLY 70 2HA GLY 70 -11.892 11.039 -4.568 477 HA3 GLY 70 1HA GLY 70 -11.677 11.481 -6.258 478 H ARG 71 H ARG 71 -14.009 10.425 -5.882 479 HA ARG 71 HA ARG 71 -13.975 7.531 -6.072 480 HB2 ARG 71 2HB ARG 71 -16.268 9.477 -6.405 481 HB3 ARG 71 1HB ARG 71 -16.415 7.729 -6.266 482 HG2 ARG 71 2HG ARG 71 -15.429 7.852 -4.002 483 HG3 ARG 71 1HG ARG 71 -15.376 9.610 -4.146 484 HD2 ARG 71 2HD ARG 71 -17.331 8.944 -2.877 485 HD3 ARG 71 1HD ARG 71 -17.823 9.646 -4.417 486 HE ARG 71 HE ARG 71 -17.629 6.834 -4.654 487 HH11 ARG 71 1HH1 ARG 71 -19.614 9.286 -3.267 488 HH12 ARG 71 2HH1 ARG 71 -21.040 8.313 -3.322 489 HH21 ARG 71 1HH2 ARG 71 -19.485 5.596 -4.713 490 HH22 ARG 71 2HH2 ARG 71 -20.970 6.258 -4.123 491 H CYS 72 H CYS 72 -14.362 6.293 -7.886 492 HA CYS 72 HA CYS 72 -13.484 7.295 -10.363 493 HB2 CYS 72 2HB CYS 72 -14.954 4.730 -9.725 494 HB3 CYS 72 1HB CYS 72 -14.241 5.095 -11.293 495 H ARG 73 H ARG 73 -14.554 8.810 -11.445 496 HA ARG 73 HA ARG 73 -17.472 8.819 -11.511 497 HB2 ARG 73 2HB ARG 73 -15.446 10.806 -12.555 498 HB3 ARG 73 1HB ARG 73 -17.190 11.019 -12.649 499 HG2 ARG 73 2HG ARG 73 -17.328 10.992 -10.202 500 HG3 ARG 73 1HG ARG 73 -15.577 10.782 -10.105 501 HD2 ARG 73 2HD ARG 73 -15.259 12.929 -11.244 502 HD3 ARG 73 1HD ARG 73 -17.007 13.132 -11.355 503 HE ARG 73 HE ARG 73 -16.562 12.837 -8.691 504 HH11 ARG 73 1HH1 ARG 73 -15.248 14.927 -11.102 505 HH12 ARG 73 2HH1 ARG 73 -15.017 16.238 -9.996 506 HH21 ARG 73 1HH2 ARG 73 -16.235 14.531 -7.272 507 HH22 ARG 73 2HH2 ARG 73 -15.562 16.012 -7.861 508 H LYS 74 H LYS 74 -18.672 8.158 -13.164 509 HA LYS 74 HA LYS 74 -17.441 7.775 -15.818 510 HB2 LYS 74 2HB LYS 74 -19.492 6.296 -16.220 511 HB3 LYS 74 1HB LYS 74 -18.278 5.684 -15.107 512 HG2 LYS 74 2HG LYS 74 -19.624 6.013 -13.242 513 HG3 LYS 74 1HG LYS 74 -20.641 7.199 -14.057 514 HD2 LYS 74 2HD LYS 74 -20.583 4.335 -14.971 515 HD3 LYS 74 1HD LYS 74 -21.585 4.825 -13.607 516 HE2 LYS 74 2HE LYS 74 -22.859 4.818 -15.706 517 HE3 LYS 74 1HE LYS 74 -22.758 6.434 -15.013 518 HZ1 LYS 74 3HZ LYS 74 -22.411 6.376 -17.436 519 HZ2 LYS 74 1HZ LYS 74 -21.022 5.438 -17.210 520 HZ3 LYS 74 2HZ LYS 74 -21.088 7.023 -16.609 Start of MODEL 3 1 H1 SER 1 1H SER 1 14.984 0.880 20.626 2 H2 SER 1 2H SER 1 16.160 0.949 21.840 3 H3 SER 1 3H SER 1 15.869 -0.505 21.021 4 HA SER 1 HA SER 1 16.930 1.970 19.785 5 HB2 SER 1 2HB SER 1 18.377 -0.623 20.422 6 HB3 SER 1 1HB SER 1 19.079 0.816 19.685 7 HG SER 1 HG SER 1 19.527 1.296 21.694 8 H ASP 2 H ASP 2 15.840 1.972 17.873 9 HA ASP 2 HA ASP 2 14.797 -0.291 16.600 10 HB2 ASP 2 2HB ASP 2 15.380 2.460 15.490 11 HB3 ASP 2 1HB ASP 2 14.429 1.234 14.653 12 H SER 3 H SER 3 16.240 -1.883 16.218 13 HA SER 3 HA SER 3 17.669 -1.649 13.702 14 HB2 SER 3 2HB SER 3 19.049 -2.503 16.261 15 HB3 SER 3 1HB SER 3 19.662 -2.915 14.660 16 HG SER 3 HG SER 3 19.069 -0.230 15.244 17 H CYS 4 H CYS 4 17.113 -3.376 12.491 18 HA CYS 4 HA CYS 4 15.675 -5.539 13.868 19 HB2 CYS 4 2HB CYS 4 15.657 -4.722 10.953 20 HB3 CYS 4 1HB CYS 4 14.654 -5.982 11.671 21 H ASP 5 H ASP 5 16.344 -7.604 13.882 22 HA ASP 5 HA ASP 5 19.028 -8.207 13.168 23 HB2 ASP 5 2HB ASP 5 16.816 -10.106 13.985 24 HB3 ASP 5 1HB ASP 5 18.545 -10.430 14.053 25 H GLY 6 H GLY 6 19.684 -8.545 11.114 26 HA2 GLY 6 2HA GLY 6 19.789 -9.326 8.954 27 HA3 GLY 6 1HA GLY 6 19.054 -10.775 9.614 28 H VAL 7 H VAL 7 17.563 -7.566 9.349 29 HA VAL 7 HA VAL 7 15.461 -8.788 7.683 30 HB VAL 7 HB VAL 7 15.331 -6.362 9.491 31 HG11 VAL 7 1HG1 VAL 7 13.907 -6.036 7.535 32 HG12 VAL 7 2HG1 VAL 7 12.930 -6.312 8.977 33 HG13 VAL 7 3HG1 VAL 7 13.155 -7.607 7.801 34 HG21 VAL 7 3HG2 VAL 7 15.375 -8.478 10.707 35 HG22 VAL 7 1HG2 VAL 7 14.050 -9.095 9.718 36 HG23 VAL 7 2HG2 VAL 7 13.778 -7.739 10.812 37 H GLU 8 H GLU 8 14.950 -7.990 5.713 38 HA GLU 8 HA GLU 8 16.442 -5.625 4.753 39 HB2 GLU 8 2HB GLU 8 15.487 -8.071 3.246 40 HB3 GLU 8 1HB GLU 8 16.227 -6.665 2.487 41 HG2 GLU 8 2HG GLU 8 18.306 -7.067 3.582 42 HG3 GLU 8 1HG GLU 8 17.592 -8.300 4.619 43 H CYS 9 H CYS 9 15.106 -3.930 4.796 44 HA CYS 9 HA CYS 9 12.393 -4.190 3.633 45 HB2 CYS 9 2HB CYS 9 13.202 -2.348 5.902 46 HB3 CYS 9 1HB CYS 9 11.587 -2.527 5.229 47 H GLY 10 H GLY 10 11.555 -1.745 3.209 48 HA2 GLY 10 2HA GLY 10 12.985 0.438 2.689 49 HA3 GLY 10 1HA GLY 10 13.518 -0.593 1.375 50 HA PRO 11 HA PRO 11 10.136 1.231 -0.857 51 HB2 PRO 11 2HB PRO 11 10.128 -0.360 -3.050 52 HB3 PRO 11 1HB PRO 11 11.396 0.833 -2.748 53 HG2 PRO 11 2HG PRO 11 11.419 -2.122 -2.238 54 HG3 PRO 11 1HG PRO 11 12.682 -1.105 -2.961 55 HD2 PRO 11 2HD PRO 11 12.742 -1.902 -0.361 56 HD3 PRO 11 1HD PRO 11 13.423 -0.353 -0.901 57 H GLY 12 H GLY 12 8.518 0.584 0.741 58 HA2 GLY 12 2HA GLY 12 6.239 -0.143 0.670 59 HA3 GLY 12 1HA GLY 12 6.722 -1.492 -0.341 60 H LYS 13 H LYS 13 8.970 -1.278 2.116 61 HA LYS 13 HA LYS 13 7.360 -2.854 4.017 62 HB2 LYS 13 2HB LYS 13 10.060 -3.646 2.918 63 HB3 LYS 13 1HB LYS 13 9.377 -4.340 4.380 64 HG2 LYS 13 2HG LYS 13 7.413 -5.081 2.993 65 HG3 LYS 13 1HG LYS 13 8.331 -4.580 1.571 66 HD2 LYS 13 2HD LYS 13 9.142 -6.675 3.599 67 HD3 LYS 13 1HD LYS 13 8.639 -6.962 1.934 68 HE2 LYS 13 2HE LYS 13 10.605 -5.789 1.112 69 HE3 LYS 13 1HE LYS 13 11.093 -5.401 2.760 70 HZ1 LYS 13 3HZ LYS 13 10.939 -8.110 1.554 71 HZ2 LYS 13 1HZ LYS 13 11.297 -7.801 3.178 72 HZ3 LYS 13 2HZ LYS 13 12.344 -7.266 1.968 73 H ALA 14 H ALA 14 7.691 -2.408 6.105 74 HA ALA 14 HA ALA 14 10.202 -1.096 6.940 75 HB1 ALA 14 3HB ALA 14 8.952 0.275 8.537 76 HB2 ALA 14 1HB ALA 14 7.436 -0.405 7.948 77 HB3 ALA 14 2HB ALA 14 8.425 0.597 6.886 78 H CYS 15 H CYS 15 11.030 -1.812 8.941 79 HA CYS 15 HA CYS 15 9.727 -4.257 9.947 80 HB2 CYS 15 2HB CYS 15 11.880 -5.022 10.705 81 HB3 CYS 15 1HB CYS 15 12.007 -4.539 9.019 82 H ARG 16 H ARG 16 9.151 -4.501 12.019 83 HA ARG 16 HA ARG 16 9.919 -2.420 13.967 84 HB2 ARG 16 2HB ARG 16 7.595 -2.075 13.224 85 HB3 ARG 16 1HB ARG 16 7.199 -3.727 13.672 86 HG2 ARG 16 2HG ARG 16 6.387 -2.212 15.363 87 HG3 ARG 16 1HG ARG 16 7.702 -3.181 16.031 88 HD2 ARG 16 2HD ARG 16 7.930 -0.861 16.726 89 HD3 ARG 16 1HD ARG 16 9.257 -1.309 15.657 90 HE ARG 16 HE ARG 16 6.982 -0.005 14.403 91 HH11 ARG 16 1HH1 ARG 16 10.162 0.307 15.693 92 HH12 ARG 16 2HH1 ARG 16 10.439 1.834 14.932 93 HH21 ARG 16 1HH2 ARG 16 7.345 1.962 13.445 94 HH22 ARG 16 2HH2 ARG 16 8.862 2.764 13.684 95 H MET 17 H MET 17 10.512 -3.126 15.982 96 HA MET 17 HA MET 17 10.997 -5.935 16.369 97 HB2 MET 17 2HB MET 17 11.386 -3.551 18.190 98 HB3 MET 17 1HB MET 17 11.851 -5.193 18.617 99 HG2 MET 17 2HG MET 17 12.922 -3.613 16.285 100 HG3 MET 17 1HG MET 17 13.753 -3.894 17.816 101 HE1 MET 17 3HE MET 17 12.867 -6.939 18.392 102 HE2 MET 17 1HE MET 17 14.501 -6.336 18.654 103 HE3 MET 17 2HE MET 17 14.245 -7.806 17.713 104 H LEU 18 H LEU 18 9.457 -7.326 16.970 105 HA LEU 18 HA LEU 18 7.406 -6.446 18.910 106 HB2 LEU 18 2HB LEU 18 7.063 -8.389 16.615 107 HB3 LEU 18 1HB LEU 18 5.834 -7.991 17.801 108 HG LEU 18 HG LEU 18 7.034 -6.047 15.815 109 HD11 LEU 18 1HD1 LEU 18 4.830 -6.130 14.734 110 HD12 LEU 18 2HD1 LEU 18 4.335 -7.399 15.856 111 HD13 LEU 18 3HD1 LEU 18 5.640 -7.695 14.709 112 HD21 LEU 18 3HD2 LEU 18 5.272 -4.520 16.559 113 HD22 LEU 18 1HD2 LEU 18 6.344 -4.950 17.890 114 HD23 LEU 18 2HD2 LEU 18 4.750 -5.695 17.766 115 H GLY 19 H GLY 19 7.734 -7.416 20.799 116 HA2 GLY 19 2HA GLY 19 8.075 -9.039 22.386 117 HA3 GLY 19 1HA GLY 19 7.612 -10.200 21.156 118 H GLY 20 H GLY 20 10.414 -8.080 20.843 119 HA2 GLY 20 2HA GLY 20 12.682 -8.585 21.271 120 HA3 GLY 20 1HA GLY 20 12.240 -10.253 21.587 121 H ARG 21 H ARG 21 10.629 -9.945 18.885 122 HA ARG 21 HA ARG 21 12.968 -10.340 17.124 123 HB2 ARG 21 2HB ARG 21 10.449 -11.974 17.346 124 HB3 ARG 21 1HB ARG 21 11.380 -11.955 15.851 125 HG2 ARG 21 2HG ARG 21 13.364 -12.721 17.099 126 HG3 ARG 21 1HG ARG 21 12.396 -12.789 18.571 127 HD2 ARG 21 2HD ARG 21 11.098 -14.579 17.762 128 HD3 ARG 21 1HD ARG 21 11.626 -14.324 16.098 129 HE ARG 21 HE ARG 21 13.850 -15.106 16.830 130 HH11 ARG 21 1HH1 ARG 21 11.088 -15.971 18.705 131 HH12 ARG 21 2HH1 ARG 21 11.835 -17.389 19.349 132 HH21 ARG 21 1HH2 ARG 21 14.783 -16.929 17.652 133 HH22 ARG 21 2HH2 ARG 21 13.914 -17.913 18.778 134 HA PRO 22 HA PRO 22 11.058 -7.193 14.676 135 HB2 PRO 22 2HB PRO 22 12.770 -7.141 12.625 136 HB3 PRO 22 1HB PRO 22 13.281 -6.680 14.255 137 HG2 PRO 22 2HG PRO 22 13.716 -9.264 12.794 138 HG3 PRO 22 1HG PRO 22 14.851 -8.341 13.798 139 HD2 PRO 22 2HD PRO 22 13.408 -10.530 14.678 140 HD3 PRO 22 1HD PRO 22 14.070 -9.270 15.737 141 H ARG 23 H ARG 23 9.580 -6.967 13.076 142 HA ARG 23 HA ARG 23 9.292 -9.105 11.044 143 HB2 ARG 23 2HB ARG 23 7.148 -7.545 12.504 144 HB3 ARG 23 1HB ARG 23 6.830 -8.421 11.013 145 HG2 ARG 23 2HG ARG 23 7.438 -10.511 12.071 146 HG3 ARG 23 1HG ARG 23 7.857 -9.664 13.561 147 HD2 ARG 23 2HD ARG 23 5.606 -10.758 13.580 148 HD3 ARG 23 1HD ARG 23 5.586 -9.032 13.930 149 HE ARG 23 HE ARG 23 4.537 -8.635 11.881 150 HH11 ARG 23 1HH1 ARG 23 5.285 -11.985 12.252 151 HH12 ARG 23 2HH1 ARG 23 4.193 -12.475 11.006 152 HH21 ARG 23 1HH2 ARG 23 3.118 -9.284 10.312 153 HH22 ARG 23 2HH2 ARG 23 2.980 -10.964 9.920 154 H CYS 24 H CYS 24 9.373 -8.413 8.954 155 HA CYS 24 HA CYS 24 9.213 -5.505 8.443 156 HB2 CYS 24 2HB CYS 24 11.221 -6.863 7.625 157 HB3 CYS 24 1HB CYS 24 10.124 -7.628 6.483 158 H GLU 25 H GLU 25 7.371 -4.720 7.587 159 HA GLU 25 HA GLU 25 5.587 -6.543 6.123 160 HB2 GLU 25 2HB GLU 25 4.748 -4.840 8.484 161 HB3 GLU 25 1HB GLU 25 3.648 -5.742 7.446 162 HG2 GLU 25 2HG GLU 25 4.891 -7.826 8.103 163 HG3 GLU 25 1HG GLU 25 5.754 -6.854 9.291 164 H CYS 26 H CYS 26 3.778 -5.426 5.059 165 HA CYS 26 HA CYS 26 4.765 -3.594 3.235 166 HB2 CYS 26 2HB CYS 26 1.903 -4.251 3.933 167 HB3 CYS 26 1HB CYS 26 2.371 -3.282 2.540 168 H ALA 27 H ALA 27 5.480 -1.631 3.699 169 HA ALA 27 HA ALA 27 3.907 0.161 5.408 170 HB1 ALA 27 3HB ALA 27 6.288 -0.022 5.927 171 HB2 ALA 27 1HB ALA 27 5.888 1.610 5.394 172 HB3 ALA 27 2HB ALA 27 6.697 0.496 4.292 173 HA PRO 28 HA PRO 28 2.450 1.984 1.548 174 HB2 PRO 28 2HB PRO 28 0.533 3.548 2.581 175 HB3 PRO 28 1HB PRO 28 0.372 1.789 2.546 176 HG2 PRO 28 2HG PRO 28 1.141 3.575 4.823 177 HG3 PRO 28 1HG PRO 28 0.074 2.159 4.823 178 HD2 PRO 28 2HD PRO 28 2.728 2.132 5.619 179 HD3 PRO 28 1HD PRO 28 1.825 0.704 5.074 180 H ASP 29 H ASP 29 3.313 3.616 0.415 181 HA ASP 29 HA ASP 29 4.866 5.684 1.574 182 HB2 ASP 29 2HB ASP 29 3.734 5.817 -1.219 183 HB3 ASP 29 1HB ASP 29 5.271 6.439 -0.629 184 H CYS 30 H CYS 30 3.326 6.674 3.098 185 HA CYS 30 HA CYS 30 1.876 8.859 1.816 186 HB2 CYS 30 2HB CYS 30 -0.211 8.478 2.954 187 HB3 CYS 30 1HB CYS 30 0.217 7.020 2.069 188 H SER 31 H SER 31 2.436 10.668 2.764 189 HA SER 31 HA SER 31 2.374 10.870 5.682 190 HB2 SER 31 2HB SER 31 4.748 11.717 3.997 191 HB3 SER 31 1HB SER 31 4.477 12.288 5.643 192 HG SER 31 HG SER 31 4.444 9.523 5.146 193 H GLY 32 H GLY 32 3.007 12.747 2.697 194 HA2 GLY 32 2HA GLY 32 1.501 15.008 3.806 195 HA3 GLY 32 1HA GLY 32 2.475 15.022 2.346 196 H LEU 33 H LEU 33 -0.283 13.020 3.425 197 HA LEU 33 HA LEU 33 -2.024 14.143 1.426 198 HB2 LEU 33 2HB LEU 33 -2.432 12.063 0.194 199 HB3 LEU 33 1HB LEU 33 -0.774 12.599 0.028 200 HG LEU 33 HG LEU 33 -0.339 10.875 1.988 201 HD11 LEU 33 1HD1 LEU 33 -2.658 10.293 2.405 202 HD12 LEU 33 2HD1 LEU 33 -1.775 8.887 1.814 203 HD13 LEU 33 3HD1 LEU 33 -2.854 9.769 0.732 204 HD21 LEU 33 3HD2 LEU 33 0.669 10.748 -0.221 205 HD22 LEU 33 1HD2 LEU 33 -0.805 10.042 -0.878 206 HD23 LEU 33 2HD2 LEU 33 0.145 9.150 0.310 207 HA PRO 34 HA PRO 34 -4.870 12.974 4.565 208 HB2 PRO 34 2HB PRO 34 -7.222 13.387 3.331 209 HB3 PRO 34 1HB PRO 34 -6.117 14.719 3.695 210 HG2 PRO 34 2HG PRO 34 -6.545 13.269 1.104 211 HG3 PRO 34 1HG PRO 34 -6.365 15.010 1.394 212 HD2 PRO 34 2HD PRO 34 -4.323 13.386 0.528 213 HD3 PRO 34 1HD PRO 34 -4.072 14.887 1.443 214 H ALA 35 H ALA 35 -5.126 10.921 5.271 215 HA ALA 35 HA ALA 35 -6.017 8.772 3.537 216 HB1 ALA 35 3HB ALA 35 -5.586 8.792 6.530 217 HB2 ALA 35 1HB ALA 35 -4.369 8.375 5.323 218 HB3 ALA 35 2HB ALA 35 -5.800 7.364 5.517 219 H ARG 36 H ARG 36 -7.897 10.824 3.587 220 HA ARG 36 HA ARG 36 -10.147 9.737 5.163 221 HB2 ARG 36 2HB ARG 36 -9.578 12.683 4.738 222 HB3 ARG 36 1HB ARG 36 -10.850 11.986 5.735 223 HG2 ARG 36 2HG ARG 36 -9.278 11.182 7.330 224 HG3 ARG 36 1HG ARG 36 -7.919 11.547 6.268 225 HD2 ARG 36 2HD ARG 36 -8.565 13.971 6.434 226 HD3 ARG 36 1HD ARG 36 -9.734 13.505 7.673 227 HE ARG 36 HE ARG 36 -7.543 12.476 8.715 228 HH11 ARG 36 1HH1 ARG 36 -7.950 15.533 7.180 229 HH12 ARG 36 2HH1 ARG 36 -6.722 16.294 8.126 230 HH21 ARG 36 1HH2 ARG 36 -5.958 13.453 9.915 231 HH22 ARG 36 2HH2 ARG 36 -5.595 15.125 9.650 232 H LEU 37 H LEU 37 -9.110 10.018 2.156 233 HA LEU 37 HA LEU 37 -11.771 10.578 1.032 234 HB2 LEU 37 2HB LEU 37 -10.492 12.628 0.757 235 HB3 LEU 37 1HB LEU 37 -9.155 11.739 0.054 236 HG LEU 37 HG LEU 37 -10.572 11.170 -1.901 237 HD11 LEU 37 1HD1 LEU 37 -12.704 12.358 -2.224 238 HD12 LEU 37 2HD1 LEU 37 -12.603 12.965 -0.571 239 HD13 LEU 37 3HD1 LEU 37 -12.762 11.233 -0.867 240 HD21 LEU 37 3HD2 LEU 37 -10.386 14.124 -1.306 241 HD22 LEU 37 1HD2 LEU 37 -10.581 13.400 -2.904 242 HD23 LEU 37 2HD2 LEU 37 -9.106 13.117 -1.980 243 H GLN 38 H GLN 38 -12.411 9.030 -0.371 244 HA GLN 38 HA GLN 38 -10.794 6.755 -0.864 245 HB2 GLN 38 2HB GLN 38 -13.405 7.572 -2.158 246 HB3 GLN 38 1HB GLN 38 -12.659 5.985 -2.308 247 HG2 GLN 38 2HG GLN 38 -12.846 5.721 0.155 248 HG3 GLN 38 1HG GLN 38 -13.713 7.257 0.215 249 HE21 GLN 38 1HE2 GLN 38 -13.865 3.921 -0.722 250 HE22 GLN 38 2HE2 GLN 38 -15.566 3.866 -1.010 251 H VAL 39 H VAL 39 -9.933 5.934 -2.788 252 HA VAL 39 HA VAL 39 -9.608 7.846 -5.013 253 HB VAL 39 HB VAL 39 -7.264 7.208 -5.275 254 HG11 VAL 39 1HG1 VAL 39 -7.891 8.167 -2.479 255 HG12 VAL 39 2HG1 VAL 39 -7.753 9.169 -3.924 256 HG13 VAL 39 3HG1 VAL 39 -6.336 8.331 -3.294 257 HG21 VAL 39 3HG2 VAL 39 -7.654 5.583 -2.754 258 HG22 VAL 39 1HG2 VAL 39 -6.102 5.897 -3.535 259 HG23 VAL 39 2HG2 VAL 39 -7.334 4.952 -4.369 260 H CYS 40 H CYS 40 -9.410 6.954 -7.070 261 HA CYS 40 HA CYS 40 -10.252 4.141 -7.291 262 HB2 CYS 40 2HB CYS 40 -11.648 5.889 -8.393 263 HB3 CYS 40 1HB CYS 40 -10.274 6.307 -9.412 264 H GLY 41 H GLY 41 -8.696 2.691 -7.687 265 HA2 GLY 41 2HA GLY 41 -6.066 3.566 -8.558 266 HA3 GLY 41 1HA GLY 41 -6.511 1.953 -8.029 267 H SER 42 H SER 42 -4.811 2.156 -10.094 268 HA SER 42 HA SER 42 -5.743 2.348 -12.699 269 HB2 SER 42 2HB SER 42 -3.674 0.349 -11.744 270 HB3 SER 42 1HB SER 42 -3.808 1.055 -13.355 271 HG SER 42 HG SER 42 -2.839 2.803 -12.679 272 H ASP 43 H ASP 43 -6.212 -0.215 -10.411 273 HA ASP 43 HA ASP 43 -6.961 -2.268 -12.236 274 HB2 ASP 43 2HB ASP 43 -6.170 -2.875 -10.058 275 HB3 ASP 43 1HB ASP 43 -7.382 -1.872 -9.271 276 H GLY 44 H GLY 44 -8.638 0.456 -10.942 277 HA2 GLY 44 2HA GLY 44 -10.761 1.217 -11.651 278 HA3 GLY 44 1HA GLY 44 -11.150 -0.412 -12.183 279 H ALA 45 H ALA 45 -9.760 -0.363 -9.098 280 HA ALA 45 HA ALA 45 -12.384 -0.758 -7.828 281 HB1 ALA 45 3HB ALA 45 -11.181 -1.933 -6.067 282 HB2 ALA 45 1HB ALA 45 -9.641 -1.539 -6.833 283 HB3 ALA 45 2HB ALA 45 -10.785 -2.605 -7.648 284 H THR 46 H THR 46 -13.034 0.392 -6.030 285 HA THR 46 HA THR 46 -11.712 2.949 -5.597 286 HB THR 46 HB THR 46 -14.264 1.900 -4.331 287 HG1 THR 46 HG1 THR 46 -15.208 2.399 -6.150 288 HG21 THR 46 3HG2 THR 46 -13.199 4.723 -4.574 289 HG22 THR 46 1HG2 THR 46 -13.231 3.763 -3.096 290 HG23 THR 46 2HG2 THR 46 -14.742 4.254 -3.860 291 H TYR 47 H TYR 47 -9.995 2.886 -4.228 292 HA TYR 47 HA TYR 47 -10.076 1.253 -1.804 293 HB2 TYR 47 2HB TYR 47 -7.912 3.143 -2.780 294 HB3 TYR 47 1HB TYR 47 -7.761 1.973 -1.471 295 HD1 TYR 47 HD1 TYR 47 -7.876 -0.496 -2.023 296 HD2 TYR 47 HD2 TYR 47 -7.568 2.495 -5.035 297 HE1 TYR 47 HE1 TYR 47 -7.154 -2.205 -3.637 298 HE2 TYR 47 HE2 TYR 47 -6.835 0.797 -6.654 299 HH TYR 47 HH TYR 47 -5.699 -1.496 -6.536 300 H ARG 48 H ARG 48 -9.976 2.137 0.330 301 HA ARG 48 HA ARG 48 -11.713 4.297 0.721 302 HB2 ARG 48 2HB ARG 48 -11.199 4.115 3.099 303 HB3 ARG 48 1HB ARG 48 -11.430 2.528 2.380 304 HG2 ARG 48 2HG ARG 48 -9.058 2.133 2.360 305 HG3 ARG 48 1HG ARG 48 -8.740 3.778 2.912 306 HD2 ARG 48 2HD ARG 48 -10.005 3.262 4.997 307 HD3 ARG 48 1HD ARG 48 -10.152 1.592 4.446 308 HE ARG 48 HE ARG 48 -7.804 1.340 4.706 309 HH11 ARG 48 1HH1 ARG 48 -8.993 4.365 5.845 310 HH12 ARG 48 2HH1 ARG 48 -7.623 4.641 6.858 311 HH21 ARG 48 1HH2 ARG 48 -6.043 1.727 6.000 312 HH22 ARG 48 2HH2 ARG 48 -5.970 3.179 6.930 313 H ASP 49 H ASP 49 -8.234 4.297 0.409 314 HA ASP 49 HA ASP 49 -8.247 7.098 -0.051 315 HB2 ASP 49 2HB ASP 49 -6.762 7.824 1.752 316 HB3 ASP 49 1HB ASP 49 -8.266 7.181 2.402 317 H GLU 50 H GLU 50 -5.865 7.930 -0.256 318 HA GLU 50 HA GLU 50 -4.711 6.330 -2.301 319 HB2 GLU 50 2HB GLU 50 -4.759 8.832 -2.253 320 HB3 GLU 50 1HB GLU 50 -3.535 8.790 -0.991 321 HG2 GLU 50 2HG GLU 50 -1.925 7.844 -2.477 322 HG3 GLU 50 1HG GLU 50 -3.148 7.569 -3.718 323 H CYS 51 H CYS 51 -3.994 6.685 1.109 324 HA CYS 51 HA CYS 51 -1.365 5.506 0.958 325 HB2 CYS 51 2HB CYS 51 -2.044 6.976 2.850 326 HB3 CYS 51 1HB CYS 51 -3.182 5.742 3.374 327 H GLU 52 H GLU 52 -4.630 4.337 1.706 328 HA GLU 52 HA GLU 52 -4.054 1.636 2.182 329 HB2 GLU 52 2HB GLU 52 -6.271 2.604 2.562 330 HB3 GLU 52 1HB GLU 52 -6.469 2.884 0.838 331 HG2 GLU 52 2HG GLU 52 -7.751 0.966 1.459 332 HG3 GLU 52 1HG GLU 52 -6.395 0.434 0.468 333 H LEU 53 H LEU 53 -4.688 3.335 -0.880 334 HA LEU 53 HA LEU 53 -4.504 1.195 -2.653 335 HB2 LEU 53 2HB LEU 53 -5.218 3.479 -3.250 336 HB3 LEU 53 1HB LEU 53 -3.574 4.050 -3.057 337 HG LEU 53 HG LEU 53 -4.161 1.896 -5.073 338 HD11 LEU 53 1HD1 LEU 53 -5.814 3.620 -5.539 339 HD12 LEU 53 2HD1 LEU 53 -4.552 3.631 -6.770 340 HD13 LEU 53 3HD1 LEU 53 -4.560 4.860 -5.505 341 HD21 LEU 53 3HD2 LEU 53 -2.141 4.146 -4.958 342 HD22 LEU 53 1HD2 LEU 53 -2.277 2.951 -6.250 343 HD23 LEU 53 2HD2 LEU 53 -1.825 2.442 -4.624 344 H ARG 54 H ARG 54 -1.866 3.346 -1.540 345 HA ARG 54 HA ARG 54 0.178 1.832 -2.818 346 HB2 ARG 54 2HB ARG 54 0.230 4.001 -0.734 347 HB3 ARG 54 1HB ARG 54 1.704 3.200 -1.269 348 HG2 ARG 54 2HG ARG 54 1.275 3.893 -3.564 349 HG3 ARG 54 1HG ARG 54 -0.231 4.666 -3.064 350 HD2 ARG 54 2HD ARG 54 0.944 6.282 -1.763 351 HD3 ARG 54 1HD ARG 54 2.467 5.414 -1.951 352 HE ARG 54 HE ARG 54 1.812 6.003 -4.494 353 HH11 ARG 54 1HH1 ARG 54 2.038 7.896 -1.630 354 HH12 ARG 54 2HH1 ARG 54 2.456 9.338 -2.484 355 HH21 ARG 54 1HH2 ARG 54 2.373 7.854 -5.585 356 HH22 ARG 54 2HH2 ARG 54 2.641 9.316 -4.701 357 H ALA 55 H ALA 55 -1.470 1.396 0.193 358 HA ALA 55 HA ALA 55 0.456 -0.397 1.343 359 HB1 ALA 55 3HB ALA 55 -1.269 0.677 2.716 360 HB2 ALA 55 1HB ALA 55 -1.370 -1.081 2.828 361 HB3 ALA 55 2HB ALA 55 -2.522 -0.194 1.831 362 H ALA 56 H ALA 56 -2.254 -0.688 -0.869 363 HA ALA 56 HA ALA 56 -2.213 -3.555 -1.019 364 HB1 ALA 56 3HB ALA 56 -3.807 -3.277 -2.846 365 HB2 ALA 56 1HB ALA 56 -3.491 -1.541 -2.874 366 HB3 ALA 56 2HB ALA 56 -4.251 -2.278 -1.463 367 H ARG 57 H ARG 57 -0.513 -0.983 -2.716 368 HA ARG 57 HA ARG 57 0.244 -2.516 -4.984 369 HB2 ARG 57 2HB ARG 57 1.689 -0.787 -5.580 370 HB3 ARG 57 1HB ARG 57 0.443 0.041 -4.660 371 HG2 ARG 57 2HG ARG 57 1.891 0.183 -2.735 372 HG3 ARG 57 1HG ARG 57 3.122 -0.789 -3.544 373 HD2 ARG 57 2HD ARG 57 3.280 0.981 -5.295 374 HD3 ARG 57 1HD ARG 57 2.166 1.964 -4.347 375 HE ARG 57 HE ARG 57 3.874 2.040 -2.599 376 HH11 ARG 57 1HH1 ARG 57 4.898 1.027 -5.747 377 HH12 ARG 57 2HH1 ARG 57 6.540 1.492 -5.470 378 HH21 ARG 57 1HH2 ARG 57 5.983 2.653 -2.285 379 HH22 ARG 57 2HH2 ARG 57 7.144 2.401 -3.553 380 H CYS 58 H CYS 58 1.362 -2.537 -1.713 381 HA CYS 58 HA CYS 58 3.834 -3.909 -2.186 382 HB2 CYS 58 2HB CYS 58 3.512 -2.795 -0.070 383 HB3 CYS 58 1HB CYS 58 2.071 -3.745 0.270 384 H ARG 59 H ARG 59 0.567 -4.825 -2.347 385 HA ARG 59 HA ARG 59 1.071 -7.668 -1.943 386 HB2 ARG 59 2HB ARG 59 -0.972 -6.724 -0.995 387 HB3 ARG 59 1HB ARG 59 -1.475 -6.154 -2.580 388 HG2 ARG 59 2HG ARG 59 -1.586 -8.514 -3.341 389 HG3 ARG 59 1HG ARG 59 -1.204 -9.025 -1.695 390 HD2 ARG 59 2HD ARG 59 -3.232 -7.910 -0.882 391 HD3 ARG 59 1HD ARG 59 -3.609 -7.393 -2.526 392 HE ARG 59 HE ARG 59 -3.304 -10.221 -2.346 393 HH11 ARG 59 1HH1 ARG 59 -5.520 -7.636 -1.811 394 HH12 ARG 59 2HH1 ARG 59 -6.903 -8.666 -1.895 395 HH21 ARG 59 1HH2 ARG 59 -5.102 -11.521 -2.476 396 HH22 ARG 59 2HH2 ARG 59 -6.675 -10.823 -2.292 397 H GLY 60 H GLY 60 2.495 -7.957 -3.768 398 HA2 GLY 60 2HA GLY 60 2.695 -9.102 -5.780 399 HA3 GLY 60 1HA GLY 60 0.989 -8.839 -6.073 400 H HIS 61 H HIS 61 0.762 -6.092 -6.202 401 HA HIS 61 HA HIS 61 2.421 -5.519 -8.585 402 HB2 HIS 61 2HB HIS 61 -0.463 -4.832 -8.020 403 HB3 HIS 61 1HB HIS 61 0.451 -4.125 -9.344 404 HD1 HIS 61 HD1 HIS 61 -1.890 -6.684 -8.814 405 HD2 HIS 61 HD2 HIS 61 1.673 -6.473 -10.939 406 HE1 HIS 61 HE1 HIS 61 -1.989 -8.550 -10.477 407 HE2 HIS 61 HE2 HIS 61 0.255 -8.531 -11.599 408 HA PRO 62 HA PRO 62 3.577 -2.017 -5.819 409 HB2 PRO 62 2HB PRO 62 5.973 -1.564 -7.052 410 HB3 PRO 62 1HB PRO 62 5.756 -2.763 -5.773 411 HG2 PRO 62 2HG PRO 62 5.807 -3.157 -8.747 412 HG3 PRO 62 1HG PRO 62 6.594 -4.116 -7.478 413 HD2 PRO 62 2HD PRO 62 4.294 -4.912 -8.638 414 HD3 PRO 62 1HD PRO 62 4.635 -5.228 -6.925 415 H ASP 63 H ASP 63 3.138 -2.368 -9.215 416 HA ASP 63 HA ASP 63 3.538 0.403 -9.906 417 HB2 ASP 63 2HB ASP 63 2.272 -1.811 -11.530 418 HB3 ASP 63 1HB ASP 63 2.885 -0.278 -12.144 419 H LEU 64 H LEU 64 1.081 -1.060 -8.260 420 HA LEU 64 HA LEU 64 -1.274 -0.174 -9.472 421 HB2 LEU 64 2HB LEU 64 -1.222 -1.713 -7.557 422 HB3 LEU 64 1HB LEU 64 -0.653 -0.418 -6.521 423 HG LEU 64 HG LEU 64 -2.795 0.787 -6.875 424 HD11 LEU 64 1HD1 LEU 64 -3.395 -0.099 -9.057 425 HD12 LEU 64 2HD1 LEU 64 -4.688 -0.389 -7.896 426 HD13 LEU 64 3HD1 LEU 64 -3.616 -1.708 -8.368 427 HD21 LEU 64 3HD2 LEU 64 -2.519 -0.632 -4.917 428 HD22 LEU 64 1HD2 LEU 64 -3.070 -2.036 -5.828 429 HD23 LEU 64 2HD2 LEU 64 -4.181 -0.706 -5.501 430 H SER 65 H SER 65 -1.756 1.834 -10.087 431 HA SER 65 HA SER 65 -0.814 4.115 -8.455 432 HB2 SER 65 2HB SER 65 -1.322 4.016 -11.447 433 HB3 SER 65 1HB SER 65 -0.790 5.434 -10.543 434 HG SER 65 HG SER 65 0.648 2.983 -10.589 435 H VAL 66 H VAL 66 -2.188 6.082 -8.580 436 HA VAL 66 HA VAL 66 -5.036 5.372 -8.607 437 HB VAL 66 HB VAL 66 -4.254 6.483 -6.587 438 HG11 VAL 66 1HG1 VAL 66 -3.482 8.801 -8.367 439 HG12 VAL 66 2HG1 VAL 66 -2.371 7.735 -7.507 440 HG13 VAL 66 3HG1 VAL 66 -3.448 8.798 -6.603 441 HG21 VAL 66 3HG2 VAL 66 -5.872 8.334 -6.497 442 HG22 VAL 66 1HG2 VAL 66 -6.548 6.901 -7.273 443 HG23 VAL 66 2HG2 VAL 66 -6.030 8.274 -8.253 444 H MET 67 H MET 67 -6.350 5.973 -10.220 445 HA MET 67 HA MET 67 -5.382 7.609 -12.393 446 HB2 MET 67 2HB MET 67 -8.118 6.413 -11.883 447 HB3 MET 67 1HB MET 67 -7.633 7.211 -13.372 448 HG2 MET 67 2HG MET 67 -5.883 5.497 -13.684 449 HG3 MET 67 1HG MET 67 -6.462 4.678 -12.234 450 HE1 MET 67 3HE MET 67 -10.094 3.630 -13.328 451 HE2 MET 67 1HE MET 67 -9.649 5.141 -12.538 452 HE3 MET 67 2HE MET 67 -8.910 3.627 -12.019 453 H TYR 68 H TYR 68 -7.894 7.912 -9.903 454 HA TYR 68 HA TYR 68 -7.456 10.744 -9.715 455 HB2 TYR 68 2HB TYR 68 -9.817 11.402 -10.164 456 HB3 TYR 68 1HB TYR 68 -8.989 10.796 -11.592 457 HD1 TYR 68 HD2 TYR 68 -9.590 8.588 -12.535 458 HD2 TYR 68 HD1 TYR 68 -11.716 10.232 -9.229 459 HE1 TYR 68 HE2 TYR 68 -11.412 6.990 -12.916 460 HE2 TYR 68 HE1 TYR 68 -13.547 8.632 -9.609 461 HH TYR 68 HH TYR 68 -13.238 5.960 -11.715 462 H ARG 69 H ARG 69 -8.207 11.613 -7.780 463 HA ARG 69 HA ARG 69 -8.770 9.715 -5.701 464 HB2 ARG 69 2HB ARG 69 -8.579 12.737 -5.667 465 HB3 ARG 69 1HB ARG 69 -8.806 11.744 -4.230 466 HG2 ARG 69 2HG ARG 69 -6.676 10.625 -4.647 467 HG3 ARG 69 1HG ARG 69 -6.447 11.589 -6.106 468 HD2 ARG 69 2HD ARG 69 -6.295 13.611 -4.811 469 HD3 ARG 69 1HD ARG 69 -6.724 12.747 -3.332 470 HE ARG 69 HE ARG 69 -4.528 11.437 -4.082 471 HH11 ARG 69 1HH1 ARG 69 -5.121 14.830 -3.937 472 HH12 ARG 69 2HH1 ARG 69 -3.485 15.202 -3.520 473 HH21 ARG 69 1HH2 ARG 69 -2.435 11.923 -3.562 474 HH22 ARG 69 2HH2 ARG 69 -1.979 13.578 -3.331 475 H GLY 70 H GLY 70 -10.717 8.823 -5.766 476 HA2 GLY 70 2HA GLY 70 -13.050 9.921 -4.891 477 HA3 GLY 70 1HA GLY 70 -13.087 10.198 -6.629 478 H ARG 71 H ARG 71 -15.083 8.728 -6.096 479 HA ARG 71 HA ARG 71 -14.458 5.921 -5.779 480 HB2 ARG 71 2HB ARG 71 -17.060 7.367 -6.319 481 HB3 ARG 71 1HB ARG 71 -16.932 5.625 -6.097 482 HG2 ARG 71 2HG ARG 71 -16.034 5.987 -3.837 483 HG3 ARG 71 1HG ARG 71 -16.197 7.730 -4.064 484 HD2 ARG 71 2HD ARG 71 -18.590 7.540 -4.231 485 HD3 ARG 71 1HD ARG 71 -18.494 5.777 -4.223 486 HE ARG 71 HE ARG 71 -17.299 6.818 -1.887 487 HH11 ARG 71 1HH1 ARG 71 -20.404 6.435 -3.323 488 HH12 ARG 71 2HH1 ARG 71 -21.203 6.213 -1.804 489 HH21 ARG 71 1HH2 ARG 71 -18.324 6.550 0.058 490 HH22 ARG 71 2HH2 ARG 71 -20.031 6.272 0.095 491 H CYS 72 H CYS 72 -14.454 4.344 -7.328 492 HA CYS 72 HA CYS 72 -13.810 5.064 -9.969 493 HB2 CYS 72 2HB CYS 72 -14.559 2.389 -8.779 494 HB3 CYS 72 1HB CYS 72 -14.047 2.585 -10.453 495 H ARG 73 H ARG 73 -15.384 6.286 -10.927 496 HA ARG 73 HA ARG 73 -17.910 4.924 -11.616 497 HB2 ARG 73 2HB ARG 73 -18.475 7.338 -12.468 498 HB3 ARG 73 1HB ARG 73 -18.540 6.987 -10.746 499 HG2 ARG 73 2HG ARG 73 -16.364 7.994 -10.411 500 HG3 ARG 73 1HG ARG 73 -16.186 8.257 -12.145 501 HD2 ARG 73 2HD ARG 73 -18.488 9.442 -10.614 502 HD3 ARG 73 1HD ARG 73 -16.915 10.236 -10.665 503 HE ARG 73 HE ARG 73 -18.690 9.781 -12.965 504 HH11 ARG 73 1HH1 ARG 73 -15.980 11.328 -11.527 505 HH12 ARG 73 2HH1 ARG 73 -15.729 12.401 -12.855 506 HH21 ARG 73 1HH2 ARG 73 -18.391 11.176 -14.669 507 HH22 ARG 73 2HH2 ARG 73 -17.102 12.327 -14.619 508 H LYS 74 H LYS 74 -17.611 3.759 -13.418 509 HA LYS 74 HA LYS 74 -16.324 5.067 -15.735 510 HB2 LYS 74 2HB LYS 74 -14.872 3.319 -14.687 511 HB3 LYS 74 1HB LYS 74 -16.114 2.125 -15.032 512 HG2 LYS 74 2HG LYS 74 -15.849 2.493 -17.417 513 HG3 LYS 74 1HG LYS 74 -14.672 3.771 -17.110 514 HD2 LYS 74 2HD LYS 74 -13.338 1.922 -17.613 515 HD3 LYS 74 1HD LYS 74 -13.333 1.952 -15.852 516 HE2 LYS 74 2HE LYS 74 -15.042 0.184 -17.607 517 HE3 LYS 74 1HE LYS 74 -13.619 -0.323 -16.700 518 HZ1 LYS 74 3HZ LYS 74 -16.245 0.535 -15.633 519 HZ2 LYS 74 1HZ LYS 74 -14.867 0.382 -14.659 520 HZ3 LYS 74 2HZ LYS 74 -15.489 -0.967 -15.461 Start of MODEL 4 1 H1 SER 1 1H SER 1 8.619 2.762 19.176 2 H2 SER 1 2H SER 1 9.550 1.754 18.191 3 H3 SER 1 3H SER 1 9.611 1.582 19.870 4 HA SER 1 HA SER 1 7.309 0.892 19.932 5 HB2 SER 1 2HB SER 1 6.535 2.142 17.958 6 HB3 SER 1 1HB SER 1 7.478 1.087 16.908 7 HG SER 1 HG SER 1 6.058 -0.496 17.172 8 H ASP 2 H ASP 2 9.192 -0.194 17.086 9 HA ASP 2 HA ASP 2 9.432 -2.857 18.350 10 HB2 ASP 2 2HB ASP 2 9.123 -2.153 15.419 11 HB3 ASP 2 1HB ASP 2 9.525 -3.764 16.009 12 H SER 3 H SER 3 11.472 -3.265 18.939 13 HA SER 3 HA SER 3 13.687 -1.985 17.471 14 HB2 SER 3 2HB SER 3 15.071 -2.602 19.450 15 HB3 SER 3 1HB SER 3 13.718 -1.553 19.857 16 HG SER 3 HG SER 3 13.301 -4.313 20.012 17 H CYS 4 H CYS 4 14.442 -3.229 15.854 18 HA CYS 4 HA CYS 4 14.486 -6.147 16.181 19 HB2 CYS 4 2HB CYS 4 14.761 -4.422 13.726 20 HB3 CYS 4 1HB CYS 4 14.975 -6.171 13.717 21 H ASP 5 H ASP 5 16.335 -7.291 16.419 22 HA ASP 5 HA ASP 5 18.800 -5.842 16.787 23 HB2 ASP 5 2HB ASP 5 18.150 -7.628 18.336 24 HB3 ASP 5 1HB ASP 5 18.215 -8.801 17.022 25 H GLY 6 H GLY 6 20.106 -5.343 15.140 26 HA2 GLY 6 2HA GLY 6 21.577 -5.637 13.399 27 HA3 GLY 6 1HA GLY 6 21.316 -7.363 13.543 28 H VAL 7 H VAL 7 18.389 -5.762 13.063 29 HA VAL 7 HA VAL 7 18.331 -6.629 10.265 30 HB VAL 7 HB VAL 7 16.037 -5.660 11.992 31 HG11 VAL 7 1HG1 VAL 7 15.634 -5.403 9.585 32 HG12 VAL 7 2HG1 VAL 7 14.594 -6.645 10.279 33 HG13 VAL 7 3HG1 VAL 7 16.011 -7.108 9.334 34 HG21 VAL 7 3HG2 VAL 7 16.879 -8.491 11.336 35 HG22 VAL 7 1HG2 VAL 7 15.421 -8.025 12.212 36 HG23 VAL 7 2HG2 VAL 7 17.007 -7.704 12.909 37 H GLU 8 H GLU 8 18.980 -5.135 8.847 38 HA GLU 8 HA GLU 8 18.696 -2.300 9.350 39 HB2 GLU 8 2HB GLU 8 20.734 -2.985 8.310 40 HB3 GLU 8 1HB GLU 8 19.877 -3.890 7.070 41 HG2 GLU 8 2HG GLU 8 19.056 -1.843 6.082 42 HG3 GLU 8 1HG GLU 8 19.784 -0.894 7.375 43 H CYS 9 H CYS 9 16.743 -1.413 9.076 44 HA CYS 9 HA CYS 9 15.467 -1.647 6.472 45 HB2 CYS 9 2HB CYS 9 14.024 -2.363 9.037 46 HB3 CYS 9 1HB CYS 9 13.220 -2.071 7.494 47 H GLY 10 H GLY 10 14.404 0.143 5.848 48 HA2 GLY 10 2HA GLY 10 13.379 2.206 7.437 49 HA3 GLY 10 1HA GLY 10 15.057 2.598 7.077 50 HA PRO 11 HA PRO 11 13.934 3.874 2.920 51 HB2 PRO 11 2HB PRO 11 15.541 2.424 1.244 52 HB3 PRO 11 1HB PRO 11 16.119 3.789 2.203 53 HG2 PRO 11 2HG PRO 11 16.336 0.854 2.771 54 HG3 PRO 11 1HG PRO 11 17.562 2.123 2.958 55 HD2 PRO 11 2HD PRO 11 16.160 1.168 5.054 56 HD3 PRO 11 1HD PRO 11 16.667 2.866 4.959 57 H GLY 12 H GLY 12 11.785 2.992 3.022 58 HA2 GLY 12 2HA GLY 12 10.134 2.014 1.678 59 HA3 GLY 12 1HA GLY 12 11.350 0.970 0.967 60 H LYS 13 H LYS 13 11.886 0.626 4.175 61 HA LYS 13 HA LYS 13 9.762 -1.352 4.635 62 HB2 LYS 13 2HB LYS 13 12.713 -1.976 4.596 63 HB3 LYS 13 1HB LYS 13 11.566 -2.972 5.476 64 HG2 LYS 13 2HG LYS 13 10.375 -3.457 3.401 65 HG3 LYS 13 1HG LYS 13 11.504 -2.442 2.509 66 HD2 LYS 13 2HD LYS 13 12.194 -4.956 4.045 67 HD3 LYS 13 1HD LYS 13 12.097 -4.805 2.290 68 HE2 LYS 13 2HE LYS 13 13.943 -3.209 2.311 69 HE3 LYS 13 1HE LYS 13 14.022 -3.301 4.068 70 HZ1 LYS 13 3HZ LYS 13 14.550 -5.532 2.181 71 HZ2 LYS 13 1HZ LYS 13 14.601 -5.646 3.869 72 HZ3 LYS 13 2HZ LYS 13 15.713 -4.668 3.051 73 H ALA 14 H ALA 14 9.113 -1.504 6.703 74 HA ALA 14 HA ALA 14 10.839 -0.372 8.831 75 HB1 ALA 14 3HB ALA 14 7.815 -0.489 8.749 76 HB2 ALA 14 1HB ALA 14 8.803 0.953 8.519 77 HB3 ALA 14 2HB ALA 14 8.785 0.138 10.083 78 H CYS 15 H CYS 15 11.153 -1.635 10.706 79 HA CYS 15 HA CYS 15 10.447 -4.467 10.313 80 HB2 CYS 15 2HB CYS 15 12.862 -3.812 10.629 81 HB3 CYS 15 1HB CYS 15 12.461 -3.360 12.287 82 H ARG 16 H ARG 16 9.263 -5.625 11.699 83 HA ARG 16 HA ARG 16 8.504 -4.534 14.300 84 HB2 ARG 16 2HB ARG 16 6.106 -5.007 13.855 85 HB3 ARG 16 1HB ARG 16 6.755 -3.723 12.847 86 HG2 ARG 16 2HG ARG 16 7.036 -5.431 11.017 87 HG3 ARG 16 1HG ARG 16 6.137 -6.561 12.033 88 HD2 ARG 16 2HD ARG 16 5.145 -3.901 10.990 89 HD3 ARG 16 1HD ARG 16 4.665 -5.494 10.406 90 HE ARG 16 HE ARG 16 3.743 -5.835 12.717 91 HH11 ARG 16 1HH1 ARG 16 4.055 -2.673 11.387 92 HH12 ARG 16 2HH1 ARG 16 2.762 -2.027 12.330 93 HH21 ARG 16 1HH2 ARG 16 2.082 -4.992 13.921 94 HH22 ARG 16 2HH2 ARG 16 1.668 -3.320 13.758 95 H MET 17 H MET 17 8.160 -6.085 15.851 96 HA MET 17 HA MET 17 9.197 -8.701 15.243 97 HB2 MET 17 2HB MET 17 8.097 -7.604 17.842 98 HB3 MET 17 1HB MET 17 8.995 -9.106 17.663 99 HG2 MET 17 2HG MET 17 10.041 -6.330 17.127 100 HG3 MET 17 1HG MET 17 10.425 -7.342 18.517 101 HE1 MET 17 3HE MET 17 11.947 -9.534 18.394 102 HE2 MET 17 1HE MET 17 12.476 -10.250 16.871 103 HE3 MET 17 2HE MET 17 10.760 -10.203 17.275 104 H LEU 18 H LEU 18 7.891 -10.076 14.175 105 HA LEU 18 HA LEU 18 5.141 -10.480 15.183 106 HB2 LEU 18 2HB LEU 18 6.256 -11.039 12.425 107 HB3 LEU 18 1HB LEU 18 4.612 -11.375 12.941 108 HG LEU 18 HG LEU 18 5.870 -8.631 12.714 109 HD11 LEU 18 1HD1 LEU 18 4.289 -8.301 10.873 110 HD12 LEU 18 2HD1 LEU 18 3.750 -9.974 11.036 111 HD13 LEU 18 3HD1 LEU 18 5.407 -9.624 10.541 112 HD21 LEU 18 3HD2 LEU 18 3.642 -7.763 13.210 113 HD22 LEU 18 1HD2 LEU 18 4.246 -8.742 14.547 114 HD23 LEU 18 2HD2 LEU 18 3.039 -9.405 13.442 115 H GLY 19 H GLY 19 4.996 -12.243 16.423 116 HA2 GLY 19 2HA GLY 19 5.166 -14.432 17.125 117 HA3 GLY 19 1HA GLY 19 5.765 -14.836 15.525 118 H GLY 20 H GLY 20 7.278 -12.506 17.686 119 HA2 GLY 20 2HA GLY 20 9.288 -12.580 18.839 120 HA3 GLY 20 1HA GLY 20 9.345 -14.315 18.572 121 H ARG 21 H ARG 21 8.832 -13.102 15.599 122 HA ARG 21 HA ARG 21 11.717 -13.023 14.970 123 HB2 ARG 21 2HB ARG 21 9.398 -13.933 13.244 124 HB3 ARG 21 1HB ARG 21 11.094 -13.945 12.772 125 HG2 ARG 21 2HG ARG 21 11.614 -15.619 14.402 126 HG3 ARG 21 1HG ARG 21 10.008 -15.495 15.120 127 HD2 ARG 21 2HD ARG 21 10.624 -16.473 12.329 128 HD3 ARG 21 1HD ARG 21 10.233 -17.495 13.712 129 HE ARG 21 HE ARG 21 8.396 -15.797 12.207 130 HH11 ARG 21 1HH1 ARG 21 8.892 -17.846 14.930 131 HH12 ARG 21 2HH1 ARG 21 7.215 -18.225 15.094 132 HH21 ARG 21 1HH2 ARG 21 6.239 -16.268 12.436 133 HH22 ARG 21 2HH2 ARG 21 5.721 -17.346 13.685 134 HA PRO 22 HA PRO 22 10.908 -8.827 13.632 135 HB2 PRO 22 2HB PRO 22 13.312 -8.327 12.474 136 HB3 PRO 22 1HB PRO 22 13.089 -8.397 14.227 137 HG2 PRO 22 2HG PRO 22 14.132 -10.511 12.367 138 HG3 PRO 22 1HG PRO 22 14.763 -10.003 13.945 139 HD2 PRO 22 2HD PRO 22 13.229 -12.217 13.637 140 HD3 PRO 22 1HD PRO 22 13.186 -11.228 15.111 141 H ARG 23 H ARG 23 9.505 -8.565 11.977 142 HA ARG 23 HA ARG 23 10.340 -9.359 9.256 143 HB2 ARG 23 2HB ARG 23 7.659 -9.195 10.565 144 HB3 ARG 23 1HB ARG 23 7.762 -8.849 8.846 145 HG2 ARG 23 2HG ARG 23 8.886 -11.072 8.555 146 HG3 ARG 23 1HG ARG 23 8.504 -11.411 10.245 147 HD2 ARG 23 2HD ARG 23 6.856 -12.331 8.591 148 HD3 ARG 23 1HD ARG 23 6.157 -11.279 9.822 149 HE ARG 23 HE ARG 23 6.405 -9.499 7.959 150 HH11 ARG 23 1HH1 ARG 23 5.640 -12.814 7.395 151 HH12 ARG 23 2HH1 ARG 23 4.705 -12.460 5.988 152 HH21 ARG 23 1HH2 ARG 23 5.196 -9.061 6.183 153 HH22 ARG 23 2HH2 ARG 23 4.437 -10.358 5.317 154 H CYS 24 H CYS 24 10.684 -7.820 7.758 155 HA CYS 24 HA CYS 24 9.969 -5.046 8.429 156 HB2 CYS 24 2HB CYS 24 11.980 -6.152 6.461 157 HB3 CYS 24 1HB CYS 24 11.561 -4.443 6.570 158 H GLU 25 H GLU 25 8.293 -4.164 7.467 159 HA GLU 25 HA GLU 25 7.104 -5.494 5.126 160 HB2 GLU 25 2HB GLU 25 5.842 -3.471 6.997 161 HB3 GLU 25 1HB GLU 25 5.017 -4.433 5.779 162 HG2 GLU 25 2HG GLU 25 6.391 -5.553 8.223 163 HG3 GLU 25 1HG GLU 25 4.664 -5.232 8.094 164 H CYS 26 H CYS 26 6.490 -4.265 3.285 165 HA CYS 26 HA CYS 26 8.269 -2.036 2.824 166 HB2 CYS 26 2HB CYS 26 7.630 -2.174 0.513 167 HB3 CYS 26 1HB CYS 26 7.882 -3.806 1.115 168 H ALA 27 H ALA 27 7.799 0.032 3.064 169 HA ALA 27 HA ALA 27 5.015 0.882 3.397 170 HB1 ALA 27 3HB ALA 27 6.584 1.549 5.142 171 HB2 ALA 27 1HB ALA 27 5.972 2.965 4.290 172 HB3 ALA 27 2HB ALA 27 7.593 2.361 3.945 173 HA PRO 28 HA PRO 28 5.045 2.603 -0.736 174 HB2 PRO 28 2HB PRO 28 2.743 4.012 -0.623 175 HB3 PRO 28 1HB PRO 28 2.762 2.244 -0.681 176 HG2 PRO 28 2HG PRO 28 2.451 4.054 1.694 177 HG3 PRO 28 1HG PRO 28 1.522 2.603 1.271 178 HD2 PRO 28 2HD PRO 28 3.545 2.573 3.088 179 HD3 PRO 28 1HD PRO 28 3.157 1.173 2.067 180 H ASP 29 H ASP 29 5.456 4.567 -1.813 181 HA ASP 29 HA ASP 29 6.711 6.605 -0.207 182 HB2 ASP 29 2HB ASP 29 7.387 7.557 -2.356 183 HB3 ASP 29 1HB ASP 29 7.665 5.818 -2.349 184 H CYS 30 H CYS 30 4.014 6.577 0.465 185 HA CYS 30 HA CYS 30 2.516 8.412 -1.176 186 HB2 CYS 30 2HB CYS 30 0.690 8.086 0.378 187 HB3 CYS 30 1HB CYS 30 1.415 6.531 -0.005 188 H SER 31 H SER 31 3.692 10.324 -1.146 189 HA SER 31 HA SER 31 3.194 11.965 1.241 190 HB2 SER 31 2HB SER 31 5.573 11.347 1.348 191 HB3 SER 31 1HB SER 31 5.815 11.956 -0.289 192 HG SER 31 HG SER 31 6.289 13.732 0.763 193 H GLY 32 H GLY 32 2.370 13.949 0.797 194 HA2 GLY 32 2HA GLY 32 1.635 15.769 -0.414 195 HA3 GLY 32 1HA GLY 32 2.759 15.320 -1.687 196 H LEU 33 H LEU 33 0.093 13.428 -0.339 197 HA LEU 33 HA LEU 33 -1.531 13.727 -2.723 198 HB2 LEU 33 2HB LEU 33 -1.565 11.224 -3.102 199 HB3 LEU 33 1HB LEU 33 -0.090 12.051 -3.561 200 HG LEU 33 HG LEU 33 0.830 11.298 -1.268 201 HD11 LEU 33 1HD1 LEU 33 -0.143 9.254 -0.358 202 HD12 LEU 33 2HD1 LEU 33 -1.479 9.372 -1.503 203 HD13 LEU 33 3HD1 LEU 33 -1.272 10.604 -0.259 204 HD21 LEU 33 3HD2 LEU 33 1.600 10.414 -3.403 205 HD22 LEU 33 1HD2 LEU 33 0.272 9.253 -3.418 206 HD23 LEU 33 2HD2 LEU 33 1.527 9.144 -2.183 207 HA PRO 34 HA PRO 34 -5.075 13.164 -0.214 208 HB2 PRO 34 2HB PRO 34 -5.761 10.661 -1.716 209 HB3 PRO 34 1HB PRO 34 -6.775 12.061 -1.336 210 HG2 PRO 34 2HG PRO 34 -5.775 11.778 -3.772 211 HG3 PRO 34 1HG PRO 34 -5.808 13.377 -3.001 212 HD2 PRO 34 2HD PRO 34 -3.502 11.516 -3.409 213 HD3 PRO 34 1HD PRO 34 -3.546 13.290 -3.468 214 H ALA 35 H ALA 35 -4.780 12.605 1.841 215 HA ALA 35 HA ALA 35 -4.300 9.777 2.542 216 HB1 ALA 35 3HB ALA 35 -3.893 12.243 4.241 217 HB2 ALA 35 1HB ALA 35 -2.623 11.367 3.388 218 HB3 ALA 35 2HB ALA 35 -3.504 10.585 4.699 219 H ARG 36 H ARG 36 -6.662 12.173 2.439 220 HA ARG 36 HA ARG 36 -8.430 10.613 4.224 221 HB2 ARG 36 2HB ARG 36 -9.614 12.717 4.754 222 HB3 ARG 36 1HB ARG 36 -7.923 12.776 5.242 223 HG2 ARG 36 2HG ARG 36 -7.419 14.019 3.146 224 HG3 ARG 36 1HG ARG 36 -9.149 14.062 2.806 225 HD2 ARG 36 2HD ARG 36 -9.545 15.334 4.837 226 HD3 ARG 36 1HD ARG 36 -7.837 15.220 5.270 227 HE ARG 36 HE ARG 36 -8.239 16.416 2.703 228 HH11 ARG 36 1HH1 ARG 36 -8.182 17.047 6.088 229 HH12 ARG 36 2HH1 ARG 36 -7.879 18.733 5.874 230 HH21 ARG 36 1HH2 ARG 36 -7.801 18.560 2.445 231 HH22 ARG 36 2HH2 ARG 36 -7.646 19.583 3.831 232 H LEU 37 H LEU 37 -7.966 12.071 1.120 233 HA LEU 37 HA LEU 37 -10.771 11.852 0.355 234 HB2 LEU 37 2HB LEU 37 -9.052 13.717 -0.294 235 HB3 LEU 37 1HB LEU 37 -8.520 12.572 -1.505 236 HG LEU 37 HG LEU 37 -11.356 13.612 -1.295 237 HD11 LEU 37 1HD1 LEU 37 -9.829 15.439 -1.804 238 HD12 LEU 37 2HD1 LEU 37 -10.799 15.025 -3.217 239 HD13 LEU 37 3HD1 LEU 37 -9.119 14.500 -3.117 240 HD21 LEU 37 3HD2 LEU 37 -11.595 12.723 -3.564 241 HD22 LEU 37 1HD2 LEU 37 -11.189 11.449 -2.416 242 HD23 LEU 37 2HD2 LEU 37 -9.949 12.090 -3.494 243 H GLN 38 H GLN 38 -11.571 10.022 -0.457 244 HA GLN 38 HA GLN 38 -10.033 7.702 -0.885 245 HB2 GLN 38 2HB GLN 38 -12.876 8.324 -1.717 246 HB3 GLN 38 1HB GLN 38 -12.154 6.718 -1.724 247 HG2 GLN 38 2HG GLN 38 -11.846 6.823 0.688 248 HG3 GLN 38 1HG GLN 38 -12.508 8.457 0.716 249 HE21 GLN 38 1HE2 GLN 38 -13.245 5.074 0.319 250 HE22 GLN 38 2HE2 GLN 38 -14.952 5.232 0.527 251 H VAL 39 H VAL 39 -9.605 6.499 -2.796 252 HA VAL 39 HA VAL 39 -9.666 8.061 -5.306 253 HB VAL 39 HB VAL 39 -7.417 7.267 -5.877 254 HG11 VAL 39 1HG1 VAL 39 -7.531 8.695 -3.214 255 HG12 VAL 39 2HG1 VAL 39 -7.622 9.444 -4.809 256 HG13 VAL 39 3HG1 VAL 39 -6.135 8.649 -4.292 257 HG21 VAL 39 3HG2 VAL 39 -7.391 6.083 -3.095 258 HG22 VAL 39 1HG2 VAL 39 -5.997 6.193 -4.171 259 HG23 VAL 39 2HG2 VAL 39 -7.377 5.189 -4.615 260 H CYS 40 H CYS 40 -9.701 6.870 -7.252 261 HA CYS 40 HA CYS 40 -10.701 4.115 -6.965 262 HB2 CYS 40 2HB CYS 40 -12.132 5.726 -8.177 263 HB3 CYS 40 1HB CYS 40 -10.843 5.984 -9.347 264 H GLY 41 H GLY 41 -9.265 2.530 -7.261 265 HA2 GLY 41 2HA GLY 41 -6.756 3.060 -8.649 266 HA3 GLY 41 1HA GLY 41 -7.146 1.635 -7.706 267 H SER 42 H SER 42 -5.816 1.468 -10.129 268 HA SER 42 HA SER 42 -7.481 1.075 -12.382 269 HB2 SER 42 2HB SER 42 -5.506 -0.047 -13.384 270 HB3 SER 42 1HB SER 42 -5.095 1.496 -12.635 271 HG SER 42 HG SER 42 -3.954 -0.791 -12.181 272 H ASP 43 H ASP 43 -7.144 -0.823 -9.624 273 HA ASP 43 HA ASP 43 -7.659 -3.384 -10.847 274 HB2 ASP 43 2HB ASP 43 -6.411 -3.007 -8.666 275 HB3 ASP 43 1HB ASP 43 -7.964 -2.633 -7.929 276 H GLY 44 H GLY 44 -9.543 -0.688 -10.362 277 HA2 GLY 44 2HA GLY 44 -11.814 -0.458 -10.886 278 HA3 GLY 44 1HA GLY 44 -12.003 -2.199 -10.750 279 H ALA 45 H ALA 45 -10.395 -0.803 -8.101 280 HA ALA 45 HA ALA 45 -12.873 -0.876 -6.496 281 HB1 ALA 45 3HB ALA 45 -11.511 -1.629 -4.613 282 HB2 ALA 45 1HB ALA 45 -10.068 -1.587 -5.626 283 HB3 ALA 45 2HB ALA 45 -11.364 -2.729 -5.982 284 H THR 46 H THR 46 -13.178 0.678 -4.877 285 HA THR 46 HA THR 46 -11.498 3.092 -5.102 286 HB THR 46 HB THR 46 -14.245 2.732 -3.870 287 HG1 THR 46 HG1 THR 46 -13.827 2.885 -6.307 288 HG21 THR 46 3HG2 THR 46 -12.963 4.426 -2.638 289 HG22 THR 46 1HG2 THR 46 -14.262 5.164 -3.576 290 HG23 THR 46 2HG2 THR 46 -12.599 5.254 -4.153 291 H TYR 47 H TYR 47 -9.961 3.389 -3.629 292 HA TYR 47 HA TYR 47 -10.089 1.962 -1.064 293 HB2 TYR 47 2HB TYR 47 -7.790 3.348 -2.466 294 HB3 TYR 47 1HB TYR 47 -7.667 2.559 -0.896 295 HD1 TYR 47 HD2 TYR 47 -8.510 1.901 -4.469 296 HD2 TYR 47 HD1 TYR 47 -7.224 0.250 -0.762 297 HE1 TYR 47 HE2 TYR 47 -8.062 -0.241 -5.584 298 HE2 TYR 47 HE1 TYR 47 -6.773 -1.899 -1.871 299 HH TYR 47 HH TYR 47 -7.490 -3.120 -3.895 300 H ARG 48 H ARG 48 -9.414 3.051 0.917 301 HA ARG 48 HA ARG 48 -10.987 5.285 1.467 302 HB2 ARG 48 2HB ARG 48 -8.621 4.237 3.039 303 HB3 ARG 48 1HB ARG 48 -9.842 5.346 3.654 304 HG2 ARG 48 2HG ARG 48 -11.565 3.598 3.234 305 HG3 ARG 48 1HG ARG 48 -10.266 2.492 2.781 306 HD2 ARG 48 2HD ARG 48 -10.551 3.849 5.468 307 HD3 ARG 48 1HD ARG 48 -11.006 2.183 5.118 308 HE ARG 48 HE ARG 48 -8.295 2.608 4.442 309 HH11 ARG 48 1HH1 ARG 48 -10.363 2.228 7.171 310 HH12 ARG 48 2HH1 ARG 48 -9.102 1.598 8.171 311 HH21 ARG 48 1HH2 ARG 48 -6.701 1.787 5.723 312 HH22 ARG 48 2HH2 ARG 48 -7.040 1.372 7.371 313 H ASP 49 H ASP 49 -7.604 5.131 0.578 314 HA ASP 49 HA ASP 49 -7.602 7.869 -0.247 315 HB2 ASP 49 2HB ASP 49 -5.679 8.556 1.201 316 HB3 ASP 49 1HB ASP 49 -7.175 8.299 2.093 317 H GLU 50 H GLU 50 -5.100 8.422 -0.895 318 HA GLU 50 HA GLU 50 -4.557 6.356 -2.817 319 HB2 GLU 50 2HB GLU 50 -4.311 8.835 -3.287 320 HB3 GLU 50 1HB GLU 50 -2.819 8.780 -2.351 321 HG2 GLU 50 2HG GLU 50 -1.956 7.040 -3.888 322 HG3 GLU 50 1HG GLU 50 -3.426 7.193 -4.847 323 H CYS 51 H CYS 51 -3.064 7.354 0.228 324 HA CYS 51 HA CYS 51 -0.687 5.819 -0.099 325 HB2 CYS 51 2HB CYS 51 -1.017 7.569 1.689 326 HB3 CYS 51 1HB CYS 51 -2.049 6.423 2.540 327 H GLU 52 H GLU 52 -3.881 5.089 1.198 328 HA GLU 52 HA GLU 52 -3.604 2.409 1.906 329 HB2 GLU 52 2HB GLU 52 -5.647 3.859 2.186 330 HB3 GLU 52 1HB GLU 52 -5.960 3.672 0.468 331 HG2 GLU 52 2HG GLU 52 -7.380 2.151 1.574 332 HG3 GLU 52 1HG GLU 52 -6.081 1.184 0.874 333 H LEU 53 H LEU 53 -4.570 3.776 -1.219 334 HA LEU 53 HA LEU 53 -4.696 1.515 -2.798 335 HB2 LEU 53 2HB LEU 53 -5.375 3.744 -3.527 336 HB3 LEU 53 1HB LEU 53 -3.709 4.286 -3.497 337 HG LEU 53 HG LEU 53 -3.245 2.561 -5.310 338 HD11 LEU 53 1HD1 LEU 53 -6.256 2.537 -5.467 339 HD12 LEU 53 2HD1 LEU 53 -5.229 1.186 -4.987 340 HD13 LEU 53 3HD1 LEU 53 -5.150 1.811 -6.634 341 HD21 LEU 53 3HD2 LEU 53 -4.119 4.001 -7.090 342 HD22 LEU 53 1HD2 LEU 53 -3.388 4.938 -5.789 343 HD23 LEU 53 2HD2 LEU 53 -5.146 4.827 -5.917 344 H ARG 54 H ARG 54 -1.852 3.579 -2.243 345 HA ARG 54 HA ARG 54 -0.109 2.028 -3.874 346 HB2 ARG 54 2HB ARG 54 0.598 4.070 -1.750 347 HB3 ARG 54 1HB ARG 54 1.655 3.500 -3.038 348 HG2 ARG 54 2HG ARG 54 0.219 4.500 -4.716 349 HG3 ARG 54 1HG ARG 54 -0.942 4.976 -3.479 350 HD2 ARG 54 2HD ARG 54 0.270 6.930 -3.956 351 HD3 ARG 54 1HD ARG 54 0.954 6.335 -2.446 352 HE ARG 54 HE ARG 54 2.852 5.521 -3.722 353 HH11 ARG 54 1HH1 ARG 54 0.765 7.778 -5.317 354 HH12 ARG 54 2HH1 ARG 54 1.967 8.204 -6.486 355 HH21 ARG 54 1HH2 ARG 54 4.375 6.109 -5.204 356 HH22 ARG 54 2HH2 ARG 54 3.978 7.271 -6.426 357 H ALA 55 H ALA 55 -0.954 1.916 -0.472 358 HA ALA 55 HA ALA 55 1.153 0.200 0.372 359 HB1 ALA 55 3HB ALA 55 -0.234 1.458 1.955 360 HB2 ALA 55 1HB ALA 55 -0.257 -0.269 2.313 361 HB3 ALA 55 2HB ALA 55 -1.635 0.483 1.507 362 H ALA 56 H ALA 56 -2.213 -0.470 -0.614 363 HA ALA 56 HA ALA 56 -2.054 -3.276 -0.634 364 HB1 ALA 56 3HB ALA 56 -4.027 -3.207 -2.071 365 HB2 ALA 56 1HB ALA 56 -3.748 -1.493 -2.389 366 HB3 ALA 56 2HB ALA 56 -4.165 -2.032 -0.764 367 H ARG 57 H ARG 57 -1.095 -0.872 -3.007 368 HA ARG 57 HA ARG 57 -0.599 -2.486 -5.231 369 HB2 ARG 57 2HB ARG 57 -0.502 0.019 -5.170 370 HB3 ARG 57 1HB ARG 57 1.039 -0.099 -4.334 371 HG2 ARG 57 2HG ARG 57 1.946 -1.332 -6.302 372 HG3 ARG 57 1HG ARG 57 0.419 -1.035 -7.133 373 HD2 ARG 57 2HD ARG 57 0.879 1.460 -6.609 374 HD3 ARG 57 1HD ARG 57 2.537 0.933 -6.314 375 HE ARG 57 HE ARG 57 1.212 0.324 -8.862 376 HH11 ARG 57 1HH1 ARG 57 3.775 1.839 -7.129 377 HH12 ARG 57 2HH1 ARG 57 4.632 2.269 -8.566 378 HH21 ARG 57 1HH2 ARG 57 2.342 0.868 -10.692 379 HH22 ARG 57 2HH2 ARG 57 3.849 1.700 -10.553 380 H CYS 58 H CYS 58 1.665 -1.553 -2.615 381 HA CYS 58 HA CYS 58 3.758 -3.243 -3.581 382 HB2 CYS 58 2HB CYS 58 4.135 -1.229 -2.141 383 HB3 CYS 58 1HB CYS 58 3.478 -2.136 -0.781 384 H ARG 59 H ARG 59 1.127 -3.686 -1.306 385 HA ARG 59 HA ARG 59 2.032 -5.984 0.008 386 HB2 ARG 59 2HB ARG 59 0.157 -4.814 0.898 387 HB3 ARG 59 1HB ARG 59 -0.765 -5.013 -0.586 388 HG2 ARG 59 2HG ARG 59 -1.073 -7.342 -0.185 389 HG3 ARG 59 1HG ARG 59 0.092 -7.333 1.139 390 HD2 ARG 59 2HD ARG 59 -2.492 -5.767 1.165 391 HD3 ARG 59 1HD ARG 59 -2.317 -7.388 1.844 392 HE ARG 59 HE ARG 59 -0.334 -5.708 2.932 393 HH11 ARG 59 1HH1 ARG 59 -3.742 -6.189 3.064 394 HH12 ARG 59 2HH1 ARG 59 -3.867 -5.605 4.683 395 HH21 ARG 59 1HH2 ARG 59 -0.518 -4.974 5.019 396 HH22 ARG 59 2HH2 ARG 59 -2.078 -4.943 5.776 397 H GLY 60 H GLY 60 -0.051 -5.797 -2.923 398 HA2 GLY 60 2HA GLY 60 1.117 -8.227 -3.941 399 HA3 GLY 60 1HA GLY 60 -0.501 -8.486 -3.325 400 H HIS 61 H HIS 61 0.025 -5.384 -4.750 401 HA HIS 61 HA HIS 61 -0.911 -6.330 -7.376 402 HB2 HIS 61 2HB HIS 61 -2.207 -4.155 -5.724 403 HB3 HIS 61 1HB HIS 61 -2.472 -4.328 -7.456 404 HD1 HIS 61 HD1 HIS 61 -3.939 -6.272 -8.243 405 HD2 HIS 61 HD2 HIS 61 -3.464 -6.107 -4.118 406 HE1 HIS 61 HE1 HIS 61 -5.660 -7.836 -7.305 407 HE2 HIS 61 HE2 HIS 61 -5.453 -7.606 -4.811 408 HA PRO 62 HA PRO 62 2.707 -3.370 -7.611 409 HB2 PRO 62 2HB PRO 62 3.896 -4.636 -9.743 410 HB3 PRO 62 1HB PRO 62 4.198 -5.050 -8.051 411 HG2 PRO 62 2HG PRO 62 2.351 -6.357 -10.021 412 HG3 PRO 62 1HG PRO 62 3.462 -7.110 -8.861 413 HD2 PRO 62 2HD PRO 62 0.826 -6.934 -8.371 414 HD3 PRO 62 1HD PRO 62 2.021 -6.759 -7.066 415 H ASP 63 H ASP 63 0.410 -4.499 -9.989 416 HA ASP 63 HA ASP 63 1.025 -2.407 -11.903 417 HB2 ASP 63 2HB ASP 63 -0.852 -3.370 -13.185 418 HB3 ASP 63 1HB ASP 63 0.320 -4.594 -12.711 419 H LEU 64 H LEU 64 -0.847 -2.641 -9.102 420 HA LEU 64 HA LEU 64 -3.153 -1.181 -9.797 421 HB2 LEU 64 2HB LEU 64 -3.011 -2.609 -7.823 422 HB3 LEU 64 1HB LEU 64 -1.803 -1.553 -7.121 423 HG LEU 64 HG LEU 64 -3.473 0.248 -6.935 424 HD11 LEU 64 1HD1 LEU 64 -4.890 -0.336 -8.829 425 HD12 LEU 64 2HD1 LEU 64 -5.841 -0.221 -7.350 426 HD13 LEU 64 3HD1 LEU 64 -5.415 -1.804 -8.001 427 HD21 LEU 64 3HD2 LEU 64 -4.806 -0.749 -5.148 428 HD22 LEU 64 1HD2 LEU 64 -3.131 -1.294 -5.062 429 HD23 LEU 64 2HD2 LEU 64 -4.376 -2.364 -5.709 430 H SER 65 H SER 65 -3.163 0.832 -10.545 431 HA SER 65 HA SER 65 -1.660 2.907 -9.072 432 HB2 SER 65 2HB SER 65 -1.956 2.757 -12.092 433 HB3 SER 65 1HB SER 65 -1.234 4.097 -11.206 434 HG SER 65 HG SER 65 -0.175 1.662 -11.882 435 H VAL 66 H VAL 66 -2.610 5.125 -9.395 436 HA VAL 66 HA VAL 66 -5.476 4.932 -9.106 437 HB VAL 66 HB VAL 66 -4.191 6.417 -7.629 438 HG11 VAL 66 1HG1 VAL 66 -2.477 7.145 -9.216 439 HG12 VAL 66 2HG1 VAL 66 -3.253 8.521 -8.436 440 HG13 VAL 66 3HG1 VAL 66 -3.680 8.091 -10.092 441 HG21 VAL 66 3HG2 VAL 66 -6.160 7.897 -9.386 442 HG22 VAL 66 1HG2 VAL 66 -5.658 8.388 -7.766 443 HG23 VAL 66 2HG2 VAL 66 -6.558 6.889 -7.995 444 H MET 67 H MET 67 -7.002 5.320 -10.603 445 HA MET 67 HA MET 67 -6.242 6.277 -13.245 446 HB2 MET 67 2HB MET 67 -8.931 5.434 -12.134 447 HB3 MET 67 1HB MET 67 -8.629 5.864 -13.813 448 HG2 MET 67 2HG MET 67 -7.019 3.996 -13.970 449 HG3 MET 67 1HG MET 67 -7.422 3.544 -12.315 450 HE1 MET 67 3HE MET 67 -9.848 2.716 -11.565 451 HE2 MET 67 1HE MET 67 -11.205 2.530 -12.676 452 HE3 MET 67 2HE MET 67 -10.595 4.138 -12.292 453 H TYR 68 H TYR 68 -8.652 7.241 -10.806 454 HA TYR 68 HA TYR 68 -7.912 10.024 -11.127 455 HB2 TYR 68 2HB TYR 68 -10.377 10.683 -11.379 456 HB3 TYR 68 1HB TYR 68 -9.573 10.041 -12.803 457 HD1 TYR 68 HD2 TYR 68 -10.134 7.803 -13.651 458 HD2 TYR 68 HD1 TYR 68 -12.197 9.465 -10.318 459 HE1 TYR 68 HE2 TYR 68 -11.907 6.121 -13.919 460 HE2 TYR 68 HE1 TYR 68 -13.976 7.789 -10.580 461 HH TYR 68 HH TYR 68 -14.900 6.356 -12.500 462 H ARG 69 H ARG 69 -8.290 11.250 -9.304 463 HA ARG 69 HA ARG 69 -8.674 9.749 -6.887 464 HB2 ARG 69 2HB ARG 69 -8.129 12.679 -7.404 465 HB3 ARG 69 1HB ARG 69 -8.243 11.981 -5.790 466 HG2 ARG 69 2HG ARG 69 -6.355 10.544 -6.215 467 HG3 ARG 69 1HG ARG 69 -6.290 11.060 -7.899 468 HD2 ARG 69 2HD ARG 69 -5.595 13.256 -7.282 469 HD3 ARG 69 1HD ARG 69 -5.928 12.948 -5.577 470 HE ARG 69 HE ARG 69 -4.073 11.077 -6.176 471 HH11 ARG 69 1HH1 ARG 69 -4.134 14.489 -6.728 472 HH12 ARG 69 2HH1 ARG 69 -2.433 14.657 -6.474 473 HH21 ARG 69 1HH2 ARG 69 -1.915 11.313 -5.870 474 HH22 ARG 69 2HH2 ARG 69 -1.189 12.883 -6.011 475 H GLY 70 H GLY 70 -10.415 9.565 -5.649 476 HA2 GLY 70 2HA GLY 70 -12.599 10.510 -4.900 477 HA3 GLY 70 1HA GLY 70 -12.896 10.878 -6.596 478 H ARG 71 H ARG 71 -14.664 9.260 -5.070 479 HA ARG 71 HA ARG 71 -14.167 6.496 -5.397 480 HB2 ARG 71 2HB ARG 71 -16.799 7.976 -5.175 481 HB3 ARG 71 1HB ARG 71 -16.649 6.224 -5.145 482 HG2 ARG 71 2HG ARG 71 -15.124 6.495 -3.151 483 HG3 ARG 71 1HG ARG 71 -15.594 8.195 -3.126 484 HD2 ARG 71 2HD ARG 71 -17.928 7.569 -2.818 485 HD3 ARG 71 1HD ARG 71 -17.501 5.858 -2.916 486 HE ARG 71 HE ARG 71 -16.265 7.477 -0.820 487 HH11 ARG 71 1HH1 ARG 71 -18.539 5.043 -1.693 488 HH12 ARG 71 2HH1 ARG 71 -18.720 4.480 -0.069 489 HH21 ARG 71 1HH2 ARG 71 -16.498 6.741 1.256 490 HH22 ARG 71 2HH2 ARG 71 -17.597 5.447 1.584 491 H CYS 72 H CYS 72 -14.663 5.043 -6.991 492 HA CYS 72 HA CYS 72 -14.232 5.781 -9.599 493 HB2 CYS 72 2HB CYS 72 -15.771 3.330 -8.713 494 HB3 CYS 72 1HB CYS 72 -14.977 3.547 -10.268 495 H ARG 73 H ARG 73 -15.428 7.375 -10.503 496 HA ARG 73 HA ARG 73 -18.303 6.852 -10.938 497 HB2 ARG 73 2HB ARG 73 -18.544 9.311 -11.258 498 HB3 ARG 73 1HB ARG 73 -18.033 8.864 -9.637 499 HG2 ARG 73 2HG ARG 73 -15.761 9.522 -10.112 500 HG3 ARG 73 1HG ARG 73 -16.163 9.831 -11.802 501 HD2 ARG 73 2HD ARG 73 -16.024 11.895 -10.434 502 HD3 ARG 73 1HD ARG 73 -17.607 11.660 -11.175 503 HE ARG 73 HE ARG 73 -17.237 10.746 -8.431 504 HH11 ARG 73 1HH1 ARG 73 -18.500 13.135 -10.565 505 HH12 ARG 73 2HH1 ARG 73 -19.648 13.707 -9.405 506 HH21 ARG 73 1HH2 ARG 73 -18.686 11.501 -6.957 507 HH22 ARG 73 2HH2 ARG 73 -19.738 12.811 -7.380 508 H LYS 74 H LYS 74 -18.924 6.486 -12.958 509 HA LYS 74 HA LYS 74 -18.934 6.250 -15.214 510 HB2 LYS 74 2HB LYS 74 -17.625 8.980 -15.097 511 HB3 LYS 74 1HB LYS 74 -18.428 8.288 -16.504 512 HG2 LYS 74 2HG LYS 74 -20.549 8.271 -15.322 513 HG3 LYS 74 1HG LYS 74 -19.769 8.891 -13.864 514 HD2 LYS 74 2HD LYS 74 -19.166 10.947 -15.075 515 HD3 LYS 74 1HD LYS 74 -19.950 10.318 -16.526 516 HE2 LYS 74 2HE LYS 74 -22.102 10.288 -15.375 517 HE3 LYS 74 1HE LYS 74 -21.335 10.853 -13.889 518 HZ1 LYS 74 3HZ LYS 74 -22.441 12.625 -15.155 519 HZ2 LYS 74 1HZ LYS 74 -21.382 12.364 -16.445 520 HZ3 LYS 74 2HZ LYS 74 -20.787 12.912 -14.961 Start of MODEL 5 1 H1 SER 1 1H SER 1 6.327 1.173 20.327 2 H2 SER 1 2H SER 1 6.423 2.812 20.734 3 H3 SER 1 3H SER 1 7.575 1.726 21.327 4 HA SER 1 HA SER 1 7.176 2.447 18.479 5 HB2 SER 1 2HB SER 1 8.203 4.256 19.846 6 HB3 SER 1 1HB SER 1 9.478 3.139 20.333 7 HG SER 1 HG SER 1 8.893 4.000 17.685 8 H ASP 2 H ASP 2 8.693 1.502 17.020 9 HA ASP 2 HA ASP 2 9.467 -1.187 17.918 10 HB2 ASP 2 2HB ASP 2 9.056 -0.158 15.104 11 HB3 ASP 2 1HB ASP 2 9.308 -1.837 15.579 12 H SER 3 H SER 3 11.422 -2.139 17.299 13 HA SER 3 HA SER 3 13.485 -0.522 16.013 14 HB2 SER 3 2HB SER 3 15.135 -0.918 17.795 15 HB3 SER 3 1HB SER 3 13.762 -0.005 18.416 16 HG SER 3 HG SER 3 14.667 -1.990 19.600 17 H CYS 4 H CYS 4 15.297 -1.780 15.248 18 HA CYS 4 HA CYS 4 15.005 -4.701 15.403 19 HB2 CYS 4 2HB CYS 4 15.422 -4.824 12.913 20 HB3 CYS 4 1HB CYS 4 13.843 -4.203 13.381 21 H ASP 5 H ASP 5 16.904 -5.729 15.658 22 HA ASP 5 HA ASP 5 19.356 -4.184 15.640 23 HB2 ASP 5 2HB ASP 5 20.332 -6.356 16.556 24 HB3 ASP 5 1HB ASP 5 19.111 -5.559 17.540 25 H GLY 6 H GLY 6 20.471 -3.927 13.818 26 HA2 GLY 6 2HA GLY 6 21.711 -4.401 11.955 27 HA3 GLY 6 1HA GLY 6 21.759 -6.055 12.528 28 H VAL 7 H VAL 7 18.713 -4.513 11.699 29 HA VAL 7 HA VAL 7 18.504 -6.332 9.382 30 HB VAL 7 HB VAL 7 16.260 -5.030 10.946 31 HG11 VAL 7 1HG1 VAL 7 15.642 -5.482 8.622 32 HG12 VAL 7 2HG1 VAL 7 14.793 -6.568 9.722 33 HG13 VAL 7 3HG1 VAL 7 16.173 -7.156 8.794 34 HG21 VAL 7 3HG2 VAL 7 17.290 -7.873 11.018 35 HG22 VAL 7 1HG2 VAL 7 15.851 -7.281 11.851 36 HG23 VAL 7 2HG2 VAL 7 17.444 -6.674 12.303 37 H GLU 8 H GLU 8 18.419 -5.503 7.381 38 HA GLU 8 HA GLU 8 18.462 -2.647 6.984 39 HB2 GLU 8 2HB GLU 8 18.729 -3.216 4.578 40 HB3 GLU 8 1HB GLU 8 19.913 -4.005 5.614 41 HG2 GLU 8 2HG GLU 8 18.668 -6.092 5.493 42 HG3 GLU 8 1HG GLU 8 17.422 -5.314 4.521 43 H CYS 9 H CYS 9 16.579 -1.568 7.182 44 HA CYS 9 HA CYS 9 14.420 -2.225 5.341 45 HB2 CYS 9 2HB CYS 9 13.874 -1.958 8.307 46 HB3 CYS 9 1HB CYS 9 12.671 -2.203 7.042 47 H GLY 10 H GLY 10 12.850 -0.476 5.082 48 HA2 GLY 10 2HA GLY 10 12.717 1.984 6.166 49 HA3 GLY 10 1HA GLY 10 14.210 2.093 5.249 50 HA PRO 11 HA PRO 11 12.034 2.934 1.480 51 HB2 PRO 11 2HB PRO 11 13.148 0.581 0.065 52 HB3 PRO 11 1HB PRO 11 13.359 2.301 -0.276 53 HG2 PRO 11 2HG PRO 11 15.353 0.838 0.751 54 HG3 PRO 11 1HG PRO 11 15.101 2.524 1.241 55 HD2 PRO 11 2HD PRO 11 14.335 -0.004 2.680 56 HD3 PRO 11 1HD PRO 11 15.063 1.482 3.329 57 H GLY 12 H GLY 12 9.920 2.420 2.287 58 HA2 GLY 12 2HA GLY 12 7.833 1.529 1.786 59 HA3 GLY 12 1HA GLY 12 8.609 0.379 0.714 60 H LYS 13 H LYS 13 10.193 0.135 3.621 61 HA LYS 13 HA LYS 13 8.278 -1.793 4.759 62 HB2 LYS 13 2HB LYS 13 11.209 -2.356 4.247 63 HB3 LYS 13 1HB LYS 13 10.156 -3.376 5.216 64 HG2 LYS 13 2HG LYS 13 8.729 -3.711 3.191 65 HG3 LYS 13 1HG LYS 13 9.940 -2.828 2.259 66 HD2 LYS 13 2HD LYS 13 10.391 -5.394 3.799 67 HD3 LYS 13 1HD LYS 13 10.276 -5.240 2.045 68 HE2 LYS 13 2HE LYS 13 12.294 -3.890 2.002 69 HE3 LYS 13 1HE LYS 13 12.385 -3.917 3.761 70 HZ1 LYS 13 3HZ LYS 13 12.679 -6.323 3.659 71 HZ2 LYS 13 1HZ LYS 13 13.898 -5.517 2.806 72 HZ3 LYS 13 2HZ LYS 13 12.638 -6.271 1.970 73 H ALA 14 H ALA 14 8.114 -1.761 6.915 74 HA ALA 14 HA ALA 14 10.109 -0.242 8.478 75 HB1 ALA 14 3HB ALA 14 7.216 -0.819 9.151 76 HB2 ALA 14 1HB ALA 14 7.849 0.710 8.540 77 HB3 ALA 14 2HB ALA 14 8.342 0.125 10.129 78 H CYS 15 H CYS 15 10.950 -1.171 10.393 79 HA CYS 15 HA CYS 15 10.706 -4.107 10.431 80 HB2 CYS 15 2HB CYS 15 12.876 -4.154 11.538 81 HB3 CYS 15 1HB CYS 15 12.957 -3.240 10.043 82 H ARG 16 H ARG 16 9.816 -5.160 12.034 83 HA ARG 16 HA ARG 16 9.767 -4.008 14.740 84 HB2 ARG 16 2HB ARG 16 7.576 -3.502 13.858 85 HB3 ARG 16 1HB ARG 16 7.388 -5.140 13.245 86 HG2 ARG 16 2HG ARG 16 7.296 -6.003 15.523 87 HG3 ARG 16 1HG ARG 16 7.552 -4.378 16.164 88 HD2 ARG 16 2HD ARG 16 5.205 -5.197 14.447 89 HD3 ARG 16 1HD ARG 16 5.172 -5.112 16.208 90 HE ARG 16 HE ARG 16 6.052 -2.653 15.203 91 HH11 ARG 16 1HH1 ARG 16 3.172 -4.549 15.287 92 HH12 ARG 16 2HH1 ARG 16 2.143 -3.160 15.264 93 HH21 ARG 16 1HH2 ARG 16 4.731 -0.900 15.190 94 HH22 ARG 16 2HH2 ARG 16 3.011 -1.118 15.212 95 H MET 17 H MET 17 9.886 -5.552 16.419 96 HA MET 17 HA MET 17 10.726 -8.212 15.551 97 HB2 MET 17 2HB MET 17 10.791 -6.931 18.291 98 HB3 MET 17 1HB MET 17 11.444 -8.516 17.896 99 HG2 MET 17 2HG MET 17 12.962 -7.394 16.258 100 HG3 MET 17 1HG MET 17 12.393 -5.847 16.884 101 HE1 MET 17 3HE MET 17 12.939 -9.165 18.868 102 HE2 MET 17 1HE MET 17 14.598 -8.983 19.440 103 HE3 MET 17 2HE MET 17 14.275 -9.189 17.718 104 H LEU 18 H LEU 18 9.212 -9.707 15.295 105 HA LEU 18 HA LEU 18 6.890 -9.790 17.112 106 HB2 LEU 18 2HB LEU 18 7.362 -11.135 14.440 107 HB3 LEU 18 1HB LEU 18 5.957 -11.423 15.448 108 HG LEU 18 HG LEU 18 5.434 -8.938 15.224 109 HD11 LEU 18 1HD1 LEU 18 7.536 -9.130 13.071 110 HD12 LEU 18 2HD1 LEU 18 7.586 -8.116 14.513 111 HD13 LEU 18 3HD1 LEU 18 6.391 -7.801 13.257 112 HD21 LEU 18 3HD2 LEU 18 5.419 -10.642 12.731 113 HD22 LEU 18 1HD2 LEU 18 4.428 -9.209 13.003 114 HD23 LEU 18 2HD2 LEU 18 4.198 -10.642 14.004 115 H GLY 19 H GLY 19 7.170 -11.078 18.834 116 HA2 GLY 19 2HA GLY 19 7.789 -12.853 20.156 117 HA3 GLY 19 1HA GLY 19 7.536 -13.826 18.717 118 H GLY 20 H GLY 20 10.015 -11.327 19.125 119 HA2 GLY 20 2HA GLY 20 12.305 -11.620 19.600 120 HA3 GLY 20 1HA GLY 20 12.101 -13.357 19.459 121 H ARG 21 H ARG 21 10.587 -12.505 16.787 122 HA ARG 21 HA ARG 21 13.036 -12.570 15.154 123 HB2 ARG 21 2HB ARG 21 10.170 -13.263 14.484 124 HB3 ARG 21 1HB ARG 21 11.471 -13.246 13.301 125 HG2 ARG 21 2HG ARG 21 12.642 -14.985 14.613 126 HG3 ARG 21 1HG ARG 21 11.268 -15.036 15.721 127 HD2 ARG 21 2HD ARG 21 9.801 -15.750 13.932 128 HD3 ARG 21 1HD ARG 21 11.101 -15.581 12.752 129 HE ARG 21 HE ARG 21 11.688 -17.421 14.891 130 HH11 ARG 21 1HH1 ARG 21 10.276 -17.052 11.766 131 HH12 ARG 21 2HH1 ARG 21 10.435 -18.729 11.375 132 HH21 ARG 21 1HH2 ARG 21 11.904 -19.568 14.375 133 HH22 ARG 21 2HH2 ARG 21 11.350 -20.138 12.840 134 HA PRO 22 HA PRO 22 12.007 -8.254 14.113 135 HB2 PRO 22 2HB PRO 22 14.370 -7.699 12.890 136 HB3 PRO 22 1HB PRO 22 14.180 -7.697 14.647 137 HG2 PRO 22 2HG PRO 22 15.313 -9.831 12.868 138 HG3 PRO 22 1HG PRO 22 15.913 -9.239 14.429 139 HD2 PRO 22 2HD PRO 22 14.475 -11.537 14.177 140 HD3 PRO 22 1HD PRO 22 14.425 -10.524 15.635 141 H ARG 23 H ARG 23 10.498 -8.300 12.507 142 HA ARG 23 HA ARG 23 11.294 -9.303 9.839 143 HB2 ARG 23 2HB ARG 23 8.545 -9.293 11.112 144 HB3 ARG 23 1HB ARG 23 8.921 -9.892 9.501 145 HG2 ARG 23 2HG ARG 23 10.154 -11.029 12.004 146 HG3 ARG 23 1HG ARG 23 8.657 -11.637 11.299 147 HD2 ARG 23 2HD ARG 23 11.305 -11.490 9.847 148 HD3 ARG 23 1HD ARG 23 10.675 -12.936 10.641 149 HE ARG 23 HE ARG 23 8.976 -11.705 8.624 150 HH11 ARG 23 1HH1 ARG 23 11.252 -14.186 9.379 151 HH12 ARG 23 2HH1 ARG 23 10.759 -15.177 8.051 152 HH21 ARG 23 1HH2 ARG 23 8.353 -12.992 6.944 153 HH22 ARG 23 2HH2 ARG 23 9.139 -14.511 6.688 154 H CYS 24 H CYS 24 10.613 -8.157 8.003 155 HA CYS 24 HA CYS 24 9.348 -5.525 8.464 156 HB2 CYS 24 2HB CYS 24 11.684 -6.126 6.634 157 HB3 CYS 24 1HB CYS 24 10.785 -4.612 6.627 158 H GLU 25 H GLU 25 7.565 -5.219 7.301 159 HA GLU 25 HA GLU 25 7.208 -6.729 4.781 160 HB2 GLU 25 2HB GLU 25 5.026 -5.832 6.684 161 HB3 GLU 25 1HB GLU 25 4.813 -6.780 5.218 162 HG2 GLU 25 2HG GLU 25 6.142 -8.598 6.244 163 HG3 GLU 25 1HG GLU 25 6.233 -7.654 7.732 164 H CYS 26 H CYS 26 5.809 -5.621 3.163 165 HA CYS 26 HA CYS 26 6.613 -2.994 2.663 166 HB2 CYS 26 2HB CYS 26 5.752 -4.377 0.860 167 HB3 CYS 26 1HB CYS 26 4.161 -4.428 1.615 168 H ALA 27 H ALA 27 6.308 -1.556 4.253 169 HA ALA 27 HA ALA 27 3.612 -1.075 5.302 170 HB1 ALA 27 3HB ALA 27 6.282 0.046 6.173 171 HB2 ALA 27 1HB ALA 27 5.401 -1.271 6.949 172 HB3 ALA 27 2HB ALA 27 4.730 0.361 6.952 173 HA PRO 28 HA PRO 28 3.084 2.087 2.165 174 HB2 PRO 28 2HB PRO 28 1.049 3.422 3.552 175 HB3 PRO 28 1HB PRO 28 0.824 2.093 2.412 176 HG2 PRO 28 2HG PRO 28 0.955 2.026 5.399 177 HG3 PRO 28 1HG PRO 28 -0.093 1.109 4.300 178 HD2 PRO 28 2HD PRO 28 2.023 -0.045 5.446 179 HD3 PRO 28 1HD PRO 28 1.602 -0.411 3.758 180 H ASP 29 H ASP 29 4.555 3.646 2.005 181 HA ASP 29 HA ASP 29 5.579 5.098 4.254 182 HB2 ASP 29 2HB ASP 29 6.987 6.221 2.562 183 HB3 ASP 29 1HB ASP 29 7.022 4.470 2.391 184 H CYS 30 H CYS 30 2.788 5.513 3.949 185 HA CYS 30 HA CYS 30 2.097 7.882 2.587 186 HB2 CYS 30 2HB CYS 30 0.712 6.632 4.973 187 HB3 CYS 30 1HB CYS 30 -0.001 7.746 3.810 188 H SER 31 H SER 31 3.260 9.674 3.066 189 HA SER 31 HA SER 31 2.999 10.727 5.812 190 HB2 SER 31 2HB SER 31 5.349 10.026 5.402 191 HB3 SER 31 1HB SER 31 5.415 11.115 4.017 192 HG SER 31 HG SER 31 5.972 11.706 6.491 193 H GLY 32 H GLY 32 1.270 12.026 5.359 194 HA2 GLY 32 2HA GLY 32 0.754 14.353 4.785 195 HA3 GLY 32 1HA GLY 32 1.651 14.118 3.294 196 H LEU 33 H LEU 33 -0.170 11.373 4.011 197 HA LEU 33 HA LEU 33 -2.167 12.131 1.992 198 HB2 LEU 33 2HB LEU 33 -1.361 9.398 3.002 199 HB3 LEU 33 1HB LEU 33 -2.566 9.700 1.763 200 HG LEU 33 HG LEU 33 0.393 10.292 1.560 201 HD11 LEU 33 1HD1 LEU 33 -0.129 7.921 1.387 202 HD12 LEU 33 2HD1 LEU 33 0.377 8.566 -0.174 203 HD13 LEU 33 3HD1 LEU 33 -1.332 8.261 0.141 204 HD21 LEU 33 3HD2 LEU 33 -0.857 11.997 0.372 205 HD22 LEU 33 1HD2 LEU 33 -1.824 10.766 -0.440 206 HD23 LEU 33 2HD2 LEU 33 -0.099 10.902 -0.783 207 HA PRO 34 HA PRO 34 -4.959 12.343 5.509 208 HB2 PRO 34 2HB PRO 34 -7.024 13.523 4.260 209 HB3 PRO 34 1HB PRO 34 -5.529 14.398 4.610 210 HG2 PRO 34 2HG PRO 34 -6.427 13.143 2.038 211 HG3 PRO 34 1HG PRO 34 -5.669 14.726 2.302 212 HD2 PRO 34 2HD PRO 34 -4.301 12.497 1.468 213 HD3 PRO 34 1HD PRO 34 -3.553 13.834 2.367 214 H ALA 35 H ALA 35 -6.803 11.270 6.267 215 HA ALA 35 HA ALA 35 -7.614 8.897 4.866 216 HB1 ALA 35 3HB ALA 35 -7.362 8.893 7.297 217 HB2 ALA 35 1HB ALA 35 -9.010 8.463 6.832 218 HB3 ALA 35 2HB ALA 35 -8.657 10.082 7.440 219 H ARG 36 H ARG 36 -9.933 8.347 4.545 220 HA ARG 36 HA ARG 36 -11.995 8.666 3.658 221 HB2 ARG 36 2HB ARG 36 -11.742 11.512 4.661 222 HB3 ARG 36 1HB ARG 36 -13.223 10.759 4.085 223 HG2 ARG 36 2HG ARG 36 -11.640 9.948 6.524 224 HG3 ARG 36 1HG ARG 36 -13.179 10.811 6.507 225 HD2 ARG 36 2HD ARG 36 -14.266 8.879 5.473 226 HD3 ARG 36 1HD ARG 36 -12.726 8.017 5.442 227 HE ARG 36 HE ARG 36 -13.067 8.647 8.063 228 HH11 ARG 36 1HH1 ARG 36 -15.035 7.010 5.743 229 HH12 ARG 36 2HH1 ARG 36 -15.782 6.008 6.936 230 HH21 ARG 36 1HH2 ARG 36 -14.021 7.360 9.565 231 HH22 ARG 36 2HH2 ARG 36 -15.213 6.202 9.082 232 H LEU 37 H LEU 37 -9.346 10.580 2.603 233 HA LEU 37 HA LEU 37 -10.570 11.713 0.284 234 HB2 LEU 37 2HB LEU 37 -8.346 12.364 1.472 235 HB3 LEU 37 1HB LEU 37 -7.632 11.079 0.523 236 HG LEU 37 HG LEU 37 -7.290 13.300 -0.490 237 HD11 LEU 37 1HD1 LEU 37 -7.995 12.783 -2.758 238 HD12 LEU 37 2HD1 LEU 37 -9.115 11.563 -2.154 239 HD13 LEU 37 3HD1 LEU 37 -7.378 11.337 -1.955 240 HD21 LEU 37 3HD2 LEU 37 -9.315 14.395 0.303 241 HD22 LEU 37 1HD2 LEU 37 -10.300 13.369 -0.744 242 HD23 LEU 37 2HD2 LEU 37 -9.176 14.534 -1.448 243 H GLN 38 H GLN 38 -11.709 10.058 -0.705 244 HA GLN 38 HA GLN 38 -10.619 7.488 -1.250 245 HB2 GLN 38 2HB GLN 38 -13.100 8.868 -2.295 246 HB3 GLN 38 1HB GLN 38 -12.708 7.179 -2.599 247 HG2 GLN 38 2HG GLN 38 -12.771 6.718 -0.202 248 HG3 GLN 38 1HG GLN 38 -13.136 8.411 0.120 249 HE21 GLN 38 1HE2 GLN 38 -14.659 5.963 0.715 250 HE22 GLN 38 2HE2 GLN 38 -16.203 6.186 -0.020 251 H VAL 39 H VAL 39 -9.863 6.570 -3.100 252 HA VAL 39 HA VAL 39 -9.557 8.225 -5.520 253 HB VAL 39 HB VAL 39 -7.237 7.480 -5.820 254 HG11 VAL 39 1HG1 VAL 39 -7.680 8.808 -3.139 255 HG12 VAL 39 2HG1 VAL 39 -7.584 9.614 -4.704 256 HG13 VAL 39 3HG1 VAL 39 -6.164 8.803 -4.043 257 HG21 VAL 39 3HG2 VAL 39 -7.525 6.211 -3.090 258 HG22 VAL 39 1HG2 VAL 39 -6.024 6.345 -4.008 259 HG23 VAL 39 2HG2 VAL 39 -7.348 5.356 -4.622 260 H CYS 40 H CYS 40 -9.176 6.951 -7.492 261 HA CYS 40 HA CYS 40 -10.292 4.234 -7.251 262 HB2 CYS 40 2HB CYS 40 -10.063 6.069 -9.637 263 HB3 CYS 40 1HB CYS 40 -10.636 4.407 -9.735 264 H GLY 41 H GLY 41 -9.175 2.448 -7.715 265 HA2 GLY 41 2HA GLY 41 -6.334 2.663 -8.271 266 HA3 GLY 41 1HA GLY 41 -7.225 1.193 -7.910 267 H SER 42 H SER 42 -5.385 0.933 -9.776 268 HA SER 42 HA SER 42 -6.083 1.620 -12.424 269 HB2 SER 42 2HB SER 42 -3.797 0.957 -11.765 270 HB3 SER 42 1HB SER 42 -4.357 -0.690 -11.485 271 HG SER 42 HG SER 42 -5.111 -0.418 -13.840 272 H ASP 43 H ASP 43 -7.529 -0.682 -10.388 273 HA ASP 43 HA ASP 43 -8.360 -2.475 -12.524 274 HB2 ASP 43 2HB ASP 43 -9.438 -3.761 -10.798 275 HB3 ASP 43 1HB ASP 43 -7.845 -3.289 -10.212 276 H GLY 44 H GLY 44 -9.579 0.290 -10.804 277 HA2 GLY 44 2HA GLY 44 -11.289 1.594 -11.993 278 HA3 GLY 44 1HA GLY 44 -12.113 0.083 -12.326 279 H ALA 45 H ALA 45 -11.015 -0.164 -9.204 280 HA ALA 45 HA ALA 45 -13.669 0.553 -8.161 281 HB1 ALA 45 3HB ALA 45 -12.837 -1.735 -7.774 282 HB2 ALA 45 1HB ALA 45 -13.147 -0.865 -6.271 283 HB3 ALA 45 2HB ALA 45 -11.492 -1.070 -6.846 284 H THR 46 H THR 46 -13.945 1.728 -6.225 285 HA THR 46 HA THR 46 -11.928 3.802 -5.815 286 HB THR 46 HB THR 46 -14.716 3.585 -4.634 287 HG1 THR 46 HG1 THR 46 -14.041 4.107 -7.109 288 HG21 THR 46 3HG2 THR 46 -12.781 5.912 -4.723 289 HG22 THR 46 1HG2 THR 46 -13.250 5.007 -3.285 290 HG23 THR 46 2HG2 THR 46 -14.442 5.986 -4.139 291 H TYR 47 H TYR 47 -10.442 3.598 -4.278 292 HA TYR 47 HA TYR 47 -10.855 1.926 -1.936 293 HB2 TYR 47 2HB TYR 47 -8.496 3.586 -2.859 294 HB3 TYR 47 1HB TYR 47 -8.507 2.638 -1.375 295 HD1 TYR 47 HD2 TYR 47 -8.828 2.348 -5.074 296 HD2 TYR 47 HD1 TYR 47 -7.971 0.347 -1.417 297 HE1 TYR 47 HE2 TYR 47 -8.085 0.370 -6.332 298 HE2 TYR 47 HE1 TYR 47 -7.227 -1.635 -2.663 299 HH TYR 47 HH TYR 47 -7.442 -2.662 -4.786 300 H ARG 48 H ARG 48 -11.069 2.652 0.158 301 HA ARG 48 HA ARG 48 -12.449 5.044 0.583 302 HB2 ARG 48 2HB ARG 48 -12.206 4.523 3.003 303 HB3 ARG 48 1HB ARG 48 -12.772 3.165 2.039 304 HG2 ARG 48 2HG ARG 48 -10.371 2.363 1.989 305 HG3 ARG 48 1HG ARG 48 -10.035 3.588 3.216 306 HD2 ARG 48 2HD ARG 48 -10.454 1.442 4.271 307 HD3 ARG 48 1HD ARG 48 -11.745 2.577 4.673 308 HE ARG 48 HE ARG 48 -12.454 1.055 2.398 309 HH11 ARG 48 1HH1 ARG 48 -12.167 0.816 5.818 310 HH12 ARG 48 2HH1 ARG 48 -13.289 -0.492 5.931 311 HH21 ARG 48 1HH2 ARG 48 -13.927 -0.594 2.558 312 HH22 ARG 48 2HH2 ARG 48 -14.277 -1.279 4.106 313 H ASP 49 H ASP 49 -9.056 4.560 0.437 314 HA ASP 49 HA ASP 49 -8.622 7.364 0.467 315 HB2 ASP 49 2HB ASP 49 -7.020 7.474 2.347 316 HB3 ASP 49 1HB ASP 49 -8.651 7.097 2.885 317 H GLU 50 H GLU 50 -6.339 7.925 0.006 318 HA GLU 50 HA GLU 50 -5.343 6.302 -2.074 319 HB2 GLU 50 2HB GLU 50 -5.052 8.759 -1.952 320 HB3 GLU 50 1HB GLU 50 -3.917 8.544 -0.626 321 HG2 GLU 50 2HG GLU 50 -2.392 7.340 -2.087 322 HG3 GLU 50 1HG GLU 50 -3.542 7.459 -3.417 323 H CYS 51 H CYS 51 -4.506 6.460 1.328 324 HA CYS 51 HA CYS 51 -1.983 5.131 1.096 325 HB2 CYS 51 2HB CYS 51 -2.741 6.559 3.061 326 HB3 CYS 51 1HB CYS 51 -3.729 5.191 3.566 327 H GLU 52 H GLU 52 -5.298 4.070 1.627 328 HA GLU 52 HA GLU 52 -4.940 1.352 2.129 329 HB2 GLU 52 2HB GLU 52 -7.114 2.487 2.224 330 HB3 GLU 52 1HB GLU 52 -7.079 2.738 0.486 331 HG2 GLU 52 2HG GLU 52 -8.566 0.941 0.960 332 HG3 GLU 52 1HG GLU 52 -7.135 0.278 0.176 333 H LEU 53 H LEU 53 -5.317 2.984 -1.017 334 HA LEU 53 HA LEU 53 -4.817 0.749 -2.670 335 HB2 LEU 53 2HB LEU 53 -5.827 2.992 -3.296 336 HB3 LEU 53 1HB LEU 53 -4.204 3.645 -3.298 337 HG LEU 53 HG LEU 53 -5.050 1.368 -5.106 338 HD11 LEU 53 1HD1 LEU 53 -5.277 3.060 -6.875 339 HD12 LEU 53 2HD1 LEU 53 -5.041 4.332 -5.676 340 HD13 LEU 53 3HD1 LEU 53 -6.457 3.283 -5.585 341 HD21 LEU 53 3HD2 LEU 53 -2.719 3.292 -5.231 342 HD22 LEU 53 1HD2 LEU 53 -3.100 2.058 -6.435 343 HD23 LEU 53 2HD2 LEU 53 -2.635 1.585 -4.802 344 H ARG 54 H ARG 54 -2.673 3.293 -1.443 345 HA ARG 54 HA ARG 54 -0.296 2.591 -2.701 346 HB2 ARG 54 2HB ARG 54 -0.841 4.649 -1.309 347 HB3 ARG 54 1HB ARG 54 -0.509 3.675 0.113 348 HG2 ARG 54 2HG ARG 54 1.788 3.387 -0.560 349 HG3 ARG 54 1HG ARG 54 1.477 4.207 -2.094 350 HD2 ARG 54 2HD ARG 54 0.809 6.235 -0.771 351 HD3 ARG 54 1HD ARG 54 1.367 5.401 0.677 352 HE ARG 54 HE ARG 54 3.606 5.371 -0.393 353 HH11 ARG 54 1HH1 ARG 54 1.272 7.688 -1.447 354 HH12 ARG 54 2HH1 ARG 54 2.468 8.828 -1.942 355 HH21 ARG 54 1HH2 ARG 54 5.128 6.850 -1.035 356 HH22 ARG 54 2HH2 ARG 54 4.624 8.354 -1.724 357 H ALA 55 H ALA 55 -1.778 1.262 0.207 358 HA ALA 55 HA ALA 55 0.427 -0.550 0.737 359 HB1 ALA 55 3HB ALA 55 -0.908 0.396 2.576 360 HB2 ALA 55 1HB ALA 55 -0.948 -1.366 2.571 361 HB3 ALA 55 2HB ALA 55 -2.329 -0.451 1.970 362 H ALA 56 H ALA 56 -2.701 -0.651 -0.861 363 HA ALA 56 HA ALA 56 -3.071 -3.437 -0.983 364 HB1 ALA 56 3HB ALA 56 -4.677 -2.981 -2.751 365 HB2 ALA 56 1HB ALA 56 -4.033 -1.348 -2.939 366 HB3 ALA 56 2HB ALA 56 -4.846 -1.810 -1.443 367 H ARG 57 H ARG 57 -1.142 -1.286 -2.961 368 HA ARG 57 HA ARG 57 -0.670 -2.855 -5.207 369 HB2 ARG 57 2HB ARG 57 0.064 -0.495 -4.887 370 HB3 ARG 57 1HB ARG 57 1.327 -1.060 -3.803 371 HG2 ARG 57 2HG ARG 57 2.360 -2.304 -5.626 372 HG3 ARG 57 1HG ARG 57 1.072 -1.792 -6.718 373 HD2 ARG 57 2HD ARG 57 1.741 0.567 -6.337 374 HD3 ARG 57 1HD ARG 57 3.079 -0.004 -5.340 375 HE ARG 57 HE ARG 57 3.181 -1.237 -7.868 376 HH11 ARG 57 1HH1 ARG 57 3.766 1.804 -6.352 377 HH12 ARG 57 2HH1 ARG 57 4.889 2.305 -7.563 378 HH21 ARG 57 1HH2 ARG 57 4.637 -0.576 -9.400 379 HH22 ARG 57 2HH2 ARG 57 5.380 0.979 -9.258 380 H CYS 58 H CYS 58 0.723 -3.110 -1.984 381 HA CYS 58 HA CYS 58 2.650 -5.135 -2.823 382 HB2 CYS 58 2HB CYS 58 2.069 -3.919 -0.120 383 HB3 CYS 58 1HB CYS 58 3.296 -5.149 -0.402 384 H ARG 59 H ARG 59 -0.468 -5.454 -2.599 385 HA ARG 59 HA ARG 59 -0.518 -7.841 -0.888 386 HB2 ARG 59 2HB ARG 59 -2.755 -6.322 -2.242 387 HB3 ARG 59 1HB ARG 59 -2.982 -7.771 -1.271 388 HG2 ARG 59 2HG ARG 59 -2.074 -6.621 0.684 389 HG3 ARG 59 1HG ARG 59 -1.821 -5.166 -0.281 390 HD2 ARG 59 2HD ARG 59 -4.257 -5.055 -0.698 391 HD3 ARG 59 1HD ARG 59 -4.479 -6.472 0.333 392 HE ARG 59 HE ARG 59 -3.249 -4.882 2.028 393 HH11 ARG 59 1HH1 ARG 59 -5.784 -4.090 -0.191 394 HH12 ARG 59 2HH1 ARG 59 -6.377 -2.806 0.807 395 HH21 ARG 59 1HH2 ARG 59 -4.050 -3.225 3.268 396 HH22 ARG 59 2HH2 ARG 59 -5.425 -2.331 2.718 397 H GLY 60 H GLY 60 0.454 -7.379 -3.914 398 HA2 GLY 60 2HA GLY 60 0.867 -9.651 -4.973 399 HA3 GLY 60 1HA GLY 60 -0.878 -9.813 -4.955 400 H HIS 61 H HIS 61 -0.286 -6.620 -5.654 401 HA HIS 61 HA HIS 61 0.073 -7.099 -8.537 402 HB2 HIS 61 2HB HIS 61 -2.199 -5.660 -7.206 403 HB3 HIS 61 1HB HIS 61 -1.660 -5.128 -8.794 404 HD1 HIS 61 HD1 HIS 61 -4.362 -6.813 -7.710 405 HD2 HIS 61 HD2 HIS 61 -1.306 -7.992 -10.272 406 HE1 HIS 61 HE1 HIS 61 -5.324 -8.658 -9.111 407 HE2 HIS 61 HE2 HIS 61 -3.535 -9.188 -10.789 408 HA PRO 62 HA PRO 62 3.051 -3.712 -7.428 409 HB2 PRO 62 2HB PRO 62 4.312 -4.919 -9.844 410 HB3 PRO 62 1HB PRO 62 5.047 -4.473 -8.299 411 HG2 PRO 62 2HG PRO 62 4.638 -7.033 -8.914 412 HG3 PRO 62 1HG PRO 62 4.376 -6.445 -7.260 413 HD2 PRO 62 2HD PRO 62 2.355 -7.043 -9.402 414 HD3 PRO 62 1HD PRO 62 2.297 -7.413 -7.665 415 H ASP 63 H ASP 63 1.314 -4.764 -10.214 416 HA ASP 63 HA ASP 63 1.694 -2.455 -11.854 417 HB2 ASP 63 2HB ASP 63 -0.355 -3.489 -13.053 418 HB3 ASP 63 1HB ASP 63 1.149 -4.406 -13.023 419 H LEU 64 H LEU 64 -0.379 -3.150 -9.179 420 HA LEU 64 HA LEU 64 -2.585 -1.512 -9.875 421 HB2 LEU 64 2HB LEU 64 -2.717 -3.256 -8.165 422 HB3 LEU 64 1HB LEU 64 -1.601 -2.367 -7.148 423 HG LEU 64 HG LEU 64 -3.264 -0.545 -6.932 424 HD11 LEU 64 1HD1 LEU 64 -4.445 -0.844 -9.044 425 HD12 LEU 64 2HD1 LEU 64 -5.565 -0.891 -7.683 426 HD13 LEU 64 3HD1 LEU 64 -5.085 -2.390 -8.481 427 HD21 LEU 64 3HD2 LEU 64 -3.178 -2.291 -5.237 428 HD22 LEU 64 1HD2 LEU 64 -4.292 -3.285 -6.177 429 HD23 LEU 64 2HD2 LEU 64 -4.839 -1.757 -5.487 430 H SER 65 H SER 65 -2.449 0.593 -10.255 431 HA SER 65 HA SER 65 -0.990 2.311 -8.347 432 HB2 SER 65 2HB SER 65 -1.076 2.598 -11.366 433 HB3 SER 65 1HB SER 65 -0.443 3.827 -10.270 434 HG SER 65 HG SER 65 0.527 1.162 -10.513 435 H VAL 66 H VAL 66 -1.757 4.584 -8.353 436 HA VAL 66 HA VAL 66 -4.663 4.664 -8.401 437 HB VAL 66 HB VAL 66 -3.566 5.603 -6.458 438 HG11 VAL 66 1HG1 VAL 66 -2.165 7.616 -6.577 439 HG12 VAL 66 2HG1 VAL 66 -2.234 7.556 -8.339 440 HG13 VAL 66 3HG1 VAL 66 -1.443 6.259 -7.443 441 HG21 VAL 66 3HG2 VAL 66 -4.638 7.804 -6.372 442 HG22 VAL 66 1HG2 VAL 66 -5.686 6.615 -7.147 443 HG23 VAL 66 2HG2 VAL 66 -4.817 7.795 -8.128 444 H MET 67 H MET 67 -5.867 5.529 -9.985 445 HA MET 67 HA MET 67 -4.572 6.692 -12.293 446 HB2 MET 67 2HB MET 67 -7.483 6.130 -11.702 447 HB3 MET 67 1HB MET 67 -6.902 6.787 -13.226 448 HG2 MET 67 2HG MET 67 -5.452 4.742 -13.436 449 HG3 MET 67 1HG MET 67 -6.318 4.083 -12.047 450 HE1 MET 67 3HE MET 67 -9.973 3.779 -13.416 451 HE2 MET 67 1HE MET 67 -9.318 5.194 -12.587 452 HE3 MET 67 2HE MET 67 -8.905 3.572 -12.029 453 H TYR 68 H TYR 68 -6.864 7.863 -9.826 454 HA TYR 68 HA TYR 68 -5.795 10.504 -9.996 455 HB2 TYR 68 2HB TYR 68 -7.923 11.641 -10.645 456 HB3 TYR 68 1HB TYR 68 -7.186 10.716 -11.944 457 HD1 TYR 68 HD2 TYR 68 -8.250 8.691 -12.794 458 HD2 TYR 68 HD1 TYR 68 -10.071 10.971 -9.689 459 HE1 TYR 68 HE2 TYR 68 -10.378 7.540 -13.203 460 HE2 TYR 68 HE1 TYR 68 -12.211 9.821 -10.093 461 HH TYR 68 HH TYR 68 -12.477 7.018 -11.987 462 H ARG 69 H ARG 69 -6.629 11.955 -8.390 463 HA ARG 69 HA ARG 69 -7.578 10.605 -6.020 464 HB2 ARG 69 2HB ARG 69 -6.689 13.424 -6.599 465 HB3 ARG 69 1HB ARG 69 -7.483 13.030 -5.082 466 HG2 ARG 69 2HG ARG 69 -5.098 13.001 -4.762 467 HG3 ARG 69 1HG ARG 69 -5.725 11.361 -4.615 468 HD2 ARG 69 2HD ARG 69 -5.040 10.953 -6.975 469 HD3 ARG 69 1HD ARG 69 -4.293 12.553 -6.994 470 HE ARG 69 HE ARG 69 -3.333 11.019 -4.814 471 HH11 ARG 69 1HH1 ARG 69 -3.003 11.359 -8.234 472 HH12 ARG 69 2HH1 ARG 69 -1.428 10.652 -8.252 473 HH21 ARG 69 1HH2 ARG 69 -1.308 10.125 -4.865 474 HH22 ARG 69 2HH2 ARG 69 -0.472 10.005 -6.379 475 H GLY 70 H GLY 70 -9.672 10.097 -5.939 476 HA2 GLY 70 2HA GLY 70 -11.787 11.574 -5.390 477 HA3 GLY 70 1HA GLY 70 -11.685 11.862 -7.122 478 H ARG 71 H ARG 71 -13.968 10.757 -6.209 479 HA ARG 71 HA ARG 71 -13.885 7.885 -6.234 480 HB2 ARG 71 2HB ARG 71 -16.262 9.728 -6.570 481 HB3 ARG 71 1HB ARG 71 -16.332 8.005 -6.227 482 HG2 ARG 71 2HG ARG 71 -15.065 8.496 -4.099 483 HG3 ARG 71 1HG ARG 71 -15.345 10.208 -4.431 484 HD2 ARG 71 2HD ARG 71 -17.035 9.347 -2.909 485 HD3 ARG 71 1HD ARG 71 -17.769 9.793 -4.450 486 HE ARG 71 HE ARG 71 -17.107 7.083 -4.562 487 HH11 ARG 71 1HH1 ARG 71 -19.302 9.156 -2.907 488 HH12 ARG 71 2HH1 ARG 71 -20.453 7.896 -2.640 489 HH21 ARG 71 1HH2 ARG 71 -18.587 5.487 -4.237 490 HH22 ARG 71 2HH2 ARG 71 -20.051 5.834 -3.380 491 H CYS 72 H CYS 72 -14.681 6.481 -7.827 492 HA CYS 72 HA CYS 72 -13.908 7.027 -10.453 493 HB2 CYS 72 2HB CYS 72 -15.762 4.868 -9.426 494 HB3 CYS 72 1HB CYS 72 -15.049 4.896 -11.042 495 H ARG 73 H ARG 73 -14.755 8.330 -11.877 496 HA ARG 73 HA ARG 73 -17.590 9.054 -11.707 497 HB2 ARG 73 2HB ARG 73 -15.364 10.353 -13.299 498 HB3 ARG 73 1HB ARG 73 -16.995 10.979 -13.095 499 HG2 ARG 73 2HG ARG 73 -14.960 10.613 -10.897 500 HG3 ARG 73 1HG ARG 73 -15.393 12.140 -11.668 501 HD2 ARG 73 2HD ARG 73 -17.655 11.973 -10.823 502 HD3 ARG 73 1HD ARG 73 -17.323 10.374 -10.156 503 HE ARG 73 HE ARG 73 -15.485 11.935 -8.945 504 HH11 ARG 73 1HH1 ARG 73 -18.897 12.247 -9.333 505 HH12 ARG 73 2HH1 ARG 73 -19.108 12.999 -7.790 506 HH21 ARG 73 1HH2 ARG 73 -15.772 12.916 -6.981 507 HH22 ARG 73 2HH2 ARG 73 -17.359 13.380 -6.476 508 H LYS 74 H LYS 74 -19.022 8.793 -13.342 509 HA LYS 74 HA LYS 74 -18.067 7.822 -15.960 510 HB2 LYS 74 2HB LYS 74 -19.021 5.926 -14.681 511 HB3 LYS 74 1HB LYS 74 -20.535 6.806 -14.520 512 HG2 LYS 74 2HG LYS 74 -20.705 5.148 -16.282 513 HG3 LYS 74 1HG LYS 74 -20.811 6.772 -16.963 514 HD2 LYS 74 2HD LYS 74 -19.400 5.410 -18.369 515 HD3 LYS 74 1HD LYS 74 -18.410 6.635 -17.573 516 HE2 LYS 74 2HE LYS 74 -17.260 4.499 -17.542 517 HE3 LYS 74 1HE LYS 74 -17.718 4.952 -15.901 518 HZ1 LYS 74 3HZ LYS 74 -19.653 3.473 -16.117 519 HZ2 LYS 74 1HZ LYS 74 -18.189 2.642 -16.270 520 HZ3 LYS 74 2HZ LYS 74 -19.111 2.993 -17.643 Start of MODEL 6 1 H1 SER 1 1H SER 1 12.156 4.851 12.547 2 H2 SER 1 2H SER 1 10.951 5.704 11.722 3 H3 SER 1 3H SER 1 10.941 4.013 11.721 4 HA SER 1 HA SER 1 10.558 5.752 14.094 5 HB2 SER 1 2HB SER 1 8.553 4.034 12.598 6 HB3 SER 1 1HB SER 1 8.222 4.964 14.061 7 HG SER 1 HG SER 1 7.858 6.601 12.806 8 H ASP 2 H ASP 2 9.774 2.428 13.035 9 HA ASP 2 HA ASP 2 10.322 1.323 15.624 10 HB2 ASP 2 2HB ASP 2 10.145 -0.880 14.173 11 HB3 ASP 2 1HB ASP 2 8.714 0.082 14.530 12 H SER 3 H SER 3 11.933 -0.347 16.064 13 HA SER 3 HA SER 3 14.522 0.429 14.938 14 HB2 SER 3 2HB SER 3 15.469 -0.755 16.918 15 HB3 SER 3 1HB SER 3 14.345 0.526 17.356 16 HG SER 3 HG SER 3 14.246 -2.047 18.017 17 H CYS 4 H CYS 4 15.495 -0.782 13.436 18 HA CYS 4 HA CYS 4 14.726 -3.625 13.159 19 HB2 CYS 4 2HB CYS 4 16.192 -1.900 11.150 20 HB3 CYS 4 1HB CYS 4 15.458 -3.473 10.870 21 H ASP 5 H ASP 5 16.169 -5.166 13.752 22 HA ASP 5 HA ASP 5 18.979 -4.506 14.143 23 HB2 ASP 5 2HB ASP 5 17.593 -7.189 14.420 24 HB3 ASP 5 1HB ASP 5 19.193 -6.767 15.021 25 H GLY 6 H GLY 6 20.296 -4.465 12.388 26 HA2 GLY 6 2HA GLY 6 21.400 -5.205 10.501 27 HA3 GLY 6 1HA GLY 6 20.537 -6.726 10.647 28 H VAL 7 H VAL 7 17.892 -5.692 10.422 29 HA VAL 7 HA VAL 7 17.557 -5.678 7.621 30 HB VAL 7 HB VAL 7 15.484 -4.752 9.622 31 HG11 VAL 7 1HG1 VAL 7 14.860 -4.482 7.292 32 HG12 VAL 7 2HG1 VAL 7 13.898 -5.758 8.039 33 HG13 VAL 7 3HG1 VAL 7 15.238 -6.174 6.969 34 HG21 VAL 7 3HG2 VAL 7 16.453 -6.802 10.491 35 HG22 VAL 7 1HG2 VAL 7 16.213 -7.604 8.937 36 HG23 VAL 7 2HG2 VAL 7 14.819 -7.102 9.897 37 H GLU 8 H GLU 8 16.937 -4.024 6.195 38 HA GLU 8 HA GLU 8 17.394 -1.276 7.157 39 HB2 GLU 8 2HB GLU 8 17.882 -0.640 4.877 40 HB3 GLU 8 1HB GLU 8 18.841 -2.051 5.291 41 HG2 GLU 8 2HG GLU 8 16.344 -2.032 3.592 42 HG3 GLU 8 1HG GLU 8 18.001 -2.178 3.013 43 H CYS 9 H CYS 9 15.535 -0.353 7.790 44 HA CYS 9 HA CYS 9 13.285 -0.273 5.957 45 HB2 CYS 9 2HB CYS 9 13.085 -1.579 8.671 46 HB3 CYS 9 1HB CYS 9 11.675 -1.000 7.783 47 H GLY 10 H GLY 10 11.345 0.881 7.312 48 HA2 GLY 10 2HA GLY 10 11.148 2.875 8.853 49 HA3 GLY 10 1HA GLY 10 12.572 3.479 8.013 50 HA PRO 11 HA PRO 11 9.643 4.662 4.719 51 HB2 PRO 11 2HB PRO 11 11.278 4.975 2.625 52 HB3 PRO 11 1HB PRO 11 11.398 6.033 4.037 53 HG2 PRO 11 2HG PRO 11 13.161 3.785 3.200 54 HG3 PRO 11 1HG PRO 11 13.572 5.279 4.056 55 HD2 PRO 11 2HD PRO 11 13.130 2.721 5.210 56 HD3 PRO 11 1HD PRO 11 13.334 4.258 6.073 57 H GLY 12 H GLY 12 8.235 3.449 3.527 58 HA2 GLY 12 2HA GLY 12 7.491 1.897 1.973 59 HA3 GLY 12 1HA GLY 12 9.156 1.449 1.664 60 H LYS 13 H LYS 13 9.781 0.721 4.409 61 HA LYS 13 HA LYS 13 7.998 -1.592 4.856 62 HB2 LYS 13 2HB LYS 13 11.027 -1.633 4.884 63 HB3 LYS 13 1HB LYS 13 10.009 -2.954 5.435 64 HG2 LYS 13 2HG LYS 13 9.100 -3.193 3.169 65 HG3 LYS 13 1HG LYS 13 10.143 -1.880 2.627 66 HD2 LYS 13 2HD LYS 13 11.058 -4.528 3.770 67 HD3 LYS 13 1HD LYS 13 11.128 -4.050 2.073 68 HE2 LYS 13 2HE LYS 13 12.731 -2.311 2.579 69 HE3 LYS 13 1HE LYS 13 12.567 -2.611 4.309 70 HZ1 LYS 13 3HZ LYS 13 14.554 -3.655 3.555 71 HZ2 LYS 13 1HZ LYS 13 13.747 -4.435 2.286 72 HZ3 LYS 13 2HZ LYS 13 13.435 -4.878 3.883 73 H ALA 14 H ALA 14 7.675 -2.188 6.985 74 HA ALA 14 HA ALA 14 9.095 -0.635 9.072 75 HB1 ALA 14 3HB ALA 14 6.746 0.046 8.908 76 HB2 ALA 14 1HB ALA 14 7.071 -0.759 10.444 77 HB3 ALA 14 2HB ALA 14 6.238 -1.626 9.152 78 H CYS 15 H CYS 15 10.096 -1.798 10.659 79 HA CYS 15 HA CYS 15 9.897 -4.730 10.480 80 HB2 CYS 15 2HB CYS 15 12.048 -4.786 11.679 81 HB3 CYS 15 1HB CYS 15 12.146 -3.848 10.196 82 H ARG 16 H ARG 16 8.872 -5.836 11.967 83 HA ARG 16 HA ARG 16 8.443 -4.636 14.630 84 HB2 ARG 16 2HB ARG 16 6.190 -5.729 14.610 85 HB3 ARG 16 1HB ARG 16 6.383 -4.450 13.421 86 HG2 ARG 16 2HG ARG 16 7.079 -6.563 11.909 87 HG3 ARG 16 1HG ARG 16 5.980 -7.356 13.039 88 HD2 ARG 16 2HD ARG 16 5.349 -4.945 11.330 89 HD3 ARG 16 1HD ARG 16 4.805 -6.595 11.039 90 HE ARG 16 HE ARG 16 4.033 -5.207 13.511 91 HH11 ARG 16 1HH1 ARG 16 3.180 -6.738 10.546 92 HH12 ARG 16 2HH1 ARG 16 1.484 -6.710 10.884 93 HH21 ARG 16 1HH2 ARG 16 1.849 -5.173 13.943 94 HH22 ARG 16 2HH2 ARG 16 0.742 -5.852 12.800 95 H MET 17 H MET 17 7.809 -6.303 16.310 96 HA MET 17 HA MET 17 9.909 -8.291 16.293 97 HB2 MET 17 2HB MET 17 7.868 -7.639 18.432 98 HB3 MET 17 1HB MET 17 9.289 -8.650 18.643 99 HG2 MET 17 2HG MET 17 9.470 -5.760 17.838 100 HG3 MET 17 1HG MET 17 9.418 -6.278 19.520 101 HE1 MET 17 3HE MET 17 11.571 -5.723 16.384 102 HE2 MET 17 1HE MET 17 11.362 -7.465 16.194 103 HE3 MET 17 2HE MET 17 12.945 -6.808 16.603 104 H LEU 18 H LEU 18 9.505 -10.173 15.217 105 HA LEU 18 HA LEU 18 7.093 -11.670 16.053 106 HB2 LEU 18 2HB LEU 18 8.734 -11.943 13.526 107 HB3 LEU 18 1HB LEU 18 7.547 -13.128 14.034 108 HG LEU 18 HG LEU 18 5.839 -11.217 13.983 109 HD11 LEU 18 1HD1 LEU 18 8.052 -9.907 12.411 110 HD12 LEU 18 2HD1 LEU 18 7.358 -9.337 13.929 111 HD13 LEU 18 3HD1 LEU 18 6.376 -9.359 12.464 112 HD21 LEU 18 3HD2 LEU 18 7.115 -12.138 11.407 113 HD22 LEU 18 1HD2 LEU 18 5.502 -11.444 11.566 114 HD23 LEU 18 2HD2 LEU 18 5.872 -12.991 12.325 115 H GLY 19 H GLY 19 7.685 -12.846 17.779 116 HA2 GLY 19 2HA GLY 19 8.830 -14.337 19.107 117 HA3 GLY 19 1HA GLY 19 9.583 -14.946 17.641 118 H GLY 20 H GLY 20 9.863 -11.602 18.642 119 HA2 GLY 20 2HA GLY 20 11.646 -10.483 19.686 120 HA3 GLY 20 1HA GLY 20 12.536 -11.993 19.751 121 H ARG 21 H ARG 21 11.762 -12.189 16.713 122 HA ARG 21 HA ARG 21 14.205 -10.841 15.840 123 HB2 ARG 21 2HB ARG 21 12.451 -12.900 14.493 124 HB3 ARG 21 1HB ARG 21 13.863 -12.173 13.737 125 HG2 ARG 21 2HG ARG 21 15.244 -13.061 15.626 126 HG3 ARG 21 1HG ARG 21 13.811 -13.917 16.199 127 HD2 ARG 21 2HD ARG 21 15.325 -15.334 14.830 128 HD3 ARG 21 1HD ARG 21 13.697 -15.202 14.163 129 HE ARG 21 HE ARG 21 15.018 -13.252 12.864 130 HH11 ARG 21 1HH1 ARG 21 15.808 -16.566 13.381 131 HH12 ARG 21 2HH1 ARG 21 16.660 -16.704 11.884 132 HH21 ARG 21 1HH2 ARG 21 16.067 -13.443 10.956 133 HH22 ARG 21 2HH2 ARG 21 16.782 -14.954 10.503 134 HA PRO 22 HA PRO 22 11.915 -7.585 13.833 135 HB2 PRO 22 2HB PRO 22 13.928 -6.409 12.497 136 HB3 PRO 22 1HB PRO 22 13.836 -6.357 14.261 137 HG2 PRO 22 2HG PRO 22 15.469 -8.164 12.508 138 HG3 PRO 22 1HG PRO 22 15.963 -7.285 13.966 139 HD2 PRO 22 2HD PRO 22 15.279 -9.930 13.973 140 HD3 PRO 22 1HD PRO 22 15.059 -8.865 15.376 141 H ARG 23 H ARG 23 10.524 -8.617 12.372 142 HA ARG 23 HA ARG 23 11.602 -9.084 9.665 143 HB2 ARG 23 2HB ARG 23 8.934 -9.917 10.842 144 HB3 ARG 23 1HB ARG 23 9.464 -10.244 9.197 145 HG2 ARG 23 2HG ARG 23 11.398 -11.518 10.169 146 HG3 ARG 23 1HG ARG 23 10.634 -11.337 11.749 147 HD2 ARG 23 2HD ARG 23 8.623 -12.479 10.876 148 HD3 ARG 23 1HD ARG 23 9.443 -12.706 9.331 149 HE ARG 23 HE ARG 23 10.337 -13.920 11.868 150 HH11 ARG 23 1HH1 ARG 23 9.953 -14.033 8.444 151 HH12 ARG 23 2HH1 ARG 23 10.601 -15.631 8.318 152 HH21 ARG 23 1HH2 ARG 23 11.174 -15.974 11.679 153 HH22 ARG 23 2HH2 ARG 23 11.272 -16.710 10.116 154 H CYS 24 H CYS 24 10.845 -7.925 7.914 155 HA CYS 24 HA CYS 24 9.352 -5.478 8.614 156 HB2 CYS 24 2HB CYS 24 11.445 -6.060 6.545 157 HB3 CYS 24 1HB CYS 24 10.327 -4.723 6.303 158 H GLU 25 H GLU 25 7.644 -4.756 7.444 159 HA GLU 25 HA GLU 25 6.598 -6.502 5.315 160 HB2 GLU 25 2HB GLU 25 5.046 -5.321 7.635 161 HB3 GLU 25 1HB GLU 25 4.283 -6.012 6.208 162 HG2 GLU 25 2HG GLU 25 5.334 -8.175 6.696 163 HG3 GLU 25 1HG GLU 25 6.088 -7.482 8.130 164 H CYS 26 H CYS 26 5.067 -5.433 3.871 165 HA CYS 26 HA CYS 26 6.137 -3.027 2.870 166 HB2 CYS 26 2HB CYS 26 4.028 -3.116 1.386 167 HB3 CYS 26 1HB CYS 26 5.171 -4.451 1.284 168 H ALA 27 H ALA 27 6.042 -1.256 4.131 169 HA ALA 27 HA ALA 27 3.488 -0.437 5.324 170 HB1 ALA 27 3HB ALA 27 5.414 -0.483 6.812 171 HB2 ALA 27 1HB ALA 27 4.824 1.168 6.612 172 HB3 ALA 27 2HB ALA 27 6.277 0.639 5.761 173 HA PRO 28 HA PRO 28 3.119 2.597 2.008 174 HB2 PRO 28 2HB PRO 28 0.649 3.485 3.256 175 HB3 PRO 28 1HB PRO 28 0.864 2.563 1.766 176 HG2 PRO 28 2HG PRO 28 -0.246 1.522 4.042 177 HG3 PRO 28 1HG PRO 28 0.595 0.549 2.821 178 HD2 PRO 28 2HD PRO 28 1.607 1.580 5.454 179 HD3 PRO 28 1HD PRO 28 1.847 -0.013 4.698 180 H ASP 29 H ASP 29 4.558 4.258 2.289 181 HA ASP 29 HA ASP 29 4.610 6.060 4.464 182 HB2 ASP 29 2HB ASP 29 5.497 6.578 1.611 183 HB3 ASP 29 1HB ASP 29 5.991 7.487 3.038 184 H CYS 30 H CYS 30 2.569 6.899 4.950 185 HA CYS 30 HA CYS 30 1.412 8.670 2.900 186 HB2 CYS 30 2HB CYS 30 -0.867 8.020 3.680 187 HB3 CYS 30 1HB CYS 30 0.025 6.736 2.876 188 H SER 31 H SER 31 3.034 9.106 5.474 189 HA SER 31 HA SER 31 1.321 10.719 7.116 190 HB2 SER 31 2HB SER 31 3.403 11.645 8.057 191 HB3 SER 31 1HB SER 31 3.490 9.886 7.957 192 HG SER 31 HG SER 31 5.153 10.098 6.705 193 H GLY 32 H GLY 32 2.987 11.170 4.125 194 HA2 GLY 32 2HA GLY 32 2.227 14.024 4.068 195 HA3 GLY 32 1HA GLY 32 3.427 13.272 3.029 196 H LEU 33 H LEU 33 0.335 11.749 3.635 197 HA LEU 33 HA LEU 33 -0.539 12.462 0.900 198 HB2 LEU 33 2HB LEU 33 -0.845 9.785 2.277 199 HB3 LEU 33 1HB LEU 33 -1.531 10.199 0.717 200 HG LEU 33 HG LEU 33 1.410 9.959 1.379 201 HD11 LEU 33 1HD1 LEU 33 0.282 7.813 1.157 202 HD12 LEU 33 2HD1 LEU 33 1.355 8.096 -0.214 203 HD13 LEU 33 3HD1 LEU 33 -0.387 8.305 -0.399 204 HD21 LEU 33 3HD2 LEU 33 1.053 11.778 -0.204 205 HD22 LEU 33 1HD2 LEU 33 0.084 10.715 -1.226 206 HD23 LEU 33 2HD2 LEU 33 1.805 10.396 -0.999 207 HA PRO 34 HA PRO 34 -4.414 13.659 2.760 208 HB2 PRO 34 2HB PRO 34 -5.755 12.979 0.230 209 HB3 PRO 34 1HB PRO 34 -5.532 14.558 0.991 210 HG2 PRO 34 2HG PRO 34 -4.217 13.861 -1.259 211 HG3 PRO 34 1HG PRO 34 -3.491 14.913 -0.027 212 HD2 PRO 34 2HD PRO 34 -3.061 11.977 -0.505 213 HD3 PRO 34 1HD PRO 34 -1.866 13.246 -0.153 214 H ALA 35 H ALA 35 -5.494 12.419 4.171 215 HA ALA 35 HA ALA 35 -6.195 9.656 3.480 216 HB1 ALA 35 3HB ALA 35 -4.998 10.057 5.583 217 HB2 ALA 35 1HB ALA 35 -6.585 9.342 5.865 218 HB3 ALA 35 2HB ALA 35 -6.329 11.064 6.150 219 H ARG 36 H ARG 36 -7.692 12.648 3.383 220 HA ARG 36 HA ARG 36 -10.355 11.654 4.090 221 HB2 ARG 36 2HB ARG 36 -9.489 14.409 3.176 222 HB3 ARG 36 1HB ARG 36 -11.095 13.974 3.747 223 HG2 ARG 36 2HG ARG 36 -10.071 13.359 5.943 224 HG3 ARG 36 1HG ARG 36 -8.540 14.003 5.347 225 HD2 ARG 36 2HD ARG 36 -11.122 15.545 5.632 226 HD3 ARG 36 1HD ARG 36 -9.741 15.640 6.722 227 HE ARG 36 HE ARG 36 -8.670 16.300 4.332 228 HH11 ARG 36 1HH1 ARG 36 -11.474 17.421 5.993 229 HH12 ARG 36 2HH1 ARG 36 -11.314 19.034 5.392 230 HH21 ARG 36 1HH2 ARG 36 -8.485 18.389 3.570 231 HH22 ARG 36 2HH2 ARG 36 -9.653 19.576 4.042 232 H LEU 37 H LEU 37 -8.516 11.352 1.424 233 HA LEU 37 HA LEU 37 -10.767 11.765 -0.452 234 HB2 LEU 37 2HB LEU 37 -7.800 11.958 -0.998 235 HB3 LEU 37 1HB LEU 37 -9.056 12.080 -2.218 236 HG LEU 37 HG LEU 37 -8.655 14.008 0.082 237 HD11 LEU 37 1HD1 LEU 37 -7.932 15.587 -1.642 238 HD12 LEU 37 2HD1 LEU 37 -8.082 14.327 -2.868 239 HD13 LEU 37 3HD1 LEU 37 -6.879 14.172 -1.587 240 HD21 LEU 37 3HD2 LEU 37 -10.341 15.378 -1.042 241 HD22 LEU 37 1HD2 LEU 37 -11.006 13.817 -0.563 242 HD23 LEU 37 2HD2 LEU 37 -10.578 14.114 -2.249 243 H GLN 38 H GLN 38 -11.640 9.838 -0.958 244 HA GLN 38 HA GLN 38 -10.249 7.368 -1.040 245 HB2 GLN 38 2HB GLN 38 -12.848 8.188 -2.371 246 HB3 GLN 38 1HB GLN 38 -12.247 6.537 -2.297 247 HG2 GLN 38 2HG GLN 38 -12.351 6.654 0.174 248 HG3 GLN 38 1HG GLN 38 -13.054 8.264 0.040 249 HE21 GLN 38 1HE2 GLN 38 -15.176 8.473 -0.702 250 HE22 GLN 38 2HE2 GLN 38 -16.256 7.126 -0.767 251 H VAL 39 H VAL 39 -9.490 6.167 -2.850 252 HA VAL 39 HA VAL 39 -9.108 7.738 -5.325 253 HB VAL 39 HB VAL 39 -6.825 6.899 -5.554 254 HG11 VAL 39 1HG1 VAL 39 -5.748 8.192 -3.768 255 HG12 VAL 39 2HG1 VAL 39 -7.275 8.247 -2.886 256 HG13 VAL 39 3HG1 VAL 39 -7.130 9.050 -4.451 257 HG21 VAL 39 3HG2 VAL 39 -7.231 5.648 -2.830 258 HG22 VAL 39 1HG2 VAL 39 -5.708 5.717 -3.716 259 HG23 VAL 39 2HG2 VAL 39 -7.059 4.784 -4.358 260 H CYS 40 H CYS 40 -8.985 6.570 -7.255 261 HA CYS 40 HA CYS 40 -9.974 3.804 -7.101 262 HB2 CYS 40 2HB CYS 40 -9.863 5.667 -9.487 263 HB3 CYS 40 1HB CYS 40 -10.623 4.078 -9.447 264 H GLY 41 H GLY 41 -8.733 2.124 -7.636 265 HA2 GLY 41 2HA GLY 41 -5.951 2.500 -8.197 266 HA3 GLY 41 1HA GLY 41 -6.796 0.964 -8.089 267 H SER 42 H SER 42 -4.811 1.368 -9.958 268 HA SER 42 HA SER 42 -5.594 2.283 -12.483 269 HB2 SER 42 2HB SER 42 -3.250 1.739 -11.842 270 HB3 SER 42 1HB SER 42 -3.654 0.026 -11.898 271 HG SER 42 HG SER 42 -3.960 0.161 -14.084 272 H ASP 43 H ASP 43 -6.610 -0.543 -10.822 273 HA ASP 43 HA ASP 43 -7.383 -2.027 -13.182 274 HB2 ASP 43 2HB ASP 43 -8.277 -3.657 -11.641 275 HB3 ASP 43 1HB ASP 43 -6.711 -3.125 -11.036 276 H GLY 44 H GLY 44 -8.954 0.034 -10.770 277 HA2 GLY 44 2HA GLY 44 -10.793 1.406 -11.892 278 HA3 GLY 44 1HA GLY 44 -11.489 -0.154 -12.294 279 H ALA 45 H ALA 45 -10.166 -0.612 -9.316 280 HA ALA 45 HA ALA 45 -12.777 -0.457 -8.048 281 HB1 ALA 45 3HB ALA 45 -11.387 -2.437 -7.754 282 HB2 ALA 45 1HB ALA 45 -11.729 -1.664 -6.206 283 HB3 ALA 45 2HB ALA 45 -10.149 -1.464 -6.964 284 H THR 46 H THR 46 -13.377 0.806 -6.315 285 HA THR 46 HA THR 46 -11.757 3.178 -5.781 286 HB THR 46 HB THR 46 -14.511 2.488 -4.715 287 HG1 THR 46 HG1 THR 46 -13.653 3.641 -7.131 288 HG21 THR 46 3HG2 THR 46 -13.327 4.193 -3.395 289 HG22 THR 46 1HG2 THR 46 -14.696 4.885 -4.263 290 HG23 THR 46 2HG2 THR 46 -13.056 5.140 -4.859 291 H TYR 47 H TYR 47 -10.267 3.061 -4.197 292 HA TYR 47 HA TYR 47 -10.721 1.323 -1.877 293 HB2 TYR 47 2HB TYR 47 -8.250 2.700 -2.939 294 HB3 TYR 47 1HB TYR 47 -8.286 1.878 -1.383 295 HD1 TYR 47 HD2 TYR 47 -8.670 1.358 -5.039 296 HD2 TYR 47 HD1 TYR 47 -8.081 -0.484 -1.246 297 HE1 TYR 47 HE2 TYR 47 -8.185 -0.780 -6.156 298 HE2 TYR 47 HE1 TYR 47 -7.597 -2.625 -2.350 299 HH TYR 47 HH TYR 47 -7.206 -2.859 -5.810 300 H ARG 48 H ARG 48 -9.881 2.185 0.257 301 HA ARG 48 HA ARG 48 -11.490 4.308 1.086 302 HB2 ARG 48 2HB ARG 48 -9.206 2.845 2.380 303 HB3 ARG 48 1HB ARG 48 -9.924 4.234 3.180 304 HG2 ARG 48 2HG ARG 48 -10.962 2.296 4.066 305 HG3 ARG 48 1HG ARG 48 -12.141 3.094 3.029 306 HD2 ARG 48 2HD ARG 48 -12.327 0.786 2.565 307 HD3 ARG 48 1HD ARG 48 -11.442 1.476 1.205 308 HE ARG 48 HE ARG 48 -9.472 0.629 2.870 309 HH11 ARG 48 1HH1 ARG 48 -12.213 -0.885 1.424 310 HH12 ARG 48 2HH1 ARG 48 -11.536 -2.473 1.540 311 HH21 ARG 48 1HH2 ARG 48 -8.589 -1.409 2.959 312 HH22 ARG 48 2HH2 ARG 48 -9.504 -2.763 2.377 313 H ASP 49 H ASP 49 -7.983 4.330 0.402 314 HA ASP 49 HA ASP 49 -8.017 7.065 -0.369 315 HB2 ASP 49 2HB ASP 49 -6.457 7.884 1.454 316 HB3 ASP 49 1HB ASP 49 -8.124 7.614 1.947 317 H GLU 50 H GLU 50 -5.508 7.890 -0.328 318 HA GLU 50 HA GLU 50 -4.252 6.231 -2.246 319 HB2 GLU 50 2HB GLU 50 -4.011 8.727 -2.095 320 HB3 GLU 50 1HB GLU 50 -2.959 8.493 -0.704 321 HG2 GLU 50 2HG GLU 50 -1.396 7.224 -2.096 322 HG3 GLU 50 1HG GLU 50 -2.448 7.455 -3.491 323 H CYS 51 H CYS 51 -3.655 6.684 1.219 324 HA CYS 51 HA CYS 51 -1.313 5.123 1.444 325 HB2 CYS 51 2HB CYS 51 -2.349 6.568 3.263 326 HB3 CYS 51 1HB CYS 51 -3.510 5.275 3.530 327 H GLU 52 H GLU 52 -4.737 4.228 1.750 328 HA GLU 52 HA GLU 52 -4.498 1.464 2.064 329 HB2 GLU 52 2HB GLU 52 -6.612 2.643 2.325 330 HB3 GLU 52 1HB GLU 52 -6.614 3.087 0.627 331 HG2 GLU 52 2HG GLU 52 -8.173 1.317 0.930 332 HG3 GLU 52 1HG GLU 52 -6.789 0.671 0.053 333 H LEU 53 H LEU 53 -4.640 3.372 -0.945 334 HA LEU 53 HA LEU 53 -4.601 1.249 -2.775 335 HB2 LEU 53 2HB LEU 53 -4.958 3.786 -3.148 336 HB3 LEU 53 1HB LEU 53 -3.215 3.882 -3.271 337 HG LEU 53 HG LEU 53 -4.356 3.811 -5.466 338 HD11 LEU 53 1HD1 LEU 53 -2.931 2.148 -6.520 339 HD12 LEU 53 2HD1 LEU 53 -2.618 1.400 -4.954 340 HD13 LEU 53 3HD1 LEU 53 -2.046 3.036 -5.280 341 HD21 LEU 53 3HD2 LEU 53 -5.173 1.026 -4.639 342 HD22 LEU 53 1HD2 LEU 53 -5.362 1.721 -6.251 343 HD23 LEU 53 2HD2 LEU 53 -6.245 2.405 -4.888 344 H ARG 54 H ARG 54 -1.846 3.128 -1.462 345 HA ARG 54 HA ARG 54 0.211 1.738 -2.740 346 HB2 ARG 54 2HB ARG 54 0.161 3.093 -0.041 347 HB3 ARG 54 1HB ARG 54 1.630 2.461 -0.773 348 HG2 ARG 54 2HG ARG 54 1.280 3.984 -2.699 349 HG3 ARG 54 1HG ARG 54 -0.128 4.655 -1.871 350 HD2 ARG 54 2HD ARG 54 1.908 6.032 -1.584 351 HD3 ARG 54 1HD ARG 54 1.255 5.444 -0.055 352 HE ARG 54 HE ARG 54 3.079 3.580 -0.568 353 HH11 ARG 54 1HH1 ARG 54 3.329 7.004 -0.850 354 HH12 ARG 54 2HH1 ARG 54 5.005 7.017 -0.420 355 HH21 ARG 54 1HH2 ARG 54 5.224 3.616 -0.019 356 HH22 ARG 54 2HH2 ARG 54 6.064 5.127 0.042 357 H ALA 55 H ALA 55 -1.385 1.033 0.366 358 HA ALA 55 HA ALA 55 0.069 -1.301 1.004 359 HB1 ALA 55 3HB ALA 55 -1.811 -1.850 2.475 360 HB2 ALA 55 1HB ALA 55 -2.797 -0.617 1.686 361 HB3 ALA 55 2HB ALA 55 -1.374 -0.146 2.617 362 H ALA 56 H ALA 56 -2.804 -0.758 -0.976 363 HA ALA 56 HA ALA 56 -3.491 -3.461 -1.432 364 HB1 ALA 56 3HB ALA 56 -4.926 -2.605 -3.201 365 HB2 ALA 56 1HB ALA 56 -4.112 -1.041 -3.119 366 HB3 ALA 56 2HB ALA 56 -5.057 -1.618 -1.746 367 H ARG 57 H ARG 57 -1.082 -1.423 -2.916 368 HA ARG 57 HA ARG 57 -0.628 -2.939 -5.271 369 HB2 ARG 57 2HB ARG 57 0.342 -0.664 -4.796 370 HB3 ARG 57 1HB ARG 57 1.444 -1.426 -3.654 371 HG2 ARG 57 2HG ARG 57 2.269 -2.852 -5.553 372 HG3 ARG 57 1HG ARG 57 1.318 -1.840 -6.637 373 HD2 ARG 57 2HD ARG 57 3.527 -0.988 -6.684 374 HD3 ARG 57 1HD ARG 57 2.581 0.141 -5.714 375 HE ARG 57 HE ARG 57 3.662 -1.597 -3.901 376 HH11 ARG 57 1HH1 ARG 57 4.911 0.501 -6.326 377 HH12 ARG 57 2HH1 ARG 57 6.426 0.707 -5.522 378 HH21 ARG 57 1HH2 ARG 57 5.607 -1.312 -2.870 379 HH22 ARG 57 2HH2 ARG 57 6.810 -0.295 -3.584 380 H CYS 58 H CYS 58 0.875 -3.083 -2.046 381 HA CYS 58 HA CYS 58 2.352 -5.488 -2.540 382 HB2 CYS 58 2HB CYS 58 3.121 -4.050 -0.785 383 HB3 CYS 58 1HB CYS 58 1.544 -4.051 -0.007 384 H ARG 59 H ARG 59 -0.833 -4.726 -1.416 385 HA ARG 59 HA ARG 59 -1.489 -7.387 -0.503 386 HB2 ARG 59 2HB ARG 59 -2.488 -5.632 0.716 387 HB3 ARG 59 1HB ARG 59 -2.949 -4.767 -0.734 388 HG2 ARG 59 2HG ARG 59 -4.671 -6.484 -1.182 389 HG3 ARG 59 1HG ARG 59 -4.231 -7.283 0.332 390 HD2 ARG 59 2HD ARG 59 -5.044 -5.541 1.640 391 HD3 ARG 59 1HD ARG 59 -4.923 -4.367 0.333 392 HE ARG 59 HE ARG 59 -6.899 -6.486 0.040 393 HH11 ARG 59 1HH1 ARG 59 -6.236 -3.199 0.898 394 HH12 ARG 59 2HH1 ARG 59 -7.864 -2.700 0.652 395 HH21 ARG 59 1HH2 ARG 59 -8.989 -5.815 -0.261 396 HH22 ARG 59 2HH2 ARG 59 -9.406 -4.158 0.003 397 H GLY 60 H GLY 60 -1.047 -8.546 -2.492 398 HA2 GLY 60 2HA GLY 60 -2.171 -9.957 -3.981 399 HA3 GLY 60 1HA GLY 60 -3.508 -8.825 -4.034 400 H HIS 61 H HIS 61 -2.335 -6.496 -4.940 401 HA HIS 61 HA HIS 61 -1.633 -7.374 -7.681 402 HB2 HIS 61 2HB HIS 61 -3.340 -5.033 -6.820 403 HB3 HIS 61 1HB HIS 61 -2.894 -5.393 -8.485 404 HD1 HIS 61 HD1 HIS 61 -4.056 -7.416 -9.609 405 HD2 HIS 61 HD2 HIS 61 -5.341 -6.656 -5.732 406 HE1 HIS 61 HE1 HIS 61 -6.132 -8.794 -9.309 407 HE2 HIS 61 HE2 HIS 61 -6.851 -8.381 -6.929 408 HA PRO 62 HA PRO 62 2.020 -4.720 -6.603 409 HB2 PRO 62 2HB PRO 62 3.116 -6.307 -8.871 410 HB3 PRO 62 1HB PRO 62 3.817 -5.981 -7.280 411 HG2 PRO 62 2HG PRO 62 2.830 -8.390 -7.852 412 HG3 PRO 62 1HG PRO 62 2.585 -7.670 -6.248 413 HD2 PRO 62 2HD PRO 62 0.673 -7.842 -8.558 414 HD3 PRO 62 1HD PRO 62 0.376 -8.126 -6.829 415 H ASP 63 H ASP 63 0.288 -5.339 -9.557 416 HA ASP 63 HA ASP 63 1.563 -3.264 -11.108 417 HB2 ASP 63 2HB ASP 63 -1.015 -4.763 -11.657 418 HB3 ASP 63 1HB ASP 63 -0.066 -3.846 -12.824 419 H LEU 64 H LEU 64 -0.523 -3.055 -8.568 420 HA LEU 64 HA LEU 64 -2.534 -1.336 -9.688 421 HB2 LEU 64 2HB LEU 64 -2.896 -2.920 -7.785 422 HB3 LEU 64 1HB LEU 64 -1.944 -1.847 -6.776 423 HG LEU 64 HG LEU 64 -3.601 -0.050 -7.121 424 HD11 LEU 64 1HD1 LEU 64 -5.748 -0.557 -8.190 425 HD12 LEU 64 2HD1 LEU 64 -5.135 -2.142 -8.664 426 HD13 LEU 64 3HD1 LEU 64 -4.405 -0.680 -9.328 427 HD21 LEU 64 3HD2 LEU 64 -4.824 -2.641 -6.162 428 HD22 LEU 64 1HD2 LEU 64 -5.390 -1.015 -5.774 429 HD23 LEU 64 2HD2 LEU 64 -3.813 -1.559 -5.201 430 H SER 65 H SER 65 -2.223 0.721 -10.166 431 HA SER 65 HA SER 65 -0.717 2.446 -8.297 432 HB2 SER 65 2HB SER 65 -0.831 2.647 -11.323 433 HB3 SER 65 1HB SER 65 -0.155 3.894 -10.273 434 HG SER 65 HG SER 65 0.862 1.394 -10.967 435 H VAL 66 H VAL 66 -1.424 4.789 -8.437 436 HA VAL 66 HA VAL 66 -4.302 4.869 -8.157 437 HB VAL 66 HB VAL 66 -2.319 7.147 -7.903 438 HG11 VAL 66 1HG1 VAL 66 -5.150 6.878 -6.863 439 HG12 VAL 66 2HG1 VAL 66 -4.633 7.900 -8.202 440 HG13 VAL 66 3HG1 VAL 66 -4.065 8.239 -6.567 441 HG21 VAL 66 3HG2 VAL 66 -1.758 5.334 -6.367 442 HG22 VAL 66 1HG2 VAL 66 -3.416 5.316 -5.763 443 HG23 VAL 66 2HG2 VAL 66 -2.393 6.725 -5.490 444 H MET 67 H MET 67 -5.740 5.482 -9.696 445 HA MET 67 HA MET 67 -4.950 6.687 -12.185 446 HB2 MET 67 2HB MET 67 -7.669 6.289 -10.912 447 HB3 MET 67 1HB MET 67 -7.449 7.014 -12.497 448 HG2 MET 67 2HG MET 67 -6.406 4.928 -13.279 449 HG3 MET 67 1HG MET 67 -6.704 4.206 -11.695 450 HE1 MET 67 3HE MET 67 -9.338 2.507 -14.146 451 HE2 MET 67 1HE MET 67 -7.979 2.207 -13.064 452 HE3 MET 67 2HE MET 67 -7.723 3.061 -14.585 453 H TYR 68 H TYR 68 -6.989 7.858 -9.511 454 HA TYR 68 HA TYR 68 -5.746 10.429 -9.447 455 HB2 TYR 68 2HB TYR 68 -7.834 11.717 -10.006 456 HB3 TYR 68 1HB TYR 68 -7.101 10.899 -11.378 457 HD1 TYR 68 HD1 TYR 68 -9.890 10.635 -8.910 458 HD2 TYR 68 HD2 TYR 68 -8.346 9.369 -12.679 459 HE1 TYR 68 HE1 TYR 68 -12.038 9.558 -9.427 460 HE2 TYR 68 HE2 TYR 68 -10.495 8.295 -13.194 461 HH TYR 68 HH TYR 68 -12.441 7.446 -12.100 462 H ARG 69 H ARG 69 -6.663 11.816 -7.751 463 HA ARG 69 HA ARG 69 -7.748 10.286 -5.546 464 HB2 ARG 69 2HB ARG 69 -7.007 13.212 -5.782 465 HB3 ARG 69 1HB ARG 69 -7.579 12.455 -4.299 466 HG2 ARG 69 2HG ARG 69 -5.648 10.934 -4.343 467 HG3 ARG 69 1HG ARG 69 -5.069 11.727 -5.809 468 HD2 ARG 69 2HD ARG 69 -4.871 13.840 -4.587 469 HD3 ARG 69 1HD ARG 69 -5.462 13.052 -3.123 470 HE ARG 69 HE ARG 69 -3.395 11.552 -3.492 471 HH11 ARG 69 1HH1 ARG 69 -3.536 14.921 -4.200 472 HH12 ARG 69 2HH1 ARG 69 -1.848 15.154 -3.929 473 HH21 ARG 69 1HH2 ARG 69 -1.246 11.865 -3.137 474 HH22 ARG 69 2HH2 ARG 69 -0.564 13.448 -3.331 475 H GLY 70 H GLY 70 -9.827 9.821 -5.537 476 HA2 GLY 70 2HA GLY 70 -11.970 11.405 -5.198 477 HA3 GLY 70 1HA GLY 70 -11.767 11.457 -6.946 478 H ARG 71 H ARG 71 -13.900 10.272 -5.184 479 HA ARG 71 HA ARG 71 -13.705 7.429 -5.365 480 HB2 ARG 71 2HB ARG 71 -15.044 8.536 -3.643 481 HB3 ARG 71 1HB ARG 71 -16.094 9.219 -4.873 482 HG2 ARG 71 2HG ARG 71 -16.808 6.939 -5.496 483 HG3 ARG 71 1HG ARG 71 -15.797 6.292 -4.200 484 HD2 ARG 71 2HD ARG 71 -17.103 7.434 -2.534 485 HD3 ARG 71 1HD ARG 71 -18.020 8.292 -3.772 486 HE ARG 71 HE ARG 71 -18.221 5.415 -3.904 487 HH11 ARG 71 1HH1 ARG 71 -19.519 8.317 -2.591 488 HH12 ARG 71 2HH1 ARG 71 -21.080 7.633 -2.308 489 HH21 ARG 71 1HH2 ARG 71 -20.241 4.527 -3.529 490 HH22 ARG 71 2HH2 ARG 71 -21.487 5.513 -2.844 491 H CYS 72 H CYS 72 -13.102 7.395 -7.668 492 HA CYS 72 HA CYS 72 -13.493 7.226 -9.923 493 HB2 CYS 72 2HB CYS 72 -15.549 5.420 -8.660 494 HB3 CYS 72 1HB CYS 72 -15.155 5.383 -10.379 495 H ARG 73 H ARG 73 -14.117 9.171 -10.766 496 HA ARG 73 HA ARG 73 -16.896 10.020 -10.632 497 HB2 ARG 73 2HB ARG 73 -14.582 11.301 -12.112 498 HB3 ARG 73 1HB ARG 73 -16.139 12.042 -11.753 499 HG2 ARG 73 2HG ARG 73 -15.644 11.929 -9.357 500 HG3 ARG 73 1HG ARG 73 -14.082 11.192 -9.716 501 HD2 ARG 73 2HD ARG 73 -13.744 13.529 -9.289 502 HD3 ARG 73 1HD ARG 73 -13.480 13.236 -11.005 503 HE ARG 73 HE ARG 73 -15.987 14.020 -11.088 504 HH11 ARG 73 1HH1 ARG 73 -13.396 15.319 -9.227 505 HH12 ARG 73 2HH1 ARG 73 -14.083 16.903 -9.188 506 HH21 ARG 73 1HH2 ARG 73 -16.842 16.036 -11.052 507 HH22 ARG 73 2HH2 ARG 73 -16.003 17.318 -10.240 508 H LYS 74 H LYS 74 -18.278 8.973 -11.933 509 HA LYS 74 HA LYS 74 -17.588 8.657 -14.778 510 HB2 LYS 74 2HB LYS 74 -18.787 6.414 -14.695 511 HB3 LYS 74 1HB LYS 74 -17.208 6.485 -13.926 512 HG2 LYS 74 2HG LYS 74 -18.261 6.651 -11.728 513 HG3 LYS 74 1HG LYS 74 -19.856 6.632 -12.480 514 HD2 LYS 74 2HD LYS 74 -17.818 4.404 -12.631 515 HD3 LYS 74 1HD LYS 74 -19.226 4.430 -11.567 516 HE2 LYS 74 2HE LYS 74 -20.691 4.528 -13.554 517 HE3 LYS 74 1HE LYS 74 -19.265 4.439 -14.590 518 HZ1 LYS 74 3HZ LYS 74 -20.151 2.370 -12.655 519 HZ2 LYS 74 1HZ LYS 74 -18.753 2.281 -13.600 520 HZ3 LYS 74 2HZ LYS 74 -20.271 2.274 -14.339 Start of MODEL 7 1 H1 SER 1 1H SER 1 4.176 -4.070 20.751 2 H2 SER 1 2H SER 1 4.076 -3.163 22.177 3 H3 SER 1 3H SER 1 5.304 -4.310 21.992 4 HA SER 1 HA SER 1 4.983 -1.862 20.348 5 HB2 SER 1 2HB SER 1 6.975 -2.470 22.559 6 HB3 SER 1 1HB SER 1 6.971 -1.021 21.553 7 HG SER 1 HG SER 1 5.897 -0.459 23.381 8 H ASP 2 H ASP 2 5.984 -2.018 18.422 9 HA ASP 2 HA ASP 2 7.509 -4.360 17.773 10 HB2 ASP 2 2HB ASP 2 6.965 -1.863 16.143 11 HB3 ASP 2 1HB ASP 2 7.713 -3.331 15.518 12 H SER 3 H SER 3 9.346 -4.306 19.087 13 HA SER 3 HA SER 3 11.363 -2.256 18.422 14 HB2 SER 3 2HB SER 3 12.619 -3.062 20.365 15 HB3 SER 3 1HB SER 3 10.967 -2.678 20.845 16 HG SER 3 HG SER 3 12.184 -5.203 20.504 17 H CYS 4 H CYS 4 12.968 -2.772 17.023 18 HA CYS 4 HA CYS 4 13.001 -5.550 16.050 19 HB2 CYS 4 2HB CYS 4 14.175 -3.067 14.773 20 HB3 CYS 4 1HB CYS 4 13.958 -4.646 14.014 21 H ASP 5 H ASP 5 14.669 -6.874 16.405 22 HA ASP 5 HA ASP 5 16.952 -5.903 17.906 23 HB2 ASP 5 2HB ASP 5 15.668 -8.046 18.399 24 HB3 ASP 5 1HB ASP 5 16.422 -8.727 16.962 25 H GLY 6 H GLY 6 18.633 -5.039 16.812 26 HA2 GLY 6 2HA GLY 6 20.387 -4.849 15.339 27 HA3 GLY 6 1HA GLY 6 20.100 -6.512 14.870 28 H VAL 7 H VAL 7 17.246 -5.640 14.105 29 HA VAL 7 HA VAL 7 17.815 -5.279 11.334 30 HB VAL 7 HB VAL 7 15.119 -5.112 12.705 31 HG11 VAL 7 1HG1 VAL 7 15.096 -4.309 10.410 32 HG12 VAL 7 2HG1 VAL 7 14.247 -5.848 10.527 33 HG13 VAL 7 3HG1 VAL 7 15.877 -5.791 9.859 34 HG21 VAL 7 3HG2 VAL 7 16.564 -7.553 11.658 35 HG22 VAL 7 1HG2 VAL 7 14.896 -7.515 12.230 36 HG23 VAL 7 2HG2 VAL 7 16.217 -7.186 13.349 37 H GLU 8 H GLU 8 18.035 -3.417 10.247 38 HA GLU 8 HA GLU 8 16.910 -0.940 11.396 39 HB2 GLU 8 2HB GLU 8 18.708 0.231 10.061 40 HB3 GLU 8 1HB GLU 8 19.278 -0.751 11.405 41 HG2 GLU 8 2HG GLU 8 19.828 -2.558 9.824 42 HG3 GLU 8 1HG GLU 8 19.310 -1.524 8.492 43 H CYS 9 H CYS 9 15.081 -0.421 10.374 44 HA CYS 9 HA CYS 9 15.138 -0.030 7.486 45 HB2 CYS 9 2HB CYS 9 13.105 -1.822 8.836 46 HB3 CYS 9 1HB CYS 9 12.905 -1.173 7.211 47 H GLY 10 H GLY 10 13.869 1.674 6.810 48 HA2 GLY 10 2HA GLY 10 11.930 2.840 8.677 49 HA3 GLY 10 1HA GLY 10 13.319 3.830 8.254 50 HA PRO 11 HA PRO 11 11.126 5.128 4.595 51 HB2 PRO 11 2HB PRO 11 13.102 5.570 2.811 52 HB3 PRO 11 1HB PRO 11 12.884 6.587 4.240 53 HG2 PRO 11 2HG PRO 11 14.809 4.328 3.801 54 HG3 PRO 11 1HG PRO 11 15.100 5.913 4.540 55 HD2 PRO 11 2HD PRO 11 14.690 3.640 5.993 56 HD3 PRO 11 1HD PRO 11 14.244 5.258 6.576 57 H GLY 12 H GLY 12 9.957 4.049 3.082 58 HA2 GLY 12 2HA GLY 12 9.471 2.572 1.355 59 HA3 GLY 12 1HA GLY 12 11.160 2.089 1.323 60 H LYS 13 H LYS 13 11.606 1.083 3.814 61 HA LYS 13 HA LYS 13 9.560 -1.028 4.177 62 HB2 LYS 13 2HB LYS 13 12.562 -1.265 4.518 63 HB3 LYS 13 1HB LYS 13 11.404 -2.512 4.956 64 HG2 LYS 13 2HG LYS 13 10.725 -2.701 2.605 65 HG3 LYS 13 1HG LYS 13 11.918 -1.474 2.174 66 HD2 LYS 13 2HD LYS 13 12.477 -4.178 3.409 67 HD3 LYS 13 1HD LYS 13 12.811 -3.700 1.745 68 HE2 LYS 13 2HE LYS 13 14.455 -2.085 2.492 69 HE3 LYS 13 1HE LYS 13 14.052 -2.403 4.179 70 HZ1 LYS 13 3HZ LYS 13 14.880 -4.647 3.936 71 HZ2 LYS 13 1HZ LYS 13 16.077 -3.543 3.475 72 HZ3 LYS 13 2HZ LYS 13 15.209 -4.387 2.302 73 H ALA 14 H ALA 14 8.771 -1.293 6.191 74 HA ALA 14 HA ALA 14 10.205 -0.049 8.462 75 HB1 ALA 14 3HB ALA 14 7.257 -0.697 8.232 76 HB2 ALA 14 1HB ALA 14 7.970 0.908 8.077 77 HB3 ALA 14 2HB ALA 14 8.052 0.052 9.617 78 H CYS 15 H CYS 15 10.509 -1.317 10.361 79 HA CYS 15 HA CYS 15 10.323 -4.202 9.814 80 HB2 CYS 15 2HB CYS 15 12.027 -4.531 11.523 81 HB3 CYS 15 1HB CYS 15 12.568 -3.343 10.345 82 H ARG 16 H ARG 16 8.664 -5.233 10.606 83 HA ARG 16 HA ARG 16 7.452 -4.361 13.155 84 HB2 ARG 16 2HB ARG 16 6.236 -5.739 10.752 85 HB3 ARG 16 1HB ARG 16 5.398 -5.575 12.291 86 HG2 ARG 16 2HG ARG 16 6.434 -3.229 10.716 87 HG3 ARG 16 1HG ARG 16 4.805 -3.879 10.534 88 HD2 ARG 16 2HD ARG 16 4.373 -3.448 12.911 89 HD3 ARG 16 1HD ARG 16 6.005 -2.807 13.091 90 HE ARG 16 HE ARG 16 5.381 -0.911 11.839 91 HH11 ARG 16 1HH1 ARG 16 2.729 -3.071 12.316 92 HH12 ARG 16 2HH1 ARG 16 1.550 -1.858 11.960 93 HH21 ARG 16 1HH2 ARG 16 3.853 0.626 11.432 94 HH22 ARG 16 2HH2 ARG 16 2.177 0.208 11.482 95 H MET 17 H MET 17 6.836 -5.933 14.675 96 HA MET 17 HA MET 17 8.412 -8.386 14.558 97 HB2 MET 17 2HB MET 17 6.707 -7.255 16.787 98 HB3 MET 17 1HB MET 17 7.711 -8.693 16.908 99 HG2 MET 17 2HG MET 17 9.658 -7.161 16.265 100 HG3 MET 17 1HG MET 17 8.560 -5.832 16.642 101 HE1 MET 17 3HE MET 17 10.451 -8.965 17.980 102 HE2 MET 17 1HE MET 17 8.771 -9.378 18.328 103 HE3 MET 17 2HE MET 17 9.896 -9.056 19.652 104 H LEU 18 H LEU 18 7.493 -9.987 13.411 105 HA LEU 18 HA LEU 18 4.711 -10.736 14.076 106 HB2 LEU 18 2HB LEU 18 6.279 -11.215 11.532 107 HB3 LEU 18 1HB LEU 18 4.766 -12.018 11.889 108 HG LEU 18 HG LEU 18 4.274 -10.238 10.394 109 HD11 LEU 18 1HD1 LEU 18 2.728 -8.863 11.651 110 HD12 LEU 18 2HD1 LEU 18 3.518 -9.316 13.161 111 HD13 LEU 18 3HD1 LEU 18 2.669 -10.535 12.211 112 HD21 LEU 18 3HD2 LEU 18 6.304 -8.923 10.693 113 HD22 LEU 18 1HD2 LEU 18 5.728 -8.369 12.264 114 HD23 LEU 18 2HD2 LEU 18 4.865 -7.912 10.796 115 H GLY 19 H GLY 19 4.937 -12.196 15.698 116 HA2 GLY 19 2HA GLY 19 5.328 -14.239 16.675 117 HA3 GLY 19 1HA GLY 19 5.762 -14.831 15.082 118 H GLY 20 H GLY 20 7.165 -12.650 17.559 119 HA2 GLY 20 2HA GLY 20 9.163 -12.898 18.718 120 HA3 GLY 20 1HA GLY 20 9.470 -14.380 17.833 121 H ARG 21 H ARG 21 9.464 -13.435 15.201 122 HA ARG 21 HA ARG 21 12.044 -12.067 15.208 123 HB2 ARG 21 2HB ARG 21 10.571 -13.672 13.128 124 HB3 ARG 21 1HB ARG 21 11.962 -12.686 12.700 125 HG2 ARG 21 2HG ARG 21 12.742 -14.899 13.017 126 HG3 ARG 21 1HG ARG 21 13.287 -13.957 14.403 127 HD2 ARG 21 2HD ARG 21 11.388 -14.850 15.716 128 HD3 ARG 21 1HD ARG 21 10.927 -15.843 14.330 129 HE ARG 21 HE ARG 21 13.541 -16.122 15.674 130 HH11 ARG 21 1HH1 ARG 21 10.672 -17.503 14.345 131 HH12 ARG 21 2HH1 ARG 21 11.199 -19.125 14.632 132 HH21 ARG 21 1HH2 ARG 21 14.186 -18.217 16.046 133 HH22 ARG 21 2HH2 ARG 21 13.150 -19.525 15.586 134 HA PRO 22 HA PRO 22 10.090 -8.306 13.639 135 HB2 PRO 22 2HB PRO 22 12.273 -6.738 13.732 136 HB3 PRO 22 1HB PRO 22 11.415 -7.219 15.202 137 HG2 PRO 22 2HG PRO 22 13.935 -8.342 14.027 138 HG3 PRO 22 1HG PRO 22 13.556 -7.983 15.722 139 HD2 PRO 22 2HD PRO 22 13.412 -10.495 14.606 140 HD3 PRO 22 1HD PRO 22 12.475 -9.983 16.025 141 H ARG 23 H ARG 23 9.623 -8.487 11.485 142 HA ARG 23 HA ARG 23 11.800 -8.924 9.554 143 HB2 ARG 23 2HB ARG 23 10.117 -9.595 7.983 144 HB3 ARG 23 1HB ARG 23 9.750 -10.393 9.507 145 HG2 ARG 23 2HG ARG 23 7.990 -8.822 9.976 146 HG3 ARG 23 1HG ARG 23 8.426 -7.846 8.577 147 HD2 ARG 23 2HD ARG 23 7.884 -9.842 7.141 148 HD3 ARG 23 1HD ARG 23 7.241 -10.622 8.588 149 HE ARG 23 HE ARG 23 6.026 -8.128 8.374 150 HH11 ARG 23 1HH1 ARG 23 6.113 -11.079 6.585 151 HH12 ARG 23 2HH1 ARG 23 4.536 -10.832 5.924 152 HH21 ARG 23 1HH2 ARG 23 4.039 -7.826 7.511 153 HH22 ARG 23 2HH2 ARG 23 3.376 -9.011 6.432 154 H CYS 24 H CYS 24 11.900 -7.624 7.600 155 HA CYS 24 HA CYS 24 10.783 -4.914 7.946 156 HB2 CYS 24 2HB CYS 24 13.069 -5.924 6.252 157 HB3 CYS 24 1HB CYS 24 12.394 -4.309 6.073 158 H GLU 25 H GLU 25 9.091 -4.330 6.796 159 HA GLU 25 HA GLU 25 8.423 -5.801 4.327 160 HB2 GLU 25 2HB GLU 25 6.010 -5.471 4.986 161 HB3 GLU 25 1HB GLU 25 6.913 -6.576 6.012 162 HG2 GLU 25 2HG GLU 25 7.199 -4.763 7.666 163 HG3 GLU 25 1HG GLU 25 6.220 -3.709 6.650 164 H CYS 26 H CYS 26 7.608 -4.621 2.615 165 HA CYS 26 HA CYS 26 8.367 -1.942 2.359 166 HB2 CYS 26 2HB CYS 26 7.028 -1.923 0.270 167 HB3 CYS 26 1HB CYS 26 8.072 -3.332 0.400 168 H ALA 27 H ALA 27 7.596 -0.380 3.619 169 HA ALA 27 HA ALA 27 4.701 -0.216 4.128 170 HB1 ALA 27 3HB ALA 27 6.137 -0.328 6.119 171 HB2 ALA 27 1HB ALA 27 5.259 1.200 6.028 172 HB3 ALA 27 2HB ALA 27 6.969 1.137 5.597 173 HA PRO 28 HA PRO 28 4.614 3.310 1.404 174 HB2 PRO 28 2HB PRO 28 2.151 4.248 2.001 175 HB3 PRO 28 1HB PRO 28 2.393 2.763 1.078 176 HG2 PRO 28 2HG PRO 28 1.777 3.102 3.996 177 HG3 PRO 28 1HG PRO 28 1.069 1.966 2.831 178 HD2 PRO 28 2HD PRO 28 3.029 1.254 4.581 179 HD3 PRO 28 1HD PRO 28 2.854 0.508 2.978 180 H ASP 29 H ASP 29 5.770 5.102 1.768 181 HA ASP 29 HA ASP 29 6.114 6.292 4.303 182 HB2 ASP 29 2HB ASP 29 6.743 7.550 1.622 183 HB3 ASP 29 1HB ASP 29 7.496 7.912 3.173 184 H CYS 30 H CYS 30 3.875 6.923 1.719 185 HA CYS 30 HA CYS 30 1.993 8.173 1.580 186 HB2 CYS 30 2HB CYS 30 2.563 8.987 4.437 187 HB3 CYS 30 1HB CYS 30 1.094 9.373 3.549 188 H SER 31 H SER 31 4.766 9.875 3.001 189 HA SER 31 HA SER 31 4.066 12.500 2.441 190 HB2 SER 31 2HB SER 31 6.053 11.854 3.754 191 HB3 SER 31 1HB SER 31 6.838 11.281 2.283 192 HG SER 31 HG SER 31 6.231 13.918 3.081 193 H GLY 32 H GLY 32 3.419 13.355 0.565 194 HA2 GLY 32 2HA GLY 32 4.250 14.166 -1.621 195 HA3 GLY 32 1HA GLY 32 4.789 12.524 -1.933 196 H LEU 33 H LEU 33 2.044 11.827 -0.506 197 HA LEU 33 HA LEU 33 0.258 12.407 -2.755 198 HB2 LEU 33 2HB LEU 33 -0.445 9.974 -2.761 199 HB3 LEU 33 1HB LEU 33 1.124 10.332 -3.448 200 HG LEU 33 HG LEU 33 2.132 9.593 -1.232 201 HD11 LEU 33 1HD1 LEU 33 -0.655 8.525 -0.796 202 HD12 LEU 33 2HD1 LEU 33 0.166 9.749 0.170 203 HD13 LEU 33 3HD1 LEU 33 0.768 8.096 0.154 204 HD21 LEU 33 3HD2 LEU 33 2.186 8.209 -3.249 205 HD22 LEU 33 1HD2 LEU 33 0.607 7.540 -2.838 206 HD23 LEU 33 2HD2 LEU 33 1.998 7.224 -1.798 207 HA PRO 34 HA PRO 34 -3.087 12.891 0.127 208 HB2 PRO 34 2HB PRO 34 -4.548 10.667 -1.240 209 HB3 PRO 34 1HB PRO 34 -5.086 12.310 -0.867 210 HG2 PRO 34 2HG PRO 34 -4.396 11.660 -3.352 211 HG3 PRO 34 1HG PRO 34 -3.943 13.236 -2.673 212 HD2 PRO 34 2HD PRO 34 -2.260 10.795 -3.094 213 HD3 PRO 34 1HD PRO 34 -1.836 12.508 -3.296 214 H ALA 35 H ALA 35 -2.873 12.245 2.179 215 HA ALA 35 HA ALA 35 -2.429 9.441 2.841 216 HB1 ALA 35 3HB ALA 35 -2.434 11.864 4.641 217 HB2 ALA 35 1HB ALA 35 -1.012 11.167 3.868 218 HB3 ALA 35 2HB ALA 35 -1.902 10.241 5.076 219 H ARG 36 H ARG 36 -4.961 11.828 3.070 220 HA ARG 36 HA ARG 36 -6.683 9.856 4.437 221 HB2 ARG 36 2HB ARG 36 -6.779 12.866 4.386 222 HB3 ARG 36 1HB ARG 36 -8.169 11.902 4.863 223 HG2 ARG 36 2HG ARG 36 -6.771 10.873 6.648 224 HG3 ARG 36 1HG ARG 36 -5.477 11.997 6.221 225 HD2 ARG 36 2HD ARG 36 -6.897 12.728 8.150 226 HD3 ARG 36 1HD ARG 36 -6.825 13.884 6.819 227 HE ARG 36 HE ARG 36 -9.044 12.341 6.327 228 HH11 ARG 36 1HH1 ARG 36 -8.005 14.345 8.927 229 HH12 ARG 36 2HH1 ARG 36 -9.616 14.802 9.355 230 HH21 ARG 36 1HH2 ARG 36 -11.090 12.945 6.853 231 HH22 ARG 36 2HH2 ARG 36 -11.350 14.043 8.166 232 H LEU 37 H LEU 37 -6.490 12.117 1.731 233 HA LEU 37 HA LEU 37 -9.155 11.826 0.842 234 HB2 LEU 37 2HB LEU 37 -7.338 13.605 0.260 235 HB3 LEU 37 1HB LEU 37 -6.875 12.489 -1.006 236 HG LEU 37 HG LEU 37 -8.363 14.315 -1.795 237 HD11 LEU 37 1HD1 LEU 37 -8.320 12.198 -3.012 238 HD12 LEU 37 2HD1 LEU 37 -9.917 12.940 -3.067 239 HD13 LEU 37 3HD1 LEU 37 -9.617 11.578 -1.989 240 HD21 LEU 37 3HD2 LEU 37 -9.701 14.610 0.221 241 HD22 LEU 37 1HD2 LEU 37 -10.426 13.020 -0.010 242 HD23 LEU 37 2HD2 LEU 37 -10.734 14.306 -1.174 243 H GLN 38 H GLN 38 -10.104 10.108 -0.020 244 HA GLN 38 HA GLN 38 -8.875 7.663 -0.522 245 HB2 GLN 38 2HB GLN 38 -11.507 8.679 -1.620 246 HB3 GLN 38 1HB GLN 38 -11.003 6.995 -1.583 247 HG2 GLN 38 2HG GLN 38 -10.950 7.083 0.873 248 HG3 GLN 38 1HG GLN 38 -11.510 8.756 0.805 249 HE21 GLN 38 1HE2 GLN 38 -12.371 5.426 0.298 250 HE22 GLN 38 2HE2 GLN 38 -14.080 5.673 0.209 251 H VAL 39 H VAL 39 -8.786 6.425 -2.518 252 HA VAL 39 HA VAL 39 -8.755 7.918 -5.043 253 HB VAL 39 HB VAL 39 -6.647 6.870 -5.781 254 HG11 VAL 39 1HG1 VAL 39 -6.324 8.482 -3.247 255 HG12 VAL 39 2HG1 VAL 39 -6.572 9.133 -4.868 256 HG13 VAL 39 3HG1 VAL 39 -5.093 8.250 -4.489 257 HG21 VAL 39 3HG2 VAL 39 -6.437 5.901 -2.925 258 HG22 VAL 39 1HG2 VAL 39 -5.153 5.804 -4.134 259 HG23 VAL 39 2HG2 VAL 39 -6.649 4.899 -4.363 260 H CYS 40 H CYS 40 -9.223 6.632 -6.868 261 HA CYS 40 HA CYS 40 -10.217 3.931 -6.215 262 HB2 CYS 40 2HB CYS 40 -11.813 5.612 -7.216 263 HB3 CYS 40 1HB CYS 40 -10.861 5.537 -8.698 264 H GLY 41 H GLY 41 -9.254 2.175 -7.009 265 HA2 GLY 41 2HA GLY 41 -6.797 2.506 -8.517 266 HA3 GLY 41 1HA GLY 41 -7.407 1.017 -7.820 267 H SER 42 H SER 42 -6.234 1.043 -10.299 268 HA SER 42 HA SER 42 -7.746 1.387 -12.564 269 HB2 SER 42 2HB SER 42 -5.878 -0.950 -12.075 270 HB3 SER 42 1HB SER 42 -6.329 -0.270 -13.640 271 HG SER 42 HG SER 42 -4.887 1.229 -13.383 272 H ASP 43 H ASP 43 -8.085 -1.135 -10.192 273 HA ASP 43 HA ASP 43 -9.624 -2.957 -11.723 274 HB2 ASP 43 2HB ASP 43 -8.509 -3.697 -9.715 275 HB3 ASP 43 1HB ASP 43 -9.374 -2.515 -8.739 276 H GLY 44 H GLY 44 -10.475 -0.082 -9.896 277 HA2 GLY 44 2HA GLY 44 -12.595 1.032 -10.376 278 HA3 GLY 44 1HA GLY 44 -13.339 -0.556 -10.498 279 H ALA 45 H ALA 45 -11.427 -1.100 -8.036 280 HA ALA 45 HA ALA 45 -13.413 -0.658 -6.016 281 HB1 ALA 45 3HB ALA 45 -11.848 -1.764 -4.515 282 HB2 ALA 45 1HB ALA 45 -10.571 -1.644 -5.728 283 HB3 ALA 45 2HB ALA 45 -11.982 -2.656 -6.029 284 H THR 46 H THR 46 -13.528 0.910 -4.501 285 HA THR 46 HA THR 46 -11.728 3.189 -4.707 286 HB THR 46 HB THR 46 -14.157 2.799 -2.937 287 HG1 THR 46 HG1 THR 46 -14.417 2.854 -5.334 288 HG21 THR 46 3HG2 THR 46 -12.609 5.313 -3.619 289 HG22 THR 46 1HG2 THR 46 -12.630 4.504 -2.050 290 HG23 THR 46 2HG2 THR 46 -14.102 5.246 -2.680 291 H TYR 47 H TYR 47 -9.873 3.178 -3.585 292 HA TYR 47 HA TYR 47 -9.634 1.636 -1.120 293 HB2 TYR 47 2HB TYR 47 -7.579 3.143 -2.759 294 HB3 TYR 47 1HB TYR 47 -7.206 2.240 -1.292 295 HD1 TYR 47 HD2 TYR 47 -8.232 1.969 -4.817 296 HD2 TYR 47 HD1 TYR 47 -7.178 -0.189 -1.295 297 HE1 TYR 47 HE2 TYR 47 -8.025 -0.091 -6.146 298 HE2 TYR 47 HE1 TYR 47 -6.979 -2.252 -2.616 299 HH TYR 47 HH TYR 47 -7.753 -3.182 -4.702 300 H ARG 48 H ARG 48 -8.499 2.604 0.760 301 HA ARG 48 HA ARG 48 -10.021 4.743 1.772 302 HB2 ARG 48 2HB ARG 48 -8.903 2.896 3.084 303 HB3 ARG 48 1HB ARG 48 -7.381 3.753 2.865 304 HG2 ARG 48 2HG ARG 48 -8.443 5.730 3.991 305 HG3 ARG 48 1HG ARG 48 -9.811 4.685 4.377 306 HD2 ARG 48 2HD ARG 48 -8.363 4.733 6.283 307 HD3 ARG 48 1HD ARG 48 -8.211 3.146 5.531 308 HE ARG 48 HE ARG 48 -6.214 4.684 4.431 309 HH11 ARG 48 1HH1 ARG 48 -7.086 3.700 7.614 310 HH12 ARG 48 2HH1 ARG 48 -5.451 3.723 8.181 311 HH21 ARG 48 1HH2 ARG 48 -4.141 4.735 5.172 312 HH22 ARG 48 2HH2 ARG 48 -3.807 4.301 6.814 313 H ASP 49 H ASP 49 -6.706 4.640 0.541 314 HA ASP 49 HA ASP 49 -6.782 7.362 -0.294 315 HB2 ASP 49 2HB ASP 49 -4.859 8.154 1.097 316 HB3 ASP 49 1HB ASP 49 -6.322 7.854 2.031 317 H GLU 50 H GLU 50 -4.400 8.016 -1.030 318 HA GLU 50 HA GLU 50 -3.723 6.016 -2.955 319 HB2 GLU 50 2HB GLU 50 -3.615 8.565 -3.252 320 HB3 GLU 50 1HB GLU 50 -2.079 8.486 -2.396 321 HG2 GLU 50 2HG GLU 50 -1.198 6.974 -4.103 322 HG3 GLU 50 1HG GLU 50 -2.737 7.030 -4.956 323 H CYS 51 H CYS 51 -2.406 6.935 0.146 324 HA CYS 51 HA CYS 51 0.153 5.713 -0.157 325 HB2 CYS 51 2HB CYS 51 -0.549 7.395 1.646 326 HB3 CYS 51 1HB CYS 51 -1.297 6.037 2.479 327 H GLU 52 H GLU 52 -2.960 4.577 1.097 328 HA GLU 52 HA GLU 52 -2.185 1.958 1.790 329 HB2 GLU 52 2HB GLU 52 -4.337 2.896 2.477 330 HB3 GLU 52 1HB GLU 52 -4.858 2.992 0.800 331 HG2 GLU 52 2HG GLU 52 -4.822 0.563 0.624 332 HG3 GLU 52 1HG GLU 52 -4.237 0.438 2.282 333 H LEU 53 H LEU 53 -3.490 3.255 -1.270 334 HA LEU 53 HA LEU 53 -3.500 0.896 -2.767 335 HB2 LEU 53 2HB LEU 53 -4.504 3.079 -3.446 336 HB3 LEU 53 1HB LEU 53 -2.898 3.687 -3.783 337 HG LEU 53 HG LEU 53 -3.926 1.242 -5.218 338 HD11 LEU 53 1HD1 LEU 53 -4.435 4.111 -6.021 339 HD12 LEU 53 2HD1 LEU 53 -5.652 2.950 -5.494 340 HD13 LEU 53 3HD1 LEU 53 -4.780 2.687 -7.004 341 HD21 LEU 53 3HD2 LEU 53 -1.549 1.778 -5.458 342 HD22 LEU 53 1HD2 LEU 53 -1.959 3.410 -5.988 343 HD23 LEU 53 2HD2 LEU 53 -2.401 2.021 -6.983 344 H ARG 54 H ARG 54 -0.862 3.225 -2.240 345 HA ARG 54 HA ARG 54 1.085 2.096 -3.895 346 HB2 ARG 54 2HB ARG 54 1.254 4.282 -2.653 347 HB3 ARG 54 1HB ARG 54 1.591 3.367 -1.190 348 HG2 ARG 54 2HG ARG 54 3.580 2.387 -2.351 349 HG3 ARG 54 1HG ARG 54 3.270 3.487 -3.695 350 HD2 ARG 54 2HD ARG 54 3.436 5.382 -2.058 351 HD3 ARG 54 1HD ARG 54 3.966 4.212 -0.849 352 HE ARG 54 HE ARG 54 5.434 4.732 -3.358 353 HH11 ARG 54 1HH1 ARG 54 5.408 4.023 0.006 354 HH12 ARG 54 2HH1 ARG 54 7.116 4.225 0.188 355 HH21 ARG 54 1HH2 ARG 54 7.639 4.972 -3.122 356 HH22 ARG 54 2HH2 ARG 54 8.365 4.732 -1.573 357 H ALA 55 H ALA 55 0.195 1.279 -0.557 358 HA ALA 55 HA ALA 55 2.167 -0.712 -0.143 359 HB1 ALA 55 3HB ALA 55 0.925 0.291 1.703 360 HB2 ALA 55 1HB ALA 55 0.754 -1.463 1.712 361 HB3 ALA 55 2HB ALA 55 -0.568 -0.451 1.121 362 H ALA 56 H ALA 56 -1.249 -0.972 -1.151 363 HA ALA 56 HA ALA 56 -1.430 -3.727 -1.480 364 HB1 ALA 56 3HB ALA 56 -3.354 -2.213 -1.574 365 HB2 ALA 56 1HB ALA 56 -3.307 -3.284 -2.976 366 HB3 ALA 56 2HB ALA 56 -2.800 -1.602 -3.133 367 H ARG 57 H ARG 57 -0.252 -1.290 -3.778 368 HA ARG 57 HA ARG 57 0.252 -2.841 -6.015 369 HB2 ARG 57 2HB ARG 57 0.601 -0.472 -6.103 370 HB3 ARG 57 1HB ARG 57 1.798 -0.532 -4.819 371 HG2 ARG 57 2HG ARG 57 2.956 -0.183 -6.866 372 HG3 ARG 57 1HG ARG 57 3.278 -1.839 -6.355 373 HD2 ARG 57 2HD ARG 57 2.871 -1.869 -8.703 374 HD3 ARG 57 1HD ARG 57 1.472 -2.590 -7.912 375 HE ARG 57 HE ARG 57 0.268 -0.538 -8.336 376 HH11 ARG 57 1HH1 ARG 57 3.236 -0.929 -10.046 377 HH12 ARG 57 2HH1 ARG 57 2.804 0.218 -11.264 378 HH21 ARG 57 1HH2 ARG 57 -0.261 0.922 -9.905 379 HH22 ARG 57 2HH2 ARG 57 0.853 1.256 -11.182 380 H CYS 58 H CYS 58 2.323 -2.399 -3.148 381 HA CYS 58 HA CYS 58 4.360 -4.186 -4.123 382 HB2 CYS 58 2HB CYS 58 5.058 -2.415 -2.653 383 HB3 CYS 58 1HB CYS 58 3.934 -2.939 -1.403 384 H ARG 59 H ARG 59 1.588 -4.513 -1.963 385 HA ARG 59 HA ARG 59 2.290 -6.911 -0.698 386 HB2 ARG 59 2HB ARG 59 -0.473 -5.925 -1.440 387 HB3 ARG 59 1HB ARG 59 -0.139 -7.230 -0.312 388 HG2 ARG 59 2HG ARG 59 0.597 -4.325 0.020 389 HG3 ARG 59 1HG ARG 59 -0.639 -5.217 0.904 390 HD2 ARG 59 2HD ARG 59 1.148 -6.688 1.813 391 HD3 ARG 59 1HD ARG 59 2.345 -5.673 1.009 392 HE ARG 59 HE ARG 59 0.529 -4.704 3.124 393 HH11 ARG 59 1HH1 ARG 59 3.605 -4.688 1.560 394 HH12 ARG 59 2HH1 ARG 59 4.288 -3.573 2.689 395 HH21 ARG 59 1HH2 ARG 59 1.424 -3.293 4.563 396 HH22 ARG 59 2HH2 ARG 59 3.075 -2.809 4.389 397 H GLY 60 H GLY 60 0.395 -6.453 -3.697 398 HA2 GLY 60 2HA GLY 60 1.545 -8.551 -5.094 399 HA3 GLY 60 1HA GLY 60 0.198 -9.261 -4.224 400 H HIS 61 H HIS 61 0.143 -5.986 -5.537 401 HA HIS 61 HA HIS 61 -1.527 -6.924 -7.774 402 HB2 HIS 61 2HB HIS 61 -2.182 -4.657 -5.880 403 HB3 HIS 61 1HB HIS 61 -2.985 -4.891 -7.430 404 HD1 HIS 61 HD1 HIS 61 -3.155 -5.890 -3.931 405 HD2 HIS 61 HD2 HIS 61 -4.420 -7.450 -7.569 406 HE1 HIS 61 HE1 HIS 61 -4.885 -7.613 -3.358 407 HE2 HIS 61 HE2 HIS 61 -5.744 -8.430 -5.577 408 HA PRO 62 HA PRO 62 1.886 -4.192 -9.271 409 HB2 PRO 62 2HB PRO 62 1.741 -5.963 -11.630 410 HB3 PRO 62 1HB PRO 62 3.127 -5.558 -10.616 411 HG2 PRO 62 2HG PRO 62 2.006 -7.994 -10.535 412 HG3 PRO 62 1HG PRO 62 2.658 -7.226 -9.074 413 HD2 PRO 62 2HD PRO 62 -0.197 -7.423 -9.997 414 HD3 PRO 62 1HD PRO 62 0.478 -7.683 -8.372 415 H ASP 63 H ASP 63 -0.987 -5.370 -10.980 416 HA ASP 63 HA ASP 63 -0.891 -3.401 -13.063 417 HB2 ASP 63 2HB ASP 63 -3.237 -5.103 -12.181 418 HB3 ASP 63 1HB ASP 63 -3.055 -4.282 -13.729 419 H LEU 64 H LEU 64 -1.781 -3.180 -9.826 420 HA LEU 64 HA LEU 64 -4.121 -1.540 -10.108 421 HB2 LEU 64 2HB LEU 64 -3.771 -3.024 -8.185 422 HB3 LEU 64 1HB LEU 64 -2.375 -2.079 -7.704 423 HG LEU 64 HG LEU 64 -3.877 -0.115 -7.353 424 HD11 LEU 64 1HD1 LEU 64 -5.687 -0.767 -8.859 425 HD12 LEU 64 2HD1 LEU 64 -6.288 -0.474 -7.227 426 HD13 LEU 64 3HD1 LEU 64 -6.082 -2.126 -7.808 427 HD21 LEU 64 3HD2 LEU 64 -4.576 -2.594 -5.776 428 HD22 LEU 64 1HD2 LEU 64 -4.828 -0.928 -5.255 429 HD23 LEU 64 2HD2 LEU 64 -3.192 -1.542 -5.487 430 H SER 65 H SER 65 -3.931 0.468 -10.935 431 HA SER 65 HA SER 65 -1.959 2.300 -9.702 432 HB2 SER 65 2HB SER 65 -3.055 2.426 -12.534 433 HB3 SER 65 1HB SER 65 -1.956 3.598 -11.807 434 HG SER 65 HG SER 65 -0.396 2.343 -12.403 435 H VAL 66 H VAL 66 -2.704 4.578 -9.570 436 HA VAL 66 HA VAL 66 -5.536 4.703 -8.895 437 HB VAL 66 HB VAL 66 -4.112 5.684 -7.261 438 HG11 VAL 66 1HG1 VAL 66 -2.579 7.545 -7.716 439 HG12 VAL 66 2HG1 VAL 66 -2.951 7.430 -9.438 440 HG13 VAL 66 3HG1 VAL 66 -2.135 6.095 -8.619 441 HG21 VAL 66 3HG2 VAL 66 -4.963 7.976 -7.126 442 HG22 VAL 66 1HG2 VAL 66 -6.221 6.860 -7.651 443 HG23 VAL 66 2HG2 VAL 66 -5.431 7.912 -8.824 444 H MET 67 H MET 67 -6.942 5.100 -10.482 445 HA MET 67 HA MET 67 -6.367 6.411 -12.922 446 HB2 MET 67 2HB MET 67 -9.003 5.896 -11.525 447 HB3 MET 67 1HB MET 67 -8.882 6.586 -13.136 448 HG2 MET 67 2HG MET 67 -7.728 4.542 -13.890 449 HG3 MET 67 1HG MET 67 -7.955 3.853 -12.280 450 HE1 MET 67 3HE MET 67 -9.134 1.742 -13.525 451 HE2 MET 67 1HE MET 67 -8.972 2.535 -15.093 452 HE3 MET 67 2HE MET 67 -10.538 1.910 -14.581 453 H TYR 68 H TYR 68 -8.351 7.562 -10.194 454 HA TYR 68 HA TYR 68 -7.123 10.166 -10.285 455 HB2 TYR 68 2HB TYR 68 -9.299 11.391 -10.510 456 HB3 TYR 68 1HB TYR 68 -8.788 10.566 -11.976 457 HD1 TYR 68 HD1 TYR 68 -11.261 10.598 -9.249 458 HD2 TYR 68 HD2 TYR 68 -10.062 8.694 -12.865 459 HE1 TYR 68 HE1 TYR 68 -13.458 9.503 -9.395 460 HE2 TYR 68 HE2 TYR 68 -12.257 7.595 -13.018 461 HH TYR 68 HH TYR 68 -14.103 6.954 -11.577 462 H ARG 69 H ARG 69 -8.315 11.638 -8.566 463 HA ARG 69 HA ARG 69 -8.155 10.089 -6.133 464 HB2 ARG 69 2HB ARG 69 -8.441 13.038 -6.689 465 HB3 ARG 69 1HB ARG 69 -8.539 12.389 -5.059 466 HG2 ARG 69 2HG ARG 69 -6.304 13.226 -5.529 467 HG3 ARG 69 1HG ARG 69 -6.278 11.485 -5.259 468 HD2 ARG 69 2HD ARG 69 -6.171 11.100 -7.672 469 HD3 ARG 69 1HD ARG 69 -6.257 12.837 -7.963 470 HE ARG 69 HE ARG 69 -4.076 12.611 -6.399 471 HH11 ARG 69 1HH1 ARG 69 -5.039 10.980 -9.272 472 HH12 ARG 69 2HH1 ARG 69 -3.419 10.720 -9.808 473 HH21 ARG 69 1HH2 ARG 69 -2.007 12.323 -7.106 474 HH22 ARG 69 2HH2 ARG 69 -1.712 11.502 -8.598 475 H GLY 70 H GLY 70 -9.739 10.330 -4.379 476 HA2 GLY 70 2HA GLY 70 -11.882 10.139 -3.542 477 HA3 GLY 70 1HA GLY 70 -12.491 10.858 -5.026 478 H ARG 71 H ARG 71 -14.179 9.151 -4.577 479 HA ARG 71 HA ARG 71 -13.449 6.418 -5.236 480 HB2 ARG 71 2HB ARG 71 -15.879 5.964 -5.013 481 HB3 ARG 71 1HB ARG 71 -15.198 6.752 -3.598 482 HG2 ARG 71 2HG ARG 71 -16.181 8.847 -4.192 483 HG3 ARG 71 1HG ARG 71 -16.677 8.228 -5.770 484 HD2 ARG 71 2HD ARG 71 -17.679 7.198 -3.109 485 HD3 ARG 71 1HD ARG 71 -18.539 8.348 -4.136 486 HE ARG 71 HE ARG 71 -17.855 5.637 -5.077 487 HH11 ARG 71 1HH1 ARG 71 -20.170 8.130 -4.529 488 HH12 ARG 71 2HH1 ARG 71 -21.421 7.308 -5.388 489 HH21 ARG 71 1HH2 ARG 71 -19.468 4.595 -6.190 490 HH22 ARG 71 2HH2 ARG 71 -21.027 5.326 -6.324 491 H CYS 72 H CYS 72 -14.369 5.227 -7.044 492 HA CYS 72 HA CYS 72 -14.371 6.620 -9.520 493 HB2 CYS 72 2HB CYS 72 -15.030 3.799 -8.738 494 HB3 CYS 72 1HB CYS 72 -15.425 4.365 -10.356 495 H ARG 73 H ARG 73 -15.869 8.163 -9.766 496 HA ARG 73 HA ARG 73 -18.665 7.630 -9.061 497 HB2 ARG 73 2HB ARG 73 -18.979 10.053 -9.371 498 HB3 ARG 73 1HB ARG 73 -17.681 9.705 -8.239 499 HG2 ARG 73 2HG ARG 73 -16.059 10.064 -10.121 500 HG3 ARG 73 1HG ARG 73 -17.420 10.616 -11.100 501 HD2 ARG 73 2HD ARG 73 -17.874 12.330 -9.310 502 HD3 ARG 73 1HD ARG 73 -16.345 11.859 -8.566 503 HE ARG 73 HE ARG 73 -16.680 13.187 -11.163 504 HH11 ARG 73 1HH1 ARG 73 -14.583 12.111 -8.634 505 HH12 ARG 73 2HH1 ARG 73 -13.254 13.055 -9.211 506 HH21 ARG 73 1HH2 ARG 73 -14.965 14.397 -11.850 507 HH22 ARG 73 2HH2 ARG 73 -13.468 14.330 -10.983 508 H LYS 74 H LYS 74 -20.126 7.056 -10.566 509 HA LYS 74 HA LYS 74 -19.450 7.491 -13.414 510 HB2 LYS 74 2HB LYS 74 -20.943 5.528 -13.862 511 HB3 LYS 74 1HB LYS 74 -19.504 5.150 -12.926 512 HG2 LYS 74 2HG LYS 74 -20.821 5.104 -10.874 513 HG3 LYS 74 1HG LYS 74 -22.269 5.552 -11.779 514 HD2 LYS 74 2HD LYS 74 -22.020 3.459 -13.111 515 HD3 LYS 74 1HD LYS 74 -20.665 3.003 -12.075 516 HE2 LYS 74 2HE LYS 74 -22.156 3.045 -10.123 517 HE3 LYS 74 1HE LYS 74 -23.504 3.495 -11.164 518 HZ1 LYS 74 3HZ LYS 74 -23.212 1.379 -12.342 519 HZ2 LYS 74 1HZ LYS 74 -23.552 1.148 -10.702 520 HZ3 LYS 74 2HZ LYS 74 -21.976 0.951 -11.280 Start of MODEL 8 1 H1 SER 1 1H SER 1 9.819 5.888 16.612 2 H2 SER 1 2H SER 1 8.360 5.709 15.774 3 H3 SER 1 3H SER 1 9.190 7.178 15.715 4 HA SER 1 HA SER 1 9.463 5.936 13.668 5 HB2 SER 1 2HB SER 1 11.993 6.133 15.337 6 HB3 SER 1 1HB SER 1 11.935 6.029 13.578 7 HG SER 1 HG SER 1 12.146 8.189 14.327 8 H ASP 2 H ASP 2 10.898 4.176 12.679 9 HA ASP 2 HA ASP 2 10.309 1.664 14.075 10 HB2 ASP 2 2HB ASP 2 11.142 2.116 11.196 11 HB3 ASP 2 1HB ASP 2 10.554 0.608 11.894 12 H SER 3 H SER 3 11.848 0.321 14.831 13 HA SER 3 HA SER 3 14.664 0.752 14.024 14 HB2 SER 3 2HB SER 3 14.510 1.666 16.237 15 HB3 SER 3 1HB SER 3 13.600 0.273 16.814 16 HG SER 3 HG SER 3 15.391 -0.815 17.052 17 H CYS 4 H CYS 4 15.827 -1.058 13.580 18 HA CYS 4 HA CYS 4 14.434 -3.656 13.905 19 HB2 CYS 4 2HB CYS 4 16.105 -2.866 11.508 20 HB3 CYS 4 1HB CYS 4 15.105 -4.303 11.690 21 H ASP 5 H ASP 5 15.606 -5.152 14.951 22 HA ASP 5 HA ASP 5 18.493 -4.903 15.238 23 HB2 ASP 5 2HB ASP 5 16.715 -7.172 16.169 24 HB3 ASP 5 1HB ASP 5 18.320 -6.752 16.767 25 H GLY 6 H GLY 6 19.730 -5.558 13.537 26 HA2 GLY 6 2HA GLY 6 20.666 -6.964 11.965 27 HA3 GLY 6 1HA GLY 6 19.673 -8.254 12.615 28 H VAL 7 H VAL 7 17.143 -6.812 12.011 29 HA VAL 7 HA VAL 7 16.640 -7.951 9.484 30 HB VAL 7 HB VAL 7 14.947 -5.908 10.943 31 HG11 VAL 7 1HG1 VAL 7 14.216 -7.995 8.884 32 HG12 VAL 7 2HG1 VAL 7 14.218 -6.245 8.656 33 HG13 VAL 7 3HG1 VAL 7 13.068 -6.986 9.766 34 HG21 VAL 7 3HG2 VAL 7 14.961 -8.919 11.220 35 HG22 VAL 7 1HG2 VAL 7 13.785 -7.826 11.953 36 HG23 VAL 7 2HG2 VAL 7 15.480 -7.752 12.438 37 H GLU 8 H GLU 8 16.657 -7.122 7.459 38 HA GLU 8 HA GLU 8 17.978 -4.605 7.021 39 HB2 GLU 8 2HB GLU 8 18.409 -6.610 5.630 40 HB3 GLU 8 1HB GLU 8 16.761 -6.532 5.024 41 HG2 GLU 8 2HG GLU 8 18.264 -5.615 3.387 42 HG3 GLU 8 1HG GLU 8 17.248 -4.328 4.034 43 H CYS 9 H CYS 9 16.816 -2.785 7.356 44 HA CYS 9 HA CYS 9 14.353 -2.394 5.787 45 HB2 CYS 9 2HB CYS 9 14.647 -1.581 8.694 46 HB3 CYS 9 1HB CYS 9 13.263 -1.231 7.662 47 H GLY 10 H GLY 10 13.696 0.109 6.128 48 HA2 GLY 10 2HA GLY 10 14.716 2.339 6.423 49 HA3 GLY 10 1HA GLY 10 16.177 1.680 5.708 50 HA PRO 11 HA PRO 11 14.889 3.134 1.723 51 HB2 PRO 11 2HB PRO 11 15.657 1.052 0.084 52 HB3 PRO 11 1HB PRO 11 16.757 2.280 0.719 53 HG2 PRO 11 2HG PRO 11 16.229 -0.492 1.729 54 HG3 PRO 11 1HG PRO 11 17.774 0.366 1.567 55 HD2 PRO 11 2HD PRO 11 16.548 0.124 3.943 56 HD3 PRO 11 1HD PRO 11 17.436 1.600 3.505 57 H GLY 12 H GLY 12 12.636 3.114 2.058 58 HA2 GLY 12 2HA GLY 12 10.473 2.569 1.528 59 HA3 GLY 12 1HA GLY 12 11.122 1.425 0.367 60 H LYS 13 H LYS 13 11.958 1.098 3.758 61 HA LYS 13 HA LYS 13 9.892 -0.939 4.158 62 HB2 LYS 13 2HB LYS 13 12.845 -1.528 4.157 63 HB3 LYS 13 1HB LYS 13 11.715 -2.521 5.065 64 HG2 LYS 13 2HG LYS 13 10.484 -2.978 2.966 65 HG3 LYS 13 1HG LYS 13 11.712 -2.070 2.088 66 HD2 LYS 13 2HD LYS 13 12.181 -4.565 3.731 67 HD3 LYS 13 1HD LYS 13 12.136 -4.476 1.969 68 HE2 LYS 13 2HE LYS 13 14.089 -2.989 1.996 69 HE3 LYS 13 1HE LYS 13 14.129 -3.069 3.757 70 HZ1 LYS 13 3HZ LYS 13 14.435 -5.412 1.962 71 HZ2 LYS 13 1HZ LYS 13 14.604 -5.402 3.646 72 HZ3 LYS 13 2HZ LYS 13 15.721 -4.578 2.674 73 H ALA 14 H ALA 14 9.377 -1.416 6.243 74 HA ALA 14 HA ALA 14 10.935 -0.275 8.456 75 HB1 ALA 14 3HB ALA 14 9.210 1.385 7.959 76 HB2 ALA 14 1HB ALA 14 8.902 0.609 9.512 77 HB3 ALA 14 2HB ALA 14 7.961 0.146 8.094 78 H CYS 15 H CYS 15 10.601 -1.408 10.481 79 HA CYS 15 HA CYS 15 9.430 -4.093 10.065 80 HB2 CYS 15 2HB CYS 15 11.060 -4.922 11.722 81 HB3 CYS 15 1HB CYS 15 11.839 -4.190 10.323 82 H ARG 16 H ARG 16 8.135 -5.026 11.581 83 HA ARG 16 HA ARG 16 7.491 -3.473 14.011 84 HB2 ARG 16 2HB ARG 16 5.554 -4.826 12.117 85 HB3 ARG 16 1HB ARG 16 5.106 -4.228 13.709 86 HG2 ARG 16 2HG ARG 16 6.231 -2.519 11.490 87 HG3 ARG 16 1HG ARG 16 4.514 -2.684 11.870 88 HD2 ARG 16 2HD ARG 16 4.758 -1.623 13.957 89 HD3 ARG 16 1HD ARG 16 6.509 -1.814 13.947 90 HE ARG 16 HE ARG 16 6.261 -0.215 11.888 91 HH11 ARG 16 1HH1 ARG 16 4.463 -0.065 14.830 92 HH12 ARG 16 2HH1 ARG 16 4.382 1.660 14.811 93 HH21 ARG 16 1HH2 ARG 16 6.173 1.976 11.896 94 HH22 ARG 16 2HH2 ARG 16 5.343 2.808 13.167 95 H MET 17 H MET 17 6.381 -4.808 15.708 96 HA MET 17 HA MET 17 7.837 -7.307 16.000 97 HB2 MET 17 2HB MET 17 5.955 -5.933 17.934 98 HB3 MET 17 1HB MET 17 7.026 -7.277 18.306 99 HG2 MET 17 2HG MET 17 7.889 -4.506 17.487 100 HG3 MET 17 1HG MET 17 7.920 -5.165 19.121 101 HE1 MET 17 3HE MET 17 9.513 -7.187 19.873 102 HE2 MET 17 1HE MET 17 10.632 -8.000 18.777 103 HE3 MET 17 2HE MET 17 8.892 -8.180 18.554 104 H LEU 18 H LEU 18 6.916 -8.934 14.839 105 HA LEU 18 HA LEU 18 4.042 -9.478 15.239 106 HB2 LEU 18 2HB LEU 18 5.953 -10.325 13.061 107 HB3 LEU 18 1HB LEU 18 4.390 -11.089 13.280 108 HG LEU 18 HG LEU 18 3.327 -8.822 12.954 109 HD11 LEU 18 1HD1 LEU 18 6.105 -8.034 12.079 110 HD12 LEU 18 2HD1 LEU 18 5.228 -7.407 13.473 111 HD13 LEU 18 3HD1 LEU 18 4.639 -7.079 11.846 112 HD21 LEU 18 3HD2 LEU 18 3.407 -10.499 11.178 113 HD22 LEU 18 1HD2 LEU 18 4.973 -9.879 10.653 114 HD23 LEU 18 2HD2 LEU 18 3.535 -8.865 10.529 115 H GLY 19 H GLY 19 3.690 -10.844 16.859 116 HA2 GLY 19 2HA GLY 19 3.802 -12.716 18.195 117 HA3 GLY 19 1HA GLY 19 4.711 -13.483 16.904 118 H GLY 20 H GLY 20 5.839 -10.545 18.425 119 HA2 GLY 20 2HA GLY 20 7.492 -10.235 20.057 120 HA3 GLY 20 1HA GLY 20 7.700 -11.975 20.157 121 H ARG 21 H ARG 21 7.778 -11.416 16.942 122 HA ARG 21 HA ARG 21 10.704 -10.997 16.932 123 HB2 ARG 21 2HB ARG 21 8.976 -12.735 15.167 124 HB3 ARG 21 1HB ARG 21 10.617 -12.291 14.728 125 HG2 ARG 21 2HG ARG 21 10.753 -14.437 15.688 126 HG3 ARG 21 1HG ARG 21 11.368 -13.319 16.905 127 HD2 ARG 21 2HD ARG 21 9.130 -13.366 17.996 128 HD3 ARG 21 1HD ARG 21 8.624 -14.585 16.827 129 HE ARG 21 HE ARG 21 10.949 -15.515 18.028 130 HH11 ARG 21 1HH1 ARG 21 7.718 -14.757 18.972 131 HH12 ARG 21 2HH1 ARG 21 7.710 -15.907 20.260 132 HH21 ARG 21 1HH2 ARG 21 10.929 -16.986 19.681 133 HH22 ARG 21 2HH2 ARG 21 9.511 -17.155 20.657 134 HA PRO 22 HA PRO 22 9.699 -7.380 14.446 135 HB2 PRO 22 2HB PRO 22 12.231 -6.529 14.011 136 HB3 PRO 22 1HB PRO 22 11.429 -6.345 15.576 137 HG2 PRO 22 2HG PRO 22 13.393 -8.434 14.692 138 HG3 PRO 22 1HG PRO 22 13.338 -7.528 16.216 139 HD2 PRO 22 2HD PRO 22 12.397 -10.071 15.979 140 HD3 PRO 22 1HD PRO 22 11.705 -8.893 17.115 141 H ARG 23 H ARG 23 8.955 -7.818 12.423 142 HA ARG 23 HA ARG 23 10.909 -8.792 10.423 143 HB2 ARG 23 2HB ARG 23 7.930 -9.331 10.497 144 HB3 ARG 23 1HB ARG 23 9.014 -9.818 9.197 145 HG2 ARG 23 2HG ARG 23 9.103 -10.770 12.063 146 HG3 ARG 23 1HG ARG 23 8.584 -11.701 10.655 147 HD2 ARG 23 2HD ARG 23 10.803 -11.696 9.748 148 HD3 ARG 23 1HD ARG 23 11.358 -10.543 10.959 149 HE ARG 23 HE ARG 23 10.616 -13.343 11.528 150 HH11 ARG 23 1HH1 ARG 23 12.415 -10.494 12.270 151 HH12 ARG 23 2HH1 ARG 23 13.337 -11.272 13.507 152 HH21 ARG 23 1HH2 ARG 23 11.804 -14.318 13.123 153 HH22 ARG 23 2HH2 ARG 23 13.007 -13.411 13.980 154 H CYS 24 H CYS 24 10.621 -7.979 8.213 155 HA CYS 24 HA CYS 24 9.921 -5.117 8.413 156 HB2 CYS 24 2HB CYS 24 12.312 -6.086 7.860 157 HB3 CYS 24 1HB CYS 24 11.661 -6.207 6.230 158 H GLU 25 H GLU 25 8.646 -4.091 6.977 159 HA GLU 25 HA GLU 25 7.598 -5.557 4.639 160 HB2 GLU 25 2HB GLU 25 6.009 -3.748 6.486 161 HB3 GLU 25 1HB GLU 25 5.404 -4.455 4.997 162 HG2 GLU 25 2HG GLU 25 5.734 -6.710 5.994 163 HG3 GLU 25 1HG GLU 25 6.190 -5.923 7.507 164 H CYS 26 H CYS 26 6.823 -4.090 2.903 165 HA CYS 26 HA CYS 26 8.575 -1.835 2.583 166 HB2 CYS 26 2HB CYS 26 7.529 -1.553 0.390 167 HB3 CYS 26 1HB CYS 26 7.972 -3.233 0.661 168 H ALA 27 H ALA 27 8.108 0.337 2.586 169 HA ALA 27 HA ALA 27 5.468 1.127 3.664 170 HB1 ALA 27 3HB ALA 27 6.588 2.892 4.914 171 HB2 ALA 27 1HB ALA 27 8.145 2.405 4.242 172 HB3 ALA 27 2HB ALA 27 7.272 1.320 5.323 173 HA PRO 28 HA PRO 28 5.353 3.525 -0.114 174 HB2 PRO 28 2HB PRO 28 2.749 4.528 0.664 175 HB3 PRO 28 1HB PRO 28 3.141 3.291 -0.530 176 HG2 PRO 28 2HG PRO 28 1.845 2.776 1.830 177 HG3 PRO 28 1HG PRO 28 2.813 1.577 0.952 178 HD2 PRO 28 2HD PRO 28 3.566 3.248 3.332 179 HD3 PRO 28 1HD PRO 28 3.904 1.532 3.004 180 H ASP 29 H ASP 29 6.405 4.817 2.504 181 HA ASP 29 HA ASP 29 6.979 6.879 3.291 182 HB2 ASP 29 2HB ASP 29 6.547 7.617 0.385 183 HB3 ASP 29 1HB ASP 29 7.377 8.627 1.567 184 H CYS 30 H CYS 30 4.328 6.286 3.808 185 HA CYS 30 HA CYS 30 2.515 8.249 2.818 186 HB2 CYS 30 2HB CYS 30 2.131 6.523 5.268 187 HB3 CYS 30 1HB CYS 30 0.881 7.294 4.289 188 H SER 31 H SER 31 3.475 10.249 3.261 189 HA SER 31 HA SER 31 2.637 11.321 5.835 190 HB2 SER 31 2HB SER 31 5.021 10.786 6.219 191 HB3 SER 31 1HB SER 31 5.464 11.753 4.811 192 HG SER 31 HG SER 31 4.943 12.546 7.350 193 H GLY 32 H GLY 32 1.847 13.390 5.657 194 HA2 GLY 32 2HA GLY 32 1.450 15.489 4.722 195 HA3 GLY 32 1HA GLY 32 2.566 15.099 3.427 196 H LEU 33 H LEU 33 1.478 12.907 2.254 197 HA LEU 33 HA LEU 33 -0.660 13.985 0.735 198 HB2 LEU 33 2HB LEU 33 -0.566 12.029 -0.571 199 HB3 LEU 33 1HB LEU 33 1.080 12.298 -0.041 200 HG LEU 33 HG LEU 33 -0.828 10.259 1.124 201 HD11 LEU 33 1HD1 LEU 33 0.612 8.605 0.071 202 HD12 LEU 33 2HD1 LEU 33 1.589 9.889 -0.641 203 HD13 LEU 33 3HD1 LEU 33 -0.093 9.687 -1.129 204 HD21 LEU 33 3HD2 LEU 33 2.085 10.773 1.728 205 HD22 LEU 33 1HD2 LEU 33 1.131 9.417 2.332 206 HD23 LEU 33 2HD2 LEU 33 0.723 11.063 2.812 207 HA PRO 34 HA PRO 34 -4.353 12.891 2.932 208 HB2 PRO 34 2HB PRO 34 -5.368 11.732 0.371 209 HB3 PRO 34 1HB PRO 34 -6.100 12.947 1.427 210 HG2 PRO 34 2HG PRO 34 -4.972 13.665 -0.873 211 HG3 PRO 34 1HG PRO 34 -4.780 14.668 0.579 212 HD2 PRO 34 2HD PRO 34 -2.834 12.773 -0.692 213 HD3 PRO 34 1HD PRO 34 -2.538 14.355 0.059 214 H ALA 35 H ALA 35 -4.379 11.247 4.329 215 HA ALA 35 HA ALA 35 -4.187 8.473 3.316 216 HB1 ALA 35 3HB ALA 35 -3.263 9.496 6.004 217 HB2 ALA 35 1HB ALA 35 -2.215 9.157 4.626 218 HB3 ALA 35 2HB ALA 35 -3.109 7.847 5.397 219 H ARG 36 H ARG 36 -6.392 10.570 4.299 220 HA ARG 36 HA ARG 36 -8.045 8.477 5.574 221 HB2 ARG 36 2HB ARG 36 -8.042 11.443 6.214 222 HB3 ARG 36 1HB ARG 36 -9.183 10.272 6.865 223 HG2 ARG 36 2HG ARG 36 -7.414 9.120 8.037 224 HG3 ARG 36 1HG ARG 36 -6.197 10.156 7.291 225 HD2 ARG 36 2HD ARG 36 -7.144 12.102 8.432 226 HD3 ARG 36 1HD ARG 36 -8.384 11.082 9.162 227 HE ARG 36 HE ARG 36 -6.384 9.876 10.199 228 HH11 ARG 36 1HH1 ARG 36 -6.365 13.238 9.458 229 HH12 ARG 36 2HH1 ARG 36 -5.287 13.629 10.753 230 HH21 ARG 36 1HH2 ARG 36 -4.999 10.392 11.866 231 HH22 ARG 36 2HH2 ARG 36 -4.530 12.042 12.097 232 H LEU 37 H LEU 37 -7.629 9.718 2.773 233 HA LEU 37 HA LEU 37 -10.480 10.208 2.170 234 HB2 LEU 37 2HB LEU 37 -8.896 12.234 2.069 235 HB3 LEU 37 1HB LEU 37 -8.184 11.471 0.664 236 HG LEU 37 HG LEU 37 -11.117 12.209 0.823 237 HD11 LEU 37 1HD1 LEU 37 -9.777 14.231 1.080 238 HD12 LEU 37 2HD1 LEU 37 -10.564 14.191 -0.495 239 HD13 LEU 37 3HD1 LEU 37 -8.847 13.814 -0.360 240 HD21 LEU 37 3HD2 LEU 37 -11.018 12.068 -1.621 241 HD22 LEU 37 1HD2 LEU 37 -10.589 10.533 -0.869 242 HD23 LEU 37 2HD2 LEU 37 -9.327 11.573 -1.529 243 H GLN 38 H GLN 38 -11.320 8.849 0.684 244 HA GLN 38 HA GLN 38 -9.861 6.576 -0.134 245 HB2 GLN 38 2HB GLN 38 -12.541 7.561 -1.137 246 HB3 GLN 38 1HB GLN 38 -11.895 5.941 -1.366 247 HG2 GLN 38 2HG GLN 38 -11.897 5.623 1.082 248 HG3 GLN 38 1HG GLN 38 -12.616 7.222 1.267 249 HE21 GLN 38 1HE2 GLN 38 -13.432 4.983 -1.299 250 HE22 GLN 38 2HE2 GLN 38 -15.047 4.675 -0.774 251 H VAL 39 H VAL 39 -9.180 5.842 -2.147 252 HA VAL 39 HA VAL 39 -9.306 7.680 -4.445 253 HB VAL 39 HB VAL 39 -6.951 7.239 -5.034 254 HG11 VAL 39 1HG1 VAL 39 -7.286 8.422 -2.271 255 HG12 VAL 39 2HG1 VAL 39 -7.450 9.278 -3.805 256 HG13 VAL 39 3HG1 VAL 39 -5.880 8.640 -3.316 257 HG21 VAL 39 3HG2 VAL 39 -6.665 5.086 -3.928 258 HG22 VAL 39 1HG2 VAL 39 -6.795 5.862 -2.349 259 HG23 VAL 39 2HG2 VAL 39 -5.423 6.219 -3.398 260 H CYS 40 H CYS 40 -9.282 6.628 -6.498 261 HA CYS 40 HA CYS 40 -9.863 3.737 -6.308 262 HB2 CYS 40 2HB CYS 40 -11.656 5.283 -7.184 263 HB3 CYS 40 1HB CYS 40 -10.627 5.575 -8.584 264 H GLY 41 H GLY 41 -8.687 2.256 -7.366 265 HA2 GLY 41 2HA GLY 41 -6.267 3.169 -8.724 266 HA3 GLY 41 1HA GLY 41 -6.585 1.549 -8.137 267 H SER 42 H SER 42 -5.458 1.529 -10.445 268 HA SER 42 HA SER 42 -6.833 1.980 -12.801 269 HB2 SER 42 2HB SER 42 -4.906 -0.312 -12.343 270 HB3 SER 42 1HB SER 42 -5.254 0.496 -13.870 271 HG SER 42 HG SER 42 -3.674 1.776 -13.362 272 H ASP 43 H ASP 43 -7.216 -0.675 -10.568 273 HA ASP 43 HA ASP 43 -8.686 -2.360 -12.395 274 HB2 ASP 43 2HB ASP 43 -8.323 -2.537 -9.391 275 HB3 ASP 43 1HB ASP 43 -8.997 -3.804 -10.415 276 H GLY 44 H GLY 44 -9.631 0.475 -11.222 277 HA2 GLY 44 2HA GLY 44 -11.707 1.450 -10.942 278 HA3 GLY 44 1HA GLY 44 -12.435 -0.095 -11.356 279 H ALA 45 H ALA 45 -10.224 -0.427 -8.856 280 HA ALA 45 HA ALA 45 -12.356 -0.785 -6.896 281 HB1 ALA 45 3HB ALA 45 -10.678 -1.949 -5.569 282 HB2 ALA 45 1HB ALA 45 -9.419 -1.472 -6.708 283 HB3 ALA 45 2HB ALA 45 -10.695 -2.574 -7.216 284 H THR 46 H THR 46 -12.775 0.665 -5.322 285 HA THR 46 HA THR 46 -11.007 2.985 -5.079 286 HB THR 46 HB THR 46 -13.740 2.535 -3.847 287 HG1 THR 46 HG1 THR 46 -13.637 2.704 -6.210 288 HG21 THR 46 3HG2 THR 46 -12.042 5.029 -4.083 289 HG22 THR 46 1HG2 THR 46 -12.422 4.165 -2.592 290 HG23 THR 46 2HG2 THR 46 -13.701 4.980 -3.492 291 H TYR 47 H TYR 47 -9.348 2.656 -3.732 292 HA TYR 47 HA TYR 47 -9.577 1.001 -1.379 293 HB2 TYR 47 2HB TYR 47 -7.302 2.667 -2.474 294 HB3 TYR 47 1HB TYR 47 -7.178 1.682 -1.020 295 HD1 TYR 47 HD1 TYR 47 -7.160 -0.760 -1.163 296 HD2 TYR 47 HD2 TYR 47 -7.384 1.633 -4.681 297 HE1 TYR 47 HE1 TYR 47 -6.584 -2.721 -2.529 298 HE2 TYR 47 HE2 TYR 47 -6.813 -0.325 -6.055 299 HH TYR 47 HH TYR 47 -6.986 -3.439 -4.981 300 H ARG 48 H ARG 48 -8.993 1.738 0.770 301 HA ARG 48 HA ARG 48 -10.629 3.753 1.728 302 HB2 ARG 48 2HB ARG 48 -8.110 2.716 3.036 303 HB3 ARG 48 1HB ARG 48 -9.448 3.514 3.853 304 HG2 ARG 48 2HG ARG 48 -10.921 1.669 3.325 305 HG3 ARG 48 1HG ARG 48 -9.650 0.889 2.382 306 HD2 ARG 48 2HD ARG 48 -8.268 0.777 4.448 307 HD3 ARG 48 1HD ARG 48 -9.639 1.415 5.354 308 HE ARG 48 HE ARG 48 -10.843 -0.640 4.483 309 HH11 ARG 48 1HH1 ARG 48 -7.432 -0.588 4.965 310 HH12 ARG 48 2HH1 ARG 48 -7.354 -2.266 5.380 311 HH21 ARG 48 1HH2 ARG 48 -10.722 -2.802 4.965 312 HH22 ARG 48 2HH2 ARG 48 -9.196 -3.503 5.381 313 H ASP 49 H ASP 49 -7.271 3.996 0.710 314 HA ASP 49 HA ASP 49 -7.423 6.796 0.333 315 HB2 ASP 49 2HB ASP 49 -5.664 7.436 2.029 316 HB3 ASP 49 1HB ASP 49 -7.237 7.023 2.703 317 H GLU 50 H GLU 50 -5.129 7.730 -0.076 318 HA GLU 50 HA GLU 50 -3.981 6.350 -2.214 319 HB2 GLU 50 2HB GLU 50 -3.822 8.783 -1.903 320 HB3 GLU 50 1HB GLU 50 -2.765 8.547 -0.521 321 HG2 GLU 50 2HG GLU 50 -1.410 9.158 -2.370 322 HG3 GLU 50 1HG GLU 50 -1.121 7.451 -2.047 323 H CYS 51 H CYS 51 -2.863 6.606 1.158 324 HA CYS 51 HA CYS 51 -0.458 5.147 0.858 325 HB2 CYS 51 2HB CYS 51 -0.959 6.523 2.852 326 HB3 CYS 51 1HB CYS 51 -2.227 5.389 3.312 327 H GLU 52 H GLU 52 -3.765 4.150 1.597 328 HA GLU 52 HA GLU 52 -3.302 1.414 2.099 329 HB2 GLU 52 2HB GLU 52 -5.409 2.760 2.564 330 HB3 GLU 52 1HB GLU 52 -5.786 2.624 0.855 331 HG2 GLU 52 2HG GLU 52 -7.039 0.968 1.972 332 HG3 GLU 52 1HG GLU 52 -5.732 0.131 1.136 333 H LEU 53 H LEU 53 -4.105 3.162 -0.883 334 HA LEU 53 HA LEU 53 -4.321 0.960 -2.613 335 HB2 LEU 53 2HB LEU 53 -5.102 3.258 -3.111 336 HB3 LEU 53 1HB LEU 53 -3.438 3.784 -3.257 337 HG LEU 53 HG LEU 53 -4.474 1.596 -5.051 338 HD11 LEU 53 1HD1 LEU 53 -4.834 4.560 -5.506 339 HD12 LEU 53 2HD1 LEU 53 -6.117 3.377 -5.246 340 HD13 LEU 53 3HD1 LEU 53 -5.124 3.292 -6.700 341 HD21 LEU 53 3HD2 LEU 53 -2.069 2.056 -5.074 342 HD22 LEU 53 1HD2 LEU 53 -2.386 3.754 -5.426 343 HD23 LEU 53 2HD2 LEU 53 -2.811 2.513 -6.606 344 H ARG 54 H ARG 54 -1.507 3.085 -1.994 345 HA ARG 54 HA ARG 54 0.245 1.675 -3.721 346 HB2 ARG 54 2HB ARG 54 0.928 3.456 -1.370 347 HB3 ARG 54 1HB ARG 54 2.046 2.950 -2.632 348 HG2 ARG 54 2HG ARG 54 0.629 4.100 -4.302 349 HG3 ARG 54 1HG ARG 54 -0.402 4.674 -2.991 350 HD2 ARG 54 2HD ARG 54 1.598 5.803 -2.003 351 HD3 ARG 54 1HD ARG 54 2.514 5.333 -3.438 352 HE ARG 54 HE ARG 54 0.140 6.698 -4.157 353 HH11 ARG 54 1HH1 ARG 54 3.329 7.237 -2.970 354 HH12 ARG 54 2HH1 ARG 54 3.363 8.882 -3.495 355 HH21 ARG 54 1HH2 ARG 54 0.204 8.783 -4.859 356 HH22 ARG 54 2HH2 ARG 54 1.603 9.752 -4.565 357 H ALA 55 H ALA 55 -0.507 1.298 -0.291 358 HA ALA 55 HA ALA 55 1.503 -0.583 0.351 359 HB1 ALA 55 3HB ALA 55 0.083 -1.184 2.248 360 HB2 ALA 55 1HB ALA 55 -1.274 -0.322 1.519 361 HB3 ALA 55 2HB ALA 55 0.155 0.565 2.045 362 H ALA 56 H ALA 56 -1.901 -1.094 -0.629 363 HA ALA 56 HA ALA 56 -1.783 -3.890 -0.908 364 HB1 ALA 56 3HB ALA 56 -3.812 -3.685 -2.233 365 HB2 ALA 56 1HB ALA 56 -3.523 -1.958 -2.447 366 HB3 ALA 56 2HB ALA 56 -3.879 -2.599 -0.844 367 H ARG 57 H ARG 57 -0.964 -1.293 -3.147 368 HA ARG 57 HA ARG 57 -0.535 -2.791 -5.481 369 HB2 ARG 57 2HB ARG 57 -0.614 -0.258 -5.227 370 HB3 ARG 57 1HB ARG 57 1.037 -0.340 -4.635 371 HG2 ARG 57 2HG ARG 57 0.276 -1.452 -7.320 372 HG3 ARG 57 1HG ARG 57 0.641 0.256 -7.100 373 HD2 ARG 57 2HD ARG 57 2.875 -0.253 -6.371 374 HD3 ARG 57 1HD ARG 57 2.522 -1.981 -6.345 375 HE ARG 57 HE ARG 57 2.184 -1.721 -8.830 376 HH11 ARG 57 1HH1 ARG 57 4.294 0.382 -7.087 377 HH12 ARG 57 2HH1 ARG 57 5.315 0.649 -8.460 378 HH21 ARG 57 1HH2 ARG 57 3.496 -1.380 -10.555 379 HH22 ARG 57 2HH2 ARG 57 4.869 -0.337 -10.400 380 H CYS 58 H CYS 58 1.759 -1.832 -2.926 381 HA CYS 58 HA CYS 58 3.985 -3.232 -3.986 382 HB2 CYS 58 2HB CYS 58 4.282 -1.420 -2.384 383 HB3 CYS 58 1HB CYS 58 3.422 -2.338 -1.149 384 H ARG 59 H ARG 59 1.423 -4.170 -1.762 385 HA ARG 59 HA ARG 59 2.566 -6.486 -0.690 386 HB2 ARG 59 2HB ARG 59 0.471 -5.346 0.108 387 HB3 ARG 59 1HB ARG 59 -0.375 -6.058 -1.258 388 HG2 ARG 59 2HG ARG 59 -0.826 -7.419 0.634 389 HG3 ARG 59 1HG ARG 59 0.293 -8.317 -0.393 390 HD2 ARG 59 2HD ARG 59 0.995 -8.544 1.900 391 HD3 ARG 59 1HD ARG 59 2.165 -7.534 1.050 392 HE ARG 59 HE ARG 59 0.216 -5.903 2.277 393 HH11 ARG 59 1HH1 ARG 59 2.924 -7.881 3.102 394 HH12 ARG 59 2HH1 ARG 59 3.233 -7.016 4.568 395 HH21 ARG 59 1HH2 ARG 59 0.636 -4.820 4.148 396 HH22 ARG 59 2HH2 ARG 59 1.960 -5.315 5.155 397 H GLY 60 H GLY 60 0.196 -6.313 -3.395 398 HA2 GLY 60 2HA GLY 60 1.590 -8.386 -4.848 399 HA3 GLY 60 1HA GLY 60 0.093 -8.947 -4.128 400 H HIS 61 H HIS 61 0.304 -5.657 -5.281 401 HA HIS 61 HA HIS 61 -1.207 -6.420 -7.707 402 HB2 HIS 61 2HB HIS 61 -1.704 -4.124 -5.812 403 HB3 HIS 61 1HB HIS 61 -2.305 -4.098 -7.463 404 HD1 HIS 61 HD1 HIS 61 -4.526 -3.912 -5.680 405 HD2 HIS 61 HD2 HIS 61 -2.821 -7.625 -6.438 406 HE1 HIS 61 HE1 HIS 61 -6.297 -5.590 -5.125 407 HE2 HIS 61 HE2 HIS 61 -5.325 -7.796 -5.827 408 HA PRO 62 HA PRO 62 2.765 -4.282 -8.901 409 HB2 PRO 62 2HB PRO 62 2.321 -5.942 -11.332 410 HB3 PRO 62 1HB PRO 62 3.779 -5.740 -10.352 411 HG2 PRO 62 2HG PRO 62 2.355 -7.992 -10.222 412 HG3 PRO 62 1HG PRO 62 3.085 -7.295 -8.761 413 HD2 PRO 62 2HD PRO 62 0.232 -7.175 -9.700 414 HD3 PRO 62 1HD PRO 62 0.869 -7.442 -8.063 415 H ASP 63 H ASP 63 -0.047 -4.909 -11.024 416 HA ASP 63 HA ASP 63 0.651 -2.691 -12.765 417 HB2 ASP 63 2HB ASP 63 -1.800 -4.464 -12.831 418 HB3 ASP 63 1HB ASP 63 -1.228 -3.413 -14.122 419 H LEU 64 H LEU 64 -0.733 -2.666 -9.826 420 HA LEU 64 HA LEU 64 -3.096 -1.099 -10.299 421 HB2 LEU 64 2HB LEU 64 -2.940 -2.557 -8.366 422 HB3 LEU 64 1HB LEU 64 -1.541 -1.679 -7.776 423 HG LEU 64 HG LEU 64 -2.972 0.327 -7.446 424 HD11 LEU 64 1HD1 LEU 64 -4.671 -0.122 -9.128 425 HD12 LEU 64 2HD1 LEU 64 -5.416 0.086 -7.541 426 HD13 LEU 64 3HD1 LEU 64 -5.225 -1.531 -8.222 427 HD21 LEU 64 3HD2 LEU 64 -3.925 -2.179 -6.055 428 HD22 LEU 64 1HD2 LEU 64 -4.177 -0.529 -5.487 429 HD23 LEU 64 2HD2 LEU 64 -2.544 -1.186 -5.588 430 H SER 65 H SER 65 -3.207 1.040 -10.642 431 HA SER 65 HA SER 65 -1.311 2.820 -9.274 432 HB2 SER 65 2HB SER 65 -1.978 2.994 -12.231 433 HB3 SER 65 1HB SER 65 -1.083 4.217 -11.325 434 HG SER 65 HG SER 65 -0.010 1.765 -10.932 435 H VAL 66 H VAL 66 -2.146 4.961 -8.889 436 HA VAL 66 HA VAL 66 -5.026 5.006 -8.652 437 HB VAL 66 HB VAL 66 -3.635 5.884 -6.825 438 HG11 VAL 66 1HG1 VAL 66 -2.874 8.085 -8.750 439 HG12 VAL 66 2HG1 VAL 66 -1.800 6.828 -8.134 440 HG13 VAL 66 3HG1 VAL 66 -2.477 8.027 -7.031 441 HG21 VAL 66 3HG2 VAL 66 -5.923 6.695 -7.042 442 HG22 VAL 66 1HG2 VAL 66 -5.384 7.980 -8.125 443 HG23 VAL 66 2HG2 VAL 66 -4.873 7.976 -6.437 444 H MET 67 H MET 67 -6.414 5.840 -10.087 445 HA MET 67 HA MET 67 -5.463 7.382 -12.356 446 HB2 MET 67 2HB MET 67 -8.211 6.411 -11.548 447 HB3 MET 67 1HB MET 67 -7.928 7.391 -12.980 448 HG2 MET 67 2HG MET 67 -6.450 5.650 -13.865 449 HG3 MET 67 1HG MET 67 -6.765 4.668 -12.432 450 HE1 MET 67 3HE MET 67 -7.224 3.822 -15.570 451 HE2 MET 67 1HE MET 67 -8.712 2.887 -15.401 452 HE3 MET 67 2HE MET 67 -7.422 2.712 -14.213 453 H TYR 68 H TYR 68 -7.716 7.922 -9.657 454 HA TYR 68 HA TYR 68 -6.935 10.674 -9.422 455 HB2 TYR 68 2HB TYR 68 -9.355 11.501 -9.676 456 HB3 TYR 68 1HB TYR 68 -8.468 11.137 -11.151 457 HD1 TYR 68 HD1 TYR 68 -11.079 9.836 -8.839 458 HD2 TYR 68 HD2 TYR 68 -9.239 9.486 -12.669 459 HE1 TYR 68 HE1 TYR 68 -12.875 8.320 -9.561 460 HE2 TYR 68 HE2 TYR 68 -11.034 7.976 -13.397 461 HH TYR 68 HH TYR 68 -12.680 6.455 -12.387 462 H ARG 69 H ARG 69 -8.115 11.776 -7.636 463 HA ARG 69 HA ARG 69 -8.288 10.007 -5.371 464 HB2 ARG 69 2HB ARG 69 -8.802 12.988 -5.584 465 HB3 ARG 69 1HB ARG 69 -8.627 12.086 -4.083 466 HG2 ARG 69 2HG ARG 69 -6.341 11.725 -4.420 467 HG3 ARG 69 1HG ARG 69 -6.442 12.097 -6.142 468 HD2 ARG 69 2HD ARG 69 -6.787 14.066 -3.876 469 HD3 ARG 69 1HD ARG 69 -5.363 13.909 -4.904 470 HE ARG 69 HE ARG 69 -7.811 14.406 -6.341 471 HH11 ARG 69 1HH1 ARG 69 -5.090 15.858 -4.793 472 HH12 ARG 69 2HH1 ARG 69 -5.275 17.343 -5.657 473 HH21 ARG 69 1HH2 ARG 69 -8.042 16.321 -7.408 474 HH22 ARG 69 2HH2 ARG 69 -6.934 17.612 -7.094 475 H GLY 70 H GLY 70 -10.092 9.353 -4.262 476 HA2 GLY 70 2HA GLY 70 -12.416 9.503 -3.663 477 HA3 GLY 70 1HA GLY 70 -12.729 10.294 -5.201 478 H ARG 71 H ARG 71 -14.482 8.547 -5.043 479 HA ARG 71 HA ARG 71 -13.597 5.859 -5.715 480 HB2 ARG 71 2HB ARG 71 -16.023 5.319 -5.701 481 HB3 ARG 71 1HB ARG 71 -15.470 6.052 -4.203 482 HG2 ARG 71 2HG ARG 71 -16.374 8.227 -4.983 483 HG3 ARG 71 1HG ARG 71 -17.007 7.412 -6.413 484 HD2 ARG 71 2HD ARG 71 -18.414 6.005 -5.025 485 HD3 ARG 71 1HD ARG 71 -17.728 6.712 -3.564 486 HE ARG 71 HE ARG 71 -19.276 8.301 -5.510 487 HH11 ARG 71 1HH1 ARG 71 -18.592 7.328 -2.272 488 HH12 ARG 71 2HH1 ARG 71 -19.719 8.445 -1.586 489 HH21 ARG 71 1HH2 ARG 71 -20.744 9.703 -4.615 490 HH22 ARG 71 2HH2 ARG 71 -20.929 9.772 -2.897 491 H CYS 72 H CYS 72 -14.051 4.761 -7.661 492 HA CYS 72 HA CYS 72 -14.007 6.305 -10.043 493 HB2 CYS 72 2HB CYS 72 -14.358 3.363 -9.522 494 HB3 CYS 72 1HB CYS 72 -14.531 4.013 -11.149 495 H ARG 73 H ARG 73 -15.762 7.680 -9.852 496 HA ARG 73 HA ARG 73 -18.470 6.739 -9.745 497 HB2 ARG 73 2HB ARG 73 -19.018 9.148 -10.153 498 HB3 ARG 73 1HB ARG 73 -17.946 8.881 -8.783 499 HG2 ARG 73 2HG ARG 73 -16.019 9.445 -10.260 500 HG3 ARG 73 1HG ARG 73 -17.172 9.865 -11.525 501 HD2 ARG 73 2HD ARG 73 -18.124 11.603 -10.100 502 HD3 ARG 73 1HD ARG 73 -17.021 11.154 -8.796 503 HE ARG 73 HE ARG 73 -15.729 11.879 -11.276 504 HH11 ARG 73 1HH1 ARG 73 -16.927 13.040 -8.255 505 HH12 ARG 73 2HH1 ARG 73 -15.922 14.441 -8.284 506 HH21 ARG 73 1HH2 ARG 73 -14.443 13.662 -11.280 507 HH22 ARG 73 2HH2 ARG 73 -14.504 14.773 -9.955 508 H LYS 74 H LYS 74 -19.932 6.503 -11.358 509 HA LYS 74 HA LYS 74 -19.001 6.797 -14.144 510 HB2 LYS 74 2HB LYS 74 -19.628 4.502 -13.479 511 HB3 LYS 74 1HB LYS 74 -21.234 5.067 -13.037 512 HG2 LYS 74 2HG LYS 74 -21.653 5.693 -15.376 513 HG3 LYS 74 1HG LYS 74 -20.046 5.109 -15.812 514 HD2 LYS 74 2HD LYS 74 -22.289 3.440 -14.654 515 HD3 LYS 74 1HD LYS 74 -21.775 3.455 -16.344 516 HE2 LYS 74 2HE LYS 74 -19.559 2.637 -15.666 517 HE3 LYS 74 1HE LYS 74 -20.088 2.608 -13.984 518 HZ1 LYS 74 3HZ LYS 74 -21.785 0.984 -14.605 519 HZ2 LYS 74 1HZ LYS 74 -20.226 0.423 -14.953 520 HZ3 LYS 74 2HZ LYS 74 -21.221 0.990 -16.195 Start of MODEL 9 1 H1 SER 1 1H SER 1 6.582 -2.564 20.687 2 H2 SER 1 2H SER 1 5.405 -1.422 20.266 3 H3 SER 1 3H SER 1 6.069 -1.414 21.818 4 HA SER 1 HA SER 1 6.983 0.366 20.483 5 HB2 SER 1 2HB SER 1 8.389 -0.604 22.233 6 HB3 SER 1 1HB SER 1 8.952 -1.851 21.117 7 HG SER 1 HG SER 1 9.891 0.645 21.479 8 H ASP 2 H ASP 2 8.729 0.862 18.822 9 HA ASP 2 HA ASP 2 8.781 -1.032 16.595 10 HB2 ASP 2 2HB ASP 2 8.193 0.909 15.013 11 HB3 ASP 2 1HB ASP 2 6.884 0.155 15.914 12 H SER 3 H SER 3 10.894 -1.344 16.527 13 HA SER 3 HA SER 3 12.582 0.703 15.391 14 HB2 SER 3 2HB SER 3 13.231 -0.497 18.105 15 HB3 SER 3 1HB SER 3 14.438 0.283 17.084 16 HG SER 3 HG SER 3 12.045 1.573 17.894 17 H CYS 4 H CYS 4 14.795 -0.320 14.797 18 HA CYS 4 HA CYS 4 14.480 -3.230 14.375 19 HB2 CYS 4 2HB CYS 4 15.400 -1.373 12.178 20 HB3 CYS 4 1HB CYS 4 14.891 -3.058 12.046 21 H ASP 5 H ASP 5 16.283 -4.351 14.849 22 HA ASP 5 HA ASP 5 18.754 -2.934 15.409 23 HB2 ASP 5 2HB ASP 5 17.901 -4.675 16.950 24 HB3 ASP 5 1HB ASP 5 18.085 -5.879 15.677 25 H GLY 6 H GLY 6 20.092 -2.492 13.752 26 HA2 GLY 6 2HA GLY 6 21.340 -2.706 11.827 27 HA3 GLY 6 1HA GLY 6 21.600 -4.343 12.397 28 H VAL 7 H VAL 7 18.445 -3.131 11.372 29 HA VAL 7 HA VAL 7 18.509 -5.074 9.152 30 HB VAL 7 HB VAL 7 16.114 -3.919 10.608 31 HG11 VAL 7 1HG1 VAL 7 16.212 -5.971 8.389 32 HG12 VAL 7 2HG1 VAL 7 15.598 -4.324 8.250 33 HG13 VAL 7 3HG1 VAL 7 14.771 -5.487 9.284 34 HG21 VAL 7 3HG2 VAL 7 17.312 -5.553 11.954 35 HG22 VAL 7 1HG2 VAL 7 17.298 -6.700 10.613 36 HG23 VAL 7 2HG2 VAL 7 15.786 -6.236 11.393 37 H GLU 8 H GLU 8 18.641 -4.291 7.147 38 HA GLU 8 HA GLU 8 17.933 -1.508 6.584 39 HB2 GLU 8 2HB GLU 8 19.210 -3.642 4.855 40 HB3 GLU 8 1HB GLU 8 18.917 -1.986 4.342 41 HG2 GLU 8 2HG GLU 8 20.708 -2.828 6.618 42 HG3 GLU 8 1HG GLU 8 21.240 -2.355 5.005 43 H CYS 9 H CYS 9 15.796 -1.185 6.264 44 HA CYS 9 HA CYS 9 14.490 -2.603 4.073 45 HB2 CYS 9 2HB CYS 9 13.353 -2.578 6.883 46 HB3 CYS 9 1HB CYS 9 12.418 -3.003 5.452 47 H GLY 10 H GLY 10 13.011 -1.348 2.960 48 HA2 GLY 10 2HA GLY 10 12.365 1.305 4.099 49 HA3 GLY 10 1HA GLY 10 13.100 1.186 2.511 50 HA PRO 11 HA PRO 11 8.684 1.912 1.649 51 HB2 PRO 11 2HB PRO 11 9.776 1.857 -1.131 52 HB3 PRO 11 1HB PRO 11 8.707 3.038 -0.362 53 HG2 PRO 11 2HG PRO 11 11.267 3.614 -0.747 54 HG3 PRO 11 1HG PRO 11 10.465 4.085 0.764 55 HD2 PRO 11 2HD PRO 11 12.352 1.812 0.244 56 HD3 PRO 11 1HD PRO 11 12.244 2.890 1.653 57 H GLY 12 H GLY 12 10.613 -0.749 0.567 58 HA2 GLY 12 2HA GLY 12 8.339 -2.122 -0.660 59 HA3 GLY 12 1HA GLY 12 9.992 -2.705 -0.593 60 H LYS 13 H LYS 13 10.170 -2.179 2.330 61 HA LYS 13 HA LYS 13 8.259 -4.045 3.498 62 HB2 LYS 13 2HB LYS 13 11.235 -4.600 3.441 63 HB3 LYS 13 1HB LYS 13 10.103 -5.434 4.495 64 HG2 LYS 13 2HG LYS 13 8.925 -6.310 2.531 65 HG3 LYS 13 1HG LYS 13 10.071 -5.480 1.477 66 HD2 LYS 13 2HD LYS 13 10.735 -7.659 3.470 67 HD3 LYS 13 1HD LYS 13 10.651 -7.843 1.717 68 HE2 LYS 13 2HE LYS 13 12.493 -6.230 1.475 69 HE3 LYS 13 1HE LYS 13 12.590 -6.082 3.229 70 HZ1 LYS 13 3HZ LYS 13 13.114 -8.456 3.337 71 HZ2 LYS 13 1HZ LYS 13 14.250 -7.602 2.421 72 HZ3 LYS 13 2HZ LYS 13 13.083 -8.549 1.650 73 H ALA 14 H ALA 14 7.862 -3.610 5.612 74 HA ALA 14 HA ALA 14 9.543 -1.561 6.923 75 HB1 ALA 14 3HB ALA 14 7.576 -1.047 8.300 76 HB2 ALA 14 1HB ALA 14 6.662 -2.306 7.468 77 HB3 ALA 14 2HB ALA 14 7.216 -0.886 6.580 78 H CYS 15 H CYS 15 10.497 -1.991 8.866 79 HA CYS 15 HA CYS 15 10.253 -4.738 9.862 80 HB2 CYS 15 2HB CYS 15 12.387 -4.169 11.112 81 HB3 CYS 15 1HB CYS 15 12.506 -4.218 9.357 82 H ARG 16 H ARG 16 9.165 -5.168 11.646 83 HA ARG 16 HA ARG 16 8.688 -3.004 13.605 84 HB2 ARG 16 2HB ARG 16 6.671 -3.644 12.297 85 HB3 ARG 16 1HB ARG 16 6.843 -5.295 12.873 86 HG2 ARG 16 2HG ARG 16 5.135 -4.203 14.146 87 HG3 ARG 16 1HG ARG 16 6.527 -4.480 15.194 88 HD2 ARG 16 2HD ARG 16 7.230 -2.125 14.782 89 HD3 ARG 16 1HD ARG 16 5.740 -1.881 13.870 90 HE ARG 16 HE ARG 16 5.769 -2.613 16.731 91 HH11 ARG 16 1HH1 ARG 16 4.522 -0.754 14.115 92 HH12 ARG 16 2HH1 ARG 16 3.367 0.062 15.104 93 HH21 ARG 16 1HH2 ARG 16 4.295 -1.540 17.989 94 HH22 ARG 16 2HH2 ARG 16 3.252 -0.361 17.268 95 H MET 17 H MET 17 8.391 -3.690 15.845 96 HA MET 17 HA MET 17 10.199 -5.789 16.649 97 HB2 MET 17 2HB MET 17 8.395 -3.968 18.261 98 HB3 MET 17 1HB MET 17 9.551 -5.089 18.961 99 HG2 MET 17 2HG MET 17 10.516 -3.041 17.019 100 HG3 MET 17 1HG MET 17 10.125 -2.554 18.665 101 HE1 MET 17 3HE MET 17 11.854 -5.849 17.171 102 HE2 MET 17 1HE MET 17 13.539 -5.421 17.462 103 HE3 MET 17 2HE MET 17 12.569 -4.470 16.333 104 H LEU 18 H LEU 18 9.389 -7.823 16.214 105 HA LEU 18 HA LEU 18 6.870 -8.541 17.582 106 HB2 LEU 18 2HB LEU 18 8.311 -9.932 15.315 107 HB3 LEU 18 1HB LEU 18 6.982 -10.654 16.201 108 HG LEU 18 HG LEU 18 5.615 -8.593 15.486 109 HD11 LEU 18 1HD1 LEU 18 7.845 -8.387 13.469 110 HD12 LEU 18 2HD1 LEU 18 7.468 -7.212 14.730 111 HD13 LEU 18 3HD1 LEU 18 6.316 -7.506 13.430 112 HD21 LEU 18 3HD2 LEU 18 5.219 -10.824 14.609 113 HD22 LEU 18 1HD2 LEU 18 6.494 -10.600 13.410 114 HD23 LEU 18 2HD2 LEU 18 5.034 -9.612 13.344 115 H GLY 19 H GLY 19 7.154 -9.448 19.520 116 HA2 GLY 19 2HA GLY 19 8.141 -10.543 21.290 117 HA3 GLY 19 1HA GLY 19 8.956 -11.545 20.098 118 H GLY 20 H GLY 20 9.303 -8.065 20.257 119 HA2 GLY 20 2HA GLY 20 11.081 -6.717 20.849 120 HA3 GLY 20 1HA GLY 20 11.801 -8.086 21.678 121 H ARG 21 H ARG 21 11.160 -9.128 18.599 122 HA ARG 21 HA ARG 21 13.877 -8.407 17.696 123 HB2 ARG 21 2HB ARG 21 12.343 -10.942 17.076 124 HB3 ARG 21 1HB ARG 21 13.982 -10.566 16.554 125 HG2 ARG 21 2HG ARG 21 14.612 -10.418 18.990 126 HG3 ARG 21 1HG ARG 21 13.018 -11.071 19.366 127 HD2 ARG 21 2HD ARG 21 14.657 -12.853 19.368 128 HD3 ARG 21 1HD ARG 21 13.551 -13.069 18.011 129 HE ARG 21 HE ARG 21 15.292 -12.699 16.559 130 HH11 ARG 21 1HH1 ARG 21 16.303 -11.862 19.750 131 HH12 ARG 21 2HH1 ARG 21 17.969 -11.731 19.309 132 HH21 ARG 21 1HH2 ARG 21 17.440 -12.549 16.010 133 HH22 ARG 21 2HH2 ARG 21 18.608 -12.136 17.215 134 HA PRO 22 HA PRO 22 11.943 -6.379 14.322 135 HB2 PRO 22 2HB PRO 22 14.069 -5.951 12.721 136 HB3 PRO 22 1HB PRO 22 13.901 -5.161 14.293 137 HG2 PRO 22 2HG PRO 22 15.540 -7.554 13.542 138 HG3 PRO 22 1HG PRO 22 15.973 -6.180 14.577 139 HD2 PRO 22 2HD PRO 22 15.147 -8.618 15.539 140 HD3 PRO 22 1HD PRO 22 14.949 -7.090 16.419 141 H ARG 23 H ARG 23 10.609 -7.198 12.858 142 HA ARG 23 HA ARG 23 11.628 -9.124 10.850 143 HB2 ARG 23 2HB ARG 23 8.988 -8.926 12.255 144 HB3 ARG 23 1HB ARG 23 9.030 -9.569 10.622 145 HG2 ARG 23 2HG ARG 23 10.511 -11.349 11.313 146 HG3 ARG 23 1HG ARG 23 10.613 -10.671 12.941 147 HD2 ARG 23 2HD ARG 23 8.969 -12.643 12.459 148 HD3 ARG 23 1HD ARG 23 8.456 -11.307 13.486 149 HE ARG 23 HE ARG 23 7.257 -10.416 11.546 150 HH11 ARG 23 1HH1 ARG 23 8.247 -13.717 11.322 151 HH12 ARG 23 2HH1 ARG 23 6.927 -14.137 10.281 152 HH21 ARG 23 1HH2 ARG 23 5.611 -10.963 10.213 153 HH22 ARG 23 2HH2 ARG 23 5.456 -12.596 9.655 154 H CYS 24 H CYS 24 11.444 -8.565 8.716 155 HA CYS 24 HA CYS 24 10.095 -6.009 8.106 156 HB2 CYS 24 2HB CYS 24 12.254 -7.527 6.640 157 HB3 CYS 24 1HB CYS 24 11.391 -6.169 5.923 158 H GLU 25 H GLU 25 8.195 -6.077 7.160 159 HA GLU 25 HA GLU 25 7.476 -8.422 5.508 160 HB2 GLU 25 2HB GLU 25 5.716 -6.855 7.415 161 HB3 GLU 25 1HB GLU 25 5.159 -8.154 6.364 162 HG2 GLU 25 2HG GLU 25 6.531 -9.759 7.528 163 HG3 GLU 25 1HG GLU 25 7.271 -8.485 8.493 164 H CYS 26 H CYS 26 5.744 -7.986 3.894 165 HA CYS 26 HA CYS 26 6.486 -5.986 2.128 166 HB2 CYS 26 2HB CYS 26 5.155 -7.963 1.477 167 HB3 CYS 26 1HB CYS 26 3.754 -7.279 2.296 168 H ALA 27 H ALA 27 6.466 -3.862 2.510 169 HA ALA 27 HA ALA 27 4.364 -2.687 4.175 170 HB1 ALA 27 3HB ALA 27 5.829 -0.742 4.327 171 HB2 ALA 27 1HB ALA 27 6.955 -1.493 3.195 172 HB3 ALA 27 2HB ALA 27 6.679 -2.219 4.779 173 HA PRO 28 HA PRO 28 2.531 -0.829 0.475 174 HB2 PRO 28 2HB PRO 28 0.391 0.240 1.727 175 HB3 PRO 28 1HB PRO 28 0.498 -1.488 1.371 176 HG2 PRO 28 2HG PRO 28 1.054 -0.050 3.946 177 HG3 PRO 28 1HG PRO 28 0.136 -1.546 3.677 178 HD2 PRO 28 2HD PRO 28 2.724 -1.531 4.524 179 HD3 PRO 28 1HD PRO 28 2.043 -2.838 3.534 180 H ASP 29 H ASP 29 3.637 0.579 3.407 181 HA ASP 29 HA ASP 29 4.352 2.602 4.074 182 HB2 ASP 29 2HB ASP 29 5.752 2.528 2.060 183 HB3 ASP 29 1HB ASP 29 4.451 3.258 1.119 184 H CYS 30 H CYS 30 2.657 3.332 5.198 185 HA CYS 30 HA CYS 30 0.847 5.247 3.847 186 HB2 CYS 30 2HB CYS 30 0.232 3.646 6.348 187 HB3 CYS 30 1HB CYS 30 -0.881 4.662 5.431 188 H SER 31 H SER 31 3.494 5.658 5.009 189 HA SER 31 HA SER 31 3.423 6.537 7.686 190 HB2 SER 31 2HB SER 31 5.403 7.293 5.522 191 HB3 SER 31 1HB SER 31 5.660 7.419 7.261 192 HG SER 31 HG SER 31 5.717 5.190 5.601 193 H GLY 32 H GLY 32 1.964 8.129 8.204 194 HA2 GLY 32 2HA GLY 32 1.744 10.365 8.815 195 HA3 GLY 32 1HA GLY 32 2.916 10.801 7.591 196 H LEU 33 H LEU 33 0.573 8.947 6.075 197 HA LEU 33 HA LEU 33 -0.629 11.351 4.957 198 HB2 LEU 33 2HB LEU 33 -1.715 9.803 3.340 199 HB3 LEU 33 1HB LEU 33 0.033 9.736 3.348 200 HG LEU 33 HG LEU 33 -0.210 7.643 4.820 201 HD11 LEU 33 1HD1 LEU 33 -2.547 7.898 5.450 202 HD12 LEU 33 2HD1 LEU 33 -2.296 6.393 4.571 203 HD13 LEU 33 3HD1 LEU 33 -3.032 7.774 3.759 204 HD21 LEU 33 3HD2 LEU 33 -1.173 7.587 1.958 205 HD22 LEU 33 1HD2 LEU 33 -0.560 6.201 2.863 206 HD23 LEU 33 2HD2 LEU 33 0.506 7.556 2.498 207 HA PRO 34 HA PRO 34 -4.427 11.297 7.234 208 HB2 PRO 34 2HB PRO 34 -6.237 12.079 5.335 209 HB3 PRO 34 1HB PRO 34 -5.101 13.187 6.106 210 HG2 PRO 34 2HG PRO 34 -4.898 11.827 3.441 211 HG3 PRO 34 1HG PRO 34 -4.532 13.509 3.868 212 HD2 PRO 34 2HD PRO 34 -2.591 11.663 3.580 213 HD3 PRO 34 1HD PRO 34 -2.474 12.958 4.789 214 H ALA 35 H ALA 35 -5.391 9.451 7.876 215 HA ALA 35 HA ALA 35 -6.108 7.384 5.949 216 HB1 ALA 35 3HB ALA 35 -6.297 7.369 8.967 217 HB2 ALA 35 1HB ALA 35 -4.955 6.735 8.013 218 HB3 ALA 35 2HB ALA 35 -6.546 5.980 7.907 219 H ARG 36 H ARG 36 -7.800 8.647 4.936 220 HA ARG 36 HA ARG 36 -10.429 8.110 5.744 221 HB2 ARG 36 2HB ARG 36 -11.211 10.315 6.507 222 HB3 ARG 36 1HB ARG 36 -9.984 9.676 7.594 223 HG2 ARG 36 2HG ARG 36 -8.297 11.102 6.524 224 HG3 ARG 36 1HG ARG 36 -9.534 11.749 5.447 225 HD2 ARG 36 2HD ARG 36 -10.759 12.595 7.422 226 HD3 ARG 36 1HD ARG 36 -9.449 12.013 8.453 227 HE ARG 36 HE ARG 36 -8.518 13.751 6.386 228 HH11 ARG 36 1HH1 ARG 36 -9.968 13.692 9.500 229 HH12 ARG 36 2HH1 ARG 36 -9.365 15.251 9.931 230 HH21 ARG 36 1HH2 ARG 36 -7.764 15.753 6.932 231 HH22 ARG 36 2HH2 ARG 36 -8.152 16.418 8.482 232 H LEU 37 H LEU 37 -8.449 8.682 3.412 233 HA LEU 37 HA LEU 37 -10.200 10.477 1.850 234 HB2 LEU 37 2HB LEU 37 -8.082 11.543 2.423 235 HB3 LEU 37 1HB LEU 37 -7.194 10.206 1.725 236 HG LEU 37 HG LEU 37 -8.041 10.790 -0.511 237 HD11 LEU 37 1HD1 LEU 37 -10.197 11.730 0.129 238 HD12 LEU 37 2HD1 LEU 37 -9.287 12.874 -0.856 239 HD13 LEU 37 3HD1 LEU 37 -9.393 13.100 0.891 240 HD21 LEU 37 3HD2 LEU 37 -5.942 11.765 0.251 241 HD22 LEU 37 1HD2 LEU 37 -6.812 13.121 0.967 242 HD23 LEU 37 2HD2 LEU 37 -6.817 12.894 -0.782 243 H GLN 38 H GLN 38 -11.337 9.207 0.528 244 HA GLN 38 HA GLN 38 -10.569 6.661 -0.403 245 HB2 GLN 38 2HB GLN 38 -12.635 8.528 -1.587 246 HB3 GLN 38 1HB GLN 38 -12.535 6.793 -1.856 247 HG2 GLN 38 2HG GLN 38 -13.006 6.391 0.505 248 HG3 GLN 38 1HG GLN 38 -13.077 8.127 0.793 249 HE21 GLN 38 1HE2 GLN 38 -14.848 9.298 0.005 250 HE22 GLN 38 2HE2 GLN 38 -16.315 8.519 -0.471 251 H VAL 39 H VAL 39 -9.836 5.930 -2.388 252 HA VAL 39 HA VAL 39 -9.067 7.883 -4.444 253 HB VAL 39 HB VAL 39 -6.836 6.809 -4.716 254 HG11 VAL 39 1HG1 VAL 39 -7.298 8.002 -1.976 255 HG12 VAL 39 2HG1 VAL 39 -7.028 8.905 -3.466 256 HG13 VAL 39 3HG1 VAL 39 -5.746 7.891 -2.807 257 HG21 VAL 39 3HG2 VAL 39 -7.535 5.422 -2.123 258 HG22 VAL 39 1HG2 VAL 39 -5.943 5.417 -2.886 259 HG23 VAL 39 2HG2 VAL 39 -7.312 4.656 -3.694 260 H CYS 40 H CYS 40 -9.096 7.077 -6.537 261 HA CYS 40 HA CYS 40 -10.151 4.340 -6.833 262 HB2 CYS 40 2HB CYS 40 -11.178 6.617 -7.865 263 HB3 CYS 40 1HB CYS 40 -10.105 6.168 -9.186 264 H GLY 41 H GLY 41 -8.913 2.776 -7.698 265 HA2 GLY 41 2HA GLY 41 -6.152 3.291 -8.241 266 HA3 GLY 41 1HA GLY 41 -6.963 1.738 -8.348 267 H SER 42 H SER 42 -5.035 2.316 -10.152 268 HA SER 42 HA SER 42 -5.890 3.513 -12.564 269 HB2 SER 42 2HB SER 42 -3.521 3.084 -12.045 270 HB3 SER 42 1HB SER 42 -3.809 1.349 -12.156 271 HG SER 42 HG SER 42 -4.680 2.158 -14.405 272 H ASP 43 H ASP 43 -7.010 0.693 -11.143 273 HA ASP 43 HA ASP 43 -7.648 -0.671 -13.653 274 HB2 ASP 43 2HB ASP 43 -8.470 -2.474 -12.234 275 HB3 ASP 43 1HB ASP 43 -6.874 -1.970 -11.674 276 H GLY 44 H GLY 44 -9.198 1.255 -11.154 277 HA2 GLY 44 2HA GLY 44 -11.207 2.494 -12.025 278 HA3 GLY 44 1HA GLY 44 -11.807 0.925 -12.529 279 H ALA 45 H ALA 45 -10.451 0.062 -9.766 280 HA ALA 45 HA ALA 45 -12.932 0.164 -8.287 281 HB1 ALA 45 3HB ALA 45 -11.778 -1.209 -6.633 282 HB2 ALA 45 1HB ALA 45 -10.246 -0.952 -7.470 283 HB3 ALA 45 2HB ALA 45 -11.544 -1.849 -8.260 284 H THR 46 H THR 46 -13.466 1.436 -6.584 285 HA THR 46 HA THR 46 -11.579 3.561 -5.816 286 HB THR 46 HB THR 46 -14.535 3.338 -5.172 287 HG1 THR 46 HG1 THR 46 -13.377 3.929 -7.478 288 HG21 THR 46 3HG2 THR 46 -12.609 5.661 -4.899 289 HG22 THR 46 1HG2 THR 46 -13.310 4.738 -3.570 290 HG23 THR 46 2HG2 THR 46 -14.345 5.731 -4.597 291 H TYR 47 H TYR 47 -10.304 3.013 -4.157 292 HA TYR 47 HA TYR 47 -11.202 1.206 -2.075 293 HB2 TYR 47 2HB TYR 47 -8.563 2.564 -2.629 294 HB3 TYR 47 1HB TYR 47 -8.844 1.599 -1.182 295 HD1 TYR 47 HD1 TYR 47 -9.117 -0.808 -1.320 296 HD2 TYR 47 HD2 TYR 47 -8.399 1.493 -4.830 297 HE1 TYR 47 HE1 TYR 47 -8.585 -2.864 -2.549 298 HE2 TYR 47 HE2 TYR 47 -7.861 -0.562 -6.068 299 HH TYR 47 HH TYR 47 -7.205 -2.798 -5.730 300 H ARG 48 H ARG 48 -11.187 1.685 0.166 301 HA ARG 48 HA ARG 48 -12.598 3.990 0.857 302 HB2 ARG 48 2HB ARG 48 -10.976 2.206 2.685 303 HB3 ARG 48 1HB ARG 48 -12.221 3.333 3.202 304 HG2 ARG 48 2HG ARG 48 -12.614 0.863 1.520 305 HG3 ARG 48 1HG ARG 48 -13.088 1.088 3.203 306 HD2 ARG 48 2HD ARG 48 -14.554 2.999 2.391 307 HD3 ARG 48 1HD ARG 48 -14.232 2.420 0.753 308 HE ARG 48 HE ARG 48 -15.207 0.389 2.538 309 HH11 ARG 48 1HH1 ARG 48 -16.092 2.805 0.242 310 HH12 ARG 48 2HH1 ARG 48 -17.691 2.180 0.052 311 HH21 ARG 48 1HH2 ARG 48 -17.263 -0.389 2.278 312 HH22 ARG 48 2HH2 ARG 48 -18.335 0.386 1.168 313 H ASP 49 H ASP 49 -9.130 3.468 0.803 314 HA ASP 49 HA ASP 49 -8.649 6.273 1.339 315 HB2 ASP 49 2HB ASP 49 -8.806 5.347 3.606 316 HB3 ASP 49 1HB ASP 49 -7.585 4.141 3.216 317 H GLU 50 H GLU 50 -6.379 6.901 0.992 318 HA GLU 50 HA GLU 50 -5.215 5.687 -1.254 319 HB2 GLU 50 2HB GLU 50 -4.795 8.033 -0.601 320 HB3 GLU 50 1HB GLU 50 -3.850 7.476 0.775 321 HG2 GLU 50 2HG GLU 50 -2.203 6.489 -0.693 322 HG3 GLU 50 1HG GLU 50 -3.179 6.883 -2.107 323 H CYS 51 H CYS 51 -4.373 5.392 2.190 324 HA CYS 51 HA CYS 51 -2.170 3.671 1.963 325 HB2 CYS 51 2HB CYS 51 -2.733 4.657 4.096 326 HB3 CYS 51 1HB CYS 51 -4.293 3.842 4.116 327 H GLU 52 H GLU 52 -5.623 2.992 1.844 328 HA GLU 52 HA GLU 52 -5.475 0.172 1.953 329 HB2 GLU 52 2HB GLU 52 -7.547 1.472 2.334 330 HB3 GLU 52 1HB GLU 52 -7.572 1.917 0.635 331 HG2 GLU 52 2HG GLU 52 -9.138 0.123 1.093 332 HG3 GLU 52 1HG GLU 52 -7.857 -0.419 0.009 333 H LEU 53 H LEU 53 -5.472 2.444 -0.789 334 HA LEU 53 HA LEU 53 -5.335 0.492 -2.841 335 HB2 LEU 53 2HB LEU 53 -5.915 2.900 -3.163 336 HB3 LEU 53 1HB LEU 53 -4.239 3.316 -2.875 337 HG LEU 53 HG LEU 53 -4.978 1.454 -5.129 338 HD11 LEU 53 1HD1 LEU 53 -4.926 4.470 -5.269 339 HD12 LEU 53 2HD1 LEU 53 -6.367 3.460 -5.383 340 HD13 LEU 53 3HD1 LEU 53 -5.124 3.365 -6.631 341 HD21 LEU 53 3HD2 LEU 53 -2.606 1.636 -4.569 342 HD22 LEU 53 1HD2 LEU 53 -2.691 3.391 -4.714 343 HD23 LEU 53 2HD2 LEU 53 -2.930 2.374 -6.136 344 H ARG 54 H ARG 54 -2.825 2.245 -1.042 345 HA ARG 54 HA ARG 54 -0.527 1.250 -2.249 346 HB2 ARG 54 2HB ARG 54 -1.008 1.822 0.689 347 HB3 ARG 54 1HB ARG 54 0.575 1.637 -0.051 348 HG2 ARG 54 2HG ARG 54 -1.413 3.775 -0.813 349 HG3 ARG 54 1HG ARG 54 -0.107 3.996 0.352 350 HD2 ARG 54 2HD ARG 54 0.223 3.263 -2.560 351 HD3 ARG 54 1HD ARG 54 0.494 4.859 -1.859 352 HE ARG 54 HE ARG 54 2.078 2.497 -1.076 353 HH11 ARG 54 1HH1 ARG 54 1.860 5.824 -1.945 354 HH12 ARG 54 2HH1 ARG 54 3.564 6.073 -1.815 355 HH21 ARG 54 1HH2 ARG 54 4.243 2.831 -0.900 356 HH22 ARG 54 2HH2 ARG 54 4.904 4.394 -1.230 357 H ALA 55 H ALA 55 -2.338 -0.127 0.500 358 HA ALA 55 HA ALA 55 -0.850 -2.491 0.785 359 HB1 ALA 55 3HB ALA 55 -2.410 -1.700 2.488 360 HB2 ALA 55 1HB ALA 55 -2.789 -3.356 2.012 361 HB3 ALA 55 2HB ALA 55 -3.769 -2.018 1.408 362 H ALA 56 H ALA 56 -3.723 -1.780 -1.165 363 HA ALA 56 HA ALA 56 -4.274 -4.312 -2.165 364 HB1 ALA 56 3HB ALA 56 -4.591 -1.672 -3.588 365 HB2 ALA 56 1HB ALA 56 -5.747 -2.387 -2.465 366 HB3 ALA 56 2HB ALA 56 -5.405 -3.181 -4.004 367 H ARG 57 H ARG 57 -1.894 -1.937 -3.305 368 HA ARG 57 HA ARG 57 -1.109 -3.241 -5.662 369 HB2 ARG 57 2HB ARG 57 -0.414 -0.934 -5.010 370 HB3 ARG 57 1HB ARG 57 0.673 -1.629 -3.812 371 HG2 ARG 57 2HG ARG 57 1.876 -2.800 -5.633 372 HG3 ARG 57 1HG ARG 57 0.829 -1.999 -6.805 373 HD2 ARG 57 2HD ARG 57 1.650 0.186 -6.013 374 HD3 ARG 57 1HD ARG 57 2.719 -0.638 -4.875 375 HE ARG 57 HE ARG 57 3.033 -0.447 -7.759 376 HH11 ARG 57 1HH1 ARG 57 4.128 -1.820 -4.796 377 HH12 ARG 57 2HH1 ARG 57 5.637 -2.332 -5.464 378 HH21 ARG 57 1HH2 ARG 57 4.954 -1.099 -8.603 379 HH22 ARG 57 2HH2 ARG 57 6.099 -1.936 -7.609 380 H CYS 58 H CYS 58 -0.050 -3.705 -2.314 381 HA CYS 58 HA CYS 58 1.792 -5.844 -2.998 382 HB2 CYS 58 2HB CYS 58 2.348 -4.500 -1.079 383 HB3 CYS 58 1HB CYS 58 0.771 -4.788 -0.352 384 H ARG 59 H ARG 59 -1.544 -5.569 -2.485 385 HA ARG 59 HA ARG 59 -1.892 -8.332 -1.583 386 HB2 ARG 59 2HB ARG 59 -3.091 -6.474 -0.443 387 HB3 ARG 59 1HB ARG 59 -3.929 -6.115 -1.943 388 HG2 ARG 59 2HG ARG 59 -5.061 -8.253 -1.871 389 HG3 ARG 59 1HG ARG 59 -4.142 -8.724 -0.439 390 HD2 ARG 59 2HD ARG 59 -6.417 -7.960 0.124 391 HD3 ARG 59 1HD ARG 59 -5.172 -6.945 0.850 392 HE ARG 59 HE ARG 59 -6.511 -6.130 -1.647 393 HH11 ARG 59 1HH1 ARG 59 -5.704 -5.513 1.654 394 HH12 ARG 59 2HH1 ARG 59 -6.299 -3.887 1.600 395 HH21 ARG 59 1HH2 ARG 59 -7.283 -4.045 -1.672 396 HH22 ARG 59 2HH2 ARG 59 -7.173 -3.075 -0.237 397 H GLY 60 H GLY 60 -0.906 -8.266 -4.159 398 HA2 GLY 60 2HA GLY 60 -1.448 -9.885 -5.808 399 HA3 GLY 60 1HA GLY 60 -3.150 -9.602 -5.509 400 H HIS 61 H HIS 61 -1.744 -6.586 -5.816 401 HA HIS 61 HA HIS 61 -2.078 -6.589 -8.756 402 HB2 HIS 61 2HB HIS 61 -3.136 -4.547 -6.796 403 HB3 HIS 61 1HB HIS 61 -3.018 -4.251 -8.524 404 HD1 HIS 61 HD1 HIS 61 -4.004 -7.562 -8.657 405 HD2 HIS 61 HD2 HIS 61 -5.964 -4.120 -7.407 406 HE1 HIS 61 HE1 HIS 61 -6.448 -8.088 -8.817 407 HE2 HIS 61 HE2 HIS 61 -7.602 -5.928 -8.256 408 HA PRO 62 HA PRO 62 2.117 -4.824 -7.692 409 HB2 PRO 62 2HB PRO 62 2.835 -6.204 -10.209 410 HB3 PRO 62 1HB PRO 62 3.605 -6.290 -8.623 411 HG2 PRO 62 2HG PRO 62 2.176 -8.340 -9.594 412 HG3 PRO 62 1HG PRO 62 2.163 -7.943 -7.865 413 HD2 PRO 62 2HD PRO 62 0.118 -7.316 -9.974 414 HD3 PRO 62 1HD PRO 62 -0.122 -7.881 -8.306 415 H ASP 63 H ASP 63 0.100 -4.791 -10.536 416 HA ASP 63 HA ASP 63 1.600 -2.613 -11.788 417 HB2 ASP 63 2HB ASP 63 -0.919 -4.022 -12.718 418 HB3 ASP 63 1HB ASP 63 0.062 -2.908 -13.670 419 H LEU 64 H LEU 64 -0.489 -2.664 -9.322 420 HA LEU 64 HA LEU 64 -2.455 -0.751 -10.207 421 HB2 LEU 64 2HB LEU 64 -3.029 -2.473 -8.569 422 HB3 LEU 64 1HB LEU 64 -1.855 -1.812 -7.446 423 HG LEU 64 HG LEU 64 -3.171 0.283 -7.316 424 HD11 LEU 64 1HD1 LEU 64 -4.219 0.244 -9.506 425 HD12 LEU 64 2HD1 LEU 64 -5.446 0.342 -8.245 426 HD13 LEU 64 3HD1 LEU 64 -5.147 -1.190 -9.066 427 HD21 LEU 64 3HD2 LEU 64 -3.532 -1.468 -5.664 428 HD22 LEU 64 1HD2 LEU 64 -4.746 -2.219 -6.702 429 HD23 LEU 64 2HD2 LEU 64 -5.037 -0.620 -6.016 430 H SER 65 H SER 65 -2.263 1.362 -10.214 431 HA SER 65 HA SER 65 -0.597 2.702 -8.199 432 HB2 SER 65 2HB SER 65 0.246 4.286 -9.880 433 HB3 SER 65 1HB SER 65 0.705 2.639 -10.300 434 HG SER 65 HG SER 65 -0.075 3.686 -12.128 435 H VAL 66 H VAL 66 -1.157 5.063 -8.016 436 HA VAL 66 HA VAL 66 -4.070 5.387 -8.304 437 HB VAL 66 HB VAL 66 -3.271 5.590 -6.017 438 HG11 VAL 66 1HG1 VAL 66 -1.770 7.380 -5.307 439 HG12 VAL 66 2HG1 VAL 66 -1.552 7.873 -6.986 440 HG13 VAL 66 3HG1 VAL 66 -0.978 6.295 -6.448 441 HG21 VAL 66 3HG2 VAL 66 -4.101 8.280 -7.122 442 HG22 VAL 66 1HG2 VAL 66 -4.237 7.761 -5.442 443 HG23 VAL 66 2HG2 VAL 66 -5.187 6.959 -6.692 444 H MET 67 H MET 67 -4.866 6.747 -9.793 445 HA MET 67 HA MET 67 -3.053 8.542 -11.211 446 HB2 MET 67 2HB MET 67 -5.962 7.866 -11.711 447 HB3 MET 67 1HB MET 67 -4.979 8.900 -12.740 448 HG2 MET 67 2HG MET 67 -4.477 5.981 -12.176 449 HG3 MET 67 1HG MET 67 -5.168 6.654 -13.656 450 HE1 MET 67 3HE MET 67 -2.627 4.682 -13.550 451 HE2 MET 67 1HE MET 67 -1.570 5.445 -14.741 452 HE3 MET 67 2HE MET 67 -3.301 5.303 -15.056 453 H TYR 68 H TYR 68 -6.229 8.842 -9.590 454 HA TYR 68 HA TYR 68 -5.410 11.471 -8.605 455 HB2 TYR 68 2HB TYR 68 -7.684 12.407 -9.216 456 HB3 TYR 68 1HB TYR 68 -6.593 12.123 -10.566 457 HD1 TYR 68 HD1 TYR 68 -9.567 10.770 -8.797 458 HD2 TYR 68 HD2 TYR 68 -7.191 10.655 -12.332 459 HE1 TYR 68 HE1 TYR 68 -11.301 9.434 -9.918 460 HE2 TYR 68 HE2 TYR 68 -8.917 9.319 -13.458 461 HH TYR 68 HH TYR 68 -10.764 7.833 -12.878 462 H ARG 69 H ARG 69 -6.590 12.206 -6.767 463 HA ARG 69 HA ARG 69 -7.477 10.017 -5.093 464 HB2 ARG 69 2HB ARG 69 -7.000 12.952 -4.562 465 HB3 ARG 69 1HB ARG 69 -7.630 11.855 -3.339 466 HG2 ARG 69 2HG ARG 69 -5.626 10.478 -3.513 467 HG3 ARG 69 1HG ARG 69 -4.989 11.545 -4.766 468 HD2 ARG 69 2HD ARG 69 -4.726 13.336 -3.241 469 HD3 ARG 69 1HD ARG 69 -5.716 12.543 -2.017 470 HE ARG 69 HE ARG 69 -3.512 10.913 -2.556 471 HH11 ARG 69 1HH1 ARG 69 -4.179 13.983 -1.134 472 HH12 ARG 69 2HH1 ARG 69 -2.831 13.892 -0.058 473 HH21 ARG 69 1HH2 ARG 69 -1.811 10.801 -1.176 474 HH22 ARG 69 2HH2 ARG 69 -1.483 12.118 -0.100 475 H GLY 70 H GLY 70 -9.489 9.603 -4.364 476 HA2 GLY 70 2HA GLY 70 -11.778 10.366 -3.900 477 HA3 GLY 70 1HA GLY 70 -11.688 11.306 -5.383 478 H ARG 71 H ARG 71 -13.695 10.171 -5.920 479 HA ARG 71 HA ARG 71 -13.499 7.338 -6.559 480 HB2 ARG 71 2HB ARG 71 -15.740 9.336 -6.948 481 HB3 ARG 71 1HB ARG 71 -15.858 7.622 -7.325 482 HG2 ARG 71 2HG ARG 71 -15.446 7.090 -4.955 483 HG3 ARG 71 1HG ARG 71 -15.390 8.816 -4.593 484 HD2 ARG 71 2HD ARG 71 -17.591 7.773 -4.094 485 HD3 ARG 71 1HD ARG 71 -17.689 9.089 -5.267 486 HE ARG 71 HE ARG 71 -17.443 6.874 -6.807 487 HH11 ARG 71 1HH1 ARG 71 -19.614 7.717 -4.268 488 HH12 ARG 71 2HH1 ARG 71 -20.905 6.772 -4.927 489 HH21 ARG 71 1HH2 ARG 71 -19.101 5.704 -7.647 490 HH22 ARG 71 2HH2 ARG 71 -20.631 5.674 -6.837 491 H CYS 72 H CYS 72 -13.803 6.467 -8.697 492 HA CYS 72 HA CYS 72 -12.385 7.737 -10.747 493 HB2 CYS 72 2HB CYS 72 -14.295 5.417 -10.774 494 HB3 CYS 72 1HB CYS 72 -13.619 6.040 -12.277 495 H ARG 73 H ARG 73 -12.835 9.461 -11.838 496 HA ARG 73 HA ARG 73 -15.651 10.220 -12.318 497 HB2 ARG 73 2HB ARG 73 -14.680 12.611 -12.261 498 HB3 ARG 73 1HB ARG 73 -14.877 11.764 -10.733 499 HG2 ARG 73 2HG ARG 73 -12.568 11.351 -10.532 500 HG3 ARG 73 1HG ARG 73 -12.263 11.746 -12.223 501 HD2 ARG 73 2HD ARG 73 -13.229 13.736 -10.170 502 HD3 ARG 73 1HD ARG 73 -11.531 13.494 -10.586 503 HE ARG 73 HE ARG 73 -12.782 13.951 -12.976 504 HH11 ARG 73 1HH1 ARG 73 -12.463 15.684 -10.018 505 HH12 ARG 73 2HH1 ARG 73 -12.607 17.225 -10.786 506 HH21 ARG 73 1HH2 ARG 73 -12.958 15.934 -13.945 507 HH22 ARG 73 2HH2 ARG 73 -12.885 17.369 -12.978 508 H LYS 74 H LYS 74 -16.232 10.851 -14.342 509 HA LYS 74 HA LYS 74 -14.107 11.592 -16.256 510 HB2 LYS 74 2HB LYS 74 -14.967 9.345 -16.826 511 HB3 LYS 74 1HB LYS 74 -16.598 10.000 -16.933 512 HG2 LYS 74 2HG LYS 74 -15.751 11.542 -18.732 513 HG3 LYS 74 1HG LYS 74 -14.245 10.627 -18.707 514 HD2 LYS 74 2HD LYS 74 -15.410 8.611 -19.369 515 HD3 LYS 74 1HD LYS 74 -16.968 9.435 -19.259 516 HE2 LYS 74 2HE LYS 74 -14.729 10.050 -21.193 517 HE3 LYS 74 1HE LYS 74 -16.282 9.305 -21.580 518 HZ1 LYS 74 3HZ LYS 74 -16.248 11.662 -22.139 519 HZ2 LYS 74 1HZ LYS 74 -15.915 12.062 -20.530 520 HZ3 LYS 74 2HZ LYS 74 -17.391 11.348 -20.936 Start of MODEL 10 1 H1 SER 1 1H SER 1 8.906 0.655 22.921 2 H2 SER 1 2H SER 1 8.115 1.457 21.659 3 H3 SER 1 3H SER 1 8.746 2.338 22.953 4 HA SER 1 HA SER 1 10.146 2.560 21.015 5 HB2 SER 1 2HB SER 1 11.385 0.932 23.255 6 HB3 SER 1 1HB SER 1 12.287 1.894 22.084 7 HG SER 1 HG SER 1 11.998 3.095 23.961 8 H ASP 2 H ASP 2 9.850 1.516 19.100 9 HA ASP 2 HA ASP 2 10.763 -1.292 18.927 10 HB2 ASP 2 2HB ASP 2 8.524 0.045 17.378 11 HB3 ASP 2 1HB ASP 2 9.110 -1.592 17.094 12 H SER 3 H SER 3 12.470 -1.594 17.675 13 HA SER 3 HA SER 3 12.774 -0.069 15.187 14 HB2 SER 3 2HB SER 3 14.154 1.157 16.814 15 HB3 SER 3 1HB SER 3 14.990 -0.333 17.249 16 HG SER 3 HG SER 3 15.008 0.943 14.700 17 H CYS 4 H CYS 4 14.915 -1.063 14.039 18 HA CYS 4 HA CYS 4 14.380 -3.960 13.943 19 HB2 CYS 4 2HB CYS 4 16.110 -2.398 12.014 20 HB3 CYS 4 1HB CYS 4 15.296 -3.936 11.750 21 H ASP 5 H ASP 5 15.787 -5.349 14.868 22 HA ASP 5 HA ASP 5 18.477 -4.472 15.554 23 HB2 ASP 5 2HB ASP 5 17.098 -5.867 17.108 24 HB3 ASP 5 1HB ASP 5 17.196 -7.190 15.948 25 H GLY 6 H GLY 6 19.968 -4.479 13.955 26 HA2 GLY 6 2HA GLY 6 21.372 -5.312 12.326 27 HA3 GLY 6 1HA GLY 6 20.654 -6.889 12.580 28 H VAL 7 H VAL 7 17.928 -5.979 11.902 29 HA VAL 7 HA VAL 7 18.000 -6.639 9.156 30 HB VAL 7 HB VAL 7 15.651 -5.439 10.642 31 HG11 VAL 7 1HG1 VAL 7 15.764 -7.292 8.255 32 HG12 VAL 7 2HG1 VAL 7 15.356 -5.578 8.216 33 HG13 VAL 7 3HG1 VAL 7 14.296 -6.716 9.046 34 HG21 VAL 7 3HG2 VAL 7 16.527 -7.305 11.939 35 HG22 VAL 7 1HG2 VAL 7 16.499 -8.336 10.506 36 HG23 VAL 7 2HG2 VAL 7 14.989 -7.739 11.194 37 H GLU 8 H GLU 8 17.753 -5.437 7.314 38 HA GLU 8 HA GLU 8 18.131 -2.555 7.531 39 HB2 GLU 8 2HB GLU 8 18.241 -4.487 5.213 40 HB3 GLU 8 1HB GLU 8 18.370 -2.747 4.999 41 HG2 GLU 8 2HG GLU 8 20.205 -4.324 6.790 42 HG3 GLU 8 1HG GLU 8 20.543 -4.008 5.087 43 H CYS 9 H CYS 9 16.348 -1.373 7.806 44 HA CYS 9 HA CYS 9 14.129 -1.679 5.913 45 HB2 CYS 9 2HB CYS 9 13.662 -1.517 8.902 46 HB3 CYS 9 1HB CYS 9 12.429 -1.640 7.650 47 H GLY 10 H GLY 10 13.180 0.225 5.345 48 HA2 GLY 10 2HA GLY 10 13.199 2.577 6.958 49 HA3 GLY 10 1HA GLY 10 14.434 2.667 5.710 50 HA PRO 11 HA PRO 11 11.158 4.133 3.039 51 HB2 PRO 11 2HB PRO 11 12.374 3.901 0.632 52 HB3 PRO 11 1HB PRO 11 12.837 5.137 1.808 53 HG2 PRO 11 2HG PRO 11 14.150 2.511 1.200 54 HG3 PRO 11 1HG PRO 11 14.897 4.092 1.497 55 HD2 PRO 11 2HD PRO 11 14.717 2.123 3.391 56 HD3 PRO 11 1HD PRO 11 14.778 3.854 3.782 57 H GLY 12 H GLY 12 9.407 2.795 2.910 58 HA2 GLY 12 2HA GLY 12 8.054 1.400 1.531 59 HA3 GLY 12 1HA GLY 12 9.503 0.613 0.934 60 H LYS 13 H LYS 13 10.269 0.514 4.005 61 HA LYS 13 HA LYS 13 8.552 -1.792 4.689 62 HB2 LYS 13 2HB LYS 13 11.567 -1.658 4.807 63 HB3 LYS 13 1HB LYS 13 10.644 -2.835 5.731 64 HG2 LYS 13 2HG LYS 13 9.705 -3.722 3.636 65 HG3 LYS 13 1HG LYS 13 10.682 -2.573 2.730 66 HD2 LYS 13 2HD LYS 13 11.742 -4.749 4.543 67 HD3 LYS 13 1HD LYS 13 11.727 -4.794 2.780 68 HE2 LYS 13 2HE LYS 13 13.206 -2.825 2.733 69 HE3 LYS 13 1HE LYS 13 13.233 -2.812 4.496 70 HZ1 LYS 13 3HZ LYS 13 14.227 -5.049 4.415 71 HZ2 LYS 13 1HZ LYS 13 15.195 -3.885 3.668 72 HZ3 LYS 13 2HZ LYS 13 14.285 -4.954 2.730 73 H ALA 14 H ALA 14 8.460 -2.353 6.926 74 HA ALA 14 HA ALA 14 9.682 -0.577 8.895 75 HB1 ALA 14 3HB ALA 14 7.590 -0.170 10.075 76 HB2 ALA 14 1HB ALA 14 6.699 -1.087 8.857 77 HB3 ALA 14 2HB ALA 14 7.477 0.435 8.420 78 H CYS 15 H CYS 15 10.242 -1.689 10.753 79 HA CYS 15 HA CYS 15 9.590 -4.565 10.762 80 HB2 CYS 15 2HB CYS 15 11.543 -4.849 12.221 81 HB3 CYS 15 1HB CYS 15 11.974 -4.049 10.714 82 H ARG 16 H ARG 16 8.743 -5.598 12.513 83 HA ARG 16 HA ARG 16 7.984 -3.972 14.856 84 HB2 ARG 16 2HB ARG 16 6.091 -4.233 13.212 85 HB3 ARG 16 1HB ARG 16 6.187 -5.971 13.451 86 HG2 ARG 16 2HG ARG 16 4.402 -5.217 14.790 87 HG3 ARG 16 1HG ARG 16 5.735 -5.545 15.897 88 HD2 ARG 16 2HD ARG 16 6.277 -3.134 15.913 89 HD3 ARG 16 1HD ARG 16 4.892 -2.835 14.861 90 HE ARG 16 HE ARG 16 4.511 -4.095 17.491 91 HH11 ARG 16 1HH1 ARG 16 3.919 -1.480 15.329 92 HH12 ARG 16 2HH1 ARG 16 2.688 -0.791 16.327 93 HH21 ARG 16 1HH2 ARG 16 2.942 -3.206 18.764 94 HH22 ARG 16 2HH2 ARG 16 2.139 -1.759 18.259 95 H MET 17 H MET 17 8.005 -5.082 16.844 96 HA MET 17 HA MET 17 9.443 -7.599 16.912 97 HB2 MET 17 2HB MET 17 8.259 -5.916 19.142 98 HB3 MET 17 1HB MET 17 9.238 -7.353 19.394 99 HG2 MET 17 2HG MET 17 10.425 -5.217 17.721 100 HG3 MET 17 1HG MET 17 10.236 -4.875 19.438 101 HE1 MET 17 3HE MET 17 12.786 -8.359 17.765 102 HE2 MET 17 1HE MET 17 11.927 -7.202 16.751 103 HE3 MET 17 2HE MET 17 11.024 -8.384 17.702 104 H LEU 18 H LEU 18 8.276 -9.337 16.299 105 HA LEU 18 HA LEU 18 5.610 -9.739 17.516 106 HB2 LEU 18 2HB LEU 18 6.471 -10.472 14.711 107 HB3 LEU 18 1HB LEU 18 4.899 -10.805 15.416 108 HG LEU 18 HG LEU 18 6.020 -8.033 14.938 109 HD11 LEU 18 1HD1 LEU 18 4.381 -7.885 13.126 110 HD12 LEU 18 2HD1 LEU 18 3.947 -9.575 13.382 111 HD13 LEU 18 3HD1 LEU 18 5.568 -9.154 12.829 112 HD21 LEU 18 3HD2 LEU 18 3.271 -8.938 15.801 113 HD22 LEU 18 1HD2 LEU 18 3.736 -7.279 15.419 114 HD23 LEU 18 2HD2 LEU 18 4.455 -8.099 16.803 115 H GLY 19 H GLY 19 5.607 -11.458 18.818 116 HA2 GLY 19 2HA GLY 19 6.105 -13.506 19.737 117 HA3 GLY 19 1HA GLY 19 6.449 -14.042 18.101 118 H GLY 20 H GLY 20 8.169 -11.467 19.785 119 HA2 GLY 20 2HA GLY 20 10.356 -11.292 20.494 120 HA3 GLY 20 1HA GLY 20 10.429 -13.046 20.544 121 H ARG 21 H ARG 21 9.433 -11.867 17.526 122 HA ARG 21 HA ARG 21 12.170 -12.118 16.438 123 HB2 ARG 21 2HB ARG 21 9.541 -13.063 15.275 124 HB3 ARG 21 1HB ARG 21 11.043 -13.012 14.362 125 HG2 ARG 21 2HG ARG 21 10.623 -14.616 16.884 126 HG3 ARG 21 1HG ARG 21 10.496 -15.256 15.244 127 HD2 ARG 21 2HD ARG 21 12.962 -14.054 16.518 128 HD3 ARG 21 1HD ARG 21 12.683 -15.764 16.176 129 HE ARG 21 HE ARG 21 12.405 -14.390 13.779 130 HH11 ARG 21 1HH1 ARG 21 14.899 -15.043 16.070 131 HH12 ARG 21 2HH1 ARG 21 16.152 -14.959 14.883 132 HH21 ARG 21 1HH2 ARG 21 14.038 -14.271 12.270 133 HH22 ARG 21 2HH2 ARG 21 15.677 -14.532 12.770 134 HA PRO 22 HA PRO 22 11.273 -8.092 14.664 135 HB2 PRO 22 2HB PRO 22 13.568 -7.710 13.315 136 HB3 PRO 22 1HB PRO 22 13.512 -7.669 15.082 137 HG2 PRO 22 2HG PRO 22 14.430 -9.857 13.263 138 HG3 PRO 22 1HG PRO 22 15.127 -9.313 14.800 139 HD2 PRO 22 2HD PRO 22 13.477 -11.525 14.508 140 HD3 PRO 22 1HD PRO 22 13.730 -10.649 16.029 141 H ARG 23 H ARG 23 9.575 -8.517 13.229 142 HA ARG 23 HA ARG 23 10.214 -9.648 10.598 143 HB2 ARG 23 2HB ARG 23 7.548 -8.909 11.830 144 HB3 ARG 23 1HB ARG 23 7.758 -9.647 10.247 145 HG2 ARG 23 2HG ARG 23 8.837 -11.601 11.395 146 HG3 ARG 23 1HG ARG 23 8.373 -10.873 12.935 147 HD2 ARG 23 2HD ARG 23 6.754 -12.573 12.210 148 HD3 ARG 23 1HD ARG 23 6.019 -10.971 12.288 149 HE ARG 23 HE ARG 23 6.861 -12.296 9.785 150 HH11 ARG 23 1HH1 ARG 23 4.718 -10.246 11.532 151 HH12 ARG 23 2HH1 ARG 23 3.762 -9.868 10.144 152 HH21 ARG 23 1HH2 ARG 23 5.614 -11.812 8.010 153 HH22 ARG 23 2HH2 ARG 23 4.271 -10.729 8.172 154 H CYS 24 H CYS 24 10.623 -8.360 8.908 155 HA CYS 24 HA CYS 24 9.791 -5.527 9.019 156 HB2 CYS 24 2HB CYS 24 12.246 -6.188 8.667 157 HB3 CYS 24 1HB CYS 24 11.757 -6.724 7.062 158 H GLU 25 H GLU 25 8.126 -4.900 7.773 159 HA GLU 25 HA GLU 25 7.407 -6.556 5.447 160 HB2 GLU 25 2HB GLU 25 5.489 -5.547 7.564 161 HB3 GLU 25 1HB GLU 25 5.013 -6.350 6.073 162 HG2 GLU 25 2HG GLU 25 6.286 -8.350 6.794 163 HG3 GLU 25 1HG GLU 25 6.633 -7.542 8.319 164 H CYS 26 H CYS 26 5.900 -5.484 3.945 165 HA CYS 26 HA CYS 26 6.935 -2.973 3.159 166 HB2 CYS 26 2HB CYS 26 6.014 -4.650 1.593 167 HB3 CYS 26 1HB CYS 26 4.401 -4.342 2.231 168 H ALA 27 H ALA 27 6.375 -0.952 3.716 169 HA ALA 27 HA ALA 27 3.938 -0.583 5.340 170 HB1 ALA 27 3HB ALA 27 5.070 1.309 6.385 171 HB2 ALA 27 1HB ALA 27 6.465 1.071 5.332 172 HB3 ALA 27 2HB ALA 27 6.043 -0.157 6.527 173 HA PRO 28 HA PRO 28 2.355 2.040 2.054 174 HB2 PRO 28 2HB PRO 28 0.471 3.054 4.088 175 HB3 PRO 28 1HB PRO 28 0.142 2.162 2.599 176 HG2 PRO 28 2HG PRO 28 -0.164 1.024 5.016 177 HG3 PRO 28 1HG PRO 28 0.409 0.101 3.615 178 HD2 PRO 28 2HD PRO 28 1.994 1.283 5.882 179 HD3 PRO 28 1HD PRO 28 2.135 -0.322 5.127 180 H ASP 29 H ASP 29 3.629 3.764 1.544 181 HA ASP 29 HA ASP 29 4.392 5.770 3.457 182 HB2 ASP 29 2HB ASP 29 5.867 5.088 1.594 183 HB3 ASP 29 1HB ASP 29 4.702 5.729 0.440 184 H CYS 30 H CYS 30 3.493 7.749 3.826 185 HA CYS 30 HA CYS 30 1.189 8.584 2.161 186 HB2 CYS 30 2HB CYS 30 1.460 8.780 5.176 187 HB3 CYS 30 1HB CYS 30 0.140 9.471 4.237 188 H SER 31 H SER 31 3.727 9.525 1.594 189 HA SER 31 HA SER 31 4.235 12.024 2.923 190 HB2 SER 31 2HB SER 31 5.380 10.922 0.343 191 HB3 SER 31 1HB SER 31 5.975 12.353 1.185 192 HG SER 31 HG SER 31 6.297 9.660 1.782 193 H GLY 32 H GLY 32 3.704 11.572 -0.596 194 HA2 GLY 32 2HA GLY 32 2.737 14.322 -0.741 195 HA3 GLY 32 1HA GLY 32 3.150 13.290 -2.095 196 H LEU 33 H LEU 33 0.787 13.017 0.575 197 HA LEU 33 HA LEU 33 -1.433 13.188 -1.273 198 HB2 LEU 33 2HB LEU 33 -2.334 10.947 -0.726 199 HB3 LEU 33 1HB LEU 33 -0.834 10.887 -1.629 200 HG LEU 33 HG LEU 33 0.264 10.590 0.744 201 HD11 LEU 33 1HD1 LEU 33 -1.744 10.984 2.055 202 HD12 LEU 33 2HD1 LEU 33 -1.148 9.347 2.307 203 HD13 LEU 33 3HD1 LEU 33 -2.546 9.626 1.270 204 HD21 LEU 33 3HD2 LEU 33 -1.270 8.369 -0.613 205 HD22 LEU 33 1HD2 LEU 33 0.071 8.160 0.516 206 HD23 LEU 33 2HD2 LEU 33 0.344 8.934 -1.046 207 HA PRO 34 HA PRO 34 -3.466 14.553 2.472 208 HB2 PRO 34 2HB PRO 34 -6.062 13.843 1.318 209 HB3 PRO 34 1HB PRO 34 -5.387 15.442 1.633 210 HG2 PRO 34 2HG PRO 34 -5.748 14.470 -0.876 211 HG3 PRO 34 1HG PRO 34 -4.448 15.604 -0.464 212 HD2 PRO 34 2HD PRO 34 -4.323 12.623 -0.822 213 HD3 PRO 34 1HD PRO 34 -3.188 13.874 -1.379 214 H ALA 35 H ALA 35 -4.051 13.622 4.374 215 HA ALA 35 HA ALA 35 -4.034 10.828 4.697 216 HB1 ALA 35 3HB ALA 35 -5.039 12.923 6.626 217 HB2 ALA 35 1HB ALA 35 -3.362 12.411 6.447 218 HB3 ALA 35 2HB ALA 35 -4.572 11.270 7.030 219 H ARG 36 H ARG 36 -5.580 9.304 4.779 220 HA ARG 36 HA ARG 36 -7.567 8.229 4.636 221 HB2 ARG 36 2HB ARG 36 -8.579 10.772 5.915 222 HB3 ARG 36 1HB ARG 36 -9.613 9.389 5.595 223 HG2 ARG 36 2HG ARG 36 -9.004 9.199 7.851 224 HG3 ARG 36 1HG ARG 36 -7.995 8.027 7.004 225 HD2 ARG 36 2HD ARG 36 -6.117 9.575 7.060 226 HD3 ARG 36 1HD ARG 36 -7.125 10.797 7.840 227 HE ARG 36 HE ARG 36 -6.701 8.211 9.161 228 HH11 ARG 36 1HH1 ARG 36 -6.207 11.617 9.090 229 HH12 ARG 36 2HH1 ARG 36 -5.674 11.688 10.732 230 HH21 ARG 36 1HH2 ARG 36 -6.000 8.312 11.273 231 HH22 ARG 36 2HH2 ARG 36 -5.580 9.844 11.957 232 H LEU 37 H LEU 37 -6.698 10.288 2.463 233 HA LEU 37 HA LEU 37 -9.222 10.958 1.205 234 HB2 LEU 37 2HB LEU 37 -7.078 12.345 1.137 235 HB3 LEU 37 1HB LEU 37 -6.465 11.177 -0.011 236 HG LEU 37 HG LEU 37 -7.376 13.313 -0.999 237 HD11 LEU 37 1HD1 LEU 37 -7.108 11.316 -2.371 238 HD12 LEU 37 2HD1 LEU 37 -8.526 12.241 -2.860 239 HD13 LEU 37 3HD1 LEU 37 -8.719 10.768 -1.908 240 HD21 LEU 37 3HD2 LEU 37 -9.282 13.604 0.494 241 HD22 LEU 37 1HD2 LEU 37 -10.030 12.145 -0.156 242 HD23 LEU 37 2HD2 LEU 37 -9.801 13.557 -1.190 243 H GLN 38 H GLN 38 -10.348 9.270 0.443 244 HA GLN 38 HA GLN 38 -9.339 6.836 -0.519 245 HB2 GLN 38 2HB GLN 38 -11.995 8.109 -1.231 246 HB3 GLN 38 1HB GLN 38 -11.599 6.397 -1.309 247 HG2 GLN 38 2HG GLN 38 -11.336 6.341 1.123 248 HG3 GLN 38 1HG GLN 38 -11.715 8.059 1.206 249 HE21 GLN 38 1HE2 GLN 38 -13.074 5.880 2.483 250 HE22 GLN 38 2HE2 GLN 38 -14.709 5.912 1.923 251 H VAL 39 H VAL 39 -9.212 5.966 -2.657 252 HA VAL 39 HA VAL 39 -9.215 7.880 -4.888 253 HB VAL 39 HB VAL 39 -7.017 7.024 -5.698 254 HG11 VAL 39 1HG1 VAL 39 -6.921 8.340 -2.979 255 HG12 VAL 39 2HG1 VAL 39 -7.146 9.166 -4.520 256 HG13 VAL 39 3HG1 VAL 39 -5.625 8.343 -4.176 257 HG21 VAL 39 3HG2 VAL 39 -6.958 4.903 -4.493 258 HG22 VAL 39 1HG2 VAL 39 -6.848 5.760 -2.956 259 HG23 VAL 39 2HG2 VAL 39 -5.527 5.861 -4.119 260 H CYS 40 H CYS 40 -9.154 6.862 -7.020 261 HA CYS 40 HA CYS 40 -10.272 4.125 -6.987 262 HB2 CYS 40 2HB CYS 40 -11.748 5.814 -8.003 263 HB3 CYS 40 1HB CYS 40 -10.488 6.229 -9.160 264 H GLY 41 H GLY 41 -9.033 2.510 -7.671 265 HA2 GLY 41 2HA GLY 41 -6.499 2.985 -8.983 266 HA3 GLY 41 1HA GLY 41 -7.162 1.426 -8.520 267 H SER 42 H SER 42 -5.929 1.331 -10.814 268 HA SER 42 HA SER 42 -7.192 2.177 -13.159 269 HB2 SER 42 2HB SER 42 -4.878 1.287 -13.059 270 HB3 SER 42 1HB SER 42 -5.527 -0.330 -12.794 271 HG SER 42 HG SER 42 -6.007 -0.478 -14.848 272 H ASP 43 H ASP 43 -7.974 -0.505 -11.090 273 HA ASP 43 HA ASP 43 -9.594 -1.918 -12.997 274 HB2 ASP 43 2HB ASP 43 -8.490 -3.040 -11.088 275 HB3 ASP 43 1HB ASP 43 -9.508 -2.130 -9.975 276 H GLY 44 H GLY 44 -10.082 0.897 -11.169 277 HA2 GLY 44 2HA GLY 44 -11.959 2.274 -11.122 278 HA3 GLY 44 1HA GLY 44 -12.903 0.977 -11.838 279 H ALA 45 H ALA 45 -10.958 0.685 -8.915 280 HA ALA 45 HA ALA 45 -13.430 0.308 -7.338 281 HB1 ALA 45 3HB ALA 45 -12.165 -1.253 -5.934 282 HB2 ALA 45 1HB ALA 45 -10.739 -1.010 -6.944 283 HB3 ALA 45 2HB ALA 45 -12.179 -1.771 -7.620 284 H THR 46 H THR 46 -13.492 1.123 -5.214 285 HA THR 46 HA THR 46 -11.760 3.444 -4.786 286 HB THR 46 HB THR 46 -14.287 2.617 -3.329 287 HG1 THR 46 HG1 THR 46 -15.277 3.561 -4.933 288 HG21 THR 46 3HG2 THR 46 -12.696 5.189 -3.201 289 HG22 THR 46 1HG2 THR 46 -12.867 4.000 -1.908 290 HG23 THR 46 2HG2 THR 46 -14.269 4.925 -2.448 291 H TYR 47 H TYR 47 -9.998 3.197 -3.581 292 HA TYR 47 HA TYR 47 -9.865 1.175 -1.474 293 HB2 TYR 47 2HB TYR 47 -7.772 3.068 -2.577 294 HB3 TYR 47 1HB TYR 47 -7.464 1.848 -1.343 295 HD1 TYR 47 HD1 TYR 47 -7.427 -0.532 -1.925 296 HD2 TYR 47 HD2 TYR 47 -8.122 2.432 -4.908 297 HE1 TYR 47 HE1 TYR 47 -7.032 -2.206 -3.679 298 HE2 TYR 47 HE2 TYR 47 -7.720 0.761 -6.667 299 HH TYR 47 HH TYR 47 -6.531 -1.421 -6.910 300 H ARG 48 H ARG 48 -8.802 1.852 0.644 301 HA ARG 48 HA ARG 48 -10.462 3.734 1.942 302 HB2 ARG 48 2HB ARG 48 -7.813 2.655 2.941 303 HB3 ARG 48 1HB ARG 48 -9.102 3.345 3.918 304 HG2 ARG 48 2HG ARG 48 -9.210 0.763 2.363 305 HG3 ARG 48 1HG ARG 48 -9.115 0.941 4.114 306 HD2 ARG 48 2HD ARG 48 -11.400 1.878 2.375 307 HD3 ARG 48 1HD ARG 48 -11.389 0.407 3.344 308 HE ARG 48 HE ARG 48 -10.832 2.556 5.035 309 HH11 ARG 48 1HH1 ARG 48 -13.438 1.358 3.126 310 HH12 ARG 48 2HH1 ARG 48 -14.648 2.004 4.180 311 HH21 ARG 48 1HH2 ARG 48 -12.393 3.383 6.375 312 HH22 ARG 48 2HH2 ARG 48 -14.066 3.138 5.997 313 H ASP 49 H ASP 49 -7.143 3.962 0.772 314 HA ASP 49 HA ASP 49 -7.430 6.740 0.248 315 HB2 ASP 49 2HB ASP 49 -5.464 7.467 1.681 316 HB3 ASP 49 1HB ASP 49 -6.954 7.120 2.547 317 H GLU 50 H GLU 50 -5.186 7.662 -0.520 318 HA GLU 50 HA GLU 50 -4.252 5.988 -2.584 319 HB2 GLU 50 2HB GLU 50 -4.150 8.469 -2.649 320 HB3 GLU 50 1HB GLU 50 -2.863 8.429 -1.450 321 HG2 GLU 50 2HG GLU 50 -1.424 7.222 -2.988 322 HG3 GLU 50 1HG GLU 50 -2.721 7.151 -4.179 323 H CYS 51 H CYS 51 -3.122 6.469 0.696 324 HA CYS 51 HA CYS 51 -0.582 5.294 0.539 325 HB2 CYS 51 2HB CYS 51 -2.540 5.090 2.847 326 HB3 CYS 51 1HB CYS 51 -0.805 4.809 2.935 327 H GLU 52 H GLU 52 -3.777 3.811 1.003 328 HA GLU 52 HA GLU 52 -2.827 1.141 1.249 329 HB2 GLU 52 2HB GLU 52 -5.021 1.748 2.095 330 HB3 GLU 52 1HB GLU 52 -5.558 2.199 0.480 331 HG2 GLU 52 2HG GLU 52 -5.380 -0.108 -0.257 332 HG3 GLU 52 1HG GLU 52 -4.746 -0.587 1.315 333 H LEU 53 H LEU 53 -3.888 3.080 -1.530 334 HA LEU 53 HA LEU 53 -3.891 0.965 -3.417 335 HB2 LEU 53 2HB LEU 53 -4.954 3.202 -3.754 336 HB3 LEU 53 1HB LEU 53 -3.358 3.899 -3.946 337 HG LEU 53 HG LEU 53 -4.255 1.671 -5.764 338 HD11 LEU 53 1HD1 LEU 53 -6.043 3.328 -5.831 339 HD12 LEU 53 2HD1 LEU 53 -5.124 3.325 -7.335 340 HD13 LEU 53 3HD1 LEU 53 -4.862 4.602 -6.146 341 HD21 LEU 53 3HD2 LEU 53 -2.731 2.790 -7.349 342 HD22 LEU 53 1HD2 LEU 53 -1.904 2.319 -5.862 343 HD23 LEU 53 2HD2 LEU 53 -2.360 4.002 -6.121 344 H ARG 54 H ARG 54 -1.386 3.390 -2.634 345 HA ARG 54 HA ARG 54 0.661 2.392 -4.261 346 HB2 ARG 54 2HB ARG 54 0.906 3.696 -1.534 347 HB3 ARG 54 1HB ARG 54 2.225 3.491 -2.678 348 HG2 ARG 54 2HG ARG 54 1.105 4.963 -4.266 349 HG3 ARG 54 1HG ARG 54 -0.259 5.137 -3.158 350 HD2 ARG 54 2HD ARG 54 1.211 7.072 -3.004 351 HD3 ARG 54 1HD ARG 54 1.237 6.162 -1.493 352 HE ARG 54 HE ARG 54 3.343 5.418 -3.298 353 HH11 ARG 54 1HH1 ARG 54 2.428 7.667 -0.855 354 HH12 ARG 54 2HH1 ARG 54 4.065 8.029 -0.430 355 HH21 ARG 54 1HH2 ARG 54 5.415 5.896 -2.752 356 HH22 ARG 54 2HH2 ARG 54 5.740 7.043 -1.498 357 H ALA 55 H ALA 55 -0.153 1.595 -0.890 358 HA ALA 55 HA ALA 55 1.787 -0.392 -0.477 359 HB1 ALA 55 3HB ALA 55 0.429 -1.123 1.388 360 HB2 ALA 55 1HB ALA 55 -0.965 -0.248 0.753 361 HB3 ALA 55 2HB ALA 55 0.449 0.639 1.321 362 H ALA 56 H ALA 56 -1.453 -0.573 -1.885 363 HA ALA 56 HA ALA 56 -1.729 -3.364 -1.984 364 HB1 ALA 56 3HB ALA 56 -3.441 -2.976 -3.680 365 HB2 ALA 56 1HB ALA 56 -2.877 -1.318 -3.890 366 HB3 ALA 56 2HB ALA 56 -3.597 -1.818 -2.360 367 H ARG 57 H ARG 57 -0.176 -1.101 -4.213 368 HA ARG 57 HA ARG 57 0.412 -2.910 -6.287 369 HB2 ARG 57 2HB ARG 57 2.057 -0.533 -5.381 370 HB3 ARG 57 1HB ARG 57 2.167 -1.324 -6.950 371 HG2 ARG 57 2HG ARG 57 -0.183 -0.669 -7.392 372 HG3 ARG 57 1HG ARG 57 -0.191 0.211 -5.863 373 HD2 ARG 57 2HD ARG 57 1.593 0.748 -8.238 374 HD3 ARG 57 1HD ARG 57 0.230 1.731 -7.709 375 HE ARG 57 HE ARG 57 2.435 1.360 -5.831 376 HH11 ARG 57 1HH1 ARG 57 0.841 3.380 -8.112 377 HH12 ARG 57 2HH1 ARG 57 1.613 4.820 -7.553 378 HH21 ARG 57 1HH2 ARG 57 3.449 3.190 -5.136 379 HH22 ARG 57 2HH2 ARG 57 3.086 4.712 -5.879 380 H CYS 58 H CYS 58 2.188 -2.045 -3.374 381 HA CYS 58 HA CYS 58 4.365 -3.871 -3.858 382 HB2 CYS 58 2HB CYS 58 4.854 -1.889 -2.614 383 HB3 CYS 58 1HB CYS 58 3.541 -2.191 -1.486 384 H ARG 59 H ARG 59 1.242 -4.103 -2.442 385 HA ARG 59 HA ARG 59 1.892 -6.389 -0.768 386 HB2 ARG 59 2HB ARG 59 0.421 -4.799 0.215 387 HB3 ARG 59 1HB ARG 59 -0.624 -4.782 -1.196 388 HG2 ARG 59 2HG ARG 59 -1.494 -6.935 -0.688 389 HG3 ARG 59 1HG ARG 59 -0.266 -7.212 0.549 390 HD2 ARG 59 2HD ARG 59 -2.580 -6.594 1.387 391 HD3 ARG 59 1HD ARG 59 -1.243 -5.635 2.018 392 HE ARG 59 HE ARG 59 -1.930 -3.836 0.593 393 HH11 ARG 59 1HH1 ARG 59 -4.180 -6.442 0.771 394 HH12 ARG 59 2HH1 ARG 59 -5.510 -5.471 0.249 395 HH21 ARG 59 1HH2 ARG 59 -3.653 -2.594 -0.032 396 HH22 ARG 59 2HH2 ARG 59 -5.212 -3.320 -0.215 397 H GLY 60 H GLY 60 0.387 -5.806 -3.904 398 HA2 GLY 60 2HA GLY 60 0.413 -8.608 -4.491 399 HA3 GLY 60 1HA GLY 60 -1.213 -8.062 -4.147 400 H HIS 61 H HIS 61 -0.897 -5.445 -5.465 401 HA HIS 61 HA HIS 61 -1.061 -6.443 -8.247 402 HB2 HIS 61 2HB HIS 61 -2.513 -4.123 -6.950 403 HB3 HIS 61 1HB HIS 61 -2.641 -4.566 -8.648 404 HD1 HIS 61 HD1 HIS 61 -4.131 -6.553 -9.241 405 HD2 HIS 61 HD2 HIS 61 -3.854 -5.857 -5.155 406 HE1 HIS 61 HE1 HIS 61 -5.926 -7.957 -8.194 407 HE2 HIS 61 HE2 HIS 61 -5.878 -7.342 -5.764 408 HA PRO 62 HA PRO 62 2.577 -3.535 -8.193 409 HB2 PRO 62 2HB PRO 62 3.431 -5.212 -10.480 410 HB3 PRO 62 1HB PRO 62 4.313 -4.779 -9.013 411 HG2 PRO 62 2HG PRO 62 3.380 -7.259 -9.380 412 HG3 PRO 62 1HG PRO 62 3.362 -6.498 -7.777 413 HD2 PRO 62 2HD PRO 62 1.110 -6.826 -9.741 414 HD3 PRO 62 1HD PRO 62 1.114 -7.076 -7.982 415 H ASP 63 H ASP 63 0.462 -4.541 -10.780 416 HA ASP 63 HA ASP 63 1.353 -2.444 -12.596 417 HB2 ASP 63 2HB ASP 63 0.776 -4.771 -13.350 418 HB3 ASP 63 1HB ASP 63 -0.898 -4.443 -12.926 419 H LEU 64 H LEU 64 -0.683 -2.523 -9.991 420 HA LEU 64 HA LEU 64 -3.044 -1.270 -10.926 421 HB2 LEU 64 2HB LEU 64 -2.959 -2.503 -8.836 422 HB3 LEU 64 1HB LEU 64 -1.803 -1.365 -8.176 423 HG LEU 64 HG LEU 64 -3.552 0.416 -8.310 424 HD11 LEU 64 1HD1 LEU 64 -4.949 -0.528 -10.053 425 HD12 LEU 64 2HD1 LEU 64 -5.894 -0.278 -8.586 426 HD13 LEU 64 3HD1 LEU 64 -5.354 -1.901 -9.019 427 HD21 LEU 64 3HD2 LEU 64 -4.232 -2.016 -6.654 428 HD22 LEU 64 1HD2 LEU 64 -4.822 -0.378 -6.367 429 HD23 LEU 64 2HD2 LEU 64 -3.102 -0.735 -6.216 430 H SER 65 H SER 65 -3.088 0.689 -11.851 431 HA SER 65 HA SER 65 -1.441 2.862 -10.734 432 HB2 SER 65 2HB SER 65 -2.893 2.688 -13.390 433 HB3 SER 65 1HB SER 65 -1.940 4.068 -12.845 434 HG SER 65 HG SER 65 -1.046 2.071 -14.196 435 H VAL 66 H VAL 66 -2.385 4.898 -10.238 436 HA VAL 66 HA VAL 66 -5.233 4.767 -9.537 437 HB VAL 66 HB VAL 66 -3.731 5.499 -7.762 438 HG11 VAL 66 1HG1 VAL 66 -2.477 7.592 -7.887 439 HG12 VAL 66 2HG1 VAL 66 -2.985 7.805 -9.564 440 HG13 VAL 66 3HG1 VAL 66 -1.942 6.453 -9.124 441 HG21 VAL 66 3HG2 VAL 66 -4.836 7.622 -7.152 442 HG22 VAL 66 1HG2 VAL 66 -5.975 6.412 -7.740 443 HG23 VAL 66 2HG2 VAL 66 -5.478 7.739 -8.789 444 H MET 67 H MET 67 -6.787 5.813 -10.665 445 HA MET 67 HA MET 67 -6.013 7.387 -12.986 446 HB2 MET 67 2HB MET 67 -8.730 6.499 -11.994 447 HB3 MET 67 1HB MET 67 -8.472 7.420 -13.469 448 HG2 MET 67 2HG MET 67 -7.041 5.568 -14.309 449 HG3 MET 67 1HG MET 67 -7.476 4.641 -12.873 450 HE1 MET 67 3HE MET 67 -9.497 2.876 -15.752 451 HE2 MET 67 1HE MET 67 -8.293 2.666 -14.482 452 HE3 MET 67 2HE MET 67 -7.909 3.625 -15.911 453 H TYR 68 H TYR 68 -8.153 7.942 -10.177 454 HA TYR 68 HA TYR 68 -7.340 10.736 -10.136 455 HB2 TYR 68 2HB TYR 68 -9.713 11.532 -10.068 456 HB3 TYR 68 1HB TYR 68 -9.221 10.878 -11.624 457 HD1 TYR 68 HD1 TYR 68 -11.289 10.264 -8.622 458 HD2 TYR 68 HD2 TYR 68 -10.258 8.902 -12.525 459 HE1 TYR 68 HE1 TYR 68 -13.242 8.765 -8.612 460 HE2 TYR 68 HE2 TYR 68 -12.202 7.401 -12.522 461 HH TYR 68 HH TYR 68 -13.688 6.313 -10.993 462 H ARG 69 H ARG 69 -7.861 11.849 -8.192 463 HA ARG 69 HA ARG 69 -8.060 10.109 -5.883 464 HB2 ARG 69 2HB ARG 69 -7.542 13.071 -6.188 465 HB3 ARG 69 1HB ARG 69 -7.761 12.311 -4.615 466 HG2 ARG 69 2HG ARG 69 -5.867 10.787 -5.138 467 HG3 ARG 69 1HG ARG 69 -5.608 11.683 -6.635 468 HD2 ARG 69 2HD ARG 69 -5.029 13.668 -5.441 469 HD3 ARG 69 1HD ARG 69 -5.564 12.975 -3.907 470 HE ARG 69 HE ARG 69 -3.627 11.272 -4.723 471 HH11 ARG 69 1HH1 ARG 69 -3.704 14.690 -4.297 472 HH12 ARG 69 2HH1 ARG 69 -2.025 14.776 -3.887 473 HH21 ARG 69 1HH2 ARG 69 -1.509 11.381 -4.146 474 HH22 ARG 69 2HH2 ARG 69 -0.794 12.920 -3.780 475 H GLY 70 H GLY 70 -9.655 10.146 -4.325 476 HA2 GLY 70 2HA GLY 70 -11.805 10.954 -3.506 477 HA3 GLY 70 1HA GLY 70 -12.212 11.373 -5.167 478 H ARG 71 H ARG 71 -13.838 9.731 -3.503 479 HA ARG 71 HA ARG 71 -13.407 6.973 -3.931 480 HB2 ARG 71 2HB ARG 71 -15.743 6.677 -3.258 481 HB3 ARG 71 1HB ARG 71 -14.914 7.808 -2.198 482 HG2 ARG 71 2HG ARG 71 -15.947 9.651 -3.640 483 HG3 ARG 71 1HG ARG 71 -16.987 8.383 -4.294 484 HD2 ARG 71 2HD ARG 71 -16.771 9.276 -1.417 485 HD3 ARG 71 1HD ARG 71 -18.151 9.473 -2.496 486 HE ARG 71 HE ARG 71 -17.260 6.765 -1.824 487 HH11 ARG 71 1HH1 ARG 71 -19.664 9.231 -1.623 488 HH12 ARG 71 2HH1 ARG 71 -20.822 8.182 -0.878 489 HH21 ARG 71 1HH2 ARG 71 -18.752 5.452 -0.844 490 HH22 ARG 71 2HH2 ARG 71 -20.309 6.083 -0.429 491 H CYS 72 H CYS 72 -13.887 5.622 -5.596 492 HA CYS 72 HA CYS 72 -13.970 6.748 -8.173 493 HB2 CYS 72 2HB CYS 72 -13.071 4.431 -7.371 494 HB3 CYS 72 1HB CYS 72 -14.707 3.872 -7.698 495 H ARG 73 H ARG 73 -15.558 6.811 -9.783 496 HA ARG 73 HA ARG 73 -18.324 6.667 -8.743 497 HB2 ARG 73 2HB ARG 73 -17.335 8.441 -10.979 498 HB3 ARG 73 1HB ARG 73 -18.871 8.543 -10.131 499 HG2 ARG 73 2HG ARG 73 -16.172 9.047 -8.879 500 HG3 ARG 73 1HG ARG 73 -17.264 10.300 -9.468 501 HD2 ARG 73 2HD ARG 73 -18.919 9.715 -7.826 502 HD3 ARG 73 1HD ARG 73 -17.997 8.294 -7.333 503 HE ARG 73 HE ARG 73 -16.233 10.020 -6.666 504 HH11 ARG 73 1HH1 ARG 73 -19.620 10.647 -6.551 505 HH12 ARG 73 2HH1 ARG 73 -19.478 11.730 -5.212 506 HH21 ARG 73 1HH2 ARG 73 -16.064 11.403 -4.958 507 HH22 ARG 73 2HH2 ARG 73 -17.484 12.162 -4.322 508 H LYS 74 H LYS 74 -19.125 4.732 -9.496 509 HA LYS 74 HA LYS 74 -19.201 4.410 -12.438 510 HB2 LYS 74 2HB LYS 74 -18.971 2.400 -10.247 511 HB3 LYS 74 1HB LYS 74 -19.981 1.961 -11.615 512 HG2 LYS 74 2HG LYS 74 -17.810 1.094 -12.023 513 HG3 LYS 74 1HG LYS 74 -18.042 2.457 -13.118 514 HD2 LYS 74 2HD LYS 74 -16.760 3.885 -11.527 515 HD3 LYS 74 1HD LYS 74 -16.450 2.450 -10.545 516 HE2 LYS 74 2HE LYS 74 -15.570 2.915 -13.399 517 HE3 LYS 74 1HE LYS 74 -14.540 2.907 -11.968 518 HZ1 LYS 74 3HZ LYS 74 -14.386 0.820 -13.150 519 HZ2 LYS 74 1HZ LYS 74 -16.054 0.584 -13.033 520 HZ3 LYS 74 2HZ LYS 74 -15.097 0.568 -11.641 Start of MODEL 11 1 H1 SER 1 1H SER 1 9.336 1.532 21.849 2 H2 SER 1 2H SER 1 7.914 0.654 22.090 3 H3 SER 1 3H SER 1 7.902 2.342 22.237 4 HA SER 1 HA SER 1 6.909 1.724 20.158 5 HB2 SER 1 2HB SER 1 8.258 3.798 20.250 6 HB3 SER 1 1HB SER 1 9.686 2.884 19.767 7 HG SER 1 HG SER 1 8.012 4.052 18.175 8 H ASP 2 H ASP 2 7.756 1.218 17.766 9 HA ASP 2 HA ASP 2 8.440 -1.564 17.819 10 HB2 ASP 2 2HB ASP 2 7.977 0.355 15.529 11 HB3 ASP 2 1HB ASP 2 8.273 -1.370 15.320 12 H SER 3 H SER 3 10.508 -1.649 18.706 13 HA SER 3 HA SER 3 12.739 -0.440 17.235 14 HB2 SER 3 2HB SER 3 12.705 -2.009 19.832 15 HB3 SER 3 1HB SER 3 14.127 -1.245 19.124 16 HG SER 3 HG SER 3 11.996 -0.119 20.491 17 H CYS 4 H CYS 4 14.665 -1.796 16.720 18 HA CYS 4 HA CYS 4 14.031 -4.637 16.240 19 HB2 CYS 4 2HB CYS 4 15.152 -2.795 14.112 20 HB3 CYS 4 1HB CYS 4 14.774 -4.507 13.927 21 H ASP 5 H ASP 5 15.685 -5.943 16.816 22 HA ASP 5 HA ASP 5 18.300 -4.815 17.390 23 HB2 ASP 5 2HB ASP 5 17.223 -7.623 17.729 24 HB3 ASP 5 1HB ASP 5 18.798 -7.067 18.294 25 H GLY 6 H GLY 6 19.695 -4.560 15.730 26 HA2 GLY 6 2HA GLY 6 21.112 -5.085 14.004 27 HA3 GLY 6 1HA GLY 6 20.928 -6.749 14.518 28 H VAL 7 H VAL 7 18.131 -4.987 13.375 29 HA VAL 7 HA VAL 7 18.168 -6.606 10.898 30 HB VAL 7 HB VAL 7 15.797 -5.251 12.224 31 HG11 VAL 7 1HG1 VAL 7 15.493 -5.463 9.825 32 HG12 VAL 7 2HG1 VAL 7 14.452 -6.612 10.664 33 HG13 VAL 7 3HG1 VAL 7 15.937 -7.168 9.890 34 HG21 VAL 7 3HG2 VAL 7 16.612 -7.078 13.604 35 HG22 VAL 7 1HG2 VAL 7 16.615 -8.162 12.212 36 HG23 VAL 7 2HG2 VAL 7 15.091 -7.533 12.837 37 H GLU 8 H GLU 8 18.610 -5.544 9.033 38 HA GLU 8 HA GLU 8 18.393 -2.620 9.013 39 HB2 GLU 8 2HB GLU 8 19.810 -2.652 7.019 40 HB3 GLU 8 1HB GLU 8 20.569 -3.495 8.358 41 HG2 GLU 8 2HG GLU 8 19.123 -4.878 6.109 42 HG3 GLU 8 1HG GLU 8 20.853 -4.556 6.116 43 H CYS 9 H CYS 9 16.506 -1.867 8.383 44 HA CYS 9 HA CYS 9 15.465 -2.601 5.758 45 HB2 CYS 9 2HB CYS 9 13.807 -2.805 8.287 46 HB3 CYS 9 1HB CYS 9 13.123 -2.788 6.668 47 H GLY 10 H GLY 10 14.447 -0.892 4.720 48 HA2 GLY 10 2HA GLY 10 13.822 1.538 6.219 49 HA3 GLY 10 1HA GLY 10 15.140 1.659 5.067 50 HA PRO 11 HA PRO 11 12.230 3.047 2.087 51 HB2 PRO 11 2HB PRO 11 13.404 2.075 -0.231 52 HB3 PRO 11 1HB PRO 11 13.879 3.559 0.602 53 HG2 PRO 11 2HG PRO 11 15.103 0.830 0.738 54 HG3 PRO 11 1HG PRO 11 15.897 2.413 0.683 55 HD2 PRO 11 2HD PRO 11 15.668 1.039 2.976 56 HD3 PRO 11 1HD PRO 11 15.537 2.811 2.947 57 H GLY 12 H GLY 12 13.301 -0.192 0.919 58 HA2 GLY 12 2HA GLY 12 10.720 -0.773 -0.163 59 HA3 GLY 12 1HA GLY 12 12.073 -1.883 -0.062 60 H LYS 13 H LYS 13 12.311 -1.670 2.856 61 HA LYS 13 HA LYS 13 9.790 -2.923 3.744 62 HB2 LYS 13 2HB LYS 13 12.577 -4.000 4.236 63 HB3 LYS 13 1HB LYS 13 11.111 -4.634 4.968 64 HG2 LYS 13 2HG LYS 13 10.282 -5.316 2.786 65 HG3 LYS 13 1HG LYS 13 11.705 -4.618 2.007 66 HD2 LYS 13 2HD LYS 13 11.702 -6.899 3.997 67 HD3 LYS 13 1HD LYS 13 11.935 -7.045 2.253 68 HE2 LYS 13 2HE LYS 13 13.986 -5.718 2.405 69 HE3 LYS 13 1HE LYS 13 13.742 -5.518 4.139 70 HZ1 LYS 13 3HZ LYS 13 13.952 -7.925 4.395 71 HZ2 LYS 13 1HZ LYS 13 15.338 -7.250 3.695 72 HZ3 LYS 13 2HZ LYS 13 14.233 -8.086 2.732 73 H ALA 14 H ALA 14 9.143 -2.405 5.792 74 HA ALA 14 HA ALA 14 11.045 -0.934 7.529 75 HB1 ALA 14 3HB ALA 14 9.068 0.084 8.592 76 HB2 ALA 14 1HB ALA 14 8.026 -0.787 7.466 77 HB3 ALA 14 2HB ALA 14 9.139 0.441 6.865 78 H CYS 15 H CYS 15 11.392 -1.690 9.620 79 HA CYS 15 HA CYS 15 10.220 -4.329 10.208 80 HB2 CYS 15 2HB CYS 15 12.079 -4.737 11.665 81 HB3 CYS 15 1HB CYS 15 12.713 -4.085 10.160 82 H ARG 16 H ARG 16 9.163 -4.810 12.092 83 HA ARG 16 HA ARG 16 8.660 -2.677 14.044 84 HB2 ARG 16 2HB ARG 16 6.201 -3.061 13.862 85 HB3 ARG 16 1HB ARG 16 6.913 -2.351 12.417 86 HG2 ARG 16 2HG ARG 16 7.009 -4.674 11.449 87 HG3 ARG 16 1HG ARG 16 6.045 -5.204 12.828 88 HD2 ARG 16 2HD ARG 16 5.233 -3.078 10.843 89 HD3 ARG 16 1HD ARG 16 4.693 -4.755 10.811 90 HE ARG 16 HE ARG 16 4.154 -3.276 13.249 91 HH11 ARG 16 1HH1 ARG 16 2.986 -4.424 10.217 92 HH12 ARG 16 2HH1 ARG 16 1.325 -4.188 10.653 93 HH21 ARG 16 1HH2 ARG 16 2.029 -2.999 13.796 94 HH22 ARG 16 2HH2 ARG 16 0.791 -3.406 12.657 95 H MET 17 H MET 17 7.441 -3.453 15.965 96 HA MET 17 HA MET 17 8.465 -6.005 16.852 97 HB2 MET 17 2HB MET 17 6.749 -3.925 18.227 98 HB3 MET 17 1HB MET 17 7.322 -5.391 19.007 99 HG2 MET 17 2HG MET 17 9.367 -3.657 17.750 100 HG3 MET 17 1HG MET 17 8.580 -3.053 19.204 101 HE1 MET 17 3HE MET 17 9.660 -6.726 18.084 102 HE2 MET 17 1HE MET 17 11.180 -6.870 18.970 103 HE3 MET 17 2HE MET 17 11.026 -5.689 17.672 104 H LEU 18 H LEU 18 7.422 -7.759 16.016 105 HA LEU 18 HA LEU 18 4.498 -7.938 16.460 106 HB2 LEU 18 2HB LEU 18 6.149 -9.305 14.322 107 HB3 LEU 18 1HB LEU 18 4.432 -9.558 14.589 108 HG LEU 18 HG LEU 18 5.714 -6.958 13.721 109 HD11 LEU 18 1HD1 LEU 18 4.575 -7.365 11.588 110 HD12 LEU 18 2HD1 LEU 18 4.043 -8.941 12.175 111 HD13 LEU 18 3HD1 LEU 18 5.762 -8.616 11.951 112 HD21 LEU 18 3HD2 LEU 18 3.423 -6.159 13.411 113 HD22 LEU 18 1HD2 LEU 18 3.733 -6.577 15.095 114 HD23 LEU 18 2HD2 LEU 18 2.799 -7.669 14.073 115 H GLY 19 H GLY 19 3.971 -9.352 18.040 116 HA2 GLY 19 2HA GLY 19 4.086 -11.104 19.531 117 HA3 GLY 19 1HA GLY 19 4.844 -12.001 18.225 118 H GLY 20 H GLY 20 6.325 -9.118 19.530 119 HA2 GLY 20 2HA GLY 20 8.089 -8.848 21.025 120 HA3 GLY 20 1HA GLY 20 8.097 -10.579 21.304 121 H ARG 21 H ARG 21 8.148 -10.019 17.987 122 HA ARG 21 HA ARG 21 11.102 -10.004 17.913 123 HB2 ARG 21 2HB ARG 21 11.126 -11.736 16.241 124 HB3 ARG 21 1HB ARG 21 10.186 -12.302 17.612 125 HG2 ARG 21 2HG ARG 21 8.120 -11.633 16.339 126 HG3 ARG 21 1HG ARG 21 9.160 -11.364 14.940 127 HD2 ARG 21 2HD ARG 21 8.292 -13.552 14.701 128 HD3 ARG 21 1HD ARG 21 9.958 -13.753 15.242 129 HE ARG 21 HE ARG 21 7.637 -13.959 17.050 130 HH11 ARG 21 1HH1 ARG 21 10.700 -15.103 15.953 131 HH12 ARG 21 2HH1 ARG 21 10.774 -16.352 17.143 132 HH21 ARG 21 1HH2 ARG 21 7.717 -15.580 18.525 133 HH22 ARG 21 2HH2 ARG 21 9.075 -16.650 18.569 134 HA PRO 22 HA PRO 22 10.478 -6.769 14.904 135 HB2 PRO 22 2HB PRO 22 13.013 -6.505 14.015 136 HB3 PRO 22 1HB PRO 22 12.527 -6.000 15.639 137 HG2 PRO 22 2HG PRO 22 13.912 -8.516 14.773 138 HG3 PRO 22 1HG PRO 22 14.259 -7.472 16.165 139 HD2 PRO 22 2HD PRO 22 12.830 -9.797 16.349 140 HD3 PRO 22 1HD PRO 22 12.601 -8.421 17.447 141 H ARG 23 H ARG 23 9.316 -7.319 13.129 142 HA ARG 23 HA ARG 23 10.647 -8.919 11.024 143 HB2 ARG 23 2HB ARG 23 7.704 -8.649 11.674 144 HB3 ARG 23 1HB ARG 23 8.309 -9.406 10.207 145 HG2 ARG 23 2HG ARG 23 9.545 -11.036 11.622 146 HG3 ARG 23 1HG ARG 23 8.768 -10.325 13.040 147 HD2 ARG 23 2HD ARG 23 6.591 -10.967 12.233 148 HD3 ARG 23 1HD ARG 23 7.271 -11.508 10.696 149 HE ARG 23 HE ARG 23 8.553 -12.982 12.626 150 HH11 ARG 23 1HH1 ARG 23 5.276 -12.525 11.615 151 HH12 ARG 23 2HH1 ARG 23 4.803 -14.116 12.099 152 HH21 ARG 23 1HH2 ARG 23 7.911 -15.025 13.226 153 HH22 ARG 23 2HH2 ARG 23 6.261 -15.499 13.008 154 H CYS 24 H CYS 24 10.580 -8.215 8.893 155 HA CYS 24 HA CYS 24 9.864 -5.370 8.541 156 HB2 CYS 24 2HB CYS 24 11.745 -7.122 6.940 157 HB3 CYS 24 1HB CYS 24 11.359 -5.450 6.547 158 H GLU 25 H GLU 25 8.380 -4.721 7.070 159 HA GLU 25 HA GLU 25 7.284 -6.716 5.193 160 HB2 GLU 25 2HB GLU 25 5.012 -5.739 5.617 161 HB3 GLU 25 1HB GLU 25 5.695 -6.624 6.972 162 HG2 GLU 25 2HG GLU 25 6.403 -4.428 7.949 163 HG3 GLU 25 1HG GLU 25 5.500 -3.633 6.660 164 H CYS 26 H CYS 26 6.041 -5.750 3.387 165 HA CYS 26 HA CYS 26 7.627 -4.001 1.911 166 HB2 CYS 26 2HB CYS 26 6.082 -5.536 0.841 167 HB3 CYS 26 1HB CYS 26 4.702 -4.693 1.533 168 H ALA 27 H ALA 27 8.021 -1.904 2.225 169 HA ALA 27 HA ALA 27 5.988 -0.195 3.476 170 HB1 ALA 27 3HB ALA 27 7.802 1.406 3.824 171 HB2 ALA 27 1HB ALA 27 8.904 0.365 2.919 172 HB3 ALA 27 2HB ALA 27 8.236 -0.183 4.456 173 HA PRO 28 HA PRO 28 5.261 1.371 -0.678 174 HB2 PRO 28 2HB PRO 28 2.856 2.625 0.203 175 HB3 PRO 28 1HB PRO 28 3.024 1.049 -0.567 176 HG2 PRO 28 2HG PRO 28 2.191 1.472 2.055 177 HG3 PRO 28 1HG PRO 28 2.803 -0.059 1.404 178 HD2 PRO 28 2HD PRO 28 4.245 2.032 3.001 179 HD3 PRO 28 1HD PRO 28 4.362 0.259 3.090 180 H ASP 29 H ASP 29 6.740 3.048 1.505 181 HA ASP 29 HA ASP 29 7.441 5.191 1.858 182 HB2 ASP 29 2HB ASP 29 6.548 5.547 -1.016 183 HB3 ASP 29 1HB ASP 29 7.597 6.650 -0.135 184 H CYS 30 H CYS 30 4.771 4.661 2.702 185 HA CYS 30 HA CYS 30 2.946 6.671 1.920 186 HB2 CYS 30 2HB CYS 30 3.020 5.129 4.524 187 HB3 CYS 30 1HB CYS 30 1.638 6.010 3.877 188 H SER 31 H SER 31 4.346 8.522 1.931 189 HA SER 31 HA SER 31 4.184 10.018 4.429 190 HB2 SER 31 2HB SER 31 6.421 9.044 4.562 191 HB3 SER 31 1HB SER 31 6.794 9.608 2.935 192 HG SER 31 HG SER 31 7.459 11.363 3.863 193 H GLY 32 H GLY 32 3.326 11.957 3.949 194 HA2 GLY 32 2HA GLY 32 3.179 14.010 2.785 195 HA3 GLY 32 1HA GLY 32 4.008 13.282 1.417 196 H LEU 33 H LEU 33 2.392 10.994 1.093 197 HA LEU 33 HA LEU 33 0.184 12.016 -0.350 198 HB2 LEU 33 2HB LEU 33 -0.465 9.593 -0.570 199 HB3 LEU 33 1HB LEU 33 1.140 10.007 -1.129 200 HG LEU 33 HG LEU 33 1.977 9.139 1.148 201 HD11 LEU 33 1HD1 LEU 33 0.557 7.445 2.219 202 HD12 LEU 33 2HD1 LEU 33 -0.775 7.895 1.154 203 HD13 LEU 33 3HD1 LEU 33 -0.147 9.056 2.323 204 HD21 LEU 33 3HD2 LEU 33 2.319 7.978 -0.978 205 HD22 LEU 33 1HD2 LEU 33 0.750 7.193 -0.805 206 HD23 LEU 33 2HD2 LEU 33 2.043 6.843 0.342 207 HA PRO 34 HA PRO 34 -2.998 12.373 2.679 208 HB2 PRO 34 2HB PRO 34 -4.974 11.270 0.776 209 HB3 PRO 34 1HB PRO 34 -4.861 12.895 1.459 210 HG2 PRO 34 2HG PRO 34 -4.291 12.406 -1.121 211 HG3 PRO 34 1HG PRO 34 -3.402 13.626 -0.187 212 HD2 PRO 34 2HD PRO 34 -2.598 10.814 -0.888 213 HD3 PRO 34 1HD PRO 34 -1.629 12.304 -0.938 214 H ALA 35 H ALA 35 -3.189 11.064 4.380 215 HA ALA 35 HA ALA 35 -3.639 8.195 4.063 216 HB1 ALA 35 3HB ALA 35 -1.971 8.970 5.684 217 HB2 ALA 35 1HB ALA 35 -3.270 8.079 6.475 218 HB3 ALA 35 2HB ALA 35 -3.226 9.839 6.567 219 H ARG 36 H ARG 36 -5.470 7.108 4.723 220 HA ARG 36 HA ARG 36 -7.651 6.705 5.102 221 HB2 ARG 36 2HB ARG 36 -7.443 9.187 6.805 222 HB3 ARG 36 1HB ARG 36 -8.854 8.136 6.767 223 HG2 ARG 36 2HG ARG 36 -7.284 6.247 7.434 224 HG3 ARG 36 1HG ARG 36 -6.087 7.502 7.765 225 HD2 ARG 36 2HD ARG 36 -7.305 6.846 9.798 226 HD3 ARG 36 1HD ARG 36 -7.588 8.538 9.382 227 HE ARG 36 HE ARG 36 -9.688 7.418 8.227 228 HH11 ARG 36 1HH1 ARG 36 -8.358 6.780 11.345 229 HH12 ARG 36 2HH1 ARG 36 -9.894 6.373 12.022 230 HH21 ARG 36 1HH2 ARG 36 -11.615 6.908 9.095 231 HH22 ARG 36 2HH2 ARG 36 -11.729 6.448 10.759 232 H LEU 37 H LEU 37 -6.741 8.948 3.056 233 HA LEU 37 HA LEU 37 -9.458 9.868 2.390 234 HB2 LEU 37 2HB LEU 37 -7.563 11.528 2.524 235 HB3 LEU 37 1HB LEU 37 -6.814 10.711 1.170 236 HG LEU 37 HG LEU 37 -8.078 12.870 0.678 237 HD11 LEU 37 1HD1 LEU 37 -8.940 10.443 -0.891 238 HD12 LEU 37 2HD1 LEU 37 -7.395 11.276 -1.070 239 HD13 LEU 37 3HD1 LEU 37 -8.897 12.115 -1.456 240 HD21 LEU 37 3HD2 LEU 37 -10.029 12.397 2.088 241 HD22 LEU 37 1HD2 LEU 37 -10.481 11.076 1.009 242 HD23 LEU 37 2HD2 LEU 37 -10.482 12.740 0.419 243 H GLN 38 H GLN 38 -10.543 8.512 1.072 244 HA GLN 38 HA GLN 38 -9.461 6.228 -0.071 245 HB2 GLN 38 2HB GLN 38 -12.007 7.681 -0.812 246 HB3 GLN 38 1HB GLN 38 -11.590 6.068 -1.372 247 HG2 GLN 38 2HG GLN 38 -11.468 5.374 1.046 248 HG3 GLN 38 1HG GLN 38 -12.164 6.943 1.450 249 HE21 GLN 38 1HE2 GLN 38 -12.745 3.841 0.024 250 HE22 GLN 38 2HE2 GLN 38 -14.464 3.983 -0.089 251 H VAL 39 H VAL 39 -9.171 5.552 -2.236 252 HA VAL 39 HA VAL 39 -8.769 7.661 -4.250 253 HB VAL 39 HB VAL 39 -6.655 6.539 -4.986 254 HG11 VAL 39 1HG1 VAL 39 -6.624 7.585 -2.152 255 HG12 VAL 39 2HG1 VAL 39 -6.566 8.559 -3.621 256 HG13 VAL 39 3HG1 VAL 39 -5.231 7.476 -3.231 257 HG21 VAL 39 3HG2 VAL 39 -7.062 4.337 -3.980 258 HG22 VAL 39 1HG2 VAL 39 -6.904 5.038 -2.369 259 HG23 VAL 39 2HG2 VAL 39 -5.517 5.003 -3.458 260 H CYS 40 H CYS 40 -9.200 7.034 -6.373 261 HA CYS 40 HA CYS 40 -10.508 4.410 -6.673 262 HB2 CYS 40 2HB CYS 40 -11.815 6.432 -7.272 263 HB3 CYS 40 1HB CYS 40 -10.618 6.825 -8.503 264 H GLY 41 H GLY 41 -9.332 2.828 -7.514 265 HA2 GLY 41 2HA GLY 41 -6.811 3.381 -8.810 266 HA3 GLY 41 1HA GLY 41 -7.457 1.797 -8.411 267 H SER 42 H SER 42 -6.134 2.223 -10.758 268 HA SER 42 HA SER 42 -7.620 2.898 -13.022 269 HB2 SER 42 2HB SER 42 -5.958 1.413 -14.237 270 HB3 SER 42 1HB SER 42 -5.240 2.650 -13.203 271 HG SER 42 HG SER 42 -4.467 0.320 -13.080 272 H ASP 43 H ASP 43 -7.825 0.086 -11.043 273 HA ASP 43 HA ASP 43 -9.034 -1.662 -12.972 274 HB2 ASP 43 2HB ASP 43 -7.803 -2.501 -11.019 275 HB3 ASP 43 1HB ASP 43 -8.996 -1.779 -9.944 276 H GLY 44 H GLY 44 -10.200 1.018 -11.231 277 HA2 GLY 44 2HA GLY 44 -12.361 1.944 -11.456 278 HA3 GLY 44 1HA GLY 44 -12.964 0.371 -11.950 279 H ALA 45 H ALA 45 -11.021 0.173 -9.194 280 HA ALA 45 HA ALA 45 -13.399 0.007 -7.455 281 HB1 ALA 45 3HB ALA 45 -12.147 -1.619 -6.125 282 HB2 ALA 45 1HB ALA 45 -10.761 -1.443 -7.202 283 HB3 ALA 45 2HB ALA 45 -12.266 -2.137 -7.808 284 H THR 46 H THR 46 -13.353 0.937 -5.409 285 HA THR 46 HA THR 46 -11.318 3.020 -5.011 286 HB THR 46 HB THR 46 -13.946 2.613 -3.551 287 HG1 THR 46 HG1 THR 46 -13.549 3.472 -5.990 288 HG21 THR 46 3HG2 THR 46 -12.022 4.947 -3.554 289 HG22 THR 46 1HG2 THR 46 -12.327 3.851 -2.203 290 HG23 THR 46 2HG2 THR 46 -13.602 4.927 -2.772 291 H TYR 47 H TYR 47 -9.813 2.909 -3.446 292 HA TYR 47 HA TYR 47 -10.011 0.703 -1.484 293 HB2 TYR 47 2HB TYR 47 -7.560 2.045 -2.661 294 HB3 TYR 47 1HB TYR 47 -7.511 0.860 -1.358 295 HD1 TYR 47 HD2 TYR 47 -8.179 1.360 -4.943 296 HD2 TYR 47 HD1 TYR 47 -7.915 -1.487 -1.786 297 HE1 TYR 47 HE2 TYR 47 -8.197 -0.463 -6.592 298 HE2 TYR 47 HE1 TYR 47 -7.932 -3.319 -3.426 299 HH TYR 47 HH TYR 47 -8.665 -3.733 -5.717 300 H ARG 48 H ARG 48 -8.705 1.135 0.571 301 HA ARG 48 HA ARG 48 -9.982 2.996 2.127 302 HB2 ARG 48 2HB ARG 48 -8.805 1.226 3.185 303 HB3 ARG 48 1HB ARG 48 -7.277 1.704 2.456 304 HG2 ARG 48 2HG ARG 48 -7.226 3.715 3.837 305 HG3 ARG 48 1HG ARG 48 -8.781 3.277 4.548 306 HD2 ARG 48 2HD ARG 48 -6.729 2.719 5.923 307 HD3 ARG 48 1HD ARG 48 -7.861 1.399 5.648 308 HE ARG 48 HE ARG 48 -6.286 0.331 4.328 309 HH11 ARG 48 1HH1 ARG 48 -5.150 3.517 5.012 310 HH12 ARG 48 2HH1 ARG 48 -3.513 3.114 4.654 311 HH21 ARG 48 1HH2 ARG 48 -4.189 -0.169 3.889 312 HH22 ARG 48 2HH2 ARG 48 -2.964 1.042 4.040 313 H ASP 49 H ASP 49 -6.654 3.413 0.869 314 HA ASP 49 HA ASP 49 -7.106 6.161 0.253 315 HB2 ASP 49 2HB ASP 49 -5.313 7.064 1.785 316 HB3 ASP 49 1HB ASP 49 -6.806 6.585 2.582 317 H GLU 50 H GLU 50 -4.756 7.232 -0.146 318 HA GLU 50 HA GLU 50 -3.663 5.954 -2.361 319 HB2 GLU 50 2HB GLU 50 -3.407 8.364 -1.881 320 HB3 GLU 50 1HB GLU 50 -2.323 7.981 -0.551 321 HG2 GLU 50 2HG GLU 50 -0.944 8.634 -2.334 322 HG3 GLU 50 1HG GLU 50 -0.814 6.881 -2.253 323 H CYS 51 H CYS 51 -2.475 5.983 0.996 324 HA CYS 51 HA CYS 51 -0.111 4.515 0.627 325 HB2 CYS 51 2HB CYS 51 -0.611 5.662 2.731 326 HB3 CYS 51 1HB CYS 51 -1.953 4.565 3.035 327 H GLU 52 H GLU 52 -3.409 3.393 1.305 328 HA GLU 52 HA GLU 52 -2.931 0.625 1.349 329 HB2 GLU 52 2HB GLU 52 -5.058 1.678 2.049 330 HB3 GLU 52 1HB GLU 52 -5.398 2.096 0.377 331 HG2 GLU 52 2HG GLU 52 -6.685 0.166 0.960 332 HG3 GLU 52 1HG GLU 52 -5.431 -0.324 -0.177 333 H LEU 53 H LEU 53 -3.660 2.808 -1.355 334 HA LEU 53 HA LEU 53 -3.892 0.850 -3.366 335 HB2 LEU 53 2HB LEU 53 -4.681 3.178 -3.575 336 HB3 LEU 53 1HB LEU 53 -3.020 3.733 -3.643 337 HG LEU 53 HG LEU 53 -3.966 1.750 -5.691 338 HD11 LEU 53 1HD1 LEU 53 -4.747 3.563 -7.128 339 HD12 LEU 53 2HD1 LEU 53 -4.495 4.717 -5.817 340 HD13 LEU 53 3HD1 LEU 53 -5.713 3.451 -5.657 341 HD21 LEU 53 3HD2 LEU 53 -2.376 2.979 -7.118 342 HD22 LEU 53 1HD2 LEU 53 -1.604 2.336 -5.670 343 HD23 LEU 53 2HD2 LEU 53 -2.004 4.051 -5.767 344 H ARG 54 H ARG 54 -1.051 2.754 -2.307 345 HA ARG 54 HA ARG 54 0.747 1.713 -4.229 346 HB2 ARG 54 2HB ARG 54 1.703 2.453 -1.474 347 HB3 ARG 54 1HB ARG 54 2.491 2.706 -3.023 348 HG2 ARG 54 2HG ARG 54 0.226 4.265 -1.813 349 HG3 ARG 54 1HG ARG 54 1.843 4.827 -2.228 350 HD2 ARG 54 2HD ARG 54 -0.181 3.878 -4.253 351 HD3 ARG 54 1HD ARG 54 0.030 5.562 -3.789 352 HE ARG 54 HE ARG 54 2.432 4.266 -4.718 353 HH11 ARG 54 1HH1 ARG 54 -0.377 6.077 -5.575 354 HH12 ARG 54 2HH1 ARG 54 0.328 6.670 -7.041 355 HH21 ARG 54 1HH2 ARG 54 3.314 5.027 -6.632 356 HH22 ARG 54 2HH2 ARG 54 2.383 6.091 -7.626 357 H ALA 55 H ALA 55 -0.192 0.613 -1.009 358 HA ALA 55 HA ALA 55 1.540 -1.627 -0.858 359 HB1 ALA 55 3HB ALA 55 0.407 -0.668 1.098 360 HB2 ALA 55 1HB ALA 55 0.084 -2.395 0.940 361 HB3 ALA 55 2HB ALA 55 -1.144 -1.220 0.467 362 H ALA 56 H ALA 56 -1.727 -1.192 -2.159 363 HA ALA 56 HA ALA 56 -2.362 -3.868 -2.699 364 HB1 ALA 56 3HB ALA 56 -4.001 -2.049 -2.811 365 HB2 ALA 56 1HB ALA 56 -3.989 -3.003 -4.296 366 HB3 ALA 56 2HB ALA 56 -3.206 -1.423 -4.257 367 H ARG 57 H ARG 57 -0.608 -1.483 -4.672 368 HA ARG 57 HA ARG 57 -0.200 -3.142 -6.929 369 HB2 ARG 57 2HB ARG 57 0.149 -0.654 -6.865 370 HB3 ARG 57 1HB ARG 57 1.627 -0.931 -5.953 371 HG2 ARG 57 2HG ARG 57 2.607 -2.126 -7.823 372 HG3 ARG 57 1HG ARG 57 1.099 -1.999 -8.731 373 HD2 ARG 57 2HD ARG 57 1.331 0.488 -8.623 374 HD3 ARG 57 1HD ARG 57 2.919 0.259 -7.894 375 HE ARG 57 HE ARG 57 3.017 -1.179 -10.215 376 HH11 ARG 57 1HH1 ARG 57 2.333 2.105 -9.412 377 HH12 ARG 57 2HH1 ARG 57 2.915 2.707 -10.926 378 HH21 ARG 57 1HH2 ARG 57 3.765 -0.379 -12.160 379 HH22 ARG 57 2HH2 ARG 57 3.717 1.323 -12.454 380 H CYS 58 H CYS 58 1.738 -2.617 -3.999 381 HA CYS 58 HA CYS 58 3.834 -4.434 -4.625 382 HB2 CYS 58 2HB CYS 58 4.095 -2.762 -2.858 383 HB3 CYS 58 1HB CYS 58 2.792 -3.497 -1.933 384 H ARG 59 H ARG 59 0.618 -4.830 -3.398 385 HA ARG 59 HA ARG 59 1.004 -7.605 -2.606 386 HB2 ARG 59 2HB ARG 59 -0.428 -6.098 -1.270 387 HB3 ARG 59 1HB ARG 59 -1.484 -5.872 -2.653 388 HG2 ARG 59 2HG ARG 59 -2.457 -7.409 -1.049 389 HG3 ARG 59 1HG ARG 59 -2.120 -8.232 -2.572 390 HD2 ARG 59 2HD ARG 59 -0.205 -9.314 -1.652 391 HD3 ARG 59 1HD ARG 59 -0.264 -8.316 -0.198 392 HE ARG 59 HE ARG 59 -2.218 -9.507 0.489 393 HH11 ARG 59 1HH1 ARG 59 -0.619 -10.884 -2.240 394 HH12 ARG 59 2HH1 ARG 59 -1.378 -12.424 -2.028 395 HH21 ARG 59 1HH2 ARG 59 -3.176 -11.498 0.723 396 HH22 ARG 59 2HH2 ARG 59 -2.799 -12.759 -0.400 397 H GLY 60 H GLY 60 1.684 -7.641 -5.142 398 HA2 GLY 60 2HA GLY 60 1.320 -8.867 -7.050 399 HA3 GLY 60 1HA GLY 60 -0.060 -9.567 -6.230 400 H HIS 61 H HIS 61 0.262 -6.117 -7.024 401 HA HIS 61 HA HIS 61 -1.573 -6.485 -9.303 402 HB2 HIS 61 2HB HIS 61 -1.936 -4.438 -7.101 403 HB3 HIS 61 1HB HIS 61 -2.849 -4.459 -8.605 404 HD1 HIS 61 HD1 HIS 61 -2.538 -6.196 -5.318 405 HD2 HIS 61 HD2 HIS 61 -4.825 -6.458 -8.773 406 HE1 HIS 61 HE1 HIS 61 -4.435 -7.737 -4.750 407 HE2 HIS 61 HE2 HIS 61 -5.732 -7.982 -6.891 408 HA PRO 62 HA PRO 62 2.212 -3.938 -10.380 409 HB2 PRO 62 2HB PRO 62 1.721 -5.307 -12.979 410 HB3 PRO 62 1HB PRO 62 3.229 -5.100 -12.081 411 HG2 PRO 62 2HG PRO 62 2.006 -7.467 -12.151 412 HG3 PRO 62 1HG PRO 62 2.783 -6.894 -10.662 413 HD2 PRO 62 2HD PRO 62 -0.126 -6.926 -11.395 414 HD3 PRO 62 1HD PRO 62 0.649 -7.317 -9.846 415 H ASP 63 H ASP 63 -0.949 -4.253 -11.869 416 HA ASP 63 HA ASP 63 -0.486 -1.909 -13.575 417 HB2 ASP 63 2HB ASP 63 -2.862 -3.781 -13.468 418 HB3 ASP 63 1HB ASP 63 -2.599 -2.510 -14.660 419 H LEU 64 H LEU 64 -1.516 -2.394 -10.473 420 HA LEU 64 HA LEU 64 -3.891 -0.763 -10.485 421 HB2 LEU 64 2HB LEU 64 -3.099 -2.679 -8.828 422 HB3 LEU 64 1HB LEU 64 -2.367 -1.340 -7.970 423 HG LEU 64 HG LEU 64 -4.538 -1.893 -7.016 424 HD11 LEU 64 1HD1 LEU 64 -5.602 0.289 -7.064 425 HD12 LEU 64 2HD1 LEU 64 -4.667 0.733 -8.492 426 HD13 LEU 64 3HD1 LEU 64 -3.849 0.449 -6.955 427 HD21 LEU 64 3HD2 LEU 64 -6.612 -1.601 -8.295 428 HD22 LEU 64 1HD2 LEU 64 -5.597 -2.878 -8.963 429 HD23 LEU 64 2HD2 LEU 64 -5.665 -1.302 -9.753 430 H SER 65 H SER 65 -3.751 1.347 -10.864 431 HA SER 65 HA SER 65 -1.983 2.985 -9.188 432 HB2 SER 65 2HB SER 65 -2.210 3.322 -12.197 433 HB3 SER 65 1HB SER 65 -1.382 4.436 -11.111 434 HG SER 65 HG SER 65 -0.153 2.417 -10.487 435 H VAL 66 H VAL 66 -2.734 5.166 -8.883 436 HA VAL 66 HA VAL 66 -5.607 5.304 -8.833 437 HB VAL 66 HB VAL 66 -4.325 6.152 -6.946 438 HG11 VAL 66 1HG1 VAL 66 -3.258 8.258 -8.830 439 HG12 VAL 66 2HG1 VAL 66 -2.338 6.929 -8.127 440 HG13 VAL 66 3HG1 VAL 66 -2.988 8.197 -7.087 441 HG21 VAL 66 3HG2 VAL 66 -5.810 8.368 -8.373 442 HG22 VAL 66 1HG2 VAL 66 -5.442 8.317 -6.649 443 HG23 VAL 66 2HG2 VAL 66 -6.529 7.120 -7.354 444 H MET 67 H MET 67 -6.963 6.323 -10.190 445 HA MET 67 HA MET 67 -5.884 7.947 -12.384 446 HB2 MET 67 2HB MET 67 -8.650 6.849 -11.829 447 HB3 MET 67 1HB MET 67 -8.306 7.939 -13.163 448 HG2 MET 67 2HG MET 67 -6.726 6.311 -14.084 449 HG3 MET 67 1HG MET 67 -7.090 5.214 -12.751 450 HE1 MET 67 3HE MET 67 -7.493 3.457 -14.842 451 HE2 MET 67 1HE MET 67 -7.370 4.729 -16.060 452 HE3 MET 67 2HE MET 67 -8.780 3.671 -16.029 453 H TYR 68 H TYR 68 -8.464 8.227 -9.947 454 HA TYR 68 HA TYR 68 -7.677 10.995 -9.458 455 HB2 TYR 68 2HB TYR 68 -10.052 11.752 -9.474 456 HB3 TYR 68 1HB TYR 68 -9.474 11.273 -11.062 457 HD1 TYR 68 HD2 TYR 68 -10.265 9.161 -12.092 458 HD2 TYR 68 HD1 TYR 68 -11.842 10.559 -8.384 459 HE1 TYR 68 HE2 TYR 68 -12.176 7.632 -12.333 460 HE2 TYR 68 HE1 TYR 68 -13.753 9.034 -8.620 461 HH TYR 68 HH TYR 68 -13.835 6.519 -10.899 462 H ARG 69 H ARG 69 -8.338 11.771 -7.356 463 HA ARG 69 HA ARG 69 -8.483 9.527 -5.493 464 HB2 ARG 69 2HB ARG 69 -7.674 12.407 -5.092 465 HB3 ARG 69 1HB ARG 69 -7.781 11.232 -3.780 466 HG2 ARG 69 2HG ARG 69 -6.145 9.809 -4.912 467 HG3 ARG 69 1HG ARG 69 -6.037 10.977 -6.226 468 HD2 ARG 69 2HD ARG 69 -5.151 12.646 -4.667 469 HD3 ARG 69 1HD ARG 69 -5.272 11.477 -3.347 470 HE ARG 69 HE ARG 69 -3.574 10.162 -4.425 471 HH11 ARG 69 1HH1 ARG 69 -3.971 13.351 -5.689 472 HH12 ARG 69 2HH1 ARG 69 -2.474 13.300 -6.553 473 HH21 ARG 69 1HH2 ARG 69 -1.706 10.098 -5.560 474 HH22 ARG 69 2HH2 ARG 69 -1.217 11.461 -6.511 475 H GLY 70 H GLY 70 -9.803 9.497 -3.661 476 HA2 GLY 70 2HA GLY 70 -11.860 10.168 -2.547 477 HA3 GLY 70 1HA GLY 70 -12.412 10.818 -4.089 478 H ARG 71 H ARG 71 -14.325 9.399 -3.601 479 HA ARG 71 HA ARG 71 -13.858 6.560 -4.104 480 HB2 ARG 71 2HB ARG 71 -15.486 7.161 -2.384 481 HB3 ARG 71 1HB ARG 71 -16.424 8.072 -3.557 482 HG2 ARG 71 2HG ARG 71 -17.144 6.125 -4.665 483 HG3 ARG 71 1HG ARG 71 -15.912 5.128 -3.892 484 HD2 ARG 71 2HD ARG 71 -18.203 4.785 -2.977 485 HD3 ARG 71 1HD ARG 71 -17.023 5.286 -1.768 486 HE ARG 71 HE ARG 71 -18.018 7.455 -1.752 487 HH11 ARG 71 1HH1 ARG 71 -19.775 5.104 -3.558 488 HH12 ARG 71 2HH1 ARG 71 -21.251 6.000 -3.492 489 HH21 ARG 71 1HH2 ARG 71 -19.933 8.576 -1.647 490 HH22 ARG 71 2HH2 ARG 71 -21.332 7.951 -2.452 491 H CYS 72 H CYS 72 -14.576 5.440 -5.915 492 HA CYS 72 HA CYS 72 -14.217 6.687 -8.361 493 HB2 CYS 72 2HB CYS 72 -15.652 4.087 -7.791 494 HB3 CYS 72 1HB CYS 72 -15.120 4.612 -9.387 495 H ARG 73 H ARG 73 -15.406 8.366 -8.964 496 HA ARG 73 HA ARG 73 -18.326 8.025 -9.255 497 HB2 ARG 73 2HB ARG 73 -18.409 10.551 -9.158 498 HB3 ARG 73 1HB ARG 73 -17.935 9.767 -7.657 499 HG2 ARG 73 2HG ARG 73 -15.553 10.233 -8.234 500 HG3 ARG 73 1HG ARG 73 -16.119 11.149 -9.632 501 HD2 ARG 73 2HD ARG 73 -16.774 11.743 -6.745 502 HD3 ARG 73 1HD ARG 73 -15.592 12.604 -7.726 503 HE ARG 73 HE ARG 73 -18.444 12.560 -8.472 504 HH11 ARG 73 1HH1 ARG 73 -15.539 14.282 -7.790 505 HH12 ARG 73 2HH1 ARG 73 -16.253 15.823 -8.105 506 HH21 ARG 73 1HH2 ARG 73 -19.340 14.529 -8.890 507 HH22 ARG 73 2HH2 ARG 73 -18.385 15.960 -8.748 508 H LYS 74 H LYS 74 -18.821 7.656 -11.364 509 HA LYS 74 HA LYS 74 -17.462 9.197 -13.456 510 HB2 LYS 74 2HB LYS 74 -16.111 7.145 -13.053 511 HB3 LYS 74 1HB LYS 74 -17.511 6.168 -13.468 512 HG2 LYS 74 2HG LYS 74 -17.481 7.069 -15.741 513 HG3 LYS 74 1HG LYS 74 -16.099 8.088 -15.322 514 HD2 LYS 74 2HD LYS 74 -14.748 6.109 -14.879 515 HD3 LYS 74 1HD LYS 74 -16.129 5.063 -15.219 516 HE2 LYS 74 2HE LYS 74 -16.173 5.903 -17.529 517 HE3 LYS 74 1HE LYS 74 -14.781 6.927 -17.177 518 HZ1 LYS 74 3HZ LYS 74 -14.781 3.966 -16.979 519 HZ2 LYS 74 1HZ LYS 74 -13.450 4.989 -16.776 520 HZ3 LYS 74 2HZ LYS 74 -14.179 4.847 -18.291 Start of MODEL 12 1 H1 SER 1 1H SER 1 6.178 5.066 11.802 2 H2 SER 1 2H SER 1 7.230 5.524 13.045 3 H3 SER 1 3H SER 1 6.129 4.261 13.291 4 HA SER 1 HA SER 1 7.233 2.894 11.679 5 HB2 SER 1 2HB SER 1 9.412 3.684 10.709 6 HB3 SER 1 1HB SER 1 8.016 4.596 10.141 7 HG SER 1 HG SER 1 9.450 6.130 10.678 8 H ASP 2 H ASP 2 8.132 1.331 12.866 9 HA ASP 2 HA ASP 2 9.302 1.926 15.421 10 HB2 ASP 2 2HB ASP 2 8.843 -0.674 13.949 11 HB3 ASP 2 1HB ASP 2 9.548 -0.583 15.563 12 H SER 3 H SER 3 11.316 0.692 16.109 13 HA SER 3 HA SER 3 13.487 1.556 14.373 14 HB2 SER 3 2HB SER 3 13.541 0.462 17.199 15 HB3 SER 3 1HB SER 3 14.927 1.128 16.337 16 HG SER 3 HG SER 3 12.533 2.569 16.859 17 H CYS 4 H CYS 4 14.730 0.249 13.172 18 HA CYS 4 HA CYS 4 14.373 -2.670 13.397 19 HB2 CYS 4 2HB CYS 4 15.809 -1.122 11.224 20 HB3 CYS 4 1HB CYS 4 15.269 -2.796 11.164 21 H ASP 5 H ASP 5 15.929 -3.913 14.291 22 HA ASP 5 HA ASP 5 18.528 -2.773 14.938 23 HB2 ASP 5 2HB ASP 5 17.324 -4.223 16.551 24 HB3 ASP 5 1HB ASP 5 17.447 -5.566 15.419 25 H GLY 6 H GLY 6 20.054 -2.701 13.385 26 HA2 GLY 6 2HA GLY 6 21.543 -3.448 11.786 27 HA3 GLY 6 1HA GLY 6 20.892 -5.066 11.989 28 H VAL 7 H VAL 7 18.179 -4.449 11.290 29 HA VAL 7 HA VAL 7 18.332 -4.840 8.499 30 HB VAL 7 HB VAL 7 15.816 -4.037 9.967 31 HG11 VAL 7 1HG1 VAL 7 15.625 -4.205 7.541 32 HG12 VAL 7 2HG1 VAL 7 14.726 -5.505 8.321 33 HG13 VAL 7 3HG1 VAL 7 16.293 -5.838 7.584 34 HG21 VAL 7 3HG2 VAL 7 16.819 -5.748 11.335 35 HG22 VAL 7 1HG2 VAL 7 17.132 -6.759 9.921 36 HG23 VAL 7 2HG2 VAL 7 15.474 -6.457 10.441 37 H GLU 8 H GLU 8 17.743 -3.548 6.772 38 HA GLU 8 HA GLU 8 17.566 -0.656 7.278 39 HB2 GLU 8 2HB GLU 8 18.178 -0.393 4.877 40 HB3 GLU 8 1HB GLU 8 19.408 -1.213 5.822 41 HG2 GLU 8 2HG GLU 8 17.402 -2.724 4.167 42 HG3 GLU 8 1HG GLU 8 18.901 -2.102 3.486 43 H CYS 9 H CYS 9 15.495 0.018 7.417 44 HA CYS 9 HA CYS 9 13.636 -0.665 5.281 45 HB2 CYS 9 2HB CYS 9 13.069 -1.377 8.165 46 HB3 CYS 9 1HB CYS 9 11.859 -1.379 6.881 47 H GLY 10 H GLY 10 11.346 0.332 5.954 48 HA2 GLY 10 2HA GLY 10 10.548 2.415 7.194 49 HA3 GLY 10 1HA GLY 10 11.945 3.182 6.447 50 HA PRO 11 HA PRO 11 9.530 4.151 2.833 51 HB2 PRO 11 2HB PRO 11 11.847 3.278 1.185 52 HB3 PRO 11 1HB PRO 11 11.029 4.843 1.243 53 HG2 PRO 11 2HG PRO 11 13.443 4.523 2.328 54 HG3 PRO 11 1HG PRO 11 12.219 5.545 3.109 55 HD2 PRO 11 2HD PRO 11 13.062 2.741 3.786 56 HD3 PRO 11 1HD PRO 11 12.714 4.103 4.873 57 H GLY 12 H GLY 12 8.004 2.430 2.987 58 HA2 GLY 12 2HA GLY 12 6.820 0.889 1.637 59 HA3 GLY 12 1HA GLY 12 8.326 0.435 0.859 60 H LYS 13 H LYS 13 9.258 0.338 3.917 61 HA LYS 13 HA LYS 13 8.083 -2.290 4.551 62 HB2 LYS 13 2HB LYS 13 11.036 -1.645 4.529 63 HB3 LYS 13 1HB LYS 13 10.354 -3.077 5.286 64 HG2 LYS 13 2HG LYS 13 9.523 -3.834 3.114 65 HG3 LYS 13 1HG LYS 13 10.200 -2.395 2.359 66 HD2 LYS 13 2HD LYS 13 11.719 -4.602 3.753 67 HD3 LYS 13 1HD LYS 13 11.721 -4.246 2.025 68 HE2 LYS 13 2HE LYS 13 12.845 -2.141 2.410 69 HE3 LYS 13 1HE LYS 13 12.712 -2.344 4.155 70 HZ1 LYS 13 3HZ LYS 13 14.132 -4.333 3.943 71 HZ2 LYS 13 1HZ LYS 13 14.912 -2.906 3.465 72 HZ3 LYS 13 2HZ LYS 13 14.340 -3.993 2.301 73 H ALA 14 H ALA 14 7.585 -2.570 6.637 74 HA ALA 14 HA ALA 14 8.803 -0.764 8.640 75 HB1 ALA 14 3HB ALA 14 6.048 -2.014 8.713 76 HB2 ALA 14 1HB ALA 14 6.405 -0.326 8.343 77 HB3 ALA 14 2HB ALA 14 6.747 -0.967 9.949 78 H CYS 15 H CYS 15 9.817 -1.721 10.357 79 HA CYS 15 HA CYS 15 9.894 -4.664 10.342 80 HB2 CYS 15 2HB CYS 15 11.912 -4.424 11.775 81 HB3 CYS 15 1HB CYS 15 12.081 -3.640 10.210 82 H ARG 16 H ARG 16 8.813 -5.767 11.783 83 HA ARG 16 HA ARG 16 7.938 -4.431 14.269 84 HB2 ARG 16 2HB ARG 16 6.169 -4.644 12.454 85 HB3 ARG 16 1HB ARG 16 6.281 -6.387 12.656 86 HG2 ARG 16 2HG ARG 16 5.574 -6.169 14.987 87 HG3 ARG 16 1HG ARG 16 5.481 -4.417 14.798 88 HD2 ARG 16 2HD ARG 16 3.809 -6.499 13.389 89 HD3 ARG 16 1HD ARG 16 3.266 -5.350 14.608 90 HE ARG 16 HE ARG 16 3.864 -4.780 11.808 91 HH11 ARG 16 1HH1 ARG 16 2.947 -3.583 14.896 92 HH12 ARG 16 2HH1 ARG 16 2.237 -2.147 14.252 93 HH21 ARG 16 1HH2 ARG 16 2.926 -2.919 10.986 94 HH22 ARG 16 2HH2 ARG 16 2.220 -1.780 12.074 95 H MET 17 H MET 17 7.897 -5.701 16.135 96 HA MET 17 HA MET 17 9.593 -8.013 16.116 97 HB2 MET 17 2HB MET 17 7.893 -6.838 18.332 98 HB3 MET 17 1HB MET 17 9.081 -8.113 18.551 99 HG2 MET 17 2HG MET 17 9.919 -5.500 17.366 100 HG3 MET 17 1HG MET 17 9.683 -5.641 19.105 101 HE1 MET 17 3HE MET 17 11.197 -8.237 16.444 102 HE2 MET 17 1HE MET 17 12.915 -7.928 16.689 103 HE3 MET 17 2HE MET 17 11.881 -6.670 16.009 104 H LEU 18 H LEU 18 8.790 -9.738 15.076 105 HA LEU 18 HA LEU 18 6.220 -10.862 16.006 106 HB2 LEU 18 2HB LEU 18 7.376 -11.002 13.210 107 HB3 LEU 18 1HB LEU 18 5.885 -11.763 13.737 108 HG LEU 18 HG LEU 18 6.368 -8.776 13.637 109 HD11 LEU 18 1HD1 LEU 18 4.845 -8.772 11.735 110 HD12 LEU 18 2HD1 LEU 18 4.730 -10.530 11.807 111 HD13 LEU 18 3HD1 LEU 18 6.266 -9.762 11.400 112 HD21 LEU 18 3HD2 LEU 18 3.972 -8.583 14.063 113 HD22 LEU 18 1HD2 LEU 18 4.781 -9.422 15.386 114 HD23 LEU 18 2HD2 LEU 18 3.843 -10.337 14.204 115 H GLY 19 H GLY 19 6.756 -12.560 17.260 116 HA2 GLY 19 2HA GLY 19 7.530 -14.733 17.666 117 HA3 GLY 19 1HA GLY 19 8.448 -14.672 16.171 118 H GLY 20 H GLY 20 10.308 -12.954 16.278 119 HA2 GLY 20 2HA GLY 20 11.437 -12.192 18.730 120 HA3 GLY 20 1HA GLY 20 12.110 -13.757 18.307 121 H ARG 21 H ARG 21 11.881 -12.908 15.360 122 HA ARG 21 HA ARG 21 14.466 -11.513 15.306 123 HB2 ARG 21 2HB ARG 21 13.033 -12.923 13.040 124 HB3 ARG 21 1HB ARG 21 14.696 -12.347 13.036 125 HG2 ARG 21 2HG ARG 21 15.251 -13.964 14.799 126 HG3 ARG 21 1HG ARG 21 13.587 -14.549 14.773 127 HD2 ARG 21 2HD ARG 21 15.626 -14.711 12.553 128 HD3 ARG 21 1HD ARG 21 14.941 -16.050 13.473 129 HE ARG 21 HE ARG 21 13.325 -14.372 11.661 130 HH11 ARG 21 1HH1 ARG 21 14.193 -17.460 12.924 131 HH12 ARG 21 2HH1 ARG 21 13.123 -18.309 11.865 132 HH21 ARG 21 1HH2 ARG 21 11.945 -15.466 10.333 133 HH22 ARG 21 2HH2 ARG 21 11.861 -17.190 10.419 134 HA PRO 22 HA PRO 22 12.526 -7.768 13.791 135 HB2 PRO 22 2HB PRO 22 14.730 -6.598 12.660 136 HB3 PRO 22 1HB PRO 22 14.404 -6.595 14.396 137 HG2 PRO 22 2HG PRO 22 16.225 -8.369 12.812 138 HG3 PRO 22 1HG PRO 22 16.493 -7.614 14.395 139 HD2 PRO 22 2HD PRO 22 15.792 -10.222 14.120 140 HD3 PRO 22 1HD PRO 22 15.289 -9.242 15.513 141 H ARG 23 H ARG 23 11.196 -8.709 12.221 142 HA ARG 23 HA ARG 23 12.312 -8.947 9.504 143 HB2 ARG 23 2HB ARG 23 10.132 -10.134 8.999 144 HB3 ARG 23 1HB ARG 23 11.217 -10.970 10.100 145 HG2 ARG 23 2HG ARG 23 9.879 -10.282 12.002 146 HG3 ARG 23 1HG ARG 23 8.833 -9.326 10.951 147 HD2 ARG 23 2HD ARG 23 9.203 -12.302 10.632 148 HD3 ARG 23 1HD ARG 23 7.948 -11.593 11.647 149 HE ARG 23 HE ARG 23 7.333 -10.388 9.438 150 HH11 ARG 23 1HH1 ARG 23 8.486 -13.622 9.681 151 HH12 ARG 23 2HH1 ARG 23 7.601 -14.156 8.296 152 HH21 ARG 23 1HH2 ARG 23 6.191 -11.076 7.694 153 HH22 ARG 23 2HH2 ARG 23 6.297 -12.729 7.186 154 H CYS 24 H CYS 24 11.483 -7.787 7.802 155 HA CYS 24 HA CYS 24 9.748 -5.527 8.536 156 HB2 CYS 24 2HB CYS 24 11.698 -5.879 6.258 157 HB3 CYS 24 1HB CYS 24 10.589 -4.517 6.382 158 H GLU 25 H GLU 25 7.930 -5.038 7.471 159 HA GLU 25 HA GLU 25 6.758 -7.166 5.800 160 HB2 GLU 25 2HB GLU 25 5.397 -5.050 7.500 161 HB3 GLU 25 1HB GLU 25 4.581 -6.316 6.595 162 HG2 GLU 25 2HG GLU 25 6.521 -6.852 8.838 163 HG3 GLU 25 1HG GLU 25 4.779 -6.707 9.060 164 H CYS 26 H CYS 26 5.399 -6.513 4.009 165 HA CYS 26 HA CYS 26 6.254 -4.196 2.578 166 HB2 CYS 26 2HB CYS 26 5.331 -6.279 1.504 167 HB3 CYS 26 1HB CYS 26 3.739 -5.822 2.099 168 H ALA 27 H ALA 27 5.884 -2.271 3.547 169 HA ALA 27 HA ALA 27 3.356 -1.843 4.975 170 HB1 ALA 27 3HB ALA 27 5.420 -1.506 6.239 171 HB2 ALA 27 1HB ALA 27 4.497 -0.008 6.104 172 HB3 ALA 27 2HB ALA 27 5.924 -0.260 5.097 173 HA PRO 28 HA PRO 28 1.971 1.021 1.818 174 HB2 PRO 28 2HB PRO 28 0.030 2.013 3.774 175 HB3 PRO 28 1HB PRO 28 -0.254 1.085 2.302 176 HG2 PRO 28 2HG PRO 28 -0.620 0.043 4.775 177 HG3 PRO 28 1HG PRO 28 -0.104 -0.939 3.391 178 HD2 PRO 28 2HD PRO 28 1.552 0.213 5.617 179 HD3 PRO 28 1HD PRO 28 1.622 -1.405 4.885 180 H ASP 29 H ASP 29 4.262 1.974 2.888 181 HA ASP 29 HA ASP 29 4.258 4.219 4.498 182 HB2 ASP 29 2HB ASP 29 6.325 3.166 3.792 183 HB3 ASP 29 1HB ASP 29 6.021 3.600 2.113 184 H CYS 30 H CYS 30 3.589 6.268 4.298 185 HA CYS 30 HA CYS 30 3.190 7.650 1.832 186 HB2 CYS 30 2HB CYS 30 0.733 7.703 1.832 187 HB3 CYS 30 1HB CYS 30 1.320 6.054 1.646 188 H SER 31 H SER 31 4.448 8.319 4.248 189 HA SER 31 HA SER 31 2.856 9.729 6.095 190 HB2 SER 31 2HB SER 31 5.168 9.073 6.603 191 HB3 SER 31 1HB SER 31 5.767 10.206 5.391 192 HG SER 31 HG SER 31 5.823 11.520 7.046 193 H GLY 32 H GLY 32 1.449 11.256 5.404 194 HA2 GLY 32 2HA GLY 32 1.558 13.772 5.040 195 HA3 GLY 32 1HA GLY 32 2.450 13.372 3.579 196 H LEU 33 H LEU 33 0.392 10.927 3.631 197 HA LEU 33 HA LEU 33 -1.591 12.306 1.972 198 HB2 LEU 33 2HB LEU 33 -0.956 9.379 2.366 199 HB3 LEU 33 1HB LEU 33 -2.282 9.955 1.372 200 HG LEU 33 HG LEU 33 0.639 10.586 0.890 201 HD11 LEU 33 1HD1 LEU 33 -1.189 8.653 -0.535 202 HD12 LEU 33 2HD1 LEU 33 0.170 8.227 0.505 203 HD13 LEU 33 3HD1 LEU 33 0.456 9.068 -1.019 204 HD21 LEU 33 3HD2 LEU 33 -0.828 12.347 0.074 205 HD22 LEU 33 1HD2 LEU 33 -1.825 11.157 -0.767 206 HD23 LEU 33 2HD2 LEU 33 -0.160 11.435 -1.278 207 HA PRO 34 HA PRO 34 -4.521 12.137 5.368 208 HB2 PRO 34 2HB PRO 34 -6.675 13.095 4.012 209 HB3 PRO 34 1HB PRO 34 -5.355 14.128 4.572 210 HG2 PRO 34 2HG PRO 34 -5.837 12.982 1.845 211 HG3 PRO 34 1HG PRO 34 -5.327 14.621 2.292 212 HD2 PRO 34 2HD PRO 34 -3.583 12.734 1.417 213 HD3 PRO 34 1HD PRO 34 -3.121 13.988 2.586 214 H ALA 35 H ALA 35 -5.526 10.363 6.090 215 HA ALA 35 HA ALA 35 -6.234 8.203 4.340 216 HB1 ALA 35 3HB ALA 35 -5.251 7.811 6.539 217 HB2 ALA 35 1HB ALA 35 -6.814 7.008 6.388 218 HB3 ALA 35 2HB ALA 35 -6.678 8.506 7.309 219 H ARG 36 H ARG 36 -7.897 10.922 4.692 220 HA ARG 36 HA ARG 36 -10.528 9.583 4.617 221 HB2 ARG 36 2HB ARG 36 -9.901 12.492 5.176 222 HB3 ARG 36 1HB ARG 36 -11.507 11.773 5.157 223 HG2 ARG 36 2HG ARG 36 -10.924 10.372 7.065 224 HG3 ARG 36 1HG ARG 36 -9.292 11.047 7.073 225 HD2 ARG 36 2HD ARG 36 -11.865 12.559 7.551 226 HD3 ARG 36 1HD ARG 36 -10.666 12.121 8.769 227 HE ARG 36 HE ARG 36 -9.141 13.560 7.208 228 HH11 ARG 36 1HH1 ARG 36 -12.382 14.189 8.182 229 HH12 ARG 36 2HH1 ARG 36 -12.224 15.901 7.988 230 HH21 ARG 36 1HH2 ARG 36 -8.941 15.759 6.990 231 HH22 ARG 36 2HH2 ARG 36 -10.299 16.777 7.323 232 H LEU 37 H LEU 37 -8.280 10.363 2.518 233 HA LEU 37 HA LEU 37 -10.060 11.708 0.587 234 HB2 LEU 37 2HB LEU 37 -7.935 12.852 1.037 235 HB3 LEU 37 1HB LEU 37 -7.050 11.413 0.567 236 HG LEU 37 HG LEU 37 -7.878 11.646 -1.740 237 HD11 LEU 37 1HD1 LEU 37 -10.015 12.722 -1.291 238 HD12 LEU 37 2HD1 LEU 37 -9.066 13.675 -2.429 239 HD13 LEU 37 3HD1 LEU 37 -9.183 14.179 -0.744 240 HD21 LEU 37 3HD2 LEU 37 -5.756 12.680 -1.135 241 HD22 LEU 37 1HD2 LEU 37 -6.594 14.151 -0.645 242 HD23 LEU 37 2HD2 LEU 37 -6.602 13.653 -2.338 243 H GLN 38 H GLN 38 -11.203 10.065 -0.323 244 HA GLN 38 HA GLN 38 -10.234 7.490 -0.915 245 HB2 GLN 38 2HB GLN 38 -12.577 8.997 -2.105 246 HB3 GLN 38 1HB GLN 38 -12.287 7.274 -2.309 247 HG2 GLN 38 2HG GLN 38 -12.516 6.938 0.099 248 HG3 GLN 38 1HG GLN 38 -12.771 8.667 0.322 249 HE21 GLN 38 1HE2 GLN 38 -14.403 8.905 -2.086 250 HE22 GLN 38 2HE2 GLN 38 -15.931 8.214 -1.694 251 H VAL 39 H VAL 39 -9.680 6.499 -2.902 252 HA VAL 39 HA VAL 39 -8.970 8.295 -5.133 253 HB VAL 39 HB VAL 39 -6.780 7.268 -5.403 254 HG11 VAL 39 1HG1 VAL 39 -7.176 8.270 -2.582 255 HG12 VAL 39 2HG1 VAL 39 -6.898 9.263 -4.011 256 HG13 VAL 39 3HG1 VAL 39 -5.635 8.176 -3.434 257 HG21 VAL 39 3HG2 VAL 39 -7.410 5.701 -2.895 258 HG22 VAL 39 1HG2 VAL 39 -5.856 5.723 -3.731 259 HG23 VAL 39 2HG2 VAL 39 -7.276 5.044 -4.527 260 H CYS 40 H CYS 40 -8.578 7.169 -7.182 261 HA CYS 40 HA CYS 40 -9.710 4.432 -7.268 262 HB2 CYS 40 2HB CYS 40 -11.147 6.054 -8.458 263 HB3 CYS 40 1HB CYS 40 -9.789 6.496 -9.486 264 H GLY 41 H GLY 41 -8.452 2.859 -8.038 265 HA2 GLY 41 2HA GLY 41 -5.728 3.590 -8.841 266 HA3 GLY 41 1HA GLY 41 -6.269 2.006 -8.319 267 H SER 42 H SER 42 -4.663 1.901 -10.346 268 HA SER 42 HA SER 42 -5.710 2.191 -12.947 269 HB2 SER 42 2HB SER 42 -3.876 0.600 -13.601 270 HB3 SER 42 1HB SER 42 -3.322 1.951 -12.611 271 HG SER 42 HG SER 42 -2.708 -0.403 -12.097 272 H ASP 43 H ASP 43 -6.410 -0.093 -10.520 273 HA ASP 43 HA ASP 43 -7.403 -2.170 -12.259 274 HB2 ASP 43 2HB ASP 43 -6.512 -2.679 -10.021 275 HB3 ASP 43 1HB ASP 43 -7.783 -1.708 -9.287 276 H GLY 44 H GLY 44 -8.622 0.772 -10.936 277 HA2 GLY 44 2HA GLY 44 -10.632 1.795 -11.678 278 HA3 GLY 44 1HA GLY 44 -11.292 0.206 -12.023 279 H ALA 45 H ALA 45 -10.005 -0.320 -9.135 280 HA ALA 45 HA ALA 45 -12.508 -0.109 -7.753 281 HB1 ALA 45 3HB ALA 45 -11.323 -1.152 -5.888 282 HB2 ALA 45 1HB ALA 45 -9.786 -0.909 -6.719 283 HB3 ALA 45 2HB ALA 45 -10.993 -1.999 -7.399 284 H THR 46 H THR 46 -13.198 1.408 -6.354 285 HA THR 46 HA THR 46 -11.541 3.726 -5.763 286 HB THR 46 HB THR 46 -14.393 3.130 -4.902 287 HG1 THR 46 HG1 THR 46 -15.020 4.140 -6.701 288 HG21 THR 46 3HG2 THR 46 -12.814 5.710 -4.822 289 HG22 THR 46 1HG2 THR 46 -13.311 4.756 -3.424 290 HG23 THR 46 2HG2 THR 46 -14.526 5.547 -4.431 291 H TYR 47 H TYR 47 -10.216 3.736 -4.057 292 HA TYR 47 HA TYR 47 -10.756 1.950 -1.786 293 HB2 TYR 47 2HB TYR 47 -8.229 3.287 -2.757 294 HB3 TYR 47 1HB TYR 47 -8.334 2.502 -1.183 295 HD1 TYR 47 HD1 TYR 47 -8.520 0.085 -1.001 296 HD2 TYR 47 HD2 TYR 47 -8.253 1.961 -4.815 297 HE1 TYR 47 HE1 TYR 47 -8.039 -2.090 -2.030 298 HE2 TYR 47 HE2 TYR 47 -7.771 -0.216 -5.857 299 HH TYR 47 HH TYR 47 -6.975 -2.413 -5.288 300 H ARG 48 H ARG 48 -10.299 2.693 0.387 301 HA ARG 48 HA ARG 48 -11.687 4.989 1.152 302 HB2 ARG 48 2HB ARG 48 -9.475 3.747 2.795 303 HB3 ARG 48 1HB ARG 48 -10.935 4.543 3.371 304 HG2 ARG 48 2HG ARG 48 -10.881 1.926 1.870 305 HG3 ARG 48 1HG ARG 48 -10.972 2.079 3.624 306 HD2 ARG 48 2HD ARG 48 -13.120 3.106 3.508 307 HD3 ARG 48 1HD ARG 48 -12.998 3.313 1.760 308 HE ARG 48 HE ARG 48 -13.682 1.148 1.484 309 HH11 ARG 48 1HH1 ARG 48 -12.730 1.572 4.767 310 HH12 ARG 48 2HH1 ARG 48 -13.326 0.027 5.255 311 HH21 ARG 48 1HH2 ARG 48 -14.440 -0.828 2.115 312 HH22 ARG 48 2HH2 ARG 48 -14.306 -1.312 3.771 313 H ASP 49 H ASP 49 -8.289 4.502 0.502 314 HA ASP 49 HA ASP 49 -7.757 7.287 0.161 315 HB2 ASP 49 2HB ASP 49 -6.026 7.425 1.951 316 HB3 ASP 49 1HB ASP 49 -7.656 7.235 2.591 317 H GLU 50 H GLU 50 -5.295 7.585 -0.307 318 HA GLU 50 HA GLU 50 -4.579 5.705 -2.297 319 HB2 GLU 50 2HB GLU 50 -3.906 8.126 -2.298 320 HB3 GLU 50 1HB GLU 50 -2.722 7.742 -1.052 321 HG2 GLU 50 2HG GLU 50 -1.682 6.108 -2.613 322 HG3 GLU 50 1HG GLU 50 -2.811 6.632 -3.861 323 H CYS 51 H CYS 51 -3.610 6.027 1.081 324 HA CYS 51 HA CYS 51 -1.395 4.247 0.981 325 HB2 CYS 51 2HB CYS 51 -3.189 4.722 3.374 326 HB3 CYS 51 1HB CYS 51 -1.517 4.178 3.389 327 H GLU 52 H GLU 52 -4.858 3.756 1.572 328 HA GLU 52 HA GLU 52 -4.834 0.991 2.065 329 HB2 GLU 52 2HB GLU 52 -6.802 2.483 2.372 330 HB3 GLU 52 1HB GLU 52 -6.957 2.611 0.627 331 HG2 GLU 52 2HG GLU 52 -8.567 1.038 1.499 332 HG3 GLU 52 1HG GLU 52 -7.388 0.200 0.493 333 H LEU 53 H LEU 53 -4.941 2.801 -0.980 334 HA LEU 53 HA LEU 53 -5.053 0.598 -2.746 335 HB2 LEU 53 2HB LEU 53 -5.505 2.947 -3.373 336 HB3 LEU 53 1HB LEU 53 -3.814 3.337 -3.134 337 HG LEU 53 HG LEU 53 -4.629 1.279 -5.179 338 HD11 LEU 53 1HD1 LEU 53 -4.504 4.264 -5.625 339 HD12 LEU 53 2HD1 LEU 53 -5.965 3.276 -5.639 340 HD13 LEU 53 3HD1 LEU 53 -4.725 3.032 -6.868 341 HD21 LEU 53 3HD2 LEU 53 -2.560 2.004 -6.284 342 HD22 LEU 53 1HD2 LEU 53 -2.244 1.453 -4.639 343 HD23 LEU 53 2HD2 LEU 53 -2.277 3.179 -4.999 344 H ARG 54 H ARG 54 -2.305 2.429 -1.440 345 HA ARG 54 HA ARG 54 -0.245 0.911 -2.643 346 HB2 ARG 54 2HB ARG 54 -0.231 2.639 -0.146 347 HB3 ARG 54 1HB ARG 54 1.217 2.020 -0.938 348 HG2 ARG 54 2HG ARG 54 0.935 3.385 -2.809 349 HG3 ARG 54 1HG ARG 54 -0.775 3.651 -2.480 350 HD2 ARG 54 2HD ARG 54 0.260 5.686 -1.954 351 HD3 ARG 54 1HD ARG 54 -0.018 4.914 -0.396 352 HE ARG 54 HE ARG 54 2.392 4.288 -0.468 353 HH11 ARG 54 1HH1 ARG 54 1.246 6.925 -2.373 354 HH12 ARG 54 2HH1 ARG 54 2.763 7.752 -2.335 355 HH21 ARG 54 1HH2 ARG 54 4.331 5.391 -0.389 356 HH22 ARG 54 2HH2 ARG 54 4.484 6.901 -1.212 357 H ALA 55 H ALA 55 -2.224 0.361 0.160 358 HA ALA 55 HA ALA 55 -0.645 -1.780 1.255 359 HB1 ALA 55 3HB ALA 55 -2.213 -0.523 2.654 360 HB2 ALA 55 1HB ALA 55 -2.605 -2.243 2.646 361 HB3 ALA 55 2HB ALA 55 -3.563 -1.115 1.685 362 H ALA 56 H ALA 56 -3.524 -1.575 -0.823 363 HA ALA 56 HA ALA 56 -4.018 -4.300 -1.186 364 HB1 ALA 56 3HB ALA 56 -5.181 -3.651 -3.239 365 HB2 ALA 56 1HB ALA 56 -4.421 -2.059 -3.174 366 HB3 ALA 56 2HB ALA 56 -5.559 -2.547 -1.916 367 H ARG 57 H ARG 57 -1.640 -2.199 -2.691 368 HA ARG 57 HA ARG 57 -0.591 -3.834 -4.675 369 HB2 ARG 57 2HB ARG 57 0.253 -1.604 -4.371 370 HB3 ARG 57 1HB ARG 57 0.755 -1.955 -2.724 371 HG2 ARG 57 2HG ARG 57 2.703 -1.871 -4.098 372 HG3 ARG 57 1HG ARG 57 2.438 -3.550 -3.633 373 HD2 ARG 57 2HD ARG 57 3.051 -3.465 -5.958 374 HD3 ARG 57 1HD ARG 57 1.360 -3.941 -5.831 375 HE ARG 57 HE ARG 57 0.739 -1.757 -6.579 376 HH11 ARG 57 1HH1 ARG 57 4.097 -2.473 -6.825 377 HH12 ARG 57 2HH1 ARG 57 4.397 -1.201 -7.956 378 HH21 ARG 57 1HH2 ARG 57 1.129 -0.130 -8.028 379 HH22 ARG 57 2HH2 ARG 57 2.730 0.112 -8.636 380 H CYS 58 H CYS 58 0.274 -3.747 -1.216 381 HA CYS 58 HA CYS 58 2.045 -5.970 -1.294 382 HB2 CYS 58 2HB CYS 58 0.561 -4.811 1.079 383 HB3 CYS 58 1HB CYS 58 1.959 -5.881 1.158 384 H ARG 59 H ARG 59 -1.417 -5.684 -0.794 385 HA ARG 59 HA ARG 59 -1.932 -8.251 0.255 386 HB2 ARG 59 2HB ARG 59 -3.594 -6.416 0.243 387 HB3 ARG 59 1HB ARG 59 -3.710 -6.537 -1.506 388 HG2 ARG 59 2HG ARG 59 -5.598 -7.647 -0.551 389 HG3 ARG 59 1HG ARG 59 -4.532 -8.873 -1.236 390 HD2 ARG 59 2HD ARG 59 -3.590 -9.229 1.056 391 HD3 ARG 59 1HD ARG 59 -4.825 -8.130 1.677 392 HE ARG 59 HE ARG 59 -5.507 -10.617 0.247 393 HH11 ARG 59 1HH1 ARG 59 -5.943 -8.474 2.913 394 HH12 ARG 59 2HH1 ARG 59 -7.156 -9.466 3.639 395 HH21 ARG 59 1HH2 ARG 59 -7.076 -11.856 1.185 396 HH22 ARG 59 2HH2 ARG 59 -7.817 -11.331 2.659 397 H GLY 60 H GLY 60 -1.417 -7.137 -3.050 398 HA2 GLY 60 2HA GLY 60 -0.340 -9.170 -4.284 399 HA3 GLY 60 1HA GLY 60 -1.950 -9.841 -4.093 400 H HIS 61 H HIS 61 -0.987 -6.509 -4.934 401 HA HIS 61 HA HIS 61 -2.028 -6.944 -7.651 402 HB2 HIS 61 2HB HIS 61 -2.855 -4.703 -5.793 403 HB3 HIS 61 1HB HIS 61 -3.104 -4.649 -7.534 404 HD1 HIS 61 HD1 HIS 61 -4.964 -6.135 -8.516 405 HD2 HIS 61 HD2 HIS 61 -4.540 -6.478 -4.396 406 HE1 HIS 61 HE1 HIS 61 -7.002 -7.366 -7.734 407 HE2 HIS 61 HE2 HIS 61 -6.751 -7.526 -5.232 408 HA PRO 62 HA PRO 62 2.128 -4.865 -7.779 409 HB2 PRO 62 2HB PRO 62 2.983 -6.163 -10.020 410 HB3 PRO 62 1HB PRO 62 3.129 -6.838 -8.394 411 HG2 PRO 62 2HG PRO 62 1.041 -7.381 -10.482 412 HG3 PRO 62 1HG PRO 62 1.912 -8.531 -9.448 413 HD2 PRO 62 2HD PRO 62 -0.601 -7.728 -8.887 414 HD3 PRO 62 1HD PRO 62 0.578 -8.077 -7.606 415 H ASP 63 H ASP 63 -0.422 -5.195 -10.160 416 HA ASP 63 HA ASP 63 0.658 -3.159 -11.925 417 HB2 ASP 63 2HB ASP 63 -2.057 -4.508 -11.909 418 HB3 ASP 63 1HB ASP 63 -1.452 -3.449 -13.179 419 H LEU 64 H LEU 64 -1.251 -3.194 -9.089 420 HA LEU 64 HA LEU 64 -3.051 -1.089 -9.705 421 HB2 LEU 64 2HB LEU 64 -3.459 -2.777 -7.959 422 HB3 LEU 64 1HB LEU 64 -2.155 -2.094 -7.004 423 HG LEU 64 HG LEU 64 -3.414 0.021 -6.802 424 HD11 LEU 64 1HD1 LEU 64 -5.770 0.111 -7.498 425 HD12 LEU 64 2HD1 LEU 64 -5.579 -1.446 -8.306 426 HD13 LEU 64 3HD1 LEU 64 -4.672 -0.041 -8.868 427 HD21 LEU 64 3HD2 LEU 64 -4.972 -2.422 -5.957 428 HD22 LEU 64 1HD2 LEU 64 -5.160 -0.796 -5.296 429 HD23 LEU 64 2HD2 LEU 64 -3.647 -1.669 -5.069 430 H SER 65 H SER 65 -2.408 0.890 -10.173 431 HA SER 65 HA SER 65 -0.704 2.322 -8.222 432 HB2 SER 65 2HB SER 65 0.100 3.758 -10.072 433 HB3 SER 65 1HB SER 65 0.518 2.068 -10.356 434 HG SER 65 HG SER 65 -0.519 2.243 -12.166 435 H VAL 66 H VAL 66 -1.219 4.727 -8.169 436 HA VAL 66 HA VAL 66 -4.116 5.051 -8.198 437 HB VAL 66 HB VAL 66 -2.945 5.763 -6.192 438 HG11 VAL 66 1HG1 VAL 66 -1.519 7.774 -7.939 439 HG12 VAL 66 2HG1 VAL 66 -0.791 6.368 -7.164 440 HG13 VAL 66 3HG1 VAL 66 -1.426 7.686 -6.179 441 HG21 VAL 66 3HG2 VAL 66 -5.007 6.933 -6.815 442 HG22 VAL 66 1HG2 VAL 66 -4.063 8.132 -7.702 443 HG23 VAL 66 2HG2 VAL 66 -3.899 7.999 -5.950 444 H MET 67 H MET 67 -5.224 6.101 -9.726 445 HA MET 67 HA MET 67 -3.800 7.587 -11.799 446 HB2 MET 67 2HB MET 67 -6.664 6.668 -11.533 447 HB3 MET 67 1HB MET 67 -6.125 7.711 -12.840 448 HG2 MET 67 2HG MET 67 -4.561 5.997 -13.581 449 HG3 MET 67 1HG MET 67 -5.071 4.950 -12.256 450 HE1 MET 67 3HE MET 67 -6.519 3.367 -15.630 451 HE2 MET 67 1HE MET 67 -5.385 3.120 -14.303 452 HE3 MET 67 2HE MET 67 -5.058 4.349 -15.525 453 H TYR 68 H TYR 68 -6.615 8.189 -9.672 454 HA TYR 68 HA TYR 68 -5.789 10.960 -9.338 455 HB2 TYR 68 2HB TYR 68 -8.101 11.797 -9.916 456 HB3 TYR 68 1HB TYR 68 -7.153 11.234 -11.285 457 HD1 TYR 68 HD2 TYR 68 -7.724 9.104 -12.403 458 HD2 TYR 68 HD1 TYR 68 -10.147 10.665 -9.259 459 HE1 TYR 68 HE2 TYR 68 -9.548 7.599 -13.063 460 HE2 TYR 68 HE1 TYR 68 -11.974 9.160 -9.924 461 HH TYR 68 HH TYR 68 -11.522 6.575 -12.078 462 H ARG 69 H ARG 69 -6.980 12.081 -7.641 463 HA ARG 69 HA ARG 69 -7.772 10.179 -5.543 464 HB2 ARG 69 2HB ARG 69 -6.765 13.027 -5.342 465 HB3 ARG 69 1HB ARG 69 -7.198 12.012 -3.969 466 HG2 ARG 69 2HG ARG 69 -5.439 10.423 -4.573 467 HG3 ARG 69 1HG ARG 69 -5.015 11.412 -5.970 468 HD2 ARG 69 2HD ARG 69 -4.364 13.241 -4.509 469 HD3 ARG 69 1HD ARG 69 -4.870 12.318 -3.094 470 HE ARG 69 HE ARG 69 -3.067 10.664 -4.042 471 HH11 ARG 69 1HH1 ARG 69 -2.885 14.104 -3.913 472 HH12 ARG 69 2HH1 ARG 69 -1.164 14.113 -3.761 473 HH21 ARG 69 1HH2 ARG 69 -0.880 10.682 -3.838 474 HH22 ARG 69 2HH2 ARG 69 -0.037 12.191 -3.712 475 H GLY 70 H GLY 70 -9.868 9.913 -5.372 476 HA2 GLY 70 2HA GLY 70 -11.811 11.482 -4.461 477 HA3 GLY 70 1HA GLY 70 -11.775 11.974 -6.151 478 H ARG 71 H ARG 71 -14.136 10.989 -5.533 479 HA ARG 71 HA ARG 71 -14.472 8.195 -5.635 480 HB2 ARG 71 2HB ARG 71 -16.272 9.902 -5.131 481 HB3 ARG 71 1HB ARG 71 -16.355 10.232 -6.857 482 HG2 ARG 71 2HG ARG 71 -16.924 7.835 -7.232 483 HG3 ARG 71 1HG ARG 71 -16.973 7.619 -5.481 484 HD2 ARG 71 2HD ARG 71 -18.720 9.429 -5.404 485 HD3 ARG 71 1HD ARG 71 -18.751 9.389 -7.166 486 HE ARG 71 HE ARG 71 -20.033 7.576 -5.393 487 HH11 ARG 71 1HH1 ARG 71 -18.497 7.730 -8.476 488 HH12 ARG 71 2HH1 ARG 71 -19.357 6.365 -9.091 489 HH21 ARG 71 1HH2 ARG 71 -21.149 5.852 -6.213 490 HH22 ARG 71 2HH2 ARG 71 -20.844 5.325 -7.832 491 H CYS 72 H CYS 72 -14.254 6.727 -7.276 492 HA CYS 72 HA CYS 72 -12.830 7.482 -9.579 493 HB2 CYS 72 2HB CYS 72 -12.856 5.184 -8.484 494 HB3 CYS 72 1HB CYS 72 -14.364 4.892 -9.344 495 H ARG 73 H ARG 73 -13.733 8.889 -10.948 496 HA ARG 73 HA ARG 73 -16.530 8.750 -11.666 497 HB2 ARG 73 2HB ARG 73 -16.058 10.823 -12.940 498 HB3 ARG 73 1HB ARG 73 -15.556 10.926 -11.258 499 HG2 ARG 73 2HG ARG 73 -13.234 10.497 -11.923 500 HG3 ARG 73 1HG ARG 73 -13.738 10.404 -13.610 501 HD2 ARG 73 2HD ARG 73 -13.922 12.814 -11.801 502 HD3 ARG 73 1HD ARG 73 -12.800 12.591 -13.142 503 HE ARG 73 HE ARG 73 -15.617 13.279 -13.307 504 HH11 ARG 73 1HH1 ARG 73 -12.808 12.231 -15.018 505 HH12 ARG 73 2HH1 ARG 73 -13.430 12.745 -16.550 506 HH21 ARG 73 1HH2 ARG 73 -16.378 13.924 -15.281 507 HH22 ARG 73 2HH2 ARG 73 -15.407 13.691 -16.695 508 H LYS 74 H LYS 74 -17.403 8.038 -13.519 509 HA LYS 74 HA LYS 74 -15.682 6.747 -15.501 510 HB2 LYS 74 2HB LYS 74 -18.697 6.773 -15.171 511 HB3 LYS 74 1HB LYS 74 -17.841 5.875 -16.418 512 HG2 LYS 74 2HG LYS 74 -17.463 5.460 -13.453 513 HG3 LYS 74 1HG LYS 74 -18.525 4.489 -14.477 514 HD2 LYS 74 2HD LYS 74 -16.620 3.767 -15.811 515 HD3 LYS 74 1HD LYS 74 -15.541 4.801 -14.875 516 HE2 LYS 74 2HE LYS 74 -17.124 2.473 -13.769 517 HE3 LYS 74 1HE LYS 74 -15.410 2.438 -14.185 518 HZ1 LYS 74 3HZ LYS 74 -15.076 4.233 -12.541 519 HZ2 LYS 74 1HZ LYS 74 -15.636 2.792 -11.854 520 HZ3 LYS 74 2HZ LYS 74 -16.697 4.081 -12.083 Start of MODEL 13 1 H1 SER 1 1H SER 1 4.989 -0.526 18.411 2 H2 SER 1 2H SER 1 4.441 0.679 19.470 3 H3 SER 1 3H SER 1 5.212 -0.689 20.080 4 HA SER 1 HA SER 1 6.501 1.282 18.286 5 HB2 SER 1 2HB SER 1 6.752 1.005 21.298 6 HB3 SER 1 1HB SER 1 7.652 2.138 20.284 7 HG SER 1 HG SER 1 6.016 3.390 20.766 8 H ASP 2 H ASP 2 7.965 0.140 17.167 9 HA ASP 2 HA ASP 2 10.090 -1.203 18.518 10 HB2 ASP 2 2HB ASP 2 9.743 -3.416 17.320 11 HB3 ASP 2 1HB ASP 2 8.638 -3.080 18.646 12 H SER 3 H SER 3 11.865 -1.754 17.084 13 HA SER 3 HA SER 3 11.670 -0.757 14.326 14 HB2 SER 3 2HB SER 3 13.596 0.756 14.614 15 HB3 SER 3 1HB SER 3 12.257 1.228 15.661 16 HG SER 3 HG SER 3 13.505 -0.267 17.224 17 H CYS 4 H CYS 4 13.510 -1.312 12.983 18 HA CYS 4 HA CYS 4 14.769 -3.807 13.903 19 HB2 CYS 4 2HB CYS 4 14.294 -2.686 11.151 20 HB3 CYS 4 1HB CYS 4 15.261 -4.128 11.450 21 H ASP 5 H ASP 5 16.889 -3.963 14.300 22 HA ASP 5 HA ASP 5 18.698 -1.796 13.631 23 HB2 ASP 5 2HB ASP 5 18.912 -2.874 15.812 24 HB3 ASP 5 1HB ASP 5 19.195 -4.432 15.038 25 H GLY 6 H GLY 6 19.855 -1.687 11.789 26 HA2 GLY 6 2HA GLY 6 21.373 -2.401 10.180 27 HA3 GLY 6 1HA GLY 6 21.178 -4.046 10.755 28 H VAL 7 H VAL 7 18.226 -3.980 10.358 29 HA VAL 7 HA VAL 7 18.173 -5.010 7.719 30 HB VAL 7 HB VAL 7 15.789 -4.186 9.392 31 HG11 VAL 7 1HG1 VAL 7 15.223 -4.639 7.065 32 HG12 VAL 7 2HG1 VAL 7 14.587 -5.905 8.117 33 HG13 VAL 7 3HG1 VAL 7 16.037 -6.202 7.156 34 HG21 VAL 7 3HG2 VAL 7 17.279 -5.663 10.663 35 HG22 VAL 7 1HG2 VAL 7 17.239 -6.837 9.348 36 HG23 VAL 7 2HG2 VAL 7 15.768 -6.472 10.249 37 H GLU 8 H GLU 8 17.399 -4.176 5.795 38 HA GLU 8 HA GLU 8 17.187 -1.241 5.685 39 HB2 GLU 8 2HB GLU 8 17.747 -3.264 3.503 40 HB3 GLU 8 1HB GLU 8 17.747 -1.517 3.292 41 HG2 GLU 8 2HG GLU 8 19.759 -1.247 4.348 42 HG3 GLU 8 1HG GLU 8 19.538 -2.660 5.377 43 H CYS 9 H CYS 9 15.059 -0.698 5.944 44 HA CYS 9 HA CYS 9 13.321 -1.273 3.691 45 HB2 CYS 9 2HB CYS 9 12.618 -2.104 6.504 46 HB3 CYS 9 1HB CYS 9 11.371 -1.770 5.302 47 H GLY 10 H GLY 10 11.875 0.403 3.233 48 HA2 GLY 10 2HA GLY 10 11.812 2.656 5.137 49 HA3 GLY 10 1HA GLY 10 12.416 2.936 3.515 50 HA PRO 11 HA PRO 11 8.205 4.106 2.626 51 HB2 PRO 11 2HB PRO 11 8.906 3.947 -0.225 52 HB3 PRO 11 1HB PRO 11 8.473 5.356 0.747 53 HG2 PRO 11 2HG PRO 11 10.982 4.955 -0.158 54 HG3 PRO 11 1HG PRO 11 10.657 5.743 1.397 55 HD2 PRO 11 2HD PRO 11 11.475 2.905 0.844 56 HD3 PRO 11 1HD PRO 11 12.058 4.019 2.102 57 H GLY 12 H GLY 12 9.562 1.633 0.408 58 HA2 GLY 12 2HA GLY 12 7.010 0.615 -0.353 59 HA3 GLY 12 1HA GLY 12 8.558 -0.146 -0.663 60 H LYS 13 H LYS 13 9.455 -0.563 1.940 61 HA LYS 13 HA LYS 13 7.371 -2.283 3.137 62 HB2 LYS 13 2HB LYS 13 10.304 -2.964 2.798 63 HB3 LYS 13 1HB LYS 13 9.133 -3.941 3.670 64 HG2 LYS 13 2HG LYS 13 7.881 -4.295 1.597 65 HG3 LYS 13 1HG LYS 13 9.055 -3.313 0.722 66 HD2 LYS 13 2HD LYS 13 9.614 -5.919 2.154 67 HD3 LYS 13 1HD LYS 13 9.512 -5.688 0.408 68 HE2 LYS 13 2HE LYS 13 11.452 -4.164 0.517 69 HE3 LYS 13 1HE LYS 13 11.564 -4.448 2.253 70 HZ1 LYS 13 3HZ LYS 13 11.942 -6.456 0.101 71 HZ2 LYS 13 1HZ LYS 13 11.910 -6.820 1.750 72 HZ3 LYS 13 2HZ LYS 13 13.131 -5.836 1.128 73 H ALA 14 H ALA 14 7.251 -2.267 5.339 74 HA ALA 14 HA ALA 14 9.176 -0.577 6.807 75 HB1 ALA 14 3HB ALA 14 6.367 -1.383 7.586 76 HB2 ALA 14 1HB ALA 14 6.845 0.180 6.922 77 HB3 ALA 14 2HB ALA 14 7.435 -0.321 8.506 78 H CYS 15 H CYS 15 10.398 -1.473 8.415 79 HA CYS 15 HA CYS 15 10.086 -4.371 8.833 80 HB2 CYS 15 2HB CYS 15 12.297 -3.474 8.057 81 HB3 CYS 15 1HB CYS 15 12.448 -2.652 9.609 82 H ARG 16 H ARG 16 9.718 -5.254 10.792 83 HA ARG 16 HA ARG 16 9.572 -3.489 13.142 84 HB2 ARG 16 2HB ARG 16 7.411 -5.372 12.174 85 HB3 ARG 16 1HB ARG 16 7.431 -4.649 13.777 86 HG2 ARG 16 2HG ARG 16 7.459 -2.396 12.611 87 HG3 ARG 16 1HG ARG 16 7.096 -3.278 11.123 88 HD2 ARG 16 2HD ARG 16 5.078 -2.383 12.271 89 HD3 ARG 16 1HD ARG 16 5.057 -4.136 12.057 90 HE ARG 16 HE ARG 16 6.130 -3.324 14.596 91 HH11 ARG 16 1HH1 ARG 16 3.207 -3.972 12.877 92 HH12 ARG 16 2HH1 ARG 16 2.335 -4.381 14.314 93 HH21 ARG 16 1HH2 ARG 16 5.011 -3.854 16.406 94 HH22 ARG 16 2HH2 ARG 16 3.341 -4.309 16.297 95 H MET 17 H MET 17 9.425 -4.708 15.210 96 HA MET 17 HA MET 17 11.121 -7.089 15.092 97 HB2 MET 17 2HB MET 17 10.126 -5.455 17.440 98 HB3 MET 17 1HB MET 17 11.177 -6.858 17.582 99 HG2 MET 17 2HG MET 17 11.836 -4.300 16.128 100 HG3 MET 17 1HG MET 17 12.433 -4.774 17.717 101 HE1 MET 17 3HE MET 17 14.656 -7.891 16.837 102 HE2 MET 17 1HE MET 17 12.954 -7.903 17.291 103 HE3 MET 17 2HE MET 17 14.081 -6.834 18.126 104 H LEU 18 H LEU 18 9.956 -8.847 14.536 105 HA LEU 18 HA LEU 18 7.481 -9.442 16.022 106 HB2 LEU 18 2HB LEU 18 8.538 -10.506 13.401 107 HB3 LEU 18 1HB LEU 18 7.180 -11.228 14.241 108 HG LEU 18 HG LEU 18 5.998 -8.990 14.055 109 HD11 LEU 18 1HD1 LEU 18 6.791 -7.441 12.319 110 HD12 LEU 18 2HD1 LEU 18 8.274 -8.386 12.167 111 HD13 LEU 18 3HD1 LEU 18 7.910 -7.553 13.678 112 HD21 LEU 18 3HD2 LEU 18 6.748 -10.377 11.476 113 HD22 LEU 18 1HD2 LEU 18 5.341 -9.343 11.725 114 HD23 LEU 18 2HD2 LEU 18 5.473 -10.875 12.588 115 H GLY 19 H GLY 19 7.731 -10.754 17.715 116 HA2 GLY 19 2HA GLY 19 8.486 -12.445 19.080 117 HA3 GLY 19 1HA GLY 19 8.795 -13.333 17.597 118 H GLY 20 H GLY 20 10.349 -10.344 18.747 119 HA2 GLY 20 2HA GLY 20 12.518 -9.942 19.419 120 HA3 GLY 20 1HA GLY 20 12.754 -11.674 19.574 121 H ARG 21 H ARG 21 11.611 -11.002 16.488 122 HA ARG 21 HA ARG 21 14.352 -10.784 15.400 123 HB2 ARG 21 2HB ARG 21 12.061 -12.467 14.356 124 HB3 ARG 21 1HB ARG 21 13.591 -12.233 13.519 125 HG2 ARG 21 2HG ARG 21 14.772 -13.273 15.409 126 HG3 ARG 21 1HG ARG 21 13.224 -13.540 16.213 127 HD2 ARG 21 2HD ARG 21 12.504 -14.963 14.353 128 HD3 ARG 21 1HD ARG 21 14.043 -14.679 13.538 129 HE ARG 21 HE ARG 21 14.684 -15.674 16.023 130 HH11 ARG 21 1HH1 ARG 21 12.879 -16.769 13.311 131 HH12 ARG 21 2HH1 ARG 21 13.212 -18.434 13.615 132 HH21 ARG 21 1HH2 ARG 21 15.123 -17.801 16.406 133 HH22 ARG 21 2HH2 ARG 21 14.485 -19.013 15.353 134 HA PRO 22 HA PRO 22 12.604 -7.266 13.236 135 HB2 PRO 22 2HB PRO 22 14.769 -6.663 11.720 136 HB3 PRO 22 1HB PRO 22 14.691 -6.315 13.452 137 HG2 PRO 22 2HG PRO 22 16.022 -8.604 12.039 138 HG3 PRO 22 1HG PRO 22 16.630 -7.611 13.378 139 HD2 PRO 22 2HD PRO 22 15.551 -10.082 13.742 140 HD3 PRO 22 1HD PRO 22 15.445 -8.795 14.960 141 H ARG 23 H ARG 23 11.026 -7.912 11.843 142 HA ARG 23 HA ARG 23 11.816 -9.242 9.326 143 HB2 ARG 23 2HB ARG 23 9.120 -9.344 10.707 144 HB3 ARG 23 1HB ARG 23 9.573 -10.210 9.246 145 HG2 ARG 23 2HG ARG 23 10.695 -10.652 12.014 146 HG3 ARG 23 1HG ARG 23 9.578 -11.706 11.144 147 HD2 ARG 23 2HD ARG 23 12.442 -11.082 10.415 148 HD3 ARG 23 1HD ARG 23 11.801 -12.623 10.986 149 HE ARG 23 HE ARG 23 10.368 -12.146 8.738 150 HH11 ARG 23 1HH1 ARG 23 13.741 -12.315 9.441 151 HH12 ARG 23 2HH1 ARG 23 14.167 -12.734 7.817 152 HH21 ARG 23 1HH2 ARG 23 10.934 -12.702 6.664 153 HH22 ARG 23 2HH2 ARG 23 12.600 -12.950 6.261 154 H CYS 24 H CYS 24 11.035 -8.441 7.383 155 HA CYS 24 HA CYS 24 9.817 -5.758 7.505 156 HB2 CYS 24 2HB CYS 24 11.640 -7.087 5.537 157 HB3 CYS 24 1HB CYS 24 10.584 -5.795 4.982 158 H GLU 25 H GLU 25 8.000 -5.222 6.408 159 HA GLU 25 HA GLU 25 6.764 -7.145 4.581 160 HB2 GLU 25 2HB GLU 25 4.547 -6.834 5.686 161 HB3 GLU 25 1HB GLU 25 5.711 -7.701 6.676 162 HG2 GLU 25 2HG GLU 25 6.126 -5.712 7.996 163 HG3 GLU 25 1HG GLU 25 5.055 -4.770 6.961 164 H CYS 26 H CYS 26 5.233 -6.187 3.122 165 HA CYS 26 HA CYS 26 5.835 -3.673 2.130 166 HB2 CYS 26 2HB CYS 26 4.624 -5.275 0.789 167 HB3 CYS 26 1HB CYS 26 3.249 -5.219 1.886 168 H ALA 27 H ALA 27 5.346 -1.633 2.643 169 HA ALA 27 HA ALA 27 3.548 -1.173 4.922 170 HB1 ALA 27 3HB ALA 27 4.711 0.959 5.184 171 HB2 ALA 27 1HB ALA 27 5.667 0.622 3.740 172 HB3 ALA 27 2HB ALA 27 5.849 -0.389 5.174 173 HA PRO 28 HA PRO 28 0.753 0.946 2.058 174 HB2 PRO 28 2HB PRO 28 -1.217 1.474 3.811 175 HB3 PRO 28 1HB PRO 28 -0.931 -0.163 3.208 176 HG2 PRO 28 2HG PRO 28 -0.102 1.061 5.817 177 HG3 PRO 28 1HG PRO 28 -0.797 -0.540 5.503 178 HD2 PRO 28 2HD PRO 28 1.888 -0.091 5.859 179 HD3 PRO 28 1HD PRO 28 1.236 -1.442 4.911 180 H ASP 29 H ASP 29 2.612 2.190 4.570 181 HA ASP 29 HA ASP 29 3.286 4.269 5.203 182 HB2 ASP 29 2HB ASP 29 3.584 4.510 2.760 183 HB3 ASP 29 1HB ASP 29 1.938 5.112 2.623 184 H CYS 30 H CYS 30 0.288 3.303 5.470 185 HA CYS 30 HA CYS 30 -1.181 5.754 5.843 186 HB2 CYS 30 2HB CYS 30 -2.383 3.857 5.006 187 HB3 CYS 30 1HB CYS 30 -1.865 2.856 6.359 188 H SER 31 H SER 31 -0.140 6.883 7.488 189 HA SER 31 HA SER 31 -0.760 5.894 10.186 190 HB2 SER 31 2HB SER 31 1.408 6.807 11.025 191 HB3 SER 31 1HB SER 31 1.621 5.460 9.909 192 HG SER 31 HG SER 31 3.033 7.200 9.429 193 H GLY 32 H GLY 32 1.006 8.829 9.238 194 HA2 GLY 32 2HA GLY 32 -1.009 10.434 10.630 195 HA3 GLY 32 1HA GLY 32 0.573 10.976 10.100 196 H LEU 33 H LEU 33 -2.168 9.503 8.357 197 HA LEU 33 HA LEU 33 -2.370 11.926 6.706 198 HB2 LEU 33 2HB LEU 33 -2.699 10.429 4.693 199 HB3 LEU 33 1HB LEU 33 -1.072 10.529 5.330 200 HG LEU 33 HG LEU 33 -1.522 8.318 6.513 201 HD11 LEU 33 1HD1 LEU 33 -3.275 6.888 5.536 202 HD12 LEU 33 2HD1 LEU 33 -3.896 8.281 4.649 203 HD13 LEU 33 3HD1 LEU 33 -3.936 8.268 6.412 204 HD21 LEU 33 3HD2 LEU 33 -1.538 8.379 3.494 205 HD22 LEU 33 1HD2 LEU 33 -1.067 7.005 4.494 206 HD23 LEU 33 2HD2 LEU 33 -0.117 8.490 4.536 207 HA PRO 34 HA PRO 34 -6.713 11.640 7.267 208 HB2 PRO 34 2HB PRO 34 -7.271 12.235 4.438 209 HB3 PRO 34 1HB PRO 34 -7.573 13.222 5.870 210 HG2 PRO 34 2HG PRO 34 -5.665 13.837 4.063 211 HG3 PRO 34 1HG PRO 34 -5.491 14.209 5.790 212 HD2 PRO 34 2HD PRO 34 -4.285 11.970 4.197 213 HD3 PRO 34 1HD PRO 34 -3.556 12.963 5.478 214 H ALA 35 H ALA 35 -7.627 9.661 7.577 215 HA ALA 35 HA ALA 35 -8.111 7.872 5.321 216 HB1 ALA 35 3HB ALA 35 -9.028 7.687 8.200 217 HB2 ALA 35 1HB ALA 35 -7.615 6.888 7.510 218 HB3 ALA 35 2HB ALA 35 -9.232 6.437 6.973 219 H ARG 36 H ARG 36 -9.249 9.675 4.183 220 HA ARG 36 HA ARG 36 -12.041 10.066 5.040 221 HB2 ARG 36 2HB ARG 36 -10.079 12.325 4.568 222 HB3 ARG 36 1HB ARG 36 -11.799 12.520 4.864 223 HG2 ARG 36 2HG ARG 36 -10.073 11.124 6.876 224 HG3 ARG 36 1HG ARG 36 -10.098 12.885 6.788 225 HD2 ARG 36 2HD ARG 36 -11.675 12.162 8.449 226 HD3 ARG 36 1HD ARG 36 -12.554 12.830 7.078 227 HE ARG 36 HE ARG 36 -12.272 9.977 6.958 228 HH11 ARG 36 1HH1 ARG 36 -14.096 12.570 8.276 229 HH12 ARG 36 2HH1 ARG 36 -15.519 11.617 8.487 230 HH21 ARG 36 1HH2 ARG 36 -14.120 8.746 7.228 231 HH22 ARG 36 2HH2 ARG 36 -15.536 9.479 7.894 232 H LEU 37 H LEU 37 -9.804 9.681 2.504 233 HA LEU 37 HA LEU 37 -11.633 10.956 0.563 234 HB2 LEU 37 2HB LEU 37 -9.783 12.460 0.950 235 HB3 LEU 37 1HB LEU 37 -8.624 11.176 0.668 236 HG LEU 37 HG LEU 37 -9.401 11.049 -1.702 237 HD11 LEU 37 1HD1 LEU 37 -10.760 12.869 -2.610 238 HD12 LEU 37 2HD1 LEU 37 -10.994 13.512 -0.985 239 HD13 LEU 37 3HD1 LEU 37 -11.656 11.933 -1.413 240 HD21 LEU 37 3HD2 LEU 37 -8.295 13.097 -2.437 241 HD22 LEU 37 1HD2 LEU 37 -7.422 12.347 -1.098 242 HD23 LEU 37 2HD2 LEU 37 -8.433 13.763 -0.810 243 H GLN 38 H GLN 38 -12.397 9.453 -0.772 244 HA GLN 38 HA GLN 38 -11.290 6.950 -1.333 245 HB2 GLN 38 2HB GLN 38 -13.183 8.658 -2.962 246 HB3 GLN 38 1HB GLN 38 -12.771 7.001 -3.382 247 HG2 GLN 38 2HG GLN 38 -13.702 6.230 -1.252 248 HG3 GLN 38 1HG GLN 38 -14.127 7.891 -0.837 249 HE21 GLN 38 1HE2 GLN 38 -15.820 5.508 -1.222 250 HE22 GLN 38 2HE2 GLN 38 -16.974 5.954 -2.425 251 H VAL 39 H VAL 39 -10.292 6.137 -3.270 252 HA VAL 39 HA VAL 39 -8.882 8.114 -4.928 253 HB VAL 39 HB VAL 39 -6.752 6.787 -4.709 254 HG11 VAL 39 1HG1 VAL 39 -7.023 8.910 -3.530 255 HG12 VAL 39 2HG1 VAL 39 -6.086 7.775 -2.559 256 HG13 VAL 39 3HG1 VAL 39 -7.780 8.076 -2.174 257 HG21 VAL 39 3HG2 VAL 39 -8.203 5.535 -2.367 258 HG22 VAL 39 1HG2 VAL 39 -6.491 5.327 -2.744 259 HG23 VAL 39 2HG2 VAL 39 -7.719 4.710 -3.849 260 H CYS 40 H CYS 40 -8.262 7.395 -6.974 261 HA CYS 40 HA CYS 40 -9.521 4.878 -7.846 262 HB2 CYS 40 2HB CYS 40 -10.131 6.970 -9.037 263 HB3 CYS 40 1HB CYS 40 -8.451 7.169 -9.516 264 H GLY 41 H GLY 41 -8.269 3.135 -8.065 265 HA2 GLY 41 2HA GLY 41 -5.373 3.422 -7.987 266 HA3 GLY 41 1HA GLY 41 -6.281 1.929 -7.832 267 H SER 42 H SER 42 -3.958 2.146 -9.368 268 HA SER 42 HA SER 42 -4.233 2.605 -12.094 269 HB2 SER 42 2HB SER 42 -2.346 1.009 -12.376 270 HB3 SER 42 1HB SER 42 -2.061 2.161 -11.072 271 HG SER 42 HG SER 42 -1.752 -0.311 -10.799 272 H ASP 43 H ASP 43 -5.302 -0.097 -10.181 273 HA ASP 43 HA ASP 43 -5.912 -1.964 -12.157 274 HB2 ASP 43 2HB ASP 43 -6.035 -2.562 -9.845 275 HB3 ASP 43 1HB ASP 43 -7.231 -1.310 -9.518 276 H GLY 44 H GLY 44 -7.880 0.743 -10.937 277 HA2 GLY 44 2HA GLY 44 -9.316 1.837 -12.682 278 HA3 GLY 44 1HA GLY 44 -9.847 0.215 -13.096 279 H ALA 45 H ALA 45 -9.813 -0.513 -10.168 280 HA ALA 45 HA ALA 45 -12.493 0.338 -9.528 281 HB1 ALA 45 3HB ALA 45 -12.290 -1.120 -7.591 282 HB2 ALA 45 1HB ALA 45 -10.561 -1.303 -7.889 283 HB3 ALA 45 2HB ALA 45 -11.729 -1.941 -9.048 284 H THR 46 H THR 46 -13.167 1.775 -7.989 285 HA THR 46 HA THR 46 -11.199 3.609 -6.870 286 HB THR 46 HB THR 46 -14.227 3.634 -6.655 287 HG1 THR 46 HG1 THR 46 -13.091 4.061 -8.783 288 HG21 THR 46 3HG2 THR 46 -13.200 4.811 -4.772 289 HG22 THR 46 1HG2 THR 46 -13.956 5.955 -5.879 290 HG23 THR 46 2HG2 THR 46 -12.204 5.749 -5.886 291 H TYR 47 H TYR 47 -10.351 3.396 -4.895 292 HA TYR 47 HA TYR 47 -11.573 1.541 -2.988 293 HB2 TYR 47 2HB TYR 47 -8.838 2.823 -3.124 294 HB3 TYR 47 1HB TYR 47 -9.379 1.868 -1.747 295 HD1 TYR 47 HD2 TYR 47 -9.038 1.634 -5.471 296 HD2 TYR 47 HD1 TYR 47 -8.980 -0.436 -1.744 297 HE1 TYR 47 HE2 TYR 47 -8.360 -0.425 -6.626 298 HE2 TYR 47 HE1 TYR 47 -8.303 -2.499 -2.897 299 HH TYR 47 HH TYR 47 -7.221 -2.533 -6.114 300 H ARG 48 H ARG 48 -11.780 2.105 -0.749 301 HA ARG 48 HA ARG 48 -13.367 4.408 -0.454 302 HB2 ARG 48 2HB ARG 48 -12.165 2.678 1.717 303 HB3 ARG 48 1HB ARG 48 -13.540 3.763 1.895 304 HG2 ARG 48 2HG ARG 48 -14.826 2.406 0.312 305 HG3 ARG 48 1HG ARG 48 -13.447 1.321 0.121 306 HD2 ARG 48 2HD ARG 48 -15.046 0.359 1.665 307 HD3 ARG 48 1HD ARG 48 -13.564 0.782 2.521 308 HE ARG 48 HE ARG 48 -15.699 2.753 2.588 309 HH11 ARG 48 1HH1 ARG 48 -14.063 0.175 4.199 310 HH12 ARG 48 2HH1 ARG 48 -14.739 0.567 5.739 311 HH21 ARG 48 1HH2 ARG 48 -16.552 3.251 4.559 312 HH22 ARG 48 2HH2 ARG 48 -16.130 2.306 5.943 313 H ASP 49 H ASP 49 -9.970 3.918 0.104 314 HA ASP 49 HA ASP 49 -9.450 6.689 0.423 315 HB2 ASP 49 2HB ASP 49 -10.344 6.230 2.682 316 HB3 ASP 49 1HB ASP 49 -9.127 4.983 2.911 317 H GLU 50 H GLU 50 -7.101 7.142 0.675 318 HA GLU 50 HA GLU 50 -5.466 5.517 -0.901 319 HB2 GLU 50 2HB GLU 50 -4.971 7.913 -0.336 320 HB3 GLU 50 1HB GLU 50 -4.491 7.393 1.276 321 HG2 GLU 50 2HG GLU 50 -2.802 5.878 0.133 322 HG3 GLU 50 1HG GLU 50 -3.159 6.759 -1.349 323 H CYS 51 H CYS 51 -5.849 5.638 2.591 324 HA CYS 51 HA CYS 51 -3.878 3.904 3.468 325 HB2 CYS 51 2HB CYS 51 -5.422 5.237 4.916 326 HB3 CYS 51 1HB CYS 51 -6.701 4.083 4.557 327 H GLU 52 H GLU 52 -7.108 3.107 2.222 328 HA GLU 52 HA GLU 52 -6.833 0.280 2.620 329 HB2 GLU 52 2HB GLU 52 -9.042 1.316 2.568 330 HB3 GLU 52 1HB GLU 52 -8.775 1.867 0.919 331 HG2 GLU 52 2HG GLU 52 -8.675 -0.473 0.166 332 HG3 GLU 52 1HG GLU 52 -8.980 -1.007 1.817 333 H LEU 53 H LEU 53 -6.499 2.449 -0.168 334 HA LEU 53 HA LEU 53 -6.189 0.583 -2.207 335 HB2 LEU 53 2HB LEU 53 -6.468 2.952 -2.638 336 HB3 LEU 53 1HB LEU 53 -4.927 3.309 -1.881 337 HG LEU 53 HG LEU 53 -3.781 2.062 -3.707 338 HD11 LEU 53 1HD1 LEU 53 -6.533 1.933 -4.931 339 HD12 LEU 53 2HD1 LEU 53 -5.588 0.566 -4.343 340 HD13 LEU 53 3HD1 LEU 53 -5.025 1.495 -5.731 341 HD21 LEU 53 3HD2 LEU 53 -4.048 4.505 -3.807 342 HD22 LEU 53 1HD2 LEU 53 -5.572 4.296 -4.672 343 HD23 LEU 53 2HD2 LEU 53 -4.058 3.773 -5.410 344 H ARG 54 H ARG 54 -3.561 2.200 -0.408 345 HA ARG 54 HA ARG 54 -1.518 0.690 -1.710 346 HB2 ARG 54 2HB ARG 54 -1.337 2.372 0.800 347 HB3 ARG 54 1HB ARG 54 0.018 1.833 -0.187 348 HG2 ARG 54 2HG ARG 54 -0.729 3.169 -2.047 349 HG3 ARG 54 1HG ARG 54 -2.206 3.608 -1.190 350 HD2 ARG 54 2HD ARG 54 -0.754 5.468 -1.022 351 HD3 ARG 54 1HD ARG 54 -0.741 4.684 0.556 352 HE ARG 54 HE ARG 54 1.387 3.748 -1.080 353 HH11 ARG 54 1HH1 ARG 54 0.377 6.426 0.841 354 HH12 ARG 54 2HH1 ARG 54 1.996 6.906 1.222 355 HH21 ARG 54 1HH2 ARG 54 3.473 4.390 -0.594 356 HH22 ARG 54 2HH2 ARG 54 3.729 5.778 0.400 357 H ALA 55 H ALA 55 -3.362 0.192 1.220 358 HA ALA 55 HA ALA 55 -1.705 -1.876 2.297 359 HB1 ALA 55 3HB ALA 55 -3.300 -0.658 3.690 360 HB2 ALA 55 1HB ALA 55 -3.616 -2.394 3.732 361 HB3 ALA 55 2HB ALA 55 -4.641 -1.334 2.762 362 H ALA 56 H ALA 56 -4.665 -1.900 0.302 363 HA ALA 56 HA ALA 56 -4.953 -4.659 -0.029 364 HB1 ALA 56 3HB ALA 56 -6.222 -4.132 -2.054 365 HB2 ALA 56 1HB ALA 56 -5.591 -2.483 -2.032 366 HB3 ALA 56 2HB ALA 56 -6.653 -3.040 -0.739 367 H ARG 57 H ARG 57 -2.899 -2.349 -1.719 368 HA ARG 57 HA ARG 57 -1.720 -3.959 -3.662 369 HB2 ARG 57 2HB ARG 57 -1.280 -1.555 -3.451 370 HB3 ARG 57 1HB ARG 57 -0.461 -1.819 -1.919 371 HG2 ARG 57 2HG ARG 57 1.176 -3.279 -3.244 372 HG3 ARG 57 1HG ARG 57 0.457 -2.552 -4.683 373 HD2 ARG 57 2HD ARG 57 2.429 -1.304 -4.086 374 HD3 ARG 57 1HD ARG 57 1.009 -0.308 -3.768 375 HE ARG 57 HE ARG 57 1.501 -1.501 -1.377 376 HH11 ARG 57 1HH1 ARG 57 3.377 0.422 -3.531 377 HH12 ARG 57 2HH1 ARG 57 4.426 0.995 -2.283 378 HH21 ARG 57 1HH2 ARG 57 2.851 -0.752 0.226 379 HH22 ARG 57 2HH2 ARG 57 4.119 0.349 -0.172 380 H CYS 58 H CYS 58 -0.750 -3.501 -0.267 381 HA CYS 58 HA CYS 58 1.440 -5.295 -0.308 382 HB2 CYS 58 2HB CYS 58 -0.220 -4.320 2.030 383 HB3 CYS 58 1HB CYS 58 1.335 -5.137 2.164 384 H ARG 59 H ARG 59 -1.969 -5.841 -0.003 385 HA ARG 59 HA ARG 59 -1.687 -8.456 1.225 386 HB2 ARG 59 2HB ARG 59 -4.138 -7.123 0.054 387 HB3 ARG 59 1HB ARG 59 -4.127 -8.588 1.025 388 HG2 ARG 59 2HG ARG 59 -3.118 -7.216 2.887 389 HG3 ARG 59 1HG ARG 59 -3.451 -5.788 1.903 390 HD2 ARG 59 2HD ARG 59 -5.260 -6.053 3.447 391 HD3 ARG 59 1HD ARG 59 -5.857 -6.484 1.844 392 HE ARG 59 HE ARG 59 -5.222 -8.377 4.009 393 HH11 ARG 59 1HH1 ARG 59 -6.827 -7.646 1.041 394 HH12 ARG 59 2HH1 ARG 59 -7.653 -9.162 0.996 395 HH21 ARG 59 1HH2 ARG 59 -6.313 -10.300 3.943 396 HH22 ARG 59 2HH2 ARG 59 -7.364 -10.650 2.617 397 H GLY 60 H GLY 60 -0.411 -8.018 -1.421 398 HA2 GLY 60 2HA GLY 60 0.095 -9.812 -2.900 399 HA3 GLY 60 1HA GLY 60 -1.526 -10.435 -2.669 400 H HIS 61 H HIS 61 -0.888 -7.060 -3.464 401 HA HIS 61 HA HIS 61 -1.578 -7.578 -6.282 402 HB2 HIS 61 2HB HIS 61 -2.806 -5.385 -4.581 403 HB3 HIS 61 1HB HIS 61 -3.048 -5.587 -6.313 404 HD1 HIS 61 HD1 HIS 61 -4.211 -6.808 -3.027 405 HD2 HIS 61 HD2 HIS 61 -4.657 -7.857 -7.026 406 HE1 HIS 61 HE1 HIS 61 -6.151 -8.398 -3.093 407 HE2 HIS 61 HE2 HIS 61 -6.371 -9.063 -5.507 408 HA PRO 62 HA PRO 62 2.244 -4.962 -5.764 409 HB2 PRO 62 2HB PRO 62 3.667 -6.123 -7.771 410 HB3 PRO 62 1HB PRO 62 3.579 -6.795 -6.140 411 HG2 PRO 62 2HG PRO 62 2.028 -7.569 -8.589 412 HG3 PRO 62 1HG PRO 62 2.819 -8.613 -7.390 413 HD2 PRO 62 2HD PRO 62 0.157 -8.129 -7.345 414 HD3 PRO 62 1HD PRO 62 1.096 -8.373 -5.857 415 H ASP 63 H ASP 63 0.204 -5.596 -8.533 416 HA ASP 63 HA ASP 63 1.351 -3.525 -10.190 417 HB2 ASP 63 2HB ASP 63 -1.307 -4.952 -10.487 418 HB3 ASP 63 1HB ASP 63 -0.476 -4.017 -11.729 419 H LEU 64 H LEU 64 -0.862 -3.597 -7.609 420 HA LEU 64 HA LEU 64 -2.615 -1.502 -8.440 421 HB2 LEU 64 2HB LEU 64 -3.197 -3.277 -6.786 422 HB3 LEU 64 1HB LEU 64 -2.091 -2.536 -5.645 423 HG LEU 64 HG LEU 64 -3.472 -0.484 -5.644 424 HD11 LEU 64 1HD1 LEU 64 -5.707 -0.532 -6.670 425 HD12 LEU 64 2HD1 LEU 64 -5.315 -2.075 -7.431 426 HD13 LEU 64 3HD1 LEU 64 -4.418 -0.622 -7.873 427 HD21 LEU 64 3HD2 LEU 64 -5.026 -3.003 -5.032 428 HD22 LEU 64 1HD2 LEU 64 -5.347 -1.397 -4.377 429 HD23 LEU 64 2HD2 LEU 64 -3.850 -2.233 -3.967 430 H SER 65 H SER 65 -1.990 0.533 -8.684 431 HA SER 65 HA SER 65 -0.291 1.802 -6.641 432 HB2 SER 65 2HB SER 65 0.102 2.069 -9.639 433 HB3 SER 65 1HB SER 65 0.953 3.016 -8.417 434 HG SER 65 HG SER 65 1.106 0.225 -8.896 435 H VAL 66 H VAL 66 -0.349 4.236 -6.794 436 HA VAL 66 HA VAL 66 -3.119 5.048 -6.924 437 HB VAL 66 HB VAL 66 -0.692 6.763 -6.333 438 HG11 VAL 66 1HG1 VAL 66 -3.619 7.185 -5.684 439 HG12 VAL 66 2HG1 VAL 66 -2.691 8.059 -6.901 440 HG13 VAL 66 3HG1 VAL 66 -2.294 8.239 -5.194 441 HG21 VAL 66 3HG2 VAL 66 -0.794 4.863 -4.790 442 HG22 VAL 66 1HG2 VAL 66 -2.468 5.261 -4.400 443 HG23 VAL 66 2HG2 VAL 66 -1.172 6.373 -3.960 444 H MET 67 H MET 67 -4.074 5.728 -8.777 445 HA MET 67 HA MET 67 -2.545 6.925 -10.935 446 HB2 MET 67 2HB MET 67 -5.481 6.367 -10.520 447 HB3 MET 67 1HB MET 67 -4.919 7.337 -11.874 448 HG2 MET 67 2HG MET 67 -4.112 4.497 -11.301 449 HG3 MET 67 1HG MET 67 -5.282 5.018 -12.513 450 HE1 MET 67 3HE MET 67 -3.070 3.143 -13.524 451 HE2 MET 67 1HE MET 67 -2.444 4.003 -14.929 452 HE3 MET 67 2HE MET 67 -4.177 3.976 -14.616 453 H TYR 68 H TYR 68 -5.270 8.056 -8.930 454 HA TYR 68 HA TYR 68 -4.036 10.592 -8.418 455 HB2 TYR 68 2HB TYR 68 -5.999 11.900 -9.448 456 HB3 TYR 68 1HB TYR 68 -4.778 11.277 -10.549 457 HD1 TYR 68 HD1 TYR 68 -8.220 10.703 -9.269 458 HD2 TYR 68 HD2 TYR 68 -5.343 9.740 -12.266 459 HE1 TYR 68 HE1 TYR 68 -9.962 9.570 -10.577 460 HE2 TYR 68 HE2 TYR 68 -7.083 8.607 -13.577 461 HH TYR 68 HH TYR 68 -9.240 7.550 -13.229 462 H ARG 69 H ARG 69 -5.400 11.988 -7.037 463 HA ARG 69 HA ARG 69 -6.710 10.389 -5.033 464 HB2 ARG 69 2HB ARG 69 -6.254 13.378 -5.226 465 HB3 ARG 69 1HB ARG 69 -6.889 12.551 -3.808 466 HG2 ARG 69 2HG ARG 69 -4.843 11.385 -3.458 467 HG3 ARG 69 1HG ARG 69 -4.205 11.909 -5.017 468 HD2 ARG 69 2HD ARG 69 -3.200 13.184 -3.205 469 HD3 ARG 69 1HD ARG 69 -4.182 14.226 -4.229 470 HE ARG 69 HE ARG 69 -5.752 14.433 -2.494 471 HH11 ARG 69 1HH1 ARG 69 -3.135 12.379 -1.594 472 HH12 ARG 69 2HH1 ARG 69 -3.396 12.603 0.099 473 HH21 ARG 69 1HH2 ARG 69 -6.079 14.713 -0.322 474 HH22 ARG 69 2HH2 ARG 69 -5.045 13.913 0.814 475 H GLY 70 H GLY 70 -8.859 10.302 -4.497 476 HA2 GLY 70 2HA GLY 70 -11.125 11.025 -4.569 477 HA3 GLY 70 1HA GLY 70 -10.771 11.931 -6.032 478 H ARG 71 H ARG 71 -13.004 10.448 -6.060 479 HA ARG 71 HA ARG 71 -12.812 7.808 -7.007 480 HB2 ARG 71 2HB ARG 71 -14.918 8.991 -6.301 481 HB3 ARG 71 1HB ARG 71 -14.871 9.885 -7.813 482 HG2 ARG 71 2HG ARG 71 -15.059 7.747 -9.047 483 HG3 ARG 71 1HG ARG 71 -15.180 6.898 -7.504 484 HD2 ARG 71 2HD ARG 71 -17.210 8.214 -6.973 485 HD3 ARG 71 1HD ARG 71 -17.098 8.989 -8.555 486 HE ARG 71 HE ARG 71 -17.231 6.096 -8.590 487 HH11 ARG 71 1HH1 ARG 71 -19.011 9.050 -8.765 488 HH12 ARG 71 2HH1 ARG 71 -20.366 8.301 -9.536 489 HH21 ARG 71 1HH2 ARG 71 -19.002 5.160 -9.560 490 HH22 ARG 71 2HH2 ARG 71 -20.364 6.146 -9.968 491 H CYS 72 H CYS 72 -13.002 7.014 -9.242 492 HA CYS 72 HA CYS 72 -11.007 8.015 -10.905 493 HB2 CYS 72 2HB CYS 72 -13.336 6.267 -11.725 494 HB3 CYS 72 1HB CYS 72 -11.842 6.478 -12.631 495 H ARG 73 H ARG 73 -11.384 10.269 -11.122 496 HA ARG 73 HA ARG 73 -13.346 10.990 -13.213 497 HB2 ARG 73 2HB ARG 73 -12.234 12.654 -10.947 498 HB3 ARG 73 1HB ARG 73 -13.174 13.322 -12.274 499 HG2 ARG 73 2HG ARG 73 -15.093 11.976 -11.614 500 HG3 ARG 73 1HG ARG 73 -14.148 11.245 -10.315 501 HD2 ARG 73 2HD ARG 73 -15.620 13.053 -9.507 502 HD3 ARG 73 1HD ARG 73 -13.914 13.389 -9.221 503 HE ARG 73 HE ARG 73 -15.243 14.542 -11.575 504 HH11 ARG 73 1HH1 ARG 73 -13.655 14.965 -8.543 505 HH12 ARG 73 2HH1 ARG 73 -13.463 16.666 -8.759 506 HH21 ARG 73 1HH2 ARG 73 -14.969 16.750 -11.835 507 HH22 ARG 73 2HH2 ARG 73 -14.179 17.653 -10.587 508 H LYS 74 H LYS 74 -12.633 12.137 -14.976 509 HA LYS 74 HA LYS 74 -9.744 12.744 -15.118 510 HB2 LYS 74 2HB LYS 74 -11.674 12.254 -17.406 511 HB3 LYS 74 1HB LYS 74 -9.956 12.595 -17.566 512 HG2 LYS 74 2HG LYS 74 -11.204 10.153 -16.310 513 HG3 LYS 74 1HG LYS 74 -10.348 10.236 -17.851 514 HD2 LYS 74 2HD LYS 74 -9.130 10.778 -15.131 515 HD3 LYS 74 1HD LYS 74 -8.949 9.287 -16.054 516 HE2 LYS 74 2HE LYS 74 -7.795 10.491 -17.828 517 HE3 LYS 74 1HE LYS 74 -8.037 12.018 -16.977 518 HZ1 LYS 74 3HZ LYS 74 -6.660 11.209 -15.182 519 HZ2 LYS 74 1HZ LYS 74 -5.810 11.120 -16.639 520 HZ3 LYS 74 2HZ LYS 74 -6.459 9.718 -15.952 Start of MODEL 14 1 H1 SER 1 1H SER 1 6.865 3.216 19.435 2 H2 SER 1 2H SER 1 6.424 3.028 17.809 3 H3 SER 1 3H SER 1 6.213 4.519 18.574 4 HA SER 1 HA SER 1 8.132 4.528 17.097 5 HB2 SER 1 2HB SER 1 8.839 4.735 20.039 6 HB3 SER 1 1HB SER 1 9.714 5.493 18.706 7 HG SER 1 HG SER 1 8.337 7.016 19.551 8 H ASP 2 H ASP 2 7.647 1.607 18.128 9 HA ASP 2 HA ASP 2 10.327 0.659 18.638 10 HB2 ASP 2 2HB ASP 2 9.252 -1.575 18.701 11 HB3 ASP 2 1HB ASP 2 8.451 -0.414 19.755 12 H SER 3 H SER 3 11.724 -0.248 17.222 13 HA SER 3 HA SER 3 10.841 -0.589 14.421 14 HB2 SER 3 2HB SER 3 13.450 0.594 15.409 15 HB3 SER 3 1HB SER 3 13.099 0.216 13.723 16 HG SER 3 HG SER 3 11.132 1.643 14.192 17 H CYS 4 H CYS 4 13.213 -1.589 13.359 18 HA CYS 4 HA CYS 4 13.227 -4.268 14.565 19 HB2 CYS 4 2HB CYS 4 14.355 -4.837 12.315 20 HB3 CYS 4 1HB CYS 4 12.646 -4.418 12.310 21 H ASP 5 H ASP 5 14.971 -5.128 15.526 22 HA ASP 5 HA ASP 5 17.335 -3.524 15.892 23 HB2 ASP 5 2HB ASP 5 16.446 -4.770 17.781 24 HB3 ASP 5 1HB ASP 5 16.614 -6.287 16.899 25 H GLY 6 H GLY 6 19.167 -3.637 14.784 26 HA2 GLY 6 2HA GLY 6 20.870 -4.408 13.452 27 HA3 GLY 6 1HA GLY 6 20.266 -6.032 13.718 28 H VAL 7 H VAL 7 17.701 -4.365 12.506 29 HA VAL 7 HA VAL 7 18.278 -5.310 9.771 30 HB VAL 7 HB VAL 7 15.541 -4.707 10.894 31 HG11 VAL 7 1HG1 VAL 7 16.438 -6.389 8.550 32 HG12 VAL 7 2HG1 VAL 7 15.657 -4.808 8.471 33 HG13 VAL 7 3HG1 VAL 7 14.770 -6.199 9.095 34 HG21 VAL 7 3HG2 VAL 7 16.501 -6.393 12.342 35 HG22 VAL 7 1HG2 VAL 7 16.974 -7.365 10.946 36 HG23 VAL 7 2HG2 VAL 7 15.266 -7.119 11.315 37 H GLU 8 H GLU 8 17.914 -3.976 7.994 38 HA GLU 8 HA GLU 8 17.207 -1.163 8.571 39 HB2 GLU 8 2HB GLU 8 19.501 -1.765 7.531 40 HB3 GLU 8 1HB GLU 8 18.604 -2.122 6.066 41 HG2 GLU 8 2HG GLU 8 18.611 0.549 7.472 42 HG3 GLU 8 1HG GLU 8 19.627 0.134 6.098 43 H CYS 9 H CYS 9 15.077 -0.943 8.219 44 HA CYS 9 HA CYS 9 13.995 -1.731 5.605 45 HB2 CYS 9 2HB CYS 9 12.759 -2.417 8.283 46 HB3 CYS 9 1HB CYS 9 11.839 -2.421 6.783 47 H GLY 10 H GLY 10 12.542 -0.310 4.731 48 HA2 GLY 10 2HA GLY 10 10.947 1.566 5.978 49 HA3 GLY 10 1HA GLY 10 12.504 2.353 5.784 50 HA PRO 11 HA PRO 11 11.555 3.354 1.583 51 HB2 PRO 11 2HB PRO 11 13.787 2.896 0.167 52 HB3 PRO 11 1HB PRO 11 13.757 4.079 1.479 53 HG2 PRO 11 2HG PRO 11 14.757 1.245 1.516 54 HG3 PRO 11 1HG PRO 11 15.536 2.709 2.149 55 HD2 PRO 11 2HD PRO 11 14.135 0.970 3.719 56 HD3 PRO 11 1HD PRO 11 14.261 2.705 4.073 57 H GLY 12 H GLY 12 10.509 0.738 2.117 58 HA2 GLY 12 2HA GLY 12 9.672 -0.240 -0.267 59 HA3 GLY 12 1HA GLY 12 11.231 -1.028 -0.074 60 H LYS 13 H LYS 13 11.305 -1.586 2.585 61 HA LYS 13 HA LYS 13 8.843 -3.114 3.168 62 HB2 LYS 13 2HB LYS 13 11.702 -3.864 3.844 63 HB3 LYS 13 1HB LYS 13 10.278 -4.740 4.388 64 HG2 LYS 13 2HG LYS 13 9.712 -5.249 2.052 65 HG3 LYS 13 1HG LYS 13 11.165 -4.398 1.526 66 HD2 LYS 13 2HD LYS 13 11.098 -6.832 3.322 67 HD3 LYS 13 1HD LYS 13 11.502 -6.838 1.605 68 HE2 LYS 13 2HE LYS 13 13.037 -5.399 3.779 69 HE3 LYS 13 1HE LYS 13 13.513 -6.910 3.007 70 HZ1 LYS 13 3HZ LYS 13 13.206 -4.297 1.626 71 HZ2 LYS 13 1HZ LYS 13 13.678 -5.750 0.901 72 HZ3 LYS 13 2HZ LYS 13 14.670 -5.019 2.055 73 H ALA 14 H ALA 14 7.957 -2.839 5.192 74 HA ALA 14 HA ALA 14 9.332 -0.931 6.986 75 HB1 ALA 14 3HB ALA 14 7.133 -0.402 7.895 76 HB2 ALA 14 1HB ALA 14 6.390 -1.616 6.851 77 HB3 ALA 14 2HB ALA 14 7.151 -0.190 6.144 78 H CYS 15 H CYS 15 9.804 -1.470 9.076 79 HA CYS 15 HA CYS 15 9.233 -4.262 9.869 80 HB2 CYS 15 2HB CYS 15 11.363 -4.281 11.049 81 HB3 CYS 15 1HB CYS 15 11.603 -3.860 9.361 82 H ARG 16 H ARG 16 8.460 -4.713 11.855 83 HA ARG 16 HA ARG 16 8.526 -2.668 13.957 84 HB2 ARG 16 2HB ARG 16 6.352 -2.411 12.823 85 HB3 ARG 16 1HB ARG 16 5.997 -4.111 13.104 86 HG2 ARG 16 2HG ARG 16 5.774 -3.794 15.423 87 HG3 ARG 16 1HG ARG 16 6.549 -2.212 15.366 88 HD2 ARG 16 2HD ARG 16 3.841 -2.916 14.228 89 HD3 ARG 16 1HD ARG 16 4.143 -2.004 15.704 90 HE ARG 16 HE ARG 16 3.977 -0.930 13.150 91 HH11 ARG 16 1HH1 ARG 16 6.152 -0.719 15.850 92 HH12 ARG 16 2HH1 ARG 16 6.653 0.884 15.436 93 HH21 ARG 16 1HH2 ARG 16 4.610 1.130 12.690 94 HH22 ARG 16 2HH2 ARG 16 5.786 1.918 13.682 95 H MET 17 H MET 17 8.018 -3.567 16.138 96 HA MET 17 HA MET 17 9.329 -6.129 16.471 97 HB2 MET 17 2HB MET 17 8.281 -4.090 18.436 98 HB3 MET 17 1HB MET 17 9.018 -5.603 18.936 99 HG2 MET 17 2HG MET 17 10.554 -3.852 17.090 100 HG3 MET 17 1HG MET 17 10.389 -3.353 18.769 101 HE1 MET 17 3HE MET 17 10.750 -7.005 17.194 102 HE2 MET 17 1HE MET 17 12.487 -7.242 17.387 103 HE3 MET 17 2HE MET 17 11.882 -6.002 16.289 104 H LEU 18 H LEU 18 8.106 -7.932 16.116 105 HA LEU 18 HA LEU 18 5.605 -8.166 17.683 106 HB2 LEU 18 2HB LEU 18 6.226 -9.398 14.988 107 HB3 LEU 18 1HB LEU 18 4.862 -9.867 15.981 108 HG LEU 18 HG LEU 18 4.138 -7.394 15.831 109 HD11 LEU 18 1HD1 LEU 18 6.225 -6.495 14.946 110 HD12 LEU 18 2HD1 LEU 18 4.882 -6.191 13.846 111 HD13 LEU 18 3HD1 LEU 18 6.040 -7.474 13.489 112 HD21 LEU 18 3HD2 LEU 18 4.069 -9.123 13.355 113 HD22 LEU 18 1HD2 LEU 18 2.982 -7.781 13.720 114 HD23 LEU 18 2HD2 LEU 18 2.964 -9.228 14.725 115 H GLY 19 H GLY 19 6.288 -9.246 19.455 116 HA2 GLY 19 2HA GLY 19 6.988 -10.998 20.761 117 HA3 GLY 19 1HA GLY 19 6.705 -12.015 19.362 118 H GLY 20 H GLY 20 9.132 -9.478 20.100 119 HA2 GLY 20 2HA GLY 20 11.422 -9.715 20.444 120 HA3 GLY 20 1HA GLY 20 11.259 -11.446 20.222 121 H ARG 21 H ARG 21 10.149 -11.525 17.655 122 HA ARG 21 HA ARG 21 12.478 -10.769 16.061 123 HB2 ARG 21 2HB ARG 21 11.349 -12.221 14.297 124 HB3 ARG 21 1HB ARG 21 11.907 -13.037 15.750 125 HG2 ARG 21 2HG ARG 21 9.622 -13.033 16.636 126 HG3 ARG 21 1HG ARG 21 9.061 -12.220 15.174 127 HD2 ARG 21 2HD ARG 21 10.472 -14.884 15.129 128 HD3 ARG 21 1HD ARG 21 8.723 -14.736 15.271 129 HE ARG 21 HE ARG 21 8.891 -13.482 13.078 130 HH11 ARG 21 1HH1 ARG 21 11.174 -15.906 13.959 131 HH12 ARG 21 2HH1 ARG 21 11.478 -16.362 12.319 132 HH21 ARG 21 1HH2 ARG 21 9.268 -14.105 10.990 133 HH22 ARG 21 2HH2 ARG 21 10.400 -15.367 10.665 134 HA PRO 22 HA PRO 22 10.162 -7.424 14.178 135 HB2 PRO 22 2HB PRO 22 12.093 -6.495 12.565 136 HB3 PRO 22 1HB PRO 22 12.187 -6.307 14.321 137 HG2 PRO 22 2HG PRO 22 13.557 -8.303 12.552 138 HG3 PRO 22 1HG PRO 22 14.208 -7.392 13.928 139 HD2 PRO 22 2HD PRO 22 13.334 -10.006 14.069 140 HD3 PRO 22 1HD PRO 22 13.406 -8.901 15.457 141 H ARG 23 H ARG 23 8.883 -7.234 12.379 142 HA ARG 23 HA ARG 23 9.370 -9.112 10.144 143 HB2 ARG 23 2HB ARG 23 6.743 -7.936 11.091 144 HB3 ARG 23 1HB ARG 23 6.941 -9.030 9.727 145 HG2 ARG 23 2HG ARG 23 7.785 -10.761 11.277 146 HG3 ARG 23 1HG ARG 23 7.475 -9.666 12.626 147 HD2 ARG 23 2HD ARG 23 5.097 -9.623 12.054 148 HD3 ARG 23 1HD ARG 23 5.398 -10.691 10.683 149 HE ARG 23 HE ARG 23 6.324 -11.866 13.082 150 HH11 ARG 23 1HH1 ARG 23 3.409 -11.153 11.392 151 HH12 ARG 23 2HH1 ARG 23 2.560 -12.493 12.085 152 HH21 ARG 23 1HH2 ARG 23 5.238 -13.555 13.964 153 HH22 ARG 23 2HH2 ARG 23 3.594 -13.849 13.523 154 H CYS 24 H CYS 24 9.954 -8.205 8.264 155 HA CYS 24 HA CYS 24 9.138 -5.426 7.690 156 HB2 CYS 24 2HB CYS 24 11.375 -7.088 6.504 157 HB3 CYS 24 1HB CYS 24 10.927 -5.485 5.933 158 H GLU 25 H GLU 25 7.485 -5.164 6.305 159 HA GLU 25 HA GLU 25 7.049 -7.228 4.221 160 HB2 GLU 25 2HB GLU 25 4.662 -6.773 4.324 161 HB3 GLU 25 1HB GLU 25 5.260 -7.243 5.908 162 HG2 GLU 25 2HG GLU 25 5.175 -4.976 6.687 163 HG3 GLU 25 1HG GLU 25 4.805 -4.385 5.067 164 H CYS 26 H CYS 26 6.045 -6.478 2.222 165 HA CYS 26 HA CYS 26 7.369 -4.301 1.056 166 HB2 CYS 26 2HB CYS 26 6.266 -6.308 -0.108 167 HB3 CYS 26 1HB CYS 26 4.756 -5.416 0.017 168 H ALA 27 H ALA 27 7.094 -2.363 2.104 169 HA ALA 27 HA ALA 27 4.374 -1.216 2.115 170 HB1 ALA 27 3HB ALA 27 5.167 -1.614 4.382 171 HB2 ALA 27 1HB ALA 27 5.035 0.116 4.065 172 HB3 ALA 27 2HB ALA 27 6.617 -0.665 4.058 173 HA PRO 28 HA PRO 28 6.311 1.978 -0.440 174 HB2 PRO 28 2HB PRO 28 4.104 3.367 -1.019 175 HB3 PRO 28 1HB PRO 28 4.331 1.736 -1.666 176 HG2 PRO 28 2HG PRO 28 2.702 2.618 0.700 177 HG3 PRO 28 1HG PRO 28 2.257 1.500 -0.603 178 HD2 PRO 28 2HD PRO 28 3.170 0.695 1.862 179 HD3 PRO 28 1HD PRO 28 3.347 -0.268 0.381 180 H ASP 29 H ASP 29 5.441 4.636 -0.423 181 HA ASP 29 HA ASP 29 6.103 5.495 2.282 182 HB2 ASP 29 2HB ASP 29 7.196 6.650 0.415 183 HB3 ASP 29 1HB ASP 29 5.625 7.152 -0.210 184 H CYS 30 H CYS 30 4.398 5.258 3.620 185 HA CYS 30 HA CYS 30 1.821 6.473 2.855 186 HB2 CYS 30 2HB CYS 30 2.483 4.687 5.214 187 HB3 CYS 30 1HB CYS 30 0.878 5.273 4.784 188 H SER 31 H SER 31 4.583 7.486 4.128 189 HA SER 31 HA SER 31 3.675 8.807 6.531 190 HB2 SER 31 2HB SER 31 6.001 7.999 6.314 191 HB3 SER 31 1HB SER 31 6.268 9.142 4.999 192 HG SER 31 HG SER 31 7.004 9.921 7.048 193 H GLY 32 H GLY 32 4.226 9.730 3.155 194 HA2 GLY 32 2HA GLY 32 3.902 12.569 3.777 195 HA3 GLY 32 1HA GLY 32 4.309 11.883 2.216 196 H LEU 33 H LEU 33 1.620 10.313 3.579 197 HA LEU 33 HA LEU 33 -0.234 12.067 2.093 198 HB2 LEU 33 2HB LEU 33 -1.403 10.033 1.254 199 HB3 LEU 33 1HB LEU 33 0.224 10.229 0.632 200 HG LEU 33 HG LEU 33 0.925 8.556 2.483 201 HD11 LEU 33 1HD1 LEU 33 -1.170 8.589 3.753 202 HD12 LEU 33 2HD1 LEU 33 -0.784 6.970 3.181 203 HD13 LEU 33 3HD1 LEU 33 -2.026 7.920 2.364 204 HD21 LEU 33 3HD2 LEU 33 -0.740 7.660 0.132 205 HD22 LEU 33 1HD2 LEU 33 0.389 6.648 1.034 206 HD23 LEU 33 2HD2 LEU 33 0.984 8.032 0.119 207 HA PRO 34 HA PRO 34 -2.945 11.444 5.621 208 HB2 PRO 34 2HB PRO 34 -5.267 12.332 4.640 209 HB3 PRO 34 1HB PRO 34 -3.891 13.421 4.857 210 HG2 PRO 34 2HG PRO 34 -4.912 12.135 2.352 211 HG3 PRO 34 1HG PRO 34 -4.302 13.780 2.596 212 HD2 PRO 34 2HD PRO 34 -2.830 11.664 1.552 213 HD3 PRO 34 1HD PRO 34 -2.138 13.137 2.258 214 H ALA 35 H ALA 35 -3.666 9.527 6.379 215 HA ALA 35 HA ALA 35 -4.601 7.435 4.652 216 HB1 ALA 35 3HB ALA 35 -4.588 7.553 7.669 217 HB2 ALA 35 1HB ALA 35 -3.255 6.995 6.656 218 HB3 ALA 35 2HB ALA 35 -4.778 6.106 6.678 219 H ARG 36 H ARG 36 -6.277 10.034 5.214 220 HA ARG 36 HA ARG 36 -8.835 8.656 5.752 221 HB2 ARG 36 2HB ARG 36 -8.107 11.556 6.227 222 HB3 ARG 36 1HB ARG 36 -9.692 10.843 6.515 223 HG2 ARG 36 2HG ARG 36 -8.742 9.382 8.219 224 HG3 ARG 36 1HG ARG 36 -7.137 10.050 7.911 225 HD2 ARG 36 2HD ARG 36 -7.961 12.275 8.591 226 HD3 ARG 36 1HD ARG 36 -9.537 11.565 8.948 227 HE ARG 36 HE ARG 36 -7.530 10.187 10.366 228 HH11 ARG 36 1HH1 ARG 36 -9.175 13.216 10.337 229 HH12 ARG 36 2HH1 ARG 36 -8.964 13.468 12.035 230 HH21 ARG 36 1HH2 ARG 36 -7.231 10.539 12.539 231 HH22 ARG 36 2HH2 ARG 36 -7.879 11.967 13.266 232 H LEU 37 H LEU 37 -7.161 9.493 3.182 233 HA LEU 37 HA LEU 37 -9.396 10.840 1.790 234 HB2 LEU 37 2HB LEU 37 -6.971 11.853 1.964 235 HB3 LEU 37 1HB LEU 37 -6.603 10.719 0.685 236 HG LEU 37 HG LEU 37 -7.068 12.944 -0.213 237 HD11 LEU 37 1HD1 LEU 37 -7.648 11.018 -1.597 238 HD12 LEU 37 2HD1 LEU 37 -8.744 12.369 -1.881 239 HD13 LEU 37 3HD1 LEU 37 -9.269 10.999 -0.902 240 HD21 LEU 37 3HD2 LEU 37 -8.562 13.725 1.567 241 HD22 LEU 37 1HD2 LEU 37 -9.825 12.643 0.980 242 HD23 LEU 37 2HD2 LEU 37 -9.259 13.972 -0.032 243 H GLN 38 H GLN 38 -10.612 9.156 1.032 244 HA GLN 38 HA GLN 38 -9.700 6.703 0.029 245 HB2 GLN 38 2HB GLN 38 -12.236 8.252 -0.530 246 HB3 GLN 38 1HB GLN 38 -11.967 6.607 -1.092 247 HG2 GLN 38 2HG GLN 38 -11.856 5.784 1.154 248 HG3 GLN 38 1HG GLN 38 -11.878 7.419 1.810 249 HE21 GLN 38 1HE2 GLN 38 -13.800 8.537 1.901 250 HE22 GLN 38 2HE2 GLN 38 -15.336 7.790 1.620 251 H VAL 39 H VAL 39 -9.187 5.945 -2.012 252 HA VAL 39 HA VAL 39 -8.917 7.962 -4.160 253 HB VAL 39 HB VAL 39 -6.745 7.050 -4.782 254 HG11 VAL 39 1HG1 VAL 39 -6.852 7.777 -1.850 255 HG12 VAL 39 2HG1 VAL 39 -6.773 8.907 -3.200 256 HG13 VAL 39 3HG1 VAL 39 -5.414 7.833 -2.873 257 HG21 VAL 39 3HG2 VAL 39 -7.050 4.742 -4.076 258 HG22 VAL 39 1HG2 VAL 39 -7.052 5.238 -2.382 259 HG23 VAL 39 2HG2 VAL 39 -5.588 5.408 -3.350 260 H CYS 40 H CYS 40 -8.486 6.940 -6.328 261 HA CYS 40 HA CYS 40 -10.072 4.454 -6.613 262 HB2 CYS 40 2HB CYS 40 -11.188 6.478 -7.526 263 HB3 CYS 40 1HB CYS 40 -9.820 6.719 -8.608 264 H GLY 41 H GLY 41 -9.025 2.752 -7.435 265 HA2 GLY 41 2HA GLY 41 -6.371 3.143 -8.628 266 HA3 GLY 41 1HA GLY 41 -7.038 1.624 -8.058 267 H SER 42 H SER 42 -5.704 1.896 -10.495 268 HA SER 42 HA SER 42 -7.241 2.300 -12.776 269 HB2 SER 42 2HB SER 42 -5.612 0.759 -13.898 270 HB3 SER 42 1HB SER 42 -4.843 2.005 -12.914 271 HG SER 42 HG SER 42 -4.568 -0.631 -12.729 272 H ASP 43 H ASP 43 -7.347 -0.346 -10.547 273 HA ASP 43 HA ASP 43 -8.621 -2.234 -12.284 274 HB2 ASP 43 2HB ASP 43 -7.254 -2.795 -10.242 275 HB3 ASP 43 1HB ASP 43 -8.583 -2.201 -9.254 276 H GLY 44 H GLY 44 -9.763 0.618 -11.048 277 HA2 GLY 44 2HA GLY 44 -11.896 1.518 -11.181 278 HA3 GLY 44 1HA GLY 44 -12.513 -0.070 -11.608 279 H ALA 45 H ALA 45 -10.600 0.354 -8.729 280 HA ALA 45 HA ALA 45 -13.025 -0.059 -7.089 281 HB1 ALA 45 3HB ALA 45 -11.648 -1.349 -5.542 282 HB2 ALA 45 1HB ALA 45 -10.227 -1.068 -6.549 283 HB3 ALA 45 2HB ALA 45 -11.569 -2.033 -7.165 284 H THR 46 H THR 46 -13.422 1.323 -5.460 285 HA THR 46 HA THR 46 -11.583 3.508 -4.904 286 HB THR 46 HB THR 46 -14.327 2.892 -3.765 287 HG1 THR 46 HG1 THR 46 -14.514 3.564 -5.873 288 HG21 THR 46 3HG2 THR 46 -13.013 4.158 -2.137 289 HG22 THR 46 1HG2 THR 46 -14.274 5.172 -2.841 290 HG23 THR 46 2HG2 THR 46 -12.602 5.347 -3.374 291 H TYR 47 H TYR 47 -9.952 3.159 -3.522 292 HA TYR 47 HA TYR 47 -10.212 1.152 -1.410 293 HB2 TYR 47 2HB TYR 47 -7.821 2.746 -2.368 294 HB3 TYR 47 1HB TYR 47 -7.767 1.528 -1.095 295 HD1 TYR 47 HD1 TYR 47 -8.034 -0.853 -1.632 296 HD2 TYR 47 HD2 TYR 47 -8.042 2.105 -4.696 297 HE1 TYR 47 HE1 TYR 47 -7.722 -2.610 -3.324 298 HE2 TYR 47 HE2 TYR 47 -7.730 0.357 -6.393 299 HH TYR 47 HH TYR 47 -6.803 -1.984 -6.483 300 H ARG 48 H ARG 48 -9.441 1.617 0.779 301 HA ARG 48 HA ARG 48 -10.866 3.639 2.016 302 HB2 ARG 48 2HB ARG 48 -8.366 2.300 3.072 303 HB3 ARG 48 1HB ARG 48 -9.582 3.128 4.037 304 HG2 ARG 48 2HG ARG 48 -10.079 0.648 2.386 305 HG3 ARG 48 1HG ARG 48 -9.770 0.665 4.120 306 HD2 ARG 48 2HD ARG 48 -12.133 0.476 3.783 307 HD3 ARG 48 1HD ARG 48 -11.797 2.091 4.403 308 HE ARG 48 HE ARG 48 -11.948 1.947 1.533 309 HH11 ARG 48 1HH1 ARG 48 -13.790 2.286 4.427 310 HH12 ARG 48 2HH1 ARG 48 -15.050 3.182 3.648 311 HH21 ARG 48 1HH2 ARG 48 -13.592 3.099 0.549 312 HH22 ARG 48 2HH2 ARG 48 -14.939 3.636 1.486 313 H ASP 49 H ASP 49 -7.475 3.677 1.022 314 HA ASP 49 HA ASP 49 -7.489 6.526 0.773 315 HB2 ASP 49 2HB ASP 49 -5.717 6.998 2.405 316 HB3 ASP 49 1HB ASP 49 -7.143 6.338 3.200 317 H GLU 50 H GLU 50 -4.944 7.200 0.467 318 HA GLU 50 HA GLU 50 -4.234 5.856 -1.935 319 HB2 GLU 50 2HB GLU 50 -3.843 8.321 -1.363 320 HB3 GLU 50 1HB GLU 50 -2.435 7.779 -0.456 321 HG2 GLU 50 2HG GLU 50 -1.558 6.731 -2.518 322 HG3 GLU 50 1HG GLU 50 -2.931 7.384 -3.404 323 H CYS 51 H CYS 51 -2.920 5.746 1.359 324 HA CYS 51 HA CYS 51 -0.651 4.131 0.763 325 HB2 CYS 51 2HB CYS 51 -0.704 5.261 2.887 326 HB3 CYS 51 1HB CYS 51 -2.216 4.478 3.330 327 H GLU 52 H GLU 52 -3.962 3.354 1.761 328 HA GLU 52 HA GLU 52 -3.861 0.605 1.972 329 HB2 GLU 52 2HB GLU 52 -5.858 2.039 2.391 330 HB3 GLU 52 1HB GLU 52 -6.055 2.231 0.657 331 HG2 GLU 52 2HG GLU 52 -7.619 0.603 1.413 332 HG3 GLU 52 1HG GLU 52 -6.382 -0.228 0.472 333 H LEU 53 H LEU 53 -4.470 2.475 -1.005 334 HA LEU 53 HA LEU 53 -4.527 0.297 -2.800 335 HB2 LEU 53 2HB LEU 53 -5.380 2.618 -3.219 336 HB3 LEU 53 1HB LEU 53 -3.723 3.160 -3.376 337 HG LEU 53 HG LEU 53 -4.899 1.051 -5.197 338 HD11 LEU 53 1HD1 LEU 53 -6.293 3.038 -5.370 339 HD12 LEU 53 2HD1 LEU 53 -5.307 2.850 -6.819 340 HD13 LEU 53 3HD1 LEU 53 -4.865 4.046 -5.600 341 HD21 LEU 53 3HD2 LEU 53 -2.521 2.902 -5.455 342 HD22 LEU 53 1HD2 LEU 53 -3.122 1.848 -6.736 343 HD23 LEU 53 2HD2 LEU 53 -2.483 1.151 -5.250 344 H ARG 54 H ARG 54 -1.893 2.580 -2.050 345 HA ARG 54 HA ARG 54 0.015 1.449 -3.780 346 HB2 ARG 54 2HB ARG 54 0.340 3.153 -1.299 347 HB3 ARG 54 1HB ARG 54 1.666 2.747 -2.383 348 HG2 ARG 54 2HG ARG 54 0.729 3.980 -4.163 349 HG3 ARG 54 1HG ARG 54 -0.831 4.120 -3.356 350 HD2 ARG 54 2HD ARG 54 0.348 6.230 -3.253 351 HD3 ARG 54 1HD ARG 54 0.204 5.546 -1.636 352 HE ARG 54 HE ARG 54 2.667 4.754 -2.631 353 HH11 ARG 54 1HH1 ARG 54 1.077 7.731 -1.911 354 HH12 ARG 54 2HH1 ARG 54 2.545 8.523 -1.461 355 HH21 ARG 54 1HH2 ARG 54 4.542 5.817 -2.097 356 HH22 ARG 54 2HH2 ARG 54 4.473 7.459 -1.569 357 H ALA 55 H ALA 55 -0.871 0.616 -0.487 358 HA ALA 55 HA ALA 55 1.351 -1.108 0.024 359 HB1 ALA 55 3HB ALA 55 0.041 -0.197 1.856 360 HB2 ALA 55 1HB ALA 55 -0.005 -1.959 1.894 361 HB3 ALA 55 2HB ALA 55 -1.394 -1.053 1.289 362 H ALA 56 H ALA 56 -1.961 -1.649 -1.151 363 HA ALA 56 HA ALA 56 -1.791 -4.437 -1.519 364 HB1 ALA 56 3HB ALA 56 -3.431 -2.445 -3.095 365 HB2 ALA 56 1HB ALA 56 -3.909 -3.198 -1.573 366 HB3 ALA 56 2HB ALA 56 -3.700 -4.188 -3.018 367 H ARG 57 H ARG 57 -0.929 -1.735 -3.632 368 HA ARG 57 HA ARG 57 -0.148 -3.220 -5.892 369 HB2 ARG 57 2HB ARG 57 -0.466 -0.839 -6.077 370 HB3 ARG 57 1HB ARG 57 0.771 -0.527 -4.864 371 HG2 ARG 57 2HG ARG 57 2.496 -1.346 -6.361 372 HG3 ARG 57 1HG ARG 57 1.279 -1.770 -7.567 373 HD2 ARG 57 2HD ARG 57 0.676 0.578 -7.811 374 HD3 ARG 57 1HD ARG 57 1.835 1.022 -6.559 375 HE ARG 57 HE ARG 57 3.604 0.402 -8.049 376 HH11 ARG 57 1HH1 ARG 57 0.481 0.463 -9.520 377 HH12 ARG 57 2HH1 ARG 57 1.124 0.643 -11.116 378 HH21 ARG 57 1HH2 ARG 57 4.398 0.614 -10.105 379 HH22 ARG 57 2HH2 ARG 57 3.311 0.731 -11.442 380 H CYS 58 H CYS 58 1.758 -2.010 -3.142 381 HA CYS 58 HA CYS 58 4.272 -2.977 -3.852 382 HB2 CYS 58 2HB CYS 58 3.541 -1.497 -1.847 383 HB3 CYS 58 1HB CYS 58 3.288 -3.013 -0.996 384 H ARG 59 H ARG 59 1.637 -4.605 -2.118 385 HA ARG 59 HA ARG 59 3.181 -7.040 -1.797 386 HB2 ARG 59 2HB ARG 59 1.621 -6.198 -0.036 387 HB3 ARG 59 1HB ARG 59 0.274 -6.525 -1.119 388 HG2 ARG 59 2HG ARG 59 0.853 -8.918 -1.103 389 HG3 ARG 59 1HG ARG 59 2.193 -8.575 -0.006 390 HD2 ARG 59 2HD ARG 59 -0.726 -8.061 0.581 391 HD3 ARG 59 1HD ARG 59 0.208 -9.434 1.172 392 HE ARG 59 HE ARG 59 1.309 -6.856 1.866 393 HH11 ARG 59 1HH1 ARG 59 -0.826 -9.392 2.802 394 HH12 ARG 59 2HH1 ARG 59 -0.807 -8.941 4.472 395 HH21 ARG 59 1HH2 ARG 59 1.333 -6.292 4.033 396 HH22 ARG 59 2HH2 ARG 59 0.419 -7.233 5.161 397 H GLY 60 H GLY 60 3.240 -6.862 -4.384 398 HA2 GLY 60 2HA GLY 60 3.097 -8.495 -6.029 399 HA3 GLY 60 1HA GLY 60 1.831 -9.283 -5.112 400 H HIS 61 H HIS 61 1.444 -5.893 -5.971 401 HA HIS 61 HA HIS 61 -0.160 -6.664 -8.325 402 HB2 HIS 61 2HB HIS 61 -1.092 -4.850 -6.090 403 HB3 HIS 61 1HB HIS 61 -1.888 -4.953 -7.656 404 HD1 HIS 61 HD1 HIS 61 -3.088 -7.229 -8.216 405 HD2 HIS 61 HD2 HIS 61 -1.691 -6.895 -4.320 406 HE1 HIS 61 HE1 HIS 61 -4.231 -9.057 -6.939 407 HE2 HIS 61 HE2 HIS 61 -3.232 -8.946 -4.638 408 HA PRO 62 HA PRO 62 2.672 -3.093 -9.269 409 HB2 PRO 62 2HB PRO 62 3.770 -4.106 -11.520 410 HB3 PRO 62 1HB PRO 62 4.342 -4.552 -9.908 411 HG2 PRO 62 2HG PRO 62 2.495 -6.048 -11.739 412 HG3 PRO 62 1HG PRO 62 3.855 -6.659 -10.778 413 HD2 PRO 62 2HD PRO 62 1.257 -6.883 -9.984 414 HD3 PRO 62 1HD PRO 62 2.610 -6.757 -8.843 415 H ASP 63 H ASP 63 0.208 -4.742 -11.108 416 HA ASP 63 HA ASP 63 0.082 -2.782 -13.230 417 HB2 ASP 63 2HB ASP 63 -0.531 -5.079 -13.712 418 HB3 ASP 63 1HB ASP 63 -1.765 -5.054 -12.457 419 H LEU 64 H LEU 64 -1.276 -3.158 -10.083 420 HA LEU 64 HA LEU 64 -3.543 -1.434 -10.447 421 HB2 LEU 64 2HB LEU 64 -3.525 -3.124 -8.693 422 HB3 LEU 64 1HB LEU 64 -2.124 -2.376 -7.945 423 HG LEU 64 HG LEU 64 -3.483 -0.371 -7.437 424 HD11 LEU 64 1HD1 LEU 64 -5.111 -0.513 -9.239 425 HD12 LEU 64 2HD1 LEU 64 -5.922 -0.456 -7.674 426 HD13 LEU 64 3HD1 LEU 64 -5.782 -1.987 -8.540 427 HD21 LEU 64 3HD2 LEU 64 -4.823 -1.372 -5.656 428 HD22 LEU 64 1HD2 LEU 64 -3.237 -2.134 -5.767 429 HD23 LEU 64 2HD2 LEU 64 -4.658 -2.957 -6.412 430 H SER 65 H SER 65 -3.298 0.676 -10.903 431 HA SER 65 HA SER 65 -1.278 2.224 -9.389 432 HB2 SER 65 2HB SER 65 -1.103 3.717 -11.390 433 HB3 SER 65 1HB SER 65 -0.558 2.070 -11.703 434 HG SER 65 HG SER 65 -2.033 1.924 -13.179 435 H VAL 66 H VAL 66 -1.898 4.175 -8.523 436 HA VAL 66 HA VAL 66 -4.688 4.674 -8.202 437 HB VAL 66 HB VAL 66 -3.187 5.204 -6.386 438 HG11 VAL 66 1HG1 VAL 66 -1.574 7.047 -6.493 439 HG12 VAL 66 2HG1 VAL 66 -1.934 7.267 -8.205 440 HG13 VAL 66 3HG1 VAL 66 -1.178 5.773 -7.648 441 HG21 VAL 66 3HG2 VAL 66 -4.397 7.732 -7.527 442 HG22 VAL 66 1HG2 VAL 66 -3.939 7.474 -5.843 443 HG23 VAL 66 2HG2 VAL 66 -5.244 6.526 -6.557 444 H MET 67 H MET 67 -5.956 5.570 -9.697 445 HA MET 67 HA MET 67 -4.878 7.082 -11.898 446 HB2 MET 67 2HB MET 67 -7.732 6.461 -11.106 447 HB3 MET 67 1HB MET 67 -7.266 7.251 -12.604 448 HG2 MET 67 2HG MET 67 -6.383 4.483 -11.799 449 HG3 MET 67 1HG MET 67 -7.764 4.831 -12.835 450 HE1 MET 67 3HE MET 67 -3.881 5.923 -12.596 451 HE2 MET 67 1HE MET 67 -3.325 5.022 -14.007 452 HE3 MET 67 2HE MET 67 -4.023 4.166 -12.633 453 H TYR 68 H TYR 68 -6.866 7.827 -9.065 454 HA TYR 68 HA TYR 68 -5.911 10.490 -8.898 455 HB2 TYR 68 2HB TYR 68 -8.151 11.625 -9.249 456 HB3 TYR 68 1HB TYR 68 -7.372 11.032 -10.711 457 HD1 TYR 68 HD1 TYR 68 -10.200 10.566 -8.407 458 HD2 TYR 68 HD2 TYR 68 -8.319 9.178 -11.965 459 HE1 TYR 68 HE1 TYR 68 -12.229 9.306 -8.989 460 HE2 TYR 68 HE2 TYR 68 -10.341 7.917 -12.551 461 HH TYR 68 HH TYR 68 -12.281 6.954 -11.461 462 H ARG 69 H ARG 69 -6.972 11.723 -7.118 463 HA ARG 69 HA ARG 69 -7.734 9.887 -4.964 464 HB2 ARG 69 2HB ARG 69 -6.709 12.718 -5.024 465 HB3 ARG 69 1HB ARG 69 -7.457 12.068 -3.574 466 HG2 ARG 69 2HG ARG 69 -5.122 11.818 -3.312 467 HG3 ARG 69 1HG ARG 69 -5.772 10.214 -3.638 468 HD2 ARG 69 2HD ARG 69 -3.761 10.444 -4.899 469 HD3 ARG 69 1HD ARG 69 -5.104 10.524 -6.038 470 HE ARG 69 HE ARG 69 -4.584 12.730 -6.469 471 HH11 ARG 69 1HH1 ARG 69 -2.676 11.554 -3.843 472 HH12 ARG 69 2HH1 ARG 69 -1.626 12.930 -3.853 473 HH21 ARG 69 1HH2 ARG 69 -3.240 14.489 -6.461 474 HH22 ARG 69 2HH2 ARG 69 -1.950 14.582 -5.315 475 H GLY 70 H GLY 70 -9.543 10.314 -3.565 476 HA2 GLY 70 2HA GLY 70 -11.565 11.377 -2.967 477 HA3 GLY 70 1HA GLY 70 -11.544 12.254 -4.487 478 H ARG 71 H ARG 71 -11.423 8.775 -3.711 479 HA ARG 71 HA ARG 71 -12.691 6.998 -4.335 480 HB2 ARG 71 2HB ARG 71 -14.835 9.119 -4.517 481 HB3 ARG 71 1HB ARG 71 -15.151 7.399 -4.703 482 HG2 ARG 71 2HG ARG 71 -14.201 7.062 -2.409 483 HG3 ARG 71 1HG ARG 71 -14.144 8.819 -2.243 484 HD2 ARG 71 2HD ARG 71 -16.175 7.794 -1.234 485 HD3 ARG 71 1HD ARG 71 -16.536 8.971 -2.495 486 HE ARG 71 HE ARG 71 -17.197 7.212 -3.927 487 HH11 ARG 71 1HH1 ARG 71 -16.360 6.099 -0.767 488 HH12 ARG 71 2HH1 ARG 71 -17.141 4.575 -0.981 489 HH21 ARG 71 1HH2 ARG 71 -18.180 5.231 -4.188 490 HH22 ARG 71 2HH2 ARG 71 -18.148 4.083 -2.894 491 H CYS 72 H CYS 72 -14.122 6.062 -6.155 492 HA CYS 72 HA CYS 72 -12.985 6.818 -8.709 493 HB2 CYS 72 2HB CYS 72 -14.916 4.637 -7.907 494 HB3 CYS 72 1HB CYS 72 -14.418 4.906 -9.574 495 H ARG 73 H ARG 73 -13.770 8.460 -9.819 496 HA ARG 73 HA ARG 73 -16.696 8.850 -9.972 497 HB2 ARG 73 2HB ARG 73 -14.454 10.884 -10.044 498 HB3 ARG 73 1HB ARG 73 -16.116 11.263 -10.483 499 HG2 ARG 73 2HG ARG 73 -16.896 10.916 -8.290 500 HG3 ARG 73 1HG ARG 73 -15.417 10.086 -7.804 501 HD2 ARG 73 2HD ARG 73 -15.506 12.989 -8.621 502 HD3 ARG 73 1HD ARG 73 -15.670 12.441 -6.952 503 HE ARG 73 HE ARG 73 -13.374 11.266 -7.768 504 HH11 ARG 73 1HH1 ARG 73 -14.496 14.526 -7.756 505 HH12 ARG 73 2HH1 ARG 73 -12.905 15.184 -7.619 506 HH21 ARG 73 1HH2 ARG 73 -11.342 12.128 -7.567 507 HH22 ARG 73 2HH2 ARG 73 -11.142 13.841 -7.514 508 H LYS 74 H LYS 74 -17.337 7.978 -11.852 509 HA LYS 74 HA LYS 74 -15.825 8.598 -14.312 510 HB2 LYS 74 2HB LYS 74 -15.205 6.345 -13.657 511 HB3 LYS 74 1HB LYS 74 -16.891 5.892 -13.470 512 HG2 LYS 74 2HG LYS 74 -16.020 4.960 -15.512 513 HG3 LYS 74 1HG LYS 74 -17.228 6.187 -15.891 514 HD2 LYS 74 2HD LYS 74 -15.332 6.394 -17.393 515 HD3 LYS 74 1HD LYS 74 -15.411 7.804 -16.338 516 HE2 LYS 74 2HE LYS 74 -13.650 6.867 -14.928 517 HE3 LYS 74 1HE LYS 74 -13.604 5.416 -15.931 518 HZ1 LYS 74 3HZ LYS 74 -12.899 6.771 -17.797 519 HZ2 LYS 74 1HZ LYS 74 -11.827 6.941 -16.504 520 HZ3 LYS 74 2HZ LYS 74 -12.943 8.166 -16.844 Start of MODEL 15 1 H1 SER 1 1H SER 1 7.449 4.100 15.495 2 H2 SER 1 2H SER 1 7.374 5.557 14.640 3 H3 SER 1 3H SER 1 7.972 5.537 16.219 4 HA SER 1 HA SER 1 9.217 4.203 13.886 5 HB2 SER 1 2HB SER 1 10.997 5.916 14.110 6 HB3 SER 1 1HB SER 1 9.434 6.638 13.734 7 HG SER 1 HG SER 1 10.799 6.588 16.223 8 H ASP 2 H ASP 2 9.466 2.244 15.053 9 HA ASP 2 HA ASP 2 11.153 2.289 17.437 10 HB2 ASP 2 2HB ASP 2 9.188 0.746 17.258 11 HB3 ASP 2 1HB ASP 2 10.007 -0.090 15.943 12 H SER 3 H SER 3 13.304 1.773 17.452 13 HA SER 3 HA SER 3 14.758 1.839 15.016 14 HB2 SER 3 2HB SER 3 15.699 1.074 17.796 15 HB3 SER 3 1HB SER 3 16.752 1.423 16.427 16 HG SER 3 HG SER 3 15.917 3.536 16.391 17 H CYS 4 H CYS 4 15.449 0.265 13.694 18 HA CYS 4 HA CYS 4 14.614 -2.488 14.310 19 HB2 CYS 4 2HB CYS 4 15.569 -1.395 11.652 20 HB3 CYS 4 1HB CYS 4 14.671 -2.881 11.943 21 H ASP 5 H ASP 5 16.046 -4.100 14.663 22 HA ASP 5 HA ASP 5 18.876 -3.473 14.718 23 HB2 ASP 5 2HB ASP 5 17.855 -4.731 16.561 24 HB3 ASP 5 1HB ASP 5 17.395 -6.015 15.448 25 H GLY 6 H GLY 6 20.041 -3.608 12.891 26 HA2 GLY 6 2HA GLY 6 21.067 -4.527 11.050 27 HA3 GLY 6 1HA GLY 6 20.386 -6.070 11.526 28 H VAL 7 H VAL 7 17.801 -4.006 11.156 29 HA VAL 7 HA VAL 7 17.345 -5.005 8.416 30 HB VAL 7 HB VAL 7 15.126 -3.958 10.152 31 HG11 VAL 7 1HG1 VAL 7 14.637 -4.421 7.814 32 HG12 VAL 7 2HG1 VAL 7 13.779 -5.550 8.863 33 HG13 VAL 7 3HG1 VAL 7 15.226 -6.074 7.998 34 HG21 VAL 7 3HG2 VAL 7 16.237 -5.542 11.603 35 HG22 VAL 7 1HG2 VAL 7 16.261 -6.753 10.319 36 HG23 VAL 7 2HG2 VAL 7 14.723 -6.232 11.017 37 H GLU 8 H GLU 8 16.948 -3.600 6.751 38 HA GLU 8 HA GLU 8 16.882 -0.726 7.292 39 HB2 GLU 8 2HB GLU 8 16.928 -2.301 4.707 40 HB3 GLU 8 1HB GLU 8 16.790 -0.552 4.765 41 HG2 GLU 8 2HG GLU 8 19.059 -1.122 4.308 42 HG3 GLU 8 1HG GLU 8 18.971 -0.458 5.938 43 H CYS 9 H CYS 9 14.935 0.041 7.943 44 HA CYS 9 HA CYS 9 12.572 -0.604 6.329 45 HB2 CYS 9 2HB CYS 9 12.604 -0.897 9.347 46 HB3 CYS 9 1HB CYS 9 11.214 -1.142 8.288 47 H GLY 10 H GLY 10 10.592 0.702 7.376 48 HA2 GLY 10 2HA GLY 10 10.240 2.918 8.556 49 HA3 GLY 10 1HA GLY 10 11.572 3.495 7.563 50 HA PRO 11 HA PRO 11 8.670 4.801 4.471 51 HB2 PRO 11 2HB PRO 11 10.061 4.251 2.159 52 HB3 PRO 11 1HB PRO 11 10.356 5.657 3.187 53 HG2 PRO 11 2HG PRO 11 11.813 3.038 3.098 54 HG3 PRO 11 1HG PRO 11 12.472 4.681 3.216 55 HD2 PRO 11 2HD PRO 11 12.280 3.096 5.375 56 HD3 PRO 11 1HD PRO 11 11.987 4.845 5.488 57 H GLY 12 H GLY 12 7.038 3.239 4.831 58 HA2 GLY 12 2HA GLY 12 5.470 1.828 3.835 59 HA3 GLY 12 1HA GLY 12 6.640 1.451 2.581 60 H LYS 13 H LYS 13 7.949 1.090 5.699 61 HA LYS 13 HA LYS 13 7.134 -1.709 5.992 62 HB2 LYS 13 2HB LYS 13 10.021 -0.866 5.631 63 HB3 LYS 13 1HB LYS 13 9.516 -2.454 6.185 64 HG2 LYS 13 2HG LYS 13 8.444 -2.897 4.057 65 HG3 LYS 13 1HG LYS 13 8.826 -1.270 3.496 66 HD2 LYS 13 2HD LYS 13 10.821 -3.425 4.212 67 HD3 LYS 13 1HD LYS 13 10.401 -2.900 2.580 68 HE2 LYS 13 2HE LYS 13 11.292 -0.683 3.030 69 HE3 LYS 13 1HE LYS 13 11.622 -1.129 4.703 70 HZ1 LYS 13 3HZ LYS 13 12.911 -2.294 2.291 71 HZ2 LYS 13 1HZ LYS 13 13.197 -2.791 3.884 72 HZ3 LYS 13 2HZ LYS 13 13.621 -1.229 3.400 73 H ALA 14 H ALA 14 7.060 -2.346 8.086 74 HA ALA 14 HA ALA 14 8.379 -0.650 10.120 75 HB1 ALA 14 3HB ALA 14 5.744 -2.111 10.402 76 HB2 ALA 14 1HB ALA 14 5.937 -0.373 10.163 77 HB3 ALA 14 2HB ALA 14 6.529 -1.131 11.641 78 H CYS 15 H CYS 15 9.500 -1.700 11.776 79 HA CYS 15 HA CYS 15 9.925 -4.575 11.333 80 HB2 CYS 15 2HB CYS 15 11.992 -4.272 12.714 81 HB3 CYS 15 1HB CYS 15 11.972 -3.349 11.216 82 H ARG 16 H ARG 16 8.580 -5.757 12.483 83 HA ARG 16 HA ARG 16 8.156 -5.163 15.340 84 HB2 ARG 16 2HB ARG 16 6.117 -5.321 14.051 85 HB3 ARG 16 1HB ARG 16 6.619 -6.849 13.351 86 HG2 ARG 16 2HG ARG 16 6.427 -7.912 15.561 87 HG3 ARG 16 1HG ARG 16 5.890 -6.372 16.240 88 HD2 ARG 16 2HD ARG 16 4.016 -7.920 15.691 89 HD3 ARG 16 1HD ARG 16 3.923 -6.376 14.840 90 HE ARG 16 HE ARG 16 5.208 -8.536 13.395 91 HH11 ARG 16 1HH1 ARG 16 2.270 -6.829 13.979 92 HH12 ARG 16 2HH1 ARG 16 1.575 -7.311 12.472 93 HH21 ARG 16 1HH2 ARG 16 4.291 -9.144 11.472 94 HH22 ARG 16 2HH2 ARG 16 2.696 -8.603 11.076 95 H MET 17 H MET 17 9.217 -6.390 16.799 96 HA MET 17 HA MET 17 10.864 -8.565 15.855 97 HB2 MET 17 2HB MET 17 10.554 -7.437 18.643 98 HB3 MET 17 1HB MET 17 11.769 -8.609 18.145 99 HG2 MET 17 2HG MET 17 12.530 -6.875 16.450 100 HG3 MET 17 1HG MET 17 11.516 -5.729 17.324 101 HE1 MET 17 3HE MET 17 14.594 -8.154 17.535 102 HE2 MET 17 1HE MET 17 13.561 -8.736 18.841 103 HE3 MET 17 2HE MET 17 15.096 -7.952 19.214 104 H LEU 18 H LEU 18 9.981 -10.474 15.522 105 HA LEU 18 HA LEU 18 8.068 -11.560 17.502 106 HB2 LEU 18 2HB LEU 18 8.261 -12.164 14.544 107 HB3 LEU 18 1HB LEU 18 7.139 -12.921 15.661 108 HG LEU 18 HG LEU 18 7.165 -9.985 14.926 109 HD11 LEU 18 1HD1 LEU 18 5.059 -10.482 13.773 110 HD12 LEU 18 2HD1 LEU 18 5.262 -12.196 14.137 111 HD13 LEU 18 3HD1 LEU 18 6.409 -11.378 13.076 112 HD21 LEU 18 3HD2 LEU 18 5.036 -9.892 16.152 113 HD22 LEU 18 1HD2 LEU 18 6.384 -10.323 17.203 114 HD23 LEU 18 2HD2 LEU 18 5.260 -11.568 16.655 115 H GLY 19 H GLY 19 9.052 -13.048 18.740 116 HA2 GLY 19 2HA GLY 19 10.102 -15.044 19.267 117 HA3 GLY 19 1HA GLY 19 10.313 -15.344 17.550 118 H GLY 20 H GLY 20 11.477 -12.354 18.871 119 HA2 GLY 20 2HA GLY 20 13.645 -11.886 19.754 120 HA3 GLY 20 1HA GLY 20 14.217 -13.412 19.108 121 H ARG 21 H ARG 21 12.767 -12.646 16.488 122 HA ARG 21 HA ARG 21 14.976 -10.978 15.471 123 HB2 ARG 21 2HB ARG 21 14.501 -11.941 13.261 124 HB3 ARG 21 1HB ARG 21 14.856 -13.186 14.451 125 HG2 ARG 21 2HG ARG 21 12.558 -13.814 14.604 126 HG3 ARG 21 1HG ARG 21 12.052 -12.413 13.656 127 HD2 ARG 21 2HD ARG 21 12.018 -14.451 12.308 128 HD3 ARG 21 1HD ARG 21 13.205 -13.301 11.699 129 HE ARG 21 HE ARG 21 14.058 -15.496 13.451 130 HH11 ARG 21 1HH1 ARG 21 14.172 -13.892 10.398 131 HH12 ARG 21 2HH1 ARG 21 15.495 -14.851 9.828 132 HH21 ARG 21 1HH2 ARG 21 15.738 -16.724 12.694 133 HH22 ARG 21 2HH2 ARG 21 16.345 -16.456 11.092 134 HA PRO 22 HA PRO 22 11.947 -7.776 14.534 135 HB2 PRO 22 2HB PRO 22 13.620 -6.100 13.212 136 HB3 PRO 22 1HB PRO 22 13.622 -6.259 14.973 137 HG2 PRO 22 2HG PRO 22 15.476 -7.480 12.960 138 HG3 PRO 22 1HG PRO 22 15.851 -6.757 14.536 139 HD2 PRO 22 2HD PRO 22 15.670 -9.454 14.121 140 HD3 PRO 22 1HD PRO 22 15.321 -8.679 15.681 141 H ARG 23 H ARG 23 10.485 -8.369 13.011 142 HA ARG 23 HA ARG 23 11.383 -9.086 10.311 143 HB2 ARG 23 2HB ARG 23 8.609 -9.245 11.518 144 HB3 ARG 23 1HB ARG 23 9.105 -9.905 9.967 145 HG2 ARG 23 2HG ARG 23 10.611 -11.465 11.125 146 HG3 ARG 23 1HG ARG 23 10.078 -10.809 12.676 147 HD2 ARG 23 2HD ARG 23 7.753 -11.470 12.107 148 HD3 ARG 23 1HD ARG 23 8.356 -12.207 10.623 149 HE ARG 23 HE ARG 23 9.679 -13.239 12.920 150 HH11 ARG 23 1HH1 ARG 23 6.751 -13.434 11.132 151 HH12 ARG 23 2HH1 ARG 23 6.430 -15.060 11.616 152 HH21 ARG 23 1HH2 ARG 23 9.231 -15.323 13.568 153 HH22 ARG 23 2HH2 ARG 23 7.817 -16.114 12.972 154 H CYS 24 H CYS 24 10.737 -7.989 8.457 155 HA CYS 24 HA CYS 24 8.932 -5.679 8.789 156 HB2 CYS 24 2HB CYS 24 11.605 -5.720 7.412 157 HB3 CYS 24 1HB CYS 24 10.351 -4.609 6.879 158 H GLU 25 H GLU 25 7.288 -5.653 7.412 159 HA GLU 25 HA GLU 25 7.683 -6.703 4.706 160 HB2 GLU 25 2HB GLU 25 5.388 -7.647 4.684 161 HB3 GLU 25 1HB GLU 25 6.464 -8.481 5.790 162 HG2 GLU 25 2HG GLU 25 4.498 -6.375 6.670 163 HG3 GLU 25 1HG GLU 25 4.119 -8.094 6.605 164 H CYS 26 H CYS 26 6.058 -5.860 3.172 165 HA CYS 26 HA CYS 26 6.040 -3.089 3.158 166 HB2 CYS 26 2HB CYS 26 5.748 -4.606 1.183 167 HB3 CYS 26 1HB CYS 26 4.077 -4.845 1.678 168 H ALA 27 H ALA 27 5.190 -2.086 4.939 169 HA ALA 27 HA ALA 27 2.308 -2.461 5.491 170 HB1 ALA 27 3HB ALA 27 3.719 -3.274 7.322 171 HB2 ALA 27 1HB ALA 27 2.759 -1.881 7.819 172 HB3 ALA 27 2HB ALA 27 4.474 -1.686 7.451 173 HA PRO 28 HA PRO 28 1.890 1.804 4.313 174 HB2 PRO 28 2HB PRO 28 -0.620 1.876 5.845 175 HB3 PRO 28 1HB PRO 28 -0.363 2.019 4.104 176 HG2 PRO 28 2HG PRO 28 -1.495 -0.167 5.214 177 HG3 PRO 28 1HG PRO 28 -0.476 -0.259 3.765 178 HD2 PRO 28 2HD PRO 28 0.224 -0.888 6.615 179 HD3 PRO 28 1HD PRO 28 0.651 -1.766 5.130 180 H ASP 29 H ASP 29 3.644 2.581 5.678 181 HA ASP 29 HA ASP 29 3.218 3.534 8.319 182 HB2 ASP 29 2HB ASP 29 5.480 3.279 7.567 183 HB3 ASP 29 1HB ASP 29 5.202 4.310 6.168 184 H CYS 30 H CYS 30 3.679 5.576 5.431 185 HA CYS 30 HA CYS 30 2.769 7.541 4.759 186 HB2 CYS 30 2HB CYS 30 0.301 6.415 6.094 187 HB3 CYS 30 1HB CYS 30 0.318 7.771 4.970 188 H SER 31 H SER 31 4.248 8.522 6.413 189 HA SER 31 HA SER 31 2.935 9.716 8.717 190 HB2 SER 31 2HB SER 31 5.738 10.099 7.614 191 HB3 SER 31 1HB SER 31 5.140 10.817 9.110 192 HG SER 31 HG SER 31 5.369 8.035 8.534 193 H GLY 32 H GLY 32 3.817 10.613 5.458 194 HA2 GLY 32 2HA GLY 32 3.352 13.447 5.863 195 HA3 GLY 32 1HA GLY 32 3.730 12.655 4.343 196 H LEU 33 H LEU 33 1.845 11.117 3.606 197 HA LEU 33 HA LEU 33 -0.381 12.859 3.164 198 HB2 LEU 33 2HB LEU 33 -1.246 11.181 1.676 199 HB3 LEU 33 1HB LEU 33 0.472 11.372 1.394 200 HG LEU 33 HG LEU 33 -0.593 9.134 3.119 201 HD11 LEU 33 1HD1 LEU 33 -1.723 8.947 0.973 202 HD12 LEU 33 2HD1 LEU 33 -0.507 7.684 1.141 203 HD13 LEU 33 3HD1 LEU 33 -0.182 9.087 0.127 204 HD21 LEU 33 3HD2 LEU 33 1.954 9.476 1.533 205 HD22 LEU 33 1HD2 LEU 33 1.505 8.041 2.454 206 HD23 LEU 33 2HD2 LEU 33 1.793 9.568 3.288 207 HA PRO 34 HA PRO 34 -3.121 11.397 6.393 208 HB2 PRO 34 2HB PRO 34 -5.340 12.305 4.675 209 HB3 PRO 34 1HB PRO 34 -4.837 12.900 6.258 210 HG2 PRO 34 2HG PRO 34 -4.474 14.355 4.029 211 HG3 PRO 34 1HG PRO 34 -3.304 14.387 5.363 212 HD2 PRO 34 2HD PRO 34 -3.176 12.872 2.766 213 HD3 PRO 34 1HD PRO 34 -1.903 13.800 3.592 214 H ALA 35 H ALA 35 -3.577 9.260 6.621 215 HA ALA 35 HA ALA 35 -4.425 7.596 4.437 216 HB1 ALA 35 3HB ALA 35 -4.387 6.958 7.392 217 HB2 ALA 35 1HB ALA 35 -3.020 6.758 6.291 218 HB3 ALA 35 2HB ALA 35 -4.485 5.801 6.064 219 H ARG 36 H ARG 36 -6.258 9.280 4.132 220 HA ARG 36 HA ARG 36 -8.758 8.173 5.123 221 HB2 ARG 36 2HB ARG 36 -8.017 11.081 5.578 222 HB3 ARG 36 1HB ARG 36 -9.626 10.413 5.804 223 HG2 ARG 36 2HG ARG 36 -7.176 9.573 7.349 224 HG3 ARG 36 1HG ARG 36 -8.394 10.718 7.913 225 HD2 ARG 36 2HD ARG 36 -8.880 7.820 7.208 226 HD3 ARG 36 1HD ARG 36 -8.755 8.473 8.840 227 HE ARG 36 HE ARG 36 -10.963 8.879 6.960 228 HH11 ARG 36 1HH1 ARG 36 -9.597 9.440 10.079 229 HH12 ARG 36 2HH1 ARG 36 -11.123 9.868 10.775 230 HH21 ARG 36 1HH2 ARG 36 -12.887 9.461 7.858 231 HH22 ARG 36 2HH2 ARG 36 -12.959 9.909 9.532 232 H LEU 37 H LEU 37 -7.055 10.487 3.084 233 HA LEU 37 HA LEU 37 -9.263 11.271 1.491 234 HB2 LEU 37 2HB LEU 37 -7.279 12.635 1.620 235 HB3 LEU 37 1HB LEU 37 -6.290 11.343 0.971 236 HG LEU 37 HG LEU 37 -7.513 11.536 -1.193 237 HD11 LEU 37 1HD1 LEU 37 -9.618 12.435 -0.354 238 HD12 LEU 37 2HD1 LEU 37 -8.937 13.487 -1.594 239 HD13 LEU 37 3HD1 LEU 37 -8.808 13.935 0.107 240 HD21 LEU 37 3HD2 LEU 37 -5.393 12.708 -0.873 241 HD22 LEU 37 1HD2 LEU 37 -6.252 14.101 -0.213 242 HD23 LEU 37 2HD2 LEU 37 -6.482 13.641 -1.900 243 H GLN 38 H GLN 38 -10.422 9.866 0.341 244 HA GLN 38 HA GLN 38 -9.580 7.342 -0.533 245 HB2 GLN 38 2HB GLN 38 -11.897 9.024 -1.507 246 HB3 GLN 38 1HB GLN 38 -11.673 7.317 -1.874 247 HG2 GLN 38 2HG GLN 38 -11.796 6.815 0.539 248 HG3 GLN 38 1HG GLN 38 -12.102 8.523 0.853 249 HE21 GLN 38 1HE2 GLN 38 -13.404 5.584 -0.478 250 HE22 GLN 38 2HE2 GLN 38 -15.044 6.120 -0.545 251 H VAL 39 H VAL 39 -9.142 6.488 -2.563 252 HA VAL 39 HA VAL 39 -8.672 8.332 -4.805 253 HB VAL 39 HB VAL 39 -6.528 7.269 -5.359 254 HG11 VAL 39 1HG1 VAL 39 -6.577 8.379 -2.550 255 HG12 VAL 39 2HG1 VAL 39 -6.481 9.316 -4.040 256 HG13 VAL 39 3HG1 VAL 39 -5.153 8.250 -3.580 257 HG21 VAL 39 3HG2 VAL 39 -6.896 5.084 -4.341 258 HG22 VAL 39 1HG2 VAL 39 -6.842 5.804 -2.732 259 HG23 VAL 39 2HG2 VAL 39 -5.398 5.797 -3.743 260 H CYS 40 H CYS 40 -8.717 7.308 -6.891 261 HA CYS 40 HA CYS 40 -10.042 4.666 -6.864 262 HB2 CYS 40 2HB CYS 40 -11.366 6.451 -7.903 263 HB3 CYS 40 1HB CYS 40 -10.058 6.784 -9.031 264 H GLY 41 H GLY 41 -8.949 2.949 -7.558 265 HA2 GLY 41 2HA GLY 41 -6.299 3.307 -8.695 266 HA3 GLY 41 1HA GLY 41 -7.017 1.793 -8.171 267 H SER 42 H SER 42 -5.542 1.941 -10.489 268 HA SER 42 HA SER 42 -6.846 2.404 -12.889 269 HB2 SER 42 2HB SER 42 -5.300 0.658 -13.835 270 HB3 SER 42 1HB SER 42 -4.493 1.874 -12.845 271 HG SER 42 HG SER 42 -4.251 -0.655 -12.544 272 H ASP 43 H ASP 43 -7.056 -0.426 -10.792 273 HA ASP 43 HA ASP 43 -8.471 -2.172 -12.435 274 HB2 ASP 43 2HB ASP 43 -7.516 -2.868 -10.313 275 HB3 ASP 43 1HB ASP 43 -8.607 -1.804 -9.433 276 H GLY 44 H GLY 44 -9.598 0.694 -10.777 277 HA2 GLY 44 2HA GLY 44 -11.614 1.783 -11.543 278 HA3 GLY 44 1HA GLY 44 -12.319 0.202 -11.832 279 H ALA 45 H ALA 45 -10.791 -0.151 -8.983 280 HA ALA 45 HA ALA 45 -13.232 0.222 -7.447 281 HB1 ALA 45 3HB ALA 45 -11.942 -1.861 -7.227 282 HB2 ALA 45 1HB ALA 45 -12.095 -1.014 -5.688 283 HB3 ALA 45 2HB ALA 45 -10.578 -0.942 -6.588 284 H THR 46 H THR 46 -13.519 1.620 -5.741 285 HA THR 46 HA THR 46 -11.554 3.773 -5.421 286 HB THR 46 HB THR 46 -14.352 3.485 -4.278 287 HG1 THR 46 HG1 THR 46 -13.712 4.086 -6.674 288 HG21 THR 46 3HG2 THR 46 -12.439 5.829 -4.127 289 HG22 THR 46 1HG2 THR 46 -12.941 4.812 -2.776 290 HG23 THR 46 2HG2 THR 46 -14.122 5.839 -3.592 291 H TYR 47 H TYR 47 -10.091 3.702 -3.847 292 HA TYR 47 HA TYR 47 -10.418 1.765 -1.667 293 HB2 TYR 47 2HB TYR 47 -7.965 3.292 -2.586 294 HB3 TYR 47 1HB TYR 47 -7.990 2.067 -1.319 295 HD1 TYR 47 HD1 TYR 47 -8.312 -0.311 -1.890 296 HD2 TYR 47 HD2 TYR 47 -8.075 2.665 -4.930 297 HE1 TYR 47 HE1 TYR 47 -7.962 -2.065 -3.574 298 HE2 TYR 47 HE2 TYR 47 -7.724 0.914 -6.620 299 HH TYR 47 HH TYR 47 -8.266 -2.369 -6.012 300 H ARG 48 H ARG 48 -10.123 2.317 0.507 301 HA ARG 48 HA ARG 48 -11.386 4.562 1.460 302 HB2 ARG 48 2HB ARG 48 -10.410 4.021 3.652 303 HB3 ARG 48 1HB ARG 48 -10.974 2.580 2.817 304 HG2 ARG 48 2HG ARG 48 -8.617 2.169 2.091 305 HG3 ARG 48 1HG ARG 48 -8.126 3.512 3.122 306 HD2 ARG 48 2HD ARG 48 -7.784 1.484 4.341 307 HD3 ARG 48 1HD ARG 48 -9.167 2.314 5.054 308 HE ARG 48 HE ARG 48 -9.991 0.450 3.072 309 HH11 ARG 48 1HH1 ARG 48 -8.896 0.657 6.330 310 HH12 ARG 48 2HH1 ARG 48 -9.646 -0.832 6.788 311 HH21 ARG 48 1HH2 ARG 48 -10.932 -1.459 3.666 312 HH22 ARG 48 2HH2 ARG 48 -10.772 -2.024 5.293 313 H ASP 49 H ASP 49 -7.950 4.215 0.750 314 HA ASP 49 HA ASP 49 -7.656 7.057 0.540 315 HB2 ASP 49 2HB ASP 49 -5.771 7.215 2.175 316 HB3 ASP 49 1HB ASP 49 -7.336 6.919 2.924 317 H GLU 50 H GLU 50 -5.178 7.556 0.142 318 HA GLU 50 HA GLU 50 -4.416 6.114 -2.166 319 HB2 GLU 50 2HB GLU 50 -3.851 8.485 -1.826 320 HB3 GLU 50 1HB GLU 50 -2.768 8.044 -0.512 321 HG2 GLU 50 2HG GLU 50 -1.346 6.818 -2.070 322 HG3 GLU 50 1HG GLU 50 -2.445 7.196 -3.391 323 H CYS 51 H CYS 51 -3.420 5.842 1.198 324 HA CYS 51 HA CYS 51 -1.081 4.290 0.762 325 HB2 CYS 51 2HB CYS 51 -2.868 4.385 3.201 326 HB3 CYS 51 1HB CYS 51 -1.238 3.719 3.147 327 H GLU 52 H GLU 52 -4.477 3.459 1.248 328 HA GLU 52 HA GLU 52 -4.224 0.668 1.419 329 HB2 GLU 52 2HB GLU 52 -6.326 1.873 1.887 330 HB3 GLU 52 1HB GLU 52 -6.471 2.286 0.184 331 HG2 GLU 52 2HG GLU 52 -7.943 0.466 0.634 332 HG3 GLU 52 1HG GLU 52 -6.611 -0.138 -0.347 333 H LEU 53 H LEU 53 -4.747 2.734 -1.449 334 HA LEU 53 HA LEU 53 -4.657 0.717 -3.403 335 HB2 LEU 53 2HB LEU 53 -5.370 3.107 -3.723 336 HB3 LEU 53 1HB LEU 53 -3.683 3.574 -3.683 337 HG LEU 53 HG LEU 53 -4.793 1.672 -5.762 338 HD11 LEU 53 1HD1 LEU 53 -4.487 4.671 -5.940 339 HD12 LEU 53 2HD1 LEU 53 -6.005 3.771 -5.931 340 HD13 LEU 53 3HD1 LEU 53 -4.883 3.597 -7.281 341 HD21 LEU 53 3HD2 LEU 53 -2.271 3.347 -5.674 342 HD22 LEU 53 1HD2 LEU 53 -2.799 2.363 -7.040 343 HD23 LEU 53 2HD2 LEU 53 -2.367 1.593 -5.518 344 H ARG 54 H ARG 54 -2.041 2.881 -2.308 345 HA ARG 54 HA ARG 54 0.026 1.737 -3.794 346 HB2 ARG 54 2HB ARG 54 0.363 3.890 -2.898 347 HB3 ARG 54 1HB ARG 54 -0.038 3.375 -1.267 348 HG2 ARG 54 2HG ARG 54 2.045 2.470 -0.890 349 HG3 ARG 54 1HG ARG 54 2.366 2.215 -2.604 350 HD2 ARG 54 2HD ARG 54 3.548 4.152 -1.212 351 HD3 ARG 54 1HD ARG 54 3.148 4.333 -2.915 352 HE ARG 54 HE ARG 54 1.048 5.472 -2.010 353 HH11 ARG 54 1HH1 ARG 54 4.055 5.504 -0.348 354 HH12 ARG 54 2HH1 ARG 54 3.836 7.107 0.261 355 HH21 ARG 54 1HH2 ARG 54 0.784 7.567 -1.257 356 HH22 ARG 54 2HH2 ARG 54 2.011 8.265 -0.261 357 H ALA 55 H ALA 55 -1.242 0.820 -0.624 358 HA ALA 55 HA ALA 55 0.811 -1.083 -0.034 359 HB1 ALA 55 3HB ALA 55 -1.980 -0.860 1.099 360 HB2 ALA 55 1HB ALA 55 -0.532 -0.079 1.740 361 HB3 ALA 55 2HB ALA 55 -0.670 -1.838 1.763 362 H ALA 56 H ALA 56 -2.538 -1.410 -1.243 363 HA ALA 56 HA ALA 56 -2.586 -4.193 -1.526 364 HB1 ALA 56 3HB ALA 56 -4.457 -3.850 -3.070 365 HB2 ALA 56 1HB ALA 56 -4.050 -2.135 -3.188 366 HB3 ALA 56 2HB ALA 56 -4.598 -2.809 -1.653 367 H ARG 57 H ARG 57 -1.589 -1.692 -3.840 368 HA ARG 57 HA ARG 57 -0.905 -3.341 -6.005 369 HB2 ARG 57 2HB ARG 57 -1.011 -0.808 -5.971 370 HB3 ARG 57 1HB ARG 57 0.539 -0.813 -5.148 371 HG2 ARG 57 2HG ARG 57 0.154 -2.107 -7.838 372 HG3 ARG 57 1HG ARG 57 0.526 -0.395 -7.664 373 HD2 ARG 57 2HD ARG 57 2.626 -0.898 -6.599 374 HD3 ARG 57 1HD ARG 57 2.230 -2.616 -6.531 375 HE ARG 57 HE ARG 57 2.231 -1.554 -9.195 376 HH11 ARG 57 1HH1 ARG 57 4.249 -2.811 -6.698 377 HH12 ARG 57 2HH1 ARG 57 5.433 -3.403 -7.808 378 HH21 ARG 57 1HH2 ARG 57 3.749 -2.331 -10.596 379 HH22 ARG 57 2HH2 ARG 57 5.141 -3.159 -9.987 380 H CYS 58 H CYS 58 1.093 -2.146 -3.331 381 HA CYS 58 HA CYS 58 3.460 -3.525 -3.938 382 HB2 CYS 58 2HB CYS 58 3.348 -1.668 -2.346 383 HB3 CYS 58 1HB CYS 58 2.377 -2.642 -1.252 384 H ARG 59 H ARG 59 0.543 -4.563 -2.320 385 HA ARG 59 HA ARG 59 1.711 -7.088 -1.447 386 HB2 ARG 59 2HB ARG 59 0.146 -5.843 0.018 387 HB3 ARG 59 1HB ARG 59 -1.116 -6.032 -1.186 388 HG2 ARG 59 2HG ARG 59 -1.443 -7.613 0.599 389 HG3 ARG 59 1HG ARG 59 -1.021 -8.477 -0.879 390 HD2 ARG 59 2HD ARG 59 1.200 -8.875 -0.105 391 HD3 ARG 59 1HD ARG 59 0.998 -7.761 1.246 392 HE ARG 59 HE ARG 59 -0.765 -9.441 2.006 393 HH11 ARG 59 1HH1 ARG 59 2.054 -10.332 0.246 394 HH12 ARG 59 2HH1 ARG 59 2.126 -11.907 0.953 395 HH21 ARG 59 1HH2 ARG 59 -0.628 -11.443 2.943 396 HH22 ARG 59 2HH2 ARG 59 0.642 -12.522 2.480 397 H GLY 60 H GLY 60 2.163 -7.637 -3.770 398 HA2 GLY 60 2HA GLY 60 1.806 -9.143 -5.458 399 HA3 GLY 60 1HA GLY 60 0.489 -9.771 -4.491 400 H HIS 61 H HIS 61 0.566 -6.475 -5.825 401 HA HIS 61 HA HIS 61 -1.290 -7.328 -7.948 402 HB2 HIS 61 2HB HIS 61 -1.758 -5.034 -6.034 403 HB3 HIS 61 1HB HIS 61 -2.651 -5.246 -7.536 404 HD1 HIS 61 HD1 HIS 61 -2.329 -6.619 -4.079 405 HD2 HIS 61 HD2 HIS 61 -4.517 -7.344 -7.536 406 HE1 HIS 61 HE1 HIS 61 -4.178 -8.169 -3.392 407 HE2 HIS 61 HE2 HIS 61 -5.603 -8.416 -5.452 408 HA PRO 62 HA PRO 62 1.941 -4.666 -9.843 409 HB2 PRO 62 2HB PRO 62 1.769 -6.423 -12.153 410 HB3 PRO 62 1HB PRO 62 3.123 -6.185 -11.047 411 HG2 PRO 62 2HG PRO 62 1.681 -8.503 -11.189 412 HG3 PRO 62 1HG PRO 62 2.521 -7.960 -9.726 413 HD2 PRO 62 2HD PRO 62 -0.389 -7.743 -10.429 414 HD3 PRO 62 1HD PRO 62 0.369 -8.163 -8.876 415 H ASP 63 H ASP 63 -1.211 -5.635 -10.898 416 HA ASP 63 HA ASP 63 -1.272 -4.035 -13.302 417 HB2 ASP 63 2HB ASP 63 -3.577 -5.319 -11.814 418 HB3 ASP 63 1HB ASP 63 -3.585 -4.753 -13.483 419 H LEU 64 H LEU 64 -1.806 -3.433 -9.976 420 HA LEU 64 HA LEU 64 -3.808 -1.374 -10.340 421 HB2 LEU 64 2HB LEU 64 -3.825 -2.858 -8.378 422 HB3 LEU 64 1HB LEU 64 -2.277 -2.210 -7.873 423 HG LEU 64 HG LEU 64 -3.304 0.011 -7.545 424 HD11 LEU 64 1HD1 LEU 64 -5.886 -1.375 -8.275 425 HD12 LEU 64 2HD1 LEU 64 -5.066 -0.125 -9.216 426 HD13 LEU 64 3HD1 LEU 64 -5.738 0.262 -7.631 427 HD21 LEU 64 3HD2 LEU 64 -3.188 -1.517 -5.654 428 HD22 LEU 64 1HD2 LEU 64 -4.730 -2.236 -6.114 429 HD23 LEU 64 2HD2 LEU 64 -4.664 -0.557 -5.578 430 H SER 65 H SER 65 -3.446 0.740 -10.600 431 HA SER 65 HA SER 65 -1.041 1.990 -9.496 432 HB2 SER 65 2HB SER 65 -1.805 2.157 -12.424 433 HB3 SER 65 1HB SER 65 -0.696 3.286 -11.648 434 HG SER 65 HG SER 65 -0.204 0.829 -12.610 435 H VAL 66 H VAL 66 -1.195 4.394 -9.495 436 HA VAL 66 HA VAL 66 -3.861 5.171 -8.679 437 HB VAL 66 HB VAL 66 -1.341 6.853 -8.797 438 HG11 VAL 66 1HG1 VAL 66 -3.948 7.307 -7.329 439 HG12 VAL 66 2HG1 VAL 66 -3.369 8.210 -8.726 440 HG13 VAL 66 3HG1 VAL 66 -2.505 8.313 -7.192 441 HG21 VAL 66 3HG2 VAL 66 -1.052 4.904 -7.337 442 HG22 VAL 66 1HG2 VAL 66 -2.526 5.332 -6.464 443 HG23 VAL 66 2HG2 VAL 66 -1.120 6.398 -6.399 444 H MET 67 H MET 67 -5.321 5.763 -10.181 445 HA MET 67 HA MET 67 -4.515 7.030 -12.670 446 HB2 MET 67 2HB MET 67 -7.268 6.395 -11.582 447 HB3 MET 67 1HB MET 67 -6.937 6.995 -13.200 448 HG2 MET 67 2HG MET 67 -5.888 4.386 -12.121 449 HG3 MET 67 1HG MET 67 -7.375 4.546 -13.048 450 HE1 MET 67 3HE MET 67 -3.555 5.791 -13.345 451 HE2 MET 67 1HE MET 67 -3.078 4.744 -14.682 452 HE3 MET 67 2HE MET 67 -3.589 4.039 -13.148 453 H TYR 68 H TYR 68 -6.683 7.902 -9.980 454 HA TYR 68 HA TYR 68 -5.762 10.628 -9.960 455 HB2 TYR 68 2HB TYR 68 -8.077 11.579 -10.348 456 HB3 TYR 68 1HB TYR 68 -7.305 10.898 -11.777 457 HD1 TYR 68 HD2 TYR 68 -8.129 8.829 -12.775 458 HD2 TYR 68 HD1 TYR 68 -10.051 10.510 -9.366 459 HE1 TYR 68 HE2 TYR 68 -10.064 7.372 -13.158 460 HE2 TYR 68 HE1 TYR 68 -11.997 9.049 -9.744 461 HH TYR 68 HH TYR 68 -11.918 6.382 -11.736 462 H ARG 69 H ARG 69 -6.507 11.800 -8.100 463 HA ARG 69 HA ARG 69 -7.275 10.098 -5.895 464 HB2 ARG 69 2HB ARG 69 -6.559 13.013 -6.109 465 HB3 ARG 69 1HB ARG 69 -7.229 12.352 -4.624 466 HG2 ARG 69 2HG ARG 69 -5.363 10.697 -4.595 467 HG3 ARG 69 1HG ARG 69 -4.659 11.540 -5.976 468 HD2 ARG 69 2HD ARG 69 -4.347 13.531 -4.700 469 HD3 ARG 69 1HD ARG 69 -5.314 12.904 -3.366 470 HE ARG 69 HE ARG 69 -3.117 11.201 -3.817 471 HH11 ARG 69 1HH1 ARG 69 -3.815 14.348 -2.607 472 HH12 ARG 69 2HH1 ARG 69 -2.482 14.342 -1.511 473 HH21 ARG 69 1HH2 ARG 69 -1.417 11.203 -2.419 474 HH22 ARG 69 2HH2 ARG 69 -1.121 12.592 -1.424 475 H GLY 70 H GLY 70 -9.098 10.428 -4.521 476 HA2 GLY 70 2HA GLY 70 -11.317 11.186 -4.115 477 HA3 GLY 70 1HA GLY 70 -11.406 11.761 -5.773 478 H ARG 71 H ARG 71 -13.553 10.466 -5.271 479 HA ARG 71 HA ARG 71 -13.352 7.606 -5.423 480 HB2 ARG 71 2HB ARG 71 -15.715 9.472 -5.721 481 HB3 ARG 71 1HB ARG 71 -15.841 7.714 -5.684 482 HG2 ARG 71 2HG ARG 71 -14.904 7.676 -3.432 483 HG3 ARG 71 1HG ARG 71 -14.721 9.430 -3.467 484 HD2 ARG 71 2HD ARG 71 -17.128 9.707 -3.613 485 HD3 ARG 71 1HD ARG 71 -17.349 7.957 -3.686 486 HE ARG 71 HE ARG 71 -16.074 8.185 -1.374 487 HH11 ARG 71 1HH1 ARG 71 -18.690 10.051 -2.619 488 HH12 ARG 71 2HH1 ARG 71 -19.332 10.384 -1.050 489 HH21 ARG 71 1HH2 ARG 71 -16.924 8.604 0.620 490 HH22 ARG 71 2HH2 ARG 71 -18.346 9.578 0.760 491 H CYS 72 H CYS 72 -14.483 6.344 -7.185 492 HA CYS 72 HA CYS 72 -13.070 6.872 -9.590 493 HB2 CYS 72 2HB CYS 72 -15.178 4.810 -8.952 494 HB3 CYS 72 1HB CYS 72 -14.290 4.862 -10.473 495 H ARG 73 H ARG 73 -13.676 8.751 -10.522 496 HA ARG 73 HA ARG 73 -16.343 8.822 -11.791 497 HB2 ARG 73 2HB ARG 73 -16.079 11.295 -11.863 498 HB3 ARG 73 1HB ARG 73 -16.128 10.663 -10.222 499 HG2 ARG 73 2HG ARG 73 -13.735 10.893 -10.001 500 HG3 ARG 73 1HG ARG 73 -13.590 11.371 -11.695 501 HD2 ARG 73 2HD ARG 73 -15.101 12.904 -9.572 502 HD3 ARG 73 1HD ARG 73 -13.477 13.291 -10.144 503 HE ARG 73 HE ARG 73 -15.676 13.214 -12.079 504 HH11 ARG 73 1HH1 ARG 73 -13.353 15.036 -10.306 505 HH12 ARG 73 2HH1 ARG 73 -13.555 16.446 -11.287 506 HH21 ARG 73 1HH2 ARG 73 -15.924 15.013 -13.326 507 HH22 ARG 73 2HH2 ARG 73 -15.002 16.437 -12.980 508 H LYS 74 H LYS 74 -16.441 9.357 -13.996 509 HA LYS 74 HA LYS 74 -14.145 10.175 -15.483 510 HB2 LYS 74 2HB LYS 74 -13.971 8.102 -16.896 511 HB3 LYS 74 1HB LYS 74 -13.391 7.932 -15.245 512 HG2 LYS 74 2HG LYS 74 -15.565 6.864 -14.654 513 HG3 LYS 74 1HG LYS 74 -16.009 6.928 -16.359 514 HD2 LYS 74 2HD LYS 74 -15.182 4.745 -16.012 515 HD3 LYS 74 1HD LYS 74 -13.876 5.613 -16.817 516 HE2 LYS 74 2HE LYS 74 -14.074 5.118 -13.840 517 HE3 LYS 74 1HE LYS 74 -13.079 4.193 -14.959 518 HZ1 LYS 74 3HZ LYS 74 -11.691 5.772 -13.905 519 HZ2 LYS 74 1HZ LYS 74 -12.763 7.047 -14.210 520 HZ3 LYS 74 2HZ LYS 74 -11.924 6.325 -15.484 Start of MODEL 16 1 H1 SER 1 1H SER 1 9.211 5.595 18.711 2 H2 SER 1 2H SER 1 10.700 4.850 19.018 3 H3 SER 1 3H SER 1 9.261 4.023 19.337 4 HA SER 1 HA SER 1 8.712 3.979 17.008 5 HB2 SER 1 2HB SER 1 10.433 4.691 15.355 6 HB3 SER 1 1HB SER 1 9.832 6.040 16.318 7 HG SER 1 HG SER 1 11.920 6.348 16.559 8 H ASP 2 H ASP 2 9.427 2.208 15.674 9 HA ASP 2 HA ASP 2 10.730 0.180 17.221 10 HB2 ASP 2 2HB ASP 2 9.685 0.141 14.381 11 HB3 ASP 2 1HB ASP 2 10.235 -1.278 15.272 12 H SER 3 H SER 3 12.847 -0.089 17.367 13 HA SER 3 HA SER 3 14.617 0.637 15.131 14 HB2 SER 3 2HB SER 3 15.319 -0.207 17.964 15 HB3 SER 3 1HB SER 3 16.459 0.363 16.745 16 HG SER 3 HG SER 3 14.902 2.298 16.756 17 H CYS 4 H CYS 4 15.859 -0.901 14.035 18 HA CYS 4 HA CYS 4 15.211 -3.720 14.681 19 HB2 CYS 4 2HB CYS 4 15.549 -2.493 11.935 20 HB3 CYS 4 1HB CYS 4 15.194 -4.186 12.274 21 H ASP 5 H ASP 5 16.851 -5.118 14.884 22 HA ASP 5 HA ASP 5 19.566 -4.154 14.671 23 HB2 ASP 5 2HB ASP 5 18.520 -6.880 15.484 24 HB3 ASP 5 1HB ASP 5 20.160 -6.285 15.723 25 H GLY 6 H GLY 6 20.562 -4.170 12.751 26 HA2 GLY 6 2HA GLY 6 21.339 -4.838 10.698 27 HA3 GLY 6 1HA GLY 6 21.415 -6.424 11.438 28 H VAL 7 H VAL 7 18.375 -4.722 10.825 29 HA VAL 7 HA VAL 7 17.700 -6.813 8.853 30 HB VAL 7 HB VAL 7 15.832 -5.079 10.492 31 HG11 VAL 7 1HG1 VAL 7 15.228 -7.312 8.541 32 HG12 VAL 7 2HG1 VAL 7 14.833 -5.605 8.343 33 HG13 VAL 7 3HG1 VAL 7 14.047 -6.548 9.608 34 HG21 VAL 7 3HG2 VAL 7 16.941 -6.743 11.871 35 HG22 VAL 7 1HG2 VAL 7 16.527 -8.016 10.722 36 HG23 VAL 7 2HG2 VAL 7 15.255 -7.199 11.632 37 H GLU 8 H GLU 8 17.560 -6.252 6.781 38 HA GLU 8 HA GLU 8 17.365 -3.410 6.068 39 HB2 GLU 8 2HB GLU 8 18.065 -4.248 3.775 40 HB3 GLU 8 1HB GLU 8 19.253 -4.409 5.060 41 HG2 GLU 8 2HG GLU 8 18.653 -6.777 5.309 42 HG3 GLU 8 1HG GLU 8 17.493 -6.610 3.990 43 H CYS 9 H CYS 9 15.313 -2.777 5.901 44 HA CYS 9 HA CYS 9 13.631 -3.991 3.842 45 HB2 CYS 9 2HB CYS 9 12.646 -3.526 6.675 46 HB3 CYS 9 1HB CYS 9 11.632 -3.988 5.312 47 H GLY 10 H GLY 10 12.352 -2.456 2.768 48 HA2 GLY 10 2HA GLY 10 12.156 0.232 3.879 49 HA3 GLY 10 1HA GLY 10 13.226 0.074 2.502 50 HA PRO 11 HA PRO 11 10.013 1.082 -0.238 51 HB2 PRO 11 2HB PRO 11 10.391 -0.637 -2.353 52 HB3 PRO 11 1HB PRO 11 11.401 0.777 -2.028 53 HG2 PRO 11 2HG PRO 11 11.894 -2.100 -1.330 54 HG3 PRO 11 1HG PRO 11 13.014 -0.902 -2.011 55 HD2 PRO 11 2HD PRO 11 13.069 -1.517 0.600 56 HD3 PRO 11 1HD PRO 11 13.340 0.149 0.045 57 H GLY 12 H GLY 12 10.212 -2.409 0.355 58 HA2 GLY 12 2HA GLY 12 7.362 -2.681 -0.373 59 HA3 GLY 12 1HA GLY 12 8.526 -3.992 -0.323 60 H LYS 13 H LYS 13 9.645 -3.576 2.222 61 HA LYS 13 HA LYS 13 7.312 -4.120 3.957 62 HB2 LYS 13 2HB LYS 13 9.956 -5.596 3.941 63 HB3 LYS 13 1HB LYS 13 8.651 -5.863 5.088 64 HG2 LYS 13 2HG LYS 13 7.185 -6.572 3.244 65 HG3 LYS 13 1HG LYS 13 8.520 -6.344 2.112 66 HD2 LYS 13 2HD LYS 13 8.506 -8.268 4.450 67 HD3 LYS 13 1HD LYS 13 8.240 -8.707 2.762 68 HE2 LYS 13 2HE LYS 13 10.495 -7.903 2.206 69 HE3 LYS 13 1HE LYS 13 10.760 -7.480 3.896 70 HZ1 LYS 13 3HZ LYS 13 11.746 -9.617 3.324 71 HZ2 LYS 13 1HZ LYS 13 10.230 -10.223 2.881 72 HZ3 LYS 13 2HZ LYS 13 10.536 -9.802 4.487 73 H ALA 14 H ALA 14 7.389 -3.460 6.082 74 HA ALA 14 HA ALA 14 9.773 -1.938 6.956 75 HB1 ALA 14 3HB ALA 14 8.301 -0.609 8.375 76 HB2 ALA 14 1HB ALA 14 6.908 -1.544 7.832 77 HB3 ALA 14 2HB ALA 14 7.783 -0.522 6.691 78 H CYS 15 H CYS 15 10.515 -2.252 9.108 79 HA CYS 15 HA CYS 15 9.697 -4.858 10.226 80 HB2 CYS 15 2HB CYS 15 11.926 -4.907 11.284 81 HB3 CYS 15 1HB CYS 15 12.024 -4.755 9.534 82 H ARG 16 H ARG 16 8.914 -5.066 12.223 83 HA ARG 16 HA ARG 16 8.975 -2.732 14.039 84 HB2 ARG 16 2HB ARG 16 6.786 -4.727 13.503 85 HB3 ARG 16 1HB ARG 16 6.871 -3.910 15.054 86 HG2 ARG 16 2HG ARG 16 5.336 -2.701 13.739 87 HG3 ARG 16 1HG ARG 16 6.807 -1.731 13.801 88 HD2 ARG 16 2HD ARG 16 5.880 -1.725 11.558 89 HD3 ARG 16 1HD ARG 16 7.432 -2.560 11.572 90 HE ARG 16 HE ARG 16 6.223 -4.647 11.436 91 HH11 ARG 16 1HH1 ARG 16 4.358 -1.812 10.808 92 HH12 ARG 16 2HH1 ARG 16 3.162 -2.684 9.906 93 HH21 ARG 16 1HH2 ARG 16 4.692 -5.732 10.296 94 HH22 ARG 16 2HH2 ARG 16 3.345 -4.874 9.626 95 H MET 17 H MET 17 8.851 -3.289 16.378 96 HA MET 17 HA MET 17 10.616 -5.494 17.037 97 HB2 MET 17 2HB MET 17 9.248 -3.388 18.722 98 HB3 MET 17 1HB MET 17 10.263 -4.647 19.405 99 HG2 MET 17 2HG MET 17 11.360 -2.872 17.269 100 HG3 MET 17 1HG MET 17 11.231 -2.276 18.920 101 HE1 MET 17 3HE MET 17 12.256 -5.832 17.360 102 HE2 MET 17 1HE MET 17 14.007 -5.668 17.477 103 HE3 MET 17 2HE MET 17 13.087 -4.582 16.433 104 H LEU 18 H LEU 18 9.620 -7.469 16.838 105 HA LEU 18 HA LEU 18 7.164 -7.919 18.419 106 HB2 LEU 18 2HB LEU 18 8.402 -9.576 16.207 107 HB3 LEU 18 1HB LEU 18 7.037 -10.099 17.171 108 HG LEU 18 HG LEU 18 6.146 -9.324 15.119 109 HD11 LEU 18 1HD1 LEU 18 4.732 -7.449 15.770 110 HD12 LEU 18 2HD1 LEU 18 5.791 -7.111 17.139 111 HD13 LEU 18 3HD1 LEU 18 4.881 -8.621 17.080 112 HD21 LEU 18 3HD2 LEU 18 7.744 -6.787 15.468 113 HD22 LEU 18 1HD2 LEU 18 6.596 -7.115 14.170 114 HD23 LEU 18 2HD2 LEU 18 8.070 -8.073 14.306 115 H GLY 19 H GLY 19 7.761 -8.400 20.462 116 HA2 GLY 19 2HA GLY 19 8.737 -9.474 22.244 117 HA3 GLY 19 1HA GLY 19 9.044 -10.812 21.146 118 H GLY 20 H GLY 20 10.317 -7.542 20.774 119 HA2 GLY 20 2HA GLY 20 12.492 -6.736 21.046 120 HA3 GLY 20 1HA GLY 20 12.974 -8.298 21.681 121 H ARG 21 H ARG 21 11.510 -9.292 19.044 122 HA ARG 21 HA ARG 21 13.987 -9.288 17.472 123 HB2 ARG 21 2HB ARG 21 11.544 -11.072 17.347 124 HB3 ARG 21 1HB ARG 21 12.954 -11.231 16.303 125 HG2 ARG 21 2HG ARG 21 14.364 -11.720 18.201 126 HG3 ARG 21 1HG ARG 21 13.024 -11.433 19.310 127 HD2 ARG 21 2HD ARG 21 11.841 -13.353 18.462 128 HD3 ARG 21 1HD ARG 21 13.046 -13.586 17.192 129 HE ARG 21 HE ARG 21 14.550 -13.763 19.390 130 HH11 ARG 21 1HH1 ARG 21 11.508 -15.230 18.665 131 HH12 ARG 21 2HH1 ARG 21 11.868 -16.649 19.583 132 HH21 ARG 21 1HH2 ARG 21 14.978 -15.557 20.566 133 HH22 ARG 21 2HH2 ARG 21 13.807 -16.829 20.659 134 HA PRO 22 HA PRO 22 11.957 -6.566 14.577 135 HB2 PRO 22 2HB PRO 22 14.241 -6.669 12.843 136 HB3 PRO 22 1HB PRO 22 13.813 -5.412 14.004 137 HG2 PRO 22 2HG PRO 22 16.000 -7.095 14.232 138 HG3 PRO 22 1HG PRO 22 15.255 -6.217 15.578 139 HD2 PRO 22 2HD PRO 22 14.922 -9.081 14.763 140 HD3 PRO 22 1HD PRO 22 15.012 -8.370 16.391 141 H ARG 23 H ARG 23 10.351 -7.407 13.354 142 HA ARG 23 HA ARG 23 11.112 -9.215 11.143 143 HB2 ARG 23 2HB ARG 23 8.561 -9.276 12.771 144 HB3 ARG 23 1HB ARG 23 8.858 -10.252 11.336 145 HG2 ARG 23 2HG ARG 23 10.804 -11.276 12.489 146 HG3 ARG 23 1HG ARG 23 10.378 -10.368 13.939 147 HD2 ARG 23 2HD ARG 23 8.274 -11.535 14.113 148 HD3 ARG 23 1HD ARG 23 8.545 -12.337 12.562 149 HE ARG 23 HE ARG 23 10.649 -12.880 14.392 150 HH11 ARG 23 1HH1 ARG 23 7.400 -13.751 13.648 151 HH12 ARG 23 2HH1 ARG 23 7.568 -15.334 14.318 152 HH21 ARG 23 1HH2 ARG 23 10.854 -14.913 15.211 153 HH22 ARG 23 2HH2 ARG 23 9.494 -15.985 15.199 154 H CYS 24 H CYS 24 10.201 -8.871 9.133 155 HA CYS 24 HA CYS 24 9.073 -6.167 8.788 156 HB2 CYS 24 2HB CYS 24 10.600 -7.913 6.846 157 HB3 CYS 24 1HB CYS 24 9.928 -6.334 6.455 158 H GLU 25 H GLU 25 7.098 -5.859 7.986 159 HA GLU 25 HA GLU 25 5.873 -7.975 6.318 160 HB2 GLU 25 2HB GLU 25 4.520 -6.177 8.341 161 HB3 GLU 25 1HB GLU 25 3.644 -7.130 7.149 162 HG2 GLU 25 2HG GLU 25 4.607 -9.181 8.100 163 HG3 GLU 25 1HG GLU 25 5.443 -8.213 9.314 164 H CYS 26 H CYS 26 4.224 -7.096 4.753 165 HA CYS 26 HA CYS 26 5.533 -5.130 3.184 166 HB2 CYS 26 2HB CYS 26 4.105 -7.014 2.308 167 HB3 CYS 26 1HB CYS 26 2.690 -6.085 2.798 168 H ALA 27 H ALA 27 5.431 -2.979 3.276 169 HA ALA 27 HA ALA 27 3.359 -1.772 4.990 170 HB1 ALA 27 3HB ALA 27 5.682 -1.649 5.821 171 HB2 ALA 27 1HB ALA 27 4.970 -0.059 5.544 172 HB3 ALA 27 2HB ALA 27 6.123 -0.723 4.386 173 HA PRO 28 HA PRO 28 2.128 0.769 1.479 174 HB2 PRO 28 2HB PRO 28 0.544 2.363 3.326 175 HB3 PRO 28 1HB PRO 28 -0.008 1.212 2.110 176 HG2 PRO 28 2HG PRO 28 -0.233 0.792 4.805 177 HG3 PRO 28 1HG PRO 28 -0.123 -0.515 3.611 178 HD2 PRO 28 2HD PRO 28 2.019 0.626 5.377 179 HD3 PRO 28 1HD PRO 28 1.692 -1.069 4.951 180 H ASP 29 H ASP 29 3.217 2.453 0.637 181 HA ASP 29 HA ASP 29 4.915 4.160 2.121 182 HB2 ASP 29 2HB ASP 29 5.430 3.686 -0.169 183 HB3 ASP 29 1HB ASP 29 3.863 4.273 -0.711 184 H CYS 30 H CYS 30 3.636 5.093 3.762 185 HA CYS 30 HA CYS 30 1.439 6.883 2.939 186 HB2 CYS 30 2HB CYS 30 2.064 5.621 5.615 187 HB3 CYS 30 1HB CYS 30 0.754 6.766 5.345 188 H SER 31 H SER 31 4.070 7.833 2.578 189 HA SER 31 HA SER 31 4.965 9.366 4.806 190 HB2 SER 31 2HB SER 31 6.453 8.670 2.927 191 HB3 SER 31 1HB SER 31 5.626 9.825 1.882 192 HG SER 31 HG SER 31 6.551 11.468 2.927 193 H GLY 32 H GLY 32 3.000 10.427 5.472 194 HA2 GLY 32 2HA GLY 32 1.979 12.460 5.856 195 HA3 GLY 32 1HA GLY 32 3.007 13.156 4.621 196 H LEU 33 H LEU 33 0.392 10.695 4.524 197 HA LEU 33 HA LEU 33 -0.952 12.386 2.504 198 HB2 LEU 33 2HB LEU 33 -1.957 10.330 1.601 199 HB3 LEU 33 1HB LEU 33 -0.208 10.308 1.532 200 HG LEU 33 HG LEU 33 -0.343 8.905 3.713 201 HD11 LEU 33 1HD1 LEU 33 -2.704 9.253 4.204 202 HD12 LEU 33 2HD1 LEU 33 -2.368 7.546 3.932 203 HD13 LEU 33 3HD1 LEU 33 -3.149 8.500 2.672 204 HD21 LEU 33 3HD2 LEU 33 -1.279 7.717 1.102 205 HD22 LEU 33 1HD2 LEU 33 -0.515 6.851 2.433 206 HD23 LEU 33 2HD2 LEU 33 0.397 8.059 1.529 207 HA PRO 34 HA PRO 34 -4.501 12.560 5.204 208 HB2 PRO 34 2HB PRO 34 -6.524 12.953 3.457 209 HB3 PRO 34 1HB PRO 34 -5.297 14.189 3.765 210 HG2 PRO 34 2HG PRO 34 -5.514 12.260 1.480 211 HG3 PRO 34 1HG PRO 34 -5.074 13.978 1.457 212 HD2 PRO 34 2HD PRO 34 -3.247 11.934 1.353 213 HD3 PRO 34 1HD PRO 34 -2.883 13.549 1.992 214 H ALA 35 H ALA 35 -5.330 10.860 6.282 215 HA ALA 35 HA ALA 35 -5.823 8.335 4.987 216 HB1 ALA 35 3HB ALA 35 -6.316 9.133 7.857 217 HB2 ALA 35 1HB ALA 35 -4.811 8.463 7.222 218 HB3 ALA 35 2HB ALA 35 -6.280 7.488 7.220 219 H ARG 36 H ARG 36 -7.721 11.066 5.494 220 HA ARG 36 HA ARG 36 -10.255 9.630 5.646 221 HB2 ARG 36 2HB ARG 36 -11.280 11.815 5.796 222 HB3 ARG 36 1HB ARG 36 -9.906 11.749 6.892 223 HG2 ARG 36 2HG ARG 36 -8.548 12.975 5.252 224 HG3 ARG 36 1HG ARG 36 -9.941 13.064 4.174 225 HD2 ARG 36 2HD ARG 36 -11.172 14.297 5.959 226 HD3 ARG 36 1HD ARG 36 -9.694 14.302 6.922 227 HE ARG 36 HE ARG 36 -10.202 15.826 4.477 228 HH11 ARG 36 1HH1 ARG 36 -8.087 15.025 7.072 229 HH12 ARG 36 2HH1 ARG 36 -6.986 16.306 6.713 230 HH21 ARG 36 1HH2 ARG 36 -8.795 17.487 4.046 231 HH22 ARG 36 2HH2 ARG 36 -7.384 17.688 5.027 232 H LEU 37 H LEU 37 -8.146 10.484 3.181 233 HA LEU 37 HA LEU 37 -10.261 11.152 1.255 234 HB2 LEU 37 2HB LEU 37 -8.346 12.662 1.390 235 HB3 LEU 37 1HB LEU 37 -7.255 11.337 1.033 236 HG LEU 37 HG LEU 37 -8.245 11.123 -1.219 237 HD11 LEU 37 1HD1 LEU 37 -10.496 11.929 -0.728 238 HD12 LEU 37 2HD1 LEU 37 -9.777 12.830 -2.061 239 HD13 LEU 37 3HD1 LEU 37 -9.868 13.554 -0.455 240 HD21 LEU 37 3HD2 LEU 37 -7.293 13.910 -0.532 241 HD22 LEU 37 1HD2 LEU 37 -7.337 13.211 -2.151 242 HD23 LEU 37 2HD2 LEU 37 -6.276 12.522 -0.923 243 H GLN 38 H GLN 38 -11.101 9.546 0.106 244 HA GLN 38 HA GLN 38 -9.817 7.007 -0.308 245 HB2 GLN 38 2HB GLN 38 -12.313 8.177 -1.575 246 HB3 GLN 38 1HB GLN 38 -11.814 6.492 -1.677 247 HG2 GLN 38 2HG GLN 38 -12.102 6.228 0.716 248 HG3 GLN 38 1HG GLN 38 -12.498 7.936 0.884 249 HE21 GLN 38 1HE2 GLN 38 -14.505 8.674 0.143 250 HE22 GLN 38 2HE2 GLN 38 -15.813 7.592 -0.154 251 H VAL 39 H VAL 39 -9.422 6.078 -2.503 252 HA VAL 39 HA VAL 39 -8.836 8.045 -4.603 253 HB VAL 39 HB VAL 39 -6.552 7.104 -4.973 254 HG11 VAL 39 1HG1 VAL 39 -5.448 8.318 -3.156 255 HG12 VAL 39 2HG1 VAL 39 -6.963 8.358 -2.254 256 HG13 VAL 39 3HG1 VAL 39 -6.825 9.225 -3.784 257 HG21 VAL 39 3HG2 VAL 39 -6.816 4.961 -3.857 258 HG22 VAL 39 1HG2 VAL 39 -7.023 5.768 -2.303 259 HG23 VAL 39 2HG2 VAL 39 -5.473 5.853 -3.140 260 H CYS 40 H CYS 40 -8.719 7.213 -6.701 261 HA CYS 40 HA CYS 40 -9.621 4.418 -7.018 262 HB2 CYS 40 2HB CYS 40 -9.914 6.858 -8.753 263 HB3 CYS 40 1HB CYS 40 -10.101 5.245 -9.431 264 H GLY 41 H GLY 41 -8.280 2.927 -7.833 265 HA2 GLY 41 2HA GLY 41 -5.707 3.785 -8.972 266 HA3 GLY 41 1HA GLY 41 -6.098 2.172 -8.397 267 H SER 42 H SER 42 -4.827 2.598 -10.844 268 HA SER 42 HA SER 42 -6.463 2.784 -13.098 269 HB2 SER 42 2HB SER 42 -4.021 2.880 -13.249 270 HB3 SER 42 1HB SER 42 -3.910 1.184 -12.779 271 HG SER 42 HG SER 42 -3.799 1.663 -15.104 272 H ASP 43 H ASP 43 -6.225 0.217 -10.845 273 HA ASP 43 HA ASP 43 -6.966 -2.005 -12.370 274 HB2 ASP 43 2HB ASP 43 -6.190 -2.190 -10.065 275 HB3 ASP 43 1HB ASP 43 -7.613 -1.329 -9.488 276 H GLY 44 H GLY 44 -8.951 0.567 -10.952 277 HA2 GLY 44 2HA GLY 44 -11.009 1.091 -12.256 278 HA3 GLY 44 1HA GLY 44 -11.336 -0.634 -12.253 279 H ALA 45 H ALA 45 -10.522 -0.991 -9.467 280 HA ALA 45 HA ALA 45 -13.033 -0.278 -8.235 281 HB1 ALA 45 3HB ALA 45 -12.249 -1.611 -6.340 282 HB2 ALA 45 1HB ALA 45 -10.652 -1.736 -7.081 283 HB3 ALA 45 2HB ALA 45 -12.046 -2.483 -7.861 284 H THR 46 H THR 46 -13.357 1.012 -6.414 285 HA THR 46 HA THR 46 -11.400 3.116 -5.945 286 HB THR 46 HB THR 46 -14.153 2.701 -4.732 287 HG1 THR 46 HG1 THR 46 -13.246 3.852 -7.066 288 HG21 THR 46 3HG2 THR 46 -12.727 4.023 -3.240 289 HG22 THR 46 1HG2 THR 46 -13.963 5.038 -3.983 290 HG23 THR 46 2HG2 THR 46 -12.303 5.093 -4.578 291 H TYR 47 H TYR 47 -10.209 3.396 -4.109 292 HA TYR 47 HA TYR 47 -10.225 1.157 -2.195 293 HB2 TYR 47 2HB TYR 47 -7.992 3.071 -2.923 294 HB3 TYR 47 1HB TYR 47 -7.871 1.783 -1.726 295 HD1 TYR 47 HD1 TYR 47 -8.028 -0.599 -2.458 296 HD2 TYR 47 HD2 TYR 47 -7.795 2.599 -5.262 297 HE1 TYR 47 HE1 TYR 47 -7.416 -2.196 -4.223 298 HE2 TYR 47 HE2 TYR 47 -7.179 1.007 -7.030 299 HH TYR 47 HH TYR 47 -6.196 -1.211 -7.247 300 H ARG 48 H ARG 48 -10.220 1.498 -0.004 301 HA ARG 48 HA ARG 48 -11.735 3.424 1.162 302 HB2 ARG 48 2HB ARG 48 -9.331 2.094 2.431 303 HB3 ARG 48 1HB ARG 48 -10.653 2.858 3.301 304 HG2 ARG 48 2HG ARG 48 -12.200 1.178 2.552 305 HG3 ARG 48 1HG ARG 48 -10.983 0.476 1.481 306 HD2 ARG 48 2HD ARG 48 -9.610 -0.123 3.408 307 HD3 ARG 48 1HD ARG 48 -10.778 0.627 4.492 308 HE ARG 48 HE ARG 48 -12.364 -1.136 3.557 309 HH11 ARG 48 1HH1 ARG 48 -8.957 -1.634 3.786 310 HH12 ARG 48 2HH1 ARG 48 -9.122 -3.317 4.145 311 HH21 ARG 48 1HH2 ARG 48 -12.557 -3.303 4.004 312 HH22 ARG 48 2HH2 ARG 48 -11.133 -4.252 4.267 313 H ASP 49 H ASP 49 -8.254 3.675 0.586 314 HA ASP 49 HA ASP 49 -8.268 6.518 0.723 315 HB2 ASP 49 2HB ASP 49 -6.736 6.711 2.710 316 HB3 ASP 49 1HB ASP 49 -8.370 6.190 3.110 317 H GLU 50 H GLU 50 -5.911 7.375 0.696 318 HA GLU 50 HA GLU 50 -4.561 6.271 -1.489 319 HB2 GLU 50 2HB GLU 50 -4.341 8.615 -0.846 320 HB3 GLU 50 1HB GLU 50 -3.530 8.157 0.643 321 HG2 GLU 50 2HG GLU 50 -1.925 8.985 -0.949 322 HG3 GLU 50 1HG GLU 50 -1.650 7.271 -0.662 323 H CYS 51 H CYS 51 -4.051 5.700 1.986 324 HA CYS 51 HA CYS 51 -1.656 4.162 1.632 325 HB2 CYS 51 2HB CYS 51 -3.608 4.350 3.927 326 HB3 CYS 51 1HB CYS 51 -2.238 3.247 3.955 327 H GLU 52 H GLU 52 -5.093 3.372 1.684 328 HA GLU 52 HA GLU 52 -4.877 0.565 1.714 329 HB2 GLU 52 2HB GLU 52 -6.994 1.866 2.028 330 HB3 GLU 52 1HB GLU 52 -6.995 2.213 0.306 331 HG2 GLU 52 2HG GLU 52 -8.511 0.391 0.815 332 HG3 GLU 52 1HG GLU 52 -7.174 -0.176 -0.185 333 H LEU 53 H LEU 53 -5.065 2.822 -1.058 334 HA LEU 53 HA LEU 53 -4.602 0.875 -3.067 335 HB2 LEU 53 2HB LEU 53 -5.477 3.196 -3.426 336 HB3 LEU 53 1HB LEU 53 -3.870 3.814 -3.115 337 HG LEU 53 HG LEU 53 -4.345 1.853 -5.356 338 HD11 LEU 53 1HD1 LEU 53 -5.952 3.641 -5.710 339 HD12 LEU 53 2HD1 LEU 53 -4.641 3.753 -6.881 340 HD13 LEU 53 3HD1 LEU 53 -4.686 4.851 -5.500 341 HD21 LEU 53 3HD2 LEU 53 -2.304 4.051 -4.961 342 HD22 LEU 53 1HD2 LEU 53 -2.392 2.952 -6.337 343 HD23 LEU 53 2HD2 LEU 53 -2.020 2.325 -4.734 344 H ARG 54 H ARG 54 -2.449 2.940 -1.171 345 HA ARG 54 HA ARG 54 0.011 2.215 -2.290 346 HB2 ARG 54 2HB ARG 54 -0.876 3.784 -0.151 347 HB3 ARG 54 1HB ARG 54 0.127 2.563 0.607 348 HG2 ARG 54 2HG ARG 54 1.578 4.322 0.189 349 HG3 ARG 54 1HG ARG 54 1.898 3.188 -1.121 350 HD2 ARG 54 2HD ARG 54 0.662 4.511 -2.676 351 HD3 ARG 54 1HD ARG 54 0.016 5.530 -1.386 352 HE ARG 54 HE ARG 54 2.897 5.534 -1.622 353 HH11 ARG 54 1HH1 ARG 54 -0.039 7.038 -2.600 354 HH12 ARG 54 2HH1 ARG 54 0.726 8.552 -2.925 355 HH21 ARG 54 1HH2 ARG 54 3.870 7.473 -2.054 356 HH22 ARG 54 2HH2 ARG 54 2.916 8.797 -2.632 357 H ALA 55 H ALA 55 -2.089 0.493 -0.105 358 HA ALA 55 HA ALA 55 -0.156 -1.622 0.409 359 HB1 ALA 55 3HB ALA 55 -1.770 -0.980 2.149 360 HB2 ALA 55 1HB ALA 55 -1.944 -2.675 1.689 361 HB3 ALA 55 2HB ALA 55 -3.096 -1.477 1.098 362 H ALA 56 H ALA 56 -2.964 -1.038 -1.639 363 HA ALA 56 HA ALA 56 -3.429 -3.640 -2.559 364 HB1 ALA 56 3HB ALA 56 -3.879 -1.058 -4.056 365 HB2 ALA 56 1HB ALA 56 -4.989 -1.776 -2.889 366 HB3 ALA 56 2HB ALA 56 -4.637 -2.612 -4.400 367 H ARG 57 H ARG 57 -1.043 -1.261 -3.606 368 HA ARG 57 HA ARG 57 -0.113 -2.422 -5.960 369 HB2 ARG 57 2HB ARG 57 1.998 -1.328 -5.549 370 HB3 ARG 57 1HB ARG 57 0.722 -0.271 -4.951 371 HG2 ARG 57 2HG ARG 57 1.154 -0.945 -2.678 372 HG3 ARG 57 1HG ARG 57 2.312 -2.157 -3.217 373 HD2 ARG 57 2HD ARG 57 3.776 -0.374 -4.062 374 HD3 ARG 57 1HD ARG 57 2.615 0.838 -3.511 375 HE ARG 57 HE ARG 57 3.053 -0.372 -1.235 376 HH11 ARG 57 1HH1 ARG 57 5.375 0.420 -3.658 377 HH12 ARG 57 2HH1 ARG 57 6.672 0.557 -2.522 378 HH21 ARG 57 1HH2 ARG 57 4.738 -0.222 0.214 379 HH22 ARG 57 2HH2 ARG 57 6.321 0.174 -0.363 380 H CYS 58 H CYS 58 0.210 -3.477 -2.682 381 HA CYS 58 HA CYS 58 2.398 -5.318 -3.137 382 HB2 CYS 58 2HB CYS 58 2.008 -4.058 -0.994 383 HB3 CYS 58 1HB CYS 58 0.588 -5.057 -0.725 384 H ARG 59 H ARG 59 -1.023 -5.394 -3.407 385 HA ARG 59 HA ARG 59 -1.075 -8.331 -3.188 386 HB2 ARG 59 2HB ARG 59 -2.628 -6.928 -1.739 387 HB3 ARG 59 1HB ARG 59 -3.481 -6.502 -3.216 388 HG2 ARG 59 2HG ARG 59 -4.663 -8.292 -2.168 389 HG3 ARG 59 1HG ARG 59 -3.877 -8.939 -3.610 390 HD2 ARG 59 2HD ARG 59 -2.014 -9.739 -2.140 391 HD3 ARG 59 1HD ARG 59 -2.962 -9.231 -0.743 392 HE ARG 59 HE ARG 59 -3.726 -11.369 -2.627 393 HH11 ARG 59 1HH1 ARG 59 -3.891 -9.905 0.494 394 HH12 ARG 59 2HH1 ARG 59 -4.788 -11.216 1.174 395 HH21 ARG 59 1HH2 ARG 59 -4.842 -13.057 -1.717 396 HH22 ARG 59 2HH2 ARG 59 -5.305 -12.981 -0.052 397 H GLY 60 H GLY 60 -0.262 -8.753 -5.278 398 HA2 GLY 60 2HA GLY 60 -0.663 -9.561 -7.395 399 HA3 GLY 60 1HA GLY 60 -2.342 -9.109 -7.197 400 H HIS 61 H HIS 61 -1.121 -6.204 -6.711 401 HA HIS 61 HA HIS 61 -0.938 -5.586 -9.604 402 HB2 HIS 61 2HB HIS 61 -2.341 -3.946 -7.478 403 HB3 HIS 61 1HB HIS 61 -2.236 -3.550 -9.190 404 HD1 HIS 61 HD1 HIS 61 -3.872 -5.989 -6.829 405 HD2 HIS 61 HD2 HIS 61 -4.125 -4.774 -10.793 406 HE1 HIS 61 HE1 HIS 61 -5.983 -7.012 -7.709 407 HE2 HIS 61 HE2 HIS 61 -6.236 -6.047 -10.018 408 HA PRO 62 HA PRO 62 2.746 -3.751 -7.350 409 HB2 PRO 62 2HB PRO 62 4.629 -4.451 -9.184 410 HB3 PRO 62 1HB PRO 62 4.089 -5.541 -7.901 411 HG2 PRO 62 2HG PRO 62 3.244 -5.440 -10.778 412 HG3 PRO 62 1HG PRO 62 3.646 -6.852 -9.781 413 HD2 PRO 62 2HD PRO 62 1.085 -6.108 -10.280 414 HD3 PRO 62 1HD PRO 62 1.571 -6.874 -8.752 415 H ASP 63 H ASP 63 1.530 -3.448 -10.611 416 HA ASP 63 HA ASP 63 3.050 -0.993 -11.116 417 HB2 ASP 63 2HB ASP 63 1.082 -2.354 -12.964 418 HB3 ASP 63 1HB ASP 63 2.343 -1.202 -13.395 419 H LEU 64 H LEU 64 0.504 -1.472 -9.319 420 HA LEU 64 HA LEU 64 -1.663 -0.127 -10.505 421 HB2 LEU 64 2HB LEU 64 -1.852 -1.643 -8.573 422 HB3 LEU 64 1HB LEU 64 -1.027 -0.463 -7.573 423 HG LEU 64 HG LEU 64 -2.902 1.118 -7.898 424 HD11 LEU 64 1HD1 LEU 64 -3.654 0.348 -10.093 425 HD12 LEU 64 2HD1 LEU 64 -4.982 0.366 -8.935 426 HD13 LEU 64 3HD1 LEU 64 -4.220 -1.162 -9.377 427 HD21 LEU 64 3HD2 LEU 64 -2.913 -0.325 -5.948 428 HD22 LEU 64 1HD2 LEU 64 -3.708 -1.604 -6.867 429 HD23 LEU 64 2HD2 LEU 64 -4.559 -0.094 -6.539 430 H SER 65 H SER 65 -1.723 1.929 -11.121 431 HA SER 65 HA SER 65 -0.506 3.996 -9.389 432 HB2 SER 65 2HB SER 65 -1.031 4.032 -12.370 433 HB3 SER 65 1HB SER 65 -0.526 5.450 -11.448 434 HG SER 65 HG SER 65 1.409 4.723 -11.853 435 H VAL 66 H VAL 66 -1.647 6.144 -9.445 436 HA VAL 66 HA VAL 66 -4.467 5.657 -8.874 437 HB VAL 66 HB VAL 66 -2.848 8.171 -8.385 438 HG11 VAL 66 1HG1 VAL 66 -5.489 7.274 -7.218 439 HG12 VAL 66 2HG1 VAL 66 -5.271 8.543 -8.424 440 HG13 VAL 66 3HG1 VAL 66 -4.615 8.748 -6.800 441 HG21 VAL 66 3HG2 VAL 66 -1.857 6.313 -7.172 442 HG22 VAL 66 1HG2 VAL 66 -3.432 5.867 -6.517 443 HG23 VAL 66 2HG2 VAL 66 -2.684 7.393 -6.049 444 H MET 67 H MET 67 -6.085 6.235 -10.219 445 HA MET 67 HA MET 67 -5.663 7.800 -12.589 446 HB2 MET 67 2HB MET 67 -8.172 6.775 -11.243 447 HB3 MET 67 1HB MET 67 -8.211 7.720 -12.722 448 HG2 MET 67 2HG MET 67 -6.852 5.989 -13.834 449 HG3 MET 67 1HG MET 67 -6.905 5.029 -12.354 450 HE1 MET 67 3HE MET 67 -7.858 3.035 -13.994 451 HE2 MET 67 1HE MET 67 -7.894 4.142 -15.364 452 HE3 MET 67 2HE MET 67 -9.330 3.206 -14.947 453 H TYR 68 H TYR 68 -7.529 8.370 -9.611 454 HA TYR 68 HA TYR 68 -6.673 11.065 -9.352 455 HB2 TYR 68 2HB TYR 68 -8.927 12.137 -9.624 456 HB3 TYR 68 1HB TYR 68 -8.231 11.557 -11.131 457 HD1 TYR 68 HD1 TYR 68 -10.853 10.940 -8.598 458 HD2 TYR 68 HD2 TYR 68 -9.286 9.805 -12.391 459 HE1 TYR 68 HE1 TYR 68 -12.907 9.671 -9.062 460 HE2 TYR 68 HE2 TYR 68 -11.333 8.531 -12.860 461 HH TYR 68 HH TYR 68 -13.164 7.495 -11.706 462 H ARG 69 H ARG 69 -7.897 12.174 -7.520 463 HA ARG 69 HA ARG 69 -8.264 10.250 -5.375 464 HB2 ARG 69 2HB ARG 69 -8.037 13.248 -5.482 465 HB3 ARG 69 1HB ARG 69 -8.603 12.449 -4.023 466 HG2 ARG 69 2HG ARG 69 -6.240 12.903 -3.852 467 HG3 ARG 69 1HG ARG 69 -6.512 11.163 -3.921 468 HD2 ARG 69 2HD ARG 69 -4.607 11.767 -5.287 469 HD3 ARG 69 1HD ARG 69 -5.916 11.185 -6.312 470 HE ARG 69 HE ARG 69 -6.382 13.694 -6.609 471 HH11 ARG 69 1HH1 ARG 69 -3.245 12.325 -6.176 472 HH12 ARG 69 2HH1 ARG 69 -2.466 13.573 -7.090 473 HH21 ARG 69 1HH2 ARG 69 -5.369 15.277 -7.770 474 HH22 ARG 69 2HH2 ARG 69 -3.655 15.219 -7.988 475 H GLY 70 H GLY 70 -10.082 10.152 -4.016 476 HA2 GLY 70 2HA GLY 70 -12.366 10.640 -3.483 477 HA3 GLY 70 1HA GLY 70 -12.603 11.194 -5.133 478 H ARG 71 H ARG 71 -14.500 9.760 -5.049 479 HA ARG 71 HA ARG 71 -13.873 6.902 -5.282 480 HB2 ARG 71 2HB ARG 71 -16.483 8.386 -4.944 481 HB3 ARG 71 1HB ARG 71 -16.405 6.658 -5.276 482 HG2 ARG 71 2HG ARG 71 -15.204 6.264 -3.218 483 HG3 ARG 71 1HG ARG 71 -15.093 7.998 -2.913 484 HD2 ARG 71 2HD ARG 71 -17.697 6.486 -3.118 485 HD3 ARG 71 1HD ARG 71 -16.861 6.802 -1.597 486 HE ARG 71 HE ARG 71 -17.082 9.266 -2.519 487 HH11 ARG 71 1HH1 ARG 71 -19.431 6.738 -2.466 488 HH12 ARG 71 2HH1 ARG 71 -20.761 7.845 -2.390 489 HH21 ARG 71 1HH2 ARG 71 -18.809 10.657 -2.380 490 HH22 ARG 71 2HH2 ARG 71 -20.416 10.019 -2.341 491 H CYS 72 H CYS 72 -14.508 5.666 -7.081 492 HA CYS 72 HA CYS 72 -13.866 6.883 -9.536 493 HB2 CYS 72 2HB CYS 72 -15.075 4.168 -8.990 494 HB3 CYS 72 1HB CYS 72 -14.446 4.679 -10.551 495 H ARG 73 H ARG 73 -15.139 8.352 -10.466 496 HA ARG 73 HA ARG 73 -17.947 7.617 -11.033 497 HB2 ARG 73 2HB ARG 73 -16.705 10.361 -10.708 498 HB3 ARG 73 1HB ARG 73 -18.344 10.086 -11.281 499 HG2 ARG 73 2HG ARG 73 -17.291 9.253 -8.577 500 HG3 ARG 73 1HG ARG 73 -18.258 10.694 -8.897 501 HD2 ARG 73 2HD ARG 73 -19.124 7.832 -9.349 502 HD3 ARG 73 1HD ARG 73 -19.645 8.879 -8.029 503 HE ARG 73 HE ARG 73 -20.467 10.342 -10.012 504 HH11 ARG 73 1HH1 ARG 73 -20.584 6.895 -9.824 505 HH12 ARG 73 2HH1 ARG 73 -21.966 6.784 -10.860 506 HH21 ARG 73 1HH2 ARG 73 -22.242 10.180 -11.331 507 HH22 ARG 73 2HH2 ARG 73 -22.888 8.620 -11.709 508 H LYS 74 H LYS 74 -18.542 7.454 -13.129 509 HA LYS 74 HA LYS 74 -16.882 8.678 -15.213 510 HB2 LYS 74 2HB LYS 74 -16.899 6.581 -16.557 511 HB3 LYS 74 1HB LYS 74 -15.946 6.473 -15.090 512 HG2 LYS 74 2HG LYS 74 -18.763 5.420 -15.271 513 HG3 LYS 74 1HG LYS 74 -17.353 4.456 -15.705 514 HD2 LYS 74 2HD LYS 74 -16.465 4.720 -13.438 515 HD3 LYS 74 1HD LYS 74 -17.851 5.721 -13.003 516 HE2 LYS 74 2HE LYS 74 -18.101 3.407 -12.207 517 HE3 LYS 74 1HE LYS 74 -19.356 3.841 -13.368 518 HZ1 LYS 74 3HZ LYS 74 -18.211 2.634 -15.072 519 HZ2 LYS 74 1HZ LYS 74 -18.389 1.614 -13.737 520 HZ3 LYS 74 2HZ LYS 74 -16.894 2.329 -14.058 Start of MODEL 17 1 H1 SER 1 1H SER 1 10.907 5.066 17.899 2 H2 SER 1 2H SER 1 10.470 5.587 19.444 3 H3 SER 1 3H SER 1 9.420 4.598 18.563 4 HA SER 1 HA SER 1 12.106 3.817 19.553 5 HB2 SER 1 2HB SER 1 10.875 2.376 21.145 6 HB3 SER 1 1HB SER 1 10.493 4.082 21.386 7 HG SER 1 HG SER 1 8.728 2.330 21.205 8 H ASP 2 H ASP 2 10.370 3.479 16.900 9 HA ASP 2 HA ASP 2 9.940 0.651 16.731 10 HB2 ASP 2 2HB ASP 2 10.108 2.711 14.511 11 HB3 ASP 2 1HB ASP 2 9.472 1.074 14.358 12 H SER 3 H SER 3 11.624 -0.722 16.795 13 HA SER 3 HA SER 3 13.729 -0.490 14.791 14 HB2 SER 3 2HB SER 3 14.701 0.695 16.720 15 HB3 SER 3 1HB SER 3 14.395 -0.710 17.742 16 HG SER 3 HG SER 3 16.521 -0.763 17.037 17 H CYS 4 H CYS 4 15.123 -2.471 14.750 18 HA CYS 4 HA CYS 4 13.830 -4.865 15.837 19 HB2 CYS 4 2HB CYS 4 14.220 -4.287 12.928 20 HB3 CYS 4 1HB CYS 4 14.126 -5.937 13.531 21 H ASP 5 H ASP 5 15.182 -6.536 16.298 22 HA ASP 5 HA ASP 5 17.858 -6.169 16.799 23 HB2 ASP 5 2HB ASP 5 16.624 -7.973 17.808 24 HB3 ASP 5 1HB ASP 5 16.330 -8.719 16.242 25 H GLY 6 H GLY 6 19.441 -5.664 15.402 26 HA2 GLY 6 2HA GLY 6 20.908 -5.772 13.639 27 HA3 GLY 6 1HA GLY 6 20.394 -7.434 13.436 28 H VAL 7 H VAL 7 17.811 -5.216 13.148 29 HA VAL 7 HA VAL 7 17.866 -5.572 10.214 30 HB VAL 7 HB VAL 7 15.442 -4.944 11.903 31 HG11 VAL 7 1HG1 VAL 7 15.202 -4.380 9.553 32 HG12 VAL 7 2HG1 VAL 7 14.187 -5.762 9.965 33 HG13 VAL 7 3HG1 VAL 7 15.701 -6.009 9.093 34 HG21 VAL 7 3HG2 VAL 7 16.500 -7.637 11.052 35 HG22 VAL 7 1HG2 VAL 7 14.862 -7.356 11.652 36 HG23 VAL 7 2HG2 VAL 7 16.245 -7.045 12.698 37 H GLU 8 H GLU 8 18.205 -3.806 9.001 38 HA GLU 8 HA GLU 8 17.750 -1.138 10.173 39 HB2 GLU 8 2HB GLU 8 20.001 -1.633 9.241 40 HB3 GLU 8 1HB GLU 8 19.270 -1.904 7.663 41 HG2 GLU 8 2HG GLU 8 18.482 0.437 7.658 42 HG3 GLU 8 1HG GLU 8 19.293 0.690 9.204 43 H CYS 9 H CYS 9 15.715 -0.421 9.771 44 HA CYS 9 HA CYS 9 14.756 -0.350 7.015 45 HB2 CYS 9 2HB CYS 9 13.059 -1.604 9.189 46 HB3 CYS 9 1HB CYS 9 12.614 -1.390 7.499 47 H GLY 10 H GLY 10 12.753 0.950 6.783 48 HA2 GLY 10 2HA GLY 10 11.499 2.521 8.621 49 HA3 GLY 10 1HA GLY 10 13.003 3.381 8.329 50 HA PRO 11 HA PRO 11 11.065 5.216 4.771 51 HB2 PRO 11 2HB PRO 11 13.196 5.836 3.227 52 HB3 PRO 11 1HB PRO 11 12.872 6.661 4.755 53 HG2 PRO 11 2HG PRO 11 14.801 4.438 4.175 54 HG3 PRO 11 1HG PRO 11 15.043 5.897 5.154 55 HD2 PRO 11 2HD PRO 11 14.473 3.448 6.224 56 HD3 PRO 11 1HD PRO 11 14.017 4.977 6.998 57 H GLY 12 H GLY 12 9.838 3.823 3.556 58 HA2 GLY 12 2HA GLY 12 9.572 2.813 1.391 59 HA3 GLY 12 1HA GLY 12 11.239 2.274 1.462 60 H LYS 13 H LYS 13 11.045 1.210 4.185 61 HA LYS 13 HA LYS 13 8.972 -0.855 4.002 62 HB2 LYS 13 2HB LYS 13 11.893 -1.541 4.424 63 HB3 LYS 13 1HB LYS 13 10.550 -2.670 4.530 64 HG2 LYS 13 2HG LYS 13 10.084 -1.935 2.069 65 HG3 LYS 13 1HG LYS 13 11.763 -1.394 2.112 66 HD2 LYS 13 2HD LYS 13 10.738 -4.195 2.611 67 HD3 LYS 13 1HD LYS 13 11.674 -3.640 1.227 68 HE2 LYS 13 2HE LYS 13 13.577 -3.176 2.695 69 HE3 LYS 13 1HE LYS 13 12.639 -3.719 4.086 70 HZ1 LYS 13 3HZ LYS 13 12.449 -5.908 2.956 71 HZ2 LYS 13 1HZ LYS 13 14.032 -5.494 3.385 72 HZ3 LYS 13 2HZ LYS 13 13.534 -5.353 1.780 73 H ALA 14 H ALA 14 8.142 -1.460 5.924 74 HA ALA 14 HA ALA 14 9.360 -0.321 8.369 75 HB1 ALA 14 3HB ALA 14 6.498 -1.162 7.863 76 HB2 ALA 14 1HB ALA 14 7.105 0.495 7.870 77 HB3 ALA 14 2HB ALA 14 7.122 -0.456 9.355 78 H CYS 15 H CYS 15 9.568 -1.642 10.238 79 HA CYS 15 HA CYS 15 9.699 -4.515 9.598 80 HB2 CYS 15 2HB CYS 15 11.847 -3.513 10.234 81 HB3 CYS 15 1HB CYS 15 11.160 -2.989 11.769 82 H ARG 16 H ARG 16 8.737 -6.053 10.810 83 HA ARG 16 HA ARG 16 7.590 -5.360 13.413 84 HB2 ARG 16 2HB ARG 16 5.790 -5.072 11.728 85 HB3 ARG 16 1HB ARG 16 5.998 -6.749 11.240 86 HG2 ARG 16 2HG ARG 16 5.051 -7.575 13.187 87 HG3 ARG 16 1HG ARG 16 5.387 -6.100 14.099 88 HD2 ARG 16 2HD ARG 16 3.356 -6.369 11.875 89 HD3 ARG 16 1HD ARG 16 2.993 -6.337 13.603 90 HE ARG 16 HE ARG 16 4.460 -4.046 13.006 91 HH11 ARG 16 1HH1 ARG 16 1.354 -5.361 12.288 92 HH12 ARG 16 2HH1 ARG 16 0.645 -3.804 12.035 93 HH21 ARG 16 1HH2 ARG 16 3.533 -2.075 12.685 94 HH22 ARG 16 2HH2 ARG 16 1.860 -1.973 12.253 95 H MET 17 H MET 17 7.792 -6.978 14.905 96 HA MET 17 HA MET 17 9.458 -9.211 14.079 97 HB2 MET 17 2HB MET 17 8.602 -8.367 16.854 98 HB3 MET 17 1HB MET 17 9.829 -9.568 16.468 99 HG2 MET 17 2HG MET 17 11.123 -7.776 15.311 100 HG3 MET 17 1HG MET 17 9.943 -6.610 15.904 101 HE1 MET 17 3HE MET 17 11.335 -9.802 17.787 102 HE2 MET 17 1HE MET 17 12.740 -9.103 18.591 103 HE3 MET 17 2HE MET 17 12.690 -9.205 16.830 104 H LEU 18 H LEU 18 8.698 -11.142 13.610 105 HA LEU 18 HA LEU 18 6.166 -12.066 14.821 106 HB2 LEU 18 2HB LEU 18 7.489 -12.984 12.255 107 HB3 LEU 18 1HB LEU 18 5.961 -13.571 12.888 108 HG LEU 18 HG LEU 18 6.499 -10.754 11.916 109 HD11 LEU 18 1HD1 LEU 18 6.410 -12.386 10.099 110 HD12 LEU 18 2HD1 LEU 18 5.001 -11.330 10.080 111 HD13 LEU 18 3HD1 LEU 18 4.857 -12.976 10.696 112 HD21 LEU 18 3HD2 LEU 18 4.874 -10.775 13.737 113 HD22 LEU 18 1HD2 LEU 18 3.940 -12.019 12.906 114 HD23 LEU 18 2HD2 LEU 18 4.092 -10.410 12.200 115 H GLY 19 H GLY 19 6.422 -13.575 16.373 116 HA2 GLY 19 2HA GLY 19 7.300 -15.299 17.614 117 HA3 GLY 19 1HA GLY 19 7.896 -15.940 16.093 118 H GLY 20 H GLY 20 8.892 -12.829 17.374 119 HA2 GLY 20 2HA GLY 20 10.850 -12.249 18.529 120 HA3 GLY 20 1HA GLY 20 11.397 -13.912 18.412 121 H ARG 21 H ARG 21 10.513 -13.360 15.359 122 HA ARG 21 HA ARG 21 13.174 -12.313 14.604 123 HB2 ARG 21 2HB ARG 21 11.409 -14.258 13.101 124 HB3 ARG 21 1HB ARG 21 12.983 -13.678 12.566 125 HG2 ARG 21 2HG ARG 21 14.016 -14.701 14.553 126 HG3 ARG 21 1HG ARG 21 12.437 -15.320 15.038 127 HD2 ARG 21 2HD ARG 21 12.329 -16.590 12.909 128 HD3 ARG 21 1HD ARG 21 13.959 -16.029 12.525 129 HE ARG 21 HE ARG 21 13.838 -17.287 15.077 130 HH11 ARG 21 1HH1 ARG 21 14.029 -17.933 11.699 131 HH12 ARG 21 2HH1 ARG 21 14.739 -19.489 11.930 132 HH21 ARG 21 1HH2 ARG 21 14.719 -19.277 15.369 133 HH22 ARG 21 2HH2 ARG 21 15.117 -20.254 13.994 134 HA PRO 22 HA PRO 22 10.736 -8.964 12.940 135 HB2 PRO 22 2HB PRO 22 13.258 -7.820 12.010 136 HB3 PRO 22 1HB PRO 22 12.178 -7.253 13.286 137 HG2 PRO 22 2HG PRO 22 14.625 -8.288 13.813 138 HG3 PRO 22 1HG PRO 22 13.252 -8.479 14.921 139 HD2 PRO 22 2HD PRO 22 14.344 -10.428 12.908 140 HD3 PRO 22 1HD PRO 22 13.848 -10.710 14.595 141 H ARG 23 H ARG 23 9.868 -8.389 11.012 142 HA ARG 23 HA ARG 23 11.198 -9.214 8.505 143 HB2 ARG 23 2HB ARG 23 8.273 -9.343 9.271 144 HB3 ARG 23 1HB ARG 23 8.811 -9.428 7.598 145 HG2 ARG 23 2HG ARG 23 9.713 -11.338 9.750 146 HG3 ARG 23 1HG ARG 23 8.351 -11.636 8.667 147 HD2 ARG 23 2HD ARG 23 9.806 -11.541 6.739 148 HD3 ARG 23 1HD ARG 23 11.177 -11.089 7.753 149 HE ARG 23 HE ARG 23 10.667 -13.386 8.836 150 HH11 ARG 23 1HH1 ARG 23 10.310 -12.660 5.499 151 HH12 ARG 23 2HH1 ARG 23 10.771 -14.239 4.982 152 HH21 ARG 23 1HH2 ARG 23 11.256 -15.416 8.183 153 HH22 ARG 23 2HH2 ARG 23 11.315 -15.794 6.498 154 H CYS 24 H CYS 24 11.258 -7.700 6.857 155 HA CYS 24 HA CYS 24 9.893 -5.116 7.362 156 HB2 CYS 24 2HB CYS 24 12.629 -5.594 6.171 157 HB3 CYS 24 1HB CYS 24 11.789 -4.049 6.082 158 H GLU 25 H GLU 25 8.393 -4.691 5.917 159 HA GLU 25 HA GLU 25 8.847 -5.406 3.092 160 HB2 GLU 25 2HB GLU 25 6.263 -5.730 4.640 161 HB3 GLU 25 1HB GLU 25 6.395 -5.875 2.892 162 HG2 GLU 25 2HG GLU 25 7.771 -7.638 4.922 163 HG3 GLU 25 1HG GLU 25 6.345 -8.061 3.976 164 H CYS 26 H CYS 26 7.516 -4.118 1.585 165 HA CYS 26 HA CYS 26 7.960 -1.475 1.592 166 HB2 CYS 26 2HB CYS 26 7.070 -2.446 -0.371 167 HB3 CYS 26 1HB CYS 26 5.598 -2.950 0.452 168 H ALA 27 H ALA 27 7.410 0.267 2.689 169 HA ALA 27 HA ALA 27 5.119 0.187 4.522 170 HB1 ALA 27 3HB ALA 27 7.336 0.670 5.489 171 HB2 ALA 27 1HB ALA 27 6.202 2.003 5.716 172 HB3 ALA 27 2HB ALA 27 7.451 2.107 4.475 173 HA PRO 28 HA PRO 28 2.978 3.104 1.955 174 HB2 PRO 28 2HB PRO 28 1.017 3.863 3.626 175 HB3 PRO 28 1HB PRO 28 1.107 2.214 2.994 176 HG2 PRO 28 2HG PRO 28 1.955 3.267 5.669 177 HG3 PRO 28 1HG PRO 28 1.080 1.773 5.282 178 HD2 PRO 28 2HD PRO 28 3.786 1.887 5.776 179 HD3 PRO 28 1HD PRO 28 3.011 0.631 4.790 180 H ASP 29 H ASP 29 5.349 4.305 2.879 181 HA ASP 29 HA ASP 29 5.128 6.682 4.275 182 HB2 ASP 29 2HB ASP 29 6.764 6.063 1.803 183 HB3 ASP 29 1HB ASP 29 6.946 7.543 2.740 184 H CYS 30 H CYS 30 3.420 8.035 4.047 185 HA CYS 30 HA CYS 30 2.695 8.977 1.342 186 HB2 CYS 30 2HB CYS 30 0.298 8.768 1.969 187 HB3 CYS 30 1HB CYS 30 1.132 7.219 1.902 188 H SER 31 H SER 31 4.108 10.232 3.727 189 HA SER 31 HA SER 31 2.375 12.166 4.879 190 HB2 SER 31 2HB SER 31 4.500 11.664 5.946 191 HB3 SER 31 1HB SER 31 5.387 12.218 4.527 192 HG SER 31 HG SER 31 3.809 13.770 6.313 193 H GLY 32 H GLY 32 1.229 13.543 3.621 194 HA2 GLY 32 2HA GLY 32 1.979 15.830 2.548 195 HA3 GLY 32 1HA GLY 32 2.504 14.753 1.265 196 H LEU 33 H LEU 33 0.340 12.919 1.329 197 HA LEU 33 HA LEU 33 -1.437 14.338 -0.370 198 HB2 LEU 33 2HB LEU 33 -2.699 12.168 -0.452 199 HB3 LEU 33 1HB LEU 33 -1.015 12.094 -0.924 200 HG LEU 33 HG LEU 33 -0.559 11.251 1.469 201 HD11 LEU 33 1HD1 LEU 33 -2.424 10.074 2.542 202 HD12 LEU 33 2HD1 LEU 33 -3.534 10.768 1.360 203 HD13 LEU 33 3HD1 LEU 33 -2.677 11.815 2.490 204 HD21 LEU 33 3HD2 LEU 33 -2.121 9.529 -0.456 205 HD22 LEU 33 1HD2 LEU 33 -1.066 8.948 0.833 206 HD23 LEU 33 2HD2 LEU 33 -0.388 9.854 -0.519 207 HA PRO 34 HA PRO 34 -4.647 15.804 2.297 208 HB2 PRO 34 2HB PRO 34 -6.636 14.839 0.315 209 HB3 PRO 34 1HB PRO 34 -6.336 16.478 0.903 210 HG2 PRO 34 2HG PRO 34 -5.603 15.748 -1.564 211 HG3 PRO 34 1HG PRO 34 -4.599 16.843 -0.594 212 HD2 PRO 34 2HD PRO 34 -4.243 13.907 -1.117 213 HD3 PRO 34 1HD PRO 34 -3.024 15.202 -1.084 214 H ALA 35 H ALA 35 -5.817 15.041 3.977 215 HA ALA 35 HA ALA 35 -5.943 12.246 4.471 216 HB1 ALA 35 3HB ALA 35 -7.290 14.492 5.976 217 HB2 ALA 35 1HB ALA 35 -5.653 13.901 6.259 218 HB3 ALA 35 2HB ALA 35 -7.032 12.848 6.560 219 H ARG 36 H ARG 36 -7.461 10.811 4.002 220 HA ARG 36 HA ARG 36 -9.394 9.809 3.422 221 HB2 ARG 36 2HB ARG 36 -10.768 12.326 4.377 222 HB3 ARG 36 1HB ARG 36 -11.506 10.744 4.156 223 HG2 ARG 36 2HG ARG 36 -9.850 9.895 5.901 224 HG3 ARG 36 1HG ARG 36 -9.512 11.593 6.245 225 HD2 ARG 36 2HD ARG 36 -11.166 10.854 7.806 226 HD3 ARG 36 1HD ARG 36 -11.969 11.913 6.645 227 HE ARG 36 HE ARG 36 -12.062 9.024 6.190 228 HH11 ARG 36 1HH1 ARG 36 -13.709 11.889 7.176 229 HH12 ARG 36 2HH1 ARG 36 -15.275 11.184 6.964 230 HH21 ARG 36 1HH2 ARG 36 -14.046 8.129 5.944 231 HH22 ARG 36 2HH2 ARG 36 -15.466 9.069 6.268 232 H LEU 37 H LEU 37 -7.998 11.654 1.499 233 HA LEU 37 HA LEU 37 -10.133 12.407 -0.330 234 HB2 LEU 37 2HB LEU 37 -7.867 13.602 -0.043 235 HB3 LEU 37 1HB LEU 37 -7.178 12.280 -0.957 236 HG LEU 37 HG LEU 37 -7.621 14.345 -2.298 237 HD11 LEU 37 1HD1 LEU 37 -9.213 11.950 -3.210 238 HD12 LEU 37 2HD1 LEU 37 -7.468 12.143 -3.386 239 HD13 LEU 37 3HD1 LEU 37 -8.565 13.237 -4.229 240 HD21 LEU 37 3HD2 LEU 37 -9.682 15.033 -1.161 241 HD22 LEU 37 1HD2 LEU 37 -10.525 13.650 -1.856 242 HD23 LEU 37 2HD2 LEU 37 -9.902 14.921 -2.907 243 H GLN 38 H GLN 38 -11.209 10.697 -1.193 244 HA GLN 38 HA GLN 38 -10.092 8.118 -1.497 245 HB2 GLN 38 2HB GLN 38 -12.626 9.243 -2.708 246 HB3 GLN 38 1HB GLN 38 -12.189 7.539 -2.678 247 HG2 GLN 38 2HG GLN 38 -12.105 7.780 -0.132 248 HG3 GLN 38 1HG GLN 38 -12.933 9.318 -0.371 249 HE21 GLN 38 1HE2 GLN 38 -13.860 6.915 0.984 250 HE22 GLN 38 2HE2 GLN 38 -15.303 6.422 0.178 251 H VAL 39 H VAL 39 -9.505 6.927 -3.281 252 HA VAL 39 HA VAL 39 -9.299 8.270 -5.893 253 HB VAL 39 HB VAL 39 -6.997 7.382 -6.210 254 HG11 VAL 39 1HG1 VAL 39 -5.830 9.032 -4.807 255 HG12 VAL 39 2HG1 VAL 39 -7.297 9.247 -3.848 256 HG13 VAL 39 3HG1 VAL 39 -7.278 9.710 -5.551 257 HG21 VAL 39 3HG2 VAL 39 -7.172 6.710 -3.265 258 HG22 VAL 39 1HG2 VAL 39 -5.705 6.643 -4.243 259 HG23 VAL 39 2HG2 VAL 39 -7.048 5.559 -4.597 260 H CYS 40 H CYS 40 -9.082 6.785 -7.701 261 HA CYS 40 HA CYS 40 -10.175 4.116 -7.090 262 HB2 CYS 40 2HB CYS 40 -11.451 5.481 -8.707 263 HB3 CYS 40 1HB CYS 40 -10.042 5.544 -9.761 264 H GLY 41 H GLY 41 -8.913 2.374 -7.176 265 HA2 GLY 41 2HA GLY 41 -6.205 2.567 -8.201 266 HA3 GLY 41 1HA GLY 41 -6.912 1.193 -7.373 267 H SER 42 H SER 42 -5.367 0.496 -9.361 268 HA SER 42 HA SER 42 -6.262 0.519 -11.988 269 HB2 SER 42 2HB SER 42 -4.037 -0.259 -11.434 270 HB3 SER 42 1HB SER 42 -4.693 -1.633 -10.546 271 HG SER 42 HG SER 42 -4.862 -2.680 -12.353 272 H ASP 43 H ASP 43 -7.129 -1.783 -9.417 273 HA ASP 43 HA ASP 43 -8.549 -3.614 -11.025 274 HB2 ASP 43 2HB ASP 43 -9.053 -2.965 -8.107 275 HB3 ASP 43 1HB ASP 43 -9.506 -4.447 -8.946 276 H GLY 44 H GLY 44 -9.390 -0.438 -10.033 277 HA2 GLY 44 2HA GLY 44 -11.286 0.755 -10.804 278 HA3 GLY 44 1HA GLY 44 -12.128 -0.768 -11.046 279 H ALA 45 H ALA 45 -10.495 -0.534 -8.067 280 HA ALA 45 HA ALA 45 -13.039 -0.236 -6.641 281 HB1 ALA 45 3HB ALA 45 -11.653 -2.209 -6.154 282 HB2 ALA 45 1HB ALA 45 -11.881 -1.195 -4.729 283 HB3 ALA 45 2HB ALA 45 -10.352 -1.152 -5.608 284 H THR 46 H THR 46 -13.418 1.326 -5.102 285 HA THR 46 HA THR 46 -11.708 3.683 -5.179 286 HB THR 46 HB THR 46 -14.344 3.255 -3.731 287 HG1 THR 46 HG1 THR 46 -15.110 3.529 -5.680 288 HG21 THR 46 3HG2 THR 46 -12.788 5.799 -4.255 289 HG22 THR 46 1HG2 THR 46 -13.002 5.025 -2.683 290 HG23 THR 46 2HG2 THR 46 -14.392 5.705 -3.530 291 H TYR 47 H TYR 47 -10.057 3.875 -3.813 292 HA TYR 47 HA TYR 47 -10.150 2.640 -1.151 293 HB2 TYR 47 2HB TYR 47 -7.893 4.127 -2.538 294 HB3 TYR 47 1HB TYR 47 -7.777 3.280 -0.998 295 HD1 TYR 47 HD1 TYR 47 -7.714 0.840 -0.915 296 HD2 TYR 47 HD2 TYR 47 -7.997 2.891 -4.638 297 HE1 TYR 47 HE1 TYR 47 -7.115 -1.231 -2.097 298 HE2 TYR 47 HE2 TYR 47 -7.404 0.825 -5.823 299 HH TYR 47 HH TYR 47 -7.391 -2.217 -4.340 300 H ARG 48 H ARG 48 -10.202 3.855 0.770 301 HA ARG 48 HA ARG 48 -11.468 6.387 0.547 302 HB2 ARG 48 2HB ARG 48 -11.518 6.476 2.957 303 HB3 ARG 48 1HB ARG 48 -11.940 4.862 2.414 304 HG2 ARG 48 2HG ARG 48 -9.136 5.498 3.258 305 HG3 ARG 48 1HG ARG 48 -10.383 5.157 4.454 306 HD2 ARG 48 2HD ARG 48 -10.822 3.002 3.209 307 HD3 ARG 48 1HD ARG 48 -9.370 3.343 2.268 308 HE ARG 48 HE ARG 48 -8.287 3.447 4.610 309 HH11 ARG 48 1HH1 ARG 48 -10.783 1.285 3.635 310 HH12 ARG 48 2HH1 ARG 48 -10.341 0.080 4.792 311 HH21 ARG 48 1HH2 ARG 48 -7.745 1.917 6.100 312 HH22 ARG 48 2HH2 ARG 48 -8.641 0.438 6.189 313 H ASP 49 H ASP 49 -8.211 5.650 0.351 314 HA ASP 49 HA ASP 49 -7.537 8.323 -0.171 315 HB2 ASP 49 2HB ASP 49 -5.900 8.755 1.624 316 HB3 ASP 49 1HB ASP 49 -7.539 8.619 2.250 317 H GLU 50 H GLU 50 -5.308 8.577 -0.917 318 HA GLU 50 HA GLU 50 -4.447 6.370 -2.435 319 HB2 GLU 50 2HB GLU 50 -4.029 8.700 -3.088 320 HB3 GLU 50 1HB GLU 50 -2.910 8.887 -1.744 321 HG2 GLU 50 2HG GLU 50 -1.446 7.188 -2.730 322 HG3 GLU 50 1HG GLU 50 -2.568 6.999 -4.075 323 H CYS 51 H CYS 51 -3.440 7.471 0.750 324 HA CYS 51 HA CYS 51 -1.028 6.015 0.971 325 HB2 CYS 51 2HB CYS 51 -1.833 7.788 2.566 326 HB3 CYS 51 1HB CYS 51 -2.960 6.609 3.226 327 H GLU 52 H GLU 52 -4.377 5.139 1.704 328 HA GLU 52 HA GLU 52 -3.984 2.488 2.532 329 HB2 GLU 52 2HB GLU 52 -6.135 3.569 2.782 330 HB3 GLU 52 1HB GLU 52 -6.278 3.796 1.045 331 HG2 GLU 52 2HG GLU 52 -7.723 2.010 1.755 332 HG3 GLU 52 1HG GLU 52 -6.430 1.357 0.754 333 H LEU 53 H LEU 53 -4.446 3.850 -0.723 334 HA LEU 53 HA LEU 53 -4.456 1.476 -2.195 335 HB2 LEU 53 2HB LEU 53 -5.021 3.756 -3.051 336 HB3 LEU 53 1HB LEU 53 -3.314 4.146 -3.064 337 HG LEU 53 HG LEU 53 -4.357 1.822 -4.679 338 HD11 LEU 53 1HD1 LEU 53 -4.264 4.708 -5.573 339 HD12 LEU 53 2HD1 LEU 53 -5.727 3.768 -5.281 340 HD13 LEU 53 3HD1 LEU 53 -4.637 3.314 -6.591 341 HD21 LEU 53 3HD2 LEU 53 -2.416 2.343 -6.096 342 HD22 LEU 53 1HD2 LEU 53 -1.926 2.033 -4.431 343 HD23 LEU 53 2HD2 LEU 53 -2.000 3.689 -5.033 344 H ARG 54 H ARG 54 -1.710 3.428 -1.078 345 HA ARG 54 HA ARG 54 0.364 2.012 -2.321 346 HB2 ARG 54 2HB ARG 54 0.381 3.378 0.385 347 HB3 ARG 54 1HB ARG 54 1.814 2.872 -0.500 348 HG2 ARG 54 2HG ARG 54 1.187 4.414 -2.331 349 HG3 ARG 54 1HG ARG 54 -0.177 4.969 -1.358 350 HD2 ARG 54 2HD ARG 54 1.726 6.493 -1.164 351 HD3 ARG 54 1HD ARG 54 1.361 5.731 0.382 352 HE ARG 54 HE ARG 54 3.366 4.569 0.267 353 HH11 ARG 54 1HH1 ARG 54 2.827 6.332 -2.634 354 HH12 ARG 54 2HH1 ARG 54 4.453 6.143 -3.186 355 HH21 ARG 54 1HH2 ARG 54 5.463 4.331 -0.445 356 HH22 ARG 54 2HH2 ARG 54 5.935 5.035 -1.951 357 H ALA 55 H ALA 55 -1.073 1.508 0.907 358 HA ALA 55 HA ALA 55 0.437 -0.748 1.639 359 HB1 ALA 55 3HB ALA 55 -0.925 0.559 3.216 360 HB2 ALA 55 1HB ALA 55 -1.298 -1.163 3.299 361 HB3 ALA 55 2HB ALA 55 -2.389 -0.065 2.456 362 H ALA 56 H ALA 56 -2.696 -0.511 -0.018 363 HA ALA 56 HA ALA 56 -3.224 -3.254 -0.288 364 HB1 ALA 56 3HB ALA 56 -4.782 -2.615 -2.053 365 HB2 ALA 56 1HB ALA 56 -4.046 -1.014 -2.142 366 HB3 ALA 56 2HB ALA 56 -4.906 -1.510 -0.683 367 H ARG 57 H ARG 57 -1.435 -1.027 -2.406 368 HA ARG 57 HA ARG 57 -0.925 -2.811 -4.524 369 HB2 ARG 57 2HB ARG 57 -0.525 -0.455 -4.832 370 HB3 ARG 57 1HB ARG 57 0.644 -0.424 -3.517 371 HG2 ARG 57 2HG ARG 57 2.169 -1.820 -4.819 372 HG3 ARG 57 1HG ARG 57 0.990 -1.905 -6.125 373 HD2 ARG 57 2HD ARG 57 1.165 0.505 -6.462 374 HD3 ARG 57 1HD ARG 57 2.303 0.620 -5.118 375 HE ARG 57 HE ARG 57 3.841 -0.747 -6.459 376 HH11 ARG 57 1HH1 ARG 57 1.268 0.844 -8.108 377 HH12 ARG 57 2HH1 ARG 57 2.097 0.827 -9.623 378 HH21 ARG 57 1HH2 ARG 57 4.879 -0.771 -8.389 379 HH22 ARG 57 2HH2 ARG 57 4.129 -0.072 -9.785 380 H CYS 58 H CYS 58 1.087 -1.996 -1.696 381 HA CYS 58 HA CYS 58 3.117 -3.905 -2.391 382 HB2 CYS 58 2HB CYS 58 2.676 -2.310 0.140 383 HB3 CYS 58 1HB CYS 58 4.093 -3.308 -0.174 384 H ARG 59 H ARG 59 0.101 -4.344 -1.087 385 HA ARG 59 HA ARG 59 0.701 -6.527 0.692 386 HB2 ARG 59 2HB ARG 59 -1.414 -4.959 0.573 387 HB3 ARG 59 1HB ARG 59 -1.980 -6.123 -0.610 388 HG2 ARG 59 2HG ARG 59 -1.192 -6.805 2.220 389 HG3 ARG 59 1HG ARG 59 -2.843 -6.515 1.677 390 HD2 ARG 59 2HD ARG 59 -2.526 -8.414 0.048 391 HD3 ARG 59 1HD ARG 59 -0.997 -8.759 0.859 392 HE ARG 59 HE ARG 59 -3.213 -8.625 2.666 393 HH11 ARG 59 1HH1 ARG 59 -1.457 -10.700 0.551 394 HH12 ARG 59 2HH1 ARG 59 -2.059 -12.136 1.294 395 HH21 ARG 59 1HH2 ARG 59 -3.965 -10.450 3.608 396 HH22 ARG 59 2HH2 ARG 59 -3.484 -11.997 3.009 397 H GLY 60 H GLY 60 -0.975 -6.409 -2.489 398 HA2 GLY 60 2HA GLY 60 0.552 -8.684 -3.446 399 HA3 GLY 60 1HA GLY 60 -1.138 -9.037 -3.135 400 H HIS 61 H HIS 61 -0.150 -5.894 -4.328 401 HA HIS 61 HA HIS 61 -0.988 -6.615 -7.061 402 HB2 HIS 61 2HB HIS 61 -2.156 -4.478 -5.305 403 HB3 HIS 61 1HB HIS 61 -2.108 -4.232 -7.045 404 HD1 HIS 61 HD1 HIS 61 -3.673 -6.471 -4.438 405 HD2 HIS 61 HD2 HIS 61 -4.016 -5.589 -8.477 406 HE1 HIS 61 HE1 HIS 61 -5.804 -7.565 -5.185 407 HE2 HIS 61 HE2 HIS 61 -6.095 -6.810 -7.566 408 HA PRO 62 HA PRO 62 3.056 -4.247 -7.014 409 HB2 PRO 62 2HB PRO 62 3.565 -6.057 -9.314 410 HB3 PRO 62 1HB PRO 62 4.588 -5.693 -7.920 411 HG2 PRO 62 2HG PRO 62 3.351 -8.050 -8.137 412 HG3 PRO 62 1HG PRO 62 3.519 -7.245 -6.564 413 HD2 PRO 62 2HD PRO 62 1.126 -7.391 -8.371 414 HD3 PRO 62 1HD PRO 62 1.211 -7.544 -6.603 415 H ASP 63 H ASP 63 0.532 -4.746 -9.292 416 HA ASP 63 HA ASP 63 1.602 -2.658 -11.084 417 HB2 ASP 63 2HB ASP 63 -0.665 -4.592 -11.619 418 HB3 ASP 63 1HB ASP 63 0.099 -3.507 -12.780 419 H LEU 64 H LEU 64 -0.192 -2.663 -8.430 420 HA LEU 64 HA LEU 64 -2.611 -1.392 -9.289 421 HB2 LEU 64 2HB LEU 64 -2.498 -2.646 -7.194 422 HB3 LEU 64 1HB LEU 64 -1.331 -1.505 -6.556 423 HG LEU 64 HG LEU 64 -3.049 0.280 -6.638 424 HD11 LEU 64 1HD1 LEU 64 -5.387 -0.292 -7.024 425 HD12 LEU 64 2HD1 LEU 64 -4.925 -1.944 -7.441 426 HD13 LEU 64 3HD1 LEU 64 -4.414 -0.599 -8.462 427 HD21 LEU 64 3HD2 LEU 64 -2.709 -0.982 -4.578 428 HD22 LEU 64 1HD2 LEU 64 -3.883 -2.187 -5.107 429 HD23 LEU 64 2HD2 LEU 64 -4.402 -0.535 -4.771 430 H SER 65 H SER 65 -2.570 0.533 -10.227 431 HA SER 65 HA SER 65 -1.182 2.738 -8.843 432 HB2 SER 65 2HB SER 65 -1.414 2.314 -11.839 433 HB3 SER 65 1HB SER 65 -0.887 3.826 -11.097 434 HG SER 65 HG SER 65 1.003 2.981 -10.732 435 H VAL 66 H VAL 66 -2.238 4.804 -8.975 436 HA VAL 66 HA VAL 66 -5.090 4.577 -8.842 437 HB VAL 66 HB VAL 66 -4.010 6.066 -7.295 438 HG11 VAL 66 1HG1 VAL 66 -2.827 8.094 -7.975 439 HG12 VAL 66 2HG1 VAL 66 -3.049 7.669 -9.671 440 HG13 VAL 66 3HG1 VAL 66 -2.046 6.656 -8.634 441 HG21 VAL 66 3HG2 VAL 66 -5.591 7.683 -9.306 442 HG22 VAL 66 1HG2 VAL 66 -5.317 8.109 -7.616 443 HG23 VAL 66 2HG2 VAL 66 -6.271 6.682 -8.023 444 H MET 67 H MET 67 -6.380 4.536 -10.556 445 HA MET 67 HA MET 67 -5.653 5.378 -13.162 446 HB2 MET 67 2HB MET 67 -8.373 4.792 -11.971 447 HB3 MET 67 1HB MET 67 -8.075 5.035 -13.685 448 HG2 MET 67 2HG MET 67 -6.821 2.844 -12.037 449 HG3 MET 67 1HG MET 67 -8.276 2.659 -13.014 450 HE1 MET 67 3HE MET 67 -4.501 2.352 -12.905 451 HE2 MET 67 1HE MET 67 -4.524 4.047 -13.388 452 HE3 MET 67 2HE MET 67 -3.941 2.820 -14.512 453 H TYR 68 H TYR 68 -7.621 6.890 -10.633 454 HA TYR 68 HA TYR 68 -6.943 9.511 -11.491 455 HB2 TYR 68 2HB TYR 68 -9.236 10.299 -12.051 456 HB3 TYR 68 1HB TYR 68 -8.588 9.162 -13.222 457 HD1 TYR 68 HD1 TYR 68 -11.115 9.672 -10.599 458 HD2 TYR 68 HD2 TYR 68 -9.572 6.957 -13.496 459 HE1 TYR 68 HE1 TYR 68 -13.146 8.301 -10.390 460 HE2 TYR 68 HE2 TYR 68 -11.596 5.581 -13.291 461 HH TYR 68 HH TYR 68 -13.377 5.154 -11.682 462 H ARG 69 H ARG 69 -7.573 11.132 -10.045 463 HA ARG 69 HA ARG 69 -8.045 10.257 -7.358 464 HB2 ARG 69 2HB ARG 69 -7.751 12.989 -8.613 465 HB3 ARG 69 1HB ARG 69 -7.980 12.752 -6.885 466 HG2 ARG 69 2HG ARG 69 -5.901 11.634 -6.662 467 HG3 ARG 69 1HG ARG 69 -5.721 11.463 -8.408 468 HD2 ARG 69 2HD ARG 69 -4.279 13.232 -7.420 469 HD3 ARG 69 1HD ARG 69 -5.371 13.822 -8.670 470 HE ARG 69 HE ARG 69 -6.740 14.284 -6.375 471 HH11 ARG 69 1HH1 ARG 69 -3.531 15.060 -7.370 472 HH12 ARG 69 2HH1 ARG 69 -3.517 16.561 -6.515 473 HH21 ARG 69 1HH2 ARG 69 -6.696 16.197 -5.273 474 HH22 ARG 69 2HH2 ARG 69 -5.287 17.201 -5.353 475 H GLY 70 H GLY 70 -9.825 10.541 -6.049 476 HA2 GLY 70 2HA GLY 70 -11.999 11.518 -5.586 477 HA3 GLY 70 1HA GLY 70 -12.298 11.561 -7.318 478 H ARG 71 H ARG 71 -14.223 10.463 -5.775 479 HA ARG 71 HA ARG 71 -14.036 7.699 -5.268 480 HB2 ARG 71 2HB ARG 71 -16.538 9.209 -6.076 481 HB3 ARG 71 1HB ARG 71 -16.459 7.696 -5.178 482 HG2 ARG 71 2HG ARG 71 -15.239 8.946 -3.368 483 HG3 ARG 71 1HG ARG 71 -15.607 10.431 -4.243 484 HD2 ARG 71 2HD ARG 71 -18.019 9.889 -4.068 485 HD3 ARG 71 1HD ARG 71 -17.603 8.467 -3.113 486 HE ARG 71 HE ARG 71 -17.263 11.266 -2.279 487 HH11 ARG 71 1HH1 ARG 71 -17.295 7.912 -1.486 488 HH12 ARG 71 2HH1 ARG 71 -17.375 8.212 0.217 489 HH21 ARG 71 1HH2 ARG 71 -17.335 11.620 -0.087 490 HH22 ARG 71 2HH2 ARG 71 -17.384 10.268 0.992 491 H CYS 72 H CYS 72 -14.268 5.894 -6.569 492 HA CYS 72 HA CYS 72 -13.660 6.324 -9.318 493 HB2 CYS 72 2HB CYS 72 -12.869 4.373 -7.875 494 HB3 CYS 72 1HB CYS 72 -14.449 3.648 -8.171 495 H ARG 73 H ARG 73 -15.244 7.273 -10.452 496 HA ARG 73 HA ARG 73 -17.846 5.901 -10.707 497 HB2 ARG 73 2HB ARG 73 -17.026 8.732 -11.431 498 HB3 ARG 73 1HB ARG 73 -18.622 8.051 -11.719 499 HG2 ARG 73 2HG ARG 73 -17.376 8.297 -8.981 500 HG3 ARG 73 1HG ARG 73 -18.446 9.508 -9.693 501 HD2 ARG 73 2HD ARG 73 -19.165 6.614 -9.195 502 HD3 ARG 73 1HD ARG 73 -19.635 7.972 -8.172 503 HE ARG 73 HE ARG 73 -20.595 8.709 -10.570 504 HH11 ARG 73 1HH1 ARG 73 -20.887 5.773 -8.797 505 HH12 ARG 73 2HH1 ARG 73 -22.439 5.403 -9.458 506 HH21 ARG 73 1HH2 ARG 73 -22.583 8.227 -11.406 507 HH22 ARG 73 2HH2 ARG 73 -23.392 6.780 -10.911 508 H LYS 74 H LYS 74 -17.730 4.445 -12.337 509 HA LYS 74 HA LYS 74 -16.183 5.112 -14.754 510 HB2 LYS 74 2HB LYS 74 -15.938 2.921 -13.281 511 HB3 LYS 74 1HB LYS 74 -17.303 2.374 -14.240 512 HG2 LYS 74 2HG LYS 74 -14.678 3.332 -15.380 513 HG3 LYS 74 1HG LYS 74 -15.101 1.642 -15.106 514 HD2 LYS 74 2HD LYS 74 -17.007 1.898 -16.662 515 HD3 LYS 74 1HD LYS 74 -16.514 3.566 -16.964 516 HE2 LYS 74 2HE LYS 74 -15.721 2.098 -18.740 517 HE3 LYS 74 1HE LYS 74 -14.367 2.775 -17.840 518 HZ1 LYS 74 3HZ LYS 74 -15.494 0.054 -17.452 519 HZ2 LYS 74 1HZ LYS 74 -14.163 0.700 -16.633 520 HZ3 LYS 74 2HZ LYS 74 -14.080 0.407 -18.301 Start of MODEL 18 1 H1 SER 1 1H SER 1 8.271 5.648 17.701 2 H2 SER 1 2H SER 1 7.530 6.074 16.243 3 H3 SER 1 3H SER 1 8.994 6.796 16.683 4 HA SER 1 HA SER 1 8.568 3.936 16.010 5 HB2 SER 1 2HB SER 1 8.561 5.408 14.043 6 HB3 SER 1 1HB SER 1 10.083 6.131 14.559 7 HG SER 1 HG SER 1 10.549 4.568 13.046 8 H ASP 2 H ASP 2 10.211 2.534 16.490 9 HA ASP 2 HA ASP 2 12.520 3.628 17.981 10 HB2 ASP 2 2HB ASP 2 11.303 0.854 18.119 11 HB3 ASP 2 1HB ASP 2 12.671 1.425 19.072 12 H SER 3 H SER 3 14.462 1.983 17.888 13 HA SER 3 HA SER 3 15.163 1.735 15.079 14 HB2 SER 3 2HB SER 3 16.797 1.222 17.580 15 HB3 SER 3 1HB SER 3 17.428 1.170 15.934 16 HG SER 3 HG SER 3 17.680 3.207 17.160 17 H CYS 4 H CYS 4 16.061 -0.190 14.138 18 HA CYS 4 HA CYS 4 14.727 -2.633 15.090 19 HB2 CYS 4 2HB CYS 4 16.045 -2.062 12.425 20 HB3 CYS 4 1HB CYS 4 15.105 -3.494 12.830 21 H ASP 5 H ASP 5 15.838 -4.324 15.901 22 HA ASP 5 HA ASP 5 18.676 -4.160 16.278 23 HB2 ASP 5 2HB ASP 5 17.324 -5.106 18.029 24 HB3 ASP 5 1HB ASP 5 16.630 -6.294 16.932 25 H GLY 6 H GLY 6 20.063 -4.596 14.658 26 HA2 GLY 6 2HA GLY 6 21.171 -5.747 13.007 27 HA3 GLY 6 1HA GLY 6 20.237 -7.158 13.463 28 H VAL 7 H VAL 7 17.956 -4.908 12.694 29 HA VAL 7 HA VAL 7 17.616 -6.087 10.028 30 HB VAL 7 HB VAL 7 15.585 -4.430 11.538 31 HG11 VAL 7 1HG1 VAL 7 15.140 -4.679 9.164 32 HG12 VAL 7 2HG1 VAL 7 13.969 -5.598 10.110 33 HG13 VAL 7 3HG1 VAL 7 15.295 -6.432 9.298 34 HG21 VAL 7 3HG2 VAL 7 14.577 -6.555 12.279 35 HG22 VAL 7 1HG2 VAL 7 16.179 -6.287 12.967 36 HG23 VAL 7 2HG2 VAL 7 15.972 -7.424 11.632 37 H GLU 8 H GLU 8 17.988 -4.936 8.224 38 HA GLU 8 HA GLU 8 18.239 -2.006 8.410 39 HB2 GLU 8 2HB GLU 8 19.077 -3.912 6.208 40 HB3 GLU 8 1HB GLU 8 19.357 -2.176 6.206 41 HG2 GLU 8 2HG GLU 8 20.808 -2.382 8.145 42 HG3 GLU 8 1HG GLU 8 20.478 -4.112 8.229 43 H CYS 9 H CYS 9 16.300 -1.017 8.071 44 HA CYS 9 HA CYS 9 14.858 -1.581 5.595 45 HB2 CYS 9 2HB CYS 9 13.559 -1.865 8.312 46 HB3 CYS 9 1HB CYS 9 12.673 -1.799 6.789 47 H GLY 10 H GLY 10 13.207 0.007 5.065 48 HA2 GLY 10 2HA GLY 10 12.826 2.368 6.618 49 HA3 GLY 10 1HA GLY 10 14.006 2.647 5.348 50 HA PRO 11 HA PRO 11 10.501 3.845 2.867 51 HB2 PRO 11 2HB PRO 11 12.253 3.221 0.550 52 HB3 PRO 11 1HB PRO 11 11.437 4.730 0.972 53 HG2 PRO 11 2HG PRO 11 14.080 4.464 1.273 54 HG3 PRO 11 1HG PRO 11 13.110 5.378 2.446 55 HD2 PRO 11 2HD PRO 11 14.219 2.600 2.655 56 HD3 PRO 11 1HD PRO 11 14.135 3.874 3.889 57 H GLY 12 H GLY 12 8.978 2.214 3.075 58 HA2 GLY 12 2HA GLY 12 7.608 0.731 1.794 59 HA3 GLY 12 1HA GLY 12 9.042 0.149 0.971 60 H LYS 13 H LYS 13 9.950 0.232 4.123 61 HA LYS 13 HA LYS 13 8.718 -2.319 4.876 62 HB2 LYS 13 2HB LYS 13 11.650 -1.909 4.365 63 HB3 LYS 13 1HB LYS 13 11.115 -3.108 5.535 64 HG2 LYS 13 2HG LYS 13 9.863 -4.275 3.819 65 HG3 LYS 13 1HG LYS 13 10.284 -3.038 2.636 66 HD2 LYS 13 2HD LYS 13 12.309 -4.754 4.086 67 HD3 LYS 13 1HD LYS 13 11.660 -5.129 2.490 68 HE2 LYS 13 2HE LYS 13 12.554 -3.022 1.624 69 HE3 LYS 13 1HE LYS 13 13.187 -2.625 3.221 70 HZ1 LYS 13 3HZ LYS 13 14.870 -3.552 1.718 71 HZ2 LYS 13 1HZ LYS 13 13.998 -4.997 1.629 72 HZ3 LYS 13 2HZ LYS 13 14.661 -4.497 3.099 73 H ALA 14 H ALA 14 8.398 -2.571 6.983 74 HA ALA 14 HA ALA 14 9.776 -0.801 8.899 75 HB1 ALA 14 3HB ALA 14 6.826 -1.454 8.911 76 HB2 ALA 14 1HB ALA 14 7.538 0.102 8.484 77 HB3 ALA 14 2HB ALA 14 7.680 -0.511 10.133 78 H CYS 15 H CYS 15 9.849 -1.654 11.106 79 HA CYS 15 HA CYS 15 10.140 -4.575 11.014 80 HB2 CYS 15 2HB CYS 15 11.162 -2.638 13.107 81 HB3 CYS 15 1HB CYS 15 11.566 -4.347 12.981 82 H ARG 16 H ARG 16 8.791 -5.899 12.034 83 HA ARG 16 HA ARG 16 7.087 -4.854 14.215 84 HB2 ARG 16 2HB ARG 16 5.874 -5.276 12.046 85 HB3 ARG 16 1HB ARG 16 6.312 -6.971 12.187 86 HG2 ARG 16 2HG ARG 16 4.072 -6.745 12.947 87 HG3 ARG 16 1HG ARG 16 5.078 -7.026 14.369 88 HD2 ARG 16 2HD ARG 16 5.074 -4.600 14.825 89 HD3 ARG 16 1HD ARG 16 4.028 -4.351 13.425 90 HE ARG 16 HE ARG 16 3.129 -6.101 15.597 91 HH11 ARG 16 1HH1 ARG 16 2.740 -3.196 13.766 92 HH12 ARG 16 2HH1 ARG 16 1.184 -2.867 14.450 93 HH21 ARG 16 1HH2 ARG 16 1.141 -5.644 16.457 94 HH22 ARG 16 2HH2 ARG 16 0.302 -4.217 15.953 95 H MET 17 H MET 17 6.896 -6.136 16.048 96 HA MET 17 HA MET 17 8.937 -8.187 16.301 97 HB2 MET 17 2HB MET 17 7.080 -7.067 18.410 98 HB3 MET 17 1HB MET 17 8.500 -8.065 18.694 99 HG2 MET 17 2HG MET 17 8.474 -5.284 17.537 100 HG3 MET 17 1HG MET 17 8.986 -5.743 19.160 101 HE1 MET 17 3HE MET 17 10.611 -8.377 18.744 102 HE2 MET 17 1HE MET 17 11.244 -7.039 19.705 103 HE3 MET 17 2HE MET 17 12.248 -7.785 18.460 104 H LEU 18 H LEU 18 8.310 -10.096 15.431 105 HA LEU 18 HA LEU 18 5.819 -11.331 16.436 106 HB2 LEU 18 2HB LEU 18 7.462 -11.838 13.960 107 HB3 LEU 18 1HB LEU 18 6.349 -13.046 14.566 108 HG LEU 18 HG LEU 18 5.315 -11.793 12.767 109 HD11 LEU 18 1HD1 LEU 18 4.093 -11.054 15.430 110 HD12 LEU 18 2HD1 LEU 18 3.868 -12.579 14.571 111 HD13 LEU 18 3HD1 LEU 18 3.265 -11.077 13.872 112 HD21 LEU 18 3HD2 LEU 18 4.862 -9.410 12.915 113 HD22 LEU 18 1HD2 LEU 18 6.597 -9.711 12.983 114 HD23 LEU 18 2HD2 LEU 18 5.711 -9.320 14.457 115 H GLY 19 H GLY 19 6.113 -12.673 18.114 116 HA2 GLY 19 2HA GLY 19 7.039 -14.230 19.525 117 HA3 GLY 19 1HA GLY 19 7.879 -14.858 18.118 118 H GLY 20 H GLY 20 8.351 -11.571 19.248 119 HA2 GLY 20 2HA GLY 20 10.098 -10.637 20.493 120 HA3 GLY 20 1HA GLY 20 10.825 -12.227 20.648 121 H ARG 21 H ARG 21 10.182 -11.963 17.448 122 HA ARG 21 HA ARG 21 12.892 -10.939 16.874 123 HB2 ARG 21 2HB ARG 21 11.221 -12.794 15.161 124 HB3 ARG 21 1HB ARG 21 12.913 -12.372 14.924 125 HG2 ARG 21 2HG ARG 21 13.475 -13.500 17.039 126 HG3 ARG 21 1HG ARG 21 11.780 -13.948 17.233 127 HD2 ARG 21 2HD ARG 21 13.673 -14.837 15.058 128 HD3 ARG 21 1HD ARG 21 12.965 -15.832 16.329 129 HE ARG 21 HE ARG 21 11.697 -14.947 13.882 130 HH11 ARG 21 1HH1 ARG 21 11.238 -16.298 17.019 131 HH12 ARG 21 2HH1 ARG 21 9.701 -16.978 16.618 132 HH21 ARG 21 1HH2 ARG 21 9.753 -15.859 13.373 133 HH22 ARG 21 2HH2 ARG 21 8.868 -16.729 14.579 134 HA PRO 22 HA PRO 22 10.747 -7.693 14.626 135 HB2 PRO 22 2HB PRO 22 12.907 -6.239 13.921 136 HB3 PRO 22 1HB PRO 22 12.300 -6.280 15.580 137 HG2 PRO 22 2HG PRO 22 14.630 -7.714 14.378 138 HG3 PRO 22 1HG PRO 22 14.474 -6.968 15.979 139 HD2 PRO 22 2HD PRO 22 14.211 -9.681 15.467 140 HD3 PRO 22 1HD PRO 22 13.543 -8.851 16.886 141 H ARG 23 H ARG 23 9.887 -8.627 12.797 142 HA ARG 23 HA ARG 23 11.644 -9.201 10.507 143 HB2 ARG 23 2HB ARG 23 9.676 -10.189 9.452 144 HB3 ARG 23 1HB ARG 23 9.906 -10.869 11.057 145 HG2 ARG 23 2HG ARG 23 8.040 -9.828 11.924 146 HG3 ARG 23 1HG ARG 23 8.069 -8.534 10.727 147 HD2 ARG 23 2HD ARG 23 6.187 -9.979 10.309 148 HD3 ARG 23 1HD ARG 23 7.359 -10.150 9.004 149 HE ARG 23 HE ARG 23 7.527 -12.116 11.130 150 HH11 ARG 23 1HH1 ARG 23 6.428 -11.335 7.951 151 HH12 ARG 23 2HH1 ARG 23 6.061 -12.981 7.566 152 HH21 ARG 23 1HH2 ARG 23 7.030 -14.226 10.616 153 HH22 ARG 23 2HH2 ARG 23 6.387 -14.589 9.051 154 H CYS 24 H CYS 24 11.158 -8.274 8.376 155 HA CYS 24 HA CYS 24 9.770 -5.673 8.563 156 HB2 CYS 24 2HB CYS 24 12.101 -6.548 6.890 157 HB3 CYS 24 1HB CYS 24 11.101 -5.191 6.385 158 H GLU 25 H GLU 25 7.882 -5.538 7.636 159 HA GLU 25 HA GLU 25 7.206 -7.275 5.346 160 HB2 GLU 25 2HB GLU 25 5.407 -5.747 7.254 161 HB3 GLU 25 1HB GLU 25 4.845 -6.724 5.905 162 HG2 GLU 25 2HG GLU 25 6.423 -7.798 8.238 163 HG3 GLU 25 1HG GLU 25 4.665 -7.826 8.123 164 H CYS 26 H CYS 26 5.938 -6.266 3.587 165 HA CYS 26 HA CYS 26 7.013 -3.797 2.721 166 HB2 CYS 26 2HB CYS 26 6.168 -5.422 1.105 167 HB3 CYS 26 1HB CYS 26 4.534 -5.223 1.731 168 H ALA 27 H ALA 27 6.690 -2.131 4.125 169 HA ALA 27 HA ALA 27 3.937 -1.397 4.861 170 HB1 ALA 27 3HB ALA 27 4.955 0.089 6.508 171 HB2 ALA 27 1HB ALA 27 6.562 -0.320 5.904 172 HB3 ALA 27 2HB ALA 27 5.572 -1.553 6.684 173 HA PRO 28 HA PRO 28 4.085 1.512 1.444 174 HB2 PRO 28 2HB PRO 28 1.806 2.906 2.155 175 HB3 PRO 28 1HB PRO 28 1.813 1.395 1.239 176 HG2 PRO 28 2HG PRO 28 1.365 1.828 4.173 177 HG3 PRO 28 1HG PRO 28 0.510 0.748 3.054 178 HD2 PRO 28 2HD PRO 28 2.374 -0.192 4.736 179 HD3 PRO 28 1HD PRO 28 2.206 -0.844 3.092 180 H ASP 29 H ASP 29 5.881 2.776 1.906 181 HA ASP 29 HA ASP 29 6.083 4.710 3.937 182 HB2 ASP 29 2HB ASP 29 7.975 3.833 2.509 183 HB3 ASP 29 1HB ASP 29 7.375 4.835 1.192 184 H CYS 30 H CYS 30 4.433 6.129 4.197 185 HA CYS 30 HA CYS 30 3.738 7.923 1.965 186 HB2 CYS 30 2HB CYS 30 1.315 7.700 2.555 187 HB3 CYS 30 1HB CYS 30 2.016 6.223 1.905 188 H SER 31 H SER 31 5.378 8.383 4.267 189 HA SER 31 HA SER 31 4.086 9.609 6.424 190 HB2 SER 31 2HB SER 31 6.479 9.041 6.461 191 HB3 SER 31 1HB SER 31 6.806 10.294 5.263 192 HG SER 31 HG SER 31 7.146 11.418 7.042 193 H GLY 32 H GLY 32 5.023 10.962 3.291 194 HA2 GLY 32 2HA GLY 32 3.842 13.560 4.075 195 HA3 GLY 32 1HA GLY 32 4.999 13.324 2.777 196 H LEU 33 H LEU 33 2.027 11.503 3.462 197 HA LEU 33 HA LEU 33 0.846 12.539 0.963 198 HB2 LEU 33 2HB LEU 33 0.943 9.666 1.899 199 HB3 LEU 33 1HB LEU 33 -0.122 10.228 0.625 200 HG LEU 33 HG LEU 33 2.903 10.311 0.535 201 HD11 LEU 33 1HD1 LEU 33 2.004 8.033 0.417 202 HD12 LEU 33 2HD1 LEU 33 2.703 8.537 -1.121 203 HD13 LEU 33 3HD1 LEU 33 0.950 8.518 -0.914 204 HD21 LEU 33 3HD2 LEU 33 1.898 12.134 -0.744 205 HD22 LEU 33 1HD2 LEU 33 0.842 10.987 -1.572 206 HD23 LEU 33 2HD2 LEU 33 2.587 10.922 -1.825 207 HA PRO 34 HA PRO 34 -2.859 13.075 3.411 208 HB2 PRO 34 2HB PRO 34 -4.770 12.978 1.486 209 HB3 PRO 34 1HB PRO 34 -3.668 14.350 1.663 210 HG2 PRO 34 2HG PRO 34 -3.523 12.040 -0.248 211 HG3 PRO 34 1HG PRO 34 -3.252 13.766 -0.558 212 HD2 PRO 34 2HD PRO 34 -1.215 12.001 -0.197 213 HD3 PRO 34 1HD PRO 34 -1.100 13.709 0.273 214 H ALA 35 H ALA 35 -3.636 11.536 4.738 215 HA ALA 35 HA ALA 35 -4.258 8.862 3.670 216 HB1 ALA 35 3HB ALA 35 -4.120 8.096 5.986 217 HB2 ALA 35 1HB ALA 35 -3.870 9.755 6.531 218 HB3 ALA 35 2HB ALA 35 -2.660 8.966 5.520 219 H ARG 36 H ARG 36 -6.004 11.391 3.659 220 HA ARG 36 HA ARG 36 -8.384 10.211 4.953 221 HB2 ARG 36 2HB ARG 36 -9.223 12.536 5.237 222 HB3 ARG 36 1HB ARG 36 -7.752 12.203 6.142 223 HG2 ARG 36 2HG ARG 36 -6.446 13.324 4.354 224 HG3 ARG 36 1HG ARG 36 -7.963 13.739 3.553 225 HD2 ARG 36 2HD ARG 36 -8.658 15.036 5.492 226 HD3 ARG 36 1HD ARG 36 -7.189 14.572 6.353 227 HE ARG 36 HE ARG 36 -6.665 15.885 3.857 228 HH11 ARG 36 1HH1 ARG 36 -7.324 16.369 7.204 229 HH12 ARG 36 2HH1 ARG 36 -6.633 17.954 7.220 230 HH21 ARG 36 1HH2 ARG 36 -5.777 17.934 3.902 231 HH22 ARG 36 2HH2 ARG 36 -5.773 18.821 5.388 232 H LEU 37 H LEU 37 -7.064 11.393 2.003 233 HA LEU 37 HA LEU 37 -9.685 11.882 0.805 234 HB2 LEU 37 2HB LEU 37 -7.757 13.463 0.511 235 HB3 LEU 37 1HB LEU 37 -6.948 12.227 -0.429 236 HG LEU 37 HG LEU 37 -9.661 13.247 -1.255 237 HD11 LEU 37 1HD1 LEU 37 -8.555 14.891 -2.686 238 HD12 LEU 37 2HD1 LEU 37 -6.997 14.477 -1.968 239 HD13 LEU 37 3HD1 LEU 37 -8.256 15.216 -0.980 240 HD21 LEU 37 3HD2 LEU 37 -8.826 11.236 -2.365 241 HD22 LEU 37 1HD2 LEU 37 -7.342 12.081 -2.808 242 HD23 LEU 37 2HD2 LEU 37 -8.888 12.593 -3.485 243 H GLN 38 H GLN 38 -10.738 10.335 -0.272 244 HA GLN 38 HA GLN 38 -9.556 7.777 -0.771 245 HB2 GLN 38 2HB GLN 38 -12.258 8.908 -1.517 246 HB3 GLN 38 1HB GLN 38 -11.778 7.240 -1.806 247 HG2 GLN 38 2HG GLN 38 -11.429 6.956 0.624 248 HG3 GLN 38 1HG GLN 38 -12.022 8.598 0.875 249 HE21 GLN 38 1HE2 GLN 38 -14.200 9.024 0.608 250 HE22 GLN 38 2HE2 GLN 38 -15.382 7.769 0.513 251 H VAL 39 H VAL 39 -9.078 6.740 -2.687 252 HA VAL 39 HA VAL 39 -8.981 8.412 -5.126 253 HB VAL 39 HB VAL 39 -6.772 7.433 -5.668 254 HG11 VAL 39 1HG1 VAL 39 -5.450 8.741 -4.059 255 HG12 VAL 39 2HG1 VAL 39 -6.866 8.882 -3.014 256 HG13 VAL 39 3HG1 VAL 39 -6.872 9.627 -4.613 257 HG21 VAL 39 3HG2 VAL 39 -6.923 6.275 -2.875 258 HG22 VAL 39 1HG2 VAL 39 -5.487 6.282 -3.901 259 HG23 VAL 39 2HG2 VAL 39 -6.916 5.370 -4.389 260 H CYS 40 H CYS 40 -8.767 7.170 -7.141 261 HA CYS 40 HA CYS 40 -10.187 4.583 -6.967 262 HB2 CYS 40 2HB CYS 40 -11.350 6.328 -8.254 263 HB3 CYS 40 1HB CYS 40 -9.953 6.488 -9.313 264 H GLY 41 H GLY 41 -9.193 2.761 -7.538 265 HA2 GLY 41 2HA GLY 41 -6.485 2.835 -8.579 266 HA3 GLY 41 1HA GLY 41 -7.377 1.412 -8.072 267 H SER 42 H SER 42 -5.760 1.648 -10.423 268 HA SER 42 HA SER 42 -7.071 2.204 -12.797 269 HB2 SER 42 2HB SER 42 -4.689 1.733 -12.738 270 HB3 SER 42 1HB SER 42 -4.998 0.062 -12.272 271 HG SER 42 HG SER 42 -4.705 -0.032 -14.430 272 H ASP 43 H ASP 43 -7.396 -0.673 -10.807 273 HA ASP 43 HA ASP 43 -8.779 -2.176 -12.849 274 HB2 ASP 43 2HB ASP 43 -7.326 -3.281 -11.196 275 HB3 ASP 43 1HB ASP 43 -8.393 -2.753 -9.898 276 H GLY 44 H GLY 44 -9.760 0.358 -10.977 277 HA2 GLY 44 2HA GLY 44 -11.936 1.228 -10.848 278 HA3 GLY 44 1HA GLY 44 -12.579 -0.353 -11.250 279 H ALA 45 H ALA 45 -10.217 -0.173 -8.746 280 HA ALA 45 HA ALA 45 -12.244 -0.877 -6.748 281 HB1 ALA 45 3HB ALA 45 -10.336 -1.652 -5.401 282 HB2 ALA 45 1HB ALA 45 -9.230 -1.090 -6.653 283 HB3 ALA 45 2HB ALA 45 -10.358 -2.402 -6.998 284 H THR 46 H THR 46 -12.772 0.433 -5.088 285 HA THR 46 HA THR 46 -11.638 3.103 -4.953 286 HB THR 46 HB THR 46 -13.963 1.782 -3.553 287 HG1 THR 46 HG1 THR 46 -15.153 3.056 -4.854 288 HG21 THR 46 3HG2 THR 46 -12.893 4.567 -3.047 289 HG22 THR 46 1HG2 THR 46 -12.939 3.238 -1.887 290 HG23 THR 46 2HG2 THR 46 -14.441 3.953 -2.469 291 H TYR 47 H TYR 47 -9.998 3.642 -3.674 292 HA TYR 47 HA TYR 47 -9.534 2.102 -1.195 293 HB2 TYR 47 2HB TYR 47 -7.578 3.637 -2.924 294 HB3 TYR 47 1HB TYR 47 -7.175 2.948 -1.353 295 HD1 TYR 47 HD1 TYR 47 -7.064 0.515 -1.049 296 HD2 TYR 47 HD2 TYR 47 -7.856 2.216 -4.870 297 HE1 TYR 47 HE1 TYR 47 -6.580 -1.649 -2.107 298 HE2 TYR 47 HE2 TYR 47 -7.371 0.056 -5.939 299 HH TYR 47 HH TYR 47 -7.132 -2.840 -4.196 300 H ARG 48 H ARG 48 -8.988 3.227 0.718 301 HA ARG 48 HA ARG 48 -10.568 5.613 1.003 302 HB2 ARG 48 2HB ARG 48 -8.816 4.364 3.124 303 HB3 ARG 48 1HB ARG 48 -10.244 5.364 3.354 304 HG2 ARG 48 2HG ARG 48 -10.106 2.514 2.394 305 HG3 ARG 48 1HG ARG 48 -10.896 3.144 3.841 306 HD2 ARG 48 2HD ARG 48 -12.553 4.284 2.469 307 HD3 ARG 48 1HD ARG 48 -11.738 3.752 0.998 308 HE ARG 48 HE ARG 48 -13.524 2.228 2.642 309 HH11 ARG 48 1HH1 ARG 48 -10.876 1.975 0.457 310 HH12 ARG 48 2HH1 ARG 48 -11.315 0.395 -0.074 311 HH21 ARG 48 1HH2 ARG 48 -14.088 0.199 1.953 312 HH22 ARG 48 2HH2 ARG 48 -13.124 -0.596 0.757 313 H ASP 49 H ASP 49 -7.233 4.962 0.528 314 HA ASP 49 HA ASP 49 -6.634 7.738 0.222 315 HB2 ASP 49 2HB ASP 49 -4.766 7.768 1.909 316 HB3 ASP 49 1HB ASP 49 -6.383 7.746 2.602 317 H GLU 50 H GLU 50 -4.373 8.088 -0.534 318 HA GLU 50 HA GLU 50 -3.670 6.308 -2.574 319 HB2 GLU 50 2HB GLU 50 -3.012 8.833 -2.079 320 HB3 GLU 50 1HB GLU 50 -1.584 8.100 -1.370 321 HG2 GLU 50 2HG GLU 50 -2.508 7.722 -4.216 322 HG3 GLU 50 1HG GLU 50 -1.247 8.831 -3.693 323 H CYS 51 H CYS 51 -2.401 6.624 0.711 324 HA CYS 51 HA CYS 51 -0.216 4.869 0.518 325 HB2 CYS 51 2HB CYS 51 -0.701 6.435 2.424 326 HB3 CYS 51 1HB CYS 51 -1.928 5.304 2.974 327 H GLU 52 H GLU 52 -3.623 4.226 1.231 328 HA GLU 52 HA GLU 52 -3.377 1.467 1.824 329 HB2 GLU 52 2HB GLU 52 -5.379 2.799 2.375 330 HB3 GLU 52 1HB GLU 52 -5.736 2.977 0.663 331 HG2 GLU 52 2HG GLU 52 -6.107 0.582 0.464 332 HG3 GLU 52 1HG GLU 52 -5.674 0.360 2.159 333 H LEU 53 H LEU 53 -4.042 3.188 -1.208 334 HA LEU 53 HA LEU 53 -4.311 0.906 -2.860 335 HB2 LEU 53 2HB LEU 53 -5.106 3.139 -3.496 336 HB3 LEU 53 1HB LEU 53 -3.457 3.726 -3.565 337 HG LEU 53 HG LEU 53 -4.248 1.439 -5.341 338 HD11 LEU 53 1HD1 LEU 53 -4.865 4.340 -5.903 339 HD12 LEU 53 2HD1 LEU 53 -6.042 3.048 -5.653 340 HD13 LEU 53 3HD1 LEU 53 -4.986 3.018 -7.066 341 HD21 LEU 53 3HD2 LEU 53 -2.376 3.785 -5.725 342 HD22 LEU 53 1HD2 LEU 53 -2.598 2.434 -6.838 343 HD23 LEU 53 2HD2 LEU 53 -1.893 2.159 -5.246 344 H ARG 54 H ARG 54 -1.514 3.011 -2.205 345 HA ARG 54 HA ARG 54 0.388 1.774 -3.801 346 HB2 ARG 54 2HB ARG 54 0.665 3.914 -2.542 347 HB3 ARG 54 1HB ARG 54 0.851 2.985 -1.062 348 HG2 ARG 54 2HG ARG 54 2.881 1.965 -1.922 349 HG3 ARG 54 1HG ARG 54 2.671 2.798 -3.464 350 HD2 ARG 54 2HD ARG 54 3.138 4.100 -0.779 351 HD3 ARG 54 1HD ARG 54 4.317 3.950 -2.083 352 HE ARG 54 HE ARG 54 1.847 5.373 -2.710 353 HH11 ARG 54 1HH1 ARG 54 5.158 5.601 -1.768 354 HH12 ARG 54 2HH1 ARG 54 5.309 7.233 -2.310 355 HH21 ARG 54 1HH2 ARG 54 2.048 7.458 -3.374 356 HH22 ARG 54 2HH2 ARG 54 3.575 8.269 -3.228 357 H ALA 55 H ALA 55 -0.706 0.901 -0.546 358 HA ALA 55 HA ALA 55 1.082 -1.250 -0.104 359 HB1 ALA 55 3HB ALA 55 -0.230 -0.217 1.688 360 HB2 ALA 55 1HB ALA 55 -0.491 -1.960 1.623 361 HB3 ALA 55 2HB ALA 55 -1.712 -0.859 0.980 362 H ALA 56 H ALA 56 -2.244 -1.183 -1.415 363 HA ALA 56 HA ALA 56 -2.558 -3.919 -1.906 364 HB1 ALA 56 3HB ALA 56 -4.291 -3.272 -3.509 365 HB2 ALA 56 1HB ALA 56 -3.708 -1.610 -3.474 366 HB3 ALA 56 2HB ALA 56 -4.404 -2.329 -2.023 367 H ARG 57 H ARG 57 -1.090 -1.406 -3.931 368 HA ARG 57 HA ARG 57 -0.589 -2.959 -6.215 369 HB2 ARG 57 2HB ARG 57 -0.310 -0.550 -6.263 370 HB3 ARG 57 1HB ARG 57 0.981 -0.636 -5.071 371 HG2 ARG 57 2HG ARG 57 2.403 -1.815 -6.642 372 HG3 ARG 57 1HG ARG 57 1.104 -1.843 -7.834 373 HD2 ARG 57 2HD ARG 57 1.159 0.591 -7.972 374 HD3 ARG 57 1HD ARG 57 2.417 0.646 -6.733 375 HE ARG 57 HE ARG 57 3.392 -0.987 -8.725 376 HH11 ARG 57 1HH1 ARG 57 2.351 2.292 -8.521 377 HH12 ARG 57 2HH1 ARG 57 3.421 2.816 -9.766 378 HH21 ARG 57 1HH2 ARG 57 4.737 -0.309 -10.319 379 HH22 ARG 57 2HH2 ARG 57 4.771 1.360 -10.770 380 H CYS 58 H CYS 58 1.533 -2.322 -3.411 381 HA CYS 58 HA CYS 58 3.634 -4.050 -4.203 382 HB2 CYS 58 2HB CYS 58 4.044 -2.372 -2.518 383 HB3 CYS 58 1HB CYS 58 2.816 -3.061 -1.459 384 H ARG 59 H ARG 59 0.626 -4.637 -2.519 385 HA ARG 59 HA ARG 59 1.151 -7.181 -1.456 386 HB2 ARG 59 2HB ARG 59 -0.839 -5.757 -0.947 387 HB3 ARG 59 1HB ARG 59 -1.487 -6.156 -2.533 388 HG2 ARG 59 2HG ARG 59 -1.463 -8.560 -1.866 389 HG3 ARG 59 1HG ARG 59 -0.989 -8.051 -0.242 390 HD2 ARG 59 2HD ARG 59 -3.064 -6.633 -0.184 391 HD3 ARG 59 1HD ARG 59 -3.552 -7.398 -1.699 392 HE ARG 59 HE ARG 59 -3.148 -8.851 0.835 393 HH11 ARG 59 1HH1 ARG 59 -4.821 -8.430 -2.143 394 HH12 ARG 59 2HH1 ARG 59 -5.904 -9.737 -1.840 395 HH21 ARG 59 1HH2 ARG 59 -4.540 -10.509 1.208 396 HH22 ARG 59 2HH2 ARG 59 -5.768 -10.881 0.045 397 H GLY 60 H GLY 60 0.054 -6.195 -4.676 398 HA2 GLY 60 2HA GLY 60 1.246 -8.093 -6.184 399 HA3 GLY 60 1HA GLY 60 -0.184 -8.936 -5.613 400 H HIS 61 H HIS 61 -0.004 -5.500 -6.468 401 HA HIS 61 HA HIS 61 -1.533 -6.049 -8.922 402 HB2 HIS 61 2HB HIS 61 -2.287 -4.030 -6.796 403 HB3 HIS 61 1HB HIS 61 -2.990 -4.068 -8.410 404 HD1 HIS 61 HD1 HIS 61 -4.161 -6.500 -9.000 405 HD2 HIS 61 HD2 HIS 61 -3.696 -5.503 -4.989 406 HE1 HIS 61 HE1 HIS 61 -5.766 -7.965 -7.751 407 HE2 HIS 61 HE2 HIS 61 -5.404 -7.422 -5.330 408 HA PRO 62 HA PRO 62 2.020 -3.150 -9.705 409 HB2 PRO 62 2HB PRO 62 2.777 -4.274 -12.067 410 HB3 PRO 62 1HB PRO 62 3.320 -4.875 -10.495 411 HG2 PRO 62 2HG PRO 62 1.117 -5.901 -12.256 412 HG3 PRO 62 1HG PRO 62 2.354 -6.812 -11.368 413 HD2 PRO 62 2HD PRO 62 -0.181 -6.536 -10.455 414 HD3 PRO 62 1HD PRO 62 1.215 -6.649 -9.364 415 H ASP 63 H ASP 63 -0.625 -4.202 -11.780 416 HA ASP 63 HA ASP 63 -0.387 -1.976 -13.612 417 HB2 ASP 63 2HB ASP 63 -2.688 -3.917 -13.285 418 HB3 ASP 63 1HB ASP 63 -2.346 -2.905 -14.686 419 H LEU 64 H LEU 64 -1.671 -2.371 -10.526 420 HA LEU 64 HA LEU 64 -3.911 -0.536 -10.903 421 HB2 LEU 64 2HB LEU 64 -3.990 -2.714 -9.557 422 HB3 LEU 64 1HB LEU 64 -3.083 -1.862 -8.326 423 HG LEU 64 HG LEU 64 -5.742 -0.841 -9.335 424 HD11 LEU 64 1HD1 LEU 64 -5.265 -2.720 -7.018 425 HD12 LEU 64 2HD1 LEU 64 -6.087 -3.115 -8.528 426 HD13 LEU 64 3HD1 LEU 64 -6.794 -1.938 -7.423 427 HD21 LEU 64 3HD2 LEU 64 -5.799 0.287 -7.153 428 HD22 LEU 64 1HD2 LEU 64 -4.393 0.766 -8.100 429 HD23 LEU 64 2HD2 LEU 64 -4.209 -0.379 -6.769 430 H SER 65 H SER 65 -3.528 1.547 -10.805 431 HA SER 65 HA SER 65 -2.026 2.674 -8.563 432 HB2 SER 65 2HB SER 65 -1.501 3.411 -11.463 433 HB3 SER 65 1HB SER 65 -0.872 4.299 -10.076 434 HG SER 65 HG SER 65 -0.338 1.621 -9.934 435 H VAL 66 H VAL 66 -2.415 5.126 -8.435 436 HA VAL 66 HA VAL 66 -5.230 5.567 -8.464 437 HB VAL 66 HB VAL 66 -3.005 7.585 -8.053 438 HG11 VAL 66 1HG1 VAL 66 -5.091 8.698 -8.610 439 HG12 VAL 66 2HG1 VAL 66 -4.733 8.925 -6.899 440 HG13 VAL 66 3HG1 VAL 66 -5.952 7.751 -7.394 441 HG21 VAL 66 3HG2 VAL 66 -2.894 5.762 -6.431 442 HG22 VAL 66 1HG2 VAL 66 -4.596 6.001 -6.029 443 HG23 VAL 66 2HG2 VAL 66 -3.415 7.259 -5.656 444 H MET 67 H MET 67 -6.345 5.870 -10.296 445 HA MET 67 HA MET 67 -5.238 7.258 -12.584 446 HB2 MET 67 2HB MET 67 -8.040 6.226 -12.076 447 HB3 MET 67 1HB MET 67 -7.480 6.896 -13.600 448 HG2 MET 67 2HG MET 67 -5.791 5.083 -13.718 449 HG3 MET 67 1HG MET 67 -6.501 4.380 -12.267 450 HE1 MET 67 3HE MET 67 -10.136 3.515 -13.558 451 HE2 MET 67 1HE MET 67 -9.640 5.046 -12.836 452 HE3 MET 67 2HE MET 67 -9.057 3.523 -12.164 453 H TYR 68 H TYR 68 -7.993 7.854 -10.392 454 HA TYR 68 HA TYR 68 -7.482 10.725 -10.542 455 HB2 TYR 68 2HB TYR 68 -9.850 11.258 -11.001 456 HB3 TYR 68 1HB TYR 68 -9.111 10.378 -12.330 457 HD1 TYR 68 HD2 TYR 68 -9.735 8.017 -12.758 458 HD2 TYR 68 HD1 TYR 68 -11.687 10.324 -9.754 459 HE1 TYR 68 HE2 TYR 68 -11.563 6.376 -12.691 460 HE2 TYR 68 HE1 TYR 68 -13.519 8.691 -9.686 461 HH TYR 68 HH TYR 68 -13.304 5.631 -11.208 462 H ARG 69 H ARG 69 -8.823 11.937 -8.917 463 HA ARG 69 HA ARG 69 -8.960 10.354 -6.448 464 HB2 ARG 69 2HB ARG 69 -8.834 13.341 -6.908 465 HB3 ARG 69 1HB ARG 69 -8.983 12.593 -5.321 466 HG2 ARG 69 2HG ARG 69 -6.844 11.426 -5.684 467 HG3 ARG 69 1HG ARG 69 -6.690 12.222 -7.250 468 HD2 ARG 69 2HD ARG 69 -6.609 14.395 -6.171 469 HD3 ARG 69 1HD ARG 69 -6.872 13.650 -4.593 470 HE ARG 69 HE ARG 69 -4.574 12.561 -5.848 471 HH11 ARG 69 1HH1 ARG 69 -5.673 15.393 -4.233 472 HH12 ARG 69 2HH1 ARG 69 -4.104 15.793 -3.638 473 HH21 ARG 69 1HH2 ARG 69 -2.571 13.092 -5.105 474 HH22 ARG 69 2HH2 ARG 69 -2.353 14.530 -4.164 475 H GLY 70 H GLY 70 -10.720 10.600 -4.949 476 HA2 GLY 70 2HA GLY 70 -12.983 11.138 -4.430 477 HA3 GLY 70 1HA GLY 70 -13.259 11.532 -6.120 478 H ARG 71 H ARG 71 -11.928 8.663 -4.505 479 HA ARG 71 HA ARG 71 -12.174 6.442 -4.899 480 HB2 ARG 71 2HB ARG 71 -14.308 5.515 -4.339 481 HB3 ARG 71 1HB ARG 71 -14.006 6.901 -3.311 482 HG2 ARG 71 2HG ARG 71 -15.589 7.420 -5.757 483 HG3 ARG 71 1HG ARG 71 -16.353 6.408 -4.531 484 HD2 ARG 71 2HD ARG 71 -15.927 8.169 -2.851 485 HD3 ARG 71 1HD ARG 71 -15.231 9.184 -4.115 486 HE ARG 71 HE ARG 71 -17.758 8.485 -4.985 487 HH11 ARG 71 1HH1 ARG 71 -16.406 10.193 -2.324 488 HH12 ARG 71 2HH1 ARG 71 -17.787 11.206 -2.121 489 HH21 ARG 71 1HH2 ARG 71 -19.527 9.770 -4.718 490 HH22 ARG 71 2HH2 ARG 71 -19.543 10.978 -3.481 491 H CYS 72 H CYS 72 -13.724 4.701 -6.136 492 HA CYS 72 HA CYS 72 -13.469 5.423 -8.954 493 HB2 CYS 72 2HB CYS 72 -14.031 2.796 -7.572 494 HB3 CYS 72 1HB CYS 72 -14.087 2.985 -9.322 495 H ARG 73 H ARG 73 -15.109 6.507 -9.800 496 HA ARG 73 HA ARG 73 -17.873 5.809 -9.010 497 HB2 ARG 73 2HB ARG 73 -18.426 8.189 -9.508 498 HB3 ARG 73 1HB ARG 73 -17.265 8.003 -8.197 499 HG2 ARG 73 2HG ARG 73 -15.439 8.452 -9.837 500 HG3 ARG 73 1HG ARG 73 -16.675 8.808 -11.041 501 HD2 ARG 73 2HD ARG 73 -17.509 10.644 -9.643 502 HD3 ARG 73 1HD ARG 73 -16.284 10.274 -8.424 503 HE ARG 73 HE ARG 73 -15.529 11.036 -11.166 504 HH11 ARG 73 1HH1 ARG 73 -15.347 11.580 -7.758 505 HH12 ARG 73 2HH1 ARG 73 -14.051 12.711 -7.916 506 HH21 ARG 73 1HH2 ARG 73 -13.875 12.469 -11.330 507 HH22 ARG 73 2HH2 ARG 73 -13.243 13.225 -9.907 508 H LYS 74 H LYS 74 -19.262 5.210 -10.556 509 HA LYS 74 HA LYS 74 -19.100 6.257 -13.234 510 HB2 LYS 74 2HB LYS 74 -19.119 3.939 -14.294 511 HB3 LYS 74 1HB LYS 74 -17.583 4.506 -13.662 512 HG2 LYS 74 2HG LYS 74 -17.761 3.086 -11.744 513 HG3 LYS 74 1HG LYS 74 -19.420 2.647 -12.157 514 HD2 LYS 74 2HD LYS 74 -17.883 0.850 -12.750 515 HD3 LYS 74 1HD LYS 74 -18.614 1.537 -14.199 516 HE2 LYS 74 2HE LYS 74 -16.573 2.854 -14.591 517 HE3 LYS 74 1HE LYS 74 -15.852 2.163 -13.138 518 HZ1 LYS 74 3HZ LYS 74 -16.673 0.645 -15.558 519 HZ2 LYS 74 1HZ LYS 74 -16.004 -0.029 -14.158 520 HZ3 LYS 74 2HZ LYS 74 -15.088 1.020 -15.116 Start of MODEL 19 1 H1 SER 1 1H SER 1 6.393 -2.288 21.682 2 H2 SER 1 2H SER 1 6.471 -2.107 23.362 3 H3 SER 1 3H SER 1 6.764 -3.618 22.659 4 HA SER 1 HA SER 1 8.430 -1.193 22.292 5 HB2 SER 1 2HB SER 1 9.003 -3.706 23.896 6 HB3 SER 1 1HB SER 1 10.090 -2.332 23.699 7 HG SER 1 HG SER 1 9.086 -1.935 25.588 8 H ASP 2 H ASP 2 8.791 -1.364 20.095 9 HA ASP 2 HA ASP 2 9.784 -3.938 19.066 10 HB2 ASP 2 2HB ASP 2 8.692 -1.516 17.627 11 HB3 ASP 2 1HB ASP 2 9.416 -2.892 16.802 12 H SER 3 H SER 3 11.928 -4.012 19.509 13 HA SER 3 HA SER 3 13.605 -1.985 18.157 14 HB2 SER 3 2HB SER 3 14.266 -3.488 20.708 15 HB3 SER 3 1HB SER 3 15.381 -2.438 19.837 16 HG SER 3 HG SER 3 14.490 -0.795 20.773 17 H CYS 4 H CYS 4 14.652 -2.818 16.469 18 HA CYS 4 HA CYS 4 14.752 -5.757 16.208 19 HB2 CYS 4 2HB CYS 4 14.867 -3.601 14.086 20 HB3 CYS 4 1HB CYS 4 14.786 -5.339 13.796 21 H ASP 5 H ASP 5 16.633 -6.819 16.144 22 HA ASP 5 HA ASP 5 19.113 -5.343 16.418 23 HB2 ASP 5 2HB ASP 5 18.586 -8.325 16.456 24 HB3 ASP 5 1HB ASP 5 20.103 -7.544 16.899 25 H GLY 6 H GLY 6 20.253 -4.718 14.681 26 HA2 GLY 6 2HA GLY 6 21.486 -4.909 12.732 27 HA3 GLY 6 1HA GLY 6 21.049 -6.607 12.665 28 H VAL 7 H VAL 7 18.156 -6.052 12.689 29 HA VAL 7 HA VAL 7 17.714 -5.811 9.902 30 HB VAL 7 HB VAL 7 15.598 -5.495 12.039 31 HG11 VAL 7 1HG1 VAL 7 14.823 -5.030 9.796 32 HG12 VAL 7 2HG1 VAL 7 14.150 -6.565 10.345 33 HG13 VAL 7 3HG1 VAL 7 15.501 -6.550 9.210 34 HG21 VAL 7 3HG2 VAL 7 16.759 -8.069 10.962 35 HG22 VAL 7 1HG2 VAL 7 15.323 -7.943 11.981 36 HG23 VAL 7 2HG2 VAL 7 16.896 -7.461 12.614 37 H GLU 8 H GLU 8 18.144 -3.898 8.925 38 HA GLU 8 HA GLU 8 17.215 -1.404 10.165 39 HB2 GLU 8 2HB GLU 8 19.053 -1.910 7.814 40 HB3 GLU 8 1HB GLU 8 18.568 -0.310 8.359 41 HG2 GLU 8 2HG GLU 8 19.643 -0.688 10.507 42 HG3 GLU 8 1HG GLU 8 20.085 -2.324 10.018 43 H CYS 9 H CYS 9 15.129 -1.021 9.712 44 HA CYS 9 HA CYS 9 14.324 -1.025 6.881 45 HB2 CYS 9 2HB CYS 9 12.734 -2.158 9.191 46 HB3 CYS 9 1HB CYS 9 12.044 -1.820 7.606 47 H GLY 10 H GLY 10 13.151 0.686 6.215 48 HA2 GLY 10 2HA GLY 10 11.612 2.374 7.923 49 HA3 GLY 10 1HA GLY 10 13.176 3.100 7.590 50 HA PRO 11 HA PRO 11 11.749 4.526 3.615 51 HB2 PRO 11 2HB PRO 11 14.003 3.278 2.172 52 HB3 PRO 11 1HB PRO 11 13.611 4.987 2.379 53 HG2 PRO 11 2HG PRO 11 15.702 3.853 3.639 54 HG3 PRO 11 1HG PRO 11 14.744 5.140 4.392 55 HD2 PRO 11 2HD PRO 11 14.631 2.177 4.858 56 HD3 PRO 11 1HD PRO 11 14.565 3.506 6.036 57 H GLY 12 H GLY 12 9.976 2.892 3.778 58 HA2 GLY 12 2HA GLY 12 8.619 1.762 2.169 59 HA3 GLY 12 1HA GLY 12 10.072 1.105 1.436 60 H LYS 13 H LYS 13 10.455 0.755 4.728 61 HA LYS 13 HA LYS 13 8.904 -1.719 4.950 62 HB2 LYS 13 2HB LYS 13 11.917 -1.624 5.126 63 HB3 LYS 13 1HB LYS 13 10.969 -2.924 5.834 64 HG2 LYS 13 2HG LYS 13 10.051 -3.403 3.567 65 HG3 LYS 13 1HG LYS 13 11.174 -2.205 2.916 66 HD2 LYS 13 2HD LYS 13 11.906 -4.727 4.422 67 HD3 LYS 13 1HD LYS 13 12.105 -4.448 2.692 68 HE2 LYS 13 2HE LYS 13 13.706 -2.659 3.150 69 HE3 LYS 13 1HE LYS 13 13.488 -2.891 4.885 70 HZ1 LYS 13 3HZ LYS 13 14.343 -5.167 4.600 71 HZ2 LYS 13 1HZ LYS 13 15.474 -3.988 4.169 72 HZ3 LYS 13 2HZ LYS 13 14.645 -4.841 2.969 73 H ALA 14 H ALA 14 8.468 -2.384 7.025 74 HA ALA 14 HA ALA 14 9.754 -0.961 9.269 75 HB1 ALA 14 3HB ALA 14 7.594 -0.917 10.462 76 HB2 ALA 14 1HB ALA 14 6.798 -1.569 9.028 77 HB3 ALA 14 2HB ALA 14 7.542 0.030 8.974 78 H CYS 15 H CYS 15 10.228 -2.275 11.064 79 HA CYS 15 HA CYS 15 9.865 -5.156 10.579 80 HB2 CYS 15 2HB CYS 15 11.711 -5.524 12.159 81 HB3 CYS 15 1HB CYS 15 12.187 -4.464 10.840 82 H ARG 16 H ARG 16 9.168 -6.561 12.187 83 HA ARG 16 HA ARG 16 7.540 -5.341 14.329 84 HB2 ARG 16 2HB ARG 16 6.138 -5.801 12.377 85 HB3 ARG 16 1HB ARG 16 6.733 -7.449 12.304 86 HG2 ARG 16 2HG ARG 16 4.557 -7.541 13.206 87 HG3 ARG 16 1HG ARG 16 5.667 -7.841 14.541 88 HD2 ARG 16 2HD ARG 16 4.745 -5.040 14.055 89 HD3 ARG 16 1HD ARG 16 3.615 -6.180 14.776 90 HE ARG 16 HE ARG 16 5.966 -5.040 16.003 91 HH11 ARG 16 1HH1 ARG 16 3.610 -7.556 16.101 92 HH12 ARG 16 2HH1 ARG 16 3.833 -7.847 17.792 93 HH21 ARG 16 1HH2 ARG 16 6.245 -5.412 18.152 94 HH22 ARG 16 2HH2 ARG 16 5.321 -6.645 18.947 95 H MET 17 H MET 17 7.648 -6.388 16.271 96 HA MET 17 HA MET 17 9.493 -8.557 16.624 97 HB2 MET 17 2HB MET 17 7.555 -7.257 18.550 98 HB3 MET 17 1HB MET 17 8.760 -8.447 19.015 99 HG2 MET 17 2HG MET 17 9.825 -6.137 17.546 100 HG3 MET 17 1HG MET 17 9.111 -5.755 19.109 101 HE1 MET 17 3HE MET 17 11.017 -9.067 18.012 102 HE2 MET 17 1HE MET 17 12.656 -8.677 18.535 103 HE3 MET 17 2HE MET 17 11.911 -7.772 17.216 104 H LEU 18 H LEU 18 8.911 -10.507 15.817 105 HA LEU 18 HA LEU 18 6.337 -11.667 16.687 106 HB2 LEU 18 2HB LEU 18 7.692 -12.005 14.005 107 HB3 LEU 18 1HB LEU 18 6.291 -12.920 14.532 108 HG LEU 18 HG LEU 18 6.368 -9.924 14.113 109 HD11 LEU 18 1HD1 LEU 18 4.913 -10.385 12.189 110 HD12 LEU 18 2HD1 LEU 18 5.107 -12.117 12.462 111 HD13 LEU 18 3HD1 LEU 18 6.499 -11.131 12.009 112 HD21 LEU 18 3HD2 LEU 18 4.065 -11.750 14.817 113 HD22 LEU 18 1HD2 LEU 18 3.939 -10.032 14.433 114 HD23 LEU 18 2HD2 LEU 18 4.806 -10.550 15.876 115 H GLY 19 H GLY 19 6.678 -13.333 18.016 116 HA2 GLY 19 2HA GLY 19 7.504 -15.282 18.903 117 HA3 GLY 19 1HA GLY 19 8.134 -15.632 17.303 118 H GLY 20 H GLY 20 9.161 -12.781 19.052 119 HA2 GLY 20 2HA GLY 20 11.107 -12.435 20.327 120 HA3 GLY 20 1HA GLY 20 11.607 -14.083 19.985 121 H ARG 21 H ARG 21 10.699 -12.786 17.074 122 HA ARG 21 HA ARG 21 13.379 -11.687 16.509 123 HB2 ARG 21 2HB ARG 21 11.912 -13.806 14.927 124 HB3 ARG 21 1HB ARG 21 13.282 -12.901 14.290 125 HG2 ARG 21 2HG ARG 21 14.693 -13.762 16.096 126 HG3 ARG 21 1HG ARG 21 13.323 -14.678 16.728 127 HD2 ARG 21 2HD ARG 21 13.213 -15.986 14.690 128 HD3 ARG 21 1HD ARG 21 14.494 -15.014 13.966 129 HE ARG 21 HE ARG 21 15.977 -15.925 15.722 130 HH11 ARG 21 1HH1 ARG 21 13.072 -17.616 14.989 131 HH12 ARG 21 2HH1 ARG 21 13.723 -19.154 15.432 132 HH21 ARG 21 1HH2 ARG 21 16.809 -17.895 16.288 133 HH22 ARG 21 2HH2 ARG 21 15.825 -19.310 16.160 134 HA PRO 22 HA PRO 22 10.989 -8.539 14.460 135 HB2 PRO 22 2HB PRO 22 13.003 -7.088 13.438 136 HB3 PRO 22 1HB PRO 22 12.704 -7.173 15.178 137 HG2 PRO 22 2HG PRO 22 14.748 -8.613 13.532 138 HG3 PRO 22 1HG PRO 22 14.918 -7.874 15.134 139 HD2 PRO 22 2HD PRO 22 14.524 -10.577 14.683 140 HD3 PRO 22 1HD PRO 22 14.133 -9.742 16.199 141 H ARG 23 H ARG 23 9.825 -8.943 12.660 142 HA ARG 23 HA ARG 23 11.215 -9.756 10.173 143 HB2 ARG 23 2HB ARG 23 8.250 -9.962 10.740 144 HB3 ARG 23 1HB ARG 23 9.152 -10.748 9.452 145 HG2 ARG 23 2HG ARG 23 9.444 -11.345 12.395 146 HG3 ARG 23 1HG ARG 23 8.495 -12.293 11.253 147 HD2 ARG 23 2HD ARG 23 10.527 -12.804 9.985 148 HD3 ARG 23 1HD ARG 23 11.478 -11.834 11.112 149 HE ARG 23 HE ARG 23 10.218 -13.664 12.691 150 HH11 ARG 23 1HH1 ARG 23 12.251 -13.906 9.915 151 HH12 ARG 23 2HH1 ARG 23 12.944 -15.406 10.433 152 HH21 ARG 23 1HH2 ARG 23 11.107 -15.610 13.314 153 HH22 ARG 23 2HH2 ARG 23 12.297 -16.359 12.303 154 H CYS 24 H CYS 24 11.014 -8.475 8.320 155 HA CYS 24 HA CYS 24 9.671 -5.877 8.721 156 HB2 CYS 24 2HB CYS 24 12.006 -6.699 7.021 157 HB3 CYS 24 1HB CYS 24 11.112 -5.225 6.666 158 H GLU 25 H GLU 25 8.163 -5.076 7.362 159 HA GLU 25 HA GLU 25 7.494 -6.569 4.900 160 HB2 GLU 25 2HB GLU 25 5.494 -5.435 6.879 161 HB3 GLU 25 1HB GLU 25 5.092 -6.177 5.337 162 HG2 GLU 25 2HG GLU 25 6.107 -8.298 6.168 163 HG3 GLU 25 1HG GLU 25 6.313 -7.525 7.741 164 H CYS 26 H CYS 26 6.309 -5.263 3.296 165 HA CYS 26 HA CYS 26 7.464 -2.774 2.779 166 HB2 CYS 26 2HB CYS 26 6.482 -4.051 0.979 167 HB3 CYS 26 1HB CYS 26 4.885 -3.952 1.716 168 H ALA 27 H ALA 27 7.262 -0.972 3.926 169 HA ALA 27 HA ALA 27 4.674 -0.254 5.128 170 HB1 ALA 27 3HB ALA 27 6.613 -0.291 6.632 171 HB2 ALA 27 1HB ALA 27 5.921 1.325 6.496 172 HB3 ALA 27 2HB ALA 27 7.408 0.925 5.633 173 HA PRO 28 HA PRO 28 4.293 2.559 1.661 174 HB2 PRO 28 2HB PRO 28 1.855 3.558 2.258 175 HB3 PRO 28 1HB PRO 28 2.078 1.924 1.624 176 HG2 PRO 28 2HG PRO 28 1.669 2.810 4.461 177 HG3 PRO 28 1HG PRO 28 0.921 1.455 3.595 178 HD2 PRO 28 2HD PRO 28 3.026 1.141 5.292 179 HD3 PRO 28 1HD PRO 28 2.758 0.091 3.885 180 H ASP 29 H ASP 29 6.071 3.908 2.488 181 HA ASP 29 HA ASP 29 5.314 6.226 4.073 182 HB2 ASP 29 2HB ASP 29 7.576 5.203 4.295 183 HB3 ASP 29 1HB ASP 29 7.925 5.675 2.633 184 H CYS 30 H CYS 30 3.919 7.513 2.981 185 HA CYS 30 HA CYS 30 4.497 8.261 0.203 186 HB2 CYS 30 2HB CYS 30 2.180 9.358 0.411 187 HB3 CYS 30 1HB CYS 30 2.260 7.599 0.412 188 H SER 31 H SER 31 5.113 10.259 -0.417 189 HA SER 31 HA SER 31 5.620 12.250 1.691 190 HB2 SER 31 2HB SER 31 7.150 13.296 0.046 191 HB3 SER 31 1HB SER 31 7.554 11.605 0.340 192 HG SER 31 HG SER 31 7.527 11.609 -1.791 193 H GLY 32 H GLY 32 4.953 12.680 -1.790 194 HA2 GLY 32 2HA GLY 32 3.259 14.976 -1.141 195 HA3 GLY 32 1HA GLY 32 3.870 14.547 -2.728 196 H LEU 33 H LEU 33 2.065 12.485 -0.475 197 HA LEU 33 HA LEU 33 -0.116 12.327 -2.465 198 HB2 LEU 33 2HB LEU 33 0.741 10.097 -0.615 199 HB3 LEU 33 1HB LEU 33 -0.421 10.001 -1.924 200 HG LEU 33 HG LEU 33 2.574 10.333 -2.177 201 HD11 LEU 33 1HD1 LEU 33 0.737 8.076 -2.977 202 HD12 LEU 33 2HD1 LEU 33 1.878 8.073 -1.632 203 HD13 LEU 33 3HD1 LEU 33 2.472 8.157 -3.289 204 HD21 LEU 33 3HD2 LEU 33 0.501 10.261 -4.374 205 HD22 LEU 33 1HD2 LEU 33 2.251 10.232 -4.601 206 HD23 LEU 33 2HD2 LEU 33 1.476 11.654 -3.907 207 HA PRO 34 HA PRO 34 -2.647 13.727 0.934 208 HB2 PRO 34 2HB PRO 34 -5.098 13.266 -0.117 209 HB3 PRO 34 1HB PRO 34 -4.046 14.560 -0.702 210 HG2 PRO 34 2HG PRO 34 -4.493 11.824 -1.850 211 HG3 PRO 34 1HG PRO 34 -4.429 13.388 -2.687 212 HD2 PRO 34 2HD PRO 34 -2.317 11.679 -2.614 213 HD3 PRO 34 1HD PRO 34 -2.118 13.443 -2.672 214 H ALA 35 H ALA 35 -3.494 12.855 2.781 215 HA ALA 35 HA ALA 35 -3.874 9.945 2.868 216 HB1 ALA 35 3HB ALA 35 -3.580 11.923 5.134 217 HB2 ALA 35 1HB ALA 35 -2.297 10.909 4.475 218 HB3 ALA 35 2HB ALA 35 -3.672 10.169 5.296 219 H ARG 36 H ARG 36 -5.744 8.976 3.566 220 HA ARG 36 HA ARG 36 -7.952 8.636 3.914 221 HB2 ARG 36 2HB ARG 36 -7.885 11.407 5.126 222 HB3 ARG 36 1HB ARG 36 -9.228 10.278 5.262 223 HG2 ARG 36 2HG ARG 36 -7.780 8.699 6.457 224 HG3 ARG 36 1HG ARG 36 -6.438 9.838 6.330 225 HD2 ARG 36 2HD ARG 36 -7.740 11.486 7.626 226 HD3 ARG 36 1HD ARG 36 -9.054 10.317 7.773 227 HE ARG 36 HE ARG 36 -6.780 9.085 8.761 228 HH11 ARG 36 1HH1 ARG 36 -8.692 11.846 9.537 229 HH12 ARG 36 2HH1 ARG 36 -8.316 11.765 11.221 230 HH21 ARG 36 1HH2 ARG 36 -6.306 8.998 10.924 231 HH22 ARG 36 2HH2 ARG 36 -6.961 10.184 11.994 232 H LEU 37 H LEU 37 -6.866 10.606 1.611 233 HA LEU 37 HA LEU 37 -9.472 11.554 0.665 234 HB2 LEU 37 2HB LEU 37 -7.307 12.926 0.542 235 HB3 LEU 37 1HB LEU 37 -6.810 11.845 -0.741 236 HG LEU 37 HG LEU 37 -7.747 14.038 -1.511 237 HD11 LEU 37 1HD1 LEU 37 -7.716 12.113 -3.018 238 HD12 LEU 37 2HD1 LEU 37 -9.127 13.132 -3.304 239 HD13 LEU 37 3HD1 LEU 37 -9.300 11.614 -2.422 240 HD21 LEU 37 3HD2 LEU 37 -9.477 14.292 0.200 241 HD22 LEU 37 1HD2 LEU 37 -10.360 12.927 -0.486 242 HD23 LEU 37 2HD2 LEU 37 -10.155 14.407 -1.426 243 H GLN 38 H GLN 38 -10.596 9.786 0.018 244 HA GLN 38 HA GLN 38 -9.583 7.405 -0.962 245 HB2 GLN 38 2HB GLN 38 -12.317 8.601 -1.452 246 HB3 GLN 38 1HB GLN 38 -11.893 6.908 -1.677 247 HG2 GLN 38 2HG GLN 38 -11.365 6.736 0.721 248 HG3 GLN 38 1HG GLN 38 -11.836 8.422 0.932 249 HE21 GLN 38 1HE2 GLN 38 -12.970 5.189 0.338 250 HE22 GLN 38 2HE2 GLN 38 -14.637 5.509 0.647 251 H VAL 39 H VAL 39 -9.118 6.557 -2.919 252 HA VAL 39 HA VAL 39 -9.515 8.230 -5.323 253 HB VAL 39 HB VAL 39 -7.321 7.521 -6.184 254 HG11 VAL 39 1HG1 VAL 39 -7.143 8.872 -3.485 255 HG12 VAL 39 2HG1 VAL 39 -7.498 9.664 -5.020 256 HG13 VAL 39 3HG1 VAL 39 -5.916 8.931 -4.755 257 HG21 VAL 39 3HG2 VAL 39 -6.918 6.291 -3.452 258 HG22 VAL 39 1HG2 VAL 39 -5.676 6.460 -4.691 259 HG23 VAL 39 2HG2 VAL 39 -7.070 5.418 -4.978 260 H CYS 40 H CYS 40 -9.540 7.053 -7.339 261 HA CYS 40 HA CYS 40 -10.651 4.345 -7.017 262 HB2 CYS 40 2HB CYS 40 -12.018 6.101 -8.174 263 HB3 CYS 40 1HB CYS 40 -10.796 6.154 -9.442 264 H GLY 41 H GLY 41 -9.409 2.651 -7.497 265 HA2 GLY 41 2HA GLY 41 -6.854 3.055 -8.846 266 HA3 GLY 41 1HA GLY 41 -7.383 1.602 -8.018 267 H SER 42 H SER 42 -6.058 1.381 -10.372 268 HA SER 42 HA SER 42 -7.381 1.310 -12.779 269 HB2 SER 42 2HB SER 42 -5.034 0.774 -12.641 270 HB3 SER 42 1HB SER 42 -5.367 -0.665 -11.680 271 HG SER 42 HG SER 42 -5.302 -1.589 -13.582 272 H ASP 43 H ASP 43 -7.612 -1.079 -10.186 273 HA ASP 43 HA ASP 43 -9.007 -3.108 -11.488 274 HB2 ASP 43 2HB ASP 43 -8.070 -3.383 -9.253 275 HB3 ASP 43 1HB ASP 43 -9.191 -2.194 -8.601 276 H GLY 44 H GLY 44 -10.169 -0.028 -10.299 277 HA2 GLY 44 2HA GLY 44 -12.278 0.925 -10.875 278 HA3 GLY 44 1HA GLY 44 -12.913 -0.695 -11.139 279 H ALA 45 H ALA 45 -11.001 -0.243 -8.334 280 HA ALA 45 HA ALA 45 -13.407 -0.214 -6.626 281 HB1 ALA 45 3HB ALA 45 -12.123 -1.481 -4.982 282 HB2 ALA 45 1HB ALA 45 -10.712 -1.447 -6.040 283 HB3 ALA 45 2HB ALA 45 -12.160 -2.326 -6.530 284 H THR 46 H THR 46 -13.411 1.049 -4.765 285 HA THR 46 HA THR 46 -11.710 3.401 -4.867 286 HB THR 46 HB THR 46 -13.965 2.762 -2.942 287 HG1 THR 46 HG1 THR 46 -15.039 2.978 -4.795 288 HG21 THR 46 3HG2 THR 46 -12.439 4.509 -2.124 289 HG22 THR 46 1HG2 THR 46 -14.017 5.179 -2.538 290 HG23 THR 46 2HG2 THR 46 -12.650 5.401 -3.631 291 H TYR 47 H TYR 47 -9.858 3.540 -3.771 292 HA TYR 47 HA TYR 47 -9.442 1.864 -1.386 293 HB2 TYR 47 2HB TYR 47 -7.490 3.374 -3.145 294 HB3 TYR 47 1HB TYR 47 -7.024 2.554 -1.655 295 HD1 TYR 47 HD2 TYR 47 -8.150 2.085 -5.124 296 HD2 TYR 47 HD1 TYR 47 -6.934 0.127 -1.542 297 HE1 TYR 47 HE2 TYR 47 -7.904 -0.025 -6.366 298 HE2 TYR 47 HE1 TYR 47 -6.682 -1.982 -2.776 299 HH TYR 47 HH TYR 47 -6.628 -2.180 -6.133 300 H ARG 48 H ARG 48 -8.406 2.807 0.515 301 HA ARG 48 HA ARG 48 -9.787 4.918 1.618 302 HB2 ARG 48 2HB ARG 48 -6.990 3.993 2.311 303 HB3 ARG 48 1HB ARG 48 -7.987 5.018 3.335 304 HG2 ARG 48 2HG ARG 48 -8.670 2.207 2.482 305 HG3 ARG 48 1HG ARG 48 -8.023 2.675 4.055 306 HD2 ARG 48 2HD ARG 48 -10.655 3.590 2.884 307 HD3 ARG 48 1HD ARG 48 -10.458 2.360 4.132 308 HE ARG 48 HE ARG 48 -9.222 4.536 5.177 309 HH11 ARG 48 1HH1 ARG 48 -12.366 4.009 3.871 310 HH12 ARG 48 2HH1 ARG 48 -13.103 5.184 4.904 311 HH21 ARG 48 1HH2 ARG 48 -10.158 6.043 6.467 312 HH22 ARG 48 2HH2 ARG 48 -11.861 6.330 6.367 313 H ASP 49 H ASP 49 -6.634 5.070 0.005 314 HA ASP 49 HA ASP 49 -7.081 7.641 -1.049 315 HB2 ASP 49 2HB ASP 49 -5.226 8.830 0.210 316 HB3 ASP 49 1HB ASP 49 -6.705 8.544 1.122 317 H GLU 50 H GLU 50 -4.860 8.582 -1.909 318 HA GLU 50 HA GLU 50 -3.792 6.657 -3.661 319 HB2 GLU 50 2HB GLU 50 -3.853 9.020 -4.230 320 HB3 GLU 50 1HB GLU 50 -2.733 9.394 -2.927 321 HG2 GLU 50 2HG GLU 50 -0.949 8.243 -4.031 322 HG3 GLU 50 1HG GLU 50 -2.049 7.600 -5.248 323 H CYS 51 H CYS 51 -2.685 7.786 -0.524 324 HA CYS 51 HA CYS 51 -0.078 6.640 -0.596 325 HB2 CYS 51 2HB CYS 51 -0.753 8.368 1.045 326 HB3 CYS 51 1HB CYS 51 -1.839 7.216 1.807 327 H GLU 52 H GLU 52 -3.221 5.453 0.521 328 HA GLU 52 HA GLU 52 -2.359 2.881 1.362 329 HB2 GLU 52 2HB GLU 52 -4.482 3.863 2.096 330 HB3 GLU 52 1HB GLU 52 -5.082 3.844 0.445 331 HG2 GLU 52 2HG GLU 52 -6.067 2.040 1.685 332 HG3 GLU 52 1HG GLU 52 -4.986 1.382 0.458 333 H LEU 53 H LEU 53 -3.562 4.145 -1.724 334 HA LEU 53 HA LEU 53 -3.761 1.744 -3.149 335 HB2 LEU 53 2HB LEU 53 -4.579 3.954 -3.922 336 HB3 LEU 53 1HB LEU 53 -2.925 4.461 -4.194 337 HG LEU 53 HG LEU 53 -3.934 2.025 -5.628 338 HD11 LEU 53 1HD1 LEU 53 -5.707 3.657 -5.979 339 HD12 LEU 53 2HD1 LEU 53 -4.780 3.416 -7.460 340 HD13 LEU 53 3HD1 LEU 53 -4.523 4.863 -6.481 341 HD21 LEU 53 3HD2 LEU 53 -1.569 2.647 -5.808 342 HD22 LEU 53 1HD2 LEU 53 -2.028 4.237 -6.418 343 HD23 LEU 53 2HD2 LEU 53 -2.392 2.789 -7.359 344 H ARG 54 H ARG 54 -0.959 3.897 -2.701 345 HA ARG 54 HA ARG 54 0.939 2.442 -4.150 346 HB2 ARG 54 2HB ARG 54 1.274 4.099 -1.639 347 HB3 ARG 54 1HB ARG 54 2.618 3.484 -2.592 348 HG2 ARG 54 2HG ARG 54 0.494 5.367 -3.616 349 HG3 ARG 54 1HG ARG 54 2.100 5.843 -3.062 350 HD2 ARG 54 2HD ARG 54 1.466 4.044 -5.407 351 HD3 ARG 54 1HD ARG 54 2.056 5.706 -5.487 352 HE ARG 54 HE ARG 54 3.781 3.930 -4.018 353 HH11 ARG 54 1HH1 ARG 54 3.040 5.221 -7.132 354 HH12 ARG 54 2HH1 ARG 54 4.588 4.807 -7.782 355 HH21 ARG 54 1HH2 ARG 54 5.749 3.421 -4.867 356 HH22 ARG 54 2HH2 ARG 54 6.108 3.812 -6.514 357 H ALA 55 H ALA 55 -0.210 2.008 -0.830 358 HA ALA 55 HA ALA 55 1.613 0.015 -0.032 359 HB1 ALA 55 3HB ALA 55 0.044 -0.480 1.753 360 HB2 ALA 55 1HB ALA 55 -1.232 0.400 0.908 361 HB3 ALA 55 2HB ALA 55 0.173 1.265 1.529 362 H ALA 56 H ALA 56 -1.737 -0.328 -1.247 363 HA ALA 56 HA ALA 56 -1.783 -3.126 -1.368 364 HB1 ALA 56 3HB ALA 56 -3.706 -2.875 -2.851 365 HB2 ALA 56 1HB ALA 56 -3.308 -1.174 -3.092 366 HB3 ALA 56 2HB ALA 56 -3.798 -1.748 -1.497 367 H ARG 57 H ARG 57 -0.668 -0.750 -3.747 368 HA ARG 57 HA ARG 57 -0.184 -2.553 -5.874 369 HB2 ARG 57 2HB ARG 57 -0.212 -0.045 -6.055 370 HB3 ARG 57 1HB ARG 57 1.358 -0.019 -5.260 371 HG2 ARG 57 2HG ARG 57 2.272 -1.395 -7.114 372 HG3 ARG 57 1HG ARG 57 0.710 -1.282 -7.924 373 HD2 ARG 57 2HD ARG 57 0.970 1.218 -7.869 374 HD3 ARG 57 1HD ARG 57 2.617 0.970 -7.284 375 HE ARG 57 HE ARG 57 1.599 0.149 -9.926 376 HH11 ARG 57 1HH1 ARG 57 4.246 0.855 -7.833 377 HH12 ARG 57 2HH1 ARG 57 5.398 0.902 -9.121 378 HH21 ARG 57 1HH2 ARG 57 3.103 0.175 -11.578 379 HH22 ARG 57 2HH2 ARG 57 4.756 0.526 -11.216 380 H CYS 58 H CYS 58 2.000 -1.275 -3.358 381 HA CYS 58 HA CYS 58 4.285 -2.783 -4.062 382 HB2 CYS 58 2HB CYS 58 4.512 -0.861 -2.613 383 HB3 CYS 58 1HB CYS 58 3.460 -1.592 -1.405 384 H ARG 59 H ARG 59 1.504 -3.562 -2.071 385 HA ARG 59 HA ARG 59 2.619 -5.765 -0.698 386 HB2 ARG 59 2HB ARG 59 0.443 -4.433 -0.213 387 HB3 ARG 59 1HB ARG 59 -0.315 -5.542 -1.345 388 HG2 ARG 59 2HG ARG 59 -0.672 -6.366 0.872 389 HG3 ARG 59 1HG ARG 59 0.476 -7.438 0.064 390 HD2 ARG 59 2HD ARG 59 2.328 -6.210 1.179 391 HD3 ARG 59 1HD ARG 59 1.129 -5.259 2.055 392 HE ARG 59 HE ARG 59 0.905 -8.127 2.368 393 HH11 ARG 59 1HH1 ARG 59 2.122 -5.169 3.658 394 HH12 ARG 59 2HH1 ARG 59 2.418 -5.849 5.221 395 HH21 ARG 59 1HH2 ARG 59 1.329 -8.989 4.365 396 HH22 ARG 59 2HH2 ARG 59 2.015 -7.994 5.606 397 H GLY 60 H GLY 60 1.086 -5.497 -3.855 398 HA2 GLY 60 2HA GLY 60 2.290 -7.563 -5.104 399 HA3 GLY 60 1HA GLY 60 1.000 -8.381 -4.242 400 H HIS 61 H HIS 61 0.800 -5.173 -5.764 401 HA HIS 61 HA HIS 61 -0.870 -6.307 -7.904 402 HB2 HIS 61 2HB HIS 61 -1.678 -4.094 -6.022 403 HB3 HIS 61 1HB HIS 61 -2.409 -4.268 -7.614 404 HD1 HIS 61 HD1 HIS 61 -3.807 -6.463 -8.023 405 HD2 HIS 61 HD2 HIS 61 -2.648 -5.806 -4.089 406 HE1 HIS 61 HE1 HIS 61 -5.225 -7.997 -6.642 407 HE2 HIS 61 HE2 HIS 61 -4.666 -7.419 -4.262 408 HA PRO 62 HA PRO 62 2.249 -3.362 -9.688 409 HB2 PRO 62 2HB PRO 62 2.592 -4.784 -12.002 410 HB3 PRO 62 1HB PRO 62 3.505 -5.090 -10.521 411 HG2 PRO 62 2HG PRO 62 1.088 -6.517 -11.584 412 HG3 PRO 62 1HG PRO 62 2.562 -7.197 -10.867 413 HD2 PRO 62 2HD PRO 62 0.273 -6.951 -9.461 414 HD3 PRO 62 1HD PRO 62 1.865 -6.747 -8.702 415 H ASP 63 H ASP 63 -0.708 -4.749 -10.956 416 HA ASP 63 HA ASP 63 -0.974 -3.002 -13.208 417 HB2 ASP 63 2HB ASP 63 -2.069 -5.200 -13.120 418 HB3 ASP 63 1HB ASP 63 -3.032 -4.683 -11.743 419 H LEU 64 H LEU 64 -1.524 -2.597 -9.852 420 HA LEU 64 HA LEU 64 -3.831 -0.949 -9.960 421 HB2 LEU 64 2HB LEU 64 -3.151 -2.266 -7.987 422 HB3 LEU 64 1HB LEU 64 -1.779 -1.196 -7.763 423 HG LEU 64 HG LEU 64 -3.285 0.689 -7.332 424 HD11 LEU 64 1HD1 LEU 64 -5.157 0.006 -8.742 425 HD12 LEU 64 2HD1 LEU 64 -5.695 0.338 -7.096 426 HD13 LEU 64 3HD1 LEU 64 -5.511 -1.329 -7.644 427 HD21 LEU 64 3HD2 LEU 64 -2.535 -0.681 -5.453 428 HD22 LEU 64 1HD2 LEU 64 -3.934 -1.737 -5.654 429 HD23 LEU 64 2HD2 LEU 64 -4.159 -0.053 -5.180 430 H SER 65 H SER 65 -3.884 0.979 -10.873 431 HA SER 65 HA SER 65 -1.818 2.975 -10.213 432 HB2 SER 65 2HB SER 65 -2.088 3.931 -12.479 433 HB3 SER 65 1HB SER 65 -1.511 2.266 -12.551 434 HG SER 65 HG SER 65 -3.137 2.215 -13.956 435 H VAL 66 H VAL 66 -2.634 5.256 -10.466 436 HA VAL 66 HA VAL 66 -5.314 5.472 -9.341 437 HB VAL 66 HB VAL 66 -3.280 7.651 -9.887 438 HG11 VAL 66 1HG1 VAL 66 -5.831 7.693 -8.269 439 HG12 VAL 66 2HG1 VAL 66 -5.513 8.569 -9.765 440 HG13 VAL 66 3HG1 VAL 66 -4.631 8.986 -8.297 441 HG21 VAL 66 3HG2 VAL 66 -2.405 6.063 -8.277 442 HG22 VAL 66 1HG2 VAL 66 -3.894 6.155 -7.335 443 HG23 VAL 66 2HG2 VAL 66 -2.839 7.564 -7.458 444 H MET 67 H MET 67 -7.004 5.536 -10.715 445 HA MET 67 HA MET 67 -6.776 6.629 -13.387 446 HB2 MET 67 2HB MET 67 -9.118 5.515 -11.828 447 HB3 MET 67 1HB MET 67 -9.255 6.117 -13.475 448 HG2 MET 67 2HG MET 67 -7.482 3.846 -12.589 449 HG3 MET 67 1HG MET 67 -9.042 3.682 -13.398 450 HE1 MET 67 3HE MET 67 -6.473 2.625 -16.185 451 HE2 MET 67 1HE MET 67 -7.850 2.121 -15.203 452 HE3 MET 67 2HE MET 67 -6.270 2.349 -14.455 453 H TYR 68 H TYR 68 -8.381 7.550 -10.366 454 HA TYR 68 HA TYR 68 -8.015 10.318 -10.839 455 HB2 TYR 68 2HB TYR 68 -10.418 10.994 -10.930 456 HB3 TYR 68 1HB TYR 68 -9.878 10.143 -12.368 457 HD1 TYR 68 HD1 TYR 68 -12.041 9.964 -9.400 458 HD2 TYR 68 HD2 TYR 68 -10.740 7.934 -12.910 459 HE1 TYR 68 HE1 TYR 68 -13.923 8.398 -9.188 460 HE2 TYR 68 HE2 TYR 68 -12.619 6.366 -12.706 461 HH TYR 68 HH TYR 68 -14.142 5.518 -11.032 462 H ARG 69 H ARG 69 -8.740 11.646 -9.044 463 HA ARG 69 HA ARG 69 -8.740 10.180 -6.546 464 HB2 ARG 69 2HB ARG 69 -8.788 13.156 -7.107 465 HB3 ARG 69 1HB ARG 69 -8.652 12.444 -5.504 466 HG2 ARG 69 2HG ARG 69 -6.540 11.366 -6.176 467 HG3 ARG 69 1HG ARG 69 -6.667 12.132 -7.759 468 HD2 ARG 69 2HD ARG 69 -6.443 13.566 -5.108 469 HD3 ARG 69 1HD ARG 69 -5.143 13.353 -6.278 470 HE ARG 69 HE ARG 69 -7.551 14.999 -6.695 471 HH11 ARG 69 1HH1 ARG 69 -4.289 14.206 -7.464 472 HH12 ARG 69 2HH1 ARG 69 -4.073 15.592 -8.469 473 HH21 ARG 69 1HH2 ARG 69 -7.265 16.787 -7.972 474 HH22 ARG 69 2HH2 ARG 69 -5.745 17.045 -8.757 475 H GLY 70 H GLY 70 -10.469 9.710 -5.342 476 HA2 GLY 70 2HA GLY 70 -12.703 10.606 -4.536 477 HA3 GLY 70 1HA GLY 70 -13.098 10.715 -6.245 478 H ARG 71 H ARG 71 -14.888 9.303 -5.201 479 HA ARG 71 HA ARG 71 -14.130 6.518 -4.829 480 HB2 ARG 71 2HB ARG 71 -16.809 7.921 -4.706 481 HB3 ARG 71 1HB ARG 71 -16.588 6.198 -4.420 482 HG2 ARG 71 2HG ARG 71 -15.158 6.658 -2.519 483 HG3 ARG 71 1HG ARG 71 -15.267 8.393 -2.824 484 HD2 ARG 71 2HD ARG 71 -17.623 8.385 -2.318 485 HD3 ARG 71 1HD ARG 71 -17.631 6.625 -2.190 486 HE ARG 71 HE ARG 71 -15.849 7.280 -0.316 487 HH11 ARG 71 1HH1 ARG 71 -18.960 8.631 -0.963 488 HH12 ARG 71 2HH1 ARG 71 -19.267 8.966 0.707 489 HH21 ARG 71 1HH2 ARG 71 -16.276 7.727 1.825 490 HH22 ARG 71 2HH2 ARG 71 -17.786 8.462 2.248 491 H CYS 72 H CYS 72 -14.603 4.824 -6.205 492 HA CYS 72 HA CYS 72 -14.562 5.352 -8.958 493 HB2 CYS 72 2HB CYS 72 -15.234 2.791 -7.497 494 HB3 CYS 72 1HB CYS 72 -15.005 2.895 -9.239 495 H ARG 73 H ARG 73 -16.242 6.626 -9.643 496 HA ARG 73 HA ARG 73 -18.881 5.294 -9.818 497 HB2 ARG 73 2HB ARG 73 -18.300 8.272 -9.898 498 HB3 ARG 73 1HB ARG 73 -19.886 7.532 -10.061 499 HG2 ARG 73 2HG ARG 73 -18.126 7.523 -7.614 500 HG3 ARG 73 1HG ARG 73 -19.635 8.409 -7.838 501 HD2 ARG 73 2HD ARG 73 -20.810 6.221 -8.089 502 HD3 ARG 73 1HD ARG 73 -19.294 5.409 -7.694 503 HE ARG 73 HE ARG 73 -20.414 7.342 -5.801 504 HH11 ARG 73 1HH1 ARG 73 -19.648 4.065 -6.564 505 HH12 ARG 73 2HH1 ARG 73 -19.875 3.530 -4.937 506 HH21 ARG 73 1HH2 ARG 73 -20.697 6.628 -3.727 507 HH22 ARG 73 2HH2 ARG 73 -20.456 4.954 -3.359 508 H LYS 74 H LYS 74 -19.440 4.670 -11.839 509 HA LYS 74 HA LYS 74 -18.013 5.915 -14.118 510 HB2 LYS 74 2HB LYS 74 -17.729 3.370 -13.477 511 HB3 LYS 74 1HB LYS 74 -19.277 3.191 -14.285 512 HG2 LYS 74 2HG LYS 74 -16.860 4.432 -15.589 513 HG3 LYS 74 1HG LYS 74 -17.253 2.717 -15.691 514 HD2 LYS 74 2HD LYS 74 -19.366 3.250 -16.787 515 HD3 LYS 74 1HD LYS 74 -19.031 4.976 -16.635 516 HE2 LYS 74 2HE LYS 74 -17.106 4.766 -18.092 517 HE3 LYS 74 1HE LYS 74 -17.325 3.018 -18.175 518 HZ1 LYS 74 3HZ LYS 74 -19.389 3.323 -19.326 519 HZ2 LYS 74 1HZ LYS 74 -18.190 4.203 -20.128 520 HZ3 LYS 74 2HZ LYS 74 -19.304 5.003 -19.145 Start of MODEL 20 1 H1 SER 1 1H SER 1 9.459 -0.995 22.534 2 H2 SER 1 2H SER 1 7.956 -0.991 21.751 3 H3 SER 1 3H SER 1 8.329 0.222 22.874 4 HA SER 1 HA SER 1 8.486 1.055 20.624 5 HB2 SER 1 2HB SER 1 9.958 1.996 22.365 6 HB3 SER 1 1HB SER 1 11.191 0.795 21.977 7 HG SER 1 HG SER 1 10.890 3.154 20.886 8 H ASP 2 H ASP 2 8.475 0.244 18.625 9 HA ASP 2 HA ASP 2 9.800 -2.174 17.944 10 HB2 ASP 2 2HB ASP 2 8.422 -0.120 16.204 11 HB3 ASP 2 1HB ASP 2 9.013 -1.674 15.620 12 H SER 3 H SER 3 11.975 -1.666 18.527 13 HA SER 3 HA SER 3 13.451 0.060 16.662 14 HB2 SER 3 2HB SER 3 14.398 -1.339 19.184 15 HB3 SER 3 1HB SER 3 15.344 -0.213 18.214 16 HG SER 3 HG SER 3 13.074 1.010 18.780 17 H CYS 4 H CYS 4 14.555 -0.812 14.992 18 HA CYS 4 HA CYS 4 14.651 -3.747 14.828 19 HB2 CYS 4 2HB CYS 4 15.118 -1.717 12.634 20 HB3 CYS 4 1HB CYS 4 14.821 -3.446 12.441 21 H ASP 5 H ASP 5 16.497 -4.833 15.017 22 HA ASP 5 HA ASP 5 19.025 -3.425 15.238 23 HB2 ASP 5 2HB ASP 5 18.262 -5.294 16.778 24 HB3 ASP 5 1HB ASP 5 18.529 -6.407 15.441 25 H GLY 6 H GLY 6 20.143 -2.963 13.410 26 HA2 GLY 6 2HA GLY 6 21.331 -3.338 11.469 27 HA3 GLY 6 1HA GLY 6 20.946 -5.042 11.615 28 H VAL 7 H VAL 7 18.032 -4.576 11.568 29 HA VAL 7 HA VAL 7 17.619 -4.823 8.787 30 HB VAL 7 HB VAL 7 15.479 -4.227 10.842 31 HG11 VAL 7 1HG1 VAL 7 14.720 -4.101 8.538 32 HG12 VAL 7 2HG1 VAL 7 14.043 -5.530 9.323 33 HG13 VAL 7 3HG1 VAL 7 15.398 -5.695 8.204 34 HG21 VAL 7 3HG2 VAL 7 16.800 -6.062 11.705 35 HG22 VAL 7 1HG2 VAL 7 16.730 -6.892 10.149 36 HG23 VAL 7 2HG2 VAL 7 15.263 -6.685 11.108 37 H GLU 8 H GLU 8 17.587 -3.247 7.316 38 HA GLU 8 HA GLU 8 16.808 -0.513 8.121 39 HB2 GLU 8 2HB GLU 8 18.401 -1.442 5.715 40 HB3 GLU 8 1HB GLU 8 18.043 0.233 6.121 41 HG2 GLU 8 2HG GLU 8 19.340 0.028 8.176 42 HG3 GLU 8 1HG GLU 8 19.674 -1.664 7.805 43 H CYS 9 H CYS 9 14.673 -0.190 7.720 44 HA CYS 9 HA CYS 9 13.704 -0.699 4.995 45 HB2 CYS 9 2HB CYS 9 12.362 -1.690 7.509 46 HB3 CYS 9 1HB CYS 9 11.495 -1.498 5.988 47 H GLY 10 H GLY 10 12.157 0.696 4.243 48 HA2 GLY 10 2HA GLY 10 10.875 2.680 5.836 49 HA3 GLY 10 1HA GLY 10 12.308 3.331 5.060 50 HA PRO 11 HA PRO 11 10.144 3.756 1.179 51 HB2 PRO 11 2HB PRO 11 11.672 1.775 -0.370 52 HB3 PRO 11 1HB PRO 11 11.635 3.533 -0.529 53 HG2 PRO 11 2HG PRO 11 13.791 2.229 0.438 54 HG3 PRO 11 1HG PRO 11 13.329 3.843 1.008 55 HD2 PRO 11 2HD PRO 11 12.862 1.172 2.300 56 HD3 PRO 11 1HD PRO 11 13.379 2.704 3.038 57 H GLY 12 H GLY 12 8.199 2.720 2.042 58 HA2 GLY 12 2HA GLY 12 6.310 1.489 1.521 59 HA3 GLY 12 1HA GLY 12 7.198 0.760 0.194 60 H LYS 13 H LYS 13 8.708 0.492 3.249 61 HA LYS 13 HA LYS 13 7.461 -2.063 3.896 62 HB2 LYS 13 2HB LYS 13 10.348 -1.771 3.070 63 HB3 LYS 13 1HB LYS 13 9.836 -3.070 4.138 64 HG2 LYS 13 2HG LYS 13 8.297 -3.890 2.424 65 HG3 LYS 13 1HG LYS 13 8.781 -2.575 1.352 66 HD2 LYS 13 2HD LYS 13 10.700 -4.638 2.448 67 HD3 LYS 13 1HD LYS 13 9.886 -4.791 0.891 68 HE2 LYS 13 2HE LYS 13 10.920 -2.659 0.175 69 HE3 LYS 13 1HE LYS 13 11.781 -2.586 1.714 70 HZ1 LYS 13 3HZ LYS 13 12.067 -4.732 -0.322 71 HZ2 LYS 13 1HZ LYS 13 12.903 -4.647 1.142 72 HZ3 LYS 13 2HZ LYS 13 13.170 -3.481 -0.048 73 H ALA 14 H ALA 14 7.433 -2.471 6.034 74 HA ALA 14 HA ALA 14 8.968 -0.657 7.798 75 HB1 ALA 14 3HB ALA 14 6.228 -1.823 8.304 76 HB2 ALA 14 1HB ALA 14 6.563 -0.167 7.800 77 HB3 ALA 14 2HB ALA 14 7.115 -0.734 9.372 78 H CYS 15 H CYS 15 10.129 -1.531 9.439 79 HA CYS 15 HA CYS 15 10.041 -4.452 9.785 80 HB2 CYS 15 2HB CYS 15 12.211 -4.218 10.931 81 HB3 CYS 15 1HB CYS 15 12.258 -3.555 9.304 82 H ARG 16 H ARG 16 9.121 -5.318 11.541 83 HA ARG 16 HA ARG 16 8.503 -3.547 13.826 84 HB2 ARG 16 2HB ARG 16 6.235 -4.515 13.889 85 HB3 ARG 16 1HB ARG 16 6.555 -3.688 12.369 86 HG2 ARG 16 2HG ARG 16 7.224 -6.072 11.530 87 HG3 ARG 16 1HG ARG 16 6.265 -6.615 12.907 88 HD2 ARG 16 2HD ARG 16 5.342 -4.893 10.604 89 HD3 ARG 16 1HD ARG 16 4.877 -6.560 10.930 90 HE ARG 16 HE ARG 16 4.158 -5.050 13.149 91 HH11 ARG 16 1HH1 ARG 16 3.279 -5.408 9.838 92 HH12 ARG 16 2HH1 ARG 16 1.701 -4.732 10.073 93 HH21 ARG 16 1HH2 ARG 16 2.126 -4.229 13.447 94 HH22 ARG 16 2HH2 ARG 16 1.050 -4.096 12.099 95 H MET 17 H MET 17 7.902 -4.690 15.825 96 HA MET 17 HA MET 17 9.704 -6.875 16.348 97 HB2 MET 17 2HB MET 17 7.628 -5.547 18.108 98 HB3 MET 17 1HB MET 17 8.790 -6.740 18.666 99 HG2 MET 17 2HG MET 17 9.787 -4.259 17.343 100 HG3 MET 17 1HG MET 17 9.206 -4.177 19.003 101 HE1 MET 17 3HE MET 17 11.996 -5.384 16.585 102 HE2 MET 17 1HE MET 17 11.298 -6.947 17.004 103 HE3 MET 17 2HE MET 17 12.914 -6.526 17.567 104 H LEU 18 H LEU 18 9.110 -8.798 15.429 105 HA LEU 18 HA LEU 18 6.592 -9.987 16.398 106 HB2 LEU 18 2HB LEU 18 7.680 -10.183 13.583 107 HB3 LEU 18 1HB LEU 18 6.384 -11.187 14.205 108 HG LEU 18 HG LEU 18 6.280 -8.176 13.907 109 HD11 LEU 18 1HD1 LEU 18 4.664 -8.622 12.123 110 HD12 LEU 18 2HD1 LEU 18 4.936 -10.356 12.306 111 HD13 LEU 18 3HD1 LEU 18 6.244 -9.310 11.754 112 HD21 LEU 18 3HD2 LEU 18 4.132 -10.130 14.750 113 HD22 LEU 18 1HD2 LEU 18 3.909 -8.402 14.476 114 HD23 LEU 18 2HD2 LEU 18 4.936 -8.958 15.796 115 H GLY 19 H GLY 19 7.145 -11.617 17.696 116 HA2 GLY 19 2HA GLY 19 8.214 -13.481 18.523 117 HA3 GLY 19 1HA GLY 19 8.823 -13.765 16.899 118 H GLY 20 H GLY 20 9.372 -11.034 19.115 119 HA2 GLY 20 2HA GLY 20 11.271 -10.339 20.225 120 HA3 GLY 20 1HA GLY 20 12.044 -11.850 19.787 121 H ARG 21 H ARG 21 12.028 -11.731 17.036 122 HA ARG 21 HA ARG 21 14.100 -9.714 16.639 123 HB2 ARG 21 2HB ARG 21 13.343 -12.171 15.044 124 HB3 ARG 21 1HB ARG 21 14.631 -11.063 14.586 125 HG2 ARG 21 2HG ARG 21 15.854 -11.583 16.615 126 HG3 ARG 21 1HG ARG 21 14.532 -12.604 17.181 127 HD2 ARG 21 2HD ARG 21 16.135 -13.099 14.670 128 HD3 ARG 21 1HD ARG 21 16.424 -13.885 16.223 129 HE ARG 21 HE ARG 21 13.740 -14.263 15.499 130 HH11 ARG 21 1HH1 ARG 21 16.891 -15.265 14.507 131 HH12 ARG 21 2HH1 ARG 21 16.331 -16.793 13.934 132 HH21 ARG 21 1HH2 ARG 21 13.045 -16.218 14.747 133 HH22 ARG 21 2HH2 ARG 21 14.183 -17.325 14.057 134 HA PRO 22 HA PRO 22 11.452 -7.179 14.129 135 HB2 PRO 22 2HB PRO 22 13.331 -5.615 12.960 136 HB3 PRO 22 1HB PRO 22 12.901 -5.464 14.668 137 HG2 PRO 22 2HG PRO 22 15.224 -6.894 13.422 138 HG3 PRO 22 1HG PRO 22 15.200 -5.834 14.843 139 HD2 PRO 22 2HD PRO 22 15.216 -8.547 15.029 140 HD3 PRO 22 1HD PRO 22 14.422 -7.509 16.232 141 H ARG 23 H ARG 23 10.484 -7.596 12.237 142 HA ARG 23 HA ARG 23 12.123 -8.510 9.956 143 HB2 ARG 23 2HB ARG 23 10.464 -10.136 9.330 144 HB3 ARG 23 1HB ARG 23 10.888 -10.408 11.014 145 HG2 ARG 23 2HG ARG 23 8.842 -9.135 11.665 146 HG3 ARG 23 1HG ARG 23 8.398 -9.084 9.958 147 HD2 ARG 23 2HD ARG 23 7.222 -10.905 10.933 148 HD3 ARG 23 1HD ARG 23 8.516 -11.598 9.954 149 HE ARG 23 HE ARG 23 9.415 -11.281 12.597 150 HH11 ARG 23 1HH1 ARG 23 7.239 -13.221 10.756 151 HH12 ARG 23 2HH1 ARG 23 7.312 -14.546 11.866 152 HH21 ARG 23 1HH2 ARG 23 9.498 -12.980 14.009 153 HH22 ARG 23 2HH2 ARG 23 8.599 -14.421 13.678 154 H CYS 24 H CYS 24 11.326 -7.930 7.867 155 HA CYS 24 HA CYS 24 9.598 -5.547 7.935 156 HB2 CYS 24 2HB CYS 24 11.693 -6.413 5.939 157 HB3 CYS 24 1HB CYS 24 10.623 -5.037 5.688 158 H GLU 25 H GLU 25 7.875 -5.285 6.581 159 HA GLU 25 HA GLU 25 7.360 -7.278 4.504 160 HB2 GLU 25 2HB GLU 25 5.031 -7.581 5.177 161 HB3 GLU 25 1HB GLU 25 6.124 -8.098 6.449 162 HG2 GLU 25 2HG GLU 25 5.725 -5.964 7.624 163 HG3 GLU 25 1HG GLU 25 4.569 -5.517 6.369 164 H CYS 26 H CYS 26 5.644 -6.565 2.981 165 HA CYS 26 HA CYS 26 6.131 -3.909 2.135 166 HB2 CYS 26 2HB CYS 26 5.450 -5.861 0.660 167 HB3 CYS 26 1HB CYS 26 3.803 -5.614 1.225 168 H ALA 27 H ALA 27 5.613 -2.645 3.968 169 HA ALA 27 HA ALA 27 2.725 -2.097 4.272 170 HB1 ALA 27 3HB ALA 27 3.730 -2.977 6.341 171 HB2 ALA 27 1HB ALA 27 3.190 -1.308 6.536 172 HB3 ALA 27 2HB ALA 27 4.905 -1.662 6.324 173 HA PRO 28 HA PRO 28 4.053 1.567 2.157 174 HB2 PRO 28 2HB PRO 28 1.665 2.843 2.016 175 HB3 PRO 28 1HB PRO 28 2.060 1.431 1.027 176 HG2 PRO 28 2HG PRO 28 0.463 1.586 3.561 177 HG3 PRO 28 1HG PRO 28 0.123 0.671 2.079 178 HD2 PRO 28 2HD PRO 28 1.212 -0.469 4.299 179 HD3 PRO 28 1HD PRO 28 1.561 -1.038 2.654 180 H ASP 29 H ASP 29 5.418 2.573 3.729 181 HA ASP 29 HA ASP 29 4.505 4.368 5.697 182 HB2 ASP 29 2HB ASP 29 6.978 4.515 3.943 183 HB3 ASP 29 1HB ASP 29 6.705 5.501 5.379 184 H CYS 30 H CYS 30 2.876 5.764 5.181 185 HA CYS 30 HA CYS 30 3.165 7.340 2.699 186 HB2 CYS 30 2HB CYS 30 0.620 7.319 2.617 187 HB3 CYS 30 1HB CYS 30 1.431 5.808 2.228 188 H SER 31 H SER 31 4.051 9.117 3.741 189 HA SER 31 HA SER 31 2.207 10.631 5.486 190 HB2 SER 31 2HB SER 31 5.186 10.978 5.022 191 HB3 SER 31 1HB SER 31 4.198 12.063 5.999 192 HG SER 31 HG SER 31 4.615 10.734 7.555 193 H GLY 32 H GLY 32 2.255 13.070 5.109 194 HA2 GLY 32 2HA GLY 32 2.038 14.910 3.718 195 HA3 GLY 32 1HA GLY 32 2.864 14.012 2.454 196 H LEU 33 H LEU 33 1.351 11.989 1.760 197 HA LEU 33 HA LEU 33 -1.054 13.090 0.663 198 HB2 LEU 33 2HB LEU 33 -1.401 10.862 -0.293 199 HB3 LEU 33 1HB LEU 33 0.235 11.424 -0.561 200 HG LEU 33 HG LEU 33 0.727 9.987 1.625 201 HD11 LEU 33 1HD1 LEU 33 -1.721 8.647 0.474 202 HD12 LEU 33 2HD1 LEU 33 -1.567 9.360 2.080 203 HD13 LEU 33 3HD1 LEU 33 -0.626 7.932 1.658 204 HD21 LEU 33 3HD2 LEU 33 0.339 8.764 -1.108 205 HD22 LEU 33 1HD2 LEU 33 1.345 8.110 0.188 206 HD23 LEU 33 2HD2 LEU 33 1.762 9.651 -0.565 207 HA PRO 34 HA PRO 34 -3.752 12.274 4.036 208 HB2 PRO 34 2HB PRO 34 -6.163 12.138 2.810 209 HB3 PRO 34 1HB PRO 34 -5.251 13.645 2.953 210 HG2 PRO 34 2HG PRO 34 -5.465 11.773 0.618 211 HG3 PRO 34 1HG PRO 34 -5.530 13.545 0.633 212 HD2 PRO 34 2HD PRO 34 -3.292 12.147 -0.042 213 HD3 PRO 34 1HD PRO 34 -3.235 13.750 0.720 214 H ALA 35 H ALA 35 -3.780 10.404 5.159 215 HA ALA 35 HA ALA 35 -4.271 7.853 3.847 216 HB1 ALA 35 3HB ALA 35 -3.613 8.481 6.728 217 HB2 ALA 35 1HB ALA 35 -2.462 8.028 5.469 218 HB3 ALA 35 2HB ALA 35 -3.674 6.870 6.013 219 H ARG 36 H ARG 36 -6.408 10.030 4.548 220 HA ARG 36 HA ARG 36 -8.415 8.085 5.481 221 HB2 ARG 36 2HB ARG 36 -8.144 10.947 6.428 222 HB3 ARG 36 1HB ARG 36 -9.534 9.920 6.757 223 HG2 ARG 36 2HG ARG 36 -8.047 8.351 7.960 224 HG3 ARG 36 1HG ARG 36 -6.703 9.464 7.696 225 HD2 ARG 36 2HD ARG 36 -7.735 9.689 9.939 226 HD3 ARG 36 1HD ARG 36 -7.803 11.177 8.994 227 HE ARG 36 HE ARG 36 -10.167 9.611 8.689 228 HH11 ARG 36 1HH1 ARG 36 -8.590 11.791 10.833 229 HH12 ARG 36 2HH1 ARG 36 -10.072 12.382 11.495 230 HH21 ARG 36 1HH2 ARG 36 -12.064 10.377 9.541 231 HH22 ARG 36 2HH2 ARG 36 -12.023 11.585 10.778 232 H LEU 37 H LEU 37 -7.568 9.525 2.838 233 HA LEU 37 HA LEU 37 -10.263 10.529 2.146 234 HB2 LEU 37 2HB LEU 37 -8.297 12.209 2.243 235 HB3 LEU 37 1HB LEU 37 -7.733 11.438 0.777 236 HG LEU 37 HG LEU 37 -9.005 13.569 0.430 237 HD11 LEU 37 1HD1 LEU 37 -8.788 11.944 -1.385 238 HD12 LEU 37 2HD1 LEU 37 -10.332 12.788 -1.450 239 HD13 LEU 37 3HD1 LEU 37 -10.260 11.135 -0.840 240 HD21 LEU 37 3HD2 LEU 37 -10.654 13.321 2.194 241 HD22 LEU 37 1HD2 LEU 37 -11.355 11.925 1.375 242 HD23 LEU 37 2HD2 LEU 37 -11.446 13.521 0.632 243 H GLN 38 H GLN 38 -11.213 9.751 0.321 244 HA GLN 38 HA GLN 38 -10.431 7.211 -0.618 245 HB2 GLN 38 2HB GLN 38 -12.416 9.101 -1.903 246 HB3 GLN 38 1HB GLN 38 -12.354 7.352 -2.087 247 HG2 GLN 38 2HG GLN 38 -12.867 7.104 0.311 248 HG3 GLN 38 1HG GLN 38 -12.996 8.858 0.449 249 HE21 GLN 38 1HE2 GLN 38 -14.752 9.911 -0.567 250 HE22 GLN 38 2HE2 GLN 38 -16.173 9.040 -1.029 251 H VAL 39 H VAL 39 -9.427 6.516 -2.457 252 HA VAL 39 HA VAL 39 -8.488 8.549 -4.384 253 HB VAL 39 HB VAL 39 -6.340 7.373 -4.590 254 HG11 VAL 39 1HG1 VAL 39 -5.359 8.055 -2.442 255 HG12 VAL 39 2HG1 VAL 39 -6.977 8.196 -1.753 256 HG13 VAL 39 3HG1 VAL 39 -6.480 9.265 -3.066 257 HG21 VAL 39 3HG2 VAL 39 -7.321 5.676 -2.287 258 HG22 VAL 39 1HG2 VAL 39 -5.693 5.646 -2.967 259 HG23 VAL 39 2HG2 VAL 39 -7.067 5.131 -3.944 260 H CYS 40 H CYS 40 -8.077 7.803 -6.512 261 HA CYS 40 HA CYS 40 -9.756 5.502 -7.259 262 HB2 CYS 40 2HB CYS 40 -10.330 7.683 -8.259 263 HB3 CYS 40 1HB CYS 40 -8.720 7.785 -8.965 264 H GLY 41 H GLY 41 -8.894 3.684 -8.090 265 HA2 GLY 41 2HA GLY 41 -6.013 3.631 -8.698 266 HA3 GLY 41 1HA GLY 41 -7.025 2.234 -8.376 267 H SER 42 H SER 42 -5.182 2.631 -10.593 268 HA SER 42 HA SER 42 -6.390 3.348 -13.003 269 HB2 SER 42 2HB SER 42 -3.979 2.982 -12.814 270 HB3 SER 42 1HB SER 42 -4.242 1.263 -12.533 271 HG SER 42 HG SER 42 -3.732 1.565 -14.690 272 H ASP 43 H ASP 43 -6.588 0.330 -11.218 273 HA ASP 43 HA ASP 43 -7.741 -1.289 -13.211 274 HB2 ASP 43 2HB ASP 43 -6.809 -2.214 -11.164 275 HB3 ASP 43 1HB ASP 43 -8.015 -1.374 -10.196 276 H GLY 44 H GLY 44 -9.092 1.353 -11.462 277 HA2 GLY 44 2HA GLY 44 -11.196 2.330 -12.002 278 HA3 GLY 44 1HA GLY 44 -11.764 0.758 -12.543 279 H ALA 45 H ALA 45 -10.074 0.936 -9.544 280 HA ALA 45 HA ALA 45 -12.607 0.587 -8.067 281 HB1 ALA 45 3HB ALA 45 -11.386 -0.854 -6.515 282 HB2 ALA 45 1HB ALA 45 -9.910 -0.625 -7.450 283 HB3 ALA 45 2HB ALA 45 -11.285 -1.468 -8.165 284 H THR 46 H THR 46 -12.987 1.866 -6.334 285 HA THR 46 HA THR 46 -11.001 3.916 -5.662 286 HB THR 46 HB THR 46 -13.877 3.675 -4.736 287 HG1 THR 46 HG1 THR 46 -13.970 4.089 -6.889 288 HG21 THR 46 3HG2 THR 46 -11.922 5.983 -4.582 289 HG22 THR 46 1HG2 THR 46 -12.519 5.032 -3.220 290 HG23 THR 46 2HG2 THR 46 -13.626 6.056 -4.133 291 H TYR 47 H TYR 47 -9.831 3.886 -3.837 292 HA TYR 47 HA TYR 47 -10.545 1.926 -1.746 293 HB2 TYR 47 2HB TYR 47 -7.864 3.115 -2.501 294 HB3 TYR 47 1HB TYR 47 -8.120 2.103 -1.081 295 HD1 TYR 47 HD1 TYR 47 -8.582 -0.294 -1.316 296 HD2 TYR 47 HD2 TYR 47 -7.899 2.150 -4.747 297 HE1 TYR 47 HE1 TYR 47 -8.306 -2.309 -2.694 298 HE2 TYR 47 HE2 TYR 47 -7.619 0.132 -6.127 299 HH TYR 47 HH TYR 47 -7.036 -2.244 -5.831 300 H ARG 48 H ARG 48 -10.152 2.519 0.505 301 HA ARG 48 HA ARG 48 -11.456 4.981 1.095 302 HB2 ARG 48 2HB ARG 48 -9.982 3.257 3.092 303 HB3 ARG 48 1HB ARG 48 -11.364 4.304 3.386 304 HG2 ARG 48 2HG ARG 48 -11.380 1.765 1.757 305 HG3 ARG 48 1HG ARG 48 -11.994 1.947 3.399 306 HD2 ARG 48 2HD ARG 48 -13.749 3.380 2.670 307 HD3 ARG 48 1HD ARG 48 -13.045 3.536 1.061 308 HE ARG 48 HE ARG 48 -13.483 0.898 1.211 309 HH11 ARG 48 1HH1 ARG 48 -15.544 3.551 2.005 310 HH12 ARG 48 2HH1 ARG 48 -16.978 2.718 1.519 311 HH21 ARG 48 1HH2 ARG 48 -15.325 -0.139 0.570 312 HH22 ARG 48 2HH2 ARG 48 -16.854 0.654 0.714 313 H ASP 49 H ASP 49 -8.159 4.125 0.772 314 HA ASP 49 HA ASP 49 -7.293 6.835 0.943 315 HB2 ASP 49 2HB ASP 49 -5.586 6.417 2.763 316 HB3 ASP 49 1HB ASP 49 -7.254 6.494 3.317 317 H GLU 50 H GLU 50 -5.028 7.076 0.232 318 HA GLU 50 HA GLU 50 -4.412 5.298 -1.854 319 HB2 GLU 50 2HB GLU 50 -3.646 7.717 -1.623 320 HB3 GLU 50 1HB GLU 50 -2.378 7.123 -0.557 321 HG2 GLU 50 2HG GLU 50 -1.599 5.643 -2.399 322 HG3 GLU 50 1HG GLU 50 -2.806 6.379 -3.449 323 H CYS 51 H CYS 51 -3.295 5.405 1.472 324 HA CYS 51 HA CYS 51 -1.180 3.571 1.323 325 HB2 CYS 51 2HB CYS 51 -3.073 3.802 3.672 326 HB3 CYS 51 1HB CYS 51 -1.367 3.366 3.696 327 H GLU 52 H GLU 52 -4.670 3.051 1.656 328 HA GLU 52 HA GLU 52 -4.617 0.237 1.951 329 HB2 GLU 52 2HB GLU 52 -6.606 1.579 2.477 330 HB3 GLU 52 1HB GLU 52 -6.773 2.019 0.782 331 HG2 GLU 52 2HG GLU 52 -7.256 -0.273 0.189 332 HG3 GLU 52 1HG GLU 52 -6.964 -0.793 1.847 333 H LEU 53 H LEU 53 -4.797 2.329 -0.908 334 HA LEU 53 HA LEU 53 -5.056 0.362 -2.891 335 HB2 LEU 53 2HB LEU 53 -5.282 2.831 -3.203 336 HB3 LEU 53 1HB LEU 53 -3.544 2.984 -3.069 337 HG LEU 53 HG LEU 53 -4.782 1.280 -5.231 338 HD11 LEU 53 1HD1 LEU 53 -5.823 3.475 -5.412 339 HD12 LEU 53 2HD1 LEU 53 -4.684 3.217 -6.731 340 HD13 LEU 53 3HD1 LEU 53 -4.239 4.248 -5.369 341 HD21 LEU 53 3HD2 LEU 53 -2.383 1.022 -4.887 342 HD22 LEU 53 1HD2 LEU 53 -2.154 2.767 -5.022 343 HD23 LEU 53 2HD2 LEU 53 -2.695 1.836 -6.420 344 H ARG 54 H ARG 54 -2.112 1.796 -1.478 345 HA ARG 54 HA ARG 54 -0.258 0.220 -2.923 346 HB2 ARG 54 2HB ARG 54 -0.099 1.805 -0.372 347 HB3 ARG 54 1HB ARG 54 1.257 0.809 -0.873 348 HG2 ARG 54 2HG ARG 54 1.466 3.193 -1.518 349 HG3 ARG 54 1HG ARG 54 1.543 2.082 -2.886 350 HD2 ARG 54 2HD ARG 54 -0.697 2.619 -3.536 351 HD3 ARG 54 1HD ARG 54 -0.969 3.521 -2.048 352 HE ARG 54 HE ARG 54 0.250 5.304 -2.909 353 HH11 ARG 54 1HH1 ARG 54 0.329 2.646 -5.101 354 HH12 ARG 54 2HH1 ARG 54 0.807 3.628 -6.436 355 HH21 ARG 54 1HH2 ARG 54 0.831 6.549 -4.610 356 HH22 ARG 54 2HH2 ARG 54 1.113 5.823 -6.161 357 H ALA 55 H ALA 55 -1.847 -0.291 0.214 358 HA ALA 55 HA ALA 55 -0.490 -2.642 0.963 359 HB1 ALA 55 3HB ALA 55 -1.856 -1.351 2.522 360 HB2 ALA 55 1HB ALA 55 -2.369 -3.037 2.478 361 HB3 ALA 55 2HB ALA 55 -3.312 -1.806 1.636 362 H ALA 56 H ALA 56 -3.505 -2.202 -0.884 363 HA ALA 56 HA ALA 56 -4.068 -4.911 -1.370 364 HB1 ALA 56 3HB ALA 56 -4.683 -2.495 -3.077 365 HB2 ALA 56 1HB ALA 56 -5.692 -3.155 -1.791 366 HB3 ALA 56 2HB ALA 56 -5.417 -4.090 -3.262 367 H ARG 57 H ARG 57 -1.972 -2.618 -3.036 368 HA ARG 57 HA ARG 57 -1.178 -4.318 -5.152 369 HB2 ARG 57 2HB ARG 57 -0.797 -1.903 -5.199 370 HB3 ARG 57 1HB ARG 57 0.299 -2.023 -3.832 371 HG2 ARG 57 2HG ARG 57 0.974 -3.647 -6.225 372 HG3 ARG 57 1HG ARG 57 1.124 -1.898 -6.383 373 HD2 ARG 57 2HD ARG 57 2.643 -1.816 -4.495 374 HD3 ARG 57 1HD ARG 57 2.418 -3.540 -4.204 375 HE ARG 57 HE ARG 57 3.943 -3.972 -5.844 376 HH11 ARG 57 1HH1 ARG 57 2.818 -0.743 -6.288 377 HH12 ARG 57 2HH1 ARG 57 4.039 -0.367 -7.451 378 HH21 ARG 57 1HH2 ARG 57 5.492 -3.478 -7.346 379 HH22 ARG 57 2HH2 ARG 57 5.535 -1.898 -8.044 380 H CYS 58 H CYS 58 0.135 -3.806 -1.882 381 HA CYS 58 HA CYS 58 2.326 -5.582 -2.069 382 HB2 CYS 58 2HB CYS 58 0.703 -4.785 0.360 383 HB3 CYS 58 1HB CYS 58 2.232 -5.655 0.421 384 H ARG 59 H ARG 59 -1.080 -6.166 -1.563 385 HA ARG 59 HA ARG 59 -0.940 -8.761 -0.458 386 HB2 ARG 59 2HB ARG 59 -2.987 -7.271 -0.600 387 HB3 ARG 59 1HB ARG 59 -3.115 -7.730 -2.293 388 HG2 ARG 59 2HG ARG 59 -3.306 -10.111 -1.570 389 HG3 ARG 59 1HG ARG 59 -3.337 -9.551 0.103 390 HD2 ARG 59 2HD ARG 59 -5.322 -8.115 -0.557 391 HD3 ARG 59 1HD ARG 59 -5.353 -9.015 -2.074 392 HE ARG 59 HE ARG 59 -5.597 -10.360 0.534 393 HH11 ARG 59 1HH1 ARG 59 -6.701 -9.844 -2.688 394 HH12 ARG 59 2HH1 ARG 59 -8.016 -10.954 -2.526 395 HH21 ARG 59 1HH2 ARG 59 -7.295 -11.773 0.723 396 HH22 ARG 59 2HH2 ARG 59 -8.352 -12.020 -0.622 397 H GLY 60 H GLY 60 -0.776 -7.614 -3.777 398 HA2 GLY 60 2HA GLY 60 0.740 -9.404 -4.989 399 HA3 GLY 60 1HA GLY 60 -0.732 -10.350 -4.832 400 H HIS 61 H HIS 61 -0.597 -6.876 -5.495 401 HA HIS 61 HA HIS 61 -1.515 -7.410 -8.251 402 HB2 HIS 61 2HB HIS 61 -2.687 -5.402 -6.312 403 HB3 HIS 61 1HB HIS 61 -3.032 -5.410 -8.037 404 HD1 HIS 61 HD1 HIS 61 -4.502 -7.381 -8.942 405 HD2 HIS 61 HD2 HIS 61 -4.071 -7.283 -4.806 406 HE1 HIS 61 HE1 HIS 61 -6.288 -8.889 -8.041 407 HE2 HIS 61 HE2 HIS 61 -6.040 -8.794 -5.544 408 HA PRO 62 HA PRO 62 2.135 -4.496 -8.354 409 HB2 PRO 62 2HB PRO 62 2.603 -5.978 -10.885 410 HB3 PRO 62 1HB PRO 62 3.728 -5.610 -9.572 411 HG2 PRO 62 2HG PRO 62 2.800 -8.096 -9.936 412 HG3 PRO 62 1HG PRO 62 3.056 -7.442 -8.305 413 HD2 PRO 62 2HD PRO 62 0.497 -7.738 -9.852 414 HD3 PRO 62 1HD PRO 62 0.821 -8.071 -8.134 415 H ASP 63 H ASP 63 -0.256 -5.485 -10.727 416 HA ASP 63 HA ASP 63 0.042 -3.388 -12.587 417 HB2 ASP 63 2HB ASP 63 -2.477 -4.919 -11.881 418 HB3 ASP 63 1HB ASP 63 -2.175 -4.044 -13.380 419 H LEU 64 H LEU 64 -1.346 -3.411 -9.416 420 HA LEU 64 HA LEU 64 -3.312 -1.388 -9.874 421 HB2 LEU 64 2HB LEU 64 -3.516 -3.080 -8.091 422 HB3 LEU 64 1HB LEU 64 -2.163 -2.342 -7.253 423 HG LEU 64 HG LEU 64 -3.451 -0.284 -6.928 424 HD11 LEU 64 1HD1 LEU 64 -5.831 -0.181 -7.522 425 HD12 LEU 64 2HD1 LEU 64 -5.685 -1.730 -8.357 426 HD13 LEU 64 3HD1 LEU 64 -4.799 -0.321 -8.947 427 HD21 LEU 64 3HD2 LEU 64 -3.598 -2.044 -5.239 428 HD22 LEU 64 1HD2 LEU 64 -4.985 -2.739 -6.078 429 HD23 LEU 64 2HD2 LEU 64 -5.104 -1.135 -5.354 430 H SER 65 H SER 65 -2.823 0.604 -10.353 431 HA SER 65 HA SER 65 -0.763 2.022 -8.777 432 HB2 SER 65 2HB SER 65 -1.352 2.388 -11.735 433 HB3 SER 65 1HB SER 65 -0.235 3.372 -10.790 434 HG SER 65 HG SER 65 0.079 0.837 -11.827 435 H VAL 66 H VAL 66 -1.127 4.408 -8.684 436 HA VAL 66 HA VAL 66 -3.962 4.915 -8.227 437 HB VAL 66 HB VAL 66 -2.345 5.513 -6.473 438 HG11 VAL 66 1HG1 VAL 66 -0.441 6.115 -7.875 439 HG12 VAL 66 2HG1 VAL 66 -0.827 7.409 -6.740 440 HG13 VAL 66 3HG1 VAL 66 -1.293 7.556 -8.436 441 HG21 VAL 66 3HG2 VAL 66 -3.756 7.905 -7.674 442 HG22 VAL 66 1HG2 VAL 66 -3.180 7.775 -6.009 443 HG23 VAL 66 2HG2 VAL 66 -4.465 6.713 -6.584 444 H MET 67 H MET 67 -5.236 6.225 -9.418 445 HA MET 67 HA MET 67 -4.132 7.573 -11.760 446 HB2 MET 67 2HB MET 67 -6.926 6.966 -10.817 447 HB3 MET 67 1HB MET 67 -6.649 8.133 -12.103 448 HG2 MET 67 2HG MET 67 -5.758 5.252 -12.157 449 HG3 MET 67 1HG MET 67 -7.201 5.893 -12.944 450 HE1 MET 67 3HE MET 67 -5.126 4.244 -14.637 451 HE2 MET 67 1HE MET 67 -4.968 5.269 -16.062 452 HE3 MET 67 2HE MET 67 -6.549 5.028 -15.321 453 H TYR 68 H TYR 68 -6.315 8.495 -9.076 454 HA TYR 68 HA TYR 68 -4.949 10.956 -8.617 455 HB2 TYR 68 2HB TYR 68 -6.843 12.469 -9.232 456 HB3 TYR 68 1HB TYR 68 -6.066 11.709 -10.612 457 HD1 TYR 68 HD1 TYR 68 -9.107 11.688 -8.497 458 HD2 TYR 68 HD2 TYR 68 -7.298 10.255 -12.078 459 HE1 TYR 68 HE1 TYR 68 -11.298 10.890 -9.282 460 HE2 TYR 68 HE2 TYR 68 -9.486 9.455 -12.862 461 HH TYR 68 HH TYR 68 -11.637 8.826 -12.000 462 H ARG 69 H ARG 69 -6.024 12.313 -6.976 463 HA ARG 69 HA ARG 69 -7.138 10.716 -4.865 464 HB2 ARG 69 2HB ARG 69 -6.707 13.708 -5.080 465 HB3 ARG 69 1HB ARG 69 -7.146 12.855 -3.604 466 HG2 ARG 69 2HG ARG 69 -5.063 11.791 -3.457 467 HG3 ARG 69 1HG ARG 69 -4.664 12.147 -5.138 468 HD2 ARG 69 2HD ARG 69 -3.372 13.572 -3.679 469 HD3 ARG 69 1HD ARG 69 -4.534 14.542 -4.579 470 HE ARG 69 HE ARG 69 -5.538 13.787 -2.019 471 HH11 ARG 69 1HH1 ARG 69 -3.529 16.036 -3.681 472 HH12 ARG 69 2HH1 ARG 69 -3.608 17.216 -2.420 473 HH21 ARG 69 1HH2 ARG 69 -5.631 15.321 -0.392 474 HH22 ARG 69 2HH2 ARG 69 -4.770 16.807 -0.577 475 H GLY 70 H GLY 70 -9.221 10.149 -4.781 476 HA2 GLY 70 2HA GLY 70 -11.523 11.312 -4.547 477 HA3 GLY 70 1HA GLY 70 -11.221 11.776 -6.216 478 H ARG 71 H ARG 71 -13.471 10.261 -5.477 479 HA ARG 71 HA ARG 71 -12.994 7.459 -5.798 480 HB2 ARG 71 2HB ARG 71 -14.921 8.155 -4.555 481 HB3 ARG 71 1HB ARG 71 -15.528 9.098 -5.910 482 HG2 ARG 71 2HG ARG 71 -15.991 7.102 -7.171 483 HG3 ARG 71 1HG ARG 71 -15.215 6.098 -5.947 484 HD2 ARG 71 2HD ARG 71 -16.935 6.598 -4.353 485 HD3 ARG 71 1HD ARG 71 -17.650 7.802 -5.426 486 HE ARG 71 HE ARG 71 -18.069 5.841 -6.964 487 HH11 ARG 71 1HH1 ARG 71 -17.900 5.441 -3.546 488 HH12 ARG 71 2HH1 ARG 71 -18.964 4.078 -3.548 489 HH21 ARG 71 1HH2 ARG 71 -19.416 4.097 -6.954 490 HH22 ARG 71 2HH2 ARG 71 -19.799 3.315 -5.460 491 H CYS 72 H CYS 72 -13.000 6.187 -7.553 492 HA CYS 72 HA CYS 72 -12.623 7.170 -10.142 493 HB2 CYS 72 2HB CYS 72 -13.532 4.411 -9.277 494 HB3 CYS 72 1HB CYS 72 -12.990 4.816 -10.901 495 H ARG 73 H ARG 73 -14.195 8.498 -10.971 496 HA ARG 73 HA ARG 73 -16.890 7.340 -11.318 497 HB2 ARG 73 2HB ARG 73 -17.671 9.635 -11.751 498 HB3 ARG 73 1HB ARG 73 -16.923 9.490 -10.167 499 HG2 ARG 73 2HG ARG 73 -14.920 10.570 -10.944 500 HG3 ARG 73 1HG ARG 73 -15.512 10.567 -12.606 501 HD2 ARG 73 2HD ARG 73 -17.344 12.062 -11.956 502 HD3 ARG 73 1HD ARG 73 -16.762 12.054 -10.290 503 HE ARG 73 HE ARG 73 -14.618 12.990 -11.425 504 HH11 ARG 73 1HH1 ARG 73 -17.861 13.715 -12.319 505 HH12 ARG 73 2HH1 ARG 73 -17.470 15.305 -12.866 506 HH21 ARG 73 1HH2 ARG 73 -14.130 15.034 -12.121 507 HH22 ARG 73 2HH2 ARG 73 -15.379 16.035 -12.775 508 H LYS 74 H LYS 74 -17.659 6.924 -13.335 509 HA LYS 74 HA LYS 74 -15.967 7.676 -15.632 510 HB2 LYS 74 2HB LYS 74 -16.387 5.257 -15.328 511 HB3 LYS 74 1HB LYS 74 -18.116 5.548 -15.462 512 HG2 LYS 74 2HG LYS 74 -17.877 6.246 -17.758 513 HG3 LYS 74 1HG LYS 74 -16.120 6.157 -17.645 514 HD2 LYS 74 2HD LYS 74 -16.996 4.201 -18.801 515 HD3 LYS 74 1HD LYS 74 -16.281 3.727 -17.258 516 HE2 LYS 74 2HE LYS 74 -18.530 3.649 -16.259 517 HE3 LYS 74 1HE LYS 74 -19.227 4.101 -17.816 518 HZ1 LYS 74 3HZ LYS 74 -19.340 1.717 -17.446 519 HZ2 LYS 74 1HZ LYS 74 -17.659 1.638 -17.285 520 HZ3 LYS 74 2HZ LYS 74 -18.344 2.071 -18.765
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