NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560360 | 2rsq | 11502 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 9 H GLY 9 -10.463 5.588 14.712 2 HA2 GLY 9 HA2 GLY 9 -8.891 3.339 14.335 3 HA3 GLY 9 HA3 GLY 9 -9.359 3.872 12.705 4 H THR 10 H THR 10 -6.761 4.075 14.436 5 HA THR 10 HA THR 10 -6.303 6.998 14.094 6 HB THR 10 HB THR 10 -6.298 6.263 16.424 7 HG1 THR 10 HG1 THR 10 -4.752 7.615 16.869 8 HG21 THR 10 HG21 THR 10 -3.615 4.961 15.739 9 HG22 THR 10 HG22 THR 10 -5.097 4.066 16.099 10 HG23 THR 10 HG23 THR 10 -4.363 5.098 17.339 11 H LEU 11 H LEU 11 -4.291 7.671 13.533 12 HA LEU 11 HA LEU 11 -3.381 6.392 11.160 13 HB2 LEU 11 HB2 LEU 11 -3.370 8.954 12.074 14 HB3 LEU 11 HB3 LEU 11 -1.724 8.486 12.489 15 HG LEU 11 HG LEU 11 -1.838 9.741 10.439 16 HD11 LEU 11 HD11 LEU 11 -0.069 7.989 10.703 17 HD12 LEU 11 HD12 LEU 11 -0.458 8.474 9.052 18 HD13 LEU 11 HD13 LEU 11 -1.060 6.918 9.670 19 HD21 LEU 11 HD21 LEU 11 -3.998 9.178 9.557 20 HD22 LEU 11 HD22 LEU 11 -3.555 7.473 9.372 21 HD23 LEU 11 HD23 LEU 11 -2.785 8.681 8.359 22 H CYS 12 H CYS 12 -1.797 5.132 10.726 23 HA CYS 12 HA CYS 12 0.565 4.601 12.368 24 HB2 CYS 12 HB2 CYS 12 -1.691 2.586 12.029 25 HB3 CYS 12 HB3 CYS 12 -0.012 2.039 12.166 26 HG CYS 12 HG CYS 12 -1.352 4.226 14.236 27 H THR 13 H THR 13 2.141 3.320 11.176 28 HA THR 13 HA THR 13 1.809 3.454 8.201 29 HB THR 13 HB THR 13 4.258 2.830 9.887 30 HG1 THR 13 HG1 THR 13 4.868 4.913 9.014 31 HG21 THR 13 HG21 THR 13 4.368 1.817 7.611 32 HG22 THR 13 HG22 THR 13 5.486 3.174 7.797 33 HG23 THR 13 HG23 THR 13 3.964 3.403 6.903 34 H LEU 14 H LEU 14 0.965 1.729 7.252 35 HA LEU 14 HA LEU 14 1.432 -1.048 8.272 36 HB2 LEU 14 HB2 LEU 14 -0.454 0.269 6.327 37 HB3 LEU 14 HB3 LEU 14 -0.051 -1.433 6.151 38 HG LEU 14 HG LEU 14 -1.036 -2.079 8.159 39 HD11 LEU 14 HD11 LEU 14 -1.951 -0.677 9.869 40 HD12 LEU 14 HD12 LEU 14 -1.435 0.806 9.011 41 HD13 LEU 14 HD13 LEU 14 -0.238 -0.321 9.685 42 HD21 LEU 14 HD21 LEU 14 -3.347 -1.180 8.024 43 HD22 LEU 14 HD22 LEU 14 -2.690 -1.496 6.413 44 HD23 LEU 14 HD23 LEU 14 -2.767 0.167 7.032 45 H GLU 15 H GLU 15 3.038 -2.257 7.484 46 HA GLU 15 HA GLU 15 4.516 -1.369 5.038 47 HB2 GLU 15 HB2 GLU 15 5.407 -2.976 7.472 48 HB3 GLU 15 HB3 GLU 15 6.394 -2.676 6.036 49 HG2 GLU 15 HG2 GLU 15 6.173 -0.241 6.398 50 HG3 GLU 15 HG3 GLU 15 5.285 -0.534 7.897 51 H PHE 16 H PHE 16 3.406 -2.401 3.406 52 HA PHE 16 HA PHE 16 2.838 -5.333 3.665 53 HB2 PHE 16 HB2 PHE 16 1.867 -3.245 1.678 54 HB3 PHE 16 HB3 PHE 16 1.581 -4.967 1.510 55 HD1 PHE 16 HD2 PHE 16 0.642 -2.016 3.490 56 HD2 PHE 16 HD1 PHE 16 -0.008 -6.204 2.719 57 HE1 PHE 16 HE2 PHE 16 -1.592 -1.862 4.549 58 HE2 PHE 16 HE1 PHE 16 -2.267 -6.053 3.789 59 HZ PHE 16 HZ PHE 16 -3.062 -3.884 4.668 60 H ALA 17 H ALA 17 3.484 -6.836 2.291 61 HA ALA 17 HA ALA 17 5.620 -6.250 0.271 62 HB1 ALA 17 HB1 ALA 17 4.656 -8.873 1.492 63 HB2 ALA 17 HB2 ALA 17 5.958 -8.703 0.298 64 HB3 ALA 17 HB3 ALA 17 6.148 -7.992 1.912 65 H VAL 18 H VAL 18 5.197 -6.445 -1.937 66 HA VAL 18 HA VAL 18 2.576 -7.577 -2.844 67 HB VAL 18 HB VAL 18 2.285 -5.587 -4.313 68 HG11 VAL 18 HG11 VAL 18 0.955 -5.765 -2.276 69 HG12 VAL 18 HG12 VAL 18 2.229 -4.958 -1.334 70 HG13 VAL 18 HG13 VAL 18 1.365 -4.091 -2.621 71 HG21 VAL 18 HG21 VAL 18 4.606 -4.780 -4.239 72 HG22 VAL 18 HG22 VAL 18 3.404 -3.548 -3.788 73 HG23 VAL 18 HG23 VAL 18 4.380 -4.339 -2.532 74 H GLN 19 H GLN 19 2.305 -7.823 -5.081 75 HA GLN 19 HA GLN 19 4.711 -8.860 -6.448 76 HB2 GLN 19 HB2 GLN 19 2.766 -10.255 -6.120 77 HB3 GLN 19 HB3 GLN 19 1.713 -9.042 -6.812 78 HG2 GLN 19 HG2 GLN 19 2.966 -9.423 -9.045 79 HG3 GLN 19 HG3 GLN 19 3.666 -10.847 -8.261 80 HE21 GLN 19 HE21 GLN 19 2.166 -12.607 -7.631 81 HE22 GLN 19 HE22 GLN 19 0.488 -12.594 -8.225 82 H MET 20 H MET 20 5.772 -6.867 -7.098 83 HA MET 20 HA MET 20 4.954 -6.282 -9.850 84 HB2 MET 20 HB2 MET 20 5.511 -3.790 -9.468 85 HB3 MET 20 HB3 MET 20 3.915 -4.375 -9.016 86 HG2 MET 20 HG2 MET 20 4.406 -4.358 -6.690 87 HG3 MET 20 HG3 MET 20 6.144 -4.208 -6.974 88 HE1 MET 20 HE1 MET 20 3.835 -1.962 -5.219 89 HE2 MET 20 HE2 MET 20 5.440 -2.739 -4.996 90 HE3 MET 20 HE3 MET 20 5.298 -0.960 -5.154 91 H THR 21 H THR 21 6.641 -5.323 -11.146 92 HA THR 21 HA THR 21 9.439 -5.781 -10.198 93 HB THR 21 HB THR 21 9.865 -6.925 -12.387 94 HG1 THR 21 HG1 THR 21 8.321 -7.568 -13.606 95 HG21 THR 21 HG21 THR 21 7.829 -8.350 -10.645 96 HG22 THR 21 HG22 THR 21 9.572 -8.177 -10.323 97 HG23 THR 21 HG23 THR 21 9.020 -9.087 -11.744 98 H CYS 22 H CYS 22 7.370 -3.838 -12.286 99 HA CYS 22 HA CYS 22 9.795 -2.344 -13.104 100 HB2 CYS 22 HB2 CYS 22 9.477 -2.708 -15.268 101 HB3 CYS 22 HB3 CYS 22 8.421 -4.004 -14.769 102 H GLN 23 H GLN 23 9.497 -0.182 -13.741 103 HA GLN 23 HA GLN 23 8.478 1.236 -11.576 104 HB2 GLN 23 HB2 GLN 23 9.500 2.126 -14.282 105 HB3 GLN 23 HB3 GLN 23 9.003 3.293 -13.064 106 HG2 GLN 23 HG2 GLN 23 11.146 1.165 -12.636 107 HG3 GLN 23 HG3 GLN 23 11.450 2.856 -13.019 108 HE21 GLN 23 HE21 GLN 23 12.668 1.993 -10.753 109 HE22 GLN 23 HE22 GLN 23 11.782 2.504 -9.318 110 H SER 24 H SER 24 6.695 0.632 -14.563 111 HA SER 24 HA SER 24 4.774 2.754 -14.200 112 HB2 SER 24 HB2 SER 24 4.508 0.112 -15.692 113 HB3 SER 24 HB3 SER 24 3.406 1.497 -15.830 114 HG SER 24 HG SER 24 5.195 2.762 -16.511 115 H CYS 25 H CYS 25 4.976 -0.477 -12.760 116 HA CYS 25 HA CYS 25 2.141 -0.562 -12.038 117 HB2 CYS 25 HB2 CYS 25 4.489 -2.347 -11.330 118 HB3 CYS 25 HB3 CYS 25 2.780 -2.711 -11.105 119 H VAL 26 H VAL 26 5.230 -0.010 -10.363 120 HA VAL 26 HA VAL 26 4.539 0.596 -7.695 121 HB VAL 26 HB VAL 26 6.368 2.488 -9.178 122 HG11 VAL 26 HG11 VAL 26 6.277 2.385 -6.675 123 HG12 VAL 26 HG12 VAL 26 6.877 0.698 -6.786 124 HG13 VAL 26 HG13 VAL 26 7.888 2.035 -7.355 125 HG21 VAL 26 HG21 VAL 26 8.174 0.924 -9.330 126 HG22 VAL 26 HG22 VAL 26 7.059 -0.429 -8.935 127 HG23 VAL 26 HG23 VAL 26 6.846 0.535 -10.412 128 H ASP 27 H ASP 27 4.571 2.831 -10.483 129 HA ASP 27 HA ASP 27 3.321 5.028 -9.107 130 HB2 ASP 27 HB2 ASP 27 3.831 4.312 -12.007 131 HB3 ASP 27 HB3 ASP 27 2.995 5.778 -11.523 132 H ALA 28 H ALA 28 1.972 2.282 -10.837 133 HA ALA 28 HA ALA 28 -0.721 3.401 -10.942 134 HB1 ALA 28 HB1 ALA 28 0.014 1.637 -12.512 135 HB2 ALA 28 HB2 ALA 28 0.138 0.490 -11.151 136 HB3 ALA 28 HB3 ALA 28 -1.432 1.177 -11.586 137 H VAL 29 H VAL 29 1.019 1.182 -8.576 138 HA VAL 29 HA VAL 29 -1.257 1.012 -6.905 139 HB VAL 29 HB VAL 29 1.596 0.880 -5.898 140 HG11 VAL 29 HG11 VAL 29 0.575 -0.677 -4.297 141 HG12 VAL 29 HG12 VAL 29 -0.430 0.781 -4.339 142 HG13 VAL 29 HG13 VAL 29 -0.944 -0.667 -5.232 143 HG21 VAL 29 HG21 VAL 29 1.821 -0.730 -7.582 144 HG22 VAL 29 HG22 VAL 29 1.253 -1.695 -6.252 145 HG23 VAL 29 HG23 VAL 29 0.103 -1.207 -7.518 146 H ARG 30 H ARG 30 1.478 3.356 -6.994 147 HA ARG 30 HA ARG 30 0.781 4.864 -4.648 148 HB2 ARG 30 HB2 ARG 30 2.074 5.665 -7.340 149 HB3 ARG 30 HB3 ARG 30 1.957 6.778 -6.011 150 HG2 ARG 30 HG2 ARG 30 3.552 5.693 -4.716 151 HG3 ARG 30 HG3 ARG 30 3.315 4.124 -5.501 152 HD2 ARG 30 HD2 ARG 30 4.530 4.748 -7.442 153 HD3 ARG 30 HD3 ARG 30 4.500 6.469 -7.014 154 HE ARG 30 HE ARG 30 5.910 5.306 -4.945 155 HH11 ARG 30 HH11 ARG 30 6.366 5.574 -8.443 156 HH12 ARG 30 HH12 ARG 30 8.066 5.110 -8.250 157 HH21 ARG 30 HH21 ARG 30 8.065 4.695 -4.908 158 HH22 ARG 30 HH22 ARG 30 8.961 4.689 -6.414 159 H LYS 31 H LYS 31 -0.415 5.154 -8.043 160 HA LYS 31 HA LYS 31 -2.124 7.407 -7.202 161 HB2 LYS 31 HB2 LYS 31 -1.625 6.213 -9.937 162 HB3 LYS 31 HB3 LYS 31 -2.661 7.620 -9.573 163 HG2 LYS 31 HG2 LYS 31 -0.679 8.558 -8.240 164 HG3 LYS 31 HG3 LYS 31 0.333 7.331 -8.990 165 HD2 LYS 31 HD2 LYS 31 0.083 8.357 -11.156 166 HD3 LYS 31 HD3 LYS 31 -1.281 9.369 -10.588 167 HE2 LYS 31 HE2 LYS 31 0.200 10.392 -8.878 168 HE3 LYS 31 HE3 LYS 31 1.567 9.462 -9.483 169 HZ1 LYS 31 HZ1 LYS 31 1.373 11.807 -10.361 170 HZ2 LYS 31 HZ2 LYS 31 0.021 11.388 -11.183 171 HZ3 LYS 31 HZ3 LYS 31 1.473 10.718 -11.561 172 H SER 32 H SER 32 -2.722 3.986 -7.583 173 HA SER 32 HA SER 32 -5.591 4.298 -7.186 174 HB2 SER 32 HB2 SER 32 -4.551 2.148 -7.914 175 HB3 SER 32 HB3 SER 32 -3.831 2.017 -6.294 176 HG SER 32 HG SER 32 -6.624 2.395 -6.789 177 H LEU 33 H LEU 33 -2.764 4.215 -5.000 178 HA LEU 33 HA LEU 33 -4.230 4.381 -2.498 179 HB2 LEU 33 HB2 LEU 33 -1.367 5.003 -3.367 180 HB3 LEU 33 HB3 LEU 33 -1.911 5.163 -1.720 181 HG LEU 33 HG LEU 33 -2.206 2.489 -3.124 182 HD11 LEU 33 HD11 LEU 33 0.191 3.126 -3.407 183 HD12 LEU 33 HD12 LEU 33 -0.008 1.828 -2.233 184 HD13 LEU 33 HD13 LEU 33 0.310 3.479 -1.679 185 HD21 LEU 33 HD21 LEU 33 -1.616 3.338 -0.275 186 HD22 LEU 33 HD22 LEU 33 -1.928 1.680 -0.832 187 HD23 LEU 33 HD23 LEU 33 -3.230 2.894 -0.892 188 H GLN 34 H GLN 34 -2.761 6.878 -4.597 189 HA GLN 34 HA GLN 34 -2.989 8.978 -2.752 190 HB2 GLN 34 HB2 GLN 34 -2.474 8.706 -5.663 191 HB3 GLN 34 HB3 GLN 34 -2.986 10.284 -5.183 192 HG2 GLN 34 HG2 GLN 34 -1.203 10.407 -3.475 193 HG3 GLN 34 HG3 GLN 34 -0.693 8.765 -3.862 194 HE21 GLN 34 HE21 GLN 34 1.366 10.251 -4.030 195 HE22 GLN 34 HE22 GLN 34 1.736 10.754 -5.675 196 H GLY 35 H GLY 35 -4.392 10.364 -2.191 197 HA2 GLY 35 HA2 GLY 35 -6.316 11.615 -2.021 198 HA3 GLY 35 HA3 GLY 35 -6.864 11.003 -3.579 199 H VAL 36 H VAL 36 -6.197 8.391 -1.311 200 HA VAL 36 HA VAL 36 -9.021 7.767 -1.183 201 HB VAL 36 HB VAL 36 -6.542 6.366 -0.149 202 HG11 VAL 36 HG11 VAL 36 -8.386 5.735 1.348 203 HG12 VAL 36 HG12 VAL 36 -9.445 5.425 -0.049 204 HG13 VAL 36 HG13 VAL 36 -8.027 4.404 0.250 205 HG21 VAL 36 HG21 VAL 36 -7.072 4.747 -1.928 206 HG22 VAL 36 HG22 VAL 36 -8.513 5.677 -2.385 207 HG23 VAL 36 HG23 VAL 36 -6.891 6.356 -2.627 208 H ALA 37 H ALA 37 -10.303 7.935 0.424 209 HA ALA 37 HA ALA 37 -9.869 9.776 2.580 210 HB1 ALA 37 HB1 ALA 37 -12.140 9.095 3.294 211 HB2 ALA 37 HB2 ALA 37 -12.068 9.443 1.557 212 HB3 ALA 37 HB3 ALA 37 -12.108 7.758 2.124 213 H GLY 38 H GLY 38 -8.724 9.458 4.355 214 HA2 GLY 38 HA2 GLY 38 -8.321 8.406 6.471 215 HA3 GLY 38 HA3 GLY 38 -8.708 6.829 5.781 216 H VAL 39 H VAL 39 -6.757 8.324 3.462 217 HA VAL 39 HA VAL 39 -4.231 7.229 4.625 218 HB VAL 39 HB VAL 39 -4.988 7.949 1.778 219 HG11 VAL 39 HG11 VAL 39 -2.586 8.366 2.101 220 HG12 VAL 39 HG12 VAL 39 -2.387 6.789 2.902 221 HG13 VAL 39 HG13 VAL 39 -2.808 6.886 1.177 222 HG21 VAL 39 HG21 VAL 39 -6.024 5.838 2.546 223 HG22 VAL 39 HG22 VAL 39 -4.744 5.515 1.376 224 HG23 VAL 39 HG23 VAL 39 -4.442 5.250 3.105 225 H GLN 40 H GLN 40 -2.834 8.593 5.475 226 HA GLN 40 HA GLN 40 -2.928 11.518 5.042 227 HB2 GLN 40 HB2 GLN 40 -1.277 9.601 6.700 228 HB3 GLN 40 HB3 GLN 40 -0.592 11.165 6.315 229 HG2 GLN 40 HG2 GLN 40 -3.347 10.890 7.567 230 HG3 GLN 40 HG3 GLN 40 -1.858 10.972 8.513 231 HE21 GLN 40 HE21 GLN 40 -3.776 12.787 8.964 232 HE22 GLN 40 HE22 GLN 40 -3.156 14.372 8.500 233 H ASP 41 H ASP 41 -0.691 8.806 4.365 234 HA ASP 41 HA ASP 41 0.561 10.097 2.050 235 HB2 ASP 41 HB2 ASP 41 1.873 9.832 4.788 236 HB3 ASP 41 HB3 ASP 41 2.834 9.834 3.346 237 H VAL 42 H VAL 42 2.386 8.763 1.316 238 HA VAL 42 HA VAL 42 2.390 5.892 2.028 239 HB VAL 42 HB VAL 42 2.219 5.234 -0.346 240 HG11 VAL 42 HG11 VAL 42 -0.177 5.316 -0.497 241 HG12 VAL 42 HG12 VAL 42 0.281 5.079 1.189 242 HG13 VAL 42 HG13 VAL 42 -0.274 6.673 0.627 243 HG21 VAL 42 HG21 VAL 42 1.172 8.039 -0.891 244 HG22 VAL 42 HG22 VAL 42 2.725 7.396 -1.467 245 HG23 VAL 42 HG23 VAL 42 1.207 6.680 -2.027 246 H GLU 43 H GLU 43 4.203 4.732 1.124 247 HA GLU 43 HA GLU 43 6.234 6.229 -0.391 248 HB2 GLU 43 HB2 GLU 43 6.778 6.782 1.960 249 HB3 GLU 43 HB3 GLU 43 6.860 5.075 2.361 250 HG2 GLU 43 HG2 GLU 43 8.759 4.817 0.786 251 HG3 GLU 43 HG3 GLU 43 8.673 6.540 0.419 252 H VAL 44 H VAL 44 6.752 4.850 -2.037 253 HA VAL 44 HA VAL 44 6.204 1.916 -1.650 254 HB VAL 44 HB VAL 44 5.828 3.536 -4.160 255 HG11 VAL 44 HG11 VAL 44 5.064 0.682 -3.420 256 HG12 VAL 44 HG12 VAL 44 4.698 1.523 -4.952 257 HG13 VAL 44 HG13 VAL 44 6.370 1.142 -4.530 258 HG21 VAL 44 HG21 VAL 44 4.022 2.680 -1.920 259 HG22 VAL 44 HG22 VAL 44 4.098 4.239 -2.744 260 HG23 VAL 44 HG23 VAL 44 3.380 2.839 -3.587 261 H HIS 45 H HIS 45 7.627 0.562 -1.957 262 HA HIS 45 HA HIS 45 10.360 1.367 -2.890 263 HB2 HIS 45 HB2 HIS 45 9.245 -0.199 -0.578 264 HB3 HIS 45 HB3 HIS 45 10.887 -0.551 -1.144 265 HD1 HIS 45 HD1 HIS 45 12.779 0.975 -0.325 266 HD2 HIS 45 HD2 HIS 45 8.890 2.444 0.361 267 HE1 HIS 45 HE1 HIS 45 13.052 3.153 0.992 268 H LEU 46 H LEU 46 9.950 0.661 -5.031 269 HA LEU 46 HA LEU 46 9.117 -1.977 -5.729 270 HB2 LEU 46 HB2 LEU 46 9.338 0.120 -7.126 271 HB3 LEU 46 HB3 LEU 46 11.055 -0.102 -7.172 272 HG LEU 46 HG LEU 46 9.585 -0.817 -9.188 273 HD11 LEU 46 HD11 LEU 46 11.960 -1.170 -9.029 274 HD12 LEU 46 HD12 LEU 46 11.140 -2.504 -9.859 275 HD13 LEU 46 HD13 LEU 46 11.700 -2.716 -8.183 276 HD21 LEU 46 HD21 LEU 46 9.352 -3.430 -7.655 277 HD22 LEU 46 HD22 LEU 46 8.761 -3.053 -9.282 278 HD23 LEU 46 HD23 LEU 46 8.009 -2.284 -7.877 279 H GLU 47 H GLU 47 12.142 -0.646 -4.682 280 HA GLU 47 HA GLU 47 13.902 -2.844 -5.365 281 HB2 GLU 47 HB2 GLU 47 14.125 -0.553 -3.394 282 HB3 GLU 47 HB3 GLU 47 15.446 -1.688 -3.701 283 HG2 GLU 47 HG2 GLU 47 15.633 -1.029 -5.995 284 HG3 GLU 47 HG3 GLU 47 14.131 -0.105 -5.939 285 H ASP 48 H ASP 48 11.847 -2.362 -2.505 286 HA ASP 48 HA ASP 48 12.813 -5.001 -1.477 287 HB2 ASP 48 HB2 ASP 48 12.258 -2.651 -0.029 288 HB3 ASP 48 HB3 ASP 48 10.790 -3.541 0.121 289 H GLN 49 H GLN 49 10.613 -3.891 -3.580 290 HA GLN 49 HA GLN 49 8.475 -4.109 -4.183 291 HB2 GLN 49 HB2 GLN 49 8.601 -6.976 -3.267 292 HB3 GLN 49 HB3 GLN 49 7.565 -6.263 -4.495 293 HG2 GLN 49 HG2 GLN 49 9.209 -7.424 -5.703 294 HG3 GLN 49 HG3 GLN 49 9.611 -5.722 -5.873 295 HE21 GLN 49 HE21 GLN 49 11.800 -5.282 -5.569 296 HE22 GLN 49 HE22 GLN 49 12.903 -6.346 -4.690 297 H MET 50 H MET 50 8.722 -2.869 -1.830 298 HA MET 50 HA MET 50 6.539 -3.911 -0.122 299 HB2 MET 50 HB2 MET 50 8.635 -3.953 1.026 300 HB3 MET 50 HB3 MET 50 8.980 -2.269 0.615 301 HG2 MET 50 HG2 MET 50 7.427 -1.417 2.133 302 HG3 MET 50 HG3 MET 50 6.534 -2.928 2.252 303 HE1 MET 50 HE1 MET 50 6.877 -4.811 3.765 304 HE2 MET 50 HE2 MET 50 8.393 -5.225 2.913 305 HE3 MET 50 HE3 MET 50 8.365 -5.132 4.686 306 H VAL 51 H VAL 51 5.065 -2.419 0.819 307 HA VAL 51 HA VAL 51 4.926 0.318 -0.365 308 HB VAL 51 HB VAL 51 2.380 -1.199 0.241 309 HG11 VAL 51 HG11 VAL 51 1.501 0.291 -1.425 310 HG12 VAL 51 HG12 VAL 51 2.535 1.274 -0.362 311 HG13 VAL 51 HG13 VAL 51 3.139 0.729 -1.956 312 HG21 VAL 51 HG21 VAL 51 2.203 -1.891 -2.136 313 HG22 VAL 51 HG22 VAL 51 3.936 -1.536 -2.344 314 HG23 VAL 51 HG23 VAL 51 3.399 -2.801 -1.207 315 H LEU 52 H LEU 52 5.029 1.779 1.232 316 HA LEU 52 HA LEU 52 3.983 1.120 3.934 317 HB2 LEU 52 HB2 LEU 52 5.564 3.524 2.992 318 HB3 LEU 52 HB3 LEU 52 4.944 3.266 4.603 319 HG LEU 52 HG LEU 52 6.411 1.024 4.477 320 HD11 LEU 52 HD11 LEU 52 7.865 2.791 2.481 321 HD12 LEU 52 HD12 LEU 52 7.143 1.207 2.127 322 HD13 LEU 52 HD13 LEU 52 8.512 1.319 3.230 323 HD21 LEU 52 HD21 LEU 52 8.350 2.266 5.384 324 HD22 LEU 52 HD22 LEU 52 6.831 2.868 6.050 325 HD23 LEU 52 HD23 LEU 52 7.661 3.785 4.775 326 H VAL 53 H VAL 53 2.158 1.918 4.626 327 HA VAL 53 HA VAL 53 0.793 4.108 3.128 328 HB VAL 53 HB VAL 53 -0.555 1.544 4.041 329 HG11 VAL 53 HG11 VAL 53 -2.500 2.456 2.812 330 HG12 VAL 53 HG12 VAL 53 -1.991 3.592 4.065 331 HG13 VAL 53 HG13 VAL 53 -1.569 3.905 2.374 332 HG21 VAL 53 HG21 VAL 53 0.776 0.997 2.088 333 HG22 VAL 53 HG22 VAL 53 -0.918 1.113 1.608 334 HG23 VAL 53 HG23 VAL 53 0.202 2.445 1.234 335 H HIS 54 H HIS 54 0.879 5.679 4.508 336 HA HIS 54 HA HIS 54 0.578 5.404 7.414 337 HB2 HIS 54 HB2 HIS 54 0.728 7.864 5.624 338 HB3 HIS 54 HB3 HIS 54 0.877 7.859 7.348 339 HD1 HIS 54 HD1 HIS 54 3.268 7.819 8.231 340 HD2 HIS 54 HD2 HIS 54 2.874 6.329 4.320 341 HE1 HIS 54 HE1 HIS 54 5.630 7.356 7.401 342 H THR 55 H THR 55 -1.529 4.728 7.954 343 HA THR 55 HA THR 55 -3.819 6.372 6.989 344 HB THR 55 HB THR 55 -3.432 4.751 5.239 345 HG1 THR 55 HG1 THR 55 -5.560 5.352 5.860 346 HG21 THR 55 HG21 THR 55 -4.072 2.544 7.250 347 HG22 THR 55 HG22 THR 55 -2.447 2.862 6.605 348 HG23 THR 55 HG23 THR 55 -3.751 2.375 5.513 349 H THR 56 H THR 56 -5.817 6.071 8.012 350 HA THR 56 HA THR 56 -5.763 4.791 10.692 351 HB THR 56 HB THR 56 -7.700 5.976 11.235 352 HG1 THR 56 HG1 THR 56 -8.755 7.303 9.702 353 HG21 THR 56 HG21 THR 56 -5.577 7.381 11.016 354 HG22 THR 56 HG22 THR 56 -7.107 8.252 11.051 355 HG23 THR 56 HG23 THR 56 -6.262 8.009 9.505 356 H LEU 57 H LEU 57 -6.500 3.765 7.615 357 HA LEU 57 HA LEU 57 -8.960 2.331 8.035 358 HB2 LEU 57 HB2 LEU 57 -6.721 2.023 5.992 359 HB3 LEU 57 HB3 LEU 57 -8.279 1.227 5.858 360 HG LEU 57 HG LEU 57 -7.840 4.256 5.817 361 HD11 LEU 57 HD11 LEU 57 -8.457 4.076 3.454 362 HD12 LEU 57 HD12 LEU 57 -8.614 2.314 3.603 363 HD13 LEU 57 HD13 LEU 57 -7.023 3.092 3.792 364 HD21 LEU 57 HD21 LEU 57 -10.036 3.765 6.749 365 HD22 LEU 57 HD22 LEU 57 -10.351 2.611 5.431 366 HD23 LEU 57 HD23 LEU 57 -10.199 4.351 5.092 367 HA PRO 58 HA PRO 58 -7.350 -1.433 9.894 368 HB2 PRO 58 HB2 PRO 58 -9.312 -3.088 8.438 369 HB3 PRO 58 HB3 PRO 58 -9.254 -2.736 10.183 370 HG2 PRO 58 HG2 PRO 58 -11.223 -1.728 8.539 371 HG3 PRO 58 HG3 PRO 58 -10.567 -0.770 9.910 372 HD2 PRO 58 HD2 PRO 58 -9.643 -0.759 7.029 373 HD3 PRO 58 HD3 PRO 58 -10.219 0.627 7.897 374 H SER 59 H SER 59 -5.778 -3.082 9.200 375 HA SER 59 HA SER 59 -4.782 -2.714 6.541 376 HB2 SER 59 HB2 SER 59 -3.772 -5.164 7.641 377 HB3 SER 59 HB3 SER 59 -2.935 -3.639 7.325 378 HG SER 59 HG SER 59 -3.841 -4.750 9.636 379 H GLN 60 H GLN 60 -7.111 -5.018 7.810 380 HA GLN 60 HA GLN 60 -7.281 -6.848 5.613 381 HB2 GLN 60 HB2 GLN 60 -9.439 -5.585 7.364 382 HB3 GLN 60 HB3 GLN 60 -9.726 -6.931 6.258 383 HG2 GLN 60 HG2 GLN 60 -8.339 -8.419 7.556 384 HG3 GLN 60 HG3 GLN 60 -7.694 -7.101 8.516 385 HE21 GLN 60 HE21 GLN 60 -8.469 -7.408 10.553 386 HE22 GLN 60 HE22 GLN 60 -10.112 -7.971 10.899 387 H GLU 61 H GLU 61 -8.471 -3.484 5.949 388 HA GLU 61 HA GLU 61 -10.013 -3.545 3.466 389 HB2 GLU 61 HB2 GLU 61 -10.485 -2.133 5.555 390 HB3 GLU 61 HB3 GLU 61 -9.122 -1.099 5.037 391 HG2 GLU 61 HG2 GLU 61 -10.218 -0.652 2.924 392 HG3 GLU 61 HG3 GLU 61 -11.516 -1.777 3.372 393 H VAL 62 H VAL 62 -6.831 -2.193 4.532 394 HA VAL 62 HA VAL 62 -6.206 -1.032 2.028 395 HB VAL 62 HB VAL 62 -4.192 -2.033 4.078 396 HG11 VAL 62 HG11 VAL 62 -3.318 -1.118 1.939 397 HG12 VAL 62 HG12 VAL 62 -4.232 0.374 2.210 398 HG13 VAL 62 HG13 VAL 62 -2.899 -0.076 3.304 399 HG21 VAL 62 HG21 VAL 62 -5.771 -0.759 5.395 400 HG22 VAL 62 HG22 VAL 62 -4.321 0.178 5.167 401 HG23 VAL 62 HG23 VAL 62 -5.774 0.560 4.202 402 H GLN 63 H GLN 63 -5.526 -4.330 3.335 403 HA GLN 63 HA GLN 63 -4.052 -5.358 1.094 404 HB2 GLN 63 HB2 GLN 63 -4.332 -6.554 3.223 405 HB3 GLN 63 HB3 GLN 63 -6.055 -6.654 2.978 406 HG2 GLN 63 HG2 GLN 63 -5.553 -7.988 0.826 407 HG3 GLN 63 HG3 GLN 63 -3.860 -8.034 1.386 408 HE21 GLN 63 HE21 GLN 63 -7.036 -9.461 1.744 409 HE22 GLN 63 HE22 GLN 63 -6.529 -10.621 2.974 410 H ALA 64 H ALA 64 -7.655 -4.993 1.491 411 HA ALA 64 HA ALA 64 -8.057 -6.317 -1.078 412 HB1 ALA 64 HB1 ALA 64 -9.971 -4.761 0.740 413 HB2 ALA 64 HB2 ALA 64 -10.443 -5.768 -0.648 414 HB3 ALA 64 HB3 ALA 64 -9.690 -6.516 0.773 415 H LEU 65 H LEU 65 -7.607 -2.995 0.045 416 HA LEU 65 HA LEU 65 -8.371 -1.700 -2.371 417 HB2 LEU 65 HB2 LEU 65 -6.728 -0.891 -0.004 418 HB3 LEU 65 HB3 LEU 65 -6.915 0.164 -1.381 419 HG LEU 65 HG LEU 65 -9.309 -0.964 0.144 420 HD11 LEU 65 HD11 LEU 65 -9.435 1.253 1.217 421 HD12 LEU 65 HD12 LEU 65 -7.903 1.719 0.442 422 HD13 LEU 65 HD13 LEU 65 -7.944 0.409 1.651 423 HD21 LEU 65 HD21 LEU 65 -10.494 0.941 -0.899 424 HD22 LEU 65 HD22 LEU 65 -9.858 -0.159 -2.123 425 HD23 LEU 65 HD23 LEU 65 -9.024 1.376 -1.784 426 H LEU 66 H LEU 66 -5.218 -2.738 -1.096 427 HA LEU 66 HA LEU 66 -3.559 -2.062 -3.333 428 HB2 LEU 66 HB2 LEU 66 -3.372 -4.157 -1.127 429 HB3 LEU 66 HB3 LEU 66 -2.075 -3.880 -2.277 430 HG LEU 66 HG LEU 66 -3.129 -1.567 -0.611 431 HD11 LEU 66 HD11 LEU 66 -1.031 -3.613 0.236 432 HD12 LEU 66 HD12 LEU 66 -2.591 -3.293 1.036 433 HD13 LEU 66 HD13 LEU 66 -1.341 -2.057 1.040 434 HD21 LEU 66 HD21 LEU 66 -0.405 -2.185 -1.818 435 HD22 LEU 66 HD22 LEU 66 -0.856 -0.718 -0.922 436 HD23 LEU 66 HD23 LEU 66 -1.611 -1.060 -2.486 437 H GLU 67 H GLU 67 -5.290 -5.097 -2.512 438 HA GLU 67 HA GLU 67 -4.708 -6.628 -4.820 439 HB2 GLU 67 HB2 GLU 67 -7.008 -6.433 -2.868 440 HB3 GLU 67 HB3 GLU 67 -7.161 -7.477 -4.223 441 HG2 GLU 67 HG2 GLU 67 -4.836 -8.470 -3.459 442 HG3 GLU 67 HG3 GLU 67 -5.125 -7.665 -1.963 443 H GLY 68 H GLY 68 -6.904 -3.911 -4.508 444 HA2 GLY 68 HA2 GLY 68 -8.288 -4.158 -7.026 445 HA3 GLY 68 HA3 GLY 68 -8.136 -2.706 -6.033 446 H THR 69 H THR 69 -5.013 -3.596 -6.562 447 HA THR 69 HA THR 69 -4.689 -1.911 -9.003 448 HB THR 69 HB THR 69 -2.460 -1.432 -8.343 449 HG1 THR 69 HG1 THR 69 -2.878 -3.129 -6.116 450 HG21 THR 69 HG21 THR 69 -2.886 -0.176 -6.331 451 HG22 THR 69 HG22 THR 69 -4.277 -1.182 -5.913 452 HG23 THR 69 HG23 THR 69 -4.320 -0.146 -7.359 453 H GLY 70 H GLY 70 -5.155 -5.050 -8.571 454 HA2 GLY 70 HA2 GLY 70 -5.214 -6.496 -10.412 455 HA3 GLY 70 HA3 GLY 70 -3.908 -5.604 -11.190 456 H ARG 71 H ARG 71 -3.396 -6.555 -7.920 457 HA ARG 71 HA ARG 71 -1.597 -8.814 -8.548 458 HB2 ARG 71 HB2 ARG 71 0.313 -7.530 -7.528 459 HB3 ARG 71 HB3 ARG 71 -0.238 -6.967 -9.079 460 HG2 ARG 71 HG2 ARG 71 -1.657 -5.210 -7.639 461 HG3 ARG 71 HG3 ARG 71 -0.612 -5.695 -6.332 462 HD2 ARG 71 HD2 ARG 71 0.306 -3.723 -7.308 463 HD3 ARG 71 HD3 ARG 71 1.365 -5.024 -7.851 464 HE ARG 71 HE ARG 71 -0.754 -3.611 -9.451 465 HH11 ARG 71 HH11 ARG 71 1.977 -5.864 -9.637 466 HH12 ARG 71 HH12 ARG 71 1.897 -5.868 -11.383 467 HH21 ARG 71 HH21 ARG 71 -0.913 -3.852 -11.550 468 HH22 ARG 71 HH22 ARG 71 0.281 -4.772 -12.438 469 H GLN 72 H GLN 72 -0.579 -9.670 -6.664 470 HA GLN 72 HA GLN 72 -2.396 -9.678 -4.350 471 HB2 GLN 72 HB2 GLN 72 -0.009 -11.395 -5.080 472 HB3 GLN 72 HB3 GLN 72 -0.811 -11.490 -3.512 473 HG2 GLN 72 HG2 GLN 72 -2.180 -11.963 -6.197 474 HG3 GLN 72 HG3 GLN 72 -1.631 -13.215 -5.083 475 HE21 GLN 72 HE21 GLN 72 -2.618 -13.000 -2.715 476 HE22 GLN 72 HE22 GLN 72 -4.290 -12.473 -2.670 477 H ALA 73 H ALA 73 -1.780 -9.485 -2.302 478 HA ALA 73 HA ALA 73 0.443 -7.671 -1.463 479 HB1 ALA 73 HB1 ALA 73 -1.240 -6.204 -0.413 480 HB2 ALA 73 HB2 ALA 73 -1.481 -6.268 -2.175 481 HB3 ALA 73 HB3 ALA 73 -2.554 -7.188 -1.101 482 H VAL 74 H VAL 74 1.229 -8.337 0.405 483 HA VAL 74 HA VAL 74 -0.358 -9.902 2.398 484 HB VAL 74 HB VAL 74 2.415 -10.517 1.317 485 HG11 VAL 74 HG11 VAL 74 2.479 -12.382 2.985 486 HG12 VAL 74 HG12 VAL 74 2.597 -10.784 3.715 487 HG13 VAL 74 HG13 VAL 74 1.056 -11.676 3.779 488 HG21 VAL 74 HG21 VAL 74 1.442 -12.765 0.901 489 HG22 VAL 74 HG22 VAL 74 -0.135 -12.169 1.487 490 HG23 VAL 74 HG23 VAL 74 0.594 -11.501 0.003 491 H LEU 75 H LEU 75 -0.243 -8.887 4.306 492 HA LEU 75 HA LEU 75 1.590 -6.681 4.757 493 HB2 LEU 75 HB2 LEU 75 -0.722 -6.816 5.483 494 HB3 LEU 75 HB3 LEU 75 -0.318 -8.013 6.655 495 HG LEU 75 HG LEU 75 0.836 -6.435 8.062 496 HD11 LEU 75 HD11 LEU 75 1.140 -3.971 7.148 497 HD12 LEU 75 HD12 LEU 75 1.101 -4.726 5.556 498 HD13 LEU 75 HD13 LEU 75 2.352 -5.156 6.757 499 HD21 LEU 75 HD21 LEU 75 -1.060 -4.842 6.394 500 HD22 LEU 75 HD22 LEU 75 -0.686 -4.522 8.129 501 HD23 LEU 75 HD23 LEU 75 -1.602 -5.995 7.662 502 H LYS 76 H LYS 76 3.237 -6.460 6.052 503 HA LYS 76 HA LYS 76 4.531 -8.910 7.192 504 HB2 LYS 76 HB2 LYS 76 5.814 -6.290 6.356 505 HB3 LYS 76 HB3 LYS 76 6.643 -7.649 7.059 506 HG2 LYS 76 HG2 LYS 76 5.141 -7.769 4.403 507 HG3 LYS 76 HG3 LYS 76 6.863 -7.448 4.558 508 HD2 LYS 76 HD2 LYS 76 5.471 -10.025 5.396 509 HD3 LYS 76 HD3 LYS 76 6.392 -9.766 3.914 510 HE2 LYS 76 HE2 LYS 76 8.421 -9.232 5.303 511 HE3 LYS 76 HE3 LYS 76 7.498 -9.653 6.753 512 HZ1 LYS 76 HZ1 LYS 76 8.144 -11.491 4.504 513 HZ2 LYS 76 HZ2 LYS 76 7.170 -11.893 5.746 514 HZ3 LYS 76 HZ3 LYS 76 8.757 -11.566 6.023 515 H GLY 77 H GLY 77 3.713 -5.564 8.007 516 HA2 GLY 77 HA2 GLY 77 2.536 -6.037 10.390 517 HA3 GLY 77 HA3 GLY 77 4.242 -5.867 10.854 518 H MET 78 H MET 78 3.581 -3.986 12.057 519 HA MET 78 HA MET 78 2.917 -1.573 10.486 520 HB2 MET 78 HB2 MET 78 2.430 -2.345 13.389 521 HB3 MET 78 HB3 MET 78 2.254 -0.714 12.755 522 HG2 MET 78 HG2 MET 78 0.076 -1.560 12.607 523 HG3 MET 78 HG3 MET 78 0.710 -1.691 10.974 524 HE1 MET 78 HE1 MET 78 -1.673 -4.709 10.994 525 HE2 MET 78 HE2 MET 78 -1.933 -3.114 11.738 526 HE3 MET 78 HE3 MET 78 -1.122 -3.239 10.159 527 H GLY 79 H GLY 79 4.039 0.328 10.839 528 HA2 GLY 79 HA2 GLY 79 6.856 -0.046 11.151 529 HA3 GLY 79 HA3 GLY 79 6.125 1.498 10.878 Start of MODEL 2 1 H GLY 9 H GLY 9 -10.890 4.811 14.565 2 HA2 GLY 9 HA2 GLY 9 -8.828 3.263 13.294 3 HA3 GLY 9 HA3 GLY 9 -9.600 4.400 12.174 4 H THR 10 H THR 10 -6.984 4.123 13.863 5 HA THR 10 HA THR 10 -6.621 7.041 14.028 6 HB THR 10 HB THR 10 -7.027 6.250 16.297 7 HG1 THR 10 HG1 THR 10 -5.443 7.415 17.155 8 HG21 THR 10 HG21 THR 10 -5.909 4.018 16.197 9 HG22 THR 10 HG22 THR 10 -5.273 5.016 17.516 10 HG23 THR 10 HG23 THR 10 -4.335 4.820 16.019 11 H LEU 11 H LEU 11 -4.345 7.671 13.929 12 HA LEU 11 HA LEU 11 -3.511 6.465 11.480 13 HB2 LEU 11 HB2 LEU 11 -3.448 8.995 12.412 14 HB3 LEU 11 HB3 LEU 11 -1.802 8.494 12.797 15 HG LEU 11 HG LEU 11 -1.941 9.792 10.775 16 HD11 LEU 11 HD11 LEU 11 -1.111 6.989 9.986 17 HD12 LEU 11 HD12 LEU 11 -0.134 8.100 10.982 18 HD13 LEU 11 HD13 LEU 11 -0.561 8.548 9.323 19 HD21 LEU 11 HD21 LEU 11 -3.597 7.526 9.635 20 HD22 LEU 11 HD22 LEU 11 -2.833 8.782 8.668 21 HD23 LEU 11 HD23 LEU 11 -4.084 9.215 9.860 22 H CYS 12 H CYS 12 -2.077 5.150 10.985 23 HA CYS 12 HA CYS 12 0.252 4.313 12.626 24 HB2 CYS 12 HB2 CYS 12 -2.127 2.590 11.829 25 HB3 CYS 12 HB3 CYS 12 -0.553 1.892 12.241 26 HG CYS 12 HG CYS 12 -2.373 1.691 14.162 27 H THR 13 H THR 13 1.759 2.983 11.374 28 HA THR 13 HA THR 13 1.586 3.440 8.391 29 HB THR 13 HB THR 13 4.007 2.622 10.023 30 HG1 THR 13 HG1 THR 13 4.733 4.683 9.696 31 HG21 THR 13 HG21 THR 13 4.085 1.964 7.631 32 HG22 THR 13 HG22 THR 13 5.216 3.277 7.948 33 HG23 THR 13 HG23 THR 13 3.669 3.630 7.157 34 H LEU 14 H LEU 14 0.849 1.735 7.281 35 HA LEU 14 HA LEU 14 1.362 -1.053 8.275 36 HB2 LEU 14 HB2 LEU 14 -0.579 0.201 6.340 37 HB3 LEU 14 HB3 LEU 14 -0.160 -1.507 6.242 38 HG LEU 14 HG LEU 14 -1.112 -2.063 8.293 39 HD11 LEU 14 HD11 LEU 14 -1.469 0.864 9.010 40 HD12 LEU 14 HD12 LEU 14 -0.347 -0.292 9.768 41 HD13 LEU 14 HD13 LEU 14 -2.078 -0.545 9.922 42 HD21 LEU 14 HD21 LEU 14 -2.892 0.111 7.110 43 HD22 LEU 14 HD22 LEU 14 -3.432 -1.235 8.124 44 HD23 LEU 14 HD23 LEU 14 -2.774 -1.557 6.509 45 H GLU 15 H GLU 15 3.028 -2.177 7.480 46 HA GLU 15 HA GLU 15 4.381 -1.250 4.990 47 HB2 GLU 15 HB2 GLU 15 5.521 -2.794 7.342 48 HB3 GLU 15 HB3 GLU 15 6.377 -2.325 5.867 49 HG2 GLU 15 HG2 GLU 15 5.776 0.084 6.420 50 HG3 GLU 15 HG3 GLU 15 5.252 -0.479 8.005 51 H PHE 16 H PHE 16 3.283 -2.363 3.436 52 HA PHE 16 HA PHE 16 2.755 -5.302 3.767 53 HB2 PHE 16 HB2 PHE 16 1.758 -3.262 1.722 54 HB3 PHE 16 HB3 PHE 16 1.446 -4.987 1.651 55 HD1 PHE 16 HD1 PHE 16 0.534 -1.934 3.501 56 HD2 PHE 16 HD2 PHE 16 -0.162 -6.137 2.832 57 HE1 PHE 16 HE1 PHE 16 -1.698 -1.740 4.559 58 HE2 PHE 16 HE2 PHE 16 -2.388 -5.947 3.914 59 HZ PHE 16 HZ PHE 16 -3.173 -3.759 4.744 60 H ALA 17 H ALA 17 3.335 -6.820 2.385 61 HA ALA 17 HA ALA 17 5.382 -6.249 0.272 62 HB1 ALA 17 HB1 ALA 17 4.244 -8.863 1.342 63 HB2 ALA 17 HB2 ALA 17 5.527 -8.706 0.121 64 HB3 ALA 17 HB3 ALA 17 5.813 -8.139 1.782 65 H VAL 18 H VAL 18 4.884 -6.400 -1.937 66 HA VAL 18 HA VAL 18 2.199 -7.345 -2.802 67 HB VAL 18 HB VAL 18 1.939 -5.319 -4.216 68 HG11 VAL 18 HG11 VAL 18 0.678 -5.491 -2.089 69 HG12 VAL 18 HG12 VAL 18 1.995 -4.644 -1.245 70 HG13 VAL 18 HG13 VAL 18 1.069 -3.828 -2.517 71 HG21 VAL 18 HG21 VAL 18 4.202 -4.495 -4.267 72 HG22 VAL 18 HG22 VAL 18 3.080 -3.298 -3.579 73 HG23 VAL 18 HG23 VAL 18 4.163 -4.206 -2.511 74 H GLN 19 H GLN 19 1.984 -7.726 -5.092 75 HA GLN 19 HA GLN 19 4.603 -8.463 -6.337 76 HB2 GLN 19 HB2 GLN 19 1.736 -9.271 -6.874 77 HB3 GLN 19 HB3 GLN 19 3.045 -9.650 -7.989 78 HG2 GLN 19 HG2 GLN 19 2.998 -10.484 -5.051 79 HG3 GLN 19 HG3 GLN 19 2.529 -11.512 -6.402 80 HE21 GLN 19 HE21 GLN 19 4.593 -12.235 -4.581 81 HE22 GLN 19 HE22 GLN 19 6.128 -12.195 -5.466 82 H MET 20 H MET 20 5.339 -6.408 -6.869 83 HA MET 20 HA MET 20 4.798 -5.919 -9.701 84 HB2 MET 20 HB2 MET 20 4.988 -3.407 -9.340 85 HB3 MET 20 HB3 MET 20 3.435 -4.113 -8.900 86 HG2 MET 20 HG2 MET 20 3.831 -3.924 -6.584 87 HG3 MET 20 HG3 MET 20 5.571 -3.766 -6.788 88 HE1 MET 20 HE1 MET 20 3.676 -1.964 -4.951 89 HE2 MET 20 HE2 MET 20 5.466 -2.012 -4.979 90 HE3 MET 20 HE3 MET 20 4.556 -0.452 -5.075 91 H THR 21 H THR 21 6.771 -5.165 -10.768 92 HA THR 21 HA THR 21 9.154 -4.685 -9.091 93 HB THR 21 HB THR 21 8.796 -7.076 -9.042 94 HG1 THR 21 HG1 THR 21 10.811 -7.540 -9.066 95 HG21 THR 21 HG21 THR 21 9.664 -7.127 -11.926 96 HG22 THR 21 HG22 THR 21 8.056 -7.580 -11.288 97 HG23 THR 21 HG23 THR 21 9.485 -8.515 -10.820 98 H CYS 22 H CYS 22 7.588 -3.736 -11.728 99 HA CYS 22 HA CYS 22 10.042 -2.448 -12.750 100 HB2 CYS 22 HB2 CYS 22 10.005 -3.428 -14.717 101 HB3 CYS 22 HB3 CYS 22 8.881 -4.549 -14.051 102 H GLN 23 H GLN 23 9.601 -0.539 -14.153 103 HA GLN 23 HA GLN 23 8.823 1.358 -12.243 104 HB2 GLN 23 HB2 GLN 23 9.570 1.580 -15.164 105 HB3 GLN 23 HB3 GLN 23 9.285 3.000 -14.171 106 HG2 GLN 23 HG2 GLN 23 11.332 0.874 -13.405 107 HG3 GLN 23 HG3 GLN 23 11.711 2.262 -14.416 108 HE21 GLN 23 HE21 GLN 23 11.915 1.259 -11.237 109 HE22 GLN 23 HE22 GLN 23 11.816 2.862 -10.485 110 H SER 24 H SER 24 6.893 0.584 -15.252 111 HA SER 24 HA SER 24 5.058 2.781 -14.750 112 HB2 SER 24 HB2 SER 24 4.855 0.298 -16.492 113 HB3 SER 24 HB3 SER 24 3.616 1.568 -16.431 114 HG SER 24 HG SER 24 5.050 1.929 -18.113 115 H CYS 25 H CYS 25 5.242 -0.355 -13.278 116 HA CYS 25 HA CYS 25 2.426 -0.384 -12.488 117 HB2 CYS 25 HB2 CYS 25 4.776 -2.119 -11.663 118 HB3 CYS 25 HB3 CYS 25 3.072 -2.462 -11.407 119 H VAL 26 H VAL 26 5.556 0.524 -11.082 120 HA VAL 26 HA VAL 26 4.920 1.017 -8.407 121 HB VAL 26 HB VAL 26 6.644 2.938 -10.004 122 HG11 VAL 26 HG11 VAL 26 8.154 2.723 -8.128 123 HG12 VAL 26 HG12 VAL 26 6.529 3.072 -7.479 124 HG13 VAL 26 HG13 VAL 26 7.186 1.411 -7.446 125 HG21 VAL 26 HG21 VAL 26 8.501 1.328 -9.911 126 HG22 VAL 26 HG22 VAL 26 7.313 0.063 -9.433 127 HG23 VAL 26 HG23 VAL 26 7.188 0.866 -10.992 128 H ASP 27 H ASP 27 4.775 3.293 -11.173 129 HA ASP 27 HA ASP 27 3.390 5.431 -9.887 130 HB2 ASP 27 HB2 ASP 27 3.907 4.515 -12.708 131 HB3 ASP 27 HB3 ASP 27 2.542 5.590 -12.465 132 H ALA 28 H ALA 28 2.158 2.409 -11.401 133 HA ALA 28 HA ALA 28 -0.602 3.352 -11.398 134 HB1 ALA 28 HB1 ALA 28 0.378 0.463 -11.414 135 HB2 ALA 28 HB2 ALA 28 -1.194 1.066 -11.922 136 HB3 ALA 28 HB3 ALA 28 0.250 1.490 -12.875 137 H VAL 29 H VAL 29 1.313 1.304 -9.087 138 HA VAL 29 HA VAL 29 -0.972 0.897 -7.441 139 HB VAL 29 HB VAL 29 1.980 0.424 -6.890 140 HG11 VAL 29 HG11 VAL 29 1.183 -1.138 -5.183 141 HG12 VAL 29 HG12 VAL 29 0.549 0.481 -4.838 142 HG13 VAL 29 HG13 VAL 29 -0.504 -0.752 -5.591 143 HG21 VAL 29 HG21 VAL 29 -0.212 -1.538 -7.758 144 HG22 VAL 29 HG22 VAL 29 1.045 -0.950 -8.831 145 HG23 VAL 29 HG23 VAL 29 1.485 -1.933 -7.438 146 H ARG 30 H ARG 30 1.765 3.217 -7.382 147 HA ARG 30 HA ARG 30 1.137 4.613 -4.923 148 HB2 ARG 30 HB2 ARG 30 2.388 5.434 -7.619 149 HB3 ARG 30 HB3 ARG 30 2.222 6.570 -6.306 150 HG2 ARG 30 HG2 ARG 30 3.723 5.365 -4.892 151 HG3 ARG 30 HG3 ARG 30 3.740 3.953 -5.950 152 HD2 ARG 30 HD2 ARG 30 4.979 5.011 -7.649 153 HD3 ARG 30 HD3 ARG 30 4.683 6.637 -6.996 154 HE ARG 30 HE ARG 30 6.928 5.055 -6.516 155 HH11 ARG 30 HH11 ARG 30 4.951 7.249 -4.598 156 HH12 ARG 30 HH12 ARG 30 6.161 7.319 -3.350 157 HH21 ARG 30 HH21 ARG 30 8.353 5.233 -4.958 158 HH22 ARG 30 HH22 ARG 30 7.995 6.175 -3.517 159 H LYS 31 H LYS 31 -0.186 4.988 -8.263 160 HA LYS 31 HA LYS 31 -1.851 7.220 -7.256 161 HB2 LYS 31 HB2 LYS 31 -1.356 6.246 -10.070 162 HB3 LYS 31 HB3 LYS 31 -2.391 7.618 -9.588 163 HG2 LYS 31 HG2 LYS 31 -0.325 8.353 -8.112 164 HG3 LYS 31 HG3 LYS 31 0.621 7.292 -9.148 165 HD2 LYS 31 HD2 LYS 31 0.088 8.677 -11.081 166 HD3 LYS 31 HD3 LYS 31 -1.155 9.550 -10.147 167 HE2 LYS 31 HE2 LYS 31 0.597 10.271 -8.526 168 HE3 LYS 31 HE3 LYS 31 1.837 9.538 -9.548 169 HZ1 LYS 31 HZ1 LYS 31 1.177 11.072 -11.334 170 HZ2 LYS 31 HZ2 LYS 31 1.506 11.978 -10.001 171 HZ3 LYS 31 HZ3 LYS 31 -0.046 11.668 -10.465 172 H SER 32 H SER 32 -2.471 3.860 -7.766 173 HA SER 32 HA SER 32 -5.334 4.198 -7.232 174 HB2 SER 32 HB2 SER 32 -4.224 2.101 -8.120 175 HB3 SER 32 HB3 SER 32 -3.659 1.838 -6.455 176 HG SER 32 HG SER 32 -6.320 1.984 -7.476 177 H LEU 33 H LEU 33 -2.372 3.947 -5.231 178 HA LEU 33 HA LEU 33 -3.652 3.991 -2.647 179 HB2 LEU 33 HB2 LEU 33 -0.885 4.542 -3.759 180 HB3 LEU 33 HB3 LEU 33 -1.209 4.884 -2.088 181 HG LEU 33 HG LEU 33 -1.805 2.136 -3.234 182 HD11 LEU 33 HD11 LEU 33 0.382 1.403 -2.609 183 HD12 LEU 33 HD12 LEU 33 0.830 3.005 -1.955 184 HD13 LEU 33 HD13 LEU 33 0.612 2.762 -3.696 185 HD21 LEU 33 HD21 LEU 33 -2.678 2.720 -0.981 186 HD22 LEU 33 HD22 LEU 33 -1.041 3.208 -0.489 187 HD23 LEU 33 HD23 LEU 33 -1.384 1.509 -0.862 188 H GLN 34 H GLN 34 -2.398 6.618 -4.706 189 HA GLN 34 HA GLN 34 -2.656 8.674 -2.781 190 HB2 GLN 34 HB2 GLN 34 -2.284 8.496 -5.725 191 HB3 GLN 34 HB3 GLN 34 -2.883 10.012 -5.169 192 HG2 GLN 34 HG2 GLN 34 -0.999 10.228 -3.570 193 HG3 GLN 34 HG3 GLN 34 -0.402 8.650 -4.061 194 HE21 GLN 34 HE21 GLN 34 1.655 9.585 -4.805 195 HE22 GLN 34 HE22 GLN 34 1.728 10.718 -6.131 196 H GLY 35 H GLY 35 -4.141 9.849 -2.075 197 HA2 GLY 35 HA2 GLY 35 -6.205 10.810 -1.670 198 HA3 GLY 35 HA3 GLY 35 -6.720 10.371 -3.299 199 H VAL 36 H VAL 36 -5.692 7.790 -1.055 200 HA VAL 36 HA VAL 36 -8.278 6.521 -1.028 201 HB VAL 36 HB VAL 36 -5.622 6.024 0.328 202 HG11 VAL 36 HG11 VAL 36 -8.190 4.465 0.865 203 HG12 VAL 36 HG12 VAL 36 -6.552 3.930 1.288 204 HG13 VAL 36 HG13 VAL 36 -7.225 5.363 2.061 205 HG21 VAL 36 HG21 VAL 36 -7.370 4.267 -1.458 206 HG22 VAL 36 HG22 VAL 36 -6.089 5.320 -2.072 207 HG23 VAL 36 HG23 VAL 36 -5.680 3.985 -0.986 208 H ALA 37 H ALA 37 -9.789 6.603 0.377 209 HA ALA 37 HA ALA 37 -10.086 8.779 2.266 210 HB1 ALA 37 HB1 ALA 37 -12.195 7.598 2.880 211 HB2 ALA 37 HB2 ALA 37 -12.019 7.831 1.132 212 HB3 ALA 37 HB3 ALA 37 -11.719 6.238 1.848 213 H GLY 38 H GLY 38 -8.925 8.932 4.090 214 HA2 GLY 38 HA2 GLY 38 -8.563 8.257 6.365 215 HA3 GLY 38 HA3 GLY 38 -8.617 6.563 5.884 216 H VAL 39 H VAL 39 -6.723 8.317 3.594 217 HA VAL 39 HA VAL 39 -4.224 7.439 4.944 218 HB VAL 39 HB VAL 39 -4.909 6.888 2.511 219 HG11 VAL 39 HG11 VAL 39 -4.115 8.333 0.775 220 HG12 VAL 39 HG12 VAL 39 -5.211 9.302 1.776 221 HG13 VAL 39 HG13 VAL 39 -3.460 9.502 1.930 222 HG21 VAL 39 HG21 VAL 39 -2.590 6.658 1.882 223 HG22 VAL 39 HG22 VAL 39 -2.083 7.828 3.115 224 HG23 VAL 39 HG23 VAL 39 -2.778 6.265 3.595 225 H GLN 40 H GLN 40 -2.549 8.750 5.471 226 HA GLN 40 HA GLN 40 -2.791 11.723 5.142 227 HB2 GLN 40 HB2 GLN 40 -1.373 9.911 7.127 228 HB3 GLN 40 HB3 GLN 40 -0.710 11.487 6.769 229 HG2 GLN 40 HG2 GLN 40 -3.001 12.482 7.286 230 HG3 GLN 40 HG3 GLN 40 -3.429 10.893 7.930 231 HE21 GLN 40 HE21 GLN 40 -3.579 12.948 9.703 232 HE22 GLN 40 HE22 GLN 40 -2.186 13.041 10.759 233 H ASP 41 H ASP 41 -0.552 8.948 4.726 234 HA ASP 41 HA ASP 41 0.978 10.388 2.647 235 HB2 ASP 41 HB2 ASP 41 2.271 9.241 5.148 236 HB3 ASP 41 HB3 ASP 41 3.131 9.798 3.789 237 H VAL 42 H VAL 42 2.324 8.962 1.476 238 HA VAL 42 HA VAL 42 2.364 6.070 2.090 239 HB VAL 42 HB VAL 42 1.877 5.441 -0.197 240 HG11 VAL 42 HG11 VAL 42 0.057 5.471 1.492 241 HG12 VAL 42 HG12 VAL 42 -0.424 7.079 0.908 242 HG13 VAL 42 HG13 VAL 42 -0.533 5.677 -0.162 243 HG21 VAL 42 HG21 VAL 42 2.429 7.498 -1.452 244 HG22 VAL 42 HG22 VAL 42 0.815 6.897 -1.838 245 HG23 VAL 42 HG23 VAL 42 1.004 8.295 -0.755 246 H GLU 43 H GLU 43 4.182 4.939 1.203 247 HA GLU 43 HA GLU 43 5.872 6.292 -0.793 248 HB2 GLU 43 HB2 GLU 43 6.835 6.809 1.370 249 HB3 GLU 43 HB3 GLU 43 6.822 5.100 1.804 250 HG2 GLU 43 HG2 GLU 43 8.907 5.704 1.171 251 HG3 GLU 43 HG3 GLU 43 8.381 4.625 -0.096 252 H VAL 44 H VAL 44 6.745 4.835 -2.245 253 HA VAL 44 HA VAL 44 6.154 1.929 -1.830 254 HB VAL 44 HB VAL 44 5.933 3.552 -4.338 255 HG11 VAL 44 HG11 VAL 44 6.518 0.561 -4.250 256 HG12 VAL 44 HG12 VAL 44 5.846 1.453 -5.640 257 HG13 VAL 44 HG13 VAL 44 7.476 1.820 -5.071 258 HG21 VAL 44 HG21 VAL 44 3.960 2.888 -2.920 259 HG22 VAL 44 HG22 VAL 44 3.898 2.207 -4.559 260 HG23 VAL 44 HG23 VAL 44 4.420 1.186 -3.215 261 H HIS 45 H HIS 45 7.673 0.546 -1.841 262 HA HIS 45 HA HIS 45 10.392 1.343 -2.801 263 HB2 HIS 45 HB2 HIS 45 9.562 -0.484 -0.493 264 HB3 HIS 45 HB3 HIS 45 11.191 -0.407 -1.157 265 HD1 HIS 45 HD1 HIS 45 12.774 1.009 0.154 266 HD2 HIS 45 HD2 HIS 45 8.770 2.257 0.467 267 HE1 HIS 45 HE1 HIS 45 12.761 2.993 1.766 268 H LEU 46 H LEU 46 9.911 0.692 -4.855 269 HA LEU 46 HA LEU 46 8.993 -1.917 -5.652 270 HB2 LEU 46 HB2 LEU 46 9.142 0.268 -6.969 271 HB3 LEU 46 HB3 LEU 46 10.870 0.059 -7.058 272 HG LEU 46 HG LEU 46 9.614 -0.535 -9.097 273 HD11 LEU 46 HD11 LEU 46 10.960 -3.056 -8.143 274 HD12 LEU 46 HD12 LEU 46 11.858 -1.567 -8.533 275 HD13 LEU 46 HD13 LEU 46 10.873 -2.347 -9.763 276 HD21 LEU 46 HD21 LEU 46 8.215 -2.446 -9.275 277 HD22 LEU 46 HD22 LEU 46 7.637 -1.559 -7.862 278 HD23 LEU 46 HD23 LEU 46 8.625 -3.010 -7.635 279 H GLU 47 H GLU 47 12.105 -0.493 -4.811 280 HA GLU 47 HA GLU 47 13.937 -2.581 -5.369 281 HB2 GLU 47 HB2 GLU 47 13.811 -0.507 -3.148 282 HB3 GLU 47 HB3 GLU 47 15.227 -1.522 -3.434 283 HG2 GLU 47 HG2 GLU 47 15.737 -0.518 -5.493 284 HG3 GLU 47 HG3 GLU 47 14.118 0.134 -5.717 285 H ASP 48 H ASP 48 11.618 -2.414 -2.681 286 HA ASP 48 HA ASP 48 12.642 -5.000 -1.662 287 HB2 ASP 48 HB2 ASP 48 11.376 -2.549 -0.480 288 HB3 ASP 48 HB3 ASP 48 10.750 -4.026 0.117 289 H GLN 49 H GLN 49 10.298 -3.792 -3.736 290 HA GLN 49 HA GLN 49 8.128 -4.098 -4.265 291 HB2 GLN 49 HB2 GLN 49 8.318 -6.955 -3.309 292 HB3 GLN 49 HB3 GLN 49 7.282 -6.257 -4.534 293 HG2 GLN 49 HG2 GLN 49 9.059 -5.876 -6.078 294 HG3 GLN 49 HG3 GLN 49 10.135 -6.630 -4.944 295 HE21 GLN 49 HE21 GLN 49 7.606 -7.235 -7.197 296 HE22 GLN 49 HE22 GLN 49 7.793 -8.989 -7.208 297 H MET 50 H MET 50 8.589 -2.914 -1.851 298 HA MET 50 HA MET 50 6.414 -3.908 -0.086 299 HB2 MET 50 HB2 MET 50 8.575 -4.127 0.954 300 HB3 MET 50 HB3 MET 50 8.958 -2.425 0.639 301 HG2 MET 50 HG2 MET 50 7.506 -1.643 2.283 302 HG3 MET 50 HG3 MET 50 6.528 -3.105 2.291 303 HE1 MET 50 HE1 MET 50 6.735 -5.074 3.777 304 HE2 MET 50 HE2 MET 50 8.106 -5.553 2.744 305 HE3 MET 50 HE3 MET 50 8.263 -5.610 4.512 306 H VAL 51 H VAL 51 5.094 -2.364 0.967 307 HA VAL 51 HA VAL 51 5.060 0.399 -0.169 308 HB VAL 51 HB VAL 51 2.498 -1.083 0.499 309 HG11 VAL 51 HG11 VAL 51 1.610 0.542 -1.085 310 HG12 VAL 51 HG12 VAL 51 2.555 1.410 0.137 311 HG13 VAL 51 HG13 VAL 51 3.258 1.102 -1.464 312 HG21 VAL 51 HG21 VAL 51 3.446 -2.553 -1.141 313 HG22 VAL 51 HG22 VAL 51 2.204 -1.571 -1.921 314 HG23 VAL 51 HG23 VAL 51 3.926 -1.189 -2.184 315 H LEU 52 H LEU 52 4.804 1.990 1.266 316 HA LEU 52 HA LEU 52 4.014 1.376 4.084 317 HB2 LEU 52 HB2 LEU 52 5.670 3.650 2.914 318 HB3 LEU 52 HB3 LEU 52 5.001 3.665 4.525 319 HG LEU 52 HG LEU 52 6.292 1.288 4.685 320 HD11 LEU 52 HD11 LEU 52 7.974 2.838 2.686 321 HD12 LEU 52 HD12 LEU 52 7.133 1.306 2.351 322 HD13 LEU 52 HD13 LEU 52 8.446 1.345 3.529 323 HD21 LEU 52 HD21 LEU 52 8.219 2.444 5.667 324 HD22 LEU 52 HD22 LEU 52 6.713 3.245 6.138 325 HD23 LEU 52 HD23 LEU 52 7.731 3.956 4.870 326 H VAL 53 H VAL 53 2.161 2.111 4.746 327 HA VAL 53 HA VAL 53 0.756 4.281 3.267 328 HB VAL 53 HB VAL 53 -0.534 1.659 4.110 329 HG11 VAL 53 HG11 VAL 53 -2.491 2.531 2.891 330 HG12 VAL 53 HG12 VAL 53 -2.032 3.660 4.169 331 HG13 VAL 53 HG13 VAL 53 -1.607 4.015 2.485 332 HG21 VAL 53 HG21 VAL 53 0.270 2.633 1.354 333 HG22 VAL 53 HG22 VAL 53 0.818 1.164 2.186 334 HG23 VAL 53 HG23 VAL 53 -0.860 1.290 1.658 335 H HIS 54 H HIS 54 0.812 5.825 4.711 336 HA HIS 54 HA HIS 54 0.546 5.368 7.594 337 HB2 HIS 54 HB2 HIS 54 0.785 7.947 6.037 338 HB3 HIS 54 HB3 HIS 54 1.018 7.779 7.732 339 HD1 HIS 54 HD1 HIS 54 3.421 7.238 8.585 340 HD2 HIS 54 HD2 HIS 54 2.816 6.495 4.503 341 HE1 HIS 54 HE1 HIS 54 5.668 6.493 7.652 342 H THR 55 H THR 55 -1.574 4.804 8.151 343 HA THR 55 HA THR 55 -3.830 6.482 7.194 344 HB THR 55 HB THR 55 -3.470 4.875 5.424 345 HG1 THR 55 HG1 THR 55 -5.608 5.450 6.091 346 HG21 THR 55 HG21 THR 55 -2.457 2.981 6.739 347 HG22 THR 55 HG22 THR 55 -3.789 2.488 5.683 348 HG23 THR 55 HG23 THR 55 -4.058 2.649 7.430 349 H THR 56 H THR 56 -5.855 6.142 8.223 350 HA THR 56 HA THR 56 -5.812 4.950 10.924 351 HB THR 56 HB THR 56 -8.021 5.934 11.188 352 HG1 THR 56 HG1 THR 56 -8.934 7.050 9.447 353 HG21 THR 56 HG21 THR 56 -6.324 8.002 9.741 354 HG22 THR 56 HG22 THR 56 -6.022 7.464 11.410 355 HG23 THR 56 HG23 THR 56 -7.547 8.258 10.999 356 H LEU 57 H LEU 57 -6.422 3.715 7.847 357 HA LEU 57 HA LEU 57 -8.776 2.145 8.371 358 HB2 LEU 57 HB2 LEU 57 -6.569 1.909 6.299 359 HB3 LEU 57 HB3 LEU 57 -8.058 0.973 6.249 360 HG LEU 57 HG LEU 57 -7.896 4.018 6.043 361 HD11 LEU 57 HD11 LEU 57 -8.406 1.853 3.951 362 HD12 LEU 57 HD12 LEU 57 -6.927 2.838 4.107 363 HD13 LEU 57 HD13 LEU 57 -8.457 3.600 3.674 364 HD21 LEU 57 HD21 LEU 57 -10.262 3.846 5.335 365 HD22 LEU 57 HD22 LEU 57 -10.062 3.291 6.994 366 HD23 LEU 57 HD23 LEU 57 -10.253 2.107 5.678 367 HA PRO 58 HA PRO 58 -6.735 -1.550 10.094 368 HB2 PRO 58 HB2 PRO 58 -8.932 -3.205 8.997 369 HB3 PRO 58 HB3 PRO 58 -8.513 -2.933 10.707 370 HG2 PRO 58 HG2 PRO 58 -10.791 -1.883 9.580 371 HG3 PRO 58 HG3 PRO 58 -9.851 -0.965 10.802 372 HD2 PRO 58 HD2 PRO 58 -9.615 -0.791 7.770 373 HD3 PRO 58 HD3 PRO 58 -9.941 0.523 8.904 374 H SER 59 H SER 59 -5.336 -3.080 9.094 375 HA SER 59 HA SER 59 -4.826 -2.887 6.300 376 HB2 SER 59 HB2 SER 59 -3.559 -5.110 6.687 377 HB3 SER 59 HB3 SER 59 -2.985 -3.644 7.469 378 HG SER 59 HG SER 59 -4.111 -5.955 8.503 379 H GLN 60 H GLN 60 -7.255 -4.779 7.880 380 HA GLN 60 HA GLN 60 -7.796 -6.741 5.890 381 HB2 GLN 60 HB2 GLN 60 -9.751 -5.138 7.589 382 HB3 GLN 60 HB3 GLN 60 -10.093 -6.672 6.788 383 HG2 GLN 60 HG2 GLN 60 -8.496 -7.827 8.288 384 HG3 GLN 60 HG3 GLN 60 -8.094 -6.291 9.069 385 HE21 GLN 60 HE21 GLN 60 -8.848 -7.653 11.056 386 HE22 GLN 60 HE22 GLN 60 -10.594 -7.684 11.325 387 H GLU 61 H GLU 61 -8.644 -3.208 5.958 388 HA GLU 61 HA GLU 61 -10.122 -3.449 3.391 389 HB2 GLU 61 HB2 GLU 61 -9.281 -0.950 4.804 390 HB3 GLU 61 HB3 GLU 61 -10.352 -1.125 3.405 391 HG2 GLU 61 HG2 GLU 61 -10.758 -1.986 6.230 392 HG3 GLU 61 HG3 GLU 61 -11.701 -0.862 5.213 393 H VAL 62 H VAL 62 -6.995 -2.096 4.622 394 HA VAL 62 HA VAL 62 -6.255 -0.995 2.144 395 HB VAL 62 HB VAL 62 -4.247 -1.967 4.192 396 HG11 VAL 62 HG11 VAL 62 -3.414 -0.935 2.074 397 HG12 VAL 62 HG12 VAL 62 -4.390 0.505 2.417 398 HG13 VAL 62 HG13 VAL 62 -3.033 0.066 3.483 399 HG21 VAL 62 HG21 VAL 62 -5.977 0.509 4.410 400 HG22 VAL 62 HG22 VAL 62 -5.829 -0.828 5.577 401 HG23 VAL 62 HG23 VAL 62 -4.474 0.239 5.328 402 H GLN 63 H GLN 63 -5.622 -4.298 3.428 403 HA GLN 63 HA GLN 63 -4.039 -5.251 1.251 404 HB2 GLN 63 HB2 GLN 63 -4.398 -6.482 3.346 405 HB3 GLN 63 HB3 GLN 63 -6.112 -6.637 3.007 406 HG2 GLN 63 HG2 GLN 63 -5.644 -8.043 1.038 407 HG3 GLN 63 HG3 GLN 63 -3.898 -7.768 1.258 408 HE21 GLN 63 HE21 GLN 63 -3.345 -9.980 1.551 409 HE22 GLN 63 HE22 GLN 63 -3.831 -10.839 3.025 410 H ALA 64 H ALA 64 -7.599 -4.847 1.535 411 HA ALA 64 HA ALA 64 -8.061 -6.252 -0.955 412 HB1 ALA 64 HB1 ALA 64 -9.699 -6.291 0.932 413 HB2 ALA 64 HB2 ALA 64 -9.894 -4.528 0.850 414 HB3 ALA 64 HB3 ALA 64 -10.445 -5.548 -0.496 415 H LEU 65 H LEU 65 -7.649 -2.911 0.115 416 HA LEU 65 HA LEU 65 -8.399 -1.558 -2.279 417 HB2 LEU 65 HB2 LEU 65 -6.807 -0.818 0.144 418 HB3 LEU 65 HB3 LEU 65 -7.037 0.302 -1.177 419 HG LEU 65 HG LEU 65 -9.428 -1.076 0.137 420 HD11 LEU 65 HD11 LEU 65 -9.725 0.922 1.539 421 HD12 LEU 65 HD12 LEU 65 -8.152 1.548 0.983 422 HD13 LEU 65 HD13 LEU 65 -8.255 0.050 1.947 423 HD21 LEU 65 HD21 LEU 65 -10.640 0.902 -0.685 424 HD22 LEU 65 HD22 LEU 65 -9.848 0.051 -2.017 425 HD23 LEU 65 HD23 LEU 65 -9.136 1.551 -1.374 426 H LEU 66 H LEU 66 -5.280 -2.592 -0.981 427 HA LEU 66 HA LEU 66 -3.582 -1.992 -3.207 428 HB2 LEU 66 HB2 LEU 66 -3.471 -4.058 -0.973 429 HB3 LEU 66 HB3 LEU 66 -2.161 -3.832 -2.119 430 HG LEU 66 HG LEU 66 -3.154 -1.457 -0.509 431 HD11 LEU 66 HD11 LEU 66 -1.126 -3.536 0.420 432 HD12 LEU 66 HD12 LEU 66 -2.689 -3.170 1.190 433 HD13 LEU 66 HD13 LEU 66 -1.423 -1.956 1.182 434 HD21 LEU 66 HD21 LEU 66 -0.452 -2.217 -1.688 435 HD22 LEU 66 HD22 LEU 66 -0.813 -0.734 -0.793 436 HD23 LEU 66 HD23 LEU 66 -1.590 -1.027 -2.359 437 H GLU 67 H GLU 67 -5.330 -5.066 -2.381 438 HA GLU 67 HA GLU 67 -4.702 -6.494 -4.743 439 HB2 GLU 67 HB2 GLU 67 -6.852 -6.556 -2.656 440 HB3 GLU 67 HB3 GLU 67 -7.201 -7.423 -4.092 441 HG2 GLU 67 HG2 GLU 67 -4.476 -8.088 -3.241 442 HG3 GLU 67 HG3 GLU 67 -5.579 -8.255 -1.889 443 H GLY 68 H GLY 68 -6.952 -3.836 -4.372 444 HA2 GLY 68 HA2 GLY 68 -8.420 -4.065 -6.828 445 HA3 GLY 68 HA3 GLY 68 -8.124 -2.596 -5.894 446 H THR 69 H THR 69 -5.065 -3.331 -6.326 447 HA THR 69 HA THR 69 -4.746 -1.961 -8.924 448 HB THR 69 HB THR 69 -2.368 -1.855 -8.437 449 HG1 THR 69 HG1 THR 69 -2.929 -3.298 -6.076 450 HG21 THR 69 HG21 THR 69 -2.452 -0.406 -6.550 451 HG22 THR 69 HG22 THR 69 -3.990 -1.094 -5.989 452 HG23 THR 69 HG23 THR 69 -3.899 -0.194 -7.523 453 H GLY 70 H GLY 70 -5.507 -5.048 -8.294 454 HA2 GLY 70 HA2 GLY 70 -5.635 -6.812 -9.769 455 HA3 GLY 70 HA3 GLY 70 -4.604 -5.942 -10.913 456 H ARG 71 H ARG 71 -3.567 -6.572 -7.613 457 HA ARG 71 HA ARG 71 -1.498 -8.541 -8.447 458 HB2 ARG 71 HB2 ARG 71 -1.218 -5.888 -6.931 459 HB3 ARG 71 HB3 ARG 71 0.091 -7.055 -7.174 460 HG2 ARG 71 HG2 ARG 71 0.021 -6.756 -9.564 461 HG3 ARG 71 HG3 ARG 71 -1.401 -5.721 -9.485 462 HD2 ARG 71 HD2 ARG 71 -0.214 -4.004 -8.247 463 HD3 ARG 71 HD3 ARG 71 1.248 -4.968 -8.264 464 HE ARG 71 HE ARG 71 0.123 -3.386 -10.451 465 HH11 ARG 71 HH11 ARG 71 2.177 -6.254 -9.966 466 HH12 ARG 71 HH12 ARG 71 2.503 -6.341 -11.678 467 HH21 ARG 71 HH21 ARG 71 0.723 -3.605 -12.602 468 HH22 ARG 71 HH22 ARG 71 1.824 -4.898 -13.020 469 H GLN 72 H GLN 72 -0.514 -9.609 -6.643 470 HA GLN 72 HA GLN 72 -2.179 -10.022 -4.288 471 HB2 GLN 72 HB2 GLN 72 0.456 -11.056 -5.228 472 HB3 GLN 72 HB3 GLN 72 0.228 -11.036 -3.502 473 HG2 GLN 72 HG2 GLN 72 -1.733 -12.397 -5.385 474 HG3 GLN 72 HG3 GLN 72 -0.374 -13.214 -4.604 475 HE21 GLN 72 HE21 GLN 72 -3.551 -11.797 -4.073 476 HE22 GLN 72 HE22 GLN 72 -3.644 -12.125 -2.345 477 H ALA 73 H ALA 73 -1.741 -9.552 -2.297 478 HA ALA 73 HA ALA 73 0.167 -7.471 -1.396 479 HB1 ALA 73 HB1 ALA 73 -1.645 -6.044 -0.529 480 HB2 ALA 73 HB2 ALA 73 -1.769 -6.195 -2.296 481 HB3 ALA 73 HB3 ALA 73 -2.869 -7.113 -1.248 482 H VAL 74 H VAL 74 0.952 -8.181 0.456 483 HA VAL 74 HA VAL 74 -0.707 -9.720 2.414 484 HB VAL 74 HB VAL 74 2.000 -10.534 1.286 485 HG11 VAL 74 HG11 VAL 74 0.418 -11.740 3.605 486 HG12 VAL 74 HG12 VAL 74 1.839 -12.482 2.841 487 HG13 VAL 74 HG13 VAL 74 2.012 -10.957 3.710 488 HG21 VAL 74 HG21 VAL 74 -0.723 -11.899 1.293 489 HG22 VAL 74 HG22 VAL 74 0.138 -11.268 -0.129 490 HG23 VAL 74 HG23 VAL 74 0.790 -12.657 0.738 491 H LEU 75 H LEU 75 -0.489 -8.866 4.377 492 HA LEU 75 HA LEU 75 1.394 -6.710 4.799 493 HB2 LEU 75 HB2 LEU 75 -0.892 -6.730 5.585 494 HB3 LEU 75 HB3 LEU 75 -0.486 -7.921 6.778 495 HG LEU 75 HG LEU 75 0.953 -6.389 7.999 496 HD11 LEU 75 HD11 LEU 75 1.385 -4.046 7.189 497 HD12 LEU 75 HD12 LEU 75 0.684 -4.473 5.631 498 HD13 LEU 75 HD13 LEU 75 2.187 -5.222 6.159 499 HD21 LEU 75 HD21 LEU 75 -1.174 -4.828 6.598 500 HD22 LEU 75 HD22 LEU 75 -0.518 -4.425 8.229 501 HD23 LEU 75 HD23 LEU 75 -1.484 -5.921 7.998 502 H LYS 76 H LYS 76 3.119 -6.585 6.021 503 HA LYS 76 HA LYS 76 4.275 -9.077 7.168 504 HB2 LYS 76 HB2 LYS 76 5.698 -6.683 5.945 505 HB3 LYS 76 HB3 LYS 76 6.491 -8.030 6.742 506 HG2 LYS 76 HG2 LYS 76 4.842 -8.145 4.181 507 HG3 LYS 76 HG3 LYS 76 6.595 -8.309 4.330 508 HD2 LYS 76 HD2 LYS 76 6.245 -10.388 5.700 509 HD3 LYS 76 HD3 LYS 76 4.496 -10.235 5.403 510 HE2 LYS 76 HE2 LYS 76 4.840 -10.421 2.996 511 HE3 LYS 76 HE3 LYS 76 6.591 -10.560 3.244 512 HZ1 LYS 76 HZ1 LYS 76 5.487 -12.765 3.034 513 HZ2 LYS 76 HZ2 LYS 76 4.604 -12.450 4.395 514 HZ3 LYS 76 HZ3 LYS 76 6.228 -12.586 4.483 515 H GLY 77 H GLY 77 3.701 -5.669 7.872 516 HA2 GLY 77 HA2 GLY 77 2.758 -6.063 10.366 517 HA3 GLY 77 HA3 GLY 77 4.497 -5.889 10.659 518 H MET 78 H MET 78 3.712 -3.989 11.881 519 HA MET 78 HA MET 78 3.003 -1.647 10.262 520 HB2 MET 78 HB2 MET 78 2.779 -2.268 13.223 521 HB3 MET 78 HB3 MET 78 2.580 -0.656 12.547 522 HG2 MET 78 HG2 MET 78 0.386 -1.484 12.626 523 HG3 MET 78 HG3 MET 78 0.869 -1.614 10.947 524 HE1 MET 78 HE1 MET 78 -1.125 -3.130 10.346 525 HE2 MET 78 HE2 MET 78 -1.605 -4.577 11.261 526 HE3 MET 78 HE3 MET 78 -1.716 -2.969 12.014 527 H GLY 79 H GLY 79 3.990 0.279 10.461 528 HA2 GLY 79 HA2 GLY 79 6.909 0.104 10.363 529 HA3 GLY 79 HA3 GLY 79 5.916 1.453 9.840 Start of MODEL 3 1 H GLY 9 H GLY 9 -10.493 4.000 11.084 2 HA2 GLY 9 HA2 GLY 9 -10.460 3.798 14.022 3 HA3 GLY 9 HA3 GLY 9 -9.296 3.119 12.896 4 H THR 10 H THR 10 -7.378 3.834 13.533 5 HA THR 10 HA THR 10 -6.877 6.737 13.716 6 HB THR 10 HB THR 10 -7.148 5.953 15.976 7 HG1 THR 10 HG1 THR 10 -5.766 7.357 16.369 8 HG21 THR 10 HG21 THR 10 -4.704 4.195 15.487 9 HG22 THR 10 HG22 THR 10 -6.358 3.609 15.777 10 HG23 THR 10 HG23 THR 10 -5.494 4.489 17.049 11 H LEU 11 H LEU 11 -4.897 7.451 13.221 12 HA LEU 11 HA LEU 11 -3.830 6.210 10.938 13 HB2 LEU 11 HB2 LEU 11 -3.879 8.753 11.846 14 HB3 LEU 11 HB3 LEU 11 -2.266 8.306 12.369 15 HG LEU 11 HG LEU 11 -2.279 9.605 10.330 16 HD11 LEU 11 HD11 LEU 11 -0.458 7.920 10.713 17 HD12 LEU 11 HD12 LEU 11 -0.738 8.430 9.045 18 HD13 LEU 11 HD13 LEU 11 -1.317 6.836 9.587 19 HD21 LEU 11 HD21 LEU 11 -4.319 8.992 9.279 20 HD22 LEU 11 HD22 LEU 11 -3.840 7.295 9.156 21 HD23 LEU 11 HD23 LEU 11 -3.011 8.489 8.182 22 H CYS 12 H CYS 12 -2.256 4.971 10.522 23 HA CYS 12 HA CYS 12 -0.048 4.270 12.379 24 HB2 CYS 12 HB2 CYS 12 -2.154 2.338 11.303 25 HB3 CYS 12 HB3 CYS 12 -0.656 1.835 12.102 26 HG CYS 12 HG CYS 12 -3.234 3.554 13.259 27 H THR 13 H THR 13 1.807 3.647 11.262 28 HA THR 13 HA THR 13 1.923 3.436 8.326 29 HB THR 13 HB THR 13 3.970 2.575 10.414 30 HG1 THR 13 HG1 THR 13 4.756 4.542 10.355 31 HG21 THR 13 HG21 THR 13 5.597 3.024 8.590 32 HG22 THR 13 HG22 THR 13 4.254 3.376 7.482 33 HG23 THR 13 HG23 THR 13 4.469 1.735 8.138 34 H LEU 14 H LEU 14 1.103 1.713 7.295 35 HA LEU 14 HA LEU 14 1.576 -1.041 8.394 36 HB2 LEU 14 HB2 LEU 14 -0.382 0.136 6.419 37 HB3 LEU 14 HB3 LEU 14 0.019 -1.578 6.408 38 HG LEU 14 HG LEU 14 -0.970 -2.032 8.461 39 HD11 LEU 14 HD11 LEU 14 -0.154 -0.263 9.877 40 HD12 LEU 14 HD12 LEU 14 -1.903 -0.368 10.011 41 HD13 LEU 14 HD13 LEU 14 -1.182 0.938 9.044 42 HD21 LEU 14 HD21 LEU 14 -2.585 -1.589 6.651 43 HD22 LEU 14 HD22 LEU 14 -2.655 0.128 7.121 44 HD23 LEU 14 HD23 LEU 14 -3.268 -1.116 8.216 45 H GLU 15 H GLU 15 3.080 -2.275 7.528 46 HA GLU 15 HA GLU 15 4.506 -1.424 5.050 47 HB2 GLU 15 HB2 GLU 15 5.291 -3.373 7.261 48 HB3 GLU 15 HB3 GLU 15 6.288 -2.900 5.877 49 HG2 GLU 15 HG2 GLU 15 6.193 -0.544 6.635 50 HG3 GLU 15 HG3 GLU 15 5.301 -1.033 8.086 51 H PHE 16 H PHE 16 3.604 -2.332 3.269 52 HA PHE 16 HA PHE 16 2.699 -5.197 3.409 53 HB2 PHE 16 HB2 PHE 16 1.941 -2.928 1.553 54 HB3 PHE 16 HB3 PHE 16 1.552 -4.607 1.226 55 HD1 PHE 16 HD1 PHE 16 -0.079 -5.877 2.565 56 HD2 PHE 16 HD2 PHE 16 0.766 -1.719 3.369 57 HE1 PHE 16 HE1 PHE 16 -2.261 -5.651 3.708 58 HE2 PHE 16 HE2 PHE 16 -1.387 -1.532 4.594 59 HZ PHE 16 HZ PHE 16 -2.874 -3.530 4.806 60 H ALA 17 H ALA 17 3.441 -6.739 2.145 61 HA ALA 17 HA ALA 17 5.554 -6.192 0.115 62 HB1 ALA 17 HB1 ALA 17 4.621 -8.769 1.450 63 HB2 ALA 17 HB2 ALA 17 5.936 -8.622 0.251 64 HB3 ALA 17 HB3 ALA 17 6.094 -7.849 1.837 65 H VAL 18 H VAL 18 4.909 -6.104 -1.947 66 HA VAL 18 HA VAL 18 2.361 -7.376 -2.852 67 HB VAL 18 HB VAL 18 1.847 -5.274 -4.130 68 HG11 VAL 18 HG11 VAL 18 0.688 -5.709 -1.979 69 HG12 VAL 18 HG12 VAL 18 1.965 -4.833 -1.110 70 HG13 VAL 18 HG13 VAL 18 0.918 -3.987 -2.263 71 HG21 VAL 18 HG21 VAL 18 4.040 -4.223 -4.114 72 HG22 VAL 18 HG22 VAL 18 2.803 -3.187 -3.369 73 HG23 VAL 18 HG23 VAL 18 3.972 -4.069 -2.351 74 H GLN 19 H GLN 19 2.328 -8.053 -4.972 75 HA GLN 19 HA GLN 19 5.007 -8.509 -6.063 76 HB2 GLN 19 HB2 GLN 19 2.211 -9.377 -6.884 77 HB3 GLN 19 HB3 GLN 19 3.658 -9.839 -7.775 78 HG2 GLN 19 HG2 GLN 19 3.244 -10.445 -4.806 79 HG3 GLN 19 HG3 GLN 19 2.853 -11.555 -6.117 80 HE21 GLN 19 HE21 GLN 19 4.648 -12.203 -7.601 81 HE22 GLN 19 HE22 GLN 19 6.287 -12.262 -6.947 82 H MET 20 H MET 20 5.771 -6.422 -6.717 83 HA MET 20 HA MET 20 5.096 -5.951 -9.554 84 HB2 MET 20 HB2 MET 20 5.276 -3.464 -9.192 85 HB3 MET 20 HB3 MET 20 3.781 -4.208 -8.620 86 HG2 MET 20 HG2 MET 20 4.439 -4.052 -6.347 87 HG3 MET 20 HG3 MET 20 6.114 -3.677 -6.759 88 HE1 MET 20 HE1 MET 20 4.708 -0.526 -4.875 89 HE2 MET 20 HE2 MET 20 3.839 -2.054 -4.787 90 HE3 MET 20 HE3 MET 20 5.623 -2.083 -4.764 91 H THR 21 H THR 21 6.793 -5.224 -10.829 92 HA THR 21 HA THR 21 9.410 -4.634 -9.586 93 HB THR 21 HB THR 21 9.054 -7.109 -9.695 94 HG1 THR 21 HG1 THR 21 11.082 -6.135 -9.542 95 HG21 THR 21 HG21 THR 21 7.989 -7.250 -11.932 96 HG22 THR 21 HG22 THR 21 9.405 -8.295 -11.762 97 HG23 THR 21 HG23 THR 21 9.535 -6.776 -12.674 98 H CYS 22 H CYS 22 7.319 -3.873 -12.160 99 HA CYS 22 HA CYS 22 9.574 -2.336 -13.329 100 HB2 CYS 22 HB2 CYS 22 9.048 -2.728 -15.465 101 HB3 CYS 22 HB3 CYS 22 8.679 -4.273 -14.726 102 H GLN 23 H GLN 23 8.967 -0.317 -14.463 103 HA GLN 23 HA GLN 23 8.231 1.365 -12.332 104 HB2 GLN 23 HB2 GLN 23 8.597 2.104 -15.251 105 HB3 GLN 23 HB3 GLN 23 8.586 3.224 -13.891 106 HG2 GLN 23 HG2 GLN 23 10.650 1.056 -14.428 107 HG3 GLN 23 HG3 GLN 23 10.885 2.798 -14.492 108 HE21 GLN 23 HE21 GLN 23 11.266 0.072 -12.472 109 HE22 GLN 23 HE22 GLN 23 11.300 0.956 -10.929 110 H SER 24 H SER 24 6.156 0.244 -14.890 111 HA SER 24 HA SER 24 4.067 2.239 -14.545 112 HB2 SER 24 HB2 SER 24 3.977 -0.498 -15.876 113 HB3 SER 24 HB3 SER 24 2.805 0.816 -16.071 114 HG SER 24 HG SER 24 5.468 0.575 -16.959 115 H CYS 25 H CYS 25 4.817 -0.670 -12.770 116 HA CYS 25 HA CYS 25 2.095 -0.994 -11.698 117 HB2 CYS 25 HB2 CYS 25 4.773 -2.257 -11.036 118 HB3 CYS 25 HB3 CYS 25 3.206 -2.693 -10.345 119 H VAL 26 H VAL 26 5.280 0.185 -10.582 120 HA VAL 26 HA VAL 26 4.879 1.099 -8.019 121 HB VAL 26 HB VAL 26 6.318 2.957 -9.943 122 HG11 VAL 26 HG11 VAL 26 8.030 2.926 -8.252 123 HG12 VAL 26 HG12 VAL 26 6.480 3.213 -7.424 124 HG13 VAL 26 HG13 VAL 26 7.243 1.594 -7.400 125 HG21 VAL 26 HG21 VAL 26 8.218 1.463 -10.033 126 HG22 VAL 26 HG22 VAL 26 7.185 0.160 -9.348 127 HG23 VAL 26 HG23 VAL 26 6.797 0.885 -10.913 128 H ASP 27 H ASP 27 4.290 3.095 -10.952 129 HA ASP 27 HA ASP 27 3.064 5.273 -9.613 130 HB2 ASP 27 HB2 ASP 27 3.968 4.888 -12.092 131 HB3 ASP 27 HB3 ASP 27 2.313 4.452 -12.428 132 H ALA 28 H ALA 28 1.721 2.235 -10.796 133 HA ALA 28 HA ALA 28 -1.062 3.165 -10.712 134 HB1 ALA 28 HB1 ALA 28 0.080 0.352 -10.985 135 HB2 ALA 28 HB2 ALA 28 -1.609 0.833 -11.243 136 HB3 ALA 28 HB3 ALA 28 -0.340 1.461 -12.312 137 H VAL 29 H VAL 29 0.936 0.982 -8.583 138 HA VAL 29 HA VAL 29 -1.165 0.754 -6.688 139 HB VAL 29 HB VAL 29 1.771 0.386 -6.016 140 HG11 VAL 29 HG11 VAL 29 -0.025 0.239 -4.230 141 HG12 VAL 29 HG12 VAL 29 -0.823 -1.011 -5.227 142 HG13 VAL 29 HG13 VAL 29 0.779 -1.320 -4.505 143 HG21 VAL 29 HG21 VAL 29 1.485 -2.017 -6.615 144 HG22 VAL 29 HG22 VAL 29 -0.097 -1.643 -7.340 145 HG23 VAL 29 HG23 VAL 29 1.392 -1.020 -8.045 146 H ARG 30 H ARG 30 1.442 3.199 -7.071 147 HA ARG 30 HA ARG 30 1.005 4.598 -4.559 148 HB2 ARG 30 HB2 ARG 30 1.950 5.425 -7.375 149 HB3 ARG 30 HB3 ARG 30 1.808 6.593 -6.083 150 HG2 ARG 30 HG2 ARG 30 3.493 5.610 -4.774 151 HG3 ARG 30 HG3 ARG 30 3.482 4.107 -5.702 152 HD2 ARG 30 HD2 ARG 30 4.659 5.008 -7.520 153 HD3 ARG 30 HD3 ARG 30 4.232 6.680 -7.087 154 HE ARG 30 HE ARG 30 5.737 5.785 -4.931 155 HH11 ARG 30 HH11 ARG 30 6.401 6.230 -8.358 156 HH12 ARG 30 HH12 ARG 30 8.092 6.482 -8.057 157 HH21 ARG 30 HH21 ARG 30 7.792 6.163 -4.631 158 HH22 ARG 30 HH22 ARG 30 8.927 6.268 -5.954 159 H LYS 31 H LYS 31 -0.558 4.863 -7.781 160 HA LYS 31 HA LYS 31 -2.244 7.056 -6.962 161 HB2 LYS 31 HB2 LYS 31 -2.081 5.338 -9.440 162 HB3 LYS 31 HB3 LYS 31 -3.323 6.605 -9.214 163 HG2 LYS 31 HG2 LYS 31 -1.705 8.267 -8.722 164 HG3 LYS 31 HG3 LYS 31 -0.362 7.104 -8.696 165 HD2 LYS 31 HD2 LYS 31 -0.544 6.830 -11.123 166 HD3 LYS 31 HD3 LYS 31 -1.919 7.989 -11.155 167 HE2 LYS 31 HE2 LYS 31 -0.553 9.688 -10.026 168 HE3 LYS 31 HE3 LYS 31 0.778 8.554 -9.848 169 HZ1 LYS 31 HZ1 LYS 31 1.097 8.516 -12.233 170 HZ2 LYS 31 HZ2 LYS 31 1.041 10.107 -11.805 171 HZ3 LYS 31 HZ3 LYS 31 -0.255 9.418 -12.505 172 H SER 32 H SER 32 -2.727 3.621 -6.768 173 HA SER 32 HA SER 32 -5.510 3.874 -5.936 174 HB2 SER 32 HB2 SER 32 -4.376 1.793 -6.858 175 HB3 SER 32 HB3 SER 32 -3.628 1.609 -5.253 176 HG SER 32 HG SER 32 -5.812 1.764 -4.417 177 H LEU 33 H LEU 33 -2.807 5.088 -4.440 178 HA LEU 33 HA LEU 33 -4.084 4.991 -1.730 179 HB2 LEU 33 HB2 LEU 33 -1.209 5.732 -2.314 180 HB3 LEU 33 HB3 LEU 33 -1.945 5.347 -0.762 181 HG LEU 33 HG LEU 33 -1.588 3.295 -2.957 182 HD11 LEU 33 HD11 LEU 33 0.308 3.758 -0.641 183 HD12 LEU 33 HD12 LEU 33 0.627 4.248 -2.320 184 HD13 LEU 33 HD13 LEU 33 0.433 2.535 -1.922 185 HD21 LEU 33 HD21 LEU 33 -1.725 1.680 -1.214 186 HD22 LEU 33 HD22 LEU 33 -3.181 2.694 -1.213 187 HD23 LEU 33 HD23 LEU 33 -1.911 2.949 0.023 188 H GLN 34 H GLN 34 -2.558 7.021 -4.227 189 HA GLN 34 HA GLN 34 -2.526 9.471 -2.841 190 HB2 GLN 34 HB2 GLN 34 -2.486 8.604 -5.703 191 HB3 GLN 34 HB3 GLN 34 -2.623 10.299 -5.452 192 HG2 GLN 34 HG2 GLN 34 -0.560 10.428 -4.211 193 HG3 GLN 34 HG3 GLN 34 -0.461 8.679 -4.082 194 HE21 GLN 34 HE21 GLN 34 1.795 9.103 -5.062 195 HE22 GLN 34 HE22 GLN 34 1.824 9.042 -6.834 196 H GLY 35 H GLY 35 -3.850 10.860 -2.301 197 HA2 GLY 35 HA2 GLY 35 -5.787 12.077 -1.913 198 HA3 GLY 35 HA3 GLY 35 -6.359 11.568 -3.502 199 H VAL 36 H VAL 36 -5.776 8.836 -1.395 200 HA VAL 36 HA VAL 36 -8.626 8.264 -1.445 201 HB VAL 36 HB VAL 36 -6.262 6.675 -0.403 202 HG11 VAL 36 HG11 VAL 36 -8.236 5.974 0.860 203 HG12 VAL 36 HG12 VAL 36 -9.190 5.861 -0.642 204 HG13 VAL 36 HG13 VAL 36 -7.834 4.751 -0.345 205 HG21 VAL 36 HG21 VAL 36 -8.046 6.349 -2.865 206 HG22 VAL 36 HG22 VAL 36 -6.373 6.933 -2.886 207 HG23 VAL 36 HG23 VAL 36 -6.719 5.273 -2.390 208 H ALA 37 H ALA 37 -10.001 8.550 0.061 209 HA ALA 37 HA ALA 37 -9.557 10.035 2.443 210 HB1 ALA 37 HB1 ALA 37 -11.884 8.228 1.683 211 HB2 ALA 37 HB2 ALA 37 -11.894 9.434 2.990 212 HB3 ALA 37 HB3 ALA 37 -11.716 9.956 1.304 213 H GLY 38 H GLY 38 -8.545 9.484 4.212 214 HA2 GLY 38 HA2 GLY 38 -8.308 8.206 6.244 215 HA3 GLY 38 HA3 GLY 38 -8.670 6.724 5.361 216 H VAL 39 H VAL 39 -6.602 8.382 3.304 217 HA VAL 39 HA VAL 39 -4.119 7.218 4.508 218 HB VAL 39 HB VAL 39 -4.770 8.010 1.653 219 HG11 VAL 39 HG11 VAL 39 -2.594 6.923 1.098 220 HG12 VAL 39 HG12 VAL 39 -2.368 8.360 2.086 221 HG13 VAL 39 HG13 VAL 39 -2.241 6.748 2.833 222 HG21 VAL 39 HG21 VAL 39 -4.560 5.585 1.185 223 HG22 VAL 39 HG22 VAL 39 -4.342 5.263 2.919 224 HG23 VAL 39 HG23 VAL 39 -5.882 5.908 2.307 225 H GLN 40 H GLN 40 -2.558 8.547 5.244 226 HA GLN 40 HA GLN 40 -2.786 11.478 4.731 227 HB2 GLN 40 HB2 GLN 40 -1.586 9.822 6.975 228 HB3 GLN 40 HB3 GLN 40 -1.272 11.529 6.782 229 HG2 GLN 40 HG2 GLN 40 -4.058 10.324 7.115 230 HG3 GLN 40 HG3 GLN 40 -3.103 11.053 8.407 231 HE21 GLN 40 HE21 GLN 40 -2.811 13.343 8.447 232 HE22 GLN 40 HE22 GLN 40 -3.866 14.386 7.482 233 H ASP 41 H ASP 41 -0.394 8.802 4.744 234 HA ASP 41 HA ASP 41 1.289 10.308 2.864 235 HB2 ASP 41 HB2 ASP 41 2.378 9.250 5.501 236 HB3 ASP 41 HB3 ASP 41 3.353 9.796 4.193 237 H VAL 42 H VAL 42 2.874 8.928 1.876 238 HA VAL 42 HA VAL 42 2.755 6.006 2.288 239 HB VAL 42 HB VAL 42 2.440 5.507 -0.023 240 HG11 VAL 42 HG11 VAL 42 0.176 7.316 0.889 241 HG12 VAL 42 HG12 VAL 42 0.094 6.052 -0.327 242 HG13 VAL 42 HG13 VAL 42 0.414 5.615 1.361 243 HG21 VAL 42 HG21 VAL 42 3.313 7.505 -1.162 244 HG22 VAL 42 HG22 VAL 42 1.716 7.062 -1.751 245 HG23 VAL 42 HG23 VAL 42 1.892 8.425 -0.622 246 H GLU 43 H GLU 43 4.500 4.834 1.294 247 HA GLU 43 HA GLU 43 6.455 6.295 -0.319 248 HB2 GLU 43 HB2 GLU 43 7.317 6.725 1.945 249 HB3 GLU 43 HB3 GLU 43 7.371 5.005 2.291 250 HG2 GLU 43 HG2 GLU 43 9.099 4.660 0.615 251 HG3 GLU 43 HG3 GLU 43 8.866 6.282 -0.031 252 H VAL 44 H VAL 44 6.829 5.012 -2.047 253 HA VAL 44 HA VAL 44 6.483 2.062 -1.745 254 HB VAL 44 HB VAL 44 6.193 3.889 -4.139 255 HG11 VAL 44 HG11 VAL 44 5.896 1.831 -5.507 256 HG12 VAL 44 HG12 VAL 44 7.580 2.099 -5.037 257 HG13 VAL 44 HG13 VAL 44 6.605 0.862 -4.197 258 HG21 VAL 44 HG21 VAL 44 4.261 3.350 -2.683 259 HG22 VAL 44 HG22 VAL 44 4.085 2.604 -4.290 260 HG23 VAL 44 HG23 VAL 44 4.620 1.624 -2.937 261 H HIS 45 H HIS 45 7.984 0.632 -1.971 262 HA HIS 45 HA HIS 45 10.659 1.428 -3.047 263 HB2 HIS 45 HB2 HIS 45 9.903 -0.491 -0.835 264 HB3 HIS 45 HB3 HIS 45 11.508 -0.427 -1.581 265 HD1 HIS 45 HD1 HIS 45 13.230 1.030 -0.442 266 HD2 HIS 45 HD2 HIS 45 9.248 1.955 0.575 267 HE1 HIS 45 HE1 HIS 45 13.355 2.843 1.348 268 H LEU 46 H LEU 46 10.366 0.740 -5.145 269 HA LEU 46 HA LEU 46 9.011 -1.702 -5.906 270 HB2 LEU 46 HB2 LEU 46 9.328 0.435 -7.208 271 HB3 LEU 46 HB3 LEU 46 11.014 0.068 -7.401 272 HG LEU 46 HG LEU 46 9.462 -0.361 -9.345 273 HD11 LEU 46 HD11 LEU 46 11.775 -1.247 -9.146 274 HD12 LEU 46 HD12 LEU 46 10.684 -2.131 -10.216 275 HD13 LEU 46 HD13 LEU 46 11.080 -2.789 -8.617 276 HD21 LEU 46 HD21 LEU 46 8.182 -2.368 -9.489 277 HD22 LEU 46 HD22 LEU 46 7.680 -1.572 -7.989 278 HD23 LEU 46 HD23 LEU 46 8.780 -2.958 -7.922 279 H GLU 47 H GLU 47 12.322 -0.777 -5.247 280 HA GLU 47 HA GLU 47 13.622 -3.255 -5.996 281 HB2 GLU 47 HB2 GLU 47 14.331 -0.739 -4.505 282 HB3 GLU 47 HB3 GLU 47 15.305 -2.166 -4.170 283 HG2 GLU 47 HG2 GLU 47 16.325 -0.842 -5.942 284 HG3 GLU 47 HG3 GLU 47 15.868 -2.458 -6.474 285 H ASP 48 H ASP 48 12.000 -2.364 -2.914 286 HA ASP 48 HA ASP 48 12.795 -4.917 -1.769 287 HB2 ASP 48 HB2 ASP 48 11.214 -2.478 -0.890 288 HB3 ASP 48 HB3 ASP 48 11.215 -3.924 0.020 289 H GLN 49 H GLN 49 10.457 -3.887 -3.971 290 HA GLN 49 HA GLN 49 8.290 -4.270 -4.479 291 HB2 GLN 49 HB2 GLN 49 8.664 -7.057 -3.352 292 HB3 GLN 49 HB3 GLN 49 7.513 -6.518 -4.555 293 HG2 GLN 49 HG2 GLN 49 8.947 -7.411 -6.035 294 HG3 GLN 49 HG3 GLN 49 9.618 -5.801 -5.971 295 HE21 GLN 49 HE21 GLN 49 11.514 -6.988 -6.919 296 HE22 GLN 49 HE22 GLN 49 12.516 -8.018 -5.900 297 H MET 50 H MET 50 8.624 -2.875 -2.203 298 HA MET 50 HA MET 50 6.557 -3.883 -0.334 299 HB2 MET 50 HB2 MET 50 8.731 -4.196 0.652 300 HB3 MET 50 HB3 MET 50 9.194 -2.525 0.294 301 HG2 MET 50 HG2 MET 50 7.916 -1.615 1.979 302 HG3 MET 50 HG3 MET 50 6.782 -2.960 2.030 303 HE1 MET 50 HE1 MET 50 8.015 -5.513 2.420 304 HE2 MET 50 HE2 MET 50 8.260 -5.630 4.173 305 HE3 MET 50 HE3 MET 50 6.774 -4.888 3.538 306 H VAL 51 H VAL 51 5.239 -2.311 0.716 307 HA VAL 51 HA VAL 51 5.487 0.517 -0.171 308 HB VAL 51 HB VAL 51 2.824 -0.974 -0.093 309 HG11 VAL 51 HG11 VAL 51 3.823 1.750 -0.939 310 HG12 VAL 51 HG12 VAL 51 2.359 1.067 -1.676 311 HG13 VAL 51 HG13 VAL 51 2.443 1.349 0.088 312 HG21 VAL 51 HG21 VAL 51 4.637 -0.443 -2.475 313 HG22 VAL 51 HG22 VAL 51 4.089 -1.987 -1.857 314 HG23 VAL 51 HG23 VAL 51 2.911 -0.897 -2.589 315 H LEU 52 H LEU 52 5.365 1.922 1.394 316 HA LEU 52 HA LEU 52 4.252 1.239 4.069 317 HB2 LEU 52 HB2 LEU 52 5.768 3.677 3.019 318 HB3 LEU 52 HB3 LEU 52 5.099 3.535 4.622 319 HG LEU 52 HG LEU 52 6.661 1.423 4.848 320 HD11 LEU 52 HD11 LEU 52 8.077 2.844 2.570 321 HD12 LEU 52 HD12 LEU 52 7.431 1.189 2.539 322 HD13 LEU 52 HD13 LEU 52 8.776 1.586 3.605 323 HD21 LEU 52 HD21 LEU 52 6.937 3.570 6.061 324 HD22 LEU 52 HD22 LEU 52 7.807 4.245 4.664 325 HD23 LEU 52 HD23 LEU 52 8.498 2.896 5.583 326 H VAL 53 H VAL 53 2.359 1.950 4.711 327 HA VAL 53 HA VAL 53 0.959 4.094 3.179 328 HB VAL 53 HB VAL 53 -0.318 1.473 4.035 329 HG11 VAL 53 HG11 VAL 53 -1.356 3.811 2.347 330 HG12 VAL 53 HG12 VAL 53 -2.261 2.336 2.753 331 HG13 VAL 53 HG13 VAL 53 -1.821 3.481 4.024 332 HG21 VAL 53 HG21 VAL 53 -0.617 1.037 1.598 333 HG22 VAL 53 HG22 VAL 53 0.480 2.398 1.259 334 HG23 VAL 53 HG23 VAL 53 1.064 0.961 2.128 335 H HIS 54 H HIS 54 0.906 5.666 4.644 336 HA HIS 54 HA HIS 54 0.491 5.115 7.506 337 HB2 HIS 54 HB2 HIS 54 0.889 7.725 6.046 338 HB3 HIS 54 HB3 HIS 54 0.929 7.514 7.767 339 HD1 HIS 54 HD1 HIS 54 3.230 6.835 8.836 340 HD2 HIS 54 HD2 HIS 54 3.008 6.372 4.672 341 HE1 HIS 54 HE1 HIS 54 5.600 6.354 8.035 342 H THR 55 H THR 55 -1.642 4.496 7.849 343 HA THR 55 HA THR 55 -3.832 6.231 6.827 344 HB THR 55 HB THR 55 -3.420 4.641 5.063 345 HG1 THR 55 HG1 THR 55 -5.590 5.185 5.645 346 HG21 THR 55 HG21 THR 55 -4.055 2.397 7.030 347 HG22 THR 55 HG22 THR 55 -2.432 2.753 6.397 348 HG23 THR 55 HG23 THR 55 -3.719 2.252 5.292 349 H THR 56 H THR 56 -5.910 5.926 7.747 350 HA THR 56 HA THR 56 -5.927 4.904 10.507 351 HB THR 56 HB THR 56 -8.094 5.983 10.693 352 HG1 THR 56 HG1 THR 56 -8.779 7.183 8.779 353 HG21 THR 56 HG21 THR 56 -7.491 8.256 10.423 354 HG22 THR 56 HG22 THR 56 -6.385 7.902 9.078 355 HG23 THR 56 HG23 THR 56 -5.971 7.412 10.736 356 H LEU 57 H LEU 57 -6.776 3.670 7.447 357 HA LEU 57 HA LEU 57 -9.124 2.165 8.104 358 HB2 LEU 57 HB2 LEU 57 -7.059 1.849 5.889 359 HB3 LEU 57 HB3 LEU 57 -8.634 1.074 5.882 360 HG LEU 57 HG LEU 57 -8.051 4.068 5.696 361 HD11 LEU 57 HD11 LEU 57 -9.036 3.847 3.471 362 HD12 LEU 57 HD12 LEU 57 -9.307 2.102 3.745 363 HD13 LEU 57 HD13 LEU 57 -7.653 2.756 3.652 364 HD21 LEU 57 HD21 LEU 57 -10.507 4.332 5.312 365 HD22 LEU 57 HD22 LEU 57 -10.107 3.871 6.965 366 HD23 LEU 57 HD23 LEU 57 -10.739 2.649 5.839 367 HA PRO 58 HA PRO 58 -7.336 -1.475 9.991 368 HB2 PRO 58 HB2 PRO 58 -9.295 -3.194 8.531 369 HB3 PRO 58 HB3 PRO 58 -9.089 -2.987 10.289 370 HG2 PRO 58 HG2 PRO 58 -11.240 -1.921 8.962 371 HG3 PRO 58 HG3 PRO 58 -10.403 -0.947 10.221 372 HD2 PRO 58 HD2 PRO 58 -9.842 -0.957 7.251 373 HD3 PRO 58 HD3 PRO 58 -10.341 0.431 8.180 374 H SER 59 H SER 59 -5.733 -3.057 9.373 375 HA SER 59 HA SER 59 -4.677 -2.741 6.821 376 HB2 SER 59 HB2 SER 59 -3.987 -5.251 8.296 377 HB3 SER 59 HB3 SER 59 -2.975 -4.081 7.407 378 HG SER 59 HG SER 59 -3.809 -4.121 10.050 379 H GLN 60 H GLN 60 -7.136 -5.030 7.746 380 HA GLN 60 HA GLN 60 -6.973 -6.765 5.448 381 HB2 GLN 60 HB2 GLN 60 -9.558 -6.197 6.893 382 HB3 GLN 60 HB3 GLN 60 -9.013 -7.650 6.077 383 HG2 GLN 60 HG2 GLN 60 -8.766 -8.288 8.281 384 HG3 GLN 60 HG3 GLN 60 -7.142 -7.740 7.923 385 HE21 GLN 60 HE21 GLN 60 -6.542 -6.989 10.024 386 HE22 GLN 60 HE22 GLN 60 -7.549 -5.870 10.928 387 H GLU 61 H GLU 61 -8.470 -3.549 5.974 388 HA GLU 61 HA GLU 61 -10.095 -3.593 3.546 389 HB2 GLU 61 HB2 GLU 61 -10.535 -2.285 5.676 390 HB3 GLU 61 HB3 GLU 61 -9.170 -1.235 5.237 391 HG2 GLU 61 HG2 GLU 61 -10.306 -0.578 3.176 392 HG3 GLU 61 HG3 GLU 61 -11.639 -1.681 3.563 393 H VAL 62 H VAL 62 -6.917 -2.265 4.581 394 HA VAL 62 HA VAL 62 -6.309 -1.025 2.088 395 HB VAL 62 HB VAL 62 -4.219 -2.079 4.022 396 HG11 VAL 62 HG11 VAL 62 -3.030 -0.028 3.369 397 HG12 VAL 62 HG12 VAL 62 -3.558 -0.879 1.911 398 HG13 VAL 62 HG13 VAL 62 -4.461 0.537 2.473 399 HG21 VAL 62 HG21 VAL 62 -5.643 -1.106 5.603 400 HG22 VAL 62 HG22 VAL 62 -4.346 0.012 5.333 401 HG23 VAL 62 HG23 VAL 62 -5.937 0.333 4.584 402 H GLN 63 H GLN 63 -5.533 -4.279 3.448 403 HA GLN 63 HA GLN 63 -3.854 -5.212 1.378 404 HB2 GLN 63 HB2 GLN 63 -4.254 -6.449 3.466 405 HB3 GLN 63 HB3 GLN 63 -5.936 -6.708 3.035 406 HG2 GLN 63 HG2 GLN 63 -5.315 -8.119 1.143 407 HG3 GLN 63 HG3 GLN 63 -3.608 -7.701 1.343 408 HE21 GLN 63 HE21 GLN 63 -3.130 -10.012 1.485 409 HE22 GLN 63 HE22 GLN 63 -3.497 -10.910 2.948 410 H ALA 64 H ALA 64 -7.458 -5.149 1.482 411 HA ALA 64 HA ALA 64 -7.606 -6.490 -1.102 412 HB1 ALA 64 HB1 ALA 64 -9.677 -5.205 0.726 413 HB2 ALA 64 HB2 ALA 64 -10.057 -6.081 -0.777 414 HB3 ALA 64 HB3 ALA 64 -9.277 -6.927 0.576 415 H LEU 65 H LEU 65 -7.629 -3.096 0.088 416 HA LEU 65 HA LEU 65 -8.373 -1.878 -2.346 417 HB2 LEU 65 HB2 LEU 65 -6.821 -0.961 0.041 418 HB3 LEU 65 HB3 LEU 65 -6.955 0.061 -1.368 419 HG LEU 65 HG LEU 65 -9.400 -1.063 0.058 420 HD11 LEU 65 HD11 LEU 65 -9.626 1.152 1.074 421 HD12 LEU 65 HD12 LEU 65 -8.080 1.663 0.351 422 HD13 LEU 65 HD13 LEU 65 -8.120 0.380 1.587 423 HD21 LEU 65 HD21 LEU 65 -9.037 1.181 -1.970 424 HD22 LEU 65 HD22 LEU 65 -10.541 0.816 -1.098 425 HD23 LEU 65 HD23 LEU 65 -9.881 -0.363 -2.227 426 H LEU 66 H LEU 66 -5.206 -2.780 -1.059 427 HA LEU 66 HA LEU 66 -3.555 -2.039 -3.287 428 HB2 LEU 66 HB2 LEU 66 -3.285 -4.040 -1.006 429 HB3 LEU 66 HB3 LEU 66 -1.987 -3.738 -2.145 430 HG LEU 66 HG LEU 66 -3.201 -1.422 -0.590 431 HD11 LEU 66 HD11 LEU 66 -2.604 -3.063 1.120 432 HD12 LEU 66 HD12 LEU 66 -1.431 -1.753 1.111 433 HD13 LEU 66 HD13 LEU 66 -1.011 -3.311 0.363 434 HD21 LEU 66 HD21 LEU 66 -0.928 -0.498 -0.880 435 HD22 LEU 66 HD22 LEU 66 -1.677 -0.875 -2.439 436 HD23 LEU 66 HD23 LEU 66 -0.436 -1.955 -1.759 437 H GLU 67 H GLU 67 -5.162 -5.150 -2.416 438 HA GLU 67 HA GLU 67 -4.259 -6.608 -4.678 439 HB2 GLU 67 HB2 GLU 67 -6.574 -6.821 -2.771 440 HB3 GLU 67 HB3 GLU 67 -6.574 -7.854 -4.138 441 HG2 GLU 67 HG2 GLU 67 -3.971 -8.227 -3.237 442 HG3 GLU 67 HG3 GLU 67 -4.821 -7.923 -1.733 443 H GLY 68 H GLY 68 -7.018 -4.399 -4.391 444 HA2 GLY 68 HA2 GLY 68 -8.176 -4.872 -6.969 445 HA3 GLY 68 HA3 GLY 68 -8.365 -3.425 -5.976 446 H THR 69 H THR 69 -5.113 -3.566 -6.333 447 HA THR 69 HA THR 69 -4.978 -1.883 -8.750 448 HB THR 69 HB THR 69 -2.655 -1.540 -8.253 449 HG1 THR 69 HG1 THR 69 -2.828 -3.401 -6.160 450 HG21 THR 69 HG21 THR 69 -4.109 -1.602 -5.595 451 HG22 THR 69 HG22 THR 69 -4.389 -0.424 -6.880 452 HG23 THR 69 HG23 THR 69 -2.793 -0.538 -6.124 453 H GLY 70 H GLY 70 -5.140 -5.214 -8.233 454 HA2 GLY 70 HA2 GLY 70 -5.353 -6.721 -10.014 455 HA3 GLY 70 HA3 GLY 70 -4.301 -5.739 -11.030 456 H ARG 71 H ARG 71 -3.392 -6.724 -7.735 457 HA ARG 71 HA ARG 71 -1.655 -8.941 -8.598 458 HB2 ARG 71 HB2 ARG 71 0.351 -7.851 -7.541 459 HB3 ARG 71 HB3 ARG 71 -0.201 -7.090 -9.019 460 HG2 ARG 71 HG2 ARG 71 -1.417 -5.358 -7.601 461 HG3 ARG 71 HG3 ARG 71 -0.736 -6.115 -6.164 462 HD2 ARG 71 HD2 ARG 71 0.512 -4.111 -6.814 463 HD3 ARG 71 HD3 ARG 71 1.508 -5.568 -6.907 464 HE ARG 71 HE ARG 71 1.798 -5.218 -9.183 465 HH11 ARG 71 HH11 ARG 71 -1.129 -3.350 -8.437 466 HH12 ARG 71 HH12 ARG 71 -1.197 -2.862 -10.133 467 HH21 ARG 71 HH21 ARG 71 1.568 -4.473 -11.160 468 HH22 ARG 71 HH22 ARG 71 0.227 -3.380 -11.526 469 H GLN 72 H GLN 72 -0.489 -9.827 -6.657 470 HA GLN 72 HA GLN 72 -2.279 -10.009 -4.352 471 HB2 GLN 72 HB2 GLN 72 -0.333 -11.694 -5.493 472 HB3 GLN 72 HB3 GLN 72 0.328 -11.276 -3.936 473 HG2 GLN 72 HG2 GLN 72 -2.505 -12.355 -4.357 474 HG3 GLN 72 HG3 GLN 72 -1.100 -13.378 -4.058 475 HE21 GLN 72 HE21 GLN 72 -3.424 -11.191 -2.535 476 HE22 GLN 72 HE22 GLN 72 -2.728 -11.316 -0.924 477 H ALA 73 H ALA 73 -1.624 -9.764 -2.283 478 HA ALA 73 HA ALA 73 0.371 -7.752 -1.430 479 HB1 ALA 73 HB1 ALA 73 -1.589 -6.416 -2.277 480 HB2 ALA 73 HB2 ALA 73 -2.636 -7.278 -1.134 481 HB3 ALA 73 HB3 ALA 73 -1.337 -6.235 -0.526 482 H VAL 74 H VAL 74 1.088 -8.198 0.523 483 HA VAL 74 HA VAL 74 -0.585 -9.593 2.571 484 HB VAL 74 HB VAL 74 2.244 -10.326 1.703 485 HG11 VAL 74 HG11 VAL 74 2.135 -12.072 3.486 486 HG12 VAL 74 HG12 VAL 74 2.151 -10.447 4.160 487 HG13 VAL 74 HG13 VAL 74 0.622 -11.359 4.081 488 HG21 VAL 74 HG21 VAL 74 1.275 -12.581 1.359 489 HG22 VAL 74 HG22 VAL 74 -0.338 -11.949 1.768 490 HG23 VAL 74 HG23 VAL 74 0.518 -11.374 0.320 491 H LEU 75 H LEU 75 -0.408 -8.633 4.536 492 HA LEU 75 HA LEU 75 1.393 -6.304 4.846 493 HB2 LEU 75 HB2 LEU 75 -0.923 -6.166 5.550 494 HB3 LEU 75 HB3 LEU 75 -0.771 -7.536 6.561 495 HG LEU 75 HG LEU 75 -0.884 -5.228 7.574 496 HD11 LEU 75 HD11 LEU 75 1.285 -7.025 8.574 497 HD12 LEU 75 HD12 LEU 75 -0.451 -7.051 8.951 498 HD13 LEU 75 HD13 LEU 75 0.525 -5.675 9.454 499 HD21 LEU 75 HD21 LEU 75 0.753 -4.106 6.114 500 HD22 LEU 75 HD22 LEU 75 2.003 -4.844 7.142 501 HD23 LEU 75 HD23 LEU 75 0.809 -3.757 7.851 502 H LYS 76 H LYS 76 3.107 -6.202 5.926 503 HA LYS 76 HA LYS 76 4.356 -8.701 7.037 504 HB2 LYS 76 HB2 LYS 76 5.644 -6.118 6.101 505 HB3 LYS 76 HB3 LYS 76 6.481 -7.524 6.716 506 HG2 LYS 76 HG2 LYS 76 4.754 -7.510 4.202 507 HG3 LYS 76 HG3 LYS 76 6.486 -7.279 4.211 508 HD2 LYS 76 HD2 LYS 76 5.050 -9.809 5.104 509 HD3 LYS 76 HD3 LYS 76 5.848 -9.566 3.563 510 HE2 LYS 76 HE2 LYS 76 7.167 -9.747 6.293 511 HE3 LYS 76 HE3 LYS 76 7.260 -10.898 4.956 512 HZ1 LYS 76 HZ1 LYS 76 8.495 -8.217 5.121 513 HZ2 LYS 76 HZ2 LYS 76 8.378 -9.000 3.676 514 HZ3 LYS 76 HZ3 LYS 76 9.249 -9.638 4.919 515 H GLY 77 H GLY 77 3.372 -5.491 8.017 516 HA2 GLY 77 HA2 GLY 77 2.665 -5.969 10.479 517 HA3 GLY 77 HA3 GLY 77 4.412 -5.811 10.751 518 H MET 78 H MET 78 3.410 -4.126 12.154 519 HA MET 78 HA MET 78 2.711 -1.610 10.784 520 HB2 MET 78 HB2 MET 78 2.363 -2.585 13.639 521 HB3 MET 78 HB3 MET 78 2.041 -0.938 13.093 522 HG2 MET 78 HG2 MET 78 -0.060 -2.000 12.987 523 HG3 MET 78 HG3 MET 78 0.504 -1.881 11.331 524 HE1 MET 78 HE1 MET 78 -1.034 -3.487 10.283 525 HE2 MET 78 HE2 MET 78 -1.470 -5.085 10.916 526 HE3 MET 78 HE3 MET 78 -1.918 -3.621 11.823 527 H GLY 79 H GLY 79 4.044 -0.025 10.542 528 HA2 GLY 79 HA2 GLY 79 6.814 -0.245 11.362 529 HA3 GLY 79 HA3 GLY 79 6.103 1.047 10.405 Start of MODEL 4 1 H GLY 9 H GLY 9 -9.585 3.264 11.146 2 HA2 GLY 9 HA2 GLY 9 -9.796 3.280 14.087 3 HA3 GLY 9 HA3 GLY 9 -8.460 2.704 13.088 4 H THR 10 H THR 10 -6.722 3.772 13.598 5 HA THR 10 HA THR 10 -6.683 6.721 13.720 6 HB THR 10 HB THR 10 -6.815 5.936 16.002 7 HG1 THR 10 HG1 THR 10 -5.690 7.651 16.029 8 HG21 THR 10 HG21 THR 10 -5.778 3.705 15.828 9 HG22 THR 10 HG22 THR 10 -4.962 4.691 17.053 10 HG23 THR 10 HG23 THR 10 -4.203 4.449 15.468 11 H LEU 11 H LEU 11 -4.660 7.655 13.303 12 HA LEU 11 HA LEU 11 -3.527 6.512 10.981 13 HB2 LEU 11 HB2 LEU 11 -3.652 9.035 11.904 14 HB3 LEU 11 HB3 LEU 11 -2.033 8.607 12.458 15 HG LEU 11 HG LEU 11 -1.916 9.874 10.452 16 HD11 LEU 11 HD11 LEU 11 -1.153 7.060 9.628 17 HD12 LEU 11 HD12 LEU 11 -0.220 8.042 10.789 18 HD13 LEU 11 HD13 LEU 11 -0.440 8.601 9.130 19 HD21 LEU 11 HD21 LEU 11 -3.981 9.446 9.345 20 HD22 LEU 11 HD22 LEU 11 -3.633 7.718 9.200 21 HD23 LEU 11 HD23 LEU 11 -2.696 8.869 8.256 22 H CYS 12 H CYS 12 -1.993 5.265 10.607 23 HA CYS 12 HA CYS 12 0.332 4.642 12.308 24 HB2 CYS 12 HB2 CYS 12 -1.997 2.770 11.740 25 HB3 CYS 12 HB3 CYS 12 -0.368 2.123 12.015 26 HG CYS 12 HG CYS 12 -1.768 4.353 14.000 27 H THR 13 H THR 13 1.991 3.507 11.125 28 HA THR 13 HA THR 13 1.734 3.477 8.161 29 HB THR 13 HB THR 13 4.106 2.734 9.903 30 HG1 THR 13 HG1 THR 13 4.854 4.753 9.195 31 HG21 THR 13 HG21 THR 13 3.892 3.339 6.912 32 HG22 THR 13 HG22 THR 13 4.201 1.733 7.614 33 HG23 THR 13 HG23 THR 13 5.392 3.021 7.814 34 H LEU 14 H LEU 14 1.008 1.785 7.118 35 HA LEU 14 HA LEU 14 1.395 -1.007 8.164 36 HB2 LEU 14 HB2 LEU 14 -0.573 0.309 6.311 37 HB3 LEU 14 HB3 LEU 14 -0.160 -1.384 6.088 38 HG LEU 14 HG LEU 14 -1.137 -2.103 8.044 39 HD11 LEU 14 HD11 LEU 14 -1.876 -0.765 9.921 40 HD12 LEU 14 HD12 LEU 14 -1.218 0.713 9.171 41 HD13 LEU 14 HD13 LEU 14 -0.148 -0.615 9.697 42 HD21 LEU 14 HD21 LEU 14 -2.829 -1.282 6.448 43 HD22 LEU 14 HD22 LEU 14 -2.776 0.327 7.203 44 HD23 LEU 14 HD23 LEU 14 -3.392 -1.054 8.112 45 H GLU 15 H GLU 15 2.806 -2.304 7.227 46 HA GLU 15 HA GLU 15 4.249 -1.362 4.773 47 HB2 GLU 15 HB2 GLU 15 5.269 -2.878 7.205 48 HB3 GLU 15 HB3 GLU 15 6.184 -2.607 5.707 49 HG2 GLU 15 HG2 GLU 15 5.717 -0.105 6.030 50 HG3 GLU 15 HG3 GLU 15 5.160 -0.508 7.655 51 H PHE 16 H PHE 16 3.233 -2.387 3.158 52 HA PHE 16 HA PHE 16 2.635 -5.310 3.420 53 HB2 PHE 16 HB2 PHE 16 1.614 -3.151 1.530 54 HB3 PHE 16 HB3 PHE 16 1.335 -4.862 1.284 55 HD1 PHE 16 HD2 PHE 16 0.474 -2.024 3.475 56 HD2 PHE 16 HD1 PHE 16 -0.232 -6.157 2.479 57 HE1 PHE 16 HE2 PHE 16 -1.750 -1.902 4.569 58 HE2 PHE 16 HE1 PHE 16 -2.485 -6.026 3.542 59 HZ PHE 16 HZ PHE 16 -3.259 -3.892 4.546 60 H ALA 17 H ALA 17 3.547 -6.752 2.290 61 HA ALA 17 HA ALA 17 5.631 -6.116 0.244 62 HB1 ALA 17 HB1 ALA 17 6.090 -7.942 1.814 63 HB2 ALA 17 HB2 ALA 17 4.591 -8.782 1.311 64 HB3 ALA 17 HB3 ALA 17 5.929 -8.572 0.167 65 H VAL 18 H VAL 18 5.353 -6.505 -1.963 66 HA VAL 18 HA VAL 18 2.685 -7.329 -3.040 67 HB VAL 18 HB VAL 18 2.831 -5.287 -4.573 68 HG11 VAL 18 HG11 VAL 18 2.408 -4.683 -1.611 69 HG12 VAL 18 HG12 VAL 18 1.780 -3.768 -2.989 70 HG13 VAL 18 HG13 VAL 18 1.209 -5.417 -2.701 71 HG21 VAL 18 HG21 VAL 18 4.025 -3.379 -3.795 72 HG22 VAL 18 HG22 VAL 18 4.715 -4.284 -2.437 73 HG23 VAL 18 HG23 VAL 18 5.175 -4.705 -4.105 74 H GLN 19 H GLN 19 2.712 -7.477 -5.499 75 HA GLN 19 HA GLN 19 5.361 -8.599 -6.404 76 HB2 GLN 19 HB2 GLN 19 2.529 -9.181 -7.338 77 HB3 GLN 19 HB3 GLN 19 4.006 -9.852 -8.044 78 HG2 GLN 19 HG2 GLN 19 4.567 -10.925 -5.879 79 HG3 GLN 19 HG3 GLN 19 3.082 -10.280 -5.175 80 HE21 GLN 19 HE21 GLN 19 2.955 -12.753 -4.776 81 HE22 GLN 19 HE22 GLN 19 2.108 -13.662 -6.048 82 H MET 20 H MET 20 6.276 -6.520 -7.019 83 HA MET 20 HA MET 20 5.720 -6.006 -9.847 84 HB2 MET 20 HB2 MET 20 5.591 -3.527 -9.486 85 HB3 MET 20 HB3 MET 20 4.173 -4.414 -8.922 86 HG2 MET 20 HG2 MET 20 5.026 -4.301 -6.591 87 HG3 MET 20 HG3 MET 20 6.449 -3.418 -7.169 88 HE1 MET 20 HE1 MET 20 4.497 -0.973 -4.997 89 HE2 MET 20 HE2 MET 20 5.518 -2.459 -5.019 90 HE3 MET 20 HE3 MET 20 6.109 -0.951 -5.748 91 H THR 21 H THR 21 7.477 -5.076 -10.946 92 HA THR 21 HA THR 21 9.852 -4.190 -9.483 93 HB THR 21 HB THR 21 9.934 -6.655 -9.494 94 HG1 THR 21 HG1 THR 21 12.096 -5.372 -10.772 95 HG21 THR 21 HG21 THR 21 9.295 -7.086 -11.844 96 HG22 THR 21 HG22 THR 21 10.844 -7.829 -11.390 97 HG23 THR 21 HG23 THR 21 10.824 -6.350 -12.376 98 H CYS 22 H CYS 22 7.910 -3.597 -12.022 99 HA CYS 22 HA CYS 22 10.000 -1.793 -13.037 100 HB2 CYS 22 HB2 CYS 22 9.432 -1.968 -15.305 101 HB3 CYS 22 HB3 CYS 22 9.865 -3.541 -14.702 102 H GLN 23 H GLN 23 9.284 0.202 -13.869 103 HA GLN 23 HA GLN 23 8.066 1.358 -11.715 104 HB2 GLN 23 HB2 GLN 23 9.815 2.267 -13.404 105 HB3 GLN 23 HB3 GLN 23 8.442 2.871 -14.299 106 HG2 GLN 23 HG2 GLN 23 9.434 4.575 -12.835 107 HG3 GLN 23 HG3 GLN 23 7.756 4.259 -12.404 108 HE21 GLN 23 HE21 GLN 23 10.596 2.185 -11.375 109 HE22 GLN 23 HE22 GLN 23 10.503 2.717 -9.712 110 H SER 24 H SER 24 6.406 0.685 -14.773 111 HA SER 24 HA SER 24 4.204 2.456 -14.500 112 HB2 SER 24 HB2 SER 24 4.087 -0.387 -15.590 113 HB3 SER 24 HB3 SER 24 2.970 0.939 -15.946 114 HG SER 24 HG SER 24 5.379 1.853 -16.519 115 H CYS 25 H CYS 25 4.725 -0.706 -12.936 116 HA CYS 25 HA CYS 25 2.091 -0.943 -11.828 117 HB2 CYS 25 HB2 CYS 25 4.738 -2.274 -11.171 118 HB3 CYS 25 HB3 CYS 25 3.129 -2.862 -10.750 119 H VAL 26 H VAL 26 5.205 0.300 -10.617 120 HA VAL 26 HA VAL 26 4.698 0.788 -7.877 121 HB VAL 26 HB VAL 26 6.470 2.452 -9.725 122 HG11 VAL 26 HG11 VAL 26 6.793 1.404 -6.888 123 HG12 VAL 26 HG12 VAL 26 8.123 2.105 -7.802 124 HG13 VAL 26 HG13 VAL 26 6.714 3.111 -7.463 125 HG21 VAL 26 HG21 VAL 26 6.850 -0.368 -8.738 126 HG22 VAL 26 HG22 VAL 26 6.816 0.174 -10.423 127 HG23 VAL 26 HG23 VAL 26 8.164 0.656 -9.425 128 H ASP 27 H ASP 27 4.444 3.052 -10.669 129 HA ASP 27 HA ASP 27 3.090 5.130 -9.270 130 HB2 ASP 27 HB2 ASP 27 4.173 4.898 -11.715 131 HB3 ASP 27 HB3 ASP 27 2.537 4.536 -12.178 132 H ALA 28 H ALA 28 1.881 2.143 -10.752 133 HA ALA 28 HA ALA 28 -0.907 3.041 -10.785 134 HB1 ALA 28 HB1 ALA 28 0.249 0.241 -11.101 135 HB2 ALA 28 HB2 ALA 28 -1.405 0.749 -11.486 136 HB3 ALA 28 HB3 ALA 28 -0.037 1.407 -12.411 137 H VAL 29 H VAL 29 1.015 0.934 -8.546 138 HA VAL 29 HA VAL 29 -1.261 0.378 -6.908 139 HB VAL 29 HB VAL 29 1.723 0.108 -6.356 140 HG11 VAL 29 HG11 VAL 29 1.076 -1.516 -4.672 141 HG12 VAL 29 HG12 VAL 29 0.219 -0.001 -4.318 142 HG13 VAL 29 HG13 VAL 29 -0.632 -1.352 -5.129 143 HG21 VAL 29 HG21 VAL 29 1.508 -2.217 -6.978 144 HG22 VAL 29 HG22 VAL 29 -0.249 -2.085 -7.183 145 HG23 VAL 29 HG23 VAL 29 0.823 -1.320 -8.330 146 H ARG 30 H ARG 30 1.278 2.893 -6.891 147 HA ARG 30 HA ARG 30 0.524 4.214 -4.423 148 HB2 ARG 30 HB2 ARG 30 1.828 5.021 -7.076 149 HB3 ARG 30 HB3 ARG 30 1.456 6.250 -5.877 150 HG2 ARG 30 HG2 ARG 30 3.023 5.525 -4.365 151 HG3 ARG 30 HG3 ARG 30 3.016 3.865 -4.939 152 HD2 ARG 30 HD2 ARG 30 5.103 5.390 -5.342 153 HD3 ARG 30 HD3 ARG 30 4.596 4.214 -6.553 154 HE ARG 30 HE ARG 30 4.640 5.882 -7.991 155 HH11 ARG 30 HH11 ARG 30 4.420 7.513 -4.971 156 HH12 ARG 30 HH12 ARG 30 4.026 9.050 -5.679 157 HH21 ARG 30 HH21 ARG 30 3.711 7.773 -8.892 158 HH22 ARG 30 HH22 ARG 30 3.593 9.188 -7.866 159 H LYS 31 H LYS 31 -0.856 4.346 -7.703 160 HA LYS 31 HA LYS 31 -2.608 6.553 -7.003 161 HB2 LYS 31 HB2 LYS 31 -2.118 4.952 -9.499 162 HB3 LYS 31 HB3 LYS 31 -3.440 6.147 -9.377 163 HG2 LYS 31 HG2 LYS 31 -1.975 7.878 -8.664 164 HG3 LYS 31 HG3 LYS 31 -0.599 6.775 -8.465 165 HD2 LYS 31 HD2 LYS 31 -0.396 6.546 -10.895 166 HD3 LYS 31 HD3 LYS 31 -1.813 7.624 -11.110 167 HE2 LYS 31 HE2 LYS 31 -0.725 9.381 -9.803 168 HE3 LYS 31 HE3 LYS 31 0.637 8.328 -9.433 169 HZ1 LYS 31 HZ1 LYS 31 1.284 8.352 -11.736 170 HZ2 LYS 31 HZ2 LYS 31 1.123 9.908 -11.209 171 HZ3 LYS 31 HZ3 LYS 31 -0.042 9.225 -12.178 172 H SER 32 H SER 32 -3.112 3.127 -6.767 173 HA SER 32 HA SER 32 -5.971 3.342 -6.207 174 HB2 SER 32 HB2 SER 32 -4.989 1.173 -6.498 175 HB3 SER 32 HB3 SER 32 -3.859 1.421 -5.149 176 HG SER 32 HG SER 32 -5.699 0.190 -4.482 177 H LEU 33 H LEU 33 -3.016 3.833 -4.263 178 HA LEU 33 HA LEU 33 -4.389 4.377 -1.771 179 HB2 LEU 33 HB2 LEU 33 -1.531 5.075 -2.561 180 HB3 LEU 33 HB3 LEU 33 -2.161 4.899 -0.938 181 HG LEU 33 HG LEU 33 -2.011 2.587 -2.919 182 HD11 LEU 33 HD11 LEU 33 -0.020 1.845 -1.743 183 HD12 LEU 33 HD12 LEU 33 -0.051 3.295 -0.712 184 HD13 LEU 33 HD13 LEU 33 0.263 3.438 -2.447 185 HD21 LEU 33 HD21 LEU 33 -2.195 1.207 -0.956 186 HD22 LEU 33 HD22 LEU 33 -3.599 2.277 -1.091 187 HD23 LEU 33 HD23 LEU 33 -2.305 2.646 0.087 188 H GLN 34 H GLN 34 -3.006 6.452 -4.323 189 HA GLN 34 HA GLN 34 -3.153 8.893 -2.883 190 HB2 GLN 34 HB2 GLN 34 -2.873 8.092 -5.745 191 HB3 GLN 34 HB3 GLN 34 -3.214 9.759 -5.449 192 HG2 GLN 34 HG2 GLN 34 -1.273 10.046 -4.051 193 HG3 GLN 34 HG3 GLN 34 -0.968 8.315 -4.013 194 HE21 GLN 34 HE21 GLN 34 1.207 9.480 -4.684 195 HE22 GLN 34 HE22 GLN 34 1.486 9.492 -6.429 196 H GLY 35 H GLY 35 -4.617 10.134 -2.377 197 HA2 GLY 35 HA2 GLY 35 -6.615 11.352 -2.320 198 HA3 GLY 35 HA3 GLY 35 -7.227 10.401 -3.672 199 H VAL 36 H VAL 36 -6.261 8.220 -1.193 200 HA VAL 36 HA VAL 36 -9.013 7.492 -0.758 201 HB VAL 36 HB VAL 36 -6.411 6.503 0.453 202 HG11 VAL 36 HG11 VAL 36 -9.237 5.427 0.882 203 HG12 VAL 36 HG12 VAL 36 -7.739 4.581 1.312 204 HG13 VAL 36 HG13 VAL 36 -8.151 6.086 2.133 205 HG21 VAL 36 HG21 VAL 36 -6.887 4.509 -0.919 206 HG22 VAL 36 HG22 VAL 36 -8.402 5.241 -1.496 207 HG23 VAL 36 HG23 VAL 36 -6.840 5.949 -1.939 208 H ALA 37 H ALA 37 -10.333 8.213 0.645 209 HA ALA 37 HA ALA 37 -9.789 10.214 2.629 210 HB1 ALA 37 HB1 ALA 37 -11.974 9.983 1.596 211 HB2 ALA 37 HB2 ALA 37 -12.175 8.351 2.258 212 HB3 ALA 37 HB3 ALA 37 -12.133 9.754 3.344 213 H GLY 38 H GLY 38 -8.438 9.851 4.243 214 HA2 GLY 38 HA2 GLY 38 -8.081 8.994 6.503 215 HA3 GLY 38 HA3 GLY 38 -8.634 7.409 5.972 216 H VAL 39 H VAL 39 -6.603 8.813 3.539 217 HA VAL 39 HA VAL 39 -4.152 7.598 4.735 218 HB VAL 39 HB VAL 39 -4.960 7.212 2.285 219 HG11 VAL 39 HG11 VAL 39 -3.299 9.709 1.798 220 HG12 VAL 39 HG12 VAL 39 -4.052 8.637 0.602 221 HG13 VAL 39 HG13 VAL 39 -5.063 9.631 1.658 222 HG21 VAL 39 HG21 VAL 39 -2.045 7.848 2.917 223 HG22 VAL 39 HG22 VAL 39 -2.878 6.318 3.264 224 HG23 VAL 39 HG23 VAL 39 -2.641 6.835 1.590 225 H GLN 40 H GLN 40 -2.362 8.819 5.292 226 HA GLN 40 HA GLN 40 -2.499 11.805 5.055 227 HB2 GLN 40 HB2 GLN 40 -1.005 9.888 6.853 228 HB3 GLN 40 HB3 GLN 40 -0.307 11.451 6.515 229 HG2 GLN 40 HG2 GLN 40 -3.137 11.166 7.579 230 HG3 GLN 40 HG3 GLN 40 -1.725 11.224 8.625 231 HE21 GLN 40 HE21 GLN 40 -3.434 13.135 9.253 232 HE22 GLN 40 HE22 GLN 40 -2.967 14.683 8.586 233 H ASP 41 H ASP 41 -0.378 8.952 4.407 234 HA ASP 41 HA ASP 41 1.038 10.294 2.211 235 HB2 ASP 41 HB2 ASP 41 2.267 9.683 4.931 236 HB3 ASP 41 HB3 ASP 41 3.247 9.793 3.507 237 H VAL 42 H VAL 42 2.758 8.893 1.394 238 HA VAL 42 HA VAL 42 2.679 5.988 1.948 239 HB VAL 42 HB VAL 42 2.530 5.447 -0.443 240 HG11 VAL 42 HG11 VAL 42 0.056 6.921 0.527 241 HG12 VAL 42 HG12 VAL 42 0.126 5.663 -0.711 242 HG13 VAL 42 HG13 VAL 42 0.524 5.264 0.972 243 HG21 VAL 42 HG21 VAL 42 1.616 8.310 -0.919 244 HG22 VAL 42 HG22 VAL 42 3.139 7.601 -1.493 245 HG23 VAL 42 HG23 VAL 42 1.600 6.979 -2.097 246 H GLU 43 H GLU 43 4.527 4.850 1.154 247 HA GLU 43 HA GLU 43 6.514 6.252 -0.493 248 HB2 GLU 43 HB2 GLU 43 7.240 6.862 1.790 249 HB3 GLU 43 HB3 GLU 43 7.321 5.155 2.236 250 HG2 GLU 43 HG2 GLU 43 9.143 4.762 0.697 251 HG3 GLU 43 HG3 GLU 43 8.937 6.343 -0.043 252 H VAL 44 H VAL 44 7.029 4.805 -2.107 253 HA VAL 44 HA VAL 44 6.572 1.899 -1.572 254 HB VAL 44 HB VAL 44 5.222 2.904 -3.384 255 HG11 VAL 44 HG11 VAL 44 6.904 4.504 -4.316 256 HG12 VAL 44 HG12 VAL 44 7.818 3.102 -4.942 257 HG13 VAL 44 HG13 VAL 44 6.163 3.408 -5.475 258 HG21 VAL 44 HG21 VAL 44 7.198 0.833 -4.326 259 HG22 VAL 44 HG22 VAL 44 5.817 0.523 -3.246 260 HG23 VAL 44 HG23 VAL 44 5.532 1.134 -4.887 261 H HIS 45 H HIS 45 8.144 0.427 -1.752 262 HA HIS 45 HA HIS 45 10.804 1.318 -2.744 263 HB2 HIS 45 HB2 HIS 45 10.152 -0.603 -0.449 264 HB3 HIS 45 HB3 HIS 45 11.732 -0.399 -1.163 265 HD1 HIS 45 HD1 HIS 45 13.266 1.140 0.107 266 HD2 HIS 45 HD2 HIS 45 9.186 1.976 0.737 267 HE1 HIS 45 HE1 HIS 45 13.165 3.040 1.810 268 H LEU 46 H LEU 46 10.801 0.637 -4.683 269 HA LEU 46 HA LEU 46 9.541 -1.775 -5.673 270 HB2 LEU 46 HB2 LEU 46 9.806 0.459 -6.769 271 HB3 LEU 46 HB3 LEU 46 11.511 0.246 -6.885 272 HG LEU 46 HG LEU 46 10.108 -0.112 -8.955 273 HD11 LEU 46 HD11 LEU 46 11.440 -1.867 -9.870 274 HD12 LEU 46 HD12 LEU 46 11.932 -2.414 -8.257 275 HD13 LEU 46 HD13 LEU 46 12.427 -0.814 -8.852 276 HD21 LEU 46 HD21 LEU 46 8.376 -1.539 -7.716 277 HD22 LEU 46 HD22 LEU 46 9.538 -2.862 -7.796 278 HD23 LEU 46 HD23 LEU 46 8.906 -2.131 -9.298 279 H GLU 47 H GLU 47 12.755 -0.784 -4.739 280 HA GLU 47 HA GLU 47 14.208 -3.188 -5.511 281 HB2 GLU 47 HB2 GLU 47 14.802 -0.942 -3.549 282 HB3 GLU 47 HB3 GLU 47 15.950 -2.235 -3.925 283 HG2 GLU 47 HG2 GLU 47 16.061 -1.585 -6.251 284 HG3 GLU 47 HG3 GLU 47 14.761 -0.410 -6.052 285 H ASP 48 H ASP 48 12.030 -2.697 -2.859 286 HA ASP 48 HA ASP 48 12.906 -5.221 -1.614 287 HB2 ASP 48 HB2 ASP 48 11.582 -2.638 -0.697 288 HB3 ASP 48 HB3 ASP 48 11.434 -4.083 0.214 289 H GLN 49 H GLN 49 10.697 -4.054 -3.800 290 HA GLN 49 HA GLN 49 8.500 -4.238 -4.304 291 HB2 GLN 49 HB2 GLN 49 8.673 -7.108 -3.420 292 HB3 GLN 49 HB3 GLN 49 7.638 -6.382 -4.647 293 HG2 GLN 49 HG2 GLN 49 9.137 -7.310 -6.079 294 HG3 GLN 49 HG3 GLN 49 9.864 -5.728 -5.887 295 HE21 GLN 49 HE21 GLN 49 12.125 -6.030 -5.886 296 HE22 GLN 49 HE22 GLN 49 12.919 -7.378 -5.108 297 H MET 50 H MET 50 8.592 -2.922 -2.150 298 HA MET 50 HA MET 50 6.584 -4.021 -0.262 299 HB2 MET 50 HB2 MET 50 8.769 -4.301 0.722 300 HB3 MET 50 HB3 MET 50 9.257 -2.678 0.251 301 HG2 MET 50 HG2 MET 50 8.876 -2.690 2.594 302 HG3 MET 50 HG3 MET 50 7.671 -1.693 1.829 303 HE1 MET 50 HE1 MET 50 8.506 -4.935 3.710 304 HE2 MET 50 HE2 MET 50 6.923 -5.718 3.914 305 HE3 MET 50 HE3 MET 50 7.703 -5.700 2.314 306 H VAL 51 H VAL 51 5.301 -2.381 0.846 307 HA VAL 51 HA VAL 51 5.402 0.393 -0.235 308 HB VAL 51 HB VAL 51 2.726 -1.010 0.089 309 HG11 VAL 51 HG11 VAL 51 2.925 1.477 -0.187 310 HG12 VAL 51 HG12 VAL 51 3.799 1.206 -1.717 311 HG13 VAL 51 HG13 VAL 51 2.097 0.715 -1.560 312 HG21 VAL 51 HG21 VAL 51 3.761 -2.484 -1.459 313 HG22 VAL 51 HG22 VAL 51 2.662 -1.431 -2.347 314 HG23 VAL 51 HG23 VAL 51 4.417 -1.139 -2.425 315 H LEU 52 H LEU 52 5.417 1.846 1.343 316 HA LEU 52 HA LEU 52 4.211 1.313 4.005 317 HB2 LEU 52 HB2 LEU 52 5.733 3.719 2.899 318 HB3 LEU 52 HB3 LEU 52 4.990 3.648 4.471 319 HG LEU 52 HG LEU 52 6.547 1.657 4.980 320 HD11 LEU 52 HD11 LEU 52 8.713 1.686 3.772 321 HD12 LEU 52 HD12 LEU 52 8.007 2.777 2.567 322 HD13 LEU 52 HD13 LEU 52 7.391 1.115 2.749 323 HD21 LEU 52 HD21 LEU 52 7.754 4.406 4.474 324 HD22 LEU 52 HD22 LEU 52 8.364 3.174 5.595 325 HD23 LEU 52 HD23 LEU 52 6.804 3.945 5.901 326 H VAL 53 H VAL 53 2.335 2.037 4.579 327 HA VAL 53 HA VAL 53 0.914 4.137 3.004 328 HB VAL 53 HB VAL 53 -0.350 1.585 4.075 329 HG11 VAL 53 HG11 VAL 53 -2.315 2.367 2.765 330 HG12 VAL 53 HG12 VAL 53 -1.853 3.583 3.959 331 HG13 VAL 53 HG13 VAL 53 -1.413 3.810 2.255 332 HG21 VAL 53 HG21 VAL 53 -0.706 0.994 1.657 333 HG22 VAL 53 HG22 VAL 53 0.442 2.288 1.233 334 HG23 VAL 53 HG23 VAL 53 0.972 0.896 2.192 335 H HIS 54 H HIS 54 0.828 5.802 4.381 336 HA HIS 54 HA HIS 54 0.652 5.388 7.306 337 HB2 HIS 54 HB2 HIS 54 0.923 7.943 5.693 338 HB3 HIS 54 HB3 HIS 54 1.140 7.779 7.409 339 HD1 HIS 54 HD1 HIS 54 3.616 7.673 8.106 340 HD2 HIS 54 HD2 HIS 54 2.912 6.347 4.188 341 HE1 HIS 54 HE1 HIS 54 5.895 7.140 7.107 342 H THR 55 H THR 55 -1.482 4.846 7.859 343 HA THR 55 HA THR 55 -3.691 6.590 6.899 344 HB THR 55 HB THR 55 -3.353 4.951 5.137 345 HG1 THR 55 HG1 THR 55 -5.493 5.608 5.786 346 HG21 THR 55 HG21 THR 55 -4.030 2.773 7.166 347 HG22 THR 55 HG22 THR 55 -2.417 3.040 6.471 348 HG23 THR 55 HG23 THR 55 -3.767 2.578 5.423 349 H THR 56 H THR 56 -5.746 6.296 7.887 350 HA THR 56 HA THR 56 -5.777 5.188 10.624 351 HB THR 56 HB THR 56 -8.052 6.155 10.713 352 HG1 THR 56 HG1 THR 56 -8.611 7.485 8.821 353 HG21 THR 56 HG21 THR 56 -6.094 8.176 9.568 354 HG22 THR 56 HG22 THR 56 -6.155 7.626 11.261 355 HG23 THR 56 HG23 THR 56 -7.525 8.500 10.574 356 H LEU 57 H LEU 57 -6.524 4.016 7.483 357 HA LEU 57 HA LEU 57 -8.924 2.588 8.054 358 HB2 LEU 57 HB2 LEU 57 -6.767 2.122 5.963 359 HB3 LEU 57 HB3 LEU 57 -8.350 1.352 5.943 360 HG LEU 57 HG LEU 57 -7.722 4.307 5.540 361 HD11 LEU 57 HD11 LEU 57 -9.044 2.190 3.795 362 HD12 LEU 57 HD12 LEU 57 -7.388 2.821 3.610 363 HD13 LEU 57 HD13 LEU 57 -8.780 3.886 3.364 364 HD21 LEU 57 HD21 LEU 57 -10.175 4.564 5.138 365 HD22 LEU 57 HD22 LEU 57 -9.720 4.356 6.831 366 HD23 LEU 57 HD23 LEU 57 -10.417 2.987 5.929 367 HA PRO 58 HA PRO 58 -7.338 -1.066 10.096 368 HB2 PRO 58 HB2 PRO 58 -9.423 -2.753 8.865 369 HB3 PRO 58 HB3 PRO 58 -9.250 -2.278 10.575 370 HG2 PRO 58 HG2 PRO 58 -11.284 -1.317 8.979 371 HG3 PRO 58 HG3 PRO 58 -10.521 -0.303 10.251 372 HD2 PRO 58 HD2 PRO 58 -9.792 -0.474 7.317 373 HD3 PRO 58 HD3 PRO 58 -10.251 0.977 8.181 374 H SER 59 H SER 59 -5.856 -2.749 9.456 375 HA SER 59 HA SER 59 -4.898 -2.513 6.828 376 HB2 SER 59 HB2 SER 59 -3.977 -5.030 7.826 377 HB3 SER 59 HB3 SER 59 -3.098 -3.526 7.577 378 HG SER 59 HG SER 59 -3.925 -2.875 9.720 379 H GLN 60 H GLN 60 -7.388 -4.707 7.905 380 HA GLN 60 HA GLN 60 -7.504 -6.482 5.686 381 HB2 GLN 60 HB2 GLN 60 -9.934 -5.295 7.093 382 HB3 GLN 60 HB3 GLN 60 -9.797 -6.827 6.240 383 HG2 GLN 60 HG2 GLN 60 -9.671 -7.564 8.433 384 HG3 GLN 60 HG3 GLN 60 -7.973 -7.381 8.075 385 HE21 GLN 60 HE21 GLN 60 -6.852 -6.119 9.558 386 HE22 GLN 60 HE22 GLN 60 -7.729 -5.276 10.841 387 H GLU 61 H GLU 61 -8.683 -3.119 6.025 388 HA GLU 61 HA GLU 61 -10.277 -3.125 3.595 389 HB2 GLU 61 HB2 GLU 61 -10.630 -1.748 5.699 390 HB3 GLU 61 HB3 GLU 61 -9.217 -0.776 5.221 391 HG2 GLU 61 HG2 GLU 61 -10.353 -0.136 3.146 392 HG3 GLU 61 HG3 GLU 61 -11.744 -1.139 3.613 393 H VAL 62 H VAL 62 -7.035 -1.949 4.566 394 HA VAL 62 HA VAL 62 -6.341 -0.819 2.030 395 HB VAL 62 HB VAL 62 -4.357 -1.884 4.080 396 HG11 VAL 62 HG11 VAL 62 -4.395 0.643 2.375 397 HG12 VAL 62 HG12 VAL 62 -3.030 0.042 3.351 398 HG13 VAL 62 HG13 VAL 62 -3.569 -0.855 1.925 399 HG21 VAL 62 HG21 VAL 62 -5.923 0.686 4.393 400 HG22 VAL 62 HG22 VAL 62 -5.841 -0.691 5.527 401 HG23 VAL 62 HG23 VAL 62 -4.421 0.290 5.267 402 H GLN 63 H GLN 63 -5.766 -4.053 3.534 403 HA GLN 63 HA GLN 63 -4.154 -5.189 1.494 404 HB2 GLN 63 HB2 GLN 63 -4.664 -6.286 3.646 405 HB3 GLN 63 HB3 GLN 63 -6.338 -6.482 3.165 406 HG2 GLN 63 HG2 GLN 63 -5.641 -7.891 1.240 407 HG3 GLN 63 HG3 GLN 63 -3.946 -7.693 1.708 408 HE21 GLN 63 HE21 GLN 63 -6.765 -9.565 2.166 409 HE22 GLN 63 HE22 GLN 63 -6.172 -10.533 3.522 410 H ALA 64 H ALA 64 -7.764 -4.854 1.574 411 HA ALA 64 HA ALA 64 -7.966 -6.289 -0.960 412 HB1 ALA 64 HB1 ALA 64 -9.995 -4.697 0.683 413 HB2 ALA 64 HB2 ALA 64 -10.385 -5.721 -0.717 414 HB3 ALA 64 HB3 ALA 64 -9.723 -6.448 0.758 415 H LEU 65 H LEU 65 -7.680 -2.885 0.065 416 HA LEU 65 HA LEU 65 -8.315 -1.710 -2.438 417 HB2 LEU 65 HB2 LEU 65 -6.867 -0.794 0.011 418 HB3 LEU 65 HB3 LEU 65 -6.868 0.203 -1.419 419 HG LEU 65 HG LEU 65 -9.426 -0.802 -0.094 420 HD11 LEU 65 HD11 LEU 65 -8.185 0.659 1.444 421 HD12 LEU 65 HD12 LEU 65 -9.621 1.477 0.824 422 HD13 LEU 65 HD13 LEU 65 -8.024 1.890 0.162 423 HD21 LEU 65 HD21 LEU 65 -10.479 1.014 -1.393 424 HD22 LEU 65 HD22 LEU 65 -9.751 -0.183 -2.446 425 HD23 LEU 65 HD23 LEU 65 -8.921 1.368 -2.170 426 H LEU 66 H LEU 66 -5.289 -2.771 -1.020 427 HA LEU 66 HA LEU 66 -3.536 -2.126 -3.232 428 HB2 LEU 66 HB2 LEU 66 -3.378 -4.048 -0.878 429 HB3 LEU 66 HB3 LEU 66 -2.065 -3.839 -2.028 430 HG LEU 66 HG LEU 66 -3.160 -1.399 -0.603 431 HD11 LEU 66 HD11 LEU 66 -1.118 -3.370 0.493 432 HD12 LEU 66 HD12 LEU 66 -2.709 -2.998 1.197 433 HD13 LEU 66 HD13 LEU 66 -1.460 -1.755 1.159 434 HD21 LEU 66 HD21 LEU 66 -0.413 -2.192 -1.677 435 HD22 LEU 66 HD22 LEU 66 -0.804 -0.657 -0.887 436 HD23 LEU 66 HD23 LEU 66 -1.553 -1.061 -2.443 437 H GLU 67 H GLU 67 -5.196 -5.186 -2.244 438 HA GLU 67 HA GLU 67 -4.477 -6.744 -4.516 439 HB2 GLU 67 HB2 GLU 67 -6.784 -6.727 -2.555 440 HB3 GLU 67 HB3 GLU 67 -6.808 -7.851 -3.852 441 HG2 GLU 67 HG2 GLU 67 -4.303 -8.388 -3.009 442 HG3 GLU 67 HG3 GLU 67 -4.896 -7.729 -1.508 443 H GLY 68 H GLY 68 -7.043 -4.324 -4.180 444 HA2 GLY 68 HA2 GLY 68 -8.339 -4.678 -6.691 445 HA3 GLY 68 HA3 GLY 68 -8.293 -3.199 -5.722 446 H THR 69 H THR 69 -5.102 -3.616 -6.196 447 HA THR 69 HA THR 69 -4.931 -1.919 -8.589 448 HB THR 69 HB THR 69 -2.490 -1.905 -8.192 449 HG1 THR 69 HG1 THR 69 -2.914 -3.671 -6.072 450 HG21 THR 69 HG21 THR 69 -3.561 -0.308 -7.014 451 HG22 THR 69 HG22 THR 69 -2.548 -1.096 -5.811 452 HG23 THR 69 HG23 THR 69 -4.271 -1.421 -5.813 453 H GLY 70 H GLY 70 -5.387 -5.210 -8.201 454 HA2 GLY 70 HA2 GLY 70 -5.824 -6.642 -9.991 455 HA3 GLY 70 HA3 GLY 70 -4.818 -5.676 -11.070 456 H ARG 71 H ARG 71 -3.372 -6.407 -8.081 457 HA ARG 71 HA ARG 71 -1.978 -8.880 -8.870 458 HB2 ARG 71 HB2 ARG 71 0.234 -7.860 -8.376 459 HB3 ARG 71 HB3 ARG 71 -0.540 -7.145 -9.777 460 HG2 ARG 71 HG2 ARG 71 -1.270 -5.207 -8.367 461 HG3 ARG 71 HG3 ARG 71 -0.521 -5.946 -6.955 462 HD2 ARG 71 HD2 ARG 71 0.926 -4.216 -7.854 463 HD3 ARG 71 HD3 ARG 71 1.677 -5.798 -8.019 464 HE ARG 71 HE ARG 71 1.608 -5.604 -10.342 465 HH11 ARG 71 HH11 ARG 71 -0.757 -3.260 -9.173 466 HH12 ARG 71 HH12 ARG 71 -0.994 -2.681 -10.823 467 HH21 ARG 71 HH21 ARG 71 1.271 -4.720 -12.251 468 HH22 ARG 71 HH22 ARG 71 0.117 -3.398 -12.444 469 H GLN 72 H GLN 72 -0.484 -9.490 -7.013 470 HA GLN 72 HA GLN 72 -2.110 -9.517 -4.599 471 HB2 GLN 72 HB2 GLN 72 0.455 -10.933 -5.370 472 HB3 GLN 72 HB3 GLN 72 -0.265 -11.040 -3.766 473 HG2 GLN 72 HG2 GLN 72 -2.485 -11.656 -5.086 474 HG3 GLN 72 HG3 GLN 72 -1.368 -12.061 -6.395 475 HE21 GLN 72 HE21 GLN 72 -1.912 -12.596 -2.873 476 HE22 GLN 72 HE22 GLN 72 -1.395 -14.292 -2.904 477 H ALA 73 H ALA 73 -1.592 -9.151 -2.639 478 HA ALA 73 HA ALA 73 0.646 -7.432 -1.700 479 HB1 ALA 73 HB1 ALA 73 -2.305 -6.754 -1.340 480 HB2 ALA 73 HB2 ALA 73 -0.917 -5.887 -0.641 481 HB3 ALA 73 HB3 ALA 73 -1.165 -5.899 -2.402 482 H VAL 74 H VAL 74 1.285 -8.105 0.266 483 HA VAL 74 HA VAL 74 -0.451 -9.732 2.074 484 HB VAL 74 HB VAL 74 2.350 -10.452 1.111 485 HG11 VAL 74 HG11 VAL 74 0.697 -11.722 3.347 486 HG12 VAL 74 HG12 VAL 74 2.179 -12.413 2.652 487 HG13 VAL 74 HG13 VAL 74 2.260 -10.891 3.534 488 HG21 VAL 74 HG21 VAL 74 -0.310 -11.933 0.985 489 HG22 VAL 74 HG22 VAL 74 0.581 -11.235 -0.387 490 HG23 VAL 74 HG23 VAL 74 1.265 -12.604 0.491 491 H LEU 75 H LEU 75 -0.326 -8.958 4.123 492 HA LEU 75 HA LEU 75 1.384 -6.680 4.588 493 HB2 LEU 75 HB2 LEU 75 -0.923 -6.811 5.230 494 HB3 LEU 75 HB3 LEU 75 -0.586 -8.038 6.394 495 HG LEU 75 HG LEU 75 0.548 -6.507 7.880 496 HD11 LEU 75 HD11 LEU 75 0.922 -4.761 5.416 497 HD12 LEU 75 HD12 LEU 75 2.107 -5.182 6.679 498 HD13 LEU 75 HD13 LEU 75 0.867 -4.007 7.010 499 HD21 LEU 75 HD21 LEU 75 -1.876 -6.031 7.404 500 HD22 LEU 75 HD22 LEU 75 -1.259 -4.851 6.191 501 HD23 LEU 75 HD23 LEU 75 -0.933 -4.594 7.943 502 H LYS 76 H LYS 76 3.049 -6.427 5.810 503 HA LYS 76 HA LYS 76 4.337 -8.838 7.034 504 HB2 LYS 76 HB2 LYS 76 5.637 -6.349 5.894 505 HB3 LYS 76 HB3 LYS 76 6.478 -7.648 6.713 506 HG2 LYS 76 HG2 LYS 76 4.888 -7.929 4.120 507 HG3 LYS 76 HG3 LYS 76 6.646 -7.850 4.265 508 HD2 LYS 76 HD2 LYS 76 6.667 -9.926 5.571 509 HD3 LYS 76 HD3 LYS 76 4.905 -10.082 5.380 510 HE2 LYS 76 HE2 LYS 76 5.092 -10.269 2.986 511 HE3 LYS 76 HE3 LYS 76 6.828 -9.916 3.035 512 HZ1 LYS 76 HZ1 LYS 76 6.251 -12.326 2.842 513 HZ2 LYS 76 HZ2 LYS 76 5.633 -12.302 4.352 514 HZ3 LYS 76 HZ3 LYS 76 7.229 -11.989 4.117 515 H GLY 77 H GLY 77 3.506 -5.481 7.758 516 HA2 GLY 77 HA2 GLY 77 2.366 -6.087 10.097 517 HA3 GLY 77 HA3 GLY 77 4.043 -5.811 10.612 518 H MET 78 H MET 78 2.925 -4.220 11.883 519 HA MET 78 HA MET 78 2.039 -1.739 10.557 520 HB2 MET 78 HB2 MET 78 1.713 -2.777 13.403 521 HB3 MET 78 HB3 MET 78 1.135 -1.234 12.784 522 HG2 MET 78 HG2 MET 78 -0.761 -2.568 12.618 523 HG3 MET 78 HG3 MET 78 -0.112 -2.596 10.987 524 HE1 MET 78 HE1 MET 78 -2.276 -4.601 11.634 525 HE2 MET 78 HE2 MET 78 -1.320 -4.513 10.140 526 HE3 MET 78 HE3 MET 78 -1.571 -6.086 10.943 527 H GLY 79 H GLY 79 4.146 -1.025 9.990 528 HA2 GLY 79 HA2 GLY 79 5.842 0.473 10.204 529 HA3 GLY 79 HA3 GLY 79 5.127 0.917 11.744 Start of MODEL 5 1 H GLY 9 H GLY 9 -10.142 4.715 11.275 2 HA2 GLY 9 HA2 GLY 9 -10.184 4.975 14.214 3 HA3 GLY 9 HA3 GLY 9 -9.101 3.985 13.238 4 H THR 10 H THR 10 -7.142 4.650 13.925 5 HA THR 10 HA THR 10 -6.418 7.515 13.696 6 HB THR 10 HB THR 10 -6.850 7.089 16.021 7 HG1 THR 10 HG1 THR 10 -5.338 8.377 16.314 8 HG21 THR 10 HG21 THR 10 -5.323 5.633 17.354 9 HG22 THR 10 HG22 THR 10 -4.736 4.916 15.835 10 HG23 THR 10 HG23 THR 10 -6.439 4.746 16.310 11 H LEU 11 H LEU 11 -4.393 8.073 13.274 12 HA LEU 11 HA LEU 11 -3.467 6.624 11.052 13 HB2 LEU 11 HB2 LEU 11 -3.361 9.218 11.834 14 HB3 LEU 11 HB3 LEU 11 -1.738 8.720 12.284 15 HG LEU 11 HG LEU 11 -1.758 9.903 10.205 16 HD11 LEU 11 HD11 LEU 11 -0.508 8.550 8.793 17 HD12 LEU 11 HD12 LEU 11 -1.187 7.034 9.454 18 HD13 LEU 11 HD13 LEU 11 -0.104 8.036 10.441 19 HD21 LEU 11 HD21 LEU 11 -3.923 9.518 9.321 20 HD22 LEU 11 HD22 LEU 11 -3.654 7.766 9.218 21 HD23 LEU 11 HD23 LEU 11 -2.768 8.843 8.150 22 H CYS 12 H CYS 12 -1.883 5.297 10.667 23 HA CYS 12 HA CYS 12 0.519 5.063 12.280 24 HB2 CYS 12 HB2 CYS 12 -1.334 3.462 13.272 25 HB3 CYS 12 HB3 CYS 12 -0.952 2.470 11.841 26 HG CYS 12 HG CYS 12 0.329 1.536 13.887 27 H THR 13 H THR 13 2.089 3.630 11.266 28 HA THR 13 HA THR 13 2.002 3.533 8.276 29 HB THR 13 HB THR 13 4.098 2.548 10.224 30 HG1 THR 13 HG1 THR 13 5.121 4.363 9.988 31 HG21 THR 13 HG21 THR 13 4.191 3.088 7.214 32 HG22 THR 13 HG22 THR 13 4.347 1.497 8.002 33 HG23 THR 13 HG23 THR 13 5.609 2.718 8.211 34 H LEU 14 H LEU 14 1.395 1.784 7.215 35 HA LEU 14 HA LEU 14 1.681 -0.952 8.446 36 HB2 LEU 14 HB2 LEU 14 -0.460 0.312 6.841 37 HB3 LEU 14 HB3 LEU 14 -0.015 -1.355 6.449 38 HG LEU 14 HG LEU 14 -0.267 -0.596 9.391 39 HD11 LEU 14 HD11 LEU 14 -2.569 -1.327 7.613 40 HD12 LEU 14 HD12 LEU 14 -2.276 0.265 8.391 41 HD13 LEU 14 HD13 LEU 14 -2.555 -1.166 9.408 42 HD21 LEU 14 HD21 LEU 14 -0.802 -3.059 7.697 43 HD22 LEU 14 HD22 LEU 14 -1.110 -2.977 9.437 44 HD23 LEU 14 HD23 LEU 14 0.550 -2.840 8.831 45 H GLU 15 H GLU 15 2.672 -2.438 7.487 46 HA GLU 15 HA GLU 15 4.570 -1.624 5.301 47 HB2 GLU 15 HB2 GLU 15 5.242 -3.456 7.634 48 HB3 GLU 15 HB3 GLU 15 6.308 -2.899 6.343 49 HG2 GLU 15 HG2 GLU 15 5.739 -0.520 7.140 50 HG3 GLU 15 HG3 GLU 15 5.094 -1.270 8.592 51 H PHE 16 H PHE 16 3.403 -2.437 3.647 52 HA PHE 16 HA PHE 16 2.776 -5.365 3.627 53 HB2 PHE 16 HB2 PHE 16 1.745 -2.971 2.065 54 HB3 PHE 16 HB3 PHE 16 1.474 -4.587 1.500 55 HD1 PHE 16 HD1 PHE 16 -0.090 -6.100 2.616 56 HD2 PHE 16 HD2 PHE 16 0.585 -2.051 3.936 57 HE1 PHE 16 HE1 PHE 16 -2.350 -6.066 3.675 58 HE2 PHE 16 HE2 PHE 16 -1.635 -2.042 5.066 59 HZ PHE 16 HZ PHE 16 -3.134 -4.025 4.850 60 H ALA 17 H ALA 17 3.128 -6.594 1.790 61 HA ALA 17 HA ALA 17 5.379 -5.797 -0.040 62 HB1 ALA 17 HB1 ALA 17 6.109 -7.477 1.583 63 HB2 ALA 17 HB2 ALA 17 4.731 -8.523 1.157 64 HB3 ALA 17 HB3 ALA 17 6.002 -8.197 -0.032 65 H VAL 18 H VAL 18 4.988 -5.970 -2.229 66 HA VAL 18 HA VAL 18 2.407 -7.213 -3.139 67 HB VAL 18 HB VAL 18 2.109 -5.197 -4.637 68 HG11 VAL 18 HG11 VAL 18 1.912 -4.879 -1.609 69 HG12 VAL 18 HG12 VAL 18 1.283 -3.681 -2.746 70 HG13 VAL 18 HG13 VAL 18 0.647 -5.335 -2.762 71 HG21 VAL 18 HG21 VAL 18 4.250 -4.023 -2.880 72 HG22 VAL 18 HG22 VAL 18 4.321 -4.330 -4.612 73 HG23 VAL 18 HG23 VAL 18 3.169 -3.133 -3.971 74 H GLN 19 H GLN 19 2.202 -7.732 -5.352 75 HA GLN 19 HA GLN 19 4.778 -8.693 -6.448 76 HB2 GLN 19 HB2 GLN 19 2.816 -10.148 -5.999 77 HB3 GLN 19 HB3 GLN 19 1.903 -9.298 -7.246 78 HG2 GLN 19 HG2 GLN 19 3.455 -10.104 -8.970 79 HG3 GLN 19 HG3 GLN 19 4.516 -10.799 -7.735 80 HE21 GLN 19 HE21 GLN 19 1.159 -11.072 -9.079 81 HE22 GLN 19 HE22 GLN 19 1.026 -12.786 -8.673 82 H MET 20 H MET 20 5.737 -6.816 -7.358 83 HA MET 20 HA MET 20 4.827 -6.238 -10.111 84 HB2 MET 20 HB2 MET 20 5.284 -3.778 -9.775 85 HB3 MET 20 HB3 MET 20 3.811 -4.378 -9.024 86 HG2 MET 20 HG2 MET 20 4.682 -4.272 -6.859 87 HG3 MET 20 HG3 MET 20 6.360 -4.239 -7.405 88 HE1 MET 20 HE1 MET 20 4.285 -2.004 -5.406 89 HE2 MET 20 HE2 MET 20 5.936 -2.663 -5.260 90 HE3 MET 20 HE3 MET 20 5.685 -0.904 -5.422 91 H THR 21 H THR 21 6.460 -5.160 -11.462 92 HA THR 21 HA THR 21 9.274 -5.726 -10.631 93 HB THR 21 HB THR 21 9.522 -6.860 -12.923 94 HG1 THR 21 HG1 THR 21 7.721 -6.598 -13.951 95 HG21 THR 21 HG21 THR 21 7.850 -8.264 -10.813 96 HG22 THR 21 HG22 THR 21 9.621 -8.115 -10.810 97 HG23 THR 21 HG23 THR 21 8.812 -9.032 -12.090 98 H CYS 22 H CYS 22 7.298 -3.530 -12.561 99 HA CYS 22 HA CYS 22 9.829 -2.112 -13.055 100 HB2 CYS 22 HB2 CYS 22 9.487 -1.736 -15.367 101 HB3 CYS 22 HB3 CYS 22 9.585 -3.408 -15.025 102 H GLN 23 H GLN 23 9.473 0.104 -14.049 103 HA GLN 23 HA GLN 23 8.753 1.342 -11.633 104 HB2 GLN 23 HB2 GLN 23 9.590 2.728 -14.185 105 HB3 GLN 23 HB3 GLN 23 9.721 3.341 -12.545 106 HG2 GLN 23 HG2 GLN 23 11.336 1.175 -13.883 107 HG3 GLN 23 HG3 GLN 23 11.887 2.650 -13.114 108 HE21 GLN 23 HE21 GLN 23 10.719 2.428 -10.463 109 HE22 GLN 23 HE22 GLN 23 11.539 1.056 -9.758 110 H SER 24 H SER 24 6.792 1.351 -14.593 111 HA SER 24 HA SER 24 5.101 3.573 -13.648 112 HB2 SER 24 HB2 SER 24 4.504 1.431 -15.706 113 HB3 SER 24 HB3 SER 24 3.603 2.931 -15.461 114 HG SER 24 HG SER 24 5.304 2.729 -17.188 115 H CYS 25 H CYS 25 5.106 0.058 -13.077 116 HA CYS 25 HA CYS 25 2.350 -0.038 -12.249 117 HB2 CYS 25 HB2 CYS 25 4.692 -1.924 -11.795 118 HB3 CYS 25 HB3 CYS 25 2.984 -2.292 -11.546 119 H VAL 26 H VAL 26 5.415 0.460 -10.587 120 HA VAL 26 HA VAL 26 4.785 0.681 -7.856 121 HB VAL 26 HB VAL 26 6.430 2.799 -9.292 122 HG11 VAL 26 HG11 VAL 26 8.015 2.361 -7.467 123 HG12 VAL 26 HG12 VAL 26 6.401 2.660 -6.766 124 HG13 VAL 26 HG13 VAL 26 7.048 0.989 -6.925 125 HG21 VAL 26 HG21 VAL 26 7.014 0.871 -10.526 126 HG22 VAL 26 HG22 VAL 26 8.315 1.215 -9.390 127 HG23 VAL 26 HG23 VAL 26 7.147 -0.108 -9.058 128 H ASP 27 H ASP 27 4.424 3.226 -10.390 129 HA ASP 27 HA ASP 27 2.958 4.983 -8.607 130 HB2 ASP 27 HB2 ASP 27 3.844 5.063 -11.442 131 HB3 ASP 27 HB3 ASP 27 2.378 5.961 -11.045 132 H ALA 28 H ALA 28 1.965 2.341 -10.724 133 HA ALA 28 HA ALA 28 -0.846 3.112 -10.715 134 HB1 ALA 28 HB1 ALA 28 0.166 1.506 -12.355 135 HB2 ALA 28 HB2 ALA 28 0.293 0.306 -11.056 136 HB3 ALA 28 HB3 ALA 28 -1.293 0.907 -11.556 137 H VAL 29 H VAL 29 1.144 0.972 -8.594 138 HA VAL 29 HA VAL 29 -1.061 0.369 -6.870 139 HB VAL 29 HB VAL 29 1.939 0.029 -6.454 140 HG11 VAL 29 HG11 VAL 29 -0.370 -1.553 -5.295 141 HG12 VAL 29 HG12 VAL 29 1.345 -1.717 -4.894 142 HG13 VAL 29 HG13 VAL 29 0.471 -0.250 -4.402 143 HG21 VAL 29 HG21 VAL 29 1.702 -2.263 -7.240 144 HG22 VAL 29 HG22 VAL 29 -0.051 -2.083 -7.438 145 HG23 VAL 29 HG23 VAL 29 1.041 -1.245 -8.515 146 H ARG 30 H ARG 30 1.451 2.907 -6.840 147 HA ARG 30 HA ARG 30 0.715 4.048 -4.270 148 HB2 ARG 30 HB2 ARG 30 1.803 5.291 -6.863 149 HB3 ARG 30 HB3 ARG 30 1.649 6.184 -5.374 150 HG2 ARG 30 HG2 ARG 30 3.415 5.148 -4.328 151 HG3 ARG 30 HG3 ARG 30 3.332 3.687 -5.310 152 HD2 ARG 30 HD2 ARG 30 4.468 4.653 -7.136 153 HD3 ARG 30 HD3 ARG 30 4.082 6.304 -6.622 154 HE ARG 30 HE ARG 30 5.659 5.375 -4.592 155 HH11 ARG 30 HH11 ARG 30 6.209 5.802 -8.076 156 HH12 ARG 30 HH12 ARG 30 7.947 5.777 -7.833 157 HH21 ARG 30 HH21 ARG 30 7.871 5.640 -4.431 158 HH22 ARG 30 HH22 ARG 30 8.752 6.054 -5.868 159 H LYS 31 H LYS 31 -0.632 4.450 -7.568 160 HA LYS 31 HA LYS 31 -2.404 6.554 -6.714 161 HB2 LYS 31 HB2 LYS 31 -2.020 5.111 -9.329 162 HB3 LYS 31 HB3 LYS 31 -3.328 6.298 -9.082 163 HG2 LYS 31 HG2 LYS 31 -1.788 7.955 -8.239 164 HG3 LYS 31 HG3 LYS 31 -0.423 6.830 -8.304 165 HD2 LYS 31 HD2 LYS 31 -0.576 6.851 -10.786 166 HD3 LYS 31 HD3 LYS 31 -1.895 8.062 -10.662 167 HE2 LYS 31 HE2 LYS 31 -0.358 9.397 -9.118 168 HE3 LYS 31 HE3 LYS 31 0.925 8.258 -9.500 169 HZ1 LYS 31 HZ1 LYS 31 1.179 10.114 -10.931 170 HZ2 LYS 31 HZ2 LYS 31 -0.385 10.143 -11.390 171 HZ3 LYS 31 HZ3 LYS 31 0.569 8.913 -11.898 172 H SER 32 H SER 32 -2.885 3.110 -6.693 173 HA SER 32 HA SER 32 -5.734 3.322 -6.113 174 HB2 SER 32 HB2 SER 32 -4.551 1.276 -6.906 175 HB3 SER 32 HB3 SER 32 -3.885 1.073 -5.276 176 HG SER 32 HG SER 32 -5.790 0.192 -4.796 177 H LEU 33 H LEU 33 -3.005 4.314 -4.331 178 HA LEU 33 HA LEU 33 -4.475 4.350 -1.722 179 HB2 LEU 33 HB2 LEU 33 -1.576 5.057 -2.270 180 HB3 LEU 33 HB3 LEU 33 -2.317 4.704 -0.720 181 HG LEU 33 HG LEU 33 -1.983 2.589 -2.896 182 HD11 LEU 33 HD11 LEU 33 0.008 1.827 -1.757 183 HD12 LEU 33 HD12 LEU 33 -0.118 3.140 -0.563 184 HD13 LEU 33 HD13 LEU 33 0.239 3.506 -2.255 185 HD21 LEU 33 HD21 LEU 33 -3.611 2.112 -1.097 186 HD22 LEU 33 HD22 LEU 33 -2.315 2.364 0.114 187 HD23 LEU 33 HD23 LEU 33 -2.196 1.047 -1.075 188 H GLN 34 H GLN 34 -3.296 6.396 -4.290 189 HA GLN 34 HA GLN 34 -3.486 8.878 -2.814 190 HB2 GLN 34 HB2 GLN 34 -3.021 8.102 -5.671 191 HB3 GLN 34 HB3 GLN 34 -3.406 9.752 -5.327 192 HG2 GLN 34 HG2 GLN 34 -1.523 10.042 -3.856 193 HG3 GLN 34 HG3 GLN 34 -1.245 8.312 -3.773 194 HE21 GLN 34 HE21 GLN 34 0.974 8.498 -4.541 195 HE22 GLN 34 HE22 GLN 34 1.287 8.845 -6.238 196 H GLY 35 H GLY 35 -5.038 10.251 -2.622 197 HA2 GLY 35 HA2 GLY 35 -7.181 11.150 -2.581 198 HA3 GLY 35 HA3 GLY 35 -7.534 10.320 -4.100 199 H VAL 36 H VAL 36 -6.547 8.454 -1.250 200 HA VAL 36 HA VAL 36 -9.296 7.323 -0.964 201 HB VAL 36 HB VAL 36 -6.622 6.293 0.029 202 HG11 VAL 36 HG11 VAL 36 -9.377 4.988 0.136 203 HG12 VAL 36 HG12 VAL 36 -7.844 4.271 0.666 204 HG13 VAL 36 HG13 VAL 36 -8.506 5.646 1.542 205 HG21 VAL 36 HG21 VAL 36 -7.033 4.452 -1.589 206 HG22 VAL 36 HG22 VAL 36 -8.470 5.300 -2.189 207 HG23 VAL 36 HG23 VAL 36 -6.855 6.008 -2.404 208 H ALA 37 H ALA 37 -10.533 8.181 0.587 209 HA ALA 37 HA ALA 37 -9.579 9.883 2.664 210 HB1 ALA 37 HB1 ALA 37 -12.200 8.384 2.310 211 HB2 ALA 37 HB2 ALA 37 -11.895 9.588 3.586 212 HB3 ALA 37 HB3 ALA 37 -11.836 10.076 1.890 213 H GLY 38 H GLY 38 -8.554 9.442 4.442 214 HA2 GLY 38 HA2 GLY 38 -8.237 8.323 6.549 215 HA3 GLY 38 HA3 GLY 38 -8.712 6.792 5.811 216 H VAL 39 H VAL 39 -6.800 8.205 3.476 217 HA VAL 39 HA VAL 39 -4.218 7.152 4.594 218 HB VAL 39 HB VAL 39 -5.035 7.634 1.720 219 HG11 VAL 39 HG11 VAL 39 -2.504 6.390 2.928 220 HG12 VAL 39 HG12 VAL 39 -2.906 6.425 1.198 221 HG13 VAL 39 HG13 VAL 39 -2.590 7.933 2.053 222 HG21 VAL 39 HG21 VAL 39 -6.169 5.640 2.644 223 HG22 VAL 39 HG22 VAL 39 -4.914 5.163 1.501 224 HG23 VAL 39 HG23 VAL 39 -4.620 5.016 3.246 225 H GLN 40 H GLN 40 -2.652 8.524 5.045 226 HA GLN 40 HA GLN 40 -2.989 11.424 4.403 227 HB2 GLN 40 HB2 GLN 40 -1.600 9.833 6.576 228 HB3 GLN 40 HB3 GLN 40 -1.029 11.437 6.226 229 HG2 GLN 40 HG2 GLN 40 -3.922 10.783 6.967 230 HG3 GLN 40 HG3 GLN 40 -2.692 11.461 8.055 231 HE21 GLN 40 HE21 GLN 40 -1.658 13.525 7.360 232 HE22 GLN 40 HE22 GLN 40 -2.630 14.645 6.386 233 H ASP 41 H ASP 41 -0.521 8.849 4.345 234 HA ASP 41 HA ASP 41 0.855 10.093 2.069 235 HB2 ASP 41 HB2 ASP 41 2.094 9.791 4.819 236 HB3 ASP 41 HB3 ASP 41 3.079 9.725 3.404 237 H VAL 42 H VAL 42 2.588 8.700 1.343 238 HA VAL 42 HA VAL 42 2.472 5.849 2.037 239 HB VAL 42 HB VAL 42 2.184 5.141 -0.258 240 HG11 VAL 42 HG11 VAL 42 -0.191 5.503 -0.494 241 HG12 VAL 42 HG12 VAL 42 0.201 5.277 1.217 242 HG13 VAL 42 HG13 VAL 42 -0.152 6.900 0.579 243 HG21 VAL 42 HG21 VAL 42 1.589 8.036 -0.966 244 HG22 VAL 42 HG22 VAL 42 2.917 7.018 -1.582 245 HG23 VAL 42 HG23 VAL 42 1.253 6.635 -2.003 246 H GLU 43 H GLU 43 4.262 4.635 1.170 247 HA GLU 43 HA GLU 43 6.281 6.066 -0.388 248 HB2 GLU 43 HB2 GLU 43 6.946 6.668 1.888 249 HB3 GLU 43 HB3 GLU 43 7.023 4.972 2.364 250 HG2 GLU 43 HG2 GLU 43 8.877 4.553 0.975 251 HG3 GLU 43 HG3 GLU 43 8.590 5.985 -0.004 252 H VAL 44 H VAL 44 7.140 4.701 -1.897 253 HA VAL 44 HA VAL 44 6.572 1.734 -1.647 254 HB VAL 44 HB VAL 44 5.938 3.511 -3.982 255 HG11 VAL 44 HG11 VAL 44 6.887 1.320 -4.686 256 HG12 VAL 44 HG12 VAL 44 5.716 0.498 -3.631 257 HG13 VAL 44 HG13 VAL 44 5.158 1.462 -5.029 258 HG21 VAL 44 HG21 VAL 44 3.679 2.378 -3.499 259 HG22 VAL 44 HG22 VAL 44 4.395 1.926 -1.930 260 HG23 VAL 44 HG23 VAL 44 4.207 3.635 -2.347 261 H HIS 45 H HIS 45 8.107 0.496 -1.963 262 HA HIS 45 HA HIS 45 10.710 1.390 -3.147 263 HB2 HIS 45 HB2 HIS 45 9.968 -0.167 -0.658 264 HB3 HIS 45 HB3 HIS 45 11.580 -0.289 -1.374 265 HD1 HIS 45 HD1 HIS 45 13.298 1.517 -0.788 266 HD2 HIS 45 HD2 HIS 45 9.363 2.425 0.361 267 HE1 HIS 45 HE1 HIS 45 13.455 3.624 0.631 268 H LEU 46 H LEU 46 10.239 0.494 -5.186 269 HA LEU 46 HA LEU 46 9.514 -2.195 -5.727 270 HB2 LEU 46 HB2 LEU 46 9.569 -0.380 -7.244 271 HB3 LEU 46 HB3 LEU 46 11.273 -0.229 -7.193 272 HG LEU 46 HG LEU 46 11.665 -1.923 -8.711 273 HD11 LEU 46 HD11 LEU 46 9.207 -3.405 -7.650 274 HD12 LEU 46 HD12 LEU 46 10.921 -3.941 -7.623 275 HD13 LEU 46 HD13 LEU 46 10.074 -3.859 -9.137 276 HD21 LEU 46 HD21 LEU 46 9.831 -2.006 -10.341 277 HD22 LEU 46 HD22 LEU 46 9.846 -0.403 -9.598 278 HD23 LEU 46 HD23 LEU 46 8.673 -1.620 -9.027 279 H GLU 47 H GLU 47 12.592 -0.732 -4.916 280 HA GLU 47 HA GLU 47 14.201 -3.127 -5.137 281 HB2 GLU 47 HB2 GLU 47 14.660 -0.478 -3.776 282 HB3 GLU 47 HB3 GLU 47 15.866 -1.768 -3.724 283 HG2 GLU 47 HG2 GLU 47 16.255 -1.723 -6.033 284 HG3 GLU 47 HG3 GLU 47 14.697 -0.995 -6.406 285 H ASP 48 H ASP 48 11.812 -2.572 -2.780 286 HA ASP 48 HA ASP 48 12.789 -5.031 -1.412 287 HB2 ASP 48 HB2 ASP 48 11.888 -2.461 -0.272 288 HB3 ASP 48 HB3 ASP 48 10.847 -3.741 0.196 289 H GLN 49 H GLN 49 10.683 -3.919 -3.685 290 HA GLN 49 HA GLN 49 8.551 -3.975 -4.261 291 HB2 GLN 49 HB2 GLN 49 8.571 -6.830 -3.294 292 HB3 GLN 49 HB3 GLN 49 7.443 -6.084 -4.425 293 HG2 GLN 49 HG2 GLN 49 8.777 -7.131 -5.927 294 HG3 GLN 49 HG3 GLN 49 9.557 -5.561 -5.880 295 HE21 GLN 49 HE21 GLN 49 11.741 -5.490 -5.220 296 HE22 GLN 49 HE22 GLN 49 12.617 -6.869 -4.575 297 H MET 50 H MET 50 8.969 -2.844 -1.746 298 HA MET 50 HA MET 50 6.726 -3.750 -0.041 299 HB2 MET 50 HB2 MET 50 8.804 -3.648 1.096 300 HB3 MET 50 HB3 MET 50 9.132 -2.012 0.521 301 HG2 MET 50 HG2 MET 50 7.953 -1.021 2.132 302 HG3 MET 50 HG3 MET 50 6.670 -2.201 2.177 303 HE1 MET 50 HE1 MET 50 6.606 -4.384 3.621 304 HE2 MET 50 HE2 MET 50 8.059 -4.964 2.765 305 HE3 MET 50 HE3 MET 50 7.999 -4.988 4.538 306 H VAL 51 H VAL 51 5.104 -2.465 0.609 307 HA VAL 51 HA VAL 51 4.750 0.243 -0.501 308 HB VAL 51 HB VAL 51 2.200 -0.695 -0.200 309 HG11 VAL 51 HG11 VAL 51 4.014 -1.228 -2.593 310 HG12 VAL 51 HG12 VAL 51 2.226 -1.312 -2.618 311 HG13 VAL 51 HG13 VAL 51 3.032 0.226 -2.315 312 HG21 VAL 51 HG21 VAL 51 1.807 -2.854 -0.655 313 HG22 VAL 51 HG22 VAL 51 3.508 -3.194 -1.116 314 HG23 VAL 51 HG23 VAL 51 3.092 -2.870 0.538 315 H LEU 52 H LEU 52 4.951 1.622 1.102 316 HA LEU 52 HA LEU 52 3.874 0.977 3.782 317 HB2 LEU 52 HB2 LEU 52 5.570 3.341 2.898 318 HB3 LEU 52 HB3 LEU 52 4.930 3.078 4.494 319 HG LEU 52 HG LEU 52 7.067 2.344 4.789 320 HD11 LEU 52 HD11 LEU 52 7.231 -0.005 5.003 321 HD12 LEU 52 HD12 LEU 52 6.006 -0.280 3.745 322 HD13 LEU 52 HD13 LEU 52 5.542 0.470 5.284 323 HD21 LEU 52 HD21 LEU 52 7.891 2.683 2.525 324 HD22 LEU 52 HD22 LEU 52 7.176 1.145 2.007 325 HD23 LEU 52 HD23 LEU 52 8.502 1.163 3.195 326 H VAL 53 H VAL 53 2.293 1.977 4.682 327 HA VAL 53 HA VAL 53 0.813 4.058 3.149 328 HB VAL 53 HB VAL 53 -0.617 1.622 4.255 329 HG11 VAL 53 HG11 VAL 53 -1.869 3.796 3.995 330 HG12 VAL 53 HG12 VAL 53 -1.457 3.794 2.273 331 HG13 VAL 53 HG13 VAL 53 -2.488 2.515 2.945 332 HG21 VAL 53 HG21 VAL 53 -0.981 0.946 1.876 333 HG22 VAL 53 HG22 VAL 53 0.274 2.117 1.403 334 HG23 VAL 53 HG23 VAL 53 0.680 0.733 2.437 335 H HIS 54 H HIS 54 0.975 5.679 4.496 336 HA HIS 54 HA HIS 54 0.686 5.401 7.407 337 HB2 HIS 54 HB2 HIS 54 0.945 7.900 5.716 338 HB3 HIS 54 HB3 HIS 54 1.120 7.802 7.437 339 HD1 HIS 54 HD1 HIS 54 3.500 7.226 8.378 340 HD2 HIS 54 HD2 HIS 54 2.976 6.398 4.300 341 HE1 HIS 54 HE1 HIS 54 5.816 6.695 7.448 342 H THR 55 H THR 55 -1.407 4.819 7.948 343 HA THR 55 HA THR 55 -3.685 6.429 6.920 344 HB THR 55 HB THR 55 -3.326 4.728 5.256 345 HG1 THR 55 HG1 THR 55 -5.471 5.305 5.925 346 HG21 THR 55 HG21 THR 55 -2.261 2.930 6.671 347 HG22 THR 55 HG22 THR 55 -3.587 2.359 5.651 348 HG23 THR 55 HG23 THR 55 -3.855 2.610 7.387 349 H THR 56 H THR 56 -5.635 6.264 7.958 350 HA THR 56 HA THR 56 -5.679 5.280 10.743 351 HB THR 56 HB THR 56 -7.831 6.465 10.845 352 HG1 THR 56 HG1 THR 56 -8.233 7.765 8.853 353 HG21 THR 56 HG21 THR 56 -5.660 7.829 11.019 354 HG22 THR 56 HG22 THR 56 -7.146 8.706 10.659 355 HG23 THR 56 HG23 THR 56 -5.993 8.355 9.357 356 H LEU 57 H LEU 57 -6.413 4.001 7.695 357 HA LEU 57 HA LEU 57 -8.857 2.568 8.285 358 HB2 LEU 57 HB2 LEU 57 -6.750 2.232 6.110 359 HB3 LEU 57 HB3 LEU 57 -8.312 1.445 6.082 360 HG LEU 57 HG LEU 57 -7.826 4.461 5.932 361 HD11 LEU 57 HD11 LEU 57 -8.834 2.480 3.853 362 HD12 LEU 57 HD12 LEU 57 -7.211 3.212 3.892 363 HD13 LEU 57 HD13 LEU 57 -8.639 4.231 3.637 364 HD21 LEU 57 HD21 LEU 57 -9.962 4.071 7.050 365 HD22 LEU 57 HD22 LEU 57 -10.422 2.892 5.800 366 HD23 LEU 57 HD23 LEU 57 -10.242 4.611 5.391 367 HA PRO 58 HA PRO 58 -7.032 -1.092 10.087 368 HB2 PRO 58 HB2 PRO 58 -9.082 -2.854 8.952 369 HB3 PRO 58 HB3 PRO 58 -8.906 -2.302 10.638 370 HG2 PRO 58 HG2 PRO 58 -10.995 -1.490 9.006 371 HG3 PRO 58 HG3 PRO 58 -10.298 -0.436 10.281 372 HD2 PRO 58 HD2 PRO 58 -9.545 -0.568 7.359 373 HD3 PRO 58 HD3 PRO 58 -10.063 0.856 8.211 374 H SER 59 H SER 59 -5.575 -2.817 9.412 375 HA SER 59 HA SER 59 -4.608 -2.647 6.774 376 HB2 SER 59 HB2 SER 59 -3.904 -5.240 7.832 377 HB3 SER 59 HB3 SER 59 -2.921 -3.813 7.510 378 HG SER 59 HG SER 59 -3.917 -4.819 9.874 379 H GLN 60 H GLN 60 -7.061 -4.810 8.026 380 HA GLN 60 HA GLN 60 -7.433 -6.624 5.911 381 HB2 GLN 60 HB2 GLN 60 -9.543 -5.238 7.635 382 HB3 GLN 60 HB3 GLN 60 -9.751 -6.722 6.714 383 HG2 GLN 60 HG2 GLN 60 -9.454 -7.593 8.790 384 HG3 GLN 60 HG3 GLN 60 -7.785 -7.627 8.264 385 HE21 GLN 60 HE21 GLN 60 -9.792 -6.662 10.816 386 HE22 GLN 60 HE22 GLN 60 -8.502 -5.764 11.600 387 H GLU 61 H GLU 61 -8.428 -3.219 6.116 388 HA GLU 61 HA GLU 61 -10.085 -3.254 3.685 389 HB2 GLU 61 HB2 GLU 61 -10.497 -1.938 5.840 390 HB3 GLU 61 HB3 GLU 61 -9.134 -0.900 5.348 391 HG2 GLU 61 HG2 GLU 61 -10.276 -0.215 3.367 392 HG3 GLU 61 HG3 GLU 61 -11.579 -1.379 3.678 393 H VAL 62 H VAL 62 -6.882 -1.998 4.703 394 HA VAL 62 HA VAL 62 -6.220 -0.778 2.221 395 HB VAL 62 HB VAL 62 -4.153 -1.931 4.128 396 HG11 VAL 62 HG11 VAL 62 -4.292 0.674 2.559 397 HG12 VAL 62 HG12 VAL 62 -2.895 0.071 3.488 398 HG13 VAL 62 HG13 VAL 62 -3.426 -0.779 2.031 399 HG21 VAL 62 HG21 VAL 62 -4.194 0.126 5.467 400 HG22 VAL 62 HG22 VAL 62 -5.692 0.639 4.633 401 HG23 VAL 62 HG23 VAL 62 -5.647 -0.810 5.658 402 H GLN 63 H GLN 63 -5.682 -4.104 3.503 403 HA GLN 63 HA GLN 63 -4.017 -5.043 1.410 404 HB2 GLN 63 HB2 GLN 63 -4.488 -6.356 3.449 405 HB3 GLN 63 HB3 GLN 63 -6.164 -6.542 2.970 406 HG2 GLN 63 HG2 GLN 63 -5.446 -7.757 0.896 407 HG3 GLN 63 HG3 GLN 63 -3.748 -7.481 1.354 408 HE21 GLN 63 HE21 GLN 63 -3.102 -9.584 1.470 409 HE22 GLN 63 HE22 GLN 63 -3.724 -10.702 2.676 410 H ALA 64 H ALA 64 -7.612 -4.685 1.431 411 HA ALA 64 HA ALA 64 -7.802 -5.997 -1.168 412 HB1 ALA 64 HB1 ALA 64 -9.605 -6.168 0.536 413 HB2 ALA 64 HB2 ALA 64 -9.832 -4.408 0.504 414 HB3 ALA 64 HB3 ALA 64 -10.214 -5.381 -0.933 415 H LEU 65 H LEU 65 -7.491 -2.674 0.070 416 HA LEU 65 HA LEU 65 -8.050 -1.279 -2.355 417 HB2 LEU 65 HB2 LEU 65 -6.519 -0.616 0.135 418 HB3 LEU 65 HB3 LEU 65 -6.554 0.478 -1.216 419 HG LEU 65 HG LEU 65 -9.080 -0.555 0.157 420 HD11 LEU 65 HD11 LEU 65 -9.143 1.714 1.199 421 HD12 LEU 65 HD12 LEU 65 -7.501 2.003 0.567 422 HD13 LEU 65 HD13 LEU 65 -7.798 0.717 1.761 423 HD21 LEU 65 HD21 LEU 65 -8.596 1.777 -1.763 424 HD22 LEU 65 HD22 LEU 65 -10.123 1.439 -0.923 425 HD23 LEU 65 HD23 LEU 65 -9.516 0.298 -2.122 426 H LEU 66 H LEU 66 -5.115 -2.586 -0.962 427 HA LEU 66 HA LEU 66 -3.273 -1.940 -3.098 428 HB2 LEU 66 HB2 LEU 66 -3.275 -3.951 -0.811 429 HB3 LEU 66 HB3 LEU 66 -1.918 -3.779 -1.912 430 HG LEU 66 HG LEU 66 -2.946 -1.347 -0.408 431 HD11 LEU 66 HD11 LEU 66 -1.267 -1.831 1.349 432 HD12 LEU 66 HD12 LEU 66 -0.979 -3.431 0.626 433 HD13 LEU 66 HD13 LEU 66 -2.561 -3.022 1.331 434 HD21 LEU 66 HD21 LEU 66 -0.568 -0.667 -0.651 435 HD22 LEU 66 HD22 LEU 66 -1.323 -0.981 -2.225 436 HD23 LEU 66 HD23 LEU 66 -0.228 -2.181 -1.512 437 H GLU 67 H GLU 67 -5.113 -4.966 -2.314 438 HA GLU 67 HA GLU 67 -4.195 -6.436 -4.574 439 HB2 GLU 67 HB2 GLU 67 -6.467 -6.637 -2.619 440 HB3 GLU 67 HB3 GLU 67 -6.640 -7.549 -4.052 441 HG2 GLU 67 HG2 GLU 67 -3.970 -8.096 -3.180 442 HG3 GLU 67 HG3 GLU 67 -4.941 -8.051 -1.722 443 H GLY 68 H GLY 68 -6.889 -4.130 -4.363 444 HA2 GLY 68 HA2 GLY 68 -8.163 -4.529 -6.822 445 HA3 GLY 68 HA3 GLY 68 -7.989 -2.979 -6.001 446 H THR 69 H THR 69 -4.934 -3.438 -6.423 447 HA THR 69 HA THR 69 -4.603 -1.977 -8.904 448 HB THR 69 HB THR 69 -2.175 -2.141 -8.376 449 HG1 THR 69 HG1 THR 69 -2.749 -3.694 -6.146 450 HG21 THR 69 HG21 THR 69 -3.987 -1.522 -6.019 451 HG22 THR 69 HG22 THR 69 -3.274 -0.441 -7.234 452 HG23 THR 69 HG23 THR 69 -2.263 -1.253 -6.039 453 H GLY 70 H GLY 70 -5.244 -5.227 -8.340 454 HA2 GLY 70 HA2 GLY 70 -5.625 -6.846 -9.972 455 HA3 GLY 70 HA3 GLY 70 -4.581 -6.001 -11.123 456 H ARG 71 H ARG 71 -3.419 -6.506 -7.892 457 HA ARG 71 HA ARG 71 -1.486 -8.625 -8.698 458 HB2 ARG 71 HB2 ARG 71 -0.940 -5.964 -7.290 459 HB3 ARG 71 HB3 ARG 71 0.260 -7.210 -7.650 460 HG2 ARG 71 HG2 ARG 71 -0.040 -6.873 -10.053 461 HG3 ARG 71 HG3 ARG 71 -1.320 -5.681 -9.781 462 HD2 ARG 71 HD2 ARG 71 0.148 -4.134 -8.737 463 HD3 ARG 71 HD3 ARG 71 1.471 -5.293 -8.699 464 HE ARG 71 HE ARG 71 0.576 -3.667 -10.983 465 HH11 ARG 71 HH11 ARG 71 2.389 -6.636 -10.290 466 HH12 ARG 71 HH12 ARG 71 2.934 -6.705 -11.951 467 HH21 ARG 71 HH21 ARG 71 1.390 -3.815 -12.922 468 HH22 ARG 71 HH22 ARG 71 2.321 -5.227 -13.416 469 H GLN 72 H GLN 72 -0.383 -9.502 -6.799 470 HA GLN 72 HA GLN 72 -2.140 -9.805 -4.473 471 HB2 GLN 72 HB2 GLN 72 0.117 -11.254 -5.586 472 HB3 GLN 72 HB3 GLN 72 0.369 -10.991 -3.879 473 HG2 GLN 72 HG2 GLN 72 -2.294 -12.065 -4.898 474 HG3 GLN 72 HG3 GLN 72 -0.908 -13.124 -4.656 475 HE21 GLN 72 HE21 GLN 72 -3.335 -11.138 -2.948 476 HE22 GLN 72 HE22 GLN 72 -2.895 -11.748 -1.368 477 H ALA 73 H ALA 73 -1.531 -9.494 -2.443 478 HA ALA 73 HA ALA 73 0.374 -7.358 -1.617 479 HB1 ALA 73 HB1 ALA 73 -1.413 -5.978 -0.681 480 HB2 ALA 73 HB2 ALA 73 -1.647 -6.149 -2.437 481 HB3 ALA 73 HB3 ALA 73 -2.656 -7.076 -1.309 482 H VAL 74 H VAL 74 1.322 -8.398 -0.014 483 HA VAL 74 HA VAL 74 -0.196 -10.041 1.985 484 HB VAL 74 HB VAL 74 2.614 -10.304 0.869 485 HG11 VAL 74 HG11 VAL 74 2.794 -10.732 3.262 486 HG12 VAL 74 HG12 VAL 74 1.375 -11.809 3.207 487 HG13 VAL 74 HG13 VAL 74 2.889 -12.254 2.385 488 HG21 VAL 74 HG21 VAL 74 1.844 -12.590 0.259 489 HG22 VAL 74 HG22 VAL 74 0.228 -12.199 0.893 490 HG23 VAL 74 HG23 VAL 74 0.871 -11.339 -0.524 491 H LEU 75 H LEU 75 -0.176 -9.198 3.977 492 HA LEU 75 HA LEU 75 1.521 -6.912 4.594 493 HB2 LEU 75 HB2 LEU 75 -0.785 -7.091 5.214 494 HB3 LEU 75 HB3 LEU 75 -0.466 -8.419 6.272 495 HG LEU 75 HG LEU 75 0.693 -7.032 7.872 496 HD11 LEU 75 HD11 LEU 75 1.034 -4.481 7.213 497 HD12 LEU 75 HD12 LEU 75 1.039 -5.079 5.558 498 HD13 LEU 75 HD13 LEU 75 2.243 -5.619 6.748 499 HD21 LEU 75 HD21 LEU 75 -1.759 -6.515 7.410 500 HD22 LEU 75 HD22 LEU 75 -1.111 -5.187 6.382 501 HD23 LEU 75 HD23 LEU 75 -0.795 -5.196 8.158 502 H LYS 76 H LYS 76 3.186 -6.745 5.847 503 HA LYS 76 HA LYS 76 4.527 -9.205 6.868 504 HB2 LYS 76 HB2 LYS 76 5.820 -6.532 6.270 505 HB3 LYS 76 HB3 LYS 76 6.607 -8.026 6.702 506 HG2 LYS 76 HG2 LYS 76 5.081 -7.521 4.114 507 HG3 LYS 76 HG3 LYS 76 6.823 -7.476 4.292 508 HD2 LYS 76 HD2 LYS 76 5.076 -9.939 4.675 509 HD3 LYS 76 HD3 LYS 76 5.968 -9.550 3.217 510 HE2 LYS 76 HE2 LYS 76 7.249 -10.113 5.928 511 HE3 LYS 76 HE3 LYS 76 7.052 -11.284 4.620 512 HZ1 LYS 76 HZ1 LYS 76 8.436 -9.777 3.217 513 HZ2 LYS 76 HZ2 LYS 76 9.226 -10.434 4.504 514 HZ3 LYS 76 HZ3 LYS 76 8.761 -8.879 4.588 515 H GLY 77 H GLY 77 3.654 -5.903 7.831 516 HA2 GLY 77 HA2 GLY 77 2.536 -6.599 10.228 517 HA3 GLY 77 HA3 GLY 77 4.213 -6.189 10.643 518 H MET 78 H MET 78 2.849 -4.562 11.907 519 HA MET 78 HA MET 78 2.214 -2.103 10.452 520 HB2 MET 78 HB2 MET 78 2.156 -2.755 13.426 521 HB3 MET 78 HB3 MET 78 1.675 -1.243 12.663 522 HG2 MET 78 HG2 MET 78 -0.413 -2.243 12.746 523 HG3 MET 78 HG3 MET 78 0.141 -2.787 11.190 524 HE1 MET 78 HE1 MET 78 -1.158 -4.884 10.747 525 HE2 MET 78 HE2 MET 78 -1.677 -6.018 12.014 526 HE3 MET 78 HE3 MET 78 -2.183 -4.316 12.087 527 H GLY 79 H GLY 79 3.322 -0.152 11.004 528 HA2 GLY 79 HA2 GLY 79 6.188 -0.633 10.760 529 HA3 GLY 79 HA3 GLY 79 5.442 0.918 10.575 Start of MODEL 6 1 H GLY 9 H GLY 9 -10.674 4.311 11.244 2 HA2 GLY 9 HA2 GLY 9 -10.449 4.452 14.151 3 HA3 GLY 9 HA3 GLY 9 -9.391 3.613 13.025 4 H THR 10 H THR 10 -7.447 4.267 13.595 5 HA THR 10 HA THR 10 -6.748 7.140 13.728 6 HB THR 10 HB THR 10 -7.254 6.281 15.951 7 HG1 THR 10 HG1 THR 10 -5.966 7.927 15.892 8 HG21 THR 10 HG21 THR 10 -5.744 4.749 17.109 9 HG22 THR 10 HG22 THR 10 -4.700 4.614 15.673 10 HG23 THR 10 HG23 THR 10 -6.331 3.927 15.656 11 H LEU 11 H LEU 11 -4.522 7.589 13.512 12 HA LEU 11 HA LEU 11 -3.717 6.158 11.199 13 HB2 LEU 11 HB2 LEU 11 -3.346 8.741 11.817 14 HB3 LEU 11 HB3 LEU 11 -1.766 8.145 12.310 15 HG LEU 11 HG LEU 11 -2.043 6.849 9.897 16 HD11 LEU 11 HD11 LEU 11 -3.467 9.499 9.633 17 HD12 LEU 11 HD12 LEU 11 -4.158 7.900 9.378 18 HD13 LEU 11 HD13 LEU 11 -2.917 8.516 8.265 19 HD21 LEU 11 HD21 LEU 11 -0.929 9.634 10.123 20 HD22 LEU 11 HD22 LEU 11 -0.705 8.450 8.796 21 HD23 LEU 11 HD23 LEU 11 -0.065 8.102 10.415 22 H CYS 12 H CYS 12 -2.212 4.821 10.698 23 HA CYS 12 HA CYS 12 0.035 4.028 12.458 24 HB2 CYS 12 HB2 CYS 12 -2.353 2.359 11.617 25 HB3 CYS 12 HB3 CYS 12 -0.773 1.588 11.893 26 HG CYS 12 HG CYS 12 -2.192 3.700 14.001 27 H THR 13 H THR 13 1.632 2.796 11.288 28 HA THR 13 HA THR 13 1.630 3.247 8.296 29 HB THR 13 HB THR 13 3.950 2.750 10.192 30 HG1 THR 13 HG1 THR 13 4.451 4.907 9.577 31 HG21 THR 13 HG21 THR 13 4.367 1.789 7.934 32 HG22 THR 13 HG22 THR 13 5.343 3.240 8.205 33 HG23 THR 13 HG23 THR 13 3.885 3.338 7.194 34 H LEU 14 H LEU 14 1.110 1.563 7.139 35 HA LEU 14 HA LEU 14 1.545 -1.220 8.178 36 HB2 LEU 14 HB2 LEU 14 -0.336 0.046 6.190 37 HB3 LEU 14 HB3 LEU 14 0.006 -1.677 6.175 38 HG LEU 14 HG LEU 14 -1.100 -2.140 8.122 39 HD11 LEU 14 HD11 LEU 14 -0.117 -0.579 9.697 40 HD12 LEU 14 HD12 LEU 14 -1.873 -0.612 9.834 41 HD13 LEU 14 HD13 LEU 14 -1.083 0.757 9.011 42 HD21 LEU 14 HD21 LEU 14 -2.578 0.314 7.067 43 HD22 LEU 14 HD22 LEU 14 -3.293 -1.012 7.996 44 HD23 LEU 14 HD23 LEU 14 -2.667 -1.315 6.365 45 H GLU 15 H GLU 15 3.199 -2.334 7.436 46 HA GLU 15 HA GLU 15 4.649 -1.497 4.959 47 HB2 GLU 15 HB2 GLU 15 5.467 -3.165 7.372 48 HB3 GLU 15 HB3 GLU 15 6.444 -2.999 5.909 49 HG2 GLU 15 HG2 GLU 15 6.511 -0.564 6.209 50 HG3 GLU 15 HG3 GLU 15 5.632 -0.715 7.743 51 H PHE 16 H PHE 16 3.435 -2.465 3.349 52 HA PHE 16 HA PHE 16 2.829 -5.401 3.569 53 HB2 PHE 16 HB2 PHE 16 1.891 -3.265 1.604 54 HB3 PHE 16 HB3 PHE 16 1.567 -4.981 1.432 55 HD1 PHE 16 HD1 PHE 16 0.687 -2.013 3.431 56 HD2 PHE 16 HD2 PHE 16 -0.073 -6.174 2.593 57 HE1 PHE 16 HE1 PHE 16 -1.549 -1.819 4.482 58 HE2 PHE 16 HE2 PHE 16 -2.322 -5.977 3.649 59 HZ PHE 16 HZ PHE 16 -3.068 -3.804 4.568 60 H ALA 17 H ALA 17 3.497 -6.881 2.230 61 HA ALA 17 HA ALA 17 5.631 -6.297 0.220 62 HB1 ALA 17 HB1 ALA 17 6.076 -8.154 1.734 63 HB2 ALA 17 HB2 ALA 17 4.527 -8.927 1.279 64 HB3 ALA 17 HB3 ALA 17 5.833 -8.751 0.085 65 H VAL 18 H VAL 18 5.311 -6.580 -1.957 66 HA VAL 18 HA VAL 18 2.687 -7.537 -2.981 67 HB VAL 18 HB VAL 18 2.727 -5.548 -4.606 68 HG11 VAL 18 HG11 VAL 18 1.101 -5.639 -2.723 69 HG12 VAL 18 HG12 VAL 18 2.281 -4.822 -1.668 70 HG13 VAL 18 HG13 VAL 18 1.622 -3.988 -3.079 71 HG21 VAL 18 HG21 VAL 18 4.548 -4.365 -2.521 72 HG22 VAL 18 HG22 VAL 18 5.030 -4.834 -4.168 73 HG23 VAL 18 HG23 VAL 18 3.813 -3.551 -3.915 74 H GLN 19 H GLN 19 2.739 -7.952 -5.349 75 HA GLN 19 HA GLN 19 5.496 -8.710 -6.272 76 HB2 GLN 19 HB2 GLN 19 4.065 -10.622 -6.012 77 HB3 GLN 19 HB3 GLN 19 2.784 -9.855 -6.949 78 HG2 GLN 19 HG2 GLN 19 3.840 -11.532 -8.284 79 HG3 GLN 19 HG3 GLN 19 4.167 -9.967 -8.989 80 HE21 GLN 19 HE21 GLN 19 5.572 -12.857 -8.651 81 HE22 GLN 19 HE22 GLN 19 7.242 -12.312 -8.725 82 H MET 20 H MET 20 6.141 -6.743 -7.119 83 HA MET 20 HA MET 20 5.217 -6.356 -9.877 84 HB2 MET 20 HB2 MET 20 5.273 -3.856 -9.573 85 HB3 MET 20 HB3 MET 20 3.855 -4.675 -8.898 86 HG2 MET 20 HG2 MET 20 4.834 -4.510 -6.640 87 HG3 MET 20 HG3 MET 20 6.282 -3.743 -7.315 88 HE1 MET 20 HE1 MET 20 5.392 -2.697 -5.113 89 HE2 MET 20 HE2 MET 20 5.985 -1.163 -5.787 90 HE3 MET 20 HE3 MET 20 4.354 -1.219 -5.087 91 H THR 21 H THR 21 6.861 -5.687 -11.283 92 HA THR 21 HA THR 21 9.547 -5.233 -10.023 93 HB THR 21 HB THR 21 10.551 -6.503 -11.849 94 HG1 THR 21 HG1 THR 21 9.069 -7.957 -12.936 95 HG21 THR 21 HG21 THR 21 10.043 -8.677 -10.956 96 HG22 THR 21 HG22 THR 21 8.460 -8.139 -10.351 97 HG23 THR 21 HG23 THR 21 9.963 -7.525 -9.624 98 H CYS 22 H CYS 22 7.371 -3.909 -12.442 99 HA CYS 22 HA CYS 22 9.622 -2.303 -13.512 100 HB2 CYS 22 HB2 CYS 22 8.866 -2.512 -15.593 101 HB3 CYS 22 HB3 CYS 22 8.272 -4.022 -14.955 102 H GLN 23 H GLN 23 9.064 -0.226 -14.368 103 HA GLN 23 HA GLN 23 8.215 1.483 -12.259 104 HB2 GLN 23 HB2 GLN 23 8.920 2.045 -15.149 105 HB3 GLN 23 HB3 GLN 23 8.661 3.296 -13.930 106 HG2 GLN 23 HG2 GLN 23 10.773 1.089 -13.721 107 HG3 GLN 23 HG3 GLN 23 11.069 2.732 -14.252 108 HE21 GLN 23 HE21 GLN 23 11.211 0.749 -11.499 109 HE22 GLN 23 HE22 GLN 23 11.088 2.046 -10.296 110 H SER 24 H SER 24 6.232 0.079 -14.745 111 HA SER 24 HA SER 24 4.107 2.140 -14.511 112 HB2 SER 24 HB2 SER 24 4.100 -0.491 -16.042 113 HB3 SER 24 HB3 SER 24 2.878 0.788 -16.125 114 HG SER 24 HG SER 24 5.453 0.681 -17.190 115 H CYS 25 H CYS 25 4.928 -0.646 -12.686 116 HA CYS 25 HA CYS 25 2.154 -1.067 -11.753 117 HB2 CYS 25 HB2 CYS 25 4.849 -2.166 -10.895 118 HB3 CYS 25 HB3 CYS 25 3.299 -2.611 -10.182 119 H VAL 26 H VAL 26 5.246 0.132 -10.493 120 HA VAL 26 HA VAL 26 4.752 1.007 -7.971 121 HB VAL 26 HB VAL 26 6.230 2.968 -9.711 122 HG11 VAL 26 HG11 VAL 26 6.603 3.182 -7.332 123 HG12 VAL 26 HG12 VAL 26 7.032 1.438 -7.184 124 HG13 VAL 26 HG13 VAL 26 8.078 2.553 -8.053 125 HG21 VAL 26 HG21 VAL 26 6.688 1.085 -10.922 126 HG22 VAL 26 HG22 VAL 26 8.127 1.520 -9.998 127 HG23 VAL 26 HG23 VAL 26 7.096 0.137 -9.473 128 H ASP 27 H ASP 27 4.280 3.142 -10.825 129 HA ASP 27 HA ASP 27 3.055 5.329 -9.553 130 HB2 ASP 27 HB2 ASP 27 3.949 4.959 -11.974 131 HB3 ASP 27 HB3 ASP 27 2.359 4.305 -12.315 132 H ALA 28 H ALA 28 1.630 2.327 -10.797 133 HA ALA 28 HA ALA 28 -1.136 3.265 -10.527 134 HB1 ALA 28 HB1 ALA 28 -1.729 1.015 -11.220 135 HB2 ALA 28 HB2 ALA 28 -0.441 1.657 -12.253 136 HB3 ALA 28 HB3 ALA 28 -0.054 0.460 -11.004 137 H VAL 29 H VAL 29 0.988 1.014 -8.553 138 HA VAL 29 HA VAL 29 -1.087 0.622 -6.652 139 HB VAL 29 HB VAL 29 1.874 0.212 -6.132 140 HG11 VAL 29 HG11 VAL 29 0.195 -0.084 -4.251 141 HG12 VAL 29 HG12 VAL 29 -0.667 -1.255 -5.294 142 HG13 VAL 29 HG13 VAL 29 0.978 -1.606 -4.701 143 HG21 VAL 29 HG21 VAL 29 1.399 -1.042 -8.217 144 HG22 VAL 29 HG22 VAL 29 1.477 -2.162 -6.878 145 HG23 VAL 29 HG23 VAL 29 -0.101 -1.657 -7.526 146 H ARG 30 H ARG 30 1.315 3.188 -7.014 147 HA ARG 30 HA ARG 30 0.783 4.477 -4.447 148 HB2 ARG 30 HB2 ARG 30 1.706 5.448 -7.225 149 HB3 ARG 30 HB3 ARG 30 1.534 6.555 -5.866 150 HG2 ARG 30 HG2 ARG 30 3.293 5.503 -4.633 151 HG3 ARG 30 HG3 ARG 30 3.306 4.105 -5.687 152 HD2 ARG 30 HD2 ARG 30 4.930 5.040 -6.952 153 HD3 ARG 30 HD3 ARG 30 3.801 6.312 -7.417 154 HE ARG 30 HE ARG 30 4.899 6.921 -4.815 155 HH11 ARG 30 HH11 ARG 30 6.046 6.948 -8.152 156 HH12 ARG 30 HH12 ARG 30 6.896 8.467 -7.866 157 HH21 ARG 30 HH21 ARG 30 6.172 8.578 -4.543 158 HH22 ARG 30 HH22 ARG 30 7.269 9.116 -5.822 159 H LYS 31 H LYS 31 -0.743 4.765 -7.679 160 HA LYS 31 HA LYS 31 -2.465 6.887 -6.834 161 HB2 LYS 31 HB2 LYS 31 -2.260 5.233 -9.336 162 HB3 LYS 31 HB3 LYS 31 -3.552 6.447 -9.116 163 HG2 LYS 31 HG2 LYS 31 -1.977 8.186 -8.585 164 HG3 LYS 31 HG3 LYS 31 -0.621 7.049 -8.530 165 HD2 LYS 31 HD2 LYS 31 -0.792 6.673 -10.951 166 HD3 LYS 31 HD3 LYS 31 -2.166 7.828 -11.031 167 HE2 LYS 31 HE2 LYS 31 -0.823 9.567 -10.004 168 HE3 LYS 31 HE3 LYS 31 0.509 8.453 -9.713 169 HZ1 LYS 31 HZ1 LYS 31 -0.452 9.155 -12.442 170 HZ2 LYS 31 HZ2 LYS 31 0.858 8.247 -12.078 171 HZ3 LYS 31 HZ3 LYS 31 0.849 9.866 -11.723 172 H SER 32 H SER 32 -3.017 3.433 -6.753 173 HA SER 32 HA SER 32 -5.815 3.453 -6.150 174 HB2 SER 32 HB2 SER 32 -4.419 1.452 -6.590 175 HB3 SER 32 HB3 SER 32 -3.642 1.653 -5.001 176 HG SER 32 HG SER 32 -5.358 0.207 -4.729 177 H LEU 33 H LEU 33 -3.050 4.433 -4.186 178 HA LEU 33 HA LEU 33 -4.576 4.552 -1.659 179 HB2 LEU 33 HB2 LEU 33 -1.769 5.552 -2.185 180 HB3 LEU 33 HB3 LEU 33 -2.456 5.041 -0.652 181 HG LEU 33 HG LEU 33 -1.872 3.159 -2.960 182 HD11 LEU 33 HD11 LEU 33 0.206 4.247 -2.218 183 HD12 LEU 33 HD12 LEU 33 0.176 2.526 -1.822 184 HD13 LEU 33 HD13 LEU 33 -0.125 3.738 -0.550 185 HD21 LEU 33 HD21 LEU 33 -2.276 2.579 -0.019 186 HD22 LEU 33 HD22 LEU 33 -1.906 1.411 -1.315 187 HD23 LEU 33 HD23 LEU 33 -3.459 2.270 -1.323 188 H GLN 34 H GLN 34 -3.223 6.743 -4.120 189 HA GLN 34 HA GLN 34 -3.155 9.085 -2.602 190 HB2 GLN 34 HB2 GLN 34 -1.764 8.515 -4.482 191 HB3 GLN 34 HB3 GLN 34 -3.154 8.460 -5.563 192 HG2 GLN 34 HG2 GLN 34 -3.463 10.765 -5.470 193 HG3 GLN 34 HG3 GLN 34 -2.271 11.006 -4.167 194 HE21 GLN 34 HE21 GLN 34 -0.021 10.118 -4.858 195 HE22 GLN 34 HE22 GLN 34 0.410 10.330 -6.542 196 H GLY 35 H GLY 35 -4.617 10.550 -2.088 197 HA2 GLY 35 HA2 GLY 35 -6.567 11.790 -2.042 198 HA3 GLY 35 HA3 GLY 35 -7.067 11.036 -3.557 199 H VAL 36 H VAL 36 -6.416 8.633 -1.148 200 HA VAL 36 HA VAL 36 -9.254 8.011 -0.939 201 HB VAL 36 HB VAL 36 -6.785 6.608 0.138 202 HG11 VAL 36 HG11 VAL 36 -8.320 4.690 0.579 203 HG12 VAL 36 HG12 VAL 36 -8.633 6.065 1.635 204 HG13 VAL 36 HG13 VAL 36 -9.710 5.747 0.249 205 HG21 VAL 36 HG21 VAL 36 -7.327 4.929 -1.574 206 HG22 VAL 36 HG22 VAL 36 -8.754 5.859 -2.075 207 HG23 VAL 36 HG23 VAL 36 -7.125 6.502 -2.353 208 H ALA 37 H ALA 37 -10.513 8.493 0.638 209 HA ALA 37 HA ALA 37 -9.909 10.164 2.843 210 HB1 ALA 37 HB1 ALA 37 -12.119 9.494 3.716 211 HB2 ALA 37 HB2 ALA 37 -12.175 9.838 1.978 212 HB3 ALA 37 HB3 ALA 37 -12.180 8.156 2.550 213 H GLY 38 H GLY 38 -8.602 9.816 4.490 214 HA2 GLY 38 HA2 GLY 38 -8.155 8.791 6.620 215 HA3 GLY 38 HA3 GLY 38 -8.508 7.205 5.942 216 H VAL 39 H VAL 39 -6.628 8.796 3.617 217 HA VAL 39 HA VAL 39 -4.101 7.651 4.643 218 HB VAL 39 HB VAL 39 -5.102 7.410 2.247 219 HG11 VAL 39 HG11 VAL 39 -3.482 9.936 1.757 220 HG12 VAL 39 HG12 VAL 39 -4.326 8.928 0.571 221 HG13 VAL 39 HG13 VAL 39 -5.253 9.866 1.751 222 HG21 VAL 39 HG21 VAL 39 -2.836 7.083 1.351 223 HG22 VAL 39 HG22 VAL 39 -2.142 8.020 2.688 224 HG23 VAL 39 HG23 VAL 39 -2.949 6.468 3.006 225 H GLN 40 H GLN 40 -2.312 8.856 5.262 226 HA GLN 40 HA GLN 40 -2.491 11.837 5.063 227 HB2 GLN 40 HB2 GLN 40 -1.197 9.968 7.075 228 HB3 GLN 40 HB3 GLN 40 -0.621 11.601 6.826 229 HG2 GLN 40 HG2 GLN 40 -3.057 12.379 7.140 230 HG3 GLN 40 HG3 GLN 40 -3.367 10.753 7.730 231 HE21 GLN 40 HE21 GLN 40 -3.998 12.038 9.766 232 HE22 GLN 40 HE22 GLN 40 -2.679 12.585 10.817 233 H ASP 41 H ASP 41 -0.298 9.055 4.610 234 HA ASP 41 HA ASP 41 1.229 10.483 2.556 235 HB2 ASP 41 HB2 ASP 41 2.501 9.452 5.124 236 HB3 ASP 41 HB3 ASP 41 3.402 9.842 3.709 237 H VAL 42 H VAL 42 2.701 8.984 1.500 238 HA VAL 42 HA VAL 42 2.408 6.062 1.929 239 HB VAL 42 HB VAL 42 1.976 5.663 -0.431 240 HG11 VAL 42 HG11 VAL 42 -0.387 6.226 -0.505 241 HG12 VAL 42 HG12 VAL 42 0.066 5.741 1.140 242 HG13 VAL 42 HG13 VAL 42 -0.186 7.456 0.736 243 HG21 VAL 42 HG21 VAL 42 2.799 7.729 -1.504 244 HG22 VAL 42 HG22 VAL 42 1.143 7.372 -1.985 245 HG23 VAL 42 HG23 VAL 42 1.455 8.642 -0.788 246 H GLU 43 H GLU 43 4.186 4.848 1.021 247 HA GLU 43 HA GLU 43 5.988 6.177 -0.827 248 HB2 GLU 43 HB2 GLU 43 6.998 6.935 1.264 249 HB3 GLU 43 HB3 GLU 43 7.069 5.281 1.887 250 HG2 GLU 43 HG2 GLU 43 8.836 4.710 0.506 251 HG3 GLU 43 HG3 GLU 43 8.351 5.786 -0.791 252 H VAL 44 H VAL 44 6.650 4.694 -2.343 253 HA VAL 44 HA VAL 44 6.318 1.784 -1.686 254 HB VAL 44 HB VAL 44 4.747 2.516 -3.286 255 HG11 VAL 44 HG11 VAL 44 5.846 4.405 -4.372 256 HG12 VAL 44 HG12 VAL 44 7.064 3.313 -5.072 257 HG13 VAL 44 HG13 VAL 44 5.359 3.156 -5.535 258 HG21 VAL 44 HG21 VAL 44 5.745 0.255 -3.413 259 HG22 VAL 44 HG22 VAL 44 5.197 0.886 -4.983 260 HG23 VAL 44 HG23 VAL 44 6.931 0.864 -4.593 261 H HIS 45 H HIS 45 7.969 0.540 -1.601 262 HA HIS 45 HA HIS 45 10.569 1.422 -2.759 263 HB2 HIS 45 HB2 HIS 45 9.986 -0.414 -0.384 264 HB3 HIS 45 HB3 HIS 45 11.570 -0.219 -1.111 265 HD1 HIS 45 HD1 HIS 45 13.079 1.513 0.074 266 HD2 HIS 45 HD2 HIS 45 8.956 1.973 0.772 267 HE1 HIS 45 HE1 HIS 45 12.854 3.314 1.855 268 H LEU 46 H LEU 46 10.063 0.645 -4.818 269 HA LEU 46 HA LEU 46 9.439 -2.037 -5.516 270 HB2 LEU 46 HB2 LEU 46 9.448 -0.082 -6.935 271 HB3 LEU 46 HB3 LEU 46 11.168 0.051 -6.855 272 HG LEU 46 HG LEU 46 11.565 -1.491 -8.480 273 HD11 LEU 46 HD11 LEU 46 9.199 -3.143 -7.469 274 HD12 LEU 46 HD12 LEU 46 10.941 -3.584 -7.503 275 HD13 LEU 46 HD13 LEU 46 10.063 -3.464 -8.989 276 HD21 LEU 46 HD21 LEU 46 9.678 -1.565 -10.089 277 HD22 LEU 46 HD22 LEU 46 9.715 0.017 -9.283 278 HD23 LEU 46 HD23 LEU 46 8.563 -1.249 -8.738 279 H GLU 47 H GLU 47 12.483 -0.469 -4.676 280 HA GLU 47 HA GLU 47 14.195 -2.740 -5.008 281 HB2 GLU 47 HB2 GLU 47 14.442 -0.213 -3.375 282 HB3 GLU 47 HB3 GLU 47 15.746 -1.407 -3.481 283 HG2 GLU 47 HG2 GLU 47 16.058 -1.106 -5.794 284 HG3 GLU 47 HG3 GLU 47 14.467 -0.390 -6.040 285 H ASP 48 H ASP 48 11.745 -2.559 -2.678 286 HA ASP 48 HA ASP 48 12.912 -5.044 -1.553 287 HB2 ASP 48 HB2 ASP 48 12.121 -2.735 -0.038 288 HB3 ASP 48 HB3 ASP 48 10.883 -3.936 0.200 289 H GLN 49 H GLN 49 10.684 -3.939 -3.668 290 HA GLN 49 HA GLN 49 8.525 -4.218 -4.287 291 HB2 GLN 49 HB2 GLN 49 8.699 -7.068 -3.280 292 HB3 GLN 49 HB3 GLN 49 7.690 -6.397 -4.549 293 HG2 GLN 49 HG2 GLN 49 9.652 -5.902 -5.947 294 HG3 GLN 49 HG3 GLN 49 10.540 -6.844 -4.748 295 HE21 GLN 49 HE21 GLN 49 8.355 -7.026 -7.453 296 HE22 GLN 49 HE22 GLN 49 8.072 -8.772 -7.409 297 H MET 50 H MET 50 8.765 -2.930 -1.917 298 HA MET 50 HA MET 50 6.554 -3.977 -0.230 299 HB2 MET 50 HB2 MET 50 8.621 -4.182 0.942 300 HB3 MET 50 HB3 MET 50 9.089 -2.519 0.574 301 HG2 MET 50 HG2 MET 50 7.573 -1.591 2.090 302 HG3 MET 50 HG3 MET 50 6.585 -3.044 2.173 303 HE1 MET 50 HE1 MET 50 6.796 -4.960 3.632 304 HE2 MET 50 HE2 MET 50 8.284 -5.464 2.795 305 HE3 MET 50 HE3 MET 50 8.245 -5.413 4.567 306 H VAL 51 H VAL 51 5.095 -2.461 0.702 307 HA VAL 51 HA VAL 51 5.165 0.319 -0.367 308 HB VAL 51 HB VAL 51 2.520 -1.120 -0.026 309 HG11 VAL 51 HG11 VAL 51 1.869 0.556 -1.717 310 HG12 VAL 51 HG12 VAL 51 2.695 1.372 -0.375 311 HG13 VAL 51 HG13 VAL 51 3.568 1.049 -1.896 312 HG21 VAL 51 HG21 VAL 51 4.239 -1.296 -2.517 313 HG22 VAL 51 HG22 VAL 51 3.582 -2.621 -1.524 314 HG23 VAL 51 HG23 VAL 51 2.485 -1.602 -2.455 315 H LEU 52 H LEU 52 4.965 1.838 1.104 316 HA LEU 52 HA LEU 52 3.966 1.248 3.847 317 HB2 LEU 52 HB2 LEU 52 5.748 3.459 2.713 318 HB3 LEU 52 HB3 LEU 52 4.923 3.624 4.227 319 HG LEU 52 HG LEU 52 6.094 1.315 4.834 320 HD11 LEU 52 HD11 LEU 52 8.325 1.079 3.819 321 HD12 LEU 52 HD12 LEU 52 7.939 2.395 2.685 322 HD13 LEU 52 HD13 LEU 52 7.057 0.852 2.606 323 HD21 LEU 52 HD21 LEU 52 8.030 2.554 5.703 324 HD22 LEU 52 HD22 LEU 52 6.542 3.486 5.928 325 HD23 LEU 52 HD23 LEU 52 7.659 3.917 4.618 326 H VAL 53 H VAL 53 2.206 2.105 4.574 327 HA VAL 53 HA VAL 53 0.783 4.218 3.047 328 HB VAL 53 HB VAL 53 -0.576 1.702 4.076 329 HG11 VAL 53 HG11 VAL 53 -1.522 3.938 2.208 330 HG12 VAL 53 HG12 VAL 53 -2.498 2.576 2.798 331 HG13 VAL 53 HG13 VAL 53 -1.941 3.818 3.925 332 HG21 VAL 53 HG21 VAL 53 0.255 2.359 1.233 333 HG22 VAL 53 HG22 VAL 53 0.732 0.951 2.200 334 HG23 VAL 53 HG23 VAL 53 -0.941 1.116 1.665 335 H HIS 54 H HIS 54 0.771 5.826 4.461 336 HA HIS 54 HA HIS 54 0.660 5.333 7.370 337 HB2 HIS 54 HB2 HIS 54 0.979 7.954 5.877 338 HB3 HIS 54 HB3 HIS 54 1.292 7.668 7.549 339 HD1 HIS 54 HD1 HIS 54 3.720 7.070 8.196 340 HD2 HIS 54 HD2 HIS 54 2.812 6.377 4.170 341 HE1 HIS 54 HE1 HIS 54 5.904 6.348 7.077 342 H THR 55 H THR 55 -1.492 4.852 7.940 343 HA THR 55 HA THR 55 -3.622 6.716 7.057 344 HB THR 55 HB THR 55 -3.295 5.160 5.188 345 HG1 THR 55 HG1 THR 55 -5.425 5.830 5.831 346 HG21 THR 55 HG21 THR 55 -3.801 2.778 5.342 347 HG22 THR 55 HG22 THR 55 -4.058 2.893 7.091 348 HG23 THR 55 HG23 THR 55 -2.437 3.148 6.409 349 H THR 56 H THR 56 -5.743 6.375 7.944 350 HA THR 56 HA THR 56 -5.859 5.092 10.600 351 HB THR 56 HB THR 56 -8.041 6.165 10.793 352 HG1 THR 56 HG1 THR 56 -8.582 7.598 8.958 353 HG21 THR 56 HG21 THR 56 -6.315 8.292 9.522 354 HG22 THR 56 HG22 THR 56 -5.898 7.569 11.096 355 HG23 THR 56 HG23 THR 56 -7.439 8.414 10.884 356 H LEU 57 H LEU 57 -6.400 4.036 7.444 357 HA LEU 57 HA LEU 57 -8.797 2.493 7.866 358 HB2 LEU 57 HB2 LEU 57 -6.625 2.248 5.754 359 HB3 LEU 57 HB3 LEU 57 -8.195 1.453 5.698 360 HG LEU 57 HG LEU 57 -7.651 4.447 5.506 361 HD11 LEU 57 HD11 LEU 57 -7.234 3.093 3.472 362 HD12 LEU 57 HD12 LEU 57 -8.604 4.196 3.276 363 HD13 LEU 57 HD13 LEU 57 -8.899 2.466 3.558 364 HD21 LEU 57 HD21 LEU 57 -10.312 3.006 5.674 365 HD22 LEU 57 HD22 LEU 57 -10.088 4.662 5.083 366 HD23 LEU 57 HD23 LEU 57 -9.692 4.273 6.757 367 HA PRO 58 HA PRO 58 -6.938 -1.113 9.810 368 HB2 PRO 58 HB2 PRO 58 -9.013 -2.797 8.497 369 HB3 PRO 58 HB3 PRO 58 -8.759 -2.530 10.239 370 HG2 PRO 58 HG2 PRO 58 -10.908 -1.475 8.933 371 HG3 PRO 58 HG3 PRO 58 -10.042 -0.497 10.169 372 HD2 PRO 58 HD2 PRO 58 -9.566 -0.521 7.190 373 HD3 PRO 58 HD3 PRO 58 -9.999 0.874 8.152 374 H SER 59 H SER 59 -5.409 -2.808 9.065 375 HA SER 59 HA SER 59 -4.627 -2.651 6.327 376 HB2 SER 59 HB2 SER 59 -3.549 -5.034 7.062 377 HB3 SER 59 HB3 SER 59 -2.803 -3.465 7.290 378 HG SER 59 HG SER 59 -3.958 -5.248 9.076 379 H GLN 60 H GLN 60 -7.078 -4.666 7.773 380 HA GLN 60 HA GLN 60 -7.551 -6.542 5.707 381 HB2 GLN 60 HB2 GLN 60 -9.616 -4.964 7.320 382 HB3 GLN 60 HB3 GLN 60 -9.883 -6.447 6.424 383 HG2 GLN 60 HG2 GLN 60 -9.769 -7.278 8.522 384 HG3 GLN 60 HG3 GLN 60 -8.092 -7.491 8.066 385 HE21 GLN 60 HE21 GLN 60 -9.382 -7.198 10.782 386 HE22 GLN 60 HE22 GLN 60 -8.468 -5.885 11.495 387 H GLU 61 H GLU 61 -8.399 -3.082 5.922 388 HA GLU 61 HA GLU 61 -10.016 -3.048 3.495 389 HB2 GLU 61 HB2 GLU 61 -10.342 -1.682 5.597 390 HB3 GLU 61 HB3 GLU 61 -8.914 -0.729 5.128 391 HG2 GLU 61 HG2 GLU 61 -10.003 -0.002 3.110 392 HG3 GLU 61 HG3 GLU 61 -11.393 -1.058 3.465 393 H VAL 62 H VAL 62 -6.719 -1.977 4.461 394 HA VAL 62 HA VAL 62 -6.067 -0.836 1.925 395 HB VAL 62 HB VAL 62 -4.078 -1.870 3.975 396 HG11 VAL 62 HG11 VAL 62 -4.073 0.544 2.119 397 HG12 VAL 62 HG12 VAL 62 -2.732 0.029 3.172 398 HG13 VAL 62 HG13 VAL 62 -3.223 -0.976 1.805 399 HG21 VAL 62 HG21 VAL 62 -5.538 -0.545 5.345 400 HG22 VAL 62 HG22 VAL 62 -4.097 0.382 5.030 401 HG23 VAL 62 HG23 VAL 62 -5.592 0.757 4.132 402 H GLN 63 H GLN 63 -5.558 -4.142 3.318 403 HA GLN 63 HA GLN 63 -4.004 -5.159 1.161 404 HB2 GLN 63 HB2 GLN 63 -4.390 -6.458 3.219 405 HB3 GLN 63 HB3 GLN 63 -6.097 -6.589 2.848 406 HG2 GLN 63 HG2 GLN 63 -5.510 -7.833 0.720 407 HG3 GLN 63 HG3 GLN 63 -3.797 -7.616 1.108 408 HE21 GLN 63 HE21 GLN 63 -3.193 -9.759 1.238 409 HE22 GLN 63 HE22 GLN 63 -3.858 -10.861 2.445 410 H ALA 64 H ALA 64 -7.613 -4.747 1.354 411 HA ALA 64 HA ALA 64 -7.917 -6.073 -1.229 412 HB1 ALA 64 HB1 ALA 64 -9.637 -6.297 0.469 413 HB2 ALA 64 HB2 ALA 64 -9.853 -4.537 0.552 414 HB3 ALA 64 HB3 ALA 64 -10.304 -5.423 -0.923 415 H LEU 65 H LEU 65 -7.415 -2.742 -0.099 416 HA LEU 65 HA LEU 65 -8.021 -1.465 -2.572 417 HB2 LEU 65 HB2 LEU 65 -6.429 -0.709 -0.149 418 HB3 LEU 65 HB3 LEU 65 -6.437 0.314 -1.557 419 HG LEU 65 HG LEU 65 -9.002 -0.573 -0.153 420 HD11 LEU 65 HD11 LEU 65 -7.650 0.715 1.415 421 HD12 LEU 65 HD12 LEU 65 -9.008 1.690 0.851 422 HD13 LEU 65 HD13 LEU 65 -7.385 1.981 0.185 423 HD21 LEU 65 HD21 LEU 65 -8.416 1.658 -2.147 424 HD22 LEU 65 HD22 LEU 65 -9.967 1.397 -1.316 425 HD23 LEU 65 HD23 LEU 65 -9.372 0.188 -2.451 426 H LEU 66 H LEU 66 -5.051 -2.765 -1.201 427 HA LEU 66 HA LEU 66 -3.282 -2.216 -3.421 428 HB2 LEU 66 HB2 LEU 66 -3.191 -4.167 -1.092 429 HB3 LEU 66 HB3 LEU 66 -1.859 -3.947 -2.218 430 HG LEU 66 HG LEU 66 -2.955 -1.553 -0.703 431 HD11 LEU 66 HD11 LEU 66 -2.470 -3.198 1.034 432 HD12 LEU 66 HD12 LEU 66 -1.210 -1.969 1.012 433 HD13 LEU 66 HD13 LEU 66 -0.892 -3.563 0.290 434 HD21 LEU 66 HD21 LEU 66 -1.387 -1.131 -2.553 435 HD22 LEU 66 HD22 LEU 66 -0.207 -2.245 -1.821 436 HD23 LEU 66 HD23 LEU 66 -0.653 -0.740 -0.992 437 H GLU 67 H GLU 67 -5.171 -5.135 -2.491 438 HA GLU 67 HA GLU 67 -4.497 -6.738 -4.773 439 HB2 GLU 67 HB2 GLU 67 -6.765 -6.641 -2.775 440 HB3 GLU 67 HB3 GLU 67 -6.876 -7.720 -4.106 441 HG2 GLU 67 HG2 GLU 67 -4.368 -8.393 -3.292 442 HG3 GLU 67 HG3 GLU 67 -4.990 -7.812 -1.756 443 H GLY 68 H GLY 68 -7.017 -4.252 -4.326 444 HA2 GLY 68 HA2 GLY 68 -8.317 -4.463 -6.847 445 HA3 GLY 68 HA3 GLY 68 -8.208 -3.023 -5.828 446 H THR 69 H THR 69 -5.050 -3.751 -6.385 447 HA THR 69 HA THR 69 -4.815 -2.063 -8.817 448 HB THR 69 HB THR 69 -2.523 -1.749 -8.318 449 HG1 THR 69 HG1 THR 69 -2.690 -3.626 -6.235 450 HG21 THR 69 HG21 THR 69 -4.221 -0.613 -6.903 451 HG22 THR 69 HG22 THR 69 -2.605 -0.731 -6.196 452 HG23 THR 69 HG23 THR 69 -3.896 -1.789 -5.627 453 H GLY 70 H GLY 70 -5.187 -5.356 -8.171 454 HA2 GLY 70 HA2 GLY 70 -5.500 -6.883 -9.932 455 HA3 GLY 70 HA3 GLY 70 -4.390 -5.991 -10.953 456 H ARG 71 H ARG 71 -3.196 -6.749 -7.758 457 HA ARG 71 HA ARG 71 -1.648 -9.100 -8.675 458 HB2 ARG 71 HB2 ARG 71 0.494 -7.968 -8.071 459 HB3 ARG 71 HB3 ARG 71 -0.310 -7.262 -9.462 460 HG2 ARG 71 HG2 ARG 71 -1.211 -5.439 -8.020 461 HG3 ARG 71 HG3 ARG 71 -0.421 -6.153 -6.621 462 HD2 ARG 71 HD2 ARG 71 0.893 -4.299 -7.366 463 HD3 ARG 71 HD3 ARG 71 1.786 -5.775 -7.688 464 HE ARG 71 HE ARG 71 1.767 -5.271 -9.956 465 HH11 ARG 71 HH11 ARG 71 -1.012 -3.524 -8.634 466 HH12 ARG 71 HH12 ARG 71 -1.228 -2.712 -10.178 467 HH21 ARG 71 HH21 ARG 71 1.569 -3.744 -11.672 468 HH22 ARG 71 HH22 ARG 71 0.119 -2.775 -11.704 469 H GLN 72 H GLN 72 -0.154 -9.814 -6.913 470 HA GLN 72 HA GLN 72 -1.562 -10.335 -4.482 471 HB2 GLN 72 HB2 GLN 72 -0.059 -11.911 -5.436 472 HB3 GLN 72 HB3 GLN 72 1.313 -10.810 -5.336 473 HG2 GLN 72 HG2 GLN 72 0.145 -11.307 -2.677 474 HG3 GLN 72 HG3 GLN 72 0.482 -12.811 -3.496 475 HE21 GLN 72 HE21 GLN 72 1.864 -10.952 -1.243 476 HE22 GLN 72 HE22 GLN 72 3.541 -11.266 -1.633 477 H ALA 73 H ALA 73 -1.432 -9.587 -2.575 478 HA ALA 73 HA ALA 73 0.489 -7.495 -1.619 479 HB1 ALA 73 HB1 ALA 73 -1.393 -6.260 -2.650 480 HB2 ALA 73 HB2 ALA 73 -2.546 -7.145 -1.629 481 HB3 ALA 73 HB3 ALA 73 -1.355 -6.058 -0.882 482 H VAL 74 H VAL 74 1.263 -8.332 0.184 483 HA VAL 74 HA VAL 74 -0.482 -9.806 2.129 484 HB VAL 74 HB VAL 74 2.272 -10.547 1.108 485 HG11 VAL 74 HG11 VAL 74 0.760 -11.728 3.483 486 HG12 VAL 74 HG12 VAL 74 2.191 -12.460 2.723 487 HG13 VAL 74 HG13 VAL 74 2.336 -10.902 3.530 488 HG21 VAL 74 HG21 VAL 74 1.244 -12.675 0.512 489 HG22 VAL 74 HG22 VAL 74 -0.299 -12.175 1.240 490 HG23 VAL 74 HG23 VAL 74 0.293 -11.371 -0.218 491 H LEU 75 H LEU 75 -0.374 -8.932 4.108 492 HA LEU 75 HA LEU 75 1.502 -6.785 4.639 493 HB2 LEU 75 HB2 LEU 75 -0.823 -6.800 5.338 494 HB3 LEU 75 HB3 LEU 75 -0.485 -8.039 6.499 495 HG LEU 75 HG LEU 75 0.858 -6.565 7.870 496 HD11 LEU 75 HD11 LEU 75 2.352 -5.368 6.409 497 HD12 LEU 75 HD12 LEU 75 1.299 -4.126 7.039 498 HD13 LEU 75 HD13 LEU 75 1.007 -4.754 5.420 499 HD21 LEU 75 HD21 LEU 75 -1.552 -5.992 7.652 500 HD22 LEU 75 HD22 LEU 75 -1.045 -4.850 6.346 501 HD23 LEU 75 HD23 LEU 75 -0.524 -4.574 8.048 502 H LYS 76 H LYS 76 3.185 -6.731 5.813 503 HA LYS 76 HA LYS 76 4.395 -9.263 6.861 504 HB2 LYS 76 HB2 LYS 76 5.790 -6.682 6.070 505 HB3 LYS 76 HB3 LYS 76 6.557 -8.180 6.547 506 HG2 LYS 76 HG2 LYS 76 4.837 -7.810 4.055 507 HG3 LYS 76 HG3 LYS 76 6.587 -7.740 4.084 508 HD2 LYS 76 HD2 LYS 76 5.037 -10.236 4.918 509 HD3 LYS 76 HD3 LYS 76 5.549 -9.907 3.266 510 HE2 LYS 76 HE2 LYS 76 7.923 -9.620 4.140 511 HE3 LYS 76 HE3 LYS 76 7.356 -10.275 5.684 512 HZ1 LYS 76 HZ1 LYS 76 7.250 -11.647 3.047 513 HZ2 LYS 76 HZ2 LYS 76 6.667 -12.284 4.460 514 HZ3 LYS 76 HZ3 LYS 76 8.280 -11.995 4.263 515 H GLY 77 H GLY 77 3.628 -5.939 7.748 516 HA2 GLY 77 HA2 GLY 77 2.649 -6.398 10.175 517 HA3 GLY 77 HA3 GLY 77 4.377 -6.263 10.561 518 H MET 78 H MET 78 3.680 -4.430 11.819 519 HA MET 78 HA MET 78 2.887 -1.999 10.336 520 HB2 MET 78 HB2 MET 78 2.532 -2.885 13.221 521 HB3 MET 78 HB3 MET 78 2.201 -1.261 12.622 522 HG2 MET 78 HG2 MET 78 0.112 -2.316 12.568 523 HG3 MET 78 HG3 MET 78 0.660 -2.286 10.901 524 HE1 MET 78 HE1 MET 78 -1.804 -4.057 11.784 525 HE2 MET 78 HE2 MET 78 -1.098 -3.809 10.169 526 HE3 MET 78 HE3 MET 78 -1.424 -5.460 10.755 527 H GLY 79 H GLY 79 3.847 -0.050 10.766 528 HA2 GLY 79 HA2 GLY 79 6.649 0.038 11.693 529 HA3 GLY 79 HA3 GLY 79 5.701 1.400 11.119 Start of MODEL 7 1 H GLY 9 H GLY 9 -10.122 3.861 12.346 2 HA2 GLY 9 HA2 GLY 9 -8.942 3.352 14.945 3 HA3 GLY 9 HA3 GLY 9 -8.227 3.153 13.345 4 H THR 10 H THR 10 -6.404 4.026 14.009 5 HA THR 10 HA THR 10 -6.179 6.984 14.140 6 HB THR 10 HB THR 10 -6.160 6.202 16.419 7 HG1 THR 10 HG1 THR 10 -4.588 7.458 16.978 8 HG21 THR 10 HG21 THR 10 -5.112 3.963 16.153 9 HG22 THR 10 HG22 THR 10 -4.257 4.952 17.346 10 HG23 THR 10 HG23 THR 10 -3.574 4.739 15.723 11 H LEU 11 H LEU 11 -4.203 7.814 13.499 12 HA LEU 11 HA LEU 11 -3.366 6.564 11.102 13 HB2 LEU 11 HB2 LEU 11 -3.296 9.123 12.037 14 HB3 LEU 11 HB3 LEU 11 -1.620 8.645 12.299 15 HG LEU 11 HG LEU 11 -1.875 9.904 10.290 16 HD11 LEU 11 HD11 LEU 11 -1.229 7.067 9.463 17 HD12 LEU 11 HD12 LEU 11 -0.123 8.147 10.348 18 HD13 LEU 11 HD13 LEU 11 -0.692 8.602 8.735 19 HD21 LEU 11 HD21 LEU 11 -4.134 9.397 9.620 20 HD22 LEU 11 HD22 LEU 11 -3.730 7.697 9.332 21 HD23 LEU 11 HD23 LEU 11 -3.040 8.941 8.295 22 H CYS 12 H CYS 12 -1.844 5.253 10.588 23 HA CYS 12 HA CYS 12 0.613 4.704 12.102 24 HB2 CYS 12 HB2 CYS 12 -1.691 2.720 11.875 25 HB3 CYS 12 HB3 CYS 12 -0.013 2.181 12.070 26 HG CYS 12 HG CYS 12 -1.220 4.535 14.002 27 H THR 13 H THR 13 2.087 3.418 10.913 28 HA THR 13 HA THR 13 1.688 3.438 7.966 29 HB THR 13 HB THR 13 4.155 3.012 9.658 30 HG1 THR 13 HG1 THR 13 3.818 5.169 7.947 31 HG21 THR 13 HG21 THR 13 5.407 3.317 7.559 32 HG22 THR 13 HG22 THR 13 3.879 3.355 6.640 33 HG23 THR 13 HG23 THR 13 4.395 1.869 7.471 34 H LEU 14 H LEU 14 0.768 1.672 7.178 35 HA LEU 14 HA LEU 14 1.361 -1.064 8.188 36 HB2 LEU 14 HB2 LEU 14 -0.435 0.130 6.062 37 HB3 LEU 14 HB3 LEU 14 -0.126 -1.597 6.172 38 HG LEU 14 HG LEU 14 -1.299 -1.899 8.131 39 HD11 LEU 14 HD11 LEU 14 -0.423 -0.114 9.518 40 HD12 LEU 14 HD12 LEU 14 -2.163 -0.253 9.623 41 HD13 LEU 14 HD13 LEU 14 -1.440 1.081 8.672 42 HD21 LEU 14 HD21 LEU 14 -2.702 0.377 6.659 43 HD22 LEU 14 HD22 LEU 14 -3.495 -0.768 7.751 44 HD23 LEU 14 HD23 LEU 14 -2.788 -1.348 6.233 45 H GLU 15 H GLU 15 3.038 -2.227 7.418 46 HA GLU 15 HA GLU 15 4.374 -1.437 4.859 47 HB2 GLU 15 HB2 GLU 15 5.416 -3.177 7.121 48 HB3 GLU 15 HB3 GLU 15 6.273 -2.748 5.645 49 HG2 GLU 15 HG2 GLU 15 6.080 -0.355 6.266 50 HG3 GLU 15 HG3 GLU 15 5.394 -0.823 7.829 51 H PHE 16 H PHE 16 3.303 -2.455 3.252 52 HA PHE 16 HA PHE 16 2.641 -5.372 3.546 53 HB2 PHE 16 HB2 PHE 16 1.750 -3.296 1.509 54 HB3 PHE 16 HB3 PHE 16 1.386 -5.013 1.417 55 HD1 PHE 16 HD1 PHE 16 0.634 -1.931 3.298 56 HD2 PHE 16 HD2 PHE 16 -0.274 -6.102 2.684 57 HE1 PHE 16 HE1 PHE 16 -1.582 -1.607 4.359 58 HE2 PHE 16 HE2 PHE 16 -2.481 -5.783 3.785 59 HZ PHE 16 HZ PHE 16 -3.150 -3.539 4.592 60 H ALA 17 H ALA 17 3.285 -6.867 2.256 61 HA ALA 17 HA ALA 17 5.438 -6.334 0.240 62 HB1 ALA 17 HB1 ALA 17 5.960 -8.075 1.880 63 HB2 ALA 17 HB2 ALA 17 4.492 -8.972 1.415 64 HB3 ALA 17 HB3 ALA 17 5.823 -8.741 0.240 65 H VAL 18 H VAL 18 5.137 -6.754 -1.912 66 HA VAL 18 HA VAL 18 2.488 -7.667 -2.970 67 HB VAL 18 HB VAL 18 2.607 -5.674 -4.552 68 HG11 VAL 18 HG11 VAL 18 0.959 -5.736 -2.745 69 HG12 VAL 18 HG12 VAL 18 2.134 -5.033 -1.610 70 HG13 VAL 18 HG13 VAL 18 1.557 -4.098 -3.005 71 HG21 VAL 18 HG21 VAL 18 4.458 -4.550 -2.433 72 HG22 VAL 18 HG22 VAL 18 4.959 -5.040 -4.074 73 HG23 VAL 18 HG23 VAL 18 3.791 -3.727 -3.843 74 H GLN 19 H GLN 19 2.586 -7.942 -5.408 75 HA GLN 19 HA GLN 19 5.383 -8.475 -6.323 76 HB2 GLN 19 HB2 GLN 19 4.573 -10.026 -7.965 77 HB3 GLN 19 HB3 GLN 19 4.313 -10.544 -6.306 78 HG2 GLN 19 HG2 GLN 19 1.912 -10.043 -6.474 79 HG3 GLN 19 HG3 GLN 19 2.133 -9.443 -8.122 80 HE21 GLN 19 HE21 GLN 19 2.969 -11.035 -9.790 81 HE22 GLN 19 HE22 GLN 19 2.560 -12.726 -9.543 82 H MET 20 H MET 20 5.921 -6.423 -6.948 83 HA MET 20 HA MET 20 5.222 -5.968 -9.747 84 HB2 MET 20 HB2 MET 20 5.134 -3.463 -9.354 85 HB3 MET 20 HB3 MET 20 3.686 -4.351 -8.887 86 HG2 MET 20 HG2 MET 20 4.065 -4.077 -6.595 87 HG3 MET 20 HG3 MET 20 5.794 -3.825 -6.799 88 HE1 MET 20 HE1 MET 20 4.771 -0.526 -5.142 89 HE2 MET 20 HE2 MET 20 3.840 -2.010 -4.941 90 HE3 MET 20 HE3 MET 20 5.624 -2.107 -5.033 91 H THR 21 H THR 21 7.021 -5.092 -10.897 92 HA THR 21 HA THR 21 9.380 -4.190 -9.403 93 HB THR 21 HB THR 21 9.345 -6.669 -9.263 94 HG1 THR 21 HG1 THR 21 11.213 -5.864 -8.702 95 HG21 THR 21 HG21 THR 21 10.356 -6.581 -12.111 96 HG22 THR 21 HG22 THR 21 8.800 -7.262 -11.559 97 HG23 THR 21 HG23 THR 21 10.323 -7.978 -11.006 98 H CYS 22 H CYS 22 7.581 -3.822 -12.166 99 HA CYS 22 HA CYS 22 9.843 -2.384 -13.462 100 HB2 CYS 22 HB2 CYS 22 9.241 -3.089 -15.384 101 HB3 CYS 22 HB3 CYS 22 8.084 -4.144 -14.626 102 H GLN 23 H GLN 23 9.533 -0.249 -14.221 103 HA GLN 23 HA GLN 23 8.694 1.412 -12.087 104 HB2 GLN 23 HB2 GLN 23 9.562 2.165 -14.877 105 HB3 GLN 23 HB3 GLN 23 9.327 3.308 -13.558 106 HG2 GLN 23 HG2 GLN 23 11.347 1.031 -13.588 107 HG3 GLN 23 HG3 GLN 23 11.694 2.732 -13.834 108 HE21 GLN 23 HE21 GLN 23 11.556 0.268 -11.478 109 HE22 GLN 23 HE22 GLN 23 11.656 1.322 -10.063 110 H SER 24 H SER 24 6.692 0.374 -14.741 111 HA SER 24 HA SER 24 4.775 2.603 -14.574 112 HB2 SER 24 HB2 SER 24 4.439 -0.185 -15.767 113 HB3 SER 24 HB3 SER 24 3.395 1.219 -16.051 114 HG SER 24 HG SER 24 4.985 0.821 -17.735 115 H CYS 25 H CYS 25 5.164 -0.430 -12.840 116 HA CYS 25 HA CYS 25 2.370 -0.494 -11.962 117 HB2 CYS 25 HB2 CYS 25 4.789 -2.200 -11.305 118 HB3 CYS 25 HB3 CYS 25 3.117 -2.531 -10.828 119 H VAL 26 H VAL 26 5.545 0.361 -10.616 120 HA VAL 26 HA VAL 26 5.050 1.043 -7.978 121 HB VAL 26 HB VAL 26 6.517 3.043 -9.716 122 HG11 VAL 26 HG11 VAL 26 8.219 2.920 -7.998 123 HG12 VAL 26 HG12 VAL 26 6.656 3.106 -7.177 124 HG13 VAL 26 HG13 VAL 26 7.457 1.508 -7.269 125 HG21 VAL 26 HG21 VAL 26 8.457 1.587 -9.889 126 HG22 VAL 26 HG22 VAL 26 7.414 0.213 -9.393 127 HG23 VAL 26 HG23 VAL 26 7.044 1.133 -10.861 128 H ASP 27 H ASP 27 4.550 3.158 -10.841 129 HA ASP 27 HA ASP 27 3.248 5.293 -9.490 130 HB2 ASP 27 HB2 ASP 27 4.287 5.132 -11.894 131 HB3 ASP 27 HB3 ASP 27 2.721 4.509 -12.371 132 H ALA 28 H ALA 28 1.971 2.380 -11.106 133 HA ALA 28 HA ALA 28 -0.790 3.276 -11.005 134 HB1 ALA 28 HB1 ALA 28 0.356 0.477 -11.319 135 HB2 ALA 28 HB2 ALA 28 -1.297 0.998 -11.723 136 HB3 ALA 28 HB3 ALA 28 0.089 1.645 -12.635 137 H VAL 29 H VAL 29 1.182 1.197 -8.865 138 HA VAL 29 HA VAL 29 -0.968 0.580 -7.108 139 HB VAL 29 HB VAL 29 2.046 0.300 -6.785 140 HG11 VAL 29 HG11 VAL 29 0.839 0.184 -4.613 141 HG12 VAL 29 HG12 VAL 29 -0.238 -1.059 -5.317 142 HG13 VAL 29 HG13 VAL 29 1.492 -1.396 -5.090 143 HG21 VAL 29 HG21 VAL 29 0.922 -1.081 -8.701 144 HG22 VAL 29 HG22 VAL 29 1.785 -2.000 -7.466 145 HG23 VAL 29 HG23 VAL 29 0.027 -1.893 -7.438 146 H ARG 30 H ARG 30 1.655 3.035 -7.028 147 HA ARG 30 HA ARG 30 0.986 4.323 -4.537 148 HB2 ARG 30 HB2 ARG 30 1.988 5.346 -7.264 149 HB3 ARG 30 HB3 ARG 30 1.772 6.430 -5.902 150 HG2 ARG 30 HG2 ARG 30 3.549 5.533 -4.692 151 HG3 ARG 30 HG3 ARG 30 3.565 4.026 -5.610 152 HD2 ARG 30 HD2 ARG 30 4.634 4.977 -7.489 153 HD3 ARG 30 HD3 ARG 30 4.235 6.639 -6.986 154 HE ARG 30 HE ARG 30 5.862 5.615 -4.961 155 HH11 ARG 30 HH11 ARG 30 6.370 6.277 -8.432 156 HH12 ARG 30 HH12 ARG 30 8.065 6.519 -8.141 157 HH21 ARG 30 HH21 ARG 30 7.967 5.912 -4.791 158 HH22 ARG 30 HH22 ARG 30 8.978 6.015 -6.228 159 H LYS 31 H LYS 31 -0.512 4.686 -7.787 160 HA LYS 31 HA LYS 31 -2.132 6.861 -6.792 161 HB2 LYS 31 HB2 LYS 31 -1.926 5.515 -9.471 162 HB3 LYS 31 HB3 LYS 31 -3.099 6.819 -9.121 163 HG2 LYS 31 HG2 LYS 31 -1.312 8.253 -8.236 164 HG3 LYS 31 HG3 LYS 31 -0.119 6.980 -8.481 165 HD2 LYS 31 HD2 LYS 31 -0.482 7.142 -10.935 166 HD3 LYS 31 HD3 LYS 31 -1.581 8.533 -10.644 167 HE2 LYS 31 HE2 LYS 31 0.151 9.642 -9.323 168 HE3 LYS 31 HE3 LYS 31 1.212 8.254 -9.478 169 HZ1 LYS 31 HZ1 LYS 31 1.850 9.977 -11.068 170 HZ2 LYS 31 HZ2 LYS 31 0.369 9.944 -11.768 171 HZ3 LYS 31 HZ3 LYS 31 1.366 8.613 -11.841 172 H SER 32 H SER 32 -2.817 3.454 -6.911 173 HA SER 32 HA SER 32 -5.664 3.642 -6.468 174 HB2 SER 32 HB2 SER 32 -4.636 1.508 -6.906 175 HB3 SER 32 HB3 SER 32 -3.624 1.627 -5.447 176 HG SER 32 HG SER 32 -5.453 0.355 -4.965 177 H LEU 33 H LEU 33 -2.869 3.978 -4.282 178 HA LEU 33 HA LEU 33 -4.390 4.164 -1.826 179 HB2 LEU 33 HB2 LEU 33 -1.616 5.257 -2.395 180 HB3 LEU 33 HB3 LEU 33 -2.247 4.727 -0.843 181 HG LEU 33 HG LEU 33 -1.734 2.858 -3.186 182 HD11 LEU 33 HD11 LEU 33 0.102 3.362 -0.833 183 HD12 LEU 33 HD12 LEU 33 0.357 3.973 -2.474 184 HD13 LEU 33 HD13 LEU 33 0.338 2.231 -2.193 185 HD21 LEU 33 HD21 LEU 33 -1.720 1.132 -1.507 186 HD22 LEU 33 HD22 LEU 33 -3.282 1.964 -1.544 187 HD23 LEU 33 HD23 LEU 33 -2.115 2.320 -0.238 188 H GLN 34 H GLN 34 -3.049 6.589 -4.112 189 HA GLN 34 HA GLN 34 -3.228 8.696 -2.243 190 HB2 GLN 34 HB2 GLN 34 -1.475 8.248 -3.842 191 HB3 GLN 34 HB3 GLN 34 -2.568 8.560 -5.195 192 HG2 GLN 34 HG2 GLN 34 -2.721 10.799 -4.698 193 HG3 GLN 34 HG3 GLN 34 -2.047 10.647 -3.052 194 HE21 GLN 34 HE21 GLN 34 -1.121 10.036 -6.486 195 HE22 GLN 34 HE22 GLN 34 0.594 10.378 -6.221 196 H GLY 35 H GLY 35 -4.760 10.101 -1.832 197 HA2 GLY 35 HA2 GLY 35 -6.705 11.375 -2.068 198 HA3 GLY 35 HA3 GLY 35 -7.109 10.551 -3.566 199 H VAL 36 H VAL 36 -6.447 8.211 -1.091 200 HA VAL 36 HA VAL 36 -9.272 7.541 -0.895 201 HB VAL 36 HB VAL 36 -6.755 6.245 0.176 202 HG11 VAL 36 HG11 VAL 36 -9.615 5.211 0.387 203 HG12 VAL 36 HG12 VAL 36 -8.141 4.296 0.768 204 HG13 VAL 36 HG13 VAL 36 -8.571 5.695 1.745 205 HG21 VAL 36 HG21 VAL 36 -7.135 6.067 -2.278 206 HG22 VAL 36 HG22 VAL 36 -7.289 4.500 -1.480 207 HG23 VAL 36 HG23 VAL 36 -8.747 5.390 -1.976 208 H ALA 37 H ALA 37 -10.530 7.758 0.699 209 HA ALA 37 HA ALA 37 -10.229 9.747 2.706 210 HB1 ALA 37 HB1 ALA 37 -12.387 9.102 1.725 211 HB2 ALA 37 HB2 ALA 37 -12.279 7.503 2.498 212 HB3 ALA 37 HB3 ALA 37 -12.428 8.967 3.492 213 H GLY 38 H GLY 38 -8.888 9.656 4.402 214 HA2 GLY 38 HA2 GLY 38 -8.344 8.919 6.609 215 HA3 GLY 38 HA3 GLY 38 -8.871 7.282 6.226 216 H VAL 39 H VAL 39 -6.980 8.351 3.641 217 HA VAL 39 HA VAL 39 -4.410 7.336 4.785 218 HB VAL 39 HB VAL 39 -5.176 7.987 1.918 219 HG11 VAL 39 HG11 VAL 39 -3.003 6.909 1.343 220 HG12 VAL 39 HG12 VAL 39 -2.777 8.404 2.240 221 HG13 VAL 39 HG13 VAL 39 -2.585 6.840 3.068 222 HG21 VAL 39 HG21 VAL 39 -6.218 5.892 2.734 223 HG22 VAL 39 HG22 VAL 39 -4.950 5.559 1.550 224 HG23 VAL 39 HG23 VAL 39 -4.632 5.305 3.275 225 H GLN 40 H GLN 40 -2.772 8.694 5.239 226 HA GLN 40 HA GLN 40 -3.046 11.627 4.657 227 HB2 GLN 40 HB2 GLN 40 -1.536 9.994 6.721 228 HB3 GLN 40 HB3 GLN 40 -0.942 11.565 6.234 229 HG2 GLN 40 HG2 GLN 40 -3.193 12.560 6.802 230 HG3 GLN 40 HG3 GLN 40 -3.653 10.986 7.457 231 HE21 GLN 40 HE21 GLN 40 -3.935 12.553 9.464 232 HE22 GLN 40 HE22 GLN 40 -2.500 12.654 10.475 233 H ASP 41 H ASP 41 -0.686 8.910 4.492 234 HA ASP 41 HA ASP 41 0.740 10.215 2.268 235 HB2 ASP 41 HB2 ASP 41 1.931 9.648 5.016 236 HB3 ASP 41 HB3 ASP 41 2.914 9.858 3.600 237 H VAL 42 H VAL 42 2.460 8.880 1.484 238 HA VAL 42 HA VAL 42 2.264 5.934 1.903 239 HB VAL 42 HB VAL 42 2.179 5.547 -0.520 240 HG11 VAL 42 HG11 VAL 42 -0.189 5.963 -0.836 241 HG12 VAL 42 HG12 VAL 42 0.126 5.423 0.826 242 HG13 VAL 42 HG13 VAL 42 -0.212 7.137 0.480 243 HG21 VAL 42 HG21 VAL 42 1.420 7.226 -2.130 244 HG22 VAL 42 HG22 VAL 42 1.454 8.485 -0.885 245 HG23 VAL 42 HG23 VAL 42 2.962 7.726 -1.428 246 H GLU 43 H GLU 43 4.080 4.735 0.999 247 HA GLU 43 HA GLU 43 6.101 6.173 -0.507 248 HB2 GLU 43 HB2 GLU 43 6.957 6.707 1.711 249 HB3 GLU 43 HB3 GLU 43 6.934 5.005 2.183 250 HG2 GLU 43 HG2 GLU 43 8.647 4.462 0.558 251 HG3 GLU 43 HG3 GLU 43 8.552 6.067 -0.160 252 H VAL 44 H VAL 44 6.822 4.828 -2.089 253 HA VAL 44 HA VAL 44 6.341 1.895 -1.742 254 HB VAL 44 HB VAL 44 6.155 3.682 -4.155 255 HG11 VAL 44 HG11 VAL 44 6.592 0.656 -4.182 256 HG12 VAL 44 HG12 VAL 44 5.924 1.619 -5.526 257 HG13 VAL 44 HG13 VAL 44 7.584 1.904 -4.982 258 HG21 VAL 44 HG21 VAL 44 4.151 3.082 -2.775 259 HG22 VAL 44 HG22 VAL 44 4.056 2.338 -4.389 260 HG23 VAL 44 HG23 VAL 44 4.560 1.360 -3.021 261 H HIS 45 H HIS 45 7.822 0.515 -1.707 262 HA HIS 45 HA HIS 45 10.565 1.243 -2.609 263 HB2 HIS 45 HB2 HIS 45 9.626 -0.655 -0.420 264 HB3 HIS 45 HB3 HIS 45 11.290 -0.589 -0.990 265 HD1 HIS 45 HD1 HIS 45 12.860 1.067 0.265 266 HD2 HIS 45 HD2 HIS 45 8.752 1.747 0.827 267 HE1 HIS 45 HE1 HIS 45 12.681 2.698 2.208 268 H LEU 46 H LEU 46 10.256 0.626 -4.670 269 HA LEU 46 HA LEU 46 9.180 -1.888 -5.600 270 HB2 LEU 46 HB2 LEU 46 9.503 0.391 -6.756 271 HB3 LEU 46 HB3 LEU 46 11.207 0.050 -6.852 272 HG LEU 46 HG LEU 46 9.871 -0.266 -8.930 273 HD11 LEU 46 HD11 LEU 46 12.085 -1.390 -8.542 274 HD12 LEU 46 HD12 LEU 46 11.029 -2.148 -9.728 275 HD13 LEU 46 HD13 LEU 46 11.192 -2.874 -8.126 276 HD21 LEU 46 HD21 LEU 46 8.816 -2.812 -7.655 277 HD22 LEU 46 HD22 LEU 46 8.410 -2.121 -9.245 278 HD23 LEU 46 HD23 LEU 46 7.876 -1.315 -7.764 279 H GLU 47 H GLU 47 12.373 -0.736 -4.616 280 HA GLU 47 HA GLU 47 13.905 -3.033 -5.405 281 HB2 GLU 47 HB2 GLU 47 14.358 -0.744 -3.473 282 HB3 GLU 47 HB3 GLU 47 15.523 -2.059 -3.607 283 HG2 GLU 47 HG2 GLU 47 15.731 -1.684 -6.042 284 HG3 GLU 47 HG3 GLU 47 14.589 -0.339 -5.937 285 H ASP 48 H ASP 48 11.658 -2.845 -2.822 286 HA ASP 48 HA ASP 48 12.665 -5.489 -1.829 287 HB2 ASP 48 HB2 ASP 48 12.026 -3.160 -0.282 288 HB3 ASP 48 HB3 ASP 48 10.696 -4.252 -0.062 289 H GLN 49 H GLN 49 10.378 -4.079 -3.783 290 HA GLN 49 HA GLN 49 8.195 -4.230 -4.259 291 HB2 GLN 49 HB2 GLN 49 8.216 -7.154 -3.561 292 HB3 GLN 49 HB3 GLN 49 7.259 -6.298 -4.768 293 HG2 GLN 49 HG2 GLN 49 9.287 -5.666 -6.031 294 HG3 GLN 49 HG3 GLN 49 10.105 -6.804 -5.008 295 HE21 GLN 49 HE21 GLN 49 10.715 -7.703 -7.136 296 HE22 GLN 49 HE22 GLN 49 9.629 -8.928 -7.833 297 H MET 50 H MET 50 8.488 -3.017 -2.048 298 HA MET 50 HA MET 50 6.393 -4.058 -0.250 299 HB2 MET 50 HB2 MET 50 8.444 -4.309 0.922 300 HB3 MET 50 HB3 MET 50 9.003 -2.697 0.479 301 HG2 MET 50 HG2 MET 50 7.644 -1.611 2.008 302 HG3 MET 50 HG3 MET 50 6.501 -2.937 2.152 303 HE1 MET 50 HE1 MET 50 6.633 -4.953 3.548 304 HE2 MET 50 HE2 MET 50 8.149 -5.528 2.795 305 HE3 MET 50 HE3 MET 50 8.010 -5.428 4.564 306 H VAL 51 H VAL 51 4.975 -2.503 0.689 307 HA VAL 51 HA VAL 51 5.147 0.289 -0.325 308 HB VAL 51 HB VAL 51 2.518 -1.238 -0.160 309 HG11 VAL 51 HG11 VAL 51 2.111 1.077 -0.145 310 HG12 VAL 51 HG12 VAL 51 3.513 1.427 -1.160 311 HG13 VAL 51 HG13 VAL 51 2.066 0.707 -1.891 312 HG21 VAL 51 HG21 VAL 51 3.758 -2.402 -1.868 313 HG22 VAL 51 HG22 VAL 51 2.578 -1.358 -2.651 314 HG23 VAL 51 HG23 VAL 51 4.296 -0.876 -2.601 315 H LEU 52 H LEU 52 4.847 1.804 1.136 316 HA LEU 52 HA LEU 52 3.734 1.170 3.820 317 HB2 LEU 52 HB2 LEU 52 5.418 3.496 2.811 318 HB3 LEU 52 HB3 LEU 52 4.609 3.475 4.359 319 HG LEU 52 HG LEU 52 5.965 1.430 4.978 320 HD11 LEU 52 HD11 LEU 52 7.433 2.126 2.438 321 HD12 LEU 52 HD12 LEU 52 6.713 0.553 2.868 322 HD13 LEU 52 HD13 LEU 52 8.129 1.128 3.741 323 HD21 LEU 52 HD21 LEU 52 6.550 3.809 5.632 324 HD22 LEU 52 HD22 LEU 52 7.613 3.883 4.223 325 HD23 LEU 52 HD23 LEU 52 7.945 2.722 5.527 326 H VAL 53 H VAL 53 1.925 1.921 4.432 327 HA VAL 53 HA VAL 53 0.596 4.183 3.001 328 HB VAL 53 HB VAL 53 -0.813 1.701 4.033 329 HG11 VAL 53 HG11 VAL 53 -2.154 3.828 3.948 330 HG12 VAL 53 HG12 VAL 53 -1.725 4.018 2.240 331 HG13 VAL 53 HG13 VAL 53 -2.736 2.657 2.761 332 HG21 VAL 53 HG21 VAL 53 -0.043 2.372 1.183 333 HG22 VAL 53 HG22 VAL 53 0.448 0.951 2.126 334 HG23 VAL 53 HG23 VAL 53 -1.236 1.133 1.643 335 H HIS 54 H HIS 54 0.528 5.793 4.406 336 HA HIS 54 HA HIS 54 0.431 5.359 7.330 337 HB2 HIS 54 HB2 HIS 54 0.622 7.966 5.786 338 HB3 HIS 54 HB3 HIS 54 0.904 7.722 7.478 339 HD1 HIS 54 HD1 HIS 54 3.390 7.933 8.016 340 HD2 HIS 54 HD2 HIS 54 2.611 6.155 4.279 341 HE1 HIS 54 HE1 HIS 54 5.651 7.340 6.999 342 H THR 55 H THR 55 -1.652 4.779 7.899 343 HA THR 55 HA THR 55 -3.897 6.552 7.111 344 HB THR 55 HB THR 55 -3.649 5.031 5.254 345 HG1 THR 55 HG1 THR 55 -5.743 5.640 6.020 346 HG21 THR 55 HG21 THR 55 -4.024 2.658 5.387 347 HG22 THR 55 HG22 THR 55 -4.231 2.717 7.151 348 HG23 THR 55 HG23 THR 55 -2.642 3.045 6.421 349 H THR 56 H THR 56 -5.889 6.202 8.210 350 HA THR 56 HA THR 56 -5.681 4.892 10.857 351 HB THR 56 HB THR 56 -7.748 5.942 11.395 352 HG1 THR 56 HG1 THR 56 -8.807 7.210 9.858 353 HG21 THR 56 HG21 THR 56 -7.189 8.225 11.294 354 HG22 THR 56 HG22 THR 56 -6.366 8.069 9.729 355 HG23 THR 56 HG23 THR 56 -5.629 7.421 11.202 356 H LEU 57 H LEU 57 -6.811 4.060 7.737 357 HA LEU 57 HA LEU 57 -9.098 2.509 8.179 358 HB2 LEU 57 HB2 LEU 57 -6.807 2.236 6.187 359 HB3 LEU 57 HB3 LEU 57 -8.299 1.342 6.003 360 HG LEU 57 HG LEU 57 -8.074 4.397 5.995 361 HD11 LEU 57 HD11 LEU 57 -8.554 2.414 3.731 362 HD12 LEU 57 HD12 LEU 57 -7.053 3.335 4.014 363 HD13 LEU 57 HD13 LEU 57 -8.552 4.185 3.601 364 HD21 LEU 57 HD21 LEU 57 -10.443 2.594 5.410 365 HD22 LEU 57 HD22 LEU 57 -10.389 4.341 5.132 366 HD23 LEU 57 HD23 LEU 57 -10.294 3.711 6.779 367 HA PRO 58 HA PRO 58 -7.583 -1.304 10.031 368 HB2 PRO 58 HB2 PRO 58 -9.447 -2.923 8.404 369 HB3 PRO 58 HB3 PRO 58 -9.469 -2.672 10.164 370 HG2 PRO 58 HG2 PRO 58 -11.387 -1.596 8.499 371 HG3 PRO 58 HG3 PRO 58 -10.785 -0.677 9.922 372 HD2 PRO 58 HD2 PRO 58 -9.761 -0.543 7.075 373 HD3 PRO 58 HD3 PRO 58 -10.408 0.797 7.985 374 H SER 59 H SER 59 -5.864 -2.754 9.335 375 HA SER 59 HA SER 59 -4.887 -2.325 6.699 376 HB2 SER 59 HB2 SER 59 -3.920 -4.808 7.972 377 HB3 SER 59 HB3 SER 59 -3.042 -3.440 7.274 378 HG SER 59 HG SER 59 -3.366 -3.993 9.784 379 H GLN 60 H GLN 60 -7.096 -4.705 7.855 380 HA GLN 60 HA GLN 60 -7.466 -6.528 5.784 381 HB2 GLN 60 HB2 GLN 60 -9.759 -4.990 7.077 382 HB3 GLN 60 HB3 GLN 60 -9.743 -6.663 6.522 383 HG2 GLN 60 HG2 GLN 60 -8.178 -7.226 8.387 384 HG3 GLN 60 HG3 GLN 60 -8.250 -5.544 8.937 385 HE21 GLN 60 HE21 GLN 60 -8.812 -7.345 10.757 386 HE22 GLN 60 HE22 GLN 60 -10.549 -7.504 11.023 387 H GLU 61 H GLU 61 -8.567 -3.123 5.892 388 HA GLU 61 HA GLU 61 -10.100 -3.285 3.411 389 HB2 GLU 61 HB2 GLU 61 -10.599 -1.858 5.475 390 HB3 GLU 61 HB3 GLU 61 -9.234 -0.820 4.987 391 HG2 GLU 61 HG2 GLU 61 -10.345 -0.431 2.806 392 HG3 GLU 61 HG3 GLU 61 -11.688 -1.464 3.373 393 H VAL 62 H VAL 62 -6.961 -1.917 4.467 394 HA VAL 62 HA VAL 62 -6.300 -0.718 1.984 395 HB VAL 62 HB VAL 62 -4.280 -1.700 4.035 396 HG11 VAL 62 HG11 VAL 62 -3.454 -0.659 1.926 397 HG12 VAL 62 HG12 VAL 62 -4.408 0.791 2.294 398 HG13 VAL 62 HG13 VAL 62 -3.059 0.306 3.354 399 HG21 VAL 62 HG21 VAL 62 -5.888 -0.576 5.424 400 HG22 VAL 62 HG22 VAL 62 -4.510 0.464 5.210 401 HG23 VAL 62 HG23 VAL 62 -5.997 0.792 4.285 402 H GLN 63 H GLN 63 -5.645 -3.973 3.377 403 HA GLN 63 HA GLN 63 -3.924 -5.033 1.404 404 HB2 GLN 63 HB2 GLN 63 -4.586 -6.214 3.491 405 HB3 GLN 63 HB3 GLN 63 -6.224 -6.362 2.895 406 HG2 GLN 63 HG2 GLN 63 -5.360 -7.735 0.950 407 HG3 GLN 63 HG3 GLN 63 -3.747 -7.668 1.686 408 HE21 GLN 63 HE21 GLN 63 -6.870 -9.209 1.729 409 HE22 GLN 63 HE22 GLN 63 -6.655 -10.103 3.237 410 H ALA 64 H ALA 64 -7.527 -4.755 1.332 411 HA ALA 64 HA ALA 64 -7.623 -6.109 -1.249 412 HB1 ALA 64 HB1 ALA 64 -9.677 -4.899 0.620 413 HB2 ALA 64 HB2 ALA 64 -10.099 -5.573 -0.973 414 HB3 ALA 64 HB3 ALA 64 -9.360 -6.600 0.272 415 H LEU 65 H LEU 65 -7.522 -2.736 -0.085 416 HA LEU 65 HA LEU 65 -8.106 -1.485 -2.569 417 HB2 LEU 65 HB2 LEU 65 -6.673 -0.640 -0.082 418 HB3 LEU 65 HB3 LEU 65 -6.693 0.395 -1.484 419 HG LEU 65 HG LEU 65 -9.243 -0.662 -0.184 420 HD11 LEU 65 HD11 LEU 65 -7.816 1.998 0.177 421 HD12 LEU 65 HD12 LEU 65 -8.023 0.732 1.413 422 HD13 LEU 65 HD13 LEU 65 -9.436 1.601 0.799 423 HD21 LEU 65 HD21 LEU 65 -10.292 1.230 -1.405 424 HD22 LEU 65 HD22 LEU 65 -9.568 0.065 -2.511 425 HD23 LEU 65 HD23 LEU 65 -8.732 1.597 -2.171 426 H LEU 66 H LEU 66 -5.084 -2.553 -1.099 427 HA LEU 66 HA LEU 66 -3.283 -1.919 -3.265 428 HB2 LEU 66 HB2 LEU 66 -3.234 -3.859 -0.922 429 HB3 LEU 66 HB3 LEU 66 -1.908 -3.759 -2.066 430 HG LEU 66 HG LEU 66 -2.831 -1.206 -0.729 431 HD11 LEU 66 HD11 LEU 66 -1.262 -1.631 1.120 432 HD12 LEU 66 HD12 LEU 66 -1.000 -3.289 0.524 433 HD13 LEU 66 HD13 LEU 66 -2.587 -2.791 1.144 434 HD21 LEU 66 HD21 LEU 66 -0.115 -2.295 -1.624 435 HD22 LEU 66 HD22 LEU 66 -0.409 -0.688 -0.941 436 HD23 LEU 66 HD23 LEU 66 -1.108 -1.120 -2.515 437 H GLU 67 H GLU 67 -5.036 -4.980 -2.402 438 HA GLU 67 HA GLU 67 -4.179 -6.404 -4.714 439 HB2 GLU 67 HB2 GLU 67 -6.458 -6.643 -2.763 440 HB3 GLU 67 HB3 GLU 67 -6.499 -7.644 -4.150 441 HG2 GLU 67 HG2 GLU 67 -3.859 -7.999 -3.232 442 HG3 GLU 67 HG3 GLU 67 -4.778 -7.819 -1.745 443 H GLY 68 H GLY 68 -6.751 -4.031 -4.435 444 HA2 GLY 68 HA2 GLY 68 -7.977 -4.347 -6.986 445 HA3 GLY 68 HA3 GLY 68 -7.869 -2.853 -6.050 446 H THR 69 H THR 69 -4.715 -3.704 -6.492 447 HA THR 69 HA THR 69 -4.351 -2.090 -8.957 448 HB THR 69 HB THR 69 -2.031 -1.852 -8.328 449 HG1 THR 69 HG1 THR 69 -2.552 -3.445 -6.069 450 HG21 THR 69 HG21 THR 69 -3.905 -1.403 -5.974 451 HG22 THR 69 HG22 THR 69 -3.465 -0.285 -7.287 452 HG23 THR 69 HG23 THR 69 -2.263 -0.791 -6.090 453 H GLY 70 H GLY 70 -5.070 -5.194 -8.537 454 HA2 GLY 70 HA2 GLY 70 -5.286 -6.601 -10.404 455 HA3 GLY 70 HA3 GLY 70 -3.938 -5.797 -11.203 456 H ARG 71 H ARG 71 -3.279 -6.672 -7.990 457 HA ARG 71 HA ARG 71 -1.733 -9.120 -8.597 458 HB2 ARG 71 HB2 ARG 71 0.345 -7.970 -7.784 459 HB3 ARG 71 HB3 ARG 71 -0.271 -7.396 -9.313 460 HG2 ARG 71 HG2 ARG 71 -1.399 -5.473 -7.964 461 HG3 ARG 71 HG3 ARG 71 -0.441 -6.023 -6.602 462 HD2 ARG 71 HD2 ARG 71 0.702 -4.204 -7.597 463 HD3 ARG 71 HD3 ARG 71 1.621 -5.627 -8.048 464 HE ARG 71 HE ARG 71 -0.244 -4.060 -9.807 465 HH11 ARG 71 HH11 ARG 71 2.418 -6.455 -9.800 466 HH12 ARG 71 HH12 ARG 71 2.572 -6.228 -11.537 467 HH21 ARG 71 HH21 ARG 71 0.158 -3.953 -11.966 468 HH22 ARG 71 HH22 ARG 71 1.473 -4.925 -12.629 469 H GLN 72 H GLN 72 -0.626 -9.923 -6.700 470 HA GLN 72 HA GLN 72 -2.258 -9.922 -4.315 471 HB2 GLN 72 HB2 GLN 72 0.311 -11.236 -5.129 472 HB3 GLN 72 HB3 GLN 72 -0.047 -11.169 -3.422 473 HG2 GLN 72 HG2 GLN 72 -2.167 -12.228 -5.304 474 HG3 GLN 72 HG3 GLN 72 -0.802 -13.240 -4.837 475 HE21 GLN 72 HE21 GLN 72 -3.617 -11.419 -3.437 476 HE22 GLN 72 HE22 GLN 72 -3.606 -12.357 -1.967 477 H ALA 73 H ALA 73 -1.775 -9.406 -2.352 478 HA ALA 73 HA ALA 73 0.328 -7.506 -1.501 479 HB1 ALA 73 HB1 ALA 73 -1.268 -5.886 -0.650 480 HB2 ALA 73 HB2 ALA 73 -1.505 -6.074 -2.403 481 HB3 ALA 73 HB3 ALA 73 -2.637 -6.833 -1.263 482 H VAL 74 H VAL 74 1.002 -8.181 0.398 483 HA VAL 74 HA VAL 74 -0.704 -9.726 2.320 484 HB VAL 74 HB VAL 74 2.073 -10.360 1.255 485 HG11 VAL 74 HG11 VAL 74 2.107 -12.271 2.871 486 HG12 VAL 74 HG12 VAL 74 2.258 -10.696 3.641 487 HG13 VAL 74 HG13 VAL 74 0.700 -11.558 3.681 488 HG21 VAL 74 HG21 VAL 74 -0.491 -11.999 1.391 489 HG22 VAL 74 HG22 VAL 74 0.217 -11.285 -0.079 490 HG23 VAL 74 HG23 VAL 74 1.074 -12.577 0.765 491 H LEU 75 H LEU 75 -0.542 -8.844 4.350 492 HA LEU 75 HA LEU 75 1.310 -6.646 4.760 493 HB2 LEU 75 HB2 LEU 75 -1.017 -6.653 5.460 494 HB3 LEU 75 HB3 LEU 75 -0.690 -7.864 6.643 495 HG LEU 75 HG LEU 75 0.482 -6.343 8.077 496 HD11 LEU 75 HD11 LEU 75 0.920 -4.647 5.584 497 HD12 LEU 75 HD12 LEU 75 2.134 -5.239 6.746 498 HD13 LEU 75 HD13 LEU 75 1.059 -3.953 7.210 499 HD21 LEU 75 HD21 LEU 75 -1.887 -5.684 7.562 500 HD22 LEU 75 HD22 LEU 75 -1.187 -4.603 6.307 501 HD23 LEU 75 HD23 LEU 75 -0.854 -4.285 8.045 502 H LYS 76 H LYS 76 2.973 -6.520 5.940 503 HA LYS 76 HA LYS 76 4.230 -8.992 7.082 504 HB2 LYS 76 HB2 LYS 76 5.547 -6.407 6.158 505 HB3 LYS 76 HB3 LYS 76 6.370 -7.784 6.827 506 HG2 LYS 76 HG2 LYS 76 4.868 -7.677 4.186 507 HG3 LYS 76 HG3 LYS 76 6.607 -7.790 4.415 508 HD2 LYS 76 HD2 LYS 76 4.506 -9.911 4.942 509 HD3 LYS 76 HD3 LYS 76 5.763 -9.951 3.723 510 HE2 LYS 76 HE2 LYS 76 6.345 -9.966 6.722 511 HE3 LYS 76 HE3 LYS 76 6.083 -11.426 5.772 512 HZ1 LYS 76 HZ1 LYS 76 7.983 -10.890 4.420 513 HZ2 LYS 76 HZ2 LYS 76 8.433 -10.937 5.972 514 HZ3 LYS 76 HZ3 LYS 76 8.261 -9.482 5.231 515 H GLY 77 H GLY 77 3.426 -5.646 7.870 516 HA2 GLY 77 HA2 GLY 77 2.318 -5.923 10.258 517 HA3 GLY 77 HA3 GLY 77 4.032 -5.990 10.722 518 H MET 78 H MET 78 3.123 -4.032 11.897 519 HA MET 78 HA MET 78 2.974 -1.588 10.277 520 HB2 MET 78 HB2 MET 78 2.247 -2.335 13.097 521 HB3 MET 78 HB3 MET 78 2.599 -0.645 12.721 522 HG2 MET 78 HG2 MET 78 0.189 -1.133 12.443 523 HG3 MET 78 HG3 MET 78 1.003 -0.556 11.004 524 HE1 MET 78 HE1 MET 78 -0.913 -3.523 12.694 525 HE2 MET 78 HE2 MET 78 -0.613 -4.863 11.560 526 HE3 MET 78 HE3 MET 78 0.715 -4.218 12.546 527 H GLY 79 H GLY 79 4.400 -0.173 10.010 528 HA2 GLY 79 HA2 GLY 79 7.041 -0.208 11.439 529 HA3 GLY 79 HA3 GLY 79 6.826 0.271 9.755 Start of MODEL 8 1 H GLY 9 H GLY 9 -10.545 4.755 14.670 2 HA2 GLY 9 HA2 GLY 9 -8.436 3.012 13.741 3 HA3 GLY 9 HA3 GLY 9 -9.369 3.797 12.450 4 H THR 10 H THR 10 -6.630 4.122 13.982 5 HA THR 10 HA THR 10 -6.502 7.077 13.825 6 HB THR 10 HB THR 10 -6.715 6.318 16.131 7 HG1 THR 10 HG1 THR 10 -5.366 7.732 16.859 8 HG21 THR 10 HG21 THR 10 -3.826 5.356 15.894 9 HG22 THR 10 HG22 THR 10 -5.201 4.244 15.933 10 HG23 THR 10 HG23 THR 10 -4.874 5.292 17.326 11 H LEU 11 H LEU 11 -4.495 7.951 13.403 12 HA LEU 11 HA LEU 11 -3.427 6.636 11.154 13 HB2 LEU 11 HB2 LEU 11 -3.579 9.242 11.907 14 HB3 LEU 11 HB3 LEU 11 -1.893 8.901 12.285 15 HG LEU 11 HG LEU 11 -2.104 9.995 10.158 16 HD11 LEU 11 HD11 LEU 11 -0.270 8.309 10.465 17 HD12 LEU 11 HD12 LEU 11 -0.749 8.680 8.803 18 HD13 LEU 11 HD13 LEU 11 -1.267 7.151 9.556 19 HD21 LEU 11 HD21 LEU 11 -3.083 8.735 8.200 20 HD22 LEU 11 HD22 LEU 11 -4.264 9.325 9.388 21 HD23 LEU 11 HD23 LEU 11 -3.808 7.620 9.349 22 H CYS 12 H CYS 12 -1.946 5.376 10.816 23 HA CYS 12 HA CYS 12 0.475 4.831 12.419 24 HB2 CYS 12 HB2 CYS 12 -1.750 2.792 11.898 25 HB3 CYS 12 HB3 CYS 12 -0.160 2.408 12.578 26 HG CYS 12 HG CYS 12 -2.659 4.182 13.767 27 H THR 13 H THR 13 2.011 3.443 11.212 28 HA THR 13 HA THR 13 1.596 3.481 8.251 29 HB THR 13 HB THR 13 4.077 3.028 9.903 30 HG1 THR 13 HG1 THR 13 3.048 5.219 9.671 31 HG21 THR 13 HG21 THR 13 5.299 3.321 7.765 32 HG22 THR 13 HG22 THR 13 3.755 3.346 6.887 33 HG23 THR 13 HG23 THR 13 4.295 1.868 7.724 34 H LEU 14 H LEU 14 0.902 1.737 7.294 35 HA LEU 14 HA LEU 14 1.492 -1.024 8.300 36 HB2 LEU 14 HB2 LEU 14 -0.458 0.181 6.335 37 HB3 LEU 14 HB3 LEU 14 -0.044 -1.528 6.302 38 HG LEU 14 HG LEU 14 -1.017 -1.997 8.377 39 HD11 LEU 14 HD11 LEU 14 -1.422 0.949 8.954 40 HD12 LEU 14 HD12 LEU 14 -0.267 -0.141 9.756 41 HD13 LEU 14 HD13 LEU 14 -1.990 -0.437 9.925 42 HD21 LEU 14 HD21 LEU 14 -2.788 0.114 7.060 43 HD22 LEU 14 HD22 LEU 14 -3.342 -1.160 8.159 44 HD23 LEU 14 HD23 LEU 14 -2.685 -1.589 6.576 45 H GLU 15 H GLU 15 3.076 -2.233 7.355 46 HA GLU 15 HA GLU 15 4.282 -1.294 4.774 47 HB2 GLU 15 HB2 GLU 15 5.548 -2.577 7.199 48 HB3 GLU 15 HB3 GLU 15 6.204 -2.837 5.577 49 HG2 GLU 15 HG2 GLU 15 6.300 -0.373 5.238 50 HG3 GLU 15 HG3 GLU 15 5.891 -0.150 6.949 51 H PHE 16 H PHE 16 3.167 -2.361 3.237 52 HA PHE 16 HA PHE 16 2.580 -5.274 3.602 53 HB2 PHE 16 HB2 PHE 16 1.587 -3.170 1.631 54 HB3 PHE 16 HB3 PHE 16 1.257 -4.876 1.459 55 HD1 PHE 16 HD1 PHE 16 0.491 -1.937 3.524 56 HD2 PHE 16 HD2 PHE 16 -0.348 -6.087 2.704 57 HE1 PHE 16 HE1 PHE 16 -1.683 -1.717 4.672 58 HE2 PHE 16 HE2 PHE 16 -2.568 -5.858 3.825 59 HZ PHE 16 HZ PHE 16 -3.238 -3.688 4.799 60 H ALA 17 H ALA 17 3.104 -6.800 2.194 61 HA ALA 17 HA ALA 17 5.299 -6.342 0.221 62 HB1 ALA 17 HB1 ALA 17 4.108 -8.894 1.401 63 HB2 ALA 17 HB2 ALA 17 5.413 -8.824 0.206 64 HB3 ALA 17 HB3 ALA 17 5.671 -8.150 1.826 65 H VAL 18 H VAL 18 4.828 -6.230 -1.930 66 HA VAL 18 HA VAL 18 2.311 -7.404 -3.012 67 HB VAL 18 HB VAL 18 1.814 -5.264 -4.166 68 HG11 VAL 18 HG11 VAL 18 0.801 -4.079 -2.300 69 HG12 VAL 18 HG12 VAL 18 0.616 -5.808 -2.038 70 HG13 VAL 18 HG13 VAL 18 1.852 -4.896 -1.130 71 HG21 VAL 18 HG21 VAL 18 2.721 -3.201 -3.279 72 HG22 VAL 18 HG22 VAL 18 3.843 -4.128 -2.245 73 HG23 VAL 18 HG23 VAL 18 4.002 -4.185 -4.011 74 H GLN 19 H GLN 19 2.399 -8.155 -5.042 75 HA GLN 19 HA GLN 19 5.015 -8.370 -6.250 76 HB2 GLN 19 HB2 GLN 19 3.319 -10.174 -6.117 77 HB3 GLN 19 HB3 GLN 19 2.311 -9.296 -7.269 78 HG2 GLN 19 HG2 GLN 19 4.177 -9.498 -8.963 79 HG3 GLN 19 HG3 GLN 19 5.095 -10.446 -7.783 80 HE21 GLN 19 HE21 GLN 19 4.093 -12.596 -7.084 81 HE22 GLN 19 HE22 GLN 19 3.015 -13.381 -8.241 82 H MET 20 H MET 20 5.710 -6.300 -6.922 83 HA MET 20 HA MET 20 4.778 -5.651 -9.663 84 HB2 MET 20 HB2 MET 20 5.200 -3.205 -9.163 85 HB3 MET 20 HB3 MET 20 3.717 -3.896 -8.503 86 HG2 MET 20 HG2 MET 20 4.561 -3.957 -6.301 87 HG3 MET 20 HG3 MET 20 6.228 -3.676 -6.827 88 HE1 MET 20 HE1 MET 20 5.659 -2.094 -4.585 89 HE2 MET 20 HE2 MET 20 4.709 -0.557 -4.708 90 HE3 MET 20 HE3 MET 20 3.881 -2.108 -4.788 91 H THR 21 H THR 21 6.324 -4.699 -11.072 92 HA THR 21 HA THR 21 9.102 -5.513 -10.312 93 HB THR 21 HB THR 21 9.200 -6.608 -12.541 94 HG1 THR 21 HG1 THR 21 7.348 -7.016 -13.604 95 HG21 THR 21 HG21 THR 21 6.965 -7.681 -10.765 96 HG22 THR 21 HG22 THR 21 8.708 -7.927 -10.501 97 HG23 THR 21 HG23 THR 21 7.935 -8.596 -11.938 98 H CYS 22 H CYS 22 7.430 -3.109 -12.312 99 HA CYS 22 HA CYS 22 10.068 -1.887 -12.770 100 HB2 CYS 22 HB2 CYS 22 10.033 -1.899 -15.077 101 HB3 CYS 22 HB3 CYS 22 9.473 -3.496 -14.647 102 H GLN 23 H GLN 23 9.770 0.274 -13.987 103 HA GLN 23 HA GLN 23 8.853 2.027 -12.090 104 HB2 GLN 23 HB2 GLN 23 10.543 2.311 -13.944 105 HB3 GLN 23 HB3 GLN 23 9.213 2.707 -15.022 106 HG2 GLN 23 HG2 GLN 23 10.397 4.696 -14.168 107 HG3 GLN 23 HG3 GLN 23 8.688 4.700 -13.740 108 HE21 GLN 23 HE21 GLN 23 11.664 3.210 -12.153 109 HE22 GLN 23 HE22 GLN 23 11.318 3.992 -10.624 110 H SER 24 H SER 24 6.935 0.962 -14.872 111 HA SER 24 HA SER 24 4.773 2.880 -14.598 112 HB2 SER 24 HB2 SER 24 4.721 0.087 -15.829 113 HB3 SER 24 HB3 SER 24 3.576 1.403 -16.131 114 HG SER 24 HG SER 24 6.356 1.342 -16.806 115 H CYS 25 H CYS 25 5.432 -0.162 -12.945 116 HA CYS 25 HA CYS 25 2.679 -0.570 -12.064 117 HB2 CYS 25 HB2 CYS 25 5.341 -1.857 -11.328 118 HB3 CYS 25 HB3 CYS 25 3.770 -2.408 -10.797 119 H VAL 26 H VAL 26 5.722 0.692 -10.766 120 HA VAL 26 HA VAL 26 5.115 1.227 -8.093 121 HB VAL 26 HB VAL 26 6.636 3.274 -9.718 122 HG11 VAL 26 HG11 VAL 26 6.641 3.263 -7.157 123 HG12 VAL 26 HG12 VAL 26 7.482 1.683 -7.277 124 HG13 VAL 26 HG13 VAL 26 8.249 3.132 -7.917 125 HG21 VAL 26 HG21 VAL 26 7.541 0.434 -9.332 126 HG22 VAL 26 HG22 VAL 26 7.287 1.347 -10.830 127 HG23 VAL 26 HG23 VAL 26 8.618 1.806 -9.765 128 H ASP 27 H ASP 27 4.648 3.393 -10.936 129 HA ASP 27 HA ASP 27 3.226 5.463 -9.603 130 HB2 ASP 27 HB2 ASP 27 4.225 5.268 -12.052 131 HB3 ASP 27 HB3 ASP 27 2.644 4.650 -12.461 132 H ALA 28 H ALA 28 2.133 2.391 -11.041 133 HA ALA 28 HA ALA 28 -0.685 3.112 -10.995 134 HB1 ALA 28 HB1 ALA 28 0.609 0.369 -11.218 135 HB2 ALA 28 HB2 ALA 28 -1.051 0.805 -11.653 136 HB3 ALA 28 HB3 ALA 28 0.306 1.485 -12.581 137 H VAL 29 H VAL 29 1.396 1.136 -8.768 138 HA VAL 29 HA VAL 29 -0.826 0.562 -7.053 139 HB VAL 29 HB VAL 29 2.167 0.200 -6.622 140 HG11 VAL 29 HG11 VAL 29 -0.213 -1.207 -5.364 141 HG12 VAL 29 HG12 VAL 29 1.499 -1.490 -4.991 142 HG13 VAL 29 HG13 VAL 29 0.754 0.058 -4.547 143 HG21 VAL 29 HG21 VAL 29 1.815 -2.141 -7.289 144 HG22 VAL 29 HG22 VAL 29 0.086 -1.848 -7.556 145 HG23 VAL 29 HG23 VAL 29 1.280 -1.122 -8.621 146 H ARG 30 H ARG 30 1.723 3.076 -7.115 147 HA ARG 30 HA ARG 30 1.072 4.339 -4.586 148 HB2 ARG 30 HB2 ARG 30 2.167 5.311 -7.294 149 HB3 ARG 30 HB3 ARG 30 1.854 6.434 -5.995 150 HG2 ARG 30 HG2 ARG 30 3.484 5.452 -4.557 151 HG3 ARG 30 HG3 ARG 30 3.649 4.026 -5.584 152 HD2 ARG 30 HD2 ARG 30 4.861 5.110 -7.247 153 HD3 ARG 30 HD3 ARG 30 4.363 6.735 -6.715 154 HE ARG 30 HE ARG 30 6.705 5.340 -5.975 155 HH11 ARG 30 HH11 ARG 30 4.439 7.606 -4.405 156 HH12 ARG 30 HH12 ARG 30 5.632 7.929 -3.165 157 HH21 ARG 30 HH21 ARG 30 8.037 5.887 -4.478 158 HH22 ARG 30 HH22 ARG 30 7.669 7.119 -3.304 159 H LYS 31 H LYS 31 -0.288 4.730 -7.899 160 HA LYS 31 HA LYS 31 -2.018 6.842 -7.017 161 HB2 LYS 31 HB2 LYS 31 -1.727 5.406 -9.633 162 HB3 LYS 31 HB3 LYS 31 -2.972 6.656 -9.346 163 HG2 LYS 31 HG2 LYS 31 -1.331 8.234 -8.517 164 HG3 LYS 31 HG3 LYS 31 -0.024 7.041 -8.628 165 HD2 LYS 31 HD2 LYS 31 -0.213 7.009 -11.042 166 HD3 LYS 31 HD3 LYS 31 -1.564 8.193 -10.982 167 HE2 LYS 31 HE2 LYS 31 -0.143 9.759 -9.732 168 HE3 LYS 31 HE3 LYS 31 1.181 8.586 -9.718 169 HZ1 LYS 31 HZ1 LYS 31 0.008 9.691 -12.215 170 HZ2 LYS 31 HZ2 LYS 31 1.352 8.732 -12.085 171 HZ3 LYS 31 HZ3 LYS 31 1.381 10.296 -11.537 172 H SER 32 H SER 32 -2.492 3.436 -6.961 173 HA SER 32 HA SER 32 -5.361 3.431 -6.622 174 HB2 SER 32 HB2 SER 32 -3.683 1.521 -7.018 175 HB3 SER 32 HB3 SER 32 -3.432 1.534 -5.264 176 HG SER 32 HG SER 32 -5.630 0.827 -6.835 177 H LEU 33 H LEU 33 -2.684 4.231 -4.448 178 HA LEU 33 HA LEU 33 -4.335 4.351 -2.009 179 HB2 LEU 33 HB2 LEU 33 -1.517 5.385 -2.439 180 HB3 LEU 33 HB3 LEU 33 -2.257 4.891 -0.927 181 HG LEU 33 HG LEU 33 -1.671 2.893 -3.144 182 HD11 LEU 33 HD11 LEU 33 0.422 4.139 -2.519 183 HD12 LEU 33 HD12 LEU 33 0.444 2.400 -2.211 184 HD13 LEU 33 HD13 LEU 33 0.215 3.542 -0.863 185 HD21 LEU 33 HD21 LEU 33 -1.564 1.314 -1.332 186 HD22 LEU 33 HD22 LEU 33 -3.142 2.125 -1.346 187 HD23 LEU 33 HD23 LEU 33 -1.907 2.583 -0.137 188 H GLN 34 H GLN 34 -2.856 6.603 -4.341 189 HA GLN 34 HA GLN 34 -3.055 8.942 -2.808 190 HB2 GLN 34 HB2 GLN 34 -1.449 8.428 -4.533 191 HB3 GLN 34 HB3 GLN 34 -2.735 8.318 -5.741 192 HG2 GLN 34 HG2 GLN 34 -3.106 10.620 -5.708 193 HG3 GLN 34 HG3 GLN 34 -2.047 10.899 -4.309 194 HE21 GLN 34 HE21 GLN 34 0.312 10.323 -4.726 195 HE22 GLN 34 HE22 GLN 34 0.857 10.493 -6.385 196 H GLY 35 H GLY 35 -4.691 10.263 -2.416 197 HA2 GLY 35 HA2 GLY 35 -6.725 11.364 -2.606 198 HA3 GLY 35 HA3 GLY 35 -7.078 10.511 -4.106 199 H VAL 36 H VAL 36 -6.278 8.465 -1.291 200 HA VAL 36 HA VAL 36 -9.126 7.681 -1.046 201 HB VAL 36 HB VAL 36 -6.585 6.397 0.004 202 HG11 VAL 36 HG11 VAL 36 -9.488 5.484 0.270 203 HG12 VAL 36 HG12 VAL 36 -8.062 4.508 0.670 204 HG13 VAL 36 HG13 VAL 36 -8.409 5.961 1.601 205 HG21 VAL 36 HG21 VAL 36 -7.162 4.585 -1.562 206 HG22 VAL 36 HG22 VAL 36 -8.607 5.471 -2.090 207 HG23 VAL 36 HG23 VAL 36 -6.986 6.100 -2.448 208 H ALA 37 H ALA 37 -10.293 8.224 0.624 209 HA ALA 37 HA ALA 37 -9.448 10.201 2.526 210 HB1 ALA 37 HB1 ALA 37 -11.710 9.914 3.468 211 HB2 ALA 37 HB2 ALA 37 -11.747 10.073 1.703 212 HB3 ALA 37 HB3 ALA 37 -11.956 8.474 2.454 213 H GLY 38 H GLY 38 -8.353 9.975 4.346 214 HA2 GLY 38 HA2 GLY 38 -7.826 9.107 6.474 215 HA3 GLY 38 HA3 GLY 38 -8.567 7.559 6.064 216 H VAL 39 H VAL 39 -6.553 8.584 3.494 217 HA VAL 39 HA VAL 39 -4.122 7.186 4.570 218 HB VAL 39 HB VAL 39 -5.093 7.611 1.727 219 HG11 VAL 39 HG11 VAL 39 -3.097 6.241 1.076 220 HG12 VAL 39 HG12 VAL 39 -2.629 7.787 1.775 221 HG13 VAL 39 HG13 VAL 39 -2.516 6.311 2.758 222 HG21 VAL 39 HG21 VAL 39 -5.160 5.146 1.627 223 HG22 VAL 39 HG22 VAL 39 -4.660 5.044 3.324 224 HG23 VAL 39 HG23 VAL 39 -6.235 5.742 2.895 225 H GLN 40 H GLN 40 -2.896 8.742 5.466 226 HA GLN 40 HA GLN 40 -3.050 11.550 4.556 227 HB2 GLN 40 HB2 GLN 40 -1.633 10.072 6.802 228 HB3 GLN 40 HB3 GLN 40 -1.350 11.763 6.498 229 HG2 GLN 40 HG2 GLN 40 -4.098 10.576 7.111 230 HG3 GLN 40 HG3 GLN 40 -3.022 11.328 8.297 231 HE21 GLN 40 HE21 GLN 40 -2.307 13.641 7.713 232 HE22 GLN 40 HE22 GLN 40 -3.653 14.663 7.149 233 H ASP 41 H ASP 41 -0.622 8.922 4.583 234 HA ASP 41 HA ASP 41 0.829 10.212 2.406 235 HB2 ASP 41 HB2 ASP 41 2.073 9.846 5.135 236 HB3 ASP 41 HB3 ASP 41 3.058 9.732 3.712 237 H VAL 42 H VAL 42 2.512 8.906 1.589 238 HA VAL 42 HA VAL 42 2.414 5.992 2.033 239 HB VAL 42 HB VAL 42 2.111 5.510 -0.330 240 HG11 VAL 42 HG11 VAL 42 -0.279 5.893 -0.510 241 HG12 VAL 42 HG12 VAL 42 0.145 5.452 1.155 242 HG13 VAL 42 HG13 VAL 42 -0.225 7.140 0.730 243 HG21 VAL 42 HG21 VAL 42 1.227 7.104 -1.962 244 HG22 VAL 42 HG22 VAL 42 1.366 8.421 -0.781 245 HG23 VAL 42 HG23 VAL 42 2.818 7.621 -1.414 246 H GLU 43 H GLU 43 4.231 4.854 1.149 247 HA GLU 43 HA GLU 43 5.962 6.251 -0.697 248 HB2 GLU 43 HB2 GLU 43 6.939 7.007 1.432 249 HB3 GLU 43 HB3 GLU 43 7.163 5.326 1.950 250 HG2 GLU 43 HG2 GLU 43 8.859 4.952 0.427 251 HG3 GLU 43 HG3 GLU 43 8.266 6.122 -0.743 252 H VAL 44 H VAL 44 6.874 4.881 -2.149 253 HA VAL 44 HA VAL 44 6.406 1.960 -1.711 254 HB VAL 44 HB VAL 44 6.243 3.647 -4.201 255 HG11 VAL 44 HG11 VAL 44 6.597 0.620 -4.110 256 HG12 VAL 44 HG12 VAL 44 5.985 1.552 -5.500 257 HG13 VAL 44 HG13 VAL 44 7.644 1.798 -4.938 258 HG21 VAL 44 HG21 VAL 44 4.118 2.318 -4.383 259 HG22 VAL 44 HG22 VAL 44 4.576 1.477 -2.916 260 HG23 VAL 44 HG23 VAL 44 4.214 3.215 -2.846 261 H HIS 45 H HIS 45 7.888 0.549 -1.805 262 HA HIS 45 HA HIS 45 10.634 1.283 -2.717 263 HB2 HIS 45 HB2 HIS 45 9.737 -0.571 -0.496 264 HB3 HIS 45 HB3 HIS 45 11.394 -0.433 -1.075 265 HD1 HIS 45 HD1 HIS 45 12.880 1.306 0.049 266 HD2 HIS 45 HD2 HIS 45 8.764 1.941 0.641 267 HE1 HIS 45 HE1 HIS 45 12.681 3.167 1.792 268 H LEU 46 H LEU 46 10.093 0.665 -4.799 269 HA LEU 46 HA LEU 46 9.070 -1.819 -5.669 270 HB2 LEU 46 HB2 LEU 46 9.436 0.369 -6.871 271 HB3 LEU 46 HB3 LEU 46 11.138 0.045 -6.947 272 HG LEU 46 HG LEU 46 9.710 -0.325 -9.023 273 HD11 LEU 46 HD11 LEU 46 11.037 -2.133 -9.848 274 HD12 LEU 46 HD12 LEU 46 11.485 -2.629 -8.205 275 HD13 LEU 46 HD13 LEU 46 12.015 -1.053 -8.840 276 HD21 LEU 46 HD21 LEU 46 9.027 -2.996 -7.744 277 HD22 LEU 46 HD22 LEU 46 8.593 -2.422 -9.361 278 HD23 LEU 46 HD23 LEU 46 7.883 -1.644 -7.936 279 H GLU 47 H GLU 47 12.349 -0.848 -4.787 280 HA GLU 47 HA GLU 47 13.679 -3.286 -5.666 281 HB2 GLU 47 HB2 GLU 47 14.442 -0.845 -4.089 282 HB3 GLU 47 HB3 GLU 47 15.481 -2.241 -3.977 283 HG2 GLU 47 HG2 GLU 47 14.615 -1.164 -6.680 284 HG3 GLU 47 HG3 GLU 47 15.993 -0.504 -5.807 285 H ASP 48 H ASP 48 11.861 -2.661 -2.760 286 HA ASP 48 HA ASP 48 12.841 -5.203 -1.587 287 HB2 ASP 48 HB2 ASP 48 11.997 -2.532 -0.502 288 HB3 ASP 48 HB3 ASP 48 11.395 -3.869 0.345 289 H GLN 49 H GLN 49 10.467 -4.127 -3.543 290 HA GLN 49 HA GLN 49 8.246 -4.302 -3.902 291 HB2 GLN 49 HB2 GLN 49 8.424 -7.135 -2.850 292 HB3 GLN 49 HB3 GLN 49 7.330 -6.472 -4.035 293 HG2 GLN 49 HG2 GLN 49 8.782 -7.649 -5.386 294 HG3 GLN 49 HG3 GLN 49 9.398 -6.007 -5.508 295 HE21 GLN 49 HE21 GLN 49 11.581 -6.607 -5.991 296 HE22 GLN 49 HE22 GLN 49 12.586 -7.396 -4.773 297 H MET 50 H MET 50 8.671 -2.924 -1.664 298 HA MET 50 HA MET 50 6.616 -3.888 0.260 299 HB2 MET 50 HB2 MET 50 9.102 -3.796 1.022 300 HB3 MET 50 HB3 MET 50 8.928 -2.054 0.975 301 HG2 MET 50 HG2 MET 50 8.221 -2.180 3.087 302 HG3 MET 50 HG3 MET 50 6.708 -2.799 2.504 303 HE1 MET 50 HE1 MET 50 7.901 -5.631 1.344 304 HE2 MET 50 HE2 MET 50 7.711 -6.761 2.693 305 HE3 MET 50 HE3 MET 50 6.369 -5.673 2.275 306 H VAL 51 H VAL 51 5.028 -2.393 0.929 307 HA VAL 51 HA VAL 51 5.334 0.437 -0.010 308 HB VAL 51 HB VAL 51 2.713 -1.121 0.003 309 HG11 VAL 51 HG11 VAL 51 2.160 0.870 -1.552 310 HG12 VAL 51 HG12 VAL 51 2.351 1.272 0.170 311 HG13 VAL 51 HG13 VAL 51 3.666 1.610 -0.965 312 HG21 VAL 51 HG21 VAL 51 2.975 -1.024 -2.504 313 HG22 VAL 51 HG22 VAL 51 4.675 -0.533 -2.254 314 HG23 VAL 51 HG23 VAL 51 4.123 -2.092 -1.682 315 H LEU 52 H LEU 52 5.233 1.904 1.435 316 HA LEU 52 HA LEU 52 4.126 1.466 4.149 317 HB2 LEU 52 HB2 LEU 52 5.679 3.747 2.822 318 HB3 LEU 52 HB3 LEU 52 4.950 3.890 4.389 319 HG LEU 52 HG LEU 52 6.389 1.790 5.034 320 HD11 LEU 52 HD11 LEU 52 7.238 1.156 2.840 321 HD12 LEU 52 HD12 LEU 52 8.573 1.732 3.844 322 HD13 LEU 52 HD13 LEU 52 7.887 2.799 2.601 323 HD21 LEU 52 HD21 LEU 52 8.292 3.293 5.582 324 HD22 LEU 52 HD22 LEU 52 6.736 4.071 5.924 325 HD23 LEU 52 HD23 LEU 52 7.645 4.510 4.465 326 H VAL 53 H VAL 53 2.197 2.053 4.670 327 HA VAL 53 HA VAL 53 0.781 4.216 3.168 328 HB VAL 53 HB VAL 53 -0.450 1.588 4.070 329 HG11 VAL 53 HG11 VAL 53 -2.459 2.416 2.875 330 HG12 VAL 53 HG12 VAL 53 -2.004 3.552 4.148 331 HG13 VAL 53 HG13 VAL 53 -1.609 3.918 2.457 332 HG21 VAL 53 HG21 VAL 53 0.229 2.553 1.280 333 HG22 VAL 53 HG22 VAL 53 0.865 1.119 2.114 334 HG23 VAL 53 HG23 VAL 53 -0.832 1.168 1.645 335 H HIS 54 H HIS 54 0.686 5.814 4.577 336 HA HIS 54 HA HIS 54 0.497 5.391 7.495 337 HB2 HIS 54 HB2 HIS 54 0.699 7.941 5.850 338 HB3 HIS 54 HB3 HIS 54 0.837 7.813 7.580 339 HD1 HIS 54 HD1 HIS 54 3.223 7.992 8.377 340 HD2 HIS 54 HD2 HIS 54 2.847 6.320 4.535 341 HE1 HIS 54 HE1 HIS 54 5.592 7.605 7.515 342 H THR 55 H THR 55 -1.601 4.778 8.046 343 HA THR 55 HA THR 55 -3.853 6.450 7.081 344 HB THR 55 HB THR 55 -3.503 4.805 5.335 345 HG1 THR 55 HG1 THR 55 -5.626 5.423 5.945 346 HG21 THR 55 HG21 THR 55 -4.098 2.634 7.395 347 HG22 THR 55 HG22 THR 55 -2.506 2.934 6.663 348 HG23 THR 55 HG23 THR 55 -3.865 2.425 5.648 349 H THR 56 H THR 56 -5.895 6.127 8.091 350 HA THR 56 HA THR 56 -5.840 5.027 10.836 351 HB THR 56 HB THR 56 -8.063 6.032 11.059 352 HG1 THR 56 HG1 THR 56 -8.824 7.288 9.273 353 HG21 THR 56 HG21 THR 56 -6.323 8.071 9.627 354 HG22 THR 56 HG22 THR 56 -5.971 7.485 11.263 355 HG23 THR 56 HG23 THR 56 -7.487 8.330 10.941 356 H LEU 57 H LEU 57 -6.582 3.791 7.758 357 HA LEU 57 HA LEU 57 -8.956 2.313 8.299 358 HB2 LEU 57 HB2 LEU 57 -6.735 1.986 6.241 359 HB3 LEU 57 HB3 LEU 57 -8.246 1.095 6.160 360 HG LEU 57 HG LEU 57 -8.003 4.137 6.005 361 HD11 LEU 57 HD11 LEU 57 -7.098 2.964 4.031 362 HD12 LEU 57 HD12 LEU 57 -8.600 3.817 3.647 363 HD13 LEU 57 HD13 LEU 57 -8.625 2.057 3.868 364 HD21 LEU 57 HD21 LEU 57 -10.388 3.985 5.231 365 HD22 LEU 57 HD22 LEU 57 -10.171 3.582 6.939 366 HD23 LEU 57 HD23 LEU 57 -10.405 2.290 5.742 367 HA PRO 58 HA PRO 58 -7.326 -1.522 10.057 368 HB2 PRO 58 HB2 PRO 58 -9.302 -3.200 8.731 369 HB3 PRO 58 HB3 PRO 58 -9.275 -2.681 10.433 370 HG2 PRO 58 HG2 PRO 58 -11.182 -1.821 8.590 371 HG3 PRO 58 HG3 PRO 58 -10.667 -0.850 10.006 372 HD2 PRO 58 HD2 PRO 58 -9.610 -0.738 7.174 373 HD3 PRO 58 HD3 PRO 58 -10.211 0.594 8.128 374 H SER 59 H SER 59 -5.740 -3.051 9.326 375 HA SER 59 HA SER 59 -4.962 -2.887 6.569 376 HB2 SER 59 HB2 SER 59 -3.764 -5.197 7.593 377 HB3 SER 59 HB3 SER 59 -3.055 -3.601 7.375 378 HG SER 59 HG SER 59 -3.893 -4.956 9.614 379 H GLN 60 H GLN 60 -7.311 -4.939 8.058 380 HA GLN 60 HA GLN 60 -7.512 -6.996 6.059 381 HB2 GLN 60 HB2 GLN 60 -9.829 -5.583 7.452 382 HB3 GLN 60 HB3 GLN 60 -9.807 -7.192 6.730 383 HG2 GLN 60 HG2 GLN 60 -8.170 -7.888 8.547 384 HG3 GLN 60 HG3 GLN 60 -8.388 -6.292 9.278 385 HE21 GLN 60 HE21 GLN 60 -9.256 -7.341 11.225 386 HE22 GLN 60 HE22 GLN 60 -10.884 -8.032 11.171 387 H GLU 61 H GLU 61 -8.611 -3.589 6.143 388 HA GLU 61 HA GLU 61 -10.224 -3.792 3.725 389 HB2 GLU 61 HB2 GLU 61 -10.548 -2.328 5.864 390 HB3 GLU 61 HB3 GLU 61 -9.310 -1.272 5.142 391 HG2 GLU 61 HG2 GLU 61 -10.716 -1.135 3.093 392 HG3 GLU 61 HG3 GLU 61 -11.970 -2.067 3.955 393 H VAL 62 H VAL 62 -7.123 -2.188 4.649 394 HA VAL 62 HA VAL 62 -6.566 -1.113 2.117 395 HB VAL 62 HB VAL 62 -4.451 -2.020 4.098 396 HG11 VAL 62 HG11 VAL 62 -3.263 -0.011 3.305 397 HG12 VAL 62 HG12 VAL 62 -3.696 -1.034 1.931 398 HG13 VAL 62 HG13 VAL 62 -4.655 0.415 2.277 399 HG21 VAL 62 HG21 VAL 62 -4.631 0.183 5.214 400 HG22 VAL 62 HG22 VAL 62 -6.152 0.479 4.326 401 HG23 VAL 62 HG23 VAL 62 -6.008 -0.847 5.502 402 H GLN 63 H GLN 63 -5.830 -4.383 3.421 403 HA GLN 63 HA GLN 63 -4.273 -5.377 1.223 404 HB2 GLN 63 HB2 GLN 63 -4.575 -6.609 3.290 405 HB3 GLN 63 HB3 GLN 63 -6.308 -6.673 3.066 406 HG2 GLN 63 HG2 GLN 63 -5.899 -8.041 0.956 407 HG3 GLN 63 HG3 GLN 63 -4.173 -8.055 1.391 408 HE21 GLN 63 HE21 GLN 63 -7.437 -8.836 2.889 409 HE22 GLN 63 HE22 GLN 63 -6.808 -10.262 3.693 410 H ALA 64 H ALA 64 -7.894 -5.042 1.450 411 HA ALA 64 HA ALA 64 -8.170 -6.346 -1.176 412 HB1 ALA 64 HB1 ALA 64 -10.585 -5.796 -0.799 413 HB2 ALA 64 HB2 ALA 64 -9.868 -6.659 0.574 414 HB3 ALA 64 HB3 ALA 64 -10.140 -4.907 0.677 415 H LEU 65 H LEU 65 -7.838 -3.035 0.073 416 HA LEU 65 HA LEU 65 -8.567 -1.709 -2.357 417 HB2 LEU 65 HB2 LEU 65 -6.896 -0.905 0.011 418 HB3 LEU 65 HB3 LEU 65 -7.157 0.141 -1.356 419 HG LEU 65 HG LEU 65 -9.400 -1.003 0.371 420 HD11 LEU 65 HD11 LEU 65 -8.190 1.787 0.272 421 HD12 LEU 65 HD12 LEU 65 -7.963 0.602 1.582 422 HD13 LEU 65 HD13 LEU 65 -9.568 1.267 1.269 423 HD21 LEU 65 HD21 LEU 65 -10.256 -0.473 -1.863 424 HD22 LEU 65 HD22 LEU 65 -9.430 1.104 -1.841 425 HD23 LEU 65 HD23 LEU 65 -10.779 0.769 -0.735 426 H LEU 66 H LEU 66 -5.462 -2.767 -1.029 427 HA LEU 66 HA LEU 66 -3.739 -2.105 -3.216 428 HB2 LEU 66 HB2 LEU 66 -3.629 -4.164 -0.973 429 HB3 LEU 66 HB3 LEU 66 -2.303 -3.946 -2.097 430 HG LEU 66 HG LEU 66 -3.343 -1.566 -0.517 431 HD11 LEU 66 HD11 LEU 66 -1.620 -2.057 1.191 432 HD12 LEU 66 HD12 LEU 66 -1.301 -3.629 0.420 433 HD13 LEU 66 HD13 LEU 66 -2.877 -3.285 1.174 434 HD21 LEU 66 HD21 LEU 66 -0.992 -0.832 -0.774 435 HD22 LEU 66 HD22 LEU 66 -1.763 -1.116 -2.347 436 HD23 LEU 66 HD23 LEU 66 -0.624 -2.306 -1.680 437 H GLU 67 H GLU 67 -5.491 -5.155 -2.452 438 HA GLU 67 HA GLU 67 -4.591 -6.682 -4.669 439 HB2 GLU 67 HB2 GLU 67 -6.975 -6.691 -2.813 440 HB3 GLU 67 HB3 GLU 67 -7.009 -7.778 -4.144 441 HG2 GLU 67 HG2 GLU 67 -4.584 -8.482 -3.368 442 HG3 GLU 67 HG3 GLU 67 -4.971 -7.669 -1.888 443 H GLY 68 H GLY 68 -7.022 -4.166 -4.603 444 HA2 GLY 68 HA2 GLY 68 -8.190 -4.553 -7.194 445 HA3 GLY 68 HA3 GLY 68 -8.095 -3.039 -6.289 446 H THR 69 H THR 69 -4.931 -3.645 -6.432 447 HA THR 69 HA THR 69 -4.430 -2.126 -8.892 448 HB THR 69 HB THR 69 -2.054 -2.204 -8.278 449 HG1 THR 69 HG1 THR 69 -2.806 -3.722 -6.036 450 HG21 THR 69 HG21 THR 69 -3.438 -0.541 -7.310 451 HG22 THR 69 HG22 THR 69 -2.185 -1.033 -6.171 452 HG23 THR 69 HG23 THR 69 -3.854 -1.573 -5.924 453 H GLY 70 H GLY 70 -5.191 -5.301 -8.473 454 HA2 GLY 70 HA2 GLY 70 -5.332 -6.869 -10.201 455 HA3 GLY 70 HA3 GLY 70 -4.063 -6.060 -11.102 456 H ARG 71 H ARG 71 -3.495 -6.780 -7.701 457 HA ARG 71 HA ARG 71 -1.415 -8.772 -8.459 458 HB2 ARG 71 HB2 ARG 71 -1.175 -6.255 -6.756 459 HB3 ARG 71 HB3 ARG 71 0.134 -7.398 -7.071 460 HG2 ARG 71 HG2 ARG 71 0.176 -6.842 -9.429 461 HG3 ARG 71 HG3 ARG 71 -1.269 -5.831 -9.280 462 HD2 ARG 71 HD2 ARG 71 -0.071 -4.381 -7.649 463 HD3 ARG 71 HD3 ARG 71 1.391 -5.279 -7.974 464 HE ARG 71 HE ARG 71 0.013 -3.327 -9.700 465 HH11 ARG 71 HH11 ARG 71 2.434 -5.878 -9.837 466 HH12 ARG 71 HH12 ARG 71 3.047 -5.317 -11.372 467 HH21 ARG 71 HH21 ARG 71 0.745 -2.694 -11.530 468 HH22 ARG 71 HH22 ARG 71 2.268 -3.326 -12.173 469 H GLN 72 H GLN 72 -0.327 -9.676 -6.693 470 HA GLN 72 HA GLN 72 -1.779 -10.585 -4.362 471 HB2 GLN 72 HB2 GLN 72 -0.159 -12.000 -5.314 472 HB3 GLN 72 HB3 GLN 72 1.084 -10.767 -5.359 473 HG2 GLN 72 HG2 GLN 72 -0.019 -11.887 -2.748 474 HG3 GLN 72 HG3 GLN 72 1.286 -12.654 -3.636 475 HE21 GLN 72 HE21 GLN 72 1.817 -11.893 -1.044 476 HE22 GLN 72 HE22 GLN 72 2.782 -10.411 -1.042 477 H ALA 73 H ALA 73 -1.617 -9.917 -2.352 478 HA ALA 73 HA ALA 73 0.151 -7.740 -1.402 479 HB1 ALA 73 HB1 ALA 73 -2.871 -7.410 -1.300 480 HB2 ALA 73 HB2 ALA 73 -1.654 -6.309 -0.634 481 HB3 ALA 73 HB3 ALA 73 -1.791 -6.519 -2.394 482 H VAL 74 H VAL 74 0.942 -8.485 0.388 483 HA VAL 74 HA VAL 74 -0.779 -9.802 2.463 484 HB VAL 74 HB VAL 74 1.963 -10.631 1.469 485 HG11 VAL 74 HG11 VAL 74 2.184 -10.664 3.888 486 HG12 VAL 74 HG12 VAL 74 0.614 -11.496 4.057 487 HG13 VAL 74 HG13 VAL 74 2.002 -12.315 3.312 488 HG21 VAL 74 HG21 VAL 74 0.884 -12.864 1.316 489 HG22 VAL 74 HG22 VAL 74 -0.645 -12.161 1.879 490 HG23 VAL 74 HG23 VAL 74 0.044 -11.668 0.319 491 H LEU 75 H LEU 75 -0.615 -8.785 4.401 492 HA LEU 75 HA LEU 75 1.300 -6.621 4.736 493 HB2 LEU 75 HB2 LEU 75 -1.000 -6.606 5.518 494 HB3 LEU 75 HB3 LEU 75 -0.641 -7.817 6.693 495 HG LEU 75 HG LEU 75 0.704 -6.312 8.032 496 HD11 LEU 75 HD11 LEU 75 0.887 -4.618 5.510 497 HD12 LEU 75 HD12 LEU 75 2.195 -5.120 6.616 498 HD13 LEU 75 HD13 LEU 75 1.077 -3.871 7.094 499 HD21 LEU 75 HD21 LEU 75 -0.722 -4.317 8.160 500 HD22 LEU 75 HD22 LEU 75 -1.702 -5.774 7.780 501 HD23 LEU 75 HD23 LEU 75 -1.205 -4.649 6.456 502 H LYS 76 H LYS 76 3.001 -6.491 5.923 503 HA LYS 76 HA LYS 76 4.207 -8.986 7.059 504 HB2 LYS 76 HB2 LYS 76 5.560 -6.389 6.255 505 HB3 LYS 76 HB3 LYS 76 6.362 -7.811 6.882 506 HG2 LYS 76 HG2 LYS 76 4.820 -7.652 4.253 507 HG3 LYS 76 HG3 LYS 76 6.570 -7.632 4.437 508 HD2 LYS 76 HD2 LYS 76 4.748 -9.982 5.110 509 HD3 LYS 76 HD3 LYS 76 5.742 -9.805 3.664 510 HE2 LYS 76 HE2 LYS 76 7.796 -9.720 5.094 511 HE3 LYS 76 HE3 LYS 76 6.780 -9.995 6.521 512 HZ1 LYS 76 HZ1 LYS 76 6.056 -12.103 5.481 513 HZ2 LYS 76 HZ2 LYS 76 7.686 -12.084 5.717 514 HZ3 LYS 76 HZ3 LYS 76 7.086 -11.845 4.222 515 H GLY 77 H GLY 77 3.599 -5.601 7.892 516 HA2 GLY 77 HA2 GLY 77 2.449 -6.047 10.348 517 HA3 GLY 77 HA3 GLY 77 4.177 -5.861 10.708 518 H MET 78 H MET 78 3.305 -3.984 11.908 519 HA MET 78 HA MET 78 2.923 -1.569 10.280 520 HB2 MET 78 HB2 MET 78 2.742 -2.094 13.268 521 HB3 MET 78 HB3 MET 78 2.666 -0.500 12.519 522 HG2 MET 78 HG2 MET 78 0.398 -1.070 12.681 523 HG3 MET 78 HG3 MET 78 0.811 -1.443 11.021 524 HE1 MET 78 HE1 MET 78 -1.844 -2.424 12.194 525 HE2 MET 78 HE2 MET 78 -1.259 -2.860 10.569 526 HE3 MET 78 HE3 MET 78 -1.879 -4.122 11.661 527 H GLY 79 H GLY 79 4.392 0.105 10.328 528 HA2 GLY 79 HA2 GLY 79 7.200 -0.551 11.120 529 HA3 GLY 79 HA3 GLY 79 6.743 -0.688 9.435 Start of MODEL 9 1 H GLY 9 H GLY 9 -10.169 3.822 11.533 2 HA2 GLY 9 HA2 GLY 9 -9.982 3.735 14.456 3 HA3 GLY 9 HA3 GLY 9 -8.867 3.024 13.294 4 H THR 10 H THR 10 -6.871 3.806 13.759 5 HA THR 10 HA THR 10 -6.481 6.729 13.940 6 HB THR 10 HB THR 10 -6.767 5.907 16.207 7 HG1 THR 10 HG1 THR 10 -5.204 7.128 16.921 8 HG21 THR 10 HG21 THR 10 -4.985 4.638 17.317 9 HG22 THR 10 HG22 THR 10 -4.105 4.460 15.783 10 HG23 THR 10 HG23 THR 10 -5.676 3.660 16.010 11 H LEU 11 H LEU 11 -4.285 7.396 13.752 12 HA LEU 11 HA LEU 11 -3.429 6.320 11.267 13 HB2 LEU 11 HB2 LEU 11 -3.336 8.798 12.353 14 HB3 LEU 11 HB3 LEU 11 -1.700 8.238 12.712 15 HG LEU 11 HG LEU 11 -1.725 9.602 10.763 16 HD11 LEU 11 HD11 LEU 11 -0.476 8.334 9.241 17 HD12 LEU 11 HD12 LEU 11 -1.204 6.796 9.759 18 HD13 LEU 11 HD13 LEU 11 -0.104 7.687 10.844 19 HD21 LEU 11 HD21 LEU 11 -2.766 8.756 8.618 20 HD22 LEU 11 HD22 LEU 11 -3.916 9.321 9.856 21 HD23 LEU 11 HD23 LEU 11 -3.664 7.592 9.583 22 H CYS 12 H CYS 12 -2.038 4.983 10.750 23 HA CYS 12 HA CYS 12 0.266 4.052 12.377 24 HB2 CYS 12 HB2 CYS 12 -2.045 2.308 11.398 25 HB3 CYS 12 HB3 CYS 12 -0.509 1.681 12.035 26 HG CYS 12 HG CYS 12 -2.800 3.550 13.512 27 H THR 13 H THR 13 1.853 2.980 11.114 28 HA THR 13 HA THR 13 1.648 3.357 8.150 29 HB THR 13 HB THR 13 4.063 2.535 9.800 30 HG1 THR 13 HG1 THR 13 4.701 4.661 9.473 31 HG21 THR 13 HG21 THR 13 3.765 3.601 6.949 32 HG22 THR 13 HG22 THR 13 4.172 1.922 7.389 33 HG23 THR 13 HG23 THR 13 5.297 3.227 7.765 34 H LEU 14 H LEU 14 0.780 1.676 7.096 35 HA LEU 14 HA LEU 14 1.297 -1.124 8.024 36 HB2 LEU 14 HB2 LEU 14 -0.626 0.189 6.115 37 HB3 LEU 14 HB3 LEU 14 -0.272 -1.530 6.015 38 HG LEU 14 HG LEU 14 -1.294 -2.075 8.005 39 HD11 LEU 14 HD11 LEU 14 -0.274 -0.549 9.580 40 HD12 LEU 14 HD12 LEU 14 -2.020 -0.588 9.780 41 HD13 LEU 14 HD13 LEU 14 -1.263 0.802 8.957 42 HD21 LEU 14 HD21 LEU 14 -2.921 -1.246 6.317 43 HD22 LEU 14 HD22 LEU 14 -2.837 0.375 7.034 44 HD23 LEU 14 HD23 LEU 14 -3.509 -0.973 7.968 45 H GLU 15 H GLU 15 2.959 -2.184 7.303 46 HA GLU 15 HA GLU 15 4.380 -1.320 4.819 47 HB2 GLU 15 HB2 GLU 15 5.310 -2.892 7.256 48 HB3 GLU 15 HB3 GLU 15 6.249 -2.666 5.776 49 HG2 GLU 15 HG2 GLU 15 6.060 -0.177 6.095 50 HG3 GLU 15 HG3 GLU 15 5.307 -0.475 7.667 51 H PHE 16 H PHE 16 3.276 -2.359 3.187 52 HA PHE 16 HA PHE 16 2.781 -5.307 3.442 53 HB2 PHE 16 HB2 PHE 16 1.682 -3.193 1.540 54 HB3 PHE 16 HB3 PHE 16 1.465 -4.912 1.296 55 HD1 PHE 16 HD2 PHE 16 0.435 -2.069 3.389 56 HD2 PHE 16 HD1 PHE 16 -0.023 -6.266 2.561 57 HE1 PHE 16 HE2 PHE 16 -1.826 -2.021 4.419 58 HE2 PHE 16 HE1 PHE 16 -2.315 -6.222 3.588 59 HZ PHE 16 HZ PHE 16 -3.217 -4.087 4.467 60 H ALA 17 H ALA 17 3.684 -6.730 2.261 61 HA ALA 17 HA ALA 17 5.688 -6.029 0.162 62 HB1 ALA 17 HB1 ALA 17 6.183 -8.469 0.225 63 HB2 ALA 17 HB2 ALA 17 6.353 -7.719 1.816 64 HB3 ALA 17 HB3 ALA 17 4.917 -8.696 1.440 65 H VAL 18 H VAL 18 5.294 -6.370 -2.043 66 HA VAL 18 HA VAL 18 2.641 -7.515 -2.891 67 HB VAL 18 HB VAL 18 2.470 -5.499 -4.450 68 HG11 VAL 18 HG11 VAL 18 1.045 -5.688 -2.416 69 HG12 VAL 18 HG12 VAL 18 2.310 -4.877 -1.460 70 HG13 VAL 18 HG13 VAL 18 1.490 -4.011 -2.765 71 HG21 VAL 18 HG21 VAL 18 4.443 -4.299 -2.533 72 HG22 VAL 18 HG22 VAL 18 4.798 -4.772 -4.201 73 HG23 VAL 18 HG23 VAL 18 3.579 -3.507 -3.868 74 H GLN 19 H GLN 19 2.374 -8.137 -5.087 75 HA GLN 19 HA GLN 19 4.921 -8.887 -6.426 76 HB2 GLN 19 HB2 GLN 19 2.020 -9.533 -7.020 77 HB3 GLN 19 HB3 GLN 19 3.380 -10.011 -8.051 78 HG2 GLN 19 HG2 GLN 19 4.422 -11.208 -6.146 79 HG3 GLN 19 HG3 GLN 19 3.063 -10.770 -5.112 80 HE21 GLN 19 HE21 GLN 19 3.443 -13.326 -5.077 81 HE22 GLN 19 HE22 GLN 19 2.338 -14.188 -6.154 82 H MET 20 H MET 20 5.817 -6.875 -7.058 83 HA MET 20 HA MET 20 4.951 -6.323 -9.816 84 HB2 MET 20 HB2 MET 20 5.302 -3.856 -9.494 85 HB3 MET 20 HB3 MET 20 3.809 -4.508 -8.810 86 HG2 MET 20 HG2 MET 20 4.763 -4.459 -6.569 87 HG3 MET 20 HG3 MET 20 6.315 -3.889 -7.212 88 HE1 MET 20 HE1 MET 20 4.445 -1.203 -5.025 89 HE2 MET 20 HE2 MET 20 5.251 -2.804 -5.011 90 HE3 MET 20 HE3 MET 20 6.149 -1.356 -5.514 91 H THR 21 H THR 21 6.619 -5.991 -11.203 92 HA THR 21 HA THR 21 9.393 -5.817 -10.075 93 HB THR 21 HB THR 21 10.097 -7.449 -11.780 94 HG1 THR 21 HG1 THR 21 8.566 -8.608 -12.886 95 HG21 THR 21 HG21 THR 21 7.834 -8.552 -10.069 96 HG22 THR 21 HG22 THR 21 9.487 -8.228 -9.492 97 HG23 THR 21 HG23 THR 21 9.209 -9.446 -10.747 98 H CYS 22 H CYS 22 7.380 -4.115 -12.186 99 HA CYS 22 HA CYS 22 9.748 -2.831 -13.337 100 HB2 CYS 22 HB2 CYS 22 9.157 -2.990 -15.537 101 HB3 CYS 22 HB3 CYS 22 8.852 -4.588 -14.903 102 H GLN 23 H GLN 23 9.311 -0.695 -14.230 103 HA GLN 23 HA GLN 23 8.551 0.882 -12.073 104 HB2 GLN 23 HB2 GLN 23 10.250 1.366 -13.823 105 HB3 GLN 23 HB3 GLN 23 8.963 1.675 -14.983 106 HG2 GLN 23 HG2 GLN 23 9.868 3.762 -14.280 107 HG3 GLN 23 HG3 GLN 23 8.251 3.654 -13.608 108 HE21 GLN 23 HE21 GLN 23 8.092 3.100 -11.246 109 HE22 GLN 23 HE22 GLN 23 9.408 3.640 -10.205 110 H SER 24 H SER 24 6.402 0.027 -14.770 111 HA SER 24 HA SER 24 4.506 2.183 -14.293 112 HB2 SER 24 HB2 SER 24 3.872 -0.437 -15.675 113 HB3 SER 24 HB3 SER 24 3.205 1.171 -15.998 114 HG SER 24 HG SER 24 5.309 1.758 -16.806 115 H CYS 25 H CYS 25 4.851 -0.998 -12.811 116 HA CYS 25 HA CYS 25 2.119 -1.166 -11.850 117 HB2 CYS 25 HB2 CYS 25 4.752 -2.394 -10.956 118 HB3 CYS 25 HB3 CYS 25 3.163 -2.858 -10.360 119 H VAL 26 H VAL 26 5.187 0.016 -10.569 120 HA VAL 26 HA VAL 26 4.718 0.739 -7.959 121 HB VAL 26 HB VAL 26 6.273 2.558 -9.843 122 HG11 VAL 26 HG11 VAL 26 6.452 3.030 -7.441 123 HG12 VAL 26 HG12 VAL 26 6.928 1.320 -7.134 124 HG13 VAL 26 HG13 VAL 26 7.983 2.402 -8.059 125 HG21 VAL 26 HG21 VAL 26 8.145 0.965 -9.715 126 HG22 VAL 26 HG22 VAL 26 7.008 -0.239 -9.024 127 HG23 VAL 26 HG23 VAL 26 6.788 0.384 -10.675 128 H ASP 27 H ASP 27 4.288 2.944 -10.763 129 HA ASP 27 HA ASP 27 2.980 5.073 -9.420 130 HB2 ASP 27 HB2 ASP 27 3.917 4.886 -11.826 131 HB3 ASP 27 HB3 ASP 27 2.406 4.120 -12.241 132 H ALA 28 H ALA 28 1.760 2.051 -10.776 133 HA ALA 28 HA ALA 28 -1.044 2.870 -10.668 134 HB1 ALA 28 HB1 ALA 28 -0.108 1.198 -12.259 135 HB2 ALA 28 HB2 ALA 28 0.063 0.050 -10.919 136 HB3 ALA 28 HB3 ALA 28 -1.546 0.640 -11.381 137 H VAL 29 H VAL 29 1.078 0.962 -8.415 138 HA VAL 29 HA VAL 29 -1.022 0.543 -6.571 139 HB VAL 29 HB VAL 29 1.918 0.717 -5.833 140 HG11 VAL 29 HG11 VAL 29 -0.414 -0.960 -4.851 141 HG12 VAL 29 HG12 VAL 29 1.208 -0.890 -4.119 142 HG13 VAL 29 HG13 VAL 29 0.147 0.526 -4.030 143 HG21 VAL 29 HG21 VAL 29 0.357 -1.538 -7.153 144 HG22 VAL 29 HG22 VAL 29 1.960 -0.910 -7.574 145 HG23 VAL 29 HG23 VAL 29 1.774 -1.862 -6.124 146 H ARG 30 H ARG 30 1.364 3.185 -6.872 147 HA ARG 30 HA ARG 30 0.640 4.668 -4.518 148 HB2 ARG 30 HB2 ARG 30 1.598 5.592 -7.299 149 HB3 ARG 30 HB3 ARG 30 1.557 6.625 -5.881 150 HG2 ARG 30 HG2 ARG 30 3.291 5.467 -4.781 151 HG3 ARG 30 HG3 ARG 30 3.134 4.045 -5.777 152 HD2 ARG 30 HD2 ARG 30 4.802 4.758 -7.098 153 HD3 ARG 30 HD3 ARG 30 3.791 6.085 -7.638 154 HE ARG 30 HE ARG 30 5.923 6.170 -5.594 155 HH11 ARG 30 HH11 ARG 30 3.493 8.187 -7.223 156 HH12 ARG 30 HH12 ARG 30 4.131 9.617 -6.456 157 HH21 ARG 30 HH21 ARG 30 6.631 7.978 -4.770 158 HH22 ARG 30 HH22 ARG 30 5.983 9.529 -5.282 159 H LYS 31 H LYS 31 -0.887 4.555 -7.726 160 HA LYS 31 HA LYS 31 -2.706 6.718 -7.081 161 HB2 LYS 31 HB2 LYS 31 -2.350 4.942 -9.486 162 HB3 LYS 31 HB3 LYS 31 -3.663 6.151 -9.347 163 HG2 LYS 31 HG2 LYS 31 -2.092 7.904 -8.783 164 HG3 LYS 31 HG3 LYS 31 -0.723 6.777 -8.799 165 HD2 LYS 31 HD2 LYS 31 -0.973 6.466 -11.206 166 HD3 LYS 31 HD3 LYS 31 -2.394 7.571 -11.209 167 HE2 LYS 31 HE2 LYS 31 -1.103 9.365 -10.246 168 HE3 LYS 31 HE3 LYS 31 0.269 8.300 -9.955 169 HZ1 LYS 31 HZ1 LYS 31 0.616 8.036 -12.315 170 HZ2 LYS 31 HZ2 LYS 31 0.563 9.663 -12.032 171 HZ3 LYS 31 HZ3 LYS 31 -0.733 8.891 -12.695 172 H SER 32 H SER 32 -3.043 3.278 -6.576 173 HA SER 32 HA SER 32 -5.920 3.424 -6.054 174 HB2 SER 32 HB2 SER 32 -4.958 1.278 -6.238 175 HB3 SER 32 HB3 SER 32 -3.719 1.619 -5.004 176 HG SER 32 HG SER 32 -5.587 0.358 -4.281 177 H LEU 33 H LEU 33 -2.994 4.260 -4.210 178 HA LEU 33 HA LEU 33 -4.429 4.802 -1.731 179 HB2 LEU 33 HB2 LEU 33 -1.604 5.644 -2.395 180 HB3 LEU 33 HB3 LEU 33 -2.309 5.261 -0.822 181 HG LEU 33 HG LEU 33 -1.783 3.196 -2.980 182 HD11 LEU 33 HD11 LEU 33 0.203 2.560 -1.732 183 HD12 LEU 33 HD12 LEU 33 -0.061 3.901 -0.592 184 HD13 LEU 33 HD13 LEU 33 0.328 4.233 -2.289 185 HD21 LEU 33 HD21 LEU 33 -2.297 2.882 -0.018 186 HD22 LEU 33 HD22 LEU 33 -1.945 1.592 -1.193 187 HD23 LEU 33 HD23 LEU 33 -3.452 2.515 -1.331 188 H GLN 34 H GLN 34 -3.079 6.795 -4.356 189 HA GLN 34 HA GLN 34 -3.150 9.288 -3.009 190 HB2 GLN 34 HB2 GLN 34 -2.946 8.305 -5.808 191 HB3 GLN 34 HB3 GLN 34 -3.313 9.981 -5.702 192 HG2 GLN 34 HG2 GLN 34 -1.288 10.442 -4.435 193 HG3 GLN 34 HG3 GLN 34 -0.975 8.720 -4.235 194 HE21 GLN 34 HE21 GLN 34 1.171 9.072 -5.350 195 HE22 GLN 34 HE22 GLN 34 1.136 9.040 -7.116 196 H GLY 35 H GLY 35 -4.554 10.657 -2.567 197 HA2 GLY 35 HA2 GLY 35 -6.520 11.845 -2.353 198 HA3 GLY 35 HA3 GLY 35 -7.210 10.951 -3.701 199 H VAL 36 H VAL 36 -6.168 8.840 -1.053 200 HA VAL 36 HA VAL 36 -8.972 8.082 -0.722 201 HB VAL 36 HB VAL 36 -6.390 6.930 0.365 202 HG11 VAL 36 HG11 VAL 36 -8.115 6.450 2.046 203 HG12 VAL 36 HG12 VAL 36 -9.247 5.930 0.773 204 HG13 VAL 36 HG13 VAL 36 -7.777 4.994 1.112 205 HG21 VAL 36 HG21 VAL 36 -6.916 6.582 -2.069 206 HG22 VAL 36 HG22 VAL 36 -6.947 5.074 -1.146 207 HG23 VAL 36 HG23 VAL 36 -8.469 5.866 -1.606 208 H ALA 37 H ALA 37 -10.276 8.978 0.645 209 HA ALA 37 HA ALA 37 -9.624 10.683 2.814 210 HB1 ALA 37 HB1 ALA 37 -12.104 8.963 2.375 211 HB2 ALA 37 HB2 ALA 37 -11.974 10.334 3.500 212 HB3 ALA 37 HB3 ALA 37 -11.833 10.607 1.751 213 H GLY 38 H GLY 38 -8.488 10.223 4.568 214 HA2 GLY 38 HA2 GLY 38 -8.212 9.129 6.708 215 HA3 GLY 38 HA3 GLY 38 -8.750 7.607 6.004 216 H VAL 39 H VAL 39 -6.650 9.039 3.719 217 HA VAL 39 HA VAL 39 -4.243 7.746 4.879 218 HB VAL 39 HB VAL 39 -5.154 7.504 2.423 219 HG11 VAL 39 HG11 VAL 39 -5.056 9.936 1.840 220 HG12 VAL 39 HG12 VAL 39 -3.289 9.845 1.957 221 HG13 VAL 39 HG13 VAL 39 -4.153 8.869 0.758 222 HG21 VAL 39 HG21 VAL 39 -3.145 6.399 3.340 223 HG22 VAL 39 HG22 VAL 39 -2.869 6.961 1.686 224 HG23 VAL 39 HG23 VAL 39 -2.188 7.869 3.052 225 H GLN 40 H GLN 40 -2.508 8.881 5.616 226 HA GLN 40 HA GLN 40 -2.503 11.873 5.426 227 HB2 GLN 40 HB2 GLN 40 -1.093 9.852 7.195 228 HB3 GLN 40 HB3 GLN 40 -0.341 11.399 6.857 229 HG2 GLN 40 HG2 GLN 40 -2.475 12.541 7.627 230 HG3 GLN 40 HG3 GLN 40 -3.011 10.962 8.206 231 HE21 GLN 40 HE21 GLN 40 -2.817 12.864 10.175 232 HE22 GLN 40 HE22 GLN 40 -1.312 12.672 11.071 233 H ASP 41 H ASP 41 -0.439 9.005 4.803 234 HA ASP 41 HA ASP 41 1.039 10.399 2.663 235 HB2 ASP 41 HB2 ASP 41 2.264 9.480 5.293 236 HB3 ASP 41 HB3 ASP 41 3.207 9.699 3.857 237 H VAL 42 H VAL 42 2.553 8.979 1.667 238 HA VAL 42 HA VAL 42 2.232 6.062 1.922 239 HB VAL 42 HB VAL 42 1.707 5.749 -0.400 240 HG11 VAL 42 HG11 VAL 42 -0.221 5.913 1.113 241 HG12 VAL 42 HG12 VAL 42 -0.327 7.665 0.813 242 HG13 VAL 42 HG13 VAL 42 -0.609 6.549 -0.502 243 HG21 VAL 42 HG21 VAL 42 2.663 7.753 -1.475 244 HG22 VAL 42 HG22 VAL 42 0.991 7.495 -1.948 245 HG23 VAL 42 HG23 VAL 42 1.380 8.751 -0.753 246 H GLU 43 H GLU 43 3.991 4.894 0.889 247 HA GLU 43 HA GLU 43 5.729 6.306 -0.942 248 HB2 GLU 43 HB2 GLU 43 6.555 6.825 1.427 249 HB3 GLU 43 HB3 GLU 43 6.919 5.124 1.617 250 HG2 GLU 43 HG2 GLU 43 8.666 5.199 0.194 251 HG3 GLU 43 HG3 GLU 43 7.969 6.404 -0.887 252 H VAL 44 H VAL 44 6.792 4.731 -2.396 253 HA VAL 44 HA VAL 44 6.387 1.855 -1.666 254 HB VAL 44 HB VAL 44 4.798 2.399 -3.296 255 HG11 VAL 44 HG11 VAL 44 5.694 4.333 -4.412 256 HG12 VAL 44 HG12 VAL 44 7.007 3.350 -5.114 257 HG13 VAL 44 HG13 VAL 44 5.309 3.030 -5.551 258 HG21 VAL 44 HG21 VAL 44 7.110 0.907 -4.572 259 HG22 VAL 44 HG22 VAL 44 5.954 0.220 -3.402 260 HG23 VAL 44 HG23 VAL 44 5.390 0.797 -4.990 261 H HIS 45 H HIS 45 8.042 0.627 -1.634 262 HA HIS 45 HA HIS 45 10.608 1.497 -2.887 263 HB2 HIS 45 HB2 HIS 45 10.140 -0.018 -0.311 264 HB3 HIS 45 HB3 HIS 45 11.655 -0.099 -1.189 265 HD1 HIS 45 HD1 HIS 45 13.350 1.868 -0.896 266 HD2 HIS 45 HD2 HIS 45 9.499 2.548 0.694 267 HE1 HIS 45 HE1 HIS 45 13.497 4.040 0.419 268 H LEU 46 H LEU 46 9.938 0.720 -4.792 269 HA LEU 46 HA LEU 46 9.184 -1.920 -5.544 270 HB2 LEU 46 HB2 LEU 46 9.134 0.168 -6.860 271 HB3 LEU 46 HB3 LEU 46 10.862 0.317 -6.798 272 HG LEU 46 HG LEU 46 9.913 -0.376 -8.974 273 HD11 LEU 46 HD11 LEU 46 11.816 -2.481 -7.939 274 HD12 LEU 46 HD12 LEU 46 12.285 -0.791 -8.185 275 HD13 LEU 46 HD13 LEU 46 11.700 -1.761 -9.556 276 HD21 LEU 46 HD21 LEU 46 9.447 -3.098 -7.699 277 HD22 LEU 46 HD22 LEU 46 9.146 -2.615 -9.380 278 HD23 LEU 46 HD23 LEU 46 8.168 -1.918 -8.069 279 H GLU 47 H GLU 47 12.263 -0.458 -4.844 280 HA GLU 47 HA GLU 47 14.082 -2.566 -5.389 281 HB2 GLU 47 HB2 GLU 47 15.345 -1.282 -3.380 282 HB3 GLU 47 HB3 GLU 47 15.322 -0.736 -5.049 283 HG2 GLU 47 HG2 GLU 47 13.834 0.996 -4.643 284 HG3 GLU 47 HG3 GLU 47 13.118 0.208 -3.256 285 H ASP 48 H ASP 48 11.809 -2.425 -2.729 286 HA ASP 48 HA ASP 48 12.990 -4.991 -1.740 287 HB2 ASP 48 HB2 ASP 48 12.811 -2.865 -0.105 288 HB3 ASP 48 HB3 ASP 48 11.148 -3.333 -0.021 289 H GLN 49 H GLN 49 10.665 -3.884 -3.698 290 HA GLN 49 HA GLN 49 8.494 -4.151 -4.163 291 HB2 GLN 49 HB2 GLN 49 8.710 -6.953 -3.026 292 HB3 GLN 49 HB3 GLN 49 7.562 -6.336 -4.195 293 HG2 GLN 49 HG2 GLN 49 9.311 -5.897 -5.833 294 HG3 GLN 49 HG3 GLN 49 10.379 -6.737 -4.715 295 HE21 GLN 49 HE21 GLN 49 8.127 -7.160 -7.257 296 HE22 GLN 49 HE22 GLN 49 7.838 -8.890 -7.092 297 H MET 50 H MET 50 9.099 -2.967 -1.581 298 HA MET 50 HA MET 50 6.799 -3.810 0.101 299 HB2 MET 50 HB2 MET 50 9.100 -3.652 1.094 300 HB3 MET 50 HB3 MET 50 9.117 -1.937 0.714 301 HG2 MET 50 HG2 MET 50 8.561 -2.188 3.028 302 HG3 MET 50 HG3 MET 50 7.168 -1.577 2.195 303 HE1 MET 50 HE1 MET 50 7.167 -6.077 3.242 304 HE2 MET 50 HE2 MET 50 7.742 -5.450 1.689 305 HE3 MET 50 HE3 MET 50 8.713 -5.173 3.153 306 H VAL 51 H VAL 51 5.241 -2.315 0.842 307 HA VAL 51 HA VAL 51 5.226 0.423 -0.318 308 HB VAL 51 HB VAL 51 2.618 -1.078 0.037 309 HG11 VAL 51 HG11 VAL 51 3.637 1.096 -1.837 310 HG12 VAL 51 HG12 VAL 51 1.950 0.535 -1.724 311 HG13 VAL 51 HG13 VAL 51 2.693 1.390 -0.358 312 HG21 VAL 51 HG21 VAL 51 3.766 -2.577 -1.411 313 HG22 VAL 51 HG22 VAL 51 2.612 -1.647 -2.363 314 HG23 VAL 51 HG23 VAL 51 4.351 -1.251 -2.448 315 H LEU 52 H LEU 52 4.779 1.982 1.058 316 HA LEU 52 HA LEU 52 3.953 1.394 3.865 317 HB2 LEU 52 HB2 LEU 52 5.468 3.744 2.624 318 HB3 LEU 52 HB3 LEU 52 4.885 3.710 4.260 319 HG LEU 52 HG LEU 52 6.384 1.525 4.482 320 HD11 LEU 52 HD11 LEU 52 8.454 1.660 3.128 321 HD12 LEU 52 HD12 LEU 52 7.699 2.918 2.121 322 HD13 LEU 52 HD13 LEU 52 7.052 1.263 2.138 323 HD21 LEU 52 HD21 LEU 52 8.297 2.944 5.127 324 HD22 LEU 52 HD22 LEU 52 6.770 3.649 5.674 325 HD23 LEU 52 HD23 LEU 52 7.581 4.313 4.242 326 H VAL 53 H VAL 53 2.082 2.050 4.501 327 HA VAL 53 HA VAL 53 0.623 4.238 3.085 328 HB VAL 53 HB VAL 53 -0.612 1.629 4.035 329 HG11 VAL 53 HG11 VAL 53 -1.724 3.958 2.380 330 HG12 VAL 53 HG12 VAL 53 -2.615 2.488 2.828 331 HG13 VAL 53 HG13 VAL 53 -2.118 3.632 4.078 332 HG21 VAL 53 HG21 VAL 53 0.068 2.504 1.212 333 HG22 VAL 53 HG22 VAL 53 0.667 1.073 2.072 334 HG23 VAL 53 HG23 VAL 53 -1.034 1.165 1.614 335 H HIS 54 H HIS 54 0.693 5.811 4.559 336 HA HIS 54 HA HIS 54 0.456 5.278 7.449 337 HB2 HIS 54 HB2 HIS 54 0.804 7.889 5.965 338 HB3 HIS 54 HB3 HIS 54 0.971 7.655 7.672 339 HD1 HIS 54 HD1 HIS 54 3.355 7.262 8.517 340 HD2 HIS 54 HD2 HIS 54 2.813 6.437 4.442 341 HE1 HIS 54 HE1 HIS 54 5.688 6.834 7.549 342 H THR 55 H THR 55 -1.706 4.782 7.971 343 HA THR 55 HA THR 55 -3.873 6.655 7.121 344 HB THR 55 HB THR 55 -3.585 5.071 5.270 345 HG1 THR 55 HG1 THR 55 -5.695 5.780 5.933 346 HG21 THR 55 HG21 THR 55 -2.718 3.074 6.504 347 HG22 THR 55 HG22 THR 55 -4.109 2.703 5.474 348 HG23 THR 55 HG23 THR 55 -4.325 2.847 7.229 349 H THR 56 H THR 56 -5.982 6.208 8.083 350 HA THR 56 HA THR 56 -5.909 4.954 10.763 351 HB THR 56 HB THR 56 -8.085 6.046 11.090 352 HG1 THR 56 HG1 THR 56 -8.794 7.473 9.410 353 HG21 THR 56 HG21 THR 56 -5.945 7.352 11.444 354 HG22 THR 56 HG22 THR 56 -7.383 8.331 11.117 355 HG23 THR 56 HG23 THR 56 -6.185 8.062 9.836 356 H LEU 57 H LEU 57 -6.698 3.920 7.669 357 HA LEU 57 HA LEU 57 -9.097 2.407 8.083 358 HB2 LEU 57 HB2 LEU 57 -6.829 2.189 6.057 359 HB3 LEU 57 HB3 LEU 57 -8.354 1.337 5.890 360 HG LEU 57 HG LEU 57 -8.021 4.379 5.920 361 HD11 LEU 57 HD11 LEU 57 -8.609 4.203 3.540 362 HD12 LEU 57 HD12 LEU 57 -8.660 2.432 3.668 363 HD13 LEU 57 HD13 LEU 57 -7.124 3.306 3.899 364 HD21 LEU 57 HD21 LEU 57 -10.391 4.395 5.156 365 HD22 LEU 57 HD22 LEU 57 -10.207 3.825 6.814 366 HD23 LEU 57 HD23 LEU 57 -10.494 2.656 5.504 367 HA PRO 58 HA PRO 58 -7.507 -1.363 9.846 368 HB2 PRO 58 HB2 PRO 58 -9.401 -3.021 8.272 369 HB3 PRO 58 HB3 PRO 58 -9.392 -2.752 10.031 370 HG2 PRO 58 HG2 PRO 58 -11.332 -1.684 8.422 371 HG3 PRO 58 HG3 PRO 58 -10.677 -0.756 9.814 372 HD2 PRO 58 HD2 PRO 58 -9.731 -0.667 6.937 373 HD3 PRO 58 HD3 PRO 58 -10.344 0.677 7.828 374 H SER 59 H SER 59 -5.806 -2.879 9.199 375 HA SER 59 HA SER 59 -4.812 -2.595 6.535 376 HB2 SER 59 HB2 SER 59 -3.812 -5.029 7.773 377 HB3 SER 59 HB3 SER 59 -2.971 -3.568 7.252 378 HG SER 59 HG SER 59 -3.846 -4.382 9.724 379 H GLN 60 H GLN 60 -6.940 -5.044 7.913 380 HA GLN 60 HA GLN 60 -7.281 -6.850 5.815 381 HB2 GLN 60 HB2 GLN 60 -8.148 -7.036 8.067 382 HB3 GLN 60 HB3 GLN 60 -9.143 -5.584 7.883 383 HG2 GLN 60 HG2 GLN 60 -10.634 -6.700 6.355 384 HG3 GLN 60 HG3 GLN 60 -9.533 -8.075 6.218 385 HE21 GLN 60 HE21 GLN 60 -11.802 -6.548 8.519 386 HE22 GLN 60 HE22 GLN 60 -12.035 -8.151 9.233 387 H GLU 61 H GLU 61 -8.430 -3.453 5.984 388 HA GLU 61 HA GLU 61 -10.061 -3.708 3.544 389 HB2 GLU 61 HB2 GLU 61 -10.532 -2.244 5.602 390 HB3 GLU 61 HB3 GLU 61 -9.208 -1.201 5.016 391 HG2 GLU 61 HG2 GLU 61 -10.365 -0.783 2.958 392 HG3 GLU 61 HG3 GLU 61 -11.649 -1.926 3.428 393 H VAL 62 H VAL 62 -6.911 -2.223 4.540 394 HA VAL 62 HA VAL 62 -6.389 -1.017 2.047 395 HB VAL 62 HB VAL 62 -4.251 -1.914 4.017 396 HG11 VAL 62 HG11 VAL 62 -3.114 0.117 3.254 397 HG12 VAL 62 HG12 VAL 62 -3.518 -0.889 1.862 398 HG13 VAL 62 HG13 VAL 62 -4.511 0.534 2.225 399 HG21 VAL 62 HG21 VAL 62 -4.531 0.366 5.075 400 HG22 VAL 62 HG22 VAL 62 -6.100 0.494 4.236 401 HG23 VAL 62 HG23 VAL 62 -5.793 -0.778 5.438 402 H GLN 63 H GLN 63 -5.630 -4.306 3.241 403 HA GLN 63 HA GLN 63 -3.975 -5.185 1.075 404 HB2 GLN 63 HB2 GLN 63 -4.417 -6.573 3.083 405 HB3 GLN 63 HB3 GLN 63 -6.098 -6.685 2.650 406 HG2 GLN 63 HG2 GLN 63 -5.137 -7.710 0.354 407 HG3 GLN 63 HG3 GLN 63 -3.691 -7.993 1.346 408 HE21 GLN 63 HE21 GLN 63 -6.350 -9.553 0.123 409 HE22 GLN 63 HE22 GLN 63 -6.655 -10.638 1.498 410 H ALA 64 H ALA 64 -7.612 -4.938 1.221 411 HA ALA 64 HA ALA 64 -7.817 -6.177 -1.404 412 HB1 ALA 64 HB1 ALA 64 -10.222 -5.587 -1.156 413 HB2 ALA 64 HB2 ALA 64 -9.600 -6.381 0.300 414 HB3 ALA 64 HB3 ALA 64 -9.849 -4.622 0.289 415 H LEU 65 H LEU 65 -7.622 -2.860 -0.097 416 HA LEU 65 HA LEU 65 -8.260 -1.481 -2.494 417 HB2 LEU 65 HB2 LEU 65 -6.665 -0.729 -0.058 418 HB3 LEU 65 HB3 LEU 65 -6.932 0.371 -1.379 419 HG LEU 65 HG LEU 65 -9.179 -0.959 0.213 420 HD11 LEU 65 HD11 LEU 65 -7.867 0.602 1.596 421 HD12 LEU 65 HD12 LEU 65 -9.478 1.240 1.255 422 HD13 LEU 65 HD13 LEU 65 -8.071 1.870 0.364 423 HD21 LEU 65 HD21 LEU 65 -10.628 0.753 -0.794 424 HD22 LEU 65 HD22 LEU 65 -9.928 -0.260 -2.052 425 HD23 LEU 65 HD23 LEU 65 -9.271 1.363 -1.759 426 H LEU 66 H LEU 66 -5.184 -2.536 -1.160 427 HA LEU 66 HA LEU 66 -3.431 -1.843 -3.333 428 HB2 LEU 66 HB2 LEU 66 -3.320 -3.910 -1.099 429 HB3 LEU 66 HB3 LEU 66 -1.986 -3.651 -2.205 430 HG LEU 66 HG LEU 66 -3.102 -1.317 -0.607 431 HD11 LEU 66 HD11 LEU 66 -1.383 -1.780 1.107 432 HD12 LEU 66 HD12 LEU 66 -1.017 -3.335 0.321 433 HD13 LEU 66 HD13 LEU 66 -2.608 -3.041 1.062 434 HD21 LEU 66 HD21 LEU 66 -0.785 -0.496 -0.846 435 HD22 LEU 66 HD22 LEU 66 -1.525 -0.805 -2.425 436 HD23 LEU 66 HD23 LEU 66 -0.349 -1.957 -1.750 437 H GLU 67 H GLU 67 -5.268 -4.874 -2.633 438 HA GLU 67 HA GLU 67 -4.277 -6.403 -4.802 439 HB2 GLU 67 HB2 GLU 67 -6.751 -6.420 -3.093 440 HB3 GLU 67 HB3 GLU 67 -6.757 -7.426 -4.476 441 HG2 GLU 67 HG2 GLU 67 -4.366 -8.224 -3.531 442 HG3 GLU 67 HG3 GLU 67 -5.014 -7.635 -2.021 443 H GLY 68 H GLY 68 -6.892 -3.988 -4.820 444 HA2 GLY 68 HA2 GLY 68 -7.810 -4.372 -7.502 445 HA3 GLY 68 HA3 GLY 68 -7.908 -2.879 -6.572 446 H THR 69 H THR 69 -4.697 -3.364 -6.544 447 HA THR 69 HA THR 69 -4.154 -1.706 -8.918 448 HB THR 69 HB THR 69 -1.936 -1.381 -8.064 449 HG1 THR 69 HG1 THR 69 -2.465 -3.242 -6.045 450 HG21 THR 69 HG21 THR 69 -3.359 0.023 -6.917 451 HG22 THR 69 HG22 THR 69 -2.415 -0.741 -5.628 452 HG23 THR 69 HG23 THR 69 -4.067 -1.248 -5.899 453 H GLY 70 H GLY 70 -4.596 -4.937 -8.535 454 HA2 GLY 70 HA2 GLY 70 -4.727 -6.297 -10.455 455 HA3 GLY 70 HA3 GLY 70 -3.422 -5.390 -11.220 456 H ARG 71 H ARG 71 -3.196 -6.658 -7.930 457 HA ARG 71 HA ARG 71 -1.351 -8.830 -8.636 458 HB2 ARG 71 HB2 ARG 71 0.553 -7.757 -7.454 459 HB3 ARG 71 HB3 ARG 71 0.043 -6.932 -8.909 460 HG2 ARG 71 HG2 ARG 71 -1.366 -5.411 -7.217 461 HG3 ARG 71 HG3 ARG 71 -0.298 -6.078 -6.013 462 HD2 ARG 71 HD2 ARG 71 0.658 -4.014 -6.731 463 HD3 ARG 71 HD3 ARG 71 1.657 -5.247 -7.493 464 HE ARG 71 HE ARG 71 -0.445 -3.543 -8.775 465 HH11 ARG 71 HH11 ARG 71 2.093 -5.944 -9.429 466 HH12 ARG 71 HH12 ARG 71 1.941 -5.662 -11.148 467 HH21 ARG 71 HH21 ARG 71 -0.677 -3.484 -10.893 468 HH22 ARG 71 HH22 ARG 71 0.437 -4.299 -11.961 469 H GLN 72 H GLN 72 -0.309 -9.717 -6.670 470 HA GLN 72 HA GLN 72 -2.135 -9.939 -4.394 471 HB2 GLN 72 HB2 GLN 72 -0.906 -11.857 -5.455 472 HB3 GLN 72 HB3 GLN 72 0.590 -11.212 -4.792 473 HG2 GLN 72 HG2 GLN 72 -0.367 -13.048 -3.436 474 HG3 GLN 72 HG3 GLN 72 -0.230 -11.551 -2.523 475 HE21 GLN 72 HE21 GLN 72 -1.977 -11.269 -1.176 476 HE22 GLN 72 HE22 GLN 72 -3.592 -11.820 -1.545 477 H ALA 73 H ALA 73 -1.603 -9.540 -2.355 478 HA ALA 73 HA ALA 73 0.661 -7.760 -1.561 479 HB1 ALA 73 HB1 ALA 73 -0.888 -6.349 -0.283 480 HB2 ALA 73 HB2 ALA 73 -1.301 -6.304 -2.009 481 HB3 ALA 73 HB3 ALA 73 -2.278 -7.275 -0.890 482 H VAL 74 H VAL 74 1.436 -8.220 0.441 483 HA VAL 74 HA VAL 74 0.018 -10.005 2.345 484 HB VAL 74 HB VAL 74 2.836 -10.409 1.297 485 HG11 VAL 74 HG11 VAL 74 2.977 -12.307 2.917 486 HG12 VAL 74 HG12 VAL 74 2.896 -10.751 3.729 487 HG13 VAL 74 HG13 VAL 74 1.445 -11.780 3.647 488 HG21 VAL 74 HG21 VAL 74 0.383 -12.196 1.382 489 HG22 VAL 74 HG22 VAL 74 1.105 -11.496 -0.084 490 HG23 VAL 74 HG23 VAL 74 1.991 -12.723 0.823 491 H LEU 75 H LEU 75 -0.033 -8.921 4.183 492 HA LEU 75 HA LEU 75 1.662 -6.624 4.664 493 HB2 LEU 75 HB2 LEU 75 -0.677 -6.828 5.311 494 HB3 LEU 75 HB3 LEU 75 -0.286 -8.001 6.518 495 HG LEU 75 HG LEU 75 0.782 -6.391 7.943 496 HD11 LEU 75 HD11 LEU 75 1.053 -3.917 7.021 497 HD12 LEU 75 HD12 LEU 75 1.102 -4.691 5.436 498 HD13 LEU 75 HD13 LEU 75 2.305 -5.070 6.697 499 HD21 LEU 75 HD21 LEU 75 -0.753 -4.523 7.949 500 HD22 LEU 75 HD22 LEU 75 -1.647 -6.006 7.454 501 HD23 LEU 75 HD23 LEU 75 -1.069 -4.844 6.203 502 H LYS 76 H LYS 76 3.308 -6.309 5.855 503 HA LYS 76 HA LYS 76 4.643 -8.656 7.160 504 HB2 LYS 76 HB2 LYS 76 5.931 -6.172 5.981 505 HB3 LYS 76 HB3 LYS 76 6.759 -7.448 6.830 506 HG2 LYS 76 HG2 LYS 76 5.391 -7.590 4.141 507 HG3 LYS 76 HG3 LYS 76 7.095 -7.848 4.519 508 HD2 LYS 76 HD2 LYS 76 4.780 -9.720 5.093 509 HD3 LYS 76 HD3 LYS 76 6.088 -9.950 3.939 510 HE2 LYS 76 HE2 LYS 76 7.731 -10.151 5.746 511 HE3 LYS 76 HE3 LYS 76 6.491 -9.786 6.958 512 HZ1 LYS 76 HZ1 LYS 76 6.565 -12.164 5.197 513 HZ2 LYS 76 HZ2 LYS 76 5.302 -11.811 6.191 514 HZ3 LYS 76 HZ3 LYS 76 6.757 -12.179 6.827 515 H GLY 77 H GLY 77 3.562 -5.412 7.841 516 HA2 GLY 77 HA2 GLY 77 2.523 -6.014 10.173 517 HA3 GLY 77 HA3 GLY 77 4.185 -5.682 10.701 518 H MET 78 H MET 78 2.973 -4.119 11.959 519 HA MET 78 HA MET 78 2.231 -1.598 10.615 520 HB2 MET 78 HB2 MET 78 1.814 -2.584 13.470 521 HB3 MET 78 HB3 MET 78 1.333 -1.022 12.821 522 HG2 MET 78 HG2 MET 78 -0.650 -2.192 12.578 523 HG3 MET 78 HG3 MET 78 0.079 -2.423 10.997 524 HE1 MET 78 HE1 MET 78 -1.127 -4.340 10.193 525 HE2 MET 78 HE2 MET 78 -1.536 -5.821 11.092 526 HE3 MET 78 HE3 MET 78 -2.240 -4.258 11.580 527 H GLY 79 H GLY 79 3.983 -0.332 10.280 528 HA2 GLY 79 HA2 GLY 79 5.941 0.841 10.629 529 HA3 GLY 79 HA3 GLY 79 5.824 0.499 12.356 Start of MODEL 10 1 H GLY 9 H GLY 9 -10.668 5.804 14.730 2 HA2 GLY 9 HA2 GLY 9 -8.745 3.797 13.865 3 HA3 GLY 9 HA3 GLY 9 -9.500 4.822 12.641 4 H THR 10 H THR 10 -6.823 4.566 14.023 5 HA THR 10 HA THR 10 -6.228 7.457 14.219 6 HB THR 10 HB THR 10 -6.292 6.606 16.474 7 HG1 THR 10 HG1 THR 10 -4.219 7.214 17.102 8 HG21 THR 10 HG21 THR 10 -4.642 4.984 17.315 9 HG22 THR 10 HG22 THR 10 -4.033 4.723 15.667 10 HG23 THR 10 HG23 THR 10 -5.686 4.230 16.101 11 H LEU 11 H LEU 11 -4.228 8.144 13.606 12 HA LEU 11 HA LEU 11 -3.416 6.840 11.174 13 HB2 LEU 11 HB2 LEU 11 -3.563 9.435 11.886 14 HB3 LEU 11 HB3 LEU 11 -1.876 9.101 12.280 15 HG LEU 11 HG LEU 11 -2.145 10.235 10.152 16 HD11 LEU 11 HD11 LEU 11 -0.192 8.748 10.521 17 HD12 LEU 11 HD12 LEU 11 -0.648 9.006 8.835 18 HD13 LEU 11 HD13 LEU 11 -1.056 7.461 9.627 19 HD21 LEU 11 HD21 LEU 11 -4.212 9.379 9.291 20 HD22 LEU 11 HD22 LEU 11 -3.555 7.733 9.219 21 HD23 LEU 11 HD23 LEU 11 -2.915 8.977 8.145 22 H CYS 12 H CYS 12 -1.989 5.541 10.843 23 HA CYS 12 HA CYS 12 0.501 5.054 12.371 24 HB2 CYS 12 HB2 CYS 12 -1.820 3.082 12.135 25 HB3 CYS 12 HB3 CYS 12 -0.160 2.575 12.485 26 HG CYS 12 HG CYS 12 0.188 4.008 14.611 27 H THR 13 H THR 13 1.939 3.591 11.240 28 HA THR 13 HA THR 13 1.542 3.573 8.282 29 HB THR 13 HB THR 13 3.951 2.911 9.975 30 HG1 THR 13 HG1 THR 13 4.688 4.818 9.115 31 HG21 THR 13 HG21 THR 13 4.003 1.618 7.835 32 HG22 THR 13 HG22 THR 13 5.180 2.932 7.818 33 HG23 THR 13 HG23 THR 13 3.646 3.111 6.937 34 H LEU 14 H LEU 14 1.132 1.834 7.158 35 HA LEU 14 HA LEU 14 1.451 -0.920 8.327 36 HB2 LEU 14 HB2 LEU 14 -0.779 0.377 6.883 37 HB3 LEU 14 HB3 LEU 14 -0.319 -1.234 6.318 38 HG LEU 14 HG LEU 14 -0.517 -0.702 9.321 39 HD11 LEU 14 HD11 LEU 14 -2.601 0.060 8.399 40 HD12 LEU 14 HD12 LEU 14 -2.768 -1.456 9.314 41 HD13 LEU 14 HD13 LEU 14 -2.779 -1.489 7.510 42 HD21 LEU 14 HD21 LEU 14 0.452 -2.849 8.626 43 HD22 LEU 14 HD22 LEU 14 -0.885 -3.102 7.485 44 HD23 LEU 14 HD23 LEU 14 -1.186 -3.132 9.231 45 H GLU 15 H GLU 15 2.454 -2.376 7.220 46 HA GLU 15 HA GLU 15 4.107 -1.413 4.892 47 HB2 GLU 15 HB2 GLU 15 5.095 -2.998 7.275 48 HB3 GLU 15 HB3 GLU 15 6.001 -2.541 5.820 49 HG2 GLU 15 HG2 GLU 15 5.560 -0.134 6.407 50 HG3 GLU 15 HG3 GLU 15 4.923 -0.682 7.964 51 H PHE 16 H PHE 16 3.093 -2.463 3.306 52 HA PHE 16 HA PHE 16 2.623 -5.424 3.511 53 HB2 PHE 16 HB2 PHE 16 1.482 -3.233 1.718 54 HB3 PHE 16 HB3 PHE 16 1.256 -4.931 1.402 55 HD1 PHE 16 HD1 PHE 16 0.407 -2.264 3.826 56 HD2 PHE 16 HD2 PHE 16 -0.339 -6.282 2.460 57 HE1 PHE 16 HE1 PHE 16 -1.793 -2.247 4.990 58 HE2 PHE 16 HE2 PHE 16 -2.586 -6.238 3.572 59 HZ PHE 16 HZ PHE 16 -3.308 -4.213 4.797 60 H ALA 17 H ALA 17 3.458 -6.819 2.209 61 HA ALA 17 HA ALA 17 5.465 -6.041 0.164 62 HB1 ALA 17 HB1 ALA 17 6.038 -7.960 1.562 63 HB2 ALA 17 HB2 ALA 17 4.500 -8.763 1.160 64 HB3 ALA 17 HB3 ALA 17 5.730 -8.524 -0.092 65 H VAL 18 H VAL 18 5.103 -6.430 -2.085 66 HA VAL 18 HA VAL 18 2.394 -7.232 -3.011 67 HB VAL 18 HB VAL 18 2.423 -5.183 -4.556 68 HG11 VAL 18 HG11 VAL 18 1.437 -3.669 -2.939 69 HG12 VAL 18 HG12 VAL 18 0.915 -5.319 -2.577 70 HG13 VAL 18 HG13 VAL 18 2.173 -4.546 -1.585 71 HG21 VAL 18 HG21 VAL 18 3.643 -3.267 -3.862 72 HG22 VAL 18 HG22 VAL 18 4.444 -4.171 -2.559 73 HG23 VAL 18 HG23 VAL 18 4.769 -4.599 -4.246 74 H GLN 19 H GLN 19 2.253 -7.552 -5.437 75 HA GLN 19 HA GLN 19 4.881 -8.598 -6.443 76 HB2 GLN 19 HB2 GLN 19 2.019 -9.020 -7.326 77 HB3 GLN 19 HB3 GLN 19 3.417 -9.676 -8.171 78 HG2 GLN 19 HG2 GLN 19 2.719 -10.305 -5.272 79 HG3 GLN 19 HG3 GLN 19 2.269 -11.306 -6.657 80 HE21 GLN 19 HE21 GLN 19 4.091 -12.363 -7.919 81 HE22 GLN 19 HE22 GLN 19 5.641 -12.543 -7.097 82 H MET 20 H MET 20 5.927 -6.625 -7.009 83 HA MET 20 HA MET 20 5.387 -5.980 -9.789 84 HB2 MET 20 HB2 MET 20 5.458 -3.502 -9.415 85 HB3 MET 20 HB3 MET 20 3.968 -4.279 -8.868 86 HG2 MET 20 HG2 MET 20 4.824 -4.264 -6.543 87 HG3 MET 20 HG3 MET 20 6.311 -3.483 -7.103 88 HE1 MET 20 HE1 MET 20 4.423 -1.075 -4.838 89 HE2 MET 20 HE2 MET 20 5.387 -2.583 -4.946 90 HE3 MET 20 HE3 MET 20 6.069 -1.066 -5.541 91 H THR 21 H THR 21 7.092 -4.975 -10.862 92 HA THR 21 HA THR 21 9.738 -4.719 -9.534 93 HB THR 21 HB THR 21 9.670 -7.018 -9.875 94 HG1 THR 21 HG1 THR 21 11.170 -7.357 -11.631 95 HG21 THR 21 HG21 THR 21 8.669 -6.597 -12.707 96 HG22 THR 21 HG22 THR 21 7.802 -7.350 -11.341 97 HG23 THR 21 HG23 THR 21 9.206 -8.153 -12.010 98 H CYS 22 H CYS 22 7.658 -3.791 -12.174 99 HA CYS 22 HA CYS 22 9.898 -2.151 -13.263 100 HB2 CYS 22 HB2 CYS 22 9.384 -2.627 -15.334 101 HB3 CYS 22 HB3 CYS 22 8.531 -4.003 -14.673 102 H GLN 23 H GLN 23 9.417 -0.043 -14.010 103 HA GLN 23 HA GLN 23 8.412 1.475 -11.877 104 HB2 GLN 23 HB2 GLN 23 9.504 2.147 -14.585 105 HB3 GLN 23 HB3 GLN 23 8.775 3.425 -13.617 106 HG2 GLN 23 HG2 GLN 23 11.009 1.586 -12.645 107 HG3 GLN 23 HG3 GLN 23 11.236 3.230 -13.238 108 HE21 GLN 23 HE21 GLN 23 11.897 2.198 -10.504 109 HE22 GLN 23 HE22 GLN 23 10.916 3.188 -9.425 110 H SER 24 H SER 24 6.548 0.473 -14.678 111 HA SER 24 HA SER 24 4.443 2.442 -14.417 112 HB2 SER 24 HB2 SER 24 4.328 -0.427 -15.449 113 HB3 SER 24 HB3 SER 24 3.073 0.808 -15.677 114 HG SER 24 HG SER 24 4.611 0.539 -17.455 115 H CYS 25 H CYS 25 5.027 -0.585 -12.635 116 HA CYS 25 HA CYS 25 2.284 -0.714 -11.678 117 HB2 CYS 25 HB2 CYS 25 4.777 -2.318 -11.073 118 HB3 CYS 25 HB3 CYS 25 3.125 -2.735 -10.593 119 H VAL 26 H VAL 26 5.434 0.244 -10.353 120 HA VAL 26 HA VAL 26 4.894 1.040 -7.729 121 HB VAL 26 HB VAL 26 6.370 2.937 -9.582 122 HG11 VAL 26 HG11 VAL 26 8.098 2.752 -7.763 123 HG12 VAL 26 HG12 VAL 26 6.534 3.344 -7.192 124 HG13 VAL 26 HG13 VAL 26 7.034 1.635 -6.906 125 HG21 VAL 26 HG21 VAL 26 8.328 1.520 -9.580 126 HG22 VAL 26 HG22 VAL 26 7.332 0.184 -8.909 127 HG23 VAL 26 HG23 VAL 26 6.985 0.859 -10.517 128 H ASP 27 H ASP 27 4.413 3.012 -10.712 129 HA ASP 27 HA ASP 27 3.031 5.147 -9.412 130 HB2 ASP 27 HB2 ASP 27 4.084 4.809 -11.880 131 HB3 ASP 27 HB3 ASP 27 2.430 4.408 -12.265 132 H ALA 28 H ALA 28 1.905 2.061 -10.783 133 HA ALA 28 HA ALA 28 -0.876 2.776 -10.918 134 HB1 ALA 28 HB1 ALA 28 0.229 0.909 -12.183 135 HB2 ALA 28 HB2 ALA 28 0.341 -0.010 -10.658 136 HB3 ALA 28 HB3 ALA 28 -1.242 0.407 -11.305 137 H VAL 29 H VAL 29 1.043 0.927 -8.413 138 HA VAL 29 HA VAL 29 -1.254 0.641 -6.775 139 HB VAL 29 HB VAL 29 1.662 0.274 -5.999 140 HG11 VAL 29 HG11 VAL 29 -0.945 -0.912 -4.967 141 HG12 VAL 29 HG12 VAL 29 0.685 -1.303 -4.358 142 HG13 VAL 29 HG13 VAL 29 0.028 0.326 -4.118 143 HG21 VAL 29 HG21 VAL 29 1.023 -1.202 -7.975 144 HG22 VAL 29 HG22 VAL 29 1.351 -2.107 -6.504 145 HG23 VAL 29 HG23 VAL 29 -0.322 -1.823 -7.021 146 H ARG 30 H ARG 30 1.405 3.039 -6.824 147 HA ARG 30 HA ARG 30 0.649 4.509 -4.442 148 HB2 ARG 30 HB2 ARG 30 1.847 5.353 -7.146 149 HB3 ARG 30 HB3 ARG 30 1.669 6.461 -5.789 150 HG2 ARG 30 HG2 ARG 30 3.268 5.239 -4.440 151 HG3 ARG 30 HG3 ARG 30 3.325 3.915 -5.590 152 HD2 ARG 30 HD2 ARG 30 5.248 5.135 -6.199 153 HD3 ARG 30 HD3 ARG 30 4.069 5.714 -7.345 154 HE ARG 30 HE ARG 30 4.001 7.333 -4.932 155 HH11 ARG 30 HH11 ARG 30 6.050 7.053 -7.829 156 HH12 ARG 30 HH12 ARG 30 6.908 8.518 -7.316 157 HH21 ARG 30 HH21 ARG 30 4.895 9.259 -4.719 158 HH22 ARG 30 HH22 ARG 30 6.285 9.713 -5.704 159 H LYS 31 H LYS 31 -0.661 4.496 -7.766 160 HA LYS 31 HA LYS 31 -2.541 6.641 -7.114 161 HB2 LYS 31 HB2 LYS 31 -1.948 5.169 -9.665 162 HB3 LYS 31 HB3 LYS 31 -3.261 6.366 -9.488 163 HG2 LYS 31 HG2 LYS 31 -1.728 8.019 -8.556 164 HG3 LYS 31 HG3 LYS 31 -0.373 6.877 -8.614 165 HD2 LYS 31 HD2 LYS 31 -0.391 6.897 -11.027 166 HD3 LYS 31 HD3 LYS 31 -1.810 7.992 -11.048 167 HE2 LYS 31 HE2 LYS 31 -0.619 9.648 -9.724 168 HE3 LYS 31 HE3 LYS 31 0.741 8.565 -9.480 169 HZ1 LYS 31 HZ1 LYS 31 1.217 8.614 -11.861 170 HZ2 LYS 31 HZ2 LYS 31 1.180 10.184 -11.326 171 HZ3 LYS 31 HZ3 LYS 31 -0.088 9.578 -12.151 172 H SER 32 H SER 32 -2.785 3.173 -6.887 173 HA SER 32 HA SER 32 -5.697 3.307 -6.466 174 HB2 SER 32 HB2 SER 32 -4.483 1.142 -6.895 175 HB3 SER 32 HB3 SER 32 -3.809 1.268 -5.254 176 HG SER 32 HG SER 32 -5.699 0.162 -4.983 177 H LEU 33 H LEU 33 -2.745 3.781 -4.550 178 HA LEU 33 HA LEU 33 -4.084 4.171 -2.015 179 HB2 LEU 33 HB2 LEU 33 -1.270 4.752 -3.026 180 HB3 LEU 33 HB3 LEU 33 -1.777 4.948 -1.360 181 HG LEU 33 HG LEU 33 -2.150 2.257 -2.732 182 HD11 LEU 33 HD11 LEU 33 -0.006 1.505 -1.930 183 HD12 LEU 33 HD12 LEU 33 0.400 3.101 -1.282 184 HD13 LEU 33 HD13 LEU 33 0.261 2.851 -3.033 185 HD21 LEU 33 HD21 LEU 33 -3.174 2.697 -0.527 186 HD22 LEU 33 HD22 LEU 33 -1.564 3.136 0.101 187 HD23 LEU 33 HD23 LEU 33 -1.894 1.469 -0.435 188 H GLN 34 H GLN 34 -2.829 6.479 -4.452 189 HA GLN 34 HA GLN 34 -3.241 8.829 -2.922 190 HB2 GLN 34 HB2 GLN 34 -2.780 8.167 -5.784 191 HB3 GLN 34 HB3 GLN 34 -3.388 9.756 -5.517 192 HG2 GLN 34 HG2 GLN 34 -1.567 10.274 -3.961 193 HG3 GLN 34 HG3 GLN 34 -0.982 8.622 -4.036 194 HE21 GLN 34 HE21 GLN 34 1.112 9.792 -4.605 195 HE22 GLN 34 HE22 GLN 34 1.351 10.280 -6.270 196 H GLY 35 H GLY 35 -4.844 10.008 -2.464 197 HA2 GLY 35 HA2 GLY 35 -7.016 10.860 -2.296 198 HA3 GLY 35 HA3 GLY 35 -7.468 9.975 -3.749 199 H VAL 36 H VAL 36 -6.201 7.841 -1.248 200 HA VAL 36 HA VAL 36 -8.762 6.592 -0.884 201 HB VAL 36 HB VAL 36 -6.006 6.210 0.280 202 HG11 VAL 36 HG11 VAL 36 -6.784 4.244 1.515 203 HG12 VAL 36 HG12 VAL 36 -7.505 5.702 2.180 204 HG13 VAL 36 HG13 VAL 36 -8.473 4.638 1.133 205 HG21 VAL 36 HG21 VAL 36 -6.200 4.048 -0.850 206 HG22 VAL 36 HG22 VAL 36 -7.894 4.387 -1.275 207 HG23 VAL 36 HG23 VAL 36 -6.587 5.346 -1.988 208 H ALA 37 H ALA 37 -10.180 6.841 0.553 209 HA ALA 37 HA ALA 37 -10.222 9.162 2.317 210 HB1 ALA 37 HB1 ALA 37 -12.232 8.323 1.153 211 HB2 ALA 37 HB2 ALA 37 -12.151 6.809 2.075 212 HB3 ALA 37 HB3 ALA 37 -12.461 8.352 2.907 213 H GLY 38 H GLY 38 -8.886 9.166 4.012 214 HA2 GLY 38 HA2 GLY 38 -8.455 8.534 6.309 215 HA3 GLY 38 HA3 GLY 38 -8.761 6.850 5.904 216 H VAL 39 H VAL 39 -6.838 8.413 3.454 217 HA VAL 39 HA VAL 39 -4.327 7.371 4.697 218 HB VAL 39 HB VAL 39 -5.162 6.706 2.302 219 HG11 VAL 39 HG11 VAL 39 -4.268 7.956 0.476 220 HG12 VAL 39 HG12 VAL 39 -5.318 9.033 1.402 221 HG13 VAL 39 HG13 VAL 39 -3.552 9.161 1.547 222 HG21 VAL 39 HG21 VAL 39 -2.258 7.457 2.845 223 HG22 VAL 39 HG22 VAL 39 -3.059 5.954 3.345 224 HG23 VAL 39 HG23 VAL 39 -2.841 6.307 1.628 225 H GLN 40 H GLN 40 -2.597 8.682 5.115 226 HA GLN 40 HA GLN 40 -2.825 11.603 4.485 227 HB2 GLN 40 HB2 GLN 40 -1.195 9.977 6.461 228 HB3 GLN 40 HB3 GLN 40 -0.610 11.534 5.909 229 HG2 GLN 40 HG2 GLN 40 -3.338 11.107 7.188 230 HG3 GLN 40 HG3 GLN 40 -1.896 11.638 8.054 231 HE21 GLN 40 HE21 GLN 40 -4.031 13.217 8.255 232 HE22 GLN 40 HE22 GLN 40 -3.855 14.666 7.228 233 H ASP 41 H ASP 41 -0.550 8.814 4.248 234 HA ASP 41 HA ASP 41 0.698 9.935 1.831 235 HB2 ASP 41 HB2 ASP 41 1.895 10.082 4.612 236 HB3 ASP 41 HB3 ASP 41 2.945 9.886 3.255 237 H VAL 42 H VAL 42 2.623 8.690 1.288 238 HA VAL 42 HA VAL 42 2.660 5.841 2.088 239 HB VAL 42 HB VAL 42 2.607 5.108 -0.267 240 HG11 VAL 42 HG11 VAL 42 0.590 4.942 1.136 241 HG12 VAL 42 HG12 VAL 42 0.057 6.540 0.562 242 HG13 VAL 42 HG13 VAL 42 0.218 5.198 -0.574 243 HG21 VAL 42 HG21 VAL 42 3.145 7.187 -1.456 244 HG22 VAL 42 HG22 VAL 42 1.624 6.507 -2.028 245 HG23 VAL 42 HG23 VAL 42 1.603 7.902 -0.935 246 H GLU 43 H GLU 43 4.522 4.676 1.380 247 HA GLU 43 HA GLU 43 6.497 6.084 -0.273 248 HB2 GLU 43 HB2 GLU 43 7.199 6.708 2.010 249 HB3 GLU 43 HB3 GLU 43 7.329 5.003 2.450 250 HG2 GLU 43 HG2 GLU 43 9.097 4.681 0.757 251 HG3 GLU 43 HG3 GLU 43 8.899 6.349 0.210 252 H VAL 44 H VAL 44 6.599 4.672 -1.926 253 HA VAL 44 HA VAL 44 6.513 1.751 -1.390 254 HB VAL 44 HB VAL 44 4.970 2.637 -3.041 255 HG11 VAL 44 HG11 VAL 44 5.657 3.266 -5.223 256 HG12 VAL 44 HG12 VAL 44 6.303 4.441 -4.081 257 HG13 VAL 44 HG13 VAL 44 7.383 3.223 -4.789 258 HG21 VAL 44 HG21 VAL 44 5.380 0.998 -4.732 259 HG22 VAL 44 HG22 VAL 44 7.082 0.828 -4.248 260 HG23 VAL 44 HG23 VAL 44 5.783 0.322 -3.142 261 H HIS 45 H HIS 45 8.146 0.449 -1.580 262 HA HIS 45 HA HIS 45 10.743 1.407 -2.720 263 HB2 HIS 45 HB2 HIS 45 10.231 -0.538 -0.427 264 HB3 HIS 45 HB3 HIS 45 11.765 -0.346 -1.252 265 HD1 HIS 45 HD1 HIS 45 13.420 1.115 -0.021 266 HD2 HIS 45 HD2 HIS 45 9.384 2.010 0.839 267 HE1 HIS 45 HE1 HIS 45 13.444 2.799 1.894 268 H LEU 46 H LEU 46 10.192 0.777 -4.763 269 HA LEU 46 HA LEU 46 9.168 -1.716 -5.631 270 HB2 LEU 46 HB2 LEU 46 9.393 0.466 -6.826 271 HB3 LEU 46 HB3 LEU 46 11.114 0.265 -6.923 272 HG LEU 46 HG LEU 46 9.701 -0.190 -8.985 273 HD11 LEU 46 HD11 LEU 46 11.610 -2.404 -8.248 274 HD12 LEU 46 HD12 LEU 46 12.061 -0.764 -8.778 275 HD13 LEU 46 HD13 LEU 46 11.151 -1.821 -9.859 276 HD21 LEU 46 HD21 LEU 46 8.004 -1.662 -7.800 277 HD22 LEU 46 HD22 LEU 46 9.239 -2.938 -7.773 278 HD23 LEU 46 HD23 LEU 46 8.653 -2.292 -9.322 279 H GLU 47 H GLU 47 12.452 -0.675 -4.919 280 HA GLU 47 HA GLU 47 13.778 -3.109 -5.749 281 HB2 GLU 47 HB2 GLU 47 14.601 -0.716 -4.098 282 HB3 GLU 47 HB3 GLU 47 15.662 -2.119 -4.260 283 HG2 GLU 47 HG2 GLU 47 15.661 -1.964 -6.679 284 HG3 GLU 47 HG3 GLU 47 14.502 -0.635 -6.638 285 H ASP 48 H ASP 48 11.838 -2.655 -2.966 286 HA ASP 48 HA ASP 48 12.866 -5.143 -1.755 287 HB2 ASP 48 HB2 ASP 48 11.648 -2.548 -0.746 288 HB3 ASP 48 HB3 ASP 48 11.577 -3.991 0.181 289 H GLN 49 H GLN 49 10.619 -4.183 -3.892 290 HA GLN 49 HA GLN 49 8.425 -4.347 -4.350 291 HB2 GLN 49 HB2 GLN 49 8.512 -7.159 -3.262 292 HB3 GLN 49 HB3 GLN 49 7.552 -6.488 -4.573 293 HG2 GLN 49 HG2 GLN 49 9.084 -7.598 -5.848 294 HG3 GLN 49 HG3 GLN 49 9.856 -6.036 -5.752 295 HE21 GLN 49 HE21 GLN 49 12.022 -6.732 -5.922 296 HE22 GLN 49 HE22 GLN 49 12.782 -7.833 -4.771 297 H MET 50 H MET 50 8.637 -2.929 -2.092 298 HA MET 50 HA MET 50 6.593 -3.973 -0.170 299 HB2 MET 50 HB2 MET 50 8.853 -4.219 0.710 300 HB3 MET 50 HB3 MET 50 9.239 -2.557 0.289 301 HG2 MET 50 HG2 MET 50 8.876 -2.673 2.645 302 HG3 MET 50 HG3 MET 50 7.617 -1.720 1.919 303 HE1 MET 50 HE1 MET 50 8.473 -5.348 3.131 304 HE2 MET 50 HE2 MET 50 6.845 -5.992 3.446 305 HE3 MET 50 HE3 MET 50 7.375 -5.708 1.776 306 H VAL 51 H VAL 51 5.286 -2.443 0.906 307 HA VAL 51 HA VAL 51 5.334 0.362 -0.098 308 HB VAL 51 HB VAL 51 2.673 -1.048 0.263 309 HG11 VAL 51 HG11 VAL 51 3.768 1.139 -1.568 310 HG12 VAL 51 HG12 VAL 51 2.060 0.672 -1.417 311 HG13 VAL 51 HG13 VAL 51 2.889 1.437 -0.044 312 HG21 VAL 51 HG21 VAL 51 2.565 -1.499 -2.165 313 HG22 VAL 51 HG22 VAL 51 4.320 -1.226 -2.279 314 HG23 VAL 51 HG23 VAL 51 3.669 -2.550 -1.280 315 H LEU 52 H LEU 52 5.421 1.752 1.517 316 HA LEU 52 HA LEU 52 4.221 1.163 4.167 317 HB2 LEU 52 HB2 LEU 52 5.839 3.540 3.162 318 HB3 LEU 52 HB3 LEU 52 5.119 3.412 4.744 319 HG LEU 52 HG LEU 52 6.574 1.178 4.912 320 HD11 LEU 52 HD11 LEU 52 8.174 2.715 2.845 321 HD12 LEU 52 HD12 LEU 52 7.430 1.121 2.606 322 HD13 LEU 52 HD13 LEU 52 8.735 1.311 3.774 323 HD21 LEU 52 HD21 LEU 52 8.428 2.456 5.869 324 HD22 LEU 52 HD22 LEU 52 6.899 3.233 6.289 325 HD23 LEU 52 HD23 LEU 52 7.909 3.911 4.996 326 H VAL 53 H VAL 53 2.347 1.984 4.800 327 HA VAL 53 HA VAL 53 0.997 4.118 3.197 328 HB VAL 53 HB VAL 53 -0.313 1.583 4.252 329 HG11 VAL 53 HG11 VAL 53 -1.822 3.556 4.191 330 HG12 VAL 53 HG12 VAL 53 -1.360 3.874 2.508 331 HG13 VAL 53 HG13 VAL 53 -2.266 2.404 2.928 332 HG21 VAL 53 HG21 VAL 53 1.030 0.962 2.326 333 HG22 VAL 53 HG22 VAL 53 -0.665 1.016 1.843 334 HG23 VAL 53 HG23 VAL 53 0.426 2.351 1.399 335 H HIS 54 H HIS 54 1.032 5.773 4.530 336 HA HIS 54 HA HIS 54 0.635 5.614 7.431 337 HB2 HIS 54 HB2 HIS 54 0.751 8.040 5.596 338 HB3 HIS 54 HB3 HIS 54 0.952 8.042 7.309 339 HD1 HIS 54 HD1 HIS 54 3.377 8.382 7.983 340 HD2 HIS 54 HD2 HIS 54 2.948 6.393 4.310 341 HE1 HIS 54 HE1 HIS 54 5.737 8.008 7.078 342 H THR 55 H THR 55 -1.497 4.979 7.983 343 HA THR 55 HA THR 55 -3.786 6.561 6.934 344 HB THR 55 HB THR 55 -3.450 4.834 5.282 345 HG1 THR 55 HG1 THR 55 -5.584 5.437 5.950 346 HG21 THR 55 HG21 THR 55 -2.390 3.040 6.697 347 HG22 THR 55 HG22 THR 55 -3.743 2.466 5.711 348 HG23 THR 55 HG23 THR 55 -3.973 2.747 7.447 349 H THR 56 H THR 56 -5.805 6.272 8.041 350 HA THR 56 HA THR 56 -5.636 5.168 10.793 351 HB THR 56 HB THR 56 -7.608 6.293 11.371 352 HG1 THR 56 HG1 THR 56 -8.775 7.447 9.622 353 HG21 THR 56 HG21 THR 56 -7.273 8.594 10.841 354 HG22 THR 56 HG22 THR 56 -6.372 8.211 9.363 355 HG23 THR 56 HG23 THR 56 -5.675 7.849 10.958 356 H LEU 57 H LEU 57 -6.461 3.968 7.788 357 HA LEU 57 HA LEU 57 -8.795 2.404 8.384 358 HB2 LEU 57 HB2 LEU 57 -6.677 2.217 6.200 359 HB3 LEU 57 HB3 LEU 57 -8.166 1.301 6.168 360 HG LEU 57 HG LEU 57 -7.911 4.341 6.024 361 HD11 LEU 57 HD11 LEU 57 -7.303 3.046 3.993 362 HD12 LEU 57 HD12 LEU 57 -8.741 4.045 3.769 363 HD13 LEU 57 HD13 LEU 57 -8.915 2.291 4.010 364 HD21 LEU 57 HD21 LEU 57 -9.946 3.931 7.237 365 HD22 LEU 57 HD22 LEU 57 -10.400 2.600 6.153 366 HD23 LEU 57 HD23 LEU 57 -10.387 4.276 5.569 367 HA PRO 58 HA PRO 58 -6.916 -1.255 10.068 368 HB2 PRO 58 HB2 PRO 58 -9.039 -2.974 8.972 369 HB3 PRO 58 HB3 PRO 58 -8.804 -2.475 10.666 370 HG2 PRO 58 HG2 PRO 58 -10.919 -1.574 9.155 371 HG3 PRO 58 HG3 PRO 58 -10.120 -0.525 10.375 372 HD2 PRO 58 HD2 PRO 58 -9.470 -0.735 7.425 373 HD3 PRO 58 HD3 PRO 58 -9.990 0.715 8.224 374 H SER 59 H SER 59 -5.522 -3.044 9.313 375 HA SER 59 HA SER 59 -4.692 -2.907 6.634 376 HB2 SER 59 HB2 SER 59 -3.889 -5.432 7.279 377 HB3 SER 59 HB3 SER 59 -3.015 -3.941 7.585 378 HG SER 59 HG SER 59 -3.572 -5.609 9.387 379 H GLN 60 H GLN 60 -7.282 -4.980 7.897 380 HA GLN 60 HA GLN 60 -7.720 -6.639 5.646 381 HB2 GLN 60 HB2 GLN 60 -9.704 -5.294 7.549 382 HB3 GLN 60 HB3 GLN 60 -10.152 -6.477 6.329 383 HG2 GLN 60 HG2 GLN 60 -10.052 -7.777 8.203 384 HG3 GLN 60 HG3 GLN 60 -8.482 -8.093 7.501 385 HE21 GLN 60 HE21 GLN 60 -10.116 -7.006 10.318 386 HE22 GLN 60 HE22 GLN 60 -8.596 -7.056 11.211 387 H GLU 61 H GLU 61 -8.452 -3.181 6.036 388 HA GLU 61 HA GLU 61 -10.096 -3.043 3.606 389 HB2 GLU 61 HB2 GLU 61 -10.459 -1.670 5.712 390 HB3 GLU 61 HB3 GLU 61 -9.004 -0.744 5.281 391 HG2 GLU 61 HG2 GLU 61 -9.995 0.000 3.217 392 HG3 GLU 61 HG3 GLU 61 -11.353 -1.118 3.448 393 H VAL 62 H VAL 62 -6.803 -2.027 4.665 394 HA VAL 62 HA VAL 62 -6.108 -0.786 2.204 395 HB VAL 62 HB VAL 62 -4.102 -2.015 4.126 396 HG11 VAL 62 HG11 VAL 62 -2.757 -0.061 3.496 397 HG12 VAL 62 HG12 VAL 62 -3.320 -0.875 2.030 398 HG13 VAL 62 HG13 VAL 62 -4.127 0.606 2.571 399 HG21 VAL 62 HG21 VAL 62 -5.596 0.577 4.630 400 HG22 VAL 62 HG22 VAL 62 -5.531 -0.867 5.666 401 HG23 VAL 62 HG23 VAL 62 -4.087 0.081 5.443 402 H GLN 63 H GLN 63 -5.618 -4.111 3.452 403 HA GLN 63 HA GLN 63 -4.128 -5.347 1.379 404 HB2 GLN 63 HB2 GLN 63 -4.792 -6.434 3.453 405 HB3 GLN 63 HB3 GLN 63 -6.480 -6.270 3.046 406 HG2 GLN 63 HG2 GLN 63 -6.067 -7.777 1.030 407 HG3 GLN 63 HG3 GLN 63 -4.415 -8.011 1.646 408 HE21 GLN 63 HE21 GLN 63 -5.455 -10.324 1.474 409 HE22 GLN 63 HE22 GLN 63 -6.178 -10.896 2.971 410 H ALA 64 H ALA 64 -7.692 -4.634 1.408 411 HA ALA 64 HA ALA 64 -7.967 -5.827 -1.247 412 HB1 ALA 64 HB1 ALA 64 -10.364 -5.072 -0.899 413 HB2 ALA 64 HB2 ALA 64 -9.728 -6.160 0.350 414 HB3 ALA 64 HB3 ALA 64 -9.860 -4.430 0.686 415 H LEU 65 H LEU 65 -7.373 -2.576 0.048 416 HA LEU 65 HA LEU 65 -8.009 -1.167 -2.353 417 HB2 LEU 65 HB2 LEU 65 -6.371 -0.522 0.076 418 HB3 LEU 65 HB3 LEU 65 -6.421 0.555 -1.293 419 HG LEU 65 HG LEU 65 -8.930 -0.379 0.167 420 HD11 LEU 65 HD11 LEU 65 -7.538 0.886 1.707 421 HD12 LEU 65 HD12 LEU 65 -8.920 1.865 1.206 422 HD13 LEU 65 HD13 LEU 65 -7.319 2.167 0.487 423 HD21 LEU 65 HD21 LEU 65 -9.953 1.615 -0.912 424 HD22 LEU 65 HD22 LEU 65 -9.418 0.427 -2.095 425 HD23 LEU 65 HD23 LEU 65 -8.445 1.890 -1.812 426 H LEU 66 H LEU 66 -5.026 -2.515 -1.036 427 HA LEU 66 HA LEU 66 -3.246 -1.865 -3.203 428 HB2 LEU 66 HB2 LEU 66 -3.197 -3.966 -0.999 429 HB3 LEU 66 HB3 LEU 66 -1.842 -3.672 -2.081 430 HG LEU 66 HG LEU 66 -2.970 -1.377 -0.440 431 HD11 LEU 66 HD11 LEU 66 -2.550 -3.139 1.198 432 HD12 LEU 66 HD12 LEU 66 -1.286 -1.918 1.300 433 HD13 LEU 66 HD13 LEU 66 -0.954 -3.461 0.478 434 HD21 LEU 66 HD21 LEU 66 -0.636 -0.587 -0.597 435 HD22 LEU 66 HD22 LEU 66 -1.344 -0.841 -2.201 436 HD23 LEU 66 HD23 LEU 66 -0.200 -2.030 -1.531 437 H GLU 67 H GLU 67 -4.914 -4.945 -2.361 438 HA GLU 67 HA GLU 67 -4.369 -6.456 -4.705 439 HB2 GLU 67 HB2 GLU 67 -6.667 -6.353 -2.723 440 HB3 GLU 67 HB3 GLU 67 -6.726 -7.440 -4.057 441 HG2 GLU 67 HG2 GLU 67 -4.425 -8.308 -3.285 442 HG3 GLU 67 HG3 GLU 67 -4.710 -7.473 -1.784 443 H GLY 68 H GLY 68 -6.438 -3.700 -4.315 444 HA2 GLY 68 HA2 GLY 68 -8.285 -4.118 -6.505 445 HA3 GLY 68 HA3 GLY 68 -7.953 -2.607 -5.648 446 H THR 69 H THR 69 -4.973 -3.330 -6.367 447 HA THR 69 HA THR 69 -4.929 -1.967 -8.964 448 HB THR 69 HB THR 69 -2.280 -2.624 -7.805 449 HG1 THR 69 HG1 THR 69 -3.339 -2.205 -5.875 450 HG21 THR 69 HG21 THR 69 -3.603 -0.009 -8.518 451 HG22 THR 69 HG22 THR 69 -2.910 -1.108 -9.740 452 HG23 THR 69 HG23 THR 69 -1.867 -0.440 -8.497 453 H GLY 70 H GLY 70 -5.466 -5.045 -8.371 454 HA2 GLY 70 HA2 GLY 70 -5.568 -6.757 -9.899 455 HA3 GLY 70 HA3 GLY 70 -4.776 -5.724 -11.098 456 H ARG 71 H ARG 71 -3.258 -6.357 -8.033 457 HA ARG 71 HA ARG 71 -1.670 -8.667 -8.835 458 HB2 ARG 71 HB2 ARG 71 0.473 -7.444 -8.175 459 HB3 ARG 71 HB3 ARG 71 -0.212 -7.087 -9.746 460 HG2 ARG 71 HG2 ARG 71 -1.253 -4.998 -8.743 461 HG3 ARG 71 HG3 ARG 71 -0.504 -5.359 -7.224 462 HD2 ARG 71 HD2 ARG 71 0.656 -3.615 -8.643 463 HD3 ARG 71 HD3 ARG 71 1.663 -4.971 -8.147 464 HE ARG 71 HE ARG 71 2.054 -5.442 -10.361 465 HH11 ARG 71 HH11 ARG 71 -1.185 -3.873 -10.509 466 HH12 ARG 71 HH12 ARG 71 -1.099 -3.978 -12.235 467 HH21 ARG 71 HH21 ARG 71 1.866 -5.537 -12.456 468 HH22 ARG 71 HH22 ARG 71 0.444 -4.862 -13.279 469 H GLN 72 H GLN 72 -0.477 -9.500 -7.054 470 HA GLN 72 HA GLN 72 -2.157 -9.522 -4.753 471 HB2 GLN 72 HB2 GLN 72 -0.850 -11.431 -5.754 472 HB3 GLN 72 HB3 GLN 72 0.585 -10.798 -4.969 473 HG2 GLN 72 HG2 GLN 72 -0.505 -12.658 -3.714 474 HG3 GLN 72 HG3 GLN 72 -0.381 -11.167 -2.778 475 HE21 GLN 72 HE21 GLN 72 -2.265 -10.726 -1.597 476 HE22 GLN 72 HE22 GLN 72 -3.862 -10.942 -2.266 477 H ALA 73 H ALA 73 -1.809 -9.080 -2.755 478 HA ALA 73 HA ALA 73 0.480 -7.447 -1.753 479 HB1 ALA 73 HB1 ALA 73 -1.040 -6.023 -0.505 480 HB2 ALA 73 HB2 ALA 73 -1.446 -5.933 -2.235 481 HB3 ALA 73 HB3 ALA 73 -2.454 -6.898 -1.137 482 H VAL 74 H VAL 74 1.239 -8.207 0.129 483 HA VAL 74 HA VAL 74 -0.388 -10.009 1.864 484 HB VAL 74 HB VAL 74 2.402 -10.561 0.816 485 HG11 VAL 74 HG11 VAL 74 0.889 -11.977 3.057 486 HG12 VAL 74 HG12 VAL 74 2.372 -12.584 2.292 487 HG13 VAL 74 HG13 VAL 74 2.425 -11.085 3.210 488 HG21 VAL 74 HG21 VAL 74 0.627 -11.389 -0.659 489 HG22 VAL 74 HG22 VAL 74 1.388 -12.756 0.154 490 HG23 VAL 74 HG23 VAL 74 -0.196 -12.159 0.716 491 H LEU 75 H LEU 75 -0.392 -9.149 3.810 492 HA LEU 75 HA LEU 75 1.358 -6.982 4.493 493 HB2 LEU 75 HB2 LEU 75 -0.924 -7.140 5.151 494 HB3 LEU 75 HB3 LEU 75 -0.595 -8.467 6.209 495 HG LEU 75 HG LEU 75 0.685 -7.084 7.744 496 HD11 LEU 75 HD11 LEU 75 0.817 -5.064 5.454 497 HD12 LEU 75 HD12 LEU 75 2.150 -5.641 6.467 498 HD13 LEU 75 HD13 LEU 75 0.985 -4.547 7.126 499 HD21 LEU 75 HD21 LEU 75 -1.786 -6.625 7.444 500 HD22 LEU 75 HD22 LEU 75 -1.252 -5.285 6.366 501 HD23 LEU 75 HD23 LEU 75 -0.818 -5.271 8.120 502 H LYS 76 H LYS 76 3.047 -6.838 5.674 503 HA LYS 76 HA LYS 76 4.358 -9.299 6.742 504 HB2 LYS 76 HB2 LYS 76 5.657 -6.710 5.848 505 HB3 LYS 76 HB3 LYS 76 6.484 -8.145 6.423 506 HG2 LYS 76 HG2 LYS 76 4.823 -7.911 3.880 507 HG3 LYS 76 HG3 LYS 76 6.578 -7.983 3.977 508 HD2 LYS 76 HD2 LYS 76 4.809 -10.295 4.839 509 HD3 LYS 76 HD3 LYS 76 5.436 -10.071 3.212 510 HE2 LYS 76 HE2 LYS 76 7.767 -10.029 4.091 511 HE3 LYS 76 HE3 LYS 76 7.147 -10.318 5.725 512 HZ1 LYS 76 HZ1 LYS 76 6.212 -12.385 4.950 513 HZ2 LYS 76 HZ2 LYS 76 7.820 -12.382 4.696 514 HZ3 LYS 76 HZ3 LYS 76 6.788 -12.145 3.409 515 H GLY 77 H GLY 77 3.529 -5.984 7.634 516 HA2 GLY 77 HA2 GLY 77 2.599 -6.577 10.106 517 HA3 GLY 77 HA3 GLY 77 4.305 -6.208 10.414 518 H MET 78 H MET 78 3.025 -4.491 11.693 519 HA MET 78 HA MET 78 2.258 -2.126 10.152 520 HB2 MET 78 HB2 MET 78 2.268 -2.695 13.142 521 HB3 MET 78 HB3 MET 78 1.788 -1.184 12.378 522 HG2 MET 78 HG2 MET 78 -0.295 -2.189 12.529 523 HG3 MET 78 HG3 MET 78 0.205 -2.676 10.934 524 HE1 MET 78 HE1 MET 78 -1.153 -4.918 10.501 525 HE2 MET 78 HE2 MET 78 -1.739 -5.848 11.888 526 HE3 MET 78 HE3 MET 78 -2.078 -4.105 11.790 527 H GLY 79 H GLY 79 3.167 -0.110 10.591 528 HA2 GLY 79 HA2 GLY 79 6.135 -0.165 10.568 529 HA3 GLY 79 HA3 GLY 79 5.126 1.148 10.024 Start of MODEL 11 1 H GLY 9 H GLY 9 -11.005 7.494 13.943 2 HA2 GLY 9 HA2 GLY 9 -9.676 5.509 15.046 3 HA3 GLY 9 HA3 GLY 9 -9.583 5.049 13.332 4 H THR 10 H THR 10 -7.477 5.647 14.879 5 HA THR 10 HA THR 10 -6.338 8.121 13.751 6 HB THR 10 HB THR 10 -6.430 8.103 16.185 7 HG1 THR 10 HG1 THR 10 -4.695 9.164 15.110 8 HG21 THR 10 HG21 THR 10 -4.920 6.644 17.496 9 HG22 THR 10 HG22 THR 10 -4.470 5.765 16.020 10 HG23 THR 10 HG23 THR 10 -6.135 5.686 16.639 11 H LEU 11 H LEU 11 -4.098 8.131 13.349 12 HA LEU 11 HA LEU 11 -3.754 6.405 11.098 13 HB2 LEU 11 HB2 LEU 11 -3.192 9.000 11.518 14 HB3 LEU 11 HB3 LEU 11 -1.627 8.351 11.957 15 HG LEU 11 HG LEU 11 -2.063 6.977 9.626 16 HD11 LEU 11 HD11 LEU 11 -3.407 9.677 9.296 17 HD12 LEU 11 HD12 LEU 11 -4.183 8.100 9.132 18 HD13 LEU 11 HD13 LEU 11 -2.947 8.612 7.960 19 HD21 LEU 11 HD21 LEU 11 -0.910 9.765 9.741 20 HD22 LEU 11 HD22 LEU 11 -0.672 8.498 8.488 21 HD23 LEU 11 HD23 LEU 11 -0.065 8.244 10.131 22 H CYS 12 H CYS 12 -2.203 4.979 10.578 23 HA CYS 12 HA CYS 12 0.204 4.629 12.169 24 HB2 CYS 12 HB2 CYS 12 -1.806 3.044 13.022 25 HB3 CYS 12 HB3 CYS 12 -1.252 2.068 11.637 26 HG CYS 12 HG CYS 12 0.544 3.275 14.172 27 H THR 13 H THR 13 1.755 3.265 11.147 28 HA THR 13 HA THR 13 1.664 3.295 8.171 29 HB THR 13 HB THR 13 3.835 2.649 10.174 30 HG1 THR 13 HG1 THR 13 4.642 4.681 9.425 31 HG21 THR 13 HG21 THR 13 5.391 2.912 8.246 32 HG22 THR 13 HG22 THR 13 4.005 3.079 7.144 33 HG23 THR 13 HG23 THR 13 4.309 1.538 7.985 34 H LEU 14 H LEU 14 0.934 1.550 7.135 35 HA LEU 14 HA LEU 14 1.422 -1.209 8.237 36 HB2 LEU 14 HB2 LEU 14 -0.609 -0.022 6.366 37 HB3 LEU 14 HB3 LEU 14 -0.154 -1.716 6.234 38 HG LEU 14 HG LEU 14 -1.068 -2.341 8.264 39 HD11 LEU 14 HD11 LEU 14 -0.179 -0.692 9.791 40 HD12 LEU 14 HD12 LEU 14 -1.906 -0.923 10.021 41 HD13 LEU 14 HD13 LEU 14 -1.317 0.534 9.175 42 HD21 LEU 14 HD21 LEU 14 -2.801 -1.689 6.590 43 HD22 LEU 14 HD22 LEU 14 -2.851 -0.058 7.293 44 HD23 LEU 14 HD23 LEU 14 -3.372 -1.450 8.252 45 H GLU 15 H GLU 15 2.916 -2.461 7.338 46 HA GLU 15 HA GLU 15 4.402 -1.490 4.934 47 HB2 GLU 15 HB2 GLU 15 5.239 -3.296 7.244 48 HB3 GLU 15 HB3 GLU 15 6.240 -2.889 5.841 49 HG2 GLU 15 HG2 GLU 15 6.025 -0.488 6.423 50 HG3 GLU 15 HG3 GLU 15 5.182 -0.926 7.916 51 H PHE 16 H PHE 16 3.274 -2.413 3.255 52 HA PHE 16 HA PHE 16 2.648 -5.344 3.396 53 HB2 PHE 16 HB2 PHE 16 1.636 -3.128 1.592 54 HB3 PHE 16 HB3 PHE 16 1.334 -4.828 1.301 55 HD1 PHE 16 HD2 PHE 16 -0.153 -6.204 2.597 56 HD2 PHE 16 HD1 PHE 16 0.429 -2.017 3.466 57 HE1 PHE 16 HE2 PHE 16 -2.365 -6.132 3.720 58 HE2 PHE 16 HE1 PHE 16 -1.752 -1.962 4.630 59 HZ PHE 16 HZ PHE 16 -3.180 -4.021 4.717 60 H ALA 17 H ALA 17 3.166 -6.774 1.853 61 HA ALA 17 HA ALA 17 5.333 -6.085 -0.117 62 HB1 ALA 17 HB1 ALA 17 6.066 -7.718 1.536 63 HB2 ALA 17 HB2 ALA 17 4.652 -8.751 1.186 64 HB3 ALA 17 HB3 ALA 17 5.902 -8.493 -0.048 65 H VAL 18 H VAL 18 4.942 -6.320 -2.263 66 HA VAL 18 HA VAL 18 2.352 -7.493 -3.166 67 HB VAL 18 HB VAL 18 1.916 -5.374 -4.441 68 HG11 VAL 18 HG11 VAL 18 0.699 -5.787 -2.313 69 HG12 VAL 18 HG12 VAL 18 2.010 -4.976 -1.407 70 HG13 VAL 18 HG13 VAL 18 1.028 -4.076 -2.567 71 HG21 VAL 18 HG21 VAL 18 3.993 -4.229 -2.574 72 HG22 VAL 18 HG22 VAL 18 4.187 -4.448 -4.331 73 HG23 VAL 18 HG23 VAL 18 2.923 -3.355 -3.690 74 H GLN 19 H GLN 19 2.011 -7.733 -5.449 75 HA GLN 19 HA GLN 19 4.480 -8.534 -6.858 76 HB2 GLN 19 HB2 GLN 19 1.516 -8.709 -7.404 77 HB3 GLN 19 HB3 GLN 19 2.686 -9.098 -8.658 78 HG2 GLN 19 HG2 GLN 19 3.628 -10.901 -7.395 79 HG3 GLN 19 HG3 GLN 19 2.729 -10.456 -5.944 80 HE21 GLN 19 HE21 GLN 19 2.472 -13.066 -6.743 81 HE22 GLN 19 HE22 GLN 19 0.838 -13.271 -7.345 82 H MET 20 H MET 20 5.559 -6.394 -7.163 83 HA MET 20 HA MET 20 4.869 -5.623 -9.932 84 HB2 MET 20 HB2 MET 20 5.440 -3.205 -9.350 85 HB3 MET 20 HB3 MET 20 3.844 -3.803 -8.904 86 HG2 MET 20 HG2 MET 20 4.412 -3.971 -6.598 87 HG3 MET 20 HG3 MET 20 6.139 -3.745 -6.925 88 HE1 MET 20 HE1 MET 20 5.778 -1.943 -4.848 89 HE2 MET 20 HE2 MET 20 4.609 -0.569 -4.962 90 HE3 MET 20 HE3 MET 20 4.032 -2.249 -5.001 91 H THR 21 H THR 21 6.602 -4.532 -11.109 92 HA THR 21 HA THR 21 9.304 -5.486 -10.244 93 HB THR 21 HB THR 21 9.621 -6.212 -12.610 94 HG1 THR 21 HG1 THR 21 7.996 -6.279 -13.952 95 HG21 THR 21 HG21 THR 21 7.265 -7.571 -11.226 96 HG22 THR 21 HG22 THR 21 8.986 -7.882 -10.898 97 HG23 THR 21 HG23 THR 21 8.305 -8.266 -12.483 98 H CYS 22 H CYS 22 7.730 -3.044 -12.294 99 HA CYS 22 HA CYS 22 10.299 -1.563 -12.373 100 HB2 CYS 22 HB2 CYS 22 10.394 -1.517 -14.691 101 HB3 CYS 22 HB3 CYS 22 9.916 -3.156 -14.333 102 H GLN 23 H GLN 23 9.934 0.580 -13.574 103 HA GLN 23 HA GLN 23 8.828 2.246 -11.673 104 HB2 GLN 23 HB2 GLN 23 9.503 2.842 -14.574 105 HB3 GLN 23 HB3 GLN 23 9.193 4.077 -13.358 106 HG2 GLN 23 HG2 GLN 23 11.445 2.024 -13.212 107 HG3 GLN 23 HG3 GLN 23 11.616 3.691 -13.735 108 HE21 GLN 23 HE21 GLN 23 12.040 1.702 -11.042 109 HE22 GLN 23 HE22 GLN 23 11.911 2.964 -9.820 110 H SER 24 H SER 24 7.010 1.098 -14.517 111 HA SER 24 HA SER 24 4.885 3.088 -14.199 112 HB2 SER 24 HB2 SER 24 3.762 1.774 -15.981 113 HB3 SER 24 HB3 SER 24 5.398 2.283 -16.412 114 HG SER 24 HG SER 24 4.407 -0.270 -15.792 115 H CYS 25 H CYS 25 5.511 -0.034 -12.756 116 HA CYS 25 HA CYS 25 2.706 -0.552 -12.084 117 HB2 CYS 25 HB2 CYS 25 5.304 -1.839 -11.171 118 HB3 CYS 25 HB3 CYS 25 3.668 -2.450 -10.913 119 H VAL 26 H VAL 26 5.661 0.561 -10.476 120 HA VAL 26 HA VAL 26 4.904 1.071 -7.828 121 HB VAL 26 HB VAL 26 6.524 3.167 -9.256 122 HG11 VAL 26 HG11 VAL 26 6.528 3.109 -6.813 123 HG12 VAL 26 HG12 VAL 26 7.124 1.414 -6.843 124 HG13 VAL 26 HG13 VAL 26 8.133 2.727 -7.426 125 HG21 VAL 26 HG21 VAL 26 7.433 0.307 -9.158 126 HG22 VAL 26 HG22 VAL 26 7.179 1.380 -10.551 127 HG23 VAL 26 HG23 VAL 26 8.493 1.732 -9.435 128 H ASP 27 H ASP 27 4.635 3.248 -10.641 129 HA ASP 27 HA ASP 27 3.212 5.405 -9.506 130 HB2 ASP 27 HB2 ASP 27 4.366 5.084 -11.817 131 HB3 ASP 27 HB3 ASP 27 2.911 4.259 -12.294 132 H ALA 28 H ALA 28 2.040 2.353 -10.893 133 HA ALA 28 HA ALA 28 -0.744 3.211 -10.979 134 HB1 ALA 28 HB1 ALA 28 0.197 1.556 -12.547 135 HB2 ALA 28 HB2 ALA 28 0.464 0.419 -11.208 136 HB3 ALA 28 HB3 ALA 28 -1.188 0.894 -11.643 137 H VAL 29 H VAL 29 1.079 0.930 -8.794 138 HA VAL 29 HA VAL 29 -1.172 0.545 -7.140 139 HB VAL 29 HB VAL 29 1.733 0.123 -6.343 140 HG11 VAL 29 HG11 VAL 29 -0.834 -1.338 -5.621 141 HG12 VAL 29 HG12 VAL 29 0.779 -1.623 -4.927 142 HG13 VAL 29 HG13 VAL 29 -0.069 -0.105 -4.576 143 HG21 VAL 29 HG21 VAL 29 1.382 -2.240 -7.123 144 HG22 VAL 29 HG22 VAL 29 -0.179 -1.754 -7.828 145 HG23 VAL 29 HG23 VAL 29 1.331 -1.124 -8.475 146 H ARG 30 H ARG 30 1.423 3.014 -7.018 147 HA ARG 30 HA ARG 30 0.641 4.284 -4.548 148 HB2 ARG 30 HB2 ARG 30 1.836 5.208 -7.236 149 HB3 ARG 30 HB3 ARG 30 1.470 6.388 -5.991 150 HG2 ARG 30 HG2 ARG 30 3.098 5.568 -4.510 151 HG3 ARG 30 HG3 ARG 30 3.303 4.054 -5.397 152 HD2 ARG 30 HD2 ARG 30 4.649 4.999 -7.036 153 HD3 ARG 30 HD3 ARG 30 3.816 6.541 -6.984 154 HE ARG 30 HE ARG 30 6.255 5.887 -5.647 155 HH11 ARG 30 HH11 ARG 30 3.746 8.242 -5.679 156 HH12 ARG 30 HH12 ARG 30 4.382 9.108 -4.316 157 HH21 ARG 30 HH21 ARG 30 6.985 6.942 -3.766 158 HH22 ARG 30 HH22 ARG 30 6.059 8.308 -3.187 159 H LYS 31 H LYS 31 -0.732 4.580 -7.835 160 HA LYS 31 HA LYS 31 -2.464 6.768 -6.972 161 HB2 LYS 31 HB2 LYS 31 -1.930 5.417 -9.615 162 HB3 LYS 31 HB3 LYS 31 -3.205 6.650 -9.402 163 HG2 LYS 31 HG2 LYS 31 -1.677 8.219 -8.427 164 HG3 LYS 31 HG3 LYS 31 -0.361 7.027 -8.358 165 HD2 LYS 31 HD2 LYS 31 -0.143 7.078 -10.784 166 HD3 LYS 31 HD3 LYS 31 -1.465 8.288 -10.889 167 HE2 LYS 31 HE2 LYS 31 -0.267 9.798 -9.383 168 HE3 LYS 31 HE3 LYS 31 0.946 8.586 -9.030 169 HZ1 LYS 31 HZ1 LYS 31 1.696 8.697 -11.337 170 HZ2 LYS 31 HZ2 LYS 31 1.761 10.188 -10.640 171 HZ3 LYS 31 HZ3 LYS 31 0.552 9.853 -11.697 172 H SER 32 H SER 32 -2.932 3.343 -7.111 173 HA SER 32 HA SER 32 -5.790 3.523 -6.510 174 HB2 SER 32 HB2 SER 32 -4.643 1.452 -7.341 175 HB3 SER 32 HB3 SER 32 -3.852 1.320 -5.753 176 HG SER 32 HG SER 32 -6.125 1.450 -4.927 177 H LEU 33 H LEU 33 -2.969 4.366 -4.659 178 HA LEU 33 HA LEU 33 -4.426 4.230 -2.054 179 HB2 LEU 33 HB2 LEU 33 -1.568 5.106 -2.630 180 HB3 LEU 33 HB3 LEU 33 -2.269 4.819 -1.060 181 HG LEU 33 HG LEU 33 -1.968 2.608 -3.127 182 HD11 LEU 33 HD11 LEU 33 -0.058 3.350 -0.881 183 HD12 LEU 33 HD12 LEU 33 0.263 3.529 -2.612 184 HD13 LEU 33 HD13 LEU 33 0.050 1.915 -1.934 185 HD21 LEU 33 HD21 LEU 33 -2.088 1.150 -1.234 186 HD22 LEU 33 HD22 LEU 33 -3.541 2.163 -1.316 187 HD23 LEU 33 HD23 LEU 33 -2.257 2.534 -0.124 188 H GLN 34 H GLN 34 -3.019 6.533 -4.354 189 HA GLN 34 HA GLN 34 -3.311 8.859 -2.747 190 HB2 GLN 34 HB2 GLN 34 -2.793 8.242 -5.620 191 HB3 GLN 34 HB3 GLN 34 -3.117 9.893 -5.241 192 HG2 GLN 34 HG2 GLN 34 -1.280 10.036 -3.688 193 HG3 GLN 34 HG3 GLN 34 -1.089 8.291 -3.643 194 HE21 GLN 34 HE21 GLN 34 1.229 8.965 -4.057 195 HE22 GLN 34 HE22 GLN 34 1.687 9.088 -5.765 196 H GLY 35 H GLY 35 -4.854 10.112 -2.312 197 HA2 GLY 35 HA2 GLY 35 -6.939 11.200 -2.329 198 HA3 GLY 35 HA3 GLY 35 -7.361 10.375 -3.826 199 H VAL 36 H VAL 36 -6.434 8.258 -1.145 200 HA VAL 36 HA VAL 36 -9.226 7.346 -0.868 201 HB VAL 36 HB VAL 36 -6.600 6.233 0.179 202 HG11 VAL 36 HG11 VAL 36 -9.441 5.160 0.508 203 HG12 VAL 36 HG12 VAL 36 -7.951 4.275 0.902 204 HG13 VAL 36 HG13 VAL 36 -8.367 5.732 1.806 205 HG21 VAL 36 HG21 VAL 36 -8.603 5.149 -1.865 206 HG22 VAL 36 HG22 VAL 36 -7.037 5.878 -2.269 207 HG23 VAL 36 HG23 VAL 36 -7.089 4.367 -1.357 208 H ALA 37 H ALA 37 -10.432 7.852 0.802 209 HA ALA 37 HA ALA 37 -9.680 10.008 2.556 210 HB1 ALA 37 HB1 ALA 37 -12.136 8.210 2.601 211 HB2 ALA 37 HB2 ALA 37 -11.955 9.755 3.452 212 HB3 ALA 37 HB3 ALA 37 -11.965 9.717 1.676 213 H GLY 38 H GLY 38 -8.456 9.866 4.287 214 HA2 GLY 38 HA2 GLY 38 -8.064 9.132 6.565 215 HA3 GLY 38 HA3 GLY 38 -8.582 7.502 6.129 216 H VAL 39 H VAL 39 -6.627 8.764 3.607 217 HA VAL 39 HA VAL 39 -4.148 7.542 4.708 218 HB VAL 39 HB VAL 39 -5.069 7.167 2.285 219 HG11 VAL 39 HG11 VAL 39 -3.379 9.628 1.715 220 HG12 VAL 39 HG12 VAL 39 -4.271 8.604 0.573 221 HG13 VAL 39 HG13 VAL 39 -5.147 9.631 1.720 222 HG21 VAL 39 HG21 VAL 39 -2.957 6.247 3.163 223 HG22 VAL 39 HG22 VAL 39 -2.795 6.772 1.482 224 HG23 VAL 39 HG23 VAL 39 -2.122 7.769 2.785 225 H GLN 40 H GLN 40 -2.319 8.715 5.137 226 HA GLN 40 HA GLN 40 -2.346 11.697 4.833 227 HB2 GLN 40 HB2 GLN 40 -1.110 9.733 6.748 228 HB3 GLN 40 HB3 GLN 40 -0.194 11.174 6.408 229 HG2 GLN 40 HG2 GLN 40 -3.118 11.287 7.205 230 HG3 GLN 40 HG3 GLN 40 -1.827 11.259 8.398 231 HE21 GLN 40 HE21 GLN 40 -3.622 13.425 8.203 232 HE22 GLN 40 HE22 GLN 40 -2.646 14.842 7.751 233 H ASP 41 H ASP 41 -0.291 8.779 4.390 234 HA ASP 41 HA ASP 41 1.093 10.017 2.113 235 HB2 ASP 41 HB2 ASP 41 2.380 9.533 4.817 236 HB3 ASP 41 HB3 ASP 41 3.330 9.375 3.372 237 H VAL 42 H VAL 42 2.686 8.667 1.258 238 HA VAL 42 HA VAL 42 2.447 5.699 1.615 239 HB VAL 42 HB VAL 42 2.538 7.210 -1.058 240 HG11 VAL 42 HG11 VAL 42 2.189 4.981 -2.106 241 HG12 VAL 42 HG12 VAL 42 3.739 5.102 -1.294 242 HG13 VAL 42 HG13 VAL 42 2.404 4.215 -0.518 243 HG21 VAL 42 HG21 VAL 42 0.329 6.260 -1.524 244 HG22 VAL 42 HG22 VAL 42 0.290 5.545 0.121 245 HG23 VAL 42 HG23 VAL 42 0.274 7.311 -0.115 246 H GLU 43 H GLU 43 4.393 4.662 1.273 247 HA GLU 43 HA GLU 43 6.481 6.041 -0.236 248 HB2 GLU 43 HB2 GLU 43 7.125 6.745 1.974 249 HB3 GLU 43 HB3 GLU 43 7.116 5.089 2.591 250 HG2 GLU 43 HG2 GLU 43 9.047 4.512 1.460 251 HG3 GLU 43 HG3 GLU 43 8.820 5.721 0.207 252 H VAL 44 H VAL 44 6.687 4.650 -1.862 253 HA VAL 44 HA VAL 44 6.593 1.724 -1.321 254 HB VAL 44 HB VAL 44 5.090 2.131 -2.990 255 HG11 VAL 44 HG11 VAL 44 5.630 4.401 -3.636 256 HG12 VAL 44 HG12 VAL 44 7.062 3.811 -4.531 257 HG13 VAL 44 HG13 VAL 44 5.411 3.304 -5.001 258 HG21 VAL 44 HG21 VAL 44 7.614 1.359 -4.491 259 HG22 VAL 44 HG22 VAL 44 6.629 0.250 -3.511 260 HG23 VAL 44 HG23 VAL 44 5.939 1.035 -4.949 261 H HIS 45 H HIS 45 8.191 0.517 -1.392 262 HA HIS 45 HA HIS 45 10.826 1.453 -2.415 263 HB2 HIS 45 HB2 HIS 45 10.175 -0.609 -0.225 264 HB3 HIS 45 HB3 HIS 45 11.763 -0.348 -0.903 265 HD1 HIS 45 HD1 HIS 45 13.176 0.760 0.825 266 HD2 HIS 45 HD2 HIS 45 9.202 2.114 0.904 267 HE1 HIS 45 HE1 HIS 45 13.095 2.624 2.560 268 H LEU 46 H LEU 46 10.413 0.916 -4.498 269 HA LEU 46 HA LEU 46 9.269 -1.479 -5.478 270 HB2 LEU 46 HB2 LEU 46 9.704 0.712 -6.617 271 HB3 LEU 46 HB3 LEU 46 11.398 0.355 -6.701 272 HG LEU 46 HG LEU 46 9.932 0.043 -8.786 273 HD11 LEU 46 HD11 LEU 46 11.254 -1.780 -9.648 274 HD12 LEU 46 HD12 LEU 46 11.767 -2.235 -8.016 275 HD13 LEU 46 HD13 LEU 46 12.248 -0.670 -8.694 276 HD21 LEU 46 HD21 LEU 46 8.820 -2.040 -9.161 277 HD22 LEU 46 HD22 LEU 46 8.145 -1.347 -7.674 278 HD23 LEU 46 HD23 LEU 46 9.314 -2.683 -7.587 279 H GLU 47 H GLU 47 12.606 -0.687 -4.606 280 HA GLU 47 HA GLU 47 13.775 -3.137 -5.637 281 HB2 GLU 47 HB2 GLU 47 14.886 -1.141 -3.630 282 HB3 GLU 47 HB3 GLU 47 15.786 -2.459 -4.375 283 HG2 GLU 47 HG2 GLU 47 15.234 -1.495 -6.642 284 HG3 GLU 47 HG3 GLU 47 14.621 -0.058 -5.813 285 H ASP 48 H ASP 48 11.870 -2.736 -2.792 286 HA ASP 48 HA ASP 48 12.719 -5.438 -1.869 287 HB2 ASP 48 HB2 ASP 48 12.106 -2.916 -0.406 288 HB3 ASP 48 HB3 ASP 48 11.170 -4.234 0.130 289 H GLN 49 H GLN 49 10.528 -4.085 -3.839 290 HA GLN 49 HA GLN 49 8.338 -4.195 -4.338 291 HB2 GLN 49 HB2 GLN 49 8.408 -7.048 -3.307 292 HB3 GLN 49 HB3 GLN 49 7.302 -6.328 -4.470 293 HG2 GLN 49 HG2 GLN 49 8.740 -7.521 -5.834 294 HG3 GLN 49 HG3 GLN 49 9.310 -5.863 -5.972 295 HE21 GLN 49 HE21 GLN 49 11.545 -5.910 -6.097 296 HE22 GLN 49 HE22 GLN 49 12.593 -6.962 -5.181 297 H MET 50 H MET 50 8.873 -3.054 -1.819 298 HA MET 50 HA MET 50 6.608 -3.934 -0.107 299 HB2 MET 50 HB2 MET 50 8.742 -4.240 0.937 300 HB3 MET 50 HB3 MET 50 9.224 -2.577 0.621 301 HG2 MET 50 HG2 MET 50 7.786 -1.681 2.226 302 HG3 MET 50 HG3 MET 50 6.706 -3.072 2.206 303 HE1 MET 50 HE1 MET 50 8.391 -5.591 2.627 304 HE2 MET 50 HE2 MET 50 8.227 -5.710 4.395 305 HE3 MET 50 HE3 MET 50 6.847 -5.148 3.416 306 H VAL 51 H VAL 51 5.139 -2.453 0.707 307 HA VAL 51 HA VAL 51 5.429 0.392 -0.125 308 HB VAL 51 HB VAL 51 2.775 -1.111 -0.237 309 HG11 VAL 51 HG11 VAL 51 2.268 0.934 -1.679 310 HG12 VAL 51 HG12 VAL 51 2.642 1.348 0.010 311 HG13 VAL 51 HG13 VAL 51 3.878 1.557 -1.251 312 HG21 VAL 51 HG21 VAL 51 4.232 -2.062 -1.985 313 HG22 VAL 51 HG22 VAL 51 2.988 -1.030 -2.694 314 HG23 VAL 51 HG23 VAL 51 4.657 -0.433 -2.535 315 H LEU 52 H LEU 52 5.459 1.682 1.519 316 HA LEU 52 HA LEU 52 4.061 1.091 4.055 317 HB2 LEU 52 HB2 LEU 52 5.689 3.512 3.169 318 HB3 LEU 52 HB3 LEU 52 4.896 3.327 4.709 319 HG LEU 52 HG LEU 52 6.406 1.182 4.971 320 HD11 LEU 52 HD11 LEU 52 7.382 1.089 2.719 321 HD12 LEU 52 HD12 LEU 52 8.624 1.372 3.936 322 HD13 LEU 52 HD13 LEU 52 8.045 2.722 2.939 323 HD21 LEU 52 HD21 LEU 52 8.192 2.570 5.953 324 HD22 LEU 52 HD22 LEU 52 6.598 3.264 6.311 325 HD23 LEU 52 HD23 LEU 52 7.601 3.982 5.044 326 H VAL 53 H VAL 53 2.208 1.910 4.565 327 HA VAL 53 HA VAL 53 0.908 4.069 2.987 328 HB VAL 53 HB VAL 53 -0.479 1.531 3.946 329 HG11 VAL 53 HG11 VAL 53 -2.397 2.427 2.659 330 HG12 VAL 53 HG12 VAL 53 -1.906 3.587 3.898 331 HG13 VAL 53 HG13 VAL 53 -1.445 3.858 2.206 332 HG21 VAL 53 HG21 VAL 53 -0.812 1.040 1.514 333 HG22 VAL 53 HG22 VAL 53 0.348 2.338 1.137 334 HG23 VAL 53 HG23 VAL 53 0.866 0.901 2.041 335 H HIS 54 H HIS 54 0.837 5.665 4.382 336 HA HIS 54 HA HIS 54 0.635 5.258 7.308 337 HB2 HIS 54 HB2 HIS 54 1.049 7.754 5.616 338 HB3 HIS 54 HB3 HIS 54 1.167 7.664 7.359 339 HD1 HIS 54 HD1 HIS 54 3.570 7.331 8.243 340 HD2 HIS 54 HD2 HIS 54 3.028 6.106 4.259 341 HE1 HIS 54 HE1 HIS 54 5.857 6.602 7.395 342 H THR 55 H THR 55 -1.509 4.777 7.841 343 HA THR 55 HA THR 55 -3.642 6.649 6.993 344 HB THR 55 HB THR 55 -3.453 5.081 5.132 345 HG1 THR 55 HG1 THR 55 -5.529 5.785 5.858 346 HG21 THR 55 HG21 THR 55 -4.117 2.833 7.091 347 HG22 THR 55 HG22 THR 55 -2.541 3.070 6.309 348 HG23 THR 55 HG23 THR 55 -3.969 2.704 5.329 349 H THR 56 H THR 56 -5.733 6.335 8.028 350 HA THR 56 HA THR 56 -5.583 5.036 10.686 351 HB THR 56 HB THR 56 -7.547 6.101 11.318 352 HG1 THR 56 HG1 THR 56 -8.872 7.141 9.617 353 HG21 THR 56 HG21 THR 56 -7.390 8.400 10.791 354 HG22 THR 56 HG22 THR 56 -6.529 8.089 9.271 355 HG23 THR 56 HG23 THR 56 -5.747 7.755 10.836 356 H LEU 57 H LEU 57 -6.379 3.992 7.553 357 HA LEU 57 HA LEU 57 -8.677 2.411 8.113 358 HB2 LEU 57 HB2 LEU 57 -6.597 2.264 5.900 359 HB3 LEU 57 HB3 LEU 57 -8.105 1.364 5.862 360 HG LEU 57 HG LEU 57 -7.879 4.420 5.919 361 HD11 LEU 57 HD11 LEU 57 -8.647 4.266 3.590 362 HD12 LEU 57 HD12 LEU 57 -8.592 2.492 3.666 363 HD13 LEU 57 HD13 LEU 57 -7.092 3.445 3.808 364 HD21 LEU 57 HD21 LEU 57 -10.289 4.365 5.314 365 HD22 LEU 57 HD22 LEU 57 -10.012 3.699 6.920 366 HD23 LEU 57 HD23 LEU 57 -10.310 2.603 5.550 367 HA PRO 58 HA PRO 58 -6.795 -1.220 9.886 368 HB2 PRO 58 HB2 PRO 58 -9.043 -2.908 8.981 369 HB3 PRO 58 HB3 PRO 58 -8.652 -2.396 10.642 370 HG2 PRO 58 HG2 PRO 58 -10.847 -1.439 9.309 371 HG3 PRO 58 HG3 PRO 58 -9.897 -0.390 10.415 372 HD2 PRO 58 HD2 PRO 58 -9.572 -0.679 7.401 373 HD3 PRO 58 HD3 PRO 58 -9.883 0.799 8.308 374 H SER 59 H SER 59 -5.456 -2.956 9.167 375 HA SER 59 HA SER 59 -4.819 -3.049 6.421 376 HB2 SER 59 HB2 SER 59 -3.773 -5.400 7.245 377 HB3 SER 59 HB3 SER 59 -2.999 -3.827 7.447 378 HG SER 59 HG SER 59 -3.678 -5.546 9.311 379 H GLN 60 H GLN 60 -7.338 -4.892 8.039 380 HA GLN 60 HA GLN 60 -7.760 -6.871 6.002 381 HB2 GLN 60 HB2 GLN 60 -9.783 -5.449 7.792 382 HB3 GLN 60 HB3 GLN 60 -10.125 -6.847 6.772 383 HG2 GLN 60 HG2 GLN 60 -8.318 -8.100 8.077 384 HG3 GLN 60 HG3 GLN 60 -8.372 -6.771 9.254 385 HE21 GLN 60 HE21 GLN 60 -11.031 -6.371 9.709 386 HE22 GLN 60 HE22 GLN 60 -11.791 -7.950 9.930 387 H GLU 61 H GLU 61 -8.580 -3.355 5.985 388 HA GLU 61 HA GLU 61 -10.068 -3.665 3.429 389 HB2 GLU 61 HB2 GLU 61 -9.247 -1.149 4.841 390 HB3 GLU 61 HB3 GLU 61 -10.296 -1.319 3.419 391 HG2 GLU 61 HG2 GLU 61 -10.723 -2.308 6.209 392 HG3 GLU 61 HG3 GLU 61 -11.649 -1.097 5.282 393 H VAL 62 H VAL 62 -6.938 -2.298 4.645 394 HA VAL 62 HA VAL 62 -6.233 -1.243 2.138 395 HB VAL 62 HB VAL 62 -4.194 -2.119 4.200 396 HG11 VAL 62 HG11 VAL 62 -3.411 -1.119 2.044 397 HG12 VAL 62 HG12 VAL 62 -4.403 0.312 2.375 398 HG13 VAL 62 HG13 VAL 62 -3.026 -0.088 3.430 399 HG21 VAL 62 HG21 VAL 62 -6.029 0.290 4.385 400 HG22 VAL 62 HG22 VAL 62 -5.766 -0.996 5.581 401 HG23 VAL 62 HG23 VAL 62 -4.483 0.140 5.266 402 H GLN 63 H GLN 63 -5.586 -4.483 3.518 403 HA GLN 63 HA GLN 63 -4.022 -5.606 1.411 404 HB2 GLN 63 HB2 GLN 63 -4.460 -6.740 3.555 405 HB3 GLN 63 HB3 GLN 63 -6.172 -6.815 3.196 406 HG2 GLN 63 HG2 GLN 63 -5.688 -8.270 1.220 407 HG3 GLN 63 HG3 GLN 63 -3.961 -8.212 1.628 408 HE21 GLN 63 HE21 GLN 63 -4.926 -10.652 1.393 409 HE22 GLN 63 HE22 GLN 63 -5.329 -11.410 2.937 410 H ALA 64 H ALA 64 -7.584 -5.126 1.626 411 HA ALA 64 HA ALA 64 -8.034 -6.554 -0.857 412 HB1 ALA 64 HB1 ALA 64 -10.394 -5.683 -0.462 413 HB2 ALA 64 HB2 ALA 64 -9.740 -6.529 0.947 414 HB3 ALA 64 HB3 ALA 64 -9.817 -4.758 0.929 415 H LEU 65 H LEU 65 -7.626 -3.196 0.160 416 HA LEU 65 HA LEU 65 -8.451 -1.915 -2.238 417 HB2 LEU 65 HB2 LEU 65 -6.825 -1.082 0.137 418 HB3 LEU 65 HB3 LEU 65 -7.104 0.008 -1.199 419 HG LEU 65 HG LEU 65 -9.437 -1.396 0.188 420 HD11 LEU 65 HD11 LEU 65 -8.222 1.285 0.935 421 HD12 LEU 65 HD12 LEU 65 -8.239 -0.191 1.939 422 HD13 LEU 65 HD13 LEU 65 -9.755 0.614 1.553 423 HD21 LEU 65 HD21 LEU 65 -10.723 0.521 -0.654 424 HD22 LEU 65 HD22 LEU 65 -9.931 -0.327 -1.984 425 HD23 LEU 65 HD23 LEU 65 -9.257 1.203 -1.387 426 H LEU 66 H LEU 66 -5.283 -2.846 -0.997 427 HA LEU 66 HA LEU 66 -3.647 -2.222 -3.271 428 HB2 LEU 66 HB2 LEU 66 -3.441 -4.266 -1.019 429 HB3 LEU 66 HB3 LEU 66 -2.155 -4.007 -2.187 430 HG LEU 66 HG LEU 66 -3.199 -1.649 -0.581 431 HD11 LEU 66 HD11 LEU 66 -1.109 -3.662 0.345 432 HD12 LEU 66 HD12 LEU 66 -2.669 -3.327 1.133 433 HD13 LEU 66 HD13 LEU 66 -1.438 -2.080 1.095 434 HD21 LEU 66 HD21 LEU 66 -0.887 -0.855 -0.904 435 HD22 LEU 66 HD22 LEU 66 -1.661 -1.210 -2.459 436 HD23 LEU 66 HD23 LEU 66 -0.482 -2.348 -1.771 437 H GLU 67 H GLU 67 -5.294 -5.308 -2.350 438 HA GLU 67 HA GLU 67 -4.650 -6.838 -4.645 439 HB2 GLU 67 HB2 GLU 67 -6.861 -6.769 -2.611 440 HB3 GLU 67 HB3 GLU 67 -7.068 -7.862 -3.909 441 HG2 GLU 67 HG2 GLU 67 -4.529 -7.818 -2.222 442 HG3 GLU 67 HG3 GLU 67 -5.971 -8.698 -1.730 443 H GLY 68 H GLY 68 -6.982 -4.212 -4.417 444 HA2 GLY 68 HA2 GLY 68 -8.501 -4.731 -6.781 445 HA3 GLY 68 HA3 GLY 68 -8.243 -3.161 -6.014 446 H THR 69 H THR 69 -5.184 -3.737 -6.491 447 HA THR 69 HA THR 69 -4.970 -2.357 -9.065 448 HB THR 69 HB THR 69 -2.571 -2.230 -8.606 449 HG1 THR 69 HG1 THR 69 -3.077 -3.687 -6.238 450 HG21 THR 69 HG21 THR 69 -4.169 -0.671 -7.577 451 HG22 THR 69 HG22 THR 69 -2.692 -0.885 -6.642 452 HG23 THR 69 HG23 THR 69 -4.190 -1.656 -6.098 453 H GLY 70 H GLY 70 -5.517 -5.542 -8.436 454 HA2 GLY 70 HA2 GLY 70 -5.572 -7.322 -9.915 455 HA3 GLY 70 HA3 GLY 70 -4.611 -6.407 -11.092 456 H ARG 71 H ARG 71 -3.436 -6.640 -7.858 457 HA ARG 71 HA ARG 71 -1.243 -8.538 -8.564 458 HB2 ARG 71 HB2 ARG 71 -1.162 -5.826 -7.154 459 HB3 ARG 71 HB3 ARG 71 0.227 -6.885 -7.354 460 HG2 ARG 71 HG2 ARG 71 0.239 -6.574 -9.752 461 HG3 ARG 71 HG3 ARG 71 -1.323 -5.748 -9.724 462 HD2 ARG 71 HD2 ARG 71 -0.364 -3.955 -8.303 463 HD3 ARG 71 HD3 ARG 71 1.222 -4.680 -8.464 464 HE ARG 71 HE ARG 71 -0.300 -3.188 -10.502 465 HH11 ARG 71 HH11 ARG 71 2.293 -5.557 -10.231 466 HH12 ARG 71 HH12 ARG 71 2.885 -5.157 -11.832 467 HH21 ARG 71 HH21 ARG 71 0.404 -2.812 -12.377 468 HH22 ARG 71 HH22 ARG 71 1.738 -3.684 -13.111 469 H GLN 72 H GLN 72 -0.538 -9.782 -6.816 470 HA GLN 72 HA GLN 72 -2.216 -10.071 -4.536 471 HB2 GLN 72 HB2 GLN 72 -0.778 -11.851 -5.377 472 HB3 GLN 72 HB3 GLN 72 0.672 -10.962 -4.869 473 HG2 GLN 72 HG2 GLN 72 0.030 -11.109 -2.541 474 HG3 GLN 72 HG3 GLN 72 -1.553 -11.774 -2.960 475 HE21 GLN 72 HE21 GLN 72 -0.534 -13.152 -1.164 476 HE22 GLN 72 HE22 GLN 72 0.235 -14.628 -1.743 477 H ALA 73 H ALA 73 -2.065 -9.427 -2.567 478 HA ALA 73 HA ALA 73 0.180 -7.687 -1.565 479 HB1 ALA 73 HB1 ALA 73 -1.418 -6.374 -0.297 480 HB2 ALA 73 HB2 ALA 73 -1.911 -6.356 -2.012 481 HB3 ALA 73 HB3 ALA 73 -2.761 -7.399 -0.847 482 H VAL 74 H VAL 74 1.058 -8.330 0.259 483 HA VAL 74 HA VAL 74 -0.388 -10.050 2.231 484 HB VAL 74 HB VAL 74 2.422 -10.469 1.124 485 HG11 VAL 74 HG11 VAL 74 2.517 -10.829 3.557 486 HG12 VAL 74 HG12 VAL 74 1.046 -11.835 3.492 487 HG13 VAL 74 HG13 VAL 74 2.553 -12.380 2.726 488 HG21 VAL 74 HG21 VAL 74 1.547 -12.769 0.660 489 HG22 VAL 74 HG22 VAL 74 -0.066 -12.212 1.190 490 HG23 VAL 74 HG23 VAL 74 0.718 -11.504 -0.249 491 H LEU 75 H LEU 75 -0.180 -9.171 4.278 492 HA LEU 75 HA LEU 75 1.482 -6.778 4.557 493 HB2 LEU 75 HB2 LEU 75 -0.794 -6.950 5.338 494 HB3 LEU 75 HB3 LEU 75 -0.364 -8.164 6.484 495 HG LEU 75 HG LEU 75 0.804 -6.602 7.905 496 HD11 LEU 75 HD11 LEU 75 2.268 -5.270 6.643 497 HD12 LEU 75 HD12 LEU 75 1.019 -4.106 6.980 498 HD13 LEU 75 HD13 LEU 75 1.035 -4.897 5.404 499 HD21 LEU 75 HD21 LEU 75 -0.727 -4.733 8.046 500 HD22 LEU 75 HD22 LEU 75 -1.641 -6.195 7.539 501 HD23 LEU 75 HD23 LEU 75 -1.116 -4.993 6.297 502 H LYS 76 H LYS 76 3.212 -6.483 5.739 503 HA LYS 76 HA LYS 76 4.627 -8.912 6.772 504 HB2 LYS 76 HB2 LYS 76 5.841 -6.323 5.764 505 HB3 LYS 76 HB3 LYS 76 6.698 -7.711 6.375 506 HG2 LYS 76 HG2 LYS 76 4.961 -7.701 3.879 507 HG3 LYS 76 HG3 LYS 76 6.713 -7.602 3.900 508 HD2 LYS 76 HD2 LYS 76 5.148 -9.995 4.946 509 HD3 LYS 76 HD3 LYS 76 5.816 -9.856 3.326 510 HE2 LYS 76 HE2 LYS 76 8.082 -9.708 4.153 511 HE3 LYS 76 HE3 LYS 76 7.539 -9.649 5.836 512 HZ1 LYS 76 HZ1 LYS 76 6.934 -11.892 5.767 513 HZ2 LYS 76 HZ2 LYS 76 8.283 -11.911 4.819 514 HZ3 LYS 76 HZ3 LYS 76 6.774 -11.939 4.155 515 H GLY 77 H GLY 77 3.704 -5.623 7.671 516 HA2 GLY 77 HA2 GLY 77 2.660 -6.336 10.019 517 HA3 GLY 77 HA3 GLY 77 4.351 -6.039 10.491 518 H MET 78 H MET 78 3.491 -4.349 11.826 519 HA MET 78 HA MET 78 2.609 -1.879 10.460 520 HB2 MET 78 HB2 MET 78 2.496 -2.768 13.368 521 HB3 MET 78 HB3 MET 78 2.148 -1.141 12.791 522 HG2 MET 78 HG2 MET 78 0.009 -2.028 12.757 523 HG3 MET 78 HG3 MET 78 0.524 -2.311 11.110 524 HE1 MET 78 HE1 MET 78 -1.729 -5.355 11.561 525 HE2 MET 78 HE2 MET 78 -1.976 -3.681 12.107 526 HE3 MET 78 HE3 MET 78 -1.223 -3.999 10.525 527 H GLY 79 H GLY 79 3.698 0.015 10.739 528 HA2 GLY 79 HA2 GLY 79 6.491 -0.320 10.393 529 HA3 GLY 79 HA3 GLY 79 5.640 1.213 10.369 Start of MODEL 12 1 H GLY 9 H GLY 9 -8.562 2.264 14.857 2 HA2 GLY 9 HA2 GLY 9 -9.105 3.472 12.970 3 HA3 GLY 9 HA3 GLY 9 -10.494 4.233 13.777 4 H THR 10 H THR 10 -7.052 3.968 14.599 5 HA THR 10 HA THR 10 -6.626 6.860 14.192 6 HB THR 10 HB THR 10 -6.895 6.519 16.575 7 HG1 THR 10 HG1 THR 10 -4.192 7.090 16.297 8 HG21 THR 10 HG21 THR 10 -5.148 5.462 17.917 9 HG22 THR 10 HG22 THR 10 -4.336 4.882 16.442 10 HG23 THR 10 HG23 THR 10 -5.949 4.271 16.885 11 H LEU 11 H LEU 11 -4.356 7.405 13.876 12 HA LEU 11 HA LEU 11 -3.755 5.916 11.543 13 HB2 LEU 11 HB2 LEU 11 -3.437 8.524 12.124 14 HB3 LEU 11 HB3 LEU 11 -1.802 8.005 12.478 15 HG LEU 11 HG LEU 11 -2.213 6.707 10.086 16 HD11 LEU 11 HD11 LEU 11 -3.742 9.315 9.934 17 HD12 LEU 11 HD12 LEU 11 -4.433 7.696 9.778 18 HD13 LEU 11 HD13 LEU 11 -3.300 8.307 8.547 19 HD21 LEU 11 HD21 LEU 11 -0.265 8.070 10.506 20 HD22 LEU 11 HD22 LEU 11 -1.233 9.550 10.290 21 HD23 LEU 11 HD23 LEU 11 -1.017 8.407 8.931 22 H CYS 12 H CYS 12 -2.141 4.667 10.924 23 HA CYS 12 HA CYS 12 0.365 4.492 12.404 24 HB2 CYS 12 HB2 CYS 12 -1.340 2.635 13.243 25 HB3 CYS 12 HB3 CYS 12 -0.913 1.865 11.692 26 HG CYS 12 HG CYS 12 1.094 2.837 14.176 27 H THR 13 H THR 13 1.986 3.367 11.172 28 HA THR 13 HA THR 13 1.728 3.530 8.186 29 HB THR 13 HB THR 13 4.047 2.823 10.010 30 HG1 THR 13 HG1 THR 13 3.356 5.048 10.060 31 HG21 THR 13 HG21 THR 13 4.305 1.864 7.707 32 HG22 THR 13 HG22 THR 13 5.450 3.176 7.994 33 HG23 THR 13 HG23 THR 13 3.997 3.476 7.019 34 H LEU 14 H LEU 14 0.755 1.773 7.317 35 HA LEU 14 HA LEU 14 1.355 -0.977 8.341 36 HB2 LEU 14 HB2 LEU 14 -0.654 0.222 6.439 37 HB3 LEU 14 HB3 LEU 14 -0.202 -1.475 6.322 38 HG LEU 14 HG LEU 14 -1.108 -2.071 8.372 39 HD11 LEU 14 HD11 LEU 14 -0.305 -0.325 9.856 40 HD12 LEU 14 HD12 LEU 14 -2.036 -0.580 10.054 41 HD13 LEU 14 HD13 LEU 14 -1.451 0.841 9.148 42 HD21 LEU 14 HD21 LEU 14 -3.441 -1.280 8.279 43 HD22 LEU 14 HD22 LEU 14 -2.824 -1.550 6.642 44 HD23 LEU 14 HD23 LEU 14 -2.955 0.100 7.282 45 H GLU 15 H GLU 15 2.933 -2.168 7.470 46 HA GLU 15 HA GLU 15 4.380 -1.144 5.060 47 HB2 GLU 15 HB2 GLU 15 5.358 -2.771 7.449 48 HB3 GLU 15 HB3 GLU 15 6.317 -2.355 6.027 49 HG2 GLU 15 HG2 GLU 15 5.819 0.076 6.510 50 HG3 GLU 15 HG3 GLU 15 5.140 -0.427 8.058 51 H PHE 16 H PHE 16 3.253 -2.176 3.434 52 HA PHE 16 HA PHE 16 2.721 -5.112 3.660 53 HB2 PHE 16 HB2 PHE 16 1.717 -2.959 1.753 54 HB3 PHE 16 HB3 PHE 16 1.437 -4.675 1.525 55 HD1 PHE 16 HD2 PHE 16 0.495 -1.835 3.663 56 HD2 PHE 16 HD1 PHE 16 -0.151 -5.967 2.596 57 HE1 PHE 16 HE2 PHE 16 -1.756 -1.755 4.699 58 HE2 PHE 16 HE1 PHE 16 -2.382 -5.894 3.671 59 HZ PHE 16 HZ PHE 16 -3.212 -3.792 4.681 60 H ALA 17 H ALA 17 3.300 -6.575 2.211 61 HA ALA 17 HA ALA 17 5.365 -5.928 0.146 62 HB1 ALA 17 HB1 ALA 17 4.393 -8.594 1.233 63 HB2 ALA 17 HB2 ALA 17 5.669 -8.363 0.013 64 HB3 ALA 17 HB3 ALA 17 5.905 -7.756 1.664 65 H VAL 18 H VAL 18 4.958 -6.248 -2.043 66 HA VAL 18 HA VAL 18 2.290 -7.242 -2.932 67 HB VAL 18 HB VAL 18 2.265 -5.273 -4.602 68 HG11 VAL 18 HG11 VAL 18 1.882 -4.540 -1.662 69 HG12 VAL 18 HG12 VAL 18 1.181 -3.715 -3.062 70 HG13 VAL 18 HG13 VAL 18 0.685 -5.371 -2.685 71 HG21 VAL 18 HG21 VAL 18 3.377 -3.274 -4.002 72 HG22 VAL 18 HG22 VAL 18 4.156 -4.061 -2.608 73 HG23 VAL 18 HG23 VAL 18 4.571 -4.575 -4.246 74 H GLN 19 H GLN 19 2.184 -7.981 -5.122 75 HA GLN 19 HA GLN 19 4.818 -8.891 -6.120 76 HB2 GLN 19 HB2 GLN 19 2.784 -10.344 -5.814 77 HB3 GLN 19 HB3 GLN 19 2.041 -9.517 -7.181 78 HG2 GLN 19 HG2 GLN 19 3.939 -10.284 -8.626 79 HG3 GLN 19 HG3 GLN 19 4.664 -11.083 -7.229 80 HE21 GLN 19 HE21 GLN 19 4.544 -13.049 -8.687 81 HE22 GLN 19 HE22 GLN 19 3.016 -13.890 -8.800 82 H MET 20 H MET 20 5.761 -6.861 -6.891 83 HA MET 20 HA MET 20 5.090 -6.480 -9.744 84 HB2 MET 20 HB2 MET 20 5.335 -4.008 -9.514 85 HB3 MET 20 HB3 MET 20 3.843 -4.683 -8.847 86 HG2 MET 20 HG2 MET 20 4.812 -4.516 -6.570 87 HG3 MET 20 HG3 MET 20 6.286 -3.811 -7.260 88 HE1 MET 20 HE1 MET 20 4.214 -1.214 -5.146 89 HE2 MET 20 HE2 MET 20 5.265 -2.681 -5.082 90 HE3 MET 20 HE3 MET 20 5.892 -1.148 -5.729 91 H THR 21 H THR 21 6.763 -5.772 -11.058 92 HA THR 21 HA THR 21 9.512 -5.865 -9.855 93 HB THR 21 HB THR 21 10.180 -7.310 -11.693 94 HG1 THR 21 HG1 THR 21 7.421 -7.273 -12.400 95 HG21 THR 21 HG21 THR 21 9.327 -8.403 -9.635 96 HG22 THR 21 HG22 THR 21 9.049 -9.357 -11.102 97 HG23 THR 21 HG23 THR 21 7.703 -8.469 -10.359 98 H CYS 22 H CYS 22 7.592 -3.971 -11.976 99 HA CYS 22 HA CYS 22 9.949 -2.445 -12.795 100 HB2 CYS 22 HB2 CYS 22 9.280 -2.478 -15.166 101 HB3 CYS 22 HB3 CYS 22 9.847 -3.996 -14.546 102 H GLN 23 H GLN 23 9.403 -0.384 -13.828 103 HA GLN 23 HA GLN 23 8.023 1.048 -11.905 104 HB2 GLN 23 HB2 GLN 23 9.458 1.760 -14.401 105 HB3 GLN 23 HB3 GLN 23 8.469 3.011 -13.663 106 HG2 GLN 23 HG2 GLN 23 10.541 1.399 -12.117 107 HG3 GLN 23 HG3 GLN 23 10.874 2.949 -12.875 108 HE21 GLN 23 HE21 GLN 23 11.089 2.349 -9.998 109 HE22 GLN 23 HE22 GLN 23 9.929 3.441 -9.225 110 H SER 24 H SER 24 6.360 -0.141 -14.725 111 HA SER 24 HA SER 24 4.248 1.905 -14.565 112 HB2 SER 24 HB2 SER 24 3.043 0.575 -16.179 113 HB3 SER 24 HB3 SER 24 4.717 0.801 -16.707 114 HG SER 24 HG SER 24 5.195 -1.279 -16.064 115 H CYS 25 H CYS 25 4.851 -1.101 -12.856 116 HA CYS 25 HA CYS 25 2.117 -1.473 -11.962 117 HB2 CYS 25 HB2 CYS 25 4.833 -2.353 -10.886 118 HB3 CYS 25 HB3 CYS 25 3.274 -2.930 -10.328 119 H VAL 26 H VAL 26 5.038 -0.090 -10.611 120 HA VAL 26 HA VAL 26 4.377 0.750 -8.059 121 HB VAL 26 HB VAL 26 6.198 2.427 -9.817 122 HG11 VAL 26 HG11 VAL 26 7.783 1.939 -7.808 123 HG12 VAL 26 HG12 VAL 26 6.363 2.936 -7.477 124 HG13 VAL 26 HG13 VAL 26 6.397 1.195 -7.027 125 HG21 VAL 26 HG21 VAL 26 7.941 0.756 -9.623 126 HG22 VAL 26 HG22 VAL 26 6.726 -0.411 -8.981 127 HG23 VAL 26 HG23 VAL 26 6.620 0.225 -10.638 128 H ASP 27 H ASP 27 4.268 2.850 -10.995 129 HA ASP 27 HA ASP 27 2.973 5.082 -9.814 130 HB2 ASP 27 HB2 ASP 27 4.035 4.613 -12.201 131 HB3 ASP 27 HB3 ASP 27 2.398 4.141 -12.614 132 H ALA 28 H ALA 28 1.672 2.021 -10.953 133 HA ALA 28 HA ALA 28 -1.121 2.967 -10.954 134 HB1 ALA 28 HB1 ALA 28 -0.327 1.323 -12.585 135 HB2 ALA 28 HB2 ALA 28 -0.080 0.144 -11.279 136 HB3 ALA 28 HB3 ALA 28 -1.708 0.751 -11.625 137 H VAL 29 H VAL 29 0.859 0.834 -8.715 138 HA VAL 29 HA VAL 29 -1.352 0.528 -6.967 139 HB VAL 29 HB VAL 29 1.549 0.342 -6.100 140 HG11 VAL 29 HG11 VAL 29 0.592 -1.363 -4.597 141 HG12 VAL 29 HG12 VAL 29 -0.373 0.117 -4.439 142 HG13 VAL 29 HG13 VAL 29 -0.972 -1.237 -5.440 143 HG21 VAL 29 HG21 VAL 29 1.591 -1.098 -7.985 144 HG22 VAL 29 HG22 VAL 29 1.212 -2.173 -6.667 145 HG23 VAL 29 HG23 VAL 29 -0.092 -1.605 -7.745 146 H ARG 30 H ARG 30 1.255 2.957 -7.122 147 HA ARG 30 HA ARG 30 0.683 4.387 -4.704 148 HB2 ARG 30 HB2 ARG 30 1.634 5.235 -7.521 149 HB3 ARG 30 HB3 ARG 30 1.572 6.371 -6.168 150 HG2 ARG 30 HG2 ARG 30 3.254 5.147 -4.935 151 HG3 ARG 30 HG3 ARG 30 3.198 3.808 -6.045 152 HD2 ARG 30 HD2 ARG 30 5.043 4.826 -6.975 153 HD3 ARG 30 HD3 ARG 30 3.823 5.749 -7.843 154 HE ARG 30 HE ARG 30 4.142 7.142 -5.464 155 HH11 ARG 30 HH11 ARG 30 6.405 6.442 -8.102 156 HH12 ARG 30 HH12 ARG 30 7.321 7.883 -7.728 157 HH21 ARG 30 HH21 ARG 30 5.412 8.790 -5.020 158 HH22 ARG 30 HH22 ARG 30 6.876 9.080 -5.933 159 H LYS 31 H LYS 31 -0.859 4.609 -7.936 160 HA LYS 31 HA LYS 31 -2.426 6.883 -7.055 161 HB2 LYS 31 HB2 LYS 31 -2.253 5.427 -9.672 162 HB3 LYS 31 HB3 LYS 31 -3.398 6.766 -9.365 163 HG2 LYS 31 HG2 LYS 31 -1.601 8.212 -8.567 164 HG3 LYS 31 HG3 LYS 31 -0.415 6.912 -8.735 165 HD2 LYS 31 HD2 LYS 31 -0.609 7.003 -11.166 166 HD3 LYS 31 HD3 LYS 31 -1.823 8.316 -11.044 167 HE2 LYS 31 HE2 LYS 31 -0.270 9.760 -9.924 168 HE3 LYS 31 HE3 LYS 31 0.797 8.425 -9.534 169 HZ1 LYS 31 HZ1 LYS 31 1.349 8.225 -11.924 170 HZ2 LYS 31 HZ2 LYS 31 1.755 9.701 -11.311 171 HZ3 LYS 31 HZ3 LYS 31 0.445 9.570 -12.266 172 H SER 32 H SER 32 -3.082 3.456 -6.966 173 HA SER 32 HA SER 32 -5.907 3.636 -6.407 174 HB2 SER 32 HB2 SER 32 -4.680 1.508 -6.826 175 HB3 SER 32 HB3 SER 32 -3.848 1.707 -5.265 176 HG SER 32 HG SER 32 -5.574 0.432 -4.818 177 H LEU 33 H LEU 33 -3.087 4.541 -4.490 178 HA LEU 33 HA LEU 33 -4.629 4.786 -1.964 179 HB2 LEU 33 HB2 LEU 33 -1.732 5.517 -2.385 180 HB3 LEU 33 HB3 LEU 33 -2.547 4.997 -0.913 181 HG LEU 33 HG LEU 33 -2.074 3.087 -3.212 182 HD11 LEU 33 HD11 LEU 33 0.106 4.109 -2.572 183 HD12 LEU 33 HD12 LEU 33 -0.004 2.383 -2.204 184 HD13 LEU 33 HD13 LEU 33 -0.166 3.583 -0.905 185 HD21 LEU 33 HD21 LEU 33 -3.614 2.384 -1.420 186 HD22 LEU 33 HD22 LEU 33 -2.301 2.626 -0.225 187 HD23 LEU 33 HD23 LEU 33 -2.134 1.414 -1.519 188 H GLN 34 H GLN 34 -3.228 6.861 -4.464 189 HA GLN 34 HA GLN 34 -2.689 9.050 -2.776 190 HB2 GLN 34 HB2 GLN 34 -1.358 8.409 -4.661 191 HB3 GLN 34 HB3 GLN 34 -2.729 8.613 -5.761 192 HG2 GLN 34 HG2 GLN 34 -2.688 10.932 -5.553 193 HG3 GLN 34 HG3 GLN 34 -1.553 10.927 -4.184 194 HE21 GLN 34 HE21 GLN 34 0.682 10.163 -4.726 195 HE22 GLN 34 HE22 GLN 34 1.178 10.213 -6.418 196 H GLY 35 H GLY 35 -3.936 10.535 -2.004 197 HA2 GLY 35 HA2 GLY 35 -5.597 12.128 -1.829 198 HA3 GLY 35 HA3 GLY 35 -6.199 11.713 -3.436 199 H VAL 36 H VAL 36 -5.863 9.116 -1.019 200 HA VAL 36 HA VAL 36 -8.803 8.768 -0.975 201 HB VAL 36 HB VAL 36 -6.533 6.983 -0.035 202 HG11 VAL 36 HG11 VAL 36 -9.540 6.462 -0.008 203 HG12 VAL 36 HG12 VAL 36 -8.280 5.258 0.308 204 HG13 VAL 36 HG13 VAL 36 -8.491 6.609 1.422 205 HG21 VAL 36 HG21 VAL 36 -6.829 7.094 -2.512 206 HG22 VAL 36 HG22 VAL 36 -7.303 5.518 -1.870 207 HG23 VAL 36 HG23 VAL 36 -8.548 6.702 -2.318 208 H ALA 37 H ALA 37 -9.972 9.431 0.635 209 HA ALA 37 HA ALA 37 -8.902 10.912 2.858 210 HB1 ALA 37 HB1 ALA 37 -11.249 11.108 3.543 211 HB2 ALA 37 HB2 ALA 37 -11.056 11.406 1.804 212 HB3 ALA 37 HB3 ALA 37 -11.718 9.857 2.372 213 H GLY 38 H GLY 38 -8.175 10.245 4.720 214 HA2 GLY 38 HA2 GLY 38 -8.231 8.932 6.760 215 HA3 GLY 38 HA3 GLY 38 -8.875 7.559 5.856 216 H VAL 39 H VAL 39 -6.683 8.535 3.688 217 HA VAL 39 HA VAL 39 -4.257 7.364 4.961 218 HB VAL 39 HB VAL 39 -4.792 8.137 2.073 219 HG11 VAL 39 HG11 VAL 39 -2.465 6.648 3.372 220 HG12 VAL 39 HG12 VAL 39 -2.735 6.822 1.624 221 HG13 VAL 39 HG13 VAL 39 -2.404 8.252 2.601 222 HG21 VAL 39 HG21 VAL 39 -6.142 6.156 2.671 223 HG22 VAL 39 HG22 VAL 39 -4.811 5.705 1.609 224 HG23 VAL 39 HG23 VAL 39 -4.704 5.364 3.350 225 H GLN 40 H GLN 40 -2.604 8.698 5.502 226 HA GLN 40 HA GLN 40 -2.901 11.646 5.072 227 HB2 GLN 40 HB2 GLN 40 -1.672 9.923 7.264 228 HB3 GLN 40 HB3 GLN 40 -1.273 11.610 7.065 229 HG2 GLN 40 HG2 GLN 40 -3.888 11.977 7.004 230 HG3 GLN 40 HG3 GLN 40 -3.949 10.371 7.723 231 HE21 GLN 40 HE21 GLN 40 -5.090 12.441 9.077 232 HE22 GLN 40 HE22 GLN 40 -4.081 13.003 10.387 233 H ASP 41 H ASP 41 -0.673 8.957 4.775 234 HA ASP 41 HA ASP 41 0.673 10.282 2.575 235 HB2 ASP 41 HB2 ASP 41 2.118 9.796 5.178 236 HB3 ASP 41 HB3 ASP 41 2.990 9.518 3.713 237 H VAL 42 H VAL 42 2.294 8.842 1.617 238 HA VAL 42 HA VAL 42 2.142 5.968 2.089 239 HB VAL 42 HB VAL 42 1.661 5.394 -0.193 240 HG11 VAL 42 HG11 VAL 42 -0.709 5.769 -0.213 241 HG12 VAL 42 HG12 VAL 42 -0.191 5.504 1.456 242 HG13 VAL 42 HG13 VAL 42 -0.568 7.147 0.873 243 HG21 VAL 42 HG21 VAL 42 0.967 8.299 -0.730 244 HG22 VAL 42 HG22 VAL 42 2.313 7.386 -1.453 245 HG23 VAL 42 HG23 VAL 42 0.656 6.930 -1.824 246 H GLU 43 H GLU 43 3.829 4.778 1.005 247 HA GLU 43 HA GLU 43 5.738 6.220 -0.686 248 HB2 GLU 43 HB2 GLU 43 6.353 6.761 1.695 249 HB3 GLU 43 HB3 GLU 43 6.666 5.060 1.985 250 HG2 GLU 43 HG2 GLU 43 8.441 5.054 0.348 251 HG3 GLU 43 HG3 GLU 43 8.014 6.679 -0.201 252 H VAL 44 H VAL 44 6.286 4.759 -2.325 253 HA VAL 44 HA VAL 44 6.107 1.838 -1.702 254 HB VAL 44 HB VAL 44 4.635 2.632 -3.459 255 HG11 VAL 44 HG11 VAL 44 5.418 3.200 -5.595 256 HG12 VAL 44 HG12 VAL 44 5.994 4.432 -4.459 257 HG13 VAL 44 HG13 VAL 44 7.122 3.198 -5.089 258 HG21 VAL 44 HG21 VAL 44 5.518 0.339 -3.388 259 HG22 VAL 44 HG22 VAL 44 5.130 0.924 -5.015 260 HG23 VAL 44 HG23 VAL 44 6.829 0.828 -4.487 261 H HIS 45 H HIS 45 7.791 0.529 -1.755 262 HA HIS 45 HA HIS 45 10.398 1.496 -2.826 263 HB2 HIS 45 HB2 HIS 45 9.828 -0.023 -0.252 264 HB3 HIS 45 HB3 HIS 45 11.395 -0.026 -1.032 265 HD1 HIS 45 HD1 HIS 45 12.980 1.922 -0.533 266 HD2 HIS 45 HD2 HIS 45 8.986 2.584 0.618 267 HE1 HIS 45 HE1 HIS 45 12.964 4.126 0.763 268 H LEU 46 H LEU 46 10.067 0.568 -4.792 269 HA LEU 46 HA LEU 46 9.293 -2.096 -5.411 270 HB2 LEU 46 HB2 LEU 46 9.396 -0.295 -6.884 271 HB3 LEU 46 HB3 LEU 46 11.081 -0.090 -6.791 272 HG LEU 46 HG LEU 46 11.578 -1.819 -8.263 273 HD11 LEU 46 HD11 LEU 46 9.079 -3.306 -7.314 274 HD12 LEU 46 HD12 LEU 46 10.780 -3.865 -7.353 275 HD13 LEU 46 HD13 LEU 46 9.903 -3.715 -8.830 276 HD21 LEU 46 HD21 LEU 46 9.840 -1.836 -10.005 277 HD22 LEU 46 HD22 LEU 46 9.903 -0.234 -9.242 278 HD23 LEU 46 HD23 LEU 46 8.642 -1.423 -8.743 279 H GLU 47 H GLU 47 12.398 -0.726 -4.504 280 HA GLU 47 HA GLU 47 13.873 -3.208 -4.915 281 HB2 GLU 47 HB2 GLU 47 14.753 -0.684 -3.506 282 HB3 GLU 47 HB3 GLU 47 15.789 -2.070 -3.876 283 HG2 GLU 47 HG2 GLU 47 15.275 -1.880 -6.269 284 HG3 GLU 47 HG3 GLU 47 14.221 -0.505 -5.988 285 H ASP 48 H ASP 48 11.694 -2.575 -2.472 286 HA ASP 48 HA ASP 48 12.681 -5.091 -1.186 287 HB2 ASP 48 HB2 ASP 48 12.384 -2.937 0.323 288 HB3 ASP 48 HB3 ASP 48 10.684 -3.283 0.170 289 H GLN 49 H GLN 49 10.540 -3.918 -3.433 290 HA GLN 49 HA GLN 49 8.410 -4.137 -4.127 291 HB2 GLN 49 HB2 GLN 49 8.491 -6.936 -2.936 292 HB3 GLN 49 HB3 GLN 49 7.436 -6.321 -4.197 293 HG2 GLN 49 HG2 GLN 49 9.265 -6.009 -5.740 294 HG3 GLN 49 HG3 GLN 49 10.273 -6.770 -4.509 295 HE21 GLN 49 HE21 GLN 49 8.566 -7.491 -7.292 296 HE22 GLN 49 HE22 GLN 49 8.403 -9.228 -7.010 297 H MET 50 H MET 50 8.847 -2.947 -1.525 298 HA MET 50 HA MET 50 6.453 -3.731 0.016 299 HB2 MET 50 HB2 MET 50 8.484 -3.663 1.264 300 HB3 MET 50 HB3 MET 50 8.845 -2.017 0.730 301 HG2 MET 50 HG2 MET 50 7.170 -1.060 2.055 302 HG3 MET 50 HG3 MET 50 6.309 -2.579 2.269 303 HE1 MET 50 HE1 MET 50 6.603 -4.284 3.952 304 HE2 MET 50 HE2 MET 50 8.177 -4.751 3.271 305 HE3 MET 50 HE3 MET 50 8.019 -4.472 5.018 306 H VAL 51 H VAL 51 4.887 -2.216 0.724 307 HA VAL 51 HA VAL 51 4.955 0.535 -0.373 308 HB VAL 51 HB VAL 51 2.276 -0.834 -0.100 309 HG11 VAL 51 HG11 VAL 51 3.421 1.195 -2.049 310 HG12 VAL 51 HG12 VAL 51 1.708 0.790 -1.832 311 HG13 VAL 51 HG13 VAL 51 2.586 1.629 -0.529 312 HG21 VAL 51 HG21 VAL 51 3.269 -2.439 -1.489 313 HG22 VAL 51 HG22 VAL 51 2.280 -1.402 -2.520 314 HG23 VAL 51 HG23 VAL 51 4.050 -1.215 -2.522 315 H LEU 52 H LEU 52 4.879 1.931 1.240 316 HA LEU 52 HA LEU 52 3.785 1.230 3.910 317 HB2 LEU 52 HB2 LEU 52 5.298 3.682 2.908 318 HB3 LEU 52 HB3 LEU 52 4.671 3.486 4.517 319 HG LEU 52 HG LEU 52 6.228 1.353 4.616 320 HD11 LEU 52 HD11 LEU 52 7.605 2.930 2.418 321 HD12 LEU 52 HD12 LEU 52 6.949 1.289 2.257 322 HD13 LEU 52 HD13 LEU 52 8.317 1.587 3.333 323 HD21 LEU 52 HD21 LEU 52 8.092 2.757 5.402 324 HD22 LEU 52 HD22 LEU 52 6.548 3.431 5.935 325 HD23 LEU 52 HD23 LEU 52 7.401 4.167 4.563 326 H VAL 53 H VAL 53 1.923 1.967 4.606 327 HA VAL 53 HA VAL 53 0.595 4.233 3.185 328 HB VAL 53 HB VAL 53 -0.780 1.637 3.946 329 HG11 VAL 53 HG11 VAL 53 -1.826 4.134 2.514 330 HG12 VAL 53 HG12 VAL 53 -2.755 2.661 2.847 331 HG13 VAL 53 HG13 VAL 53 -2.216 3.683 4.182 332 HG21 VAL 53 HG21 VAL 53 -0.103 2.756 1.218 333 HG22 VAL 53 HG22 VAL 53 0.501 1.251 1.937 334 HG23 VAL 53 HG23 VAL 53 -1.206 1.388 1.520 335 H HIS 54 H HIS 54 0.573 5.781 4.620 336 HA HIS 54 HA HIS 54 0.446 5.270 7.518 337 HB2 HIS 54 HB2 HIS 54 0.633 7.925 6.052 338 HB3 HIS 54 HB3 HIS 54 0.988 7.614 7.721 339 HD1 HIS 54 HD1 HIS 54 3.505 7.530 8.217 340 HD2 HIS 54 HD2 HIS 54 2.535 6.350 4.309 341 HE1 HIS 54 HE1 HIS 54 5.707 7.154 7.010 342 H THR 55 H THR 55 -1.695 4.693 8.086 343 HA THR 55 HA THR 55 -3.904 6.537 7.342 344 HB THR 55 HB THR 55 -3.643 5.035 5.426 345 HG1 THR 55 HG1 THR 55 -5.737 5.700 6.131 346 HG21 THR 55 HG21 THR 55 -4.127 2.659 5.529 347 HG22 THR 55 HG22 THR 55 -4.348 2.716 7.285 348 HG23 THR 55 HG23 THR 55 -2.741 2.991 6.580 349 H THR 56 H THR 56 -6.028 5.996 8.347 350 HA THR 56 HA THR 56 -5.806 4.486 10.899 351 HB THR 56 HB THR 56 -7.941 5.324 11.524 352 HG1 THR 56 HG1 THR 56 -9.327 5.692 10.015 353 HG21 THR 56 HG21 THR 56 -5.950 6.947 11.580 354 HG22 THR 56 HG22 THR 56 -7.578 7.641 11.699 355 HG23 THR 56 HG23 THR 56 -6.688 7.725 10.167 356 H LEU 57 H LEU 57 -6.740 3.870 7.687 357 HA LEU 57 HA LEU 57 -9.000 2.182 7.999 358 HB2 LEU 57 HB2 LEU 57 -6.807 2.243 5.890 359 HB3 LEU 57 HB3 LEU 57 -8.312 1.355 5.706 360 HG LEU 57 HG LEU 57 -8.098 4.393 6.015 361 HD11 LEU 57 HD11 LEU 57 -8.697 2.674 3.569 362 HD12 LEU 57 HD12 LEU 57 -7.188 3.568 3.876 363 HD13 LEU 57 HD13 LEU 57 -8.705 4.449 3.636 364 HD21 LEU 57 HD21 LEU 57 -10.270 3.597 6.840 365 HD22 LEU 57 HD22 LEU 57 -10.492 2.608 5.380 366 HD23 LEU 57 HD23 LEU 57 -10.474 4.381 5.274 367 HA PRO 58 HA PRO 58 -7.250 -1.507 9.621 368 HB2 PRO 58 HB2 PRO 58 -9.322 -3.168 8.331 369 HB3 PRO 58 HB3 PRO 58 -9.168 -2.748 10.058 370 HG2 PRO 58 HG2 PRO 58 -11.199 -1.758 8.485 371 HG3 PRO 58 HG3 PRO 58 -10.439 -0.753 9.769 372 HD2 PRO 58 HD2 PRO 58 -9.654 -0.904 6.845 373 HD3 PRO 58 HD3 PRO 58 -10.180 0.528 7.651 374 H SER 59 H SER 59 -5.695 -3.077 8.907 375 HA SER 59 HA SER 59 -4.848 -2.985 6.205 376 HB2 SER 59 HB2 SER 59 -3.657 -5.239 6.851 377 HB3 SER 59 HB3 SER 59 -3.073 -3.689 7.415 378 HG SER 59 HG SER 59 -4.213 -4.096 9.421 379 H GLN 60 H GLN 60 -7.328 -5.066 7.567 380 HA GLN 60 HA GLN 60 -7.585 -6.934 5.417 381 HB2 GLN 60 HB2 GLN 60 -9.868 -5.684 7.008 382 HB3 GLN 60 HB3 GLN 60 -9.844 -7.230 6.184 383 HG2 GLN 60 HG2 GLN 60 -9.515 -8.045 8.250 384 HG3 GLN 60 HG3 GLN 60 -7.823 -7.672 7.997 385 HE21 GLN 60 HE21 GLN 60 -10.216 -7.363 10.196 386 HE22 GLN 60 HE22 GLN 60 -9.526 -5.986 11.050 387 H GLU 61 H GLU 61 -8.443 -3.529 5.596 388 HA GLU 61 HA GLU 61 -10.022 -3.526 3.099 389 HB2 GLU 61 HB2 GLU 61 -10.545 -2.205 5.212 390 HB3 GLU 61 HB3 GLU 61 -9.148 -1.175 4.794 391 HG2 GLU 61 HG2 GLU 61 -10.174 -0.545 2.706 392 HG3 GLU 61 HG3 GLU 61 -11.513 -1.677 3.023 393 H VAL 62 H VAL 62 -6.888 -2.250 4.369 394 HA VAL 62 HA VAL 62 -6.186 -0.969 1.944 395 HB VAL 62 HB VAL 62 -4.144 -1.848 3.993 396 HG11 VAL 62 HG11 VAL 62 -3.434 -0.656 1.904 397 HG12 VAL 62 HG12 VAL 62 -4.484 0.695 2.362 398 HG13 VAL 62 HG13 VAL 62 -3.080 0.261 3.371 399 HG21 VAL 62 HG21 VAL 62 -5.738 -0.892 5.462 400 HG22 VAL 62 HG22 VAL 62 -4.535 0.331 5.185 401 HG23 VAL 62 HG23 VAL 62 -6.100 0.443 4.337 402 H GLN 63 H GLN 63 -5.452 -4.263 3.194 403 HA GLN 63 HA GLN 63 -3.578 -5.119 1.247 404 HB2 GLN 63 HB2 GLN 63 -4.397 -6.543 3.167 405 HB3 GLN 63 HB3 GLN 63 -5.960 -6.665 2.379 406 HG2 GLN 63 HG2 GLN 63 -4.702 -7.702 0.358 407 HG3 GLN 63 HG3 GLN 63 -3.265 -7.716 1.376 408 HE21 GLN 63 HE21 GLN 63 -5.870 -9.543 0.290 409 HE22 GLN 63 HE22 GLN 63 -5.899 -10.756 1.573 410 H ALA 64 H ALA 64 -7.158 -4.827 0.989 411 HA ALA 64 HA ALA 64 -7.053 -6.011 -1.664 412 HB1 ALA 64 HB1 ALA 64 -8.830 -6.553 -0.029 413 HB2 ALA 64 HB2 ALA 64 -9.319 -4.856 0.062 414 HB3 ALA 64 HB3 ALA 64 -9.543 -5.773 -1.451 415 H LEU 65 H LEU 65 -7.138 -2.762 -0.287 416 HA LEU 65 HA LEU 65 -7.719 -1.347 -2.718 417 HB2 LEU 65 HB2 LEU 65 -6.325 -0.640 -0.145 418 HB3 LEU 65 HB3 LEU 65 -6.353 0.471 -1.482 419 HG LEU 65 HG LEU 65 -8.864 -0.665 -0.183 420 HD11 LEU 65 HD11 LEU 65 -9.090 1.549 0.845 421 HD12 LEU 65 HD12 LEU 65 -7.516 2.029 0.162 422 HD13 LEU 65 HD13 LEU 65 -7.618 0.731 1.382 423 HD21 LEU 65 HD21 LEU 65 -9.999 1.227 -1.335 424 HD22 LEU 65 HD22 LEU 65 -9.303 0.092 -2.487 425 HD23 LEU 65 HD23 LEU 65 -8.476 1.632 -2.157 426 H LEU 66 H LEU 66 -4.775 -2.520 -1.208 427 HA LEU 66 HA LEU 66 -2.895 -1.625 -3.213 428 HB2 LEU 66 HB2 LEU 66 -2.830 -3.682 -0.972 429 HB3 LEU 66 HB3 LEU 66 -1.436 -3.381 -1.992 430 HG LEU 66 HG LEU 66 -2.751 -1.061 -0.530 431 HD11 LEU 66 HD11 LEU 66 -0.676 -2.987 0.586 432 HD12 LEU 66 HD12 LEU 66 -2.323 -2.747 1.211 433 HD13 LEU 66 HD13 LEU 66 -1.152 -1.435 1.320 434 HD21 LEU 66 HD21 LEU 66 -0.458 -0.165 -0.625 435 HD22 LEU 66 HD22 LEU 66 -1.019 -0.595 -2.250 436 HD23 LEU 66 HD23 LEU 66 0.114 -1.660 -1.392 437 H GLU 67 H GLU 67 -4.536 -4.801 -2.678 438 HA GLU 67 HA GLU 67 -3.120 -5.894 -4.989 439 HB2 GLU 67 HB2 GLU 67 -3.378 -7.842 -4.074 440 HB3 GLU 67 HB3 GLU 67 -3.838 -6.911 -2.644 441 HG2 GLU 67 HG2 GLU 67 -6.189 -7.282 -3.109 442 HG3 GLU 67 HG3 GLU 67 -5.652 -8.373 -4.410 443 H GLY 68 H GLY 68 -6.373 -4.671 -4.518 444 HA2 GLY 68 HA2 GLY 68 -7.565 -5.563 -6.949 445 HA3 GLY 68 HA3 GLY 68 -7.952 -4.078 -6.068 446 H THR 69 H THR 69 -4.791 -3.753 -6.663 447 HA THR 69 HA THR 69 -4.932 -2.070 -9.038 448 HB THR 69 HB THR 69 -2.607 -1.594 -8.598 449 HG1 THR 69 HG1 THR 69 -2.448 -3.211 -6.380 450 HG21 THR 69 HG21 THR 69 -4.148 -1.782 -5.979 451 HG22 THR 69 HG22 THR 69 -4.392 -0.564 -7.233 452 HG23 THR 69 HG23 THR 69 -2.855 -0.667 -6.370 453 H GLY 70 H GLY 70 -4.890 -5.396 -8.659 454 HA2 GLY 70 HA2 GLY 70 -5.145 -6.796 -10.569 455 HA3 GLY 70 HA3 GLY 70 -4.020 -5.795 -11.489 456 H ARG 71 H ARG 71 -3.368 -6.924 -8.201 457 HA ARG 71 HA ARG 71 -1.606 -9.134 -9.009 458 HB2 ARG 71 HB2 ARG 71 0.392 -8.063 -7.956 459 HB3 ARG 71 HB3 ARG 71 -0.190 -7.231 -9.383 460 HG2 ARG 71 HG2 ARG 71 -1.360 -5.550 -7.907 461 HG3 ARG 71 HG3 ARG 71 -0.719 -6.378 -6.489 462 HD2 ARG 71 HD2 ARG 71 0.605 -4.376 -7.098 463 HD3 ARG 71 HD3 ARG 71 1.530 -5.879 -7.139 464 HE ARG 71 HE ARG 71 1.873 -5.632 -9.428 465 HH11 ARG 71 HH11 ARG 71 -0.917 -3.564 -8.678 466 HH12 ARG 71 HH12 ARG 71 -0.958 -3.050 -10.356 467 HH21 ARG 71 HH21 ARG 71 1.750 -4.683 -11.450 468 HH22 ARG 71 HH22 ARG 71 0.384 -3.613 -11.764 469 H GLN 72 H GLN 72 -0.203 -9.343 -6.598 470 HA GLN 72 HA GLN 72 -2.327 -9.729 -4.548 471 HB2 GLN 72 HB2 GLN 72 -1.073 -11.729 -5.230 472 HB3 GLN 72 HB3 GLN 72 0.430 -11.007 -4.616 473 HG2 GLN 72 HG2 GLN 72 -0.569 -10.905 -2.346 474 HG3 GLN 72 HG3 GLN 72 -2.114 -11.465 -3.006 475 HE21 GLN 72 HE21 GLN 72 -1.848 -12.915 -1.166 476 HE22 GLN 72 HE22 GLN 72 -0.919 -14.410 -1.396 477 H ALA 73 H ALA 73 -2.078 -9.037 -2.531 478 HA ALA 73 HA ALA 73 0.286 -7.384 -1.614 479 HB1 ALA 73 HB1 ALA 73 -1.746 -5.982 -2.151 480 HB2 ALA 73 HB2 ALA 73 -2.621 -6.917 -0.922 481 HB3 ALA 73 HB3 ALA 73 -1.226 -5.924 -0.445 482 H VAL 74 H VAL 74 1.070 -7.982 0.342 483 HA VAL 74 HA VAL 74 -0.527 -9.617 2.267 484 HB VAL 74 HB VAL 74 2.216 -10.293 1.170 485 HG11 VAL 74 HG11 VAL 74 0.888 -11.429 3.660 486 HG12 VAL 74 HG12 VAL 74 2.289 -12.156 2.845 487 HG13 VAL 74 HG13 VAL 74 2.442 -10.556 3.570 488 HG21 VAL 74 HG21 VAL 74 -0.362 -11.903 1.382 489 HG22 VAL 74 HG22 VAL 74 0.381 -11.280 -0.109 490 HG23 VAL 74 HG23 VAL 74 1.194 -12.548 0.805 491 H LEU 75 H LEU 75 -0.407 -8.632 4.196 492 HA LEU 75 HA LEU 75 1.423 -6.456 4.657 493 HB2 LEU 75 HB2 LEU 75 -0.850 -6.556 5.428 494 HB3 LEU 75 HB3 LEU 75 -0.451 -7.801 6.551 495 HG LEU 75 HG LEU 75 0.857 -6.311 7.938 496 HD11 LEU 75 HD11 LEU 75 0.922 -4.492 5.502 497 HD12 LEU 75 HD12 LEU 75 2.268 -4.966 6.577 498 HD13 LEU 75 HD13 LEU 75 1.074 -3.804 7.104 499 HD21 LEU 75 HD21 LEU 75 -1.138 -4.649 6.485 500 HD22 LEU 75 HD22 LEU 75 -0.631 -4.427 8.214 501 HD23 LEU 75 HD23 LEU 75 -1.584 -5.869 7.743 502 H LYS 76 H LYS 76 3.170 -6.291 5.849 503 HA LYS 76 HA LYS 76 4.459 -8.806 6.854 504 HB2 LYS 76 HB2 LYS 76 5.777 -6.184 6.054 505 HB3 LYS 76 HB3 LYS 76 6.592 -7.620 6.601 506 HG2 LYS 76 HG2 LYS 76 4.924 -7.424 4.052 507 HG3 LYS 76 HG3 LYS 76 6.681 -7.320 4.127 508 HD2 LYS 76 HD2 LYS 76 5.009 -9.746 4.887 509 HD3 LYS 76 HD3 LYS 76 5.867 -9.520 3.367 510 HE2 LYS 76 HE2 LYS 76 8.035 -9.419 4.581 511 HE3 LYS 76 HE3 LYS 76 7.184 -9.679 6.110 512 HZ1 LYS 76 HZ1 LYS 76 8.060 -11.766 5.197 513 HZ2 LYS 76 HZ2 LYS 76 7.185 -11.573 3.829 514 HZ3 LYS 76 HZ3 LYS 76 6.400 -11.813 5.237 515 H GLY 77 H GLY 77 3.736 -5.477 7.768 516 HA2 GLY 77 HA2 GLY 77 2.724 -5.982 10.234 517 HA3 GLY 77 HA3 GLY 77 4.459 -5.773 10.573 518 H MET 78 H MET 78 4.110 -3.808 11.734 519 HA MET 78 HA MET 78 3.160 -1.484 10.168 520 HB2 MET 78 HB2 MET 78 3.078 -2.102 13.149 521 HB3 MET 78 HB3 MET 78 2.772 -0.526 12.447 522 HG2 MET 78 HG2 MET 78 0.612 -1.329 12.586 523 HG3 MET 78 HG3 MET 78 1.039 -1.748 10.935 524 HE1 MET 78 HE1 MET 78 -1.239 -4.730 11.625 525 HE2 MET 78 HE2 MET 78 -1.475 -3.015 12.037 526 HE3 MET 78 HE3 MET 78 -0.718 -3.462 10.490 527 H GLY 79 H GLY 79 4.209 0.502 10.491 528 HA2 GLY 79 HA2 GLY 79 7.128 0.364 10.730 529 HA3 GLY 79 HA3 GLY 79 6.178 1.789 10.347 Start of MODEL 13 1 H GLY 9 H GLY 9 -8.545 2.904 14.195 2 HA2 GLY 9 HA2 GLY 9 -9.359 4.326 12.369 3 HA3 GLY 9 HA3 GLY 9 -10.581 5.008 13.452 4 H THR 10 H THR 10 -7.052 4.440 13.684 5 HA THR 10 HA THR 10 -6.477 7.309 13.939 6 HB THR 10 HB THR 10 -6.941 6.564 16.175 7 HG1 THR 10 HG1 THR 10 -4.927 6.958 17.148 8 HG21 THR 10 HG21 THR 10 -4.716 4.513 15.837 9 HG22 THR 10 HG22 THR 10 -6.451 4.141 15.952 10 HG23 THR 10 HG23 THR 10 -5.626 4.858 17.322 11 H LEU 11 H LEU 11 -4.226 7.845 13.739 12 HA LEU 11 HA LEU 11 -3.321 6.523 11.438 13 HB2 LEU 11 HB2 LEU 11 -2.769 9.009 12.985 14 HB3 LEU 11 HB3 LEU 11 -1.474 8.469 11.977 15 HG LEU 11 HG LEU 11 -4.317 8.775 10.973 16 HD11 LEU 11 HD11 LEU 11 -3.878 10.868 10.079 17 HD12 LEU 11 HD12 LEU 11 -2.145 10.816 10.506 18 HD13 LEU 11 HD13 LEU 11 -3.392 10.958 11.774 19 HD21 LEU 11 HD21 LEU 11 -1.745 8.826 9.357 20 HD22 LEU 11 HD22 LEU 11 -3.412 8.812 8.744 21 HD23 LEU 11 HD23 LEU 11 -2.740 7.384 9.554 22 H CYS 12 H CYS 12 -2.019 5.037 11.068 23 HA CYS 12 HA CYS 12 0.513 4.673 12.550 24 HB2 CYS 12 HB2 CYS 12 -1.330 3.001 13.296 25 HB3 CYS 12 HB3 CYS 12 -1.139 2.306 11.661 26 HG CYS 12 HG CYS 12 1.122 1.381 11.818 27 H THR 13 H THR 13 2.002 3.374 11.253 28 HA THR 13 HA THR 13 1.727 3.574 8.270 29 HB THR 13 HB THR 13 3.897 2.252 9.881 30 HG1 THR 13 HG1 THR 13 5.156 4.092 9.463 31 HG21 THR 13 HG21 THR 13 3.840 1.644 7.465 32 HG22 THR 13 HG22 THR 13 5.245 2.653 7.785 33 HG23 THR 13 HG23 THR 13 3.811 3.371 7.030 34 H LEU 14 H LEU 14 1.038 1.820 7.137 35 HA LEU 14 HA LEU 14 1.367 -0.941 8.299 36 HB2 LEU 14 HB2 LEU 14 -1.002 0.345 7.093 37 HB3 LEU 14 HB3 LEU 14 -0.603 -1.276 6.511 38 HG LEU 14 HG LEU 14 -0.545 -0.674 9.509 39 HD11 LEU 14 HD11 LEU 14 -2.706 -0.014 8.687 40 HD12 LEU 14 HD12 LEU 14 -2.785 -1.516 9.640 41 HD13 LEU 14 HD13 LEU 14 -2.864 -1.587 7.842 42 HD21 LEU 14 HD21 LEU 14 0.432 -2.826 8.856 43 HD22 LEU 14 HD22 LEU 14 -0.945 -3.152 7.784 44 HD23 LEU 14 HD23 LEU 14 -1.162 -3.140 9.542 45 H GLU 15 H GLU 15 2.346 -2.348 7.166 46 HA GLU 15 HA GLU 15 3.919 -1.300 4.864 47 HB2 GLU 15 HB2 GLU 15 4.856 -0.901 7.048 48 HB3 GLU 15 HB3 GLU 15 4.813 -2.652 7.402 49 HG2 GLU 15 HG2 GLU 15 6.287 -3.035 5.493 50 HG3 GLU 15 HG3 GLU 15 6.369 -1.285 5.215 51 H PHE 16 H PHE 16 3.204 -2.445 3.349 52 HA PHE 16 HA PHE 16 2.787 -5.414 3.522 53 HB2 PHE 16 HB2 PHE 16 1.661 -3.291 1.653 54 HB3 PHE 16 HB3 PHE 16 1.460 -5.011 1.405 55 HD1 PHE 16 HD2 PHE 16 0.487 -2.227 3.639 56 HD2 PHE 16 HD1 PHE 16 -0.085 -6.365 2.551 57 HE1 PHE 16 HE2 PHE 16 -1.710 -2.237 4.806 58 HE2 PHE 16 HE1 PHE 16 -2.275 -6.373 3.725 59 HZ PHE 16 HZ PHE 16 -3.106 -4.293 4.802 60 H ALA 17 H ALA 17 3.569 -6.814 2.132 61 HA ALA 17 HA ALA 17 5.540 -5.935 0.057 62 HB1 ALA 17 HB1 ALA 17 4.860 -8.710 1.047 63 HB2 ALA 17 HB2 ALA 17 6.159 -8.276 -0.089 64 HB3 ALA 17 HB3 ALA 17 6.236 -7.717 1.598 65 H VAL 18 H VAL 18 5.155 -6.397 -2.161 66 HA VAL 18 HA VAL 18 2.433 -7.343 -2.955 67 HB VAL 18 HB VAL 18 2.420 -5.340 -4.605 68 HG11 VAL 18 HG11 VAL 18 2.118 -4.684 -1.638 69 HG12 VAL 18 HG12 VAL 18 1.373 -3.832 -3.002 70 HG13 VAL 18 HG13 VAL 18 0.889 -5.495 -2.639 71 HG21 VAL 18 HG21 VAL 18 4.741 -4.672 -4.270 72 HG22 VAL 18 HG22 VAL 18 3.552 -3.374 -3.962 73 HG23 VAL 18 HG23 VAL 18 4.353 -4.198 -2.611 74 H GLN 19 H GLN 19 2.179 -7.934 -5.213 75 HA GLN 19 HA GLN 19 4.758 -8.851 -6.423 76 HB2 GLN 19 HB2 GLN 19 1.851 -9.429 -7.074 77 HB3 GLN 19 HB3 GLN 19 3.220 -10.015 -8.036 78 HG2 GLN 19 HG2 GLN 19 4.122 -11.243 -6.123 79 HG3 GLN 19 HG3 GLN 19 2.876 -10.582 -5.067 80 HE21 GLN 19 HE21 GLN 19 2.663 -12.938 -4.645 81 HE22 GLN 19 HE22 GLN 19 1.432 -13.790 -5.584 82 H MET 20 H MET 20 5.600 -6.740 -6.977 83 HA MET 20 HA MET 20 4.996 -6.226 -9.786 84 HB2 MET 20 HB2 MET 20 4.940 -3.774 -9.525 85 HB3 MET 20 HB3 MET 20 3.554 -4.541 -8.750 86 HG2 MET 20 HG2 MET 20 4.693 -4.352 -6.555 87 HG3 MET 20 HG3 MET 20 6.070 -3.568 -7.339 88 HE1 MET 20 HE1 MET 20 4.309 -1.063 -4.991 89 HE2 MET 20 HE2 MET 20 5.226 -2.600 -5.059 90 HE3 MET 20 HE3 MET 20 5.908 -1.117 -5.771 91 H THR 21 H THR 21 6.732 -5.160 -10.884 92 HA THR 21 HA THR 21 9.329 -4.960 -9.463 93 HB THR 21 HB THR 21 9.174 -7.270 -9.776 94 HG1 THR 21 HG1 THR 21 11.021 -7.501 -10.567 95 HG21 THR 21 HG21 THR 21 8.308 -6.730 -12.616 96 HG22 THR 21 HG22 THR 21 7.493 -7.681 -11.366 97 HG23 THR 21 HG23 THR 21 8.976 -8.299 -12.101 98 H CYS 22 H CYS 22 7.420 -4.085 -12.296 99 HA CYS 22 HA CYS 22 9.741 -2.441 -13.169 100 HB2 CYS 22 HB2 CYS 22 9.011 -2.525 -15.399 101 HB3 CYS 22 HB3 CYS 22 9.287 -4.101 -14.762 102 H GLN 23 H GLN 23 9.344 -0.408 -14.105 103 HA GLN 23 HA GLN 23 8.465 1.189 -12.023 104 HB2 GLN 23 HB2 GLN 23 9.221 1.936 -14.856 105 HB3 GLN 23 HB3 GLN 23 8.977 3.103 -13.569 106 HG2 GLN 23 HG2 GLN 23 11.103 0.933 -13.656 107 HG3 GLN 23 HG3 GLN 23 11.340 2.673 -13.797 108 HE21 GLN 23 HE21 GLN 23 10.091 3.843 -11.632 109 HE22 GLN 23 HE22 GLN 23 10.740 3.135 -10.168 110 H SER 24 H SER 24 6.456 0.293 -14.754 111 HA SER 24 HA SER 24 4.561 2.491 -14.495 112 HB2 SER 24 HB2 SER 24 3.944 -0.294 -15.555 113 HB3 SER 24 HB3 SER 24 3.162 1.239 -15.973 114 HG SER 24 HG SER 24 5.741 0.259 -16.651 115 H CYS 25 H CYS 25 4.825 -0.693 -12.908 116 HA CYS 25 HA CYS 25 2.147 -0.651 -11.844 117 HB2 CYS 25 HB2 CYS 25 4.617 -2.321 -11.243 118 HB3 CYS 25 HB3 CYS 25 2.997 -2.637 -10.622 119 H VAL 26 H VAL 26 5.390 0.066 -10.521 120 HA VAL 26 HA VAL 26 4.983 0.739 -7.886 121 HB VAL 26 HB VAL 26 6.553 2.567 -9.755 122 HG11 VAL 26 HG11 VAL 26 7.075 1.354 -7.007 123 HG12 VAL 26 HG12 VAL 26 8.272 2.297 -7.909 124 HG13 VAL 26 HG13 VAL 26 6.775 3.078 -7.419 125 HG21 VAL 26 HG21 VAL 26 7.001 0.463 -10.656 126 HG22 VAL 26 HG22 VAL 26 8.398 0.960 -9.708 127 HG23 VAL 26 HG23 VAL 26 7.256 -0.265 -9.054 128 H ASP 27 H ASP 27 4.598 2.989 -10.645 129 HA ASP 27 HA ASP 27 3.303 5.062 -9.093 130 HB2 ASP 27 HB2 ASP 27 3.905 4.506 -11.991 131 HB3 ASP 27 HB3 ASP 27 2.650 5.668 -11.629 132 H ALA 28 H ALA 28 2.044 2.224 -10.861 133 HA ALA 28 HA ALA 28 -0.678 3.240 -10.967 134 HB1 ALA 28 HB1 ALA 28 -1.338 0.945 -11.408 135 HB2 ALA 28 HB2 ALA 28 0.078 1.370 -12.405 136 HB3 ALA 28 HB3 ALA 28 0.257 0.346 -10.950 137 H VAL 29 H VAL 29 1.031 1.020 -8.639 138 HA VAL 29 HA VAL 29 -1.234 0.831 -6.981 139 HB VAL 29 HB VAL 29 1.643 0.297 -6.144 140 HG11 VAL 29 HG11 VAL 29 -0.175 0.306 -4.378 141 HG12 VAL 29 HG12 VAL 29 -1.027 -0.928 -5.353 142 HG13 VAL 29 HG13 VAL 29 0.554 -1.292 -4.620 143 HG21 VAL 29 HG21 VAL 29 1.128 -1.085 -8.193 144 HG22 VAL 29 HG22 VAL 29 1.209 -2.064 -6.740 145 HG23 VAL 29 HG23 VAL 29 -0.367 -1.611 -7.437 146 H ARG 30 H ARG 30 1.635 3.033 -6.876 147 HA ARG 30 HA ARG 30 0.967 4.416 -4.453 148 HB2 ARG 30 HB2 ARG 30 2.106 5.358 -7.154 149 HB3 ARG 30 HB3 ARG 30 1.981 6.450 -5.796 150 HG2 ARG 30 HG2 ARG 30 3.711 5.467 -4.610 151 HG3 ARG 30 HG3 ARG 30 3.626 3.939 -5.485 152 HD2 ARG 30 HD2 ARG 30 4.988 4.669 -7.192 153 HD3 ARG 30 HD3 ARG 30 4.179 6.241 -7.272 154 HE ARG 30 HE ARG 30 5.872 6.045 -4.927 155 HH11 ARG 30 HH11 ARG 30 6.029 6.851 -8.403 156 HH12 ARG 30 HH12 ARG 30 7.453 7.837 -8.081 157 HH21 ARG 30 HH21 ARG 30 7.638 7.248 -4.762 158 HH22 ARG 30 HH22 ARG 30 8.276 8.083 -6.193 159 H LYS 31 H LYS 31 -0.331 4.860 -7.775 160 HA LYS 31 HA LYS 31 -1.991 7.088 -6.838 161 HB2 LYS 31 HB2 LYS 31 -1.597 5.898 -9.591 162 HB3 LYS 31 HB3 LYS 31 -2.660 7.282 -9.208 163 HG2 LYS 31 HG2 LYS 31 -0.753 8.344 -7.979 164 HG3 LYS 31 HG3 LYS 31 0.327 7.083 -8.547 165 HD2 LYS 31 HD2 LYS 31 0.165 7.879 -10.819 166 HD3 LYS 31 HD3 LYS 31 -1.134 9.035 -10.369 167 HE2 LYS 31 HE2 LYS 31 0.329 10.114 -8.727 168 HE3 LYS 31 HE3 LYS 31 1.613 8.943 -9.034 169 HZ1 LYS 31 HZ1 LYS 31 1.771 9.782 -11.310 170 HZ2 LYS 31 HZ2 LYS 31 2.058 10.973 -10.224 171 HZ3 LYS 31 HZ3 LYS 31 0.599 10.919 -10.987 172 H SER 32 H SER 32 -2.541 3.707 -7.128 173 HA SER 32 HA SER 32 -5.390 3.761 -6.795 174 HB2 SER 32 HB2 SER 32 -5.192 1.511 -6.285 175 HB3 SER 32 HB3 SER 32 -3.670 1.784 -7.123 176 HG SER 32 HG SER 32 -2.611 1.957 -5.145 177 H LEU 33 H LEU 33 -2.730 4.290 -4.506 178 HA LEU 33 HA LEU 33 -4.408 4.442 -2.118 179 HB2 LEU 33 HB2 LEU 33 -1.527 5.334 -2.485 180 HB3 LEU 33 HB3 LEU 33 -2.328 4.926 -0.979 181 HG LEU 33 HG LEU 33 -1.882 2.836 -3.123 182 HD11 LEU 33 HD11 LEU 33 0.307 3.940 -2.523 183 HD12 LEU 33 HD12 LEU 33 0.200 2.216 -2.151 184 HD13 LEU 33 HD13 LEU 33 0.044 3.424 -0.854 185 HD21 LEU 33 HD21 LEU 33 -1.871 1.310 -1.287 186 HD22 LEU 33 HD22 LEU 33 -3.389 2.233 -1.323 187 HD23 LEU 33 HD23 LEU 33 -2.120 2.638 -0.125 188 H GLN 34 H GLN 34 -2.727 6.771 -4.238 189 HA GLN 34 HA GLN 34 -3.080 9.085 -2.677 190 HB2 GLN 34 HB2 GLN 34 -2.610 8.499 -5.572 191 HB3 GLN 34 HB3 GLN 34 -3.088 10.119 -5.197 192 HG2 GLN 34 HG2 GLN 34 -1.210 10.370 -3.618 193 HG3 GLN 34 HG3 GLN 34 -0.763 8.698 -3.880 194 HE21 GLN 34 HE21 GLN 34 1.419 9.781 -4.563 195 HE22 GLN 34 HE22 GLN 34 1.500 10.389 -6.216 196 H GLY 35 H GLY 35 -4.518 10.527 -2.416 197 HA2 GLY 35 HA2 GLY 35 -6.628 11.446 -2.125 198 HA3 GLY 35 HA3 GLY 35 -6.998 10.916 -3.763 199 H VAL 36 H VAL 36 -6.298 8.517 -1.158 200 HA VAL 36 HA VAL 36 -9.099 7.572 -1.290 201 HB VAL 36 HB VAL 36 -6.588 6.350 -0.105 202 HG11 VAL 36 HG11 VAL 36 -7.990 4.338 0.342 203 HG12 VAL 36 HG12 VAL 36 -8.415 5.697 1.375 204 HG13 VAL 36 HG13 VAL 36 -9.444 5.286 -0.019 205 HG21 VAL 36 HG21 VAL 36 -6.863 6.192 -2.580 206 HG22 VAL 36 HG22 VAL 36 -7.002 4.611 -1.807 207 HG23 VAL 36 HG23 VAL 36 -8.465 5.463 -2.353 208 H ALA 37 H ALA 37 -10.468 7.777 0.286 209 HA ALA 37 HA ALA 37 -10.141 9.648 2.429 210 HB1 ALA 37 HB1 ALA 37 -12.321 9.112 1.454 211 HB2 ALA 37 HB2 ALA 37 -12.208 7.441 2.051 212 HB3 ALA 37 HB3 ALA 37 -12.329 8.793 3.198 213 H GLY 38 H GLY 38 -8.935 9.451 4.193 214 HA2 GLY 38 HA2 GLY 38 -8.566 8.512 6.363 215 HA3 GLY 38 HA3 GLY 38 -8.810 6.889 5.722 216 H VAL 39 H VAL 39 -6.869 8.548 3.519 217 HA VAL 39 HA VAL 39 -4.346 7.484 4.689 218 HB VAL 39 HB VAL 39 -5.258 7.052 2.249 219 HG11 VAL 39 HG11 VAL 39 -5.359 9.471 1.588 220 HG12 VAL 39 HG12 VAL 39 -3.589 9.518 1.666 221 HG13 VAL 39 HG13 VAL 39 -4.399 8.437 0.522 222 HG21 VAL 39 HG21 VAL 39 -3.155 6.164 3.197 223 HG22 VAL 39 HG22 VAL 39 -2.945 6.658 1.511 224 HG23 VAL 39 HG23 VAL 39 -2.323 7.687 2.819 225 H GLN 40 H GLN 40 -2.621 8.799 5.236 226 HA GLN 40 HA GLN 40 -2.879 11.733 4.754 227 HB2 GLN 40 HB2 GLN 40 -1.519 10.090 6.921 228 HB3 GLN 40 HB3 GLN 40 -1.120 11.764 6.627 229 HG2 GLN 40 HG2 GLN 40 -3.847 10.711 7.408 230 HG3 GLN 40 HG3 GLN 40 -2.698 11.616 8.405 231 HE21 GLN 40 HE21 GLN 40 -5.515 12.341 7.826 232 HE22 GLN 40 HE22 GLN 40 -5.356 13.949 7.118 233 H ASP 41 H ASP 41 -0.558 8.971 4.641 234 HA ASP 41 HA ASP 41 0.825 10.251 2.398 235 HB2 ASP 41 HB2 ASP 41 2.110 9.825 5.116 236 HB3 ASP 41 HB3 ASP 41 3.069 9.733 3.671 237 H VAL 42 H VAL 42 2.519 8.895 1.585 238 HA VAL 42 HA VAL 42 2.378 5.987 2.074 239 HB VAL 42 HB VAL 42 2.067 5.533 -0.350 240 HG11 VAL 42 HG11 VAL 42 0.186 5.271 1.213 241 HG12 VAL 42 HG12 VAL 42 -0.314 6.952 0.900 242 HG13 VAL 42 HG13 VAL 42 -0.341 5.763 -0.404 243 HG21 VAL 42 HG21 VAL 42 1.022 7.161 -1.835 244 HG22 VAL 42 HG22 VAL 42 1.110 8.415 -0.582 245 HG23 VAL 42 HG23 VAL 42 2.595 7.756 -1.297 246 H GLU 43 H GLU 43 4.180 4.819 1.242 247 HA GLU 43 HA GLU 43 6.141 6.191 -0.484 248 HB2 GLU 43 HB2 GLU 43 6.755 6.488 1.936 249 HB3 GLU 43 HB3 GLU 43 6.793 4.734 2.084 250 HG2 GLU 43 HG2 GLU 43 8.904 5.347 1.738 251 HG3 GLU 43 HG3 GLU 43 8.490 4.705 0.165 252 H VAL 44 H VAL 44 6.862 4.692 -2.082 253 HA VAL 44 HA VAL 44 6.333 1.789 -1.578 254 HB VAL 44 HB VAL 44 5.024 2.844 -3.410 255 HG11 VAL 44 HG11 VAL 44 6.004 3.338 -5.469 256 HG12 VAL 44 HG12 VAL 44 6.906 4.314 -4.289 257 HG13 VAL 44 HG13 VAL 44 7.632 2.842 -4.960 258 HG21 VAL 44 HG21 VAL 44 5.375 1.029 -4.930 259 HG22 VAL 44 HG22 VAL 44 6.965 0.665 -4.210 260 HG23 VAL 44 HG23 VAL 44 5.483 0.450 -3.252 261 H HIS 45 H HIS 45 7.958 0.401 -1.724 262 HA HIS 45 HA HIS 45 10.624 1.362 -2.611 263 HB2 HIS 45 HB2 HIS 45 9.929 -0.432 -0.251 264 HB3 HIS 45 HB3 HIS 45 11.529 -0.344 -0.948 265 HD1 HIS 45 HD1 HIS 45 13.104 1.412 0.050 266 HD2 HIS 45 HD2 HIS 45 9.037 2.056 0.888 267 HE1 HIS 45 HE1 HIS 45 13.020 3.309 1.758 268 H LEU 46 H LEU 46 10.271 0.652 -4.646 269 HA LEU 46 HA LEU 46 9.331 -1.890 -5.525 270 HB2 LEU 46 HB2 LEU 46 9.624 0.303 -6.761 271 HB3 LEU 46 HB3 LEU 46 11.342 0.037 -6.791 272 HG LEU 46 HG LEU 46 9.968 -0.446 -8.881 273 HD11 LEU 46 HD11 LEU 46 12.331 -1.114 -8.583 274 HD12 LEU 46 HD12 LEU 46 11.402 -2.149 -9.669 275 HD13 LEU 46 HD13 LEU 46 11.782 -2.714 -8.035 276 HD21 LEU 46 HD21 LEU 46 8.888 -2.536 -9.175 277 HD22 LEU 46 HD22 LEU 46 8.207 -1.842 -7.696 278 HD23 LEU 46 HD23 LEU 46 9.415 -3.141 -7.593 279 H GLU 47 H GLU 47 12.510 -0.737 -4.543 280 HA GLU 47 HA GLU 47 14.020 -3.060 -5.364 281 HB2 GLU 47 HB2 GLU 47 14.666 -0.940 -3.279 282 HB3 GLU 47 HB3 GLU 47 15.784 -2.179 -3.858 283 HG2 GLU 47 HG2 GLU 47 15.378 -1.318 -6.219 284 HG3 GLU 47 HG3 GLU 47 14.536 0.055 -5.517 285 H ASP 48 H ASP 48 11.799 -2.784 -2.746 286 HA ASP 48 HA ASP 48 12.728 -5.457 -1.756 287 HB2 ASP 48 HB2 ASP 48 12.543 -3.339 -0.125 288 HB3 ASP 48 HB3 ASP 48 10.847 -3.733 -0.172 289 H GLN 49 H GLN 49 10.557 -4.103 -3.776 290 HA GLN 49 HA GLN 49 8.387 -4.091 -4.278 291 HB2 GLN 49 HB2 GLN 49 8.168 -6.986 -3.477 292 HB3 GLN 49 HB3 GLN 49 7.262 -6.070 -4.680 293 HG2 GLN 49 HG2 GLN 49 8.615 -7.263 -6.061 294 HG3 GLN 49 HG3 GLN 49 9.566 -5.790 -5.913 295 HE21 GLN 49 HE21 GLN 49 9.121 -9.061 -4.467 296 HE22 GLN 49 HE22 GLN 49 10.838 -9.345 -4.205 297 H MET 50 H MET 50 8.911 -3.061 -1.753 298 HA MET 50 HA MET 50 6.583 -3.915 -0.111 299 HB2 MET 50 HB2 MET 50 8.715 -4.055 0.977 300 HB3 MET 50 HB3 MET 50 9.082 -2.366 0.631 301 HG2 MET 50 HG2 MET 50 7.510 -1.564 2.208 302 HG3 MET 50 HG3 MET 50 6.635 -3.089 2.253 303 HE1 MET 50 HE1 MET 50 8.412 -5.414 2.818 304 HE2 MET 50 HE2 MET 50 8.346 -5.358 4.595 305 HE3 MET 50 HE3 MET 50 6.909 -4.919 3.640 306 H VAL 51 H VAL 51 5.144 -2.388 0.801 307 HA VAL 51 HA VAL 51 5.156 0.389 -0.240 308 HB VAL 51 HB VAL 51 2.523 -1.079 0.080 309 HG11 VAL 51 HG11 VAL 51 2.646 1.396 -0.245 310 HG12 VAL 51 HG12 VAL 51 3.590 1.138 -1.732 311 HG13 VAL 51 HG13 VAL 51 1.891 0.606 -1.643 312 HG21 VAL 51 HG21 VAL 51 4.227 -1.269 -2.418 313 HG22 VAL 51 HG22 VAL 51 3.561 -2.578 -1.410 314 HG23 VAL 51 HG23 VAL 51 2.469 -1.559 -2.351 315 H LEU 52 H LEU 52 4.712 1.879 1.240 316 HA LEU 52 HA LEU 52 3.719 1.123 3.950 317 HB2 LEU 52 HB2 LEU 52 5.382 3.496 3.041 318 HB3 LEU 52 HB3 LEU 52 4.699 3.319 4.629 319 HG LEU 52 HG LEU 52 6.132 1.173 4.869 320 HD11 LEU 52 HD11 LEU 52 8.250 1.241 3.467 321 HD12 LEU 52 HD12 LEU 52 7.402 2.356 2.374 322 HD13 LEU 52 HD13 LEU 52 6.821 0.691 2.606 323 HD21 LEU 52 HD21 LEU 52 8.118 2.462 5.459 324 HD22 LEU 52 HD22 LEU 52 6.669 3.361 5.928 325 HD23 LEU 52 HD23 LEU 52 7.560 3.831 4.462 326 H VAL 53 H VAL 53 1.955 2.043 4.673 327 HA VAL 53 HA VAL 53 0.663 4.272 3.181 328 HB VAL 53 HB VAL 53 -0.792 1.779 4.141 329 HG11 VAL 53 HG11 VAL 53 -2.698 2.745 2.924 330 HG12 VAL 53 HG12 VAL 53 -2.105 3.922 4.102 331 HG13 VAL 53 HG13 VAL 53 -1.699 4.114 2.388 332 HG21 VAL 53 HG21 VAL 53 0.007 2.551 1.318 333 HG22 VAL 53 HG22 VAL 53 0.500 1.101 2.214 334 HG23 VAL 53 HG23 VAL 53 -1.183 1.291 1.731 335 H HIS 54 H HIS 54 0.739 5.860 4.584 336 HA HIS 54 HA HIS 54 0.449 5.450 7.486 337 HB2 HIS 54 HB2 HIS 54 0.913 7.969 5.865 338 HB3 HIS 54 HB3 HIS 54 0.919 7.867 7.598 339 HD1 HIS 54 HD1 HIS 54 3.188 7.148 8.746 340 HD2 HIS 54 HD2 HIS 54 3.010 6.405 4.611 341 HE1 HIS 54 HE1 HIS 54 5.529 6.477 8.039 342 H THR 55 H THR 55 -1.633 4.951 8.012 343 HA THR 55 HA THR 55 -3.899 6.644 7.067 344 HB THR 55 HB THR 55 -3.626 5.035 5.309 345 HG1 THR 55 HG1 THR 55 -5.726 5.575 6.042 346 HG21 THR 55 HG21 THR 55 -2.519 3.138 6.540 347 HG22 THR 55 HG22 THR 55 -3.929 2.627 5.602 348 HG23 THR 55 HG23 THR 55 -4.058 2.809 7.360 349 H THR 56 H THR 56 -5.826 6.419 8.226 350 HA THR 56 HA THR 56 -5.733 5.101 10.851 351 HB THR 56 HB THR 56 -7.951 5.996 11.214 352 HG1 THR 56 HG1 THR 56 -9.028 6.001 9.389 353 HG21 THR 56 HG21 THR 56 -6.276 8.132 9.878 354 HG22 THR 56 HG22 THR 56 -5.968 7.449 11.493 355 HG23 THR 56 HG23 THR 56 -7.474 8.317 11.180 356 H LEU 57 H LEU 57 -6.521 3.928 7.753 357 HA LEU 57 HA LEU 57 -8.847 2.383 8.313 358 HB2 LEU 57 HB2 LEU 57 -6.697 2.171 6.172 359 HB3 LEU 57 HB3 LEU 57 -8.183 1.248 6.115 360 HG LEU 57 HG LEU 57 -7.979 4.294 6.019 361 HD11 LEU 57 HD11 LEU 57 -8.765 4.017 3.720 362 HD12 LEU 57 HD12 LEU 57 -8.827 2.253 3.923 363 HD13 LEU 57 HD13 LEU 57 -7.265 3.110 3.962 364 HD21 LEU 57 HD21 LEU 57 -10.065 3.722 7.139 365 HD22 LEU 57 HD22 LEU 57 -10.433 2.507 5.891 366 HD23 LEU 57 HD23 LEU 57 -10.392 4.241 5.494 367 HA PRO 58 HA PRO 58 -7.334 -1.424 10.005 368 HB2 PRO 58 HB2 PRO 58 -9.385 -2.996 8.621 369 HB3 PRO 58 HB3 PRO 58 -9.304 -2.552 10.349 370 HG2 PRO 58 HG2 PRO 58 -11.206 -1.533 8.624 371 HG3 PRO 58 HG3 PRO 58 -10.530 -0.565 9.979 372 HD2 PRO 58 HD2 PRO 58 -9.544 -0.682 7.119 373 HD3 PRO 58 HD3 PRO 58 -10.080 0.739 7.930 374 H SER 59 H SER 59 -5.818 -3.099 9.400 375 HA SER 59 HA SER 59 -4.705 -2.910 6.831 376 HB2 SER 59 HB2 SER 59 -3.972 -5.483 7.808 377 HB3 SER 59 HB3 SER 59 -3.042 -3.996 7.724 378 HG SER 59 HG SER 59 -4.044 -5.291 9.865 379 H GLN 60 H GLN 60 -7.328 -5.040 7.814 380 HA GLN 60 HA GLN 60 -7.360 -6.814 5.575 381 HB2 GLN 60 HB2 GLN 60 -9.891 -5.694 6.805 382 HB3 GLN 60 HB3 GLN 60 -9.594 -7.269 6.095 383 HG2 GLN 60 HG2 GLN 60 -9.606 -7.892 8.267 384 HG3 GLN 60 HG3 GLN 60 -7.907 -7.475 8.223 385 HE21 GLN 60 HE21 GLN 60 -10.821 -6.837 9.810 386 HE22 GLN 60 HE22 GLN 60 -10.151 -5.502 10.736 387 H GLU 61 H GLU 61 -8.470 -3.439 5.932 388 HA GLU 61 HA GLU 61 -9.933 -3.384 3.413 389 HB2 GLU 61 HB2 GLU 61 -10.432 -2.104 5.582 390 HB3 GLU 61 HB3 GLU 61 -9.052 -1.055 5.145 391 HG2 GLU 61 HG2 GLU 61 -10.105 -0.428 3.078 392 HG3 GLU 61 HG3 GLU 61 -11.440 -1.562 3.386 393 H VAL 62 H VAL 62 -6.788 -2.162 4.651 394 HA VAL 62 HA VAL 62 -5.978 -0.873 2.266 395 HB VAL 62 HB VAL 62 -4.065 -2.102 4.272 396 HG11 VAL 62 HG11 VAL 62 -3.174 -0.953 2.234 397 HG12 VAL 62 HG12 VAL 62 -4.049 0.514 2.704 398 HG13 VAL 62 HG13 VAL 62 -2.725 -0.107 3.720 399 HG21 VAL 62 HG21 VAL 62 -5.581 -0.991 5.735 400 HG22 VAL 62 HG22 VAL 62 -4.171 0.024 5.579 401 HG23 VAL 62 HG23 VAL 62 -5.664 0.444 4.687 402 H GLN 63 H GLN 63 -5.463 -4.241 3.496 403 HA GLN 63 HA GLN 63 -3.848 -5.205 1.373 404 HB2 GLN 63 HB2 GLN 63 -4.412 -6.558 3.380 405 HB3 GLN 63 HB3 GLN 63 -6.082 -6.651 2.865 406 HG2 GLN 63 HG2 GLN 63 -5.341 -7.804 0.738 407 HG3 GLN 63 HG3 GLN 63 -3.673 -7.735 1.337 408 HE21 GLN 63 HE21 GLN 63 -4.326 -10.114 0.651 409 HE22 GLN 63 HE22 GLN 63 -4.676 -11.136 2.056 410 H ALA 64 H ALA 64 -7.454 -4.798 1.432 411 HA ALA 64 HA ALA 64 -7.643 -5.960 -1.249 412 HB1 ALA 64 HB1 ALA 64 -9.687 -4.626 0.594 413 HB2 ALA 64 HB2 ALA 64 -10.060 -5.475 -0.924 414 HB3 ALA 64 HB3 ALA 64 -9.375 -6.368 0.445 415 H LEU 65 H LEU 65 -7.290 -2.685 0.133 416 HA LEU 65 HA LEU 65 -7.895 -1.268 -2.253 417 HB2 LEU 65 HB2 LEU 65 -6.244 -0.635 0.161 418 HB3 LEU 65 HB3 LEU 65 -6.282 0.438 -1.211 419 HG LEU 65 HG LEU 65 -8.809 -0.450 0.245 420 HD11 LEU 65 HD11 LEU 65 -7.402 0.795 1.792 421 HD12 LEU 65 HD12 LEU 65 -8.753 1.806 1.273 422 HD13 LEU 65 HD13 LEU 65 -7.136 2.066 0.574 423 HD21 LEU 65 HD21 LEU 65 -9.787 1.561 -0.842 424 HD22 LEU 65 HD22 LEU 65 -9.266 0.361 -2.021 425 HD23 LEU 65 HD23 LEU 65 -8.269 1.806 -1.733 426 H LEU 66 H LEU 66 -4.873 -2.611 -0.980 427 HA LEU 66 HA LEU 66 -3.170 -1.979 -3.214 428 HB2 LEU 66 HB2 LEU 66 -3.037 -4.025 -0.959 429 HB3 LEU 66 HB3 LEU 66 -1.710 -3.742 -2.072 430 HG LEU 66 HG LEU 66 -2.835 -1.394 -0.507 431 HD11 LEU 66 HD11 LEU 66 -1.182 -1.865 1.276 432 HD12 LEU 66 HD12 LEU 66 -0.850 -3.450 0.536 433 HD13 LEU 66 HD13 LEU 66 -2.449 -3.082 1.224 434 HD21 LEU 66 HD21 LEU 66 -0.043 -2.118 -1.497 435 HD22 LEU 66 HD22 LEU 66 -0.511 -0.613 -0.685 436 HD23 LEU 66 HD23 LEU 66 -1.168 -0.988 -2.289 437 H GLU 67 H GLU 67 -4.960 -4.967 -2.349 438 HA GLU 67 HA GLU 67 -4.172 -6.436 -4.719 439 HB2 GLU 67 HB2 GLU 67 -6.226 -6.786 -2.503 440 HB3 GLU 67 HB3 GLU 67 -6.278 -7.818 -3.860 441 HG2 GLU 67 HG2 GLU 67 -3.638 -8.081 -3.336 442 HG3 GLU 67 HG3 GLU 67 -4.122 -7.542 -1.748 443 H GLY 68 H GLY 68 -6.739 -4.127 -4.185 444 HA2 GLY 68 HA2 GLY 68 -8.244 -4.721 -6.559 445 HA3 GLY 68 HA3 GLY 68 -8.216 -3.191 -5.681 446 H THR 69 H THR 69 -5.039 -3.724 -6.423 447 HA THR 69 HA THR 69 -5.116 -1.919 -8.739 448 HB THR 69 HB THR 69 -2.726 -1.651 -8.431 449 HG1 THR 69 HG1 THR 69 -2.788 -3.397 -6.260 450 HG21 THR 69 HG21 THR 69 -3.938 -1.627 -5.681 451 HG22 THR 69 HG22 THR 69 -4.476 -0.548 -6.977 452 HG23 THR 69 HG23 THR 69 -2.796 -0.516 -6.477 453 H GLY 70 H GLY 70 -5.307 -5.259 -8.499 454 HA2 GLY 70 HA2 GLY 70 -5.488 -6.651 -10.405 455 HA3 GLY 70 HA3 GLY 70 -4.368 -5.631 -11.310 456 H ARG 71 H ARG 71 -3.435 -6.498 -8.119 457 HA ARG 71 HA ARG 71 -1.842 -8.853 -8.830 458 HB2 ARG 71 HB2 ARG 71 0.268 -7.757 -8.024 459 HB3 ARG 71 HB3 ARG 71 -0.371 -7.086 -9.517 460 HG2 ARG 71 HG2 ARG 71 -1.433 -5.229 -8.167 461 HG3 ARG 71 HG3 ARG 71 -0.631 -5.869 -6.733 462 HD2 ARG 71 HD2 ARG 71 0.623 -4.007 -7.591 463 HD3 ARG 71 HD3 ARG 71 1.549 -5.474 -7.820 464 HE ARG 71 HE ARG 71 1.445 -5.175 -10.151 465 HH11 ARG 71 HH11 ARG 71 -1.144 -3.199 -8.790 466 HH12 ARG 71 HH12 ARG 71 -1.394 -2.415 -10.336 467 HH21 ARG 71 HH21 ARG 71 1.177 -3.794 -11.987 468 HH22 ARG 71 HH22 ARG 71 -0.282 -2.827 -12.014 469 H GLN 72 H GLN 72 -0.391 -9.279 -6.669 470 HA GLN 72 HA GLN 72 -2.376 -9.517 -4.489 471 HB2 GLN 72 HB2 GLN 72 -1.246 -11.527 -5.434 472 HB3 GLN 72 HB3 GLN 72 0.286 -10.924 -4.794 473 HG2 GLN 72 HG2 GLN 72 -0.566 -11.064 -2.507 474 HG3 GLN 72 HG3 GLN 72 -2.177 -11.514 -3.081 475 HE21 GLN 72 HE21 GLN 72 -0.731 -13.015 -1.184 476 HE22 GLN 72 HE22 GLN 72 -0.134 -14.490 -1.940 477 H ALA 73 H ALA 73 -1.849 -9.137 -2.395 478 HA ALA 73 HA ALA 73 0.608 -7.642 -1.632 479 HB1 ALA 73 HB1 ALA 73 -2.178 -7.087 -0.545 480 HB2 ALA 73 HB2 ALA 73 -0.666 -6.270 -0.097 481 HB3 ALA 73 HB3 ALA 73 -1.332 -6.071 -1.733 482 H VAL 74 H VAL 74 1.498 -8.297 0.268 483 HA VAL 74 HA VAL 74 0.167 -10.250 2.082 484 HB VAL 74 HB VAL 74 2.932 -10.517 0.882 485 HG11 VAL 74 HG11 VAL 74 3.193 -12.536 2.343 486 HG12 VAL 74 HG12 VAL 74 3.109 -11.050 3.287 487 HG13 VAL 74 HG13 VAL 74 1.688 -12.108 3.179 488 HG21 VAL 74 HG21 VAL 74 1.102 -11.520 -0.469 489 HG22 VAL 74 HG22 VAL 74 2.139 -12.773 0.222 490 HG23 VAL 74 HG23 VAL 74 0.569 -12.423 0.977 491 H LEU 75 H LEU 75 0.060 -9.163 3.848 492 HA LEU 75 HA LEU 75 1.643 -6.902 4.534 493 HB2 LEU 75 HB2 LEU 75 -0.609 -7.306 5.192 494 HB3 LEU 75 HB3 LEU 75 -0.144 -8.561 6.281 495 HG LEU 75 HG LEU 75 0.859 -7.018 7.837 496 HD11 LEU 75 HD11 LEU 75 0.894 -4.459 7.156 497 HD12 LEU 75 HD12 LEU 75 0.969 -5.053 5.502 498 HD13 LEU 75 HD13 LEU 75 2.227 -5.453 6.697 499 HD21 LEU 75 HD21 LEU 75 -1.631 -6.790 7.392 500 HD22 LEU 75 HD22 LEU 75 -1.148 -5.434 6.313 501 HD23 LEU 75 HD23 LEU 75 -0.820 -5.340 8.087 502 H LYS 76 H LYS 76 3.303 -6.496 5.770 503 HA LYS 76 HA LYS 76 4.869 -8.759 6.925 504 HB2 LYS 76 HB2 LYS 76 5.911 -6.143 5.761 505 HB3 LYS 76 HB3 LYS 76 6.881 -7.413 6.471 506 HG2 LYS 76 HG2 LYS 76 5.192 -7.675 3.950 507 HG3 LYS 76 HG3 LYS 76 6.942 -7.485 4.002 508 HD2 LYS 76 HD2 LYS 76 7.244 -9.664 5.026 509 HD3 LYS 76 HD3 LYS 76 5.497 -9.834 5.260 510 HE2 LYS 76 HE2 LYS 76 5.162 -9.717 2.800 511 HE3 LYS 76 HE3 LYS 76 6.923 -9.742 2.592 512 HZ1 LYS 76 HZ1 LYS 76 5.951 -11.946 2.382 513 HZ2 LYS 76 HZ2 LYS 76 5.346 -11.881 3.932 514 HZ3 LYS 76 HZ3 LYS 76 6.955 -11.905 3.671 515 H GLY 77 H GLY 77 3.673 -5.523 7.663 516 HA2 GLY 77 HA2 GLY 77 2.742 -6.286 10.065 517 HA3 GLY 77 HA3 GLY 77 4.380 -5.736 10.477 518 H MET 78 H MET 78 3.050 -4.228 11.777 519 HA MET 78 HA MET 78 2.078 -1.829 10.362 520 HB2 MET 78 HB2 MET 78 2.399 -2.452 13.325 521 HB3 MET 78 HB3 MET 78 1.841 -0.935 12.636 522 HG2 MET 78 HG2 MET 78 -0.243 -1.881 12.869 523 HG3 MET 78 HG3 MET 78 0.166 -2.557 11.315 524 HE1 MET 78 HE1 MET 78 -1.091 -4.771 11.118 525 HE2 MET 78 HE2 MET 78 -1.579 -5.699 12.550 526 HE3 MET 78 HE3 MET 78 -2.058 -3.993 12.396 527 H GLY 79 H GLY 79 3.352 -0.181 9.872 528 HA2 GLY 79 HA2 GLY 79 6.184 -0.748 9.862 529 HA3 GLY 79 HA3 GLY 79 5.470 0.660 9.136 Start of MODEL 14 1 H GLY 9 H GLY 9 -11.057 4.679 11.737 2 HA2 GLY 9 HA2 GLY 9 -9.982 3.603 14.249 3 HA3 GLY 9 HA3 GLY 9 -9.302 3.486 12.625 4 H THR 10 H THR 10 -7.340 4.137 13.273 5 HA THR 10 HA THR 10 -6.804 6.982 13.738 6 HB THR 10 HB THR 10 -7.194 6.068 15.931 7 HG1 THR 10 HG1 THR 10 -4.845 6.562 16.635 8 HG21 THR 10 HG21 THR 10 -4.688 4.380 15.570 9 HG22 THR 10 HG22 THR 10 -6.342 3.734 15.581 10 HG23 THR 10 HG23 THR 10 -5.698 4.511 17.031 11 H LEU 11 H LEU 11 -4.637 7.618 13.435 12 HA LEU 11 HA LEU 11 -3.617 6.375 11.132 13 HB2 LEU 11 HB2 LEU 11 -3.151 8.809 12.766 14 HB3 LEU 11 HB3 LEU 11 -1.784 8.290 11.854 15 HG LEU 11 HG LEU 11 -4.522 8.492 10.577 16 HD11 LEU 11 HD11 LEU 11 -3.801 10.719 11.615 17 HD12 LEU 11 HD12 LEU 11 -4.289 10.668 9.921 18 HD13 LEU 11 HD13 LEU 11 -2.557 10.762 10.335 19 HD21 LEU 11 HD21 LEU 11 -2.649 7.309 9.348 20 HD22 LEU 11 HD22 LEU 11 -1.786 8.851 9.303 21 HD23 LEU 11 HD23 LEU 11 -3.353 8.692 8.485 22 H CYS 12 H CYS 12 -2.127 5.063 10.692 23 HA CYS 12 HA CYS 12 0.102 4.264 12.474 24 HB2 CYS 12 HB2 CYS 12 -2.240 2.590 11.466 25 HB3 CYS 12 HB3 CYS 12 -0.694 1.841 11.923 26 HG CYS 12 HG CYS 12 -2.140 4.026 13.891 27 H THR 13 H THR 13 1.746 3.092 11.265 28 HA THR 13 HA THR 13 1.634 3.380 8.282 29 HB THR 13 HB THR 13 4.005 2.615 10.006 30 HG1 THR 13 HG1 THR 13 4.758 4.703 9.355 31 HG21 THR 13 HG21 THR 13 3.818 3.394 7.067 32 HG22 THR 13 HG22 THR 13 4.186 1.764 7.692 33 HG23 THR 13 HG23 THR 13 5.317 3.088 7.975 34 H LEU 14 H LEU 14 1.099 1.595 7.130 35 HA LEU 14 HA LEU 14 1.633 -1.141 8.276 36 HB2 LEU 14 HB2 LEU 14 -0.394 -0.047 6.345 37 HB3 LEU 14 HB3 LEU 14 0.079 -1.739 6.302 38 HG LEU 14 HG LEU 14 -0.902 -2.298 8.297 39 HD11 LEU 14 HD11 LEU 14 -0.001 -0.661 9.834 40 HD12 LEU 14 HD12 LEU 14 -1.737 -0.835 10.029 41 HD13 LEU 14 HD13 LEU 14 -1.091 0.595 9.181 42 HD21 LEU 14 HD21 LEU 14 -3.178 -1.347 8.240 43 HD22 LEU 14 HD22 LEU 14 -2.580 -1.603 6.586 44 HD23 LEU 14 HD23 LEU 14 -2.601 0.030 7.294 45 H GLU 15 H GLU 15 3.124 -2.385 7.411 46 HA GLU 15 HA GLU 15 4.607 -1.526 4.965 47 HB2 GLU 15 HB2 GLU 15 5.419 -3.276 7.324 48 HB3 GLU 15 HB3 GLU 15 6.392 -3.009 5.874 49 HG2 GLU 15 HG2 GLU 15 6.375 -0.576 6.333 50 HG3 GLU 15 HG3 GLU 15 5.556 -0.881 7.877 51 H PHE 16 H PHE 16 3.488 -2.507 3.301 52 HA PHE 16 HA PHE 16 2.852 -5.443 3.544 53 HB2 PHE 16 HB2 PHE 16 1.892 -3.329 1.573 54 HB3 PHE 16 HB3 PHE 16 1.567 -5.049 1.430 55 HD1 PHE 16 HD2 PHE 16 0.754 -2.066 3.445 56 HD2 PHE 16 HD1 PHE 16 -0.042 -6.234 2.653 57 HE1 PHE 16 HE2 PHE 16 -1.440 -1.868 4.588 58 HE2 PHE 16 HE1 PHE 16 -2.241 -6.026 3.787 59 HZ PHE 16 HZ PHE 16 -2.950 -3.853 4.737 60 H ALA 17 H ALA 17 3.571 -6.949 2.277 61 HA ALA 17 HA ALA 17 5.616 -6.384 0.166 62 HB1 ALA 17 HB1 ALA 17 5.817 -8.841 0.077 63 HB2 ALA 17 HB2 ALA 17 6.072 -8.229 1.721 64 HB3 ALA 17 HB3 ALA 17 4.520 -8.999 1.285 65 H VAL 18 H VAL 18 5.118 -6.490 -2.016 66 HA VAL 18 HA VAL 18 2.406 -7.395 -2.904 67 HB VAL 18 HB VAL 18 2.177 -5.314 -4.229 68 HG11 VAL 18 HG11 VAL 18 2.348 -4.763 -1.238 69 HG12 VAL 18 HG12 VAL 18 1.434 -3.838 -2.445 70 HG13 VAL 18 HG13 VAL 18 0.969 -5.500 -2.083 71 HG21 VAL 18 HG21 VAL 18 4.532 -4.605 -4.265 72 HG22 VAL 18 HG22 VAL 18 3.444 -3.361 -3.609 73 HG23 VAL 18 HG23 VAL 18 4.464 -4.305 -2.517 74 H GLN 19 H GLN 19 2.164 -7.600 -5.256 75 HA GLN 19 HA GLN 19 4.748 -8.516 -6.441 76 HB2 GLN 19 HB2 GLN 19 1.857 -8.892 -7.296 77 HB3 GLN 19 HB3 GLN 19 3.253 -9.494 -8.194 78 HG2 GLN 19 HG2 GLN 19 2.470 -10.283 -5.352 79 HG3 GLN 19 HG3 GLN 19 2.294 -11.274 -6.798 80 HE21 GLN 19 HE21 GLN 19 4.079 -11.258 -4.139 81 HE22 GLN 19 HE22 GLN 19 5.633 -11.763 -4.789 82 H MET 20 H MET 20 5.726 -6.452 -6.750 83 HA MET 20 HA MET 20 5.318 -5.840 -9.570 84 HB2 MET 20 HB2 MET 20 5.655 -3.370 -9.146 85 HB3 MET 20 HB3 MET 20 4.046 -4.038 -8.825 86 HG2 MET 20 HG2 MET 20 4.348 -3.962 -6.475 87 HG3 MET 20 HG3 MET 20 6.088 -3.688 -6.621 88 HE1 MET 20 HE1 MET 20 4.885 -0.489 -4.927 89 HE2 MET 20 HE2 MET 20 3.808 -1.864 -4.918 90 HE3 MET 20 HE3 MET 20 5.586 -2.161 -4.787 91 H THR 21 H THR 21 7.191 -5.476 -10.651 92 HA THR 21 HA THR 21 9.681 -4.781 -9.192 93 HB THR 21 HB THR 21 9.371 -7.250 -9.232 94 HG1 THR 21 HG1 THR 21 11.376 -6.282 -8.978 95 HG21 THR 21 HG21 THR 21 9.893 -8.531 -11.209 96 HG22 THR 21 HG22 THR 21 10.075 -7.060 -12.182 97 HG23 THR 21 HG23 THR 21 8.480 -7.519 -11.544 98 H CYS 22 H CYS 22 7.774 -3.833 -11.554 99 HA CYS 22 HA CYS 22 9.990 -2.455 -12.898 100 HB2 CYS 22 HB2 CYS 22 9.611 -3.264 -14.921 101 HB3 CYS 22 HB3 CYS 22 8.637 -4.497 -14.141 102 H GLN 23 H GLN 23 9.256 -0.498 -14.085 103 HA GLN 23 HA GLN 23 8.411 1.145 -11.904 104 HB2 GLN 23 HB2 GLN 23 9.344 1.805 -14.688 105 HB3 GLN 23 HB3 GLN 23 9.012 3.017 -13.442 106 HG2 GLN 23 HG2 GLN 23 11.060 0.766 -13.250 107 HG3 GLN 23 HG3 GLN 23 11.417 2.467 -13.514 108 HE21 GLN 23 HE21 GLN 23 12.009 0.399 -11.202 109 HE22 GLN 23 HE22 GLN 23 11.590 1.384 -9.800 110 H SER 24 H SER 24 6.609 0.140 -14.765 111 HA SER 24 HA SER 24 4.560 2.172 -14.582 112 HB2 SER 24 HB2 SER 24 4.207 -0.665 -15.640 113 HB3 SER 24 HB3 SER 24 3.348 0.796 -16.146 114 HG SER 24 HG SER 24 4.950 0.127 -17.653 115 H CYS 25 H CYS 25 5.067 -0.700 -12.658 116 HA CYS 25 HA CYS 25 2.287 -0.915 -11.780 117 HB2 CYS 25 HB2 CYS 25 4.884 -2.122 -10.767 118 HB3 CYS 25 HB3 CYS 25 3.259 -2.592 -10.290 119 H VAL 26 H VAL 26 5.355 0.344 -10.519 120 HA VAL 26 HA VAL 26 4.800 1.090 -7.924 121 HB VAL 26 HB VAL 26 6.403 2.943 -9.721 122 HG11 VAL 26 HG11 VAL 26 7.183 1.558 -7.131 123 HG12 VAL 26 HG12 VAL 26 7.994 2.911 -7.903 124 HG13 VAL 26 HG13 VAL 26 6.400 3.171 -7.149 125 HG21 VAL 26 HG21 VAL 26 6.925 0.810 -10.585 126 HG22 VAL 26 HG22 VAL 26 8.273 1.434 -9.630 127 HG23 VAL 26 HG23 VAL 26 7.188 0.158 -8.964 128 H ASP 27 H ASP 27 4.502 3.206 -10.803 129 HA ASP 27 HA ASP 27 3.219 5.410 -9.538 130 HB2 ASP 27 HB2 ASP 27 4.253 5.096 -11.929 131 HB3 ASP 27 HB3 ASP 27 2.700 4.461 -12.367 132 H ALA 28 H ALA 28 1.935 2.386 -10.952 133 HA ALA 28 HA ALA 28 -0.806 3.342 -11.004 134 HB1 ALA 28 HB1 ALA 28 -1.382 1.026 -11.456 135 HB2 ALA 28 HB2 ALA 28 0.025 1.543 -12.449 136 HB3 ALA 28 HB3 ALA 28 0.255 0.502 -11.022 137 H VAL 29 H VAL 29 0.998 1.193 -8.652 138 HA VAL 29 HA VAL 29 -1.306 0.976 -7.035 139 HB VAL 29 HB VAL 29 1.571 0.454 -6.211 140 HG11 VAL 29 HG11 VAL 29 -0.232 0.458 -4.426 141 HG12 VAL 29 HG12 VAL 29 -1.102 -0.768 -5.389 142 HG13 VAL 29 HG13 VAL 29 0.483 -1.146 -4.669 143 HG21 VAL 29 HG21 VAL 29 1.203 -1.896 -6.822 144 HG22 VAL 29 HG22 VAL 29 -0.422 -1.512 -7.445 145 HG23 VAL 29 HG23 VAL 29 1.011 -0.920 -8.267 146 H ARG 30 H ARG 30 1.567 3.139 -6.931 147 HA ARG 30 HA ARG 30 1.013 4.529 -4.489 148 HB2 ARG 30 HB2 ARG 30 2.232 5.341 -7.219 149 HB3 ARG 30 HB3 ARG 30 2.024 6.532 -5.967 150 HG2 ARG 30 HG2 ARG 30 3.519 5.410 -4.458 151 HG3 ARG 30 HG3 ARG 30 3.650 4.006 -5.526 152 HD2 ARG 30 HD2 ARG 30 4.916 5.132 -7.150 153 HD3 ARG 30 HD3 ARG 30 4.445 6.748 -6.543 154 HE ARG 30 HE ARG 30 6.710 5.158 -5.749 155 HH11 ARG 30 HH11 ARG 30 4.616 7.649 -4.326 156 HH12 ARG 30 HH12 ARG 30 5.799 7.950 -3.074 157 HH21 ARG 30 HH21 ARG 30 7.991 5.549 -4.194 158 HH22 ARG 30 HH22 ARG 30 7.678 6.732 -2.936 159 H LYS 31 H LYS 31 -0.329 5.016 -7.831 160 HA LYS 31 HA LYS 31 -1.800 7.361 -6.864 161 HB2 LYS 31 HB2 LYS 31 -1.630 6.136 -9.603 162 HB3 LYS 31 HB3 LYS 31 -2.562 7.593 -9.151 163 HG2 LYS 31 HG2 LYS 31 -0.479 8.517 -8.064 164 HG3 LYS 31 HG3 LYS 31 0.447 7.195 -8.748 165 HD2 LYS 31 HD2 LYS 31 -0.057 7.977 -11.020 166 HD3 LYS 31 HD3 LYS 31 -1.157 9.232 -10.363 167 HE2 LYS 31 HE2 LYS 31 0.741 10.010 -8.904 168 HE3 LYS 31 HE3 LYS 31 1.810 8.902 -9.767 169 HZ1 LYS 31 HZ1 LYS 31 0.302 11.154 -11.006 170 HZ2 LYS 31 HZ2 LYS 31 1.238 10.097 -11.839 171 HZ3 LYS 31 HZ3 LYS 31 1.910 11.149 -10.736 172 H SER 32 H SER 32 -2.679 3.991 -7.220 173 HA SER 32 HA SER 32 -5.533 4.457 -6.824 174 HB2 SER 32 HB2 SER 32 -4.600 2.220 -7.474 175 HB3 SER 32 HB3 SER 32 -3.957 2.080 -5.821 176 HG SER 32 HG SER 32 -6.264 1.294 -6.321 177 H LEU 33 H LEU 33 -2.702 4.101 -4.661 178 HA LEU 33 HA LEU 33 -4.136 4.281 -2.170 179 HB2 LEU 33 HB2 LEU 33 -1.235 4.900 -2.924 180 HB3 LEU 33 HB3 LEU 33 -1.847 4.781 -1.291 181 HG LEU 33 HG LEU 33 -2.130 2.378 -3.119 182 HD11 LEU 33 HD11 LEU 33 0.049 1.544 -2.268 183 HD12 LEU 33 HD12 LEU 33 0.378 3.116 -1.515 184 HD13 LEU 33 HD13 LEU 33 0.280 2.966 -3.277 185 HD21 LEU 33 HD21 LEU 33 -1.896 1.236 -0.994 186 HD22 LEU 33 HD22 LEU 33 -3.175 2.470 -0.875 187 HD23 LEU 33 HD23 LEU 33 -1.554 2.786 -0.189 188 H GLN 34 H GLN 34 -2.503 6.829 -4.157 189 HA GLN 34 HA GLN 34 -2.593 8.756 -2.087 190 HB2 GLN 34 HB2 GLN 34 -0.870 8.727 -3.682 191 HB3 GLN 34 HB3 GLN 34 -1.997 8.756 -5.039 192 HG2 GLN 34 HG2 GLN 34 -2.517 11.007 -4.744 193 HG3 GLN 34 HG3 GLN 34 -1.798 11.085 -3.115 194 HE21 GLN 34 HE21 GLN 34 -0.752 10.193 -6.485 195 HE22 GLN 34 HE22 GLN 34 0.909 10.734 -6.236 196 H GLY 35 H GLY 35 -3.963 10.326 -1.624 197 HA2 GLY 35 HA2 GLY 35 -5.830 11.674 -1.620 198 HA3 GLY 35 HA3 GLY 35 -6.087 11.300 -3.325 199 H VAL 36 H VAL 36 -6.083 8.385 -1.380 200 HA VAL 36 HA VAL 36 -8.956 8.113 -1.658 201 HB VAL 36 HB VAL 36 -7.136 6.302 -1.930 202 HG11 VAL 36 HG11 VAL 36 -6.312 6.534 0.274 203 HG12 VAL 36 HG12 VAL 36 -7.868 5.969 0.937 204 HG13 VAL 36 HG13 VAL 36 -6.865 4.878 -0.066 205 HG21 VAL 36 HG21 VAL 36 -9.828 5.749 -0.605 206 HG22 VAL 36 HG22 VAL 36 -9.561 5.979 -2.345 207 HG23 VAL 36 HG23 VAL 36 -8.849 4.583 -1.524 208 H ALA 37 H ALA 37 -10.380 7.949 -0.101 209 HA ALA 37 HA ALA 37 -10.172 9.490 2.298 210 HB1 ALA 37 HB1 ALA 37 -12.315 9.021 1.201 211 HB2 ALA 37 HB2 ALA 37 -12.145 7.285 1.549 212 HB3 ALA 37 HB3 ALA 37 -12.343 8.447 2.878 213 H GLY 38 H GLY 38 -8.867 9.051 3.949 214 HA2 GLY 38 HA2 GLY 38 -8.564 7.854 6.011 215 HA3 GLY 38 HA3 GLY 38 -8.818 6.329 5.167 216 H VAL 39 H VAL 39 -6.828 7.498 2.908 217 HA VAL 39 HA VAL 39 -4.283 6.942 4.343 218 HB VAL 39 HB VAL 39 -4.976 7.647 1.501 219 HG11 VAL 39 HG11 VAL 39 -2.195 7.109 2.650 220 HG12 VAL 39 HG12 VAL 39 -2.600 7.123 0.920 221 HG13 VAL 39 HG13 VAL 39 -2.756 8.603 1.849 222 HG21 VAL 39 HG21 VAL 39 -3.755 5.133 2.775 223 HG22 VAL 39 HG22 VAL 39 -5.447 5.285 2.279 224 HG23 VAL 39 HG23 VAL 39 -4.167 5.330 1.058 225 H GLN 40 H GLN 40 -2.766 8.422 4.867 226 HA GLN 40 HA GLN 40 -3.273 11.320 4.357 227 HB2 GLN 40 HB2 GLN 40 -2.058 9.764 6.651 228 HB3 GLN 40 HB3 GLN 40 -1.579 11.426 6.393 229 HG2 GLN 40 HG2 GLN 40 -4.512 10.615 6.588 230 HG3 GLN 40 HG3 GLN 40 -3.504 11.047 7.965 231 HE21 GLN 40 HE21 GLN 40 -2.788 13.203 8.282 232 HE22 GLN 40 HE22 GLN 40 -3.360 14.513 7.280 233 H ASP 41 H ASP 41 -0.779 8.742 4.276 234 HA ASP 41 HA ASP 41 0.536 10.071 2.046 235 HB2 ASP 41 HB2 ASP 41 1.727 10.063 4.791 236 HB3 ASP 41 HB3 ASP 41 2.808 9.617 3.531 237 H VAL 42 H VAL 42 2.392 8.860 1.349 238 HA VAL 42 HA VAL 42 2.501 5.961 1.948 239 HB VAL 42 HB VAL 42 2.504 5.444 -0.508 240 HG11 VAL 42 HG11 VAL 42 0.137 5.294 -0.724 241 HG12 VAL 42 HG12 VAL 42 0.587 4.942 0.949 242 HG13 VAL 42 HG13 VAL 42 -0.136 6.516 0.533 243 HG21 VAL 42 HG21 VAL 42 1.370 6.894 -2.112 244 HG22 VAL 42 HG22 VAL 42 1.154 8.151 -0.888 245 HG23 VAL 42 HG23 VAL 42 2.780 7.734 -1.462 246 H GLU 43 H GLU 43 4.460 4.952 1.390 247 HA GLU 43 HA GLU 43 6.281 6.348 -0.436 248 HB2 GLU 43 HB2 GLU 43 7.047 6.770 1.872 249 HB3 GLU 43 HB3 GLU 43 7.067 5.029 2.176 250 HG2 GLU 43 HG2 GLU 43 9.175 5.778 1.701 251 HG3 GLU 43 HG3 GLU 43 8.739 4.723 0.374 252 H VAL 44 H VAL 44 7.264 4.875 -1.856 253 HA VAL 44 HA VAL 44 6.544 1.990 -1.523 254 HB VAL 44 HB VAL 44 6.172 3.678 -3.984 255 HG11 VAL 44 HG11 VAL 44 5.855 1.586 -5.265 256 HG12 VAL 44 HG12 VAL 44 7.554 1.835 -4.825 257 HG13 VAL 44 HG13 VAL 44 6.573 0.653 -3.926 258 HG21 VAL 44 HG21 VAL 44 4.067 2.443 -4.051 259 HG22 VAL 44 HG22 VAL 44 4.632 1.410 -2.742 260 HG23 VAL 44 HG23 VAL 44 4.286 3.136 -2.430 261 H HIS 45 H HIS 45 8.004 0.547 -1.821 262 HA HIS 45 HA HIS 45 10.697 1.385 -2.814 263 HB2 HIS 45 HB2 HIS 45 9.945 -0.521 -0.564 264 HB3 HIS 45 HB3 HIS 45 11.551 -0.423 -1.284 265 HD1 HIS 45 HD1 HIS 45 13.210 1.103 -0.167 266 HD2 HIS 45 HD2 HIS 45 9.190 2.001 0.725 267 HE1 HIS 45 HE1 HIS 45 13.258 2.962 1.584 268 H LEU 46 H LEU 46 10.209 0.775 -4.912 269 HA LEU 46 HA LEU 46 9.078 -1.724 -5.702 270 HB2 LEU 46 HB2 LEU 46 9.377 0.436 -6.964 271 HB3 LEU 46 HB3 LEU 46 11.068 0.103 -7.148 272 HG LEU 46 HG LEU 46 9.494 -0.340 -9.108 273 HD11 LEU 46 HD11 LEU 46 10.768 -2.067 -10.011 274 HD12 LEU 46 HD12 LEU 46 11.279 -2.655 -8.416 275 HD13 LEU 46 HD13 LEU 46 11.828 -1.070 -9.008 276 HD21 LEU 46 HD21 LEU 46 8.332 -2.414 -9.289 277 HD22 LEU 46 HD22 LEU 46 7.786 -1.668 -7.780 278 HD23 LEU 46 HD23 LEU 46 8.959 -2.992 -7.729 279 H GLU 47 H GLU 47 12.385 -0.748 -4.951 280 HA GLU 47 HA GLU 47 13.575 -3.238 -5.943 281 HB2 GLU 47 HB2 GLU 47 14.817 -1.095 -4.185 282 HB3 GLU 47 HB3 GLU 47 15.656 -2.491 -4.867 283 HG2 GLU 47 HG2 GLU 47 14.964 -1.729 -7.172 284 HG3 GLU 47 HG3 GLU 47 14.315 -0.258 -6.450 285 H ASP 48 H ASP 48 12.007 -2.480 -2.894 286 HA ASP 48 HA ASP 48 12.881 -5.067 -1.786 287 HB2 ASP 48 HB2 ASP 48 11.535 -2.537 -0.775 288 HB3 ASP 48 HB3 ASP 48 11.285 -3.996 0.054 289 H GLN 49 H GLN 49 10.498 -3.949 -3.883 290 HA GLN 49 HA GLN 49 8.295 -4.298 -4.322 291 HB2 GLN 49 HB2 GLN 49 8.574 -7.107 -3.205 292 HB3 GLN 49 HB3 GLN 49 7.507 -6.496 -4.460 293 HG2 GLN 49 HG2 GLN 49 8.963 -7.495 -5.845 294 HG3 GLN 49 HG3 GLN 49 9.775 -5.949 -5.732 295 HE21 GLN 49 HE21 GLN 49 11.773 -6.953 -6.311 296 HE22 GLN 49 HE22 GLN 49 12.580 -8.128 -5.273 297 H MET 50 H MET 50 8.781 -2.973 -1.966 298 HA MET 50 HA MET 50 6.663 -3.947 -0.115 299 HB2 MET 50 HB2 MET 50 8.920 -4.225 0.775 300 HB3 MET 50 HB3 MET 50 9.241 -2.502 0.570 301 HG2 MET 50 HG2 MET 50 7.966 -1.884 2.372 302 HG3 MET 50 HG3 MET 50 6.812 -3.193 2.183 303 HE1 MET 50 HE1 MET 50 8.379 -6.231 3.902 304 HE2 MET 50 HE2 MET 50 6.894 -5.508 3.235 305 HE3 MET 50 HE3 MET 50 8.292 -5.825 2.176 306 H VAL 51 H VAL 51 5.305 -2.445 0.884 307 HA VAL 51 HA VAL 51 5.430 0.365 -0.096 308 HB VAL 51 HB VAL 51 2.816 -1.172 0.183 309 HG11 VAL 51 HG11 VAL 51 2.328 1.105 0.140 310 HG12 VAL 51 HG12 VAL 51 3.762 1.498 -0.812 311 HG13 VAL 51 HG13 VAL 51 2.362 0.766 -1.617 312 HG21 VAL 51 HG21 VAL 51 4.494 -0.841 -2.332 313 HG22 VAL 51 HG22 VAL 51 4.004 -2.350 -1.535 314 HG23 VAL 51 HG23 VAL 51 2.780 -1.339 -2.297 315 H LEU 52 H LEU 52 5.050 1.906 1.318 316 HA LEU 52 HA LEU 52 4.081 1.261 4.059 317 HB2 LEU 52 HB2 LEU 52 5.687 3.630 3.037 318 HB3 LEU 52 HB3 LEU 52 4.970 3.514 4.625 319 HG LEU 52 HG LEU 52 6.423 1.292 4.830 320 HD11 LEU 52 HD11 LEU 52 7.956 2.784 2.663 321 HD12 LEU 52 HD12 LEU 52 7.267 1.149 2.529 322 HD13 LEU 52 HD13 LEU 52 8.596 1.453 3.647 323 HD21 LEU 52 HD21 LEU 52 8.294 2.596 5.721 324 HD22 LEU 52 HD22 LEU 52 6.774 3.389 6.140 325 HD23 LEU 52 HD23 LEU 52 7.765 4.033 4.818 326 H VAL 53 H VAL 53 2.265 2.066 4.685 327 HA VAL 53 HA VAL 53 0.849 4.184 3.149 328 HB VAL 53 HB VAL 53 -0.461 1.627 4.151 329 HG11 VAL 53 HG11 VAL 53 -2.405 2.483 2.852 330 HG12 VAL 53 HG12 VAL 53 -1.925 3.645 4.093 331 HG13 VAL 53 HG13 VAL 53 -1.473 3.928 2.401 332 HG21 VAL 53 HG21 VAL 53 -0.817 1.094 1.730 333 HG22 VAL 53 HG22 VAL 53 0.315 2.405 1.314 334 HG23 VAL 53 HG23 VAL 53 0.869 0.991 2.236 335 H HIS 54 H HIS 54 0.824 5.781 4.537 336 HA HIS 54 HA HIS 54 0.398 5.424 7.435 337 HB2 HIS 54 HB2 HIS 54 0.658 7.976 5.804 338 HB3 HIS 54 HB3 HIS 54 0.701 7.843 7.541 339 HD1 HIS 54 HD1 HIS 54 3.078 7.424 8.629 340 HD2 HIS 54 HD2 HIS 54 2.840 6.532 4.516 341 HE1 HIS 54 HE1 HIS 54 5.454 6.964 7.842 342 H THR 55 H THR 55 -1.681 4.890 7.975 343 HA THR 55 HA THR 55 -3.972 6.432 6.861 344 HB THR 55 HB THR 55 -3.580 4.721 5.226 345 HG1 THR 55 HG1 THR 55 -5.709 5.258 5.849 346 HG21 THR 55 HG21 THR 55 -4.038 2.614 7.384 347 HG22 THR 55 HG22 THR 55 -2.460 2.968 6.645 348 HG23 THR 55 HG23 THR 55 -3.782 2.356 5.644 349 H THR 56 H THR 56 -5.968 6.167 7.956 350 HA THR 56 HA THR 56 -5.873 5.074 10.686 351 HB THR 56 HB THR 56 -8.174 5.817 10.915 352 HG1 THR 56 HG1 THR 56 -8.872 7.130 8.930 353 HG21 THR 56 HG21 THR 56 -6.571 7.980 9.518 354 HG22 THR 56 HG22 THR 56 -6.378 7.470 11.215 355 HG23 THR 56 HG23 THR 56 -7.900 8.189 10.686 356 H LEU 57 H LEU 57 -6.617 3.748 7.623 357 HA LEU 57 HA LEU 57 -8.918 2.203 8.294 358 HB2 LEU 57 HB2 LEU 57 -6.877 1.907 6.056 359 HB3 LEU 57 HB3 LEU 57 -8.432 1.092 6.083 360 HG LEU 57 HG LEU 57 -7.980 4.106 5.888 361 HD11 LEU 57 HD11 LEU 57 -8.913 3.834 3.645 362 HD12 LEU 57 HD12 LEU 57 -9.121 2.090 3.913 363 HD13 LEU 57 HD13 LEU 57 -7.489 2.801 3.842 364 HD21 LEU 57 HD21 LEU 57 -10.425 4.230 5.467 365 HD22 LEU 57 HD22 LEU 57 -10.025 3.788 7.127 366 HD23 LEU 57 HD23 LEU 57 -10.567 2.527 5.998 367 HA PRO 58 HA PRO 58 -7.153 -1.476 10.102 368 HB2 PRO 58 HB2 PRO 58 -9.133 -3.167 8.659 369 HB3 PRO 58 HB3 PRO 58 -8.965 -2.892 10.410 370 HG2 PRO 58 HG2 PRO 58 -11.070 -1.857 9.007 371 HG3 PRO 58 HG3 PRO 58 -10.276 -0.888 10.303 372 HD2 PRO 58 HD2 PRO 58 -9.620 -0.914 7.351 373 HD3 PRO 58 HD3 PRO 58 -10.142 0.483 8.238 374 H SER 59 H SER 59 -5.547 -3.118 9.423 375 HA SER 59 HA SER 59 -4.592 -2.759 6.781 376 HB2 SER 59 HB2 SER 59 -3.671 -5.286 7.750 377 HB3 SER 59 HB3 SER 59 -2.788 -3.775 7.502 378 HG SER 59 HG SER 59 -3.188 -4.963 9.702 379 H GLN 60 H GLN 60 -6.965 -5.053 7.928 380 HA GLN 60 HA GLN 60 -7.053 -6.829 5.690 381 HB2 GLN 60 HB2 GLN 60 -9.460 -5.864 7.265 382 HB3 GLN 60 HB3 GLN 60 -9.238 -7.391 6.426 383 HG2 GLN 60 HG2 GLN 60 -8.927 -8.158 8.533 384 HG3 GLN 60 HG3 GLN 60 -7.268 -7.651 8.313 385 HE21 GLN 60 HE21 GLN 60 -9.787 -7.446 10.511 386 HE22 GLN 60 HE22 GLN 60 -9.138 -6.004 11.293 387 H GLU 61 H GLU 61 -8.245 -3.507 6.095 388 HA GLU 61 HA GLU 61 -9.823 -3.488 3.621 389 HB2 GLU 61 HB2 GLU 61 -10.326 -2.277 5.802 390 HB3 GLU 61 HB3 GLU 61 -8.986 -1.173 5.378 391 HG2 GLU 61 HG2 GLU 61 -10.083 -0.464 3.393 392 HG3 GLU 61 HG3 GLU 61 -11.355 -1.690 3.604 393 H VAL 62 H VAL 62 -6.652 -2.139 4.767 394 HA VAL 62 HA VAL 62 -6.044 -0.892 2.285 395 HB VAL 62 HB VAL 62 -3.993 -1.960 4.259 396 HG11 VAL 62 HG11 VAL 62 -4.105 0.541 2.530 397 HG12 VAL 62 HG12 VAL 62 -2.748 0.055 3.575 398 HG13 VAL 62 HG13 VAL 62 -3.169 -0.920 2.160 399 HG21 VAL 62 HG21 VAL 62 -5.599 0.595 4.571 400 HG22 VAL 62 HG22 VAL 62 -5.574 -0.799 5.677 401 HG23 VAL 62 HG23 VAL 62 -4.131 0.157 5.491 402 H GLN 63 H GLN 63 -5.366 -4.196 3.540 403 HA GLN 63 HA GLN 63 -3.978 -5.225 1.243 404 HB2 GLN 63 HB2 GLN 63 -4.299 -6.464 3.387 405 HB3 GLN 63 HB3 GLN 63 -6.013 -6.612 3.035 406 HG2 GLN 63 HG2 GLN 63 -5.479 -7.808 0.916 407 HG3 GLN 63 HG3 GLN 63 -3.735 -7.686 1.293 408 HE21 GLN 63 HE21 GLN 63 -5.789 -10.015 1.044 409 HE22 GLN 63 HE22 GLN 63 -5.567 -10.897 2.571 410 H ALA 64 H ALA 64 -7.539 -4.685 1.765 411 HA ALA 64 HA ALA 64 -8.120 -6.031 -0.730 412 HB1 ALA 64 HB1 ALA 64 -9.833 -4.220 1.071 413 HB2 ALA 64 HB2 ALA 64 -10.448 -5.257 -0.224 414 HB3 ALA 64 HB3 ALA 64 -9.700 -5.983 1.210 415 H LEU 65 H LEU 65 -7.426 -2.723 0.279 416 HA LEU 65 HA LEU 65 -8.196 -1.419 -2.134 417 HB2 LEU 65 HB2 LEU 65 -6.434 -0.672 0.171 418 HB3 LEU 65 HB3 LEU 65 -6.612 0.371 -1.216 419 HG LEU 65 HG LEU 65 -9.013 -0.619 0.392 420 HD11 LEU 65 HD11 LEU 65 -7.428 1.962 0.666 421 HD12 LEU 65 HD12 LEU 65 -7.579 0.660 1.879 422 HD13 LEU 65 HD13 LEU 65 -8.993 1.617 1.445 423 HD21 LEU 65 HD21 LEU 65 -10.125 1.361 -0.609 424 HD22 LEU 65 HD22 LEU 65 -9.620 0.202 -1.828 425 HD23 LEU 65 HD23 LEU 65 -8.668 1.684 -1.578 426 H LEU 66 H LEU 66 -5.098 -2.637 -0.931 427 HA LEU 66 HA LEU 66 -3.476 -2.120 -3.240 428 HB2 LEU 66 HB2 LEU 66 -3.294 -4.116 -0.947 429 HB3 LEU 66 HB3 LEU 66 -2.015 -3.904 -2.132 430 HG LEU 66 HG LEU 66 -2.990 -1.496 -0.559 431 HD11 LEU 66 HD11 LEU 66 -0.939 -3.544 0.382 432 HD12 LEU 66 HD12 LEU 66 -2.495 -3.173 1.165 433 HD13 LEU 66 HD13 LEU 66 -1.234 -1.951 1.116 434 HD21 LEU 66 HD21 LEU 66 -1.465 -1.114 -2.450 435 HD22 LEU 66 HD22 LEU 66 -0.307 -2.282 -1.769 436 HD23 LEU 66 HD23 LEU 66 -0.655 -0.773 -0.910 437 H GLU 67 H GLU 67 -5.207 -5.100 -2.219 438 HA GLU 67 HA GLU 67 -4.862 -6.706 -4.550 439 HB2 GLU 67 HB2 GLU 67 -7.033 -6.409 -2.451 440 HB3 GLU 67 HB3 GLU 67 -7.228 -7.548 -3.728 441 HG2 GLU 67 HG2 GLU 67 -4.990 -8.590 -3.058 442 HG3 GLU 67 HG3 GLU 67 -4.960 -7.549 -1.680 443 H GLY 68 H GLY 68 -7.107 -4.047 -3.858 444 HA2 GLY 68 HA2 GLY 68 -8.664 -4.081 -6.240 445 HA3 GLY 68 HA3 GLY 68 -8.394 -2.712 -5.157 446 H THR 69 H THR 69 -5.314 -3.503 -6.104 447 HA THR 69 HA THR 69 -5.369 -1.768 -8.538 448 HB THR 69 HB THR 69 -2.985 -1.497 -8.339 449 HG1 THR 69 HG1 THR 69 -3.138 -3.170 -6.073 450 HG21 THR 69 HG21 THR 69 -2.946 -0.133 -6.439 451 HG22 THR 69 HG22 THR 69 -4.265 -1.027 -5.644 452 HG23 THR 69 HG23 THR 69 -4.561 -0.060 -7.114 453 H GLY 70 H GLY 70 -5.871 -4.950 -8.066 454 HA2 GLY 70 HA2 GLY 70 -6.166 -6.490 -9.770 455 HA3 GLY 70 HA3 GLY 70 -5.174 -5.516 -10.853 456 H ARG 71 H ARG 71 -3.788 -6.405 -7.791 457 HA ARG 71 HA ARG 71 -2.209 -8.685 -8.827 458 HB2 ARG 71 HB2 ARG 71 -0.085 -7.573 -8.152 459 HB3 ARG 71 HB3 ARG 71 -0.883 -6.759 -9.486 460 HG2 ARG 71 HG2 ARG 71 -1.737 -5.019 -7.976 461 HG3 ARG 71 HG3 ARG 71 -1.117 -5.870 -6.567 462 HD2 ARG 71 HD2 ARG 71 0.287 -3.949 -7.188 463 HD3 ARG 71 HD3 ARG 71 1.163 -5.478 -7.230 464 HE ARG 71 HE ARG 71 1.571 -5.190 -9.480 465 HH11 ARG 71 HH11 ARG 71 -1.243 -3.174 -8.846 466 HH12 ARG 71 HH12 ARG 71 -1.197 -2.518 -10.465 467 HH21 ARG 71 HH21 ARG 71 1.605 -4.245 -11.422 468 HH22 ARG 71 HH22 ARG 71 0.330 -3.155 -11.899 469 H GLN 72 H GLN 72 -0.604 -9.315 -6.952 470 HA GLN 72 HA GLN 72 -2.250 -9.617 -4.537 471 HB2 GLN 72 HB2 GLN 72 0.053 -11.124 -5.693 472 HB3 GLN 72 HB3 GLN 72 -0.087 -11.128 -3.945 473 HG2 GLN 72 HG2 GLN 72 -2.303 -11.970 -5.859 474 HG3 GLN 72 HG3 GLN 72 -1.262 -13.056 -4.937 475 HE21 GLN 72 HE21 GLN 72 -1.404 -12.928 -2.501 476 HE22 GLN 72 HE22 GLN 72 -2.834 -12.198 -1.757 477 H ALA 73 H ALA 73 -1.598 -9.481 -2.538 478 HA ALA 73 HA ALA 73 0.441 -7.551 -1.579 479 HB1 ALA 73 HB1 ALA 73 -2.563 -7.053 -1.372 480 HB2 ALA 73 HB2 ALA 73 -1.275 -6.073 -0.640 481 HB3 ALA 73 HB3 ALA 73 -1.438 -6.153 -2.410 482 H VAL 74 H VAL 74 1.153 -8.239 0.328 483 HA VAL 74 HA VAL 74 -0.531 -9.810 2.229 484 HB VAL 74 HB VAL 74 2.212 -10.594 1.144 485 HG11 VAL 74 HG11 VAL 74 0.625 -11.820 3.447 486 HG12 VAL 74 HG12 VAL 74 2.051 -12.551 2.683 487 HG13 VAL 74 HG13 VAL 74 2.220 -11.032 3.557 488 HG21 VAL 74 HG21 VAL 74 0.364 -11.318 -0.294 489 HG22 VAL 74 HG22 VAL 74 1.049 -12.702 0.547 490 HG23 VAL 74 HG23 VAL 74 -0.488 -12.000 1.114 491 H LEU 75 H LEU 75 -0.289 -9.028 4.262 492 HA LEU 75 HA LEU 75 1.570 -6.847 4.680 493 HB2 LEU 75 HB2 LEU 75 -0.723 -6.905 5.405 494 HB3 LEU 75 HB3 LEU 75 -0.358 -8.127 6.567 495 HG LEU 75 HG LEU 75 0.877 -6.617 7.978 496 HD11 LEU 75 HD11 LEU 75 2.397 -5.352 6.694 497 HD12 LEU 75 HD12 LEU 75 1.223 -4.138 7.078 498 HD13 LEU 75 HD13 LEU 75 1.169 -4.892 5.484 499 HD21 LEU 75 HD21 LEU 75 -0.580 -4.690 8.117 500 HD22 LEU 75 HD22 LEU 75 -1.552 -6.114 7.606 501 HD23 LEU 75 HD23 LEU 75 -0.988 -4.930 6.374 502 H LYS 76 H LYS 76 3.252 -6.637 5.873 503 HA LYS 76 HA LYS 76 4.569 -9.047 7.051 504 HB2 LYS 76 HB2 LYS 76 5.819 -6.567 5.815 505 HB3 LYS 76 HB3 LYS 76 6.705 -7.849 6.594 506 HG2 LYS 76 HG2 LYS 76 4.991 -8.189 4.089 507 HG3 LYS 76 HG3 LYS 76 6.752 -8.044 4.143 508 HD2 LYS 76 HD2 LYS 76 6.820 -10.123 5.569 509 HD3 LYS 76 HD3 LYS 76 5.069 -10.306 5.272 510 HE2 LYS 76 HE2 LYS 76 5.420 -10.524 2.894 511 HE3 LYS 76 HE3 LYS 76 7.133 -10.119 3.047 512 HZ1 LYS 76 HZ1 LYS 76 7.513 -12.178 4.198 513 HZ2 LYS 76 HZ2 LYS 76 6.655 -12.511 2.813 514 HZ3 LYS 76 HZ3 LYS 76 5.921 -12.528 4.290 515 H GLY 77 H GLY 77 3.781 -5.673 7.763 516 HA2 GLY 77 HA2 GLY 77 2.775 -6.157 10.188 517 HA3 GLY 77 HA3 GLY 77 4.494 -5.949 10.589 518 H MET 78 H MET 78 3.821 -4.132 11.837 519 HA MET 78 HA MET 78 2.819 -1.760 10.392 520 HB2 MET 78 HB2 MET 78 2.789 -2.546 13.325 521 HB3 MET 78 HB3 MET 78 2.277 -0.990 12.681 522 HG2 MET 78 HG2 MET 78 0.253 -2.155 12.769 523 HG3 MET 78 HG3 MET 78 0.737 -2.316 11.093 524 HE1 MET 78 HE1 MET 78 -1.076 -5.658 11.473 525 HE2 MET 78 HE2 MET 78 -1.547 -4.074 12.131 526 HE3 MET 78 HE3 MET 78 -0.820 -4.180 10.510 527 H GLY 79 H GLY 79 4.051 -0.115 9.975 528 HA2 GLY 79 HA2 GLY 79 6.904 -0.071 10.644 529 HA3 GLY 79 HA3 GLY 79 6.040 1.046 9.602 Start of MODEL 15 1 H GLY 9 H GLY 9 -9.868 4.331 11.903 2 HA2 GLY 9 HA2 GLY 9 -9.366 3.529 14.733 3 HA3 GLY 9 HA3 GLY 9 -8.343 3.173 13.341 4 H THR 10 H THR 10 -6.528 4.094 14.154 5 HA THR 10 HA THR 10 -6.351 7.022 14.013 6 HB THR 10 HB THR 10 -6.619 6.467 16.369 7 HG1 THR 10 HG1 THR 10 -4.728 7.705 16.940 8 HG21 THR 10 HG21 THR 10 -3.844 5.218 16.149 9 HG22 THR 10 HG22 THR 10 -5.347 4.328 16.484 10 HG23 THR 10 HG23 THR 10 -4.756 5.524 17.644 11 H LEU 11 H LEU 11 -3.873 7.636 14.046 12 HA LEU 11 HA LEU 11 -3.129 6.457 11.571 13 HB2 LEU 11 HB2 LEU 11 -2.602 8.912 13.164 14 HB3 LEU 11 HB3 LEU 11 -1.296 8.442 12.130 15 HG LEU 11 HG LEU 11 -4.143 8.509 11.118 16 HD11 LEU 11 HD11 LEU 11 -2.300 10.869 10.805 17 HD12 LEU 11 HD12 LEU 11 -3.542 10.744 12.078 18 HD13 LEU 11 HD13 LEU 11 -4.034 10.690 10.386 19 HD21 LEU 11 HD21 LEU 11 -3.179 8.666 8.927 20 HD22 LEU 11 HD22 LEU 11 -2.324 7.366 9.758 21 HD23 LEU 11 HD23 LEU 11 -1.552 8.945 9.595 22 H CYS 12 H CYS 12 -1.645 5.179 10.984 23 HA CYS 12 HA CYS 12 0.942 5.027 12.295 24 HB2 CYS 12 HB2 CYS 12 -0.701 3.263 13.356 25 HB3 CYS 12 HB3 CYS 12 -0.498 2.420 11.804 26 HG CYS 12 HG CYS 12 1.858 3.431 13.939 27 H THR 13 H THR 13 2.421 3.808 10.968 28 HA THR 13 HA THR 13 1.873 3.688 8.028 29 HB THR 13 HB THR 13 4.288 2.731 9.574 30 HG1 THR 13 HG1 THR 13 4.066 5.166 8.187 31 HG21 THR 13 HG21 THR 13 3.906 3.331 6.614 32 HG22 THR 13 HG22 THR 13 4.201 1.736 7.351 33 HG23 THR 13 HG23 THR 13 5.466 2.971 7.389 34 H LEU 14 H LEU 14 1.166 1.791 7.108 35 HA LEU 14 HA LEU 14 2.020 -0.753 8.448 36 HB2 LEU 14 HB2 LEU 14 -0.418 -0.223 6.816 37 HB3 LEU 14 HB3 LEU 14 0.231 -1.842 7.028 38 HG LEU 14 HG LEU 14 0.049 -0.349 9.611 39 HD11 LEU 14 HD11 LEU 14 -2.370 -0.546 9.713 40 HD12 LEU 14 HD12 LEU 14 -2.369 -1.066 7.991 41 HD13 LEU 14 HD13 LEU 14 -1.799 0.574 8.450 42 HD21 LEU 14 HD21 LEU 14 -1.013 -2.404 10.392 43 HD22 LEU 14 HD22 LEU 14 0.486 -2.790 9.540 44 HD23 LEU 14 HD23 LEU 14 -1.090 -3.041 8.749 45 H GLU 15 H GLU 15 2.756 -2.318 7.242 46 HA GLU 15 HA GLU 15 4.217 -1.528 4.729 47 HB2 GLU 15 HB2 GLU 15 5.205 -3.350 6.965 48 HB3 GLU 15 HB3 GLU 15 6.059 -2.938 5.476 49 HG2 GLU 15 HG2 GLU 15 5.885 -0.495 6.226 50 HG3 GLU 15 HG3 GLU 15 5.391 -1.111 7.800 51 H PHE 16 H PHE 16 3.386 -2.586 3.019 52 HA PHE 16 HA PHE 16 2.571 -5.458 3.325 53 HB2 PHE 16 HB2 PHE 16 1.640 -3.339 1.370 54 HB3 PHE 16 HB3 PHE 16 1.253 -5.044 1.239 55 HD1 PHE 16 HD2 PHE 16 0.877 -2.086 3.506 56 HD2 PHE 16 HD1 PHE 16 -0.590 -6.007 2.417 57 HE1 PHE 16 HE2 PHE 16 -1.130 -1.729 4.918 58 HE2 PHE 16 HE1 PHE 16 -2.677 -5.557 3.692 59 HZ PHE 16 HZ PHE 16 -2.910 -3.479 4.995 60 H ALA 17 H ALA 17 3.135 -6.939 1.772 61 HA ALA 17 HA ALA 17 5.372 -6.266 -0.096 62 HB1 ALA 17 HB1 ALA 17 5.942 -8.673 0.155 63 HB2 ALA 17 HB2 ALA 17 5.992 -7.797 1.704 64 HB3 ALA 17 HB3 ALA 17 4.610 -8.845 1.333 65 H VAL 18 H VAL 18 5.016 -6.611 -2.263 66 HA VAL 18 HA VAL 18 2.427 -7.786 -3.168 67 HB VAL 18 HB VAL 18 2.022 -5.713 -4.516 68 HG11 VAL 18 HG11 VAL 18 1.081 -4.329 -2.726 69 HG12 VAL 18 HG12 VAL 18 0.714 -6.030 -2.461 70 HG13 VAL 18 HG13 VAL 18 1.984 -5.225 -1.501 71 HG21 VAL 18 HG21 VAL 18 4.067 -4.498 -2.647 72 HG22 VAL 18 HG22 VAL 18 4.293 -4.768 -4.388 73 HG23 VAL 18 HG23 VAL 18 3.017 -3.666 -3.808 74 H GLN 19 H GLN 19 2.208 -8.123 -5.444 75 HA GLN 19 HA GLN 19 4.809 -8.781 -6.707 76 HB2 GLN 19 HB2 GLN 19 1.923 -9.333 -7.411 77 HB3 GLN 19 HB3 GLN 19 3.231 -9.600 -8.570 78 HG2 GLN 19 HG2 GLN 19 4.384 -11.103 -6.984 79 HG3 GLN 19 HG3 GLN 19 3.105 -10.859 -5.805 80 HE21 GLN 19 HE21 GLN 19 2.275 -12.975 -5.711 81 HE22 GLN 19 HE22 GLN 19 1.572 -13.778 -7.107 82 H MET 20 H MET 20 5.689 -6.678 -6.919 83 HA MET 20 HA MET 20 5.317 -6.021 -9.751 84 HB2 MET 20 HB2 MET 20 5.740 -3.552 -9.253 85 HB3 MET 20 HB3 MET 20 4.119 -4.164 -8.932 86 HG2 MET 20 HG2 MET 20 4.452 -4.211 -6.581 87 HG3 MET 20 HG3 MET 20 6.194 -3.963 -6.737 88 HE1 MET 20 HE1 MET 20 5.520 -2.341 -4.766 89 HE2 MET 20 HE2 MET 20 4.612 -0.796 -4.952 90 HE3 MET 20 HE3 MET 20 3.768 -2.335 -5.099 91 H THR 21 H THR 21 7.230 -4.997 -10.695 92 HA THR 21 HA THR 21 9.776 -5.084 -9.199 93 HB THR 21 HB THR 21 9.467 -7.388 -9.802 94 HG1 THR 21 HG1 THR 21 11.535 -6.865 -9.922 95 HG21 THR 21 HG21 THR 21 9.492 -8.104 -12.193 96 HG22 THR 21 HG22 THR 21 9.103 -6.431 -12.646 97 HG23 THR 21 HG23 THR 21 7.988 -7.377 -11.620 98 H CYS 22 H CYS 22 7.946 -3.803 -11.891 99 HA CYS 22 HA CYS 22 10.331 -2.198 -12.650 100 HB2 CYS 22 HB2 CYS 22 10.121 -2.627 -14.828 101 HB3 CYS 22 HB3 CYS 22 9.579 -4.142 -14.181 102 H GLN 23 H GLN 23 9.690 -0.234 -14.022 103 HA GLN 23 HA GLN 23 8.788 1.461 -11.956 104 HB2 GLN 23 HB2 GLN 23 9.514 2.059 -14.838 105 HB3 GLN 23 HB3 GLN 23 9.181 3.303 -13.641 106 HG2 GLN 23 HG2 GLN 23 11.405 1.239 -13.485 107 HG3 GLN 23 HG3 GLN 23 11.585 2.958 -13.812 108 HE21 GLN 23 HE21 GLN 23 12.205 0.855 -11.444 109 HE22 GLN 23 HE22 GLN 23 11.827 1.853 -10.030 110 H SER 24 H SER 24 6.832 0.333 -14.656 111 HA SER 24 HA SER 24 4.874 2.496 -14.507 112 HB2 SER 24 HB2 SER 24 4.322 -0.324 -15.485 113 HB3 SER 24 HB3 SER 24 3.613 1.200 -16.052 114 HG SER 24 HG SER 24 5.746 1.755 -16.809 115 H CYS 25 H CYS 25 5.279 -0.521 -12.793 116 HA CYS 25 HA CYS 25 2.563 -0.681 -11.852 117 HB2 CYS 25 HB2 CYS 25 5.163 -2.132 -11.210 118 HB3 CYS 25 HB3 CYS 25 3.561 -2.645 -10.709 119 H VAL 26 H VAL 26 5.673 0.360 -10.483 120 HA VAL 26 HA VAL 26 5.152 1.094 -7.883 121 HB VAL 26 HB VAL 26 6.534 3.055 -9.770 122 HG11 VAL 26 HG11 VAL 26 6.528 3.333 -7.212 123 HG12 VAL 26 HG12 VAL 26 7.506 1.839 -7.184 124 HG13 VAL 26 HG13 VAL 26 8.116 3.271 -8.012 125 HG21 VAL 26 HG21 VAL 26 8.536 1.672 -9.687 126 HG22 VAL 26 HG22 VAL 26 7.513 0.330 -9.058 127 HG23 VAL 26 HG23 VAL 26 7.202 1.025 -10.656 128 H ASP 27 H ASP 27 4.675 3.226 -10.711 129 HA ASP 27 HA ASP 27 3.303 5.315 -9.398 130 HB2 ASP 27 HB2 ASP 27 4.430 5.161 -11.725 131 HB3 ASP 27 HB3 ASP 27 2.923 4.477 -12.292 132 H ALA 28 H ALA 28 2.124 2.367 -10.987 133 HA ALA 28 HA ALA 28 -0.663 3.217 -11.006 134 HB1 ALA 28 HB1 ALA 28 0.332 1.575 -12.574 135 HB2 ALA 28 HB2 ALA 28 0.541 0.430 -11.234 136 HB3 ALA 28 HB3 ALA 28 -1.093 0.933 -11.732 137 H VAL 29 H VAL 29 1.208 1.024 -8.838 138 HA VAL 29 HA VAL 29 -1.013 0.520 -7.156 139 HB VAL 29 HB VAL 29 1.966 0.135 -6.637 140 HG11 VAL 29 HG11 VAL 29 1.236 -1.575 -5.044 141 HG12 VAL 29 HG12 VAL 29 0.514 -0.018 -4.592 142 HG13 VAL 29 HG13 VAL 29 -0.463 -1.249 -5.448 143 HG21 VAL 29 HG21 VAL 29 1.032 -1.162 -8.674 144 HG22 VAL 29 HG22 VAL 29 1.653 -2.165 -7.362 145 HG23 VAL 29 HG23 VAL 29 -0.095 -1.920 -7.575 146 H ARG 30 H ARG 30 1.612 2.956 -7.040 147 HA ARG 30 HA ARG 30 0.993 4.159 -4.517 148 HB2 ARG 30 HB2 ARG 30 2.056 5.200 -7.191 149 HB3 ARG 30 HB3 ARG 30 1.744 6.306 -5.863 150 HG2 ARG 30 HG2 ARG 30 3.366 5.312 -4.459 151 HG3 ARG 30 HG3 ARG 30 3.513 3.893 -5.493 152 HD2 ARG 30 HD2 ARG 30 4.761 4.948 -7.134 153 HD3 ARG 30 HD3 ARG 30 4.252 6.589 -6.619 154 HE ARG 30 HE ARG 30 6.555 5.082 -5.742 155 HH11 ARG 30 HH11 ARG 30 4.367 7.553 -4.554 156 HH12 ARG 30 HH12 ARG 30 5.535 8.057 -3.369 157 HH21 ARG 30 HH21 ARG 30 7.834 5.673 -4.171 158 HH22 ARG 30 HH22 ARG 30 7.390 6.936 -3.021 159 H LYS 31 H LYS 31 -0.476 4.626 -7.759 160 HA LYS 31 HA LYS 31 -2.143 6.797 -6.837 161 HB2 LYS 31 HB2 LYS 31 -1.867 5.355 -9.456 162 HB3 LYS 31 HB3 LYS 31 -3.076 6.639 -9.169 163 HG2 LYS 31 HG2 LYS 31 -1.366 8.168 -8.359 164 HG3 LYS 31 HG3 LYS 31 -0.114 6.936 -8.515 165 HD2 LYS 31 HD2 LYS 31 -0.307 6.957 -10.939 166 HD3 LYS 31 HD3 LYS 31 -1.651 8.145 -10.861 167 HE2 LYS 31 HE2 LYS 31 -0.290 9.766 -9.747 168 HE3 LYS 31 HE3 LYS 31 0.946 8.575 -9.376 169 HZ1 LYS 31 HZ1 LYS 31 1.471 8.414 -11.750 170 HZ2 LYS 31 HZ2 LYS 31 1.711 9.939 -11.193 171 HZ3 LYS 31 HZ3 LYS 31 0.396 9.614 -12.125 172 H SER 32 H SER 32 -2.762 3.364 -6.930 173 HA SER 32 HA SER 32 -5.623 3.500 -6.497 174 HB2 SER 32 HB2 SER 32 -4.493 1.382 -6.840 175 HB3 SER 32 HB3 SER 32 -3.562 1.574 -5.334 176 HG SER 32 HG SER 32 -5.360 0.391 -4.715 177 H LEU 33 H LEU 33 -2.836 3.828 -4.281 178 HA LEU 33 HA LEU 33 -4.400 4.090 -1.863 179 HB2 LEU 33 HB2 LEU 33 -1.586 5.115 -2.275 180 HB3 LEU 33 HB3 LEU 33 -2.313 4.514 -0.794 181 HG LEU 33 HG LEU 33 -1.757 2.678 -3.137 182 HD11 LEU 33 HD11 LEU 33 0.178 3.203 -0.865 183 HD12 LEU 33 HD12 LEU 33 0.314 3.972 -2.453 184 HD13 LEU 33 HD13 LEU 33 0.398 2.221 -2.342 185 HD21 LEU 33 HD21 LEU 33 -1.586 0.992 -1.392 186 HD22 LEU 33 HD22 LEU 33 -3.184 1.767 -1.384 187 HD23 LEU 33 HD23 LEU 33 -1.973 2.205 -0.150 188 H GLN 34 H GLN 34 -2.904 6.457 -4.132 189 HA GLN 34 HA GLN 34 -2.771 8.533 -2.286 190 HB2 GLN 34 HB2 GLN 34 -1.314 8.243 -4.179 191 HB3 GLN 34 HB3 GLN 34 -2.663 8.380 -5.310 192 HG2 GLN 34 HG2 GLN 34 -3.017 10.678 -4.623 193 HG3 GLN 34 HG3 GLN 34 -1.618 10.615 -3.523 194 HE21 GLN 34 HE21 GLN 34 0.491 10.073 -4.666 195 HE22 GLN 34 HE22 GLN 34 0.600 10.504 -6.370 196 H GLY 35 H GLY 35 -4.136 9.997 -1.578 197 HA2 GLY 35 HA2 GLY 35 -6.029 11.310 -1.365 198 HA3 GLY 35 HA3 GLY 35 -6.460 10.917 -3.027 199 H VAL 36 H VAL 36 -6.107 8.118 -0.959 200 HA VAL 36 HA VAL 36 -8.907 7.460 -0.992 201 HB VAL 36 HB VAL 36 -6.448 6.270 0.314 202 HG11 VAL 36 HG11 VAL 36 -8.207 5.775 1.926 203 HG12 VAL 36 HG12 VAL 36 -9.283 5.206 0.625 204 HG13 VAL 36 HG13 VAL 36 -7.792 4.329 1.019 205 HG21 VAL 36 HG21 VAL 36 -8.433 5.170 -1.732 206 HG22 VAL 36 HG22 VAL 36 -6.885 5.925 -2.138 207 HG23 VAL 36 HG23 VAL 36 -6.907 4.417 -1.219 208 H ALA 37 H ALA 37 -10.334 7.562 0.509 209 HA ALA 37 HA ALA 37 -10.255 9.530 2.628 210 HB1 ALA 37 HB1 ALA 37 -12.229 7.268 2.103 211 HB2 ALA 37 HB2 ALA 37 -12.479 8.633 3.213 212 HB3 ALA 37 HB3 ALA 37 -12.328 8.927 1.472 213 H GLY 38 H GLY 38 -8.979 9.340 4.322 214 HA2 GLY 38 HA2 GLY 38 -8.567 8.491 6.533 215 HA3 GLY 38 HA3 GLY 38 -8.831 6.847 5.959 216 H VAL 39 H VAL 39 -6.872 8.590 3.720 217 HA VAL 39 HA VAL 39 -4.372 7.463 4.898 218 HB VAL 39 HB VAL 39 -5.308 6.802 2.548 219 HG11 VAL 39 HG11 VAL 39 -4.436 7.993 0.666 220 HG12 VAL 39 HG12 VAL 39 -5.364 9.158 1.617 221 HG13 VAL 39 HG13 VAL 39 -3.600 9.167 1.684 222 HG21 VAL 39 HG21 VAL 39 -3.011 6.318 1.810 223 HG22 VAL 39 HG22 VAL 39 -2.363 7.461 3.005 224 HG23 VAL 39 HG23 VAL 39 -3.205 5.991 3.536 225 H GLN 40 H GLN 40 -2.669 8.737 5.381 226 HA GLN 40 HA GLN 40 -2.970 11.685 5.003 227 HB2 GLN 40 HB2 GLN 40 -1.537 9.927 7.032 228 HB3 GLN 40 HB3 GLN 40 -1.273 11.655 6.915 229 HG2 GLN 40 HG2 GLN 40 -3.979 10.378 7.461 230 HG3 GLN 40 HG3 GLN 40 -2.865 11.106 8.627 231 HE21 GLN 40 HE21 GLN 40 -2.418 13.410 8.534 232 HE22 GLN 40 HE22 GLN 40 -3.653 14.458 7.835 233 H ASP 41 H ASP 41 -0.614 9.013 4.702 234 HA ASP 41 HA ASP 41 0.698 10.385 2.495 235 HB2 ASP 41 HB2 ASP 41 2.146 9.813 5.099 236 HB3 ASP 41 HB3 ASP 41 3.001 9.834 3.606 237 H VAL 42 H VAL 42 2.282 8.979 1.493 238 HA VAL 42 HA VAL 42 2.144 6.073 2.020 239 HB VAL 42 HB VAL 42 1.528 5.496 -0.205 240 HG11 VAL 42 HG11 VAL 42 -0.591 7.382 0.880 241 HG12 VAL 42 HG12 VAL 42 -0.846 6.046 -0.232 242 HG13 VAL 42 HG13 VAL 42 -0.304 5.711 1.423 243 HG21 VAL 42 HG21 VAL 42 0.972 8.400 -0.864 244 HG22 VAL 42 HG22 VAL 42 2.274 7.406 -1.556 245 HG23 VAL 42 HG23 VAL 42 0.599 7.002 -1.894 246 H GLU 43 H GLU 43 3.850 4.890 1.026 247 HA GLU 43 HA GLU 43 5.593 6.244 -0.911 248 HB2 GLU 43 HB2 GLU 43 6.373 6.299 1.612 249 HB3 GLU 43 HB3 GLU 43 6.643 4.573 1.378 250 HG2 GLU 43 HG2 GLU 43 8.598 5.596 0.985 251 HG3 GLU 43 HG3 GLU 43 8.071 5.161 -0.639 252 H VAL 44 H VAL 44 6.493 4.732 -2.385 253 HA VAL 44 HA VAL 44 5.903 1.846 -1.901 254 HB VAL 44 HB VAL 44 5.871 3.338 -4.498 255 HG11 VAL 44 HG11 VAL 44 7.465 1.575 -4.966 256 HG12 VAL 44 HG12 VAL 44 6.401 0.361 -4.209 257 HG13 VAL 44 HG13 VAL 44 5.887 1.220 -5.691 258 HG21 VAL 44 HG21 VAL 44 3.756 2.751 -3.262 259 HG22 VAL 44 HG22 VAL 44 3.876 1.887 -4.816 260 HG23 VAL 44 HG23 VAL 44 4.262 1.040 -3.329 261 H HIS 45 H HIS 45 7.453 0.456 -1.954 262 HA HIS 45 HA HIS 45 10.228 1.398 -2.464 263 HB2 HIS 45 HB2 HIS 45 9.223 -0.507 -0.302 264 HB3 HIS 45 HB3 HIS 45 10.904 -0.365 -0.783 265 HD1 HIS 45 HD1 HIS 45 12.275 1.668 0.116 266 HD2 HIS 45 HD2 HIS 45 8.148 1.835 0.843 267 HE1 HIS 45 HE1 HIS 45 11.924 3.571 1.781 268 H LEU 46 H LEU 46 9.791 0.820 -4.621 269 HA LEU 46 HA LEU 46 9.001 -1.713 -5.570 270 HB2 LEU 46 HB2 LEU 46 9.286 0.504 -6.746 271 HB3 LEU 46 HB3 LEU 46 11.008 0.290 -6.743 272 HG LEU 46 HG LEU 46 9.731 -0.149 -8.882 273 HD11 LEU 46 HD11 LEU 46 11.494 -2.441 -8.075 274 HD12 LEU 46 HD12 LEU 46 12.073 -0.818 -8.520 275 HD13 LEU 46 HD13 LEU 46 11.180 -1.789 -9.690 276 HD21 LEU 46 HD21 LEU 46 8.671 -2.248 -9.278 277 HD22 LEU 46 HD22 LEU 46 7.923 -1.572 -7.825 278 HD23 LEU 46 HD23 LEU 46 9.124 -2.876 -7.678 279 H GLU 47 H GLU 47 12.068 -0.535 -4.417 280 HA GLU 47 HA GLU 47 13.816 -2.668 -5.266 281 HB2 GLU 47 HB2 GLU 47 14.251 -0.861 -2.877 282 HB3 GLU 47 HB3 GLU 47 15.444 -1.711 -3.843 283 HG2 GLU 47 HG2 GLU 47 15.602 0.515 -4.531 284 HG3 GLU 47 HG3 GLU 47 14.753 -0.304 -5.835 285 H ASP 48 H ASP 48 11.539 -2.507 -2.624 286 HA ASP 48 HA ASP 48 12.548 -5.109 -1.596 287 HB2 ASP 48 HB2 ASP 48 11.708 -2.639 -0.215 288 HB3 ASP 48 HB3 ASP 48 10.693 -3.950 0.238 289 H GLN 49 H GLN 49 10.472 -4.017 -3.779 290 HA GLN 49 HA GLN 49 8.341 -4.262 -4.477 291 HB2 GLN 49 HB2 GLN 49 8.429 -7.106 -3.529 292 HB3 GLN 49 HB3 GLN 49 7.545 -6.408 -4.881 293 HG2 GLN 49 HG2 GLN 49 9.297 -7.455 -6.024 294 HG3 GLN 49 HG3 GLN 49 9.838 -5.799 -5.920 295 HE21 GLN 49 HE21 GLN 49 12.127 -6.101 -5.844 296 HE22 GLN 49 HE22 GLN 49 12.891 -7.098 -4.612 297 H MET 50 H MET 50 8.477 -3.011 -2.117 298 HA MET 50 HA MET 50 6.226 -4.039 -0.498 299 HB2 MET 50 HB2 MET 50 8.172 -4.226 0.772 300 HB3 MET 50 HB3 MET 50 8.814 -2.683 0.232 301 HG2 MET 50 HG2 MET 50 7.527 -1.420 1.670 302 HG3 MET 50 HG3 MET 50 6.329 -2.669 1.953 303 HE1 MET 50 HE1 MET 50 7.828 -5.275 2.729 304 HE2 MET 50 HE2 MET 50 7.799 -5.054 4.490 305 HE3 MET 50 HE3 MET 50 6.389 -4.572 3.520 306 H VAL 51 H VAL 51 4.848 -2.513 0.555 307 HA VAL 51 HA VAL 51 4.801 0.244 -0.554 308 HB VAL 51 HB VAL 51 2.239 -1.344 -0.075 309 HG11 VAL 51 HG11 VAL 51 2.006 1.082 -0.170 310 HG12 VAL 51 HG12 VAL 51 3.081 1.159 -1.578 311 HG13 VAL 51 HG13 VAL 51 1.471 0.422 -1.736 312 HG21 VAL 51 HG21 VAL 51 2.082 -1.609 -2.547 313 HG22 VAL 51 HG22 VAL 51 3.797 -1.137 -2.669 314 HG23 VAL 51 HG23 VAL 51 3.319 -2.597 -1.775 315 H LEU 52 H LEU 52 4.473 1.818 0.892 316 HA LEU 52 HA LEU 52 3.738 1.104 3.685 317 HB2 LEU 52 HB2 LEU 52 5.731 3.060 2.595 318 HB3 LEU 52 HB3 LEU 52 4.833 3.474 4.058 319 HG LEU 52 HG LEU 52 5.652 1.426 5.156 320 HD11 LEU 52 HD11 LEU 52 7.266 0.948 2.644 321 HD12 LEU 52 HD12 LEU 52 6.054 -0.126 3.379 322 HD13 LEU 52 HD13 LEU 52 7.578 0.170 4.211 323 HD21 LEU 52 HD21 LEU 52 6.897 3.566 5.345 324 HD22 LEU 52 HD22 LEU 52 7.888 3.102 3.946 325 HD23 LEU 52 HD23 LEU 52 7.975 2.165 5.454 326 H VAL 53 H VAL 53 2.043 1.999 4.523 327 HA VAL 53 HA VAL 53 0.627 4.236 3.140 328 HB VAL 53 HB VAL 53 -0.737 1.719 4.181 329 HG11 VAL 53 HG11 VAL 53 -1.745 4.007 2.432 330 HG12 VAL 53 HG12 VAL 53 -2.689 2.617 3.009 331 HG13 VAL 53 HG13 VAL 53 -2.094 3.816 4.162 332 HG21 VAL 53 HG21 VAL 53 -1.181 1.170 1.808 333 HG22 VAL 53 HG22 VAL 53 -0.038 2.451 1.325 334 HG23 VAL 53 HG23 VAL 53 0.519 1.030 2.233 335 H HIS 54 H HIS 54 0.774 5.836 4.561 336 HA HIS 54 HA HIS 54 0.539 5.436 7.475 337 HB2 HIS 54 HB2 HIS 54 0.890 7.964 5.838 338 HB3 HIS 54 HB3 HIS 54 0.948 7.868 7.568 339 HD1 HIS 54 HD1 HIS 54 3.335 7.738 8.508 340 HD2 HIS 54 HD2 HIS 54 2.979 6.355 4.550 341 HE1 HIS 54 HE1 HIS 54 5.699 7.237 7.709 342 H THR 55 H THR 55 -1.528 4.949 8.113 343 HA THR 55 HA THR 55 -3.845 6.590 7.172 344 HB THR 55 HB THR 55 -3.496 4.910 5.472 345 HG1 THR 55 HG1 THR 55 -5.626 5.513 6.152 346 HG21 THR 55 HG21 THR 55 -4.005 2.777 7.595 347 HG22 THR 55 HG22 THR 55 -2.440 3.068 6.806 348 HG23 THR 55 HG23 THR 55 -3.826 2.525 5.849 349 H THR 56 H THR 56 -5.792 6.291 8.310 350 HA THR 56 HA THR 56 -5.689 4.908 10.925 351 HB THR 56 HB THR 56 -7.913 5.843 11.311 352 HG1 THR 56 HG1 THR 56 -8.459 7.526 9.626 353 HG21 THR 56 HG21 THR 56 -6.181 8.052 10.184 354 HG22 THR 56 HG22 THR 56 -5.775 7.167 11.668 355 HG23 THR 56 HG23 THR 56 -7.281 8.093 11.585 356 H LEU 57 H LEU 57 -6.483 3.947 7.776 357 HA LEU 57 HA LEU 57 -8.813 2.353 8.255 358 HB2 LEU 57 HB2 LEU 57 -6.642 2.188 6.123 359 HB3 LEU 57 HB3 LEU 57 -8.158 1.309 6.042 360 HG LEU 57 HG LEU 57 -7.885 4.356 5.997 361 HD11 LEU 57 HD11 LEU 57 -7.086 3.238 3.950 362 HD12 LEU 57 HD12 LEU 57 -8.585 4.132 3.666 363 HD13 LEU 57 HD13 LEU 57 -8.625 2.354 3.823 364 HD21 LEU 57 HD21 LEU 57 -10.327 2.570 5.752 365 HD22 LEU 57 HD22 LEU 57 -10.291 4.307 5.355 366 HD23 LEU 57 HD23 LEU 57 -10.002 3.773 7.004 367 HA PRO 58 HA PRO 58 -6.909 -1.319 9.954 368 HB2 PRO 58 HB2 PRO 58 -9.009 -3.054 8.852 369 HB3 PRO 58 HB3 PRO 58 -8.765 -2.559 10.549 370 HG2 PRO 58 HG2 PRO 58 -10.915 -1.683 9.047 371 HG3 PRO 58 HG3 PRO 58 -10.129 -0.644 10.285 372 HD2 PRO 58 HD2 PRO 58 -9.510 -0.774 7.328 373 HD3 PRO 58 HD3 PRO 58 -10.010 0.652 8.202 374 H SER 59 H SER 59 -5.450 -2.987 9.180 375 HA SER 59 HA SER 59 -4.706 -2.752 6.481 376 HB2 SER 59 HB2 SER 59 -3.516 -5.088 6.966 377 HB3 SER 59 HB3 SER 59 -2.919 -3.524 7.458 378 HG SER 59 HG SER 59 -3.814 -3.910 9.560 379 H GLN 60 H GLN 60 -7.177 -4.912 7.666 380 HA GLN 60 HA GLN 60 -7.318 -6.644 5.382 381 HB2 GLN 60 HB2 GLN 60 -9.708 -5.704 6.978 382 HB3 GLN 60 HB3 GLN 60 -9.507 -7.200 6.073 383 HG2 GLN 60 HG2 GLN 60 -9.204 -7.946 8.261 384 HG3 GLN 60 HG3 GLN 60 -7.544 -7.675 7.776 385 HE21 GLN 60 HE21 GLN 60 -6.415 -6.445 9.237 386 HE22 GLN 60 HE22 GLN 60 -7.216 -5.561 10.537 387 H GLU 61 H GLU 61 -8.377 -3.308 5.869 388 HA GLU 61 HA GLU 61 -10.036 -3.176 3.440 389 HB2 GLU 61 HB2 GLU 61 -10.382 -1.964 5.668 390 HB3 GLU 61 HB3 GLU 61 -9.014 -0.922 5.210 391 HG2 GLU 61 HG2 GLU 61 -10.162 -0.169 3.245 392 HG3 GLU 61 HG3 GLU 61 -11.495 -1.315 3.549 393 H VAL 62 H VAL 62 -6.812 -2.079 4.539 394 HA VAL 62 HA VAL 62 -6.041 -0.779 2.138 395 HB VAL 62 HB VAL 62 -4.272 -1.996 4.272 396 HG11 VAL 62 HG11 VAL 62 -2.730 -0.154 3.629 397 HG12 VAL 62 HG12 VAL 62 -3.068 -1.231 2.272 398 HG13 VAL 62 HG13 VAL 62 -3.881 0.344 2.365 399 HG21 VAL 62 HG21 VAL 62 -5.886 -0.487 5.396 400 HG22 VAL 62 HG22 VAL 62 -4.251 0.130 5.432 401 HG23 VAL 62 HG23 VAL 62 -5.431 0.815 4.280 402 H GLN 63 H GLN 63 -5.562 -4.158 3.341 403 HA GLN 63 HA GLN 63 -4.013 -5.141 1.202 404 HB2 GLN 63 HB2 GLN 63 -4.599 -6.518 3.186 405 HB3 GLN 63 HB3 GLN 63 -6.276 -6.571 2.656 406 HG2 GLN 63 HG2 GLN 63 -5.523 -7.718 0.520 407 HG3 GLN 63 HG3 GLN 63 -3.856 -7.668 1.138 408 HE21 GLN 63 HE21 GLN 63 -3.396 -9.850 1.456 409 HE22 GLN 63 HE22 GLN 63 -4.415 -10.893 2.443 410 H ALA 64 H ALA 64 -7.588 -4.594 1.240 411 HA ALA 64 HA ALA 64 -7.840 -5.799 -1.409 412 HB1 ALA 64 HB1 ALA 64 -9.777 -4.257 0.387 413 HB2 ALA 64 HB2 ALA 64 -10.228 -5.090 -1.118 414 HB3 ALA 64 HB3 ALA 64 -9.614 -6.018 0.270 415 H LEU 65 H LEU 65 -7.389 -2.552 -0.037 416 HA LEU 65 HA LEU 65 -7.877 -1.028 -2.416 417 HB2 LEU 65 HB2 LEU 65 -6.263 -0.576 0.070 418 HB3 LEU 65 HB3 LEU 65 -6.210 0.546 -1.247 419 HG LEU 65 HG LEU 65 -8.821 -0.299 0.124 420 HD11 LEU 65 HD11 LEU 65 -7.440 0.801 1.772 421 HD12 LEU 65 HD12 LEU 65 -8.683 1.926 1.238 422 HD13 LEU 65 HD13 LEU 65 -7.019 2.096 0.621 423 HD21 LEU 65 HD21 LEU 65 -9.644 1.863 -0.872 424 HD22 LEU 65 HD22 LEU 65 -9.224 0.652 -2.076 425 HD23 LEU 65 HD23 LEU 65 -8.111 2.004 -1.756 426 H LEU 66 H LEU 66 -5.051 -2.661 -1.142 427 HA LEU 66 HA LEU 66 -3.257 -2.147 -3.353 428 HB2 LEU 66 HB2 LEU 66 -3.286 -4.186 -1.101 429 HB3 LEU 66 HB3 LEU 66 -1.961 -4.049 -2.241 430 HG LEU 66 HG LEU 66 -2.842 -1.572 -0.712 431 HD11 LEU 66 HD11 LEU 66 -2.599 -3.247 1.049 432 HD12 LEU 66 HD12 LEU 66 -1.222 -2.158 1.065 433 HD13 LEU 66 HD13 LEU 66 -1.051 -3.783 0.353 434 HD21 LEU 66 HD21 LEU 66 -0.141 -2.577 -1.701 435 HD22 LEU 66 HD22 LEU 66 -0.457 -1.021 -0.917 436 HD23 LEU 66 HD23 LEU 66 -1.153 -1.360 -2.514 437 H GLU 67 H GLU 67 -5.206 -5.117 -2.541 438 HA GLU 67 HA GLU 67 -4.457 -6.559 -4.872 439 HB2 GLU 67 HB2 GLU 67 -6.573 -6.739 -2.785 440 HB3 GLU 67 HB3 GLU 67 -6.947 -7.587 -4.227 441 HG2 GLU 67 HG2 GLU 67 -4.151 -8.067 -3.277 442 HG3 GLU 67 HG3 GLU 67 -5.361 -8.461 -2.081 443 H GLY 68 H GLY 68 -6.960 -4.068 -4.560 444 HA2 GLY 68 HA2 GLY 68 -8.254 -4.369 -7.062 445 HA3 GLY 68 HA3 GLY 68 -8.036 -2.853 -6.182 446 H THR 69 H THR 69 -4.942 -3.609 -6.606 447 HA THR 69 HA THR 69 -4.581 -2.102 -9.116 448 HB THR 69 HB THR 69 -2.215 -2.014 -8.498 449 HG1 THR 69 HG1 THR 69 -2.808 -3.597 -6.266 450 HG21 THR 69 HG21 THR 69 -2.384 -0.919 -6.328 451 HG22 THR 69 HG22 THR 69 -4.027 -1.512 -6.117 452 HG23 THR 69 HG23 THR 69 -3.637 -0.421 -7.468 453 H GLY 70 H GLY 70 -5.247 -5.268 -8.559 454 HA2 GLY 70 HA2 GLY 70 -5.328 -7.015 -10.082 455 HA3 GLY 70 HA3 GLY 70 -4.256 -6.143 -11.180 456 H ARG 71 H ARG 71 -3.450 -6.738 -7.771 457 HA ARG 71 HA ARG 71 -1.292 -8.638 -8.500 458 HB2 ARG 71 HB2 ARG 71 -1.128 -6.125 -6.783 459 HB3 ARG 71 HB3 ARG 71 0.208 -7.242 -7.107 460 HG2 ARG 71 HG2 ARG 71 0.220 -6.664 -9.463 461 HG3 ARG 71 HG3 ARG 71 -1.242 -5.676 -9.292 462 HD2 ARG 71 HD2 ARG 71 -0.048 -4.241 -7.646 463 HD3 ARG 71 HD3 ARG 71 1.421 -5.110 -8.037 464 HE ARG 71 HE ARG 71 -0.053 -3.165 -9.700 465 HH11 ARG 71 HH11 ARG 71 2.383 -5.715 -9.945 466 HH12 ARG 71 HH12 ARG 71 2.766 -5.251 -11.587 467 HH21 ARG 71 HH21 ARG 71 0.421 -2.693 -11.671 468 HH22 ARG 71 HH22 ARG 71 1.850 -3.393 -12.437 469 H GLN 72 H GLN 72 -0.465 -9.843 -6.856 470 HA GLN 72 HA GLN 72 -2.026 -10.503 -4.511 471 HB2 GLN 72 HB2 GLN 72 -0.412 -11.996 -5.708 472 HB3 GLN 72 HB3 GLN 72 0.913 -11.011 -5.062 473 HG2 GLN 72 HG2 GLN 72 -0.582 -11.720 -2.805 474 HG3 GLN 72 HG3 GLN 72 -0.769 -13.126 -3.819 475 HE21 GLN 72 HE21 GLN 72 0.426 -13.067 -1.325 476 HE22 GLN 72 HE22 GLN 72 2.145 -13.477 -1.475 477 H ALA 73 H ALA 73 -1.627 -10.017 -2.489 478 HA ALA 73 HA ALA 73 0.241 -7.880 -1.531 479 HB1 ALA 73 HB1 ALA 73 -1.609 -6.521 -0.699 480 HB2 ALA 73 HB2 ALA 73 -1.749 -6.712 -2.466 481 HB3 ALA 73 HB3 ALA 73 -2.788 -7.665 -1.381 482 H VAL 74 H VAL 74 1.079 -8.572 0.260 483 HA VAL 74 HA VAL 74 -0.548 -9.991 2.356 484 HB VAL 74 HB VAL 74 2.356 -10.359 1.522 485 HG11 VAL 74 HG11 VAL 74 0.907 -11.516 3.951 486 HG12 VAL 74 HG12 VAL 74 2.475 -12.083 3.340 487 HG13 VAL 74 HG13 VAL 74 2.328 -10.446 3.971 488 HG21 VAL 74 HG21 VAL 74 0.631 -11.621 0.220 489 HG22 VAL 74 HG22 VAL 74 1.721 -12.679 1.134 490 HG23 VAL 74 HG23 VAL 74 0.081 -12.364 1.733 491 H LEU 75 H LEU 75 -0.596 -8.949 4.303 492 HA LEU 75 HA LEU 75 1.105 -6.550 4.684 493 HB2 LEU 75 HB2 LEU 75 -1.270 -6.549 5.290 494 HB3 LEU 75 HB3 LEU 75 -1.056 -7.861 6.363 495 HG LEU 75 HG LEU 75 -1.252 -5.441 7.232 496 HD11 LEU 75 HD11 LEU 75 -0.859 -7.264 8.718 497 HD12 LEU 75 HD12 LEU 75 -0.009 -5.802 9.220 498 HD13 LEU 75 HD13 LEU 75 0.883 -7.153 8.447 499 HD21 LEU 75 HD21 LEU 75 1.659 -5.182 6.914 500 HD22 LEU 75 HD22 LEU 75 0.497 -4.027 7.496 501 HD23 LEU 75 HD23 LEU 75 0.492 -4.471 5.787 502 H LYS 76 H LYS 76 2.795 -6.391 5.767 503 HA LYS 76 HA LYS 76 4.089 -8.774 6.995 504 HB2 LYS 76 HB2 LYS 76 5.284 -6.049 6.354 505 HB3 LYS 76 HB3 LYS 76 6.173 -7.489 6.805 506 HG2 LYS 76 HG2 LYS 76 4.451 -7.358 4.274 507 HG3 LYS 76 HG3 LYS 76 6.113 -6.838 4.308 508 HD2 LYS 76 HD2 LYS 76 5.429 -9.627 5.275 509 HD3 LYS 76 HD3 LYS 76 5.540 -9.270 3.549 510 HE2 LYS 76 HE2 LYS 76 7.816 -8.289 3.895 511 HE3 LYS 76 HE3 LYS 76 7.740 -8.750 5.599 512 HZ1 LYS 76 HZ1 LYS 76 7.606 -11.039 4.943 513 HZ2 LYS 76 HZ2 LYS 76 8.919 -10.330 4.205 514 HZ3 LYS 76 HZ3 LYS 76 7.572 -10.651 3.327 515 H GLY 77 H GLY 77 3.005 -5.537 7.899 516 HA2 GLY 77 HA2 GLY 77 2.142 -5.743 10.369 517 HA3 GLY 77 HA3 GLY 77 3.890 -5.764 10.695 518 H MET 78 H MET 78 3.574 -3.818 11.856 519 HA MET 78 HA MET 78 2.722 -1.378 10.461 520 HB2 MET 78 HB2 MET 78 3.207 -2.102 13.342 521 HB3 MET 78 HB3 MET 78 3.032 -0.419 12.819 522 HG2 MET 78 HG2 MET 78 0.880 -0.793 11.882 523 HG3 MET 78 HG3 MET 78 1.073 -2.543 11.948 524 HE1 MET 78 HE1 MET 78 -1.549 -1.423 12.622 525 HE2 MET 78 HE2 MET 78 -0.949 -3.090 12.613 526 HE3 MET 78 HE3 MET 78 -1.901 -2.496 14.009 527 H GLY 79 H GLY 79 3.957 0.370 10.225 528 HA2 GLY 79 HA2 GLY 79 6.956 -0.021 10.237 529 HA3 GLY 79 HA3 GLY 79 6.070 0.911 9.048 Start of MODEL 16 1 H GLY 9 H GLY 9 -10.445 5.970 12.109 2 HA2 GLY 9 HA2 GLY 9 -10.177 4.365 14.601 3 HA3 GLY 9 HA3 GLY 9 -9.259 3.867 13.180 4 H THR 10 H THR 10 -7.242 4.305 13.796 5 HA THR 10 HA THR 10 -6.441 7.113 14.118 6 HB THR 10 HB THR 10 -6.676 6.261 16.349 7 HG1 THR 10 HG1 THR 10 -4.871 6.980 17.069 8 HG21 THR 10 HG21 THR 10 -6.276 3.850 16.041 9 HG22 THR 10 HG22 THR 10 -5.170 4.500 17.261 10 HG23 THR 10 HG23 THR 10 -4.585 4.159 15.616 11 H LEU 11 H LEU 11 -4.416 7.647 13.497 12 HA LEU 11 HA LEU 11 -3.755 6.152 11.191 13 HB2 LEU 11 HB2 LEU 11 -3.355 8.753 11.727 14 HB3 LEU 11 HB3 LEU 11 -1.742 8.166 12.119 15 HG LEU 11 HG LEU 11 -2.181 6.825 9.766 16 HD11 LEU 11 HD11 LEU 11 -4.301 7.847 9.280 17 HD12 LEU 11 HD12 LEU 11 -3.105 8.506 8.146 18 HD13 LEU 11 HD13 LEU 11 -3.630 9.465 9.539 19 HD21 LEU 11 HD21 LEU 11 -1.014 9.580 9.980 20 HD22 LEU 11 HD22 LEU 11 -0.901 8.459 8.587 21 HD23 LEU 11 HD23 LEU 11 -0.177 8.021 10.149 22 H CYS 12 H CYS 12 -2.264 4.776 10.657 23 HA CYS 12 HA CYS 12 0.020 4.039 12.400 24 HB2 CYS 12 HB2 CYS 12 -2.233 2.244 11.412 25 HB3 CYS 12 HB3 CYS 12 -0.674 1.626 12.014 26 HG CYS 12 HG CYS 12 -3.049 3.363 13.524 27 H THR 13 H THR 13 1.802 3.300 11.221 28 HA THR 13 HA THR 13 1.657 3.415 8.231 29 HB THR 13 HB THR 13 4.008 3.045 10.110 30 HG1 THR 13 HG1 THR 13 4.485 5.131 9.478 31 HG21 THR 13 HG21 THR 13 3.903 3.446 7.079 32 HG22 THR 13 HG22 THR 13 4.439 1.962 7.906 33 HG23 THR 13 HG23 THR 13 5.375 3.455 8.070 34 H LEU 14 H LEU 14 1.033 1.637 7.238 35 HA LEU 14 HA LEU 14 1.686 -1.076 8.321 36 HB2 LEU 14 HB2 LEU 14 -0.372 0.044 6.415 37 HB3 LEU 14 HB3 LEU 14 0.085 -1.654 6.361 38 HG LEU 14 HG LEU 14 -0.778 -2.160 8.457 39 HD11 LEU 14 HD11 LEU 14 -0.019 -0.305 9.819 40 HD12 LEU 14 HD12 LEU 14 -1.749 -0.557 10.038 41 HD13 LEU 14 HD13 LEU 14 -1.176 0.797 9.026 42 HD21 LEU 14 HD21 LEU 14 -2.661 -0.117 7.216 43 HD22 LEU 14 HD22 LEU 14 -3.121 -1.431 8.314 44 HD23 LEU 14 HD23 LEU 14 -2.482 -1.817 6.708 45 H GLU 15 H GLU 15 3.285 -2.178 7.498 46 HA GLU 15 HA GLU 15 4.549 -1.524 4.884 47 HB2 GLU 15 HB2 GLU 15 5.372 -3.337 7.187 48 HB3 GLU 15 HB3 GLU 15 6.268 -3.167 5.673 49 HG2 GLU 15 HG2 GLU 15 6.620 -0.776 6.114 50 HG3 GLU 15 HG3 GLU 15 5.725 -0.900 7.636 51 H PHE 16 H PHE 16 3.546 -2.488 3.178 52 HA PHE 16 HA PHE 16 2.681 -5.360 3.408 53 HB2 PHE 16 HB2 PHE 16 1.799 -3.156 1.524 54 HB3 PHE 16 HB3 PHE 16 1.437 -4.848 1.267 55 HD1 PHE 16 HD2 PHE 16 0.740 -1.938 3.454 56 HD2 PHE 16 HD1 PHE 16 -0.265 -6.026 2.534 57 HE1 PHE 16 HE2 PHE 16 -1.416 -1.691 4.655 58 HE2 PHE 16 HE1 PHE 16 -2.476 -5.737 3.643 59 HZ PHE 16 HZ PHE 16 -2.997 -3.622 4.792 60 H ALA 17 H ALA 17 3.524 -6.891 2.154 61 HA ALA 17 HA ALA 17 5.577 -6.240 0.099 62 HB1 ALA 17 HB1 ALA 17 6.111 -7.922 1.842 63 HB2 ALA 17 HB2 ALA 17 4.715 -8.891 1.325 64 HB3 ALA 17 HB3 ALA 17 6.084 -8.616 0.198 65 H VAL 18 H VAL 18 5.039 -6.329 -2.027 66 HA VAL 18 HA VAL 18 2.352 -7.395 -2.836 67 HB VAL 18 HB VAL 18 2.159 -5.303 -4.252 68 HG11 VAL 18 HG11 VAL 18 0.846 -5.526 -2.183 69 HG12 VAL 18 HG12 VAL 18 2.182 -4.838 -1.231 70 HG13 VAL 18 HG13 VAL 18 1.338 -3.858 -2.445 71 HG21 VAL 18 HG21 VAL 18 4.547 -4.653 -4.091 72 HG22 VAL 18 HG22 VAL 18 3.387 -3.366 -3.674 73 HG23 VAL 18 HG23 VAL 18 4.292 -4.207 -2.395 74 H GLN 19 H GLN 19 2.049 -7.784 -5.092 75 HA GLN 19 HA GLN 19 4.557 -8.804 -6.315 76 HB2 GLN 19 HB2 GLN 19 2.655 -10.266 -6.022 77 HB3 GLN 19 HB3 GLN 19 1.622 -9.192 -6.970 78 HG2 GLN 19 HG2 GLN 19 2.978 -9.696 -8.998 79 HG3 GLN 19 HG3 GLN 19 4.036 -10.723 -8.014 80 HE21 GLN 19 HE21 GLN 19 3.274 -12.807 -7.363 81 HE22 GLN 19 HE22 GLN 19 1.660 -13.388 -7.706 82 H MET 20 H MET 20 5.535 -6.815 -6.938 83 HA MET 20 HA MET 20 4.898 -6.231 -9.716 84 HB2 MET 20 HB2 MET 20 5.074 -3.745 -9.400 85 HB3 MET 20 HB3 MET 20 3.584 -4.453 -8.763 86 HG2 MET 20 HG2 MET 20 4.629 -4.449 -6.474 87 HG3 MET 20 HG3 MET 20 6.029 -3.614 -7.162 88 HE1 MET 20 HE1 MET 20 5.837 -1.332 -5.532 89 HE2 MET 20 HE2 MET 20 4.206 -1.152 -4.818 90 HE3 MET 20 HE3 MET 20 5.045 -2.738 -4.867 91 H THR 21 H THR 21 6.714 -5.590 -10.870 92 HA THR 21 HA THR 21 9.344 -5.558 -9.436 93 HB THR 21 HB THR 21 8.736 -7.853 -9.800 94 HG1 THR 21 HG1 THR 21 10.492 -8.481 -11.191 95 HG21 THR 21 HG21 THR 21 8.627 -7.254 -12.773 96 HG22 THR 21 HG22 THR 21 7.256 -7.692 -11.720 97 HG23 THR 21 HG23 THR 21 8.541 -8.862 -12.003 98 H CYS 22 H CYS 22 7.502 -4.126 -11.844 99 HA CYS 22 HA CYS 22 9.933 -2.776 -12.805 100 HB2 CYS 22 HB2 CYS 22 9.587 -3.003 -14.960 101 HB3 CYS 22 HB3 CYS 22 8.858 -4.481 -14.470 102 H GLN 23 H GLN 23 9.655 -0.629 -13.503 103 HA GLN 23 HA GLN 23 8.696 0.849 -11.338 104 HB2 GLN 23 HB2 GLN 23 10.649 1.265 -12.965 105 HB3 GLN 23 HB3 GLN 23 9.456 1.951 -14.060 106 HG2 GLN 23 HG2 GLN 23 10.426 3.793 -12.923 107 HG3 GLN 23 HG3 GLN 23 8.841 3.584 -12.205 108 HE21 GLN 23 HE21 GLN 23 9.212 4.382 -10.154 109 HE22 GLN 23 HE22 GLN 23 10.436 3.757 -9.043 110 H SER 24 H SER 24 7.146 0.523 -14.584 111 HA SER 24 HA SER 24 5.182 2.555 -14.258 112 HB2 SER 24 HB2 SER 24 4.979 -0.093 -15.754 113 HB3 SER 24 HB3 SER 24 3.863 1.273 -15.934 114 HG SER 24 HG SER 24 5.454 1.226 -17.526 115 H CYS 25 H CYS 25 5.115 -0.768 -12.933 116 HA CYS 25 HA CYS 25 2.361 -0.541 -12.067 117 HB2 CYS 25 HB2 CYS 25 4.603 -2.403 -11.213 118 HB3 CYS 25 HB3 CYS 25 2.883 -2.611 -10.878 119 H VAL 26 H VAL 26 5.522 0.263 -10.691 120 HA VAL 26 HA VAL 26 4.521 0.880 -8.025 121 HB VAL 26 HB VAL 26 7.082 1.027 -9.558 122 HG11 VAL 26 HG11 VAL 26 7.152 3.339 -8.735 123 HG12 VAL 26 HG12 VAL 26 6.824 2.759 -7.076 124 HG13 VAL 26 HG13 VAL 26 8.313 2.270 -7.939 125 HG21 VAL 26 HG21 VAL 26 7.757 0.052 -7.336 126 HG22 VAL 26 HG22 VAL 26 6.113 0.385 -6.781 127 HG23 VAL 26 HG23 VAL 26 6.364 -0.768 -8.110 128 H ASP 27 H ASP 27 5.139 2.909 -10.856 129 HA ASP 27 HA ASP 27 3.988 5.312 -9.832 130 HB2 ASP 27 HB2 ASP 27 5.152 4.492 -12.166 131 HB3 ASP 27 HB3 ASP 27 3.473 4.300 -12.611 132 H ALA 28 H ALA 28 2.536 2.278 -10.705 133 HA ALA 28 HA ALA 28 -0.161 3.423 -11.121 134 HB1 ALA 28 HB1 ALA 28 0.553 0.476 -11.040 135 HB2 ALA 28 HB2 ALA 28 -0.916 1.223 -11.641 136 HB3 ALA 28 HB3 ALA 28 0.614 1.496 -12.499 137 H VAL 29 H VAL 29 1.273 1.139 -8.626 138 HA VAL 29 HA VAL 29 -1.107 1.152 -7.121 139 HB VAL 29 HB VAL 29 1.671 0.655 -5.990 140 HG11 VAL 29 HG11 VAL 29 -0.363 0.758 -4.445 141 HG12 VAL 29 HG12 VAL 29 -1.018 -0.614 -5.384 142 HG13 VAL 29 HG13 VAL 29 0.492 -0.797 -4.464 143 HG21 VAL 29 HG21 VAL 29 -0.179 -1.236 -7.541 144 HG22 VAL 29 HG22 VAL 29 1.507 -0.854 -7.909 145 HG23 VAL 29 HG23 VAL 29 1.136 -1.793 -6.485 146 H ARG 30 H ARG 30 1.652 3.409 -7.110 147 HA ARG 30 HA ARG 30 1.030 4.972 -4.792 148 HB2 ARG 30 HB2 ARG 30 2.291 5.452 -7.572 149 HB3 ARG 30 HB3 ARG 30 2.031 6.822 -6.498 150 HG2 ARG 30 HG2 ARG 30 3.418 5.847 -4.760 151 HG3 ARG 30 HG3 ARG 30 3.591 4.339 -5.672 152 HD2 ARG 30 HD2 ARG 30 4.864 5.347 -7.384 153 HD3 ARG 30 HD3 ARG 30 4.546 6.998 -6.794 154 HE ARG 30 HE ARG 30 6.699 5.300 -6.096 155 HH11 ARG 30 HH11 ARG 30 4.681 7.663 -4.389 156 HH12 ARG 30 HH12 ARG 30 5.899 7.823 -3.147 157 HH21 ARG 30 HH21 ARG 30 8.103 5.631 -4.579 158 HH22 ARG 30 HH22 ARG 30 7.756 6.667 -3.193 159 H LYS 31 H LYS 31 -0.435 5.062 -8.030 160 HA LYS 31 HA LYS 31 -2.160 7.319 -7.204 161 HB2 LYS 31 HB2 LYS 31 -1.638 6.062 -9.901 162 HB3 LYS 31 HB3 LYS 31 -2.790 7.395 -9.586 163 HG2 LYS 31 HG2 LYS 31 -0.929 8.578 -8.333 164 HG3 LYS 31 HG3 LYS 31 0.196 7.356 -8.928 165 HD2 LYS 31 HD2 LYS 31 0.009 8.171 -11.170 166 HD3 LYS 31 HD3 LYS 31 -1.450 9.122 -10.757 167 HE2 LYS 31 HE2 LYS 31 -0.198 10.472 -9.164 168 HE3 LYS 31 HE3 LYS 31 1.275 9.535 -9.462 169 HZ1 LYS 31 HZ1 LYS 31 1.092 11.689 -10.700 170 HZ2 LYS 31 HZ2 LYS 31 -0.135 11.028 -11.598 171 HZ3 LYS 31 HZ3 LYS 31 1.379 10.373 -11.668 172 H SER 32 H SER 32 -2.554 3.914 -7.365 173 HA SER 32 HA SER 32 -5.435 4.010 -6.868 174 HB2 SER 32 HB2 SER 32 -3.891 1.918 -7.331 175 HB3 SER 32 HB3 SER 32 -3.596 1.979 -5.579 176 HG SER 32 HG SER 32 -5.855 1.735 -5.271 177 H LEU 33 H LEU 33 -2.496 4.214 -4.850 178 HA LEU 33 HA LEU 33 -3.787 4.474 -2.300 179 HB2 LEU 33 HB2 LEU 33 -1.012 5.183 -3.339 180 HB3 LEU 33 HB3 LEU 33 -1.475 5.295 -1.662 181 HG LEU 33 HG LEU 33 -1.803 2.653 -3.124 182 HD11 LEU 33 HD11 LEU 33 0.417 1.978 -2.452 183 HD12 LEU 33 HD12 LEU 33 0.763 3.570 -1.738 184 HD13 LEU 33 HD13 LEU 33 0.567 3.380 -3.488 185 HD21 LEU 33 HD21 LEU 33 -2.752 2.931 -0.866 186 HD22 LEU 33 HD22 LEU 33 -1.147 3.436 -0.277 187 HD23 LEU 33 HD23 LEU 33 -1.394 1.783 -0.874 188 H GLN 34 H GLN 34 -2.839 6.904 -4.678 189 HA GLN 34 HA GLN 34 -3.232 9.201 -2.984 190 HB2 GLN 34 HB2 GLN 34 -2.864 8.673 -5.895 191 HB3 GLN 34 HB3 GLN 34 -3.403 10.251 -5.463 192 HG2 GLN 34 HG2 GLN 34 -1.494 10.679 -4.057 193 HG3 GLN 34 HG3 GLN 34 -1.036 8.982 -4.044 194 HE21 GLN 34 HE21 GLN 34 0.914 8.858 -5.053 195 HE22 GLN 34 HE22 GLN 34 1.305 9.641 -6.562 196 H GLY 35 H GLY 35 -4.898 10.262 -2.447 197 HA2 GLY 35 HA2 GLY 35 -7.077 11.042 -2.291 198 HA3 GLY 35 HA3 GLY 35 -7.532 10.123 -3.722 199 H VAL 36 H VAL 36 -6.084 8.247 -1.045 200 HA VAL 36 HA VAL 36 -8.547 6.749 -0.888 201 HB VAL 36 HB VAL 36 -5.817 6.393 0.321 202 HG11 VAL 36 HG11 VAL 36 -7.355 5.593 2.078 203 HG12 VAL 36 HG12 VAL 36 -8.274 4.664 0.870 204 HG13 VAL 36 HG13 VAL 36 -6.594 4.234 1.259 205 HG21 VAL 36 HG21 VAL 36 -7.528 4.681 -1.536 206 HG22 VAL 36 HG22 VAL 36 -6.219 5.760 -2.053 207 HG23 VAL 36 HG23 VAL 36 -5.855 4.355 -1.039 208 H ALA 37 H ALA 37 -10.045 6.835 0.489 209 HA ALA 37 HA ALA 37 -10.315 8.847 2.554 210 HB1 ALA 37 HB1 ALA 37 -12.409 7.639 3.080 211 HB2 ALA 37 HB2 ALA 37 -12.240 7.963 1.342 212 HB3 ALA 37 HB3 ALA 37 -11.932 6.335 1.970 213 H GLY 38 H GLY 38 -9.096 8.835 4.327 214 HA2 GLY 38 HA2 GLY 38 -8.649 8.032 6.535 215 HA3 GLY 38 HA3 GLY 38 -8.729 6.370 5.961 216 H VAL 39 H VAL 39 -6.896 8.121 3.666 217 HA VAL 39 HA VAL 39 -4.350 7.214 4.891 218 HB VAL 39 HB VAL 39 -5.163 6.867 2.428 219 HG11 VAL 39 HG11 VAL 39 -4.419 8.413 0.791 220 HG12 VAL 39 HG12 VAL 39 -5.414 9.340 1.924 221 HG13 VAL 39 HG13 VAL 39 -3.649 9.460 1.993 222 HG21 VAL 39 HG21 VAL 39 -2.288 7.658 3.047 223 HG22 VAL 39 HG22 VAL 39 -3.021 6.070 3.350 224 HG23 VAL 39 HG23 VAL 39 -2.839 6.661 1.692 225 H GLN 40 H GLN 40 -2.600 8.605 5.360 226 HA GLN 40 HA GLN 40 -3.020 11.538 4.913 227 HB2 GLN 40 HB2 GLN 40 -1.442 9.974 6.970 228 HB3 GLN 40 HB3 GLN 40 -0.975 11.592 6.493 229 HG2 GLN 40 HG2 GLN 40 -3.269 12.419 7.027 230 HG3 GLN 40 HG3 GLN 40 -3.644 10.813 7.648 231 HE21 GLN 40 HE21 GLN 40 -4.096 12.439 9.559 232 HE22 GLN 40 HE22 GLN 40 -2.738 12.608 10.683 233 H ASP 41 H ASP 41 -0.640 8.844 4.616 234 HA ASP 41 HA ASP 41 0.753 10.192 2.400 235 HB2 ASP 41 HB2 ASP 41 1.919 9.724 5.177 236 HB3 ASP 41 HB3 ASP 41 2.924 9.917 3.775 237 H VAL 42 H VAL 42 2.560 8.864 1.676 238 HA VAL 42 HA VAL 42 2.539 5.966 2.295 239 HB VAL 42 HB VAL 42 2.536 5.392 -0.103 240 HG11 VAL 42 HG11 VAL 42 -0.042 6.761 0.718 241 HG12 VAL 42 HG12 VAL 42 0.192 5.401 -0.396 242 HG13 VAL 42 HG13 VAL 42 0.515 5.181 1.319 243 HG21 VAL 42 HG21 VAL 42 3.076 7.634 -1.096 244 HG22 VAL 42 HG22 VAL 42 1.672 6.842 -1.824 245 HG23 VAL 42 HG23 VAL 42 1.432 8.161 -0.673 246 H GLU 43 H GLU 43 4.425 4.798 1.383 247 HA GLU 43 HA GLU 43 6.252 6.309 -0.326 248 HB2 GLU 43 HB2 GLU 43 7.284 6.496 1.826 249 HB3 GLU 43 HB3 GLU 43 7.098 4.762 2.110 250 HG2 GLU 43 HG2 GLU 43 9.207 5.112 1.495 251 HG3 GLU 43 HG3 GLU 43 8.561 4.319 0.098 252 H VAL 44 H VAL 44 7.140 4.878 -1.937 253 HA VAL 44 HA VAL 44 6.195 2.043 -1.793 254 HB VAL 44 HB VAL 44 5.993 3.749 -4.281 255 HG11 VAL 44 HG11 VAL 44 4.941 1.817 -5.291 256 HG12 VAL 44 HG12 VAL 44 6.603 1.436 -4.828 257 HG13 VAL 44 HG13 VAL 44 5.255 0.840 -3.824 258 HG21 VAL 44 HG21 VAL 44 4.107 2.671 -2.203 259 HG22 VAL 44 HG22 VAL 44 4.163 4.301 -2.872 260 HG23 VAL 44 HG23 VAL 44 3.506 2.962 -3.853 261 H HIS 45 H HIS 45 7.537 0.590 -2.125 262 HA HIS 45 HA HIS 45 10.340 1.360 -2.853 263 HB2 HIS 45 HB2 HIS 45 9.126 -0.593 -0.930 264 HB3 HIS 45 HB3 HIS 45 10.808 -0.733 -1.459 265 HD1 HIS 45 HD1 HIS 45 12.588 0.691 -0.238 266 HD2 HIS 45 HD2 HIS 45 8.594 1.720 0.615 267 HE1 HIS 45 HE1 HIS 45 12.674 2.435 1.611 268 H LEU 46 H LEU 46 10.355 0.940 -4.998 269 HA LEU 46 HA LEU 46 9.315 -1.389 -6.328 270 HB2 LEU 46 HB2 LEU 46 9.925 0.885 -7.238 271 HB3 LEU 46 HB3 LEU 46 11.598 0.529 -7.021 272 HG LEU 46 HG LEU 46 10.499 0.372 -9.361 273 HD11 LEU 46 HD11 LEU 46 12.295 -1.879 -8.431 274 HD12 LEU 46 HD12 LEU 46 12.800 -0.217 -8.839 275 HD13 LEU 46 HD13 LEU 46 12.107 -1.257 -10.087 276 HD21 LEU 46 HD21 LEU 46 9.743 -2.409 -8.398 277 HD22 LEU 46 HD22 LEU 46 9.803 -1.871 -10.080 278 HD23 LEU 46 HD23 LEU 46 8.648 -1.128 -8.985 279 H GLU 47 H GLU 47 12.391 -0.592 -4.787 280 HA GLU 47 HA GLU 47 13.686 -3.031 -5.788 281 HB2 GLU 47 HB2 GLU 47 14.761 -0.901 -3.910 282 HB3 GLU 47 HB3 GLU 47 15.684 -2.243 -4.608 283 HG2 GLU 47 HG2 GLU 47 14.938 -1.391 -6.917 284 HG3 GLU 47 HG3 GLU 47 14.390 0.073 -6.101 285 H ASP 48 H ASP 48 11.746 -2.484 -3.024 286 HA ASP 48 HA ASP 48 12.611 -5.089 -1.869 287 HB2 ASP 48 HB2 ASP 48 11.708 -2.498 -0.676 288 HB3 ASP 48 HB3 ASP 48 10.886 -3.847 -0.073 289 H GLN 49 H GLN 49 10.396 -3.889 -4.009 290 HA GLN 49 HA GLN 49 8.236 -4.198 -4.585 291 HB2 GLN 49 HB2 GLN 49 8.511 -7.030 -3.587 292 HB3 GLN 49 HB3 GLN 49 7.414 -6.399 -4.806 293 HG2 GLN 49 HG2 GLN 49 9.038 -7.420 -6.152 294 HG3 GLN 49 HG3 GLN 49 9.399 -5.710 -6.219 295 HE21 GLN 49 HE21 GLN 49 11.559 -5.256 -6.115 296 HE22 GLN 49 HE22 GLN 49 12.737 -6.333 -5.363 297 H MET 50 H MET 50 8.280 -2.789 -2.444 298 HA MET 50 HA MET 50 6.283 -3.923 -0.572 299 HB2 MET 50 HB2 MET 50 8.393 -4.187 0.469 300 HB3 MET 50 HB3 MET 50 8.910 -2.555 0.066 301 HG2 MET 50 HG2 MET 50 7.612 -1.548 1.711 302 HG3 MET 50 HG3 MET 50 6.505 -2.908 1.850 303 HE1 MET 50 HE1 MET 50 8.039 -5.444 2.269 304 HE2 MET 50 HE2 MET 50 8.099 -5.468 4.044 305 HE3 MET 50 HE3 MET 50 6.632 -4.889 3.230 306 H VAL 51 H VAL 51 5.028 -2.394 0.626 307 HA VAL 51 HA VAL 51 4.953 0.412 -0.396 308 HB VAL 51 HB VAL 51 2.393 -1.006 0.368 309 HG11 VAL 51 HG11 VAL 51 3.009 0.946 -1.844 310 HG12 VAL 51 HG12 VAL 51 1.440 0.636 -1.050 311 HG13 VAL 51 HG13 VAL 51 2.715 1.516 -0.179 312 HG21 VAL 51 HG21 VAL 51 1.956 -1.545 -2.022 313 HG22 VAL 51 HG22 VAL 51 3.684 -1.288 -2.363 314 HG23 VAL 51 HG23 VAL 51 3.162 -2.576 -1.245 315 H LEU 52 H LEU 52 4.798 1.924 1.186 316 HA LEU 52 HA LEU 52 3.980 1.117 3.950 317 HB2 LEU 52 HB2 LEU 52 5.652 3.463 2.981 318 HB3 LEU 52 HB3 LEU 52 4.872 3.421 4.544 319 HG LEU 52 HG LEU 52 6.203 1.243 4.991 320 HD11 LEU 52 HD11 LEU 52 7.800 2.303 2.640 321 HD12 LEU 52 HD12 LEU 52 6.996 0.714 2.739 322 HD13 LEU 52 HD13 LEU 52 8.369 1.071 3.785 323 HD21 LEU 52 HD21 LEU 52 8.194 2.517 5.684 324 HD22 LEU 52 HD22 LEU 52 6.728 3.450 6.008 325 HD23 LEU 52 HD23 LEU 52 7.733 3.855 4.605 326 H VAL 53 H VAL 53 2.144 1.877 4.670 327 HA VAL 53 HA VAL 53 0.795 4.115 3.224 328 HB VAL 53 HB VAL 53 -0.565 1.554 4.128 329 HG11 VAL 53 HG11 VAL 53 -1.995 3.613 4.126 330 HG12 VAL 53 HG12 VAL 53 -1.539 3.921 2.440 331 HG13 VAL 53 HG13 VAL 53 -2.494 2.485 2.863 332 HG21 VAL 53 HG21 VAL 53 -0.920 1.129 1.680 333 HG22 VAL 53 HG22 VAL 53 0.261 2.418 1.335 334 HG23 VAL 53 HG23 VAL 53 0.753 0.952 2.206 335 H HIS 54 H HIS 54 0.745 5.693 4.618 336 HA HIS 54 HA HIS 54 0.525 5.293 7.530 337 HB2 HIS 54 HB2 HIS 54 0.666 7.890 5.946 338 HB3 HIS 54 HB3 HIS 54 0.969 7.671 7.632 339 HD1 HIS 54 HD1 HIS 54 3.431 8.028 8.108 340 HD2 HIS 54 HD2 HIS 54 2.722 6.118 4.441 341 HE1 HIS 54 HE1 HIS 54 5.718 7.560 7.085 342 H THR 55 H THR 55 -1.601 4.651 8.047 343 HA THR 55 HA THR 55 -3.811 6.419 7.192 344 HB THR 55 HB THR 55 -3.523 4.828 5.361 345 HG1 THR 55 HG1 THR 55 -5.670 5.353 6.116 346 HG21 THR 55 HG21 THR 55 -4.037 2.566 7.348 347 HG22 THR 55 HG22 THR 55 -2.469 2.910 6.589 348 HG23 THR 55 HG23 THR 55 -3.846 2.425 5.590 349 H THR 56 H THR 56 -5.905 6.066 8.170 350 HA THR 56 HA THR 56 -5.817 4.928 10.887 351 HB THR 56 HB THR 56 -7.911 6.018 11.283 352 HG1 THR 56 HG1 THR 56 -8.854 7.206 9.456 353 HG21 THR 56 HG21 THR 56 -6.486 8.055 9.576 354 HG22 THR 56 HG22 THR 56 -5.813 7.487 11.124 355 HG23 THR 56 HG23 THR 56 -7.398 8.272 11.080 356 H LEU 57 H LEU 57 -6.495 3.597 7.927 357 HA LEU 57 HA LEU 57 -8.928 2.161 8.499 358 HB2 LEU 57 HB2 LEU 57 -6.752 1.824 6.395 359 HB3 LEU 57 HB3 LEU 57 -8.272 0.954 6.349 360 HG LEU 57 HG LEU 57 -7.859 3.956 6.031 361 HD11 LEU 57 HD11 LEU 57 -9.019 1.817 4.196 362 HD12 LEU 57 HD12 LEU 57 -7.372 2.485 4.095 363 HD13 LEU 57 HD13 LEU 57 -8.762 3.528 3.800 364 HD21 LEU 57 HD21 LEU 57 -10.325 4.074 5.631 365 HD22 LEU 57 HD22 LEU 57 -9.890 3.777 7.305 366 HD23 LEU 57 HD23 LEU 57 -10.474 2.434 6.301 367 HA PRO 58 HA PRO 58 -7.211 -1.653 10.242 368 HB2 PRO 58 HB2 PRO 58 -9.199 -3.251 8.723 369 HB3 PRO 58 HB3 PRO 58 -9.071 -3.064 10.486 370 HG2 PRO 58 HG2 PRO 58 -11.128 -1.936 9.058 371 HG3 PRO 58 HG3 PRO 58 -10.373 -1.037 10.422 372 HD2 PRO 58 HD2 PRO 58 -9.634 -0.883 7.488 373 HD3 PRO 58 HD3 PRO 58 -10.183 0.454 8.475 374 H SER 59 H SER 59 -5.601 -3.178 9.439 375 HA SER 59 HA SER 59 -4.623 -2.814 6.849 376 HB2 SER 59 HB2 SER 59 -4.031 -5.491 7.966 377 HB3 SER 59 HB3 SER 59 -2.984 -4.199 7.337 378 HG SER 59 HG SER 59 -3.998 -4.633 9.932 379 H GLN 60 H GLN 60 -7.067 -5.069 7.877 380 HA GLN 60 HA GLN 60 -7.383 -6.789 5.666 381 HB2 GLN 60 HB2 GLN 60 -9.542 -5.474 7.392 382 HB3 GLN 60 HB3 GLN 60 -9.718 -6.908 6.398 383 HG2 GLN 60 HG2 GLN 60 -9.512 -7.890 8.421 384 HG3 GLN 60 HG3 GLN 60 -7.822 -7.915 7.967 385 HE21 GLN 60 HE21 GLN 60 -9.345 -7.808 10.663 386 HE22 GLN 60 HE22 GLN 60 -8.449 -6.539 11.478 387 H GLU 61 H GLU 61 -8.405 -3.387 6.075 388 HA GLU 61 HA GLU 61 -10.079 -3.329 3.657 389 HB2 GLU 61 HB2 GLU 61 -10.481 -2.072 5.849 390 HB3 GLU 61 HB3 GLU 61 -9.119 -1.019 5.387 391 HG2 GLU 61 HG2 GLU 61 -10.280 -0.418 3.319 392 HG3 GLU 61 HG3 GLU 61 -11.628 -1.489 3.790 393 H VAL 62 H VAL 62 -6.860 -2.124 4.677 394 HA VAL 62 HA VAL 62 -6.255 -0.819 2.219 395 HB VAL 62 HB VAL 62 -4.161 -2.007 4.055 396 HG11 VAL 62 HG11 VAL 62 -3.498 -0.766 1.982 397 HG12 VAL 62 HG12 VAL 62 -4.361 0.657 2.594 398 HG13 VAL 62 HG13 VAL 62 -2.931 0.033 3.454 399 HG21 VAL 62 HG21 VAL 62 -5.808 0.426 4.741 400 HG22 VAL 62 HG22 VAL 62 -5.519 -1.048 5.712 401 HG23 VAL 62 HG23 VAL 62 -4.207 0.062 5.432 402 H GLN 63 H GLN 63 -5.665 -4.155 3.409 403 HA GLN 63 HA GLN 63 -4.157 -5.177 1.198 404 HB2 GLN 63 HB2 GLN 63 -4.533 -6.441 3.269 405 HB3 GLN 63 HB3 GLN 63 -6.252 -6.473 2.967 406 HG2 GLN 63 HG2 GLN 63 -5.705 -7.712 0.760 407 HG3 GLN 63 HG3 GLN 63 -4.050 -7.867 1.389 408 HE21 GLN 63 HE21 GLN 63 -5.681 -10.040 0.672 409 HE22 GLN 63 HE22 GLN 63 -6.025 -10.969 2.132 410 H ALA 64 H ALA 64 -7.761 -4.694 1.478 411 HA ALA 64 HA ALA 64 -8.125 -5.946 -1.140 412 HB1 ALA 64 HB1 ALA 64 -10.488 -5.285 -0.784 413 HB2 ALA 64 HB2 ALA 64 -9.831 -6.106 0.645 414 HB3 ALA 64 HB3 ALA 64 -10.024 -4.337 0.646 415 H LEU 65 H LEU 65 -7.647 -2.632 0.107 416 HA LEU 65 HA LEU 65 -8.292 -1.244 -2.270 417 HB2 LEU 65 HB2 LEU 65 -6.561 -0.595 0.092 418 HB3 LEU 65 HB3 LEU 65 -6.678 0.486 -1.272 419 HG LEU 65 HG LEU 65 -9.142 -0.487 0.219 420 HD11 LEU 65 HD11 LEU 65 -7.777 0.689 1.830 421 HD12 LEU 65 HD12 LEU 65 -9.114 1.731 1.344 422 HD13 LEU 65 HD13 LEU 65 -7.490 2.015 0.674 423 HD21 LEU 65 HD21 LEU 65 -8.649 1.938 -1.575 424 HD22 LEU 65 HD22 LEU 65 -10.180 1.528 -0.773 425 HD23 LEU 65 HD23 LEU 65 -9.544 0.484 -2.046 426 H LEU 66 H LEU 66 -5.241 -2.546 -1.053 427 HA LEU 66 HA LEU 66 -3.550 -1.904 -3.285 428 HB2 LEU 66 HB2 LEU 66 -3.408 -3.945 -1.027 429 HB3 LEU 66 HB3 LEU 66 -2.091 -3.695 -2.160 430 HG LEU 66 HG LEU 66 -3.175 -1.345 -0.559 431 HD11 LEU 66 HD11 LEU 66 -2.654 -3.057 1.115 432 HD12 LEU 66 HD12 LEU 66 -1.431 -1.795 1.133 433 HD13 LEU 66 HD13 LEU 66 -1.073 -3.353 0.351 434 HD21 LEU 66 HD21 LEU 66 -0.451 -2.004 -1.751 435 HD22 LEU 66 HD22 LEU 66 -0.863 -0.534 -0.846 436 HD23 LEU 66 HD23 LEU 66 -1.633 -0.850 -2.410 437 H GLU 67 H GLU 67 -5.276 -4.934 -2.407 438 HA GLU 67 HA GLU 67 -4.552 -6.549 -4.622 439 HB2 GLU 67 HB2 GLU 67 -6.925 -6.335 -2.763 440 HB3 GLU 67 HB3 GLU 67 -6.974 -7.504 -4.035 441 HG2 GLU 67 HG2 GLU 67 -4.814 -8.477 -3.216 442 HG3 GLU 67 HG3 GLU 67 -4.809 -7.368 -1.891 443 H GLY 68 H GLY 68 -7.055 -4.041 -4.393 444 HA2 GLY 68 HA2 GLY 68 -8.279 -4.418 -6.945 445 HA3 GLY 68 HA3 GLY 68 -8.270 -2.937 -5.996 446 H THR 69 H THR 69 -5.056 -3.389 -6.368 447 HA THR 69 HA THR 69 -4.796 -1.903 -8.903 448 HB THR 69 HB THR 69 -2.450 -1.698 -8.466 449 HG1 THR 69 HG1 THR 69 -2.888 -3.223 -6.124 450 HG21 THR 69 HG21 THR 69 -2.645 -0.220 -6.715 451 HG22 THR 69 HG22 THR 69 -3.901 -1.167 -5.875 452 HG23 THR 69 HG23 THR 69 -4.261 -0.305 -7.389 453 H GLY 70 H GLY 70 -5.411 -5.066 -8.338 454 HA2 GLY 70 HA2 GLY 70 -5.663 -6.666 -10.011 455 HA3 GLY 70 HA3 GLY 70 -4.614 -5.741 -11.084 456 H ARG 71 H ARG 71 -3.527 -6.576 -7.868 457 HA ARG 71 HA ARG 71 -1.831 -8.818 -8.741 458 HB2 ARG 71 HB2 ARG 71 0.221 -7.577 -8.006 459 HB3 ARG 71 HB3 ARG 71 -0.550 -6.992 -9.469 460 HG2 ARG 71 HG2 ARG 71 -1.667 -5.175 -8.030 461 HG3 ARG 71 HG3 ARG 71 -0.637 -5.702 -6.712 462 HD2 ARG 71 HD2 ARG 71 0.319 -3.770 -7.778 463 HD3 ARG 71 HD3 ARG 71 1.351 -5.143 -8.127 464 HE ARG 71 HE ARG 71 -0.430 -3.661 -10.017 465 HH11 ARG 71 HH11 ARG 71 1.965 -6.265 -9.775 466 HH12 ARG 71 HH12 ARG 71 2.213 -6.258 -11.502 467 HH21 ARG 71 HH21 ARG 71 -0.017 -3.693 -12.076 468 HH22 ARG 71 HH22 ARG 71 1.133 -4.783 -12.803 469 H GLN 72 H GLN 72 -0.322 -9.374 -6.789 470 HA GLN 72 HA GLN 72 -2.053 -9.955 -4.520 471 HB2 GLN 72 HB2 GLN 72 -0.243 -11.446 -5.668 472 HB3 GLN 72 HB3 GLN 72 0.895 -10.584 -4.642 473 HG2 GLN 72 HG2 GLN 72 0.452 -12.491 -3.416 474 HG3 GLN 72 HG3 GLN 72 -0.695 -11.383 -2.683 475 HE21 GLN 72 HE21 GLN 72 -3.000 -11.841 -2.993 476 HE22 GLN 72 HE22 GLN 72 -3.502 -13.329 -3.785 477 H ALA 73 H ALA 73 -1.598 -9.527 -2.457 478 HA ALA 73 HA ALA 73 0.393 -7.556 -1.550 479 HB1 ALA 73 HB1 ALA 73 -1.486 -6.126 -2.390 480 HB2 ALA 73 HB2 ALA 73 -2.593 -6.954 -1.276 481 HB3 ALA 73 HB3 ALA 73 -1.261 -5.975 -0.633 482 H VAL 74 H VAL 74 1.139 -8.146 0.378 483 HA VAL 74 HA VAL 74 -0.584 -9.594 2.356 484 HB VAL 74 HB VAL 74 2.231 -10.310 1.434 485 HG11 VAL 74 HG11 VAL 74 0.583 -11.474 3.725 486 HG12 VAL 74 HG12 VAL 74 2.078 -12.183 3.076 487 HG13 VAL 74 HG13 VAL 74 2.139 -10.610 3.864 488 HG21 VAL 74 HG21 VAL 74 0.556 -11.212 -0.062 489 HG22 VAL 74 HG22 VAL 74 1.143 -12.524 0.958 490 HG23 VAL 74 HG23 VAL 74 -0.434 -11.781 1.305 491 H LEU 75 H LEU 75 -0.473 -8.730 4.345 492 HA LEU 75 HA LEU 75 1.343 -6.456 4.817 493 HB2 LEU 75 HB2 LEU 75 -1.031 -6.414 5.452 494 HB3 LEU 75 HB3 LEU 75 -0.829 -7.770 6.489 495 HG LEU 75 HG LEU 75 -1.022 -5.456 7.467 496 HD11 LEU 75 HD11 LEU 75 -0.506 -7.291 8.849 497 HD12 LEU 75 HD12 LEU 75 0.370 -5.849 9.371 498 HD13 LEU 75 HD13 LEU 75 1.222 -7.144 8.492 499 HD21 LEU 75 HD21 LEU 75 0.641 -3.934 7.745 500 HD22 LEU 75 HD22 LEU 75 0.562 -4.282 6.011 501 HD23 LEU 75 HD23 LEU 75 1.847 -4.989 7.011 502 H LYS 76 H LYS 76 3.019 -6.384 5.859 503 HA LYS 76 HA LYS 76 4.279 -8.834 7.071 504 HB2 LYS 76 HB2 LYS 76 5.528 -6.203 6.173 505 HB3 LYS 76 HB3 LYS 76 6.404 -7.569 6.822 506 HG2 LYS 76 HG2 LYS 76 4.770 -7.613 4.241 507 HG3 LYS 76 HG3 LYS 76 6.509 -7.388 4.340 508 HD2 LYS 76 HD2 LYS 76 5.001 -9.904 5.176 509 HD3 LYS 76 HD3 LYS 76 5.923 -9.664 3.695 510 HE2 LYS 76 HE2 LYS 76 7.962 -9.173 5.186 511 HE3 LYS 76 HE3 LYS 76 7.003 -9.785 6.541 512 HZ1 LYS 76 HZ1 LYS 76 6.721 -11.864 5.223 513 HZ2 LYS 76 HZ2 LYS 76 8.304 -11.578 5.568 514 HZ3 LYS 76 HZ3 LYS 76 7.715 -11.264 4.067 515 H GLY 77 H GLY 77 3.241 -5.591 7.910 516 HA2 GLY 77 HA2 GLY 77 2.534 -5.778 10.421 517 HA3 GLY 77 HA3 GLY 77 4.290 -5.795 10.661 518 H MET 78 H MET 78 4.474 -3.769 11.630 519 HA MET 78 HA MET 78 3.419 -1.428 10.161 520 HB2 MET 78 HB2 MET 78 3.335 -2.140 13.117 521 HB3 MET 78 HB3 MET 78 3.070 -0.538 12.493 522 HG2 MET 78 HG2 MET 78 0.908 -1.325 12.660 523 HG3 MET 78 HG3 MET 78 1.288 -1.566 10.960 524 HE1 MET 78 HE1 MET 78 -0.604 -3.154 10.432 525 HE2 MET 78 HE2 MET 78 -1.134 -4.492 11.473 526 HE3 MET 78 HE3 MET 78 -1.234 -2.814 12.061 527 H GLY 79 H GLY 79 4.330 0.636 10.866 528 HA2 GLY 79 HA2 GLY 79 7.136 0.843 10.624 529 HA3 GLY 79 HA3 GLY 79 6.040 2.125 11.215 Start of MODEL 17 1 H GLY 9 H GLY 9 -9.198 3.066 11.803 2 HA2 GLY 9 HA2 GLY 9 -9.397 3.182 14.757 3 HA3 GLY 9 HA3 GLY 9 -8.049 2.614 13.789 4 H THR 10 H THR 10 -6.498 3.784 14.656 5 HA THR 10 HA THR 10 -6.475 6.720 14.252 6 HB THR 10 HB THR 10 -6.390 6.219 16.615 7 HG1 THR 10 HG1 THR 10 -4.783 7.444 17.071 8 HG21 THR 10 HG21 THR 10 -4.481 5.027 17.634 9 HG22 THR 10 HG22 THR 10 -3.882 4.588 16.019 10 HG23 THR 10 HG23 THR 10 -5.434 3.948 16.607 11 H LEU 11 H LEU 11 -4.326 7.554 13.803 12 HA LEU 11 HA LEU 11 -3.470 6.334 11.366 13 HB2 LEU 11 HB2 LEU 11 -3.436 8.876 12.290 14 HB3 LEU 11 HB3 LEU 11 -1.789 8.393 12.694 15 HG LEU 11 HG LEU 11 -1.889 9.680 10.686 16 HD11 LEU 11 HD11 LEU 11 -1.095 6.883 9.852 17 HD12 LEU 11 HD12 LEU 11 -0.116 7.922 10.923 18 HD13 LEU 11 HD13 LEU 11 -0.481 8.449 9.276 19 HD21 LEU 11 HD21 LEU 11 -3.609 7.485 9.556 20 HD22 LEU 11 HD22 LEU 11 -2.777 8.680 8.561 21 HD23 LEU 11 HD23 LEU 11 -4.004 9.199 9.742 22 H CYS 12 H CYS 12 -1.948 5.057 10.888 23 HA CYS 12 HA CYS 12 0.465 4.482 12.493 24 HB2 CYS 12 HB2 CYS 12 -1.769 2.509 11.867 25 HB3 CYS 12 HB3 CYS 12 -0.109 1.963 12.152 26 HG CYS 12 HG CYS 12 -1.623 1.581 14.275 27 H THR 13 H THR 13 2.106 3.492 11.222 28 HA THR 13 HA THR 13 1.761 3.489 8.267 29 HB THR 13 HB THR 13 4.185 2.576 9.845 30 HG1 THR 13 HG1 THR 13 3.650 4.665 10.432 31 HG21 THR 13 HG21 THR 13 4.206 1.949 7.478 32 HG22 THR 13 HG22 THR 13 5.331 3.296 7.742 33 HG23 THR 13 HG23 THR 13 3.753 3.611 7.002 34 H LEU 14 H LEU 14 1.073 1.755 7.198 35 HA LEU 14 HA LEU 14 1.472 -1.002 8.327 36 HB2 LEU 14 HB2 LEU 14 -0.475 0.223 6.382 37 HB3 LEU 14 HB3 LEU 14 -0.095 -1.493 6.330 38 HG LEU 14 HG LEU 14 -1.121 -2.006 8.316 39 HD11 LEU 14 HD11 LEU 14 -0.161 -0.414 9.871 40 HD12 LEU 14 HD12 LEU 14 -1.909 -0.468 10.037 41 HD13 LEU 14 HD13 LEU 14 -1.155 0.901 9.185 42 HD21 LEU 14 HD21 LEU 14 -2.717 0.378 7.293 43 HD22 LEU 14 HD22 LEU 14 -3.353 -0.988 8.225 44 HD23 LEU 14 HD23 LEU 14 -2.741 -1.253 6.583 45 H GLU 15 H GLU 15 3.047 -2.178 7.539 46 HA GLU 15 HA GLU 15 4.535 -1.307 5.094 47 HB2 GLU 15 HB2 GLU 15 5.324 -2.898 7.571 48 HB3 GLU 15 HB3 GLU 15 6.313 -2.831 6.095 49 HG2 GLU 15 HG2 GLU 15 6.288 -0.311 6.278 50 HG3 GLU 15 HG3 GLU 15 5.521 -0.476 7.853 51 H PHE 16 H PHE 16 3.413 -2.261 3.405 52 HA PHE 16 HA PHE 16 2.762 -5.174 3.593 53 HB2 PHE 16 HB2 PHE 16 1.837 -2.971 1.709 54 HB3 PHE 16 HB3 PHE 16 1.503 -4.673 1.456 55 HD1 PHE 16 HD2 PHE 16 0.630 -1.793 3.568 56 HD2 PHE 16 HD1 PHE 16 -0.068 -5.949 2.671 57 HE1 PHE 16 HE2 PHE 16 -1.609 -1.648 4.627 58 HE2 PHE 16 HE1 PHE 16 -2.336 -5.793 3.686 59 HZ PHE 16 HZ PHE 16 -3.116 -3.641 4.636 60 H ALA 17 H ALA 17 3.311 -6.624 2.126 61 HA ALA 17 HA ALA 17 5.453 -5.980 0.112 62 HB1 ALA 17 HB1 ALA 17 6.103 -7.616 1.815 63 HB2 ALA 17 HB2 ALA 17 4.693 -8.625 1.413 64 HB3 ALA 17 HB3 ALA 17 5.983 -8.378 0.217 65 H VAL 18 H VAL 18 5.000 -6.144 -2.042 66 HA VAL 18 HA VAL 18 2.415 -7.376 -2.961 67 HB VAL 18 HB VAL 18 2.173 -5.287 -4.411 68 HG11 VAL 18 HG11 VAL 18 1.179 -3.892 -2.663 69 HG12 VAL 18 HG12 VAL 18 0.756 -5.584 -2.396 70 HG13 VAL 18 HG13 VAL 18 2.011 -4.806 -1.395 71 HG21 VAL 18 HG21 VAL 18 4.151 -4.139 -2.457 72 HG22 VAL 18 HG22 VAL 18 4.464 -4.486 -4.165 73 HG23 VAL 18 HG23 VAL 18 3.219 -3.289 -3.716 74 H GLN 19 H GLN 19 2.288 -7.782 -5.303 75 HA GLN 19 HA GLN 19 4.983 -8.437 -6.388 76 HB2 GLN 19 HB2 GLN 19 2.176 -9.251 -7.121 77 HB3 GLN 19 HB3 GLN 19 3.578 -9.650 -8.132 78 HG2 GLN 19 HG2 GLN 19 4.622 -10.928 -6.380 79 HG3 GLN 19 HG3 GLN 19 3.425 -10.412 -5.192 80 HE21 GLN 19 HE21 GLN 19 3.733 -13.052 -5.281 81 HE22 GLN 19 HE22 GLN 19 2.271 -13.746 -6.026 82 H MET 20 H MET 20 5.813 -6.404 -6.996 83 HA MET 20 HA MET 20 5.231 -5.813 -9.799 84 HB2 MET 20 HB2 MET 20 5.201 -3.327 -9.364 85 HB3 MET 20 HB3 MET 20 3.740 -4.182 -8.857 86 HG2 MET 20 HG2 MET 20 4.484 -4.140 -6.521 87 HG3 MET 20 HG3 MET 20 6.007 -3.378 -6.996 88 HE1 MET 20 HE1 MET 20 4.781 -2.444 -4.821 89 HE2 MET 20 HE2 MET 20 5.816 -1.147 -5.399 90 HE3 MET 20 HE3 MET 20 4.137 -0.771 -4.863 91 H THR 21 H THR 21 7.100 -5.108 -10.912 92 HA THR 21 HA THR 21 9.544 -4.479 -9.340 93 HB THR 21 HB THR 21 9.291 -6.942 -9.535 94 HG1 THR 21 HG1 THR 21 11.300 -5.958 -9.226 95 HG21 THR 21 HG21 THR 21 9.844 -8.073 -11.601 96 HG22 THR 21 HG22 THR 21 9.983 -6.530 -12.472 97 HG23 THR 21 HG23 THR 21 8.406 -7.072 -11.853 98 H CYS 22 H CYS 22 7.812 -3.801 -12.254 99 HA CYS 22 HA CYS 22 10.138 -2.150 -13.074 100 HB2 CYS 22 HB2 CYS 22 9.807 -2.529 -15.324 101 HB3 CYS 22 HB3 CYS 22 9.761 -4.081 -14.541 102 H GLN 23 H GLN 23 9.727 -0.128 -14.092 103 HA GLN 23 HA GLN 23 8.559 1.476 -12.244 104 HB2 GLN 23 HB2 GLN 23 9.492 2.053 -15.024 105 HB3 GLN 23 HB3 GLN 23 8.714 3.333 -14.100 106 HG2 GLN 23 HG2 GLN 23 11.124 1.757 -13.135 107 HG3 GLN 23 HG3 GLN 23 11.187 3.352 -13.872 108 HE21 GLN 23 HE21 GLN 23 12.228 2.690 -11.275 109 HE22 GLN 23 HE22 GLN 23 11.238 3.490 -10.053 110 H SER 24 H SER 24 6.697 0.334 -15.018 111 HA SER 24 HA SER 24 4.557 2.259 -14.830 112 HB2 SER 24 HB2 SER 24 4.340 -0.652 -15.706 113 HB3 SER 24 HB3 SER 24 3.275 0.686 -16.148 114 HG SER 24 HG SER 24 5.967 0.187 -16.895 115 H CYS 25 H CYS 25 5.153 -0.732 -13.007 116 HA CYS 25 HA CYS 25 2.394 -0.940 -12.095 117 HB2 CYS 25 HB2 CYS 25 4.972 -2.403 -11.409 118 HB3 CYS 25 HB3 CYS 25 3.357 -2.892 -10.914 119 H VAL 26 H VAL 26 5.487 0.033 -10.753 120 HA VAL 26 HA VAL 26 4.981 0.742 -8.094 121 HB VAL 26 HB VAL 26 6.559 2.647 -9.796 122 HG11 VAL 26 HG11 VAL 26 8.310 2.288 -8.069 123 HG12 VAL 26 HG12 VAL 26 6.767 2.681 -7.299 124 HG13 VAL 26 HG13 VAL 26 7.370 0.989 -7.359 125 HG21 VAL 26 HG21 VAL 26 6.988 0.702 -11.030 126 HG22 VAL 26 HG22 VAL 26 8.413 1.144 -10.110 127 HG23 VAL 26 HG23 VAL 26 7.387 -0.235 -9.577 128 H ASP 27 H ASP 27 4.541 2.781 -11.038 129 HA ASP 27 HA ASP 27 3.302 4.995 -9.722 130 HB2 ASP 27 HB2 ASP 27 4.336 4.737 -12.128 131 HB3 ASP 27 HB3 ASP 27 2.753 4.164 -12.585 132 H ALA 28 H ALA 28 1.970 2.050 -11.218 133 HA ALA 28 HA ALA 28 -0.770 2.979 -11.197 134 HB1 ALA 28 HB1 ALA 28 0.112 1.254 -12.742 135 HB2 ALA 28 HB2 ALA 28 0.357 0.150 -11.370 136 HB3 ALA 28 HB3 ALA 28 -1.284 0.660 -11.815 137 H VAL 29 H VAL 29 1.131 0.918 -8.900 138 HA VAL 29 HA VAL 29 -1.140 0.558 -7.215 139 HB VAL 29 HB VAL 29 1.791 -0.009 -6.660 140 HG11 VAL 29 HG11 VAL 29 0.222 -0.065 -4.675 141 HG12 VAL 29 HG12 VAL 29 -0.728 -1.298 -5.561 142 HG13 VAL 29 HG13 VAL 29 0.946 -1.637 -5.071 143 HG21 VAL 29 HG21 VAL 29 1.284 -2.337 -7.340 144 HG22 VAL 29 HG22 VAL 29 -0.386 -1.890 -7.729 145 HG23 VAL 29 HG23 VAL 29 0.933 -1.284 -8.704 146 H ARG 30 H ARG 30 1.526 2.926 -7.236 147 HA ARG 30 HA ARG 30 0.894 4.315 -4.763 148 HB2 ARG 30 HB2 ARG 30 1.966 5.156 -7.512 149 HB3 ARG 30 HB3 ARG 30 1.750 6.318 -6.218 150 HG2 ARG 30 HG2 ARG 30 3.419 5.334 -4.855 151 HG3 ARG 30 HG3 ARG 30 3.405 3.840 -5.786 152 HD2 ARG 30 HD2 ARG 30 4.994 4.523 -7.181 153 HD3 ARG 30 HD3 ARG 30 4.105 5.972 -7.590 154 HE ARG 30 HE ARG 30 6.083 5.677 -5.351 155 HH11 ARG 30 HH11 ARG 30 4.296 7.904 -7.454 156 HH12 ARG 30 HH12 ARG 30 5.436 9.190 -7.116 157 HH21 ARG 30 HH21 ARG 30 7.290 7.511 -4.859 158 HH22 ARG 30 HH22 ARG 30 7.028 8.971 -5.813 159 H LYS 31 H LYS 31 -0.550 4.476 -8.043 160 HA LYS 31 HA LYS 31 -2.285 6.641 -7.257 161 HB2 LYS 31 HB2 LYS 31 -1.901 5.116 -9.821 162 HB3 LYS 31 HB3 LYS 31 -3.183 6.346 -9.616 163 HG2 LYS 31 HG2 LYS 31 -1.613 7.997 -8.835 164 HG3 LYS 31 HG3 LYS 31 -0.277 6.830 -8.823 165 HD2 LYS 31 HD2 LYS 31 -0.258 6.726 -11.230 166 HD3 LYS 31 HD3 LYS 31 -1.676 7.821 -11.339 167 HE2 LYS 31 HE2 LYS 31 -0.528 9.601 -10.240 168 HE3 LYS 31 HE3 LYS 31 0.732 8.540 -9.652 169 HZ1 LYS 31 HZ1 LYS 31 1.495 8.206 -11.965 170 HZ2 LYS 31 HZ2 LYS 31 1.582 9.798 -11.539 171 HZ3 LYS 31 HZ3 LYS 31 0.367 9.236 -12.525 172 H SER 32 H SER 32 -2.853 3.211 -7.119 173 HA SER 32 HA SER 32 -5.696 3.517 -6.523 174 HB2 SER 32 HB2 SER 32 -4.660 1.324 -6.986 175 HB3 SER 32 HB3 SER 32 -3.779 1.423 -5.443 176 HG SER 32 HG SER 32 -5.643 0.337 -4.940 177 H LEU 33 H LEU 33 -2.726 4.115 -4.637 178 HA LEU 33 HA LEU 33 -4.173 4.464 -2.111 179 HB2 LEU 33 HB2 LEU 33 -1.351 5.350 -2.750 180 HB3 LEU 33 HB3 LEU 33 -2.072 5.035 -1.182 181 HG LEU 33 HG LEU 33 -1.717 2.812 -3.215 182 HD11 LEU 33 HD11 LEU 33 0.495 3.950 -2.715 183 HD12 LEU 33 HD12 LEU 33 0.372 2.231 -2.345 184 HD13 LEU 33 HD13 LEU 33 0.289 3.437 -1.033 185 HD21 LEU 33 HD21 LEU 33 -3.193 2.338 -1.325 186 HD22 LEU 33 HD22 LEU 33 -1.892 2.794 -0.189 187 HD23 LEU 33 HD23 LEU 33 -1.694 1.389 -1.261 188 H GLN 34 H GLN 34 -3.197 6.515 -4.763 189 HA GLN 34 HA GLN 34 -3.326 9.005 -3.338 190 HB2 GLN 34 HB2 GLN 34 -3.083 8.143 -6.180 191 HB3 GLN 34 HB3 GLN 34 -3.368 9.823 -5.946 192 HG2 GLN 34 HG2 GLN 34 -1.463 10.055 -4.435 193 HG3 GLN 34 HG3 GLN 34 -1.170 8.327 -4.479 194 HE21 GLN 34 HE21 GLN 34 0.930 8.363 -5.404 195 HE22 GLN 34 HE22 GLN 34 1.285 9.180 -6.891 196 H GLY 35 H GLY 35 -4.809 10.027 -2.672 197 HA2 GLY 35 HA2 GLY 35 -6.901 11.089 -2.394 198 HA3 GLY 35 HA3 GLY 35 -7.547 10.209 -3.771 199 H VAL 36 H VAL 36 -6.068 8.343 -1.067 200 HA VAL 36 HA VAL 36 -8.636 6.983 -0.721 201 HB VAL 36 HB VAL 36 -5.838 6.485 0.270 202 HG11 VAL 36 HG11 VAL 36 -8.324 4.920 1.077 203 HG12 VAL 36 HG12 VAL 36 -6.640 4.430 1.362 204 HG13 VAL 36 HG13 VAL 36 -7.275 5.854 2.172 205 HG21 VAL 36 HG21 VAL 36 -7.834 4.840 -1.368 206 HG22 VAL 36 HG22 VAL 36 -6.503 5.790 -2.046 207 HG23 VAL 36 HG23 VAL 36 -6.156 4.396 -1.011 208 H ALA 37 H ALA 37 -10.108 7.541 0.609 209 HA ALA 37 HA ALA 37 -9.857 9.527 2.651 210 HB1 ALA 37 HB1 ALA 37 -12.120 8.831 3.303 211 HB2 ALA 37 HB2 ALA 37 -11.989 8.975 1.540 212 HB3 ALA 37 HB3 ALA 37 -11.983 7.368 2.299 213 H GLY 38 H GLY 38 -8.820 9.378 4.475 214 HA2 GLY 38 HA2 GLY 38 -8.375 8.473 6.653 215 HA3 GLY 38 HA3 GLY 38 -8.558 6.839 6.022 216 H VAL 39 H VAL 39 -6.665 8.498 3.705 217 HA VAL 39 HA VAL 39 -4.157 7.517 4.916 218 HB VAL 39 HB VAL 39 -5.021 7.229 2.465 219 HG11 VAL 39 HG11 VAL 39 -5.179 9.679 1.928 220 HG12 VAL 39 HG12 VAL 39 -3.412 9.766 2.031 221 HG13 VAL 39 HG13 VAL 39 -4.183 8.728 0.816 222 HG21 VAL 39 HG21 VAL 39 -2.105 7.889 3.062 223 HG22 VAL 39 HG22 VAL 39 -2.905 6.335 3.373 224 HG23 VAL 39 HG23 VAL 39 -2.715 6.910 1.712 225 H GLN 40 H GLN 40 -2.467 8.771 5.600 226 HA GLN 40 HA GLN 40 -2.631 11.752 5.325 227 HB2 GLN 40 HB2 GLN 40 -1.141 9.877 7.193 228 HB3 GLN 40 HB3 GLN 40 -0.469 11.451 6.809 229 HG2 GLN 40 HG2 GLN 40 -2.687 12.486 7.471 230 HG3 GLN 40 HG3 GLN 40 -3.152 10.914 8.106 231 HE21 GLN 40 HE21 GLN 40 -3.109 13.061 9.842 232 HE22 GLN 40 HE22 GLN 40 -1.691 12.983 10.889 233 H ASP 41 H ASP 41 -0.458 8.940 4.777 234 HA ASP 41 HA ASP 41 0.999 10.336 2.644 235 HB2 ASP 41 HB2 ASP 41 2.268 9.438 5.260 236 HB3 ASP 41 HB3 ASP 41 3.169 9.854 3.850 237 H VAL 42 H VAL 42 2.536 8.919 1.630 238 HA VAL 42 HA VAL 42 2.483 6.049 2.172 239 HB VAL 42 HB VAL 42 2.059 5.409 -0.105 240 HG11 VAL 42 HG11 VAL 42 -0.324 5.593 -0.140 241 HG12 VAL 42 HG12 VAL 42 0.203 5.437 1.535 242 HG13 VAL 42 HG13 VAL 42 -0.299 7.022 0.909 243 HG21 VAL 42 HG21 VAL 42 1.113 8.213 -0.770 244 HG22 VAL 42 HG22 VAL 42 2.602 7.467 -1.375 245 HG23 VAL 42 HG23 VAL 42 1.051 6.778 -1.830 246 H GLU 43 H GLU 43 4.319 4.930 1.304 247 HA GLU 43 HA GLU 43 6.061 6.370 -0.586 248 HB2 GLU 43 HB2 GLU 43 6.781 6.636 1.874 249 HB3 GLU 43 HB3 GLU 43 7.044 4.899 1.874 250 HG2 GLU 43 HG2 GLU 43 9.042 5.744 1.372 251 HG3 GLU 43 HG3 GLU 43 8.519 5.279 -0.235 252 H VAL 44 H VAL 44 6.669 4.978 -2.219 253 HA VAL 44 HA VAL 44 6.274 2.041 -1.791 254 HB VAL 44 HB VAL 44 6.067 3.718 -4.294 255 HG11 VAL 44 HG11 VAL 44 7.531 1.942 -5.012 256 HG12 VAL 44 HG12 VAL 44 6.570 0.716 -4.133 257 HG13 VAL 44 HG13 VAL 44 5.874 1.570 -5.528 258 HG21 VAL 44 HG21 VAL 44 4.481 1.465 -3.016 259 HG22 VAL 44 HG22 VAL 44 4.047 3.194 -2.929 260 HG23 VAL 44 HG23 VAL 44 3.998 2.306 -4.470 261 H HIS 45 H HIS 45 7.820 0.648 -1.920 262 HA HIS 45 HA HIS 45 10.573 1.550 -2.625 263 HB2 HIS 45 HB2 HIS 45 9.619 -0.288 -0.389 264 HB3 HIS 45 HB3 HIS 45 11.277 -0.277 -0.962 265 HD1 HIS 45 HD1 HIS 45 12.808 1.104 0.502 266 HD2 HIS 45 HD2 HIS 45 8.852 2.530 0.410 267 HE1 HIS 45 HE1 HIS 45 12.778 3.245 1.904 268 H LEU 46 H LEU 46 10.291 0.996 -4.678 269 HA LEU 46 HA LEU 46 9.345 -1.382 -5.848 270 HB2 LEU 46 HB2 LEU 46 10.159 0.998 -6.721 271 HB3 LEU 46 HB3 LEU 46 11.718 0.254 -6.835 272 HG LEU 46 HG LEU 46 9.311 0.071 -8.458 273 HD11 LEU 46 HD11 LEU 46 10.891 -0.094 -10.306 274 HD12 LEU 46 HD12 LEU 46 12.214 -0.419 -9.160 275 HD13 LEU 46 HD13 LEU 46 11.405 1.160 -9.161 276 HD21 LEU 46 HD21 LEU 46 10.914 -2.467 -8.375 277 HD22 LEU 46 HD22 LEU 46 9.643 -2.013 -9.532 278 HD23 LEU 46 HD23 LEU 46 9.212 -2.250 -7.844 279 H GLU 47 H GLU 47 12.536 -0.583 -4.464 280 HA GLU 47 HA GLU 47 13.945 -2.859 -5.519 281 HB2 GLU 47 HB2 GLU 47 14.670 -1.244 -3.049 282 HB3 GLU 47 HB3 GLU 47 15.738 -2.239 -4.048 283 HG2 GLU 47 HG2 GLU 47 15.025 -0.642 -5.994 284 HG3 GLU 47 HG3 GLU 47 14.486 0.434 -4.717 285 H ASP 48 H ASP 48 11.813 -2.651 -2.797 286 HA ASP 48 HA ASP 48 12.627 -5.407 -1.953 287 HB2 ASP 48 HB2 ASP 48 12.274 -3.186 -0.309 288 HB3 ASP 48 HB3 ASP 48 10.692 -3.886 -0.292 289 H GLN 49 H GLN 49 10.435 -3.845 -3.949 290 HA GLN 49 HA GLN 49 8.242 -3.929 -4.467 291 HB2 GLN 49 HB2 GLN 49 8.139 -6.839 -3.710 292 HB3 GLN 49 HB3 GLN 49 7.242 -5.931 -4.934 293 HG2 GLN 49 HG2 GLN 49 8.658 -7.089 -6.278 294 HG3 GLN 49 HG3 GLN 49 9.501 -5.556 -6.115 295 HE21 GLN 49 HE21 GLN 49 9.379 -8.863 -4.628 296 HE22 GLN 49 HE22 GLN 49 11.128 -8.942 -4.398 297 H MET 50 H MET 50 8.720 -2.852 -2.034 298 HA MET 50 HA MET 50 6.505 -3.823 -0.296 299 HB2 MET 50 HB2 MET 50 8.603 -4.078 0.792 300 HB3 MET 50 HB3 MET 50 9.105 -2.431 0.394 301 HG2 MET 50 HG2 MET 50 7.711 -1.451 1.982 302 HG3 MET 50 HG3 MET 50 6.679 -2.870 2.131 303 HE1 MET 50 HE1 MET 50 8.172 -5.336 2.691 304 HE2 MET 50 HE2 MET 50 8.380 -5.275 4.454 305 HE3 MET 50 HE3 MET 50 6.859 -4.717 3.725 306 H VAL 51 H VAL 51 5.130 -2.281 0.726 307 HA VAL 51 HA VAL 51 5.248 0.517 -0.246 308 HB VAL 51 HB VAL 51 2.613 -1.000 -0.019 309 HG11 VAL 51 HG11 VAL 51 2.213 1.313 -0.020 310 HG12 VAL 51 HG12 VAL 51 3.597 1.657 -1.063 311 HG13 VAL 51 HG13 VAL 51 2.145 0.928 -1.766 312 HG21 VAL 51 HG21 VAL 51 3.778 -2.173 -1.715 313 HG22 VAL 51 HG22 VAL 51 2.598 -1.133 -2.503 314 HG23 VAL 51 HG23 VAL 51 4.329 -0.687 -2.503 315 H LEU 52 H LEU 52 4.978 1.986 1.254 316 HA LEU 52 HA LEU 52 4.041 1.258 3.991 317 HB2 LEU 52 HB2 LEU 52 5.670 3.618 2.949 318 HB3 LEU 52 HB3 LEU 52 5.048 3.495 4.567 319 HG LEU 52 HG LEU 52 6.423 1.182 4.579 320 HD11 LEU 52 HD11 LEU 52 7.938 2.816 2.521 321 HD12 LEU 52 HD12 LEU 52 7.174 1.239 2.226 322 HD13 LEU 52 HD13 LEU 52 8.541 1.360 3.333 323 HD21 LEU 52 HD21 LEU 52 8.385 2.408 5.462 324 HD22 LEU 52 HD22 LEU 52 6.874 3.105 6.058 325 HD23 LEU 52 HD23 LEU 52 7.757 3.911 4.746 326 H VAL 53 H VAL 53 2.191 2.007 4.673 327 HA VAL 53 HA VAL 53 0.867 4.277 3.265 328 HB VAL 53 HB VAL 53 -0.509 1.683 4.045 329 HG11 VAL 53 HG11 VAL 53 -1.526 4.126 2.506 330 HG12 VAL 53 HG12 VAL 53 -2.458 2.667 2.895 331 HG13 VAL 53 HG13 VAL 53 -1.932 3.749 4.188 332 HG21 VAL 53 HG21 VAL 53 -0.882 1.379 1.607 333 HG22 VAL 53 HG22 VAL 53 0.236 2.732 1.296 334 HG23 VAL 53 HG23 VAL 53 0.812 1.241 2.072 335 H HIS 54 H HIS 54 0.941 5.798 4.718 336 HA HIS 54 HA HIS 54 0.619 5.345 7.608 337 HB2 HIS 54 HB2 HIS 54 0.889 7.907 6.012 338 HB3 HIS 54 HB3 HIS 54 1.052 7.770 7.727 339 HD1 HIS 54 HD1 HIS 54 3.498 7.701 8.541 340 HD2 HIS 54 HD2 HIS 54 2.963 6.378 4.583 341 HE1 HIS 54 HE1 HIS 54 5.816 7.230 7.612 342 H THR 55 H THR 55 -1.506 4.735 8.056 343 HA THR 55 HA THR 55 -3.727 6.530 7.229 344 HB THR 55 HB THR 55 -3.446 5.013 5.352 345 HG1 THR 55 HG1 THR 55 -5.541 5.647 6.100 346 HG21 THR 55 HG21 THR 55 -3.841 2.640 5.474 347 HG22 THR 55 HG22 THR 55 -4.122 2.700 7.226 348 HG23 THR 55 HG23 THR 55 -2.499 3.005 6.568 349 H THR 56 H THR 56 -5.715 6.199 8.281 350 HA THR 56 HA THR 56 -5.635 4.886 10.928 351 HB THR 56 HB THR 56 -7.819 5.926 11.254 352 HG1 THR 56 HG1 THR 56 -8.686 7.125 9.493 353 HG21 THR 56 HG21 THR 56 -6.107 8.017 9.869 354 HG22 THR 56 HG22 THR 56 -5.800 7.409 11.512 355 HG23 THR 56 HG23 THR 56 -7.313 8.239 11.155 356 H LEU 57 H LEU 57 -6.588 4.044 7.734 357 HA LEU 57 HA LEU 57 -8.931 2.530 8.163 358 HB2 LEU 57 HB2 LEU 57 -6.702 2.289 6.102 359 HB3 LEU 57 HB3 LEU 57 -8.211 1.410 5.968 360 HG LEU 57 HG LEU 57 -7.916 4.449 5.922 361 HD11 LEU 57 HD11 LEU 57 -8.559 4.195 3.584 362 HD12 LEU 57 HD12 LEU 57 -8.694 2.432 3.769 363 HD13 LEU 57 HD13 LEU 57 -7.113 3.241 3.909 364 HD21 LEU 57 HD21 LEU 57 -10.380 2.676 5.745 365 HD22 LEU 57 HD22 LEU 57 -10.343 4.374 5.234 366 HD23 LEU 57 HD23 LEU 57 -10.058 3.973 6.922 367 HA PRO 58 HA PRO 58 -7.500 -1.321 9.860 368 HB2 PRO 58 HB2 PRO 58 -9.449 -2.887 8.324 369 HB3 PRO 58 HB3 PRO 58 -9.454 -2.522 10.070 370 HG2 PRO 58 HG2 PRO 58 -11.322 -1.456 8.340 371 HG3 PRO 58 HG3 PRO 58 -10.706 -0.547 9.763 372 HD2 PRO 58 HD2 PRO 58 -9.645 -0.485 6.927 373 HD3 PRO 58 HD3 PRO 58 -10.243 0.891 7.818 374 H SER 59 H SER 59 -5.815 -2.787 9.137 375 HA SER 59 HA SER 59 -4.876 -2.494 6.500 376 HB2 SER 59 HB2 SER 59 -3.892 -4.985 7.601 377 HB3 SER 59 HB3 SER 59 -3.042 -3.482 7.222 378 HG SER 59 HG SER 59 -4.107 -4.432 9.609 379 H GLN 60 H GLN 60 -7.353 -4.653 7.591 380 HA GLN 60 HA GLN 60 -7.601 -6.432 5.404 381 HB2 GLN 60 HB2 GLN 60 -9.808 -4.990 6.938 382 HB3 GLN 60 HB3 GLN 60 -10.001 -6.398 5.904 383 HG2 GLN 60 HG2 GLN 60 -10.019 -7.319 8.017 384 HG3 GLN 60 HG3 GLN 60 -8.357 -7.602 7.548 385 HE21 GLN 60 HE21 GLN 60 -10.408 -5.712 9.714 386 HE22 GLN 60 HE22 GLN 60 -9.019 -5.560 10.800 387 H GLU 61 H GLU 61 -8.714 -3.023 5.713 388 HA GLU 61 HA GLU 61 -10.033 -2.942 3.120 389 HB2 GLU 61 HB2 GLU 61 -10.609 -1.500 5.200 390 HB3 GLU 61 HB3 GLU 61 -9.176 -0.527 4.776 391 HG2 GLU 61 HG2 GLU 61 -10.153 -0.315 2.461 392 HG3 GLU 61 HG3 GLU 61 -11.617 -1.101 3.113 393 H VAL 62 H VAL 62 -6.887 -1.773 4.425 394 HA VAL 62 HA VAL 62 -6.025 -0.541 2.025 395 HB VAL 62 HB VAL 62 -4.249 -1.740 4.189 396 HG11 VAL 62 HG11 VAL 62 -3.967 0.681 2.359 397 HG12 VAL 62 HG12 VAL 62 -2.785 0.188 3.595 398 HG13 VAL 62 HG13 VAL 62 -3.090 -0.853 2.198 399 HG21 VAL 62 HG21 VAL 62 -4.322 0.374 5.389 400 HG22 VAL 62 HG22 VAL 62 -5.570 0.997 4.273 401 HG23 VAL 62 HG23 VAL 62 -5.904 -0.361 5.371 402 H GLN 63 H GLN 63 -5.626 -3.901 3.282 403 HA GLN 63 HA GLN 63 -4.023 -4.866 1.098 404 HB2 GLN 63 HB2 GLN 63 -4.401 -6.193 3.128 405 HB3 GLN 63 HB3 GLN 63 -6.105 -6.321 2.772 406 HG2 GLN 63 HG2 GLN 63 -5.486 -7.450 0.575 407 HG3 GLN 63 HG3 GLN 63 -3.777 -7.393 1.118 408 HE21 GLN 63 HE21 GLN 63 -3.205 -9.483 1.560 409 HE22 GLN 63 HE22 GLN 63 -4.144 -10.602 2.515 410 H ALA 64 H ALA 64 -7.598 -4.324 1.344 411 HA ALA 64 HA ALA 64 -8.019 -5.639 -1.202 412 HB1 ALA 64 HB1 ALA 64 -9.717 -5.525 0.660 413 HB2 ALA 64 HB2 ALA 64 -9.836 -3.774 0.426 414 HB3 ALA 64 HB3 ALA 64 -10.347 -4.878 -0.870 415 H LEU 65 H LEU 65 -7.434 -2.307 -0.085 416 HA LEU 65 HA LEU 65 -7.884 -0.974 -2.537 417 HB2 LEU 65 HB2 LEU 65 -6.267 -0.373 -0.088 418 HB3 LEU 65 HB3 LEU 65 -6.164 0.670 -1.478 419 HG LEU 65 HG LEU 65 -8.827 -0.037 -0.148 420 HD11 LEU 65 HD11 LEU 65 -7.422 1.109 1.483 421 HD12 LEU 65 HD12 LEU 65 -8.676 2.206 0.896 422 HD13 LEU 65 HD13 LEU 65 -7.008 2.360 0.284 423 HD21 LEU 65 HD21 LEU 65 -9.073 0.814 -2.433 424 HD22 LEU 65 HD22 LEU 65 -7.969 2.165 -2.089 425 HD23 LEU 65 HD23 LEU 65 -9.550 2.070 -1.291 426 H LEU 66 H LEU 66 -5.036 -2.514 -1.198 427 HA LEU 66 HA LEU 66 -3.253 -2.089 -3.443 428 HB2 LEU 66 HB2 LEU 66 -3.248 -4.026 -1.097 429 HB3 LEU 66 HB3 LEU 66 -1.910 -3.864 -2.220 430 HG LEU 66 HG LEU 66 -2.905 -1.400 -0.743 431 HD11 LEU 66 HD11 LEU 66 -2.570 -3.018 1.061 432 HD12 LEU 66 HD12 LEU 66 -1.256 -1.860 1.041 433 HD13 LEU 66 HD13 LEU 66 -0.996 -3.491 0.378 434 HD21 LEU 66 HD21 LEU 66 -0.160 -2.261 -1.724 435 HD22 LEU 66 HD22 LEU 66 -0.571 -0.712 -0.972 436 HD23 LEU 66 HD23 LEU 66 -1.251 -1.127 -2.555 437 H GLU 67 H GLU 67 -5.368 -4.850 -2.503 438 HA GLU 67 HA GLU 67 -4.664 -6.559 -4.690 439 HB2 GLU 67 HB2 GLU 67 -6.923 -6.401 -2.696 440 HB3 GLU 67 HB3 GLU 67 -7.078 -7.502 -3.997 441 HG2 GLU 67 HG2 GLU 67 -4.590 -8.229 -3.248 442 HG3 GLU 67 HG3 GLU 67 -5.085 -7.536 -1.728 443 H GLY 68 H GLY 68 -7.135 -3.994 -4.480 444 HA2 GLY 68 HA2 GLY 68 -8.470 -4.416 -6.940 445 HA3 GLY 68 HA3 GLY 68 -8.241 -2.858 -6.140 446 H THR 69 H THR 69 -5.158 -3.610 -6.546 447 HA THR 69 HA THR 69 -4.813 -2.263 -9.127 448 HB THR 69 HB THR 69 -2.464 -2.153 -8.600 449 HG1 THR 69 HG1 THR 69 -2.885 -3.711 -6.312 450 HG21 THR 69 HG21 THR 69 -2.530 -0.913 -6.596 451 HG22 THR 69 HG22 THR 69 -4.014 -1.697 -6.041 452 HG23 THR 69 HG23 THR 69 -4.026 -0.642 -7.475 453 H GLY 70 H GLY 70 -5.516 -5.409 -8.382 454 HA2 GLY 70 HA2 GLY 70 -5.779 -7.151 -9.908 455 HA3 GLY 70 HA3 GLY 70 -4.621 -6.415 -11.010 456 H ARG 71 H ARG 71 -3.699 -6.810 -7.645 457 HA ARG 71 HA ARG 71 -1.674 -8.850 -8.402 458 HB2 ARG 71 HB2 ARG 71 -1.346 -6.286 -6.782 459 HB3 ARG 71 HB3 ARG 71 -0.054 -7.424 -7.187 460 HG2 ARG 71 HG2 ARG 71 -0.260 -6.897 -9.568 461 HG3 ARG 71 HG3 ARG 71 -1.638 -5.829 -9.250 462 HD2 ARG 71 HD2 ARG 71 -0.195 -4.442 -7.754 463 HD3 ARG 71 HD3 ARG 71 1.180 -5.411 -8.250 464 HE ARG 71 HE ARG 71 -0.323 -3.418 -9.848 465 HH11 ARG 71 HH11 ARG 71 2.115 -5.958 -10.108 466 HH12 ARG 71 HH12 ARG 71 2.280 -5.635 -11.822 467 HH21 ARG 71 HH21 ARG 71 0.150 -2.959 -11.854 468 HH22 ARG 71 HH22 ARG 71 1.574 -3.673 -12.611 469 H GLN 72 H GLN 72 -0.457 -9.605 -6.545 470 HA GLN 72 HA GLN 72 -2.074 -10.262 -4.171 471 HB2 GLN 72 HB2 GLN 72 -0.526 -11.869 -5.293 472 HB3 GLN 72 HB3 GLN 72 0.831 -10.926 -4.690 473 HG2 GLN 72 HG2 GLN 72 0.782 -12.455 -3.021 474 HG3 GLN 72 HG3 GLN 72 -0.495 -11.461 -2.338 475 HE21 GLN 72 HE21 GLN 72 -2.806 -12.181 -2.858 476 HE22 GLN 72 HE22 GLN 72 -3.064 -13.889 -3.181 477 H ALA 73 H ALA 73 -1.685 -9.598 -2.219 478 HA ALA 73 HA ALA 73 0.335 -7.523 -1.457 479 HB1 ALA 73 HB1 ALA 73 -1.431 -6.033 -0.608 480 HB2 ALA 73 HB2 ALA 73 -1.618 -6.279 -2.360 481 HB3 ALA 73 HB3 ALA 73 -2.687 -7.128 -1.227 482 H VAL 74 H VAL 74 1.235 -8.239 0.328 483 HA VAL 74 HA VAL 74 -0.350 -9.691 2.426 484 HB VAL 74 HB VAL 74 2.434 -10.270 1.364 485 HG11 VAL 74 HG11 VAL 74 2.444 -12.181 2.971 486 HG12 VAL 74 HG12 VAL 74 2.485 -10.625 3.789 487 HG13 VAL 74 HG13 VAL 74 0.958 -11.544 3.710 488 HG21 VAL 74 HG21 VAL 74 1.450 -12.510 0.867 489 HG22 VAL 74 HG22 VAL 74 -0.130 -11.886 1.418 490 HG23 VAL 74 HG23 VAL 74 0.650 -11.215 -0.034 491 H LEU 75 H LEU 75 -0.355 -8.555 4.200 492 HA LEU 75 HA LEU 75 1.537 -6.477 4.776 493 HB2 LEU 75 HB2 LEU 75 -0.775 -6.547 5.415 494 HB3 LEU 75 HB3 LEU 75 -0.467 -7.772 6.590 495 HG LEU 75 HG LEU 75 0.691 -6.262 8.063 496 HD11 LEU 75 HD11 LEU 75 1.046 -3.779 7.209 497 HD12 LEU 75 HD12 LEU 75 1.072 -4.500 5.604 498 HD13 LEU 75 HD13 LEU 75 2.268 -4.964 6.852 499 HD21 LEU 75 HD21 LEU 75 -0.793 -4.347 8.111 500 HD22 LEU 75 HD22 LEU 75 -1.722 -5.786 7.561 501 HD23 LEU 75 HD23 LEU 75 -1.102 -4.604 6.353 502 H LYS 76 H LYS 76 3.180 -6.278 6.001 503 HA LYS 76 HA LYS 76 4.505 -8.711 7.151 504 HB2 LYS 76 HB2 LYS 76 5.778 -6.102 6.276 505 HB3 LYS 76 HB3 LYS 76 6.603 -7.504 6.886 506 HG2 LYS 76 HG2 LYS 76 4.942 -7.506 4.324 507 HG3 LYS 76 HG3 LYS 76 6.674 -7.246 4.387 508 HD2 LYS 76 HD2 LYS 76 5.288 -9.798 5.322 509 HD3 LYS 76 HD3 LYS 76 6.056 -9.555 3.748 510 HE2 LYS 76 HE2 LYS 76 8.216 -9.042 4.894 511 HE3 LYS 76 HE3 LYS 76 7.470 -9.419 6.451 512 HZ1 LYS 76 HZ1 LYS 76 8.711 -11.273 5.450 513 HZ2 LYS 76 HZ2 LYS 76 7.635 -11.358 4.204 514 HZ3 LYS 76 HZ3 LYS 76 7.167 -11.660 5.772 515 H GLY 77 H GLY 77 3.613 -5.395 7.972 516 HA2 GLY 77 HA2 GLY 77 2.406 -6.109 10.260 517 HA3 GLY 77 HA3 GLY 77 4.044 -5.765 10.834 518 H MET 78 H MET 78 2.614 -4.298 12.054 519 HA MET 78 HA MET 78 2.021 -1.690 10.826 520 HB2 MET 78 HB2 MET 78 1.608 -2.740 13.669 521 HB3 MET 78 HB3 MET 78 1.162 -1.155 13.059 522 HG2 MET 78 HG2 MET 78 -0.856 -2.278 12.910 523 HG3 MET 78 HG3 MET 78 -0.225 -2.430 11.276 524 HE1 MET 78 HE1 MET 78 -2.527 -4.203 11.750 525 HE2 MET 78 HE2 MET 78 -1.423 -4.311 10.361 526 HE3 MET 78 HE3 MET 78 -1.905 -5.787 11.225 527 H GLY 79 H GLY 79 3.396 0.008 11.082 528 HA2 GLY 79 HA2 GLY 79 5.411 1.092 11.420 529 HA3 GLY 79 HA3 GLY 79 5.573 0.259 12.970 Start of MODEL 18 1 H GLY 9 H GLY 9 -9.715 3.683 10.699 2 HA2 GLY 9 HA2 GLY 9 -9.957 3.104 13.632 3 HA3 GLY 9 HA3 GLY 9 -8.664 2.559 12.562 4 H THR 10 H THR 10 -6.847 3.578 13.335 5 HA THR 10 HA THR 10 -6.789 6.545 13.408 6 HB THR 10 HB THR 10 -7.120 5.766 15.678 7 HG1 THR 10 HG1 THR 10 -5.897 7.252 16.327 8 HG21 THR 10 HG21 THR 10 -5.836 3.609 15.553 9 HG22 THR 10 HG22 THR 10 -5.362 4.640 16.916 10 HG23 THR 10 HG23 THR 10 -4.330 4.543 15.471 11 H LEU 11 H LEU 11 -4.662 7.430 13.245 12 HA LEU 11 HA LEU 11 -3.508 6.346 10.902 13 HB2 LEU 11 HB2 LEU 11 -3.594 8.838 11.937 14 HB3 LEU 11 HB3 LEU 11 -1.983 8.352 12.463 15 HG LEU 11 HG LEU 11 -1.864 9.700 10.509 16 HD11 LEU 11 HD11 LEU 11 -0.455 8.482 9.079 17 HD12 LEU 11 HD12 LEU 11 -1.144 6.916 9.567 18 HD13 LEU 11 HD13 LEU 11 -0.173 7.871 10.718 19 HD21 LEU 11 HD21 LEU 11 -3.949 9.342 9.411 20 HD22 LEU 11 HD22 LEU 11 -3.608 7.620 9.166 21 HD23 LEU 11 HD23 LEU 11 -2.676 8.823 8.284 22 H CYS 12 H CYS 12 -1.993 5.066 10.532 23 HA CYS 12 HA CYS 12 0.174 4.225 12.378 24 HB2 CYS 12 HB2 CYS 12 -2.044 2.435 11.285 25 HB3 CYS 12 HB3 CYS 12 -0.539 1.825 12.007 26 HG CYS 12 HG CYS 12 -2.924 3.672 13.342 27 H THR 13 H THR 13 1.823 3.012 11.264 28 HA THR 13 HA THR 13 1.932 3.430 8.282 29 HB THR 13 HB THR 13 4.115 2.522 10.192 30 HG1 THR 13 HG1 THR 13 4.904 4.611 9.989 31 HG21 THR 13 HG21 THR 13 5.617 3.265 8.374 32 HG22 THR 13 HG22 THR 13 4.200 3.608 7.354 33 HG23 THR 13 HG23 THR 13 4.560 1.938 7.861 34 H LEU 14 H LEU 14 0.899 1.734 7.273 35 HA LEU 14 HA LEU 14 1.334 -1.057 8.252 36 HB2 LEU 14 HB2 LEU 14 -0.599 0.316 6.390 37 HB3 LEU 14 HB3 LEU 14 -0.314 -1.417 6.281 38 HG LEU 14 HG LEU 14 -1.213 -1.904 8.362 39 HD11 LEU 14 HD11 LEU 14 -1.946 -0.303 10.048 40 HD12 LEU 14 HD12 LEU 14 -1.258 1.039 9.102 41 HD13 LEU 14 HD13 LEU 14 -0.205 -0.219 9.803 42 HD21 LEU 14 HD21 LEU 14 -3.461 -0.930 8.294 43 HD22 LEU 14 HD22 LEU 14 -2.889 -1.221 6.637 44 HD23 LEU 14 HD23 LEU 14 -2.879 0.420 7.310 45 H GLU 15 H GLU 15 3.090 -2.080 7.556 46 HA GLU 15 HA GLU 15 4.318 -1.277 4.981 47 HB2 GLU 15 HB2 GLU 15 6.295 -1.443 5.985 48 HB3 GLU 15 HB3 GLU 15 5.341 -1.415 7.482 49 HG2 GLU 15 HG2 GLU 15 5.288 -3.890 7.378 50 HG3 GLU 15 HG3 GLU 15 6.528 -3.771 6.116 51 H PHE 16 H PHE 16 3.353 -2.305 3.415 52 HA PHE 16 HA PHE 16 2.645 -5.200 3.626 53 HB2 PHE 16 HB2 PHE 16 1.717 -2.934 1.819 54 HB3 PHE 16 HB3 PHE 16 1.366 -4.604 1.472 55 HD1 PHE 16 HD1 PHE 16 -0.095 -6.019 2.833 56 HD2 PHE 16 HD2 PHE 16 0.406 -1.793 3.552 57 HE1 PHE 16 HE1 PHE 16 -2.358 -5.929 3.840 58 HE2 PHE 16 HE2 PHE 16 -1.828 -1.727 4.625 59 HZ PHE 16 HZ PHE 16 -3.235 -3.795 4.706 60 H ALA 17 H ALA 17 3.158 -6.717 2.168 61 HA ALA 17 HA ALA 17 5.307 -6.137 0.156 62 HB1 ALA 17 HB1 ALA 17 5.686 -8.560 0.176 63 HB2 ALA 17 HB2 ALA 17 5.837 -7.871 1.804 64 HB3 ALA 17 HB3 ALA 17 4.373 -8.772 1.352 65 H VAL 18 H VAL 18 4.817 -6.065 -1.964 66 HA VAL 18 HA VAL 18 2.331 -7.257 -3.030 67 HB VAL 18 HB VAL 18 1.769 -5.044 -4.103 68 HG11 VAL 18 HG11 VAL 18 0.477 -5.883 -2.162 69 HG12 VAL 18 HG12 VAL 18 1.606 -5.037 -1.054 70 HG13 VAL 18 HG13 VAL 18 0.599 -4.124 -2.177 71 HG21 VAL 18 HG21 VAL 18 3.461 -3.893 -1.861 72 HG22 VAL 18 HG22 VAL 18 3.964 -3.911 -3.561 73 HG23 VAL 18 HG23 VAL 18 2.507 -3.015 -3.077 74 H GLN 19 H GLN 19 2.481 -8.086 -5.020 75 HA GLN 19 HA GLN 19 5.115 -7.959 -6.187 76 HB2 GLN 19 HB2 GLN 19 4.571 -9.822 -7.451 77 HB3 GLN 19 HB3 GLN 19 3.873 -10.000 -5.866 78 HG2 GLN 19 HG2 GLN 19 2.088 -10.757 -6.983 79 HG3 GLN 19 HG3 GLN 19 1.662 -9.060 -7.116 80 HE21 GLN 19 HE21 GLN 19 0.504 -10.708 -8.952 81 HE22 GLN 19 HE22 GLN 19 1.318 -10.518 -10.516 82 H MET 20 H MET 20 5.776 -6.245 -7.247 83 HA MET 20 HA MET 20 4.619 -5.709 -9.914 84 HB2 MET 20 HB2 MET 20 5.122 -3.218 -9.463 85 HB3 MET 20 HB3 MET 20 3.620 -3.902 -8.850 86 HG2 MET 20 HG2 MET 20 4.427 -3.989 -6.604 87 HG3 MET 20 HG3 MET 20 6.087 -3.629 -7.113 88 HE1 MET 20 HE1 MET 20 4.110 -2.179 -4.894 89 HE2 MET 20 HE2 MET 20 5.859 -1.893 -5.034 90 HE3 MET 20 HE3 MET 20 4.692 -0.509 -5.023 91 H THR 21 H THR 21 6.169 -4.672 -11.420 92 HA THR 21 HA THR 21 9.003 -5.330 -10.695 93 HB THR 21 HB THR 21 9.222 -6.378 -12.944 94 HG1 THR 21 HG1 THR 21 7.227 -7.083 -13.870 95 HG21 THR 21 HG21 THR 21 7.122 -7.700 -11.179 96 HG22 THR 21 HG22 THR 21 8.870 -7.728 -10.885 97 HG23 THR 21 HG23 THR 21 8.215 -8.483 -12.342 98 H CYS 22 H CYS 22 7.152 -2.974 -12.589 99 HA CYS 22 HA CYS 22 9.755 -1.711 -13.231 100 HB2 CYS 22 HB2 CYS 22 9.495 -1.669 -15.481 101 HB3 CYS 22 HB3 CYS 22 8.812 -3.218 -15.116 102 H GLN 23 H GLN 23 9.365 0.528 -14.287 103 HA GLN 23 HA GLN 23 8.520 2.092 -12.096 104 HB2 GLN 23 HB2 GLN 23 9.398 2.839 -14.883 105 HB3 GLN 23 HB3 GLN 23 8.953 4.050 -13.684 106 HG2 GLN 23 HG2 GLN 23 11.173 1.995 -13.362 107 HG3 GLN 23 HG3 GLN 23 11.362 3.715 -13.709 108 HE21 GLN 23 HE21 GLN 23 11.467 1.495 -11.174 109 HE22 GLN 23 HE22 GLN 23 11.093 2.592 -9.856 110 H SER 24 H SER 24 6.474 1.088 -14.746 111 HA SER 24 HA SER 24 4.513 3.229 -14.261 112 HB2 SER 24 HB2 SER 24 4.261 0.675 -15.884 113 HB3 SER 24 HB3 SER 24 3.084 2.007 -15.818 114 HG SER 24 HG SER 24 4.338 2.512 -17.531 115 H CYS 25 H CYS 25 5.123 0.050 -12.864 116 HA CYS 25 HA CYS 25 2.368 -0.344 -11.959 117 HB2 CYS 25 HB2 CYS 25 4.985 -1.765 -11.325 118 HB3 CYS 25 HB3 CYS 25 3.376 -2.284 -10.831 119 H VAL 26 H VAL 26 5.460 0.691 -10.619 120 HA VAL 26 HA VAL 26 4.953 1.170 -7.918 121 HB VAL 26 HB VAL 26 6.392 3.311 -9.468 122 HG11 VAL 26 HG11 VAL 26 7.346 1.509 -7.191 123 HG12 VAL 26 HG12 VAL 26 8.182 2.919 -7.834 124 HG13 VAL 26 HG13 VAL 26 6.645 3.148 -6.990 125 HG21 VAL 26 HG21 VAL 26 7.288 0.469 -9.544 126 HG22 VAL 26 HG22 VAL 26 6.949 1.589 -10.865 127 HG23 VAL 26 HG23 VAL 26 8.365 1.870 -9.840 128 H ASP 27 H ASP 27 4.374 3.357 -10.687 129 HA ASP 27 HA ASP 27 3.003 5.440 -9.308 130 HB2 ASP 27 HB2 ASP 27 4.066 5.246 -11.726 131 HB3 ASP 27 HB3 ASP 27 2.492 4.629 -12.172 132 H ALA 28 H ALA 28 1.816 2.446 -10.878 133 HA ALA 28 HA ALA 28 -0.966 3.237 -10.791 134 HB1 ALA 28 HB1 ALA 28 -0.033 1.637 -12.434 135 HB2 ALA 28 HB2 ALA 28 0.296 0.482 -11.124 136 HB3 ALA 28 HB3 ALA 28 -1.379 0.932 -11.509 137 H VAL 29 H VAL 29 1.074 1.119 -8.663 138 HA VAL 29 HA VAL 29 -1.099 0.571 -6.916 139 HB VAL 29 HB VAL 29 1.884 0.241 -6.416 140 HG11 VAL 29 HG11 VAL 29 -0.540 -1.232 -5.320 141 HG12 VAL 29 HG12 VAL 29 1.157 -1.498 -4.858 142 HG13 VAL 29 HG13 VAL 29 0.361 0.024 -4.416 143 HG21 VAL 29 HG21 VAL 29 1.568 -2.106 -7.134 144 HG22 VAL 29 HG22 VAL 29 -0.137 -1.788 -7.518 145 HG23 VAL 29 HG23 VAL 29 1.136 -1.057 -8.478 146 H ARG 30 H ARG 30 1.440 3.118 -6.896 147 HA ARG 30 HA ARG 30 0.692 4.331 -4.370 148 HB2 ARG 30 HB2 ARG 30 1.725 5.445 -7.046 149 HB3 ARG 30 HB3 ARG 30 1.480 6.479 -5.644 150 HG2 ARG 30 HG2 ARG 30 3.260 5.526 -4.422 151 HG3 ARG 30 HG3 ARG 30 3.302 4.092 -5.435 152 HD2 ARG 30 HD2 ARG 30 4.994 5.053 -6.552 153 HD3 ARG 30 HD3 ARG 30 3.793 6.064 -7.327 154 HE ARG 30 HE ARG 30 4.353 7.539 -5.074 155 HH11 ARG 30 HH11 ARG 30 6.182 6.604 -7.844 156 HH12 ARG 30 HH12 ARG 30 7.597 7.476 -7.358 157 HH21 ARG 30 HH21 ARG 30 6.046 8.851 -4.654 158 HH22 ARG 30 HH22 ARG 30 7.556 8.704 -5.569 159 H LYS 31 H LYS 31 -0.623 4.715 -7.670 160 HA LYS 31 HA LYS 31 -2.469 6.729 -6.836 161 HB2 LYS 31 HB2 LYS 31 -2.049 5.255 -9.412 162 HB3 LYS 31 HB3 LYS 31 -3.374 6.432 -9.182 163 HG2 LYS 31 HG2 LYS 31 -1.835 8.130 -8.395 164 HG3 LYS 31 HG3 LYS 31 -0.477 6.992 -8.427 165 HD2 LYS 31 HD2 LYS 31 -0.526 6.922 -10.851 166 HD3 LYS 31 HD3 LYS 31 -1.910 8.066 -10.879 167 HE2 LYS 31 HE2 LYS 31 -0.640 9.711 -9.606 168 HE3 LYS 31 HE3 LYS 31 0.675 8.575 -9.342 169 HZ1 LYS 31 HZ1 LYS 31 1.080 10.225 -11.154 170 HZ2 LYS 31 HZ2 LYS 31 -0.104 9.547 -12.035 171 HZ3 LYS 31 HZ3 LYS 31 1.225 8.636 -11.655 172 H SER 32 H SER 32 -2.860 3.279 -6.623 173 HA SER 32 HA SER 32 -5.761 3.458 -6.178 174 HB2 SER 32 HB2 SER 32 -4.710 1.308 -6.692 175 HB3 SER 32 HB3 SER 32 -3.782 1.382 -5.174 176 HG SER 32 HG SER 32 -5.689 0.156 -4.852 177 H LEU 33 H LEU 33 -2.894 4.223 -4.262 178 HA LEU 33 HA LEU 33 -4.385 4.431 -1.723 179 HB2 LEU 33 HB2 LEU 33 -1.521 5.256 -2.304 180 HB3 LEU 33 HB3 LEU 33 -2.228 4.883 -0.746 181 HG LEU 33 HG LEU 33 -1.873 2.800 -2.942 182 HD11 LEU 33 HD11 LEU 33 0.117 2.036 -1.844 183 HD12 LEU 33 HD12 LEU 33 -0.010 3.319 -0.614 184 HD13 LEU 33 HD13 LEU 33 0.330 3.727 -2.305 185 HD21 LEU 33 HD21 LEU 33 -2.243 2.505 0.043 186 HD22 LEU 33 HD22 LEU 33 -2.054 1.208 -1.160 187 HD23 LEU 33 HD23 LEU 33 -3.499 2.231 -1.199 188 H GLN 34 H GLN 34 -2.926 6.589 -4.150 189 HA GLN 34 HA GLN 34 -3.184 9.001 -2.674 190 HB2 GLN 34 HB2 GLN 34 -2.680 8.239 -5.524 191 HB3 GLN 34 HB3 GLN 34 -3.033 9.906 -5.206 192 HG2 GLN 34 HG2 GLN 34 -1.171 10.152 -3.702 193 HG3 GLN 34 HG3 GLN 34 -0.916 8.409 -3.611 194 HE21 GLN 34 HE21 GLN 34 0.647 11.024 -4.809 195 HE22 GLN 34 HE22 GLN 34 1.228 10.305 -6.316 196 H GLY 35 H GLY 35 -4.616 10.466 -2.484 197 HA2 GLY 35 HA2 GLY 35 -6.621 11.632 -2.548 198 HA3 GLY 35 HA3 GLY 35 -7.103 10.695 -3.962 199 H VAL 36 H VAL 36 -6.396 8.543 -1.314 200 HA VAL 36 HA VAL 36 -9.211 7.870 -1.167 201 HB VAL 36 HB VAL 36 -6.722 6.608 0.038 202 HG11 VAL 36 HG11 VAL 36 -8.157 4.608 0.433 203 HG12 VAL 36 HG12 VAL 36 -8.598 5.963 1.459 204 HG13 VAL 36 HG13 VAL 36 -9.592 5.571 0.032 205 HG21 VAL 36 HG21 VAL 36 -8.545 5.751 -2.264 206 HG22 VAL 36 HG22 VAL 36 -6.913 6.422 -2.448 207 HG23 VAL 36 HG23 VAL 36 -7.134 4.863 -1.653 208 H ALA 37 H ALA 37 -10.399 7.790 0.589 209 HA ALA 37 HA ALA 37 -10.185 9.807 2.653 210 HB1 ALA 37 HB1 ALA 37 -12.013 7.378 2.421 211 HB2 ALA 37 HB2 ALA 37 -12.216 8.741 3.539 212 HB3 ALA 37 HB3 ALA 37 -12.347 9.008 1.789 213 H GLY 38 H GLY 38 -8.641 9.698 4.195 214 HA2 GLY 38 HA2 GLY 38 -8.067 8.893 6.360 215 HA3 GLY 38 HA3 GLY 38 -8.456 7.246 5.876 216 H VAL 39 H VAL 39 -6.587 8.839 3.452 217 HA VAL 39 HA VAL 39 -4.082 7.580 4.448 218 HB VAL 39 HB VAL 39 -5.072 7.285 2.068 219 HG11 VAL 39 HG11 VAL 39 -5.288 9.673 1.473 220 HG12 VAL 39 HG12 VAL 39 -3.519 9.852 1.556 221 HG13 VAL 39 HG13 VAL 39 -4.254 8.778 0.358 222 HG21 VAL 39 HG21 VAL 39 -2.115 7.943 2.474 223 HG22 VAL 39 HG22 VAL 39 -2.897 6.391 2.848 224 HG23 VAL 39 HG23 VAL 39 -2.806 6.953 1.173 225 H GLN 40 H GLN 40 -2.305 8.743 5.089 226 HA GLN 40 HA GLN 40 -2.350 11.728 4.793 227 HB2 GLN 40 HB2 GLN 40 -1.113 9.849 6.829 228 HB3 GLN 40 HB3 GLN 40 -0.386 11.405 6.498 229 HG2 GLN 40 HG2 GLN 40 -2.629 12.495 6.937 230 HG3 GLN 40 HG3 GLN 40 -3.201 10.919 7.480 231 HE21 GLN 40 HE21 GLN 40 -3.569 12.495 9.475 232 HE22 GLN 40 HE22 GLN 40 -2.223 12.517 10.619 233 H ASP 41 H ASP 41 -0.221 8.845 4.525 234 HA ASP 41 HA ASP 41 1.438 10.128 2.459 235 HB2 ASP 41 HB2 ASP 41 2.481 9.264 5.193 236 HB3 ASP 41 HB3 ASP 41 3.498 9.566 3.821 237 H VAL 42 H VAL 42 3.024 8.610 1.646 238 HA VAL 42 HA VAL 42 2.648 5.713 2.072 239 HB VAL 42 HB VAL 42 2.451 5.309 -0.356 240 HG11 VAL 42 HG11 VAL 42 0.076 5.761 -0.592 241 HG12 VAL 42 HG12 VAL 42 0.438 5.251 1.069 242 HG13 VAL 42 HG13 VAL 42 0.128 6.962 0.702 243 HG21 VAL 42 HG21 VAL 42 1.814 8.274 -0.671 244 HG22 VAL 42 HG22 VAL 42 3.260 7.455 -1.293 245 HG23 VAL 42 HG23 VAL 42 1.668 7.028 -1.922 246 H GLU 43 H GLU 43 4.441 4.482 1.272 247 HA GLU 43 HA GLU 43 6.587 5.898 -0.177 248 HB2 GLU 43 HB2 GLU 43 7.059 6.337 2.237 249 HB3 GLU 43 HB3 GLU 43 7.155 4.599 2.519 250 HG2 GLU 43 HG2 GLU 43 9.066 4.422 0.999 251 HG3 GLU 43 HG3 GLU 43 8.920 6.131 0.581 252 H VAL 44 H VAL 44 6.887 4.576 -1.889 253 HA VAL 44 HA VAL 44 6.689 1.639 -1.483 254 HB VAL 44 HB VAL 44 5.220 2.144 -3.113 255 HG11 VAL 44 HG11 VAL 44 5.770 4.424 -3.723 256 HG12 VAL 44 HG12 VAL 44 7.199 3.850 -4.625 257 HG13 VAL 44 HG13 VAL 44 5.548 3.361 -5.116 258 HG21 VAL 44 HG21 VAL 44 6.056 1.101 -5.156 259 HG22 VAL 44 HG22 VAL 44 7.725 1.406 -4.694 260 HG23 VAL 44 HG23 VAL 44 6.752 0.257 -3.755 261 H HIS 45 H HIS 45 8.179 0.308 -1.674 262 HA HIS 45 HA HIS 45 10.819 1.062 -2.790 263 HB2 HIS 45 HB2 HIS 45 10.166 -0.756 -0.415 264 HB3 HIS 45 HB3 HIS 45 11.745 -0.659 -1.174 265 HD1 HIS 45 HD1 HIS 45 13.373 1.006 -0.037 266 HD2 HIS 45 HD2 HIS 45 9.292 1.719 0.776 267 HE1 HIS 45 HE1 HIS 45 13.295 2.962 1.579 268 H LEU 46 H LEU 46 10.241 0.349 -4.838 269 HA LEU 46 HA LEU 46 9.210 -2.231 -5.539 270 HB2 LEU 46 HB2 LEU 46 9.322 -0.297 -6.943 271 HB3 LEU 46 HB3 LEU 46 11.049 -0.322 -6.986 272 HG LEU 46 HG LEU 46 11.185 -1.974 -8.587 273 HD11 LEU 46 HD11 LEU 46 8.628 -3.249 -7.478 274 HD12 LEU 46 HD12 LEU 46 10.258 -3.976 -7.602 275 HD13 LEU 46 HD13 LEU 46 9.346 -3.695 -9.037 276 HD21 LEU 46 HD21 LEU 46 9.269 -1.744 -10.125 277 HD22 LEU 46 HD22 LEU 46 9.580 -0.192 -9.320 278 HD23 LEU 46 HD23 LEU 46 8.260 -1.261 -8.723 279 H GLU 47 H GLU 47 12.427 -0.997 -4.874 280 HA GLU 47 HA GLU 47 13.900 -3.404 -5.443 281 HB2 GLU 47 HB2 GLU 47 14.543 -0.932 -3.822 282 HB3 GLU 47 HB3 GLU 47 15.718 -2.226 -4.106 283 HG2 GLU 47 HG2 GLU 47 15.934 -1.783 -6.356 284 HG3 GLU 47 HG3 GLU 47 14.278 -1.241 -6.556 285 H ASP 48 H ASP 48 11.707 -2.978 -2.901 286 HA ASP 48 HA ASP 48 12.680 -5.591 -1.838 287 HB2 ASP 48 HB2 ASP 48 12.487 -3.374 -0.216 288 HB3 ASP 48 HB3 ASP 48 10.862 -3.964 -0.120 289 H GLN 49 H GLN 49 10.466 -4.303 -3.857 290 HA GLN 49 HA GLN 49 8.245 -4.336 -4.330 291 HB2 GLN 49 HB2 GLN 49 8.383 -7.215 -3.366 292 HB3 GLN 49 HB3 GLN 49 7.186 -6.528 -4.439 293 HG2 GLN 49 HG2 GLN 49 8.900 -5.996 -6.128 294 HG3 GLN 49 HG3 GLN 49 9.950 -6.993 -5.113 295 HE21 GLN 49 HE21 GLN 49 8.084 -7.221 -7.874 296 HE22 GLN 49 HE22 GLN 49 7.785 -8.962 -7.771 297 H MET 50 H MET 50 8.846 -3.252 -1.822 298 HA MET 50 HA MET 50 6.551 -4.085 -0.130 299 HB2 MET 50 HB2 MET 50 8.672 -4.325 0.981 300 HB3 MET 50 HB3 MET 50 9.140 -2.666 0.599 301 HG2 MET 50 HG2 MET 50 7.706 -1.710 2.144 302 HG3 MET 50 HG3 MET 50 6.612 -3.087 2.167 303 HE1 MET 50 HE1 MET 50 8.024 -5.655 4.458 304 HE2 MET 50 HE2 MET 50 6.826 -5.182 3.231 305 HE3 MET 50 HE3 MET 50 8.484 -5.629 2.740 306 H VAL 51 H VAL 51 5.050 -2.524 0.596 307 HA VAL 51 HA VAL 51 5.527 0.323 -0.133 308 HB VAL 51 HB VAL 51 2.851 -1.111 -0.517 309 HG11 VAL 51 HG11 VAL 51 2.399 1.059 -1.770 310 HG12 VAL 51 HG12 VAL 51 2.677 1.329 -0.030 311 HG13 VAL 51 HG13 VAL 51 3.975 1.658 -1.210 312 HG21 VAL 51 HG21 VAL 51 4.848 -0.092 -2.593 313 HG22 VAL 51 HG22 VAL 51 4.513 -1.786 -2.281 314 HG23 VAL 51 HG23 VAL 51 3.235 -0.749 -2.932 315 H LEU 52 H LEU 52 5.469 1.564 1.565 316 HA LEU 52 HA LEU 52 4.084 0.795 4.075 317 HB2 LEU 52 HB2 LEU 52 5.771 3.223 3.331 318 HB3 LEU 52 HB3 LEU 52 5.022 2.970 4.877 319 HG LEU 52 HG LEU 52 6.478 0.698 4.840 320 HD11 LEU 52 HD11 LEU 52 7.369 0.902 2.566 321 HD12 LEU 52 HD12 LEU 52 8.650 0.969 3.767 322 HD13 LEU 52 HD13 LEU 52 8.097 2.465 2.985 323 HD21 LEU 52 HD21 LEU 52 6.776 2.555 6.463 324 HD22 LEU 52 HD22 LEU 52 7.759 3.432 5.271 325 HD23 LEU 52 HD23 LEU 52 8.329 1.889 5.950 326 H VAL 53 H VAL 53 2.245 1.778 4.736 327 HA VAL 53 HA VAL 53 1.025 3.967 3.118 328 HB VAL 53 HB VAL 53 -0.434 1.476 4.076 329 HG11 VAL 53 HG11 VAL 53 -1.797 3.582 3.905 330 HG12 VAL 53 HG12 VAL 53 -1.279 3.764 2.221 331 HG13 VAL 53 HG13 VAL 53 -2.284 2.382 2.704 332 HG21 VAL 53 HG21 VAL 53 0.534 2.181 1.288 333 HG22 VAL 53 HG22 VAL 53 0.954 0.751 2.250 334 HG23 VAL 53 HG23 VAL 53 -0.691 0.937 1.641 335 H HIS 54 H HIS 54 1.104 5.592 4.533 336 HA HIS 54 HA HIS 54 0.585 5.235 7.399 337 HB2 HIS 54 HB2 HIS 54 1.021 7.795 5.859 338 HB3 HIS 54 HB3 HIS 54 1.098 7.584 7.571 339 HD1 HIS 54 HD1 HIS 54 3.411 7.230 8.573 340 HD2 HIS 54 HD2 HIS 54 3.156 6.152 4.522 341 HE1 HIS 54 HE1 HIS 54 5.757 6.521 7.867 342 H THR 55 H THR 55 -1.543 4.725 7.792 343 HA THR 55 HA THR 55 -3.696 6.514 6.769 344 HB THR 55 HB THR 55 -3.321 4.921 4.992 345 HG1 THR 55 HG1 THR 55 -5.439 5.652 5.595 346 HG21 THR 55 HG21 THR 55 -4.143 2.722 6.944 347 HG22 THR 55 HG22 THR 55 -2.499 2.948 6.313 348 HG23 THR 55 HG23 THR 55 -3.824 2.557 5.207 349 H THR 56 H THR 56 -5.703 6.340 7.720 350 HA THR 56 HA THR 56 -5.904 5.083 10.381 351 HB THR 56 HB THR 56 -8.136 6.156 10.442 352 HG1 THR 56 HG1 THR 56 -8.668 6.179 8.278 353 HG21 THR 56 HG21 THR 56 -6.064 7.427 11.108 354 HG22 THR 56 HG22 THR 56 -7.405 8.445 10.574 355 HG23 THR 56 HG23 THR 56 -6.040 8.142 9.484 356 H LEU 57 H LEU 57 -6.425 4.017 7.197 357 HA LEU 57 HA LEU 57 -8.817 2.486 7.563 358 HB2 LEU 57 HB2 LEU 57 -6.472 2.225 5.649 359 HB3 LEU 57 HB3 LEU 57 -7.955 1.290 5.493 360 HG LEU 57 HG LEU 57 -7.885 4.346 5.405 361 HD11 LEU 57 HD11 LEU 57 -6.573 3.403 3.549 362 HD12 LEU 57 HD12 LEU 57 -8.100 4.089 2.970 363 HD13 LEU 57 HD13 LEU 57 -7.925 2.326 3.121 364 HD21 LEU 57 HD21 LEU 57 -9.985 2.287 4.526 365 HD22 LEU 57 HD22 LEU 57 -10.108 4.043 4.323 366 HD23 LEU 57 HD23 LEU 57 -10.114 3.338 5.946 367 HA PRO 58 HA PRO 58 -6.953 -1.097 9.648 368 HB2 PRO 58 HB2 PRO 58 -9.074 -2.819 8.497 369 HB3 PRO 58 HB3 PRO 58 -8.769 -2.427 10.210 370 HG2 PRO 58 HG2 PRO 58 -10.956 -1.451 8.846 371 HG3 PRO 58 HG3 PRO 58 -10.092 -0.468 10.080 372 HD2 PRO 58 HD2 PRO 58 -9.668 -0.438 7.070 373 HD3 PRO 58 HD3 PRO 58 -10.022 0.924 8.141 374 H SER 59 H SER 59 -5.434 -2.648 8.879 375 HA SER 59 HA SER 59 -4.771 -2.717 6.146 376 HB2 SER 59 HB2 SER 59 -3.566 -4.936 6.801 377 HB3 SER 59 HB3 SER 59 -2.990 -3.387 7.401 378 HG SER 59 HG SER 59 -4.190 -5.538 8.711 379 H GLN 60 H GLN 60 -7.277 -4.582 7.690 380 HA GLN 60 HA GLN 60 -7.610 -6.608 5.690 381 HB2 GLN 60 HB2 GLN 60 -9.769 -5.292 7.377 382 HB3 GLN 60 HB3 GLN 60 -9.853 -6.849 6.557 383 HG2 GLN 60 HG2 GLN 60 -9.372 -7.493 8.769 384 HG3 GLN 60 HG3 GLN 60 -7.775 -7.492 8.044 385 HE21 GLN 60 HE21 GLN 60 -6.275 -6.347 9.295 386 HE22 GLN 60 HE22 GLN 60 -6.794 -5.228 10.552 387 H GLU 61 H GLU 61 -8.625 -3.139 5.720 388 HA GLU 61 HA GLU 61 -10.047 -3.380 3.146 389 HB2 GLU 61 HB2 GLU 61 -9.136 -0.897 4.529 390 HB3 GLU 61 HB3 GLU 61 -10.199 -1.047 3.120 391 HG2 GLU 61 HG2 GLU 61 -10.662 -2.019 5.915 392 HG3 GLU 61 HG3 GLU 61 -11.466 -0.709 5.027 393 H VAL 62 H VAL 62 -6.870 -2.094 4.371 394 HA VAL 62 HA VAL 62 -6.107 -1.042 1.861 395 HB VAL 62 HB VAL 62 -4.194 -1.949 4.030 396 HG11 VAL 62 HG11 VAL 62 -4.159 0.384 2.072 397 HG12 VAL 62 HG12 VAL 62 -2.884 0.006 3.255 398 HG13 VAL 62 HG13 VAL 62 -3.205 -1.102 1.916 399 HG21 VAL 62 HG21 VAL 62 -5.691 0.688 3.987 400 HG22 VAL 62 HG22 VAL 62 -5.905 -0.609 5.175 401 HG23 VAL 62 HG23 VAL 62 -4.373 0.220 5.102 402 H GLN 63 H GLN 63 -5.467 -4.253 3.299 403 HA GLN 63 HA GLN 63 -3.920 -5.428 1.218 404 HB2 GLN 63 HB2 GLN 63 -4.417 -6.524 3.387 405 HB3 GLN 63 HB3 GLN 63 -6.123 -6.545 3.004 406 HG2 GLN 63 HG2 GLN 63 -5.525 -8.032 0.986 407 HG3 GLN 63 HG3 GLN 63 -3.902 -8.160 1.706 408 HE21 GLN 63 HE21 GLN 63 -7.157 -9.339 1.760 409 HE22 GLN 63 HE22 GLN 63 -7.001 -10.364 3.177 410 H ALA 64 H ALA 64 -7.462 -4.823 1.431 411 HA ALA 64 HA ALA 64 -7.972 -6.336 -0.976 412 HB1 ALA 64 HB1 ALA 64 -10.303 -5.584 -0.589 413 HB2 ALA 64 HB2 ALA 64 -9.601 -6.178 0.921 414 HB3 ALA 64 HB3 ALA 64 -9.773 -4.436 0.652 415 H LEU 65 H LEU 65 -7.467 -2.963 -0.092 416 HA LEU 65 HA LEU 65 -8.241 -1.727 -2.546 417 HB2 LEU 65 HB2 LEU 65 -6.652 -0.880 -0.150 418 HB3 LEU 65 HB3 LEU 65 -6.893 0.192 -1.501 419 HG LEU 65 HG LEU 65 -9.272 -1.181 -0.151 420 HD11 LEU 65 HD11 LEU 65 -8.101 -0.004 1.634 421 HD12 LEU 65 HD12 LEU 65 -9.595 0.823 1.222 422 HD13 LEU 65 HD13 LEU 65 -8.039 1.478 0.642 423 HD21 LEU 65 HD21 LEU 65 -9.685 -0.079 -2.324 424 HD22 LEU 65 HD22 LEU 65 -9.047 1.446 -1.665 425 HD23 LEU 65 HD23 LEU 65 -10.527 0.722 -0.997 426 H LEU 66 H LEU 66 -5.179 -2.749 -1.219 427 HA LEU 66 HA LEU 66 -3.450 -2.288 -3.485 428 HB2 LEU 66 HB2 LEU 66 -3.342 -4.222 -1.138 429 HB3 LEU 66 HB3 LEU 66 -2.023 -4.011 -2.278 430 HG LEU 66 HG LEU 66 -3.109 -1.633 -0.710 431 HD11 LEU 66 HD11 LEU 66 -0.980 -3.615 0.188 432 HD12 LEU 66 HD12 LEU 66 -2.534 -3.270 0.995 433 HD13 LEU 66 HD13 LEU 66 -1.295 -2.030 0.934 434 HD21 LEU 66 HD21 LEU 66 -0.415 -2.203 -1.990 435 HD22 LEU 66 HD22 LEU 66 -0.832 -0.767 -1.049 436 HD23 LEU 66 HD23 LEU 66 -1.657 -1.084 -2.585 437 H GLU 67 H GLU 67 -5.349 -5.228 -2.473 438 HA GLU 67 HA GLU 67 -4.796 -6.772 -4.814 439 HB2 GLU 67 HB2 GLU 67 -6.918 -6.668 -2.710 440 HB3 GLU 67 HB3 GLU 67 -7.231 -7.675 -4.059 441 HG2 GLU 67 HG2 GLU 67 -4.496 -7.966 -2.807 442 HG3 GLU 67 HG3 GLU 67 -5.847 -8.400 -1.787 443 H GLY 68 H GLY 68 -7.019 -4.086 -4.385 444 HA2 GLY 68 HA2 GLY 68 -8.425 -4.180 -6.875 445 HA3 GLY 68 HA3 GLY 68 -8.103 -2.757 -5.885 446 H THR 69 H THR 69 -5.080 -3.687 -6.347 447 HA THR 69 HA THR 69 -4.650 -2.261 -8.912 448 HB THR 69 HB THR 69 -2.352 -2.015 -8.311 449 HG1 THR 69 HG1 THR 69 -2.816 -3.699 -6.106 450 HG21 THR 69 HG21 THR 69 -3.888 -0.528 -7.217 451 HG22 THR 69 HG22 THR 69 -2.482 -0.854 -6.197 452 HG23 THR 69 HG23 THR 69 -4.024 -1.614 -5.811 453 H GLY 70 H GLY 70 -5.410 -5.338 -8.143 454 HA2 GLY 70 HA2 GLY 70 -5.475 -7.213 -9.452 455 HA3 GLY 70 HA3 GLY 70 -4.346 -6.487 -10.599 456 H ARG 71 H ARG 71 -3.320 -6.611 -7.268 457 HA ARG 71 HA ARG 71 -1.288 -8.687 -7.924 458 HB2 ARG 71 HB2 ARG 71 -1.029 -6.017 -6.471 459 HB3 ARG 71 HB3 ARG 71 0.287 -7.173 -6.693 460 HG2 ARG 71 HG2 ARG 71 0.299 -6.839 -9.089 461 HG3 ARG 71 HG3 ARG 71 -1.202 -5.918 -9.041 462 HD2 ARG 71 HD2 ARG 71 -0.053 -4.217 -7.572 463 HD3 ARG 71 HD3 ARG 71 1.466 -5.013 -7.933 464 HE ARG 71 HE ARG 71 -0.141 -3.303 -9.687 465 HH11 ARG 71 HH11 ARG 71 2.252 -5.898 -9.889 466 HH12 ARG 71 HH12 ARG 71 2.494 -5.538 -11.598 467 HH21 ARG 71 HH21 ARG 71 0.267 -2.968 -11.735 468 HH22 ARG 71 HH22 ARG 71 1.633 -3.748 -12.521 469 H GLN 72 H GLN 72 -0.629 -9.986 -6.300 470 HA GLN 72 HA GLN 72 -2.094 -10.445 -3.910 471 HB2 GLN 72 HB2 GLN 72 -0.552 -12.037 -4.892 472 HB3 GLN 72 HB3 GLN 72 0.845 -11.046 -4.490 473 HG2 GLN 72 HG2 GLN 72 -0.674 -11.545 -2.058 474 HG3 GLN 72 HG3 GLN 72 -0.560 -13.050 -2.927 475 HE21 GLN 72 HE21 GLN 72 1.708 -10.284 -2.069 476 HE22 GLN 72 HE22 GLN 72 2.937 -11.398 -1.484 477 H ALA 73 H ALA 73 -1.987 -9.683 -2.011 478 HA ALA 73 HA ALA 73 0.095 -7.708 -1.138 479 HB1 ALA 73 HB1 ALA 73 -1.942 -6.474 -1.855 480 HB2 ALA 73 HB2 ALA 73 -2.917 -7.415 -0.711 481 HB3 ALA 73 HB3 ALA 73 -1.654 -6.318 -0.108 482 H VAL 74 H VAL 74 1.076 -8.381 0.621 483 HA VAL 74 HA VAL 74 -0.424 -9.860 2.761 484 HB VAL 74 HB VAL 74 2.271 -10.528 1.566 485 HG11 VAL 74 HG11 VAL 74 1.034 -11.600 4.141 486 HG12 VAL 74 HG12 VAL 74 2.439 -12.313 3.320 487 HG13 VAL 74 HG13 VAL 74 2.555 -10.686 3.987 488 HG21 VAL 74 HG21 VAL 74 -0.234 -12.221 1.990 489 HG22 VAL 74 HG22 VAL 74 0.322 -11.572 0.435 490 HG23 VAL 74 HG23 VAL 74 1.293 -12.785 1.273 491 H LEU 75 H LEU 75 -0.267 -8.795 4.616 492 HA LEU 75 HA LEU 75 1.486 -6.500 4.859 493 HB2 LEU 75 HB2 LEU 75 -0.817 -6.547 5.594 494 HB3 LEU 75 HB3 LEU 75 -0.445 -7.715 6.817 495 HG LEU 75 HG LEU 75 0.795 -6.153 8.149 496 HD11 LEU 75 HD11 LEU 75 2.304 -4.886 6.894 497 HD12 LEU 75 HD12 LEU 75 1.067 -3.684 7.109 498 HD13 LEU 75 HD13 LEU 75 1.116 -4.561 5.587 499 HD21 LEU 75 HD21 LEU 75 -1.069 -4.547 6.484 500 HD22 LEU 75 HD22 LEU 75 -0.637 -4.239 8.221 501 HD23 LEU 75 HD23 LEU 75 -1.614 -5.681 7.792 502 H LYS 76 H LYS 76 3.215 -6.233 6.016 503 HA LYS 76 HA LYS 76 4.453 -8.624 7.281 504 HB2 LYS 76 HB2 LYS 76 5.872 -6.200 6.162 505 HB3 LYS 76 HB3 LYS 76 6.595 -7.663 6.784 506 HG2 LYS 76 HG2 LYS 76 4.919 -7.371 4.257 507 HG3 LYS 76 HG3 LYS 76 6.632 -7.723 4.351 508 HD2 LYS 76 HD2 LYS 76 4.331 -9.554 5.107 509 HD3 LYS 76 HD3 LYS 76 5.387 -9.719 3.722 510 HE2 LYS 76 HE2 LYS 76 6.331 -9.906 6.619 511 HE3 LYS 76 HE3 LYS 76 5.814 -11.292 5.655 512 HZ1 LYS 76 HZ1 LYS 76 8.195 -11.047 5.592 513 HZ2 LYS 76 HZ2 LYS 76 8.096 -9.523 4.961 514 HZ3 LYS 76 HZ3 LYS 76 7.590 -10.865 4.109 515 H GLY 77 H GLY 77 3.798 -5.188 7.950 516 HA2 GLY 77 HA2 GLY 77 2.679 -5.760 10.339 517 HA3 GLY 77 HA3 GLY 77 4.380 -5.539 10.795 518 H MET 78 H MET 78 3.717 -3.841 12.075 519 HA MET 78 HA MET 78 2.650 -1.384 10.821 520 HB2 MET 78 HB2 MET 78 2.235 -2.650 13.545 521 HB3 MET 78 HB3 MET 78 1.829 -0.984 13.168 522 HG2 MET 78 HG2 MET 78 -0.183 -2.072 12.851 523 HG3 MET 78 HG3 MET 78 0.441 -1.857 11.225 524 HE1 MET 78 HE1 MET 78 -1.226 -3.358 10.268 525 HE2 MET 78 HE2 MET 78 -1.569 -5.046 10.734 526 HE3 MET 78 HE3 MET 78 -1.991 -3.707 11.834 527 H GLY 79 H GLY 79 3.994 0.305 10.808 528 HA2 GLY 79 HA2 GLY 79 5.011 2.052 12.066 529 HA3 GLY 79 HA3 GLY 79 5.788 0.888 13.139 Start of MODEL 19 1 H GLY 9 H GLY 9 -10.589 4.124 14.284 2 HA2 GLY 9 HA2 GLY 9 -8.419 3.010 12.715 3 HA3 GLY 9 HA3 GLY 9 -9.160 4.603 12.550 4 H THR 10 H THR 10 -8.210 6.300 13.408 5 HA THR 10 HA THR 10 -6.555 7.632 13.598 6 HB THR 10 HB THR 10 -6.947 7.370 15.969 7 HG1 THR 10 HG1 THR 10 -5.386 8.715 16.351 8 HG21 THR 10 HG21 THR 10 -6.090 5.179 16.545 9 HG22 THR 10 HG22 THR 10 -5.080 6.382 17.352 10 HG23 THR 10 HG23 THR 10 -4.485 5.564 15.888 11 H LEU 11 H LEU 11 -4.333 8.197 13.433 12 HA LEU 11 HA LEU 11 -3.486 6.734 11.135 13 HB2 LEU 11 HB2 LEU 11 -3.396 9.350 11.883 14 HB3 LEU 11 HB3 LEU 11 -1.771 8.850 12.333 15 HG LEU 11 HG LEU 11 -1.744 9.916 10.223 16 HD11 LEU 11 HD11 LEU 11 -1.329 7.002 9.558 17 HD12 LEU 11 HD12 LEU 11 -0.182 7.989 10.499 18 HD13 LEU 11 HD13 LEU 11 -0.584 8.448 8.838 19 HD21 LEU 11 HD21 LEU 11 -3.745 7.827 9.296 20 HD22 LEU 11 HD22 LEU 11 -2.874 8.914 8.214 21 HD23 LEU 11 HD23 LEU 11 -3.995 9.571 9.427 22 H CYS 12 H CYS 12 -1.977 5.394 10.814 23 HA CYS 12 HA CYS 12 0.483 5.065 12.321 24 HB2 CYS 12 HB2 CYS 12 -1.790 3.083 12.497 25 HB3 CYS 12 HB3 CYS 12 -0.135 2.446 12.359 26 HG CYS 12 HG CYS 12 -1.036 4.828 14.454 27 H THR 13 H THR 13 2.050 3.819 11.054 28 HA THR 13 HA THR 13 1.417 3.571 8.185 29 HB THR 13 HB THR 13 3.932 2.708 9.611 30 HG1 THR 13 HG1 THR 13 4.700 4.668 8.646 31 HG21 THR 13 HG21 THR 13 3.703 1.677 7.362 32 HG22 THR 13 HG22 THR 13 4.922 2.936 7.325 33 HG23 THR 13 HG23 THR 13 3.304 3.270 6.668 34 H LEU 14 H LEU 14 1.069 1.796 7.045 35 HA LEU 14 HA LEU 14 1.385 -0.914 8.264 36 HB2 LEU 14 HB2 LEU 14 -0.828 0.230 6.644 37 HB3 LEU 14 HB3 LEU 14 -0.334 -1.439 6.326 38 HG LEU 14 HG LEU 14 -0.740 -0.492 9.198 39 HD11 LEU 14 HD11 LEU 14 -2.753 0.015 8.018 40 HD12 LEU 14 HD12 LEU 14 -2.968 -1.400 9.076 41 HD13 LEU 14 HD13 LEU 14 -2.770 -1.629 7.302 42 HD21 LEU 14 HD21 LEU 14 0.357 -2.655 8.945 43 HD22 LEU 14 HD22 LEU 14 -0.840 -3.177 7.758 44 HD23 LEU 14 HD23 LEU 14 -1.304 -2.945 9.459 45 H GLU 15 H GLU 15 2.348 -2.404 7.032 46 HA GLU 15 HA GLU 15 4.158 -1.405 4.849 47 HB2 GLU 15 HB2 GLU 15 5.974 -2.677 6.171 48 HB3 GLU 15 HB3 GLU 15 5.387 -1.168 6.930 49 HG2 GLU 15 HG2 GLU 15 3.943 -2.254 8.302 50 HG3 GLU 15 HG3 GLU 15 4.097 -3.729 7.467 51 H PHE 16 H PHE 16 2.820 -2.487 3.620 52 HA PHE 16 HA PHE 16 2.738 -5.451 3.553 53 HB2 PHE 16 HB2 PHE 16 1.565 -3.375 1.650 54 HB3 PHE 16 HB3 PHE 16 1.391 -5.112 1.463 55 HD1 PHE 16 HD1 PHE 16 0.388 -2.315 3.675 56 HD2 PHE 16 HD2 PHE 16 -0.116 -6.446 2.569 57 HE1 PHE 16 HE1 PHE 16 -1.779 -2.372 4.896 58 HE2 PHE 16 HE2 PHE 16 -2.320 -6.493 3.742 59 HZ PHE 16 HZ PHE 16 -3.171 -4.446 4.850 60 H ALA 17 H ALA 17 3.415 -6.814 2.036 61 HA ALA 17 HA ALA 17 5.488 -5.984 0.055 62 HB1 ALA 17 HB1 ALA 17 6.195 -7.760 1.582 63 HB2 ALA 17 HB2 ALA 17 4.764 -8.732 1.145 64 HB3 ALA 17 HB3 ALA 17 6.018 -8.391 -0.066 65 H VAL 18 H VAL 18 5.169 -6.443 -2.156 66 HA VAL 18 HA VAL 18 2.497 -7.463 -3.018 67 HB VAL 18 HB VAL 18 2.418 -5.478 -4.659 68 HG11 VAL 18 HG11 VAL 18 1.333 -3.984 -3.057 69 HG12 VAL 18 HG12 VAL 18 0.865 -5.657 -2.763 70 HG13 VAL 18 HG13 VAL 18 2.042 -4.872 -1.692 71 HG21 VAL 18 HG21 VAL 18 4.720 -4.719 -4.351 72 HG22 VAL 18 HG22 VAL 18 3.502 -3.468 -4.005 73 HG23 VAL 18 HG23 VAL 18 4.343 -4.279 -2.674 74 H GLN 19 H GLN 19 2.286 -8.007 -5.254 75 HA GLN 19 HA GLN 19 4.870 -8.869 -6.483 76 HB2 GLN 19 HB2 GLN 19 1.965 -9.476 -7.126 77 HB3 GLN 19 HB3 GLN 19 3.322 -9.991 -8.139 78 HG2 GLN 19 HG2 GLN 19 4.276 -11.298 -6.307 79 HG3 GLN 19 HG3 GLN 19 3.021 -10.739 -5.202 80 HE21 GLN 19 HE21 GLN 19 2.839 -13.229 -4.996 81 HE22 GLN 19 HE22 GLN 19 1.610 -13.943 -6.058 82 H MET 20 H MET 20 5.691 -6.735 -7.016 83 HA MET 20 HA MET 20 4.982 -6.286 -9.832 84 HB2 MET 20 HB2 MET 20 5.333 -3.809 -9.560 85 HB3 MET 20 HB3 MET 20 3.794 -4.436 -8.974 86 HG2 MET 20 HG2 MET 20 4.452 -4.240 -6.697 87 HG3 MET 20 HG3 MET 20 6.153 -3.994 -7.121 88 HE1 MET 20 HE1 MET 20 3.972 -1.838 -5.227 89 HE2 MET 20 HE2 MET 20 5.663 -2.443 -5.205 90 HE3 MET 20 HE3 MET 20 5.309 -0.692 -5.427 91 H THR 21 H THR 21 6.646 -5.443 -11.078 92 HA THR 21 HA THR 21 9.401 -5.973 -10.036 93 HB THR 21 HB THR 21 8.351 -6.905 -12.720 94 HG1 THR 21 HG1 THR 21 8.451 -8.545 -10.431 95 HG21 THR 21 HG21 THR 21 10.782 -7.064 -12.453 96 HG22 THR 21 HG22 THR 21 10.078 -8.681 -12.404 97 HG23 THR 21 HG23 THR 21 10.588 -7.894 -10.893 98 H CYS 22 H CYS 22 7.416 -3.937 -12.114 99 HA CYS 22 HA CYS 22 9.864 -2.548 -13.024 100 HB2 CYS 22 HB2 CYS 22 9.332 -2.596 -15.154 101 HB3 CYS 22 HB3 CYS 22 8.558 -4.104 -14.681 102 H GLN 23 H GLN 23 9.558 -0.374 -13.707 103 HA GLN 23 HA GLN 23 8.664 1.127 -11.490 104 HB2 GLN 23 HB2 GLN 23 10.391 1.487 -13.677 105 HB3 GLN 23 HB3 GLN 23 9.170 2.724 -13.904 106 HG2 GLN 23 HG2 GLN 23 10.916 3.681 -12.594 107 HG3 GLN 23 HG3 GLN 23 9.559 3.435 -11.496 108 HE21 GLN 23 HE21 GLN 23 10.267 2.624 -9.472 109 HE22 GLN 23 HE22 GLN 23 11.697 1.637 -9.296 110 H SER 24 H SER 24 6.841 0.301 -14.309 111 HA SER 24 HA SER 24 4.892 2.485 -14.139 112 HB2 SER 24 HB2 SER 24 4.722 -0.198 -15.590 113 HB3 SER 24 HB3 SER 24 3.692 1.217 -15.867 114 HG SER 24 HG SER 24 5.541 2.373 -16.509 115 H CYS 25 H CYS 25 5.130 -0.655 -12.552 116 HA CYS 25 HA CYS 25 2.267 -0.719 -11.942 117 HB2 CYS 25 HB2 CYS 25 4.686 -2.317 -11.058 118 HB3 CYS 25 HB3 CYS 25 3.054 -2.620 -10.477 119 H VAL 26 H VAL 26 5.261 0.116 -10.257 120 HA VAL 26 HA VAL 26 4.511 1.023 -7.720 121 HB VAL 26 HB VAL 26 6.391 2.753 -9.341 122 HG11 VAL 26 HG11 VAL 26 7.828 2.533 -7.451 123 HG12 VAL 26 HG12 VAL 26 6.212 2.862 -6.798 124 HG13 VAL 26 HG13 VAL 26 6.902 1.190 -6.794 125 HG21 VAL 26 HG21 VAL 26 6.943 -0.128 -8.756 126 HG22 VAL 26 HG22 VAL 26 6.888 0.677 -10.341 127 HG23 VAL 26 HG23 VAL 26 8.168 1.106 -9.200 128 H ASP 27 H ASP 27 4.649 3.028 -10.674 129 HA ASP 27 HA ASP 27 3.486 5.424 -9.825 130 HB2 ASP 27 HB2 ASP 27 4.569 4.655 -12.065 131 HB3 ASP 27 HB3 ASP 27 2.993 3.998 -12.448 132 H ALA 28 H ALA 28 1.941 2.378 -10.806 133 HA ALA 28 HA ALA 28 -0.741 3.595 -10.900 134 HB1 ALA 28 HB1 ALA 28 -1.520 1.381 -11.475 135 HB2 ALA 28 HB2 ALA 28 -0.133 1.849 -12.486 136 HB3 ALA 28 HB3 ALA 28 0.076 0.681 -11.149 137 H VAL 29 H VAL 29 0.965 1.268 -8.624 138 HA VAL 29 HA VAL 29 -1.306 1.082 -6.926 139 HB VAL 29 HB VAL 29 1.514 0.950 -5.862 140 HG11 VAL 29 HG11 VAL 29 0.472 -0.763 -4.424 141 HG12 VAL 29 HG12 VAL 29 -0.617 0.636 -4.444 142 HG13 VAL 29 HG13 VAL 29 -0.975 -0.780 -5.468 143 HG21 VAL 29 HG21 VAL 29 1.341 -1.602 -6.398 144 HG22 VAL 29 HG22 VAL 29 0.256 -1.085 -7.708 145 HG23 VAL 29 HG23 VAL 29 1.944 -0.511 -7.610 146 H ARG 30 H ARG 30 1.422 3.410 -7.047 147 HA ARG 30 HA ARG 30 0.826 4.954 -4.711 148 HB2 ARG 30 HB2 ARG 30 2.116 5.501 -7.471 149 HB3 ARG 30 HB3 ARG 30 1.900 6.816 -6.321 150 HG2 ARG 30 HG2 ARG 30 3.236 5.720 -4.647 151 HG3 ARG 30 HG3 ARG 30 3.371 4.246 -5.604 152 HD2 ARG 30 HD2 ARG 30 5.011 5.054 -6.971 153 HD3 ARG 30 HD3 ARG 30 4.366 6.700 -6.976 154 HE ARG 30 HE ARG 30 6.412 5.642 -5.210 155 HH11 ARG 30 HH11 ARG 30 4.123 8.345 -5.526 156 HH12 ARG 30 HH12 ARG 30 4.791 9.099 -4.090 157 HH21 ARG 30 HH21 ARG 30 7.219 6.885 -3.462 158 HH22 ARG 30 HH22 ARG 30 6.409 8.396 -3.103 159 H LYS 31 H LYS 31 -0.517 5.179 -8.031 160 HA LYS 31 HA LYS 31 -2.264 7.393 -7.223 161 HB2 LYS 31 HB2 LYS 31 -1.762 6.081 -9.900 162 HB3 LYS 31 HB3 LYS 31 -2.887 7.439 -9.605 163 HG2 LYS 31 HG2 LYS 31 -1.065 8.648 -8.410 164 HG3 LYS 31 HG3 LYS 31 0.090 7.402 -8.887 165 HD2 LYS 31 HD2 LYS 31 -0.071 8.065 -11.203 166 HD3 LYS 31 HD3 LYS 31 -1.466 9.136 -10.850 167 HE2 LYS 31 HE2 LYS 31 -0.094 10.386 -9.207 168 HE3 LYS 31 HE3 LYS 31 1.302 9.366 -9.574 169 HZ1 LYS 31 HZ1 LYS 31 1.330 11.502 -10.808 170 HZ2 LYS 31 HZ2 LYS 31 -0.064 11.104 -11.572 171 HZ3 LYS 31 HZ3 LYS 31 1.285 10.225 -11.839 172 H SER 32 H SER 32 -2.749 3.978 -7.372 173 HA SER 32 HA SER 32 -5.642 4.155 -6.949 174 HB2 SER 32 HB2 SER 32 -4.374 2.033 -7.573 175 HB3 SER 32 HB3 SER 32 -3.755 2.024 -5.910 176 HG SER 32 HG SER 32 -6.366 1.676 -6.915 177 H LEU 33 H LEU 33 -2.739 4.354 -4.892 178 HA LEU 33 HA LEU 33 -4.142 4.543 -2.359 179 HB2 LEU 33 HB2 LEU 33 -1.303 5.204 -3.261 180 HB3 LEU 33 HB3 LEU 33 -1.850 5.289 -1.605 181 HG LEU 33 HG LEU 33 -2.181 2.674 -3.107 182 HD11 LEU 33 HD11 LEU 33 0.418 3.479 -1.707 183 HD12 LEU 33 HD12 LEU 33 0.223 3.324 -3.455 184 HD13 LEU 33 HD13 LEU 33 0.010 1.914 -2.427 185 HD21 LEU 33 HD21 LEU 33 -1.460 3.384 -0.258 186 HD22 LEU 33 HD22 LEU 33 -1.813 1.760 -0.884 187 HD23 LEU 33 HD23 LEU 33 -3.102 2.989 -0.830 188 H GLN 34 H GLN 34 -2.774 6.985 -4.588 189 HA GLN 34 HA GLN 34 -3.140 9.224 -2.900 190 HB2 GLN 34 HB2 GLN 34 -2.673 8.766 -5.812 191 HB3 GLN 34 HB3 GLN 34 -3.143 10.367 -5.369 192 HG2 GLN 34 HG2 GLN 34 -1.274 10.651 -3.886 193 HG3 GLN 34 HG3 GLN 34 -0.899 8.928 -3.910 194 HE21 GLN 34 HE21 GLN 34 1.288 9.515 -4.458 195 HE22 GLN 34 HE22 GLN 34 1.670 9.795 -6.161 196 H GLY 35 H GLY 35 -4.704 10.483 -2.435 197 HA2 GLY 35 HA2 GLY 35 -6.808 11.469 -2.334 198 HA3 GLY 35 HA3 GLY 35 -7.252 10.677 -3.841 199 H VAL 36 H VAL 36 -6.229 8.482 -1.234 200 HA VAL 36 HA VAL 36 -8.963 7.486 -0.915 201 HB VAL 36 HB VAL 36 -6.263 6.616 0.153 202 HG11 VAL 36 HG11 VAL 36 -7.438 4.620 1.082 203 HG12 VAL 36 HG12 VAL 36 -7.849 6.101 1.945 204 HG13 VAL 36 HG13 VAL 36 -8.995 5.411 0.772 205 HG21 VAL 36 HG21 VAL 36 -8.303 5.260 -1.676 206 HG22 VAL 36 HG22 VAL 36 -6.822 6.069 -2.225 207 HG23 VAL 36 HG23 VAL 36 -6.709 4.625 -1.218 208 H ALA 37 H ALA 37 -10.276 7.982 0.626 209 HA ALA 37 HA ALA 37 -9.790 10.119 2.516 210 HB1 ALA 37 HB1 ALA 37 -12.012 9.671 1.542 211 HB2 ALA 37 HB2 ALA 37 -12.073 8.107 2.389 212 HB3 ALA 37 HB3 ALA 37 -12.056 9.621 3.314 213 H GLY 38 H GLY 38 -8.502 9.922 4.254 214 HA2 GLY 38 HA2 GLY 38 -8.084 9.085 6.476 215 HA3 GLY 38 HA3 GLY 38 -8.612 7.479 5.984 216 H VAL 39 H VAL 39 -6.643 8.761 3.510 217 HA VAL 39 HA VAL 39 -4.156 7.581 4.639 218 HB VAL 39 HB VAL 39 -5.117 7.194 2.218 219 HG11 VAL 39 HG11 VAL 39 -3.323 9.562 1.601 220 HG12 VAL 39 HG12 VAL 39 -4.194 8.516 0.468 221 HG13 VAL 39 HG13 VAL 39 -5.090 9.615 1.527 222 HG21 VAL 39 HG21 VAL 39 -2.150 7.667 2.756 223 HG22 VAL 39 HG22 VAL 39 -3.060 6.189 3.137 224 HG23 VAL 39 HG23 VAL 39 -2.836 6.677 1.451 225 H GLN 40 H GLN 40 -2.393 8.807 5.186 226 HA GLN 40 HA GLN 40 -2.510 11.774 4.771 227 HB2 GLN 40 HB2 GLN 40 -1.254 10.012 6.894 228 HB3 GLN 40 HB3 GLN 40 -0.537 11.561 6.501 229 HG2 GLN 40 HG2 GLN 40 -2.827 12.637 6.838 230 HG3 GLN 40 HG3 GLN 40 -3.379 11.075 7.439 231 HE21 GLN 40 HE21 GLN 40 -3.863 12.423 9.417 232 HE22 GLN 40 HE22 GLN 40 -2.527 12.663 10.563 233 H ASP 41 H ASP 41 -0.489 8.863 4.321 234 HA ASP 41 HA ASP 41 0.847 10.067 2.052 235 HB2 ASP 41 HB2 ASP 41 2.158 10.223 4.680 236 HB3 ASP 41 HB3 ASP 41 3.101 9.269 3.600 237 H VAL 42 H VAL 42 2.618 8.657 1.349 238 HA VAL 42 HA VAL 42 2.508 5.813 2.018 239 HB VAL 42 HB VAL 42 2.323 5.121 -0.328 240 HG11 VAL 42 HG11 VAL 42 -0.073 5.226 -0.468 241 HG12 VAL 42 HG12 VAL 42 0.386 5.033 1.221 242 HG13 VAL 42 HG13 VAL 42 -0.152 6.616 0.614 243 HG21 VAL 42 HG21 VAL 42 2.840 7.214 -1.536 244 HG22 VAL 42 HG22 VAL 42 1.285 6.537 -2.036 245 HG23 VAL 42 HG23 VAL 42 1.325 7.929 -0.941 246 H GLU 43 H GLU 43 4.336 4.679 1.324 247 HA GLU 43 HA GLU 43 6.468 6.172 -0.101 248 HB2 GLU 43 HB2 GLU 43 6.809 6.563 2.327 249 HB3 GLU 43 HB3 GLU 43 6.909 4.824 2.594 250 HG2 GLU 43 HG2 GLU 43 8.887 4.706 1.142 251 HG3 GLU 43 HG3 GLU 43 8.758 6.434 0.802 252 H VAL 44 H VAL 44 7.068 4.913 -1.763 253 HA VAL 44 HA VAL 44 6.213 2.017 -1.712 254 HB VAL 44 HB VAL 44 5.936 3.906 -4.055 255 HG11 VAL 44 HG11 VAL 44 6.425 1.524 -4.635 256 HG12 VAL 44 HG12 VAL 44 5.073 1.008 -3.608 257 HG13 VAL 44 HG13 VAL 44 4.779 2.006 -5.056 258 HG21 VAL 44 HG21 VAL 44 4.071 2.831 -1.936 259 HG22 VAL 44 HG22 VAL 44 4.222 4.485 -2.544 260 HG23 VAL 44 HG23 VAL 44 3.471 3.232 -3.567 261 H HIS 45 H HIS 45 7.586 0.624 -1.990 262 HA HIS 45 HA HIS 45 10.356 1.297 -2.892 263 HB2 HIS 45 HB2 HIS 45 9.197 -0.115 -0.506 264 HB3 HIS 45 HB3 HIS 45 10.800 -0.591 -1.083 265 HD1 HIS 45 HD1 HIS 45 12.825 0.985 -0.593 266 HD2 HIS 45 HD2 HIS 45 9.037 2.388 0.606 267 HE1 HIS 45 HE1 HIS 45 13.251 3.000 0.913 268 H LEU 46 H LEU 46 9.785 0.525 -5.068 269 HA LEU 46 HA LEU 46 9.299 -2.238 -5.599 270 HB2 LEU 46 HB2 LEU 46 9.282 -0.387 -7.148 271 HB3 LEU 46 HB3 LEU 46 10.997 -0.209 -7.076 272 HG LEU 46 HG LEU 46 11.418 -2.030 -8.475 273 HD11 LEU 46 HD11 LEU 46 10.516 -3.924 -7.241 274 HD12 LEU 46 HD12 LEU 46 9.790 -3.948 -8.814 275 HD13 LEU 46 HD13 LEU 46 8.839 -3.322 -7.449 276 HD21 LEU 46 HD21 LEU 46 9.722 -0.502 -9.538 277 HD22 LEU 46 HD22 LEU 46 8.463 -1.624 -8.903 278 HD23 LEU 46 HD23 LEU 46 9.627 -2.165 -10.149 279 H GLU 47 H GLU 47 12.104 -0.445 -4.596 280 HA GLU 47 HA GLU 47 14.031 -2.608 -4.760 281 HB2 GLU 47 HB2 GLU 47 14.114 0.128 -3.503 282 HB3 GLU 47 HB3 GLU 47 15.498 -0.968 -3.502 283 HG2 GLU 47 HG2 GLU 47 15.863 -0.849 -5.753 284 HG3 GLU 47 HG3 GLU 47 14.171 -0.690 -6.173 285 H ASP 48 H ASP 48 11.518 -2.423 -2.626 286 HA ASP 48 HA ASP 48 12.817 -4.706 -1.248 287 HB2 ASP 48 HB2 ASP 48 12.014 -2.441 0.192 288 HB3 ASP 48 HB3 ASP 48 10.629 -3.489 0.295 289 H GLN 49 H GLN 49 10.620 -3.853 -3.536 290 HA GLN 49 HA GLN 49 8.498 -4.104 -4.137 291 HB2 GLN 49 HB2 GLN 49 8.746 -6.936 -3.111 292 HB3 GLN 49 HB3 GLN 49 7.559 -6.308 -4.244 293 HG2 GLN 49 HG2 GLN 49 8.932 -7.187 -5.799 294 HG3 GLN 49 HG3 GLN 49 9.612 -5.579 -5.717 295 HE21 GLN 49 HE21 GLN 49 11.816 -5.372 -4.934 296 HE22 GLN 49 HE22 GLN 49 12.795 -6.808 -4.624 297 H MET 50 H MET 50 8.728 -2.843 -1.728 298 HA MET 50 HA MET 50 6.513 -3.848 -0.056 299 HB2 MET 50 HB2 MET 50 8.478 -3.765 1.223 300 HB3 MET 50 HB3 MET 50 8.954 -2.200 0.566 301 HG2 MET 50 HG2 MET 50 7.760 -0.978 1.995 302 HG3 MET 50 HG3 MET 50 6.498 -2.142 2.286 303 HE1 MET 50 HE1 MET 50 8.041 -4.848 3.157 304 HE2 MET 50 HE2 MET 50 7.895 -4.564 4.904 305 HE3 MET 50 HE3 MET 50 6.555 -4.127 3.826 306 H VAL 51 H VAL 51 4.925 -2.398 0.697 307 HA VAL 51 HA VAL 51 4.822 0.358 -0.411 308 HB VAL 51 HB VAL 51 2.254 -1.204 -0.015 309 HG11 VAL 51 HG11 VAL 51 2.408 1.295 -0.481 310 HG12 VAL 51 HG12 VAL 51 3.129 0.855 -2.060 311 HG13 VAL 51 HG13 VAL 51 1.468 0.360 -1.669 312 HG21 VAL 51 HG21 VAL 51 2.213 -1.776 -2.429 313 HG22 VAL 51 HG22 VAL 51 3.955 -1.408 -2.519 314 HG23 VAL 51 HG23 VAL 51 3.356 -2.721 -1.470 315 H LEU 52 H LEU 52 5.163 1.581 1.366 316 HA LEU 52 HA LEU 52 3.949 0.808 3.978 317 HB2 LEU 52 HB2 LEU 52 5.588 3.242 3.123 318 HB3 LEU 52 HB3 LEU 52 4.906 3.007 4.705 319 HG LEU 52 HG LEU 52 7.016 2.311 5.096 320 HD11 LEU 52 HD11 LEU 52 6.052 -0.327 4.051 321 HD12 LEU 52 HD12 LEU 52 5.590 0.448 5.594 322 HD13 LEU 52 HD13 LEU 52 7.275 -0.023 5.305 323 HD21 LEU 52 HD21 LEU 52 7.971 2.685 2.902 324 HD22 LEU 52 HD22 LEU 52 7.273 1.171 2.302 325 HD23 LEU 52 HD23 LEU 52 8.548 1.140 3.543 326 H VAL 53 H VAL 53 2.227 1.945 4.732 327 HA VAL 53 HA VAL 53 0.913 4.103 3.138 328 HB VAL 53 HB VAL 53 -0.536 1.598 4.071 329 HG11 VAL 53 HG11 VAL 53 -1.932 3.667 4.075 330 HG12 VAL 53 HG12 VAL 53 -1.480 3.972 2.390 331 HG13 VAL 53 HG13 VAL 53 -2.443 2.541 2.816 332 HG21 VAL 53 HG21 VAL 53 0.273 2.451 1.265 333 HG22 VAL 53 HG22 VAL 53 0.786 0.989 2.135 334 HG23 VAL 53 HG23 VAL 53 -0.897 1.161 1.639 335 H HIS 54 H HIS 54 1.034 5.725 4.533 336 HA HIS 54 HA HIS 54 0.578 5.430 7.416 337 HB2 HIS 54 HB2 HIS 54 0.836 7.983 5.793 338 HB3 HIS 54 HB3 HIS 54 1.031 7.781 7.514 339 HD1 HIS 54 HD1 HIS 54 3.464 7.711 8.292 340 HD2 HIS 54 HD2 HIS 54 2.925 6.361 4.350 341 HE1 HIS 54 HE1 HIS 54 5.786 7.350 7.339 342 H THR 55 H THR 55 -1.567 4.874 7.923 343 HA THR 55 HA THR 55 -3.758 6.628 6.961 344 HB THR 55 HB THR 55 -3.461 4.988 5.187 345 HG1 THR 55 HG1 THR 55 -5.574 5.693 5.854 346 HG21 THR 55 HG21 THR 55 -2.559 3.049 6.490 347 HG22 THR 55 HG22 THR 55 -3.949 2.616 5.483 348 HG23 THR 55 HG23 THR 55 -4.156 2.826 7.231 349 H THR 56 H THR 56 -5.848 6.295 7.962 350 HA THR 56 HA THR 56 -5.821 5.074 10.656 351 HB THR 56 HB THR 56 -8.004 6.079 10.996 352 HG1 THR 56 HG1 THR 56 -9.154 6.232 9.212 353 HG21 THR 56 HG21 THR 56 -7.495 8.408 10.814 354 HG22 THR 56 HG22 THR 56 -6.379 8.161 9.459 355 HG23 THR 56 HG23 THR 56 -5.940 7.602 11.081 356 H LEU 57 H LEU 57 -6.343 3.857 7.583 357 HA LEU 57 HA LEU 57 -8.661 2.209 8.175 358 HB2 LEU 57 HB2 LEU 57 -6.699 2.094 5.871 359 HB3 LEU 57 HB3 LEU 57 -8.234 1.235 5.959 360 HG LEU 57 HG LEU 57 -7.851 4.260 5.792 361 HD11 LEU 57 HD11 LEU 57 -7.496 3.015 3.691 362 HD12 LEU 57 HD12 LEU 57 -8.953 4.020 3.626 363 HD13 LEU 57 HD13 LEU 57 -9.104 2.267 3.866 364 HD21 LEU 57 HD21 LEU 57 -10.425 2.680 6.051 365 HD22 LEU 57 HD22 LEU 57 -10.319 4.384 5.563 366 HD23 LEU 57 HD23 LEU 57 -9.800 3.906 7.178 367 HA PRO 58 HA PRO 58 -6.403 -1.232 9.898 368 HB2 PRO 58 HB2 PRO 58 -8.605 -3.075 9.234 369 HB3 PRO 58 HB3 PRO 58 -8.135 -2.451 10.834 370 HG2 PRO 58 HG2 PRO 58 -10.479 -1.691 9.591 371 HG3 PRO 58 HG3 PRO 58 -9.525 -0.524 10.571 372 HD2 PRO 58 HD2 PRO 58 -9.326 -1.011 7.585 373 HD3 PRO 58 HD3 PRO 58 -9.740 0.509 8.344 374 H SER 59 H SER 59 -5.147 -3.129 9.210 375 HA SER 59 HA SER 59 -4.589 -3.261 6.439 376 HB2 SER 59 HB2 SER 59 -3.487 -5.517 7.009 377 HB3 SER 59 HB3 SER 59 -2.843 -4.015 7.639 378 HG SER 59 HG SER 59 -3.835 -4.494 9.657 379 H GLN 60 H GLN 60 -7.059 -5.095 8.148 380 HA GLN 60 HA GLN 60 -7.631 -7.022 6.129 381 HB2 GLN 60 HB2 GLN 60 -9.684 -5.577 7.875 382 HB3 GLN 60 HB3 GLN 60 -9.844 -7.150 7.097 383 HG2 GLN 60 HG2 GLN 60 -9.352 -7.799 9.278 384 HG3 GLN 60 HG3 GLN 60 -7.758 -7.814 8.559 385 HE21 GLN 60 HE21 GLN 60 -6.247 -6.661 9.738 386 HE22 GLN 60 HE22 GLN 60 -6.721 -5.587 11.051 387 H GLU 61 H GLU 61 -8.249 -3.585 6.214 388 HA GLU 61 HA GLU 61 -10.041 -3.592 3.868 389 HB2 GLU 61 HB2 GLU 61 -10.354 -2.146 5.943 390 HB3 GLU 61 HB3 GLU 61 -8.919 -1.231 5.428 391 HG2 GLU 61 HG2 GLU 61 -10.041 -0.674 3.311 392 HG3 GLU 61 HG3 GLU 61 -11.453 -1.611 3.842 393 H VAL 62 H VAL 62 -6.727 -2.424 4.819 394 HA VAL 62 HA VAL 62 -6.215 -1.283 2.277 395 HB VAL 62 HB VAL 62 -4.027 -2.208 4.152 396 HG11 VAL 62 HG11 VAL 62 -4.392 0.314 2.477 397 HG12 VAL 62 HG12 VAL 62 -2.913 -0.177 3.340 398 HG13 VAL 62 HG13 VAL 62 -3.482 -1.111 1.951 399 HG21 VAL 62 HG21 VAL 62 -5.867 0.155 4.612 400 HG22 VAL 62 HG22 VAL 62 -5.354 -1.116 5.749 401 HG23 VAL 62 HG23 VAL 62 -4.205 0.091 5.253 402 H GLN 63 H GLN 63 -5.535 -4.585 3.578 403 HA GLN 63 HA GLN 63 -3.946 -5.539 1.425 404 HB2 GLN 63 HB2 GLN 63 -4.451 -6.861 3.472 405 HB3 GLN 63 HB3 GLN 63 -6.130 -6.957 3.003 406 HG2 GLN 63 HG2 GLN 63 -5.344 -8.160 0.854 407 HG3 GLN 63 HG3 GLN 63 -3.728 -8.194 1.563 408 HE21 GLN 63 HE21 GLN 63 -6.900 -9.641 1.508 409 HE22 GLN 63 HE22 GLN 63 -6.539 -10.930 2.647 410 H ALA 64 H ALA 64 -7.542 -5.234 1.603 411 HA ALA 64 HA ALA 64 -7.851 -6.491 -1.000 412 HB1 ALA 64 HB1 ALA 64 -9.807 -5.024 0.853 413 HB2 ALA 64 HB2 ALA 64 -10.262 -5.990 -0.566 414 HB3 ALA 64 HB3 ALA 64 -9.499 -6.776 0.827 415 H LEU 65 H LEU 65 -7.572 -3.185 0.257 416 HA LEU 65 HA LEU 65 -8.378 -1.830 -2.127 417 HB2 LEU 65 HB2 LEU 65 -6.782 -1.067 0.291 418 HB3 LEU 65 HB3 LEU 65 -6.927 0.028 -1.055 419 HG LEU 65 HG LEU 65 -9.330 -1.127 0.442 420 HD11 LEU 65 HD11 LEU 65 -7.991 1.600 0.650 421 HD12 LEU 65 HD12 LEU 65 -7.966 0.321 1.891 422 HD13 LEU 65 HD13 LEU 65 -9.492 1.109 1.465 423 HD21 LEU 65 HD21 LEU 65 -9.093 1.129 -1.603 424 HD22 LEU 65 HD22 LEU 65 -10.542 0.774 -0.643 425 HD23 LEU 65 HD23 LEU 65 -9.963 -0.410 -1.813 426 H LEU 66 H LEU 66 -5.243 -2.917 -0.933 427 HA LEU 66 HA LEU 66 -3.619 -2.035 -3.157 428 HB2 LEU 66 HB2 LEU 66 -3.281 -4.155 -0.995 429 HB3 LEU 66 HB3 LEU 66 -2.016 -3.767 -2.150 430 HG LEU 66 HG LEU 66 -3.202 -1.565 -0.429 431 HD11 LEU 66 HD11 LEU 66 -0.974 -3.490 0.361 432 HD12 LEU 66 HD12 LEU 66 -2.544 -3.291 1.177 433 HD13 LEU 66 HD13 LEU 66 -1.378 -1.976 1.206 434 HD21 LEU 66 HD21 LEU 66 -0.973 -0.580 -0.732 435 HD22 LEU 66 HD22 LEU 66 -1.724 -0.924 -2.300 436 HD23 LEU 66 HD23 LEU 66 -0.452 -1.996 -1.667 437 H GLU 67 H GLU 67 -5.095 -5.211 -2.358 438 HA GLU 67 HA GLU 67 -4.364 -6.722 -4.613 439 HB2 GLU 67 HB2 GLU 67 -6.712 -6.642 -2.740 440 HB3 GLU 67 HB3 GLU 67 -6.773 -7.780 -4.022 441 HG2 GLU 67 HG2 GLU 67 -4.339 -7.648 -2.202 442 HG3 GLU 67 HG3 GLU 67 -5.806 -8.460 -1.680 443 H GLY 68 H GLY 68 -7.052 -4.379 -4.318 444 HA2 GLY 68 HA2 GLY 68 -8.342 -4.797 -6.791 445 HA3 GLY 68 HA3 GLY 68 -8.300 -3.278 -5.886 446 H THR 69 H THR 69 -5.170 -3.423 -6.311 447 HA THR 69 HA THR 69 -5.112 -1.902 -8.812 448 HB THR 69 HB THR 69 -2.772 -1.552 -8.442 449 HG1 THR 69 HG1 THR 69 -2.946 -3.255 -6.200 450 HG21 THR 69 HG21 THR 69 -4.162 -1.306 -5.775 451 HG22 THR 69 HG22 THR 69 -4.475 -0.283 -7.196 452 HG23 THR 69 HG23 THR 69 -2.872 -0.302 -6.484 453 H GLY 70 H GLY 70 -5.241 -5.212 -8.274 454 HA2 GLY 70 HA2 GLY 70 -5.443 -6.738 -10.014 455 HA3 GLY 70 HA3 GLY 70 -4.518 -5.696 -11.099 456 H ARG 71 H ARG 71 -3.285 -6.509 -7.936 457 HA ARG 71 HA ARG 71 -1.592 -8.751 -8.802 458 HB2 ARG 71 HB2 ARG 71 0.451 -7.595 -7.883 459 HB3 ARG 71 HB3 ARG 71 -0.160 -6.945 -9.388 460 HG2 ARG 71 HG2 ARG 71 -1.325 -5.109 -8.022 461 HG3 ARG 71 HG3 ARG 71 -0.535 -5.767 -6.593 462 HD2 ARG 71 HD2 ARG 71 0.713 -3.861 -7.349 463 HD3 ARG 71 HD3 ARG 71 1.665 -5.313 -7.638 464 HE ARG 71 HE ARG 71 1.561 -4.926 -9.950 465 HH11 ARG 71 HH11 ARG 71 -1.121 -3.086 -8.583 466 HH12 ARG 71 HH12 ARG 71 -1.346 -2.264 -10.121 467 HH21 ARG 71 HH21 ARG 71 1.340 -3.464 -11.712 468 HH22 ARG 71 HH22 ARG 71 -0.148 -2.538 -11.751 469 H GLN 72 H GLN 72 -0.371 -9.593 -6.893 470 HA GLN 72 HA GLN 72 -2.189 -9.825 -4.646 471 HB2 GLN 72 HB2 GLN 72 -0.900 -11.722 -5.534 472 HB3 GLN 72 HB3 GLN 72 0.583 -10.979 -4.935 473 HG2 GLN 72 HG2 GLN 72 0.282 -12.280 -3.132 474 HG3 GLN 72 HG3 GLN 72 -0.970 -11.161 -2.620 475 HE21 GLN 72 HE21 GLN 72 -3.280 -11.690 -3.573 476 HE22 GLN 72 HE22 GLN 72 -3.643 -13.416 -3.712 477 H ALA 73 H ALA 73 -1.936 -9.199 -2.667 478 HA ALA 73 HA ALA 73 0.400 -7.548 -1.705 479 HB1 ALA 73 HB1 ALA 73 -1.080 -6.098 -0.482 480 HB2 ALA 73 HB2 ALA 73 -1.567 -6.092 -2.193 481 HB3 ALA 73 HB3 ALA 73 -2.508 -7.015 -1.000 482 H VAL 74 H VAL 74 1.276 -8.278 0.115 483 HA VAL 74 HA VAL 74 -0.143 -10.161 1.967 484 HB VAL 74 HB VAL 74 2.617 -10.435 0.724 485 HG11 VAL 74 HG11 VAL 74 2.929 -12.454 2.114 486 HG12 VAL 74 HG12 VAL 74 2.865 -10.994 3.098 487 HG13 VAL 74 HG13 VAL 74 1.444 -12.067 3.004 488 HG21 VAL 74 HG21 VAL 74 0.794 -11.374 -0.636 489 HG22 VAL 74 HG22 VAL 74 1.772 -12.675 0.051 490 HG23 VAL 74 HG23 VAL 74 0.192 -12.276 0.775 491 H LEU 75 H LEU 75 0.001 -9.395 4.008 492 HA LEU 75 HA LEU 75 1.611 -7.038 4.512 493 HB2 LEU 75 HB2 LEU 75 -0.628 -7.296 5.270 494 HB3 LEU 75 HB3 LEU 75 -0.161 -8.557 6.369 495 HG LEU 75 HG LEU 75 1.140 -7.026 7.746 496 HD11 LEU 75 HD11 LEU 75 1.062 -4.464 6.933 497 HD12 LEU 75 HD12 LEU 75 1.002 -5.178 5.337 498 HD13 LEU 75 HD13 LEU 75 2.378 -5.485 6.424 499 HD21 LEU 75 HD21 LEU 75 -1.371 -6.825 7.649 500 HD22 LEU 75 HD22 LEU 75 -1.064 -5.480 6.486 501 HD23 LEU 75 HD23 LEU 75 -0.485 -5.375 8.213 502 H LYS 76 H LYS 76 3.333 -6.744 5.706 503 HA LYS 76 HA LYS 76 4.725 -9.121 6.843 504 HB2 LYS 76 HB2 LYS 76 5.966 -6.533 5.881 505 HB3 LYS 76 HB3 LYS 76 6.807 -7.954 6.464 506 HG2 LYS 76 HG2 LYS 76 5.142 -7.749 3.923 507 HG3 LYS 76 HG3 LYS 76 6.888 -7.821 4.019 508 HD2 LYS 76 HD2 LYS 76 4.969 -10.084 4.740 509 HD3 LYS 76 HD3 LYS 76 5.884 -9.926 3.247 510 HE2 LYS 76 HE2 LYS 76 8.014 -10.063 4.527 511 HE3 LYS 76 HE3 LYS 76 7.092 -10.271 6.021 512 HZ1 LYS 76 HZ1 LYS 76 6.149 -12.320 5.068 513 HZ2 LYS 76 HZ2 LYS 76 7.787 -12.397 5.130 514 HZ3 LYS 76 HZ3 LYS 76 7.034 -12.143 3.698 515 H GLY 77 H GLY 77 3.827 -5.786 7.682 516 HA2 GLY 77 HA2 GLY 77 2.994 -6.697 10.228 517 HA3 GLY 77 HA3 GLY 77 4.605 -5.963 10.423 518 H MET 78 H MET 78 3.984 -4.244 11.666 519 HA MET 78 HA MET 78 2.194 -2.172 10.539 520 HB2 MET 78 HB2 MET 78 1.978 -3.741 13.091 521 HB3 MET 78 HB3 MET 78 1.627 -2.010 13.170 522 HG2 MET 78 HG2 MET 78 -0.025 -2.138 11.485 523 HG3 MET 78 HG3 MET 78 0.469 -3.734 10.977 524 HE1 MET 78 HE1 MET 78 -2.101 -5.878 12.206 525 HE2 MET 78 HE2 MET 78 -1.626 -4.884 10.800 526 HE3 MET 78 HE3 MET 78 -0.407 -5.850 11.647 527 H GLY 79 H GLY 79 2.891 -0.158 10.723 528 HA2 GLY 79 HA2 GLY 79 4.246 1.643 11.610 529 HA3 GLY 79 HA3 GLY 79 5.336 0.475 12.337 Start of MODEL 20 1 H GLY 9 H GLY 9 -10.579 5.208 14.441 2 HA2 GLY 9 HA2 GLY 9 -8.975 3.102 13.095 3 HA3 GLY 9 HA3 GLY 9 -9.309 4.725 12.491 4 H THR 10 H THR 10 -8.198 6.484 13.499 5 HA THR 10 HA THR 10 -6.436 7.648 13.800 6 HB THR 10 HB THR 10 -7.041 7.216 16.081 7 HG1 THR 10 HG1 THR 10 -4.559 7.476 16.718 8 HG21 THR 10 HG21 THR 10 -6.546 4.911 16.492 9 HG22 THR 10 HG22 THR 10 -5.519 5.866 17.543 10 HG23 THR 10 HG23 THR 10 -4.832 5.135 16.064 11 H LEU 11 H LEU 11 -4.122 8.122 13.738 12 HA LEU 11 HA LEU 11 -3.365 6.763 11.414 13 HB2 LEU 11 HB2 LEU 11 -2.619 9.192 12.917 14 HB3 LEU 11 HB3 LEU 11 -1.319 8.528 11.998 15 HG LEU 11 HG LEU 11 -4.073 8.885 10.798 16 HD11 LEU 11 HD11 LEU 11 -3.689 10.978 9.946 17 HD12 LEU 11 HD12 LEU 11 -1.971 11.001 10.405 18 HD13 LEU 11 HD13 LEU 11 -3.249 11.113 11.651 19 HD21 LEU 11 HD21 LEU 11 -1.369 8.979 9.416 20 HD22 LEU 11 HD22 LEU 11 -2.976 8.881 8.660 21 HD23 LEU 11 HD23 LEU 11 -2.326 7.506 9.577 22 H CYS 12 H CYS 12 -2.062 5.326 10.856 23 HA CYS 12 HA CYS 12 0.223 4.424 12.493 24 HB2 CYS 12 HB2 CYS 12 -0.543 2.162 12.413 25 HB3 CYS 12 HB3 CYS 12 -1.945 3.130 12.923 26 HG CYS 12 HG CYS 12 -2.852 3.374 10.349 27 H THR 13 H THR 13 1.819 3.254 11.238 28 HA THR 13 HA THR 13 1.659 3.560 8.245 29 HB THR 13 HB THR 13 3.937 2.623 10.015 30 HG1 THR 13 HG1 THR 13 4.804 4.614 9.578 31 HG21 THR 13 HG21 THR 13 4.071 1.673 7.730 32 HG22 THR 13 HG22 THR 13 5.276 2.956 7.937 33 HG23 THR 13 HG23 THR 13 3.784 3.290 7.037 34 H LEU 14 H LEU 14 1.245 1.871 7.005 35 HA LEU 14 HA LEU 14 1.509 -0.913 8.107 36 HB2 LEU 14 HB2 LEU 14 -0.692 0.430 6.645 37 HB3 LEU 14 HB3 LEU 14 -0.300 -1.233 6.187 38 HG LEU 14 HG LEU 14 -0.477 -0.499 9.151 39 HD11 LEU 14 HD11 LEU 14 -2.754 -1.169 9.134 40 HD12 LEU 14 HD12 LEU 14 -2.719 -1.308 7.333 41 HD13 LEU 14 HD13 LEU 14 -2.500 0.278 8.140 42 HD21 LEU 14 HD21 LEU 14 -1.239 -2.922 9.209 43 HD22 LEU 14 HD22 LEU 14 0.425 -2.719 8.648 44 HD23 LEU 14 HD23 LEU 14 -0.872 -3.003 7.475 45 H GLU 15 H GLU 15 2.493 -2.312 7.074 46 HA GLU 15 HA GLU 15 4.197 -1.441 4.746 47 HB2 GLU 15 HB2 GLU 15 5.062 -3.042 7.183 48 HB3 GLU 15 HB3 GLU 15 6.063 -2.610 5.790 49 HG2 GLU 15 HG2 GLU 15 5.553 -0.183 6.296 50 HG3 GLU 15 HG3 GLU 15 4.831 -0.708 7.819 51 H PHE 16 H PHE 16 3.194 -2.498 3.102 52 HA PHE 16 HA PHE 16 2.712 -5.454 3.339 53 HB2 PHE 16 HB2 PHE 16 1.641 -3.374 1.399 54 HB3 PHE 16 HB3 PHE 16 1.399 -5.106 1.236 55 HD1 PHE 16 HD2 PHE 16 0.554 -2.220 3.430 56 HD2 PHE 16 HD1 PHE 16 -0.205 -6.330 2.372 57 HE1 PHE 16 HE2 PHE 16 -1.628 -2.117 4.616 58 HE2 PHE 16 HE1 PHE 16 -2.386 -6.228 3.554 59 HZ PHE 16 HZ PHE 16 -3.140 -4.104 4.608 60 H ALA 17 H ALA 17 3.497 -6.919 2.020 61 HA ALA 17 HA ALA 17 5.515 -6.149 -0.060 62 HB1 ALA 17 HB1 ALA 17 5.985 -8.555 -0.156 63 HB2 ALA 17 HB2 ALA 17 6.136 -7.927 1.500 64 HB3 ALA 17 HB3 ALA 17 4.697 -8.862 1.035 65 H VAL 18 H VAL 18 5.118 -6.423 -2.273 66 HA VAL 18 HA VAL 18 2.513 -7.500 -3.212 67 HB VAL 18 HB VAL 18 2.183 -5.430 -4.597 68 HG11 VAL 18 HG11 VAL 18 2.109 -4.830 -1.603 69 HG12 VAL 18 HG12 VAL 18 1.163 -4.059 -2.883 70 HG13 VAL 18 HG13 VAL 18 0.869 -5.755 -2.485 71 HG21 VAL 18 HG21 VAL 18 4.237 -4.259 -2.761 72 HG22 VAL 18 HG22 VAL 18 4.429 -4.568 -4.494 73 HG23 VAL 18 HG23 VAL 18 3.205 -3.402 -3.944 74 H GLN 19 H GLN 19 2.348 -7.943 -5.454 75 HA GLN 19 HA GLN 19 4.942 -8.558 -6.700 76 HB2 GLN 19 HB2 GLN 19 3.244 -10.248 -6.690 77 HB3 GLN 19 HB3 GLN 19 2.076 -9.175 -7.461 78 HG2 GLN 19 HG2 GLN 19 3.005 -10.832 -9.035 79 HG3 GLN 19 HG3 GLN 19 3.308 -9.190 -9.542 80 HE21 GLN 19 HE21 GLN 19 5.140 -9.603 -10.827 81 HE22 GLN 19 HE22 GLN 19 6.647 -10.203 -10.129 82 H MET 20 H MET 20 5.920 -6.611 -7.348 83 HA MET 20 HA MET 20 4.940 -5.799 -10.024 84 HB2 MET 20 HB2 MET 20 5.567 -3.383 -9.465 85 HB3 MET 20 HB3 MET 20 4.019 -3.985 -8.871 86 HG2 MET 20 HG2 MET 20 4.731 -4.106 -6.663 87 HG3 MET 20 HG3 MET 20 6.446 -4.142 -7.084 88 HE1 MET 20 HE1 MET 20 5.473 -0.883 -4.965 89 HE2 MET 20 HE2 MET 20 4.138 -2.029 -5.275 90 HE3 MET 20 HE3 MET 20 5.767 -2.642 -4.871 91 H THR 21 H THR 21 6.522 -4.667 -11.355 92 HA THR 21 HA THR 21 9.283 -5.668 -10.801 93 HB THR 21 HB THR 21 9.235 -6.583 -13.128 94 HG1 THR 21 HG1 THR 21 7.625 -6.090 -14.269 95 HG21 THR 21 HG21 THR 21 7.050 -7.764 -11.369 96 HG22 THR 21 HG22 THR 21 8.790 -8.034 -11.128 97 HG23 THR 21 HG23 THR 21 8.003 -8.585 -12.618 98 H CYS 22 H CYS 22 7.573 -2.999 -12.369 99 HA CYS 22 HA CYS 22 10.224 -1.793 -12.640 100 HB2 CYS 22 HB2 CYS 22 10.173 -1.236 -14.839 101 HB3 CYS 22 HB3 CYS 22 9.430 -2.805 -14.897 102 H GLN 23 H GLN 23 10.067 0.597 -13.195 103 HA GLN 23 HA GLN 23 8.886 1.905 -11.014 104 HB2 GLN 23 HB2 GLN 23 10.096 2.966 -13.566 105 HB3 GLN 23 HB3 GLN 23 9.448 4.046 -12.335 106 HG2 GLN 23 HG2 GLN 23 11.685 2.038 -11.899 107 HG3 GLN 23 HG3 GLN 23 11.857 3.781 -12.052 108 HE21 GLN 23 HE21 GLN 23 11.511 1.249 -9.807 109 HE22 GLN 23 HE22 GLN 23 11.081 2.238 -8.407 110 H SER 24 H SER 24 7.205 1.229 -14.006 111 HA SER 24 HA SER 24 5.163 3.312 -13.531 112 HB2 SER 24 HB2 SER 24 5.239 0.999 -15.491 113 HB3 SER 24 HB3 SER 24 4.052 2.319 -15.473 114 HG SER 24 HG SER 24 5.644 2.748 -16.937 115 H CYS 25 H CYS 25 5.609 0.028 -12.413 116 HA CYS 25 HA CYS 25 2.752 -0.443 -11.952 117 HB2 CYS 25 HB2 CYS 25 5.296 -1.902 -11.157 118 HB3 CYS 25 HB3 CYS 25 3.655 -2.491 -10.891 119 H VAL 26 H VAL 26 5.593 0.510 -10.122 120 HA VAL 26 HA VAL 26 4.705 0.885 -7.442 121 HB VAL 26 HB VAL 26 6.366 3.060 -8.705 122 HG11 VAL 26 HG11 VAL 26 6.214 2.709 -6.218 123 HG12 VAL 26 HG12 VAL 26 7.010 1.102 -6.471 124 HG13 VAL 26 HG13 VAL 26 7.874 2.590 -6.844 125 HG21 VAL 26 HG21 VAL 26 7.283 0.219 -8.665 126 HG22 VAL 26 HG22 VAL 26 7.107 1.290 -10.067 127 HG23 VAL 26 HG23 VAL 26 8.356 1.641 -8.859 128 H ASP 27 H ASP 27 4.569 3.180 -10.192 129 HA ASP 27 HA ASP 27 3.085 5.236 -8.959 130 HB2 ASP 27 HB2 ASP 27 4.367 5.066 -11.231 131 HB3 ASP 27 HB3 ASP 27 2.875 4.421 -11.873 132 H ALA 28 H ALA 28 2.001 2.291 -10.597 133 HA ALA 28 HA ALA 28 -0.799 3.082 -10.717 134 HB1 ALA 28 HB1 ALA 28 0.338 1.502 -12.293 135 HB2 ALA 28 HB2 ALA 28 0.435 0.305 -10.989 136 HB3 ALA 28 HB3 ALA 28 -1.148 0.848 -11.577 137 H VAL 29 H VAL 29 1.041 0.768 -8.584 138 HA VAL 29 HA VAL 29 -1.260 0.299 -6.974 139 HB VAL 29 HB VAL 29 1.671 -0.298 -6.373 140 HG11 VAL 29 HG11 VAL 29 -0.845 -1.791 -5.554 141 HG12 VAL 29 HG12 VAL 29 0.817 -2.119 -5.024 142 HG13 VAL 29 HG13 VAL 29 0.013 -0.634 -4.488 143 HG21 VAL 29 HG21 VAL 29 -0.395 -2.055 -7.799 144 HG22 VAL 29 HG22 VAL 29 1.003 -1.344 -8.581 145 HG23 VAL 29 HG23 VAL 29 1.247 -2.550 -7.327 146 H ARG 30 H ARG 30 1.262 2.765 -6.801 147 HA ARG 30 HA ARG 30 0.559 3.854 -4.219 148 HB2 ARG 30 HB2 ARG 30 1.561 5.033 -6.862 149 HB3 ARG 30 HB3 ARG 30 1.196 6.079 -5.501 150 HG2 ARG 30 HG2 ARG 30 2.931 5.264 -4.187 151 HG3 ARG 30 HG3 ARG 30 3.160 3.803 -5.172 152 HD2 ARG 30 HD2 ARG 30 4.271 4.928 -6.888 153 HD3 ARG 30 HD3 ARG 30 3.505 6.474 -6.506 154 HE ARG 30 HE ARG 30 5.903 5.284 -5.206 155 HH11 ARG 30 HH11 ARG 30 3.804 8.139 -5.539 156 HH12 ARG 30 HH12 ARG 30 4.841 9.045 -4.458 157 HH21 ARG 30 HH21 ARG 30 7.165 6.616 -3.999 158 HH22 ARG 30 HH22 ARG 30 6.638 8.267 -3.696 159 H LYS 31 H LYS 31 -0.845 4.369 -7.496 160 HA LYS 31 HA LYS 31 -2.583 6.443 -6.503 161 HB2 LYS 31 HB2 LYS 31 -2.086 5.288 -9.230 162 HB3 LYS 31 HB3 LYS 31 -3.368 6.495 -8.928 163 HG2 LYS 31 HG2 LYS 31 -1.831 8.014 -7.858 164 HG3 LYS 31 HG3 LYS 31 -0.514 6.834 -7.905 165 HD2 LYS 31 HD2 LYS 31 -0.317 7.031 -10.300 166 HD3 LYS 31 HD3 LYS 31 -1.710 8.161 -10.360 167 HE2 LYS 31 HE2 LYS 31 -0.616 9.809 -9.090 168 HE3 LYS 31 HE3 LYS 31 0.511 8.649 -8.391 169 HZ1 LYS 31 HZ1 LYS 31 1.613 10.045 -9.983 170 HZ2 LYS 31 HZ2 LYS 31 0.615 9.549 -11.223 171 HZ3 LYS 31 HZ3 LYS 31 1.647 8.491 -10.494 172 H SER 32 H SER 32 -3.143 3.082 -6.777 173 HA SER 32 HA SER 32 -5.996 3.203 -6.278 174 HB2 SER 32 HB2 SER 32 -4.767 1.152 -6.901 175 HB3 SER 32 HB3 SER 32 -4.006 1.120 -5.300 176 HG SER 32 HG SER 32 -5.819 -0.038 -4.907 177 H LEU 33 H LEU 33 -3.222 3.995 -4.240 178 HA LEU 33 HA LEU 33 -4.822 4.021 -1.731 179 HB2 LEU 33 HB2 LEU 33 -1.920 4.805 -2.108 180 HB3 LEU 33 HB3 LEU 33 -2.699 4.315 -0.629 181 HG LEU 33 HG LEU 33 -2.271 2.377 -2.948 182 HD11 LEU 33 HD11 LEU 33 -0.422 2.951 -0.608 183 HD12 LEU 33 HD12 LEU 33 -0.094 3.352 -2.293 184 HD13 LEU 33 HD13 LEU 33 -0.231 1.657 -1.821 185 HD21 LEU 33 HD21 LEU 33 -2.362 0.718 -1.227 186 HD22 LEU 33 HD22 LEU 33 -3.840 1.698 -1.158 187 HD23 LEU 33 HD23 LEU 33 -2.537 1.948 0.047 188 H GLN 34 H GLN 34 -3.061 6.217 -3.915 189 HA GLN 34 HA GLN 34 -2.932 8.384 -2.106 190 HB2 GLN 34 HB2 GLN 34 -1.237 7.870 -3.660 191 HB3 GLN 34 HB3 GLN 34 -2.352 7.942 -5.030 192 HG2 GLN 34 HG2 GLN 34 -2.555 10.296 -4.869 193 HG3 GLN 34 HG3 GLN 34 -1.634 10.351 -3.350 194 HE21 GLN 34 HE21 GLN 34 -0.118 11.836 -4.399 195 HE22 GLN 34 HE22 GLN 34 1.176 11.119 -5.366 196 H GLY 35 H GLY 35 -4.463 9.743 -1.547 197 HA2 GLY 35 HA2 GLY 35 -6.243 11.261 -1.774 198 HA3 GLY 35 HA3 GLY 35 -6.532 10.724 -3.431 199 H VAL 36 H VAL 36 -6.279 8.061 -1.197 200 HA VAL 36 HA VAL 36 -9.180 7.609 -1.164 201 HB VAL 36 HB VAL 36 -6.838 6.057 -0.017 202 HG11 VAL 36 HG11 VAL 36 -8.479 4.286 0.536 203 HG12 VAL 36 HG12 VAL 36 -8.651 5.722 1.536 204 HG13 VAL 36 HG13 VAL 36 -9.803 5.424 0.202 205 HG21 VAL 36 HG21 VAL 36 -8.877 5.414 -2.202 206 HG22 VAL 36 HG22 VAL 36 -7.186 5.882 -2.480 207 HG23 VAL 36 HG23 VAL 36 -7.554 4.361 -1.659 208 H ALA 37 H ALA 37 -10.455 8.229 0.345 209 HA ALA 37 HA ALA 37 -9.908 9.993 2.440 210 HB1 ALA 37 HB1 ALA 37 -12.185 9.360 3.248 211 HB2 ALA 37 HB2 ALA 37 -12.132 9.636 1.500 212 HB3 ALA 37 HB3 ALA 37 -12.181 7.977 2.138 213 H GLY 38 H GLY 38 -8.551 9.727 4.045 214 HA2 GLY 38 HA2 GLY 38 -8.128 8.926 6.299 215 HA3 GLY 38 HA3 GLY 38 -8.619 7.308 5.816 216 H VAL 39 H VAL 39 -6.693 8.461 3.297 217 HA VAL 39 HA VAL 39 -4.154 7.357 4.449 218 HB VAL 39 HB VAL 39 -5.040 7.680 1.559 219 HG11 VAL 39 HG11 VAL 39 -2.439 6.568 2.735 220 HG12 VAL 39 HG12 VAL 39 -2.940 6.440 1.033 221 HG13 VAL 39 HG13 VAL 39 -2.599 8.023 1.723 222 HG21 VAL 39 HG21 VAL 39 -4.542 5.186 3.246 223 HG22 VAL 39 HG22 VAL 39 -6.125 5.779 2.693 224 HG23 VAL 39 HG23 VAL 39 -4.938 5.222 1.514 225 H GLN 40 H GLN 40 -2.523 8.671 4.868 226 HA GLN 40 HA GLN 40 -2.789 11.569 4.248 227 HB2 GLN 40 HB2 GLN 40 -1.545 9.948 6.504 228 HB3 GLN 40 HB3 GLN 40 -1.240 11.655 6.337 229 HG2 GLN 40 HG2 GLN 40 -3.986 10.398 6.696 230 HG3 GLN 40 HG3 GLN 40 -3.017 11.205 7.921 231 HE21 GLN 40 HE21 GLN 40 -5.556 12.085 7.605 232 HE22 GLN 40 HE22 GLN 40 -5.449 13.710 6.914 233 H ASP 41 H ASP 41 -0.418 8.953 4.214 234 HA ASP 41 HA ASP 41 1.032 10.247 2.029 235 HB2 ASP 41 HB2 ASP 41 2.361 9.708 4.691 236 HB3 ASP 41 HB3 ASP 41 3.270 9.429 3.260 237 H VAL 42 H VAL 42 2.558 8.819 1.099 238 HA VAL 42 HA VAL 42 2.477 5.940 1.740 239 HB VAL 42 HB VAL 42 2.321 5.344 -0.662 240 HG11 VAL 42 HG11 VAL 42 -0.108 5.477 -0.835 241 HG12 VAL 42 HG12 VAL 42 0.380 5.102 0.829 242 HG13 VAL 42 HG13 VAL 42 -0.161 6.741 0.405 243 HG21 VAL 42 HG21 VAL 42 1.289 6.846 -2.295 244 HG22 VAL 42 HG22 VAL 42 1.293 8.173 -1.120 245 HG23 VAL 42 HG23 VAL 42 2.825 7.519 -1.733 246 H GLU 43 H GLU 43 4.334 4.834 1.089 247 HA GLU 43 HA GLU 43 6.478 6.276 -0.363 248 HB2 GLU 43 HB2 GLU 43 6.803 6.851 2.025 249 HB3 GLU 43 HB3 GLU 43 6.885 5.141 2.442 250 HG2 GLU 43 HG2 GLU 43 8.915 4.850 1.200 251 HG3 GLU 43 HG3 GLU 43 8.802 6.475 0.512 252 H VAL 44 H VAL 44 7.227 4.854 -1.893 253 HA VAL 44 HA VAL 44 6.435 1.970 -1.510 254 HB VAL 44 HB VAL 44 5.820 3.586 -3.993 255 HG11 VAL 44 HG11 VAL 44 5.145 0.728 -3.162 256 HG12 VAL 44 HG12 VAL 44 4.683 1.560 -4.676 257 HG13 VAL 44 HG13 VAL 44 6.374 1.161 -4.349 258 HG21 VAL 44 HG21 VAL 44 3.476 2.877 -3.188 259 HG22 VAL 44 HG22 VAL 44 4.250 2.695 -1.589 260 HG23 VAL 44 HG23 VAL 44 4.260 4.270 -2.393 261 H HIS 45 H HIS 45 7.730 0.528 -1.920 262 HA HIS 45 HA HIS 45 10.479 1.248 -2.904 263 HB2 HIS 45 HB2 HIS 45 9.439 -0.267 -0.503 264 HB3 HIS 45 HB3 HIS 45 11.084 -0.532 -1.095 265 HD1 HIS 45 HD1 HIS 45 12.922 1.116 -0.342 266 HD2 HIS 45 HD2 HIS 45 8.965 2.334 0.498 267 HE1 HIS 45 HE1 HIS 45 13.102 3.265 1.000 268 H LEU 46 H LEU 46 9.909 0.457 -5.015 269 HA LEU 46 HA LEU 46 9.253 -2.262 -5.566 270 HB2 LEU 46 HB2 LEU 46 9.266 -0.380 -7.084 271 HB3 LEU 46 HB3 LEU 46 10.989 -0.302 -7.073 272 HG LEU 46 HG LEU 46 11.279 -2.027 -8.563 273 HD11 LEU 46 HD11 LEU 46 10.508 -3.982 -7.413 274 HD12 LEU 46 HD12 LEU 46 9.598 -3.932 -8.883 275 HD13 LEU 46 HD13 LEU 46 8.811 -3.390 -7.382 276 HD21 LEU 46 HD21 LEU 46 9.517 -0.453 -9.457 277 HD22 LEU 46 HD22 LEU 46 8.298 -1.609 -8.822 278 HD23 LEU 46 HD23 LEU 46 9.408 -2.088 -10.136 279 H GLU 47 H GLU 47 12.223 -0.649 -4.687 280 HA GLU 47 HA GLU 47 13.976 -2.890 -5.131 281 HB2 GLU 47 HB2 GLU 47 14.470 -0.467 -3.375 282 HB3 GLU 47 HB3 GLU 47 15.672 -1.585 -4.032 283 HG2 GLU 47 HG2 GLU 47 15.826 -0.209 -5.805 284 HG3 GLU 47 HG3 GLU 47 14.280 -0.879 -6.342 285 H ASP 48 H ASP 48 11.674 -2.593 -2.674 286 HA ASP 48 HA ASP 48 12.829 -5.077 -1.499 287 HB2 ASP 48 HB2 ASP 48 12.277 -2.773 -0.012 288 HB3 ASP 48 HB3 ASP 48 10.823 -3.694 0.182 289 H GLN 49 H GLN 49 10.690 -4.085 -3.681 290 HA GLN 49 HA GLN 49 8.596 -4.349 -4.353 291 HB2 GLN 49 HB2 GLN 49 8.728 -7.156 -3.257 292 HB3 GLN 49 HB3 GLN 49 7.712 -6.534 -4.540 293 HG2 GLN 49 HG2 GLN 49 9.312 -7.670 -5.737 294 HG3 GLN 49 HG3 GLN 49 9.823 -5.998 -5.873 295 HE21 GLN 49 HE21 GLN 49 11.953 -5.494 -5.168 296 HE22 GLN 49 HE22 GLN 49 13.012 -6.725 -4.476 297 H MET 50 H MET 50 8.797 -3.068 -1.907 298 HA MET 50 HA MET 50 6.480 -4.013 -0.326 299 HB2 MET 50 HB2 MET 50 8.587 -4.171 0.823 300 HB3 MET 50 HB3 MET 50 8.956 -2.470 0.500 301 HG2 MET 50 HG2 MET 50 7.380 -1.681 2.040 302 HG3 MET 50 HG3 MET 50 6.500 -3.209 2.091 303 HE1 MET 50 HE1 MET 50 8.301 -5.488 4.431 304 HE2 MET 50 HE2 MET 50 6.819 -5.093 3.525 305 HE3 MET 50 HE3 MET 50 8.319 -5.509 2.654 306 H VAL 51 H VAL 51 5.125 -2.445 0.717 307 HA VAL 51 HA VAL 51 5.025 0.297 -0.451 308 HB VAL 51 HB VAL 51 2.468 -1.239 0.143 309 HG11 VAL 51 HG11 VAL 51 2.566 1.253 -0.380 310 HG12 VAL 51 HG12 VAL 51 3.239 0.787 -1.967 311 HG13 VAL 51 HG13 VAL 51 1.593 0.298 -1.521 312 HG21 VAL 51 HG21 VAL 51 4.016 -1.488 -2.446 313 HG22 VAL 51 HG22 VAL 51 3.483 -2.779 -1.333 314 HG23 VAL 51 HG23 VAL 51 2.283 -1.856 -2.241 315 H LEU 52 H LEU 52 5.002 1.820 1.121 316 HA LEU 52 HA LEU 52 3.911 1.150 3.804 317 HB2 LEU 52 HB2 LEU 52 5.617 3.507 2.966 318 HB3 LEU 52 HB3 LEU 52 4.897 3.265 4.536 319 HG LEU 52 HG LEU 52 6.274 0.980 4.507 320 HD11 LEU 52 HD11 LEU 52 8.446 1.164 3.364 321 HD12 LEU 52 HD12 LEU 52 7.888 2.640 2.548 322 HD13 LEU 52 HD13 LEU 52 7.123 1.077 2.199 323 HD21 LEU 52 HD21 LEU 52 6.667 2.902 6.039 324 HD22 LEU 52 HD22 LEU 52 7.684 3.662 4.793 325 HD23 LEU 52 HD23 LEU 52 8.172 2.125 5.540 326 H VAL 53 H VAL 53 2.202 2.143 4.601 327 HA VAL 53 HA VAL 53 0.839 4.277 3.041 328 HB VAL 53 HB VAL 53 -0.596 1.814 4.114 329 HG11 VAL 53 HG11 VAL 53 -1.464 4.046 2.213 330 HG12 VAL 53 HG12 VAL 53 -2.469 2.694 2.775 331 HG13 VAL 53 HG13 VAL 53 -1.929 3.923 3.921 332 HG21 VAL 53 HG21 VAL 53 0.381 2.372 1.314 333 HG22 VAL 53 HG22 VAL 53 0.699 0.952 2.322 334 HG23 VAL 53 HG23 VAL 53 -0.925 1.216 1.688 335 H HIS 54 H HIS 54 0.974 5.897 4.420 336 HA HIS 54 HA HIS 54 0.655 5.576 7.337 337 HB2 HIS 54 HB2 HIS 54 1.084 8.024 5.599 338 HB3 HIS 54 HB3 HIS 54 1.067 8.020 7.350 339 HD1 HIS 54 HD1 HIS 54 3.350 7.514 8.517 340 HD2 HIS 54 HD2 HIS 54 3.207 6.496 4.440 341 HE1 HIS 54 HE1 HIS 54 5.691 6.734 7.894 342 H THR 55 H THR 55 -1.427 5.213 8.016 343 HA THR 55 HA THR 55 -3.681 6.815 6.922 344 HB THR 55 HB THR 55 -3.307 5.051 5.316 345 HG1 THR 55 HG1 THR 55 -5.434 5.725 5.922 346 HG21 THR 55 HG21 THR 55 -3.693 2.689 5.801 347 HG22 THR 55 HG22 THR 55 -3.910 3.032 7.527 348 HG23 THR 55 HG23 THR 55 -2.323 3.257 6.764 349 H THR 56 H THR 56 -5.680 6.613 8.001 350 HA THR 56 HA THR 56 -5.697 5.378 10.696 351 HB THR 56 HB THR 56 -7.883 6.430 10.996 352 HG1 THR 56 HG1 THR 56 -8.615 7.793 9.244 353 HG21 THR 56 HG21 THR 56 -5.914 7.824 11.407 354 HG22 THR 56 HG22 THR 56 -7.319 8.755 10.883 355 HG23 THR 56 HG23 THR 56 -5.998 8.432 9.736 356 H LEU 57 H LEU 57 -6.246 4.130 7.653 357 HA LEU 57 HA LEU 57 -8.721 2.694 8.067 358 HB2 LEU 57 HB2 LEU 57 -6.446 2.328 6.074 359 HB3 LEU 57 HB3 LEU 57 -7.991 1.503 5.965 360 HG LEU 57 HG LEU 57 -7.568 4.518 5.702 361 HD11 LEU 57 HD11 LEU 57 -6.814 3.153 3.771 362 HD12 LEU 57 HD12 LEU 57 -8.234 4.137 3.384 363 HD13 LEU 57 HD13 LEU 57 -8.427 2.398 3.692 364 HD21 LEU 57 HD21 LEU 57 -9.944 4.517 4.982 365 HD22 LEU 57 HD22 LEU 57 -9.703 4.232 6.713 366 HD23 LEU 57 HD23 LEU 57 -10.091 2.873 5.637 367 HA PRO 58 HA PRO 58 -7.037 -1.059 9.957 368 HB2 PRO 58 HB2 PRO 58 -9.071 -2.707 8.610 369 HB3 PRO 58 HB3 PRO 58 -8.902 -2.353 10.349 370 HG2 PRO 58 HG2 PRO 58 -10.966 -1.345 8.814 371 HG3 PRO 58 HG3 PRO 58 -10.232 -0.388 10.144 372 HD2 PRO 58 HD2 PRO 58 -9.479 -0.376 7.209 373 HD3 PRO 58 HD3 PRO 58 -9.987 1.015 8.126 374 H SER 59 H SER 59 -5.570 -2.774 9.284 375 HA SER 59 HA SER 59 -4.658 -2.676 6.589 376 HB2 SER 59 HB2 SER 59 -3.775 -5.141 7.326 377 HB3 SER 59 HB3 SER 59 -2.956 -3.616 7.560 378 HG SER 59 HG SER 59 -3.950 -3.576 9.733 379 H GLN 60 H GLN 60 -7.202 -4.660 7.932 380 HA GLN 60 HA GLN 60 -7.671 -6.501 5.839 381 HB2 GLN 60 HB2 GLN 60 -9.811 -5.014 7.403 382 HB3 GLN 60 HB3 GLN 60 -9.946 -6.566 6.579 383 HG2 GLN 60 HG2 GLN 60 -9.703 -7.200 8.823 384 HG3 GLN 60 HG3 GLN 60 -8.084 -7.394 8.204 385 HE21 GLN 60 HE21 GLN 60 -6.536 -6.390 9.542 386 HE22 GLN 60 HE22 GLN 60 -7.028 -5.245 10.797 387 H GLU 61 H GLU 61 -8.339 -3.033 5.979 388 HA GLU 61 HA GLU 61 -9.995 -3.005 3.558 389 HB2 GLU 61 HB2 GLU 61 -10.330 -1.656 5.688 390 HB3 GLU 61 HB3 GLU 61 -8.933 -0.671 5.182 391 HG2 GLU 61 HG2 GLU 61 -10.048 0.048 3.210 392 HG3 GLU 61 HG3 GLU 61 -11.380 -1.101 3.492 393 H VAL 62 H VAL 62 -6.728 -1.868 4.567 394 HA VAL 62 HA VAL 62 -6.048 -0.715 2.047 395 HB VAL 62 HB VAL 62 -4.024 -1.850 4.017 396 HG11 VAL 62 HG11 VAL 62 -2.706 0.096 3.294 397 HG12 VAL 62 HG12 VAL 62 -3.231 -0.832 1.882 398 HG13 VAL 62 HG13 VAL 62 -4.075 0.670 2.307 399 HG21 VAL 62 HG21 VAL 62 -5.558 0.743 4.393 400 HG22 VAL 62 HG22 VAL 62 -5.451 -0.641 5.505 401 HG23 VAL 62 HG23 VAL 62 -4.030 0.328 5.222 402 H GLN 63 H GLN 63 -5.539 -4.008 3.430 403 HA GLN 63 HA GLN 63 -4.066 -5.097 1.228 404 HB2 GLN 63 HB2 GLN 63 -4.528 -6.289 3.388 405 HB3 GLN 63 HB3 GLN 63 -6.211 -6.468 2.897 406 HG2 GLN 63 HG2 GLN 63 -5.500 -7.667 0.842 407 HG3 GLN 63 HG3 GLN 63 -3.790 -7.446 1.276 408 HE21 GLN 63 HE21 GLN 63 -5.497 -9.909 0.816 409 HE22 GLN 63 HE22 GLN 63 -5.123 -10.877 2.235 410 H ALA 64 H ALA 64 -7.659 -4.576 1.515 411 HA ALA 64 HA ALA 64 -8.035 -5.944 -1.020 412 HB1 ALA 64 HB1 ALA 64 -9.772 -6.098 0.599 413 HB2 ALA 64 HB2 ALA 64 -9.813 -4.342 0.857 414 HB3 ALA 64 HB3 ALA 64 -10.402 -5.030 -0.674 415 H LEU 65 H LEU 65 -7.436 -2.608 0.031 416 HA LEU 65 HA LEU 65 -8.057 -1.333 -2.438 417 HB2 LEU 65 HB2 LEU 65 -6.396 -0.596 -0.055 418 HB3 LEU 65 HB3 LEU 65 -6.416 0.415 -1.472 419 HG LEU 65 HG LEU 65 -8.970 -0.424 -0.013 420 HD11 LEU 65 HD11 LEU 65 -7.576 0.839 1.534 421 HD12 LEU 65 HD12 LEU 65 -8.929 1.831 0.996 422 HD13 LEU 65 HD13 LEU 65 -7.309 2.103 0.304 423 HD21 LEU 65 HD21 LEU 65 -8.383 1.805 -2.012 424 HD22 LEU 65 HD22 LEU 65 -9.924 1.565 -1.156 425 HD23 LEU 65 HD23 LEU 65 -9.367 0.353 -2.308 426 H LEU 66 H LEU 66 -5.098 -2.698 -1.119 427 HA LEU 66 HA LEU 66 -3.366 -2.268 -3.391 428 HB2 LEU 66 HB2 LEU 66 -3.316 -4.206 -1.042 429 HB3 LEU 66 HB3 LEU 66 -2.000 -4.070 -2.194 430 HG LEU 66 HG LEU 66 -2.955 -1.587 -0.723 431 HD11 LEU 66 HD11 LEU 66 -2.575 -3.204 1.067 432 HD12 LEU 66 HD12 LEU 66 -1.261 -2.039 1.018 433 HD13 LEU 66 HD13 LEU 66 -1.017 -3.669 0.345 434 HD21 LEU 66 HD21 LEU 66 -1.346 -1.323 -2.574 435 HD22 LEU 66 HD22 LEU 66 -0.244 -2.478 -1.786 436 HD23 LEU 66 HD23 LEU 66 -0.606 -0.923 -1.016 437 H GLU 67 H GLU 67 -5.258 -5.146 -2.351 438 HA GLU 67 HA GLU 67 -4.660 -6.881 -4.519 439 HB2 GLU 67 HB2 GLU 67 -6.980 -6.523 -2.618 440 HB3 GLU 67 HB3 GLU 67 -7.042 -7.787 -3.791 441 HG2 GLU 67 HG2 GLU 67 -4.880 -8.700 -2.935 442 HG3 GLU 67 HG3 GLU 67 -4.822 -7.496 -1.707 443 H GLY 68 H GLY 68 -7.113 -4.314 -4.272 444 HA2 GLY 68 HA2 GLY 68 -8.504 -4.739 -6.711 445 HA3 GLY 68 HA3 GLY 68 -8.352 -3.207 -5.844 446 H THR 69 H THR 69 -5.218 -3.929 -6.452 447 HA THR 69 HA THR 69 -5.037 -2.443 -9.003 448 HB THR 69 HB THR 69 -2.629 -2.382 -8.609 449 HG1 THR 69 HG1 THR 69 -3.009 -3.908 -6.289 450 HG21 THR 69 HG21 THR 69 -4.055 -0.790 -7.456 451 HG22 THR 69 HG22 THR 69 -2.619 -1.180 -6.516 452 HG23 THR 69 HG23 THR 69 -4.168 -1.856 -6.037 453 H GLY 70 H GLY 70 -5.592 -5.642 -8.209 454 HA2 GLY 70 HA2 GLY 70 -5.826 -7.447 -9.657 455 HA3 GLY 70 HA3 GLY 70 -4.925 -6.595 -10.914 456 H ARG 71 H ARG 71 -3.500 -6.817 -7.719 457 HA ARG 71 HA ARG 71 -1.479 -8.808 -8.642 458 HB2 ARG 71 HB2 ARG 71 -1.075 -6.160 -7.181 459 HB3 ARG 71 HB3 ARG 71 0.203 -7.317 -7.559 460 HG2 ARG 71 HG2 ARG 71 0.005 -6.914 -9.927 461 HG3 ARG 71 HG3 ARG 71 -1.472 -5.952 -9.719 462 HD2 ARG 71 HD2 ARG 71 -0.244 -4.304 -8.372 463 HD3 ARG 71 HD3 ARG 71 1.244 -5.199 -8.595 464 HE ARG 71 HE ARG 71 -0.210 -3.563 -10.596 465 HH11 ARG 71 HH11 ARG 71 2.419 -5.889 -10.271 466 HH12 ARG 71 HH12 ARG 71 3.089 -5.412 -11.818 467 HH21 ARG 71 HH21 ARG 71 0.734 -2.944 -12.337 468 HH22 ARG 71 HH22 ARG 71 2.359 -3.481 -12.750 469 H GLN 72 H GLN 72 -0.494 -9.979 -7.029 470 HA GLN 72 HA GLN 72 -1.864 -10.468 -4.553 471 HB2 GLN 72 HB2 GLN 72 -0.397 -12.072 -5.699 472 HB3 GLN 72 HB3 GLN 72 1.016 -11.085 -5.321 473 HG2 GLN 72 HG2 GLN 72 1.000 -12.888 -3.776 474 HG3 GLN 72 HG3 GLN 72 0.488 -11.484 -2.857 475 HE21 GLN 72 HE21 GLN 72 -0.334 -13.286 -1.357 476 HE22 GLN 72 HE22 GLN 72 -1.903 -13.964 -1.730 477 H ALA 73 H ALA 73 -1.616 -9.794 -2.676 478 HA ALA 73 HA ALA 73 0.470 -7.822 -1.760 479 HB1 ALA 73 HB1 ALA 73 -2.538 -7.566 -1.327 480 HB2 ALA 73 HB2 ALA 73 -1.275 -6.493 -0.684 481 HB3 ALA 73 HB3 ALA 73 -1.569 -6.572 -2.436 482 H VAL 74 H VAL 74 1.363 -8.539 0.045 483 HA VAL 74 HA VAL 74 -0.116 -10.249 2.010 484 HB VAL 74 HB VAL 74 2.651 -10.695 0.882 485 HG11 VAL 74 HG11 VAL 74 2.809 -12.618 2.492 486 HG12 VAL 74 HG12 VAL 74 2.835 -11.048 3.291 487 HG13 VAL 74 HG13 VAL 74 1.343 -12.019 3.297 488 HG21 VAL 74 HG21 VAL 74 1.763 -12.978 0.390 489 HG22 VAL 74 HG22 VAL 74 0.180 -12.476 1.029 490 HG23 VAL 74 HG23 VAL 74 0.842 -11.715 -0.440 491 H LEU 75 H LEU 75 -0.169 -9.169 3.810 492 HA LEU 75 HA LEU 75 1.490 -6.884 4.361 493 HB2 LEU 75 HB2 LEU 75 -0.795 -7.180 5.058 494 HB3 LEU 75 HB3 LEU 75 -0.353 -8.432 6.165 495 HG LEU 75 HG LEU 75 0.713 -6.916 7.682 496 HD11 LEU 75 HD11 LEU 75 2.176 -5.452 6.523 497 HD12 LEU 75 HD12 LEU 75 0.901 -4.373 6.936 498 HD13 LEU 75 HD13 LEU 75 0.955 -5.025 5.302 499 HD21 LEU 75 HD21 LEU 75 -1.211 -5.253 6.135 500 HD22 LEU 75 HD22 LEU 75 -0.893 -5.159 7.903 501 HD23 LEU 75 HD23 LEU 75 -1.763 -6.574 7.223 502 H LYS 76 H LYS 76 3.155 -6.571 5.640 503 HA LYS 76 HA LYS 76 4.548 -8.956 6.792 504 HB2 LYS 76 HB2 LYS 76 5.706 -6.311 5.831 505 HB3 LYS 76 HB3 LYS 76 6.609 -7.546 6.674 506 HG2 LYS 76 HG2 LYS 76 5.235 -7.910 3.962 507 HG3 LYS 76 HG3 LYS 76 6.965 -7.677 4.252 508 HD2 LYS 76 HD2 LYS 76 6.855 -9.764 5.735 509 HD3 LYS 76 HD3 LYS 76 5.254 -10.067 5.022 510 HE2 LYS 76 HE2 LYS 76 6.109 -10.533 2.917 511 HE3 LYS 76 HE3 LYS 76 7.572 -9.556 3.180 512 HZ1 LYS 76 HZ1 LYS 76 7.991 -12.006 3.295 513 HZ2 LYS 76 HZ2 LYS 76 7.068 -12.064 4.672 514 HZ3 LYS 76 HZ3 LYS 76 8.449 -11.163 4.611 515 H GLY 77 H GLY 77 3.585 -5.648 7.624 516 HA2 GLY 77 HA2 GLY 77 2.471 -6.372 10.036 517 HA3 GLY 77 HA3 GLY 77 4.132 -5.926 10.438 518 H MET 78 H MET 78 2.745 -4.326 11.685 519 HA MET 78 HA MET 78 2.078 -1.876 10.221 520 HB2 MET 78 HB2 MET 78 2.062 -2.494 13.200 521 HB3 MET 78 HB3 MET 78 1.560 -0.997 12.418 522 HG2 MET 78 HG2 MET 78 -0.521 -1.979 12.492 523 HG3 MET 78 HG3 MET 78 0.042 -2.648 10.988 524 HE1 MET 78 HE1 MET 78 -1.151 -4.809 10.649 525 HE2 MET 78 HE2 MET 78 -1.745 -5.823 11.983 526 HE3 MET 78 HE3 MET 78 -2.254 -4.122 11.863 527 H GLY 79 H GLY 79 3.269 -0.071 10.325 528 HA2 GLY 79 HA2 GLY 79 6.161 -0.523 10.329 529 HA3 GLY 79 HA3 GLY 79 5.330 0.907 9.748
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