NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
645084 | 6lek | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 1.457 0.390 -2.022 3 HB2 MET 1 2HB MET 1 3.429 1.194 -0.076 4 HB3 MET 1 3HB MET 1 4.198 0.336 -1.405 5 HG2 MET 1 2HG MET 1 2.628 1.958 -2.819 6 HG3 MET 1 3HG MET 1 2.818 2.947 -1.373 7 HE1 MET 1 1HE MET 1 5.288 4.043 -0.628 8 HE2 MET 1 2HE MET 1 5.471 2.326 -0.267 9 HE3 MET 1 3HE MET 1 6.739 3.183 -1.146 10 H ALA 2 H ALA 2 3.640 -0.715 -3.117 11 HA ALA 2 HA ALA 2 3.633 -3.546 -2.331 12 HB1 ALA 2 1HB ALA 2 2.711 -2.382 -4.878 13 HB2 ALA 2 2HB ALA 2 3.741 -3.808 -5.006 14 HB3 ALA 2 3HB ALA 2 2.244 -3.882 -4.076 15 H HIS 3 H HIS 3 5.570 -4.550 -2.473 16 HA HIS 3 HA HIS 3 7.699 -3.538 -4.125 17 HB2 HIS 3 2HB HIS 3 7.537 -2.266 -1.763 18 HB3 HIS 3 3HB HIS 3 8.489 -3.662 -1.265 19 HD1 HIS 3 HD1 HIS 3 8.660 -1.356 -4.299 20 HD2 HIS 3 HD2 HIS 3 11.090 -2.972 -1.342 21 HE1 HIS 3 HE1 HIS 3 10.973 -0.499 -4.788 22 H GLU 4 H GLU 4 9.091 -5.126 -4.663 23 HA GLU 4 HA GLU 4 8.503 -7.797 -4.020 24 HB2 GLU 4 2HB GLU 4 9.582 -7.321 -6.098 25 HB3 GLU 4 3HB GLU 4 10.924 -6.523 -5.290 26 HG2 GLU 4 2HG GLU 4 10.400 -9.379 -4.667 27 HG3 GLU 4 3HG GLU 4 11.130 -8.973 -6.219 28 H GLU 5 H GLU 5 8.932 -8.911 -2.243 29 HA GLU 5 HA GLU 5 11.468 -8.642 -0.888 30 HB2 GLU 5 2HB GLU 5 9.193 -7.204 0.056 31 HB3 GLU 5 3HB GLU 5 9.538 -8.493 1.200 32 HG2 GLU 5 2HG GLU 5 11.815 -6.852 0.252 33 HG3 GLU 5 3HG GLU 5 10.670 -6.109 1.368 34 H ASP 6 H ASP 6 11.471 -10.150 1.110 35 HA ASP 6 HA ASP 6 10.899 -12.754 0.234 36 HB2 ASP 6 2HB ASP 6 12.296 -11.573 2.372 37 HB3 ASP 6 3HB ASP 6 11.097 -12.631 3.110 38 H GLY 7 H GLY 7 9.694 -14.288 1.933 39 HA2 GLY 7 2HA GLY 7 7.615 -15.042 2.559 40 HA3 GLY 7 3HA GLY 7 7.454 -13.471 3.329 41 H VAL 8 H VAL 8 5.142 -14.107 2.695 42 HA VAL 8 HA VAL 8 4.578 -13.246 -0.064 43 HB VAL 8 HB VAL 8 2.269 -14.222 0.417 44 HG11 VAL 8 1HG1 VAL 8 3.457 -15.487 -1.076 45 HG12 VAL 8 2HG1 VAL 8 4.795 -15.753 0.043 46 HG13 VAL 8 3HG1 VAL 8 3.285 -16.644 0.244 47 HG21 VAL 8 1HG2 VAL 8 1.824 -15.347 2.314 48 HG22 VAL 8 2HG2 VAL 8 3.447 -16.031 2.413 49 HG23 VAL 8 3HG2 VAL 8 3.146 -14.387 2.977 50 H CYS 9 H CYS 9 4.707 -11.016 0.366 51 HA CYS 9 HA CYS 9 2.262 -9.857 1.291 52 HB2 CYS 9 2HB CYS 9 3.371 -8.409 3.032 53 HB3 CYS 9 3HB CYS 9 3.204 -10.104 3.472 54 HG CYS 9 HG CYS 9 5.699 -8.848 4.292 55 H ASN 10 H ASN 10 1.899 -7.970 0.276 56 HA ASN 10 HA ASN 10 2.209 -6.445 -1.421 57 HB2 ASN 10 2HB ASN 10 3.949 -4.731 -0.785 58 HB3 ASN 10 3HB ASN 10 2.773 -5.097 0.473 59 HD21 ASN 10 1HD2 ASN 10 3.428 -6.592 2.154 60 HD22 ASN 10 2HD2 ASN 10 5.088 -6.651 2.628 61 H SER 11 H SER 11 3.411 -8.940 -2.053 62 HA SER 11 HA SER 11 6.055 -8.783 -2.935 63 HB2 SER 11 2HB SER 11 5.009 -10.928 -2.855 64 HB3 SER 11 3HB SER 11 3.713 -10.411 -3.934 65 HG SER 11 HG SER 11 5.907 -11.601 -4.631 66 H ASN 12 H ASN 12 3.421 -8.994 -5.287 67 HA ASN 12 HA ASN 12 4.335 -6.565 -6.612 68 HB2 ASN 12 2HB ASN 12 5.555 -8.733 -7.459 69 HB3 ASN 12 3HB ASN 12 4.040 -9.014 -8.312 70 HD21 ASN 12 1HD2 ASN 12 4.081 -8.338 -10.316 71 HD22 ASN 12 2HD2 ASN 12 4.936 -6.961 -10.917 72 H ALA 13 H ALA 13 1.925 -7.299 -5.206 73 HA ALA 13 HA ALA 13 -0.003 -6.243 -6.930 74 HB1 ALA 13 1HB ALA 13 -1.314 -8.649 -6.749 75 HB2 ALA 13 2HB ALA 13 -0.520 -8.012 -8.189 76 HB3 ALA 13 3HB ALA 13 0.340 -9.129 -7.129 77 HA PRO 14 HA PRO 14 -2.240 -7.907 -2.993 78 HB2 PRO 14 2HB PRO 14 -0.852 -9.580 -1.366 79 HB3 PRO 14 3HB PRO 14 -1.836 -10.152 -2.719 80 HG2 PRO 14 2HG PRO 14 1.125 -9.736 -2.573 81 HG3 PRO 14 3HG PRO 14 0.218 -11.080 -3.290 82 HD2 PRO 14 2HD PRO 14 1.263 -9.071 -4.775 83 HD3 PRO 14 3HD PRO 14 -0.238 -9.907 -5.221 84 H CYS 15 H CYS 15 -1.069 -5.586 -3.052 85 HA CYS 15 HA CYS 15 0.991 -4.957 -1.313 86 HB2 CYS 15 2HB CYS 15 -0.147 -2.691 -1.155 87 HB3 CYS 15 3HB CYS 15 0.214 -3.261 -2.779 88 HG CYS 15 HG CYS 15 -2.395 -4.025 -3.361 89 H TYR 16 H TYR 16 1.040 -5.868 0.672 90 HA TYR 16 HA TYR 16 -0.951 -4.951 2.592 91 HB2 TYR 16 2HB TYR 16 -0.461 -7.817 1.878 92 HB3 TYR 16 3HB TYR 16 -0.868 -7.403 3.540 93 HD1 TYR 16 HD1 TYR 16 -3.011 -5.984 3.885 94 HD2 TYR 16 HD2 TYR 16 -2.157 -8.142 0.319 95 HE1 TYR 16 HE1 TYR 16 -5.398 -5.942 3.295 96 HE2 TYR 16 HE2 TYR 16 -4.541 -8.105 -0.281 97 HH TYR 16 HH TYR 16 -6.639 -6.208 0.629 98 H HIS 17 H HIS 17 0.386 -3.820 3.868 99 HA HIS 17 HA HIS 17 3.009 -4.869 4.561 100 HB2 HIS 17 2HB HIS 17 2.682 -2.461 3.981 101 HB3 HIS 17 3HB HIS 17 1.706 -2.284 5.437 102 HD1 HIS 17 HD1 HIS 17 3.037 -2.802 7.743 103 HD2 HIS 17 HD2 HIS 17 5.352 -2.107 4.363 104 HE1 HIS 17 HE1 HIS 17 5.338 -2.264 8.603 105 H CYS 18 H CYS 18 3.686 -4.631 6.914 106 HA CYS 18 HA CYS 18 1.499 -5.435 8.712 107 HB2 CYS 18 2HB CYS 18 3.570 -7.098 7.794 108 HB3 CYS 18 3HB CYS 18 4.002 -6.676 9.447 109 HG CYS 18 HG CYS 18 1.775 -7.723 10.629 110 H ASP 19 H ASP 19 1.377 -4.214 10.469 111 HA ASP 19 HA ASP 19 2.540 -1.979 11.148 112 HB2 ASP 19 2HB ASP 19 2.069 -4.245 13.093 113 HB3 ASP 19 3HB ASP 19 2.387 -2.583 13.580 114 H ALA 20 H ALA 20 3.900 -3.788 13.610 115 HA ALA 20 HA ALA 20 6.501 -2.788 13.173 116 HB1 ALA 20 1HB ALA 20 5.718 -5.080 14.967 117 HB2 ALA 20 2HB ALA 20 7.150 -4.059 15.102 118 HB3 ALA 20 3HB ALA 20 5.550 -3.377 15.392 119 H ASN 21 H ASN 21 5.022 -5.935 12.550 120 HA ASN 21 HA ASN 21 7.328 -7.366 11.891 121 HB2 ASN 21 2HB ASN 21 5.219 -8.255 10.206 122 HB3 ASN 21 3HB ASN 21 5.794 -8.982 11.703 123 HD21 ASN 21 1HD2 ASN 21 4.147 -5.908 11.112 124 HD22 ASN 21 2HD2 ASN 21 2.785 -6.245 12.121 125 H GLY 22 H GLY 22 5.125 -5.519 9.791 126 HA2 GLY 22 2HA GLY 22 6.477 -6.019 7.376 127 HA3 GLY 22 3HA GLY 22 5.410 -4.657 7.683 128 H GLU 23 H GLU 23 6.745 -3.276 9.626 129 HA GLU 23 HA GLU 23 8.726 -1.925 8.108 130 HB2 GLU 23 2HB GLU 23 7.244 -0.851 9.812 131 HB3 GLU 23 3HB GLU 23 8.166 -1.667 11.066 132 HG2 GLU 23 2HG GLU 23 10.051 -0.377 10.705 133 HG3 GLU 23 3HG GLU 23 9.550 0.078 9.078 134 H ASN 24 H ASN 24 8.840 -4.646 10.140 135 HA ASN 24 HA ASN 24 11.677 -4.316 10.749 136 HB2 ASN 24 2HB ASN 24 10.530 -5.138 12.623 137 HB3 ASN 24 3HB ASN 24 9.556 -6.242 11.658 138 HD21 ASN 24 1HD2 ASN 24 10.160 -8.287 11.580 139 HD22 ASN 24 2HD2 ASN 24 11.704 -8.903 12.051 140 H CYS 25 H CYS 25 9.538 -6.111 8.674 141 HA CYS 25 HA CYS 25 11.768 -7.759 7.715 142 HB2 CYS 25 2HB CYS 25 9.046 -8.318 8.179 143 HB3 CYS 25 3HB CYS 25 9.254 -8.344 6.432 144 HG CYS 25 HG CYS 25 9.459 -10.960 7.306 145 H SER 26 H SER 26 9.133 -5.715 6.471 146 HA SER 26 HA SER 26 10.884 -4.787 4.341 147 HB2 SER 26 2HB SER 26 9.252 -5.279 2.571 148 HB3 SER 26 3HB SER 26 9.783 -6.762 3.364 149 HG SER 26 HG SER 26 7.848 -6.680 4.602 150 H CYS 27 H CYS 27 10.782 -2.658 4.576 151 HA CYS 27 HA CYS 27 8.252 -1.418 5.380 152 HB2 CYS 27 2HB CYS 27 9.711 0.624 5.724 153 HB3 CYS 27 3HB CYS 27 10.053 -0.741 6.780 154 HG CYS 27 HG CYS 27 12.535 -0.976 6.170 155 H ASN 28 H ASN 28 7.095 -1.316 3.489 156 HA ASN 28 HA ASN 28 7.715 0.822 1.716 157 HB2 ASN 28 2HB ASN 28 7.572 -0.879 -0.322 158 HB3 ASN 28 3HB ASN 28 9.112 -0.465 0.426 159 HD21 ASN 28 1HD2 ASN 28 10.344 -2.070 1.098 160 HD22 ASN 28 2HD2 ASN 28 9.834 -3.702 1.345 161 H CYS 29 H CYS 29 5.558 -0.085 3.428 162 HA CYS 29 HA CYS 29 3.364 0.536 1.794 163 HB2 CYS 29 2HB CYS 29 2.327 -1.905 2.372 164 HB3 CYS 29 3HB CYS 29 3.056 -1.487 0.827 165 HG CYS 29 HG CYS 29 3.859 -3.914 2.754 166 H GLU 30 H GLU 30 1.217 -0.187 3.029 167 HA GLU 30 HA GLU 30 1.511 -0.363 5.888 168 HB2 GLU 30 2HB GLU 30 0.176 1.797 6.217 169 HB3 GLU 30 3HB GLU 30 1.886 1.953 5.838 170 HG2 GLU 30 2HG GLU 30 1.322 2.387 3.496 171 HG3 GLU 30 3HG GLU 30 -0.391 2.255 3.893 172 H LEU 31 H LEU 31 0.111 -2.025 6.044 173 HA LEU 31 HA LEU 31 -2.686 -1.486 5.778 174 HB2 LEU 31 2HB LEU 31 -1.290 -2.784 3.612 175 HB3 LEU 31 3HB LEU 31 -2.509 -3.852 4.304 176 HG LEU 31 HG LEU 31 -3.042 -1.072 3.258 177 HD11 LEU 31 1HD1 LEU 31 -2.498 -2.384 1.379 178 HD12 LEU 31 2HD1 LEU 31 -4.260 -2.373 1.458 179 HD13 LEU 31 3HD1 LEU 31 -3.361 -3.787 2.010 180 HD21 LEU 31 1HD2 LEU 31 -4.595 -1.739 5.000 181 HD22 LEU 31 2HD2 LEU 31 -4.895 -3.269 4.176 182 HD23 LEU 31 3HD2 LEU 31 -5.396 -1.751 3.429 183 H PHE 32 H PHE 32 -3.924 -3.701 6.127 184 HA PHE 32 HA PHE 32 -2.781 -4.823 8.547 185 HB2 PHE 32 2HB PHE 32 -5.070 -6.050 8.546 186 HB3 PHE 32 3HB PHE 32 -5.037 -4.317 8.856 187 HD1 PHE 32 HD1 PHE 32 -5.956 -2.754 7.286 188 HD2 PHE 32 HD2 PHE 32 -5.907 -6.923 6.434 189 HE1 PHE 32 HE1 PHE 32 -7.536 -2.390 5.435 190 HE2 PHE 32 HE2 PHE 32 -7.486 -6.567 4.581 191 HZ PHE 32 HZ PHE 32 -8.302 -4.298 4.079 192 H ASP 33 H ASP 33 -1.373 -6.432 8.294 193 HA ASP 33 HA ASP 33 -2.037 -8.566 6.372 194 HB2 ASP 33 2HB ASP 33 -0.065 -7.504 5.567 195 HB3 ASP 33 3HB ASP 33 0.647 -7.447 7.177 196 H CYS 34 H CYS 34 -1.995 -10.649 7.068 197 HA CYS 34 HA CYS 34 -0.671 -11.621 9.332 198 HB2 CYS 34 2HB CYS 34 -2.221 -10.205 10.595 199 HB3 CYS 34 3HB CYS 34 -3.590 -10.978 9.803 200 H GLU 35 H GLU 35 -0.415 -13.694 8.860 201 HA GLU 35 HA GLU 35 -2.506 -15.502 8.394 202 HB2 GLU 35 2HB GLU 35 -1.956 -16.056 5.993 203 HB3 GLU 35 3HB GLU 35 -2.820 -14.545 6.242 204 HG2 GLU 35 2HG GLU 35 -0.707 -13.318 6.042 205 HG3 GLU 35 3HG GLU 35 0.134 -14.838 5.748 206 H ALA 36 H ALA 36 -1.802 -17.620 8.428 207 HA ALA 36 HA ALA 36 0.837 -18.054 9.414 208 HB1 ALA 36 1HB ALA 36 0.204 -20.331 9.679 209 HB2 ALA 36 2HB ALA 36 -1.203 -19.349 10.088 210 HB3 ALA 36 3HB ALA 36 -1.119 -20.163 8.525 211 H LYS 37 H LYS 37 2.561 -19.123 8.473 212 HA LYS 37 HA LYS 37 2.440 -20.220 5.836 213 HB2 LYS 37 2HB LYS 37 2.660 -17.504 5.839 214 HB3 LYS 37 3HB LYS 37 4.354 -17.978 5.851 215 HG2 LYS 37 2HG LYS 37 2.288 -18.837 3.836 216 HG3 LYS 37 3HG LYS 37 3.560 -17.640 3.584 217 HD2 LYS 37 2HD LYS 37 5.005 -19.772 4.447 218 HD3 LYS 37 3HD LYS 37 3.695 -20.577 3.581 219 HE2 LYS 37 2HE LYS 37 5.039 -18.263 2.281 220 HE3 LYS 37 3HE LYS 37 5.904 -19.797 2.353 221 HZ1 LYS 37 1HZ LYS 37 4.703 -19.745 0.328 222 HZ2 LYS 37 2HZ LYS 37 3.271 -19.274 1.094 223 HZ3 LYS 37 3HZ LYS 37 3.889 -20.829 1.341 224 H LYS 38 H LYS 38 3.606 -21.980 6.274 225 HA LYS 38 HA LYS 38 6.403 -21.768 6.774 226 HB2 LYS 38 2HB LYS 38 6.407 -23.058 8.904 227 HB3 LYS 38 3HB LYS 38 5.729 -21.443 9.063 228 HG2 LYS 38 2HG LYS 38 3.961 -22.362 10.026 229 HG3 LYS 38 3HG LYS 38 3.558 -23.091 8.469 230 HD2 LYS 38 2HD LYS 38 5.299 -24.903 9.216 231 HD3 LYS 38 3HD LYS 38 4.940 -24.287 10.830 232 HE2 LYS 38 2HE LYS 38 3.006 -25.462 8.840 233 HE3 LYS 38 3HE LYS 38 3.490 -26.142 10.392 234 HZ1 LYS 38 1HZ LYS 38 1.508 -25.186 10.939 235 HZ2 LYS 38 2HZ LYS 38 1.662 -23.922 9.826 236 HZ3 LYS 38 3HZ LYS 38 2.542 -23.888 11.271 237 HA PRO 39 HA PRO 39 5.409 -25.483 4.384 238 HB2 PRO 39 2HB PRO 39 7.831 -25.598 3.163 239 HB3 PRO 39 3HB PRO 39 6.529 -24.535 2.616 240 HG2 PRO 39 2HG PRO 39 8.917 -23.893 4.304 241 HG3 PRO 39 3HG PRO 39 8.213 -22.969 2.964 242 HD2 PRO 39 2HD PRO 39 7.766 -22.342 5.560 243 HD3 PRO 39 3HD PRO 39 6.556 -22.070 4.290 244 H ASP 40 H ASP 40 8.754 -25.082 5.570 245 HA ASP 40 HA ASP 40 8.676 -26.984 7.587 246 HB2 ASP 40 2HB ASP 40 8.467 -28.240 5.111 247 HB3 ASP 40 3HB ASP 40 10.165 -28.423 5.543 248 H GLY 41 H GLY 41 9.901 -24.480 6.954 249 HA2 GLY 41 2HA GLY 41 12.658 -25.180 7.626 250 HA3 GLY 41 3HA GLY 41 12.413 -24.185 6.198 251 H SER 42 H SER 42 10.285 -22.600 7.127 252 HA SER 42 HA SER 42 11.408 -21.231 9.469 253 HB2 SER 42 2HB SER 42 10.561 -19.800 6.940 254 HB3 SER 42 3HB SER 42 11.251 -19.068 8.389 255 HG SER 42 HG SER 42 12.491 -20.621 6.409 256 H TYR 43 H TYR 43 9.800 -19.237 9.917 257 HA TYR 43 HA TYR 43 7.045 -20.250 9.714 258 HB2 TYR 43 2HB TYR 43 8.609 -19.559 12.148 259 HB3 TYR 43 3HB TYR 43 6.914 -19.088 12.119 260 HD1 TYR 43 HD1 TYR 43 9.106 -22.051 11.529 261 HD2 TYR 43 HD2 TYR 43 5.302 -20.617 12.787 262 HE1 TYR 43 HE1 TYR 43 8.467 -24.335 12.181 263 HE2 TYR 43 HE2 TYR 43 4.653 -22.896 13.443 264 HH TYR 43 HH TYR 43 6.429 -25.191 14.124 265 H ALA 44 H ALA 44 5.492 -18.748 9.339 266 HA ALA 44 HA ALA 44 6.083 -15.917 9.643 267 HB1 ALA 44 1HB ALA 44 4.990 -15.983 7.094 268 HB2 ALA 44 2HB ALA 44 6.665 -15.625 7.515 269 HB3 ALA 44 3HB ALA 44 6.197 -17.270 7.088 270 H HIS 45 H HIS 45 4.403 -16.172 11.234 271 HA HIS 45 HA HIS 45 1.730 -16.043 10.026 272 HB2 HIS 45 2HB HIS 45 0.795 -17.329 11.902 273 HB3 HIS 45 3HB HIS 45 1.966 -18.280 10.993 274 HD1 HIS 45 HD1 HIS 45 1.004 -17.938 14.281 275 HD2 HIS 45 HD2 HIS 45 4.714 -17.683 12.427 276 HE1 HIS 45 HE1 HIS 45 2.693 -18.362 16.095 277 HA PRO 46 HA PRO 46 2.867 -12.753 13.307 278 HB2 PRO 46 2HB PRO 46 3.472 -10.692 11.646 279 HB3 PRO 46 3HB PRO 46 4.685 -11.827 12.250 280 HG2 PRO 46 2HG PRO 46 3.288 -11.780 9.603 281 HG3 PRO 46 3HG PRO 46 4.999 -12.079 9.960 282 HD2 PRO 46 2HD PRO 46 3.247 -14.079 9.447 283 HD3 PRO 46 3HD PRO 46 4.621 -14.274 10.553 284 H CYS 47 H CYS 47 1.976 -10.291 13.040 285 HA CYS 47 HA CYS 47 -0.380 -9.998 11.468 286 HB2 CYS 47 2HB CYS 47 -0.943 -11.616 13.471 287 HB3 CYS 47 3HB CYS 47 -1.008 -10.116 14.390 288 H ARG 48 H ARG 48 -1.446 -7.943 11.826 289 HA ARG 48 HA ARG 48 0.303 -5.821 12.192 290 HB2 ARG 48 2HB ARG 48 -1.819 -4.436 12.434 291 HB3 ARG 48 3HB ARG 48 -1.673 -5.401 10.971 292 HG2 ARG 48 2HG ARG 48 -3.249 -6.970 11.715 293 HG3 ARG 48 3HG ARG 48 -3.161 -6.390 13.379 294 HD2 ARG 48 2HD ARG 48 -4.454 -4.535 12.943 295 HD3 ARG 48 3HD ARG 48 -4.035 -4.517 11.230 296 HE ARG 48 HE ARG 48 -5.480 -6.838 11.680 297 HH11 ARG 48 1HH1 ARG 48 -5.986 -3.401 11.894 298 HH12 ARG 48 2HH1 ARG 48 -7.682 -3.497 11.551 299 HH21 ARG 48 1HH2 ARG 48 -7.712 -6.979 11.227 300 HH22 ARG 48 2HH2 ARG 48 -8.662 -5.533 11.173 301 H ARG 49 H ARG 49 -0.559 -7.884 14.526 302 HA ARG 49 HA ARG 49 0.516 -6.520 16.651 303 HB2 ARG 49 2HB ARG 49 -1.627 -5.994 17.951 304 HB3 ARG 49 3HB ARG 49 -1.163 -4.878 16.673 305 HG2 ARG 49 2HG ARG 49 -2.788 -6.736 15.406 306 HG3 ARG 49 3HG ARG 49 -3.562 -6.456 16.968 307 HD2 ARG 49 2HD ARG 49 -2.600 -4.124 15.375 308 HD3 ARG 49 3HD ARG 49 -4.100 -4.925 14.907 309 HE ARG 49 HE ARG 49 -3.929 -4.205 17.698 310 HH11 ARG 49 1HH1 ARG 49 -4.902 -3.223 14.503 311 HH12 ARG 49 2HH1 ARG 49 -6.046 -2.052 15.070 312 HH21 ARG 49 1HH2 ARG 49 -5.432 -2.667 18.457 313 HH22 ARG 49 2HH2 ARG 49 -6.347 -1.736 17.319 314 H CYS 50 H CYS 50 1.160 -8.812 16.563 315 HA CYS 50 HA CYS 50 -0.329 -10.331 18.512 316 HB2 CYS 50 2HB CYS 50 -1.021 -12.102 17.230 317 HB3 CYS 50 3HB CYS 50 -1.162 -10.816 16.036 318 HG CYS 50 HG CYS 50 -0.100 -13.075 14.785 319 H ASP 51 H ASP 51 0.849 -12.698 18.509 320 HA ASP 51 HA ASP 51 3.728 -12.084 18.654 321 HB2 ASP 51 2HB ASP 51 3.149 -12.458 20.867 322 HB3 ASP 51 3HB ASP 51 1.919 -13.648 20.452 323 H ALA 52 H ALA 52 4.210 -12.796 16.570 324 HA ALA 52 HA ALA 52 4.146 -15.717 16.256 325 HB1 ALA 52 1HB ALA 52 2.550 -14.019 14.777 326 HB2 ALA 52 2HB ALA 52 3.925 -14.327 13.716 327 HB3 ALA 52 3HB ALA 52 2.984 -15.675 14.354 328 H ASN 53 H ASN 53 5.372 -15.661 13.675 329 HA ASN 53 HA ASN 53 7.889 -14.245 14.026 330 HB2 ASN 53 2HB ASN 53 7.554 -17.169 14.377 331 HB3 ASN 53 3HB ASN 53 8.927 -16.658 13.400 332 HD21 ASN 53 1HD2 ASN 53 7.336 -16.070 16.501 333 HD22 ASN 53 2HD2 ASN 53 8.786 -15.738 17.381 334 H ASN 54 H ASN 54 8.697 -13.589 12.129 335 HA ASN 54 HA ASN 54 7.315 -14.377 9.701 336 HB2 ASN 54 2HB ASN 54 9.367 -12.247 10.306 337 HB3 ASN 54 3HB ASN 54 8.787 -12.575 8.676 338 HD21 ASN 54 1HD2 ASN 54 7.298 -12.260 11.885 339 HD22 ASN 54 2HD2 ASN 54 6.085 -11.131 11.396 340 H ILE 55 H ILE 55 8.683 -14.683 7.693 341 HA ILE 55 HA ILE 55 10.821 -16.597 8.319 342 HB ILE 55 HB ILE 55 9.131 -16.268 5.841 343 HG12 ILE 55 2HG1 ILE 55 9.360 -18.525 7.844 344 HG13 ILE 55 3HG1 ILE 55 8.034 -17.371 7.754 345 HG21 ILE 55 1HG2 ILE 55 11.675 -17.700 6.293 346 HG22 ILE 55 2HG2 ILE 55 10.424 -18.573 5.409 347 HG23 ILE 55 3HG2 ILE 55 11.003 -17.017 4.813 348 HD11 ILE 55 1HD1 ILE 55 7.308 -19.372 6.722 349 HD12 ILE 55 2HD1 ILE 55 7.601 -18.205 5.432 350 HD13 ILE 55 3HD1 ILE 55 8.776 -19.481 5.751 351 H CYS 56 H CYS 56 12.513 -15.114 8.583 352 HA CYS 56 HA CYS 56 13.267 -13.589 6.183 353 HB2 CYS 56 2HB CYS 56 13.139 -12.822 8.873 354 HB3 CYS 56 3HB CYS 56 14.856 -12.995 8.531 355 HG CYS 56 HG CYS 56 13.196 -11.300 6.177 356 H LYS 57 H LYS 57 14.452 -14.962 4.966 357 HA LYS 57 HA LYS 57 15.922 -16.776 4.610 358 HB2 LYS 57 2HB LYS 57 16.948 -14.661 3.885 359 HB3 LYS 57 3HB LYS 57 17.638 -14.445 5.488 360 HG2 LYS 57 2HG LYS 57 18.329 -17.013 4.328 361 HG3 LYS 57 3HG LYS 57 18.852 -15.654 3.330 362 HD2 LYS 57 2HD LYS 57 20.455 -15.081 4.781 363 HD3 LYS 57 3HD LYS 57 19.369 -15.233 6.164 364 HE2 LYS 57 2HE LYS 57 19.669 -17.801 5.712 365 HE3 LYS 57 3HE LYS 57 21.143 -17.272 4.901 366 HZ1 LYS 57 1HZ LYS 57 22.080 -16.589 6.843 367 HZ2 LYS 57 2HZ LYS 57 21.122 -17.846 7.443 368 HZ3 LYS 57 3HZ LYS 57 20.601 -16.243 7.588 369 H CYS 58 H CYS 58 15.480 -18.291 6.253 370 HA CYS 58 HA CYS 58 15.868 -19.542 8.122 371 HB2 CYS 58 2HB CYS 58 18.714 -18.610 7.699 372 HB3 CYS 58 3HB CYS 58 18.199 -20.066 8.543 373 HG CYS 58 HG CYS 58 17.982 -19.460 5.185 374 H SER 59 H SER 59 15.217 -16.707 8.539 375 HA SER 59 HA SER 59 16.167 -16.514 11.301 376 HB2 SER 59 2HB SER 59 17.289 -14.927 9.383 377 HB3 SER 59 3HB SER 59 15.954 -13.912 9.931 378 HG SER 59 HG SER 59 17.706 -13.491 11.234 379 H CYS 60 H CYS 60 14.316 -16.765 12.380 380 HA CYS 60 HA CYS 60 11.822 -15.713 11.365 381 HB2 CYS 60 2HB CYS 60 10.838 -16.752 13.386 382 HB3 CYS 60 3HB CYS 60 11.806 -17.885 12.451 383 HG CYS 60 HG CYS 60 13.454 -16.319 14.925 384 H THR 61 H THR 61 10.844 -13.879 11.961 385 HA THR 61 HA THR 61 12.263 -12.055 13.698 386 HB THR 61 HB THR 61 10.738 -10.370 12.979 387 HG1 THR 61 HG1 THR 61 8.723 -10.897 12.656 388 HG21 THR 61 1HG2 THR 61 12.348 -10.917 11.283 389 HG22 THR 61 2HG2 THR 61 10.800 -10.623 10.491 390 HG23 THR 61 3HG2 THR 61 11.371 -12.275 10.726 391 H ALA 62 H ALA 62 11.170 -10.868 15.425 392 HA ALA 62 HA ALA 62 9.278 -12.597 16.878 393 HB1 ALA 62 1HB ALA 62 10.143 -11.426 18.926 394 HB2 ALA 62 2HB ALA 62 11.314 -12.451 18.095 395 HB3 ALA 62 3HB ALA 62 11.380 -10.700 17.899 396 H ILE 63 H ILE 63 7.267 -11.854 16.729 397 HA ILE 63 HA ILE 63 6.768 -9.003 16.411 398 HB ILE 63 HB ILE 63 4.336 -10.464 16.637 399 HG12 ILE 63 2HG1 ILE 63 5.772 -12.451 16.167 400 HG13 ILE 63 3HG1 ILE 63 4.577 -12.141 14.913 401 HG21 ILE 63 1HG2 ILE 63 3.818 -9.281 14.793 402 HG22 ILE 63 2HG2 ILE 63 5.315 -8.427 15.162 403 HG23 ILE 63 3HG2 ILE 63 5.310 -9.720 13.963 404 HD11 ILE 63 1HD1 ILE 63 6.194 -12.159 13.412 405 HD12 ILE 63 2HD1 ILE 63 6.917 -10.749 14.189 406 HD13 ILE 63 3HD1 ILE 63 7.399 -12.372 14.682 407 HA PRO 64 HA PRO 64 5.069 -8.119 20.378 408 HB2 PRO 64 2HB PRO 64 2.456 -7.470 20.032 409 HB3 PRO 64 3HB PRO 64 3.782 -6.428 19.504 410 HG2 PRO 64 2HG PRO 64 2.124 -8.340 17.905 411 HG3 PRO 64 3HG PRO 64 2.653 -6.699 17.489 412 HD2 PRO 64 2HD PRO 64 3.886 -8.913 16.535 413 HD3 PRO 64 3HD PRO 64 4.757 -7.401 16.862 414 H CYS 65 H CYS 65 1.969 -8.573 20.660 415 HA CYS 65 HA CYS 65 2.150 -11.422 21.387 416 HB2 CYS 65 2HB CYS 65 1.773 -10.894 23.524 417 HB3 CYS 65 3HB CYS 65 1.756 -9.186 23.102 418 HG CYS 65 HG CYS 65 -1.039 -11.123 22.809 419 H ASN 66 H ASN 66 0.586 -12.691 20.614 420 HA ASN 66 HA ASN 66 -1.426 -11.576 18.900 421 HB2 ASN 66 2HB ASN 66 -2.142 -14.082 18.832 422 HB3 ASN 66 3HB ASN 66 -0.616 -13.604 18.093 423 HD21 ASN 66 1HD2 ASN 66 0.932 -14.994 18.480 424 HD22 ASN 66 2HD2 ASN 66 1.164 -15.891 19.938 425 H GLU 67 H GLU 67 -1.310 -12.905 22.136 426 HA GLU 67 HA GLU 67 -3.969 -11.870 22.655 427 HB2 GLU 67 2HB GLU 67 -4.824 -13.966 23.575 428 HB3 GLU 67 3HB GLU 67 -4.432 -14.145 21.871 429 HG2 GLU 67 2HG GLU 67 -2.147 -15.013 22.794 430 HG3 GLU 67 3HG GLU 67 -3.084 -15.302 24.259 431 H ASP 68 H ASP 68 -1.293 -13.805 23.974 432 HA ASP 68 HA ASP 68 -1.102 -11.993 26.233 433 HB2 ASP 68 2HB ASP 68 -1.880 -14.887 26.498 434 HB3 ASP 68 3HB ASP 68 -1.034 -14.049 27.797 435 H HIS 69 H HIS 69 0.847 -11.665 24.842 436 HA HIS 69 HA HIS 69 2.983 -13.470 25.738 437 HB2 HIS 69 2HB HIS 69 2.512 -12.471 22.931 438 HB3 HIS 69 3HB HIS 69 4.078 -13.071 23.470 439 HD1 HIS 69 HD1 HIS 69 0.912 -14.173 22.079 440 HD2 HIS 69 HD2 HIS 69 3.947 -15.872 24.351 441 HE1 HIS 69 HE1 HIS 69 0.596 -16.659 21.871 442 HA PRO 70 HA PRO 70 4.727 -9.622 27.065 443 HB2 PRO 70 2HB PRO 70 7.161 -10.591 27.776 444 HB3 PRO 70 3HB PRO 70 5.708 -10.836 28.751 445 HG2 PRO 70 2HG PRO 70 7.029 -12.701 26.818 446 HG3 PRO 70 3HG PRO 70 6.352 -13.046 28.420 447 HD2 PRO 70 2HD PRO 70 5.023 -13.601 26.127 448 HD3 PRO 70 3HD PRO 70 4.190 -13.139 27.625 449 H CYS 71 H CYS 71 4.767 -8.675 24.939 450 HA CYS 71 HA CYS 71 7.478 -8.552 23.849 451 HB2 CYS 71 2HB CYS 71 4.994 -9.043 22.195 452 HB3 CYS 71 3HB CYS 71 6.567 -8.622 21.528 453 HG CYS 71 HG CYS 71 7.627 -11.017 22.996 454 H HIS 72 H HIS 72 7.892 -6.637 22.587 455 HA HIS 72 HA HIS 72 6.076 -4.430 23.295 456 HB2 HIS 72 2HB HIS 72 8.058 -2.961 23.135 457 HB3 HIS 72 3HB HIS 72 8.259 -4.218 24.352 458 HD1 HIS 72 HD1 HIS 72 8.766 -5.916 21.306 459 HD2 HIS 72 HD2 HIS 72 11.053 -3.259 23.536 460 HE1 HIS 72 HE1 HIS 72 11.136 -6.260 20.538 461 H HIS 73 H HIS 73 4.962 -5.294 21.267 462 HA HIS 73 HA HIS 73 5.834 -3.643 19.029 463 HB2 HIS 73 2HB HIS 73 5.754 -6.608 19.025 464 HB3 HIS 73 3HB HIS 73 5.083 -5.805 17.609 465 HD1 HIS 73 HD1 HIS 73 7.740 -7.529 17.654 466 HD2 HIS 73 HD2 HIS 73 7.510 -3.381 17.738 467 HE1 HIS 73 HE1 HIS 73 9.949 -6.715 16.769 468 H CYS 74 H CYS 74 4.088 -3.884 17.194 469 HA CYS 74 HA CYS 74 1.858 -2.643 17.621 470 HB2 CYS 74 2HB CYS 74 0.756 -4.774 16.224 471 HB3 CYS 74 3HB CYS 74 1.569 -3.380 15.523 472 HG CYS 74 HG CYS 74 3.820 -5.593 16.437 473 H HIS 75 H HIS 75 0.964 -2.662 19.642 474 HA HIS 75 HA HIS 75 0.272 -4.977 21.093 475 HB2 HIS 75 2HB HIS 75 -0.232 -3.506 22.711 476 HB3 HIS 75 3HB HIS 75 0.311 -2.254 21.597 477 HD1 HIS 75 HD1 HIS 75 -1.410 -0.617 20.787 478 HD2 HIS 75 HD2 HIS 75 -3.098 -3.882 22.724 479 HE1 HIS 75 HE1 HIS 75 -3.849 -0.059 21.044 480 H GLU 76 H GLU 76 -1.859 -5.771 21.611 481 HA GLU 76 HA GLU 76 -3.837 -5.310 19.479 482 HB2 GLU 76 2HB GLU 76 -2.474 -7.550 19.480 483 HB3 GLU 76 3HB GLU 76 -3.569 -7.992 20.782 484 HG2 GLU 76 2HG GLU 76 -5.011 -6.888 18.544 485 HG3 GLU 76 3HG GLU 76 -4.008 -8.251 18.052 486 H GLU 77 H GLU 77 -5.161 -3.986 20.669 487 HA GLU 77 HA GLU 77 -6.828 -3.432 22.115 488 HB2 GLU 77 2HB GLU 77 -6.969 -6.356 21.920 489 HB3 GLU 77 3HB GLU 77 -7.656 -5.709 23.404 490 HG2 GLU 77 2HG GLU 77 -8.408 -4.558 20.750 491 HG3 GLU 77 3HG GLU 77 -9.174 -6.028 21.348 492 H ASP 78 H ASP 78 -5.647 -6.208 23.964 493 HA ASP 78 HA ASP 78 -4.627 -4.338 25.999 494 HB2 ASP 78 2HB ASP 78 -5.354 -6.142 27.675 495 HB3 ASP 78 3HB ASP 78 -6.618 -5.144 26.962 496 H ASP 79 H ASP 79 -3.016 -5.424 24.019 497 HA ASP 79 HA ASP 79 -1.736 -7.750 24.212 498 HB2 ASP 79 2HB ASP 79 -1.023 -5.187 23.310 499 HB3 ASP 79 3HB ASP 79 0.307 -5.712 24.339 500 H GLY 80 H GLY 80 -0.870 -8.976 25.748 501 HA2 GLY 80 2HA GLY 80 0.870 -9.055 27.517 502 HA3 GLY 80 3HA GLY 80 0.084 -7.643 28.208 503 H ASP 81 H ASP 81 0.461 -9.666 29.881 504 HA ASP 81 HA ASP 81 -2.091 -11.126 29.994 505 HB2 ASP 81 2HB ASP 81 0.481 -12.087 30.238 506 HB3 ASP 81 3HB ASP 81 -0.028 -11.919 31.916 507 H THR 82 H THR 82 -2.190 -11.774 32.643 508 HA THR 82 HA THR 82 -3.524 -9.727 33.843 509 HB THR 82 HB THR 82 -1.820 -11.614 35.463 510 HG1 THR 82 HG1 THR 82 -3.790 -12.198 33.667 511 HG21 THR 82 1HG2 THR 82 -3.473 -9.661 36.305 512 HG22 THR 82 2HG2 THR 82 -3.207 -11.160 37.197 513 HG23 THR 82 3HG2 THR 82 -4.622 -10.990 36.159 514 H HIS 83 H HIS 83 -0.243 -10.624 34.918 515 HA HIS 83 HA HIS 83 0.342 -8.458 36.456 516 HB2 HIS 83 2HB HIS 83 2.234 -9.890 34.580 517 HB3 HIS 83 3HB HIS 83 2.729 -8.847 35.909 518 HD1 HIS 83 HD1 HIS 83 0.080 -10.387 37.453 519 HD2 HIS 83 HD2 HIS 83 3.760 -11.831 36.177 520 HE1 HIS 83 HE1 HIS 83 0.489 -12.470 38.801 521 H CYS 84 H CYS 84 0.883 -8.698 32.948 522 HA CYS 84 HA CYS 84 2.024 -6.231 32.490 523 HB2 CYS 84 2HB CYS 84 0.239 -7.978 30.824 524 HB3 CYS 84 3HB CYS 84 0.765 -6.412 30.217 525 HG CYS 84 HG CYS 84 2.422 -8.259 29.038 526 H HIS 85 H HIS 85 -1.399 -7.048 32.806 527 HA HIS 85 HA HIS 85 -2.407 -4.494 32.134 528 HB2 HIS 85 2HB HIS 85 -3.583 -6.757 33.752 529 HB3 HIS 85 3HB HIS 85 -4.476 -5.296 33.343 530 HD1 HIS 85 HD1 HIS 85 -2.192 -7.121 30.956 531 HD2 HIS 85 HD2 HIS 85 -6.244 -6.441 31.575 532 HE1 HIS 85 HE1 HIS 85 -3.346 -8.023 28.912 533 H CYS 86 H CYS 86 -1.282 -5.916 35.136 534 HA CYS 86 HA CYS 86 -2.250 -3.810 36.811 535 HB2 CYS 86 2HB CYS 86 -0.321 -6.084 37.213 536 HB3 CYS 86 3HB CYS 86 -0.563 -4.863 38.456 537 HG CYS 86 HG CYS 86 -2.816 -7.143 37.292 538 H SER 87 H SER 87 0.694 -4.439 35.039 539 HA SER 87 HA SER 87 2.195 -2.349 36.326 540 HB2 SER 87 2HB SER 87 2.774 -3.877 33.777 541 HB3 SER 87 3HB SER 87 3.913 -2.839 34.634 542 HG SER 87 HG SER 87 2.686 -4.879 36.084 543 H CYS 88 H CYS 88 0.032 -2.598 33.653 544 HA CYS 88 HA CYS 88 0.911 -0.177 32.360 545 HB2 CYS 88 2HB CYS 88 -1.363 -2.093 31.936 546 HB3 CYS 88 3HB CYS 88 -1.343 -0.539 31.112 547 HG CYS 88 HG CYS 88 1.550 -1.516 30.442 548 H GLU 89 H GLU 89 -1.692 -1.149 34.529 549 HA GLU 89 HA GLU 89 -3.136 1.277 34.440 550 HB2 GLU 89 2HB GLU 89 -3.602 -1.161 35.526 551 HB3 GLU 89 3HB GLU 89 -3.181 -0.250 36.969 552 HG2 GLU 89 2HG GLU 89 -4.898 1.455 36.218 553 HG3 GLU 89 3HG GLU 89 -5.430 0.249 35.048 554 H HIS 90 H HIS 90 -0.378 0.205 36.306 555 HA HIS 90 HA HIS 90 -0.440 2.594 37.973 556 HB2 HIS 90 2HB HIS 90 1.476 0.253 37.941 557 HB3 HIS 90 3HB HIS 90 1.513 1.575 39.103 558 HD1 HIS 90 HD1 HIS 90 -1.391 -0.577 37.901 559 HD2 HIS 90 HD2 HIS 90 0.555 0.529 41.401 560 HE1 HIS 90 HE1 HIS 90 -2.700 -1.644 39.764 561 H SER 91 H SER 91 1.235 1.286 35.222 562 HA SER 91 HA SER 91 3.396 3.183 35.309 563 HB2 SER 91 2HB SER 91 3.783 1.008 34.298 564 HB3 SER 91 3HB SER 91 2.487 1.284 33.134 565 HG SER 91 HG SER 91 3.715 2.972 32.251 566 H HIS 92 H HIS 92 0.316 2.880 33.642 567 HA HIS 92 HA HIS 92 0.734 5.093 31.887 568 HB2 HIS 92 2HB HIS 92 -0.930 3.128 31.641 569 HB3 HIS 92 3HB HIS 92 -1.973 4.068 32.705 570 HD1 HIS 92 HD1 HIS 92 -3.676 5.215 31.345 571 HD2 HIS 92 HD2 HIS 92 0.016 5.148 29.441 572 HE1 HIS 92 HE1 HIS 92 -4.006 6.477 29.195 573 H ASP 93 H ASP 93 -0.537 4.697 35.112 574 HA ASP 93 HA ASP 93 -1.780 7.261 35.276 575 HB2 ASP 93 2HB ASP 93 -2.429 5.373 36.731 576 HB3 ASP 93 3HB ASP 93 -0.846 5.436 37.501 577 H HIS 94 H HIS 94 1.439 6.058 35.753 578 HA HIS 94 HA HIS 94 2.292 8.563 37.002 579 HB2 HIS 94 2HB HIS 94 3.361 5.812 36.869 580 HB3 HIS 94 3HB HIS 94 4.567 7.094 36.809 581 HD1 HIS 94 HD1 HIS 94 1.415 7.269 38.872 582 HD2 HIS 94 HD2 HIS 94 5.512 6.797 39.377 583 HE1 HIS 94 HE1 HIS 94 1.811 7.437 41.350 584 H HIS 95 H HIS 95 2.333 6.893 33.989 585 HA HIS 95 HA HIS 95 3.982 9.046 32.846 586 HB2 HIS 95 2HB HIS 95 4.043 6.138 32.014 587 HB3 HIS 95 3HB HIS 95 4.967 7.443 31.276 588 HD1 HIS 95 HD1 HIS 95 4.810 5.323 34.366 589 HD2 HIS 95 HD2 HIS 95 7.266 8.200 32.646 590 HE1 HIS 95 HE1 HIS 95 6.927 5.298 35.723 591 H ASP 96 H ASP 96 1.209 9.136 32.998 592 HA ASP 96 HA ASP 96 -0.291 8.115 30.943 593 HB2 ASP 96 2HB ASP 96 -1.562 10.354 31.080 594 HB3 ASP 96 3HB ASP 96 -1.457 9.376 32.542 595 H ASP 97 H ASP 97 2.278 10.388 30.746 596 HA ASP 97 HA ASP 97 1.564 11.607 28.277 597 HB2 ASP 97 2HB ASP 97 4.407 11.313 29.193 598 HB3 ASP 97 3HB ASP 97 3.645 12.662 28.355 599 H ASP 98 H ASP 98 2.189 8.481 28.880 600 HA ASP 98 HA ASP 98 3.592 8.040 26.329 601 HB2 ASP 98 2HB ASP 98 3.346 6.283 28.776 602 HB3 ASP 98 3HB ASP 98 4.036 5.738 27.250 603 H THR 99 H THR 99 0.975 8.690 26.075 604 HA THR 99 HA THR 99 -0.627 6.274 25.964 605 HB THR 99 HB THR 99 -1.890 8.450 24.605 606 HG1 THR 99 HG1 THR 99 -1.092 9.167 27.230 607 HG21 THR 99 1HG2 THR 99 -2.679 7.833 27.375 608 HG22 THR 99 2HG2 THR 99 -2.615 6.450 26.283 609 HG23 THR 99 3HG2 THR 99 -3.638 7.833 25.896 610 H HIS 100 H HIS 100 1.797 6.656 24.249 611 HA HIS 100 HA HIS 100 0.842 5.435 21.914 612 HB2 HIS 100 2HB HIS 100 0.174 7.995 21.715 613 HB3 HIS 100 3HB HIS 100 1.849 8.151 21.194 614 HD1 HIS 100 HD1 HIS 100 0.789 4.947 20.076 615 HD2 HIS 100 HD2 HIS 100 0.182 8.841 18.762 616 HE1 HIS 100 HE1 HIS 100 0.079 4.742 17.672 617 H GLY 101 H GLY 101 2.625 5.481 20.133 618 HA2 GLY 101 2HA GLY 101 5.089 4.771 21.466 619 HA3 GLY 101 3HA GLY 101 4.736 4.589 19.754 620 H GLU 102 H GLU 102 6.029 6.664 22.217 621 HA GLU 102 HA GLU 102 7.342 8.249 20.155 622 HB2 GLU 102 2HB GLU 102 5.156 9.227 21.778 623 HB3 GLU 102 3HB GLU 102 6.621 10.150 22.082 624 HG2 GLU 102 2HG GLU 102 5.441 9.654 19.359 625 HG3 GLU 102 3HG GLU 102 5.201 11.116 20.315 626 H CYS 103 H CYS 103 9.094 9.599 21.041 627 HA CYS 103 HA CYS 103 10.010 9.485 23.667 628 HB2 CYS 103 2HB CYS 103 11.999 7.862 23.118 629 HB3 CYS 103 3HB CYS 103 10.453 7.215 23.657 630 H THR 104 H THR 104 11.460 11.062 23.867 631 HA THR 104 HA THR 104 13.530 11.525 21.940 632 HB THR 104 HB THR 104 12.588 14.059 21.840 633 HG1 THR 104 HG1 THR 104 10.308 12.347 21.744 634 HG21 THR 104 1HG2 THR 104 13.211 12.172 20.039 635 HG22 THR 104 2HG2 THR 104 12.459 13.705 19.599 636 HG23 THR 104 3HG2 THR 104 11.470 12.256 19.775 637 H LYS 105 H LYS 105 12.790 11.254 24.926 638 HA LYS 105 HA LYS 105 14.176 13.654 25.907 639 HB2 LYS 105 2HB LYS 105 13.345 12.852 28.165 640 HB3 LYS 105 3HB LYS 105 12.110 13.398 27.038 641 HG2 LYS 105 2HG LYS 105 11.465 11.162 26.539 642 HG3 LYS 105 3HG LYS 105 12.846 10.507 27.421 643 HD2 LYS 105 2HD LYS 105 11.947 11.179 29.508 644 HD3 LYS 105 3HD LYS 105 10.720 12.186 28.735 645 HE2 LYS 105 2HE LYS 105 9.329 10.456 28.450 646 HE3 LYS 105 3HE LYS 105 10.622 9.397 27.890 647 HZ1 LYS 105 1HZ LYS 105 10.727 8.437 29.871 648 HZ2 LYS 105 2HZ LYS 105 9.336 9.289 30.318 649 HZ3 LYS 105 3HZ LYS 105 10.865 9.921 30.671 650 H LYS 106 H LYS 106 15.360 13.002 28.126 651 HA LYS 106 HA LYS 106 17.623 11.499 27.345 652 HB2 LYS 106 2HB LYS 106 17.458 13.388 29.083 653 HB3 LYS 106 3HB LYS 106 16.915 12.142 30.199 654 HG2 LYS 106 2HG LYS 106 19.189 11.050 29.098 655 HG3 LYS 106 3HG LYS 106 19.588 12.763 29.250 656 HD2 LYS 106 2HD LYS 106 19.275 12.751 31.564 657 HD3 LYS 106 3HD LYS 106 18.336 11.257 31.522 658 HE2 LYS 106 2HE LYS 106 20.927 10.767 30.425 659 HE3 LYS 106 3HE LYS 106 21.106 11.573 31.982 660 HZ1 LYS 106 1HZ LYS 106 19.147 9.454 31.955 661 HZ2 LYS 106 2HZ LYS 106 20.368 9.786 33.078 662 HZ3 LYS 106 3HZ LYS 106 20.730 8.933 31.663 663 H ALA 107 H ALA 107 14.690 10.332 27.916 664 HA ALA 107 HA ALA 107 15.619 7.952 29.375 665 HB1 ALA 107 1HB ALA 107 12.755 8.106 28.891 666 HB2 ALA 107 2HB ALA 107 13.639 7.862 30.398 667 HB3 ALA 107 3HB ALA 107 13.375 9.495 29.785 668 HA PRO 108 HA PRO 108 15.050 5.218 25.985 669 HB2 PRO 108 2HB PRO 108 13.417 3.252 26.901 670 HB3 PRO 108 3HB PRO 108 15.091 3.437 27.436 671 HG2 PRO 108 2HG PRO 108 12.564 4.308 28.784 672 HG3 PRO 108 3HG PRO 108 13.997 3.534 29.486 673 HD2 PRO 108 2HD PRO 108 13.543 6.197 29.669 674 HD3 PRO 108 3HD PRO 108 15.177 5.512 29.573 675 H CYS 109 H CYS 109 13.244 3.849 24.773 676 HA CYS 109 HA CYS 109 11.304 5.784 23.877 677 HB2 CYS 109 2HB CYS 109 12.683 3.939 22.535 678 HB3 CYS 109 3HB CYS 109 11.256 2.972 22.893 679 H TRP 110 H TRP 110 9.069 5.594 23.948 680 HA TRP 110 HA TRP 110 8.009 3.520 25.751 681 HB2 TRP 110 2HB TRP 110 6.666 5.071 26.899 682 HB3 TRP 110 3HB TRP 110 8.222 5.882 26.744 683 HD1 TRP 110 HD1 TRP 110 4.972 5.756 24.600 684 HE1 TRP 110 HE1 TRP 110 4.461 8.153 23.814 685 HE3 TRP 110 HE3 TRP 110 8.945 8.171 26.727 686 HZ2 TRP 110 HZ2 TRP 110 5.593 10.727 24.063 687 HZ3 TRP 110 HZ3 TRP 110 9.157 10.601 26.405 688 HH2 TRP 110 HH2 TRP 110 7.515 11.851 25.100 689 H ARG 111 H ARG 111 5.724 3.044 25.459 690 HA ARG 111 HA ARG 111 4.545 3.901 22.932 691 HB2 ARG 111 2HB ARG 111 4.146 1.648 22.152 692 HB3 ARG 111 3HB ARG 111 5.870 1.866 22.422 693 HG2 ARG 111 2HG ARG 111 5.825 0.577 24.397 694 HG3 ARG 111 3HG ARG 111 4.062 0.604 24.459 695 HD2 ARG 111 2HD ARG 111 4.218 -0.577 22.154 696 HD3 ARG 111 3HD ARG 111 5.872 -0.941 22.644 697 HE ARG 111 HE ARG 111 5.061 -2.440 24.192 698 HH11 ARG 111 1HH1 ARG 111 2.447 -0.532 22.909 699 HH12 ARG 111 2HH1 ARG 111 1.209 -1.517 23.615 700 HH21 ARG 111 1HH2 ARG 111 3.440 -3.744 25.128 701 HH22 ARG 111 2HH2 ARG 111 1.775 -3.343 24.878 702 H CYS 112 H CYS 112 2.275 3.373 22.750 703 HA CYS 112 HA CYS 112 0.886 3.733 25.194 704 HB2 CYS 112 2HB CYS 112 -0.426 4.624 23.584 705 HB3 CYS 112 3HB CYS 112 0.206 3.552 22.341 706 HG CYS 112 HG CYS 112 -1.852 2.031 22.222 707 H GLU 113 H GLU 113 0.679 2.194 26.678 708 HA GLU 113 HA GLU 113 -0.246 -0.453 25.824 709 HB2 GLU 113 2HB GLU 113 1.273 -1.398 27.675 710 HB3 GLU 113 3HB GLU 113 2.016 -0.949 26.147 711 HG2 GLU 113 2HG GLU 113 3.102 0.854 27.041 712 HG3 GLU 113 3HG GLU 113 1.920 1.065 28.331 713 H TYR 114 H TYR 114 -2.165 -0.695 26.748 714 HA TYR 114 HA TYR 114 -2.527 -0.741 29.538 715 HB2 TYR 114 2HB TYR 114 -4.025 1.185 29.821 716 HB3 TYR 114 3HB TYR 114 -2.408 1.698 29.350 717 HD1 TYR 114 HD1 TYR 114 -5.822 1.081 28.021 718 HD2 TYR 114 HD2 TYR 114 -2.084 3.030 27.444 719 HE1 TYR 114 HE1 TYR 114 -6.779 2.347 26.143 720 HE2 TYR 114 HE2 TYR 114 -3.032 4.303 25.565 721 HH TYR 114 HH TYR 114 -5.965 4.879 25.026 722 H ASN 115 H ASN 115 -4.823 -1.103 30.141 723 HA ASN 115 HA ASN 115 -6.509 -1.953 27.900 724 HB2 ASN 115 2HB ASN 115 -5.511 -4.014 28.468 725 HB3 ASN 115 3HB ASN 115 -5.584 -3.670 30.194 726 HD21 ASN 115 1HD2 ASN 115 -8.072 -3.377 27.700 727 HD22 ASN 115 2HD2 ASN 115 -9.179 -4.485 28.428 728 H ALA 116 H ALA 116 -8.318 -0.820 28.118 729 HA ALA 116 HA ALA 116 -9.843 -0.973 30.558 730 HB1 ALA 116 1HB ALA 116 -10.072 1.519 30.748 731 HB2 ALA 116 2HB ALA 116 -8.495 0.875 31.204 732 HB3 ALA 116 3HB ALA 116 -8.708 1.660 29.639 733 H ASP 117 H ASP 117 -11.919 0.403 30.296 734 HA ASP 117 HA ASP 117 -12.909 -0.073 27.576 735 HB2 ASP 117 2HB ASP 117 -14.205 -1.229 29.213 736 HB3 ASP 117 3HB ASP 117 -14.316 0.203 30.232 737 H LEU 118 H LEU 118 -12.665 1.690 26.346 738 HA LEU 118 HA LEU 118 -14.216 3.981 26.724 739 HB2 LEU 118 2HB LEU 118 -11.616 4.027 28.016 740 HB3 LEU 118 3HB LEU 118 -11.804 5.334 26.849 741 HG LEU 118 HG LEU 118 -14.047 4.980 28.728 742 HD11 LEU 118 1HD1 LEU 118 -12.336 6.527 30.221 743 HD12 LEU 118 2HD1 LEU 118 -11.304 5.208 29.670 744 HD13 LEU 118 3HD1 LEU 118 -12.784 4.855 30.560 745 HD21 LEU 118 1HD2 LEU 118 -14.318 6.870 27.486 746 HD22 LEU 118 2HD2 LEU 118 -12.584 7.158 27.337 747 HD23 LEU 118 3HD2 LEU 118 -13.417 7.552 28.841 748 H LYS 119 H LYS 119 -13.387 5.833 25.210 749 HA LYS 119 HA LYS 119 -12.852 4.579 22.655 750 HB2 LYS 119 2HB LYS 119 -13.233 6.888 21.761 751 HB3 LYS 119 3HB LYS 119 -14.583 6.236 22.682 752 HG2 LYS 119 2HG LYS 119 -14.518 7.930 24.108 753 HG3 LYS 119 3HG LYS 119 -12.792 7.698 24.398 754 HD2 LYS 119 2HD LYS 119 -13.379 8.879 21.794 755 HD3 LYS 119 3HD LYS 119 -13.936 9.863 23.149 756 HE2 LYS 119 2HE LYS 119 -11.487 9.192 24.036 757 HE3 LYS 119 3HE LYS 119 -11.194 9.173 22.298 758 HZ1 LYS 119 1HZ LYS 119 -11.220 11.377 23.926 759 HZ2 LYS 119 2HZ LYS 119 -12.685 11.468 23.086 760 HZ3 LYS 119 3HZ LYS 119 -11.227 11.378 22.234 761 H HIS 120 H HIS 120 -10.808 4.162 22.132 762 HA HIS 120 HA HIS 120 -8.845 6.319 22.350 763 HB2 HIS 120 2HB HIS 120 -7.162 4.927 23.333 764 HB3 HIS 120 3HB HIS 120 -8.603 4.793 24.337 765 HD1 HIS 120 HD1 HIS 120 -10.144 2.575 23.627 766 HD2 HIS 120 HD2 HIS 120 -6.085 2.526 22.739 767 HE1 HIS 120 HE1 HIS 120 -9.558 0.152 23.289 768 H ASP 121 H ASP 121 -6.629 4.997 21.429 769 HA ASP 121 HA ASP 121 -7.440 3.762 18.895 770 HB2 ASP 121 2HB ASP 121 -6.641 6.399 19.041 771 HB3 ASP 121 3HB ASP 121 -5.150 5.562 18.615 772 H VAL 122 H VAL 122 -5.445 2.899 17.710 773 HA VAL 122 HA VAL 122 -4.147 1.036 19.368 774 HB VAL 122 HB VAL 122 -2.898 0.355 17.441 775 HG11 VAL 122 1HG1 VAL 122 -4.669 -0.454 16.328 776 HG12 VAL 122 2HG1 VAL 122 -5.621 0.415 17.533 777 HG13 VAL 122 3HG1 VAL 122 -5.298 1.152 15.964 778 HG21 VAL 122 1HG2 VAL 122 -3.134 3.144 16.725 779 HG22 VAL 122 2HG2 VAL 122 -1.999 1.926 16.143 780 HG23 VAL 122 3HG2 VAL 122 -3.580 2.095 15.380 781 H CYS 123 H CYS 123 -1.813 0.778 19.658 782 HA CYS 123 HA CYS 123 -0.639 3.205 20.649 783 HB2 CYS 123 2HB CYS 123 1.010 1.842 21.629 784 HB3 CYS 123 3HB CYS 123 -0.451 0.863 21.681 785 HG CYS 123 HG CYS 123 2.327 -0.188 20.755 786 H GLY 124 H GLY 124 1.936 3.256 20.201 787 HA2 GLY 124 2HA GLY 124 2.166 4.181 17.523 788 HA3 GLY 124 3HA GLY 124 3.476 4.043 18.686 789 H CYS 125 H CYS 125 3.318 1.269 19.172 790 HA CYS 125 HA CYS 125 4.897 0.288 17.060 791 HB2 CYS 125 2HB CYS 125 3.485 -1.156 19.310 792 HB3 CYS 125 3HB CYS 125 4.624 -1.927 18.213 793 HG CYS 125 HG CYS 125 6.524 -1.533 19.902 794 H GLU 126 H GLU 126 1.542 0.588 17.352 795 HA GLU 126 HA GLU 126 1.009 -1.562 15.434 796 HB2 GLU 126 2HB GLU 126 -0.367 -0.968 17.633 797 HB3 GLU 126 3HB GLU 126 -1.173 0.141 16.533 798 HG2 GLU 126 2HG GLU 126 -0.834 -2.712 15.746 799 HG3 GLU 126 3HG GLU 126 -2.093 -2.267 16.897 800 H CYS 127 H CYS 127 2.154 1.341 15.092 801 HA CYS 127 HA CYS 127 0.258 2.394 13.151 802 HB2 CYS 127 2HB CYS 127 1.398 4.401 13.277 803 HB3 CYS 127 3HB CYS 127 1.694 3.746 14.884 804 HG CYS 127 HG CYS 127 4.166 2.549 13.423 805 H SER 128 H SER 128 1.214 3.220 11.045 806 HA SER 128 HA SER 128 2.784 1.045 9.859 807 HB2 SER 128 2HB SER 128 0.533 2.621 8.975 808 HB3 SER 128 3HB SER 128 1.861 2.757 7.823 809 HG SER 128 HG SER 128 1.887 0.527 7.632 810 H LYS 129 H LYS 129 3.856 2.133 7.665 811 HA LYS 129 HA LYS 129 6.117 3.522 8.668 812 HB2 LYS 129 2HB LYS 129 5.947 1.943 6.634 813 HB3 LYS 129 3HB LYS 129 5.386 3.359 5.754 814 HG2 LYS 129 2HG LYS 129 7.672 4.235 7.045 815 HG3 LYS 129 3HG LYS 129 8.068 2.597 6.522 816 HD2 LYS 129 2HD LYS 129 6.927 4.749 4.741 817 HD3 LYS 129 3HD LYS 129 8.637 4.322 4.838 818 HE2 LYS 129 2HE LYS 129 8.192 2.893 3.176 819 HE3 LYS 129 3HE LYS 129 7.444 1.892 4.420 820 HZ1 LYS 129 1HZ LYS 129 6.164 2.643 2.246 821 HZ2 LYS 129 2HZ LYS 129 5.790 3.974 3.222 822 HZ3 LYS 129 3HZ LYS 129 5.371 2.413 3.723 823 H LEU 130 H LEU 130 4.501 5.217 9.608 824 HA LEU 130 HA LEU 130 3.420 7.199 7.923 825 HB2 LEU 130 2HB LEU 130 4.139 7.077 10.822 826 HB3 LEU 130 3HB LEU 130 3.647 8.608 10.099 827 HG LEU 130 HG LEU 130 1.741 7.647 11.158 828 HD11 LEU 130 1HD1 LEU 130 1.488 7.101 8.206 829 HD12 LEU 130 2HD1 LEU 130 1.423 8.706 8.934 830 HD13 LEU 130 3HD1 LEU 130 0.194 7.507 9.334 831 HD21 LEU 130 1HD2 LEU 130 0.900 5.422 10.596 832 HD22 LEU 130 2HD2 LEU 130 2.521 5.340 11.288 833 HD23 LEU 130 3HD2 LEU 130 2.294 5.156 9.548 834 HA PRO 131 HA PRO 131 6.783 9.798 6.834 835 HB2 PRO 131 2HB PRO 131 5.782 12.293 7.210 836 HB3 PRO 131 3HB PRO 131 5.262 11.239 5.890 837 HG2 PRO 131 2HG PRO 131 3.938 11.773 8.521 838 HG3 PRO 131 3HG PRO 131 3.213 11.655 6.908 839 HD2 PRO 131 2HD PRO 131 3.134 9.620 8.692 840 HD3 PRO 131 3HD PRO 131 3.211 9.350 6.939 841 H CYS 132 H CYS 132 5.557 9.874 10.025 842 HA CYS 132 HA CYS 132 8.052 11.121 10.957 843 HB2 CYS 132 2HB CYS 132 6.042 12.665 11.123 844 HB3 CYS 132 3HB CYS 132 5.385 11.541 12.308 845 H ASN 133 H ASN 133 7.932 8.453 10.727 846 HA ASN 133 HA ASN 133 7.801 7.582 13.524 847 HB2 ASN 133 2HB ASN 133 6.461 5.762 13.133 848 HB3 ASN 133 3HB ASN 133 5.804 6.857 11.920 849 HD21 ASN 133 1HD2 ASN 133 6.921 3.810 12.453 850 HD22 ASN 133 2HD2 ASN 133 7.301 3.356 10.830 851 H ASP 134 H ASP 134 9.698 6.792 14.120 852 HA ASP 134 HA ASP 134 11.432 5.588 12.062 853 HB2 ASP 134 2HB ASP 134 12.166 7.153 14.542 854 HB3 ASP 134 3HB ASP 134 13.333 6.260 13.569 855 H GLU 135 H GLU 135 12.460 5.451 15.318 856 HA GLU 135 HA GLU 135 11.257 3.321 16.471 857 HB2 GLU 135 2HB GLU 135 12.786 1.399 15.752 858 HB3 GLU 135 3HB GLU 135 11.512 1.875 14.638 859 HG2 GLU 135 2HG GLU 135 12.960 2.616 13.078 860 HG3 GLU 135 3HG GLU 135 14.116 3.203 14.271 861 H HIS 136 H HIS 136 12.007 3.770 18.433 862 HA HIS 136 HA HIS 136 14.920 4.044 18.790 863 HB2 HIS 136 2HB HIS 136 12.689 5.664 19.734 864 HB3 HIS 136 3HB HIS 136 13.740 5.147 21.049 865 HD1 HIS 136 HD1 HIS 136 14.741 6.194 17.538 866 HD2 HIS 136 HD2 HIS 136 15.238 7.369 21.492 867 HE1 HIS 136 HE1 HIS 136 16.376 8.103 17.472 868 HA PRO 137 HA PRO 137 15.005 0.723 21.653 869 HB2 PRO 137 2HB PRO 137 16.541 1.663 23.685 870 HB3 PRO 137 3HB PRO 137 17.197 1.247 22.097 871 HG2 PRO 137 2HG PRO 137 16.468 3.932 23.202 872 HG3 PRO 137 3HG PRO 137 17.892 3.460 22.257 873 HD2 PRO 137 2HD PRO 137 15.764 4.719 21.154 874 HD3 PRO 137 3HD PRO 137 16.750 3.547 20.257 875 H CYS 138 H CYS 138 12.971 0.375 22.454 876 HA CYS 138 HA CYS 138 11.822 2.102 24.455 877 HB2 CYS 138 2HB CYS 138 10.431 0.979 22.739 878 HB3 CYS 138 3HB CYS 138 10.857 -0.578 23.438 879 HG CYS 138 HG CYS 138 8.236 0.068 24.182 880 H TYR 139 H TYR 139 11.171 1.397 26.571 881 HA TYR 139 HA TYR 139 12.891 -0.735 27.661 882 HB2 TYR 139 2HB TYR 139 13.845 1.130 28.628 883 HB3 TYR 139 3HB TYR 139 12.331 2.027 28.649 884 HD1 TYR 139 HD1 TYR 139 13.065 -1.358 30.016 885 HD2 TYR 139 HD2 TYR 139 12.088 2.694 30.872 886 HE1 TYR 139 HE1 TYR 139 12.761 -1.938 32.387 887 HE2 TYR 139 HE2 TYR 139 11.783 2.126 33.245 888 HH TYR 139 HH TYR 139 12.936 -0.456 34.681 889 H ARG 140 H ARG 140 11.538 -2.407 27.943 890 HA ARG 140 HA ARG 140 9.217 -1.982 29.682 891 HB2 ARG 140 2HB ARG 140 8.601 -2.133 27.192 892 HB3 ARG 140 3HB ARG 140 9.062 -3.825 27.308 893 HG2 ARG 140 2HG ARG 140 7.176 -4.388 28.363 894 HG3 ARG 140 3HG ARG 140 7.221 -2.963 29.404 895 HD2 ARG 140 2HD ARG 140 6.161 -1.622 27.796 896 HD3 ARG 140 3HD ARG 140 6.475 -2.779 26.503 897 HE ARG 140 HE ARG 140 4.258 -2.774 28.301 898 HH11 ARG 140 1HH1 ARG 140 6.344 -4.828 26.417 899 HH12 ARG 140 2HH1 ARG 140 5.174 -6.097 26.265 900 HH21 ARG 140 1HH2 ARG 140 2.709 -4.438 28.108 901 HH22 ARG 140 2HH2 ARG 140 3.107 -5.874 27.226 902 H LYS 141 H LYS 141 8.976 -5.009 28.496 903 HA LYS 141 HA LYS 141 10.178 -6.163 30.870 904 HB2 LYS 141 2HB LYS 141 7.912 -6.834 30.023 905 HB3 LYS 141 3HB LYS 141 8.705 -7.564 28.634 906 HG2 LYS 141 2HG LYS 141 8.954 -9.433 29.786 907 HG3 LYS 141 3HG LYS 141 9.987 -8.575 30.932 908 HD2 LYS 141 2HD LYS 141 8.315 -8.321 32.459 909 HD3 LYS 141 3HD LYS 141 7.054 -8.243 31.226 910 HE2 LYS 141 2HE LYS 141 6.635 -10.290 32.205 911 HE3 LYS 141 3HE LYS 141 7.654 -10.745 30.841 912 HZ1 LYS 141 1HZ LYS 141 9.243 -10.139 33.104 913 HZ2 LYS 141 2HZ LYS 141 9.151 -11.579 32.223 914 HZ3 LYS 141 3HZ LYS 141 8.088 -11.306 33.509 915 H GLU 142 H GLU 142 11.692 -5.100 28.408 916 HA GLU 142 HA GLU 142 13.940 -6.656 28.548 917 HB2 GLU 142 2HB GLU 142 11.887 -7.954 27.000 918 HB3 GLU 142 3HB GLU 142 13.264 -7.580 25.974 919 HG2 GLU 142 2HG GLU 142 13.999 -8.738 28.550 920 HG3 GLU 142 3HG GLU 142 13.009 -9.794 27.544 921 H GLY 143 H GLY 143 15.481 -5.360 27.803 922 HA2 GLY 143 2HA GLY 143 15.031 -2.983 26.446 923 HA3 GLY 143 3HA GLY 143 16.587 -3.796 26.539 924 H GLY 144 H GLY 144 14.570 -2.481 24.412 925 HA2 GLY 144 2HA GLY 144 15.723 -3.881 22.193 926 HA3 GLY 144 3HA GLY 144 14.018 -4.255 22.396 927 H VAL 145 H VAL 145 14.485 -3.199 20.083 928 HA VAL 145 HA VAL 145 13.932 -0.315 20.331 929 HB VAL 145 HB VAL 145 14.730 -0.075 18.021 930 HG11 VAL 145 1HG1 VAL 145 16.654 0.403 19.020 931 HG12 VAL 145 2HG1 VAL 145 16.321 -0.759 20.305 932 HG13 VAL 145 3HG1 VAL 145 17.134 -1.283 18.830 933 HG21 VAL 145 1HG2 VAL 145 14.244 -2.196 17.071 934 HG22 VAL 145 2HG2 VAL 145 15.998 -2.012 17.026 935 HG23 VAL 145 3HG2 VAL 145 15.249 -3.031 18.255 936 H VAL 146 H VAL 146 12.076 0.485 19.530 937 HA VAL 146 HA VAL 146 10.428 -1.230 17.804 938 HB VAL 146 HB VAL 146 8.427 -0.754 19.044 939 HG11 VAL 146 1HG1 VAL 146 9.566 -2.689 19.826 940 HG12 VAL 146 2HG1 VAL 146 10.690 -1.720 20.780 941 HG13 VAL 146 3HG1 VAL 146 8.992 -1.819 21.248 942 HG21 VAL 146 1HG2 VAL 146 8.617 1.397 19.875 943 HG22 VAL 146 2HG2 VAL 146 8.760 0.422 21.338 944 HG23 VAL 146 3HG2 VAL 146 10.204 1.096 20.582 945 H SER 147 H SER 147 8.829 -0.088 16.563 946 HA SER 147 HA SER 147 9.759 2.219 15.333 947 HB2 SER 147 2HB SER 147 7.517 0.490 15.067 948 HB3 SER 147 3HB SER 147 6.910 2.145 15.090 949 HG SER 147 HG SER 147 8.235 2.634 13.365 950 H CYS 148 H CYS 148 9.395 4.378 15.569 951 HA CYS 148 HA CYS 148 7.782 5.211 17.890 952 HB2 CYS 148 2HB CYS 148 9.976 5.584 18.620 953 HB3 CYS 148 3HB CYS 148 10.520 6.093 17.027 954 HG CYS 148 HG CYS 148 10.659 8.338 18.598 955 H ASP 149 H ASP 149 6.043 6.237 17.167 956 HA ASP 149 HA ASP 149 6.204 7.786 14.688 957 HB2 ASP 149 2HB ASP 149 3.892 7.554 14.486 958 HB3 ASP 149 3HB ASP 149 4.371 6.025 15.218 959 H CYS 150 H CYS 150 4.592 9.763 14.770 960 HA CYS 150 HA CYS 150 5.617 11.492 16.877 961 HB2 CYS 150 2HB CYS 150 4.786 11.836 14.134 962 HB3 CYS 150 3HB CYS 150 3.938 12.974 15.176 963 H LYS 151 H LYS 151 4.452 12.233 18.538 964 HA LYS 151 HA LYS 151 1.704 12.740 18.546 965 HB2 LYS 151 2HB LYS 151 1.365 10.359 18.385 966 HB3 LYS 151 3HB LYS 151 2.493 10.062 19.701 967 HG2 LYS 151 2HG LYS 151 0.000 9.912 20.212 968 HG3 LYS 151 3HG LYS 151 1.008 10.852 21.315 969 HD2 LYS 151 2HD LYS 151 -1.087 12.011 20.796 970 HD3 LYS 151 3HD LYS 151 0.314 12.913 20.214 971 HE2 LYS 151 2HE LYS 151 -0.061 11.933 17.964 972 HE3 LYS 151 3HE LYS 151 -1.528 11.172 18.578 973 HZ1 LYS 151 1HZ LYS 151 -2.634 13.131 18.632 974 HZ2 LYS 151 2HZ LYS 151 -1.552 13.515 17.389 975 HZ3 LYS 151 3HZ LYS 151 -1.255 14.052 18.966 976 H THR 152 H THR 152 3.144 10.965 21.201 977 HA THR 152 HA THR 152 2.912 13.291 22.904 978 HB THR 152 HB THR 152 3.898 11.615 24.632 979 HG1 THR 152 HG1 THR 152 2.939 9.713 22.764 980 HG21 THR 152 1HG2 THR 152 1.771 11.235 25.279 981 HG22 THR 152 2HG2 THR 152 1.315 10.541 23.723 982 HG23 THR 152 3HG2 THR 152 1.362 12.292 23.928 983 H ILE 153 H ILE 153 5.007 13.014 20.713 984 HA ILE 153 HA ILE 153 7.559 12.641 21.584 985 HB ILE 153 HB ILE 153 6.859 13.367 19.280 986 HG12 ILE 153 2HG1 ILE 153 9.131 15.021 20.381 987 HG13 ILE 153 3HG1 ILE 153 9.243 13.278 20.162 988 HG21 ILE 153 1HG2 ILE 153 6.511 15.615 18.743 989 HG22 ILE 153 2HG2 ILE 153 5.583 15.375 20.222 990 HG23 ILE 153 3HG2 ILE 153 7.152 16.177 20.286 991 HD11 ILE 153 1HD1 ILE 153 9.296 13.432 17.886 992 HD12 ILE 153 2HD1 ILE 153 8.409 14.957 17.857 993 HD13 ILE 153 3HD1 ILE 153 10.107 14.933 18.332 994 H THR 154 H THR 154 9.235 14.162 22.262 995 HA THR 154 HA THR 154 8.434 15.615 24.581 996 HB THR 154 HB THR 154 10.822 16.231 24.777 997 HG1 THR 154 HG1 THR 154 10.822 15.756 22.166 998 HG21 THR 154 1HG2 THR 154 10.317 13.326 24.119 999 HG22 THR 154 2HG2 THR 154 10.079 14.099 25.686 1000 HG23 THR 154 3HG2 THR 154 11.703 13.941 25.018 1001 H CYS 155 H CYS 155 9.186 17.887 24.979 1002 HA CYS 155 HA CYS 155 8.308 19.560 22.758 1003 HB2 CYS 155 2HB CYS 155 8.128 21.341 24.419 1004 HB3 CYS 155 3HB CYS 155 7.291 19.896 24.977 1005 H ASN 156 H ASN 156 9.566 21.002 21.702 1006 HA ASN 156 HA ASN 156 12.434 20.832 22.161 1007 HB2 ASN 156 2HB ASN 156 11.207 22.488 19.987 1008 HB3 ASN 156 3HB ASN 156 12.719 21.585 19.982 1009 HD21 ASN 156 1HD2 ASN 156 12.729 19.470 19.385 1010 HD22 ASN 156 2HD2 ASN 156 11.342 18.646 18.765 1011 H GLU 157 H GLU 157 12.283 22.030 24.203 1012 HA GLU 157 HA GLU 157 12.408 24.922 23.706 1013 HB2 GLU 157 2HB GLU 157 11.146 23.708 26.167 1014 HB3 GLU 157 3HB GLU 157 11.225 25.413 25.746 1015 HG2 GLU 157 2HG GLU 157 9.781 24.992 23.811 1016 HG3 GLU 157 3HG GLU 157 9.679 23.293 24.271 1017 H ASP 158 H ASP 158 12.620 24.721 26.885 1018 HA ASP 158 HA ASP 158 15.481 24.912 26.902 1019 HB2 ASP 158 2HB ASP 158 13.647 26.107 28.400 1020 HB3 ASP 158 3HB ASP 158 13.914 24.706 29.435 1021 H HIS 159 H HIS 159 13.649 22.294 26.632 1022 HA HIS 159 HA HIS 159 15.559 20.411 27.176 1023 HB2 HIS 159 2HB HIS 159 14.546 19.435 29.350 1024 HB3 HIS 159 3HB HIS 159 15.641 20.808 29.478 1025 HD1 HIS 159 HD1 HIS 159 11.876 20.564 28.918 1026 HD2 HIS 159 HD2 HIS 159 14.652 22.467 31.354 1027 HE1 HIS 159 HE1 HIS 159 10.530 22.044 30.442 1028 HA PRO 160 HA PRO 160 12.502 17.926 25.237 1029 HB2 PRO 160 2HB PRO 160 13.404 15.445 25.870 1030 HB3 PRO 160 3HB PRO 160 14.207 16.486 24.689 1031 HG2 PRO 160 2HG PRO 160 14.894 15.999 27.562 1032 HG3 PRO 160 3HG PRO 160 15.970 16.102 26.156 1033 HD2 PRO 160 2HD PRO 160 15.624 18.161 27.881 1034 HD3 PRO 160 3HD PRO 160 15.951 18.407 26.153 1035 H CYS 161 H CYS 161 10.476 17.761 25.952 1036 HA CYS 161 HA CYS 161 9.883 16.012 28.194 1037 HB2 CYS 161 2HB CYS 161 8.416 17.720 29.268 1038 HB3 CYS 161 3HB CYS 161 10.128 18.123 29.339 1039 H TYR 162 H TYR 162 8.268 14.738 27.602 1040 HA TYR 162 HA TYR 162 6.928 14.695 25.264 1041 HB2 TYR 162 2HB TYR 162 4.972 13.665 26.714 1042 HB3 TYR 162 3HB TYR 162 6.505 12.820 26.529 1043 HD1 TYR 162 HD1 TYR 162 4.814 15.262 28.792 1044 HD2 TYR 162 HD2 TYR 162 7.611 12.077 28.423 1045 HE1 TYR 162 HE1 TYR 162 5.079 15.219 31.237 1046 HE2 TYR 162 HE2 TYR 162 7.883 12.024 30.867 1047 HH TYR 162 HH TYR 162 6.086 14.262 32.964 1048 H HIS 163 H HIS 163 5.156 15.606 24.328 1049 HA HIS 163 HA HIS 163 4.383 18.191 25.117 1050 HB2 HIS 163 2HB HIS 163 3.408 16.234 23.076 1051 HB3 HIS 163 3HB HIS 163 2.438 17.663 23.419 1052 HD1 HIS 163 HD1 HIS 163 6.206 17.307 23.009 1053 HD2 HIS 163 HD2 HIS 163 2.980 19.366 21.392 1054 HE1 HIS 163 HE1 HIS 163 7.193 18.874 21.308 1055 H SER 164 H SER 164 2.277 15.319 24.903 1056 HA SER 164 HA SER 164 1.125 15.870 27.490 1057 HB2 SER 164 2HB SER 164 -0.023 17.323 25.583 1058 HB3 SER 164 3HB SER 164 -0.889 15.815 25.287 1059 HG SER 164 HG SER 164 -0.718 17.157 27.784 1060 H TYR 165 H TYR 165 -1.358 14.453 26.750 1061 HA TYR 165 HA TYR 165 -0.254 11.758 26.307 1062 HB2 TYR 165 2HB TYR 165 -2.056 10.957 27.893 1063 HB3 TYR 165 3HB TYR 165 -0.746 11.870 28.634 1064 HD1 TYR 165 HD1 TYR 165 -4.302 11.746 27.958 1065 HD2 TYR 165 HD2 TYR 165 -1.132 14.229 29.333 1066 HE1 TYR 165 HE1 TYR 165 -5.945 13.286 28.947 1067 HE2 TYR 165 HE2 TYR 165 -2.766 15.774 30.327 1068 HH TYR 165 HH TYR 165 -5.529 15.242 31.166 1069 H GLU 166 H GLU 166 -1.049 10.877 24.527 1070 HA GLU 166 HA GLU 166 -3.831 10.739 23.985 1071 HB2 GLU 166 2HB GLU 166 -2.437 13.013 22.931 1072 HB3 GLU 166 3HB GLU 166 -2.932 11.974 21.602 1073 HG2 GLU 166 2HG GLU 166 -5.240 11.997 22.543 1074 HG3 GLU 166 3HG GLU 166 -4.692 13.198 23.710 1075 H GLU 167 H GLU 167 -4.324 9.255 22.359 1076 HA GLU 167 HA GLU 167 -1.999 7.783 21.308 1077 HB2 GLU 167 2HB GLU 167 -4.599 6.403 21.348 1078 HB3 GLU 167 3HB GLU 167 -3.004 5.816 21.797 1079 HG2 GLU 167 2HG GLU 167 -4.099 5.768 23.808 1080 HG3 GLU 167 3HG GLU 167 -3.313 7.344 23.872 1081 H ASP 168 H ASP 168 -1.820 8.961 19.393 1082 HA ASP 168 HA ASP 168 -3.721 8.181 17.341 1083 HB2 ASP 168 2HB ASP 168 -3.850 10.755 18.520 1084 HB3 ASP 168 3HB ASP 168 -3.160 10.961 16.912 1085 H GLY 169 H GLY 169 -2.604 7.507 15.637 1086 HA2 GLY 169 2HA GLY 169 0.208 7.790 15.458 1087 HA3 GLY 169 3HA GLY 169 -0.842 7.131 14.212 1088 H VAL 170 H VAL 170 1.499 9.091 14.258 1089 HA VAL 170 HA VAL 170 0.634 11.652 13.559 1090 HB VAL 170 HB VAL 170 2.997 11.034 14.034 1091 HG11 VAL 170 1HG1 VAL 170 4.257 9.708 12.705 1092 HG12 VAL 170 2HG1 VAL 170 2.684 9.044 12.260 1093 HG13 VAL 170 3HG1 VAL 170 3.460 10.245 11.227 1094 HG21 VAL 170 1HG2 VAL 170 3.284 13.066 13.173 1095 HG22 VAL 170 2HG2 VAL 170 3.670 12.286 11.640 1096 HG23 VAL 170 3HG2 VAL 170 2.018 12.806 11.973 1097 H THR 171 H THR 171 -0.108 12.569 11.725 1098 HA THR 171 HA THR 171 -0.224 10.923 9.290 1099 HB THR 171 HB THR 171 -2.426 10.736 10.202 1100 HG1 THR 171 HG1 THR 171 -2.791 12.842 8.368 1101 HG21 THR 171 1HG2 THR 171 -3.628 13.155 10.365 1102 HG22 THR 171 2HG2 THR 171 -2.000 13.568 10.904 1103 HG23 THR 171 3HG2 THR 171 -2.917 12.316 11.743 1104 H LYS 172 H LYS 172 -0.246 12.068 7.327 1105 HA LYS 172 HA LYS 172 0.728 14.832 7.563 1106 HB2 LYS 172 2HB LYS 172 1.506 12.560 5.943 1107 HB3 LYS 172 3HB LYS 172 1.141 13.956 4.937 1108 HG2 LYS 172 2HG LYS 172 3.018 14.047 7.286 1109 HG3 LYS 172 3HG LYS 172 3.533 13.733 5.627 1110 HD2 LYS 172 2HD LYS 172 2.324 15.922 5.047 1111 HD3 LYS 172 3HD LYS 172 2.335 16.232 6.785 1112 HE2 LYS 172 2HE LYS 172 4.722 15.798 4.995 1113 HE3 LYS 172 3HE LYS 172 4.244 17.301 5.784 1114 HZ1 LYS 172 1HZ LYS 172 5.916 16.456 7.131 1115 HZ2 LYS 172 2HZ LYS 172 5.373 14.860 7.002 1116 HZ3 LYS 172 3HZ LYS 172 4.507 15.975 7.934 1117 H SER 173 H SER 173 0.289 16.024 5.314 1118 HA SER 173 HA SER 173 -2.471 15.571 4.457 1119 HB2 SER 173 2HB SER 173 -1.901 17.486 6.362 1120 HB3 SER 173 3HB SER 173 -1.893 18.414 4.863 1121 HG SER 173 HG SER 173 -3.981 18.399 5.193 1122 H ASP 174 H ASP 174 0.095 15.175 3.181 1123 HA ASP 174 HA ASP 174 -0.129 17.143 0.997 1124 HB2 ASP 174 2HB ASP 174 2.212 16.085 2.428 1125 HB3 ASP 174 3HB ASP 174 2.366 16.065 0.673 1126 H CYS 175 H CYS 175 1.077 13.839 1.607 1127 HA CYS 175 HA CYS 175 1.081 11.973 0.295 1128 HB2 CYS 175 2HB CYS 175 -1.643 12.943 -0.578 1129 HB3 CYS 175 3HB CYS 175 -1.072 11.280 -0.502 1130 HG CYS 175 HG CYS 175 -2.967 11.792 1.539 1131 H ASP 176 H ASP 176 2.220 14.341 -0.905 1132 HA ASP 176 HA ASP 176 1.735 13.724 -3.746 1133 HB2 ASP 176 2HB ASP 176 2.271 16.367 -2.405 1134 HB3 ASP 176 3HB ASP 176 2.585 16.126 -4.122 1135 H CYS 177 H CYS 177 3.724 12.808 -1.591 1136 HA CYS 177 HA CYS 177 6.015 12.787 -3.349 1137 HB2 CYS 177 2HB CYS 177 5.934 14.404 -0.861 1138 HB3 CYS 177 3HB CYS 177 7.394 13.462 -1.141 1139 HG CYS 177 HG CYS 177 6.118 15.773 -3.320 1140 H GLU 178 H GLU 178 7.881 11.546 -2.177 1141 HA GLU 178 HA GLU 178 6.746 9.045 -1.324 1142 HB2 GLU 178 2HB GLU 178 9.648 9.869 -1.526 1143 HB3 GLU 178 3HB GLU 178 9.049 8.226 -1.346 1144 HG2 GLU 178 2HG GLU 178 8.666 10.046 -3.709 1145 HG3 GLU 178 3HG GLU 178 9.661 8.593 -3.630 1146 H HIS 179 H HIS 179 5.794 9.482 0.677 1147 HA HIS 179 HA HIS 179 7.374 10.565 2.838 1148 HB2 HIS 179 2HB HIS 179 4.576 9.425 2.739 1149 HB3 HIS 179 3HB HIS 179 5.317 10.073 4.200 1150 HD1 HIS 179 HD1 HIS 179 4.479 11.255 0.683 1151 HD2 HIS 179 HD2 HIS 179 4.876 12.721 4.550 1152 HE1 HIS 179 HE1 HIS 179 3.784 13.669 0.562 1153 H SER 180 H SER 180 9.041 8.857 2.614 1154 HA SER 180 HA SER 180 8.462 6.692 4.472 1155 HB2 SER 180 2HB SER 180 9.750 5.124 2.836 1156 HB3 SER 180 3HB SER 180 8.039 5.439 2.547 1157 HG SER 180 HG SER 180 8.829 7.180 1.122 1158 HA PRO 181 HA PRO 181 12.619 8.771 4.941 1159 HB2 PRO 181 2HB PRO 181 12.293 9.399 7.562 1160 HB3 PRO 181 3HB PRO 181 11.762 10.455 6.249 1161 HG2 PRO 181 2HG PRO 181 10.165 8.538 7.902 1162 HG3 PRO 181 3HG PRO 181 9.754 10.185 7.389 1163 HD2 PRO 181 2HD PRO 181 8.780 7.986 6.144 1164 HD3 PRO 181 3HD PRO 181 9.109 9.504 5.284 1165 H GLY 182 H GLY 182 14.140 8.339 6.980 1166 HA2 GLY 182 2HA GLY 182 13.883 5.468 7.636 1167 HA3 GLY 182 3HA GLY 182 15.417 6.208 7.202 1168 HA PRO 183 HA PRO 183 14.338 6.496 11.877 1169 HB2 PRO 183 2HB PRO 183 15.510 4.228 12.800 1170 HB3 PRO 183 3HB PRO 183 13.809 4.306 12.326 1171 HG2 PRO 183 2HG PRO 183 16.161 3.284 10.782 1172 HG3 PRO 183 3HG PRO 183 14.538 2.587 10.940 1173 HD2 PRO 183 2HD PRO 183 15.308 4.009 8.768 1174 HD3 PRO 183 3HD PRO 183 13.637 4.011 9.367 1175 H SER 184 H SER 184 16.209 5.918 13.676 1176 HA SER 184 HA SER 184 18.720 6.964 12.538 1177 HB2 SER 184 2HB SER 184 17.063 7.945 14.749 1178 HB3 SER 184 3HB SER 184 18.764 7.756 15.177 1179 HG SER 184 HG SER 184 19.040 8.914 13.010 1180 H GLU 185 H GLU 185 17.210 4.879 14.927 1181 HA GLU 185 HA GLU 185 19.835 3.738 15.590 1182 HB2 GLU 185 2HB GLU 185 17.467 4.288 17.125 1183 HB3 GLU 185 3HB GLU 185 17.831 2.570 17.200 1184 HG2 GLU 185 2HG GLU 185 19.765 4.782 17.851 1185 HG3 GLU 185 3HG GLU 185 18.857 3.838 19.030 Start of MODEL 2 1 H1 MET 1 H MET 1 4.828 1.322 2.521 2 HA MET 1 HA MET 1 4.307 3.626 2.976 3 HB2 MET 1 2HB MET 1 6.078 3.501 1.387 4 HB3 MET 1 3HB MET 1 4.968 3.110 0.080 5 HG2 MET 1 2HG MET 1 4.506 5.677 1.451 6 HG3 MET 1 3HG MET 1 5.981 5.553 0.495 7 HE1 MET 1 1HE MET 1 5.058 3.923 -2.385 8 HE2 MET 1 2HE MET 1 5.095 5.577 -2.996 9 HE3 MET 1 3HE MET 1 6.221 5.078 -1.733 10 H ALA 2 H ALA 2 2.368 2.123 0.466 11 HA ALA 2 HA ALA 2 0.044 3.565 1.197 12 HB1 ALA 2 1HB ALA 2 1.162 4.344 -1.488 13 HB2 ALA 2 2HB ALA 2 -0.287 4.970 -0.700 14 HB3 ALA 2 3HB ALA 2 1.306 5.339 -0.039 15 H HIS 3 H HIS 3 -1.682 2.382 0.651 16 HA HIS 3 HA HIS 3 -1.292 0.041 -1.009 17 HB2 HIS 3 2HB HIS 3 -2.517 -0.255 1.051 18 HB3 HIS 3 3HB HIS 3 -3.659 1.010 0.604 19 HD1 HIS 3 HD1 HIS 3 -2.558 -2.398 -0.679 20 HD2 HIS 3 HD2 HIS 3 -5.901 0.068 -0.586 21 HE1 HIS 3 HE1 HIS 3 -4.419 -3.749 -1.698 22 H GLU 4 H GLU 4 -1.769 -0.072 -3.097 23 HA GLU 4 HA GLU 4 -4.010 1.369 -4.208 24 HB2 GLU 4 2HB GLU 4 -1.687 2.756 -4.208 25 HB3 GLU 4 3HB GLU 4 -1.523 1.880 -5.724 26 HG2 GLU 4 2HG GLU 4 -4.153 3.055 -5.426 27 HG3 GLU 4 3HG GLU 4 -2.868 4.257 -5.326 28 H GLU 5 H GLU 5 -4.652 0.596 -6.247 29 HA GLU 5 HA GLU 5 -3.957 -2.126 -6.745 30 HB2 GLU 5 2HB GLU 5 -5.966 -0.225 -7.661 31 HB3 GLU 5 3HB GLU 5 -5.382 -1.256 -8.960 32 HG2 GLU 5 2HG GLU 5 -7.170 -2.449 -8.140 33 HG3 GLU 5 3HG GLU 5 -5.806 -3.190 -7.306 34 H ASP 6 H ASP 6 -2.373 -2.892 -7.967 35 HA ASP 6 HA ASP 6 -1.610 -1.767 -10.455 36 HB2 ASP 6 2HB ASP 6 -0.373 -0.589 -8.212 37 HB3 ASP 6 3HB ASP 6 0.836 -1.644 -8.939 38 H GLY 7 H GLY 7 0.840 -2.759 -10.897 39 HA2 GLY 7 2HA GLY 7 0.521 -5.628 -10.269 40 HA3 GLY 7 3HA GLY 7 1.177 -5.019 -11.781 41 H VAL 8 H VAL 8 2.451 -2.976 -9.654 42 HA VAL 8 HA VAL 8 4.856 -4.634 -9.290 43 HB VAL 8 HB VAL 8 6.010 -2.380 -8.996 44 HG11 VAL 8 1HG1 VAL 8 5.479 -2.003 -11.668 45 HG12 VAL 8 2HG1 VAL 8 6.682 -3.108 -11.000 46 HG13 VAL 8 3HG1 VAL 8 5.075 -3.702 -11.418 47 HG21 VAL 8 1HG2 VAL 8 3.930 -1.084 -10.612 48 HG22 VAL 8 2HG2 VAL 8 3.484 -1.383 -8.932 49 HG23 VAL 8 3HG2 VAL 8 4.923 -0.435 -9.307 50 H CYS 9 H CYS 9 4.583 -5.537 -7.304 51 HA CYS 9 HA CYS 9 4.878 -3.801 -5.025 52 HB2 CYS 9 2HB CYS 9 2.916 -4.473 -3.828 53 HB3 CYS 9 3HB CYS 9 2.394 -3.901 -5.408 54 HG CYS 9 HG CYS 9 2.174 -6.561 -6.433 55 H ASN 10 H ASN 10 5.669 -4.864 -3.197 56 HA ASN 10 HA ASN 10 6.437 -7.672 -3.654 57 HB2 ASN 10 2HB ASN 10 8.517 -6.777 -3.533 58 HB3 ASN 10 3HB ASN 10 7.954 -5.328 -2.706 59 HD21 ASN 10 1HD2 ASN 10 7.566 -5.460 -0.424 60 HD22 ASN 10 2HD2 ASN 10 8.449 -6.593 0.535 61 H SER 11 H SER 11 5.102 -5.355 -1.421 62 HA SER 11 HA SER 11 4.847 -7.415 0.650 63 HB2 SER 11 2HB SER 11 3.830 -5.190 1.813 64 HB3 SER 11 3HB SER 11 5.542 -5.610 1.848 65 HG SER 11 HG SER 11 4.228 -3.612 0.452 66 H ASN 12 H ASN 12 2.689 -4.691 0.043 67 HA ASN 12 HA ASN 12 0.506 -6.592 -0.489 68 HB2 ASN 12 2HB ASN 12 0.584 -5.586 1.890 69 HB3 ASN 12 3HB ASN 12 0.082 -4.084 1.120 70 HD21 ASN 12 1HD2 ASN 12 -0.787 -7.495 1.424 71 HD22 ASN 12 2HD2 ASN 12 -2.494 -7.250 1.322 72 H ALA 13 H ALA 13 2.164 -3.757 -1.338 73 HA ALA 13 HA ALA 13 0.811 -3.421 -3.763 74 HB1 ALA 13 1HB ALA 13 -1.048 -2.382 -3.074 75 HB2 ALA 13 2HB ALA 13 -0.367 -2.008 -1.490 76 HB3 ALA 13 3HB ALA 13 -0.005 -0.974 -2.872 77 HA PRO 14 HA PRO 14 3.720 0.370 -3.067 78 HB2 PRO 14 2HB PRO 14 4.770 0.704 -0.586 79 HB3 PRO 14 3HB PRO 14 3.230 1.417 -1.081 80 HG2 PRO 14 2HG PRO 14 3.744 -1.068 0.507 81 HG3 PRO 14 3HG PRO 14 2.536 0.202 0.776 82 HD2 PRO 14 2HD PRO 14 1.927 -2.164 -0.391 83 HD3 PRO 14 3HD PRO 14 1.102 -0.650 -0.814 84 H CYS 15 H CYS 15 6.166 0.641 -2.134 85 HA CYS 15 HA CYS 15 7.720 -1.241 -3.370 86 HB2 CYS 15 2HB CYS 15 8.202 0.845 -1.336 87 HB3 CYS 15 3HB CYS 15 9.429 -0.413 -1.427 88 HG CYS 15 HG CYS 15 10.230 0.081 -3.964 89 H TYR 16 H TYR 16 7.967 -0.988 0.153 90 HA TYR 16 HA TYR 16 7.271 -3.748 0.570 91 HB2 TYR 16 2HB TYR 16 9.601 -4.161 1.650 92 HB3 TYR 16 3HB TYR 16 9.428 -4.320 -0.095 93 HD1 TYR 16 HD1 TYR 16 10.794 -2.257 2.618 94 HD2 TYR 16 HD2 TYR 16 10.480 -2.749 -1.597 95 HE1 TYR 16 HE1 TYR 16 12.599 -0.617 2.298 96 HE2 TYR 16 HE2 TYR 16 12.285 -1.112 -1.928 97 HH TYR 16 HH TYR 16 13.182 1.001 -0.259 98 H HIS 17 H HIS 17 5.982 -3.429 2.268 99 HA HIS 17 HA HIS 17 6.974 -1.759 4.482 100 HB2 HIS 17 2HB HIS 17 4.701 -1.283 5.075 101 HB3 HIS 17 3HB HIS 17 4.867 -0.993 3.345 102 HD1 HIS 17 HD1 HIS 17 3.421 -3.500 5.768 103 HD2 HIS 17 HD2 HIS 17 3.212 -2.494 1.742 104 HE1 HIS 17 HE1 HIS 17 1.534 -4.871 4.829 105 H CYS 18 H CYS 18 5.709 -2.464 6.610 106 HA CYS 18 HA CYS 18 6.418 -5.272 6.995 107 HB2 CYS 18 2HB CYS 18 7.448 -4.001 8.652 108 HB3 CYS 18 3HB CYS 18 6.066 -2.925 8.826 109 HG CYS 18 HG CYS 18 5.375 -6.077 9.674 110 H ASP 19 H ASP 19 5.017 -6.796 7.852 111 HA ASP 19 HA ASP 19 2.252 -6.425 7.208 112 HB2 ASP 19 2HB ASP 19 3.788 -8.701 8.461 113 HB3 ASP 19 3HB ASP 19 2.047 -8.762 8.198 114 H ALA 20 H ALA 20 3.909 -7.241 10.263 115 HA ALA 20 HA ALA 20 1.999 -7.275 12.098 116 HB1 ALA 20 1HB ALA 20 4.684 -6.827 12.211 117 HB2 ALA 20 2HB ALA 20 4.041 -5.334 12.894 118 HB3 ALA 20 3HB ALA 20 3.609 -6.887 13.608 119 H ASN 21 H ASN 21 3.038 -4.338 10.442 120 HA ASN 21 HA ASN 21 0.786 -2.907 11.692 121 HB2 ASN 21 2HB ASN 21 2.004 -0.840 11.345 122 HB3 ASN 21 3HB ASN 21 3.035 -1.977 12.208 123 HD21 ASN 21 1HD2 ASN 21 3.181 -3.407 9.465 124 HD22 ASN 21 2HD2 ASN 21 4.443 -2.549 8.655 125 H GLY 22 H GLY 22 1.974 -4.210 8.814 126 HA2 GLY 22 2HA GLY 22 0.931 -2.364 6.930 127 HA3 GLY 22 3HA GLY 22 1.331 -4.046 6.614 128 H GLU 23 H GLU 23 -0.666 -4.368 9.089 129 HA GLU 23 HA GLU 23 -3.176 -3.957 7.678 130 HB2 GLU 23 2HB GLU 23 -2.097 -6.281 7.144 131 HB3 GLU 23 3HB GLU 23 -2.654 -6.703 8.757 132 HG2 GLU 23 2HG GLU 23 -4.842 -6.683 8.164 133 HG3 GLU 23 3HG GLU 23 -4.614 -5.440 6.936 134 H ASN 24 H ASN 24 -1.388 -4.757 10.552 135 HA ASN 24 HA ASN 24 -3.746 -4.739 12.241 136 HB2 ASN 24 2HB ASN 24 -0.973 -4.661 13.353 137 HB3 ASN 24 3HB ASN 24 -2.390 -5.526 13.940 138 HD21 ASN 24 1HD2 ASN 24 -2.211 -7.627 13.770 139 HD22 ASN 24 2HD2 ASN 24 -1.375 -8.488 12.527 140 H CYS 25 H CYS 25 -1.723 -2.448 10.881 141 HA CYS 25 HA CYS 25 -2.625 -0.439 12.822 142 HB2 CYS 25 2HB CYS 25 -0.425 -0.521 13.509 143 HB3 CYS 25 3HB CYS 25 0.165 -0.994 11.920 144 HG CYS 25 HG CYS 25 -1.028 2.152 12.478 145 H SER 26 H SER 26 -0.925 -0.743 9.698 146 HA SER 26 HA SER 26 -2.961 0.679 8.293 147 HB2 SER 26 2HB SER 26 -1.420 2.589 7.618 148 HB3 SER 26 3HB SER 26 -2.051 2.654 9.264 149 HG SER 26 HG SER 26 0.513 1.719 8.479 150 H CYS 27 H CYS 27 -2.894 0.154 6.190 151 HA CYS 27 HA CYS 27 -0.879 -1.662 5.275 152 HB2 CYS 27 2HB CYS 27 -2.173 -1.625 3.146 153 HB3 CYS 27 3HB CYS 27 -3.160 -1.991 4.556 154 HG CYS 27 HG CYS 27 -3.106 0.886 2.726 155 H ASN 28 H ASN 28 0.658 0.336 5.844 156 HA ASN 28 HA ASN 28 1.831 1.104 3.383 157 HB2 ASN 28 2HB ASN 28 1.608 3.649 3.987 158 HB3 ASN 28 3HB ASN 28 0.328 2.841 3.086 159 HD21 ASN 28 1HD2 ASN 28 1.266 4.222 6.124 160 HD22 ASN 28 2HD2 ASN 28 -0.311 4.258 6.828 161 H CYS 29 H CYS 29 3.795 0.489 4.092 162 HA CYS 29 HA CYS 29 5.117 2.167 6.034 163 HB2 CYS 29 2HB CYS 29 5.683 -0.585 6.748 164 HB3 CYS 29 3HB CYS 29 5.203 0.760 7.776 165 HG CYS 29 HG CYS 29 3.427 -1.823 6.740 166 H GLU 30 H GLU 30 7.410 0.764 6.457 167 HA GLU 30 HA GLU 30 8.382 -0.059 3.819 168 HB2 GLU 30 2HB GLU 30 8.803 2.449 4.408 169 HB3 GLU 30 3HB GLU 30 10.042 1.808 5.477 170 HG2 GLU 30 2HG GLU 30 10.257 0.608 2.880 171 HG3 GLU 30 3HG GLU 30 10.257 2.365 2.748 172 H LEU 31 H LEU 31 8.715 -2.155 4.420 173 HA LEU 31 HA LEU 31 11.064 -2.728 5.935 174 HB2 LEU 31 2HB LEU 31 8.676 -2.562 7.388 175 HB3 LEU 31 3HB LEU 31 8.991 -4.284 7.188 176 HG LEU 31 HG LEU 31 11.218 -2.563 8.147 177 HD11 LEU 31 1HD1 LEU 31 8.980 -2.035 9.377 178 HD12 LEU 31 2HD1 LEU 31 10.454 -2.322 10.301 179 HD13 LEU 31 3HD1 LEU 31 9.254 -3.603 10.136 180 HD21 LEU 31 1HD2 LEU 31 11.794 -4.812 7.853 181 HD22 LEU 31 2HD2 LEU 31 10.275 -5.386 8.542 182 HD23 LEU 31 3HD2 LEU 31 11.498 -4.658 9.585 183 H PHE 32 H PHE 32 11.937 -4.616 5.288 184 HA PHE 32 HA PHE 32 10.217 -6.536 3.878 185 HB2 PHE 32 2HB PHE 32 12.085 -6.871 2.234 186 HB3 PHE 32 3HB PHE 32 11.299 -5.299 2.130 187 HD1 PHE 32 HD1 PHE 32 12.427 -3.353 3.384 188 HD2 PHE 32 HD2 PHE 32 14.385 -7.010 2.429 189 HE1 PHE 32 HE1 PHE 32 14.610 -2.245 3.630 190 HE2 PHE 32 HE2 PHE 32 16.571 -5.907 2.675 191 HZ PHE 32 HZ PHE 32 16.685 -3.522 3.276 192 H ASP 33 H ASP 33 10.431 -7.467 6.114 193 HA ASP 33 HA ASP 33 12.603 -9.403 6.097 194 HB2 ASP 33 2HB ASP 33 12.098 -7.494 8.382 195 HB3 ASP 33 3HB ASP 33 13.017 -8.986 8.558 196 H CYS 34 H CYS 34 11.136 -11.034 5.746 197 HA CYS 34 HA CYS 34 9.616 -11.870 8.068 198 HB2 CYS 34 2HB CYS 34 7.942 -12.139 5.704 199 HB3 CYS 34 3HB CYS 34 7.540 -11.504 7.296 200 H GLU 35 H GLU 35 8.343 -14.008 7.324 201 HA GLU 35 HA GLU 35 9.600 -15.583 5.314 202 HB2 GLU 35 2HB GLU 35 10.680 -17.224 6.811 203 HB3 GLU 35 3HB GLU 35 11.438 -15.640 6.894 204 HG2 GLU 35 2HG GLU 35 9.926 -15.249 8.931 205 HG3 GLU 35 3HG GLU 35 9.698 -16.997 8.914 206 H ALA 36 H ALA 36 8.019 -16.849 4.628 207 HA ALA 36 HA ALA 36 5.572 -17.214 5.871 208 HB1 ALA 36 1HB ALA 36 5.031 -18.673 4.152 209 HB2 ALA 36 2HB ALA 36 6.301 -17.680 3.436 210 HB3 ALA 36 3HB ALA 36 6.675 -19.298 4.028 211 H LYS 37 H LYS 37 4.781 -18.561 7.375 212 HA LYS 37 HA LYS 37 5.920 -21.098 7.987 213 HB2 LYS 37 2HB LYS 37 7.183 -18.946 9.224 214 HB3 LYS 37 3HB LYS 37 6.089 -19.566 10.453 215 HG2 LYS 37 2HG LYS 37 7.879 -20.870 10.905 216 HG3 LYS 37 3HG LYS 37 7.136 -21.877 9.660 217 HD2 LYS 37 2HD LYS 37 8.793 -21.486 8.181 218 HD3 LYS 37 3HD LYS 37 8.958 -19.795 8.660 219 HE2 LYS 37 2HE LYS 37 9.953 -20.868 10.851 220 HE3 LYS 37 3HE LYS 37 10.262 -22.231 9.777 221 HZ1 LYS 37 1HZ LYS 37 11.712 -19.838 10.025 222 HZ2 LYS 37 2HZ LYS 37 11.082 -19.919 8.457 223 HZ3 LYS 37 3HZ LYS 37 12.048 -21.177 9.046 224 H LYS 38 H LYS 38 4.940 -21.858 10.233 225 HA LYS 38 HA LYS 38 2.318 -20.715 10.741 226 HB2 LYS 38 2HB LYS 38 2.676 -23.542 9.731 227 HB3 LYS 38 3HB LYS 38 1.187 -22.915 10.425 228 HG2 LYS 38 2HG LYS 38 0.715 -22.619 8.229 229 HG3 LYS 38 3HG LYS 38 1.518 -21.079 8.547 230 HD2 LYS 38 2HD LYS 38 3.658 -22.545 7.906 231 HD3 LYS 38 3HD LYS 38 2.438 -23.422 6.980 232 HE2 LYS 38 2HE LYS 38 2.121 -21.713 5.533 233 HE3 LYS 38 3HE LYS 38 2.350 -20.481 6.772 234 HZ1 LYS 38 1HZ LYS 38 4.422 -20.197 6.094 235 HZ2 LYS 38 2HZ LYS 38 4.169 -21.309 4.844 236 HZ3 LYS 38 3HZ LYS 38 4.781 -21.834 6.332 237 HA PRO 39 HA PRO 39 4.307 -22.203 14.580 238 HB2 PRO 39 2HB PRO 39 3.224 -20.259 16.135 239 HB3 PRO 39 3HB PRO 39 4.695 -20.020 15.185 240 HG2 PRO 39 2HG PRO 39 1.882 -19.209 14.558 241 HG3 PRO 39 3HG PRO 39 3.385 -18.292 14.345 242 HD2 PRO 39 2HD PRO 39 2.154 -19.567 12.297 243 HD3 PRO 39 3HD PRO 39 3.917 -19.377 12.382 244 H ASP 40 H ASP 40 1.157 -22.035 13.419 245 HA ASP 40 HA ASP 40 0.230 -24.010 15.262 246 HB2 ASP 40 2HB ASP 40 -0.410 -21.198 15.758 247 HB3 ASP 40 3HB ASP 40 -1.838 -22.222 15.635 248 H GLY 41 H GLY 41 -1.473 -25.160 14.444 249 HA2 GLY 41 2HA GLY 41 -2.015 -25.531 11.899 250 HA3 GLY 41 3HA GLY 41 -3.331 -25.568 13.063 251 H SER 42 H SER 42 -1.430 -23.202 11.193 252 HA SER 42 HA SER 42 -3.571 -22.134 9.783 253 HB2 SER 42 2HB SER 42 -3.785 -19.922 11.034 254 HB3 SER 42 3HB SER 42 -4.553 -21.318 11.789 255 HG SER 42 HG SER 42 -3.245 -19.960 13.207 256 H TYR 43 H TYR 43 -3.033 -19.927 8.847 257 HA TYR 43 HA TYR 43 -0.242 -19.953 8.084 258 HB2 TYR 43 2HB TYR 43 -2.680 -19.139 6.875 259 HB3 TYR 43 3HB TYR 43 -1.644 -17.720 6.974 260 HD1 TYR 43 HD1 TYR 43 -1.324 -21.340 6.077 261 HD2 TYR 43 HD2 TYR 43 -0.293 -17.316 5.156 262 HE1 TYR 43 HE1 TYR 43 -0.083 -22.117 4.100 263 HE2 TYR 43 HE2 TYR 43 0.949 -18.081 3.176 264 HH TYR 43 HH TYR 43 2.135 -20.370 2.520 265 H ALA 44 H ALA 44 1.264 -18.392 8.498 266 HA ALA 44 HA ALA 44 0.648 -15.877 9.683 267 HB1 ALA 44 1HB ALA 44 1.121 -18.140 11.454 268 HB2 ALA 44 2HB ALA 44 2.210 -16.785 11.754 269 HB3 ALA 44 3HB ALA 44 0.464 -16.542 11.806 270 H HIS 45 H HIS 45 2.158 -14.565 8.916 271 HA HIS 45 HA HIS 45 4.915 -14.919 9.240 272 HB2 HIS 45 2HB HIS 45 5.563 -15.258 6.846 273 HB3 HIS 45 3HB HIS 45 4.796 -16.661 7.584 274 HD1 HIS 45 HD1 HIS 45 4.682 -14.663 4.619 275 HD2 HIS 45 HD2 HIS 45 1.878 -16.729 6.885 276 HE1 HIS 45 HE1 HIS 45 2.698 -14.981 3.107 277 HA PRO 46 HA PRO 46 3.250 -10.718 8.049 278 HB2 PRO 46 2HB PRO 46 4.031 -9.476 10.333 279 HB3 PRO 46 3HB PRO 46 2.471 -10.290 10.168 280 HG2 PRO 46 2HG PRO 46 4.997 -11.275 11.437 281 HG3 PRO 46 3HG PRO 46 3.326 -11.421 12.011 282 HD2 PRO 46 2HD PRO 46 4.625 -13.451 10.777 283 HD3 PRO 46 3HD PRO 46 2.873 -13.207 10.626 284 H CYS 47 H CYS 47 5.684 -9.849 10.291 285 HA CYS 47 HA CYS 47 7.909 -9.966 8.484 286 HB2 CYS 47 2HB CYS 47 6.279 -7.505 8.707 287 HB3 CYS 47 3HB CYS 47 8.022 -7.283 8.812 288 H ARG 48 H ARG 48 9.676 -8.297 9.468 289 HA ARG 48 HA ARG 48 10.879 -9.226 11.578 290 HB2 ARG 48 2HB ARG 48 10.731 -6.614 10.451 291 HB3 ARG 48 3HB ARG 48 10.765 -6.446 12.201 292 HG2 ARG 48 2HG ARG 48 12.733 -8.236 11.894 293 HG3 ARG 48 3HG ARG 48 12.848 -7.398 10.345 294 HD2 ARG 48 2HD ARG 48 12.522 -5.537 12.532 295 HD3 ARG 48 3HD ARG 48 13.918 -6.583 12.784 296 HE ARG 48 HE ARG 48 14.055 -5.692 10.167 297 HH11 ARG 48 1HH1 ARG 48 14.103 -4.309 13.361 298 HH12 ARG 48 2HH1 ARG 48 15.094 -2.963 12.904 299 HH21 ARG 48 1HH2 ARG 48 15.360 -3.925 9.553 300 HH22 ARG 48 2HH2 ARG 48 15.808 -2.745 10.738 301 H ARG 49 H ARG 49 8.587 -6.579 12.254 302 HA ARG 49 HA ARG 49 8.368 -6.787 14.939 303 HB2 ARG 49 2HB ARG 49 6.360 -6.104 12.832 304 HB3 ARG 49 3HB ARG 49 5.832 -6.225 14.505 305 HG2 ARG 49 2HG ARG 49 8.096 -4.468 13.592 306 HG3 ARG 49 3HG ARG 49 6.425 -3.924 13.751 307 HD2 ARG 49 2HD ARG 49 6.463 -4.534 16.126 308 HD3 ARG 49 3HD ARG 49 8.137 -5.060 15.959 309 HE ARG 49 HE ARG 49 7.614 -2.316 15.202 310 HH11 ARG 49 1HH1 ARG 49 8.591 -4.515 17.717 311 HH12 ARG 49 2HH1 ARG 49 9.401 -3.298 18.647 312 HH21 ARG 49 1HH2 ARG 49 8.677 -0.704 16.417 313 HH22 ARG 49 2HH2 ARG 49 9.449 -1.131 17.907 314 H CYS 50 H CYS 50 7.990 -8.416 16.275 315 HA CYS 50 HA CYS 50 7.168 -10.958 15.554 316 HB2 CYS 50 2HB CYS 50 8.235 -10.052 17.764 317 HB3 CYS 50 3HB CYS 50 6.564 -9.896 18.292 318 HG CYS 50 HG CYS 50 6.010 -12.650 17.850 319 H ASP 51 H ASP 51 5.306 -11.518 14.649 320 HA ASP 51 HA ASP 51 2.839 -11.312 15.950 321 HB2 ASP 51 2HB ASP 51 1.686 -9.594 14.879 322 HB3 ASP 51 3HB ASP 51 3.274 -8.880 15.143 323 H ALA 52 H ALA 52 1.053 -11.341 13.850 324 HA ALA 52 HA ALA 52 1.748 -12.761 11.572 325 HB1 ALA 52 1HB ALA 52 0.552 -14.944 12.908 326 HB2 ALA 52 2HB ALA 52 2.178 -14.834 12.231 327 HB3 ALA 52 3HB ALA 52 1.890 -14.383 13.911 328 H ASN 53 H ASN 53 -0.159 -13.859 10.546 329 HA ASN 53 HA ASN 53 -2.582 -12.368 11.239 330 HB2 ASN 53 2HB ASN 53 -1.422 -13.436 8.743 331 HB3 ASN 53 3HB ASN 53 -3.172 -13.584 8.878 332 HD21 ASN 53 1HD2 ASN 53 -4.404 -11.658 9.234 333 HD22 ASN 53 2HD2 ASN 53 -3.806 -10.135 8.680 334 H ASN 54 H ASN 54 -3.378 -13.613 12.935 335 HA ASN 54 HA ASN 54 -3.590 -16.367 13.066 336 HB2 ASN 54 2HB ASN 54 -5.056 -14.094 14.304 337 HB3 ASN 54 3HB ASN 54 -5.802 -15.686 14.414 338 HD21 ASN 54 1HD2 ASN 54 -2.382 -14.812 14.440 339 HD22 ASN 54 2HD2 ASN 54 -2.052 -15.437 16.017 340 H ILE 55 H ILE 55 -4.239 -17.444 11.265 341 HA ILE 55 HA ILE 55 -6.980 -16.904 10.322 342 HB ILE 55 HB ILE 55 -5.451 -16.304 8.561 343 HG12 ILE 55 2HG1 ILE 55 -6.745 -18.993 8.066 344 HG13 ILE 55 3HG1 ILE 55 -7.494 -17.415 7.852 345 HG21 ILE 55 1HG2 ILE 55 -4.281 -18.859 7.964 346 HG22 ILE 55 2HG2 ILE 55 -3.496 -17.305 8.239 347 HG23 ILE 55 3HG2 ILE 55 -3.865 -18.359 9.604 348 HD11 ILE 55 1HD1 ILE 55 -6.864 -17.508 5.735 349 HD12 ILE 55 2HD1 ILE 55 -5.197 -17.342 6.285 350 HD13 ILE 55 3HD1 ILE 55 -5.885 -18.945 6.029 351 H CYS 56 H CYS 56 -7.867 -18.420 11.761 352 HA CYS 56 HA CYS 56 -6.947 -21.124 11.868 353 HB2 CYS 56 2HB CYS 56 -8.948 -19.499 13.195 354 HB3 CYS 56 3HB CYS 56 -9.591 -21.084 12.781 355 HG CYS 56 HG CYS 56 -8.523 -22.326 14.750 356 H LYS 57 H LYS 57 -6.958 -22.043 9.852 357 HA LYS 57 HA LYS 57 -7.991 -22.319 7.678 358 HB2 LYS 57 2HB LYS 57 -9.057 -24.562 7.933 359 HB3 LYS 57 3HB LYS 57 -7.482 -24.431 8.704 360 HG2 LYS 57 2HG LYS 57 -9.239 -23.726 10.710 361 HG3 LYS 57 3HG LYS 57 -10.075 -25.026 9.857 362 HD2 LYS 57 2HD LYS 57 -8.778 -26.072 11.535 363 HD3 LYS 57 3HD LYS 57 -7.916 -26.339 10.017 364 HE2 LYS 57 2HE LYS 57 -6.125 -25.221 10.736 365 HE3 LYS 57 3HE LYS 57 -7.106 -23.873 11.308 366 HZ1 LYS 57 1HZ LYS 57 -7.361 -26.181 12.974 367 HZ2 LYS 57 2HZ LYS 57 -6.962 -24.591 13.392 368 HZ3 LYS 57 3HZ LYS 57 -5.756 -25.656 12.869 369 H CYS 58 H CYS 58 -9.460 -20.228 8.777 370 HA CYS 58 HA CYS 58 -12.073 -20.809 7.668 371 HB2 CYS 58 2HB CYS 58 -11.710 -19.910 10.531 372 HB3 CYS 58 3HB CYS 58 -13.237 -19.808 9.661 373 HG CYS 58 HG CYS 58 -12.589 -22.123 11.556 374 H SER 59 H SER 59 -10.472 -18.304 9.644 375 HA SER 59 HA SER 59 -10.713 -16.423 7.433 376 HB2 SER 59 2HB SER 59 -11.521 -15.053 9.828 377 HB3 SER 59 3HB SER 59 -12.386 -15.212 8.300 378 HG SER 59 HG SER 59 -12.970 -16.338 10.616 379 H CYS 60 H CYS 60 -8.968 -15.164 7.284 380 HA CYS 60 HA CYS 60 -6.899 -15.399 9.287 381 HB2 CYS 60 2HB CYS 60 -5.477 -14.265 7.712 382 HB3 CYS 60 3HB CYS 60 -6.426 -15.457 6.831 383 HG CYS 60 HG CYS 60 -7.404 -12.193 6.960 384 H THR 61 H THR 61 -6.139 -13.819 10.623 385 HA THR 61 HA THR 61 -7.444 -11.188 10.526 386 HB THR 61 HB THR 61 -7.495 -11.248 13.070 387 HG1 THR 61 HG1 THR 61 -7.767 -13.569 13.773 388 HG21 THR 61 1HG2 THR 61 -9.635 -12.478 13.137 389 HG22 THR 61 2HG2 THR 61 -9.296 -13.121 11.530 390 HG23 THR 61 3HG2 THR 61 -9.533 -11.388 11.756 391 H ALA 62 H ALA 62 -6.247 -9.475 11.445 392 HA ALA 62 HA ALA 62 -3.372 -9.960 11.450 393 HB1 ALA 62 1HB ALA 62 -4.869 -7.964 10.357 394 HB2 ALA 62 2HB ALA 62 -4.291 -7.208 11.842 395 HB3 ALA 62 3HB ALA 62 -3.138 -7.868 10.682 396 H ILE 63 H ILE 63 -2.358 -10.334 13.299 397 HA ILE 63 HA ILE 63 -3.098 -8.797 15.675 398 HB ILE 63 HB ILE 63 -2.456 -11.300 16.709 399 HG12 ILE 63 2HG1 ILE 63 -3.035 -12.003 14.249 400 HG13 ILE 63 3HG1 ILE 63 -3.659 -12.942 15.601 401 HG21 ILE 63 1HG2 ILE 63 -5.122 -11.226 17.015 402 HG22 ILE 63 2HG2 ILE 63 -4.009 -10.228 17.949 403 HG23 ILE 63 3HG2 ILE 63 -4.827 -9.553 16.540 404 HD11 ILE 63 1HD1 ILE 63 -5.203 -12.221 13.614 405 HD12 ILE 63 2HD1 ILE 63 -5.804 -12.240 15.272 406 HD13 ILE 63 3HD1 ILE 63 -5.312 -10.718 14.530 407 HA PRO 64 HA PRO 64 1.233 -8.444 16.300 408 HB2 PRO 64 2HB PRO 64 1.376 -8.322 19.008 409 HB3 PRO 64 3HB PRO 64 0.750 -6.998 18.018 410 HG2 PRO 64 2HG PRO 64 -0.747 -9.097 19.539 411 HG3 PRO 64 3HG PRO 64 -1.075 -7.359 19.413 412 HD2 PRO 64 2HD PRO 64 -2.431 -9.206 17.970 413 HD3 PRO 64 3HD PRO 64 -2.098 -7.573 17.358 414 H CYS 65 H CYS 65 2.824 -9.346 18.315 415 HA CYS 65 HA CYS 65 3.642 -11.825 17.592 416 HB2 CYS 65 2HB CYS 65 5.107 -10.746 19.028 417 HB3 CYS 65 3HB CYS 65 3.840 -10.338 20.180 418 HG CYS 65 HG CYS 65 5.014 -13.520 19.739 419 H ASN 66 H ASN 66 2.195 -13.433 17.253 420 HA ASN 66 HA ASN 66 -0.046 -14.047 18.768 421 HB2 ASN 66 2HB ASN 66 0.102 -16.310 17.742 422 HB3 ASN 66 3HB ASN 66 0.288 -15.009 16.569 423 HD21 ASN 66 1HD2 ASN 66 2.504 -14.435 15.970 424 HD22 ASN 66 2HD2 ASN 66 3.690 -15.690 15.898 425 H GLU 67 H GLU 67 3.284 -14.639 19.431 426 HA GLU 67 HA GLU 67 2.687 -16.614 21.492 427 HB2 GLU 67 2HB GLU 67 5.286 -15.487 20.449 428 HB3 GLU 67 3HB GLU 67 5.190 -16.623 21.787 429 HG2 GLU 67 2HG GLU 67 5.108 -18.328 20.389 430 HG3 GLU 67 3HG GLU 67 3.695 -17.647 19.585 431 H ASP 68 H ASP 68 1.781 -13.825 21.717 432 HA ASP 68 HA ASP 68 2.677 -11.913 23.074 433 HB2 ASP 68 2HB ASP 68 0.920 -13.490 24.902 434 HB3 ASP 68 3HB ASP 68 0.841 -11.786 24.463 435 H HIS 69 H HIS 69 4.937 -12.646 23.423 436 HA HIS 69 HA HIS 69 5.292 -13.545 26.205 437 HB2 HIS 69 2HB HIS 69 7.343 -14.705 25.539 438 HB3 HIS 69 3HB HIS 69 5.955 -15.335 24.657 439 HD1 HIS 69 HD1 HIS 69 5.679 -14.076 22.169 440 HD2 HIS 69 HD2 HIS 69 9.443 -14.204 23.924 441 HE1 HIS 69 HE1 HIS 69 7.309 -13.688 20.294 442 HA PRO 70 HA PRO 70 7.723 -9.957 26.888 443 HB2 PRO 70 2HB PRO 70 9.581 -10.877 28.640 444 HB3 PRO 70 3HB PRO 70 7.888 -10.621 29.081 445 HG2 PRO 70 2HG PRO 70 9.290 -13.161 28.342 446 HG3 PRO 70 3HG PRO 70 8.118 -12.867 29.640 447 HD2 PRO 70 2HD PRO 70 7.430 -14.025 27.291 448 HD3 PRO 70 3HD PRO 70 6.314 -12.996 28.211 449 H CYS 71 H CYS 71 8.675 -9.578 24.872 450 HA CYS 71 HA CYS 71 11.504 -10.286 24.732 451 HB2 CYS 71 2HB CYS 71 9.446 -11.337 22.966 452 HB3 CYS 71 3HB CYS 71 10.683 -10.456 22.076 453 HG CYS 71 HG CYS 71 11.557 -12.999 21.883 454 H HIS 72 H HIS 72 12.719 -8.930 23.250 455 HA HIS 72 HA HIS 72 11.727 -6.216 23.278 456 HB2 HIS 72 2HB HIS 72 14.355 -7.292 22.235 457 HB3 HIS 72 3HB HIS 72 13.968 -5.600 22.533 458 HD1 HIS 72 HD1 HIS 72 12.484 -6.581 25.341 459 HD2 HIS 72 HD2 HIS 72 16.443 -7.015 24.158 460 HE1 HIS 72 HE1 HIS 72 13.796 -6.855 27.469 461 H HIS 73 H HIS 73 9.995 -7.260 21.697 462 HA HIS 73 HA HIS 73 10.638 -6.190 19.083 463 HB2 HIS 73 2HB HIS 73 9.849 -8.232 17.898 464 HB3 HIS 73 3HB HIS 73 11.351 -8.482 18.782 465 HD1 HIS 73 HD1 HIS 73 8.037 -8.534 20.533 466 HD2 HIS 73 HD2 HIS 73 10.899 -11.205 19.141 467 HE1 HIS 73 HE1 HIS 73 7.405 -10.764 21.507 468 H CYS 74 H CYS 74 8.594 -6.508 17.609 469 HA CYS 74 HA CYS 74 6.590 -4.995 18.033 470 HB2 CYS 74 2HB CYS 74 6.564 -6.720 16.251 471 HB3 CYS 74 3HB CYS 74 5.999 -7.899 17.428 472 HG CYS 74 HG CYS 74 4.252 -5.832 15.600 473 H HIS 75 H HIS 75 5.814 -4.308 19.929 474 HA HIS 75 HA HIS 75 5.568 -5.521 22.318 475 HB2 HIS 75 2HB HIS 75 4.497 -3.637 22.882 476 HB3 HIS 75 3HB HIS 75 4.547 -3.187 21.180 477 HD1 HIS 75 HD1 HIS 75 2.364 -3.331 19.852 478 HD2 HIS 75 HD2 HIS 75 2.006 -4.607 23.790 479 HE1 HIS 75 HE1 HIS 75 -0.107 -3.537 20.270 480 H GLU 76 H GLU 76 3.840 -6.550 23.490 481 HA GLU 76 HA GLU 76 1.629 -7.700 22.058 482 HB2 GLU 76 2HB GLU 76 2.642 -10.041 23.055 483 HB3 GLU 76 3HB GLU 76 2.731 -9.535 21.374 484 HG2 GLU 76 2HG GLU 76 4.889 -10.297 22.176 485 HG3 GLU 76 3HG GLU 76 4.936 -8.585 21.759 486 H GLU 77 H GLU 77 0.225 -6.958 23.569 487 HA GLU 77 HA GLU 77 0.341 -6.549 26.183 488 HB2 GLU 77 2HB GLU 77 -1.924 -8.181 25.035 489 HB3 GLU 77 3HB GLU 77 -1.990 -7.076 26.401 490 HG2 GLU 77 2HG GLU 77 -2.801 -5.630 24.909 491 HG3 GLU 77 3HG GLU 77 -1.113 -5.422 24.446 492 H ASP 78 H ASP 78 2.152 -8.039 26.750 493 HA ASP 78 HA ASP 78 1.173 -10.148 28.399 494 HB2 ASP 78 2HB ASP 78 1.954 -10.834 25.727 495 HB3 ASP 78 3HB ASP 78 3.104 -11.538 26.860 496 H ASP 79 H ASP 79 4.033 -8.842 26.753 497 HA ASP 79 HA ASP 79 6.078 -9.657 28.327 498 HB2 ASP 79 2HB ASP 79 7.018 -7.259 27.978 499 HB3 ASP 79 3HB ASP 79 6.699 -8.262 26.565 500 H GLY 80 H GLY 80 6.608 -9.555 30.409 501 HA2 GLY 80 2HA GLY 80 6.947 -8.079 32.357 502 HA3 GLY 80 3HA GLY 80 5.327 -7.465 32.061 503 H ASP 81 H ASP 81 6.344 -8.602 34.504 504 HA ASP 81 HA ASP 81 4.769 -11.082 34.679 505 HB2 ASP 81 2HB ASP 81 7.353 -10.660 35.471 506 HB3 ASP 81 3HB ASP 81 6.473 -10.376 36.970 507 H THR 82 H THR 82 4.337 -11.208 37.374 508 HA THR 82 HA THR 82 1.991 -9.901 37.798 509 HB THR 82 HB THR 82 3.914 -10.362 40.072 510 HG1 THR 82 HG1 THR 82 2.921 -12.168 38.279 511 HG21 THR 82 1HG2 THR 82 1.115 -9.733 39.832 512 HG22 THR 82 2HG2 THR 82 2.117 -9.833 41.280 513 HG23 THR 82 3HG2 THR 82 1.329 -11.280 40.650 514 H HIS 83 H HIS 83 4.969 -8.850 39.455 515 HA HIS 83 HA HIS 83 4.139 -6.438 40.401 516 HB2 HIS 83 2HB HIS 83 6.853 -7.060 39.218 517 HB3 HIS 83 3HB HIS 83 6.498 -5.691 40.268 518 HD1 HIS 83 HD1 HIS 83 4.552 -8.065 41.823 519 HD2 HIS 83 HD2 HIS 83 8.670 -7.646 41.466 520 HE1 HIS 83 HE1 HIS 83 5.530 -9.390 43.724 521 H CYS 84 H CYS 84 5.545 -7.009 37.182 522 HA CYS 84 HA CYS 84 5.516 -4.431 36.208 523 HB2 CYS 84 2HB CYS 84 5.161 -7.099 34.875 524 HB3 CYS 84 3HB CYS 84 5.067 -5.614 33.936 525 HG CYS 84 HG CYS 84 7.592 -6.339 33.436 526 H HIS 85 H HIS 85 2.870 -6.768 36.330 527 HA HIS 85 HA HIS 85 1.007 -5.224 34.866 528 HB2 HIS 85 2HB HIS 85 0.630 -7.435 36.891 529 HB3 HIS 85 3HB HIS 85 -0.695 -6.718 35.979 530 HD1 HIS 85 HD1 HIS 85 2.672 -7.553 34.497 531 HD2 HIS 85 HD2 HIS 85 -1.256 -8.905 34.406 532 HE1 HIS 85 HE1 HIS 85 2.594 -9.271 32.662 533 H CYS 86 H CYS 86 1.917 -5.319 38.249 534 HA CYS 86 HA CYS 86 -0.273 -3.723 39.165 535 HB2 CYS 86 2HB CYS 86 2.338 -4.585 40.393 536 HB3 CYS 86 3HB CYS 86 1.254 -3.473 41.221 537 HG CYS 86 HG CYS 86 -0.101 -5.332 42.337 538 H SER 87 H SER 87 2.956 -3.095 37.985 539 HA SER 87 HA SER 87 2.981 -0.341 38.816 540 HB2 SER 87 2HB SER 87 4.770 -1.817 36.868 541 HB3 SER 87 3HB SER 87 5.067 -0.200 37.506 542 HG SER 87 HG SER 87 5.152 -2.680 38.834 543 H CYS 88 H CYS 88 1.877 -2.122 36.073 544 HA CYS 88 HA CYS 88 1.807 0.141 34.290 545 HB2 CYS 88 2HB CYS 88 0.770 -2.683 34.118 546 HB3 CYS 88 3HB CYS 88 0.407 -1.486 32.881 547 HG CYS 88 HG CYS 88 3.637 -2.151 33.740 548 H GLU 89 H GLU 89 -0.477 -1.620 36.318 549 HA GLU 89 HA GLU 89 -2.816 -0.328 35.410 550 HB2 GLU 89 2HB GLU 89 -2.332 -2.421 37.059 551 HB3 GLU 89 3HB GLU 89 -2.733 -1.181 38.239 552 HG2 GLU 89 2HG GLU 89 -4.868 -0.808 37.191 553 HG3 GLU 89 3HG GLU 89 -4.465 -1.936 35.898 554 H HIS 90 H HIS 90 -0.397 0.516 37.789 555 HA HIS 90 HA HIS 90 -1.956 2.797 38.720 556 HB2 HIS 90 2HB HIS 90 0.770 1.787 39.559 557 HB3 HIS 90 3HB HIS 90 -0.083 3.136 40.305 558 HD1 HIS 90 HD1 HIS 90 -1.280 -0.372 39.426 559 HD2 HIS 90 HD2 HIS 90 -0.978 2.201 42.674 560 HE1 HIS 90 HE1 HIS 90 -2.354 -1.587 41.348 561 H SER 91 H SER 91 0.708 2.044 36.627 562 HA SER 91 HA SER 91 1.663 4.755 36.445 563 HB2 SER 91 2HB SER 91 3.243 2.939 36.124 564 HB3 SER 91 3HB SER 91 2.283 2.296 34.792 565 HG SER 91 HG SER 91 2.753 4.178 33.619 566 H HIS 92 H HIS 92 -0.449 2.639 34.601 567 HA HIS 92 HA HIS 92 -0.697 4.391 32.357 568 HB2 HIS 92 2HB HIS 92 -1.156 1.840 32.493 569 HB3 HIS 92 3HB HIS 92 -2.739 2.314 33.102 570 HD1 HIS 92 HD1 HIS 92 -1.037 1.578 30.042 571 HD2 HIS 92 HD2 HIS 92 -4.069 4.185 31.168 572 HE1 HIS 92 HE1 HIS 92 -2.204 2.212 27.908 573 H ASP 93 H ASP 93 -2.364 3.996 35.398 574 HA ASP 93 HA ASP 93 -4.665 5.530 34.721 575 HB2 ASP 93 2HB ASP 93 -3.447 4.663 37.338 576 HB3 ASP 93 3HB ASP 93 -4.879 5.688 37.275 577 H HIS 94 H HIS 94 -1.460 6.303 35.809 578 HA HIS 94 HA HIS 94 -2.213 9.080 36.345 579 HB2 HIS 94 2HB HIS 94 0.180 7.398 36.981 580 HB3 HIS 94 3HB HIS 94 0.352 9.150 36.925 581 HD1 HIS 94 HD1 HIS 94 -0.059 6.682 39.323 582 HD2 HIS 94 HD2 HIS 94 -2.048 10.257 38.602 583 HE1 HIS 94 HE1 HIS 94 -1.160 7.289 41.501 584 H HIS 95 H HIS 95 -0.708 7.098 33.967 585 HA HIS 95 HA HIS 95 -0.067 9.505 32.401 586 HB2 HIS 95 2HB HIS 95 1.587 6.993 32.682 587 HB3 HIS 95 3HB HIS 95 1.841 8.177 31.403 588 HD1 HIS 95 HD1 HIS 95 1.193 10.553 33.617 589 HD2 HIS 95 HD2 HIS 95 4.168 7.654 33.675 590 HE1 HIS 95 HE1 HIS 95 3.000 11.474 35.104 591 H ASP 96 H ASP 96 -2.497 8.210 32.236 592 HA ASP 96 HA ASP 96 -2.822 6.140 30.466 593 HB2 ASP 96 2HB ASP 96 -4.527 7.801 31.730 594 HB3 ASP 96 3HB ASP 96 -4.669 8.427 30.090 595 H ASP 97 H ASP 97 -1.601 9.279 29.826 596 HA ASP 97 HA ASP 97 -2.197 9.372 27.036 597 HB2 ASP 97 2HB ASP 97 -0.595 11.238 26.973 598 HB3 ASP 97 3HB ASP 97 -1.735 11.413 28.305 599 H ASP 98 H ASP 98 -0.347 7.261 28.653 600 HA ASP 98 HA ASP 98 1.681 7.073 26.526 601 HB2 ASP 98 2HB ASP 98 1.717 6.085 29.381 602 HB3 ASP 98 3HB ASP 98 2.924 5.627 28.182 603 H THR 99 H THR 99 -0.780 6.157 25.850 604 HA THR 99 HA THR 99 -0.750 3.256 26.266 605 HB THR 99 HB THR 99 -2.887 4.778 24.788 606 HG1 THR 99 HG1 THR 99 -3.951 4.677 26.955 607 HG21 THR 99 1HG2 THR 99 -3.710 2.716 24.562 608 HG22 THR 99 2HG2 THR 99 -3.942 2.681 26.310 609 HG23 THR 99 3HG2 THR 99 -2.457 2.045 25.604 610 H HIS 100 H HIS 100 1.128 4.752 24.496 611 HA HIS 100 HA HIS 100 0.774 3.064 22.153 612 HB2 HIS 100 2HB HIS 100 0.183 5.859 22.113 613 HB3 HIS 100 3HB HIS 100 1.634 5.585 21.154 614 HD1 HIS 100 HD1 HIS 100 1.301 3.513 19.331 615 HD2 HIS 100 HD2 HIS 100 -2.095 5.462 20.719 616 HE1 HIS 100 HE1 HIS 100 -0.501 2.997 17.656 617 H GLY 101 H GLY 101 2.778 3.625 20.594 618 HA2 GLY 101 2HA GLY 101 5.135 3.450 22.354 619 HA3 GLY 101 3HA GLY 101 5.015 2.740 20.751 620 H GLU 102 H GLU 102 5.738 5.581 22.581 621 HA GLU 102 HA GLU 102 7.002 6.757 20.247 622 HB2 GLU 102 2HB GLU 102 5.937 8.991 20.728 623 HB3 GLU 102 3HB GLU 102 4.866 7.783 20.032 624 HG2 GLU 102 2HG GLU 102 3.601 7.617 21.903 625 HG3 GLU 102 3HG GLU 102 4.953 7.958 22.982 626 H CYS 103 H CYS 103 8.263 8.748 20.868 627 HA CYS 103 HA CYS 103 8.866 9.254 23.597 628 HB2 CYS 103 2HB CYS 103 11.388 8.322 22.670 629 HB3 CYS 103 3HB CYS 103 10.439 7.727 24.029 630 H THR 104 H THR 104 8.864 11.400 23.212 631 HA THR 104 HA THR 104 11.079 12.470 21.644 632 HB THR 104 HB THR 104 9.090 12.384 20.120 633 HG1 THR 104 HG1 THR 104 10.726 14.448 20.656 634 HG21 THR 104 1HG2 THR 104 7.962 14.558 21.876 635 HG22 THR 104 2HG2 THR 104 7.437 12.877 21.970 636 HG23 THR 104 3HG2 THR 104 7.209 13.791 20.479 637 H LYS 105 H LYS 105 9.869 12.301 24.506 638 HA LYS 105 HA LYS 105 10.045 15.178 25.114 639 HB2 LYS 105 2HB LYS 105 9.053 13.478 27.268 640 HB3 LYS 105 3HB LYS 105 8.373 14.955 26.598 641 HG2 LYS 105 2HG LYS 105 6.851 13.823 25.452 642 HG3 LYS 105 3HG LYS 105 8.075 12.757 24.757 643 HD2 LYS 105 2HD LYS 105 6.832 12.450 27.490 644 HD3 LYS 105 3HD LYS 105 6.398 11.516 26.056 645 HE2 LYS 105 2HE LYS 105 9.258 11.577 26.841 646 HE3 LYS 105 3HE LYS 105 8.158 10.646 27.856 647 HZ1 LYS 105 1HZ LYS 105 8.295 9.022 26.380 648 HZ2 LYS 105 2HZ LYS 105 9.241 9.965 25.344 649 HZ3 LYS 105 3HZ LYS 105 7.555 10.011 25.225 650 H LYS 106 H LYS 106 10.714 15.364 27.617 651 HA LYS 106 HA LYS 106 13.449 14.636 27.706 652 HB2 LYS 106 2HB LYS 106 11.651 15.667 29.909 653 HB3 LYS 106 3HB LYS 106 13.406 15.591 29.985 654 HG2 LYS 106 2HG LYS 106 13.444 17.649 29.168 655 HG3 LYS 106 3HG LYS 106 12.856 16.987 27.641 656 HD2 LYS 106 2HD LYS 106 10.723 17.696 27.998 657 HD3 LYS 106 3HD LYS 106 10.841 17.517 29.750 658 HE2 LYS 106 2HE LYS 106 12.329 19.522 29.775 659 HE3 LYS 106 3HE LYS 106 11.989 19.732 28.058 660 HZ1 LYS 106 1HZ LYS 106 10.068 20.702 28.530 661 HZ2 LYS 106 2HZ LYS 106 10.518 20.716 30.160 662 HZ3 LYS 106 3HZ LYS 106 9.588 19.441 29.550 663 H ALA 107 H ALA 107 11.009 12.609 27.903 664 HA ALA 107 HA ALA 107 12.104 11.032 30.133 665 HB1 ALA 107 1HB ALA 107 9.993 10.678 30.707 666 HB2 ALA 107 2HB ALA 107 9.435 11.586 29.301 667 HB3 ALA 107 3HB ALA 107 9.725 9.851 29.172 668 HA PRO 108 HA PRO 108 13.587 7.819 27.538 669 HB2 PRO 108 2HB PRO 108 12.684 5.548 28.719 670 HB3 PRO 108 3HB PRO 108 13.960 6.552 29.417 671 HG2 PRO 108 2HG PRO 108 11.045 6.456 30.091 672 HG3 PRO 108 3HG PRO 108 12.442 6.543 31.179 673 HD2 PRO 108 2HD PRO 108 10.951 8.713 30.546 674 HD3 PRO 108 3HD PRO 108 12.692 8.815 30.881 675 H CYS 109 H CYS 109 12.883 5.677 26.408 676 HA CYS 109 HA CYS 109 10.573 6.319 24.812 677 HB2 CYS 109 2HB CYS 109 12.940 4.988 24.333 678 HB3 CYS 109 3HB CYS 109 11.764 3.678 24.391 679 H TRP 110 H TRP 110 8.590 5.453 24.919 680 HA TRP 110 HA TRP 110 8.181 3.106 26.646 681 HB2 TRP 110 2HB TRP 110 6.442 4.083 27.822 682 HB3 TRP 110 3HB TRP 110 7.525 5.456 27.609 683 HD1 TRP 110 HD1 TRP 110 4.743 3.979 25.320 684 HE1 TRP 110 HE1 TRP 110 3.215 5.919 24.595 685 HE3 TRP 110 HE3 TRP 110 7.014 7.793 27.857 686 HZ2 TRP 110 HZ2 TRP 110 3.001 8.698 25.039 687 HZ3 TRP 110 HZ3 TRP 110 6.085 10.062 27.653 688 HH2 TRP 110 HH2 TRP 110 4.121 10.503 26.272 689 H ARG 111 H ARG 111 6.290 1.850 26.160 690 HA ARG 111 HA ARG 111 4.984 2.397 23.605 691 HB2 ARG 111 2HB ARG 111 5.431 0.182 22.732 692 HB3 ARG 111 3HB ARG 111 6.952 0.987 23.094 693 HG2 ARG 111 2HG ARG 111 6.910 -0.258 25.307 694 HG3 ARG 111 3HG ARG 111 5.612 -1.229 24.608 695 HD2 ARG 111 2HD ARG 111 7.139 -1.753 22.702 696 HD3 ARG 111 3HD ARG 111 8.429 -0.931 23.578 697 HE ARG 111 HE ARG 111 7.571 -2.742 25.373 698 HH11 ARG 111 1HH1 ARG 111 8.480 -2.999 22.022 699 HH12 ARG 111 2HH1 ARG 111 9.054 -4.627 22.167 700 HH21 ARG 111 1HH2 ARG 111 8.324 -4.885 25.577 701 HH22 ARG 111 2HH2 ARG 111 8.964 -5.699 24.190 702 H CYS 112 H CYS 112 3.036 1.175 23.276 703 HA CYS 112 HA CYS 112 1.492 0.891 25.621 704 HB2 CYS 112 2HB CYS 112 0.130 1.393 23.852 705 HB3 CYS 112 3HB CYS 112 1.072 0.435 22.716 706 HG CYS 112 HG CYS 112 -0.439 -1.642 22.735 707 H GLU 113 H GLU 113 1.517 -0.714 27.036 708 HA GLU 113 HA GLU 113 1.854 -3.461 26.071 709 HB2 GLU 113 2HB GLU 113 3.569 -3.998 27.530 710 HB3 GLU 113 3HB GLU 113 4.009 -2.367 27.046 711 HG2 GLU 113 2HG GLU 113 4.238 -2.030 29.243 712 HG3 GLU 113 3HG GLU 113 2.485 -1.847 29.213 713 H TYR 114 H TYR 114 1.089 -5.086 27.583 714 HA TYR 114 HA TYR 114 -0.299 -4.429 29.956 715 HB2 TYR 114 2HB TYR 114 -1.741 -3.903 27.576 716 HB3 TYR 114 3HB TYR 114 -2.445 -5.349 28.290 717 HD1 TYR 114 HD1 TYR 114 -2.153 -4.818 31.164 718 HD2 TYR 114 HD2 TYR 114 -3.271 -2.202 28.001 719 HE1 TYR 114 HE1 TYR 114 -3.399 -3.426 32.764 720 HE2 TYR 114 HE2 TYR 114 -4.519 -0.802 29.592 721 HH TYR 114 HH TYR 114 -5.611 -1.074 31.819 722 H ASN 115 H ASN 115 -2.217 -6.401 30.039 723 HA ASN 115 HA ASN 115 -0.541 -8.788 30.012 724 HB2 ASN 115 2HB ASN 115 -2.457 -9.773 31.337 725 HB3 ASN 115 3HB ASN 115 -1.637 -8.413 32.098 726 HD21 ASN 115 1HD2 ASN 115 -4.451 -9.289 30.166 727 HD22 ASN 115 2HD2 ASN 115 -5.476 -8.033 30.762 728 H ALA 116 H ALA 116 -1.775 -10.892 29.519 729 HA ALA 116 HA ALA 116 -2.403 -10.982 26.817 730 HB1 ALA 116 1HB ALA 116 -3.684 -13.067 28.432 731 HB2 ALA 116 2HB ALA 116 -2.522 -13.203 27.112 732 HB3 ALA 116 3HB ALA 116 -1.963 -12.844 28.746 733 H ASP 117 H ASP 117 -4.075 -10.154 25.767 734 HA ASP 117 HA ASP 117 -6.736 -10.294 27.010 735 HB2 ASP 117 2HB ASP 117 -5.538 -7.957 26.977 736 HB3 ASP 117 3HB ASP 117 -6.013 -7.958 25.280 737 H LEU 118 H LEU 118 -8.495 -9.907 25.337 738 HA LEU 118 HA LEU 118 -7.999 -11.681 23.115 739 HB2 LEU 118 2HB LEU 118 -10.145 -11.299 24.672 740 HB3 LEU 118 3HB LEU 118 -10.567 -10.229 23.336 741 HG LEU 118 HG LEU 118 -9.904 -12.481 21.985 742 HD11 LEU 118 1HD1 LEU 118 -9.541 -13.735 24.064 743 HD12 LEU 118 2HD1 LEU 118 -10.878 -14.389 23.119 744 HD13 LEU 118 3HD1 LEU 118 -11.206 -13.403 24.544 745 HD21 LEU 118 1HD2 LEU 118 -12.046 -10.941 22.148 746 HD22 LEU 118 2HD2 LEU 118 -12.670 -12.316 23.060 747 HD23 LEU 118 3HD2 LEU 118 -12.109 -12.538 21.402 748 H LYS 119 H LYS 119 -9.157 -11.000 20.970 749 HA LYS 119 HA LYS 119 -7.654 -9.129 19.667 750 HB2 LYS 119 2HB LYS 119 -9.557 -9.005 18.006 751 HB3 LYS 119 3HB LYS 119 -8.976 -10.623 18.378 752 HG2 LYS 119 2HG LYS 119 -10.867 -10.796 20.034 753 HG3 LYS 119 3HG LYS 119 -11.496 -9.299 19.341 754 HD2 LYS 119 2HD LYS 119 -10.889 -11.762 17.713 755 HD3 LYS 119 3HD LYS 119 -12.478 -11.414 18.400 756 HE2 LYS 119 2HE LYS 119 -12.809 -10.433 16.391 757 HE3 LYS 119 3HE LYS 119 -11.996 -9.077 17.172 758 HZ1 LYS 119 1HZ LYS 119 -10.210 -10.984 15.951 759 HZ2 LYS 119 2HZ LYS 119 -10.216 -9.295 15.861 760 HZ3 LYS 119 3HZ LYS 119 -11.228 -10.199 14.851 761 H HIS 120 H HIS 120 -7.400 -7.024 19.964 762 HA HIS 120 HA HIS 120 -9.683 -5.276 20.196 763 HB2 HIS 120 2HB HIS 120 -8.529 -6.181 22.565 764 HB3 HIS 120 3HB HIS 120 -7.825 -4.585 22.323 765 HD1 HIS 120 HD1 HIS 120 -11.375 -5.619 21.494 766 HD2 HIS 120 HD2 HIS 120 -9.302 -3.132 24.099 767 HE1 HIS 120 HE1 HIS 120 -13.136 -4.281 22.692 768 H ASP 121 H ASP 121 -8.475 -2.954 20.957 769 HA ASP 121 HA ASP 121 -7.158 -2.135 18.626 770 HB2 ASP 121 2HB ASP 121 -8.232 -0.428 19.818 771 HB3 ASP 121 3HB ASP 121 -7.498 -0.905 21.347 772 H VAL 122 H VAL 122 -5.008 -1.604 18.196 773 HA VAL 122 HA VAL 122 -3.032 -2.768 20.048 774 HB VAL 122 HB VAL 122 -1.641 -3.229 17.990 775 HG11 VAL 122 1HG1 VAL 122 -4.260 -4.713 18.184 776 HG12 VAL 122 2HG1 VAL 122 -2.751 -5.326 17.505 777 HG13 VAL 122 3HG1 VAL 122 -2.864 -4.974 19.230 778 HG21 VAL 122 1HG2 VAL 122 -2.827 -1.759 16.446 779 HG22 VAL 122 2HG2 VAL 122 -2.821 -3.421 15.854 780 HG23 VAL 122 3HG2 VAL 122 -4.276 -2.755 16.597 781 H CYS 123 H CYS 123 -1.229 -1.596 20.487 782 HA CYS 123 HA CYS 123 -0.656 0.802 18.928 783 HB2 CYS 123 2HB CYS 123 -1.069 0.878 21.924 784 HB3 CYS 123 3HB CYS 123 -0.556 2.226 20.917 785 HG CYS 123 HG CYS 123 -3.084 1.904 19.389 786 H GLY 124 H GLY 124 1.480 1.539 19.104 787 HA2 GLY 124 2HA GLY 124 3.606 1.427 20.364 788 HA3 GLY 124 3HA GLY 124 3.285 -0.289 20.566 789 H CYS 125 H CYS 125 2.932 -1.456 18.377 790 HA CYS 125 HA CYS 125 5.320 -1.004 16.833 791 HB2 CYS 125 2HB CYS 125 4.820 -3.080 15.750 792 HB3 CYS 125 3HB CYS 125 4.458 -3.281 17.460 793 HG CYS 125 HG CYS 125 2.142 -4.269 17.008 794 H GLU 126 H GLU 126 2.602 0.632 16.780 795 HA GLU 126 HA GLU 126 1.811 0.519 14.039 796 HB2 GLU 126 2HB GLU 126 1.259 2.458 16.276 797 HB3 GLU 126 3HB GLU 126 0.662 2.727 14.645 798 HG2 GLU 126 2HG GLU 126 -0.892 1.608 16.340 799 HG3 GLU 126 3HG GLU 126 -0.770 0.907 14.728 800 H CYS 127 H CYS 127 4.611 0.835 14.280 801 HA CYS 127 HA CYS 127 5.291 3.581 13.759 802 HB2 CYS 127 2HB CYS 127 6.924 1.054 13.444 803 HB3 CYS 127 3HB CYS 127 7.556 2.691 13.322 804 HG CYS 127 HG CYS 127 8.375 2.420 15.768 805 H SER 128 H SER 128 5.841 4.514 11.814 806 HA SER 128 HA SER 128 4.887 3.079 9.440 807 HB2 SER 128 2HB SER 128 3.796 5.223 9.875 808 HB3 SER 128 3HB SER 128 5.361 6.037 9.885 809 HG SER 128 HG SER 128 4.219 4.661 7.678 810 H LYS 129 H LYS 129 6.076 4.184 7.378 811 HA LYS 129 HA LYS 129 8.446 2.964 6.988 812 HB2 LYS 129 2HB LYS 129 7.372 4.044 5.150 813 HB3 LYS 129 3HB LYS 129 7.524 5.625 5.906 814 HG2 LYS 129 2HG LYS 129 9.777 5.791 5.412 815 HG3 LYS 129 3HG LYS 129 9.966 4.046 5.215 816 HD2 LYS 129 2HD LYS 129 8.583 4.164 3.170 817 HD3 LYS 129 3HD LYS 129 8.499 5.917 3.355 818 HE2 LYS 129 2HE LYS 129 10.924 4.222 2.803 819 HE3 LYS 129 3HE LYS 129 10.217 5.469 1.778 820 HZ1 LYS 129 1HZ LYS 129 10.733 6.910 3.920 821 HZ2 LYS 129 2HZ LYS 129 11.879 6.668 2.699 822 HZ3 LYS 129 3HZ LYS 129 11.942 5.741 4.113 823 H LEU 130 H LEU 130 8.732 6.467 7.173 824 HA LEU 130 HA LEU 130 10.513 6.362 9.446 825 HB2 LEU 130 2HB LEU 130 11.726 5.829 7.147 826 HB3 LEU 130 3HB LEU 130 11.716 7.587 7.022 827 HG LEU 130 HG LEU 130 13.831 6.749 7.917 828 HD11 LEU 130 1HD1 LEU 130 12.123 8.298 9.854 829 HD12 LEU 130 2HD1 LEU 130 13.174 8.946 8.595 830 HD13 LEU 130 3HD1 LEU 130 13.873 8.125 9.990 831 HD21 LEU 130 1HD2 LEU 130 14.021 5.528 9.902 832 HD22 LEU 130 2HD2 LEU 130 12.696 4.749 9.037 833 HD23 LEU 130 3HD2 LEU 130 12.352 5.853 10.370 834 HA PRO 131 HA PRO 131 8.099 10.321 8.641 835 HB2 PRO 131 2HB PRO 131 6.587 10.205 10.893 836 HB3 PRO 131 3HB PRO 131 6.093 9.465 9.365 837 HG2 PRO 131 2HG PRO 131 7.353 8.195 11.766 838 HG3 PRO 131 3HG PRO 131 6.016 7.606 10.760 839 HD2 PRO 131 2HD PRO 131 8.552 6.693 10.494 840 HD3 PRO 131 3HD PRO 131 7.432 6.815 9.122 841 H CYS 132 H CYS 132 7.943 9.913 12.073 842 HA CYS 132 HA CYS 132 10.273 11.685 12.409 843 HB2 CYS 132 2HB CYS 132 9.006 12.692 14.352 844 HB3 CYS 132 3HB CYS 132 8.363 13.068 12.757 845 H ASN 133 H ASN 133 11.095 9.323 12.640 846 HA ASN 133 HA ASN 133 10.979 8.624 15.499 847 HB2 ASN 133 2HB ASN 133 11.747 6.323 14.042 848 HB3 ASN 133 3HB ASN 133 10.257 6.580 14.946 849 HD21 ASN 133 1HD2 ASN 133 11.673 7.589 11.849 850 HD22 ASN 133 2HD2 ASN 133 10.251 7.297 10.912 851 H ASP 134 H ASP 134 12.869 8.721 16.509 852 HA ASP 134 HA ASP 134 15.325 8.681 14.883 853 HB2 ASP 134 2HB ASP 134 14.480 10.313 17.218 854 HB3 ASP 134 3HB ASP 134 16.175 9.835 17.149 855 H GLU 135 H GLU 135 15.211 8.518 18.375 856 HA GLU 135 HA GLU 135 15.256 5.796 18.822 857 HB2 GLU 135 2HB GLU 135 17.658 6.706 17.536 858 HB3 GLU 135 3HB GLU 135 18.039 6.140 19.156 859 HG2 GLU 135 2HG GLU 135 16.946 4.010 18.669 860 HG3 GLU 135 3HG GLU 135 16.573 4.577 17.042 861 H HIS 136 H HIS 136 14.535 5.990 20.841 862 HA HIS 136 HA HIS 136 16.065 7.684 22.705 863 HB2 HIS 136 2HB HIS 136 13.125 7.302 22.356 864 HB3 HIS 136 3HB HIS 136 13.742 7.587 23.981 865 HD1 HIS 136 HD1 HIS 136 15.739 9.357 21.523 866 HD2 HIS 136 HD2 HIS 136 12.214 10.071 23.602 867 HE1 HIS 136 HE1 HIS 136 15.344 11.834 21.346 868 HA PRO 137 HA PRO 137 16.825 4.132 25.170 869 HB2 PRO 137 2HB PRO 137 16.919 5.241 27.646 870 HB3 PRO 137 3HB PRO 137 18.195 5.465 26.444 871 HG2 PRO 137 2HG PRO 137 15.946 7.297 27.183 872 HG3 PRO 137 3HG PRO 137 17.648 7.684 26.874 873 HD2 PRO 137 2HD PRO 137 15.707 8.073 25.026 874 HD3 PRO 137 3HD PRO 137 17.373 7.643 24.586 875 H CYS 138 H CYS 138 15.122 2.743 25.172 876 HA CYS 138 HA CYS 138 12.572 3.308 26.244 877 HB2 CYS 138 2HB CYS 138 13.700 0.532 25.949 878 HB3 CYS 138 3HB CYS 138 12.029 1.057 25.779 879 HG CYS 138 HG CYS 138 13.741 2.684 23.550 880 H TYR 139 H TYR 139 11.582 2.601 28.151 881 HA TYR 139 HA TYR 139 13.395 1.656 30.266 882 HB2 TYR 139 2HB TYR 139 12.601 4.216 30.204 883 HB3 TYR 139 3HB TYR 139 11.214 3.522 31.035 884 HD1 TYR 139 HD1 TYR 139 11.322 3.873 33.307 885 HD2 TYR 139 HD2 TYR 139 14.911 2.964 31.210 886 HE1 TYR 139 HE1 TYR 139 12.566 3.919 35.428 887 HE2 TYR 139 HE2 TYR 139 16.165 3.007 33.325 888 HH TYR 139 HH TYR 139 14.523 3.503 36.425 889 H ARG 140 H ARG 140 11.451 1.657 32.309 890 HA ARG 140 HA ARG 140 10.413 -0.507 32.881 891 HB2 ARG 140 2HB ARG 140 9.290 1.809 33.355 892 HB3 ARG 140 3HB ARG 140 8.152 1.302 32.114 893 HG2 ARG 140 2HG ARG 140 7.324 0.779 34.337 894 HG3 ARG 140 3HG ARG 140 7.615 -0.693 33.407 895 HD2 ARG 140 2HD ARG 140 9.027 -1.440 34.950 896 HD3 ARG 140 3HD ARG 140 9.991 0.031 34.831 897 HE ARG 140 HE ARG 140 7.853 0.739 36.371 898 HH11 ARG 140 1HH1 ARG 140 10.293 -1.738 36.537 899 HH12 ARG 140 2HH1 ARG 140 10.289 -1.809 38.268 900 HH21 ARG 140 1HH2 ARG 140 7.838 0.655 38.651 901 HH22 ARG 140 2HH2 ARG 140 8.892 -0.448 39.469 902 H LYS 141 H LYS 141 8.465 0.958 30.283 903 HA LYS 141 HA LYS 141 7.417 -1.505 29.398 904 HB2 LYS 141 2HB LYS 141 7.641 0.947 27.667 905 HB3 LYS 141 3HB LYS 141 6.389 -0.288 27.656 906 HG2 LYS 141 2HG LYS 141 6.412 0.856 30.238 907 HG3 LYS 141 3HG LYS 141 6.458 2.178 29.070 908 HD2 LYS 141 2HD LYS 141 4.388 1.713 28.260 909 HD3 LYS 141 3HD LYS 141 4.564 -0.026 28.510 910 HE2 LYS 141 2HE LYS 141 3.028 0.432 30.132 911 HE3 LYS 141 3HE LYS 141 4.507 0.701 31.052 912 HZ1 LYS 141 1HZ LYS 141 2.443 2.501 30.589 913 HZ2 LYS 141 2HZ LYS 141 3.778 3.077 29.725 914 HZ3 LYS 141 3HZ LYS 141 3.906 2.791 31.387 915 H GLU 142 H GLU 142 10.426 -1.178 29.505 916 HA GLU 142 HA GLU 142 11.214 -2.947 27.603 917 HB2 GLU 142 2HB GLU 142 10.726 -0.330 26.422 918 HB3 GLU 142 3HB GLU 142 12.372 -0.884 26.147 919 HG2 GLU 142 2HG GLU 142 10.199 -2.828 25.653 920 HG3 GLU 142 3HG GLU 142 10.351 -1.482 24.525 921 H GLY 143 H GLY 143 13.673 -2.511 26.904 922 HA2 GLY 143 2HA GLY 143 15.125 -1.023 28.939 923 HA3 GLY 143 3HA GLY 143 15.311 -2.769 28.995 924 H GLY 144 H GLY 144 15.936 0.132 27.129 925 HA2 GLY 144 2HA GLY 144 18.425 -0.415 26.250 926 HA3 GLY 144 3HA GLY 144 17.429 -1.299 25.102 927 H VAL 145 H VAL 145 18.288 0.064 23.443 928 HA VAL 145 HA VAL 145 17.002 2.715 23.379 929 HB VAL 145 HB VAL 145 18.915 3.413 21.873 930 HG11 VAL 145 1HG1 VAL 145 20.497 3.241 24.125 931 HG12 VAL 145 2HG1 VAL 145 19.315 4.506 23.778 932 HG13 VAL 145 3HG1 VAL 145 18.858 3.116 24.764 933 HG21 VAL 145 1HG2 VAL 145 20.773 1.536 23.073 934 HG22 VAL 145 2HG2 VAL 145 19.593 0.736 22.036 935 HG23 VAL 145 3HG2 VAL 145 20.600 2.032 21.390 936 H VAL 146 H VAL 146 15.494 2.812 21.863 937 HA VAL 146 HA VAL 146 15.968 1.481 19.291 938 HB VAL 146 HB VAL 146 13.882 0.447 19.191 939 HG11 VAL 146 1HG1 VAL 146 14.933 0.235 22.003 940 HG12 VAL 146 2HG1 VAL 146 13.641 -0.793 21.379 941 HG13 VAL 146 3HG1 VAL 146 15.242 -0.840 20.640 942 HG21 VAL 146 1HG2 VAL 146 12.267 0.926 21.259 943 HG22 VAL 146 2HG2 VAL 146 13.111 2.473 21.211 944 HG23 VAL 146 3HG2 VAL 146 12.240 1.900 19.789 945 H SER 147 H SER 147 14.466 2.266 17.581 946 HA SER 147 HA SER 147 14.599 4.979 17.216 947 HB2 SER 147 2HB SER 147 13.492 2.789 15.818 948 HB3 SER 147 3HB SER 147 12.218 4.004 15.922 949 HG SER 147 HG SER 147 13.492 5.441 14.865 950 H CYS 148 H CYS 148 13.381 6.734 17.701 951 HA CYS 148 HA CYS 148 11.011 6.279 19.391 952 HB2 CYS 148 2HB CYS 148 11.566 8.155 20.700 953 HB3 CYS 148 3HB CYS 148 13.097 7.322 20.457 954 HG CYS 148 HG CYS 148 12.043 10.193 18.934 955 H ASP 149 H ASP 149 9.197 6.762 18.363 956 HA ASP 149 HA ASP 149 9.216 9.014 16.461 957 HB2 ASP 149 2HB ASP 149 6.979 7.530 15.823 958 HB3 ASP 149 3HB ASP 149 8.520 7.481 14.971 959 H CYS 150 H CYS 150 7.105 10.127 16.229 960 HA CYS 150 HA CYS 150 5.981 10.619 18.869 961 HB2 CYS 150 2HB CYS 150 4.882 12.559 17.755 962 HB3 CYS 150 3HB CYS 150 6.636 12.570 17.605 963 H LYS 151 H LYS 151 4.100 9.826 19.527 964 HA LYS 151 HA LYS 151 2.169 8.910 17.499 965 HB2 LYS 151 2HB LYS 151 2.906 7.580 20.110 966 HB3 LYS 151 3HB LYS 151 1.524 7.115 19.126 967 HG2 LYS 151 2HG LYS 151 3.559 7.041 17.310 968 HG3 LYS 151 3HG LYS 151 4.361 6.511 18.790 969 HD2 LYS 151 2HD LYS 151 3.011 4.645 19.007 970 HD3 LYS 151 3HD LYS 151 1.715 5.343 18.032 971 HE2 LYS 151 2HE LYS 151 2.929 3.513 16.886 972 HE3 LYS 151 3HE LYS 151 3.001 5.047 16.021 973 HZ1 LYS 151 1HZ LYS 151 5.154 4.001 16.035 974 HZ2 LYS 151 2HZ LYS 151 5.142 3.890 17.723 975 HZ3 LYS 151 3HZ LYS 151 5.214 5.406 16.976 976 H THR 152 H THR 152 1.984 8.987 21.034 977 HA THR 152 HA THR 152 -0.614 10.122 21.022 978 HB THR 152 HB THR 152 0.422 10.598 23.564 979 HG1 THR 152 HG1 THR 152 1.390 8.084 22.649 980 HG21 THR 152 1HG2 THR 152 -1.654 9.232 22.459 981 HG22 THR 152 2HG2 THR 152 -1.241 9.202 24.173 982 HG23 THR 152 3HG2 THR 152 -0.682 7.912 23.108 983 H ILE 153 H ILE 153 2.612 11.459 21.555 984 HA ILE 153 HA ILE 153 1.419 14.153 21.624 985 HB ILE 153 HB ILE 153 3.527 14.894 22.700 986 HG12 ILE 153 2HG1 ILE 153 4.191 12.028 22.284 987 HG13 ILE 153 3HG1 ILE 153 5.237 13.443 22.244 988 HG21 ILE 153 1HG2 ILE 153 1.727 14.534 24.165 989 HG22 ILE 153 2HG2 ILE 153 1.856 12.781 24.027 990 HG23 ILE 153 3HG2 ILE 153 3.090 13.690 24.899 991 HD11 ILE 153 1HD1 ILE 153 5.889 12.127 24.099 992 HD12 ILE 153 2HD1 ILE 153 5.039 13.534 24.739 993 HD13 ILE 153 3HD1 ILE 153 4.223 11.973 24.658 994 H THR 154 H THR 154 1.407 14.757 19.519 995 HA THR 154 HA THR 154 4.016 14.826 18.152 996 HB THR 154 HB THR 154 3.018 14.363 16.040 997 HG1 THR 154 HG1 THR 154 0.708 15.079 17.354 998 HG21 THR 154 1HG2 THR 154 2.958 12.524 18.150 999 HG22 THR 154 2HG2 THR 154 2.962 12.166 16.423 1000 HG23 THR 154 3HG2 THR 154 1.434 12.305 17.291 1001 H CYS 155 H CYS 155 4.644 16.875 18.028 1002 HA CYS 155 HA CYS 155 2.651 19.004 17.870 1003 HB2 CYS 155 2HB CYS 155 4.195 20.390 18.815 1004 HB3 CYS 155 3HB CYS 155 4.866 18.861 19.374 1005 H ASN 156 H ASN 156 2.407 20.350 16.153 1006 HA ASN 156 HA ASN 156 3.888 19.631 13.719 1007 HB2 ASN 156 2HB ASN 156 1.394 21.299 13.716 1008 HB3 ASN 156 3HB ASN 156 2.024 20.241 12.457 1009 HD21 ASN 156 1HD2 ASN 156 -0.598 20.442 13.922 1010 HD22 ASN 156 2HD2 ASN 156 -0.910 18.829 14.459 1011 H GLU 157 H GLU 157 5.708 20.938 14.371 1012 HA GLU 157 HA GLU 157 5.284 23.775 13.737 1013 HB2 GLU 157 2HB GLU 157 5.646 23.169 16.261 1014 HB3 GLU 157 3HB GLU 157 7.328 22.988 15.780 1015 HG2 GLU 157 2HG GLU 157 7.018 25.348 14.749 1016 HG3 GLU 157 3HG GLU 157 5.629 25.440 15.831 1017 H ASP 158 H ASP 158 8.311 23.831 14.574 1018 HA ASP 158 HA ASP 158 9.282 23.513 11.881 1019 HB2 ASP 158 2HB ASP 158 9.951 25.228 13.839 1020 HB3 ASP 158 3HB ASP 158 11.187 24.001 14.105 1021 H HIS 159 H HIS 159 8.543 21.236 13.920 1022 HA HIS 159 HA HIS 159 10.012 19.198 12.820 1023 HB2 HIS 159 2HB HIS 159 11.549 18.742 14.883 1024 HB3 HIS 159 3HB HIS 159 12.079 19.867 13.636 1025 HD1 HIS 159 HD1 HIS 159 9.698 20.595 16.497 1026 HD2 HIS 159 HD2 HIS 159 13.469 21.674 15.126 1027 HE1 HIS 159 HE1 HIS 159 10.452 22.462 18.003 1028 HA PRO 160 HA PRO 160 7.247 16.793 15.228 1029 HB2 PRO 160 2HB PRO 160 8.616 14.470 15.552 1030 HB3 PRO 160 3HB PRO 160 7.918 14.967 14.005 1031 HG2 PRO 160 2HG PRO 160 10.743 15.195 14.969 1032 HG3 PRO 160 3HG PRO 160 10.140 14.694 13.378 1033 HD2 PRO 160 2HD PRO 160 11.090 17.184 13.858 1034 HD3 PRO 160 3HD PRO 160 9.796 16.865 12.685 1035 H CYS 161 H CYS 161 6.709 16.914 17.309 1036 HA CYS 161 HA CYS 161 8.611 16.200 19.379 1037 HB2 CYS 161 2HB CYS 161 7.819 18.429 20.581 1038 HB3 CYS 161 3HB CYS 161 9.222 18.408 19.518 1039 H TYR 162 H TYR 162 7.375 16.793 21.621 1040 HA TYR 162 HA TYR 162 4.970 15.191 21.500 1041 HB2 TYR 162 2HB TYR 162 5.052 15.290 23.960 1042 HB3 TYR 162 3HB TYR 162 6.592 14.777 23.278 1043 HD1 TYR 162 HD1 TYR 162 4.846 17.376 25.142 1044 HD2 TYR 162 HD2 TYR 162 8.534 16.280 23.325 1045 HE1 TYR 162 HE1 TYR 162 5.985 19.162 26.392 1046 HE2 TYR 162 HE2 TYR 162 9.684 18.062 24.571 1047 HH TYR 162 HH TYR 162 9.427 19.425 26.494 1048 H HIS 163 H HIS 163 2.982 15.974 21.361 1049 HA HIS 163 HA HIS 163 2.546 18.825 21.911 1050 HB2 HIS 163 2HB HIS 163 1.820 17.262 19.738 1051 HB3 HIS 163 3HB HIS 163 0.326 17.408 20.660 1052 HD1 HIS 163 HD1 HIS 163 2.950 20.107 20.274 1053 HD2 HIS 163 HD2 HIS 163 -0.957 19.278 19.132 1054 HE1 HIS 163 HE1 HIS 163 2.101 22.217 19.202 1055 H SER 164 H SER 164 0.436 15.958 22.035 1056 HA SER 164 HA SER 164 -0.084 16.373 24.853 1057 HB2 SER 164 2HB SER 164 -2.368 16.908 24.712 1058 HB3 SER 164 3HB SER 164 -1.628 17.924 23.474 1059 HG SER 164 HG SER 164 -2.154 16.007 22.052 1060 H TYR 165 H TYR 165 -2.518 14.896 24.898 1061 HA TYR 165 HA TYR 165 -1.451 12.233 24.281 1062 HB2 TYR 165 2HB TYR 165 -2.966 11.382 25.961 1063 HB3 TYR 165 3HB TYR 165 -2.073 12.738 26.639 1064 HD1 TYR 165 HD1 TYR 165 -5.340 11.467 25.699 1065 HD2 TYR 165 HD2 TYR 165 -3.202 14.918 26.973 1066 HE1 TYR 165 HE1 TYR 165 -7.462 12.546 26.317 1067 HE2 TYR 165 HE2 TYR 165 -5.318 16.006 27.595 1068 HH TYR 165 HH TYR 165 -8.358 14.277 27.547 1069 H GLU 166 H GLU 166 -2.332 11.010 22.746 1070 HA GLU 166 HA GLU 166 -5.100 11.048 22.090 1071 HB2 GLU 166 2HB GLU 166 -3.594 13.035 20.834 1072 HB3 GLU 166 3HB GLU 166 -3.745 11.767 19.626 1073 HG2 GLU 166 2HG GLU 166 -5.966 12.073 19.376 1074 HG3 GLU 166 3HG GLU 166 -6.211 12.500 21.068 1075 H GLU 167 H GLU 167 -5.516 9.004 21.616 1076 HA GLU 167 HA GLU 167 -3.616 7.033 21.170 1077 HB2 GLU 167 2HB GLU 167 -5.568 5.677 20.285 1078 HB3 GLU 167 3HB GLU 167 -5.764 6.353 21.896 1079 HG2 GLU 167 2HG GLU 167 -6.746 8.205 19.950 1080 HG3 GLU 167 3HG GLU 167 -7.473 6.620 19.691 1081 H ASP 168 H ASP 168 -2.147 7.595 19.579 1082 HA ASP 168 HA ASP 168 -2.995 7.021 16.874 1083 HB2 ASP 168 2HB ASP 168 -2.944 9.681 17.642 1084 HB3 ASP 168 3HB ASP 168 -1.377 9.452 16.871 1085 H GLY 169 H GLY 169 -0.826 7.631 15.432 1086 HA2 GLY 169 2HA GLY 169 1.637 7.034 16.768 1087 HA3 GLY 169 3HA GLY 169 0.991 5.636 15.922 1088 H VAL 170 H VAL 170 3.453 6.774 15.280 1089 HA VAL 170 HA VAL 170 3.506 8.675 13.273 1090 HB VAL 170 HB VAL 170 5.468 7.005 12.425 1091 HG11 VAL 170 1HG1 VAL 170 6.974 8.319 13.770 1092 HG12 VAL 170 2HG1 VAL 170 5.661 9.352 13.200 1093 HG13 VAL 170 3HG1 VAL 170 5.666 8.767 14.864 1094 HG21 VAL 170 1HG2 VAL 170 6.353 5.690 14.136 1095 HG22 VAL 170 2HG2 VAL 170 5.384 6.483 15.378 1096 HG23 VAL 170 3HG2 VAL 170 4.619 5.382 14.232 1097 H THR 171 H THR 171 2.207 8.693 11.551 1098 HA THR 171 HA THR 171 2.202 6.336 9.804 1099 HB THR 171 HB THR 171 -0.310 7.235 9.360 1100 HG1 THR 171 HG1 THR 171 0.218 8.575 11.425 1101 HG21 THR 171 1HG2 THR 171 0.804 4.922 10.186 1102 HG22 THR 171 2HG2 THR 171 -0.937 5.182 10.083 1103 HG23 THR 171 3HG2 THR 171 -0.109 5.357 11.630 1104 H LYS 172 H LYS 172 3.686 7.509 8.505 1105 HA LYS 172 HA LYS 172 2.417 9.154 6.534 1106 HB2 LYS 172 2HB LYS 172 3.653 10.458 8.738 1107 HB3 LYS 172 3HB LYS 172 4.673 10.717 7.329 1108 HG2 LYS 172 2HG LYS 172 3.108 11.967 6.248 1109 HG3 LYS 172 3HG LYS 172 1.752 11.142 7.022 1110 HD2 LYS 172 2HD LYS 172 1.899 13.412 7.844 1111 HD3 LYS 172 3HD LYS 172 2.310 12.286 9.140 1112 HE2 LYS 172 2HE LYS 172 4.480 12.949 9.211 1113 HE3 LYS 172 3HE LYS 172 4.548 13.281 7.481 1114 HZ1 LYS 172 1HZ LYS 172 4.618 15.384 8.322 1115 HZ2 LYS 172 2HZ LYS 172 3.669 15.016 9.672 1116 HZ3 LYS 172 3HZ LYS 172 2.943 15.212 8.157 1117 H SER 173 H SER 173 4.319 10.112 5.057 1118 HA SER 173 HA SER 173 6.405 8.057 4.803 1119 HB2 SER 173 2HB SER 173 6.078 8.173 2.307 1120 HB3 SER 173 3HB SER 173 4.741 7.432 3.186 1121 HG SER 173 HG SER 173 4.640 10.184 2.725 1122 H ASP 174 H ASP 174 8.042 9.370 5.507 1123 HA ASP 174 HA ASP 174 8.483 12.030 5.047 1124 HB2 ASP 174 2HB ASP 174 9.916 10.783 6.532 1125 HB3 ASP 174 3HB ASP 174 10.507 9.791 5.203 1126 H CYS 175 H CYS 175 9.861 9.400 3.066 1127 HA CYS 175 HA CYS 175 9.266 10.524 0.590 1128 HB2 CYS 175 2HB CYS 175 11.230 12.021 1.825 1129 HB3 CYS 175 3HB CYS 175 12.155 10.938 0.792 1130 HG CYS 175 HG CYS 175 11.873 13.280 -0.625 1131 H ASP 176 H ASP 176 11.451 9.795 -0.944 1132 HA ASP 176 HA ASP 176 11.902 6.974 -0.238 1133 HB2 ASP 176 2HB ASP 176 11.643 6.445 -2.689 1134 HB3 ASP 176 3HB ASP 176 10.156 6.913 -1.870 1135 H CYS 177 H CYS 177 13.628 9.285 0.066 1136 HA CYS 177 HA CYS 177 15.784 8.510 -1.787 1137 HB2 CYS 177 2HB CYS 177 14.654 10.981 -1.697 1138 HB3 CYS 177 3HB CYS 177 15.959 11.178 -0.534 1139 HG CYS 177 HG CYS 177 17.998 10.599 -2.294 1140 H GLU 178 H GLU 178 17.990 9.320 -0.798 1141 HA GLU 178 HA GLU 178 18.657 7.709 1.311 1142 HB2 GLU 178 2HB GLU 178 20.125 9.174 -0.297 1143 HB3 GLU 178 3HB GLU 178 20.055 10.340 1.017 1144 HG2 GLU 178 2HG GLU 178 20.842 7.535 1.622 1145 HG3 GLU 178 3HG GLU 178 22.008 8.608 0.849 1146 H HIS 179 H HIS 179 17.588 7.672 3.193 1147 HA HIS 179 HA HIS 179 16.773 10.138 4.491 1148 HB2 HIS 179 2HB HIS 179 16.248 7.227 4.932 1149 HB3 HIS 179 3HB HIS 179 16.008 8.345 6.272 1150 HD1 HIS 179 HD1 HIS 179 15.192 10.045 3.209 1151 HD2 HIS 179 HD2 HIS 179 13.234 7.398 5.743 1152 HE1 HIS 179 HE1 HIS 179 12.748 10.275 2.663 1153 H SER 180 H SER 180 18.301 7.233 5.865 1154 HA SER 180 HA SER 180 19.959 6.966 7.399 1155 HB2 SER 180 2HB SER 180 21.170 8.272 5.511 1156 HB3 SER 180 3HB SER 180 21.077 9.646 6.612 1157 HG SER 180 HG SER 180 22.815 7.634 6.628 1158 HA PRO 181 HA PRO 181 17.710 9.936 10.223 1159 HB2 PRO 181 2HB PRO 181 16.574 8.014 11.766 1160 HB3 PRO 181 3HB PRO 181 15.818 8.635 10.294 1161 HG2 PRO 181 2HG PRO 181 17.400 6.126 10.698 1162 HG3 PRO 181 3HG PRO 181 15.901 6.368 9.782 1163 HD2 PRO 181 2HD PRO 181 18.329 6.228 8.592 1164 HD3 PRO 181 3HD PRO 181 17.010 7.229 7.953 1165 H GLY 182 H GLY 182 18.480 10.583 12.188 1166 HA2 GLY 182 2HA GLY 182 20.440 8.803 13.502 1167 HA3 GLY 182 3HA GLY 182 20.742 10.520 13.281 1168 HA PRO 183 HA PRO 183 18.468 9.508 17.348 1169 HB2 PRO 183 2HB PRO 183 20.566 9.732 19.056 1170 HB3 PRO 183 3HB PRO 183 20.090 8.199 18.317 1171 HG2 PRO 183 2HG PRO 183 22.272 10.088 17.522 1172 HG3 PRO 183 3HG PRO 183 22.303 8.317 17.614 1173 HD2 PRO 183 2HD PRO 183 22.001 9.649 15.276 1174 HD3 PRO 183 3HD PRO 183 21.254 8.067 15.577 1175 H SER 184 H SER 184 17.954 11.065 18.937 1176 HA SER 184 HA SER 184 19.031 13.753 18.387 1177 HB2 SER 184 2HB SER 184 16.869 14.171 17.846 1178 HB3 SER 184 3HB SER 184 16.276 12.755 18.713 1179 HG SER 184 HG SER 184 17.026 15.251 19.839 1180 H GLU 185 H GLU 185 17.953 11.498 20.863 1181 HA GLU 185 HA GLU 185 18.236 13.143 23.106 1182 HB2 GLU 185 2HB GLU 185 17.612 10.460 22.622 1183 HB3 GLU 185 3HB GLU 185 19.035 10.413 23.653 1184 HG2 GLU 185 2HG GLU 185 16.772 12.201 24.389 1185 HG3 GLU 185 3HG GLU 185 16.634 10.468 24.678 Start of MODEL 3 1 H1 MET 1 H MET 1 0.847 -7.123 3.057 2 HA MET 1 HA MET 1 -0.465 -9.283 2.589 3 HB2 MET 1 2HB MET 1 1.012 -7.562 0.785 4 HB3 MET 1 3HB MET 1 0.869 -9.190 0.135 5 HG2 MET 1 2HG MET 1 -1.611 -8.112 1.253 6 HG3 MET 1 3HG MET 1 -0.985 -7.228 -0.137 7 HE1 MET 1 1HE MET 1 -2.786 -7.454 -1.367 8 HE2 MET 1 2HE MET 1 -2.797 -8.662 -2.652 9 HE3 MET 1 3HE MET 1 -3.880 -8.834 -1.271 10 H ALA 2 H ALA 2 0.205 -11.109 0.802 11 HA ALA 2 HA ALA 2 1.849 -12.919 2.272 12 HB1 ALA 2 1HB ALA 2 1.338 -13.793 -0.425 13 HB2 ALA 2 2HB ALA 2 0.747 -14.452 1.101 14 HB3 ALA 2 3HB ALA 2 -0.124 -13.137 0.312 15 H HIS 3 H HIS 3 3.841 -13.802 1.722 16 HA HIS 3 HA HIS 3 5.592 -12.034 0.268 17 HB2 HIS 3 2HB HIS 3 6.315 -13.110 2.368 18 HB3 HIS 3 3HB HIS 3 6.179 -14.688 1.598 19 HD1 HIS 3 HD1 HIS 3 7.821 -14.964 -0.590 20 HD2 HIS 3 HD2 HIS 3 8.781 -12.008 2.168 21 HE1 HIS 3 HE1 HIS 3 10.236 -14.406 -1.015 22 H GLU 4 H GLU 4 5.320 -12.114 -1.897 23 HA GLU 4 HA GLU 4 5.240 -14.741 -3.203 24 HB2 GLU 4 2HB GLU 4 4.497 -11.978 -4.156 25 HB3 GLU 4 3HB GLU 4 4.616 -13.355 -5.242 26 HG2 GLU 4 2HG GLU 4 2.803 -14.444 -4.251 27 HG3 GLU 4 3HG GLU 4 2.864 -13.425 -2.814 28 H GLU 5 H GLU 5 6.397 -14.830 -5.362 29 HA GLU 5 HA GLU 5 9.160 -14.265 -4.924 30 HB2 GLU 5 2HB GLU 5 9.451 -15.232 -7.211 31 HB3 GLU 5 3HB GLU 5 8.582 -16.275 -6.095 32 HG2 GLU 5 2HG GLU 5 6.894 -14.501 -7.714 33 HG3 GLU 5 3HG GLU 5 7.786 -15.726 -8.615 34 H ASP 6 H ASP 6 10.466 -13.296 -6.818 35 HA ASP 6 HA ASP 6 11.056 -11.472 -8.045 36 HB2 ASP 6 2HB ASP 6 8.513 -12.151 -8.954 37 HB3 ASP 6 3HB ASP 6 8.408 -10.423 -8.633 38 H GLY 7 H GLY 7 11.114 -9.120 -7.984 39 HA2 GLY 7 2HA GLY 7 10.990 -8.110 -5.363 40 HA3 GLY 7 3HA GLY 7 11.224 -7.149 -6.815 41 H VAL 8 H VAL 8 9.336 -7.416 -4.198 42 HA VAL 8 HA VAL 8 7.178 -5.931 -5.459 43 HB VAL 8 HB VAL 8 6.623 -8.430 -3.853 44 HG11 VAL 8 1HG1 VAL 8 4.999 -6.731 -3.336 45 HG12 VAL 8 2HG1 VAL 8 4.760 -6.382 -5.049 46 HG13 VAL 8 3HG1 VAL 8 4.252 -7.936 -4.385 47 HG21 VAL 8 1HG2 VAL 8 7.224 -9.121 -6.022 48 HG22 VAL 8 2HG2 VAL 8 5.461 -9.101 -6.013 49 HG23 VAL 8 3HG2 VAL 8 6.353 -7.785 -6.777 50 H CYS 9 H CYS 9 7.733 -4.139 -4.269 51 HA CYS 9 HA CYS 9 7.113 -4.295 -1.408 52 HB2 CYS 9 2HB CYS 9 9.593 -3.107 -2.641 53 HB3 CYS 9 3HB CYS 9 9.016 -2.611 -1.055 54 HG CYS 9 HG CYS 9 9.939 -5.796 -1.906 55 H ASN 10 H ASN 10 6.568 -2.209 -0.456 56 HA ASN 10 HA ASN 10 5.034 -0.608 -2.322 57 HB2 ASN 10 2HB ASN 10 5.258 -0.587 0.692 58 HB3 ASN 10 3HB ASN 10 4.258 0.547 -0.211 59 HD21 ASN 10 1HD2 ASN 10 4.878 -2.950 -0.286 60 HD22 ASN 10 2HD2 ASN 10 3.214 -3.414 -0.297 61 H SER 11 H SER 11 8.130 -0.536 -1.048 62 HA SER 11 HA SER 11 8.637 2.118 -0.462 63 HB2 SER 11 2HB SER 11 10.177 -0.087 -0.584 64 HB3 SER 11 3HB SER 11 10.702 0.711 -2.066 65 HG SER 11 HG SER 11 11.665 1.214 0.209 66 H ASN 12 H ASN 12 7.804 0.707 -3.467 67 HA ASN 12 HA ASN 12 9.020 2.494 -5.258 68 HB2 ASN 12 2HB ASN 12 6.726 0.605 -5.367 69 HB3 ASN 12 3HB ASN 12 6.810 1.837 -6.622 70 HD21 ASN 12 1HD2 ASN 12 8.394 -0.921 -5.200 71 HD22 ASN 12 2HD2 ASN 12 9.451 -1.247 -6.528 72 H ALA 13 H ALA 13 6.400 2.900 -3.086 73 HA ALA 13 HA ALA 13 6.215 5.664 -3.487 74 HB1 ALA 13 1HB ALA 13 4.965 5.778 -5.331 75 HB2 ALA 13 2HB ALA 13 4.565 4.061 -5.269 76 HB3 ALA 13 3HB ALA 13 3.631 5.218 -4.321 77 HA PRO 14 HA PRO 14 2.567 4.280 -0.650 78 HB2 PRO 14 2HB PRO 14 2.012 1.626 -0.515 79 HB3 PRO 14 3HB PRO 14 1.271 2.703 -1.705 80 HG2 PRO 14 2HG PRO 14 3.583 0.829 -2.027 81 HG3 PRO 14 3HG PRO 14 2.221 1.124 -3.124 82 HD2 PRO 14 2HD PRO 14 4.665 2.224 -3.508 83 HD3 PRO 14 3HD PRO 14 3.164 3.045 -3.980 84 H CYS 15 H CYS 15 2.337 2.501 1.303 85 HA CYS 15 HA CYS 15 5.050 2.320 2.432 86 HB2 CYS 15 2HB CYS 15 2.379 2.630 3.816 87 HB3 CYS 15 3HB CYS 15 3.907 2.387 4.653 88 HG CYS 15 HG CYS 15 4.885 4.812 3.170 89 H TYR 16 H TYR 16 5.846 0.381 2.921 90 HA TYR 16 HA TYR 16 4.147 -1.956 2.551 91 HB2 TYR 16 2HB TYR 16 6.422 -3.146 2.877 92 HB3 TYR 16 3HB TYR 16 6.166 -2.220 1.403 93 HD1 TYR 16 HD1 TYR 16 7.356 -0.135 1.019 94 HD2 TYR 16 HD2 TYR 16 7.974 -2.378 4.581 95 HE1 TYR 16 HE1 TYR 16 9.381 1.180 1.489 96 HE2 TYR 16 HE2 TYR 16 10.000 -1.069 5.062 97 HH TYR 16 HH TYR 16 11.721 0.315 3.445 98 H HIS 17 H HIS 17 3.028 -2.582 4.278 99 HA HIS 17 HA HIS 17 3.402 -1.960 6.912 100 HB2 HIS 17 2HB HIS 17 1.580 -3.436 5.600 101 HB3 HIS 17 3HB HIS 17 2.478 -4.732 6.385 102 HD1 HIS 17 HD1 HIS 17 2.347 -4.870 8.968 103 HD2 HIS 17 HD2 HIS 17 0.047 -1.837 7.302 104 HE1 HIS 17 HE1 HIS 17 0.819 -4.096 10.810 105 H CYS 18 H CYS 18 3.953 -3.560 8.715 106 HA CYS 18 HA CYS 18 5.751 -5.653 8.401 107 HB2 CYS 18 2HB CYS 18 7.873 -4.466 9.125 108 HB3 CYS 18 3HB CYS 18 7.366 -4.182 7.464 109 HG CYS 18 HG CYS 18 6.677 -1.995 10.000 110 H ASP 19 H ASP 19 7.503 -4.440 10.634 111 HA ASP 19 HA ASP 19 7.543 -4.384 12.910 112 HB2 ASP 19 2HB ASP 19 4.610 -3.770 12.521 113 HB3 ASP 19 3HB ASP 19 5.390 -3.796 14.100 114 H ALA 20 H ALA 20 4.592 -5.335 13.947 115 HA ALA 20 HA ALA 20 5.306 -7.715 15.067 116 HB1 ALA 20 1HB ALA 20 2.524 -7.502 14.033 117 HB2 ALA 20 2HB ALA 20 3.105 -8.010 15.619 118 HB3 ALA 20 3HB ALA 20 3.091 -6.299 15.191 119 H ASN 21 H ASN 21 4.099 -7.185 11.797 120 HA ASN 21 HA ASN 21 4.316 -10.051 11.231 121 HB2 ASN 21 2HB ASN 21 3.375 -9.111 8.928 122 HB3 ASN 21 3HB ASN 21 2.316 -9.410 10.304 123 HD21 ASN 21 1HD2 ASN 21 2.500 -7.372 11.900 124 HD22 ASN 21 2HD2 ASN 21 2.139 -5.875 11.115 125 H GLY 22 H GLY 22 5.755 -6.961 10.468 126 HA2 GLY 22 2HA GLY 22 7.215 -7.658 8.182 127 HA3 GLY 22 3HA GLY 22 7.667 -6.405 9.328 128 H GLU 23 H GLU 23 7.654 -8.614 11.455 129 HA GLU 23 HA GLU 23 10.356 -9.603 10.833 130 HB2 GLU 23 2HB GLU 23 9.034 -8.919 13.454 131 HB3 GLU 23 3HB GLU 23 10.522 -9.852 13.366 132 HG2 GLU 23 2HG GLU 23 11.130 -7.607 13.780 133 HG3 GLU 23 3HG GLU 23 11.538 -7.950 12.100 134 H ASN 24 H ASN 24 7.213 -10.486 12.161 135 HA ASN 24 HA ASN 24 7.885 -13.177 12.769 136 HB2 ASN 24 2HB ASN 24 5.374 -11.587 12.579 137 HB3 ASN 24 3HB ASN 24 5.231 -13.340 12.502 138 HD21 ASN 24 1HD2 ASN 24 5.020 -14.348 14.359 139 HD22 ASN 24 2HD2 ASN 24 5.498 -13.744 15.906 140 H CYS 25 H CYS 25 6.451 -11.595 9.955 141 HA CYS 25 HA CYS 25 7.062 -13.984 8.377 142 HB2 CYS 25 2HB CYS 25 4.632 -14.006 9.046 143 HB3 CYS 25 3HB CYS 25 4.431 -12.518 8.129 144 HG CYS 25 HG CYS 25 4.023 -15.480 7.048 145 H SER 26 H SER 26 8.689 -11.867 8.357 146 HA SER 26 HA SER 26 9.066 -9.766 7.209 147 HB2 SER 26 2HB SER 26 10.259 -10.581 5.126 148 HB3 SER 26 3HB SER 26 10.760 -11.351 6.632 149 HG SER 26 HG SER 26 9.901 -13.193 5.997 150 H CYS 27 H CYS 27 7.039 -8.766 6.869 151 HA CYS 27 HA CYS 27 5.823 -9.296 4.240 152 HB2 CYS 27 2HB CYS 27 4.687 -8.355 6.846 153 HB3 CYS 27 3HB CYS 27 3.900 -7.885 5.344 154 HG CYS 27 HG CYS 27 4.452 -11.121 6.316 155 H ASN 28 H ASN 28 4.909 -7.374 3.135 156 HA ASN 28 HA ASN 28 6.022 -4.798 3.816 157 HB2 ASN 28 2HB ASN 28 6.887 -6.227 1.293 158 HB3 ASN 28 3HB ASN 28 7.193 -4.528 1.640 159 HD21 ASN 28 1HD2 ASN 28 8.756 -3.967 3.110 160 HD22 ASN 28 2HD2 ASN 28 9.888 -5.101 3.756 161 H CYS 29 H CYS 29 3.649 -4.583 3.930 162 HA CYS 29 HA CYS 29 2.630 -3.219 1.702 163 HB2 CYS 29 2HB CYS 29 2.060 -5.042 0.463 164 HB3 CYS 29 3HB CYS 29 2.004 -6.107 1.862 165 HG CYS 29 HG CYS 29 -0.549 -6.085 2.181 166 H GLU 30 H GLU 30 1.687 -1.664 2.852 167 HA GLU 30 HA GLU 30 0.594 -1.977 5.421 168 HB2 GLU 30 2HB GLU 30 -0.110 0.280 5.255 169 HB3 GLU 30 3HB GLU 30 1.389 0.172 4.344 170 HG2 GLU 30 2HG GLU 30 -1.406 0.290 3.246 171 HG3 GLU 30 3HG GLU 30 -0.148 1.518 3.117 172 H LEU 31 H LEU 31 -0.953 -3.538 5.596 173 HA LEU 31 HA LEU 31 -3.600 -2.856 4.754 174 HB2 LEU 31 2HB LEU 31 -2.696 -3.895 2.704 175 HB3 LEU 31 3HB LEU 31 -2.365 -5.362 3.622 176 HG LEU 31 HG LEU 31 -4.867 -5.458 4.078 177 HD11 LEU 31 1HD1 LEU 31 -4.708 -3.049 2.455 178 HD12 LEU 31 2HD1 LEU 31 -6.010 -3.638 3.488 179 HD13 LEU 31 3HD1 LEU 31 -5.863 -4.226 1.832 180 HD21 LEU 31 1HD2 LEU 31 -4.322 -7.099 2.626 181 HD22 LEU 31 2HD2 LEU 31 -3.434 -6.012 1.558 182 HD23 LEU 31 3HD2 LEU 31 -5.195 -6.077 1.485 183 H PHE 32 H PHE 32 -4.650 -3.215 6.589 184 HA PHE 32 HA PHE 32 -3.793 -5.049 8.571 185 HB2 PHE 32 2HB PHE 32 -6.562 -3.871 8.367 186 HB3 PHE 32 3HB PHE 32 -5.698 -4.365 9.819 187 HD1 PHE 32 HD1 PHE 32 -3.091 -3.114 9.466 188 HD2 PHE 32 HD2 PHE 32 -6.980 -1.614 8.608 189 HE1 PHE 32 HE1 PHE 32 -2.264 -0.815 9.758 190 HE2 PHE 32 HE2 PHE 32 -6.160 0.688 8.897 191 HZ PHE 32 HZ PHE 32 -3.799 1.090 9.472 192 H ASP 33 H ASP 33 -3.660 -7.095 7.641 193 HA ASP 33 HA ASP 33 -6.262 -8.389 7.177 194 HB2 ASP 33 2HB ASP 33 -4.282 -7.992 5.233 195 HB3 ASP 33 3HB ASP 33 -4.131 -9.682 5.706 196 H CYS 34 H CYS 34 -6.078 -10.825 7.351 197 HA CYS 34 HA CYS 34 -3.940 -11.792 9.054 198 HB2 CYS 34 2HB CYS 34 -6.691 -12.250 10.120 199 HB3 CYS 34 3HB CYS 34 -5.152 -12.196 10.974 200 H GLU 35 H GLU 35 -3.509 -13.869 8.632 201 HA GLU 35 HA GLU 35 -5.418 -15.848 8.045 202 HB2 GLU 35 2HB GLU 35 -4.820 -14.199 5.840 203 HB3 GLU 35 3HB GLU 35 -3.966 -15.711 5.562 204 HG2 GLU 35 2HG GLU 35 -5.842 -16.805 5.089 205 HG3 GLU 35 3HG GLU 35 -6.690 -16.123 6.476 206 H ALA 36 H ALA 36 -4.372 -17.360 9.178 207 HA ALA 36 HA ALA 36 -1.555 -17.599 9.328 208 HB1 ALA 36 1HB ALA 36 -2.654 -18.461 11.174 209 HB2 ALA 36 2HB ALA 36 -3.846 -19.315 10.194 210 HB3 ALA 36 3HB ALA 36 -2.192 -19.918 10.294 211 H LYS 37 H LYS 37 -0.159 -18.539 7.993 212 HA LYS 37 HA LYS 37 -0.953 -20.789 6.344 213 HB2 LYS 37 2HB LYS 37 0.206 -18.323 5.041 214 HB3 LYS 37 3HB LYS 37 -0.319 -19.800 4.243 215 HG2 LYS 37 2HG LYS 37 -2.632 -19.326 4.952 216 HG3 LYS 37 3HG LYS 37 -2.077 -17.807 5.660 217 HD2 LYS 37 2HD LYS 37 -1.984 -16.787 3.665 218 HD3 LYS 37 3HD LYS 37 -1.233 -18.182 2.888 219 HE2 LYS 37 2HE LYS 37 -3.680 -19.176 3.205 220 HE3 LYS 37 3HE LYS 37 -4.100 -17.464 3.162 221 HZ1 LYS 37 1HZ LYS 37 -2.308 -17.906 1.091 222 HZ2 LYS 37 2HZ LYS 37 -3.959 -17.563 0.969 223 HZ3 LYS 37 3HZ LYS 37 -3.431 -19.169 1.019 224 H LYS 38 H LYS 38 1.240 -20.825 4.638 225 HA LYS 38 HA LYS 38 3.589 -20.723 6.386 226 HB2 LYS 38 2HB LYS 38 4.264 -22.993 5.587 227 HB3 LYS 38 3HB LYS 38 2.841 -22.992 6.621 228 HG2 LYS 38 2HG LYS 38 1.837 -24.206 5.063 229 HG3 LYS 38 3HG LYS 38 1.820 -22.757 4.054 230 HD2 LYS 38 2HD LYS 38 3.028 -23.942 2.594 231 HD3 LYS 38 3HD LYS 38 4.376 -23.731 3.715 232 HE2 LYS 38 2HE LYS 38 4.215 -25.861 4.524 233 HE3 LYS 38 3HE LYS 38 2.480 -25.959 4.226 234 HZ1 LYS 38 1HZ LYS 38 3.433 -27.381 2.667 235 HZ2 LYS 38 2HZ LYS 38 4.694 -26.316 2.303 236 HZ3 LYS 38 3HZ LYS 38 3.122 -25.974 1.780 237 HA PRO 39 HA PRO 39 5.015 -18.873 2.566 238 HB2 PRO 39 2HB PRO 39 7.406 -18.063 3.565 239 HB3 PRO 39 3HB PRO 39 5.894 -17.198 3.868 240 HG2 PRO 39 2HG PRO 39 7.349 -19.142 5.619 241 HG3 PRO 39 3HG PRO 39 6.573 -17.608 6.054 242 HD2 PRO 39 2HD PRO 39 5.397 -20.009 6.485 243 HD3 PRO 39 3HD PRO 39 4.467 -18.544 6.110 244 H ASP 40 H ASP 40 7.228 -20.795 4.603 245 HA ASP 40 HA ASP 40 7.724 -22.786 2.721 246 HB2 ASP 40 2HB ASP 40 8.923 -20.456 1.886 247 HB3 ASP 40 3HB ASP 40 10.232 -21.265 2.744 248 H GLY 41 H GLY 41 7.350 -22.471 5.533 249 HA2 GLY 41 2HA GLY 41 9.580 -24.084 6.442 250 HA3 GLY 41 3HA GLY 41 9.424 -22.528 7.246 251 H SER 42 H SER 42 6.862 -22.160 7.722 252 HA SER 42 HA SER 42 5.635 -24.572 8.763 253 HB2 SER 42 2HB SER 42 5.507 -22.845 10.969 254 HB3 SER 42 3HB SER 42 6.430 -24.343 10.848 255 HG SER 42 HG SER 42 8.222 -23.210 10.321 256 H TYR 43 H TYR 43 3.517 -24.012 9.886 257 HA TYR 43 HA TYR 43 2.057 -22.231 8.159 258 HB2 TYR 43 2HB TYR 43 1.397 -24.544 9.416 259 HB3 TYR 43 3HB TYR 43 0.684 -23.368 10.515 260 HD1 TYR 43 HD1 TYR 43 -1.552 -22.981 10.156 261 HD2 TYR 43 HD2 TYR 43 0.936 -23.795 6.803 262 HE1 TYR 43 HE1 TYR 43 -3.498 -22.764 8.668 263 HE2 TYR 43 HE2 TYR 43 -1.003 -23.579 5.305 264 HH TYR 43 HH TYR 43 -4.244 -22.882 6.583 265 H ALA 44 H ALA 44 0.102 -21.163 9.701 266 HA ALA 44 HA ALA 44 -0.446 -19.484 11.153 267 HB1 ALA 44 1HB ALA 44 2.288 -19.670 12.379 268 HB2 ALA 44 2HB ALA 44 0.781 -19.127 13.118 269 HB3 ALA 44 3HB ALA 44 1.016 -20.835 12.748 270 H HIS 45 H HIS 45 -0.301 -17.251 11.133 271 HA HIS 45 HA HIS 45 2.048 -15.946 10.061 272 HB2 HIS 45 2HB HIS 45 1.218 -16.270 7.940 273 HB3 HIS 45 3HB HIS 45 -0.456 -16.314 8.485 274 HD1 HIS 45 HD1 HIS 45 -1.773 -14.178 8.333 275 HD2 HIS 45 HD2 HIS 45 2.291 -13.605 7.690 276 HE1 HIS 45 HE1 HIS 45 -1.545 -11.799 7.548 277 HA PRO 46 HA PRO 46 0.601 -12.844 12.837 278 HB2 PRO 46 2HB PRO 46 2.142 -10.783 11.971 279 HB3 PRO 46 3HB PRO 46 2.783 -12.127 12.924 280 HG2 PRO 46 2HG PRO 46 2.890 -11.681 9.966 281 HG3 PRO 46 3HG PRO 46 4.163 -12.258 11.057 282 HD2 PRO 46 2HD PRO 46 2.712 -13.930 9.496 283 HD3 PRO 46 3HD PRO 46 3.334 -14.409 11.089 284 H CYS 47 H CYS 47 -0.542 -10.828 12.877 285 HA CYS 47 HA CYS 47 -1.373 -9.610 10.398 286 HB2 CYS 47 2HB CYS 47 -3.214 -10.856 10.108 287 HB3 CYS 47 3HB CYS 47 -3.001 -11.647 11.667 288 H ARG 48 H ARG 48 -2.682 -7.689 10.737 289 HA ARG 48 HA ARG 48 -1.889 -6.307 13.139 290 HB2 ARG 48 2HB ARG 48 -2.191 -5.461 10.618 291 HB3 ARG 48 3HB ARG 48 -3.793 -5.064 11.225 292 HG2 ARG 48 2HG ARG 48 -1.257 -4.170 12.568 293 HG3 ARG 48 3HG ARG 48 -2.094 -3.221 11.338 294 HD2 ARG 48 2HD ARG 48 -3.292 -4.159 13.942 295 HD3 ARG 48 3HD ARG 48 -2.691 -2.532 13.624 296 HE ARG 48 HE ARG 48 -4.638 -3.287 11.705 297 HH11 ARG 48 1HH1 ARG 48 -4.275 -2.245 15.007 298 HH12 ARG 48 2HH1 ARG 48 -5.847 -1.522 15.089 299 HH21 ARG 48 1HH2 ARG 48 -6.711 -2.339 11.800 300 HH22 ARG 48 2HH2 ARG 48 -7.232 -1.577 13.265 301 H ARG 49 H ARG 49 -3.356 -8.199 14.152 302 HA ARG 49 HA ARG 49 -5.419 -6.925 15.531 303 HB2 ARG 49 2HB ARG 49 -6.240 -7.741 12.971 304 HB3 ARG 49 3HB ARG 49 -6.915 -8.924 14.083 305 HG2 ARG 49 2HG ARG 49 -7.335 -6.348 15.191 306 HG3 ARG 49 3HG ARG 49 -7.837 -6.310 13.499 307 HD2 ARG 49 2HD ARG 49 -8.670 -8.576 15.264 308 HD3 ARG 49 3HD ARG 49 -9.529 -7.038 15.337 309 HE ARG 49 HE ARG 49 -9.379 -7.742 12.663 310 HH11 ARG 49 1HH1 ARG 49 -10.771 -9.016 15.588 311 HH12 ARG 49 2HH1 ARG 49 -12.086 -9.799 14.776 312 HH21 ARG 49 1HH2 ARG 49 -11.107 -8.768 11.582 313 HH22 ARG 49 2HH2 ARG 49 -12.276 -9.657 12.498 314 H CYS 50 H CYS 50 -5.957 -8.078 17.317 315 HA CYS 50 HA CYS 50 -4.648 -9.860 18.601 316 HB2 CYS 50 2HB CYS 50 -7.077 -11.172 18.826 317 HB3 CYS 50 3HB CYS 50 -6.557 -9.788 19.780 318 HG CYS 50 HG CYS 50 -7.826 -7.891 18.217 319 H ASP 51 H ASP 51 -3.273 -11.171 17.446 320 HA ASP 51 HA ASP 51 -3.951 -13.796 16.989 321 HB2 ASP 51 2HB ASP 51 -5.358 -13.296 15.170 322 HB3 ASP 51 3HB ASP 51 -4.256 -12.075 14.540 323 H ALA 52 H ALA 52 -2.089 -14.861 17.072 324 HA ALA 52 HA ALA 52 0.313 -13.591 15.932 325 HB1 ALA 52 1HB ALA 52 1.462 -14.919 17.900 326 HB2 ALA 52 2HB ALA 52 0.800 -13.303 18.145 327 HB3 ALA 52 3HB ALA 52 -0.123 -14.719 18.648 328 H ASN 53 H ASN 53 2.086 -15.150 15.499 329 HA ASN 53 HA ASN 53 1.098 -17.855 14.910 330 HB2 ASN 53 2HB ASN 53 2.244 -17.809 12.741 331 HB3 ASN 53 3HB ASN 53 1.026 -16.541 12.835 332 HD21 ASN 53 1HD2 ASN 53 2.043 -14.460 13.909 333 HD22 ASN 53 2HD2 ASN 53 3.505 -13.933 13.154 334 H ASN 54 H ASN 54 2.229 -18.780 16.593 335 HA ASN 54 HA ASN 54 5.106 -18.333 16.770 336 HB2 ASN 54 2HB ASN 54 3.806 -20.311 18.552 337 HB3 ASN 54 3HB ASN 54 4.980 -19.054 18.929 338 HD21 ASN 54 1HD2 ASN 54 1.598 -19.502 17.993 339 HD22 ASN 54 2HD2 ASN 54 0.984 -18.182 18.924 340 H ILE 55 H ILE 55 6.193 -19.440 15.251 341 HA ILE 55 HA ILE 55 5.800 -22.351 15.170 342 HB ILE 55 HB ILE 55 5.959 -22.463 12.812 343 HG12 ILE 55 2HG1 ILE 55 6.633 -19.523 12.943 344 HG13 ILE 55 3HG1 ILE 55 7.642 -20.833 12.340 345 HG21 ILE 55 1HG2 ILE 55 3.863 -21.175 14.081 346 HG22 ILE 55 2HG2 ILE 55 4.190 -20.174 12.667 347 HG23 ILE 55 3HG2 ILE 55 3.835 -21.890 12.469 348 HD11 ILE 55 1HD1 ILE 55 5.322 -20.930 10.801 349 HD12 ILE 55 2HD1 ILE 55 5.719 -19.218 10.953 350 HD13 ILE 55 3HD1 ILE 55 6.913 -20.347 10.312 351 H CYS 56 H CYS 56 7.633 -23.523 15.215 352 HA CYS 56 HA CYS 56 10.183 -22.087 14.876 353 HB2 CYS 56 2HB CYS 56 9.684 -22.594 17.261 354 HB3 CYS 56 3HB CYS 56 9.627 -24.305 16.855 355 HG CYS 56 HG CYS 56 12.423 -22.411 16.335 356 H LYS 57 H LYS 57 10.776 -22.769 12.886 357 HA LYS 57 HA LYS 57 10.592 -24.519 11.165 358 HB2 LYS 57 2HB LYS 57 13.135 -24.297 12.742 359 HB3 LYS 57 3HB LYS 57 13.033 -25.407 11.382 360 HG2 LYS 57 2HG LYS 57 12.057 -22.731 10.762 361 HG3 LYS 57 3HG LYS 57 13.753 -22.771 11.249 362 HD2 LYS 57 2HD LYS 57 13.998 -23.165 9.014 363 HD3 LYS 57 3HD LYS 57 13.801 -24.827 9.576 364 HE2 LYS 57 2HE LYS 57 11.344 -23.314 8.892 365 HE3 LYS 57 3HE LYS 57 12.384 -23.810 7.559 366 HZ1 LYS 57 1HZ LYS 57 12.114 -25.993 9.267 367 HZ2 LYS 57 2HZ LYS 57 11.505 -25.821 7.699 368 HZ3 LYS 57 3HZ LYS 57 10.561 -25.365 9.026 369 H CYS 58 H CYS 58 9.010 -25.644 13.063 370 HA CYS 58 HA CYS 58 9.772 -28.423 12.871 371 HB2 CYS 58 2HB CYS 58 10.830 -27.682 14.996 372 HB3 CYS 58 3HB CYS 58 9.243 -27.210 15.591 373 HG CYS 58 HG CYS 58 10.509 -30.327 15.143 374 H SER 59 H SER 59 7.478 -26.185 14.426 375 HA SER 59 HA SER 59 5.286 -27.767 13.273 376 HB2 SER 59 2HB SER 59 5.102 -26.587 16.041 377 HB3 SER 59 3HB SER 59 4.052 -27.789 15.290 378 HG SER 59 HG SER 59 6.795 -28.274 15.781 379 H CYS 60 H CYS 60 3.399 -26.011 14.791 380 HA CYS 60 HA CYS 60 3.817 -23.322 14.002 381 HB2 CYS 60 2HB CYS 60 1.848 -23.381 12.309 382 HB3 CYS 60 3HB CYS 60 3.449 -23.868 11.767 383 HG CYS 60 HG CYS 60 2.957 -26.564 11.755 384 H THR 61 H THR 61 2.433 -22.000 15.053 385 HA THR 61 HA THR 61 -0.064 -23.110 16.112 386 HB THR 61 HB THR 61 0.326 -22.336 18.339 387 HG1 THR 61 HG1 THR 61 2.474 -21.005 17.136 388 HG21 THR 61 1HG2 THR 61 2.754 -23.800 17.299 389 HG22 THR 61 2HG2 THR 61 1.261 -24.522 17.898 390 HG23 THR 61 3HG2 THR 61 2.324 -23.649 19.002 391 H ALA 62 H ALA 62 -1.337 -21.819 14.844 392 HA ALA 62 HA ALA 62 -0.942 -18.912 15.033 393 HB1 ALA 62 1HB ALA 62 -1.486 -20.573 12.844 394 HB2 ALA 62 2HB ALA 62 -2.968 -19.664 13.143 395 HB3 ALA 62 3HB ALA 62 -1.449 -18.810 12.874 396 H ILE 63 H ILE 63 -2.158 -17.906 16.482 397 HA ILE 63 HA ILE 63 -4.960 -18.713 16.791 398 HB ILE 63 HB ILE 63 -4.460 -18.007 19.330 399 HG12 ILE 63 2HG1 ILE 63 -1.949 -17.912 18.540 400 HG13 ILE 63 3HG1 ILE 63 -2.363 -18.574 20.118 401 HG21 ILE 63 1HG2 ILE 63 -5.632 -19.977 18.913 402 HG22 ILE 63 2HG2 ILE 63 -4.306 -20.682 17.990 403 HG23 ILE 63 3HG2 ILE 63 -4.177 -20.529 19.742 404 HD11 ILE 63 1HD1 ILE 63 -0.718 -19.817 18.500 405 HD12 ILE 63 2HD1 ILE 63 -1.861 -20.710 19.504 406 HD13 ILE 63 3HD1 ILE 63 -2.219 -20.425 17.801 407 HA PRO 64 HA PRO 64 -5.902 -14.427 16.750 408 HB2 PRO 64 2HB PRO 64 -7.929 -14.253 18.547 409 HB3 PRO 64 3HB PRO 64 -8.116 -15.007 16.959 410 HG2 PRO 64 2HG PRO 64 -7.663 -16.292 19.624 411 HG3 PRO 64 3HG PRO 64 -8.770 -16.772 18.325 412 HD2 PRO 64 2HD PRO 64 -6.383 -17.985 18.727 413 HD3 PRO 64 3HD PRO 64 -7.102 -17.804 17.114 414 H CYS 65 H CYS 65 -7.055 -13.043 19.041 415 HA CYS 65 HA CYS 65 -5.078 -11.605 20.070 416 HB2 CYS 65 2HB CYS 65 -7.561 -11.497 20.657 417 HB3 CYS 65 3HB CYS 65 -7.205 -12.657 21.930 418 HG CYS 65 HG CYS 65 -5.194 -10.850 23.027 419 H ASN 66 H ASN 66 -3.108 -12.379 20.565 420 HA ASN 66 HA ASN 66 -2.776 -14.782 22.129 421 HB2 ASN 66 2HB ASN 66 -0.302 -13.454 21.932 422 HB3 ASN 66 3HB ASN 66 -0.863 -14.817 20.967 423 HD21 ASN 66 1HD2 ASN 66 -2.811 -13.707 19.445 424 HD22 ASN 66 2HD2 ASN 66 -2.139 -12.504 18.402 425 H GLU 67 H GLU 67 -4.122 -12.457 23.344 426 HA GLU 67 HA GLU 67 -2.576 -11.013 25.112 427 HB2 GLU 67 2HB GLU 67 -4.626 -10.248 25.550 428 HB3 GLU 67 3HB GLU 67 -5.358 -11.671 24.821 429 HG2 GLU 67 2HG GLU 67 -5.221 -12.864 26.913 430 HG3 GLU 67 3HG GLU 67 -4.371 -11.513 27.660 431 H ASP 68 H ASP 68 -3.678 -14.338 25.350 432 HA ASP 68 HA ASP 68 -2.500 -14.615 28.007 433 HB2 ASP 68 2HB ASP 68 -4.757 -15.610 27.386 434 HB3 ASP 68 3HB ASP 68 -3.872 -16.765 26.394 435 H HIS 69 H HIS 69 -0.650 -14.055 26.010 436 HA HIS 69 HA HIS 69 0.939 -16.509 26.075 437 HB2 HIS 69 2HB HIS 69 0.450 -14.867 23.582 438 HB3 HIS 69 3HB HIS 69 1.665 -16.134 23.720 439 HD1 HIS 69 HD1 HIS 69 -2.002 -15.591 23.342 440 HD2 HIS 69 HD2 HIS 69 0.657 -18.762 23.718 441 HE1 HIS 69 HE1 HIS 69 -3.318 -17.647 22.739 442 HA PRO 70 HA PRO 70 4.426 -13.968 26.892 443 HB2 PRO 70 2HB PRO 70 6.339 -14.763 25.138 444 HB3 PRO 70 3HB PRO 70 5.807 -15.761 26.496 445 HG2 PRO 70 2HG PRO 70 5.012 -15.905 23.614 446 HG3 PRO 70 3HG PRO 70 5.400 -17.223 24.735 447 HD2 PRO 70 2HD PRO 70 2.854 -16.540 24.115 448 HD3 PRO 70 3HD PRO 70 3.310 -17.181 25.706 449 H CYS 71 H CYS 71 3.059 -13.816 23.749 450 HA CYS 71 HA CYS 71 3.914 -11.060 23.475 451 HB2 CYS 71 2HB CYS 71 4.609 -11.490 21.063 452 HB3 CYS 71 3HB CYS 71 5.729 -12.033 22.306 453 HG CYS 71 HG CYS 71 5.322 -13.794 19.964 454 H HIS 72 H HIS 72 1.893 -10.251 23.453 455 HA HIS 72 HA HIS 72 -0.229 -11.517 21.960 456 HB2 HIS 72 2HB HIS 72 -0.689 -8.785 22.948 457 HB3 HIS 72 3HB HIS 72 -1.634 -10.250 23.201 458 HD1 HIS 72 HD1 HIS 72 -0.431 -11.969 25.019 459 HD2 HIS 72 HD2 HIS 72 0.571 -7.940 25.183 460 HE1 HIS 72 HE1 HIS 72 0.544 -11.612 27.309 461 H HIS 73 H HIS 73 -1.538 -10.295 20.387 462 HA HIS 73 HA HIS 73 -0.186 -9.555 18.144 463 HB2 HIS 73 2HB HIS 73 -2.213 -8.978 17.251 464 HB3 HIS 73 3HB HIS 73 -2.782 -9.821 18.689 465 HD1 HIS 73 HD1 HIS 73 -2.282 -6.339 17.335 466 HD2 HIS 73 HD2 HIS 73 -4.181 -8.269 20.486 467 HE1 HIS 73 HE1 HIS 73 -3.721 -4.589 18.426 468 H CYS 74 H CYS 74 -0.128 -7.379 17.058 469 HA CYS 74 HA CYS 74 1.552 -5.618 17.516 470 HB2 CYS 74 2HB CYS 74 -1.306 -4.627 17.597 471 HB3 CYS 74 3HB CYS 74 0.102 -3.658 17.179 472 HG CYS 74 HG CYS 74 -0.357 -6.434 15.331 473 H HIS 75 H HIS 75 2.679 -5.286 19.327 474 HA HIS 75 HA HIS 75 2.336 -5.431 21.871 475 HB2 HIS 75 2HB HIS 75 3.730 -3.551 22.318 476 HB3 HIS 75 3HB HIS 75 4.217 -4.170 20.743 477 HD1 HIS 75 HD1 HIS 75 1.843 -1.493 22.058 478 HD2 HIS 75 HD2 HIS 75 4.458 -2.208 18.909 479 HE1 HIS 75 HE1 HIS 75 1.844 0.618 20.692 480 H GLU 76 H GLU 76 0.939 -4.934 23.433 481 HA GLU 76 HA GLU 76 -0.904 -2.678 22.991 482 HB2 GLU 76 2HB GLU 76 -1.619 -5.247 24.407 483 HB3 GLU 76 3HB GLU 76 -2.702 -3.931 23.973 484 HG2 GLU 76 2HG GLU 76 -2.503 -4.435 21.651 485 HG3 GLU 76 3HG GLU 76 -1.222 -5.606 21.962 486 H GLU 77 H GLU 77 -1.500 -1.467 24.792 487 HA GLU 77 HA GLU 77 0.231 -1.852 27.138 488 HB2 GLU 77 2HB GLU 77 -0.424 0.610 27.559 489 HB3 GLU 77 3HB GLU 77 0.726 0.257 26.277 490 HG2 GLU 77 2HG GLU 77 -1.031 1.942 25.710 491 HG3 GLU 77 3HG GLU 77 -0.903 0.582 24.596 492 H ASP 78 H ASP 78 -2.515 -3.006 26.462 493 HA ASP 78 HA ASP 78 -3.690 -2.434 29.079 494 HB2 ASP 78 2HB ASP 78 -4.842 -0.998 27.391 495 HB3 ASP 78 3HB ASP 78 -5.328 -2.460 26.537 496 H ASP 79 H ASP 79 -2.324 -4.661 27.378 497 HA ASP 79 HA ASP 79 -4.271 -6.760 27.285 498 HB2 ASP 79 2HB ASP 79 -2.373 -8.214 26.743 499 HB3 ASP 79 3HB ASP 79 -2.336 -6.743 25.774 500 H GLY 80 H GLY 80 -4.893 -8.093 28.861 501 HA2 GLY 80 2HA GLY 80 -3.420 -9.294 30.816 502 HA3 GLY 80 3HA GLY 80 -3.851 -7.742 31.518 503 H ASP 81 H ASP 81 -5.472 -7.989 32.893 504 HA ASP 81 HA ASP 81 -7.655 -9.831 32.165 505 HB2 ASP 81 2HB ASP 81 -6.119 -9.556 34.589 506 HB3 ASP 81 3HB ASP 81 -7.823 -9.258 34.918 507 H THR 82 H THR 82 -9.629 -9.115 33.804 508 HA THR 82 HA THR 82 -10.797 -6.904 32.595 509 HB THR 82 HB THR 82 -11.492 -7.889 35.364 510 HG1 THR 82 HG1 THR 82 -11.454 -9.288 33.117 511 HG21 THR 82 1HG2 THR 82 -13.559 -7.084 33.417 512 HG22 THR 82 2HG2 THR 82 -12.530 -5.787 34.024 513 HG23 THR 82 3HG2 THR 82 -13.454 -6.781 35.150 514 H HIS 83 H HIS 83 -10.089 -6.951 36.079 515 HA HIS 83 HA HIS 83 -10.156 -4.249 36.523 516 HB2 HIS 83 2HB HIS 83 -8.350 -6.271 37.866 517 HB3 HIS 83 3HB HIS 83 -8.717 -4.667 38.495 518 HD1 HIS 83 HD1 HIS 83 -11.830 -5.456 37.275 519 HD2 HIS 83 HD2 HIS 83 -9.609 -7.012 40.423 520 HE1 HIS 83 HE1 HIS 83 -13.503 -6.546 38.804 521 H CYS 84 H CYS 84 -7.344 -6.185 35.558 522 HA CYS 84 HA CYS 84 -5.410 -4.191 35.633 523 HB2 CYS 84 2HB CYS 84 -5.707 -6.814 34.351 524 HB3 CYS 84 3HB CYS 84 -4.633 -5.721 33.489 525 HG CYS 84 HG CYS 84 -3.376 -7.596 35.372 526 H HIS 85 H HIS 85 -7.488 -5.175 32.920 527 HA HIS 85 HA HIS 85 -6.495 -3.217 31.123 528 HB2 HIS 85 2HB HIS 85 -7.762 -4.318 29.637 529 HB3 HIS 85 3HB HIS 85 -8.194 -5.413 30.947 530 HD1 HIS 85 HD1 HIS 85 -10.413 -4.600 32.347 531 HD2 HIS 85 HD2 HIS 85 -9.884 -3.049 28.529 532 HE1 HIS 85 HE1 HIS 85 -12.669 -3.732 31.655 533 H CYS 86 H CYS 86 -8.907 -3.183 33.614 534 HA CYS 86 HA CYS 86 -10.248 -0.819 32.703 535 HB2 CYS 86 2HB CYS 86 -10.461 -2.674 34.968 536 HB3 CYS 86 3HB CYS 86 -10.832 -1.004 35.381 537 HG CYS 86 HG CYS 86 -12.702 -0.862 33.142 538 H SER 87 H SER 87 -7.546 -1.531 34.794 539 HA SER 87 HA SER 87 -7.416 1.125 35.906 540 HB2 SER 87 2HB SER 87 -5.377 -1.113 35.987 541 HB3 SER 87 3HB SER 87 -5.347 0.350 36.971 542 HG SER 87 HG SER 87 -6.922 -1.920 37.204 543 H CYS 88 H CYS 88 -6.175 -0.519 33.137 544 HA CYS 88 HA CYS 88 -4.058 1.388 32.648 545 HB2 CYS 88 2HB CYS 88 -5.035 -1.108 31.379 546 HB3 CYS 88 3HB CYS 88 -4.251 0.053 30.314 547 HG CYS 88 HG CYS 88 -2.908 -1.677 32.916 548 H GLU 89 H GLU 89 -7.307 0.727 31.457 549 HA GLU 89 HA GLU 89 -7.268 2.554 29.303 550 HB2 GLU 89 2HB GLU 89 -9.032 0.669 30.216 551 HB3 GLU 89 3HB GLU 89 -9.865 2.163 30.622 552 HG2 GLU 89 2HG GLU 89 -9.596 2.892 28.268 553 HG3 GLU 89 3HG GLU 89 -8.906 1.312 27.901 554 H HIS 90 H HIS 90 -7.943 2.901 32.720 555 HA HIS 90 HA HIS 90 -8.831 5.653 32.385 556 HB2 HIS 90 2HB HIS 90 -8.492 3.967 34.874 557 HB3 HIS 90 3HB HIS 90 -9.159 5.597 34.841 558 HD1 HIS 90 HD1 HIS 90 -9.958 2.590 32.648 559 HD2 HIS 90 HD2 HIS 90 -11.810 5.255 35.243 560 HE1 HIS 90 HE1 HIS 90 -12.405 2.013 32.572 561 H SER 91 H SER 91 -6.036 3.847 33.455 562 HA SER 91 HA SER 91 -4.690 6.071 34.645 563 HB2 SER 91 2HB SER 91 -4.132 3.813 35.346 564 HB3 SER 91 3HB SER 91 -3.654 3.386 33.703 565 HG SER 91 HG SER 91 -2.360 5.597 34.646 566 H HIS 92 H HIS 92 -4.602 4.491 31.488 567 HA HIS 92 HA HIS 92 -2.458 6.086 30.477 568 HB2 HIS 92 2HB HIS 92 -4.504 4.345 29.092 569 HB3 HIS 92 3HB HIS 92 -3.176 5.146 28.258 570 HD1 HIS 92 HD1 HIS 92 -2.725 3.518 31.613 571 HD2 HIS 92 HD2 HIS 92 -1.857 2.792 27.616 572 HE1 HIS 92 HE1 HIS 92 -1.167 1.545 31.612 573 H ASP 93 H ASP 93 -5.945 6.342 30.518 574 HA ASP 93 HA ASP 93 -6.217 8.345 28.546 575 HB2 ASP 93 2HB ASP 93 -8.098 6.972 29.404 576 HB3 ASP 93 3HB ASP 93 -7.993 7.828 30.940 577 H HIS 94 H HIS 94 -5.050 8.427 31.764 578 HA HIS 94 HA HIS 94 -5.556 11.250 32.157 579 HB2 HIS 94 2HB HIS 94 -4.835 9.026 33.812 580 HB3 HIS 94 3HB HIS 94 -3.644 10.305 34.027 581 HD1 HIS 94 HD1 HIS 94 -7.025 9.303 34.986 582 HD2 HIS 94 HD2 HIS 94 -4.815 12.820 34.896 583 HE1 HIS 94 HE1 HIS 94 -8.271 10.917 36.457 584 H HIS 95 H HIS 95 -2.538 9.351 32.275 585 HA HIS 95 HA HIS 95 -1.239 11.326 30.565 586 HB2 HIS 95 2HB HIS 95 -0.782 12.245 32.728 587 HB3 HIS 95 3HB HIS 95 -0.347 10.665 33.374 588 HD1 HIS 95 HD1 HIS 95 0.922 12.411 30.242 589 HD2 HIS 95 HD2 HIS 95 2.311 10.871 33.841 590 HE1 HIS 95 HE1 HIS 95 3.426 12.632 30.146 591 H ASP 96 H ASP 96 -1.348 8.196 32.060 592 HA ASP 96 HA ASP 96 1.078 7.137 31.119 593 HB2 ASP 96 2HB ASP 96 -1.217 6.180 32.501 594 HB3 ASP 96 3HB ASP 96 -0.914 5.091 31.150 595 H ASP 97 H ASP 97 -1.452 8.306 29.357 596 HA ASP 97 HA ASP 97 -1.949 6.511 27.328 597 HB2 ASP 97 2HB ASP 97 -2.331 9.296 27.762 598 HB3 ASP 97 3HB ASP 97 -1.654 9.095 26.148 599 H ASP 98 H ASP 98 0.996 8.041 28.102 600 HA ASP 98 HA ASP 98 2.172 7.956 25.491 601 HB2 ASP 98 2HB ASP 98 3.066 8.625 28.234 602 HB3 ASP 98 3HB ASP 98 4.315 8.049 27.134 603 H THR 99 H THR 99 1.091 5.545 25.699 604 HA THR 99 HA THR 99 3.263 3.711 26.459 605 HB THR 99 HB THR 99 0.973 2.211 25.787 606 HG1 THR 99 HG1 THR 99 0.401 4.577 27.231 607 HG21 THR 99 1HG2 THR 99 2.431 1.421 27.450 608 HG22 THR 99 2HG2 THR 99 0.961 1.847 28.326 609 HG23 THR 99 3HG2 THR 99 2.353 2.930 28.358 610 H HIS 100 H HIS 100 3.168 5.287 23.983 611 HA HIS 100 HA HIS 100 3.314 3.043 22.093 612 HB2 HIS 100 2HB HIS 100 1.279 4.841 21.972 613 HB3 HIS 100 3HB HIS 100 2.470 5.627 20.940 614 HD1 HIS 100 HD1 HIS 100 3.494 2.606 20.028 615 HD2 HIS 100 HD2 HIS 100 -0.258 4.345 19.626 616 HE1 HIS 100 HE1 HIS 100 2.381 1.375 18.139 617 H GLY 101 H GLY 101 4.375 3.995 19.939 618 HA2 GLY 101 2HA GLY 101 7.011 4.794 20.720 619 HA3 GLY 101 3HA GLY 101 6.443 4.542 19.076 620 H GLU 102 H GLU 102 7.158 6.836 21.518 621 HA GLU 102 HA GLU 102 6.693 8.994 19.606 622 HB2 GLU 102 2HB GLU 102 5.036 9.973 20.738 623 HB3 GLU 102 3HB GLU 102 4.939 8.527 21.733 624 HG2 GLU 102 2HG GLU 102 6.808 10.791 22.356 625 HG3 GLU 102 3HG GLU 102 5.147 10.733 22.945 626 H CYS 103 H CYS 103 7.803 10.997 20.202 627 HA CYS 103 HA CYS 103 10.334 10.395 21.527 628 HB2 CYS 103 2HB CYS 103 9.541 12.019 19.303 629 HB3 CYS 103 3HB CYS 103 10.325 13.041 20.503 630 H THR 104 H THR 104 10.269 10.684 23.667 631 HA THR 104 HA THR 104 8.554 12.285 25.124 632 HB THR 104 HB THR 104 11.372 11.877 26.069 633 HG1 THR 104 HG1 THR 104 9.445 9.826 26.291 634 HG21 THR 104 1HG2 THR 104 9.866 11.173 28.123 635 HG22 THR 104 2HG2 THR 104 8.661 12.143 27.276 636 HG23 THR 104 3HG2 THR 104 10.191 12.869 27.768 637 H LYS 105 H LYS 105 8.939 14.266 26.309 638 HA LYS 105 HA LYS 105 9.596 16.437 24.768 639 HB2 LYS 105 2HB LYS 105 9.961 17.625 27.019 640 HB3 LYS 105 3HB LYS 105 8.389 16.892 26.724 641 HG2 LYS 105 2HG LYS 105 8.590 15.565 28.488 642 HG3 LYS 105 3HG LYS 105 10.189 15.019 27.978 643 HD2 LYS 105 2HD LYS 105 11.278 16.620 29.213 644 HD3 LYS 105 3HD LYS 105 9.915 17.740 29.161 645 HE2 LYS 105 2HE LYS 105 8.872 15.621 30.538 646 HE3 LYS 105 3HE LYS 105 10.548 15.625 31.083 647 HZ1 LYS 105 1HZ LYS 105 8.561 17.809 31.297 648 HZ2 LYS 105 2HZ LYS 105 10.217 18.068 31.520 649 HZ3 LYS 105 3HZ LYS 105 9.380 17.017 32.548 650 H LYS 106 H LYS 106 11.397 17.996 26.283 651 HA LYS 106 HA LYS 106 13.704 18.081 25.134 652 HB2 LYS 106 2HB LYS 106 13.370 19.372 27.135 653 HB3 LYS 106 3HB LYS 106 13.415 17.926 28.136 654 HG2 LYS 106 2HG LYS 106 15.769 17.601 27.556 655 HG3 LYS 106 3HG LYS 106 15.721 19.061 26.564 656 HD2 LYS 106 2HD LYS 106 16.183 20.285 28.360 657 HD3 LYS 106 3HD LYS 106 14.695 19.721 29.124 658 HE2 LYS 106 2HE LYS 106 17.188 18.055 29.156 659 HE3 LYS 106 3HE LYS 106 16.933 19.334 30.342 660 HZ1 LYS 106 1HZ LYS 106 16.196 17.049 31.018 661 HZ2 LYS 106 2HZ LYS 106 14.961 17.175 29.869 662 HZ3 LYS 106 3HZ LYS 106 15.023 18.259 31.166 663 H ALA 107 H ALA 107 12.855 15.393 27.237 664 HA ALA 107 HA ALA 107 15.367 14.104 27.217 665 HB1 ALA 107 1HB ALA 107 12.828 13.637 28.341 666 HB2 ALA 107 2HB ALA 107 13.250 12.195 27.418 667 HB3 ALA 107 3HB ALA 107 14.337 12.787 28.674 668 HA PRO 108 HA PRO 108 15.579 11.857 23.447 669 HB2 PRO 108 2HB PRO 108 15.896 9.253 24.147 670 HB3 PRO 108 3HB PRO 108 17.160 10.468 24.371 671 HG2 PRO 108 2HG PRO 108 15.217 9.367 26.364 672 HG3 PRO 108 3HG PRO 108 16.949 9.695 26.554 673 HD2 PRO 108 2HD PRO 108 15.038 11.374 27.481 674 HD3 PRO 108 3HD PRO 108 16.612 11.950 26.896 675 H CYS 109 H CYS 109 14.726 9.764 22.273 676 HA CYS 109 HA CYS 109 11.873 9.986 22.234 677 HB2 CYS 109 2HB CYS 109 13.958 8.756 20.581 678 HB3 CYS 109 3HB CYS 109 12.469 7.818 20.646 679 H TRP 110 H TRP 110 10.379 8.211 22.454 680 HA TRP 110 HA TRP 110 11.329 6.024 24.171 681 HB2 TRP 110 2HB TRP 110 10.261 6.967 25.907 682 HB3 TRP 110 3HB TRP 110 9.467 8.148 24.870 683 HD1 TRP 110 HD1 TRP 110 7.240 7.013 23.459 684 HE1 TRP 110 HE1 TRP 110 5.397 5.520 24.459 685 HE3 TRP 110 HE3 TRP 110 9.697 5.378 27.634 686 HZ2 TRP 110 HZ2 TRP 110 5.033 3.868 26.719 687 HZ3 TRP 110 HZ3 TRP 110 8.530 3.844 29.164 688 HH2 TRP 110 HH2 TRP 110 6.247 3.106 28.714 689 H ARG 111 H ARG 111 9.810 4.189 24.271 690 HA ARG 111 HA ARG 111 7.975 4.027 21.993 691 HB2 ARG 111 2HB ARG 111 9.273 1.509 22.217 692 HB3 ARG 111 3HB ARG 111 9.275 2.620 20.853 693 HG2 ARG 111 2HG ARG 111 11.222 3.755 21.745 694 HG3 ARG 111 3HG ARG 111 11.201 2.708 23.165 695 HD2 ARG 111 2HD ARG 111 11.449 1.659 20.356 696 HD3 ARG 111 3HD ARG 111 12.844 2.091 21.344 697 HE ARG 111 HE ARG 111 11.050 0.259 22.635 698 HH11 ARG 111 1HH1 ARG 111 13.742 0.557 20.448 699 HH12 ARG 111 2HH1 ARG 111 14.326 -1.048 20.740 700 HH21 ARG 111 1HH2 ARG 111 11.808 -1.857 23.028 701 HH22 ARG 111 2HH2 ARG 111 13.224 -2.420 22.207 702 H CYS 112 H CYS 112 6.411 2.315 22.160 703 HA CYS 112 HA CYS 112 5.173 2.087 24.604 704 HB2 CYS 112 2HB CYS 112 3.904 1.534 22.689 705 HB3 CYS 112 3HB CYS 112 5.073 0.330 22.160 706 HG CYS 112 HG CYS 112 3.842 -1.662 23.192 707 H GLU 113 H GLU 113 6.036 1.321 26.419 708 HA GLU 113 HA GLU 113 7.608 -1.166 26.286 709 HB2 GLU 113 2HB GLU 113 8.575 1.090 27.211 710 HB3 GLU 113 3HB GLU 113 7.663 0.667 28.653 711 HG2 GLU 113 2HG GLU 113 9.705 -1.124 27.361 712 HG3 GLU 113 3HG GLU 113 10.045 -0.029 28.699 713 H TYR 114 H TYR 114 7.014 -2.905 27.469 714 HA TYR 114 HA TYR 114 5.338 -2.836 29.736 715 HB2 TYR 114 2HB TYR 114 3.880 -2.454 27.447 716 HB3 TYR 114 3HB TYR 114 3.782 -4.200 27.648 717 HD1 TYR 114 HD1 TYR 114 3.712 -1.306 30.021 718 HD2 TYR 114 HD2 TYR 114 1.778 -4.817 28.596 719 HE1 TYR 114 HE1 TYR 114 1.943 -1.007 31.704 720 HE2 TYR 114 HE2 TYR 114 0.003 -4.527 30.274 721 HH TYR 114 HH TYR 114 -0.884 -3.123 31.793 722 H ASN 115 H ASN 115 4.053 -5.338 29.394 723 HA ASN 115 HA ASN 115 6.347 -7.078 29.720 724 HB2 ASN 115 2HB ASN 115 3.722 -6.971 30.781 725 HB3 ASN 115 3HB ASN 115 3.856 -8.489 29.899 726 HD21 ASN 115 1HD2 ASN 115 6.419 -9.216 30.282 727 HD22 ASN 115 2HD2 ASN 115 6.730 -9.482 31.960 728 H ALA 116 H ALA 116 7.204 -8.106 28.049 729 HA ALA 116 HA ALA 116 5.437 -9.338 26.070 730 HB1 ALA 116 1HB ALA 116 7.642 -7.396 25.442 731 HB2 ALA 116 2HB ALA 116 7.048 -8.564 24.261 732 HB3 ALA 116 3HB ALA 116 5.956 -7.350 24.927 733 H ASP 117 H ASP 117 7.122 -10.494 24.391 734 HA ASP 117 HA ASP 117 8.337 -12.541 25.969 735 HB2 ASP 117 2HB ASP 117 7.269 -12.536 23.506 736 HB3 ASP 117 3HB ASP 117 8.966 -12.349 23.073 737 H LEU 118 H LEU 118 10.628 -13.290 24.856 738 HA LEU 118 HA LEU 118 12.539 -11.573 25.989 739 HB2 LEU 118 2HB LEU 118 13.045 -13.690 23.908 740 HB3 LEU 118 3HB LEU 118 14.195 -13.053 25.082 741 HG LEU 118 HG LEU 118 11.816 -14.819 25.638 742 HD11 LEU 118 1HD1 LEU 118 14.129 -15.907 26.709 743 HD12 LEU 118 2HD1 LEU 118 14.625 -15.287 25.134 744 HD13 LEU 118 3HD1 LEU 118 13.291 -16.435 25.250 745 HD21 LEU 118 1HD2 LEU 118 13.591 -13.242 27.458 746 HD22 LEU 118 2HD2 LEU 118 12.902 -14.775 27.990 747 HD23 LEU 118 3HD2 LEU 118 11.841 -13.451 27.507 748 H LYS 119 H LYS 119 14.635 -11.259 24.350 749 HA LYS 119 HA LYS 119 14.460 -8.914 23.128 750 HB2 LYS 119 2HB LYS 119 16.126 -11.266 22.700 751 HB3 LYS 119 3HB LYS 119 15.969 -10.290 21.246 752 HG2 LYS 119 2HG LYS 119 16.698 -8.314 22.534 753 HG3 LYS 119 3HG LYS 119 16.941 -9.356 23.939 754 HD2 LYS 119 2HD LYS 119 18.289 -9.854 21.294 755 HD3 LYS 119 3HD LYS 119 18.998 -8.831 22.546 756 HE2 LYS 119 2HE LYS 119 19.479 -10.588 23.897 757 HE3 LYS 119 3HE LYS 119 18.057 -11.501 23.397 758 HZ1 LYS 119 1HZ LYS 119 20.265 -12.425 22.687 759 HZ2 LYS 119 2HZ LYS 119 20.404 -11.110 21.634 760 HZ3 LYS 119 3HZ LYS 119 19.135 -12.212 21.446 761 H HIS 120 H HIS 120 12.896 -8.113 21.888 762 HA HIS 120 HA HIS 120 12.386 -9.289 19.300 763 HB2 HIS 120 2HB HIS 120 10.716 -10.077 21.345 764 HB3 HIS 120 3HB HIS 120 9.838 -8.728 20.632 765 HD1 HIS 120 HD1 HIS 120 11.038 -9.502 17.684 766 HD2 HIS 120 HD2 HIS 120 8.833 -11.883 20.278 767 HE1 HIS 120 HE1 HIS 120 9.968 -11.260 16.238 768 H ASP 121 H ASP 121 10.093 -7.865 18.642 769 HA ASP 121 HA ASP 121 11.033 -5.083 18.890 770 HB2 ASP 121 2HB ASP 121 11.290 -5.859 16.615 771 HB3 ASP 121 3HB ASP 121 9.630 -6.449 16.586 772 H VAL 122 H VAL 122 9.785 -4.139 20.385 773 HA VAL 122 HA VAL 122 6.869 -4.308 20.026 774 HB VAL 122 HB VAL 122 8.345 -4.363 22.661 775 HG11 VAL 122 1HG1 VAL 122 6.538 -3.540 23.652 776 HG12 VAL 122 2HG1 VAL 122 5.814 -3.266 22.066 777 HG13 VAL 122 3HG1 VAL 122 5.533 -4.787 22.914 778 HG21 VAL 122 1HG2 VAL 122 7.897 -6.469 21.094 779 HG22 VAL 122 2HG2 VAL 122 7.802 -6.564 22.852 780 HG23 VAL 122 3HG2 VAL 122 6.329 -6.398 21.897 781 H CYS 123 H CYS 123 6.508 -2.338 19.152 782 HA CYS 123 HA CYS 123 6.126 -0.083 20.545 783 HB2 CYS 123 2HB CYS 123 8.207 1.303 20.049 784 HB3 CYS 123 3HB CYS 123 8.352 0.102 21.327 785 HG CYS 123 HG CYS 123 10.428 0.535 19.019 786 H GLY 124 H GLY 124 5.153 1.387 19.264 787 HA2 GLY 124 2HA GLY 124 4.304 2.336 17.355 788 HA3 GLY 124 3HA GLY 124 5.924 2.155 16.698 789 H CYS 125 H CYS 125 4.749 -0.830 17.624 790 HA CYS 125 HA CYS 125 4.432 -1.646 14.879 791 HB2 CYS 125 2HB CYS 125 4.076 -3.255 17.416 792 HB3 CYS 125 3HB CYS 125 4.218 -3.904 15.787 793 HG CYS 125 HG CYS 125 6.703 -4.410 16.271 794 H GLU 126 H GLU 126 2.393 -0.292 17.119 795 HA GLU 126 HA GLU 126 0.017 -1.799 16.477 796 HB2 GLU 126 2HB GLU 126 0.774 -0.075 18.539 797 HB3 GLU 126 3HB GLU 126 -0.472 0.802 17.663 798 HG2 GLU 126 2HG GLU 126 -1.244 -1.941 18.063 799 HG3 GLU 126 3HG GLU 126 -0.828 -1.171 19.593 800 H CYS 127 H CYS 127 1.542 -0.451 14.317 801 HA CYS 127 HA CYS 127 -0.720 0.672 12.943 802 HB2 CYS 127 2HB CYS 127 0.627 2.511 14.369 803 HB3 CYS 127 3HB CYS 127 1.606 2.517 12.907 804 HG CYS 127 HG CYS 127 0.039 4.546 12.278 805 H SER 128 H SER 128 -0.009 1.431 10.681 806 HA SER 128 HA SER 128 1.523 -0.709 9.527 807 HB2 SER 128 2HB SER 128 -0.375 -0.036 8.272 808 HB3 SER 128 3HB SER 128 0.069 1.668 8.366 809 HG SER 128 HG SER 128 1.296 -0.386 6.856 810 H LYS 129 H LYS 129 3.017 0.067 7.583 811 HA LYS 129 HA LYS 129 5.348 1.105 8.741 812 HB2 LYS 129 2HB LYS 129 5.395 -0.353 6.783 813 HB3 LYS 129 3HB LYS 129 4.591 0.880 5.822 814 HG2 LYS 129 2HG LYS 129 7.066 0.678 5.479 815 HG3 LYS 129 3HG LYS 129 6.484 2.295 5.880 816 HD2 LYS 129 2HD LYS 129 7.336 2.194 8.048 817 HD3 LYS 129 3HD LYS 129 7.452 0.433 8.021 818 HE2 LYS 129 2HE LYS 129 9.610 0.715 7.537 819 HE3 LYS 129 3HE LYS 129 9.078 1.222 5.935 820 HZ1 LYS 129 1HZ LYS 129 10.552 2.722 7.612 821 HZ2 LYS 129 2HZ LYS 129 8.997 3.308 7.925 822 HZ3 LYS 129 3HZ LYS 129 9.611 3.339 6.349 823 H LEU 130 H LEU 130 4.295 3.045 9.726 824 HA LEU 130 HA LEU 130 3.382 5.228 8.252 825 HB2 LEU 130 2HB LEU 130 4.173 6.565 10.271 826 HB3 LEU 130 3HB LEU 130 2.980 5.297 10.545 827 HG LEU 130 HG LEU 130 5.376 4.007 10.984 828 HD11 LEU 130 1HD1 LEU 130 6.942 5.370 11.786 829 HD12 LEU 130 2HD1 LEU 130 5.776 6.277 12.748 830 HD13 LEU 130 3HD1 LEU 130 6.027 6.687 11.052 831 HD21 LEU 130 1HD2 LEU 130 4.397 3.540 12.944 832 HD22 LEU 130 2HD2 LEU 130 3.026 4.442 12.298 833 HD23 LEU 130 3HD2 LEU 130 4.188 5.242 13.358 834 HA PRO 131 HA PRO 131 6.899 7.073 6.385 835 HB2 PRO 131 2HB PRO 131 6.368 9.720 6.675 836 HB3 PRO 131 3HB PRO 131 5.484 8.680 5.552 837 HG2 PRO 131 2HG PRO 131 4.705 9.602 8.291 838 HG3 PRO 131 3HG PRO 131 3.717 9.499 6.822 839 HD2 PRO 131 2HD PRO 131 3.619 7.630 8.779 840 HD3 PRO 131 3HD PRO 131 3.366 7.234 7.067 841 H CYS 132 H CYS 132 6.058 8.229 9.612 842 HA CYS 132 HA CYS 132 8.705 9.318 10.060 843 HB2 CYS 132 2HB CYS 132 6.694 10.414 11.006 844 HB3 CYS 132 3HB CYS 132 6.399 8.984 11.990 845 H ASN 133 H ASN 133 9.288 6.873 9.456 846 HA ASN 133 HA ASN 133 9.808 5.544 12.029 847 HB2 ASN 133 2HB ASN 133 8.130 4.521 10.110 848 HB3 ASN 133 3HB ASN 133 9.661 3.746 9.714 849 HD21 ASN 133 1HD2 ASN 133 10.833 3.244 12.024 850 HD22 ASN 133 2HD2 ASN 133 9.862 2.226 13.026 851 H ASP 134 H ASP 134 11.512 7.380 10.728 852 HA ASP 134 HA ASP 134 13.507 5.957 9.234 853 HB2 ASP 134 2HB ASP 134 13.396 8.724 10.429 854 HB3 ASP 134 3HB ASP 134 14.829 8.110 9.608 855 H GLU 135 H GLU 135 14.482 8.007 11.885 856 HA GLU 135 HA GLU 135 15.139 5.972 13.734 857 HB2 GLU 135 2HB GLU 135 17.083 6.535 11.614 858 HB3 GLU 135 3HB GLU 135 17.751 6.676 13.234 859 HG2 GLU 135 2HG GLU 135 16.495 4.356 13.532 860 HG3 GLU 135 3HG GLU 135 16.755 4.294 11.789 861 H HIS 136 H HIS 136 14.853 7.075 15.547 862 HA HIS 136 HA HIS 136 16.016 9.776 15.747 863 HB2 HIS 136 2HB HIS 136 13.349 8.742 16.461 864 HB3 HIS 136 3HB HIS 136 14.098 9.765 17.683 865 HD1 HIS 136 HD1 HIS 136 15.141 10.790 14.367 866 HD2 HIS 136 HD2 HIS 136 11.888 11.522 16.846 867 HE1 HIS 136 HE1 HIS 136 14.046 12.858 13.446 868 HA PRO 137 HA PRO 137 18.294 8.595 19.304 869 HB2 PRO 137 2HB PRO 137 17.946 10.683 21.003 870 HB3 PRO 137 3HB PRO 137 18.930 10.790 19.539 871 HG2 PRO 137 2HG PRO 137 16.113 11.694 19.998 872 HG3 PRO 137 3HG PRO 137 17.429 12.522 19.146 873 HD2 PRO 137 2HD PRO 137 15.469 11.181 17.845 874 HD3 PRO 137 3HD PRO 137 17.128 11.291 17.221 875 H CYS 138 H CYS 138 16.305 6.974 19.477 876 HA CYS 138 HA CYS 138 14.773 7.445 21.917 877 HB2 CYS 138 2HB CYS 138 14.463 4.865 20.524 878 HB3 CYS 138 3HB CYS 138 13.239 5.986 21.107 879 HG CYS 138 HG CYS 138 14.994 6.325 18.187 880 H TYR 139 H TYR 139 15.006 6.289 23.777 881 HA TYR 139 HA TYR 139 16.421 3.876 24.045 882 HB2 TYR 139 2HB TYR 139 18.185 5.902 23.613 883 HB3 TYR 139 3HB TYR 139 18.077 5.928 25.369 884 HD1 TYR 139 HD1 TYR 139 18.367 3.364 22.655 885 HD2 TYR 139 HD2 TYR 139 19.657 4.686 26.488 886 HE1 TYR 139 HE1 TYR 139 19.935 1.473 22.773 887 HE2 TYR 139 HE2 TYR 139 21.229 2.800 26.616 888 HH TYR 139 HH TYR 139 21.424 0.391 24.013 889 H ARG 140 H ARG 140 17.453 4.130 26.608 890 HA ARG 140 HA ARG 140 14.989 4.409 28.129 891 HB2 ARG 140 2HB ARG 140 16.302 2.390 28.464 892 HB3 ARG 140 3HB ARG 140 17.711 3.347 28.903 893 HG2 ARG 140 2HG ARG 140 17.039 2.937 30.998 894 HG3 ARG 140 3HG ARG 140 15.905 4.256 30.700 895 HD2 ARG 140 2HD ARG 140 14.244 2.839 31.108 896 HD3 ARG 140 3HD ARG 140 14.695 1.963 29.646 897 HE ARG 140 HE ARG 140 16.226 1.234 31.973 898 HH11 ARG 140 1HH1 ARG 140 13.337 0.633 30.126 899 HH12 ARG 140 2HH1 ARG 140 13.136 -0.982 30.720 900 HH21 ARG 140 1HH2 ARG 140 15.973 -0.891 32.763 901 HH22 ARG 140 2HH2 ARG 140 14.635 -1.848 32.221 902 H LYS 141 H LYS 141 18.049 4.936 29.673 903 HA LYS 141 HA LYS 141 17.134 7.551 30.574 904 HB2 LYS 141 2HB LYS 141 19.724 6.332 31.442 905 HB3 LYS 141 3HB LYS 141 18.607 7.341 32.351 906 HG2 LYS 141 2HG LYS 141 17.035 5.473 32.490 907 HG3 LYS 141 3HG LYS 141 18.164 4.462 31.586 908 HD2 LYS 141 2HD LYS 141 18.897 5.812 34.174 909 HD3 LYS 141 3HD LYS 141 18.187 4.197 34.107 910 HE2 LYS 141 2HE LYS 141 20.669 4.947 32.583 911 HE3 LYS 141 3HE LYS 141 20.719 4.327 34.232 912 HZ1 LYS 141 1HZ LYS 141 20.942 2.700 32.264 913 HZ2 LYS 141 2HZ LYS 141 19.261 2.846 32.147 914 HZ3 LYS 141 3HZ LYS 141 19.962 2.269 33.574 915 H GLU 142 H GLU 142 18.168 7.015 27.812 916 HA GLU 142 HA GLU 142 19.463 9.405 27.329 917 HB2 GLU 142 2HB GLU 142 21.246 7.363 28.350 918 HB3 GLU 142 3HB GLU 142 21.722 7.865 26.734 919 HG2 GLU 142 2HG GLU 142 21.195 10.248 28.008 920 HG3 GLU 142 3HG GLU 142 21.947 9.266 29.264 921 H GLY 143 H GLY 143 18.573 9.644 25.380 922 HA2 GLY 143 2HA GLY 143 17.819 7.670 23.600 923 HA3 GLY 143 3HA GLY 143 18.179 9.327 23.139 924 H GLY 144 H GLY 144 18.682 6.843 21.674 925 HA2 GLY 144 2HA GLY 144 21.576 7.230 21.291 926 HA3 GLY 144 3HA GLY 144 20.928 5.603 21.444 927 H VAL 145 H VAL 145 20.611 4.593 19.587 928 HA VAL 145 HA VAL 145 19.804 6.176 17.239 929 HB VAL 145 HB VAL 145 21.153 4.432 15.897 930 HG11 VAL 145 1HG1 VAL 145 23.056 6.162 17.348 931 HG12 VAL 145 2HG1 VAL 145 22.755 6.004 15.617 932 HG13 VAL 145 3HG1 VAL 145 21.667 6.966 16.618 933 HG21 VAL 145 1HG2 VAL 145 22.505 4.192 18.583 934 HG22 VAL 145 2HG2 VAL 145 21.624 2.916 17.743 935 HG23 VAL 145 3HG2 VAL 145 23.124 3.548 17.062 936 H VAL 146 H VAL 146 17.668 5.561 17.327 937 HA VAL 146 HA VAL 146 17.148 2.754 16.647 938 HB VAL 146 HB VAL 146 15.293 4.223 18.497 939 HG11 VAL 146 1HG1 VAL 146 14.923 1.717 19.135 940 HG12 VAL 146 2HG1 VAL 146 14.191 2.377 17.670 941 HG13 VAL 146 3HG1 VAL 146 15.664 1.412 17.564 942 HG21 VAL 146 1HG2 VAL 146 16.355 3.042 20.381 943 HG22 VAL 146 2HG2 VAL 146 17.627 2.484 19.295 944 HG23 VAL 146 3HG2 VAL 146 17.441 4.207 19.623 945 H SER 147 H SER 147 14.988 2.433 15.680 946 HA SER 147 HA SER 147 14.531 4.058 13.507 947 HB2 SER 147 2HB SER 147 12.036 2.998 13.955 948 HB3 SER 147 3HB SER 147 13.355 2.166 13.132 949 HG SER 147 HG SER 147 12.611 1.980 15.860 950 H CYS 148 H CYS 148 12.397 5.219 13.042 951 HA CYS 148 HA CYS 148 11.996 7.192 15.166 952 HB2 CYS 148 2HB CYS 148 12.546 7.618 12.579 953 HB3 CYS 148 3HB CYS 148 10.791 7.569 12.474 954 HG CYS 148 HG CYS 148 12.040 10.226 12.696 955 H ASP 149 H ASP 149 10.185 7.266 16.317 956 HA ASP 149 HA ASP 149 7.709 6.183 15.198 957 HB2 ASP 149 2HB ASP 149 7.266 5.054 17.430 958 HB3 ASP 149 3HB ASP 149 8.485 4.294 16.410 959 H CYS 150 H CYS 150 6.670 8.112 15.126 960 HA CYS 150 HA CYS 150 6.621 9.774 17.539 961 HB2 CYS 150 2HB CYS 150 5.325 10.571 14.959 962 HB3 CYS 150 3HB CYS 150 6.056 11.586 16.198 963 H LYS 151 H LYS 151 4.889 9.881 18.815 964 HA LYS 151 HA LYS 151 2.240 9.288 17.796 965 HB2 LYS 151 2HB LYS 151 3.416 7.109 18.579 966 HB3 LYS 151 3HB LYS 151 3.153 7.737 20.201 967 HG2 LYS 151 2HG LYS 151 0.972 7.302 18.172 968 HG3 LYS 151 3HG LYS 151 1.409 6.154 19.440 969 HD2 LYS 151 2HD LYS 151 -0.208 7.236 20.590 970 HD3 LYS 151 3HD LYS 151 1.092 8.385 20.916 971 HE2 LYS 151 2HE LYS 151 0.346 9.584 18.800 972 HE3 LYS 151 3HE LYS 151 -1.097 8.574 18.863 973 HZ1 LYS 151 1HZ LYS 151 -0.296 10.780 20.595 974 HZ2 LYS 151 2HZ LYS 151 -1.106 9.490 21.330 975 HZ3 LYS 151 3HZ LYS 151 -1.836 10.331 20.057 976 H THR 152 H THR 152 3.149 8.954 21.156 977 HA THR 152 HA THR 152 1.401 11.125 21.886 978 HB THR 152 HB THR 152 2.420 10.526 24.243 979 HG1 THR 152 HG1 THR 152 2.918 8.121 22.802 980 HG21 THR 152 1HG2 THR 152 0.240 9.937 24.195 981 HG22 THR 152 2HG2 THR 152 0.882 8.308 23.985 982 HG23 THR 152 3HG2 THR 152 0.359 9.237 22.581 983 H ILE 153 H ILE 153 4.005 11.589 20.410 984 HA ILE 153 HA ILE 153 6.036 12.695 21.789 985 HB ILE 153 HB ILE 153 6.037 12.766 19.387 986 HG12 ILE 153 2HG1 ILE 153 6.014 15.669 20.163 987 HG13 ILE 153 3HG1 ILE 153 7.226 14.578 20.826 988 HG21 ILE 153 1HG2 ILE 153 3.626 13.186 19.096 989 HG22 ILE 153 2HG2 ILE 153 3.881 14.865 19.571 990 HG23 ILE 153 3HG2 ILE 153 4.622 14.244 18.096 991 HD11 ILE 153 1HD1 ILE 153 8.322 15.429 19.009 992 HD12 ILE 153 2HD1 ILE 153 7.615 13.967 18.320 993 HD13 ILE 153 3HD1 ILE 153 6.856 15.533 18.035 994 H THR 154 H THR 154 6.565 14.764 22.623 995 HA THR 154 HA THR 154 4.341 16.029 23.991 996 HB THR 154 HB THR 154 5.926 17.102 25.372 997 HG1 THR 154 HG1 THR 154 7.503 16.943 23.133 998 HG21 THR 154 1HG2 THR 154 7.350 14.538 24.708 999 HG22 THR 154 2HG2 THR 154 5.778 14.552 25.508 1000 HG23 THR 154 3HG2 THR 154 7.166 15.320 26.277 1001 H CYS 155 H CYS 155 4.633 18.536 24.243 1002 HA CYS 155 HA CYS 155 4.339 19.628 21.586 1003 HB2 CYS 155 2HB CYS 155 4.271 21.297 24.073 1004 HB3 CYS 155 3HB CYS 155 3.334 21.468 22.593 1005 H ASN 156 H ASN 156 5.250 22.052 21.468 1006 HA ASN 156 HA ASN 156 7.952 21.879 20.944 1007 HB2 ASN 156 2HB ASN 156 6.268 23.692 20.244 1008 HB3 ASN 156 3HB ASN 156 6.654 24.467 21.777 1009 HD21 ASN 156 1HD2 ASN 156 7.550 26.256 20.787 1010 HD22 ASN 156 2HD2 ASN 156 9.077 26.203 19.980 1011 H GLU 157 H GLU 157 9.809 22.786 21.981 1012 HA GLU 157 HA GLU 157 10.243 22.018 24.575 1013 HB2 GLU 157 2HB GLU 157 11.666 23.506 22.591 1014 HB3 GLU 157 3HB GLU 157 11.860 24.311 24.141 1015 HG2 GLU 157 2HG GLU 157 12.251 21.368 24.009 1016 HG3 GLU 157 3HG GLU 157 13.506 22.423 23.362 1017 H ASP 158 H ASP 158 8.818 24.984 23.417 1018 HA ASP 158 HA ASP 158 9.053 26.584 25.687 1019 HB2 ASP 158 2HB ASP 158 7.271 26.495 23.327 1020 HB3 ASP 158 3HB ASP 158 6.643 27.361 24.726 1021 H HIS 159 H HIS 159 7.524 23.641 25.418 1022 HA HIS 159 HA HIS 159 6.550 23.624 28.034 1023 HB2 HIS 159 2HB HIS 159 4.090 23.531 27.560 1024 HB3 HIS 159 3HB HIS 159 4.809 25.122 27.327 1025 HD1 HIS 159 HD1 HIS 159 2.477 22.987 25.785 1026 HD2 HIS 159 HD2 HIS 159 5.575 25.361 24.362 1027 HE1 HIS 159 HE1 HIS 159 1.973 23.362 23.351 1028 HA PRO 160 HA PRO 160 7.120 19.484 26.231 1029 HB2 PRO 160 2HB PRO 160 7.980 18.369 28.552 1030 HB3 PRO 160 3HB PRO 160 9.043 19.277 27.471 1031 HG2 PRO 160 2HG PRO 160 7.678 20.175 29.980 1032 HG3 PRO 160 3HG PRO 160 9.338 20.483 29.437 1033 HD2 PRO 160 2HD PRO 160 7.360 22.314 29.186 1034 HD3 PRO 160 3HD PRO 160 8.694 22.184 28.021 1035 H CYS 161 H CYS 161 5.129 18.651 25.901 1036 HA CYS 161 HA CYS 161 3.842 17.263 28.064 1037 HB2 CYS 161 2HB CYS 161 1.637 18.380 27.749 1038 HB3 CYS 161 3HB CYS 161 2.860 19.436 28.447 1039 H TYR 162 H TYR 162 3.057 15.420 27.286 1040 HA TYR 162 HA TYR 162 3.298 14.538 24.717 1041 HB2 TYR 162 2HB TYR 162 1.730 12.761 25.274 1042 HB3 TYR 162 3HB TYR 162 2.777 13.089 26.650 1043 HD1 TYR 162 HD1 TYR 162 1.867 14.467 28.562 1044 HD2 TYR 162 HD2 TYR 162 -0.613 12.930 25.465 1045 HE1 TYR 162 HE1 TYR 162 -0.107 14.783 29.994 1046 HE2 TYR 162 HE2 TYR 162 -2.594 13.243 26.888 1047 HH TYR 162 HH TYR 162 -2.328 14.698 30.114 1048 H HIS 163 H HIS 163 1.717 14.066 23.047 1049 HA HIS 163 HA HIS 163 0.059 16.362 22.504 1050 HB2 HIS 163 2HB HIS 163 0.938 13.952 20.969 1051 HB3 HIS 163 3HB HIS 163 -0.471 14.846 20.406 1052 HD1 HIS 163 HD1 HIS 163 2.299 16.775 21.958 1053 HD2 HIS 163 HD2 HIS 163 1.012 15.707 18.155 1054 HE1 HIS 163 HE1 HIS 163 3.594 18.238 20.374 1055 H SER 164 H SER 164 -0.753 12.937 22.018 1056 HA SER 164 HA SER 164 -2.992 13.017 23.798 1057 HB2 SER 164 2HB SER 164 -3.696 14.297 21.648 1058 HB3 SER 164 3HB SER 164 -3.752 12.698 20.906 1059 HG SER 164 HG SER 164 -5.039 13.027 23.356 1060 H TYR 165 H TYR 165 -4.472 11.067 22.106 1061 HA TYR 165 HA TYR 165 -2.629 8.781 22.361 1062 HB2 TYR 165 2HB TYR 165 -4.526 7.414 23.091 1063 HB3 TYR 165 3HB TYR 165 -4.287 8.782 24.173 1064 HD1 TYR 165 HD1 TYR 165 -6.587 7.075 22.009 1065 HD2 TYR 165 HD2 TYR 165 -5.805 10.796 23.919 1066 HE1 TYR 165 HE1 TYR 165 -8.939 7.723 21.697 1067 HE2 TYR 165 HE2 TYR 165 -8.155 11.454 23.613 1068 HH TYR 165 HH TYR 165 -10.570 9.399 22.961 1069 H GLU 166 H GLU 166 -2.275 7.772 20.508 1070 HA GLU 166 HA GLU 166 -4.350 7.058 18.703 1071 HB2 GLU 166 2HB GLU 166 -3.446 9.631 18.317 1072 HB3 GLU 166 3HB GLU 166 -2.467 8.709 17.185 1073 HG2 GLU 166 2HG GLU 166 -4.349 9.395 15.975 1074 HG3 GLU 166 3HG GLU 166 -4.626 7.695 16.348 1075 H GLU 167 H GLU 167 -3.143 6.405 16.462 1076 HA GLU 167 HA GLU 167 -1.179 4.445 17.309 1077 HB2 GLU 167 2HB GLU 167 -2.254 4.848 14.521 1078 HB3 GLU 167 3HB GLU 167 -1.520 3.400 15.195 1079 HG2 GLU 167 2HG GLU 167 -3.592 3.700 16.881 1080 HG3 GLU 167 3HG GLU 167 -4.274 4.411 15.419 1081 H ASP 168 H ASP 168 0.838 5.199 17.509 1082 HA ASP 168 HA ASP 168 2.110 7.334 16.570 1083 HB2 ASP 168 2HB ASP 168 4.140 6.265 16.923 1084 HB3 ASP 168 3HB ASP 168 3.036 5.256 17.855 1085 H GLY 169 H GLY 169 3.101 8.095 14.728 1086 HA2 GLY 169 2HA GLY 169 3.942 7.087 12.455 1087 HA3 GLY 169 3HA GLY 169 2.218 6.819 12.244 1088 H VAL 170 H VAL 170 4.435 9.446 13.192 1089 HA VAL 170 HA VAL 170 2.725 11.552 12.484 1090 HB VAL 170 HB VAL 170 5.588 11.279 13.116 1091 HG11 VAL 170 1HG1 VAL 170 6.013 13.655 12.350 1092 HG12 VAL 170 2HG1 VAL 170 5.953 12.428 11.083 1093 HG13 VAL 170 3HG1 VAL 170 4.570 13.491 11.349 1094 HG21 VAL 170 1HG2 VAL 170 5.128 12.932 14.697 1095 HG22 VAL 170 2HG2 VAL 170 3.758 13.561 13.782 1096 HG23 VAL 170 3HG2 VAL 170 3.627 12.010 14.611 1097 H THR 171 H THR 171 2.018 12.181 10.565 1098 HA THR 171 HA THR 171 3.337 11.221 8.151 1099 HB THR 171 HB THR 171 0.864 12.914 8.117 1100 HG1 THR 171 HG1 THR 171 -0.347 11.302 8.857 1101 HG21 THR 171 1HG2 THR 171 0.519 10.868 6.361 1102 HG22 THR 171 2HG2 THR 171 2.273 11.053 6.329 1103 HG23 THR 171 3HG2 THR 171 1.234 12.426 5.947 1104 H LYS 172 H LYS 172 5.133 12.473 7.838 1105 HA LYS 172 HA LYS 172 5.375 15.212 8.263 1106 HB2 LYS 172 2HB LYS 172 6.895 13.128 6.935 1107 HB3 LYS 172 3HB LYS 172 7.013 14.653 6.068 1108 HG2 LYS 172 2HG LYS 172 7.330 15.020 8.919 1109 HG3 LYS 172 3HG LYS 172 8.501 13.872 8.266 1110 HD2 LYS 172 2HD LYS 172 9.245 15.482 6.638 1111 HD3 LYS 172 3HD LYS 172 7.976 16.612 7.117 1112 HE2 LYS 172 2HE LYS 172 9.359 17.484 8.619 1113 HE3 LYS 172 3HE LYS 172 9.395 15.933 9.457 1114 HZ1 LYS 172 1HZ LYS 172 11.265 15.259 8.147 1115 HZ2 LYS 172 2HZ LYS 172 11.614 16.765 8.832 1116 HZ3 LYS 172 3HZ LYS 172 11.183 16.658 7.200 1117 H SER 173 H SER 173 5.557 16.948 6.673 1118 HA SER 173 HA SER 173 4.711 18.271 5.027 1119 HB2 SER 173 2HB SER 173 3.902 15.897 3.397 1120 HB3 SER 173 3HB SER 173 4.638 17.413 2.879 1121 HG SER 173 HG SER 173 6.600 16.707 3.629 1122 H ASP 174 H ASP 174 2.986 16.990 7.133 1123 HA ASP 174 HA ASP 174 0.413 17.657 5.882 1124 HB2 ASP 174 2HB ASP 174 1.115 15.074 6.587 1125 HB3 ASP 174 3HB ASP 174 0.181 15.631 7.973 1126 H CYS 175 H CYS 175 2.474 18.873 7.822 1127 HA CYS 175 HA CYS 175 0.844 19.228 10.208 1128 HB2 CYS 175 2HB CYS 175 3.494 19.006 9.983 1129 HB3 CYS 175 3HB CYS 175 3.371 20.752 9.804 1130 HG CYS 175 HG CYS 175 3.066 18.868 12.535 1131 H ASP 176 H ASP 176 0.884 20.541 7.217 1132 HA ASP 176 HA ASP 176 0.209 22.509 6.282 1133 HB2 ASP 176 2HB ASP 176 -1.776 21.724 7.773 1134 HB3 ASP 176 3HB ASP 176 -1.317 23.075 8.806 1135 H CYS 177 H CYS 177 2.636 22.567 7.921 1136 HA CYS 177 HA CYS 177 2.891 25.437 8.107 1137 HB2 CYS 177 2HB CYS 177 2.722 23.710 10.504 1138 HB3 CYS 177 3HB CYS 177 4.032 24.884 10.498 1139 HG CYS 177 HG CYS 177 0.936 26.008 9.726 1140 H GLU 178 H GLU 178 5.214 25.995 8.839 1141 HA GLU 178 HA GLU 178 6.993 24.523 7.140 1142 HB2 GLU 178 2HB GLU 178 8.689 26.184 7.937 1143 HB3 GLU 178 3HB GLU 178 7.254 26.900 7.219 1144 HG2 GLU 178 2HG GLU 178 6.898 26.586 10.049 1145 HG3 GLU 178 3HG GLU 178 8.384 27.469 9.707 1146 H HIS 179 H HIS 179 7.677 22.586 7.809 1147 HA HIS 179 HA HIS 179 7.943 21.765 10.478 1148 HB2 HIS 179 2HB HIS 179 9.153 20.694 7.928 1149 HB3 HIS 179 3HB HIS 179 9.347 19.900 9.488 1150 HD1 HIS 179 HD1 HIS 179 6.340 21.255 7.568 1151 HD2 HIS 179 HD2 HIS 179 7.561 17.897 9.688 1152 HE1 HIS 179 HE1 HIS 179 4.385 19.675 7.509 1153 H SER 180 H SER 180 9.159 23.124 11.733 1154 HA SER 180 HA SER 180 11.661 24.200 10.985 1155 HB2 SER 180 2HB SER 180 9.913 24.333 13.243 1156 HB3 SER 180 3HB SER 180 11.541 23.979 13.820 1157 HG SER 180 HG SER 180 10.587 26.304 13.046 1158 HA PRO 181 HA PRO 181 13.625 20.716 13.689 1159 HB2 PRO 181 2HB PRO 181 11.991 18.725 14.548 1160 HB3 PRO 181 3HB PRO 181 12.266 20.207 15.471 1161 HG2 PRO 181 2HG PRO 181 9.974 19.486 13.685 1162 HG3 PRO 181 3HG PRO 181 9.950 20.278 15.271 1163 HD2 PRO 181 2HD PRO 181 9.704 21.654 12.952 1164 HD3 PRO 181 3HD PRO 181 10.488 22.339 14.390 1165 H GLY 182 H GLY 182 14.784 19.336 12.498 1166 HA2 GLY 182 2HA GLY 182 13.404 17.871 10.344 1167 HA3 GLY 182 3HA GLY 182 15.099 18.334 10.324 1168 HA PRO 183 HA PRO 183 14.495 13.882 11.793 1169 HB2 PRO 183 2HB PRO 183 15.688 12.668 9.678 1170 HB3 PRO 183 3HB PRO 183 13.956 13.020 9.733 1171 HG2 PRO 183 2HG PRO 183 16.156 14.534 8.379 1172 HG3 PRO 183 3HG PRO 183 14.536 14.137 7.777 1173 HD2 PRO 183 2HD PRO 183 15.162 16.574 8.776 1174 HD3 PRO 183 3HD PRO 183 13.544 15.862 8.939 1175 H SER 184 H SER 184 16.199 12.431 12.430 1176 HA SER 184 HA SER 184 18.699 13.834 12.907 1177 HB2 SER 184 2HB SER 184 17.182 11.775 14.248 1178 HB3 SER 184 3HB SER 184 18.850 11.251 14.016 1179 HG SER 184 HG SER 184 19.465 12.650 15.455 1180 H GLU 185 H GLU 185 17.520 10.971 11.227 1181 HA GLU 185 HA GLU 185 19.907 9.733 10.582 1182 HB2 GLU 185 2HB GLU 185 18.701 8.887 8.553 1183 HB3 GLU 185 3HB GLU 185 17.839 8.650 10.067 1184 HG2 GLU 185 2HG GLU 185 16.082 9.573 9.089 1185 HG3 GLU 185 3HG GLU 185 16.945 11.108 9.169 Start of MODEL 4 1 H1 MET 1 H MET 1 3.363 -3.685 3.270 2 HA MET 1 HA MET 1 5.375 -2.932 2.476 3 HB2 MET 1 2HB MET 1 4.605 -5.245 1.187 4 HB3 MET 1 3HB MET 1 5.061 -4.193 -0.146 5 HG2 MET 1 2HG MET 1 7.077 -3.896 1.764 6 HG3 MET 1 3HG MET 1 6.720 -5.621 1.709 7 HE1 MET 1 1HE MET 1 6.391 -6.825 -0.826 8 HE2 MET 1 2HE MET 1 7.975 -6.831 -1.600 9 HE3 MET 1 3HE MET 1 7.837 -7.154 0.129 10 H ALA 2 H ALA 2 6.346 -2.355 -0.030 11 HA ALA 2 HA ALA 2 5.023 0.179 -0.553 12 HB1 ALA 2 1HB ALA 2 7.296 -0.365 -2.249 13 HB2 ALA 2 2HB ALA 2 7.059 0.916 -1.058 14 HB3 ALA 2 3HB ALA 2 7.676 -0.657 -0.551 15 H HIS 3 H HIS 3 3.513 0.365 -2.060 16 HA HIS 3 HA HIS 3 3.853 -0.795 -4.670 17 HB2 HIS 3 2HB HIS 3 2.819 -2.632 -3.241 18 HB3 HIS 3 3HB HIS 3 1.386 -1.614 -3.135 19 HD1 HIS 3 HD1 HIS 3 3.407 -3.599 -5.612 20 HD2 HIS 3 HD2 HIS 3 -0.240 -1.622 -5.371 21 HE1 HIS 3 HE1 HIS 3 2.149 -4.252 -7.690 22 H GLU 4 H GLU 4 2.557 0.173 -6.237 23 HA GLU 4 HA GLU 4 1.701 2.800 -5.693 24 HB2 GLU 4 2HB GLU 4 2.197 1.265 -7.971 25 HB3 GLU 4 3HB GLU 4 0.495 1.687 -8.085 26 HG2 GLU 4 2HG GLU 4 2.075 3.969 -7.313 27 HG3 GLU 4 3HG GLU 4 2.672 3.254 -8.809 28 H GLU 5 H GLU 5 -0.330 3.713 -5.522 29 HA GLU 5 HA GLU 5 -2.339 2.071 -4.325 30 HB2 GLU 5 2HB GLU 5 -2.295 4.982 -5.121 31 HB3 GLU 5 3HB GLU 5 -3.671 4.222 -4.333 32 HG2 GLU 5 2HG GLU 5 -1.977 3.531 -2.524 33 HG3 GLU 5 3HG GLU 5 -0.941 4.763 -3.241 34 H ASP 6 H ASP 6 -3.864 0.950 -5.322 35 HA ASP 6 HA ASP 6 -5.487 1.891 -7.389 36 HB2 ASP 6 2HB ASP 6 -3.011 1.204 -8.395 37 HB3 ASP 6 3HB ASP 6 -3.963 -0.251 -8.676 38 H GLY 7 H GLY 7 -5.624 0.423 -4.912 39 HA2 GLY 7 2HA GLY 7 -6.751 -1.348 -3.984 40 HA3 GLY 7 3HA GLY 7 -7.639 -1.403 -5.499 41 H VAL 8 H VAL 8 -4.281 -2.139 -4.549 42 HA VAL 8 HA VAL 8 -4.676 -4.903 -5.417 43 HB VAL 8 HB VAL 8 -2.126 -3.753 -6.332 44 HG11 VAL 8 1HG1 VAL 8 -3.792 -5.168 -8.248 45 HG12 VAL 8 2HG1 VAL 8 -2.170 -5.543 -7.665 46 HG13 VAL 8 3HG1 VAL 8 -3.581 -6.061 -6.742 47 HG21 VAL 8 1HG2 VAL 8 -4.730 -2.977 -7.640 48 HG22 VAL 8 2HG2 VAL 8 -3.536 -1.893 -6.928 49 HG23 VAL 8 3HG2 VAL 8 -3.143 -2.802 -8.387 50 H CYS 9 H CYS 9 -2.347 -6.032 -5.128 51 HA CYS 9 HA CYS 9 -1.609 -5.463 -2.348 52 HB2 CYS 9 2HB CYS 9 -1.013 -7.932 -3.990 53 HB3 CYS 9 3HB CYS 9 -0.772 -7.738 -2.258 54 HG CYS 9 HG CYS 9 -3.826 -7.717 -3.806 55 H ASN 10 H ASN 10 0.783 -6.278 -1.916 56 HA ASN 10 HA ASN 10 2.459 -4.558 -3.554 57 HB2 ASN 10 2HB ASN 10 3.173 -6.113 -1.058 58 HB3 ASN 10 3HB ASN 10 4.133 -4.842 -1.810 59 HD21 ASN 10 1HD2 ASN 10 1.388 -5.583 0.150 60 HD22 ASN 10 2HD2 ASN 10 1.037 -3.963 0.640 61 H SER 11 H SER 11 3.204 -7.700 -2.067 62 HA SER 11 HA SER 11 4.489 -8.486 -4.596 63 HB2 SER 11 2HB SER 11 5.843 -8.274 -2.393 64 HB3 SER 11 3HB SER 11 5.055 -9.786 -1.942 65 HG SER 11 HG SER 11 6.930 -10.345 -2.952 66 H ASN 12 H ASN 12 3.492 -9.995 -5.739 67 HA ASN 12 HA ASN 12 2.256 -11.816 -6.316 68 HB2 ASN 12 2HB ASN 12 3.313 -12.469 -3.688 69 HB3 ASN 12 3HB ASN 12 1.749 -13.229 -3.966 70 HD21 ASN 12 1HD2 ASN 12 2.337 -15.287 -4.290 71 HD22 ASN 12 2HD2 ASN 12 3.389 -15.822 -5.551 72 H ALA 13 H ALA 13 1.040 -11.512 -3.001 73 HA ALA 13 HA ALA 13 -1.234 -9.975 -3.576 74 HB1 ALA 13 1HB ALA 13 -1.435 -12.735 -4.374 75 HB2 ALA 13 2HB ALA 13 -2.625 -12.353 -3.129 76 HB3 ALA 13 3HB ALA 13 -2.573 -11.409 -4.618 77 HA PRO 14 HA PRO 14 -1.888 -12.114 0.695 78 HB2 PRO 14 2HB PRO 14 -0.251 -14.181 1.339 79 HB3 PRO 14 3HB PRO 14 -1.781 -14.399 0.483 80 HG2 PRO 14 2HG PRO 14 1.004 -14.298 -0.611 81 HG3 PRO 14 3HG PRO 14 -0.324 -15.396 -1.031 82 HD2 PRO 14 2HD PRO 14 0.334 -13.255 -2.554 83 HD3 PRO 14 3HD PRO 14 -1.333 -13.849 -2.411 84 H CYS 15 H CYS 15 0.934 -11.024 -0.674 85 HA CYS 15 HA CYS 15 2.316 -10.700 1.893 86 HB2 CYS 15 2HB CYS 15 3.329 -11.462 -0.503 87 HB3 CYS 15 3HB CYS 15 3.604 -9.726 -0.584 88 HG CYS 15 HG CYS 15 4.567 -11.171 2.289 89 H TYR 16 H TYR 16 1.901 -8.896 2.967 90 HA TYR 16 HA TYR 16 2.132 -6.329 1.734 91 HB2 TYR 16 2HB TYR 16 -0.243 -5.659 2.540 92 HB3 TYR 16 3HB TYR 16 -0.077 -6.505 1.005 93 HD1 TYR 16 HD1 TYR 16 -1.081 -6.864 4.535 94 HD2 TYR 16 HD2 TYR 16 -0.988 -8.693 0.695 95 HE1 TYR 16 HE1 TYR 16 -2.644 -8.590 5.326 96 HE2 TYR 16 HE2 TYR 16 -2.552 -10.424 1.475 97 HH TYR 16 HH TYR 16 -4.468 -10.293 3.725 98 H HIS 17 H HIS 17 1.697 -4.555 3.342 99 HA HIS 17 HA HIS 17 3.174 -4.872 5.636 100 HB2 HIS 17 2HB HIS 17 2.393 -2.704 4.572 101 HB3 HIS 17 3HB HIS 17 0.868 -2.936 5.422 102 HD1 HIS 17 HD1 HIS 17 1.456 -3.478 8.188 103 HD2 HIS 17 HD2 HIS 17 3.966 -1.025 5.965 104 HE1 HIS 17 HE1 HIS 17 2.712 -2.097 9.873 105 H CYS 18 H CYS 18 2.563 -4.864 7.899 106 HA CYS 18 HA CYS 18 -0.065 -5.583 8.724 107 HB2 CYS 18 2HB CYS 18 1.024 -7.861 9.684 108 HB3 CYS 18 3HB CYS 18 0.117 -7.778 8.178 109 HG CYS 18 HG CYS 18 3.527 -7.563 8.352 110 H ASP 19 H ASP 19 -0.083 -4.316 10.467 111 HA ASP 19 HA ASP 19 0.984 -3.059 12.179 112 HB2 ASP 19 2HB ASP 19 0.588 -5.874 13.217 113 HB3 ASP 19 3HB ASP 19 0.728 -4.430 14.216 114 H ALA 20 H ALA 20 2.323 -5.560 13.895 115 HA ALA 20 HA ALA 20 4.881 -4.527 14.018 116 HB1 ALA 20 1HB ALA 20 4.071 -7.405 14.417 117 HB2 ALA 20 2HB ALA 20 5.552 -6.651 15.008 118 HB3 ALA 20 3HB ALA 20 3.987 -6.131 15.633 119 H ASN 21 H ASN 21 4.068 -7.576 12.347 120 HA ASN 21 HA ASN 21 6.428 -7.939 10.995 121 HB2 ASN 21 2HB ASN 21 4.681 -8.905 9.163 122 HB3 ASN 21 3HB ASN 21 5.121 -9.761 10.638 123 HD21 ASN 21 1HD2 ASN 21 3.383 -6.965 11.282 124 HD22 ASN 21 2HD2 ASN 21 1.825 -7.679 11.504 125 H GLY 22 H GLY 22 3.920 -5.635 10.350 126 HA2 GLY 22 2HA GLY 22 4.504 -5.070 7.647 127 HA3 GLY 22 3HA GLY 22 3.704 -3.982 8.771 128 H GLU 23 H GLU 23 5.436 -3.223 10.556 129 HA GLU 23 HA GLU 23 7.224 -1.538 9.142 130 HB2 GLU 23 2HB GLU 23 6.672 -2.088 12.031 131 HB3 GLU 23 3HB GLU 23 8.105 -1.169 11.592 132 HG2 GLU 23 2HG GLU 23 5.256 -0.469 10.924 133 HG3 GLU 23 3HG GLU 23 6.282 0.319 12.122 134 H ASN 24 H ASN 24 7.478 -4.747 10.141 135 HA ASN 24 HA ASN 24 10.295 -4.803 10.669 136 HB2 ASN 24 2HB ASN 24 8.176 -6.892 10.267 137 HB3 ASN 24 3HB ASN 24 9.877 -7.349 10.292 138 HD21 ASN 24 1HD2 ASN 24 10.060 -8.376 12.177 139 HD22 ASN 24 2HD2 ASN 24 9.676 -7.696 13.719 140 H CYS 25 H CYS 25 8.248 -5.769 7.928 141 HA CYS 25 HA CYS 25 10.611 -5.528 6.195 142 HB2 CYS 25 2HB CYS 25 9.834 -7.460 4.884 143 HB3 CYS 25 3HB CYS 25 10.187 -7.909 6.549 144 HG CYS 25 HG CYS 25 7.507 -7.996 7.335 145 H SER 26 H SER 26 7.955 -4.039 6.922 146 HA SER 26 HA SER 26 7.426 -3.217 4.170 147 HB2 SER 26 2HB SER 26 4.939 -3.293 5.654 148 HB3 SER 26 3HB SER 26 5.319 -3.985 4.077 149 HG SER 26 HG SER 26 5.320 -5.847 5.026 150 H CYS 27 H CYS 27 6.945 -1.076 3.949 151 HA CYS 27 HA CYS 27 6.322 0.518 6.302 152 HB2 CYS 27 2HB CYS 27 8.163 2.126 5.792 153 HB3 CYS 27 3HB CYS 27 8.730 0.558 6.354 154 HG CYS 27 HG CYS 27 8.667 0.194 3.190 155 H ASN 28 H ASN 28 4.638 -0.051 4.227 156 HA ASN 28 HA ASN 28 3.951 2.550 3.304 157 HB2 ASN 28 2HB ASN 28 5.395 0.712 1.469 158 HB3 ASN 28 3HB ASN 28 4.006 1.568 0.805 159 HD21 ASN 28 1HD2 ASN 28 7.248 1.699 1.211 160 HD22 ASN 28 2HD2 ASN 28 7.492 3.405 1.092 161 H CYS 29 H CYS 29 2.633 0.620 4.808 162 HA CYS 29 HA CYS 29 0.131 0.519 3.565 163 HB2 CYS 29 2HB CYS 29 1.896 -1.695 2.915 164 HB3 CYS 29 3HB CYS 29 0.430 -2.250 3.716 165 HG CYS 29 HG CYS 29 -0.293 -2.542 1.162 166 H GLU 30 H GLU 30 -1.248 -1.365 4.761 167 HA GLU 30 HA GLU 30 -0.442 -1.979 7.421 168 HB2 GLU 30 2HB GLU 30 -0.820 0.262 8.005 169 HB3 GLU 30 3HB GLU 30 -2.225 0.393 6.957 170 HG2 GLU 30 2HG GLU 30 -2.643 0.309 9.456 171 HG3 GLU 30 3HG GLU 30 -3.592 -0.778 8.444 172 H LEU 31 H LEU 31 -1.158 -4.033 6.971 173 HA LEU 31 HA LEU 31 -4.053 -4.387 7.036 174 HB2 LEU 31 2HB LEU 31 -2.404 -4.877 4.727 175 HB3 LEU 31 3HB LEU 31 -3.142 -6.375 5.288 176 HG LEU 31 HG LEU 31 -4.647 -3.858 4.579 177 HD11 LEU 31 1HD1 LEU 31 -4.581 -4.502 2.462 178 HD12 LEU 31 2HD1 LEU 31 -5.241 -6.077 2.901 179 HD13 LEU 31 3HD1 LEU 31 -3.496 -5.821 2.903 180 HD21 LEU 31 1HD2 LEU 31 -5.804 -5.170 6.251 181 HD22 LEU 31 2HD2 LEU 31 -5.586 -6.634 5.293 182 HD23 LEU 31 3HD2 LEU 31 -6.617 -5.334 4.695 183 H PHE 32 H PHE 32 -4.664 -6.026 8.320 184 HA PHE 32 HA PHE 32 -2.822 -7.304 10.003 185 HB2 PHE 32 2HB PHE 32 -5.666 -8.135 9.387 186 HB3 PHE 32 3HB PHE 32 -4.723 -8.635 10.787 187 HD1 PHE 32 HD1 PHE 32 -7.088 -6.339 9.577 188 HD2 PHE 32 HD2 PHE 32 -3.811 -6.682 12.272 189 HE1 PHE 32 HE1 PHE 32 -7.910 -4.382 10.820 190 HE2 PHE 32 HE2 PHE 32 -4.629 -4.725 13.520 191 HZ PHE 32 HZ PHE 32 -6.681 -3.573 12.795 192 H ASP 33 H ASP 33 -1.299 -8.618 9.198 193 HA ASP 33 HA ASP 33 -2.203 -10.952 7.658 194 HB2 ASP 33 2HB ASP 33 -0.861 -8.961 6.435 195 HB3 ASP 33 3HB ASP 33 0.501 -9.903 7.037 196 H CYS 34 H CYS 34 -0.233 -12.569 7.527 197 HA CYS 34 HA CYS 34 1.438 -12.584 9.881 198 HB2 CYS 34 2HB CYS 34 -0.558 -13.458 10.890 199 HB3 CYS 34 3HB CYS 34 -0.815 -14.568 9.547 200 H GLU 35 H GLU 35 3.318 -13.508 9.390 201 HA GLU 35 HA GLU 35 3.640 -15.888 7.941 202 HB2 GLU 35 2HB GLU 35 3.348 -13.513 6.323 203 HB3 GLU 35 3HB GLU 35 4.945 -14.215 6.102 204 HG2 GLU 35 2HG GLU 35 2.612 -16.041 6.013 205 HG3 GLU 35 3HG GLU 35 2.863 -14.952 4.650 206 H ALA 36 H ALA 36 5.211 -16.523 9.299 207 HA ALA 36 HA ALA 36 7.425 -14.714 9.902 208 HB1 ALA 36 1HB ALA 36 6.791 -15.677 11.881 209 HB2 ALA 36 2HB ALA 36 6.370 -17.215 11.126 210 HB3 ALA 36 3HB ALA 36 8.063 -16.791 11.378 211 H LYS 37 H LYS 37 8.294 -14.810 7.727 212 HA LYS 37 HA LYS 37 10.330 -16.804 7.487 213 HB2 LYS 37 2HB LYS 37 7.899 -17.474 6.330 214 HB3 LYS 37 3HB LYS 37 8.834 -16.833 4.986 215 HG2 LYS 37 2HG LYS 37 10.671 -18.451 6.096 216 HG3 LYS 37 3HG LYS 37 9.192 -19.309 6.537 217 HD2 LYS 37 2HD LYS 37 8.789 -18.613 3.890 218 HD3 LYS 37 3HD LYS 37 10.497 -19.052 3.953 219 HE2 LYS 37 2HE LYS 37 9.586 -21.112 3.582 220 HE3 LYS 37 3HE LYS 37 9.557 -21.091 5.344 221 HZ1 LYS 37 1HZ LYS 37 7.429 -21.588 3.765 222 HZ2 LYS 37 2HZ LYS 37 7.211 -19.950 4.124 223 HZ3 LYS 37 3HZ LYS 37 7.338 -21.080 5.376 224 H LYS 38 H LYS 38 10.951 -16.513 4.800 225 HA LYS 38 HA LYS 38 10.884 -13.850 3.873 226 HB2 LYS 38 2HB LYS 38 12.351 -13.523 5.859 227 HB3 LYS 38 3HB LYS 38 13.495 -14.664 5.164 228 HG2 LYS 38 2HG LYS 38 14.417 -12.675 4.518 229 HG3 LYS 38 3HG LYS 38 13.411 -13.041 3.115 230 HD2 LYS 38 2HD LYS 38 11.620 -11.625 4.113 231 HD3 LYS 38 3HD LYS 38 12.751 -11.174 5.391 232 HE2 LYS 38 2HE LYS 38 14.087 -10.774 2.943 233 HE3 LYS 38 3HE LYS 38 12.472 -10.094 2.753 234 HZ1 LYS 38 1HZ LYS 38 13.034 -8.378 4.011 235 HZ2 LYS 38 2HZ LYS 38 14.628 -8.944 4.039 236 HZ3 LYS 38 3HZ LYS 38 13.553 -9.382 5.271 237 HA PRO 39 HA PRO 39 12.088 -16.130 0.292 238 HB2 PRO 39 2HB PRO 39 12.558 -14.029 -1.361 239 HB3 PRO 39 3HB PRO 39 10.931 -14.550 -0.908 240 HG2 PRO 39 2HG PRO 39 12.580 -12.311 0.200 241 HG3 PRO 39 3HG PRO 39 10.855 -12.332 -0.211 242 HD2 PRO 39 2HD PRO 39 11.750 -12.591 2.332 243 HD3 PRO 39 3HD PRO 39 10.271 -13.386 1.754 244 H ASP 40 H ASP 40 14.090 -13.419 1.389 245 HA ASP 40 HA ASP 40 16.477 -14.894 1.385 246 HB2 ASP 40 2HB ASP 40 15.906 -14.478 -1.160 247 HB3 ASP 40 3HB ASP 40 16.585 -12.887 -0.827 248 H GLY 41 H GLY 41 15.703 -13.509 3.384 249 HA2 GLY 41 2HA GLY 41 17.622 -11.378 3.615 250 HA3 GLY 41 3HA GLY 41 15.960 -10.806 3.628 251 H SER 42 H SER 42 14.686 -11.139 5.417 252 HA SER 42 HA SER 42 16.029 -12.377 7.731 253 HB2 SER 42 2HB SER 42 14.073 -10.513 8.626 254 HB3 SER 42 3HB SER 42 15.824 -10.435 8.826 255 HG SER 42 HG SER 42 15.749 -9.577 6.558 256 H TYR 43 H TYR 43 15.069 -14.309 7.939 257 HA TYR 43 HA TYR 43 12.298 -14.738 7.344 258 HB2 TYR 43 2HB TYR 43 14.055 -16.635 8.887 259 HB3 TYR 43 3HB TYR 43 12.692 -17.013 7.840 260 HD1 TYR 43 HD1 TYR 43 16.221 -15.934 7.896 261 HD2 TYR 43 HD2 TYR 43 12.981 -17.274 5.486 262 HE1 TYR 43 HE1 TYR 43 17.771 -16.289 6.020 263 HE2 TYR 43 HE2 TYR 43 14.522 -17.635 3.604 264 HH TYR 43 HH TYR 43 17.391 -18.100 3.638 265 H ALA 44 H ALA 44 10.589 -14.878 8.702 266 HA ALA 44 HA ALA 44 9.559 -15.234 10.807 267 HB1 ALA 44 1HB ALA 44 10.688 -14.992 12.842 268 HB2 ALA 44 2HB ALA 44 11.893 -15.678 11.750 269 HB3 ALA 44 3HB ALA 44 11.929 -13.957 12.133 270 H HIS 45 H HIS 45 8.019 -13.833 11.399 271 HA HIS 45 HA HIS 45 8.583 -11.021 11.746 272 HB2 HIS 45 2HB HIS 45 6.763 -11.974 9.526 273 HB3 HIS 45 3HB HIS 45 6.850 -10.310 10.096 274 HD1 HIS 45 HD1 HIS 45 8.246 -12.514 7.623 275 HD2 HIS 45 HD2 HIS 45 9.603 -9.218 9.757 276 HE1 HIS 45 HE1 HIS 45 10.242 -11.666 6.351 277 HA PRO 46 HA PRO 46 5.416 -11.753 14.750 278 HB2 PRO 46 2HB PRO 46 5.130 -9.182 15.573 279 HB3 PRO 46 3HB PRO 46 6.505 -10.192 16.037 280 HG2 PRO 46 2HG PRO 46 6.324 -8.108 13.896 281 HG3 PRO 46 3HG PRO 46 7.627 -8.404 15.061 282 HD2 PRO 46 2HD PRO 46 7.749 -9.251 12.492 283 HD3 PRO 46 3HD PRO 46 8.504 -10.143 13.829 284 H CYS 47 H CYS 47 3.479 -12.274 13.899 285 HA CYS 47 HA CYS 47 1.952 -10.160 12.530 286 HB2 CYS 47 2HB CYS 47 0.654 -11.999 11.496 287 HB3 CYS 47 3HB CYS 47 2.366 -12.073 11.090 288 H ARG 48 H ARG 48 -0.509 -10.570 12.743 289 HA ARG 48 HA ARG 48 -1.276 -10.099 15.365 290 HB2 ARG 48 2HB ARG 48 -3.608 -10.711 14.525 291 HB3 ARG 48 3HB ARG 48 -2.771 -9.418 13.677 292 HG2 ARG 48 2HG ARG 48 -2.827 -10.522 11.751 293 HG3 ARG 48 3HG ARG 48 -2.228 -12.005 12.498 294 HD2 ARG 48 2HD ARG 48 -4.727 -12.001 13.464 295 HD3 ARG 48 3HD ARG 48 -5.001 -11.128 11.957 296 HE ARG 48 HE ARG 48 -4.496 -13.911 12.245 297 HH11 ARG 48 1HH1 ARG 48 -3.935 -11.187 10.151 298 HH12 ARG 48 2HH1 ARG 48 -3.793 -12.151 8.719 299 HH21 ARG 48 1HH2 ARG 48 -4.310 -15.191 10.367 300 HH22 ARG 48 2HH2 ARG 48 -4.008 -14.428 8.842 301 H ARG 49 H ARG 49 -0.176 -11.748 16.584 302 HA ARG 49 HA ARG 49 -1.788 -13.753 17.565 303 HB2 ARG 49 2HB ARG 49 -0.553 -14.498 15.071 304 HB3 ARG 49 3HB ARG 49 0.040 -15.529 16.367 305 HG2 ARG 49 2HG ARG 49 -2.853 -15.129 16.408 306 HG3 ARG 49 3HG ARG 49 -2.254 -15.929 14.953 307 HD2 ARG 49 2HD ARG 49 -1.453 -17.745 16.120 308 HD3 ARG 49 3HD ARG 49 -1.274 -16.834 17.619 309 HE ARG 49 HE ARG 49 -4.006 -17.105 16.829 310 HH11 ARG 49 1HH1 ARG 49 -1.355 -18.722 18.402 311 HH12 ARG 49 2HH1 ARG 49 -2.375 -19.744 19.359 312 HH21 ARG 49 1HH2 ARG 49 -5.360 -18.445 18.083 313 HH22 ARG 49 2HH2 ARG 49 -4.654 -19.586 19.176 314 H CYS 50 H CYS 50 -1.009 -14.069 19.536 315 HA CYS 50 HA CYS 50 1.182 -13.074 20.685 316 HB2 CYS 50 2HB CYS 50 1.181 -15.234 22.157 317 HB3 CYS 50 3HB CYS 50 -0.219 -14.168 22.173 318 HG CYS 50 HG CYS 50 -0.486 -16.508 19.832 319 H ASP 51 H ASP 51 3.044 -12.988 19.489 320 HA ASP 51 HA ASP 51 4.938 -14.989 19.768 321 HB2 ASP 51 2HB ASP 51 4.237 -16.494 18.235 322 HB3 ASP 51 3HB ASP 51 3.201 -15.325 17.421 323 H ALA 52 H ALA 52 6.921 -14.173 19.359 324 HA ALA 52 HA ALA 52 7.033 -11.618 17.896 325 HB1 ALA 52 1HB ALA 52 7.923 -12.308 20.495 326 HB2 ALA 52 2HB ALA 52 9.347 -11.977 19.507 327 HB3 ALA 52 3HB ALA 52 8.076 -10.764 19.656 328 H ASN 53 H ASN 53 8.462 -11.362 16.258 329 HA ASN 53 HA ASN 53 10.332 -13.569 15.715 330 HB2 ASN 53 2HB ASN 53 8.581 -12.123 13.716 331 HB3 ASN 53 3HB ASN 53 9.864 -13.249 13.286 332 HD21 ASN 53 1HD2 ASN 53 9.675 -15.424 14.396 333 HD22 ASN 53 2HD2 ASN 53 8.094 -16.118 14.455 334 H ASN 54 H ASN 54 12.323 -12.794 15.897 335 HA ASN 54 HA ASN 54 12.897 -10.134 14.769 336 HB2 ASN 54 2HB ASN 54 14.823 -10.256 16.592 337 HB3 ASN 54 3HB ASN 54 13.218 -9.650 16.992 338 HD21 ASN 54 1HD2 ASN 54 11.696 -11.745 17.379 339 HD22 ASN 54 2HD2 ASN 54 12.312 -12.778 18.619 340 H ILE 55 H ILE 55 14.052 -10.415 12.981 341 HA ILE 55 HA ILE 55 16.319 -12.285 13.065 342 HB ILE 55 HB ILE 55 14.817 -13.509 11.756 343 HG12 ILE 55 2HG1 ILE 55 15.776 -13.518 9.543 344 HG13 ILE 55 3HG1 ILE 55 16.308 -11.849 9.715 345 HG21 ILE 55 1HG2 ILE 55 13.579 -12.417 9.825 346 HG22 ILE 55 2HG2 ILE 55 13.026 -12.016 11.450 347 HG23 ILE 55 3HG2 ILE 55 14.025 -10.874 10.552 348 HD11 ILE 55 1HD1 ILE 55 17.439 -14.330 10.914 349 HD12 ILE 55 2HD1 ILE 55 18.252 -13.016 10.064 350 HD13 ILE 55 3HD1 ILE 55 17.679 -12.778 11.715 351 H CYS 56 H CYS 56 18.092 -11.089 12.896 352 HA CYS 56 HA CYS 56 18.037 -8.702 11.180 353 HB2 CYS 56 2HB CYS 56 20.143 -8.090 12.463 354 HB3 CYS 56 3HB CYS 56 18.646 -8.081 13.387 355 HG CYS 56 HG CYS 56 19.381 -9.760 15.189 356 H LYS 57 H LYS 57 18.442 -9.694 9.207 357 HA LYS 57 HA LYS 57 19.640 -11.300 7.866 358 HB2 LYS 57 2HB LYS 57 21.394 -9.898 6.818 359 HB3 LYS 57 3HB LYS 57 19.868 -9.047 7.014 360 HG2 LYS 57 2HG LYS 57 21.403 -8.569 9.338 361 HG3 LYS 57 3HG LYS 57 22.453 -8.318 7.942 362 HD2 LYS 57 2HD LYS 57 20.369 -6.997 7.028 363 HD3 LYS 57 3HD LYS 57 19.970 -6.875 8.743 364 HE2 LYS 57 2HE LYS 57 21.495 -5.285 9.043 365 HE3 LYS 57 3HE LYS 57 22.752 -6.288 8.319 366 HZ1 LYS 57 1HZ LYS 57 21.544 -5.538 6.128 367 HZ2 LYS 57 2HZ LYS 57 22.723 -4.568 6.855 368 HZ3 LYS 57 3HZ LYS 57 21.083 -4.225 7.089 369 H CYS 58 H CYS 58 20.184 -12.146 10.455 370 HA CYS 58 HA CYS 58 22.839 -13.205 10.100 371 HB2 CYS 58 2HB CYS 58 23.283 -11.055 11.250 372 HB3 CYS 58 3HB CYS 58 22.231 -11.561 12.566 373 HG CYS 58 HG CYS 58 25.424 -12.169 12.120 374 H SER 59 H SER 59 20.300 -12.778 12.567 375 HA SER 59 HA SER 59 20.101 -15.692 12.778 376 HB2 SER 59 2HB SER 59 20.087 -15.589 15.231 377 HB3 SER 59 3HB SER 59 21.610 -14.974 14.588 378 HG SER 59 HG SER 59 19.789 -13.723 16.124 379 H CYS 60 H CYS 60 18.055 -16.342 12.704 380 HA CYS 60 HA CYS 60 15.946 -14.350 13.173 381 HB2 CYS 60 2HB CYS 60 14.514 -15.988 11.864 382 HB3 CYS 60 3HB CYS 60 15.795 -15.192 10.957 383 HG CYS 60 HG CYS 60 16.609 -17.404 9.957 384 H THR 61 H THR 61 14.335 -14.703 14.622 385 HA THR 61 HA THR 61 14.309 -17.270 16.056 386 HB THR 61 HB THR 61 14.251 -16.269 18.186 387 HG1 THR 61 HG1 THR 61 13.679 -13.904 16.751 388 HG21 THR 61 1HG2 THR 61 16.223 -14.600 16.623 389 HG22 THR 61 2HG2 THR 61 16.495 -16.272 17.112 390 HG23 THR 61 3HG2 THR 61 16.306 -15.015 18.334 391 H ALA 62 H ALA 62 12.329 -18.074 16.458 392 HA ALA 62 HA ALA 62 10.009 -16.299 16.092 393 HB1 ALA 62 1HB ALA 62 10.210 -17.581 14.071 394 HB2 ALA 62 2HB ALA 62 10.354 -19.082 14.986 395 HB3 ALA 62 3HB ALA 62 8.833 -18.189 14.991 396 H ILE 63 H ILE 63 9.035 -16.160 18.002 397 HA ILE 63 HA ILE 63 8.415 -18.632 19.443 398 HB ILE 63 HB ILE 63 8.845 -16.890 21.520 399 HG12 ILE 63 2HG1 ILE 63 11.188 -16.604 19.631 400 HG13 ILE 63 3HG1 ILE 63 9.979 -15.351 19.888 401 HG21 ILE 63 1HG2 ILE 63 9.496 -19.373 21.031 402 HG22 ILE 63 2HG2 ILE 63 11.061 -18.672 20.620 403 HG23 ILE 63 3HG2 ILE 63 10.387 -18.441 22.234 404 HD11 ILE 63 1HD1 ILE 63 11.983 -16.425 21.842 405 HD12 ILE 63 2HD1 ILE 63 11.809 -14.777 21.238 406 HD13 ILE 63 3HD1 ILE 63 10.601 -15.447 22.335 407 HA PRO 64 HA PRO 64 4.452 -16.887 20.154 408 HB2 PRO 64 2HB PRO 64 3.902 -17.600 22.715 409 HB3 PRO 64 3HB PRO 64 3.929 -18.759 21.381 410 HG2 PRO 64 2HG PRO 64 6.038 -18.171 23.422 411 HG3 PRO 64 3HG PRO 64 5.490 -19.738 22.799 412 HD2 PRO 64 2HD PRO 64 7.756 -18.538 21.930 413 HD3 PRO 64 3HD PRO 64 6.754 -19.560 20.880 414 H CYS 65 H CYS 65 3.180 -15.727 22.144 415 HA CYS 65 HA CYS 65 3.911 -13.129 22.234 416 HB2 CYS 65 2HB CYS 65 2.704 -13.052 24.507 417 HB3 CYS 65 3HB CYS 65 1.797 -13.636 23.117 418 HG CYS 65 HG CYS 65 3.367 -15.900 25.099 419 H ASN 66 H ASN 66 6.176 -12.941 22.386 420 HA ASN 66 HA ASN 66 7.689 -13.898 24.574 421 HB2 ASN 66 2HB ASN 66 9.499 -12.747 23.649 422 HB3 ASN 66 3HB ASN 66 8.484 -13.070 22.246 423 HD21 ASN 66 1HD2 ASN 66 6.767 -11.265 21.931 424 HD22 ASN 66 2HD2 ASN 66 7.394 -9.656 21.979 425 H GLU 67 H GLU 67 5.445 -11.396 24.353 426 HA GLU 67 HA GLU 67 6.580 -10.044 26.711 427 HB2 GLU 67 2HB GLU 67 4.926 -8.195 26.036 428 HB3 GLU 67 3HB GLU 67 6.370 -8.403 25.055 429 HG2 GLU 67 2HG GLU 67 5.198 -8.922 23.235 430 HG3 GLU 67 3HG GLU 67 4.114 -9.991 24.124 431 H ASP 68 H ASP 68 5.475 -12.250 27.493 432 HA ASP 68 HA ASP 68 3.085 -13.051 27.884 433 HB2 ASP 68 2HB ASP 68 4.822 -13.586 29.516 434 HB3 ASP 68 3HB ASP 68 4.660 -11.987 30.238 435 H HIS 69 H HIS 69 1.728 -11.412 26.885 436 HA HIS 69 HA HIS 69 0.778 -9.397 28.815 437 HB2 HIS 69 2HB HIS 69 0.041 -8.054 26.923 438 HB3 HIS 69 3HB HIS 69 1.753 -8.430 26.758 439 HD1 HIS 69 HD1 HIS 69 2.068 -10.798 25.218 440 HD2 HIS 69 HD2 HIS 69 -1.254 -8.384 24.587 441 HE1 HIS 69 HE1 HIS 69 1.233 -11.391 22.922 442 HA PRO 70 HA PRO 70 -2.963 -11.765 28.925 443 HB2 PRO 70 2HB PRO 70 -4.454 -9.958 30.297 444 HB3 PRO 70 3HB PRO 70 -3.216 -10.961 31.063 445 HG2 PRO 70 2HG PRO 70 -3.051 -8.114 30.151 446 HG3 PRO 70 3HG PRO 70 -2.444 -8.846 31.648 447 HD2 PRO 70 2HD PRO 70 -0.840 -8.312 29.532 448 HD3 PRO 70 3HD PRO 70 -0.560 -9.687 30.620 449 H CYS 71 H CYS 71 -2.394 -9.000 27.139 450 HA CYS 71 HA CYS 71 -5.142 -8.650 26.244 451 HB2 CYS 71 2HB CYS 71 -2.674 -7.253 25.206 452 HB3 CYS 71 3HB CYS 71 -4.349 -6.745 25.025 453 HG CYS 71 HG CYS 71 -2.237 -5.822 27.277 454 H HIS 72 H HIS 72 -5.614 -8.625 23.906 455 HA HIS 72 HA HIS 72 -5.044 -11.056 22.690 456 HB2 HIS 72 2HB HIS 72 -5.995 -8.450 21.494 457 HB3 HIS 72 3HB HIS 72 -5.927 -9.961 20.593 458 HD1 HIS 72 HD1 HIS 72 -7.031 -9.997 24.159 459 HD2 HIS 72 HD2 HIS 72 -8.722 -10.038 20.364 460 HE1 HIS 72 HE1 HIS 72 -9.449 -10.593 24.506 461 H HIS 73 H HIS 73 -4.030 -11.298 20.472 462 HA HIS 73 HA HIS 73 -1.292 -10.830 20.613 463 HB2 HIS 73 2HB HIS 73 -1.380 -11.333 18.084 464 HB3 HIS 73 3HB HIS 73 -1.946 -12.577 19.195 465 HD1 HIS 73 HD1 HIS 73 -3.229 -10.024 16.743 466 HD2 HIS 73 HD2 HIS 73 -4.603 -13.278 18.930 467 HE1 HIS 73 HE1 HIS 73 -5.532 -10.506 15.856 468 H CYS 74 H CYS 74 -1.374 -8.513 21.219 469 HA CYS 74 HA CYS 74 -0.616 -6.891 19.008 470 HB2 CYS 74 2HB CYS 74 -2.567 -5.192 19.979 471 HB3 CYS 74 3HB CYS 74 -2.641 -6.084 18.464 472 HG CYS 74 HG CYS 74 -4.091 -8.219 19.509 473 H HIS 75 H HIS 75 -0.094 -4.625 19.727 474 HA HIS 75 HA HIS 75 1.682 -4.556 21.781 475 HB2 HIS 75 2HB HIS 75 1.659 -2.192 21.645 476 HB3 HIS 75 3HB HIS 75 1.218 -2.757 20.036 477 HD1 HIS 75 HD1 HIS 75 0.073 -0.622 22.766 478 HD2 HIS 75 HD2 HIS 75 -1.635 -2.533 19.496 479 HE1 HIS 75 HE1 HIS 75 -2.161 0.484 22.432 480 H GLU 76 H GLU 76 1.634 -3.515 23.900 481 HA GLU 76 HA GLU 76 -0.148 -4.634 25.661 482 HB2 GLU 76 2HB GLU 76 1.938 -3.644 26.403 483 HB3 GLU 76 3HB GLU 76 1.377 -2.041 25.947 484 HG2 GLU 76 2HG GLU 76 1.140 -2.141 28.269 485 HG3 GLU 76 3HG GLU 76 -0.486 -2.366 27.629 486 H GLU 77 H GLU 77 -2.300 -4.484 25.417 487 HA GLU 77 HA GLU 77 -3.500 -1.857 24.921 488 HB2 GLU 77 2HB GLU 77 -4.050 -4.318 23.835 489 HB3 GLU 77 3HB GLU 77 -5.293 -4.175 25.070 490 HG2 GLU 77 2HG GLU 77 -5.316 -1.708 23.830 491 HG3 GLU 77 3HG GLU 77 -5.056 -2.846 22.509 492 H ASP 78 H ASP 78 -6.023 -2.316 25.995 493 HA ASP 78 HA ASP 78 -5.418 -2.184 28.867 494 HB2 ASP 78 2HB ASP 78 -6.574 -0.264 27.502 495 HB3 ASP 78 3HB ASP 78 -8.015 -1.261 27.691 496 H ASP 79 H ASP 79 -5.773 -4.680 27.403 497 HA ASP 79 HA ASP 79 -8.372 -5.719 27.970 498 HB2 ASP 79 2HB ASP 79 -6.347 -6.520 26.351 499 HB3 ASP 79 3HB ASP 79 -6.131 -7.626 27.704 500 H GLY 80 H GLY 80 -8.235 -8.024 29.218 501 HA2 GLY 80 2HA GLY 80 -7.104 -9.009 31.214 502 HA3 GLY 80 3HA GLY 80 -7.096 -7.378 31.868 503 H ASP 81 H ASP 81 -8.276 -7.923 33.696 504 HA ASP 81 HA ASP 81 -11.026 -8.860 33.240 505 HB2 ASP 81 2HB ASP 81 -9.299 -9.972 34.907 506 HB3 ASP 81 3HB ASP 81 -9.837 -8.680 35.976 507 H THR 82 H THR 82 -12.546 -7.979 35.075 508 HA THR 82 HA THR 82 -13.180 -5.382 34.571 509 HB THR 82 HB THR 82 -13.577 -6.561 37.317 510 HG1 THR 82 HG1 THR 82 -14.420 -7.518 34.909 511 HG21 THR 82 1HG2 THR 82 -14.986 -4.521 35.628 512 HG22 THR 82 2HG2 THR 82 -14.435 -4.393 37.299 513 HG23 THR 82 3HG2 THR 82 -15.842 -5.381 36.907 514 H HIS 83 H HIS 83 -11.705 -6.298 37.685 515 HA HIS 83 HA HIS 83 -11.016 -3.819 38.588 516 HB2 HIS 83 2HB HIS 83 -9.435 -6.380 38.887 517 HB3 HIS 83 3HB HIS 83 -9.174 -4.929 39.850 518 HD1 HIS 83 HD1 HIS 83 -12.624 -4.866 39.617 519 HD2 HIS 83 HD2 HIS 83 -9.998 -7.387 41.620 520 HE1 HIS 83 HE1 HIS 83 -13.979 -5.932 41.448 521 H CYS 84 H CYS 84 -9.031 -5.903 36.501 522 HA CYS 84 HA CYS 84 -6.789 -4.296 36.281 523 HB2 CYS 84 2HB CYS 84 -8.042 -6.079 34.184 524 HB3 CYS 84 3HB CYS 84 -6.415 -5.418 34.090 525 HG CYS 84 HG CYS 84 -5.484 -6.791 36.342 526 H HIS 85 H HIS 85 -9.851 -4.110 34.550 527 HA HIS 85 HA HIS 85 -9.026 -2.125 32.691 528 HB2 HIS 85 2HB HIS 85 -11.731 -3.068 33.629 529 HB3 HIS 85 3HB HIS 85 -11.547 -1.779 32.443 530 HD1 HIS 85 HD1 HIS 85 -9.605 -5.035 32.624 531 HD2 HIS 85 HD2 HIS 85 -12.284 -3.044 30.150 532 HE1 HIS 85 HE1 HIS 85 -9.768 -6.437 30.543 533 H CYS 86 H CYS 86 -10.283 -2.041 35.944 534 HA CYS 86 HA CYS 86 -10.924 0.751 35.924 535 HB2 CYS 86 2HB CYS 86 -10.732 -1.362 38.046 536 HB3 CYS 86 3HB CYS 86 -10.875 0.331 38.501 537 HG CYS 86 HG CYS 86 -13.136 -0.807 36.273 538 H SER 87 H SER 87 -8.137 -1.189 36.797 539 HA SER 87 HA SER 87 -6.728 1.058 37.956 540 HB2 SER 87 2HB SER 87 -5.712 -1.716 37.291 541 HB3 SER 87 3HB SER 87 -4.898 -0.521 38.301 542 HG SER 87 HG SER 87 -6.513 -2.334 39.141 543 H CYS 88 H CYS 88 -7.061 -0.440 34.874 544 HA CYS 88 HA CYS 88 -4.615 0.690 33.806 545 HB2 CYS 88 2HB CYS 88 -6.799 -1.054 32.733 546 HB3 CYS 88 3HB CYS 88 -5.757 -0.195 31.605 547 HG CYS 88 HG CYS 88 -4.463 -2.203 34.043 548 H GLU 89 H GLU 89 -8.077 1.309 33.706 549 HA GLU 89 HA GLU 89 -7.964 3.328 31.707 550 HB2 GLU 89 2HB GLU 89 -10.005 1.985 32.489 551 HB3 GLU 89 3HB GLU 89 -10.086 3.116 33.833 552 HG2 GLU 89 2HG GLU 89 -9.857 4.477 31.289 553 HG3 GLU 89 3HG GLU 89 -11.257 3.408 31.348 554 H HIS 90 H HIS 90 -7.519 3.295 35.159 555 HA HIS 90 HA HIS 90 -7.553 6.208 35.309 556 HB2 HIS 90 2HB HIS 90 -7.177 4.104 37.450 557 HB3 HIS 90 3HB HIS 90 -7.212 5.840 37.747 558 HD1 HIS 90 HD1 HIS 90 -9.557 3.691 35.658 559 HD2 HIS 90 HD2 HIS 90 -9.613 6.265 38.919 560 HE1 HIS 90 HE1 HIS 90 -11.981 3.929 36.284 561 H SER 91 H SER 91 -5.329 3.532 35.275 562 HA SER 91 HA SER 91 -3.070 5.105 36.144 563 HB2 SER 91 2HB SER 91 -3.169 2.709 36.664 564 HB3 SER 91 3HB SER 91 -3.188 2.327 34.943 565 HG SER 91 HG SER 91 -1.114 3.210 34.775 566 H HIS 92 H HIS 92 -4.282 3.777 33.097 567 HA HIS 92 HA HIS 92 -2.090 4.765 31.544 568 HB2 HIS 92 2HB HIS 92 -4.821 3.771 30.706 569 HB3 HIS 92 3HB HIS 92 -3.498 4.123 29.599 570 HD1 HIS 92 HD1 HIS 92 -1.239 2.773 31.331 571 HD2 HIS 92 HD2 HIS 92 -4.881 1.047 30.323 572 HE1 HIS 92 HE1 HIS 92 -0.870 0.290 31.480 573 H ASP 93 H ASP 93 -5.258 5.948 32.443 574 HA ASP 93 HA ASP 93 -5.226 8.142 30.585 575 HB2 ASP 93 2HB ASP 93 -7.336 7.121 31.394 576 HB3 ASP 93 3HB ASP 93 -6.977 7.709 33.015 577 H HIS 94 H HIS 94 -3.804 7.523 33.597 578 HA HIS 94 HA HIS 94 -3.832 10.088 34.761 579 HB2 HIS 94 2HB HIS 94 -3.109 7.797 35.761 580 HB3 HIS 94 3HB HIS 94 -1.527 8.191 35.094 581 HD1 HIS 94 HD1 HIS 94 -0.503 10.546 35.986 582 HD2 HIS 94 HD2 HIS 94 -3.602 8.888 38.201 583 HE1 HIS 94 HE1 HIS 94 -0.404 11.676 38.230 584 H HIS 95 H HIS 95 -1.049 8.495 33.196 585 HA HIS 95 HA HIS 95 -0.358 11.056 31.945 586 HB2 HIS 95 2HB HIS 95 1.178 9.617 33.994 587 HB3 HIS 95 3HB HIS 95 2.115 10.042 32.565 588 HD1 HIS 95 HD1 HIS 95 1.469 12.768 31.863 589 HD2 HIS 95 HD2 HIS 95 1.423 11.560 35.838 590 HE1 HIS 95 HE1 HIS 95 1.716 14.877 33.210 591 H ASP 96 H ASP 96 -0.106 7.571 32.032 592 HA ASP 96 HA ASP 96 1.553 7.133 29.835 593 HB2 ASP 96 2HB ASP 96 -0.804 5.355 30.371 594 HB3 ASP 96 3HB ASP 96 0.831 4.916 29.885 595 H ASP 97 H ASP 97 -1.586 8.444 29.959 596 HA ASP 97 HA ASP 97 -2.367 7.689 27.290 597 HB2 ASP 97 2HB ASP 97 -4.084 8.056 28.980 598 HB3 ASP 97 3HB ASP 97 -3.536 9.714 29.209 599 H ASP 98 H ASP 98 0.013 9.598 28.257 600 HA ASP 98 HA ASP 98 -0.266 11.370 25.934 601 HB2 ASP 98 2HB ASP 98 0.251 12.158 28.772 602 HB3 ASP 98 3HB ASP 98 1.014 13.080 27.480 603 H THR 99 H THR 99 1.143 9.014 25.912 604 HA THR 99 HA THR 99 3.933 9.963 25.886 605 HB THR 99 HB THR 99 4.554 7.511 26.243 606 HG1 THR 99 HG1 THR 99 2.046 7.258 27.497 607 HG21 THR 99 1HG2 THR 99 3.178 9.001 28.482 608 HG22 THR 99 2HG2 THR 99 4.854 9.207 27.974 609 HG23 THR 99 3HG2 THR 99 4.328 7.681 28.683 610 H HIS 100 H HIS 100 2.916 6.795 24.843 611 HA HIS 100 HA HIS 100 2.167 6.490 22.477 612 HB2 HIS 100 2HB HIS 100 2.932 8.670 21.714 613 HB3 HIS 100 3HB HIS 100 4.605 8.226 22.038 614 HD1 HIS 100 HD1 HIS 100 1.826 6.570 20.015 615 HD2 HIS 100 HD2 HIS 100 5.806 7.717 19.683 616 HE1 HIS 100 HE1 HIS 100 2.540 5.862 17.710 617 H GLY 101 H GLY 101 3.352 5.044 20.923 618 HA2 GLY 101 2HA GLY 101 4.842 3.106 22.433 619 HA3 GLY 101 3HA GLY 101 4.395 2.989 20.737 620 H GLU 102 H GLU 102 6.461 5.140 22.699 621 HA GLU 102 HA GLU 102 8.810 4.333 21.241 622 HB2 GLU 102 2HB GLU 102 8.569 5.865 19.611 623 HB3 GLU 102 3HB GLU 102 7.327 6.740 20.495 624 HG2 GLU 102 2HG GLU 102 8.972 8.317 20.393 625 HG3 GLU 102 3HG GLU 102 9.346 7.556 21.938 626 H CYS 103 H CYS 103 10.760 5.564 21.996 627 HA CYS 103 HA CYS 103 10.568 5.922 24.874 628 HB2 CYS 103 2HB CYS 103 13.200 6.314 24.291 629 HB3 CYS 103 3HB CYS 103 12.479 4.742 24.621 630 H THR 104 H THR 104 11.346 7.756 25.983 631 HA THR 104 HA THR 104 11.533 10.199 24.344 632 HB THR 104 HB THR 104 9.416 9.700 25.934 633 HG1 THR 104 HG1 THR 104 10.232 11.667 24.566 634 HG21 THR 104 1HG2 THR 104 9.654 10.932 28.027 635 HG22 THR 104 2HG2 THR 104 11.355 11.232 27.672 636 HG23 THR 104 3HG2 THR 104 10.792 9.587 27.968 637 H LYS 105 H LYS 105 13.076 8.197 26.508 638 HA LYS 105 HA LYS 105 14.956 10.337 27.240 639 HB2 LYS 105 2HB LYS 105 14.835 8.169 29.189 640 HB3 LYS 105 3HB LYS 105 14.830 9.909 29.442 641 HG2 LYS 105 2HG LYS 105 12.455 10.006 29.050 642 HG3 LYS 105 3HG LYS 105 12.422 8.290 28.639 643 HD2 LYS 105 2HD LYS 105 12.012 7.866 30.785 644 HD3 LYS 105 3HD LYS 105 13.649 8.420 31.144 645 HE2 LYS 105 2HE LYS 105 11.496 10.451 30.829 646 HE3 LYS 105 3HE LYS 105 11.536 9.494 32.309 647 HZ1 LYS 105 1HZ LYS 105 12.958 11.753 31.860 648 HZ2 LYS 105 2HZ LYS 105 14.102 10.545 31.561 649 HZ3 LYS 105 3HZ LYS 105 13.305 10.603 33.051 650 H LYS 106 H LYS 106 16.982 9.075 28.322 651 HA LYS 106 HA LYS 106 18.244 7.756 26.179 652 HB2 LYS 106 2HB LYS 106 19.108 8.973 28.451 653 HB3 LYS 106 3HB LYS 106 19.347 7.283 28.875 654 HG2 LYS 106 2HG LYS 106 20.319 7.983 26.210 655 HG3 LYS 106 3HG LYS 106 21.129 8.838 27.524 656 HD2 LYS 106 2HD LYS 106 22.208 6.995 28.190 657 HD3 LYS 106 3HD LYS 106 20.749 6.006 28.086 658 HE2 LYS 106 2HE LYS 106 21.253 5.259 26.022 659 HE3 LYS 106 3HE LYS 106 21.890 6.818 25.502 660 HZ1 LYS 106 1HZ LYS 106 23.426 5.231 27.435 661 HZ2 LYS 106 2HZ LYS 106 23.973 6.327 26.268 662 HZ3 LYS 106 3HZ LYS 106 23.462 4.782 25.804 663 H ALA 107 H ALA 107 15.842 6.596 28.029 664 HA ALA 107 HA ALA 107 16.887 3.896 28.364 665 HB1 ALA 107 1HB ALA 107 14.074 4.166 28.937 666 HB2 ALA 107 2HB ALA 107 15.402 3.719 30.008 667 HB3 ALA 107 3HB ALA 107 15.011 5.420 29.750 668 HA PRO 108 HA PRO 108 14.845 1.935 24.994 669 HB2 PRO 108 2HB PRO 108 13.142 0.099 26.043 670 HB3 PRO 108 3HB PRO 108 14.900 -0.083 26.092 671 HG2 PRO 108 2HG PRO 108 13.034 0.879 28.226 672 HG3 PRO 108 3HG PRO 108 14.413 -0.228 28.361 673 HD2 PRO 108 2HD PRO 108 14.567 2.384 29.059 674 HD3 PRO 108 3HD PRO 108 15.949 1.490 28.394 675 H CYS 109 H CYS 109 12.899 1.671 23.740 676 HA CYS 109 HA CYS 109 11.029 3.798 24.161 677 HB2 CYS 109 2HB CYS 109 11.083 1.590 22.094 678 HB3 CYS 109 3HB CYS 109 9.988 2.968 22.065 679 H TRP 110 H TRP 110 8.890 3.699 24.723 680 HA TRP 110 HA TRP 110 7.997 1.141 25.869 681 HB2 TRP 110 2HB TRP 110 7.274 2.286 27.655 682 HB3 TRP 110 3HB TRP 110 8.113 3.689 26.997 683 HD1 TRP 110 HD1 TRP 110 6.478 5.169 25.171 684 HE1 TRP 110 HE1 TRP 110 4.017 5.841 25.512 685 HE3 TRP 110 HE3 TRP 110 5.180 1.725 28.719 686 HZ2 TRP 110 HZ2 TRP 110 1.816 5.020 27.078 687 HZ3 TRP 110 HZ3 TRP 110 2.878 1.736 29.587 688 HH2 TRP 110 HH2 TRP 110 1.232 3.350 28.782 689 H ARG 111 H ARG 111 5.605 0.784 25.823 690 HA ARG 111 HA ARG 111 4.590 1.461 23.155 691 HB2 ARG 111 2HB ARG 111 3.909 -0.761 25.080 692 HB3 ARG 111 3HB ARG 111 2.971 -0.434 23.629 693 HG2 ARG 111 2HG ARG 111 4.898 -0.878 22.239 694 HG3 ARG 111 3HG ARG 111 5.905 -1.107 23.670 695 HD2 ARG 111 2HD ARG 111 4.299 -2.958 24.325 696 HD3 ARG 111 3HD ARG 111 3.635 -2.823 22.698 697 HE ARG 111 HE ARG 111 6.492 -3.187 22.786 698 HH11 ARG 111 1HH1 ARG 111 3.386 -4.758 22.702 699 HH12 ARG 111 2HH1 ARG 111 4.005 -6.234 22.038 700 HH21 ARG 111 1HH2 ARG 111 7.319 -5.125 21.912 701 HH22 ARG 111 2HH2 ARG 111 6.242 -6.442 21.590 702 H CYS 112 H CYS 112 2.880 2.749 22.895 703 HA CYS 112 HA CYS 112 1.802 4.251 24.988 704 HB2 CYS 112 2HB CYS 112 0.845 5.422 23.326 705 HB3 CYS 112 3HB CYS 112 1.680 4.327 22.231 706 HG CYS 112 HG CYS 112 -0.431 2.722 21.686 707 H GLU 113 H GLU 113 -0.007 4.087 26.228 708 HA GLU 113 HA GLU 113 -1.812 1.824 25.784 709 HB2 GLU 113 2HB GLU 113 0.169 1.876 27.801 710 HB3 GLU 113 3HB GLU 113 -1.373 2.135 28.604 711 HG2 GLU 113 2HG GLU 113 -0.558 -0.190 26.888 712 HG3 GLU 113 3HG GLU 113 -0.958 -0.194 28.605 713 H TYR 114 H TYR 114 -3.860 2.451 25.893 714 HA TYR 114 HA TYR 114 -4.905 4.173 27.871 715 HB2 TYR 114 2HB TYR 114 -5.255 6.189 26.753 716 HB3 TYR 114 3HB TYR 114 -3.624 5.752 26.255 717 HD1 TYR 114 HD1 TYR 114 -3.949 3.874 24.124 718 HD2 TYR 114 HD2 TYR 114 -6.317 7.292 25.028 719 HE1 TYR 114 HE1 TYR 114 -4.626 4.022 21.764 720 HE2 TYR 114 HE2 TYR 114 -7.002 7.448 22.671 721 HH TYR 114 HH TYR 114 -6.549 4.973 20.456 722 H ASN 115 H ASN 115 -7.180 4.367 27.762 723 HA ASN 115 HA ASN 115 -8.539 3.028 25.552 724 HB2 ASN 115 2HB ASN 115 -8.244 1.184 27.026 725 HB3 ASN 115 3HB ASN 115 -8.669 2.150 28.435 726 HD21 ASN 115 1HD2 ASN 115 -10.826 2.637 28.835 727 HD22 ASN 115 2HD2 ASN 115 -12.116 1.776 28.072 728 H ALA 116 H ALA 116 -10.027 4.422 24.895 729 HA ALA 116 HA ALA 116 -11.920 5.537 26.769 730 HB1 ALA 116 1HB ALA 116 -9.768 7.167 25.582 731 HB2 ALA 116 2HB ALA 116 -11.388 7.863 25.533 732 HB3 ALA 116 3HB ALA 116 -10.676 7.395 27.077 733 H ASP 117 H ASP 117 -13.522 6.995 25.524 734 HA ASP 117 HA ASP 117 -14.353 5.503 23.184 735 HB2 ASP 117 2HB ASP 117 -16.395 6.940 23.328 736 HB3 ASP 117 3HB ASP 117 -16.062 6.028 24.798 737 H LEU 118 H LEU 118 -13.385 6.021 21.325 738 HA LEU 118 HA LEU 118 -13.844 8.460 20.038 739 HB2 LEU 118 2HB LEU 118 -11.458 9.256 19.931 740 HB3 LEU 118 3HB LEU 118 -12.294 9.513 21.461 741 HG LEU 118 HG LEU 118 -10.848 7.017 21.491 742 HD11 LEU 118 1HD1 LEU 118 -9.490 9.341 20.321 743 HD12 LEU 118 2HD1 LEU 118 -9.086 7.626 20.242 744 HD13 LEU 118 3HD1 LEU 118 -8.638 8.573 21.661 745 HD21 LEU 118 1HD2 LEU 118 -11.548 8.020 23.515 746 HD22 LEU 118 2HD2 LEU 118 -10.810 9.565 23.091 747 HD23 LEU 118 3HD2 LEU 118 -9.792 8.176 23.471 748 H LYS 119 H LYS 119 -12.238 8.684 18.071 749 HA LYS 119 HA LYS 119 -12.587 6.578 16.375 750 HB2 LYS 119 2HB LYS 119 -10.972 7.570 14.923 751 HB3 LYS 119 3HB LYS 119 -11.777 8.881 15.775 752 HG2 LYS 119 2HG LYS 119 -9.807 9.648 16.415 753 HG3 LYS 119 3HG LYS 119 -9.533 8.157 17.320 754 HD2 LYS 119 2HD LYS 119 -8.329 7.181 15.593 755 HD3 LYS 119 3HD LYS 119 -9.028 8.245 14.371 756 HE2 LYS 119 2HE LYS 119 -7.541 9.673 16.434 757 HE3 LYS 119 3HE LYS 119 -6.550 8.526 15.534 758 HZ1 LYS 119 1HZ LYS 119 -8.303 10.507 14.202 759 HZ2 LYS 119 2HZ LYS 119 -7.058 9.591 13.515 760 HZ3 LYS 119 3HZ LYS 119 -6.691 10.838 14.597 761 H HIS 120 H HIS 120 -11.194 4.943 15.520 762 HA HIS 120 HA HIS 120 -9.746 3.545 17.559 763 HB2 HIS 120 2HB HIS 120 -10.184 2.968 14.625 764 HB3 HIS 120 3HB HIS 120 -9.314 1.888 15.711 765 HD1 HIS 120 HD1 HIS 120 -12.689 3.654 15.937 766 HD2 HIS 120 HD2 HIS 120 -10.975 -0.095 16.454 767 HE1 HIS 120 HE1 HIS 120 -14.570 2.149 16.658 768 H ASP 121 H ASP 121 -7.734 4.022 18.114 769 HA ASP 121 HA ASP 121 -5.742 4.464 16.029 770 HB2 ASP 121 2HB ASP 121 -6.615 6.710 16.789 771 HB3 ASP 121 3HB ASP 121 -5.956 6.347 18.381 772 H VAL 122 H VAL 122 -4.308 2.915 16.414 773 HA VAL 122 HA VAL 122 -3.515 2.403 19.208 774 HB VAL 122 HB VAL 122 -2.786 0.111 18.230 775 HG11 VAL 122 1HG1 VAL 122 -4.646 -0.802 19.169 776 HG12 VAL 122 2HG1 VAL 122 -4.846 0.856 19.739 777 HG13 VAL 122 3HG1 VAL 122 -5.744 0.292 18.329 778 HG21 VAL 122 1HG2 VAL 122 -3.964 -0.684 16.332 779 HG22 VAL 122 2HG2 VAL 122 -4.979 0.757 16.270 780 HG23 VAL 122 3HG2 VAL 122 -3.266 0.868 15.870 781 H CYS 123 H CYS 123 -1.376 2.374 19.699 782 HA CYS 123 HA CYS 123 0.499 2.903 17.488 783 HB2 CYS 123 2HB CYS 123 0.962 3.814 20.318 784 HB3 CYS 123 3HB CYS 123 1.705 4.406 18.837 785 HG CYS 123 HG CYS 123 -1.622 4.838 19.025 786 H GLY 124 H GLY 124 2.865 2.715 18.931 787 HA2 GLY 124 2HA GLY 124 4.366 1.215 19.830 788 HA3 GLY 124 3HA GLY 124 3.001 0.294 20.443 789 H CYS 125 H CYS 125 2.461 -1.568 19.464 790 HA CYS 125 HA CYS 125 4.160 -2.487 17.306 791 HB2 CYS 125 2HB CYS 125 2.855 -3.712 19.472 792 HB3 CYS 125 3HB CYS 125 2.065 -4.340 18.031 793 HG CYS 125 HG CYS 125 3.817 -6.257 18.087 794 H GLU 126 H GLU 126 1.390 -0.742 17.422 795 HA GLU 126 HA GLU 126 0.220 -1.993 15.036 796 HB2 GLU 126 2HB GLU 126 -0.863 -0.128 17.125 797 HB3 GLU 126 3HB GLU 126 -1.646 -0.259 15.556 798 HG2 GLU 126 2HG GLU 126 -1.071 -2.725 17.131 799 HG3 GLU 126 3HG GLU 126 -2.454 -1.714 17.550 800 H CYS 127 H CYS 127 2.632 -0.609 14.721 801 HA CYS 127 HA CYS 127 2.376 2.082 13.992 802 HB2 CYS 127 2HB CYS 127 4.308 -0.101 13.342 803 HB3 CYS 127 3HB CYS 127 4.372 1.381 12.396 804 HG CYS 127 HG CYS 127 6.317 1.330 14.494 805 H SER 128 H SER 128 2.259 3.064 11.909 806 HA SER 128 HA SER 128 0.532 1.568 10.077 807 HB2 SER 128 2HB SER 128 -0.100 3.869 11.023 808 HB3 SER 128 3HB SER 128 1.123 4.522 9.934 809 HG SER 128 HG SER 128 -0.655 2.760 8.776 810 H LYS 129 H LYS 129 0.866 2.781 7.716 811 HA LYS 129 HA LYS 129 2.835 1.517 6.401 812 HB2 LYS 129 2HB LYS 129 2.116 4.380 5.765 813 HB3 LYS 129 3HB LYS 129 2.681 3.149 4.643 814 HG2 LYS 129 2HG LYS 129 0.500 1.908 5.519 815 HG3 LYS 129 3HG LYS 129 -0.008 3.574 5.804 816 HD2 LYS 129 2HD LYS 129 1.204 2.837 3.176 817 HD3 LYS 129 3HD LYS 129 -0.479 2.418 3.502 818 HE2 LYS 129 2HE LYS 129 -0.851 4.825 4.116 819 HE3 LYS 129 3HE LYS 129 0.773 5.159 3.518 820 HZ1 LYS 129 1HZ LYS 129 -0.759 5.623 1.783 821 HZ2 LYS 129 2HZ LYS 129 -1.532 4.130 1.961 822 HZ3 LYS 129 3HZ LYS 129 0.048 4.198 1.359 823 H LEU 130 H LEU 130 3.381 4.989 6.770 824 HA LEU 130 HA LEU 130 5.948 4.542 8.054 825 HB2 LEU 130 2HB LEU 130 6.885 6.167 6.188 826 HB3 LEU 130 3HB LEU 130 6.913 4.414 6.009 827 HG LEU 130 HG LEU 130 4.927 4.515 4.597 828 HD11 LEU 130 1HD1 LEU 130 3.721 6.359 5.422 829 HD12 LEU 130 2HD1 LEU 130 4.219 6.813 3.792 830 HD13 LEU 130 3HD1 LEU 130 5.082 7.457 5.189 831 HD21 LEU 130 1HD2 LEU 130 7.458 5.834 3.962 832 HD22 LEU 130 2HD2 LEU 130 6.126 6.292 2.900 833 HD23 LEU 130 3HD2 LEU 130 6.569 4.593 3.077 834 HA PRO 131 HA PRO 131 3.594 8.506 9.055 835 HB2 PRO 131 2HB PRO 131 3.079 7.911 11.654 836 HB3 PRO 131 3HB PRO 131 1.987 7.476 10.334 837 HG2 PRO 131 2HG PRO 131 4.011 5.787 11.753 838 HG3 PRO 131 3HG PRO 131 2.357 5.377 11.263 839 HD2 PRO 131 2HD PRO 131 4.530 4.596 9.850 840 HD3 PRO 131 3HD PRO 131 2.971 4.959 9.082 841 H CYS 132 H CYS 132 4.784 7.405 12.117 842 HA CYS 132 HA CYS 132 7.215 9.031 11.820 843 HB2 CYS 132 2HB CYS 132 6.489 9.434 14.450 844 HB3 CYS 132 3HB CYS 132 6.271 10.587 13.138 845 H ASN 133 H ASN 133 7.924 6.698 11.510 846 HA ASN 133 HA ASN 133 8.685 5.609 14.133 847 HB2 ASN 133 2HB ASN 133 8.521 3.316 13.116 848 HB3 ASN 133 3HB ASN 133 6.975 4.132 13.325 849 HD21 ASN 133 1HD2 ASN 133 6.243 5.395 11.375 850 HD22 ASN 133 2HD2 ASN 133 6.465 4.640 9.836 851 H ASP 134 H ASP 134 10.812 5.539 14.365 852 HA ASP 134 HA ASP 134 12.517 5.740 12.003 853 HB2 ASP 134 2HB ASP 134 14.331 6.105 13.743 854 HB3 ASP 134 3HB ASP 134 13.071 7.334 13.676 855 H GLU 135 H GLU 135 13.733 4.301 14.911 856 HA GLU 135 HA GLU 135 13.356 1.593 14.382 857 HB2 GLU 135 2HB GLU 135 15.831 1.198 13.603 858 HB3 GLU 135 3HB GLU 135 14.575 1.559 12.427 859 HG2 GLU 135 2HG GLU 135 16.677 2.797 12.049 860 HG3 GLU 135 3HG GLU 135 15.274 3.840 12.279 861 H HIS 136 H HIS 136 13.177 2.503 16.712 862 HA HIS 136 HA HIS 136 15.766 2.117 18.067 863 HB2 HIS 136 2HB HIS 136 13.426 3.884 18.733 864 HB3 HIS 136 3HB HIS 136 14.561 3.380 19.982 865 HD1 HIS 136 HD1 HIS 136 15.016 4.773 16.460 866 HD2 HIS 136 HD2 HIS 136 16.346 5.361 20.352 867 HE1 HIS 136 HE1 HIS 136 16.676 6.658 16.326 868 HA PRO 137 HA PRO 137 14.181 -1.367 20.208 869 HB2 PRO 137 2HB PRO 137 15.300 -1.085 22.665 870 HB3 PRO 137 3HB PRO 137 16.229 -1.542 21.233 871 HG2 PRO 137 2HG PRO 137 15.953 1.138 22.536 872 HG3 PRO 137 3HG PRO 137 17.406 0.351 21.893 873 HD2 PRO 137 2HD PRO 137 16.059 2.262 20.527 874 HD3 PRO 137 3HD PRO 137 16.910 0.931 19.718 875 H CYS 138 H CYS 138 12.288 -1.850 21.134 876 HA CYS 138 HA CYS 138 11.194 -0.043 23.172 877 HB2 CYS 138 2HB CYS 138 9.231 -1.226 21.302 878 HB3 CYS 138 3HB CYS 138 9.245 0.357 22.068 879 HG CYS 138 HG CYS 138 11.400 -0.339 19.524 880 H TYR 139 H TYR 139 10.927 -1.197 24.956 881 HA TYR 139 HA TYR 139 9.260 -3.413 25.178 882 HB2 TYR 139 2HB TYR 139 11.490 -4.276 23.956 883 HB3 TYR 139 3HB TYR 139 12.011 -4.435 25.630 884 HD1 TYR 139 HD1 TYR 139 11.851 -6.603 26.380 885 HD2 TYR 139 HD2 TYR 139 8.816 -5.110 23.799 886 HE1 TYR 139 HE1 TYR 139 10.658 -8.748 26.551 887 HE2 TYR 139 HE2 TYR 139 7.615 -7.250 23.964 888 HH TYR 139 HH TYR 139 8.582 -9.733 26.211 889 H ARG 140 H ARG 140 10.527 -4.803 27.283 890 HA ARG 140 HA ARG 140 10.303 -2.789 29.373 891 HB2 ARG 140 2HB ARG 140 9.193 -5.169 29.300 892 HB3 ARG 140 3HB ARG 140 10.752 -5.697 29.920 893 HG2 ARG 140 2HG ARG 140 8.811 -3.790 31.194 894 HG3 ARG 140 3HG ARG 140 9.328 -5.371 31.782 895 HD2 ARG 140 2HD ARG 140 11.667 -4.410 31.899 896 HD3 ARG 140 3HD ARG 140 10.932 -2.831 31.627 897 HE ARG 140 HE ARG 140 10.254 -2.827 33.806 898 HH11 ARG 140 1HH1 ARG 140 10.995 -6.097 32.871 899 HH12 ARG 140 2HH1 ARG 140 10.792 -6.738 34.467 900 HH21 ARG 140 1HH2 ARG 140 9.984 -3.658 35.912 901 HH22 ARG 140 2HH2 ARG 140 10.216 -5.350 36.197 902 H LYS 141 H LYS 141 12.304 -5.678 29.554 903 HA LYS 141 HA LYS 141 14.521 -4.044 30.510 904 HB2 LYS 141 2HB LYS 141 14.601 -7.034 30.337 905 HB3 LYS 141 3HB LYS 141 15.382 -5.969 31.497 906 HG2 LYS 141 2HG LYS 141 13.229 -5.503 32.537 907 HG3 LYS 141 3HG LYS 141 12.429 -6.548 31.360 908 HD2 LYS 141 2HD LYS 141 12.682 -7.912 33.239 909 HD3 LYS 141 3HD LYS 141 14.031 -8.375 32.199 910 HE2 LYS 141 2HE LYS 141 15.088 -8.147 34.229 911 HE3 LYS 141 3HE LYS 141 15.314 -6.538 33.543 912 HZ1 LYS 141 1HZ LYS 141 13.250 -7.340 35.521 913 HZ2 LYS 141 2HZ LYS 141 13.345 -5.813 34.801 914 HZ3 LYS 141 3HZ LYS 141 14.593 -6.351 35.808 915 H GLU 142 H GLU 142 13.647 -4.329 27.616 916 HA GLU 142 HA GLU 142 16.085 -4.061 26.372 917 HB2 GLU 142 2HB GLU 142 16.093 -6.323 25.111 918 HB3 GLU 142 3HB GLU 142 16.774 -6.254 26.730 919 HG2 GLU 142 2HG GLU 142 15.118 -7.514 27.636 920 HG3 GLU 142 3HG GLU 142 13.907 -6.955 26.483 921 H GLY 143 H GLY 143 15.221 -2.638 24.980 922 HA2 GLY 143 2HA GLY 143 12.686 -3.071 23.701 923 HA3 GLY 143 3HA GLY 143 13.791 -1.737 23.404 924 H GLY 144 H GLY 144 12.231 -3.647 21.625 925 HA2 GLY 144 2HA GLY 144 14.359 -5.024 20.194 926 HA3 GLY 144 3HA GLY 144 12.643 -5.083 19.822 927 H VAL 145 H VAL 145 15.345 -4.335 18.405 928 HA VAL 145 HA VAL 145 15.230 -1.694 17.544 929 HB VAL 145 HB VAL 145 16.364 -2.574 15.437 930 HG11 VAL 145 1HG1 VAL 145 17.860 -3.643 17.756 931 HG12 VAL 145 2HG1 VAL 145 18.365 -2.506 16.505 932 HG13 VAL 145 3HG1 VAL 145 17.352 -1.956 17.841 933 HG21 VAL 145 1HG2 VAL 145 16.547 -4.764 15.028 934 HG22 VAL 145 2HG2 VAL 145 16.939 -5.136 16.707 935 HG23 VAL 145 3HG2 VAL 145 15.255 -4.965 16.212 936 H VAL 146 H VAL 146 13.168 -0.982 17.089 937 HA VAL 146 HA VAL 146 12.076 -1.900 14.531 938 HB VAL 146 HB VAL 146 9.854 -2.097 15.299 939 HG11 VAL 146 1HG1 VAL 146 10.018 -4.045 16.446 940 HG12 VAL 146 2HG1 VAL 146 11.732 -3.835 16.085 941 HG13 VAL 146 3HG1 VAL 146 11.099 -3.366 17.663 942 HG21 VAL 146 1HG2 VAL 146 9.153 -0.635 16.829 943 HG22 VAL 146 2HG2 VAL 146 9.815 -1.726 18.046 944 HG23 VAL 146 3HG2 VAL 146 10.787 -0.384 17.443 945 H SER 147 H SER 147 10.809 -0.347 13.428 946 HA SER 147 HA SER 147 11.681 2.320 13.752 947 HB2 SER 147 2HB SER 147 10.040 2.842 11.964 948 HB3 SER 147 3HB SER 147 11.052 1.455 11.562 949 HG SER 147 HG SER 147 8.370 1.442 12.477 950 H CYS 148 H CYS 148 10.973 3.853 15.070 951 HA CYS 148 HA CYS 148 8.240 4.330 15.624 952 HB2 CYS 148 2HB CYS 148 9.697 2.563 17.456 953 HB3 CYS 148 3HB CYS 148 8.936 3.934 18.255 954 HG CYS 148 HG CYS 148 6.368 3.345 17.348 955 H ASP 149 H ASP 149 8.465 6.466 15.349 956 HA ASP 149 HA ASP 149 10.037 7.932 17.312 957 HB2 ASP 149 2HB ASP 149 11.166 7.480 14.863 958 HB3 ASP 149 3HB ASP 149 10.355 9.021 14.597 959 H CYS 150 H CYS 150 7.951 8.487 18.102 960 HA CYS 150 HA CYS 150 6.876 10.853 16.853 961 HB2 CYS 150 2HB CYS 150 5.719 8.534 16.032 962 HB3 CYS 150 3HB CYS 150 4.732 8.909 17.442 963 H LYS 151 H LYS 151 5.074 11.788 18.207 964 HA LYS 151 HA LYS 151 4.577 12.738 20.228 965 HB2 LYS 151 2HB LYS 151 4.064 9.843 20.401 966 HB3 LYS 151 3HB LYS 151 4.169 10.662 21.953 967 HG2 LYS 151 2HG LYS 151 1.868 10.485 21.006 968 HG3 LYS 151 3HG LYS 151 2.385 12.128 21.396 969 HD2 LYS 151 2HD LYS 151 3.055 11.362 18.671 970 HD3 LYS 151 3HD LYS 151 1.322 11.273 18.992 971 HE2 LYS 151 2HE LYS 151 1.521 13.595 19.975 972 HE3 LYS 151 3HE LYS 151 3.149 13.646 19.301 973 HZ1 LYS 151 1HZ LYS 151 1.118 12.841 17.420 974 HZ2 LYS 151 2HZ LYS 151 2.368 13.967 17.247 975 HZ3 LYS 151 3HZ LYS 151 0.922 14.417 18.002 976 H THR 152 H THR 152 5.802 10.035 22.006 977 HA THR 152 HA THR 152 7.520 11.673 23.565 978 HB THR 152 HB THR 152 8.337 9.424 24.474 979 HG1 THR 152 HG1 THR 152 6.088 8.369 23.119 980 HG21 THR 152 1HG2 THR 152 5.554 10.484 24.601 981 HG22 THR 152 2HG2 THR 152 6.787 10.403 25.858 982 HG23 THR 152 3HG2 THR 152 5.909 8.948 25.390 983 H ILE 153 H ILE 153 8.000 11.154 20.541 984 HA ILE 153 HA ILE 153 10.324 9.785 20.055 985 HB ILE 153 HB ILE 153 9.106 10.785 18.239 986 HG12 ILE 153 2HG1 ILE 153 11.788 10.648 18.348 987 HG13 ILE 153 3HG1 ILE 153 10.919 11.194 16.918 988 HG21 ILE 153 1HG2 ILE 153 8.220 12.762 19.148 989 HG22 ILE 153 2HG2 ILE 153 9.816 13.383 19.567 990 HG23 ILE 153 3HG2 ILE 153 9.320 13.295 17.877 991 HD11 ILE 153 1HD1 ILE 153 11.301 13.485 17.492 992 HD12 ILE 153 2HD1 ILE 153 12.008 13.023 19.041 993 HD13 ILE 153 3HD1 ILE 153 12.838 12.622 17.538 994 H THR 154 H THR 154 12.535 10.383 19.913 995 HA THR 154 HA THR 154 13.300 12.441 21.875 996 HB THR 154 HB THR 154 15.485 11.211 21.993 997 HG1 THR 154 HG1 THR 154 14.495 9.944 19.901 998 HG21 THR 154 1HG2 THR 154 14.388 9.132 23.134 999 HG22 THR 154 2HG2 THR 154 12.881 9.988 22.809 1000 HG23 THR 154 3HG2 THR 154 14.126 10.741 23.805 1001 H CYS 155 H CYS 155 14.691 14.049 21.335 1002 HA CYS 155 HA CYS 155 16.281 13.978 18.949 1003 HB2 CYS 155 2HB CYS 155 15.213 15.925 17.863 1004 HB3 CYS 155 3HB CYS 155 14.139 14.531 17.934 1005 H ASN 156 H ASN 156 17.943 14.398 20.431 1006 HA ASN 156 HA ASN 156 18.090 17.205 21.272 1007 HB2 ASN 156 2HB ASN 156 17.891 14.953 23.028 1008 HB3 ASN 156 3HB ASN 156 19.493 15.663 23.201 1009 HD21 ASN 156 1HD2 ASN 156 18.794 18.330 22.623 1010 HD22 ASN 156 2HD2 ASN 156 17.848 18.929 23.939 1011 H GLU 157 H GLU 157 20.378 17.812 21.880 1012 HA GLU 157 HA GLU 157 22.106 17.551 19.794 1013 HB2 GLU 157 2HB GLU 157 22.713 17.970 22.718 1014 HB3 GLU 157 3HB GLU 157 23.942 18.086 21.466 1015 HG2 GLU 157 2HG GLU 157 21.433 19.714 21.342 1016 HG3 GLU 157 3HG GLU 157 22.830 20.239 22.279 1017 H ASP 158 H ASP 158 23.840 16.385 22.467 1018 HA ASP 158 HA ASP 158 24.491 13.948 21.030 1019 HB2 ASP 158 2HB ASP 158 25.921 15.681 22.693 1020 HB3 ASP 158 3HB ASP 158 25.743 14.202 23.634 1021 H HIS 159 H HIS 159 21.840 14.205 22.197 1022 HA HIS 159 HA HIS 159 21.635 11.644 23.386 1023 HB2 HIS 159 2HB HIS 159 20.527 12.787 25.541 1024 HB3 HIS 159 3HB HIS 159 22.225 12.320 25.484 1025 HD1 HIS 159 HD1 HIS 159 20.033 15.378 25.084 1026 HD2 HIS 159 HD2 HIS 159 23.998 14.377 25.817 1027 HE1 HIS 159 HE1 HIS 159 21.180 17.544 25.648 1028 HA PRO 160 HA PRO 160 17.470 12.038 22.071 1029 HB2 PRO 160 2HB PRO 160 16.113 10.574 23.911 1030 HB3 PRO 160 3HB PRO 160 17.158 9.846 22.685 1031 HG2 PRO 160 2HG PRO 160 17.739 10.433 25.563 1032 HG3 PRO 160 3HG PRO 160 18.137 8.990 24.612 1033 HD2 PRO 160 2HD PRO 160 19.949 10.932 25.141 1034 HD3 PRO 160 3HD PRO 160 19.976 9.983 23.641 1035 H CYS 161 H CYS 161 15.715 13.347 22.293 1036 HA CYS 161 HA CYS 161 15.517 14.876 24.803 1037 HB2 CYS 161 2HB CYS 161 15.171 16.777 23.616 1038 HB3 CYS 161 3HB CYS 161 15.978 15.882 22.333 1039 H TYR 162 H TYR 162 13.819 14.417 26.020 1040 HA TYR 162 HA TYR 162 11.715 12.733 25.217 1041 HB2 TYR 162 2HB TYR 162 10.661 13.368 27.365 1042 HB3 TYR 162 3HB TYR 162 12.356 12.930 27.553 1043 HD1 TYR 162 HD1 TYR 162 9.876 15.514 27.982 1044 HD2 TYR 162 HD2 TYR 162 14.060 14.749 27.852 1045 HE1 TYR 162 HE1 TYR 162 10.297 17.659 29.111 1046 HE2 TYR 162 HE2 TYR 162 14.492 16.891 28.982 1047 HH TYR 162 HH TYR 162 13.492 18.554 30.221 1048 H HIS 163 H HIS 163 10.422 13.333 23.579 1049 HA HIS 163 HA HIS 163 9.310 16.047 23.565 1050 HB2 HIS 163 2HB HIS 163 10.307 14.429 21.521 1051 HB3 HIS 163 3HB HIS 163 8.560 14.391 21.301 1052 HD1 HIS 163 HD1 HIS 163 11.221 17.059 21.880 1053 HD2 HIS 163 HD2 HIS 163 7.688 16.442 19.782 1054 HE1 HIS 163 HE1 HIS 163 10.865 19.152 20.533 1055 H SER 164 H SER 164 8.479 13.696 25.286 1056 HA SER 164 HA SER 164 6.254 12.372 24.807 1057 HB2 SER 164 2HB SER 164 5.395 12.960 27.074 1058 HB3 SER 164 3HB SER 164 7.112 12.555 27.068 1059 HG SER 164 HG SER 164 5.945 15.138 27.172 1060 H TYR 165 H TYR 165 4.245 12.658 24.070 1061 HA TYR 165 HA TYR 165 3.017 15.307 24.187 1062 HB2 TYR 165 2HB TYR 165 4.232 14.366 21.854 1063 HB3 TYR 165 3HB TYR 165 2.513 14.084 21.606 1064 HD1 TYR 165 HD1 TYR 165 1.378 16.400 23.092 1065 HD2 TYR 165 HD2 TYR 165 4.685 16.165 20.426 1066 HE1 TYR 165 HE1 TYR 165 1.070 18.770 22.511 1067 HE2 TYR 165 HE2 TYR 165 4.388 18.535 19.838 1068 HH TYR 165 HH TYR 165 2.421 20.636 21.613 1069 H GLU 166 H GLU 166 0.855 14.636 22.458 1070 HA GLU 166 HA GLU 166 -0.784 13.197 24.300 1071 HB2 GLU 166 2HB GLU 166 -2.564 13.926 23.059 1072 HB3 GLU 166 3HB GLU 166 -1.361 15.107 22.559 1073 HG2 GLU 166 2HG GLU 166 -0.873 13.642 20.590 1074 HG3 GLU 166 3HG GLU 166 -2.264 12.665 21.058 1075 H GLU 167 H GLU 167 -1.319 11.105 24.337 1076 HA GLU 167 HA GLU 167 0.055 9.114 23.098 1077 HB2 GLU 167 2HB GLU 167 -1.455 8.672 24.942 1078 HB3 GLU 167 3HB GLU 167 -2.845 9.076 23.944 1079 HG2 GLU 167 2HG GLU 167 -3.017 6.941 23.407 1080 HG3 GLU 167 3HG GLU 167 -1.477 7.069 22.559 1081 H ASP 168 H ASP 168 0.429 9.709 20.920 1082 HA ASP 168 HA ASP 168 -1.480 8.590 19.091 1083 HB2 ASP 168 2HB ASP 168 -1.705 11.335 19.603 1084 HB3 ASP 168 3HB ASP 168 -0.853 11.225 18.065 1085 H GLY 169 H GLY 169 -0.566 9.446 16.701 1086 HA2 GLY 169 2HA GLY 169 1.724 9.969 15.751 1087 HA3 GLY 169 3HA GLY 169 2.281 8.672 16.797 1088 H VAL 170 H VAL 170 2.598 6.813 15.791 1089 HA VAL 170 HA VAL 170 1.935 6.302 13.138 1090 HB VAL 170 HB VAL 170 2.467 3.934 13.612 1091 HG11 VAL 170 1HG1 VAL 170 4.635 4.445 13.515 1092 HG12 VAL 170 2HG1 VAL 170 4.146 6.127 13.725 1093 HG13 VAL 170 3HG1 VAL 170 4.617 5.163 15.125 1094 HG21 VAL 170 1HG2 VAL 170 1.782 4.731 16.285 1095 HG22 VAL 170 2HG2 VAL 170 2.050 3.113 15.636 1096 HG23 VAL 170 3HG2 VAL 170 3.410 4.053 16.250 1097 H THR 171 H THR 171 -0.118 6.376 12.440 1098 HA THR 171 HA THR 171 -2.018 4.482 13.632 1099 HB THR 171 HB THR 171 -2.843 7.255 12.768 1100 HG1 THR 171 HG1 THR 171 -1.885 7.761 14.616 1101 HG21 THR 171 1HG2 THR 171 -4.865 6.624 14.170 1102 HG22 THR 171 2HG2 THR 171 -4.241 4.975 14.153 1103 HG23 THR 171 3HG2 THR 171 -4.680 5.767 12.640 1104 H LYS 172 H LYS 172 -3.522 3.596 12.206 1105 HA LYS 172 HA LYS 172 -2.675 3.306 9.531 1106 HB2 LYS 172 2HB LYS 172 -4.921 2.162 9.245 1107 HB3 LYS 172 3HB LYS 172 -3.869 1.500 10.489 1108 HG2 LYS 172 2HG LYS 172 -5.166 2.376 12.220 1109 HG3 LYS 172 3HG LYS 172 -5.988 3.513 11.149 1110 HD2 LYS 172 2HD LYS 172 -6.818 1.344 9.955 1111 HD3 LYS 172 3HD LYS 172 -6.416 0.574 11.492 1112 HE2 LYS 172 2HE LYS 172 -7.875 2.162 12.658 1113 HE3 LYS 172 3HE LYS 172 -8.280 2.917 11.117 1114 HZ1 LYS 172 1HZ LYS 172 -9.021 0.235 12.104 1115 HZ2 LYS 172 2HZ LYS 172 -9.043 0.589 10.450 1116 HZ3 LYS 172 3HZ LYS 172 -10.026 1.462 11.514 1117 H SER 173 H SER 173 -3.573 4.040 7.599 1118 HA SER 173 HA SER 173 -4.352 5.675 6.212 1119 HB2 SER 173 2HB SER 173 -6.485 4.465 7.397 1120 HB3 SER 173 3HB SER 173 -6.788 6.153 7.808 1121 HG SER 173 HG SER 173 -7.711 5.881 5.847 1122 H ASP 174 H ASP 174 -2.653 6.602 8.287 1123 HA ASP 174 HA ASP 174 -3.442 8.745 9.785 1124 HB2 ASP 174 2HB ASP 174 -1.134 7.800 9.697 1125 HB3 ASP 174 3HB ASP 174 -0.888 8.641 8.169 1126 H CYS 175 H CYS 175 -2.778 8.689 6.320 1127 HA CYS 175 HA CYS 175 -4.536 10.759 5.697 1128 HB2 CYS 175 2HB CYS 175 -2.213 11.772 6.852 1129 HB3 CYS 175 3HB CYS 175 -1.965 11.991 5.124 1130 HG CYS 175 HG CYS 175 -3.255 14.148 6.861 1131 H ASP 176 H ASP 176 -3.471 11.890 3.466 1132 HA ASP 176 HA ASP 176 -2.527 9.629 1.838 1133 HB2 ASP 176 2HB ASP 176 -4.494 11.595 0.715 1134 HB3 ASP 176 3HB ASP 176 -4.139 9.953 0.188 1135 H CYS 177 H CYS 177 -1.164 11.966 3.013 1136 HA CYS 177 HA CYS 177 -0.236 13.222 0.515 1137 HB2 CYS 177 2HB CYS 177 -0.966 14.396 3.117 1138 HB3 CYS 177 3HB CYS 177 0.550 14.984 2.444 1139 HG CYS 177 HG CYS 177 -2.366 16.092 1.813 1140 H GLU 178 H GLU 178 2.052 14.260 0.972 1141 HA GLU 178 HA GLU 178 3.821 12.096 1.406 1142 HB2 GLU 178 2HB GLU 178 3.992 14.835 0.504 1143 HB3 GLU 178 3HB GLU 178 5.312 14.466 1.604 1144 HG2 GLU 178 2HG GLU 178 4.802 12.425 -0.438 1145 HG3 GLU 178 3HG GLU 178 5.340 13.985 -1.056 1146 H HIS 179 H HIS 179 3.457 11.305 3.490 1147 HA HIS 179 HA HIS 179 4.563 12.992 5.634 1148 HB2 HIS 179 2HB HIS 179 2.960 12.136 7.201 1149 HB3 HIS 179 3HB HIS 179 2.072 12.731 5.802 1150 HD1 HIS 179 HD1 HIS 179 1.788 10.551 3.935 1151 HD2 HIS 179 HD2 HIS 179 1.896 9.806 8.021 1152 HE1 HIS 179 HE1 HIS 179 0.703 8.303 4.237 1153 H SER 180 H SER 180 6.095 11.249 4.100 1154 HA SER 180 HA SER 180 6.557 8.988 5.931 1155 HB2 SER 180 2HB SER 180 7.613 7.826 4.073 1156 HB3 SER 180 3HB SER 180 6.004 8.363 3.587 1157 HG SER 180 HG SER 180 6.862 9.712 2.194 1158 HA PRO 181 HA PRO 181 10.108 11.891 6.548 1159 HB2 PRO 181 2HB PRO 181 10.219 11.534 9.237 1160 HB3 PRO 181 3HB PRO 181 9.157 12.719 8.469 1161 HG2 PRO 181 2HG PRO 181 8.514 9.979 9.488 1162 HG3 PRO 181 3HG PRO 181 7.589 11.482 9.661 1163 HD2 PRO 181 2HD PRO 181 6.965 9.591 7.826 1164 HD3 PRO 181 3HD PRO 181 6.693 11.322 7.543 1165 H GLY 182 H GLY 182 12.102 11.355 8.091 1166 HA2 GLY 182 2HA GLY 182 12.822 8.554 7.501 1167 HA3 GLY 182 3HA GLY 182 13.965 9.889 7.542 1168 HA PRO 183 HA PRO 183 13.585 7.596 11.706 1169 HB2 PRO 183 2HB PRO 183 15.870 6.135 11.576 1170 HB3 PRO 183 3HB PRO 183 14.309 5.529 11.010 1171 HG2 PRO 183 2HG PRO 183 16.567 6.705 9.436 1172 HG3 PRO 183 3HG PRO 183 15.565 5.289 9.068 1173 HD2 PRO 183 2HD PRO 183 15.151 7.706 7.920 1174 HD3 PRO 183 3HD PRO 183 13.828 6.572 8.261 1175 H SER 184 H SER 184 15.756 7.326 13.216 1176 HA SER 184 HA SER 184 16.957 10.007 13.168 1177 HB2 SER 184 2HB SER 184 15.843 8.377 15.258 1178 HB3 SER 184 3HB SER 184 17.533 8.723 15.623 1179 HG SER 184 HG SER 184 16.960 10.677 16.097 1180 H GLU 185 H GLU 185 17.743 6.582 13.578 1181 HA GLU 185 HA GLU 185 20.375 7.031 12.481 1182 HB2 GLU 185 2HB GLU 185 21.592 6.060 14.368 1183 HB3 GLU 185 3HB GLU 185 20.760 7.533 14.845 1184 HG2 GLU 185 2HG GLU 185 19.539 6.476 16.372 1185 HG3 GLU 185 3HG GLU 185 19.147 5.157 15.270 Start of MODEL 5 1 H1 MET 1 H MET 1 0.173 -9.576 6.557 2 HA MET 1 HA MET 1 2.038 -11.221 5.468 3 HB2 MET 1 2HB MET 1 0.184 -11.871 7.036 4 HB3 MET 1 3HB MET 1 -0.888 -11.948 5.644 5 HG2 MET 1 2HG MET 1 1.633 -13.511 5.559 6 HG3 MET 1 3HG MET 1 0.326 -14.084 6.592 7 HE1 MET 1 1HE MET 1 -1.189 -15.418 6.114 8 HE2 MET 1 2HE MET 1 -2.126 -15.639 4.637 9 HE3 MET 1 3HE MET 1 -0.603 -16.503 4.853 10 H ALA 2 H ALA 2 -1.045 -10.335 3.922 11 HA ALA 2 HA ALA 2 -0.221 -11.589 1.436 12 HB1 ALA 2 1HB ALA 2 -2.411 -11.883 1.246 13 HB2 ALA 2 2HB ALA 2 -2.711 -10.843 2.639 14 HB3 ALA 2 3HB ALA 2 -2.593 -10.142 1.025 15 H HIS 3 H HIS 3 0.132 -10.514 -0.506 16 HA HIS 3 HA HIS 3 0.901 -7.700 -0.209 17 HB2 HIS 3 2HB HIS 3 2.639 -9.248 -1.009 18 HB3 HIS 3 3HB HIS 3 1.617 -9.691 -2.374 19 HD1 HIS 3 HD1 HIS 3 2.719 -6.309 -0.998 20 HD2 HIS 3 HD2 HIS 3 2.616 -8.459 -4.551 21 HE1 HIS 3 HE1 HIS 3 3.654 -4.763 -2.746 22 H GLU 4 H GLU 4 0.191 -6.110 -1.622 23 HA GLU 4 HA GLU 4 -2.055 -6.871 -3.371 24 HB2 GLU 4 2HB GLU 4 -3.022 -4.615 -2.838 25 HB3 GLU 4 3HB GLU 4 -3.001 -5.745 -1.492 26 HG2 GLU 4 2HG GLU 4 -1.205 -4.633 -0.452 27 HG3 GLU 4 3HG GLU 4 -0.853 -3.690 -1.898 28 H GLU 5 H GLU 5 -2.500 -5.251 -5.100 29 HA GLU 5 HA GLU 5 -0.030 -4.592 -6.435 30 HB2 GLU 5 2HB GLU 5 -1.533 -3.875 -8.291 31 HB3 GLU 5 3HB GLU 5 -1.789 -5.534 -7.771 32 HG2 GLU 5 2HG GLU 5 -3.478 -3.593 -6.392 33 HG3 GLU 5 3HG GLU 5 -3.741 -3.666 -8.133 34 H ASP 6 H ASP 6 0.053 -2.418 -7.625 35 HA ASP 6 HA ASP 6 0.281 -0.156 -7.539 36 HB2 ASP 6 2HB ASP 6 -2.354 -0.687 -6.465 37 HB3 ASP 6 3HB ASP 6 -1.644 0.738 -5.710 38 H GLY 7 H GLY 7 0.984 1.618 -6.145 39 HA2 GLY 7 2HA GLY 7 2.463 0.577 -3.870 40 HA3 GLY 7 3HA GLY 7 2.642 2.169 -4.593 41 H VAL 8 H VAL 8 0.386 0.223 -2.656 42 HA VAL 8 HA VAL 8 -0.045 2.507 -0.910 43 HB VAL 8 HB VAL 8 -2.491 2.341 -1.006 44 HG11 VAL 8 1HG1 VAL 8 -2.782 3.646 -2.921 45 HG12 VAL 8 2HG1 VAL 8 -1.084 3.881 -2.502 46 HG13 VAL 8 3HG1 VAL 8 -1.527 2.785 -3.812 47 HG21 VAL 8 1HG2 VAL 8 -1.850 0.083 -2.767 48 HG22 VAL 8 2HG2 VAL 8 -3.269 0.370 -1.760 49 HG23 VAL 8 3HG2 VAL 8 -3.148 1.126 -3.348 50 H CYS 9 H CYS 9 -1.885 1.714 0.771 51 HA CYS 9 HA CYS 9 -0.866 -0.842 1.793 52 HB2 CYS 9 2HB CYS 9 -1.733 -0.088 3.981 53 HB3 CYS 9 3HB CYS 9 -0.574 1.046 3.301 54 HG CYS 9 HG CYS 9 -3.697 1.812 2.460 55 H ASN 10 H ASN 10 -2.644 -1.868 3.351 56 HA ASN 10 HA ASN 10 -4.905 -2.451 1.599 57 HB2 ASN 10 2HB ASN 10 -4.502 -3.901 4.172 58 HB3 ASN 10 3HB ASN 10 -5.039 -4.512 2.610 59 HD21 ASN 10 1HD2 ASN 10 -2.224 -3.335 4.369 60 HD22 ASN 10 2HD2 ASN 10 -1.060 -4.249 3.477 61 H SER 11 H SER 11 -4.761 0.047 3.122 62 HA SER 11 HA SER 11 -6.011 0.456 5.390 63 HB2 SER 11 2HB SER 11 -5.711 2.354 4.009 64 HB3 SER 11 3HB SER 11 -6.728 1.687 2.732 65 HG SER 11 HG SER 11 -8.523 2.035 4.003 66 H ASN 12 H ASN 12 -7.849 -0.500 2.492 67 HA ASN 12 HA ASN 12 -10.375 -0.612 3.106 68 HB2 ASN 12 2HB ASN 12 -9.683 -1.823 1.181 69 HB3 ASN 12 3HB ASN 12 -8.750 -2.964 2.144 70 HD21 ASN 12 1HD2 ASN 12 -9.654 -4.858 2.441 71 HD22 ASN 12 2HD2 ASN 12 -11.347 -5.199 2.406 72 H ALA 13 H ALA 13 -8.271 -3.198 4.382 73 HA ALA 13 HA ALA 13 -9.880 -3.215 6.832 74 HB1 ALA 13 1HB ALA 13 -9.673 -5.385 4.867 75 HB2 ALA 13 2HB ALA 13 -9.410 -5.870 6.542 76 HB3 ALA 13 3HB ALA 13 -10.910 -5.065 6.083 77 HA PRO 14 HA PRO 14 -5.790 -5.398 7.993 78 HB2 PRO 14 2HB PRO 14 -4.179 -6.313 6.009 79 HB3 PRO 14 3HB PRO 14 -5.504 -7.267 6.688 80 HG2 PRO 14 2HG PRO 14 -5.428 -5.655 4.166 81 HG3 PRO 14 3HG PRO 14 -6.112 -7.267 4.444 82 HD2 PRO 14 2HD PRO 14 -7.639 -5.033 4.354 83 HD3 PRO 14 3HD PRO 14 -8.044 -6.425 5.378 84 H CYS 15 H CYS 15 -5.937 -2.779 7.828 85 HA CYS 15 HA CYS 15 -4.709 -0.967 6.544 86 HB2 CYS 15 2HB CYS 15 -3.959 -1.720 9.360 87 HB3 CYS 15 3HB CYS 15 -3.296 -0.285 8.588 88 HG CYS 15 HG CYS 15 -6.648 -0.576 8.485 89 H TYR 16 H TYR 16 -2.159 -2.135 8.590 90 HA TYR 16 HA TYR 16 -0.599 -3.367 6.552 91 HB2 TYR 16 2HB TYR 16 -0.579 -0.602 6.435 92 HB3 TYR 16 3HB TYR 16 0.874 -0.976 7.356 93 HD1 TYR 16 HD1 TYR 16 -0.898 -1.872 4.202 94 HD2 TYR 16 HD2 TYR 16 2.825 -1.587 6.242 95 HE1 TYR 16 HE1 TYR 16 0.283 -2.403 2.110 96 HE2 TYR 16 HE2 TYR 16 4.016 -2.116 4.156 97 HH TYR 16 HH TYR 16 2.374 -2.269 1.091 98 H HIS 17 H HIS 17 0.185 -4.932 7.807 99 HA HIS 17 HA HIS 17 0.860 -4.517 10.563 100 HB2 HIS 17 2HB HIS 17 0.186 -6.715 9.034 101 HB3 HIS 17 3HB HIS 17 1.904 -6.960 9.337 102 HD1 HIS 17 HD1 HIS 17 1.295 -5.363 12.252 103 HD2 HIS 17 HD2 HIS 17 -0.134 -8.984 10.802 104 HE1 HIS 17 HE1 HIS 17 0.599 -6.672 14.283 105 H CYS 18 H CYS 18 2.976 -4.977 11.485 106 HA CYS 18 HA CYS 18 5.348 -5.205 10.063 107 HB2 CYS 18 2HB CYS 18 4.311 -2.760 9.498 108 HB3 CYS 18 3HB CYS 18 5.286 -2.376 10.912 109 HG CYS 18 HG CYS 18 7.647 -3.472 9.761 110 H ASP 19 H ASP 19 6.989 -3.441 11.594 111 HA ASP 19 HA ASP 19 8.127 -3.420 13.565 112 HB2 ASP 19 2HB ASP 19 5.270 -3.509 14.488 113 HB3 ASP 19 3HB ASP 19 6.586 -3.552 15.658 114 H ALA 20 H ALA 20 5.973 -5.277 15.421 115 HA ALA 20 HA ALA 20 7.775 -7.248 16.107 116 HB1 ALA 20 1HB ALA 20 4.768 -7.474 16.047 117 HB2 ALA 20 2HB ALA 20 5.864 -8.520 16.951 118 HB3 ALA 20 3HB ALA 20 5.735 -6.810 17.365 119 H ASN 21 H ASN 21 5.279 -7.359 13.581 120 HA ASN 21 HA ASN 21 6.310 -9.934 12.663 121 HB2 ASN 21 2HB ASN 21 4.199 -8.974 10.999 122 HB3 ASN 21 3HB ASN 21 4.177 -10.332 12.121 123 HD21 ASN 21 1HD2 ASN 21 4.277 -6.794 12.424 124 HD22 ASN 21 2HD2 ASN 21 2.958 -6.685 13.535 125 H GLY 22 H GLY 22 6.299 -6.571 11.829 126 HA2 GLY 22 2HA GLY 22 6.870 -6.753 9.079 127 HA3 GLY 22 3HA GLY 22 7.287 -5.400 10.120 128 H GLU 23 H GLU 23 8.864 -7.284 11.866 129 HA GLU 23 HA GLU 23 11.254 -7.370 10.151 130 HB2 GLU 23 2HB GLU 23 11.184 -7.314 13.169 131 HB3 GLU 23 3HB GLU 23 12.583 -7.082 12.130 132 HG2 GLU 23 2HG GLU 23 10.237 -5.230 12.455 133 HG3 GLU 23 3HG GLU 23 11.894 -4.963 12.995 134 H ASN 24 H ASN 24 9.266 -9.199 12.375 135 HA ASN 24 HA ASN 24 11.016 -11.457 12.524 136 HB2 ASN 24 2HB ASN 24 8.123 -11.034 13.268 137 HB3 ASN 24 3HB ASN 24 8.927 -12.589 13.457 138 HD21 ASN 24 1HD2 ASN 24 9.121 -12.806 15.585 139 HD22 ASN 24 2HD2 ASN 24 9.887 -11.670 16.638 140 H CYS 25 H CYS 25 8.232 -10.563 10.561 141 HA CYS 25 HA CYS 25 8.887 -12.764 8.740 142 HB2 CYS 25 2HB CYS 25 6.974 -13.435 10.222 143 HB3 CYS 25 3HB CYS 25 6.052 -12.097 9.548 144 HG CYS 25 HG CYS 25 5.295 -14.629 8.444 145 H SER 26 H SER 26 9.662 -10.158 8.377 146 HA SER 26 HA SER 26 8.810 -8.132 7.275 147 HB2 SER 26 2HB SER 26 9.829 -8.466 5.014 148 HB3 SER 26 3HB SER 26 10.874 -8.976 6.340 149 HG SER 26 HG SER 26 9.228 -10.687 4.782 150 H CYS 27 H CYS 27 6.593 -7.901 7.254 151 HA CYS 27 HA CYS 27 5.261 -8.936 4.850 152 HB2 CYS 27 2HB CYS 27 3.219 -9.366 6.120 153 HB3 CYS 27 3HB CYS 27 4.555 -10.310 6.766 154 HG CYS 27 HG CYS 27 3.632 -7.342 8.175 155 H ASN 28 H ASN 28 3.264 -7.709 4.313 156 HA ASN 28 HA ASN 28 3.285 -4.957 5.327 157 HB2 ASN 28 2HB ASN 28 2.706 -4.736 2.591 158 HB3 ASN 28 3HB ASN 28 4.163 -4.189 3.416 159 HD21 ASN 28 1HD2 ASN 28 5.967 -5.631 3.515 160 HD22 ASN 28 2HD2 ASN 28 6.185 -6.830 2.291 161 H CYS 29 H CYS 29 1.412 -6.073 6.432 162 HA CYS 29 HA CYS 29 -1.004 -5.142 5.415 163 HB2 CYS 29 2HB CYS 29 -1.482 -6.702 3.861 164 HB3 CYS 29 3HB CYS 29 -0.243 -7.799 4.457 165 HG CYS 29 HG CYS 29 -1.789 -9.380 5.799 166 H GLU 30 H GLU 30 -1.956 -4.658 7.271 167 HA GLU 30 HA GLU 30 -1.357 -5.865 9.737 168 HB2 GLU 30 2HB GLU 30 -2.182 -3.658 9.816 169 HB3 GLU 30 3HB GLU 30 -3.578 -4.054 8.823 170 HG2 GLU 30 2HG GLU 30 -3.437 -5.553 11.327 171 HG3 GLU 30 3HG GLU 30 -3.587 -3.809 11.534 172 H LEU 31 H LEU 31 -1.674 -8.036 9.852 173 HA LEU 31 HA LEU 31 -4.426 -8.940 10.012 174 HB2 LEU 31 2HB LEU 31 -3.782 -9.293 7.654 175 HB3 LEU 31 3HB LEU 31 -2.442 -10.302 8.195 176 HG LEU 31 HG LEU 31 -4.049 -11.912 9.127 177 HD11 LEU 31 1HD1 LEU 31 -6.061 -11.095 9.649 178 HD12 LEU 31 2HD1 LEU 31 -6.451 -11.341 7.948 179 HD13 LEU 31 3HD1 LEU 31 -5.917 -9.757 8.510 180 HD21 LEU 31 1HD2 LEU 31 -3.505 -12.696 7.079 181 HD22 LEU 31 2HD2 LEU 31 -3.926 -11.187 6.267 182 HD23 LEU 31 3HD2 LEU 31 -5.194 -12.321 6.736 183 H PHE 32 H PHE 32 -4.548 -9.940 11.899 184 HA PHE 32 HA PHE 32 -2.335 -10.790 13.401 185 HB2 PHE 32 2HB PHE 32 -4.030 -11.896 14.862 186 HB3 PHE 32 3HB PHE 32 -4.403 -10.214 14.502 187 HD1 PHE 32 HD1 PHE 32 -5.472 -13.649 14.205 188 HD2 PHE 32 HD2 PHE 32 -6.180 -9.673 12.860 189 HE1 PHE 32 HE1 PHE 32 -7.694 -14.323 13.391 190 HE2 PHE 32 HE2 PHE 32 -8.403 -10.341 12.044 191 HZ PHE 32 HZ PHE 32 -9.163 -12.668 12.310 192 H ASP 33 H ASP 33 -1.005 -12.303 12.584 193 HA ASP 33 HA ASP 33 -2.186 -14.923 11.949 194 HB2 ASP 33 2HB ASP 33 -1.161 -13.380 10.010 195 HB3 ASP 33 3HB ASP 33 0.325 -14.149 10.560 196 H CYS 34 H CYS 34 -0.427 -16.673 11.974 197 HA CYS 34 HA CYS 34 1.878 -16.253 13.596 198 HB2 CYS 34 2HB CYS 34 0.396 -16.155 15.449 199 HB3 CYS 34 3HB CYS 34 -0.566 -17.500 14.846 200 H GLU 35 H GLU 35 3.311 -17.651 12.837 201 HA GLU 35 HA GLU 35 2.972 -20.417 12.714 202 HB2 GLU 35 2HB GLU 35 3.044 -20.633 10.164 203 HB3 GLU 35 3HB GLU 35 1.494 -20.246 10.898 204 HG2 GLU 35 2HG GLU 35 1.513 -18.076 10.122 205 HG3 GLU 35 3HG GLU 35 3.265 -18.049 9.935 206 H ALA 36 H ALA 36 5.006 -20.715 13.406 207 HA ALA 36 HA ALA 36 7.246 -19.199 12.676 208 HB1 ALA 36 1HB ALA 36 7.590 -22.045 13.474 209 HB2 ALA 36 2HB ALA 36 8.467 -20.609 14.002 210 HB3 ALA 36 3HB ALA 36 6.846 -20.928 14.618 211 H LYS 37 H LYS 37 8.493 -19.190 10.924 212 HA LYS 37 HA LYS 37 8.599 -21.569 9.216 213 HB2 LYS 37 2HB LYS 37 7.029 -19.435 8.533 214 HB3 LYS 37 3HB LYS 37 8.542 -19.030 7.733 215 HG2 LYS 37 2HG LYS 37 7.558 -20.232 6.080 216 HG3 LYS 37 3HG LYS 37 8.377 -21.543 6.932 217 HD2 LYS 37 2HD LYS 37 6.442 -22.457 7.644 218 HD3 LYS 37 3HD LYS 37 5.691 -20.886 7.937 219 HE2 LYS 37 2HE LYS 37 4.523 -22.054 6.164 220 HE3 LYS 37 3HE LYS 37 5.333 -20.627 5.519 221 HZ1 LYS 37 1HZ LYS 37 6.703 -23.226 5.434 222 HZ2 LYS 37 2HZ LYS 37 6.874 -21.890 4.410 223 HZ3 LYS 37 3HZ LYS 37 5.509 -22.883 4.285 224 H LYS 38 H LYS 38 10.423 -21.562 7.724 225 HA LYS 38 HA LYS 38 12.634 -19.853 8.663 226 HB2 LYS 38 2HB LYS 38 14.104 -21.633 8.693 227 HB3 LYS 38 3HB LYS 38 12.618 -22.410 9.226 228 HG2 LYS 38 2HG LYS 38 12.235 -23.136 6.875 229 HG3 LYS 38 3HG LYS 38 13.829 -22.494 6.472 230 HD2 LYS 38 2HD LYS 38 13.956 -24.204 8.795 231 HD3 LYS 38 3HD LYS 38 13.228 -25.048 7.426 232 HE2 LYS 38 2HE LYS 38 15.593 -23.462 6.743 233 HE3 LYS 38 3HE LYS 38 15.910 -24.780 7.871 234 HZ1 LYS 38 1HZ LYS 38 16.101 -25.931 5.957 235 HZ2 LYS 38 2HZ LYS 38 15.109 -24.882 5.075 236 HZ3 LYS 38 3HZ LYS 38 14.418 -26.045 6.091 237 HA PRO 39 HA PRO 39 12.552 -18.641 4.358 238 HB2 PRO 39 2HB PRO 39 14.478 -16.742 4.596 239 HB3 PRO 39 3HB PRO 39 12.806 -16.484 5.108 240 HG2 PRO 39 2HG PRO 39 15.203 -17.200 6.754 241 HG3 PRO 39 3HG PRO 39 13.916 -16.031 7.101 242 HD2 PRO 39 2HD PRO 39 13.972 -18.505 8.200 243 HD3 PRO 39 3HD PRO 39 12.456 -17.662 7.822 244 H ASP 40 H ASP 40 15.484 -19.369 6.202 245 HA ASP 40 HA ASP 40 16.501 -21.202 4.367 246 HB2 ASP 40 2HB ASP 40 18.511 -19.732 3.624 247 HB3 ASP 40 3HB ASP 40 16.982 -19.579 2.764 248 H GLY 41 H GLY 41 16.214 -20.786 7.200 249 HA2 GLY 41 2HA GLY 41 18.878 -21.585 7.999 250 HA3 GLY 41 3HA GLY 41 18.340 -20.066 8.701 251 H SER 42 H SER 42 16.241 -20.130 9.874 252 HA SER 42 HA SER 42 15.597 -22.763 10.982 253 HB2 SER 42 2HB SER 42 17.260 -21.088 12.359 254 HB3 SER 42 3HB SER 42 15.686 -20.617 12.998 255 HG SER 42 HG SER 42 15.457 -22.535 13.900 256 H TYR 43 H TYR 43 13.603 -22.659 12.370 257 HA TYR 43 HA TYR 43 11.622 -21.024 11.002 258 HB2 TYR 43 2HB TYR 43 11.048 -23.064 13.142 259 HB3 TYR 43 3HB TYR 43 9.991 -22.505 11.850 260 HD1 TYR 43 HD1 TYR 43 12.905 -24.619 12.640 261 HD2 TYR 43 HD2 TYR 43 10.079 -23.485 9.669 262 HE1 TYR 43 HE1 TYR 43 13.611 -26.522 11.251 263 HE2 TYR 43 HE2 TYR 43 10.776 -25.385 8.272 264 HH TYR 43 HH TYR 43 13.486 -26.944 8.508 265 H ALA 44 H ALA 44 10.457 -19.414 11.911 266 HA ALA 44 HA ALA 44 9.899 -18.965 14.569 267 HB1 ALA 44 1HB ALA 44 11.898 -16.941 14.320 268 HB2 ALA 44 2HB ALA 44 11.730 -18.192 15.553 269 HB3 ALA 44 3HB ALA 44 12.641 -18.523 14.079 270 H HIS 45 H HIS 45 8.081 -17.891 14.143 271 HA HIS 45 HA HIS 45 8.275 -15.398 12.602 272 HB2 HIS 45 2HB HIS 45 6.455 -17.713 12.132 273 HB3 HIS 45 3HB HIS 45 5.808 -16.093 11.892 274 HD1 HIS 45 HD1 HIS 45 9.242 -15.892 11.002 275 HD2 HIS 45 HD2 HIS 45 5.833 -17.371 9.144 276 HE1 HIS 45 HE1 HIS 45 9.808 -16.011 8.554 277 HA PRO 46 HA PRO 46 5.916 -13.485 15.765 278 HB2 PRO 46 2HB PRO 46 4.192 -11.898 14.395 279 HB3 PRO 46 3HB PRO 46 5.924 -11.562 14.508 280 HG2 PRO 46 2HG PRO 46 4.386 -12.852 12.287 281 HG3 PRO 46 3HG PRO 46 5.676 -11.639 12.197 282 HD2 PRO 46 2HD PRO 46 6.119 -14.272 11.748 283 HD3 PRO 46 3HD PRO 46 7.343 -13.207 12.470 284 H CYS 47 H CYS 47 3.707 -13.117 16.641 285 HA CYS 47 HA CYS 47 1.540 -14.663 15.533 286 HB2 CYS 47 2HB CYS 47 2.953 -15.538 18.052 287 HB3 CYS 47 3HB CYS 47 1.299 -16.013 17.680 288 H ARG 48 H ARG 48 -0.168 -13.405 15.813 289 HA ARG 48 HA ARG 48 -0.521 -11.108 17.051 290 HB2 ARG 48 2HB ARG 48 -2.918 -11.994 17.704 291 HB3 ARG 48 3HB ARG 48 -2.454 -11.797 16.019 292 HG2 ARG 48 2HG ARG 48 -1.821 -14.425 17.139 293 HG3 ARG 48 3HG ARG 48 -3.543 -14.043 17.091 294 HD2 ARG 48 2HD ARG 48 -3.508 -13.720 14.755 295 HD3 ARG 48 3HD ARG 48 -1.746 -13.658 14.714 296 HE ARG 48 HE ARG 48 -1.736 -15.928 14.532 297 HH11 ARG 48 1HH1 ARG 48 -4.780 -14.944 15.905 298 HH12 ARG 48 2HH1 ARG 48 -5.448 -16.543 15.900 299 HH21 ARG 48 1HH2 ARG 48 -2.604 -18.038 14.521 300 HH22 ARG 48 2HH2 ARG 48 -4.208 -18.302 15.113 301 H ARG 49 H ARG 49 -2.324 -13.364 18.946 302 HA ARG 49 HA ARG 49 -1.083 -12.292 21.365 303 HB2 ARG 49 2HB ARG 49 -3.688 -12.601 20.762 304 HB3 ARG 49 3HB ARG 49 -3.390 -14.144 21.550 305 HG2 ARG 49 2HG ARG 49 -2.499 -12.908 23.510 306 HG3 ARG 49 3HG ARG 49 -2.975 -11.404 22.721 307 HD2 ARG 49 2HD ARG 49 -4.705 -11.994 24.252 308 HD3 ARG 49 3HD ARG 49 -5.310 -12.292 22.623 309 HE ARG 49 HE ARG 49 -4.293 -14.693 23.401 310 HH11 ARG 49 1HH1 ARG 49 -6.618 -12.476 24.742 311 HH12 ARG 49 2HH1 ARG 49 -7.544 -13.715 25.523 312 HH21 ARG 49 1HH2 ARG 49 -5.503 -16.334 24.425 313 HH22 ARG 49 2HH2 ARG 49 -6.908 -15.909 25.343 314 H CYS 50 H CYS 50 0.713 -13.877 20.294 315 HA CYS 50 HA CYS 50 0.702 -16.211 22.052 316 HB2 CYS 50 2HB CYS 50 0.233 -16.426 19.292 317 HB3 CYS 50 3HB CYS 50 1.908 -16.913 19.521 318 HG CYS 50 HG CYS 50 -0.773 -18.673 19.979 319 H ASP 51 H ASP 51 3.013 -17.369 21.582 320 HA ASP 51 HA ASP 51 4.931 -15.432 22.462 321 HB2 ASP 51 2HB ASP 51 4.785 -18.362 22.225 322 HB3 ASP 51 3HB ASP 51 6.395 -17.691 21.984 323 H ALA 52 H ALA 52 6.888 -14.859 21.449 324 HA ALA 52 HA ALA 52 6.680 -14.669 18.567 325 HB1 ALA 52 1HB ALA 52 7.856 -13.118 20.622 326 HB2 ALA 52 2HB ALA 52 9.141 -13.605 19.517 327 HB3 ALA 52 3HB ALA 52 7.729 -12.745 18.903 328 H ASN 53 H ASN 53 8.887 -14.884 17.362 329 HA ASN 53 HA ASN 53 10.587 -17.017 18.295 330 HB2 ASN 53 2HB ASN 53 8.821 -17.455 15.876 331 HB3 ASN 53 3HB ASN 53 10.122 -18.522 16.394 332 HD21 ASN 53 1HD2 ASN 53 9.922 -19.355 18.648 333 HD22 ASN 53 2HD2 ASN 53 8.343 -19.800 19.191 334 H ASN 54 H ASN 54 12.568 -16.475 17.691 335 HA ASN 54 HA ASN 54 12.905 -14.843 15.266 336 HB2 ASN 54 2HB ASN 54 14.748 -15.119 17.651 337 HB3 ASN 54 3HB ASN 54 15.014 -14.070 16.261 338 HD21 ASN 54 1HD2 ASN 54 12.135 -14.749 18.212 339 HD22 ASN 54 2HD2 ASN 54 11.844 -13.107 18.663 340 H ILE 55 H ILE 55 14.834 -15.219 13.973 341 HA ILE 55 HA ILE 55 15.399 -18.078 13.764 342 HB ILE 55 HB ILE 55 16.313 -15.982 11.813 343 HG12 ILE 55 2HG1 ILE 55 13.868 -15.726 12.203 344 HG13 ILE 55 3HG1 ILE 55 14.252 -16.259 10.570 345 HG21 ILE 55 1HG2 ILE 55 17.199 -17.784 10.858 346 HG22 ILE 55 2HG2 ILE 55 16.368 -18.863 11.976 347 HG23 ILE 55 3HG2 ILE 55 15.555 -18.318 10.509 348 HD11 ILE 55 1HD1 ILE 55 13.156 -18.187 10.821 349 HD12 ILE 55 2HD1 ILE 55 13.762 -18.435 12.459 350 HD13 ILE 55 3HD1 ILE 55 12.378 -17.377 12.180 351 H CYS 56 H CYS 56 16.854 -18.244 15.527 352 HA CYS 56 HA CYS 56 19.308 -16.700 15.461 353 HB2 CYS 56 2HB CYS 56 17.904 -18.370 17.402 354 HB3 CYS 56 3HB CYS 56 19.637 -18.671 17.378 355 HG CYS 56 HG CYS 56 18.048 -15.731 18.078 356 H LYS 57 H LYS 57 20.625 -17.283 13.830 357 HA LYS 57 HA LYS 57 21.506 -18.799 12.239 358 HB2 LYS 57 2HB LYS 57 22.910 -19.428 14.842 359 HB3 LYS 57 3HB LYS 57 23.565 -19.666 13.228 360 HG2 LYS 57 2HG LYS 57 22.776 -16.984 14.340 361 HG3 LYS 57 3HG LYS 57 24.412 -17.644 14.404 362 HD2 LYS 57 2HD LYS 57 24.808 -17.130 12.263 363 HD3 LYS 57 3HD LYS 57 23.249 -17.768 11.738 364 HE2 LYS 57 2HE LYS 57 23.126 -15.247 13.244 365 HE3 LYS 57 3HE LYS 57 23.940 -15.144 11.684 366 HZ1 LYS 57 1HZ LYS 57 21.163 -15.380 12.249 367 HZ2 LYS 57 2HZ LYS 57 21.673 -16.622 11.221 368 HZ3 LYS 57 3HZ LYS 57 21.930 -15.007 10.788 369 H CYS 58 H CYS 58 19.866 -20.267 11.695 370 HA CYS 58 HA CYS 58 18.771 -22.266 11.597 371 HB2 CYS 58 2HB CYS 58 21.572 -23.082 12.355 372 HB3 CYS 58 3HB CYS 58 20.319 -24.267 12.009 373 HG CYS 58 HG CYS 58 19.886 -23.256 9.383 374 H SER 59 H SER 59 18.628 -20.821 14.138 375 HA SER 59 HA SER 59 17.813 -23.080 15.818 376 HB2 SER 59 2HB SER 59 20.122 -21.838 16.405 377 HB3 SER 59 3HB SER 59 19.005 -20.754 17.235 378 HG SER 59 HG SER 59 19.880 -23.135 18.024 379 H CYS 60 H CYS 60 15.758 -22.860 16.372 380 HA CYS 60 HA CYS 60 14.400 -20.341 15.995 381 HB2 CYS 60 2HB CYS 60 12.366 -21.618 16.572 382 HB3 CYS 60 3HB CYS 60 13.297 -22.396 15.298 383 HG CYS 60 HG CYS 60 13.643 -23.374 18.545 384 H THR 61 H THR 61 13.732 -18.950 17.526 385 HA THR 61 HA THR 61 14.505 -19.537 20.295 386 HB THR 61 HB THR 61 14.726 -17.257 20.687 387 HG1 THR 61 HG1 THR 61 13.718 -15.676 19.356 388 HG21 THR 61 1HG2 THR 61 15.310 -17.032 17.780 389 HG22 THR 61 2HG2 THR 61 16.162 -18.273 18.698 390 HG23 THR 61 3HG2 THR 61 16.296 -16.579 19.169 391 H ALA 62 H ALA 62 13.082 -19.322 22.003 392 HA ALA 62 HA ALA 62 10.237 -19.125 21.257 393 HB1 ALA 62 1HB ALA 62 10.629 -21.324 22.014 394 HB2 ALA 62 2HB ALA 62 11.600 -20.765 23.377 395 HB3 ALA 62 3HB ALA 62 9.859 -20.484 23.361 396 H ILE 63 H ILE 63 9.832 -16.989 21.628 397 HA ILE 63 HA ILE 63 9.973 -16.125 24.423 398 HB ILE 63 HB ILE 63 10.464 -13.761 23.219 399 HG12 ILE 63 2HG1 ILE 63 11.903 -15.870 21.601 400 HG13 ILE 63 3HG1 ILE 63 10.771 -14.661 21.004 401 HG21 ILE 63 1HG2 ILE 63 12.904 -15.308 23.786 402 HG22 ILE 63 2HG2 ILE 63 12.340 -13.782 24.466 403 HG23 ILE 63 3HG2 ILE 63 11.684 -15.308 25.059 404 HD11 ILE 63 1HD1 ILE 63 12.341 -12.898 21.505 405 HD12 ILE 63 2HD1 ILE 63 13.462 -14.064 22.208 406 HD13 ILE 63 3HD1 ILE 63 13.101 -14.118 20.483 407 HA PRO 64 HA PRO 64 5.977 -14.407 23.844 408 HB2 PRO 64 2HB PRO 64 6.119 -11.981 25.056 409 HB3 PRO 64 3HB PRO 64 6.120 -13.505 25.953 410 HG2 PRO 64 2HG PRO 64 8.425 -11.754 25.189 411 HG3 PRO 64 3HG PRO 64 8.107 -12.576 26.727 412 HD2 PRO 64 2HD PRO 64 9.845 -13.544 24.890 413 HD3 PRO 64 3HD PRO 64 8.891 -14.600 25.952 414 H CYS 65 H CYS 65 5.051 -13.654 22.054 415 HA CYS 65 HA CYS 65 6.265 -12.326 19.995 416 HB2 CYS 65 2HB CYS 65 4.092 -13.383 19.741 417 HB3 CYS 65 3HB CYS 65 3.356 -12.198 20.814 418 HG CYS 65 HG CYS 65 3.072 -10.254 19.087 419 H ASN 66 H ASN 66 6.768 -10.272 19.477 420 HA ASN 66 HA ASN 66 7.073 -8.320 21.426 421 HB2 ASN 66 2HB ASN 66 7.161 -8.337 18.447 422 HB3 ASN 66 3HB ASN 66 7.095 -6.774 19.255 423 HD21 ASN 66 1HD2 ASN 66 8.610 -9.583 20.652 424 HD22 ASN 66 2HD2 ASN 66 10.236 -9.008 20.536 425 H GLU 67 H GLU 67 4.217 -9.430 20.319 426 HA GLU 67 HA GLU 67 2.862 -6.893 20.936 427 HB2 GLU 67 2HB GLU 67 1.488 -8.738 19.073 428 HB3 GLU 67 3HB GLU 67 1.506 -6.981 19.110 429 HG2 GLU 67 2HG GLU 67 3.643 -6.910 18.048 430 HG3 GLU 67 3HG GLU 67 3.821 -8.659 18.180 431 H ASP 68 H ASP 68 3.356 -10.061 21.752 432 HA ASP 68 HA ASP 68 0.668 -10.540 22.774 433 HB2 ASP 68 2HB ASP 68 1.700 -12.452 21.766 434 HB3 ASP 68 3HB ASP 68 3.166 -12.236 22.717 435 H HIS 69 H HIS 69 0.757 -8.740 24.279 436 HA HIS 69 HA HIS 69 2.417 -9.277 26.650 437 HB2 HIS 69 2HB HIS 69 0.984 -6.682 26.211 438 HB3 HIS 69 3HB HIS 69 2.457 -6.999 27.123 439 HD1 HIS 69 HD1 HIS 69 3.819 -8.569 24.657 440 HD2 HIS 69 HD2 HIS 69 2.202 -4.742 24.621 441 HE1 HIS 69 HE1 HIS 69 4.943 -7.382 22.745 442 HA PRO 70 HA PRO 70 -1.034 -9.426 29.437 443 HB2 PRO 70 2HB PRO 70 -1.351 -7.071 30.751 444 HB3 PRO 70 3HB PRO 70 -0.005 -8.173 31.065 445 HG2 PRO 70 2HG PRO 70 -0.074 -5.696 29.385 446 HG3 PRO 70 3HG PRO 70 1.170 -6.239 30.527 447 HD2 PRO 70 2HD PRO 70 1.416 -6.550 27.848 448 HD3 PRO 70 3HD PRO 70 2.101 -7.704 29.010 449 H CYS 71 H CYS 71 -1.564 -8.306 26.681 450 HA CYS 71 HA CYS 71 -4.319 -7.482 27.216 451 HB2 CYS 71 2HB CYS 71 -2.476 -5.592 26.545 452 HB3 CYS 71 3HB CYS 71 -3.058 -6.069 24.955 453 HG CYS 71 HG CYS 71 -4.720 -4.064 25.254 454 H HIS 72 H HIS 72 -5.545 -7.385 25.017 455 HA HIS 72 HA HIS 72 -5.630 -9.937 23.941 456 HB2 HIS 72 2HB HIS 72 -6.625 -7.290 22.909 457 HB3 HIS 72 3HB HIS 72 -6.886 -8.783 22.014 458 HD1 HIS 72 HD1 HIS 72 -7.139 -8.498 25.768 459 HD2 HIS 72 HD2 HIS 72 -9.593 -8.991 22.452 460 HE1 HIS 72 HE1 HIS 72 -9.419 -9.019 26.691 461 H HIS 73 H HIS 73 -5.368 -10.436 21.539 462 HA HIS 73 HA HIS 73 -2.829 -10.719 20.771 463 HB2 HIS 73 2HB HIS 73 -3.760 -10.345 18.322 464 HB3 HIS 73 3HB HIS 73 -4.271 -11.726 19.289 465 HD1 HIS 73 HD1 HIS 73 -5.484 -8.179 18.611 466 HD2 HIS 73 HD2 HIS 73 -6.957 -11.983 19.402 467 HE1 HIS 73 HE1 HIS 73 -7.986 -7.975 18.464 468 H CYS 74 H CYS 74 -1.458 -9.645 19.150 469 HA CYS 74 HA CYS 74 -0.381 -7.340 19.731 470 HB2 CYS 74 2HB CYS 74 0.316 -7.007 17.486 471 HB3 CYS 74 3HB CYS 74 0.102 -8.744 17.671 472 HG CYS 74 HG CYS 74 -2.003 -9.032 16.082 473 H HIS 75 H HIS 75 -0.620 -5.113 19.380 474 HA HIS 75 HA HIS 75 -2.810 -3.806 20.028 475 HB2 HIS 75 2HB HIS 75 -0.758 -2.627 19.457 476 HB3 HIS 75 3HB HIS 75 -1.007 -2.968 17.747 477 HD1 HIS 75 HD1 HIS 75 -2.097 -0.706 20.491 478 HD2 HIS 75 HD2 HIS 75 -2.982 -1.393 16.490 479 HE1 HIS 75 HE1 HIS 75 -3.455 1.278 19.753 480 H GLU 76 H GLU 76 -4.831 -4.405 19.499 481 HA GLU 76 HA GLU 76 -5.819 -3.772 16.887 482 HB2 GLU 76 2HB GLU 76 -4.818 -6.234 16.919 483 HB3 GLU 76 3HB GLU 76 -6.381 -6.601 17.636 484 HG2 GLU 76 2HG GLU 76 -7.531 -6.125 15.724 485 HG3 GLU 76 3HG GLU 76 -6.321 -4.979 15.150 486 H GLU 77 H GLU 77 -7.242 -2.412 17.923 487 HA GLU 77 HA GLU 77 -9.248 -1.827 18.836 488 HB2 GLU 77 2HB GLU 77 -9.719 -4.347 17.859 489 HB3 GLU 77 3HB GLU 77 -10.142 -4.529 19.555 490 HG2 GLU 77 2HG GLU 77 -12.095 -3.573 19.183 491 HG3 GLU 77 3HG GLU 77 -11.287 -2.109 18.627 492 H ASP 78 H ASP 78 -10.689 -2.769 20.954 493 HA ASP 78 HA ASP 78 -8.725 -3.043 23.128 494 HB2 ASP 78 2HB ASP 78 -9.748 -1.363 24.422 495 HB3 ASP 78 3HB ASP 78 -9.658 -0.675 22.802 496 H ASP 79 H ASP 79 -10.420 -5.017 21.797 497 HA ASP 79 HA ASP 79 -12.740 -5.696 23.105 498 HB2 ASP 79 2HB ASP 79 -10.569 -7.368 21.871 499 HB3 ASP 79 3HB ASP 79 -11.959 -8.129 22.640 500 H GLY 80 H GLY 80 -13.116 -7.436 24.713 501 HA2 GLY 80 2HA GLY 80 -11.548 -8.655 26.466 502 HA3 GLY 80 3HA GLY 80 -11.376 -6.994 27.014 503 H ASP 81 H ASP 81 -12.266 -8.162 28.988 504 HA ASP 81 HA ASP 81 -15.212 -8.170 28.888 505 HB2 ASP 81 2HB ASP 81 -13.375 -10.098 29.916 506 HB3 ASP 81 3HB ASP 81 -14.281 -9.424 31.268 507 H THR 82 H THR 82 -15.844 -8.020 31.508 508 HA THR 82 HA THR 82 -15.720 -5.303 32.082 509 HB THR 82 HB THR 82 -16.099 -7.465 34.156 510 HG1 THR 82 HG1 THR 82 -17.505 -7.102 31.954 511 HG21 THR 82 1HG2 THR 82 -15.878 -5.015 34.829 512 HG22 THR 82 2HG2 THR 82 -17.324 -5.862 35.378 513 HG23 THR 82 3HG2 THR 82 -17.414 -4.764 34.002 514 H HIS 83 H HIS 83 -14.283 -7.729 34.247 515 HA HIS 83 HA HIS 83 -12.572 -6.030 35.583 516 HB2 HIS 83 2HB HIS 83 -12.141 -8.957 34.950 517 HB3 HIS 83 3HB HIS 83 -11.272 -8.049 36.183 518 HD1 HIS 83 HD1 HIS 83 -14.391 -6.679 36.640 519 HD2 HIS 83 HD2 HIS 83 -12.906 -10.495 37.344 520 HE1 HIS 83 HE1 HIS 83 -15.937 -7.699 38.342 521 H CYS 84 H CYS 84 -11.938 -7.905 32.641 522 HA CYS 84 HA CYS 84 -9.238 -7.333 32.332 523 HB2 CYS 84 2HB CYS 84 -11.394 -8.341 30.668 524 HB3 CYS 84 3HB CYS 84 -10.274 -7.351 29.741 525 HG CYS 84 HG CYS 84 -9.183 -9.714 29.254 526 H HIS 85 H HIS 85 -12.043 -5.540 31.082 527 HA HIS 85 HA HIS 85 -10.497 -3.483 29.880 528 HB2 HIS 85 2HB HIS 85 -12.476 -2.851 29.039 529 HB3 HIS 85 3HB HIS 85 -13.179 -4.229 29.881 530 HD1 HIS 85 HD1 HIS 85 -13.951 -3.621 32.460 531 HD2 HIS 85 HD2 HIS 85 -13.546 -0.478 29.774 532 HE1 HIS 85 HE1 HIS 85 -15.249 -1.713 33.458 533 H CYS 86 H CYS 86 -11.663 -4.047 33.092 534 HA CYS 86 HA CYS 86 -11.417 -1.337 33.990 535 HB2 CYS 86 2HB CYS 86 -12.132 -3.938 35.166 536 HB3 CYS 86 3HB CYS 86 -11.310 -2.842 36.271 537 HG CYS 86 HG CYS 86 -13.551 -1.797 36.962 538 H SER 87 H SER 87 -9.328 -4.127 33.820 539 HA SER 87 HA SER 87 -7.302 -2.981 35.526 540 HB2 SER 87 2HB SER 87 -7.135 -5.391 33.701 541 HB3 SER 87 3HB SER 87 -5.998 -4.970 34.981 542 HG SER 87 HG SER 87 -7.815 -6.566 35.392 543 H CYS 88 H CYS 88 -8.087 -2.994 32.162 544 HA CYS 88 HA CYS 88 -5.450 -2.169 31.304 545 HB2 CYS 88 2HB CYS 88 -8.085 -2.491 29.869 546 HB3 CYS 88 3HB CYS 88 -6.648 -1.855 29.078 547 HG CYS 88 HG CYS 88 -6.207 -4.788 30.653 548 H GLU 89 H GLU 89 -8.575 -0.700 31.953 549 HA GLU 89 HA GLU 89 -7.969 1.851 30.869 550 HB2 GLU 89 2HB GLU 89 -10.253 0.727 31.652 551 HB3 GLU 89 3HB GLU 89 -9.886 1.599 33.134 552 HG2 GLU 89 2HG GLU 89 -9.886 3.690 31.992 553 HG3 GLU 89 3HG GLU 89 -9.993 2.894 30.423 554 H HIS 90 H HIS 90 -7.451 0.354 33.989 555 HA HIS 90 HA HIS 90 -6.564 2.853 35.185 556 HB2 HIS 90 2HB HIS 90 -6.934 1.856 37.171 557 HB3 HIS 90 3HB HIS 90 -7.766 0.620 36.232 558 HD1 HIS 90 HD1 HIS 90 -6.127 -1.449 35.477 559 HD2 HIS 90 HD2 HIS 90 -4.892 0.901 38.673 560 HE1 HIS 90 HE1 HIS 90 -4.400 -2.817 36.690 561 H SER 91 H SER 91 -5.233 -0.081 33.838 562 HA SER 91 HA SER 91 -2.583 0.306 34.834 563 HB2 SER 91 2HB SER 91 -3.351 -1.924 34.209 564 HB3 SER 91 3HB SER 91 -3.605 -1.395 32.546 565 HG SER 91 HG SER 91 -1.376 -1.069 32.362 566 H HIS 92 H HIS 92 -4.291 1.159 31.880 567 HA HIS 92 HA HIS 92 -1.931 2.143 30.559 568 HB2 HIS 92 2HB HIS 92 -4.864 2.445 29.883 569 HB3 HIS 92 3HB HIS 92 -3.538 2.963 28.847 570 HD1 HIS 92 HD1 HIS 92 -5.724 0.733 28.175 571 HD2 HIS 92 HD2 HIS 92 -1.802 0.078 29.378 572 HE1 HIS 92 HE1 HIS 92 -5.139 -1.564 27.337 573 H ASP 93 H ASP 93 -4.440 3.444 32.587 574 HA ASP 93 HA ASP 93 -4.054 6.184 31.960 575 HB2 ASP 93 2HB ASP 93 -6.097 5.423 33.044 576 HB3 ASP 93 3HB ASP 93 -5.180 4.877 34.445 577 H HIS 94 H HIS 94 -2.339 3.935 33.932 578 HA HIS 94 HA HIS 94 -0.964 5.996 35.445 579 HB2 HIS 94 2HB HIS 94 -1.550 3.317 35.916 580 HB3 HIS 94 3HB HIS 94 0.186 3.329 35.620 581 HD1 HIS 94 HD1 HIS 94 -2.156 5.563 37.641 582 HD2 HIS 94 HD2 HIS 94 1.473 3.568 37.972 583 HE1 HIS 94 HE1 HIS 94 -1.317 6.075 39.955 584 H HIS 95 H HIS 95 -0.274 3.692 32.858 585 HA HIS 95 HA HIS 95 2.320 5.026 32.446 586 HB2 HIS 95 2HB HIS 95 1.422 2.203 31.901 587 HB3 HIS 95 3HB HIS 95 2.848 2.884 31.125 588 HD1 HIS 95 HD1 HIS 95 3.451 4.496 33.969 589 HD2 HIS 95 HD2 HIS 95 3.182 0.412 33.256 590 HE1 HIS 95 HE1 HIS 95 4.749 3.402 35.825 591 H ASP 96 H ASP 96 -0.164 6.065 31.476 592 HA ASP 96 HA ASP 96 -0.814 5.428 28.863 593 HB2 ASP 96 2HB ASP 96 -1.403 7.950 28.714 594 HB3 ASP 96 3HB ASP 96 -2.253 6.952 29.890 595 H ASP 97 H ASP 97 1.918 7.204 30.101 596 HA ASP 97 HA ASP 97 2.724 8.414 27.671 597 HB2 ASP 97 2HB ASP 97 4.673 9.055 28.795 598 HB3 ASP 97 3HB ASP 97 3.483 8.935 30.088 599 H ASP 98 H ASP 98 2.713 5.199 28.663 600 HA ASP 98 HA ASP 98 4.452 4.472 26.420 601 HB2 ASP 98 2HB ASP 98 5.792 4.341 28.515 602 HB3 ASP 98 3HB ASP 98 4.634 3.172 29.145 603 H THR 99 H THR 99 1.688 4.506 26.389 604 HA THR 99 HA THR 99 1.019 1.635 26.459 605 HB THR 99 HB THR 99 -1.377 2.368 26.655 606 HG1 THR 99 HG1 THR 99 -1.784 4.500 27.206 607 HG21 THR 99 1HG2 THR 99 -0.916 1.746 28.753 608 HG22 THR 99 2HG2 THR 99 -0.691 3.459 29.109 609 HG23 THR 99 3HG2 THR 99 0.696 2.456 28.687 610 H HIS 100 H HIS 100 2.072 3.676 24.350 611 HA HIS 100 HA HIS 100 0.451 2.598 22.186 612 HB2 HIS 100 2HB HIS 100 -0.150 5.107 23.093 613 HB3 HIS 100 3HB HIS 100 1.019 5.463 21.826 614 HD1 HIS 100 HD1 HIS 100 0.248 5.233 19.431 615 HD2 HIS 100 HD2 HIS 100 -2.524 3.797 22.172 616 HE1 HIS 100 HE1 HIS 100 -1.843 4.791 18.104 617 H GLY 101 H GLY 101 1.484 3.931 20.060 618 HA2 GLY 101 2HA GLY 101 4.222 2.943 20.053 619 HA3 GLY 101 3HA GLY 101 3.293 3.452 18.651 620 H GLU 102 H GLU 102 5.695 4.306 20.873 621 HA GLU 102 HA GLU 102 5.726 7.050 19.805 622 HB2 GLU 102 2HB GLU 102 5.704 7.920 21.859 623 HB3 GLU 102 3HB GLU 102 5.384 6.310 22.488 624 HG2 GLU 102 2HG GLU 102 7.230 6.870 23.698 625 HG3 GLU 102 3HG GLU 102 7.985 6.064 22.325 626 H CYS 103 H CYS 103 7.863 8.046 19.736 627 HA CYS 103 HA CYS 103 10.027 6.058 19.503 628 HB2 CYS 103 2HB CYS 103 9.068 6.984 17.311 629 HB3 CYS 103 3HB CYS 103 9.816 8.511 17.766 630 H THR 104 H THR 104 11.225 6.436 21.274 631 HA THR 104 HA THR 104 11.530 8.840 22.632 632 HB THR 104 HB THR 104 13.755 6.822 22.511 633 HG1 THR 104 HG1 THR 104 11.207 6.564 23.749 634 HG21 THR 104 1HG2 THR 104 13.381 7.412 25.109 635 HG22 THR 104 2HG2 THR 104 12.802 8.908 24.376 636 HG23 THR 104 3HG2 THR 104 14.440 8.342 24.049 637 H LYS 105 H LYS 105 13.438 10.212 22.825 638 HA LYS 105 HA LYS 105 14.163 11.508 20.536 639 HB2 LYS 105 2HB LYS 105 16.422 11.684 22.220 640 HB3 LYS 105 3HB LYS 105 15.095 12.829 22.073 641 HG2 LYS 105 2HG LYS 105 13.902 11.795 23.855 642 HG3 LYS 105 3HG LYS 105 15.034 10.441 23.902 643 HD2 LYS 105 2HD LYS 105 16.796 12.335 24.337 644 HD3 LYS 105 3HD LYS 105 15.379 13.247 24.863 645 HE2 LYS 105 2HE LYS 105 15.262 12.117 26.781 646 HE3 LYS 105 3HE LYS 105 15.395 10.566 25.955 647 HZ1 LYS 105 1HZ LYS 105 17.472 10.389 26.655 648 HZ2 LYS 105 2HZ LYS 105 17.320 11.844 27.505 649 HZ3 LYS 105 3HZ LYS 105 17.896 11.850 25.915 650 H LYS 106 H LYS 106 16.991 11.634 20.517 651 HA LYS 106 HA LYS 106 17.916 10.280 18.514 652 HB2 LYS 106 2HB LYS 106 19.433 11.548 19.908 653 HB3 LYS 106 3HB LYS 106 19.331 10.341 21.183 654 HG2 LYS 106 2HG LYS 106 20.175 9.157 18.690 655 HG3 LYS 106 3HG LYS 106 21.231 10.490 19.166 656 HD2 LYS 106 2HD LYS 106 21.693 9.477 21.270 657 HD3 LYS 106 3HD LYS 106 20.429 8.267 21.036 658 HE2 LYS 106 2HE LYS 106 22.209 8.125 18.828 659 HE3 LYS 106 3HE LYS 106 23.174 8.141 20.304 660 HZ1 LYS 106 1HZ LYS 106 22.715 5.984 20.429 661 HZ2 LYS 106 2HZ LYS 106 21.510 6.071 19.245 662 HZ3 LYS 106 3HZ LYS 106 21.137 6.417 20.858 663 H ALA 107 H ALA 107 17.102 8.708 21.542 664 HA ALA 107 HA ALA 107 18.152 6.159 20.969 665 HB1 ALA 107 1HB ALA 107 15.807 5.902 22.563 666 HB2 ALA 107 2HB ALA 107 17.498 5.808 23.059 667 HB3 ALA 107 3HB ALA 107 16.665 7.363 23.053 668 HA PRO 108 HA PRO 108 15.301 4.213 18.257 669 HB2 PRO 108 2HB PRO 108 14.721 1.847 19.453 670 HB3 PRO 108 3HB PRO 108 16.294 2.196 18.728 671 HG2 PRO 108 2HG PRO 108 15.466 2.310 21.602 672 HG3 PRO 108 3HG PRO 108 16.955 1.660 20.892 673 HD2 PRO 108 2HD PRO 108 16.841 4.104 22.053 674 HD3 PRO 108 3HD PRO 108 17.917 3.745 20.688 675 H CYS 109 H CYS 109 13.103 3.416 17.936 676 HA CYS 109 HA CYS 109 11.248 4.713 19.776 677 HB2 CYS 109 2HB CYS 109 10.301 3.376 17.289 678 HB3 CYS 109 3HB CYS 109 9.781 4.892 18.017 679 H TRP 110 H TRP 110 9.156 3.593 20.225 680 HA TRP 110 HA TRP 110 9.496 0.684 20.498 681 HB2 TRP 110 2HB TRP 110 8.836 0.683 22.748 682 HB3 TRP 110 3HB TRP 110 9.932 2.058 22.638 683 HD1 TRP 110 HD1 TRP 110 6.179 2.025 21.687 684 HE1 TRP 110 HE1 TRP 110 4.980 3.798 23.116 685 HE3 TRP 110 HE3 TRP 110 10.097 3.475 24.633 686 HZ2 TRP 110 HZ2 TRP 110 5.613 5.577 25.214 687 HZ3 TRP 110 HZ3 TRP 110 9.716 5.219 26.327 688 HH2 TRP 110 HH2 TRP 110 7.520 6.247 26.609 689 H ARG 111 H ARG 111 7.362 -0.386 21.096 690 HA ARG 111 HA ARG 111 5.070 1.021 19.921 691 HB2 ARG 111 2HB ARG 111 4.755 -1.631 19.125 692 HB3 ARG 111 3HB ARG 111 5.165 -0.265 18.097 693 HG2 ARG 111 2HG ARG 111 6.758 -1.955 17.663 694 HG3 ARG 111 3HG ARG 111 7.577 -0.722 18.624 695 HD2 ARG 111 2HD ARG 111 6.886 -2.192 20.643 696 HD3 ARG 111 3HD ARG 111 6.661 -3.454 19.433 697 HE ARG 111 HE ARG 111 9.194 -2.254 19.112 698 HH11 ARG 111 1HH1 ARG 111 7.446 -4.392 21.232 699 HH12 ARG 111 2HH1 ARG 111 8.861 -5.243 21.754 700 HH21 ARG 111 1HH2 ARG 111 11.065 -3.366 19.793 701 HH22 ARG 111 2HH2 ARG 111 10.920 -4.658 20.936 702 H CYS 112 H CYS 112 3.347 0.913 21.196 703 HA CYS 112 HA CYS 112 2.930 -1.455 22.864 704 HB2 CYS 112 2HB CYS 112 2.845 1.381 23.918 705 HB3 CYS 112 3HB CYS 112 2.408 -0.062 24.825 706 HG CYS 112 HG CYS 112 5.397 -0.597 23.710 707 H GLU 113 H GLU 113 0.726 -1.563 23.758 708 HA GLU 113 HA GLU 113 -1.200 -0.171 22.015 709 HB2 GLU 113 2HB GLU 113 -2.664 -2.220 22.463 710 HB3 GLU 113 3HB GLU 113 -1.298 -2.429 21.376 711 HG2 GLU 113 2HG GLU 113 -1.425 -4.317 22.834 712 HG3 GLU 113 3HG GLU 113 0.002 -3.372 23.252 713 H TYR 114 H TYR 114 -3.369 0.115 22.948 714 HA TYR 114 HA TYR 114 -3.364 0.282 25.882 715 HB2 TYR 114 2HB TYR 114 -4.138 2.502 25.906 716 HB3 TYR 114 3HB TYR 114 -2.857 2.507 24.698 717 HD1 TYR 114 HD1 TYR 114 -5.988 3.749 25.359 718 HD2 TYR 114 HD2 TYR 114 -3.850 1.801 22.240 719 HE1 TYR 114 HE1 TYR 114 -7.557 4.681 23.710 720 HE2 TYR 114 HE2 TYR 114 -5.412 2.729 20.582 721 HH TYR 114 HH TYR 114 -8.293 3.816 21.178 722 H ASN 115 H ASN 115 -5.835 1.342 26.298 723 HA ASN 115 HA ASN 115 -7.780 -0.146 24.736 724 HB2 ASN 115 2HB ASN 115 -7.097 -1.808 26.378 725 HB3 ASN 115 3HB ASN 115 -7.360 -0.660 27.688 726 HD21 ASN 115 1HD2 ASN 115 -8.645 -3.228 26.138 727 HD22 ASN 115 2HD2 ASN 115 -10.316 -2.994 26.508 728 H ALA 116 H ALA 116 -9.204 1.392 24.271 729 HA ALA 116 HA ALA 116 -10.609 2.753 26.377 730 HB1 ALA 116 1HB ALA 116 -9.448 4.665 24.430 731 HB2 ALA 116 2HB ALA 116 -9.893 4.896 26.121 732 HB3 ALA 116 3HB ALA 116 -8.395 4.061 25.710 733 H ASP 117 H ASP 117 -12.229 4.368 25.353 734 HA ASP 117 HA ASP 117 -13.419 3.011 23.044 735 HB2 ASP 117 2HB ASP 117 -14.921 3.144 24.895 736 HB3 ASP 117 3HB ASP 117 -14.572 4.853 25.139 737 H LEU 118 H LEU 118 -12.798 3.867 21.165 738 HA LEU 118 HA LEU 118 -13.544 6.462 20.396 739 HB2 LEU 118 2HB LEU 118 -11.316 7.451 20.049 740 HB3 LEU 118 3HB LEU 118 -11.714 7.224 21.751 741 HG LEU 118 HG LEU 118 -10.330 4.926 21.128 742 HD11 LEU 118 1HD1 LEU 118 -9.760 6.684 19.054 743 HD12 LEU 118 2HD1 LEU 118 -8.849 5.243 19.503 744 HD13 LEU 118 3HD1 LEU 118 -8.381 6.817 20.146 745 HD21 LEU 118 1HD2 LEU 118 -8.535 5.927 22.456 746 HD22 LEU 118 2HD2 LEU 118 -10.119 6.250 23.163 747 HD23 LEU 118 3HD2 LEU 118 -9.279 7.515 22.266 748 H LYS 119 H LYS 119 -12.320 7.061 18.236 749 HA LYS 119 HA LYS 119 -12.961 5.228 16.312 750 HB2 LYS 119 2HB LYS 119 -12.212 7.694 16.087 751 HB3 LYS 119 3HB LYS 119 -10.586 7.038 15.956 752 HG2 LYS 119 2HG LYS 119 -12.237 5.579 14.182 753 HG3 LYS 119 3HG LYS 119 -12.573 7.295 13.944 754 HD2 LYS 119 2HD LYS 119 -9.947 7.475 13.998 755 HD3 LYS 119 3HD LYS 119 -10.042 5.775 13.535 756 HE2 LYS 119 2HE LYS 119 -10.959 6.241 11.494 757 HE3 LYS 119 3HE LYS 119 -11.735 7.719 12.058 758 HZ1 LYS 119 1HZ LYS 119 -8.859 7.344 11.431 759 HZ2 LYS 119 2HZ LYS 119 -9.495 8.737 12.150 760 HZ3 LYS 119 3HZ LYS 119 -9.970 8.300 10.586 761 H HIS 120 H HIS 120 -11.744 3.801 14.977 762 HA HIS 120 HA HIS 120 -9.851 2.226 16.457 763 HB2 HIS 120 2HB HIS 120 -11.639 1.362 14.835 764 HB3 HIS 120 3HB HIS 120 -10.546 1.862 13.548 765 HD1 HIS 120 HD1 HIS 120 -11.043 -0.748 16.143 766 HD2 HIS 120 HD2 HIS 120 -8.185 0.318 13.322 767 HE1 HIS 120 HE1 HIS 120 -9.494 -2.722 15.976 768 H ASP 121 H ASP 121 -7.753 2.635 16.555 769 HA ASP 121 HA ASP 121 -6.473 3.984 14.268 770 HB2 ASP 121 2HB ASP 121 -6.633 5.104 16.652 771 HB3 ASP 121 3HB ASP 121 -5.266 4.051 17.003 772 H VAL 122 H VAL 122 -4.169 3.462 13.956 773 HA VAL 122 HA VAL 122 -3.524 0.714 14.802 774 HB VAL 122 HB VAL 122 -2.354 0.491 12.558 775 HG11 VAL 122 1HG1 VAL 122 -4.685 -0.402 13.302 776 HG12 VAL 122 2HG1 VAL 122 -5.298 0.788 12.151 777 HG13 VAL 122 3HG1 VAL 122 -4.212 -0.491 11.606 778 HG21 VAL 122 1HG2 VAL 122 -4.162 2.319 11.229 779 HG22 VAL 122 2HG2 VAL 122 -3.061 3.166 12.317 780 HG23 VAL 122 3HG2 VAL 122 -2.418 2.126 11.045 781 H CYS 123 H CYS 123 -1.858 0.877 16.154 782 HA CYS 123 HA CYS 123 0.609 2.047 15.256 783 HB2 CYS 123 2HB CYS 123 -1.069 3.762 16.607 784 HB3 CYS 123 3HB CYS 123 -0.041 3.146 17.894 785 HG CYS 123 HG CYS 123 1.103 4.648 15.038 786 H GLY 124 H GLY 124 2.006 2.165 17.609 787 HA2 GLY 124 2HA GLY 124 3.153 0.820 19.072 788 HA3 GLY 124 3HA GLY 124 1.590 0.116 19.456 789 H CYS 125 H CYS 125 1.854 -2.021 19.448 790 HA CYS 125 HA CYS 125 3.772 -3.435 17.985 791 HB2 CYS 125 2HB CYS 125 1.137 -4.586 18.900 792 HB3 CYS 125 3HB CYS 125 2.674 -5.421 18.713 793 HG CYS 125 HG CYS 125 3.862 -4.450 20.937 794 H GLU 126 H GLU 126 0.816 -2.065 16.989 795 HA GLU 126 HA GLU 126 0.734 -3.753 14.584 796 HB2 GLU 126 2HB GLU 126 -1.353 -3.567 15.928 797 HB3 GLU 126 3HB GLU 126 -1.364 -1.837 15.615 798 HG2 GLU 126 2HG GLU 126 -2.824 -3.402 14.172 799 HG3 GLU 126 3HG GLU 126 -1.921 -2.101 13.398 800 H CYS 127 H CYS 127 2.618 -1.519 15.125 801 HA CYS 127 HA CYS 127 1.869 0.735 13.585 802 HB2 CYS 127 2HB CYS 127 4.266 -0.230 14.953 803 HB3 CYS 127 3HB CYS 127 4.630 0.661 13.480 804 HG CYS 127 HG CYS 127 4.270 1.949 16.310 805 H SER 128 H SER 128 1.880 1.075 11.456 806 HA SER 128 HA SER 128 2.406 -1.091 9.668 807 HB2 SER 128 2HB SER 128 1.656 1.801 9.215 808 HB3 SER 128 3HB SER 128 1.885 0.651 7.897 809 HG SER 128 HG SER 128 0.282 -0.667 9.122 810 H LYS 129 H LYS 129 3.648 -0.416 7.532 811 HA LYS 129 HA LYS 129 6.311 -0.591 7.909 812 HB2 LYS 129 2HB LYS 129 4.606 0.123 5.723 813 HB3 LYS 129 3HB LYS 129 6.028 1.158 5.692 814 HG2 LYS 129 2HG LYS 129 6.153 -1.842 5.874 815 HG3 LYS 129 3HG LYS 129 6.217 -0.942 4.356 816 HD2 LYS 129 2HD LYS 129 8.093 -0.125 6.503 817 HD3 LYS 129 3HD LYS 129 8.409 -1.662 5.694 818 HE2 LYS 129 2HE LYS 129 7.800 0.132 3.646 819 HE3 LYS 129 3HE LYS 129 8.827 1.037 4.756 820 HZ1 LYS 129 1HZ LYS 129 10.376 -0.918 4.666 821 HZ2 LYS 129 2HZ LYS 129 10.253 -0.026 3.234 822 HZ3 LYS 129 3HZ LYS 129 9.452 -1.509 3.378 823 H LEU 130 H LEU 130 4.397 2.325 8.153 824 HA LEU 130 HA LEU 130 6.834 3.821 8.865 825 HB2 LEU 130 2HB LEU 130 5.346 5.847 8.364 826 HB3 LEU 130 3HB LEU 130 5.982 4.918 7.008 827 HG LEU 130 HG LEU 130 3.278 4.196 7.988 828 HD11 LEU 130 1HD1 LEU 130 2.194 6.065 7.373 829 HD12 LEU 130 2HD1 LEU 130 3.312 6.408 6.053 830 HD13 LEU 130 3HD1 LEU 130 3.741 6.845 7.707 831 HD21 LEU 130 1HD2 LEU 130 4.928 3.779 5.693 832 HD22 LEU 130 2HD2 LEU 130 3.431 4.571 5.199 833 HD23 LEU 130 3HD2 LEU 130 3.372 3.050 6.092 834 HA PRO 131 HA PRO 131 4.517 3.430 12.800 835 HB2 PRO 131 2HB PRO 131 6.747 3.445 14.349 836 HB3 PRO 131 3HB PRO 131 6.122 1.982 13.578 837 HG2 PRO 131 2HG PRO 131 8.353 3.778 12.707 838 HG3 PRO 131 3HG PRO 131 8.281 2.006 12.714 839 HD2 PRO 131 2HD PRO 131 7.889 3.471 10.470 840 HD3 PRO 131 3HD PRO 131 7.069 1.922 10.754 841 H CYS 132 H CYS 132 4.720 4.811 14.816 842 HA CYS 132 HA CYS 132 4.775 7.564 14.038 843 HB2 CYS 132 2HB CYS 132 3.986 6.013 16.422 844 HB3 CYS 132 3HB CYS 132 4.558 7.646 16.748 845 H ASN 133 H ASN 133 7.158 7.198 13.374 846 HA ASN 133 HA ASN 133 8.850 8.049 15.629 847 HB2 ASN 133 2HB ASN 133 10.754 6.899 14.481 848 HB3 ASN 133 3HB ASN 133 9.509 5.800 15.068 849 HD21 ASN 133 1HD2 ASN 133 11.205 4.874 13.228 850 HD22 ASN 133 2HD2 ASN 133 10.430 4.716 11.692 851 H ASP 134 H ASP 134 9.829 9.944 15.356 852 HA ASP 134 HA ASP 134 9.339 11.657 13.245 853 HB2 ASP 134 2HB ASP 134 11.523 11.587 15.313 854 HB3 ASP 134 3HB ASP 134 11.467 12.856 14.092 855 H GLU 135 H GLU 135 12.201 9.622 13.790 856 HA GLU 135 HA GLU 135 12.620 9.010 11.107 857 HB2 GLU 135 2HB GLU 135 13.615 11.622 11.887 858 HB3 GLU 135 3HB GLU 135 14.916 10.581 11.327 859 HG2 GLU 135 2HG GLU 135 12.548 10.502 9.628 860 HG3 GLU 135 3HG GLU 135 13.290 12.096 9.741 861 H HIS 136 H HIS 136 12.802 7.972 13.856 862 HA HIS 136 HA HIS 136 15.588 7.011 13.809 863 HB2 HIS 136 2HB HIS 136 13.996 6.688 16.287 864 HB3 HIS 136 3HB HIS 136 15.699 7.089 16.085 865 HD1 HIS 136 HD1 HIS 136 15.310 9.673 14.378 866 HD2 HIS 136 HD2 HIS 136 13.254 8.789 17.878 867 HE1 HIS 136 HE1 HIS 136 14.553 11.891 15.291 868 HA PRO 137 HA PRO 137 14.270 2.858 13.317 869 HB2 PRO 137 2HB PRO 137 15.833 1.489 15.065 870 HB3 PRO 137 3HB PRO 137 16.459 2.209 13.577 871 HG2 PRO 137 2HG PRO 137 16.573 3.254 16.380 872 HG3 PRO 137 3HG PRO 137 17.839 3.241 15.138 873 HD2 PRO 137 2HD PRO 137 16.371 5.446 15.700 874 HD3 PRO 137 3HD PRO 137 16.986 5.099 14.072 875 H CYS 138 H CYS 138 12.387 2.020 13.933 876 HA CYS 138 HA CYS 138 11.590 2.179 16.744 877 HB2 CYS 138 2HB CYS 138 9.981 3.065 15.166 878 HB3 CYS 138 3HB CYS 138 10.005 1.568 14.243 879 HG CYS 138 HG CYS 138 8.014 0.527 15.466 880 H TYR 139 H TYR 139 12.329 0.488 17.876 881 HA TYR 139 HA TYR 139 11.251 -2.032 17.729 882 HB2 TYR 139 2HB TYR 139 12.833 -1.813 15.545 883 HB3 TYR 139 3HB TYR 139 13.997 -2.443 16.706 884 HD1 TYR 139 HD1 TYR 139 10.427 -3.117 15.798 885 HD2 TYR 139 HD2 TYR 139 14.276 -4.723 16.639 886 HE1 TYR 139 HE1 TYR 139 9.553 -5.387 15.434 887 HE2 TYR 139 HE2 TYR 139 13.413 -6.997 16.275 888 HH TYR 139 HH TYR 139 10.267 -7.580 14.951 889 H ARG 140 H ARG 140 13.291 -3.700 18.548 890 HA ARG 140 HA ARG 140 13.757 -2.722 21.200 891 HB2 ARG 140 2HB ARG 140 13.235 -5.081 20.785 892 HB3 ARG 140 3HB ARG 140 14.712 -5.251 19.846 893 HG2 ARG 140 2HG ARG 140 15.583 -6.002 21.761 894 HG3 ARG 140 3HG ARG 140 15.685 -4.294 22.192 895 HD2 ARG 140 2HD ARG 140 13.844 -4.395 23.574 896 HD3 ARG 140 3HD ARG 140 13.161 -5.787 22.734 897 HE ARG 140 HE ARG 140 14.929 -5.837 24.964 898 HH11 ARG 140 1HH1 ARG 140 14.065 -7.541 22.053 899 HH12 ARG 140 2HH1 ARG 140 14.605 -9.080 22.638 900 HH21 ARG 140 1HH2 ARG 140 15.643 -7.858 25.745 901 HH22 ARG 140 2HH2 ARG 140 15.501 -9.259 24.738 902 H LYS 141 H LYS 141 16.330 -4.564 19.853 903 HA LYS 141 HA LYS 141 18.189 -2.398 20.427 904 HB2 LYS 141 2HB LYS 141 18.562 -4.747 21.244 905 HB3 LYS 141 3HB LYS 141 18.811 -5.228 19.571 906 HG2 LYS 141 2HG LYS 141 20.952 -4.722 19.796 907 HG3 LYS 141 3HG LYS 141 20.496 -3.029 20.001 908 HD2 LYS 141 2HD LYS 141 20.801 -3.082 22.242 909 HD3 LYS 141 3HD LYS 141 20.205 -4.738 22.388 910 HE2 LYS 141 2HE LYS 141 22.890 -4.022 21.223 911 HE3 LYS 141 3HE LYS 141 22.639 -4.423 22.922 912 HZ1 LYS 141 1HZ LYS 141 23.239 -6.434 22.012 913 HZ2 LYS 141 2HZ LYS 141 22.420 -6.162 20.557 914 HZ3 LYS 141 3HZ LYS 141 21.551 -6.539 21.959 915 H GLU 142 H GLU 142 16.371 -2.652 17.967 916 HA GLU 142 HA GLU 142 17.891 -1.292 16.136 917 HB2 GLU 142 2HB GLU 142 18.226 -3.196 14.419 918 HB3 GLU 142 3HB GLU 142 19.389 -3.027 15.726 919 HG2 GLU 142 2HG GLU 142 18.671 -4.923 16.799 920 HG3 GLU 142 3HG GLU 142 17.061 -4.846 16.087 921 H GLY 143 H GLY 143 16.331 -0.279 15.071 922 HA2 GLY 143 2HA GLY 143 14.051 -1.872 14.085 923 HA3 GLY 143 3HA GLY 143 13.794 -0.332 14.893 924 H GLY 144 H GLY 144 12.640 0.012 12.767 925 HA2 GLY 144 2HA GLY 144 14.494 0.720 10.599 926 HA3 GLY 144 3HA GLY 144 12.756 0.514 10.436 927 H VAL 145 H VAL 145 14.986 2.757 10.133 928 HA VAL 145 HA VAL 145 13.886 4.898 11.709 929 HB VAL 145 HB VAL 145 15.403 6.343 10.326 930 HG11 VAL 145 1HG1 VAL 145 16.527 5.856 12.216 931 HG12 VAL 145 2HG1 VAL 145 16.212 4.125 12.083 932 HG13 VAL 145 3HG1 VAL 145 17.510 4.862 11.142 933 HG21 VAL 145 1HG2 VAL 145 15.412 4.050 8.660 934 HG22 VAL 145 2HG2 VAL 145 16.230 5.592 8.406 935 HG23 VAL 145 3HG2 VAL 145 17.054 4.287 9.259 936 H VAL 146 H VAL 146 12.017 5.836 11.238 937 HA VAL 146 HA VAL 146 11.407 6.442 8.430 938 HB VAL 146 HB VAL 146 9.293 5.487 10.355 939 HG11 VAL 146 1HG1 VAL 146 8.134 6.603 8.741 940 HG12 VAL 146 2HG1 VAL 146 9.369 6.332 7.509 941 HG13 VAL 146 3HG1 VAL 146 8.264 5.030 7.955 942 HG21 VAL 146 1HG2 VAL 146 10.954 3.937 8.392 943 HG22 VAL 146 2HG2 VAL 146 10.624 3.576 10.087 944 HG23 VAL 146 3HG2 VAL 146 9.348 3.396 8.882 945 H SER 147 H SER 147 10.000 8.242 8.117 946 HA SER 147 HA SER 147 10.260 10.223 10.232 947 HB2 SER 147 2HB SER 147 9.973 10.269 7.317 948 HB3 SER 147 3HB SER 147 8.986 11.482 8.133 949 HG SER 147 HG SER 147 10.869 12.227 9.166 950 H CYS 148 H CYS 148 8.714 10.275 11.722 951 HA CYS 148 HA CYS 148 6.032 10.861 11.085 952 HB2 CYS 148 2HB CYS 148 6.706 8.047 11.247 953 HB3 CYS 148 3HB CYS 148 5.527 8.485 12.477 954 HG CYS 148 HG CYS 148 3.608 9.395 10.739 955 H ASP 149 H ASP 149 6.068 12.433 12.602 956 HA ASP 149 HA ASP 149 6.904 11.782 15.325 957 HB2 ASP 149 2HB ASP 149 6.655 14.240 15.712 958 HB3 ASP 149 3HB ASP 149 7.815 13.834 14.450 959 H CYS 150 H CYS 150 5.254 10.611 16.212 960 HA CYS 150 HA CYS 150 2.830 12.095 16.830 961 HB2 CYS 150 2HB CYS 150 1.379 10.854 15.647 962 HB3 CYS 150 3HB CYS 150 2.778 10.292 14.739 963 H LYS 151 H LYS 151 1.518 10.982 18.503 964 HA LYS 151 HA LYS 151 1.252 9.791 20.438 965 HB2 LYS 151 2HB LYS 151 2.819 8.102 18.950 966 HB3 LYS 151 3HB LYS 151 3.816 8.360 20.375 967 HG2 LYS 151 2HG LYS 151 1.106 7.865 21.163 968 HG3 LYS 151 3HG LYS 151 1.666 6.591 20.077 969 HD2 LYS 151 2HD LYS 151 2.805 5.681 21.754 970 HD3 LYS 151 3HD LYS 151 3.770 7.153 21.887 971 HE2 LYS 151 2HE LYS 151 2.301 8.082 23.490 972 HE3 LYS 151 3HE LYS 151 1.065 6.867 23.170 973 HZ1 LYS 151 1HZ LYS 151 3.500 6.665 24.771 974 HZ2 LYS 151 2HZ LYS 151 3.010 5.282 23.930 975 HZ3 LYS 151 3HZ LYS 151 1.966 6.005 25.047 976 H THR 152 H THR 152 3.434 8.940 22.175 977 HA THR 152 HA THR 152 3.916 11.432 23.479 978 HB THR 152 HB THR 152 5.341 10.027 25.033 979 HG1 THR 152 HG1 THR 152 4.291 7.897 23.454 980 HG21 THR 152 1HG2 THR 152 3.418 9.922 26.153 981 HG22 THR 152 2HG2 THR 152 2.985 8.475 25.242 982 HG23 THR 152 3HG2 THR 152 2.510 10.067 24.649 983 H ILE 153 H ILE 153 5.022 11.409 20.863 984 HA ILE 153 HA ILE 153 7.631 10.826 20.467 985 HB ILE 153 HB ILE 153 7.791 13.102 19.263 986 HG12 ILE 153 2HG1 ILE 153 4.836 13.076 19.913 987 HG13 ILE 153 3HG1 ILE 153 6.010 14.187 20.610 988 HG21 ILE 153 1HG2 ILE 153 7.060 12.029 17.433 989 HG22 ILE 153 2HG2 ILE 153 6.825 10.669 18.530 990 HG23 ILE 153 3HG2 ILE 153 5.469 11.722 18.128 991 HD11 ILE 153 1HD1 ILE 153 6.490 15.000 18.305 992 HD12 ILE 153 2HD1 ILE 153 5.148 14.005 17.738 993 HD13 ILE 153 3HD1 ILE 153 4.852 15.322 18.874 994 H THR 154 H THR 154 9.584 11.429 21.205 995 HA THR 154 HA THR 154 9.766 13.762 22.981 996 HB THR 154 HB THR 154 11.056 12.589 24.620 997 HG1 THR 154 HG1 THR 154 11.880 11.073 22.833 998 HG21 THR 154 1HG2 THR 154 8.987 10.516 24.258 999 HG22 THR 154 2HG2 THR 154 8.408 12.182 24.285 1000 HG23 THR 154 3HG2 THR 154 9.330 11.547 25.647 1001 H CYS 155 H CYS 155 11.366 15.069 22.401 1002 HA CYS 155 HA CYS 155 13.858 13.998 21.367 1003 HB2 CYS 155 2HB CYS 155 12.385 16.077 19.750 1004 HB3 CYS 155 3HB CYS 155 13.844 15.197 19.308 1005 H ASN 156 H ASN 156 15.410 15.892 20.889 1006 HA ASN 156 HA ASN 156 15.772 17.362 23.233 1007 HB2 ASN 156 2HB ASN 156 17.308 16.822 21.048 1008 HB3 ASN 156 3HB ASN 156 16.961 18.531 20.801 1009 HD21 ASN 156 1HD2 ASN 156 18.989 19.273 21.217 1010 HD22 ASN 156 2HD2 ASN 156 19.736 19.190 22.773 1011 H GLU 157 H GLU 157 15.695 19.651 23.600 1012 HA GLU 157 HA GLU 157 13.277 20.855 23.120 1013 HB2 GLU 157 2HB GLU 157 15.471 21.515 24.569 1014 HB3 GLU 157 3HB GLU 157 15.563 22.718 23.291 1015 HG2 GLU 157 2HG GLU 157 14.369 23.620 25.169 1016 HG3 GLU 157 3HG GLU 157 13.266 23.418 23.809 1017 H ASP 158 H ASP 158 16.113 20.812 21.089 1018 HA ASP 158 HA ASP 158 15.357 22.919 19.349 1019 HB2 ASP 158 2HB ASP 158 17.112 20.548 18.689 1020 HB3 ASP 158 3HB ASP 158 17.100 22.116 17.887 1021 H HIS 159 H HIS 159 13.750 20.173 19.938 1022 HA HIS 159 HA HIS 159 12.485 20.208 17.304 1023 HB2 HIS 159 2HB HIS 159 12.857 17.519 18.508 1024 HB3 HIS 159 3HB HIS 159 12.790 17.995 16.814 1025 HD1 HIS 159 HD1 HIS 159 15.136 17.280 19.562 1026 HD2 HIS 159 HD2 HIS 159 15.276 18.986 15.777 1027 HE1 HIS 159 HE1 HIS 159 17.574 17.357 18.949 1028 HA PRO 160 HA PRO 160 8.929 20.315 19.945 1029 HB2 PRO 160 2HB PRO 160 7.063 20.107 17.984 1030 HB3 PRO 160 3HB PRO 160 7.954 21.598 18.307 1031 HG2 PRO 160 2HG PRO 160 8.437 19.520 16.207 1032 HG3 PRO 160 3HG PRO 160 8.484 21.287 16.065 1033 HD2 PRO 160 2HD PRO 160 10.725 19.784 16.299 1034 HD3 PRO 160 3HD PRO 160 10.604 21.429 16.958 1035 H CYS 161 H CYS 161 9.717 18.106 20.690 1036 HA CYS 161 HA CYS 161 7.920 16.002 19.675 1037 HB2 CYS 161 2HB CYS 161 10.728 15.872 20.735 1038 HB3 CYS 161 3HB CYS 161 9.680 14.460 20.806 1039 H TYR 162 H TYR 162 9.653 15.164 22.441 1040 HA TYR 162 HA TYR 162 7.848 14.339 24.119 1041 HB2 TYR 162 2HB TYR 162 10.086 14.482 24.917 1042 HB3 TYR 162 3HB TYR 162 10.080 16.240 24.833 1043 HD1 TYR 162 HD1 TYR 162 7.836 13.684 26.400 1044 HD2 TYR 162 HD2 TYR 162 10.181 17.196 26.923 1045 HE1 TYR 162 HE1 TYR 162 7.145 13.787 28.758 1046 HE2 TYR 162 HE2 TYR 162 9.498 17.308 29.283 1047 HH TYR 162 HH TYR 162 8.246 14.855 30.954 1048 H HIS 163 H HIS 163 5.792 15.185 23.797 1049 HA HIS 163 HA HIS 163 5.328 17.963 24.605 1050 HB2 HIS 163 2HB HIS 163 4.168 16.253 22.641 1051 HB3 HIS 163 3HB HIS 163 2.913 16.677 23.802 1052 HD1 HIS 163 HD1 HIS 163 5.601 18.538 21.839 1053 HD2 HIS 163 HD2 HIS 163 1.684 18.987 23.152 1054 HE1 HIS 163 HE1 HIS 163 4.834 20.751 20.924 1055 H SER 164 H SER 164 3.581 14.883 25.053 1056 HA SER 164 HA SER 164 3.539 15.225 27.916 1057 HB2 SER 164 2HB SER 164 1.258 15.616 28.241 1058 HB3 SER 164 3HB SER 164 1.633 16.660 26.870 1059 HG SER 164 HG SER 164 0.241 15.566 25.760 1060 H TYR 165 H TYR 165 1.435 13.533 28.528 1061 HA TYR 165 HA TYR 165 2.366 11.003 27.344 1062 HB2 TYR 165 2HB TYR 165 1.014 11.318 30.023 1063 HB3 TYR 165 3HB TYR 165 1.893 9.920 29.415 1064 HD1 TYR 165 HD1 TYR 165 4.331 11.224 28.342 1065 HD2 TYR 165 HD2 TYR 165 2.189 11.916 31.953 1066 HE1 TYR 165 HE1 TYR 165 6.391 12.056 29.398 1067 HE2 TYR 165 HE2 TYR 165 4.242 12.751 33.018 1068 HH TYR 165 HH TYR 165 6.389 13.699 32.388 1069 H GLU 166 H GLU 166 0.980 10.132 25.965 1070 HA GLU 166 HA GLU 166 -1.709 9.574 26.634 1071 HB2 GLU 166 2HB GLU 166 -1.366 12.158 25.682 1072 HB3 GLU 166 3HB GLU 166 -1.887 11.258 24.264 1073 HG2 GLU 166 2HG GLU 166 -3.900 11.910 25.107 1074 HG3 GLU 166 3HG GLU 166 -3.718 10.344 25.894 1075 H GLU 167 H GLU 167 -2.935 8.881 24.497 1076 HA GLU 167 HA GLU 167 -0.999 7.411 22.830 1077 HB2 GLU 167 2HB GLU 167 -3.237 5.892 22.640 1078 HB3 GLU 167 3HB GLU 167 -1.942 5.599 23.792 1079 HG2 GLU 167 2HG GLU 167 -4.195 7.409 24.527 1080 HG3 GLU 167 3HG GLU 167 -4.412 5.661 24.589 1081 H ASP 168 H ASP 168 -1.069 9.174 21.327 1082 HA ASP 168 HA ASP 168 -3.172 8.853 19.377 1083 HB2 ASP 168 2HB ASP 168 -2.692 11.638 20.430 1084 HB3 ASP 168 3HB ASP 168 -3.967 11.088 19.345 1085 H GLY 169 H GLY 169 -2.575 11.334 18.018 1086 HA2 GLY 169 2HA GLY 169 0.200 10.757 17.176 1087 HA3 GLY 169 3HA GLY 169 -1.080 11.182 16.050 1088 H VAL 170 H VAL 170 1.219 12.600 15.961 1089 HA VAL 170 HA VAL 170 0.366 15.211 17.007 1090 HB VAL 170 HB VAL 170 3.262 14.377 16.934 1091 HG11 VAL 170 1HG1 VAL 170 3.401 16.627 17.050 1092 HG12 VAL 170 2HG1 VAL 170 1.762 16.804 17.681 1093 HG13 VAL 170 3HG1 VAL 170 3.079 16.345 18.761 1094 HG21 VAL 170 1HG2 VAL 170 1.206 14.002 19.054 1095 HG22 VAL 170 2HG2 VAL 170 2.560 12.968 18.601 1096 HG23 VAL 170 3HG2 VAL 170 2.846 14.436 19.535 1097 H THR 171 H THR 171 1.199 17.038 15.816 1098 HA THR 171 HA THR 171 1.628 16.375 12.990 1099 HB THR 171 HB THR 171 1.231 19.138 13.195 1100 HG1 THR 171 HG1 THR 171 0.450 18.854 15.321 1101 HG21 THR 171 1HG2 THR 171 -1.069 18.507 12.274 1102 HG22 THR 171 2HG2 THR 171 -0.538 16.831 12.422 1103 HG23 THR 171 3HG2 THR 171 0.338 17.945 11.373 1104 H LYS 172 H LYS 172 3.163 17.587 11.744 1105 HA LYS 172 HA LYS 172 5.581 18.153 13.254 1106 HB2 LYS 172 2HB LYS 172 5.050 17.030 10.745 1107 HB3 LYS 172 3HB LYS 172 5.800 18.583 10.398 1108 HG2 LYS 172 2HG LYS 172 7.182 17.133 12.498 1109 HG3 LYS 172 3HG LYS 172 7.106 16.231 10.982 1110 HD2 LYS 172 2HD LYS 172 7.787 19.076 10.699 1111 HD3 LYS 172 3HD LYS 172 8.980 18.110 11.571 1112 HE2 LYS 172 2HE LYS 172 7.845 17.388 8.873 1113 HE3 LYS 172 3HE LYS 172 9.370 18.239 9.114 1114 HZ1 LYS 172 1HZ LYS 172 9.330 15.925 10.715 1115 HZ2 LYS 172 2HZ LYS 172 10.378 16.312 9.445 1116 HZ3 LYS 172 3HZ LYS 172 8.932 15.494 9.128 1117 H SER 173 H SER 173 5.261 20.133 14.217 1118 HA SER 173 HA SER 173 4.810 22.413 12.406 1119 HB2 SER 173 2HB SER 173 3.087 22.169 14.153 1120 HB3 SER 173 3HB SER 173 4.338 22.251 15.394 1121 HG SER 173 HG SER 173 3.905 24.314 15.293 1122 H ASP 174 H ASP 174 7.348 21.278 12.571 1123 HA ASP 174 HA ASP 174 9.114 22.268 14.440 1124 HB2 ASP 174 2HB ASP 174 9.419 21.657 11.512 1125 HB3 ASP 174 3HB ASP 174 10.775 22.275 12.451 1126 H CYS 175 H CYS 175 8.110 23.824 11.400 1127 HA CYS 175 HA CYS 175 8.029 26.412 12.437 1128 HB2 CYS 175 2HB CYS 175 10.685 25.511 11.921 1129 HB3 CYS 175 3HB CYS 175 10.285 26.742 10.729 1130 HG CYS 175 HG CYS 175 9.240 27.934 13.533 1131 H ASP 176 H ASP 176 8.095 28.100 10.605 1132 HA ASP 176 HA ASP 176 6.629 26.953 8.348 1133 HB2 ASP 176 2HB ASP 176 6.802 29.710 9.534 1134 HB3 ASP 176 3HB ASP 176 6.161 29.465 7.912 1135 H CYS 177 H CYS 177 9.553 26.795 8.572 1136 HA CYS 177 HA CYS 177 10.255 28.297 6.137 1137 HB2 CYS 177 2HB CYS 177 11.406 28.714 8.559 1138 HB3 CYS 177 3HB CYS 177 12.463 27.464 7.915 1139 HG CYS 177 HG CYS 177 13.624 28.884 6.035 1140 H GLU 178 H GLU 178 12.345 27.244 5.139 1141 HA GLU 178 HA GLU 178 11.641 24.462 4.645 1142 HB2 GLU 178 2HB GLU 178 13.775 26.092 3.269 1143 HB3 GLU 178 3HB GLU 178 13.028 24.606 2.699 1144 HG2 GLU 178 2HG GLU 178 10.883 25.793 2.490 1145 HG3 GLU 178 3HG GLU 178 11.683 27.282 2.989 1146 H HIS 179 H HIS 179 12.386 23.469 6.539 1147 HA HIS 179 HA HIS 179 15.319 23.406 6.827 1148 HB2 HIS 179 2HB HIS 179 14.676 22.582 9.225 1149 HB3 HIS 179 3HB HIS 179 14.633 24.303 8.853 1150 HD1 HIS 179 HD1 HIS 179 12.196 25.306 8.365 1151 HD2 HIS 179 HD2 HIS 179 12.304 21.524 10.080 1152 HE1 HIS 179 HE1 HIS 179 9.887 24.917 9.281 1153 H SER 180 H SER 180 16.123 21.326 7.809 1154 HA SER 180 HA SER 180 14.677 18.946 7.782 1155 HB2 SER 180 2HB SER 180 15.716 17.994 5.616 1156 HB3 SER 180 3HB SER 180 14.315 19.054 5.462 1157 HG SER 180 HG SER 180 17.042 19.710 5.054 1158 HA PRO 181 HA PRO 181 19.073 18.965 9.364 1159 HB2 PRO 181 2HB PRO 181 18.425 18.344 11.926 1160 HB3 PRO 181 3HB PRO 181 18.491 20.006 11.327 1161 HG2 PRO 181 2HG PRO 181 16.116 18.227 11.719 1162 HG3 PRO 181 3HG PRO 181 16.304 19.945 12.114 1163 HD2 PRO 181 2HD PRO 181 15.011 19.095 9.892 1164 HD3 PRO 181 3HD PRO 181 15.925 20.616 9.942 1165 H GLY 182 H GLY 182 19.853 17.111 11.083 1166 HA2 GLY 182 2HA GLY 182 19.885 14.725 9.694 1167 HA3 GLY 182 3HA GLY 182 20.227 14.868 11.412 1168 HA PRO 183 HA PRO 183 16.151 12.560 10.448 1169 HB2 PRO 183 2HB PRO 183 17.031 10.003 10.688 1170 HB3 PRO 183 3HB PRO 183 16.996 10.866 9.146 1171 HG2 PRO 183 2HG PRO 183 19.295 10.405 11.006 1172 HG3 PRO 183 3HG PRO 183 19.247 10.291 9.237 1173 HD2 PRO 183 2HD PRO 183 20.247 12.449 10.531 1174 HD3 PRO 183 3HD PRO 183 19.431 12.572 8.960 1175 H SER 184 H SER 184 18.723 11.243 12.551 1176 HA SER 184 HA SER 184 16.761 10.938 14.699 1177 HB2 SER 184 2HB SER 184 17.886 9.011 14.969 1178 HB3 SER 184 3HB SER 184 19.191 9.549 13.912 1179 HG SER 184 HG SER 184 20.150 9.368 15.848 1180 H GLU 185 H GLU 185 16.524 12.589 16.044 1181 HA GLU 185 HA GLU 185 18.777 13.749 17.379 1182 HB2 GLU 185 2HB GLU 185 18.020 16.127 16.688 1183 HB3 GLU 185 3HB GLU 185 19.039 15.209 15.587 1184 HG2 GLU 185 2HG GLU 185 17.317 14.826 14.098 1185 HG3 GLU 185 3HG GLU 185 16.069 15.103 15.312 Start of MODEL 6 1 H1 MET 1 H MET 1 3.545 -2.995 3.598 2 HA MET 1 HA MET 1 4.498 -3.935 1.761 3 HB2 MET 1 2HB MET 1 3.875 -1.341 1.019 4 HB3 MET 1 3HB MET 1 5.563 -1.501 0.553 5 HG2 MET 1 2HG MET 1 4.700 -3.771 -0.475 6 HG3 MET 1 3HG MET 1 3.165 -2.906 -0.480 7 HE1 MET 1 1HE MET 1 3.693 0.100 -1.345 8 HE2 MET 1 2HE MET 1 3.481 -0.219 -3.066 9 HE3 MET 1 3HE MET 1 2.507 -1.090 -1.881 10 H ALA 2 H ALA 2 6.730 -3.466 0.297 11 HA ALA 2 HA ALA 2 8.852 -3.544 2.336 12 HB1 ALA 2 1HB ALA 2 8.870 -4.776 -0.416 13 HB2 ALA 2 2HB ALA 2 10.103 -4.962 0.832 14 HB3 ALA 2 3HB ALA 2 8.491 -5.634 1.077 15 H HIS 3 H HIS 3 10.763 -2.418 2.029 16 HA HIS 3 HA HIS 3 10.641 -0.312 -0.021 17 HB2 HIS 3 2HB HIS 3 10.729 0.249 2.495 18 HB3 HIS 3 3HB HIS 3 12.415 -0.251 2.410 19 HD1 HIS 3 HD1 HIS 3 10.318 1.972 0.131 20 HD2 HIS 3 HD2 HIS 3 13.884 2.004 2.262 21 HE1 HIS 3 HE1 HIS 3 11.386 4.191 -0.379 22 H GLU 4 H GLU 4 11.715 -1.056 -1.763 23 HA GLU 4 HA GLU 4 14.561 -1.496 -1.507 24 HB2 GLU 4 2HB GLU 4 14.554 -3.648 -2.683 25 HB3 GLU 4 3HB GLU 4 13.706 -3.753 -1.146 26 HG2 GLU 4 2HG GLU 4 12.110 -3.172 -3.578 27 HG3 GLU 4 3HG GLU 4 12.733 -4.806 -3.360 28 H GLU 5 H GLU 5 15.684 -1.349 -3.509 29 HA GLU 5 HA GLU 5 14.179 0.144 -5.521 30 HB2 GLU 5 2HB GLU 5 17.167 -0.261 -5.384 31 HB3 GLU 5 3HB GLU 5 16.292 0.948 -6.314 32 HG2 GLU 5 2HG GLU 5 16.815 2.299 -4.615 33 HG3 GLU 5 3HG GLU 5 15.447 1.530 -3.813 34 H ASP 6 H ASP 6 13.607 -0.717 -7.401 35 HA ASP 6 HA ASP 6 13.312 -2.252 -9.061 36 HB2 ASP 6 2HB ASP 6 16.289 -2.702 -8.837 37 HB3 ASP 6 3HB ASP 6 15.276 -2.876 -10.268 38 H GLY 7 H GLY 7 12.608 -3.335 -6.700 39 HA2 GLY 7 2HA GLY 7 13.777 -6.049 -6.776 40 HA3 GLY 7 3HA GLY 7 13.138 -5.305 -5.318 41 H VAL 8 H VAL 8 11.493 -6.628 -4.789 42 HA VAL 8 HA VAL 8 9.220 -6.709 -6.617 43 HB VAL 8 HB VAL 8 8.861 -9.132 -6.178 44 HG11 VAL 8 1HG1 VAL 8 10.504 -9.925 -7.802 45 HG12 VAL 8 2HG1 VAL 8 9.840 -8.362 -8.282 46 HG13 VAL 8 3HG1 VAL 8 11.451 -8.456 -7.570 47 HG21 VAL 8 1HG2 VAL 8 10.813 -10.467 -5.431 48 HG22 VAL 8 2HG2 VAL 8 11.648 -8.964 -5.034 49 HG23 VAL 8 3HG2 VAL 8 10.172 -9.407 -4.175 50 H CYS 9 H CYS 9 7.282 -7.745 -5.476 51 HA CYS 9 HA CYS 9 7.271 -6.838 -2.675 52 HB2 CYS 9 2HB CYS 9 4.834 -6.491 -2.976 53 HB3 CYS 9 3HB CYS 9 5.798 -5.505 -4.068 54 HG CYS 9 HG CYS 9 3.274 -6.993 -4.980 55 H ASN 10 H ASN 10 5.423 -7.941 -1.394 56 HA ASN 10 HA ASN 10 6.026 -10.510 -0.819 57 HB2 ASN 10 2HB ASN 10 3.854 -10.732 0.233 58 HB3 ASN 10 3HB ASN 10 4.443 -9.089 0.471 59 HD21 ASN 10 1HD2 ASN 10 3.692 -7.501 -1.204 60 HD22 ASN 10 2HD2 ASN 10 2.044 -7.622 -1.710 61 H SER 11 H SER 11 3.605 -9.474 -3.200 62 HA SER 11 HA SER 11 2.941 -12.148 -3.976 63 HB2 SER 11 2HB SER 11 1.362 -10.237 -4.194 64 HB3 SER 11 3HB SER 11 2.399 -9.558 -5.448 65 HG SER 11 HG SER 11 0.473 -11.293 -5.771 66 H ASN 12 H ASN 12 5.309 -12.695 -4.243 67 HA ASN 12 HA ASN 12 5.911 -13.159 -6.907 68 HB2 ASN 12 2HB ASN 12 6.561 -10.494 -6.133 69 HB3 ASN 12 3HB ASN 12 8.069 -11.371 -6.371 70 HD21 ASN 12 1HD2 ASN 12 8.498 -12.295 -8.409 71 HD22 ASN 12 2HD2 ASN 12 7.710 -11.716 -9.833 72 H ALA 13 H ALA 13 6.950 -12.787 -3.624 73 HA ALA 13 HA ALA 13 8.277 -15.259 -3.557 74 HB1 ALA 13 1HB ALA 13 10.232 -14.717 -4.494 75 HB2 ALA 13 2HB ALA 13 9.913 -12.986 -4.375 76 HB3 ALA 13 3HB ALA 13 10.563 -13.860 -2.988 77 HA PRO 14 HA PRO 14 9.138 -12.912 0.573 78 HB2 PRO 14 2HB PRO 14 8.505 -10.274 0.673 79 HB3 PRO 14 3HB PRO 14 10.091 -10.862 0.160 80 HG2 PRO 14 2HG PRO 14 7.769 -9.974 -1.509 81 HG3 PRO 14 3HG PRO 14 9.495 -9.618 -1.712 82 HD2 PRO 14 2HD PRO 14 8.215 -11.511 -3.166 83 HD3 PRO 14 3HD PRO 14 9.925 -11.652 -2.708 84 H CYS 15 H CYS 15 7.671 -11.512 2.209 85 HA CYS 15 HA CYS 15 4.881 -12.278 1.652 86 HB2 CYS 15 2HB CYS 15 5.900 -13.669 3.402 87 HB3 CYS 15 3HB CYS 15 6.310 -12.223 4.318 88 HG CYS 15 HG CYS 15 4.227 -12.912 5.766 89 H TYR 16 H TYR 16 3.241 -10.878 2.265 90 HA TYR 16 HA TYR 16 3.834 -8.124 2.156 91 HB2 TYR 16 2HB TYR 16 1.526 -9.741 2.007 92 HB3 TYR 16 3HB TYR 16 1.239 -8.591 3.308 93 HD1 TYR 16 HD1 TYR 16 3.009 -6.379 2.023 94 HD2 TYR 16 HD2 TYR 16 -0.147 -8.818 0.541 95 HE1 TYR 16 HE1 TYR 16 2.452 -4.644 0.370 96 HE2 TYR 16 HE2 TYR 16 -0.711 -7.091 -1.116 97 HH TYR 16 HH TYR 16 -0.407 -4.567 -1.320 98 H HIS 17 H HIS 17 2.955 -6.548 3.827 99 HA HIS 17 HA HIS 17 4.370 -6.905 6.247 100 HB2 HIS 17 2HB HIS 17 4.078 -4.691 6.413 101 HB3 HIS 17 3HB HIS 17 3.182 -4.766 4.898 102 HD1 HIS 17 HD1 HIS 17 2.683 -4.569 8.611 103 HD2 HIS 17 HD2 HIS 17 0.433 -4.426 5.122 104 HE1 HIS 17 HE1 HIS 17 0.397 -3.793 9.317 105 H CYS 18 H CYS 18 2.939 -6.115 8.334 106 HA CYS 18 HA CYS 18 0.383 -7.158 8.703 107 HB2 CYS 18 2HB CYS 18 2.145 -9.236 8.374 108 HB3 CYS 18 3HB CYS 18 2.105 -9.065 10.125 109 HG CYS 18 HG CYS 18 -0.606 -9.486 10.387 110 H ASP 19 H ASP 19 -0.092 -5.597 10.126 111 HA ASP 19 HA ASP 19 0.466 -4.016 11.808 112 HB2 ASP 19 2HB ASP 19 -0.009 -6.628 13.258 113 HB3 ASP 19 3HB ASP 19 -0.301 -5.011 13.891 114 H ALA 20 H ALA 20 1.395 -5.832 14.316 115 HA ALA 20 HA ALA 20 3.830 -4.675 14.767 116 HB1 ALA 20 1HB ALA 20 2.378 -6.943 15.834 117 HB2 ALA 20 2HB ALA 20 4.124 -7.185 15.899 118 HB3 ALA 20 3HB ALA 20 3.402 -5.767 16.659 119 H ASN 21 H ASN 21 3.366 -7.949 13.417 120 HA ASN 21 HA ASN 21 5.998 -8.567 12.892 121 HB2 ASN 21 2HB ASN 21 4.369 -9.510 10.717 122 HB3 ASN 21 3HB ASN 21 5.060 -10.419 12.058 123 HD21 ASN 21 1HD2 ASN 21 2.634 -7.847 12.030 124 HD22 ASN 21 2HD2 ASN 21 1.380 -8.783 12.763 125 H GLY 22 H GLY 22 3.812 -6.517 11.067 126 HA2 GLY 22 2HA GLY 22 5.182 -6.313 8.657 127 HA3 GLY 22 3HA GLY 22 4.201 -5.034 9.359 128 H GLU 23 H GLU 23 5.542 -4.230 11.529 129 HA GLU 23 HA GLU 23 7.741 -2.795 10.394 130 HB2 GLU 23 2HB GLU 23 6.991 -2.913 13.313 131 HB3 GLU 23 3HB GLU 23 7.856 -1.632 12.475 132 HG2 GLU 23 2HG GLU 23 5.859 -0.625 12.469 133 HG3 GLU 23 3HG GLU 23 5.554 -1.658 11.074 134 H ASN 24 H ASN 24 7.402 -5.731 12.143 135 HA ASN 24 HA ASN 24 9.982 -5.842 13.318 136 HB2 ASN 24 2HB ASN 24 7.974 -7.257 13.944 137 HB3 ASN 24 3HB ASN 24 8.294 -8.208 12.496 138 HD21 ASN 24 1HD2 ASN 24 8.635 -10.041 13.788 139 HD22 ASN 24 2HD2 ASN 24 10.104 -10.260 14.669 140 H CYS 25 H CYS 25 8.674 -6.880 10.214 141 HA CYS 25 HA CYS 25 11.314 -7.859 9.407 142 HB2 CYS 25 2HB CYS 25 8.648 -8.671 8.832 143 HB3 CYS 25 3HB CYS 25 9.378 -8.134 7.324 144 HG CYS 25 HG CYS 25 10.412 -10.673 9.355 145 H SER 26 H SER 26 8.825 -5.525 8.477 146 HA SER 26 HA SER 26 10.875 -3.973 7.086 147 HB2 SER 26 2HB SER 26 8.922 -3.557 5.325 148 HB3 SER 26 3HB SER 26 10.050 -4.902 5.151 149 HG SER 26 HG SER 26 8.345 -6.115 5.208 150 H CYS 27 H CYS 27 10.752 -1.878 7.571 151 HA CYS 27 HA CYS 27 8.753 -0.923 9.362 152 HB2 CYS 27 2HB CYS 27 9.922 1.276 9.072 153 HB3 CYS 27 3HB CYS 27 10.979 -0.045 9.557 154 HG CYS 27 HG CYS 27 12.420 -0.202 7.346 155 H ASN 28 H ASN 28 7.062 -1.641 7.647 156 HA ASN 28 HA ASN 28 5.881 0.735 6.609 157 HB2 ASN 28 2HB ASN 28 7.264 -1.145 4.736 158 HB3 ASN 28 3HB ASN 28 5.773 -0.367 4.215 159 HD21 ASN 28 1HD2 ASN 28 5.968 2.101 5.314 160 HD22 ASN 28 2HD2 ASN 28 7.320 2.945 4.648 161 H CYS 29 H CYS 29 4.059 0.178 7.728 162 HA CYS 29 HA CYS 29 2.817 -2.414 7.162 163 HB2 CYS 29 2HB CYS 29 2.376 -0.347 9.310 164 HB3 CYS 29 3HB CYS 29 1.231 -1.653 9.031 165 HG CYS 29 HG CYS 29 2.551 -3.545 10.210 166 H GLU 30 H GLU 30 1.512 -2.426 5.456 167 HA GLU 30 HA GLU 30 -0.674 -0.550 5.306 168 HB2 GLU 30 2HB GLU 30 1.463 0.381 4.064 169 HB3 GLU 30 3HB GLU 30 0.951 -0.734 2.805 170 HG2 GLU 30 2HG GLU 30 -1.382 0.532 3.373 171 HG3 GLU 30 3HG GLU 30 -0.207 1.816 3.653 172 H LEU 31 H LEU 31 -1.362 -2.884 5.804 173 HA LEU 31 HA LEU 31 -2.812 -3.893 3.661 174 HB2 LEU 31 2HB LEU 31 -0.267 -4.538 3.198 175 HB3 LEU 31 3HB LEU 31 -0.698 -5.888 4.246 176 HG LEU 31 HG LEU 31 -0.931 -5.951 1.577 177 HD11 LEU 31 1HD1 LEU 31 -1.465 -8.010 2.196 178 HD12 LEU 31 2HD1 LEU 31 -3.112 -7.465 2.513 179 HD13 LEU 31 3HD1 LEU 31 -1.912 -7.444 3.806 180 HD21 LEU 31 1HD2 LEU 31 -2.621 -4.088 1.692 181 HD22 LEU 31 2HD2 LEU 31 -3.706 -5.226 2.491 182 HD23 LEU 31 3HD2 LEU 31 -3.150 -5.543 0.847 183 H PHE 32 H PHE 32 -3.615 -6.219 4.152 184 HA PHE 32 HA PHE 32 -3.615 -6.794 7.017 185 HB2 PHE 32 2HB PHE 32 -5.948 -5.870 5.424 186 HB3 PHE 32 3HB PHE 32 -6.232 -7.174 6.573 187 HD1 PHE 32 HD1 PHE 32 -5.430 -3.647 6.160 188 HD2 PHE 32 HD2 PHE 32 -5.964 -6.804 8.965 189 HE1 PHE 32 HE1 PHE 32 -5.588 -1.999 7.980 190 HE2 PHE 32 HE2 PHE 32 -6.124 -5.160 10.789 191 HZ PHE 32 HZ PHE 32 -5.937 -2.754 10.298 192 H ASP 33 H ASP 33 -2.608 -8.736 6.759 193 HA ASP 33 HA ASP 33 -4.110 -10.782 5.269 194 HB2 ASP 33 2HB ASP 33 -1.870 -9.939 4.222 195 HB3 ASP 33 3HB ASP 33 -1.120 -10.917 5.481 196 H CYS 34 H CYS 34 -3.470 -13.036 5.978 197 HA CYS 34 HA CYS 34 -2.313 -13.409 8.553 198 HB2 CYS 34 2HB CYS 34 -4.286 -12.568 9.512 199 HB3 CYS 34 3HB CYS 34 -5.309 -13.337 8.303 200 H GLU 35 H GLU 35 -1.360 -15.316 8.374 201 HA GLU 35 HA GLU 35 -2.643 -17.729 7.868 202 HB2 GLU 35 2HB GLU 35 -1.958 -16.263 5.468 203 HB3 GLU 35 3HB GLU 35 -1.102 -17.797 5.531 204 HG2 GLU 35 2HG GLU 35 -2.996 -19.029 5.334 205 HG3 GLU 35 3HG GLU 35 -3.995 -17.830 6.154 206 H ALA 36 H ALA 36 -1.407 -18.828 9.247 207 HA ALA 36 HA ALA 36 1.469 -18.411 9.323 208 HB1 ALA 36 1HB ALA 36 -0.208 -18.763 11.329 209 HB2 ALA 36 2HB ALA 36 0.137 -20.464 11.011 210 HB3 ALA 36 3HB ALA 36 1.451 -19.355 11.402 211 H LYS 37 H LYS 37 2.783 -19.545 8.070 212 HA LYS 37 HA LYS 37 2.665 -22.374 7.877 213 HB2 LYS 37 2HB LYS 37 0.932 -21.192 6.138 214 HB3 LYS 37 3HB LYS 37 2.386 -21.286 5.152 215 HG2 LYS 37 2HG LYS 37 2.363 -23.564 5.081 216 HG3 LYS 37 3HG LYS 37 1.546 -23.715 6.639 217 HD2 LYS 37 2HD LYS 37 0.058 -22.456 4.393 218 HD3 LYS 37 3HD LYS 37 0.299 -24.204 4.352 219 HE2 LYS 37 2HE LYS 37 -0.493 -23.534 6.978 220 HE3 LYS 37 3HE LYS 37 -1.573 -22.677 5.879 221 HZ1 LYS 37 1HZ LYS 37 -1.060 -25.442 5.191 222 HZ2 LYS 37 2HZ LYS 37 -2.513 -24.577 5.189 223 HZ3 LYS 37 3HZ LYS 37 -1.912 -25.216 6.635 224 H LYS 38 H LYS 38 3.938 -22.447 5.237 225 HA LYS 38 HA LYS 38 6.389 -20.906 5.688 226 HB2 LYS 38 2HB LYS 38 6.798 -23.071 6.725 227 HB3 LYS 38 3HB LYS 38 6.284 -23.897 5.260 228 HG2 LYS 38 2HG LYS 38 8.443 -21.981 4.828 229 HG3 LYS 38 3HG LYS 38 8.862 -23.300 5.923 230 HD2 LYS 38 2HD LYS 38 7.598 -24.664 3.959 231 HD3 LYS 38 3HD LYS 38 8.302 -23.338 3.030 232 HE2 LYS 38 2HE LYS 38 10.431 -24.034 3.398 233 HE3 LYS 38 3HE LYS 38 10.064 -24.666 5.002 234 HZ1 LYS 38 1HZ LYS 38 9.319 -25.959 2.433 235 HZ2 LYS 38 2HZ LYS 38 9.002 -26.571 3.978 236 HZ3 LYS 38 3HZ LYS 38 10.598 -26.433 3.435 237 HA PRO 39 HA PRO 39 5.460 -20.356 1.326 238 HB2 PRO 39 2HB PRO 39 7.243 -18.340 0.965 239 HB3 PRO 39 3HB PRO 39 5.654 -18.097 1.699 240 HG2 PRO 39 2HG PRO 39 8.322 -18.411 3.019 241 HG3 PRO 39 3HG PRO 39 7.014 -17.274 3.395 242 HD2 PRO 39 2HD PRO 39 7.434 -19.536 4.823 243 HD3 PRO 39 3HD PRO 39 5.816 -18.848 4.577 244 H ASP 40 H ASP 40 8.809 -20.234 2.556 245 HA ASP 40 HA ASP 40 9.721 -22.446 1.117 246 HB2 ASP 40 2HB ASP 40 11.178 -21.136 -0.547 247 HB3 ASP 40 3HB ASP 40 9.470 -21.326 -0.935 248 H GLY 41 H GLY 41 10.010 -21.286 3.694 249 HA2 GLY 41 2HA GLY 41 12.916 -21.315 3.860 250 HA3 GLY 41 3HA GLY 41 12.133 -19.845 4.422 251 H SER 42 H SER 42 10.033 -20.571 5.827 252 HA SER 42 HA SER 42 10.549 -22.806 7.561 253 HB2 SER 42 2HB SER 42 11.591 -21.791 9.271 254 HB3 SER 42 3HB SER 42 11.829 -20.404 8.208 255 HG SER 42 HG SER 42 9.525 -20.819 9.813 256 H TYR 43 H TYR 43 8.931 -22.865 9.384 257 HA TYR 43 HA TYR 43 6.337 -22.145 8.313 258 HB2 TYR 43 2HB TYR 43 7.346 -24.221 9.958 259 HB3 TYR 43 3HB TYR 43 6.160 -23.338 10.913 260 HD1 TYR 43 HD1 TYR 43 6.621 -25.012 7.620 261 HD2 TYR 43 HD2 TYR 43 3.879 -23.739 10.614 262 HE1 TYR 43 HE1 TYR 43 4.809 -26.203 6.459 263 HE2 TYR 43 HE2 TYR 43 2.060 -24.928 9.462 264 HH TYR 43 HH TYR 43 1.463 -25.978 7.559 265 H ALA 44 H ALA 44 4.654 -21.326 9.892 266 HA ALA 44 HA ALA 44 3.916 -19.860 11.511 267 HB1 ALA 44 1HB ALA 44 6.681 -18.991 12.207 268 HB2 ALA 44 2HB ALA 44 5.260 -19.168 13.238 269 HB3 ALA 44 3HB ALA 44 6.136 -20.598 12.691 270 H HIS 45 H HIS 45 2.981 -18.186 10.549 271 HA HIS 45 HA HIS 45 4.694 -16.083 9.414 272 HB2 HIS 45 2HB HIS 45 2.704 -17.706 8.047 273 HB3 HIS 45 3HB HIS 45 2.344 -15.986 7.923 274 HD1 HIS 45 HD1 HIS 45 3.086 -15.388 5.630 275 HD2 HIS 45 HD2 HIS 45 5.909 -17.684 7.635 276 HE1 HIS 45 HE1 HIS 45 5.090 -15.465 4.113 277 HA PRO 46 HA PRO 46 2.319 -13.203 11.717 278 HB2 PRO 46 2HB PRO 46 2.233 -11.070 10.040 279 HB3 PRO 46 3HB PRO 46 3.700 -11.562 10.894 280 HG2 PRO 46 2HG PRO 46 2.880 -12.106 8.067 281 HG3 PRO 46 3HG PRO 46 4.466 -11.628 8.699 282 HD2 PRO 46 2HD PRO 46 3.868 -14.188 8.052 283 HD3 PRO 46 3HD PRO 46 4.987 -13.772 9.366 284 H CYS 47 H CYS 47 0.296 -12.088 11.860 285 HA CYS 47 HA CYS 47 -1.594 -12.251 9.693 286 HB2 CYS 47 2HB CYS 47 -2.218 -14.365 10.264 287 HB3 CYS 47 3HB CYS 47 -1.603 -14.215 11.907 288 H ARG 48 H ARG 48 -3.201 -10.769 9.896 289 HA ARG 48 HA ARG 48 -2.969 -8.582 11.507 290 HB2 ARG 48 2HB ARG 48 -5.482 -8.278 11.116 291 HB3 ARG 48 3HB ARG 48 -4.452 -8.401 9.695 292 HG2 ARG 48 2HG ARG 48 -5.231 -10.501 9.146 293 HG3 ARG 48 3HG ARG 48 -5.765 -10.846 10.792 294 HD2 ARG 48 2HD ARG 48 -7.372 -8.802 10.316 295 HD3 ARG 48 3HD ARG 48 -7.101 -9.284 8.641 296 HE ARG 48 HE ARG 48 -8.450 -11.088 8.998 297 HH11 ARG 48 1HH1 ARG 48 -7.357 -9.886 12.077 298 HH12 ARG 48 2HH1 ARG 48 -8.354 -10.963 12.998 299 HH21 ARG 48 1HH2 ARG 48 -9.768 -12.510 10.200 300 HH22 ARG 48 2HH2 ARG 48 -9.724 -12.456 11.930 301 H ARG 49 H ARG 49 -2.345 -9.570 13.571 302 HA ARG 49 HA ARG 49 -4.204 -9.257 15.563 303 HB2 ARG 49 2HB ARG 49 -4.555 -11.769 14.219 304 HB3 ARG 49 3HB ARG 49 -4.037 -12.063 15.874 305 HG2 ARG 49 2HG ARG 49 -5.910 -10.265 16.390 306 HG3 ARG 49 3HG ARG 49 -6.544 -10.859 14.853 307 HD2 ARG 49 2HD ARG 49 -6.176 -13.203 15.876 308 HD3 ARG 49 3HD ARG 49 -6.097 -12.346 17.415 309 HE ARG 49 HE ARG 49 -8.437 -12.878 15.860 310 HH11 ARG 49 1HH1 ARG 49 -6.996 -10.666 18.130 311 HH12 ARG 49 2HH1 ARG 49 -8.515 -10.100 18.742 312 HH21 ARG 49 1HH2 ARG 49 -10.443 -12.141 16.659 313 HH22 ARG 49 2HH2 ARG 49 -10.475 -10.941 17.906 314 H CYS 50 H CYS 50 -2.998 -8.862 17.291 315 HA CYS 50 HA CYS 50 -0.403 -8.880 17.660 316 HB2 CYS 50 2HB CYS 50 -0.764 -9.520 20.101 317 HB3 CYS 50 3HB CYS 50 -1.728 -8.181 19.492 318 HG CYS 50 HG CYS 50 -3.290 -9.726 21.232 319 H ASP 51 H ASP 51 0.851 -10.379 16.642 320 HA ASP 51 HA ASP 51 1.600 -12.693 18.002 321 HB2 ASP 51 2HB ASP 51 0.431 -14.425 17.123 322 HB3 ASP 51 3HB ASP 51 -0.786 -13.189 16.817 323 H ALA 52 H ALA 52 3.555 -13.337 17.294 324 HA ALA 52 HA ALA 52 4.430 -12.349 14.657 325 HB1 ALA 52 1HB ALA 52 5.743 -11.083 16.026 326 HB2 ALA 52 2HB ALA 52 5.759 -12.289 17.313 327 HB3 ALA 52 3HB ALA 52 6.766 -12.513 15.882 328 H ASN 53 H ASN 53 6.231 -13.600 13.689 329 HA ASN 53 HA ASN 53 6.316 -16.406 14.525 330 HB2 ASN 53 2HB ASN 53 5.616 -15.435 11.748 331 HB3 ASN 53 3HB ASN 53 6.058 -17.098 12.124 332 HD21 ASN 53 1HD2 ASN 53 3.842 -14.568 13.254 333 HD22 ASN 53 2HD2 ASN 53 2.492 -15.620 13.491 334 H ASN 54 H ASN 54 8.441 -16.171 15.182 335 HA ASN 54 HA ASN 54 10.471 -14.900 13.718 336 HB2 ASN 54 2HB ASN 54 11.839 -16.778 15.142 337 HB3 ASN 54 3HB ASN 54 11.286 -15.241 15.801 338 HD21 ASN 54 1HD2 ASN 54 8.957 -15.319 16.605 339 HD22 ASN 54 2HD2 ASN 54 8.533 -16.700 17.554 340 H ILE 55 H ILE 55 11.152 -15.427 11.755 341 HA ILE 55 HA ILE 55 11.452 -18.284 11.097 342 HB ILE 55 HB ILE 55 10.576 -16.060 9.253 343 HG12 ILE 55 2HG1 ILE 55 9.198 -18.509 10.355 344 HG13 ILE 55 3HG1 ILE 55 8.729 -16.825 10.561 345 HG21 ILE 55 1HG2 ILE 55 11.311 -17.242 7.526 346 HG22 ILE 55 2HG2 ILE 55 12.048 -18.386 8.646 347 HG23 ILE 55 3HG2 ILE 55 10.402 -18.651 8.071 348 HD11 ILE 55 1HD1 ILE 55 7.786 -18.622 8.663 349 HD12 ILE 55 2HD1 ILE 55 7.498 -16.882 8.725 350 HD13 ILE 55 3HD1 ILE 55 8.837 -17.521 7.773 351 H CYS 56 H CYS 56 13.625 -18.427 11.514 352 HA CYS 56 HA CYS 56 15.370 -16.767 9.817 353 HB2 CYS 56 2HB CYS 56 15.441 -16.420 12.392 354 HB3 CYS 56 3HB CYS 56 16.303 -17.953 12.414 355 HG CYS 56 HG CYS 56 17.451 -15.553 10.325 356 H LYS 57 H LYS 57 14.906 -18.594 8.304 357 HA LYS 57 HA LYS 57 15.205 -20.892 7.710 358 HB2 LYS 57 2HB LYS 57 17.564 -20.901 6.741 359 HB3 LYS 57 3HB LYS 57 16.490 -19.618 6.199 360 HG2 LYS 57 2HG LYS 57 17.546 -18.098 7.841 361 HG3 LYS 57 3HG LYS 57 18.680 -19.386 8.251 362 HD2 LYS 57 2HD LYS 57 18.326 -18.288 5.466 363 HD3 LYS 57 3HD LYS 57 19.543 -17.703 6.604 364 HE2 LYS 57 2HE LYS 57 19.603 -20.579 6.421 365 HE3 LYS 57 3HE LYS 57 19.768 -19.849 4.825 366 HZ1 LYS 57 1HZ LYS 57 21.428 -19.182 7.196 367 HZ2 LYS 57 2HZ LYS 57 21.599 -18.520 5.649 368 HZ3 LYS 57 3HZ LYS 57 21.913 -20.163 5.905 369 H CYS 58 H CYS 58 15.354 -20.800 10.550 370 HA CYS 58 HA CYS 58 16.905 -23.151 11.011 371 HB2 CYS 58 2HB CYS 58 18.630 -21.313 11.144 372 HB3 CYS 58 3HB CYS 58 17.758 -20.689 12.540 373 HG CYS 58 HG CYS 58 19.042 -22.109 14.236 374 H SER 59 H SER 59 15.072 -20.456 12.333 375 HA SER 59 HA SER 59 13.854 -22.324 14.257 376 HB2 SER 59 2HB SER 59 13.593 -19.743 15.340 377 HB3 SER 59 3HB SER 59 14.626 -21.046 15.930 378 HG SER 59 HG SER 59 16.142 -19.641 15.485 379 H CYS 60 H CYS 60 11.727 -22.517 14.050 380 HA CYS 60 HA CYS 60 10.198 -20.286 12.904 381 HB2 CYS 60 2HB CYS 60 8.828 -21.967 11.647 382 HB3 CYS 60 3HB CYS 60 10.487 -21.820 11.078 383 HG CYS 60 HG CYS 60 9.295 -24.338 13.068 384 H THR 61 H THR 61 8.928 -19.646 14.518 385 HA THR 61 HA THR 61 7.225 -21.638 15.820 386 HB THR 61 HB THR 61 7.793 -21.152 17.975 387 HG1 THR 61 HG1 THR 61 8.810 -19.064 18.510 388 HG21 THR 61 1HG2 THR 61 10.210 -20.923 18.224 389 HG22 THR 61 2HG2 THR 61 10.340 -20.354 16.560 390 HG23 THR 61 3HG2 THR 61 9.825 -22.008 16.889 391 H ALA 62 H ALA 62 5.262 -20.808 16.645 392 HA ALA 62 HA ALA 62 4.572 -18.139 15.603 393 HB1 ALA 62 1HB ALA 62 3.432 -20.065 14.511 394 HB2 ALA 62 2HB ALA 62 2.681 -20.440 16.063 395 HB3 ALA 62 3HB ALA 62 2.330 -18.909 15.261 396 H ILE 63 H ILE 63 4.555 -16.717 17.221 397 HA ILE 63 HA ILE 63 3.116 -17.444 19.683 398 HB ILE 63 HB ILE 63 4.898 -15.573 20.572 399 HG12 ILE 63 2HG1 ILE 63 6.370 -17.394 18.655 400 HG13 ILE 63 3HG1 ILE 63 6.162 -15.656 18.467 401 HG21 ILE 63 1HG2 ILE 63 4.146 -17.989 21.341 402 HG22 ILE 63 2HG2 ILE 63 5.731 -18.421 20.702 403 HG23 ILE 63 3HG2 ILE 63 5.596 -17.221 21.987 404 HD11 ILE 63 1HD1 ILE 63 8.100 -17.143 20.024 405 HD12 ILE 63 2HD1 ILE 63 8.129 -15.467 19.476 406 HD13 ILE 63 3HD1 ILE 63 7.287 -15.894 20.966 407 HA PRO 64 HA PRO 64 0.937 -13.641 19.439 408 HB2 PRO 64 2HB PRO 64 1.099 -12.596 21.940 409 HB3 PRO 64 3HB PRO 64 0.124 -14.019 21.555 410 HG2 PRO 64 2HG PRO 64 2.855 -13.866 22.773 411 HG3 PRO 64 3HG PRO 64 1.485 -14.899 23.223 412 HD2 PRO 64 2HD PRO 64 3.560 -15.799 21.734 413 HD3 PRO 64 3HD PRO 64 1.905 -16.408 21.532 414 H CYS 65 H CYS 65 1.044 -11.273 19.617 415 HA CYS 65 HA CYS 65 3.181 -10.110 18.441 416 HB2 CYS 65 2HB CYS 65 0.970 -9.023 18.939 417 HB3 CYS 65 3HB CYS 65 1.549 -8.724 20.574 418 HG CYS 65 HG CYS 65 3.300 -6.805 20.001 419 H ASN 66 H ASN 66 5.259 -10.048 18.952 420 HA ASN 66 HA ASN 66 6.422 -10.750 21.335 421 HB2 ASN 66 2HB ASN 66 7.285 -9.417 18.894 422 HB3 ASN 66 3HB ASN 66 8.179 -8.856 20.304 423 HD21 ASN 66 1HD2 ASN 66 6.808 -12.055 19.954 424 HD22 ASN 66 2HD2 ASN 66 8.314 -12.899 19.873 425 H GLU 67 H GLU 67 4.860 -7.788 20.531 426 HA GLU 67 HA GLU 67 5.877 -6.536 22.993 427 HB2 GLU 67 2HB GLU 67 5.150 -5.494 20.343 428 HB3 GLU 67 3HB GLU 67 4.521 -4.551 21.686 429 HG2 GLU 67 2HG GLU 67 7.413 -5.319 21.399 430 HG3 GLU 67 3HG GLU 67 6.733 -3.804 20.806 431 H ASP 68 H ASP 68 3.132 -7.919 21.515 432 HA ASP 68 HA ASP 68 1.485 -7.082 23.798 433 HB2 ASP 68 2HB ASP 68 0.484 -7.261 20.949 434 HB3 ASP 68 3HB ASP 68 -0.459 -6.802 22.364 435 H HIS 69 H HIS 69 2.107 -9.168 24.641 436 HA HIS 69 HA HIS 69 1.894 -11.638 23.576 437 HB2 HIS 69 2HB HIS 69 0.700 -11.023 26.277 438 HB3 HIS 69 3HB HIS 69 1.496 -12.505 25.758 439 HD1 HIS 69 HD1 HIS 69 3.864 -10.596 24.417 440 HD2 HIS 69 HD2 HIS 69 2.630 -10.880 28.373 441 HE1 HIS 69 HE1 HIS 69 5.816 -9.801 25.788 442 HA PRO 70 HA PRO 70 -2.345 -12.972 23.180 443 HB2 PRO 70 2HB PRO 70 -3.292 -14.181 25.419 444 HB3 PRO 70 3HB PRO 70 -2.097 -14.931 24.354 445 HG2 PRO 70 2HG PRO 70 -1.685 -13.482 26.941 446 HG3 PRO 70 3HG PRO 70 -0.936 -14.984 26.369 447 HD2 PRO 70 2HD PRO 70 0.329 -12.592 26.263 448 HD3 PRO 70 3HD PRO 70 0.596 -13.868 25.057 449 H CYS 71 H CYS 71 -2.734 -10.528 23.232 450 HA CYS 71 HA CYS 71 -4.826 -9.958 25.224 451 HB2 CYS 71 2HB CYS 71 -2.928 -7.920 24.047 452 HB3 CYS 71 3HB CYS 71 -4.154 -7.630 25.275 453 HG CYS 71 HG CYS 71 -2.135 -10.006 26.312 454 H HIS 72 H HIS 72 -5.870 -7.672 24.275 455 HA HIS 72 HA HIS 72 -7.614 -8.438 22.291 456 HB2 HIS 72 2HB HIS 72 -6.673 -5.694 23.117 457 HB3 HIS 72 3HB HIS 72 -7.944 -5.932 21.921 458 HD1 HIS 72 HD1 HIS 72 -7.671 -8.076 24.995 459 HD2 HIS 72 HD2 HIS 72 -9.968 -4.937 23.534 460 HE1 HIS 72 HE1 HIS 72 -9.601 -7.856 26.591 461 H HIS 73 H HIS 73 -7.851 -7.715 20.069 462 HA HIS 73 HA HIS 73 -5.804 -8.410 18.399 463 HB2 HIS 73 2HB HIS 73 -7.023 -7.379 16.604 464 HB3 HIS 73 3HB HIS 73 -8.195 -8.034 17.743 465 HD1 HIS 73 HD1 HIS 73 -7.949 -5.284 15.693 466 HD2 HIS 73 HD2 HIS 73 -8.695 -5.655 19.763 467 HE1 HIS 73 HE1 HIS 73 -9.109 -3.155 16.361 468 H CYS 74 H CYS 74 -4.581 -7.046 16.836 469 HA CYS 74 HA CYS 74 -2.724 -5.685 16.694 470 HB2 CYS 74 2HB CYS 74 -4.987 -4.400 16.044 471 HB3 CYS 74 3HB CYS 74 -4.454 -3.364 17.362 472 HG CYS 74 HG CYS 74 -2.452 -4.127 14.698 473 H HIS 75 H HIS 75 -1.663 -3.601 17.729 474 HA HIS 75 HA HIS 75 -0.519 -4.174 20.079 475 HB2 HIS 75 2HB HIS 75 0.089 -1.905 20.322 476 HB3 HIS 75 3HB HIS 75 -0.131 -2.133 18.590 477 HD1 HIS 75 HD1 HIS 75 -0.705 0.360 20.885 478 HD2 HIS 75 HD2 HIS 75 -3.198 -1.508 18.135 479 HE1 HIS 75 HE1 HIS 75 -2.601 1.966 20.497 480 H GLU 76 H GLU 76 -0.799 -3.501 22.295 481 HA GLU 76 HA GLU 76 -3.553 -3.782 23.146 482 HB2 GLU 76 2HB GLU 76 -1.020 -4.449 24.221 483 HB3 GLU 76 3HB GLU 76 -1.758 -3.302 25.330 484 HG2 GLU 76 2HG GLU 76 -2.808 -5.970 24.450 485 HG3 GLU 76 3HG GLU 76 -2.380 -5.443 26.077 486 H GLU 77 H GLU 77 -4.849 -2.130 23.563 487 HA GLU 77 HA GLU 77 -4.003 0.185 24.988 488 HB2 GLU 77 2HB GLU 77 -3.929 1.813 23.377 489 HB3 GLU 77 3HB GLU 77 -3.291 0.458 22.457 490 HG2 GLU 77 2HG GLU 77 -4.818 1.094 20.949 491 HG3 GLU 77 3HG GLU 77 -5.919 0.165 21.964 492 H ASP 78 H ASP 78 -6.219 -1.999 24.184 493 HA ASP 78 HA ASP 78 -8.390 -0.409 25.285 494 HB2 ASP 78 2HB ASP 78 -9.974 -1.049 23.525 495 HB3 ASP 78 3HB ASP 78 -8.645 -0.101 22.863 496 H ASP 79 H ASP 79 -6.734 -2.655 26.159 497 HA ASP 79 HA ASP 79 -7.944 -5.134 25.996 498 HB2 ASP 79 2HB ASP 79 -6.547 -5.775 27.695 499 HB3 ASP 79 3HB ASP 79 -5.767 -4.258 27.255 500 H GLY 80 H GLY 80 -8.999 -6.245 27.990 501 HA2 GLY 80 2HA GLY 80 -10.848 -4.553 29.451 502 HA3 GLY 80 3HA GLY 80 -11.592 -5.597 28.249 503 H ASP 81 H ASP 81 -8.842 -6.248 30.391 504 HA ASP 81 HA ASP 81 -10.407 -8.457 31.557 505 HB2 ASP 81 2HB ASP 81 -7.867 -8.476 30.258 506 HB3 ASP 81 3HB ASP 81 -7.619 -8.882 31.954 507 H THR 82 H THR 82 -9.937 -9.008 33.778 508 HA THR 82 HA THR 82 -10.045 -6.877 35.533 509 HB THR 82 HB THR 82 -8.941 -9.598 36.245 510 HG1 THR 82 HG1 THR 82 -11.291 -9.040 35.177 511 HG21 THR 82 1HG2 THR 82 -10.143 -9.076 38.408 512 HG22 THR 82 2HG2 THR 82 -10.322 -7.425 37.812 513 HG23 THR 82 3HG2 THR 82 -8.714 -8.099 38.075 514 H HIS 83 H HIS 83 -7.288 -9.123 35.568 515 HA HIS 83 HA HIS 83 -5.530 -7.397 36.859 516 HB2 HIS 83 2HB HIS 83 -4.814 -9.603 34.917 517 HB3 HIS 83 3HB HIS 83 -3.750 -8.904 36.134 518 HD1 HIS 83 HD1 HIS 83 -6.519 -8.999 38.092 519 HD2 HIS 83 HD2 HIS 83 -4.291 -12.060 36.379 520 HE1 HIS 83 HE1 HIS 83 -6.996 -11.039 39.484 521 H CYS 84 H CYS 84 -6.084 -7.903 33.405 522 HA CYS 84 HA CYS 84 -3.987 -6.400 32.378 523 HB2 CYS 84 2HB CYS 84 -6.778 -6.879 31.335 524 HB3 CYS 84 3HB CYS 84 -5.557 -6.013 30.411 525 HG CYS 84 HG CYS 84 -3.782 -8.199 30.337 526 H HIS 85 H HIS 85 -7.243 -5.341 33.318 527 HA HIS 85 HA HIS 85 -6.840 -2.619 32.620 528 HB2 HIS 85 2HB HIS 85 -9.031 -2.473 33.058 529 HB3 HIS 85 3HB HIS 85 -8.993 -4.187 33.463 530 HD1 HIS 85 HD1 HIS 85 -8.387 -4.654 36.106 531 HD2 HIS 85 HD2 HIS 85 -9.831 -0.889 35.103 532 HE1 HIS 85 HE1 HIS 85 -9.197 -3.648 38.263 533 H CYS 86 H CYS 86 -6.194 -4.509 35.480 534 HA CYS 86 HA CYS 86 -5.778 -2.263 37.210 535 HB2 CYS 86 2HB CYS 86 -5.734 -5.165 37.427 536 HB3 CYS 86 3HB CYS 86 -4.416 -4.419 38.321 537 HG CYS 86 HG CYS 86 -5.810 -3.481 40.289 538 H SER 87 H SER 87 -3.809 -4.168 35.056 539 HA SER 87 HA SER 87 -1.311 -3.151 36.083 540 HB2 SER 87 2HB SER 87 -1.866 -4.680 33.529 541 HB3 SER 87 3HB SER 87 -0.282 -4.403 34.252 542 HG SER 87 HG SER 87 -2.263 -5.607 35.814 543 H CYS 88 H CYS 88 -3.640 -2.228 33.715 544 HA CYS 88 HA CYS 88 -1.841 -0.513 32.242 545 HB2 CYS 88 2HB CYS 88 -4.828 -0.938 32.133 546 HB3 CYS 88 3HB CYS 88 -3.992 0.237 31.126 547 HG CYS 88 HG CYS 88 -4.604 -2.075 29.630 548 H GLU 89 H GLU 89 -4.301 -0.186 34.736 549 HA GLU 89 HA GLU 89 -4.419 2.647 34.705 550 HB2 GLU 89 2HB GLU 89 -5.895 0.707 35.893 551 HB3 GLU 89 3HB GLU 89 -4.953 1.273 37.265 552 HG2 GLU 89 2HG GLU 89 -5.713 3.581 36.763 553 HG3 GLU 89 3HG GLU 89 -6.759 2.917 35.510 554 H HIS 90 H HIS 90 -2.356 0.325 36.314 555 HA HIS 90 HA HIS 90 -1.098 2.392 37.935 556 HB2 HIS 90 2HB HIS 90 -0.428 0.720 39.286 557 HB3 HIS 90 3HB HIS 90 -1.563 -0.276 38.380 558 HD1 HIS 90 HD1 HIS 90 -0.387 -1.467 36.172 559 HD2 HIS 90 HD2 HIS 90 2.090 -0.261 39.282 560 HE1 HIS 90 HE1 HIS 90 1.753 -2.750 35.862 561 H SER 91 H SER 91 -0.526 0.534 35.048 562 HA SER 91 HA SER 91 2.272 1.173 34.877 563 HB2 SER 91 2HB SER 91 1.456 -0.881 33.860 564 HB3 SER 91 3HB SER 91 0.357 0.033 32.827 565 HG SER 91 HG SER 91 2.163 0.950 31.811 566 H HIS 92 H HIS 92 -0.727 2.478 33.611 567 HA HIS 92 HA HIS 92 0.538 4.290 31.784 568 HB2 HIS 92 2HB HIS 92 -1.860 3.353 31.671 569 HB3 HIS 92 3HB HIS 92 -2.259 4.591 32.859 570 HD1 HIS 92 HD1 HIS 92 -2.363 7.019 32.049 571 HD2 HIS 92 HD2 HIS 92 -1.259 4.320 29.090 572 HE1 HIS 92 HE1 HIS 92 -2.497 8.298 29.888 573 H ASP 93 H ASP 93 -0.496 4.391 35.115 574 HA ASP 93 HA ASP 93 -0.325 7.239 35.376 575 HB2 ASP 93 2HB ASP 93 -1.768 6.201 36.921 576 HB3 ASP 93 3HB ASP 93 -0.579 4.969 37.335 577 H HIS 94 H HIS 94 1.903 4.610 35.532 578 HA HIS 94 HA HIS 94 3.930 6.215 36.886 579 HB2 HIS 94 2HB HIS 94 3.545 3.763 37.414 580 HB3 HIS 94 3HB HIS 94 4.229 3.401 35.832 581 HD1 HIS 94 HD1 HIS 94 6.229 2.162 36.901 582 HD2 HIS 94 HD2 HIS 94 5.931 6.162 37.986 583 HE1 HIS 94 HE1 HIS 94 8.423 2.728 37.993 584 H HIS 95 H HIS 95 3.020 5.157 33.724 585 HA HIS 95 HA HIS 95 5.402 6.494 32.628 586 HB2 HIS 95 2HB HIS 95 4.211 3.846 31.856 587 HB3 HIS 95 3HB HIS 95 5.117 4.796 30.682 588 HD1 HIS 95 HD1 HIS 95 7.595 5.605 31.834 589 HD2 HIS 95 HD2 HIS 95 5.812 2.067 33.086 590 HE1 HIS 95 HE1 HIS 95 9.445 4.247 32.862 591 H ASP 96 H ASP 96 2.883 7.682 33.105 592 HA ASP 96 HA ASP 96 1.109 7.703 30.970 593 HB2 ASP 96 2HB ASP 96 0.612 10.083 31.727 594 HB3 ASP 96 3HB ASP 96 0.459 8.827 32.953 595 H ASP 97 H ASP 97 4.312 8.910 31.155 596 HA ASP 97 HA ASP 97 4.027 10.775 28.963 597 HB2 ASP 97 2HB ASP 97 6.667 9.781 29.989 598 HB3 ASP 97 3HB ASP 97 6.252 11.368 29.345 599 H ASP 98 H ASP 98 3.946 7.548 29.049 600 HA ASP 98 HA ASP 98 5.202 7.310 26.400 601 HB2 ASP 98 2HB ASP 98 5.429 5.414 28.735 602 HB3 ASP 98 3HB ASP 98 5.755 4.911 27.079 603 H THR 99 H THR 99 2.581 7.906 26.586 604 HA THR 99 HA THR 99 1.089 5.395 26.393 605 HB THR 99 HB THR 99 0.112 7.212 27.756 606 HG1 THR 99 HG1 THR 99 -1.372 6.653 25.384 607 HG21 THR 99 1HG2 THR 99 -0.773 8.809 25.479 608 HG22 THR 99 2HG2 THR 99 0.971 8.875 25.737 609 HG23 THR 99 3HG2 THR 99 -0.131 9.322 27.039 610 H HIS 100 H HIS 100 3.035 6.376 24.354 611 HA HIS 100 HA HIS 100 1.485 5.744 22.047 612 HB2 HIS 100 2HB HIS 100 1.504 8.453 22.734 613 HB3 HIS 100 3HB HIS 100 2.697 8.310 21.446 614 HD1 HIS 100 HD1 HIS 100 1.175 6.064 19.835 615 HD2 HIS 100 HD2 HIS 100 -0.486 9.610 21.225 616 HE1 HIS 100 HE1 HIS 100 -0.819 6.494 18.365 617 H GLY 101 H GLY 101 2.982 6.373 19.990 618 HA2 GLY 101 2HA GLY 101 5.546 5.098 20.611 619 HA3 GLY 101 3HA GLY 101 4.814 5.227 19.019 620 H GLU 102 H GLU 102 6.673 6.888 21.472 621 HA GLU 102 HA GLU 102 7.913 8.526 19.447 622 HB2 GLU 102 2HB GLU 102 5.707 9.584 20.795 623 HB3 GLU 102 3HB GLU 102 7.101 10.284 21.605 624 HG2 GLU 102 2HG GLU 102 6.381 10.467 18.695 625 HG3 GLU 102 3HG GLU 102 6.459 11.771 19.878 626 H CYS 103 H CYS 103 9.587 10.022 20.515 627 HA CYS 103 HA CYS 103 10.536 9.560 23.106 628 HB2 CYS 103 2HB CYS 103 12.633 8.236 22.361 629 HB3 CYS 103 3HB CYS 103 11.133 7.354 22.625 630 H THR 104 H THR 104 11.749 11.269 23.560 631 HA THR 104 HA THR 104 13.795 12.228 21.799 632 HB THR 104 HB THR 104 11.547 14.167 22.330 633 HG1 THR 104 HG1 THR 104 10.696 12.655 20.923 634 HG21 THR 104 1HG2 THR 104 14.172 14.247 20.979 635 HG22 THR 104 2HG2 THR 104 13.273 15.531 21.787 636 HG23 THR 104 3HG2 THR 104 12.849 15.059 20.142 637 H LYS 105 H LYS 105 13.068 11.438 24.675 638 HA LYS 105 HA LYS 105 13.976 13.839 26.086 639 HB2 LYS 105 2HB LYS 105 12.137 11.808 26.724 640 HB3 LYS 105 3HB LYS 105 13.507 11.566 27.800 641 HG2 LYS 105 2HG LYS 105 13.326 13.843 28.597 642 HG3 LYS 105 3HG LYS 105 12.013 14.159 27.460 643 HD2 LYS 105 2HD LYS 105 10.882 13.727 29.439 644 HD3 LYS 105 3HD LYS 105 10.849 12.160 28.627 645 HE2 LYS 105 2HE LYS 105 12.885 11.533 29.937 646 HE3 LYS 105 3HE LYS 105 12.703 13.038 30.837 647 HZ1 LYS 105 1HZ LYS 105 10.673 10.874 30.693 648 HZ2 LYS 105 2HZ LYS 105 10.543 12.301 31.592 649 HZ3 LYS 105 3HZ LYS 105 11.715 11.151 31.997 650 H LYS 106 H LYS 106 15.412 13.154 28.103 651 HA LYS 106 HA LYS 106 17.924 12.428 27.073 652 HB2 LYS 106 2HB LYS 106 17.372 13.807 29.168 653 HB3 LYS 106 3HB LYS 106 17.187 12.262 29.988 654 HG2 LYS 106 2HG LYS 106 19.673 12.473 28.483 655 HG3 LYS 106 3HG LYS 106 19.513 13.688 29.753 656 HD2 LYS 106 2HD LYS 106 19.675 12.161 31.407 657 HD3 LYS 106 3HD LYS 106 18.736 10.956 30.524 658 HE2 LYS 106 2HE LYS 106 21.214 11.364 29.173 659 HE3 LYS 106 3HE LYS 106 21.541 11.086 30.883 660 HZ1 LYS 106 1HZ LYS 106 21.289 8.940 30.447 661 HZ2 LYS 106 2HZ LYS 106 20.701 9.238 28.889 662 HZ3 LYS 106 3HZ LYS 106 19.639 9.228 30.206 663 H ALA 107 H ALA 107 15.354 10.475 27.505 664 HA ALA 107 HA ALA 107 16.985 8.144 28.265 665 HB1 ALA 107 1HB ALA 107 14.462 8.987 29.163 666 HB2 ALA 107 2HB ALA 107 14.183 7.553 28.174 667 HB3 ALA 107 3HB ALA 107 15.296 7.480 29.541 668 HA PRO 108 HA PRO 108 16.424 6.093 24.418 669 HB2 PRO 108 2HB PRO 108 15.287 3.696 24.992 670 HB3 PRO 108 3HB PRO 108 16.960 4.088 25.404 671 HG2 PRO 108 2HG PRO 108 14.520 4.139 27.138 672 HG3 PRO 108 3HG PRO 108 16.144 3.531 27.509 673 HD2 PRO 108 2HD PRO 108 15.268 5.952 28.348 674 HD3 PRO 108 3HD PRO 108 16.969 5.637 27.949 675 H CYS 109 H CYS 109 14.773 4.775 23.024 676 HA CYS 109 HA CYS 109 12.427 6.410 22.791 677 HB2 CYS 109 2HB CYS 109 13.691 5.536 20.828 678 HB3 CYS 109 3HB CYS 109 13.155 3.913 21.249 679 H TRP 110 H TRP 110 10.256 5.708 22.869 680 HA TRP 110 HA TRP 110 9.800 3.189 24.319 681 HB2 TRP 110 2HB TRP 110 8.354 4.192 25.868 682 HB3 TRP 110 3HB TRP 110 9.687 5.336 25.745 683 HD1 TRP 110 HD1 TRP 110 6.234 4.877 24.008 684 HE1 TRP 110 HE1 TRP 110 5.185 7.210 23.724 685 HE3 TRP 110 HE3 TRP 110 10.006 7.709 25.980 686 HZ2 TRP 110 HZ2 TRP 110 5.866 9.896 24.263 687 HZ3 TRP 110 HZ3 TRP 110 9.729 10.152 26.059 688 HH2 TRP 110 HH2 TRP 110 7.701 11.221 25.217 689 H ARG 111 H ARG 111 7.511 2.452 24.193 690 HA ARG 111 HA ARG 111 6.348 3.171 21.582 691 HB2 ARG 111 2HB ARG 111 5.913 0.527 22.944 692 HB3 ARG 111 3HB ARG 111 5.701 0.938 21.247 693 HG2 ARG 111 2HG ARG 111 7.763 0.285 20.787 694 HG3 ARG 111 3HG ARG 111 8.422 1.384 22.000 695 HD2 ARG 111 2HD ARG 111 7.494 -1.453 22.382 696 HD3 ARG 111 3HD ARG 111 9.124 -0.812 22.583 697 HE ARG 111 HE ARG 111 6.938 -0.649 24.470 698 HH11 ARG 111 1HH1 ARG 111 10.054 0.569 23.507 699 HH12 ARG 111 2HH1 ARG 111 10.442 1.189 25.078 700 HH21 ARG 111 1HH2 ARG 111 7.438 0.163 26.542 701 HH22 ARG 111 2HH2 ARG 111 8.954 0.956 26.804 702 H CYS 112 H CYS 112 3.983 2.818 21.416 703 HA CYS 112 HA CYS 112 2.595 4.259 23.362 704 HB2 CYS 112 2HB CYS 112 0.538 3.440 22.195 705 HB3 CYS 112 3HB CYS 112 1.740 4.140 21.118 706 HG CYS 112 HG CYS 112 1.834 0.789 21.544 707 H GLU 113 H GLU 113 2.115 3.684 25.367 708 HA GLU 113 HA GLU 113 2.114 0.926 26.184 709 HB2 GLU 113 2HB GLU 113 1.747 3.550 27.590 710 HB3 GLU 113 3HB GLU 113 1.346 2.048 28.410 711 HG2 GLU 113 2HG GLU 113 4.008 2.313 27.108 712 HG3 GLU 113 3HG GLU 113 3.717 3.122 28.647 713 H TYR 114 H TYR 114 0.295 0.108 27.599 714 HA TYR 114 HA TYR 114 -2.238 0.602 26.208 715 HB2 TYR 114 2HB TYR 114 -2.599 -1.585 27.888 716 HB3 TYR 114 3HB TYR 114 -2.279 -1.637 26.158 717 HD1 TYR 114 HD1 TYR 114 0.080 -1.907 25.359 718 HD2 TYR 114 HD2 TYR 114 -0.986 -2.328 29.456 719 HE1 TYR 114 HE1 TYR 114 2.195 -3.090 25.782 720 HE2 TYR 114 HE2 TYR 114 1.126 -3.511 29.891 721 HH TYR 114 HH TYR 114 2.854 -4.971 27.923 722 H ASN 115 H ASN 115 -3.931 1.512 27.192 723 HA ASN 115 HA ASN 115 -3.783 1.906 30.109 724 HB2 ASN 115 2HB ASN 115 -3.549 3.945 28.491 725 HB3 ASN 115 3HB ASN 115 -5.292 3.774 28.309 726 HD21 ASN 115 1HD2 ASN 115 -4.909 6.042 29.233 727 HD22 ASN 115 2HD2 ASN 115 -5.027 6.176 30.951 728 H ALA 116 H ALA 116 -6.045 2.468 31.014 729 HA ALA 116 HA ALA 116 -7.695 0.241 30.762 730 HB1 ALA 116 1HB ALA 116 -8.530 1.135 32.610 731 HB2 ALA 116 2HB ALA 116 -7.659 2.636 32.292 732 HB3 ALA 116 3HB ALA 116 -9.286 2.409 31.652 733 H ASP 117 H ASP 117 -10.154 0.526 30.275 734 HA ASP 117 HA ASP 117 -10.336 1.238 27.480 735 HB2 ASP 117 2HB ASP 117 -12.658 0.316 27.685 736 HB3 ASP 117 3HB ASP 117 -11.389 -0.816 28.145 737 H LEU 118 H LEU 118 -10.917 3.174 26.776 738 HA LEU 118 HA LEU 118 -13.115 4.615 27.883 739 HB2 LEU 118 2HB LEU 118 -11.861 6.632 28.520 740 HB3 LEU 118 3HB LEU 118 -11.500 5.246 29.547 741 HG LEU 118 HG LEU 118 -9.505 5.079 27.703 742 HD11 LEU 118 1HD1 LEU 118 -10.340 7.280 26.770 743 HD12 LEU 118 2HD1 LEU 118 -8.633 7.208 27.204 744 HD13 LEU 118 3HD1 LEU 118 -9.780 8.017 28.271 745 HD21 LEU 118 1HD2 LEU 118 -8.068 5.971 29.449 746 HD22 LEU 118 2HD2 LEU 118 -9.302 4.918 30.141 747 HD23 LEU 118 3HD2 LEU 118 -9.466 6.671 30.266 748 H LYS 119 H LYS 119 -13.472 6.697 26.733 749 HA LYS 119 HA LYS 119 -13.221 6.353 23.951 750 HB2 LYS 119 2HB LYS 119 -15.044 7.636 24.953 751 HB3 LYS 119 3HB LYS 119 -13.900 8.840 25.532 752 HG2 LYS 119 2HG LYS 119 -13.415 8.687 22.805 753 HG3 LYS 119 3HG LYS 119 -15.172 8.590 22.952 754 HD2 LYS 119 2HD LYS 119 -14.456 10.581 24.741 755 HD3 LYS 119 3HD LYS 119 -13.392 10.848 23.358 756 HE2 LYS 119 2HE LYS 119 -15.102 11.911 22.402 757 HE3 LYS 119 3HE LYS 119 -15.858 10.330 22.213 758 HZ1 LYS 119 1HZ LYS 119 -16.808 10.687 24.491 759 HZ2 LYS 119 2HZ LYS 119 -17.420 11.705 23.288 760 HZ3 LYS 119 3HZ LYS 119 -16.282 12.292 24.393 761 H HIS 120 H HIS 120 -11.327 6.406 22.924 762 HA HIS 120 HA HIS 120 -9.766 8.820 22.942 763 HB2 HIS 120 2HB HIS 120 -7.620 7.536 23.467 764 HB3 HIS 120 3HB HIS 120 -8.678 7.899 24.827 765 HD1 HIS 120 HD1 HIS 120 -9.507 5.058 22.549 766 HD2 HIS 120 HD2 HIS 120 -7.740 5.679 26.258 767 HE1 HIS 120 HE1 HIS 120 -9.337 2.780 23.603 768 H ASP 121 H ASP 121 -7.560 8.173 21.635 769 HA ASP 121 HA ASP 121 -8.578 7.048 19.136 770 HB2 ASP 121 2HB ASP 121 -6.876 9.227 19.776 771 HB3 ASP 121 3HB ASP 121 -5.909 8.055 18.884 772 H VAL 122 H VAL 122 -6.864 5.851 17.798 773 HA VAL 122 HA VAL 122 -5.782 3.722 19.492 774 HB VAL 122 HB VAL 122 -6.029 3.719 16.485 775 HG11 VAL 122 1HG1 VAL 122 -6.046 1.217 16.912 776 HG12 VAL 122 2HG1 VAL 122 -4.511 2.049 17.169 777 HG13 VAL 122 3HG1 VAL 122 -5.512 1.596 18.549 778 HG21 VAL 122 1HG2 VAL 122 -8.034 2.166 17.105 779 HG22 VAL 122 2HG2 VAL 122 -8.023 3.078 18.614 780 HG23 VAL 122 3HG2 VAL 122 -8.249 3.916 17.079 781 H CYS 123 H CYS 123 -3.659 2.933 19.226 782 HA CYS 123 HA CYS 123 -1.808 4.850 17.969 783 HB2 CYS 123 2HB CYS 123 -0.997 3.069 20.244 784 HB3 CYS 123 3HB CYS 123 -0.287 4.592 19.722 785 HG CYS 123 HG CYS 123 -1.500 4.850 22.272 786 H GLY 124 H GLY 124 0.525 3.437 18.122 787 HA2 GLY 124 2HA GLY 124 -0.022 0.923 16.684 788 HA3 GLY 124 3HA GLY 124 1.056 2.123 15.987 789 H CYS 125 H CYS 125 0.853 -0.605 17.928 790 HA CYS 125 HA CYS 125 2.687 -0.469 19.892 791 HB2 CYS 125 2HB CYS 125 3.411 -2.828 19.160 792 HB3 CYS 125 3HB CYS 125 1.711 -2.574 19.537 793 HG CYS 125 HG CYS 125 1.139 -2.175 16.701 794 H GLU 126 H GLU 126 3.407 -0.590 16.439 795 HA GLU 126 HA GLU 126 6.218 0.025 17.082 796 HB2 GLU 126 2HB GLU 126 5.037 -1.925 15.240 797 HB3 GLU 126 3HB GLU 126 6.269 -0.915 14.497 798 HG2 GLU 126 2HG GLU 126 7.697 -2.432 15.288 799 HG3 GLU 126 3HG GLU 126 7.480 -1.600 16.827 800 H CYS 127 H CYS 127 4.296 0.161 14.094 801 HA CYS 127 HA CYS 127 3.914 2.907 13.966 802 HB2 CYS 127 2HB CYS 127 5.714 3.805 12.798 803 HB3 CYS 127 3HB CYS 127 6.509 2.719 13.931 804 HG CYS 127 HG CYS 127 7.388 0.937 12.189 805 H SER 128 H SER 128 3.496 3.664 11.666 806 HA SER 128 HA SER 128 2.315 1.429 10.163 807 HB2 SER 128 2HB SER 128 0.904 3.410 11.111 808 HB3 SER 128 3HB SER 128 1.556 4.303 9.737 809 HG SER 128 HG SER 128 0.610 1.834 9.055 810 H LYS 129 H LYS 129 1.963 2.237 7.728 811 HA LYS 129 HA LYS 129 4.639 2.508 6.671 812 HB2 LYS 129 2HB LYS 129 3.003 0.915 5.704 813 HB3 LYS 129 3HB LYS 129 2.000 2.274 5.212 814 HG2 LYS 129 2HG LYS 129 4.556 2.796 4.190 815 HG3 LYS 129 3HG LYS 129 4.240 1.088 3.877 816 HD2 LYS 129 2HD LYS 129 1.860 2.174 3.184 817 HD3 LYS 129 3HD LYS 129 2.955 3.492 2.761 818 HE2 LYS 129 2HE LYS 129 4.175 1.143 1.833 819 HE3 LYS 129 3HE LYS 129 2.472 1.007 1.397 820 HZ1 LYS 129 1HZ LYS 129 4.313 2.342 -0.031 821 HZ2 LYS 129 2HZ LYS 129 3.636 3.597 0.878 822 HZ3 LYS 129 3HZ LYS 129 2.649 2.637 -0.105 823 H LEU 130 H LEU 130 4.388 4.782 7.888 824 HA LEU 130 HA LEU 130 3.590 6.744 5.839 825 HB2 LEU 130 2HB LEU 130 3.428 6.786 8.817 826 HB3 LEU 130 3HB LEU 130 3.627 8.303 7.944 827 HG LEU 130 HG LEU 130 1.283 7.848 8.516 828 HD11 LEU 130 1HD1 LEU 130 1.795 9.191 6.555 829 HD12 LEU 130 2HD1 LEU 130 0.347 8.222 6.286 830 HD13 LEU 130 3HD1 LEU 130 1.880 7.736 5.562 831 HD21 LEU 130 1HD2 LEU 130 1.034 5.714 6.500 832 HD22 LEU 130 2HD2 LEU 130 0.188 5.938 8.031 833 HD23 LEU 130 3HD2 LEU 130 1.814 5.255 8.013 834 HA PRO 131 HA PRO 131 7.696 8.270 5.602 835 HB2 PRO 131 2HB PRO 131 7.317 10.951 5.409 836 HB3 PRO 131 3HB PRO 131 6.931 9.829 4.099 837 HG2 PRO 131 2HG PRO 131 5.111 11.078 6.121 838 HG3 PRO 131 3HG PRO 131 4.861 10.852 4.380 839 HD2 PRO 131 2HD PRO 131 3.758 9.215 6.233 840 HD3 PRO 131 3HD PRO 131 4.250 8.643 4.626 841 H CYS 132 H CYS 132 5.627 9.511 8.120 842 HA CYS 132 HA CYS 132 7.508 11.041 9.542 843 HB2 CYS 132 2HB CYS 132 4.998 11.003 9.880 844 HB3 CYS 132 3HB CYS 132 5.219 9.496 10.762 845 H ASN 133 H ASN 133 6.323 8.717 11.668 846 HA ASN 133 HA ASN 133 8.285 7.949 13.117 847 HB2 ASN 133 2HB ASN 133 7.285 5.934 13.509 848 HB3 ASN 133 3HB ASN 133 6.017 6.649 12.519 849 HD21 ASN 133 1HD2 ASN 133 5.404 5.612 10.748 850 HD22 ASN 133 2HD2 ASN 133 6.231 4.274 10.033 851 H ASP 134 H ASP 134 10.354 7.369 13.018 852 HA ASP 134 HA ASP 134 11.389 6.358 10.452 853 HB2 ASP 134 2HB ASP 134 12.351 8.501 10.918 854 HB3 ASP 134 3HB ASP 134 12.709 8.044 12.581 855 H GLU 135 H GLU 135 13.177 6.416 13.456 856 HA GLU 135 HA GLU 135 12.686 3.825 14.366 857 HB2 GLU 135 2HB GLU 135 14.433 3.974 12.046 858 HB3 GLU 135 3HB GLU 135 15.238 3.236 13.423 859 HG2 GLU 135 2HG GLU 135 12.931 1.905 13.531 860 HG3 GLU 135 3HG GLU 135 12.965 2.265 11.806 861 H HIS 136 H HIS 136 13.116 4.245 16.428 862 HA HIS 136 HA HIS 136 15.704 5.492 17.086 863 HB2 HIS 136 2HB HIS 136 12.974 5.956 18.242 864 HB3 HIS 136 3HB HIS 136 14.408 6.232 19.225 865 HD1 HIS 136 HD1 HIS 136 13.720 7.150 15.595 866 HD2 HIS 136 HD2 HIS 136 14.742 8.915 19.215 867 HE1 HIS 136 HE1 HIS 136 14.093 9.582 15.076 868 HA PRO 137 HA PRO 137 16.648 2.097 19.696 869 HB2 PRO 137 2HB PRO 137 17.799 3.291 21.846 870 HB3 PRO 137 3HB PRO 137 18.588 3.187 20.268 871 HG2 PRO 137 2HG PRO 137 17.096 5.475 21.493 872 HG3 PRO 137 3HG PRO 137 18.620 5.490 20.587 873 HD2 PRO 137 2HD PRO 137 16.252 6.170 19.465 874 HD3 PRO 137 3HD PRO 137 17.554 5.388 18.546 875 H CYS 138 H CYS 138 14.336 1.637 20.058 876 HA CYS 138 HA CYS 138 13.420 2.399 22.747 877 HB2 CYS 138 2HB CYS 138 11.349 2.610 21.911 878 HB3 CYS 138 3HB CYS 138 12.084 2.495 20.317 879 HG CYS 138 HG CYS 138 10.994 -0.251 22.035 880 H TYR 139 H TYR 139 12.899 0.865 24.247 881 HA TYR 139 HA TYR 139 12.461 -1.852 23.771 882 HB2 TYR 139 2HB TYR 139 15.170 -1.183 23.480 883 HB3 TYR 139 3HB TYR 139 15.046 -1.942 25.063 884 HD1 TYR 139 HD1 TYR 139 12.816 -3.872 24.475 885 HD2 TYR 139 HD2 TYR 139 16.299 -2.847 22.257 886 HE1 TYR 139 HE1 TYR 139 12.785 -6.090 23.413 887 HE2 TYR 139 HE2 TYR 139 16.277 -5.061 21.187 888 HH TYR 139 HH TYR 139 14.829 -7.608 22.263 889 H ARG 140 H ARG 140 13.588 -3.008 26.037 890 HA ARG 140 HA ARG 140 11.965 -1.768 28.097 891 HB2 ARG 140 2HB ARG 140 13.253 -4.421 27.699 892 HB3 ARG 140 3HB ARG 140 12.968 -3.898 29.354 893 HG2 ARG 140 2HG ARG 140 11.130 -5.254 28.578 894 HG3 ARG 140 3HG ARG 140 10.589 -3.593 28.832 895 HD2 ARG 140 2HD ARG 140 10.244 -3.221 26.616 896 HD3 ARG 140 3HD ARG 140 11.551 -4.297 26.122 897 HE ARG 140 HE ARG 140 9.263 -5.632 27.263 898 HH11 ARG 140 1HH1 ARG 140 10.760 -4.427 24.360 899 HH12 ARG 140 2HH1 ARG 140 9.875 -5.482 23.310 900 HH21 ARG 140 1HH2 ARG 140 8.090 -7.026 25.890 901 HH22 ARG 140 2HH2 ARG 140 8.355 -6.959 24.180 902 H LYS 141 H LYS 141 14.828 -3.519 28.981 903 HA LYS 141 HA LYS 141 15.744 -1.245 30.537 904 HB2 LYS 141 2HB LYS 141 17.178 -3.873 30.421 905 HB3 LYS 141 3HB LYS 141 17.029 -2.748 31.764 906 HG2 LYS 141 2HG LYS 141 14.697 -3.376 32.054 907 HG3 LYS 141 3HG LYS 141 14.813 -4.476 30.679 908 HD2 LYS 141 2HD LYS 141 16.907 -5.287 32.240 909 HD3 LYS 141 3HD LYS 141 15.707 -4.816 33.447 910 HE2 LYS 141 2HE LYS 141 14.777 -6.816 33.139 911 HE3 LYS 141 3HE LYS 141 14.253 -6.234 31.559 912 HZ1 LYS 141 1HZ LYS 141 15.594 -8.403 31.699 913 HZ2 LYS 141 2HZ LYS 141 16.939 -7.399 31.903 914 HZ3 LYS 141 3HZ LYS 141 16.002 -7.281 30.500 915 H GLU 142 H GLU 142 15.969 -1.388 27.541 916 HA GLU 142 HA GLU 142 18.359 -0.036 27.206 917 HB2 GLU 142 2HB GLU 142 18.694 -2.913 27.289 918 HB3 GLU 142 3HB GLU 142 19.205 -2.260 25.739 919 HG2 GLU 142 2HG GLU 142 20.924 -1.062 26.647 920 HG3 GLU 142 3HG GLU 142 20.136 -0.913 28.217 921 H GLY 143 H GLY 143 17.496 1.245 25.689 922 HA2 GLY 143 2HA GLY 143 15.564 0.678 23.829 923 HA3 GLY 143 3HA GLY 143 16.803 1.902 23.596 924 H GLY 144 H GLY 144 15.605 0.318 21.542 925 HA2 GLY 144 2HA GLY 144 18.050 -0.832 20.433 926 HA3 GLY 144 3HA GLY 144 16.663 -1.902 20.569 927 H VAL 145 H VAL 145 17.850 -1.361 18.126 928 HA VAL 145 HA VAL 145 16.814 0.738 16.637 929 HB VAL 145 HB VAL 145 17.025 -0.857 14.659 930 HG11 VAL 145 1HG1 VAL 145 18.849 0.640 15.931 931 HG12 VAL 145 2HG1 VAL 145 19.598 -0.947 16.109 932 HG13 VAL 145 3HG1 VAL 145 19.219 -0.324 14.503 933 HG21 VAL 145 1HG2 VAL 145 17.416 -3.036 14.953 934 HG22 VAL 145 2HG2 VAL 145 18.632 -2.734 16.194 935 HG23 VAL 145 3HG2 VAL 145 16.923 -2.787 16.628 936 H VAL 146 H VAL 146 14.675 1.194 17.037 937 HA VAL 146 HA VAL 146 12.755 -0.676 15.847 938 HB VAL 146 HB VAL 146 12.194 0.748 18.447 939 HG11 VAL 146 1HG1 VAL 146 10.382 -1.142 18.413 940 HG12 VAL 146 2HG1 VAL 146 10.134 0.350 17.504 941 HG13 VAL 146 3HG1 VAL 146 10.675 -1.109 16.675 942 HG21 VAL 146 1HG2 VAL 146 12.203 -1.892 19.077 943 HG22 VAL 146 2HG2 VAL 146 13.525 -1.815 17.913 944 HG23 VAL 146 3HG2 VAL 146 13.557 -0.796 19.352 945 H SER 147 H SER 147 10.806 0.308 15.102 946 HA SER 147 HA SER 147 11.160 2.773 13.834 947 HB2 SER 147 2HB SER 147 8.467 2.552 13.824 948 HB3 SER 147 3HB SER 147 9.516 1.627 12.749 949 HG SER 147 HG SER 147 8.219 0.805 15.110 950 H CYS 148 H CYS 148 10.540 4.841 14.289 951 HA CYS 148 HA CYS 148 9.317 5.327 16.922 952 HB2 CYS 148 2HB CYS 148 11.468 5.989 17.410 953 HB3 CYS 148 3HB CYS 148 11.816 6.456 15.750 954 HG CYS 148 HG CYS 148 10.615 8.894 15.840 955 H ASP 149 H ASP 149 7.389 6.204 16.593 956 HA ASP 149 HA ASP 149 6.957 7.903 14.248 957 HB2 ASP 149 2HB ASP 149 4.574 7.483 15.800 958 HB3 ASP 149 3HB ASP 149 4.932 6.960 14.156 959 H CYS 150 H CYS 150 5.440 9.792 14.598 960 HA CYS 150 HA CYS 150 6.441 11.342 16.863 961 HB2 CYS 150 2HB CYS 150 5.317 13.256 15.596 962 HB3 CYS 150 3HB CYS 150 6.711 12.506 14.826 963 H LYS 151 H LYS 151 5.229 11.886 18.560 964 HA LYS 151 HA LYS 151 2.368 12.122 18.395 965 HB2 LYS 151 2HB LYS 151 3.652 9.790 19.792 966 HB3 LYS 151 3HB LYS 151 2.102 10.422 20.331 967 HG2 LYS 151 2HG LYS 151 1.192 9.020 18.867 968 HG3 LYS 151 3HG LYS 151 1.742 10.142 17.621 969 HD2 LYS 151 2HD LYS 151 3.760 8.885 17.296 970 HD3 LYS 151 3HD LYS 151 3.391 7.848 18.676 971 HE2 LYS 151 2HE LYS 151 1.185 7.802 16.868 972 HE3 LYS 151 3HE LYS 151 2.666 7.491 15.964 973 HZ1 LYS 151 1HZ LYS 151 2.428 5.408 16.675 974 HZ2 LYS 151 2HZ LYS 151 1.303 5.828 17.866 975 HZ3 LYS 151 3HZ LYS 151 2.959 5.963 18.182 976 H THR 152 H THR 152 3.787 11.062 21.366 977 HA THR 152 HA THR 152 3.323 13.680 22.533 978 HB THR 152 HB THR 152 4.168 12.363 24.648 979 HG1 THR 152 HG1 THR 152 3.260 10.209 23.029 980 HG21 THR 152 1HG2 THR 152 1.827 13.166 24.081 981 HG22 THR 152 2HG2 THR 152 1.932 11.763 25.146 982 HG23 THR 152 3HG2 THR 152 1.532 11.550 23.442 983 H ILE 153 H ILE 153 5.562 13.269 20.661 984 HA ILE 153 HA ILE 153 8.055 12.968 21.595 985 HB ILE 153 HB ILE 153 7.783 13.689 19.348 986 HG12 ILE 153 2HG1 ILE 153 9.108 16.101 20.532 987 HG13 ILE 153 3HG1 ILE 153 9.814 14.511 20.796 988 HG21 ILE 153 1HG2 ILE 153 5.771 15.053 19.698 989 HG22 ILE 153 2HG2 ILE 153 6.767 16.320 20.413 990 HG23 ILE 153 3HG2 ILE 153 6.974 15.889 18.716 991 HD11 ILE 153 1HD1 ILE 153 10.276 14.212 18.540 992 HD12 ILE 153 2HD1 ILE 153 9.141 15.467 18.043 993 HD13 ILE 153 3HD1 ILE 153 10.656 15.909 18.829 994 H THR 154 H THR 154 9.643 14.221 22.639 995 HA THR 154 HA THR 154 8.638 15.792 24.822 996 HB THR 154 HB THR 154 10.776 15.713 25.734 997 HG1 THR 154 HG1 THR 154 11.570 15.918 23.091 998 HG21 THR 154 1HG2 THR 154 11.410 13.472 25.665 999 HG22 THR 154 2HG2 THR 154 11.021 13.314 23.952 1000 HG23 THR 154 3HG2 THR 154 9.726 13.421 25.144 1001 H CYS 155 H CYS 155 10.142 17.826 25.350 1002 HA CYS 155 HA CYS 155 9.504 19.751 23.308 1003 HB2 CYS 155 2HB CYS 155 11.139 20.434 25.719 1004 HB3 CYS 155 3HB CYS 155 9.892 21.379 24.912 1005 H ASN 156 H ASN 156 11.334 21.574 23.106 1006 HA ASN 156 HA ASN 156 13.247 20.612 21.362 1007 HB2 ASN 156 2HB ASN 156 13.666 23.086 23.034 1008 HB3 ASN 156 3HB ASN 156 14.214 22.780 21.388 1009 HD21 ASN 156 1HD2 ASN 156 12.156 22.034 19.996 1010 HD22 ASN 156 2HD2 ASN 156 10.864 23.180 20.048 1011 H GLU 157 H GLU 157 15.554 20.435 21.530 1012 HA GLU 157 HA GLU 157 16.487 18.759 23.485 1013 HB2 GLU 157 2HB GLU 157 18.126 20.792 21.960 1014 HB3 GLU 157 3HB GLU 157 18.754 19.362 22.767 1015 HG2 GLU 157 2HG GLU 157 18.607 18.454 20.727 1016 HG3 GLU 157 3HG GLU 157 16.912 18.232 21.160 1017 H ASP 158 H ASP 158 16.329 22.254 23.536 1018 HA ASP 158 HA ASP 158 18.033 22.797 25.674 1019 HB2 ASP 158 2HB ASP 158 15.508 24.190 24.771 1020 HB3 ASP 158 3HB ASP 158 16.578 24.831 26.015 1021 H HIS 159 H HIS 159 15.317 20.888 25.688 1022 HA HIS 159 HA HIS 159 15.371 20.428 28.453 1023 HB2 HIS 159 2HB HIS 159 12.912 21.304 28.785 1024 HB3 HIS 159 3HB HIS 159 14.282 22.391 28.998 1025 HD1 HIS 159 HD1 HIS 159 12.824 21.386 25.659 1026 HD2 HIS 159 HD2 HIS 159 13.087 24.707 28.142 1027 HE1 HIS 159 HE1 HIS 159 11.924 23.308 24.310 1028 HA PRO 160 HA PRO 160 13.454 17.091 25.998 1029 HB2 PRO 160 2HB PRO 160 14.548 15.097 27.480 1030 HB3 PRO 160 3HB PRO 160 15.413 15.903 26.167 1031 HG2 PRO 160 2HG PRO 160 15.593 16.366 29.119 1032 HG3 PRO 160 3HG PRO 160 16.896 16.277 27.919 1033 HD2 PRO 160 2HD PRO 160 15.946 18.629 28.866 1034 HD3 PRO 160 3HD PRO 160 16.563 18.445 27.212 1035 H CYS 161 H CYS 161 11.329 17.192 26.550 1036 HA CYS 161 HA CYS 161 10.465 15.647 28.823 1037 HB2 CYS 161 2HB CYS 161 9.026 17.469 29.742 1038 HB3 CYS 161 3HB CYS 161 10.750 17.761 29.947 1039 H TYR 162 H TYR 162 8.780 14.487 28.184 1040 HA TYR 162 HA TYR 162 7.628 14.481 25.728 1041 HB2 TYR 162 2HB TYR 162 5.856 13.150 26.626 1042 HB3 TYR 162 3HB TYR 162 7.303 12.778 27.557 1043 HD1 TYR 162 HD1 TYR 162 3.897 13.479 27.793 1044 HD2 TYR 162 HD2 TYR 162 7.594 14.322 29.723 1045 HE1 TYR 162 HE1 TYR 162 2.687 14.003 29.869 1046 HE2 TYR 162 HE2 TYR 162 6.394 14.846 31.805 1047 HH TYR 162 HH TYR 162 3.985 14.078 32.785 1048 H HIS 163 H HIS 163 6.150 15.620 24.625 1049 HA HIS 163 HA HIS 163 5.434 18.195 25.290 1050 HB2 HIS 163 2HB HIS 163 4.411 16.196 23.338 1051 HB3 HIS 163 3HB HIS 163 3.422 17.624 23.629 1052 HD1 HIS 163 HD1 HIS 163 7.108 18.033 23.777 1053 HD2 HIS 163 HD2 HIS 163 4.043 18.526 21.016 1054 HE1 HIS 163 HE1 HIS 163 8.108 19.366 21.893 1055 H SER 164 H SER 164 3.064 15.534 25.172 1056 HA SER 164 HA SER 164 1.992 16.217 27.752 1057 HB2 SER 164 2HB SER 164 1.033 17.866 25.939 1058 HB3 SER 164 3HB SER 164 0.016 16.489 25.516 1059 HG SER 164 HG SER 164 0.258 17.391 28.181 1060 H TYR 165 H TYR 165 -0.666 15.155 26.988 1061 HA TYR 165 HA TYR 165 0.046 12.357 26.423 1062 HB2 TYR 165 2HB TYR 165 -1.622 11.664 28.141 1063 HB3 TYR 165 3HB TYR 165 -0.234 12.509 28.816 1064 HD1 TYR 165 HD1 TYR 165 -0.491 14.943 29.449 1065 HD2 TYR 165 HD2 TYR 165 -3.812 12.467 28.478 1066 HE1 TYR 165 HE1 TYR 165 -1.998 16.537 30.562 1067 HE2 TYR 165 HE2 TYR 165 -5.328 14.055 29.586 1068 HH TYR 165 HH TYR 165 -5.105 15.823 31.439 1069 H GLU 166 H GLU 166 -1.001 11.683 24.684 1070 HA GLU 166 HA GLU 166 -3.817 11.944 24.390 1071 HB2 GLU 166 2HB GLU 166 -2.294 14.099 23.388 1072 HB3 GLU 166 3HB GLU 166 -2.806 13.163 21.991 1073 HG2 GLU 166 2HG GLU 166 -4.924 13.825 22.180 1074 HG3 GLU 166 3HG GLU 166 -4.938 13.593 23.927 1075 H GLU 167 H GLU 167 -4.363 11.327 21.926 1076 HA GLU 167 HA GLU 167 -2.555 9.121 21.187 1077 HB2 GLU 167 2HB GLU 167 -5.570 9.147 21.289 1078 HB3 GLU 167 3HB GLU 167 -4.654 7.918 20.429 1079 HG2 GLU 167 2HG GLU 167 -4.989 6.868 22.422 1080 HG3 GLU 167 3HG GLU 167 -3.439 7.648 22.731 1081 H ASP 168 H ASP 168 -1.595 10.559 19.651 1082 HA ASP 168 HA ASP 168 -2.930 10.483 17.099 1083 HB2 ASP 168 2HB ASP 168 -2.651 13.010 18.636 1084 HB3 ASP 168 3HB ASP 168 -2.273 13.079 16.917 1085 H GLY 169 H GLY 169 -1.477 10.141 15.534 1086 HA2 GLY 169 2HA GLY 169 1.073 11.346 15.399 1087 HA3 GLY 169 3HA GLY 169 1.232 9.734 16.081 1088 H VAL 170 H VAL 170 2.107 8.537 14.509 1089 HA VAL 170 HA VAL 170 1.850 8.907 11.769 1090 HB VAL 170 HB VAL 170 3.596 7.497 12.631 1091 HG11 VAL 170 1HG1 VAL 170 3.331 5.721 14.013 1092 HG12 VAL 170 2HG1 VAL 170 1.835 6.566 14.419 1093 HG13 VAL 170 3HG1 VAL 170 1.811 5.228 13.269 1094 HG21 VAL 170 1HG2 VAL 170 3.620 6.349 10.729 1095 HG22 VAL 170 2HG2 VAL 170 2.323 5.296 11.295 1096 HG23 VAL 170 3HG2 VAL 170 1.937 6.810 10.477 1097 H THR 171 H THR 171 -0.056 9.028 10.757 1098 HA THR 171 HA THR 171 -1.876 6.735 10.995 1099 HB THR 171 HB THR 171 -3.078 9.444 10.631 1100 HG1 THR 171 HG1 THR 171 -2.607 8.362 13.215 1101 HG21 THR 171 1HG2 THR 171 -4.674 7.775 10.424 1102 HG22 THR 171 2HG2 THR 171 -4.817 8.209 12.128 1103 HG23 THR 171 3HG2 THR 171 -3.924 6.763 11.658 1104 H LYS 172 H LYS 172 -2.888 6.121 9.119 1105 HA LYS 172 HA LYS 172 -1.670 6.657 6.682 1106 HB2 LYS 172 2HB LYS 172 -3.707 4.975 7.610 1107 HB3 LYS 172 3HB LYS 172 -4.449 5.922 6.327 1108 HG2 LYS 172 2HG LYS 172 -2.568 5.267 4.839 1109 HG3 LYS 172 3HG LYS 172 -1.989 4.201 6.122 1110 HD2 LYS 172 2HD LYS 172 -3.265 2.663 5.084 1111 HD3 LYS 172 3HD LYS 172 -4.585 3.442 5.960 1112 HE2 LYS 172 2HE LYS 172 -3.699 4.088 3.149 1113 HE3 LYS 172 3HE LYS 172 -5.125 3.149 3.591 1114 HZ1 LYS 172 1HZ LYS 172 -4.632 6.017 4.176 1115 HZ2 LYS 172 2HZ LYS 172 -5.942 5.138 4.784 1116 HZ3 LYS 172 3HZ LYS 172 -5.787 5.379 3.117 1117 H SER 173 H SER 173 -1.587 8.528 5.638 1118 HA SER 173 HA SER 173 -2.142 10.590 4.834 1119 HB2 SER 173 2HB SER 173 -3.553 9.139 3.402 1120 HB3 SER 173 3HB SER 173 -4.873 9.311 4.559 1121 HG SER 173 HG SER 173 -4.895 11.533 4.122 1122 H ASP 174 H ASP 174 -2.211 10.415 7.635 1123 HA ASP 174 HA ASP 174 -4.421 11.271 8.990 1124 HB2 ASP 174 2HB ASP 174 -1.904 10.900 9.733 1125 HB3 ASP 174 3HB ASP 174 -1.843 12.655 9.587 1126 H CYS 175 H CYS 175 -1.992 13.472 7.575 1127 HA CYS 175 HA CYS 175 -4.140 15.462 7.247 1128 HB2 CYS 175 2HB CYS 175 -1.626 15.671 8.672 1129 HB3 CYS 175 3HB CYS 175 -1.729 16.877 7.395 1130 HG CYS 175 HG CYS 175 -4.366 17.679 8.381 1131 H ASP 176 H ASP 176 -1.870 13.541 5.736 1132 HA ASP 176 HA ASP 176 -0.905 13.501 3.666 1133 HB2 ASP 176 2HB ASP 176 -3.553 13.651 3.352 1134 HB3 ASP 176 3HB ASP 176 -3.114 15.160 2.557 1135 H CYS 177 H CYS 177 -0.146 15.730 5.360 1136 HA CYS 177 HA CYS 177 0.629 17.642 3.259 1137 HB2 CYS 177 2HB CYS 177 -0.886 18.160 5.619 1138 HB3 CYS 177 3HB CYS 177 0.684 18.934 5.799 1139 HG CYS 177 HG CYS 177 -0.258 21.043 4.656 1140 H GLU 178 H GLU 178 2.531 19.065 4.180 1141 HA GLU 178 HA GLU 178 4.794 17.519 4.320 1142 HB2 GLU 178 2HB GLU 178 4.307 20.295 5.401 1143 HB3 GLU 178 3HB GLU 178 5.900 19.556 5.327 1144 HG2 GLU 178 2HG GLU 178 4.098 20.250 3.024 1145 HG3 GLU 178 3HG GLU 178 5.649 20.978 3.436 1146 H HIS 179 H HIS 179 5.088 15.917 5.743 1147 HA HIS 179 HA HIS 179 4.336 16.259 8.531 1148 HB2 HIS 179 2HB HIS 179 5.293 13.923 6.894 1149 HB3 HIS 179 3HB HIS 179 5.230 13.839 8.652 1150 HD1 HIS 179 HD1 HIS 179 2.460 15.846 7.864 1151 HD2 HIS 179 HD2 HIS 179 3.248 11.784 7.494 1152 HE1 HIS 179 HE1 HIS 179 0.209 14.737 7.701 1153 H SER 180 H SER 180 6.168 14.795 9.889 1154 HA SER 180 HA SER 180 8.113 16.525 10.641 1155 HB2 SER 180 2HB SER 180 8.106 13.512 10.636 1156 HB3 SER 180 3HB SER 180 9.452 14.427 11.316 1157 HG SER 180 HG SER 180 7.717 13.823 12.812 1158 HA PRO 181 HA PRO 181 11.211 16.830 7.550 1159 HB2 PRO 181 2HB PRO 181 13.464 17.052 9.048 1160 HB3 PRO 181 3HB PRO 181 12.268 18.346 8.915 1161 HG2 PRO 181 2HG PRO 181 12.638 16.326 11.092 1162 HG3 PRO 181 3HG PRO 181 12.303 18.062 11.222 1163 HD2 PRO 181 2HD PRO 181 10.377 16.181 11.510 1164 HD3 PRO 181 3HD PRO 181 10.050 17.785 10.822 1165 H GLY 182 H GLY 182 13.757 15.979 7.409 1166 HA2 GLY 182 2HA GLY 182 13.433 13.146 6.978 1167 HA3 GLY 182 3HA GLY 182 14.850 14.109 6.584 1168 HA PRO 183 HA PRO 183 15.008 12.156 11.055 1169 HB2 PRO 183 2HB PRO 183 14.594 9.483 10.827 1170 HB3 PRO 183 3HB PRO 183 13.299 10.627 11.201 1171 HG2 PRO 183 2HG PRO 183 14.021 9.374 8.580 1172 HG3 PRO 183 3HG PRO 183 12.418 9.627 9.295 1173 HD2 PRO 183 2HD PRO 183 13.432 11.252 7.381 1174 HD3 PRO 183 3HD PRO 183 12.342 11.840 8.654 1175 H SER 184 H SER 184 16.285 9.754 11.495 1176 HA SER 184 HA SER 184 18.794 10.195 10.065 1177 HB2 SER 184 2HB SER 184 18.921 10.171 12.500 1178 HB3 SER 184 3HB SER 184 18.180 8.572 12.546 1179 HG SER 184 HG SER 184 20.410 8.364 12.714 1180 H GLU 185 H GLU 185 17.187 7.270 11.321 1181 HA GLU 185 HA GLU 185 18.424 5.513 9.522 1182 HB2 GLU 185 2HB GLU 185 15.764 5.148 10.911 1183 HB3 GLU 185 3HB GLU 185 16.770 3.873 10.237 1184 HG2 GLU 185 2HG GLU 185 17.765 5.690 12.402 1185 HG3 GLU 185 3HG GLU 185 16.837 4.235 12.756 Start of MODEL 7 1 H1 MET 1 H MET 1 3.141 -4.336 5.277 2 HA MET 1 HA MET 1 4.006 -4.113 2.762 3 HB2 MET 1 2HB MET 1 4.388 -2.506 4.707 4 HB3 MET 1 3HB MET 1 5.866 -3.404 5.025 5 HG2 MET 1 2HG MET 1 5.582 -2.573 2.245 6 HG3 MET 1 3HG MET 1 5.637 -1.232 3.386 7 HE1 MET 1 1HE MET 1 9.036 -2.795 1.416 8 HE2 MET 1 2HE MET 1 8.065 -4.215 1.805 9 HE3 MET 1 3HE MET 1 7.316 -2.821 1.026 10 H ALA 2 H ALA 2 5.381 -5.066 1.393 11 HA ALA 2 HA ALA 2 7.798 -6.324 2.156 12 HB1 ALA 2 1HB ALA 2 5.478 -7.937 2.424 13 HB2 ALA 2 2HB ALA 2 6.421 -8.551 1.066 14 HB3 ALA 2 3HB ALA 2 7.167 -8.389 2.656 15 H HIS 3 H HIS 3 9.043 -6.983 0.375 16 HA HIS 3 HA HIS 3 8.306 -5.728 -2.102 17 HB2 HIS 3 2HB HIS 3 10.648 -5.817 -1.108 18 HB3 HIS 3 3HB HIS 3 10.704 -7.499 -1.629 19 HD1 HIS 3 HD1 HIS 3 10.329 -7.825 -4.316 20 HD2 HIS 3 HD2 HIS 3 11.437 -4.043 -3.003 21 HE1 HIS 3 HE1 HIS 3 11.203 -6.636 -6.352 22 H GLU 4 H GLU 4 6.727 -6.744 -3.211 23 HA GLU 4 HA GLU 4 7.330 -9.390 -4.261 24 HB2 GLU 4 2HB GLU 4 5.879 -9.571 -2.142 25 HB3 GLU 4 3HB GLU 4 4.594 -8.879 -3.121 26 HG2 GLU 4 2HG GLU 4 4.550 -11.354 -2.975 27 HG3 GLU 4 3HG GLU 4 4.633 -10.727 -4.620 28 H GLU 5 H GLU 5 5.774 -10.001 -6.019 29 HA GLU 5 HA GLU 5 4.780 -7.596 -7.403 30 HB2 GLU 5 2HB GLU 5 5.862 -10.028 -8.813 31 HB3 GLU 5 3HB GLU 5 5.536 -8.437 -9.486 32 HG2 GLU 5 2HG GLU 5 7.368 -7.507 -8.152 33 HG3 GLU 5 3HG GLU 5 7.707 -9.115 -7.515 34 H ASP 6 H ASP 6 3.236 -8.271 -9.254 35 HA ASP 6 HA ASP 6 1.254 -9.180 -9.908 36 HB2 ASP 6 2HB ASP 6 2.790 -11.366 -9.079 37 HB3 ASP 6 3HB ASP 6 1.232 -11.582 -8.285 38 H GLY 7 H GLY 7 -0.909 -9.317 -9.215 39 HA2 GLY 7 2HA GLY 7 -2.691 -9.043 -7.782 40 HA3 GLY 7 3HA GLY 7 -1.627 -9.500 -6.460 41 H VAL 8 H VAL 8 -3.470 -7.599 -5.974 42 HA VAL 8 HA VAL 8 -1.996 -5.052 -6.101 43 HB VAL 8 HB VAL 8 -4.943 -5.509 -5.618 44 HG11 VAL 8 1HG1 VAL 8 -3.253 -3.272 -5.050 45 HG12 VAL 8 2HG1 VAL 8 -4.402 -2.837 -6.317 46 HG13 VAL 8 3HG1 VAL 8 -4.984 -3.457 -4.772 47 HG21 VAL 8 1HG2 VAL 8 -4.138 -3.956 -7.951 48 HG22 VAL 8 2HG2 VAL 8 -3.589 -5.631 -8.005 49 HG23 VAL 8 3HG2 VAL 8 -5.305 -5.272 -7.813 50 H CYS 9 H CYS 9 -0.688 -5.302 -4.305 51 HA CYS 9 HA CYS 9 -1.947 -4.774 -1.775 52 HB2 CYS 9 2HB CYS 9 -0.623 -6.733 -0.703 53 HB3 CYS 9 3HB CYS 9 -2.161 -7.077 -1.486 54 HG CYS 9 HG CYS 9 0.462 -8.714 -1.926 55 H ASN 10 H ASN 10 -0.103 -4.830 0.004 56 HA ASN 10 HA ASN 10 2.260 -3.537 -1.192 57 HB2 ASN 10 2HB ASN 10 1.760 -1.733 0.031 58 HB3 ASN 10 3HB ASN 10 0.397 -2.571 0.767 59 HD21 ASN 10 1HD2 ASN 10 0.760 -3.776 2.691 60 HD22 ASN 10 2HD2 ASN 10 2.072 -3.375 3.741 61 H SER 11 H SER 11 1.081 -5.986 0.890 62 HA SER 11 HA SER 11 3.630 -6.380 2.231 63 HB2 SER 11 2HB SER 11 2.418 -8.326 3.298 64 HB3 SER 11 3HB SER 11 1.703 -6.743 3.606 65 HG SER 11 HG SER 11 0.102 -7.187 2.148 66 H ASN 12 H ASN 12 1.994 -9.272 1.585 67 HA ASN 12 HA ASN 12 3.787 -9.917 -0.655 68 HB2 ASN 12 2HB ASN 12 4.352 -10.803 1.809 69 HB3 ASN 12 3HB ASN 12 3.214 -12.058 1.328 70 HD21 ASN 12 1HD2 ASN 12 6.387 -11.152 1.327 71 HD22 ASN 12 2HD2 ASN 12 6.976 -12.191 0.079 72 H ALA 13 H ALA 13 0.694 -9.667 0.374 73 HA ALA 13 HA ALA 13 -0.433 -10.906 -1.864 74 HB1 ALA 13 1HB ALA 13 -1.649 -12.641 -0.100 75 HB2 ALA 13 2HB ALA 13 -0.406 -13.058 -1.280 76 HB3 ALA 13 3HB ALA 13 0.047 -12.686 0.383 77 HA PRO 14 HA PRO 14 -3.996 -9.765 1.178 78 HB2 PRO 14 2HB PRO 14 -3.328 -9.165 3.740 79 HB3 PRO 14 3HB PRO 14 -3.697 -10.808 3.204 80 HG2 PRO 14 2HG PRO 14 -1.034 -9.507 3.629 81 HG3 PRO 14 3HG PRO 14 -1.569 -11.136 4.081 82 HD2 PRO 14 2HD PRO 14 -0.058 -10.656 1.886 83 HD3 PRO 14 3HD PRO 14 -1.254 -11.967 1.954 84 H CYS 15 H CYS 15 -4.597 -7.714 2.577 85 HA CYS 15 HA CYS 15 -3.980 -5.454 1.149 86 HB2 CYS 15 2HB CYS 15 -4.849 -5.741 4.025 87 HB3 CYS 15 3HB CYS 15 -4.735 -4.184 3.214 88 HG CYS 15 HG CYS 15 -7.422 -4.959 3.315 89 H TYR 16 H TYR 16 -2.856 -5.799 4.505 90 HA TYR 16 HA TYR 16 -0.157 -5.047 3.714 91 HB2 TYR 16 2HB TYR 16 -1.353 -3.454 5.938 92 HB3 TYR 16 3HB TYR 16 -0.036 -3.041 4.846 93 HD1 TYR 16 HD1 TYR 16 -3.605 -2.878 5.428 94 HD2 TYR 16 HD2 TYR 16 -0.549 -2.295 2.526 95 HE1 TYR 16 HE1 TYR 16 -5.162 -1.549 4.064 96 HE2 TYR 16 HE2 TYR 16 -2.098 -0.964 1.154 97 HH TYR 16 HH TYR 16 -5.170 0.076 2.335 98 H HIS 17 H HIS 17 1.277 -4.939 5.751 99 HA HIS 17 HA HIS 17 1.277 -7.418 7.000 100 HB2 HIS 17 2HB HIS 17 3.081 -5.453 6.826 101 HB3 HIS 17 3HB HIS 17 2.508 -5.138 8.461 102 HD1 HIS 17 HD1 HIS 17 3.151 -6.814 10.283 103 HD2 HIS 17 HD2 HIS 17 4.472 -7.888 6.493 104 HE1 HIS 17 HE1 HIS 17 4.768 -8.706 10.646 105 H CYS 18 H CYS 18 1.624 -7.122 9.686 106 HA CYS 18 HA CYS 18 -1.118 -6.595 10.568 107 HB2 CYS 18 2HB CYS 18 0.286 -8.801 10.973 108 HB3 CYS 18 3HB CYS 18 0.920 -7.882 12.333 109 HG CYS 18 HG CYS 18 -1.082 -8.224 13.912 110 H ASP 19 H ASP 19 -0.987 -6.074 13.144 111 HA ASP 19 HA ASP 19 -0.086 -3.376 13.250 112 HB2 ASP 19 2HB ASP 19 -1.238 -5.238 15.327 113 HB3 ASP 19 3HB ASP 19 -0.779 -3.577 15.693 114 H ALA 20 H ALA 20 0.549 -5.227 16.091 115 HA ALA 20 HA ALA 20 2.981 -4.191 16.709 116 HB1 ALA 20 1HB ALA 20 1.607 -5.710 18.138 117 HB2 ALA 20 2HB ALA 20 2.262 -7.070 17.225 118 HB3 ALA 20 3HB ALA 20 3.338 -6.043 18.172 119 H ASN 21 H ASN 21 2.351 -6.920 14.560 120 HA ASN 21 HA ASN 21 5.096 -7.583 14.165 121 HB2 ASN 21 2HB ASN 21 2.984 -8.243 12.146 122 HB3 ASN 21 3HB ASN 21 4.343 -9.218 12.698 123 HD21 ASN 21 1HD2 ASN 21 1.403 -7.705 13.986 124 HD22 ASN 21 2HD2 ASN 21 0.950 -9.040 14.986 125 H GLY 22 H GLY 22 2.732 -5.645 12.377 126 HA2 GLY 22 2HA GLY 22 4.059 -5.124 10.041 127 HA3 GLY 22 3HA GLY 22 3.064 -3.936 10.869 128 H GLU 23 H GLU 23 4.604 -3.539 13.166 129 HA GLU 23 HA GLU 23 6.738 -1.921 12.037 130 HB2 GLU 23 2HB GLU 23 6.925 -1.134 14.467 131 HB3 GLU 23 3HB GLU 23 5.455 -0.725 13.595 132 HG2 GLU 23 2HG GLU 23 5.370 -3.253 15.089 133 HG3 GLU 23 3HG GLU 23 5.512 -1.794 16.067 134 H ASN 24 H ASN 24 6.340 -4.881 13.745 135 HA ASN 24 HA ASN 24 8.866 -5.049 14.993 136 HB2 ASN 24 2HB ASN 24 8.088 -7.019 15.745 137 HB3 ASN 24 3HB ASN 24 6.586 -6.615 14.918 138 HD21 ASN 24 1HD2 ASN 24 8.732 -8.992 15.344 139 HD22 ASN 24 2HD2 ASN 24 8.558 -9.843 13.851 140 H CYS 25 H CYS 25 7.749 -5.781 11.754 141 HA CYS 25 HA CYS 25 10.418 -6.769 11.037 142 HB2 CYS 25 2HB CYS 25 7.816 -7.593 10.309 143 HB3 CYS 25 3HB CYS 25 8.537 -6.892 8.865 144 HG CYS 25 HG CYS 25 9.030 -9.543 8.578 145 H SER 26 H SER 26 7.902 -4.551 9.839 146 HA SER 26 HA SER 26 9.995 -2.739 8.915 147 HB2 SER 26 2HB SER 26 9.201 -2.578 6.685 148 HB3 SER 26 3HB SER 26 9.300 -4.306 7.019 149 HG SER 26 HG SER 26 7.267 -4.380 6.540 150 H CYS 27 H CYS 27 9.516 -0.929 9.967 151 HA CYS 27 HA CYS 27 6.953 -0.258 10.931 152 HB2 CYS 27 2HB CYS 27 9.276 1.620 10.465 153 HB3 CYS 27 3HB CYS 27 7.928 1.864 11.569 154 HG CYS 27 HG CYS 27 8.669 -0.277 13.248 155 H ASN 28 H ASN 28 5.879 -0.679 8.779 156 HA ASN 28 HA ASN 28 5.042 1.779 7.659 157 HB2 ASN 28 2HB ASN 28 7.218 1.599 6.498 158 HB3 ASN 28 3HB ASN 28 6.727 0.039 5.845 159 HD21 ASN 28 1HD2 ASN 28 4.799 2.964 6.235 160 HD22 ASN 28 2HD2 ASN 28 4.481 3.194 4.553 161 H CYS 29 H CYS 29 3.716 -0.334 8.837 162 HA CYS 29 HA CYS 29 1.669 -0.851 6.985 163 HB2 CYS 29 2HB CYS 29 2.069 -3.468 7.165 164 HB3 CYS 29 3HB CYS 29 2.784 -2.517 5.869 165 HG CYS 29 HG CYS 29 4.275 -4.070 8.460 166 H GLU 30 H GLU 30 -0.159 -1.706 7.961 167 HA GLU 30 HA GLU 30 -0.070 -2.956 10.535 168 HB2 GLU 30 2HB GLU 30 -1.414 -1.147 11.667 169 HB3 GLU 30 3HB GLU 30 0.276 -0.758 11.376 170 HG2 GLU 30 2HG GLU 30 -0.291 1.047 10.240 171 HG3 GLU 30 3HG GLU 30 -1.276 0.088 9.137 172 H LEU 31 H LEU 31 -1.370 -4.539 9.705 173 HA LEU 31 HA LEU 31 -4.173 -3.826 9.357 174 HB2 LEU 31 2HB LEU 31 -2.840 -3.963 7.113 175 HB3 LEU 31 3HB LEU 31 -2.968 -5.702 7.370 176 HG LEU 31 HG LEU 31 -4.696 -4.824 5.851 177 HD11 LEU 31 1HD1 LEU 31 -6.448 -6.095 6.720 178 HD12 LEU 31 2HD1 LEU 31 -6.028 -5.707 8.388 179 HD13 LEU 31 3HD1 LEU 31 -5.006 -6.799 7.453 180 HD21 LEU 31 1HD2 LEU 31 -4.807 -2.676 7.496 181 HD22 LEU 31 2HD2 LEU 31 -6.229 -3.576 8.026 182 HD23 LEU 31 3HD2 LEU 31 -6.062 -3.106 6.334 183 H PHE 32 H PHE 32 -5.235 -5.068 10.739 184 HA PHE 32 HA PHE 32 -4.239 -7.265 12.088 185 HB2 PHE 32 2HB PHE 32 -6.800 -7.822 12.335 186 HB3 PHE 32 3HB PHE 32 -6.122 -6.384 13.093 187 HD1 PHE 32 HD1 PHE 32 -8.192 -7.643 10.341 188 HD2 PHE 32 HD2 PHE 32 -6.696 -4.188 12.327 189 HE1 PHE 32 HE1 PHE 32 -9.822 -6.248 9.135 190 HE2 PHE 32 HE2 PHE 32 -8.323 -2.788 11.125 191 HZ PHE 32 HZ PHE 32 -9.889 -3.817 9.528 192 H ASP 33 H ASP 33 -3.261 -8.784 10.794 193 HA ASP 33 HA ASP 33 -5.091 -10.541 9.337 194 HB2 ASP 33 2HB ASP 33 -3.755 -10.645 7.378 195 HB3 ASP 33 3HB ASP 33 -3.949 -8.931 7.735 196 H CYS 34 H CYS 34 -3.594 -12.503 8.493 197 HA CYS 34 HA CYS 34 -1.440 -13.246 10.201 198 HB2 CYS 34 2HB CYS 34 -3.137 -13.590 11.864 199 HB3 CYS 34 3HB CYS 34 -4.157 -14.460 10.722 200 H GLU 35 H GLU 35 -0.192 -14.438 8.935 201 HA GLU 35 HA GLU 35 -1.018 -16.784 7.634 202 HB2 GLU 35 2HB GLU 35 -1.449 -14.347 6.144 203 HB3 GLU 35 3HB GLU 35 -0.283 -15.374 5.322 204 HG2 GLU 35 2HG GLU 35 -2.553 -16.890 6.270 205 HG3 GLU 35 3HG GLU 35 -3.042 -15.567 5.213 206 H ALA 36 H ALA 36 0.710 -17.877 6.583 207 HA ALA 36 HA ALA 36 3.325 -16.942 7.467 208 HB1 ALA 36 1HB ALA 36 2.148 -19.557 6.751 209 HB2 ALA 36 2HB ALA 36 3.865 -19.339 6.410 210 HB3 ALA 36 3HB ALA 36 3.259 -19.127 8.052 211 H LYS 37 H LYS 37 5.128 -16.777 6.095 212 HA LYS 37 HA LYS 37 4.936 -17.142 3.271 213 HB2 LYS 37 2HB LYS 37 3.758 -14.844 4.025 214 HB3 LYS 37 3HB LYS 37 5.420 -14.283 3.895 215 HG2 LYS 37 2HG LYS 37 4.901 -13.930 1.751 216 HG3 LYS 37 3HG LYS 37 5.147 -15.669 1.576 217 HD2 LYS 37 2HD LYS 37 2.504 -15.267 2.513 218 HD3 LYS 37 3HD LYS 37 2.769 -14.150 1.173 219 HE2 LYS 37 2HE LYS 37 3.150 -17.140 1.159 220 HE3 LYS 37 3HE LYS 37 1.910 -16.222 0.306 221 HZ1 LYS 37 1HZ LYS 37 4.333 -15.159 -0.485 222 HZ2 LYS 37 2HZ LYS 37 3.296 -16.129 -1.403 223 HZ3 LYS 37 3HZ LYS 37 4.549 -16.837 -0.514 224 H LYS 38 H LYS 38 6.932 -16.404 2.150 225 HA LYS 38 HA LYS 38 9.210 -15.705 3.761 226 HB2 LYS 38 2HB LYS 38 9.267 -18.011 4.306 227 HB3 LYS 38 3HB LYS 38 8.891 -18.489 2.656 228 HG2 LYS 38 2HG LYS 38 11.049 -17.997 1.899 229 HG3 LYS 38 3HG LYS 38 11.427 -17.041 3.334 230 HD2 LYS 38 2HD LYS 38 12.373 -18.863 4.197 231 HD3 LYS 38 3HD LYS 38 10.760 -19.574 4.300 232 HE2 LYS 38 2HE LYS 38 11.150 -20.230 1.831 233 HE3 LYS 38 3HE LYS 38 12.850 -19.920 2.179 234 HZ1 LYS 38 1HZ LYS 38 11.496 -22.249 2.648 235 HZ2 LYS 38 2HZ LYS 38 11.630 -21.547 4.181 236 HZ3 LYS 38 3HZ LYS 38 13.019 -21.837 3.260 237 HA PRO 39 HA PRO 39 9.788 -14.016 -0.366 238 HB2 PRO 39 2HB PRO 39 11.709 -12.248 0.380 239 HB3 PRO 39 3HB PRO 39 9.985 -11.958 0.638 240 HG2 PRO 39 2HG PRO 39 12.049 -12.951 2.566 241 HG3 PRO 39 3HG PRO 39 10.761 -11.758 2.821 242 HD2 PRO 39 2HD PRO 39 10.551 -14.328 3.649 243 HD3 PRO 39 3HD PRO 39 9.148 -13.377 3.120 244 H ASP 40 H ASP 40 12.612 -14.523 1.764 245 HA ASP 40 HA ASP 40 13.804 -16.529 0.241 246 HB2 ASP 40 2HB ASP 40 13.959 -14.157 -1.137 247 HB3 ASP 40 3HB ASP 40 15.501 -14.194 -0.286 248 H GLY 41 H GLY 41 13.409 -15.784 2.971 249 HA2 GLY 41 2HA GLY 41 16.195 -15.968 3.871 250 HA3 GLY 41 3HA GLY 41 15.179 -14.713 4.564 251 H SER 42 H SER 42 12.803 -15.964 4.951 252 HA SER 42 HA SER 42 13.021 -18.531 6.141 253 HB2 SER 42 2HB SER 42 13.782 -16.273 7.778 254 HB3 SER 42 3HB SER 42 12.361 -17.072 8.450 255 HG SER 42 HG SER 42 14.911 -17.875 8.501 256 H TYR 43 H TYR 43 11.024 -18.807 7.742 257 HA TYR 43 HA TYR 43 8.723 -17.680 6.303 258 HB2 TYR 43 2HB TYR 43 9.307 -20.310 7.502 259 HB3 TYR 43 3HB TYR 43 7.676 -19.711 7.783 260 HD1 TYR 43 HD1 TYR 43 9.547 -21.701 5.688 261 HD2 TYR 43 HD2 TYR 43 6.634 -18.605 5.513 262 HE1 TYR 43 HE1 TYR 43 8.891 -22.454 3.441 263 HE2 TYR 43 HE2 TYR 43 5.968 -19.350 3.265 264 HH TYR 43 HH TYR 43 7.055 -20.623 1.353 265 H ALA 44 H ALA 44 7.357 -16.351 7.305 266 HA ALA 44 HA ALA 44 7.585 -16.081 10.232 267 HB1 ALA 44 1HB ALA 44 6.721 -13.964 8.266 268 HB2 ALA 44 2HB ALA 44 6.982 -13.760 9.999 269 HB3 ALA 44 3HB ALA 44 8.346 -14.112 8.938 270 H HIS 45 H HIS 45 5.362 -14.504 10.680 271 HA HIS 45 HA HIS 45 2.967 -15.343 9.530 272 HB2 HIS 45 2HB HIS 45 4.027 -17.462 10.855 273 HB3 HIS 45 3HB HIS 45 3.070 -16.728 12.138 274 HD1 HIS 45 HD1 HIS 45 2.529 -19.487 10.528 275 HD2 HIS 45 HD2 HIS 45 0.517 -15.875 10.119 276 HE1 HIS 45 HE1 HIS 45 0.275 -20.077 9.582 277 HA PRO 46 HA PRO 46 2.933 -11.894 12.680 278 HB2 PRO 46 2HB PRO 46 2.098 -9.976 10.950 279 HB3 PRO 46 3HB PRO 46 3.804 -10.369 11.199 280 HG2 PRO 46 2HG PRO 46 1.957 -11.244 9.011 281 HG3 PRO 46 3HG PRO 46 3.641 -10.700 8.903 282 HD2 PRO 46 2HD PRO 46 2.949 -13.317 8.837 283 HD3 PRO 46 3HD PRO 46 4.477 -12.751 9.541 284 H CYS 47 H CYS 47 1.167 -12.456 13.846 285 HA CYS 47 HA CYS 47 -1.458 -11.905 12.638 286 HB2 CYS 47 2HB CYS 47 -1.022 -14.144 14.608 287 HB3 CYS 47 3HB CYS 47 -2.430 -13.842 13.596 288 H ARG 48 H ARG 48 -2.889 -10.818 13.903 289 HA ARG 48 HA ARG 48 -2.096 -9.138 15.888 290 HB2 ARG 48 2HB ARG 48 -4.837 -10.402 15.843 291 HB3 ARG 48 3HB ARG 48 -4.402 -8.808 16.445 292 HG2 ARG 48 2HG ARG 48 -4.786 -7.924 14.456 293 HG3 ARG 48 3HG ARG 48 -3.604 -9.006 13.718 294 HD2 ARG 48 2HD ARG 48 -6.551 -9.451 14.111 295 HD3 ARG 48 3HD ARG 48 -5.648 -9.398 12.598 296 HE ARG 48 HE ARG 48 -4.638 -11.488 14.160 297 HH11 ARG 48 1HH1 ARG 48 -7.537 -10.619 12.440 298 HH12 ARG 48 2HH1 ARG 48 -7.989 -12.258 12.110 299 HH21 ARG 48 1HH2 ARG 48 -5.222 -13.651 13.731 300 HH22 ARG 48 2HH2 ARG 48 -6.672 -13.982 12.845 301 H ARG 49 H ARG 49 -4.523 -10.582 17.552 302 HA ARG 49 HA ARG 49 -2.876 -11.265 19.752 303 HB2 ARG 49 2HB ARG 49 -4.879 -11.843 20.888 304 HB3 ARG 49 3HB ARG 49 -5.278 -10.483 19.848 305 HG2 ARG 49 2HG ARG 49 -7.033 -11.746 19.271 306 HG3 ARG 49 3HG ARG 49 -5.873 -12.556 18.216 307 HD2 ARG 49 2HD ARG 49 -5.565 -13.764 20.714 308 HD3 ARG 49 3HD ARG 49 -7.306 -13.575 20.504 309 HE ARG 49 HE ARG 49 -6.066 -14.650 18.175 310 HH11 ARG 49 1HH1 ARG 49 -7.218 -15.461 21.358 311 HH12 ARG 49 2HH1 ARG 49 -7.514 -17.123 20.970 312 HH21 ARG 49 1HH2 ARG 49 -6.451 -16.837 17.651 313 HH22 ARG 49 2HH2 ARG 49 -7.076 -17.905 18.862 314 H CYS 50 H CYS 50 -2.891 -12.806 17.001 315 HA CYS 50 HA CYS 50 -3.183 -15.525 18.033 316 HB2 CYS 50 2HB CYS 50 -3.556 -14.295 15.482 317 HB3 CYS 50 3HB CYS 50 -2.307 -15.524 15.326 318 HG CYS 50 HG CYS 50 -5.600 -15.875 15.798 319 H ASP 51 H ASP 51 -1.386 -16.928 16.561 320 HA ASP 51 HA ASP 51 1.021 -16.538 18.015 321 HB2 ASP 51 2HB ASP 51 0.864 -18.248 15.553 322 HB3 ASP 51 3HB ASP 51 1.769 -18.523 17.039 323 H ALA 52 H ALA 52 3.112 -16.048 17.217 324 HA ALA 52 HA ALA 52 3.141 -14.549 14.681 325 HB1 ALA 52 1HB ALA 52 4.553 -12.868 15.653 326 HB2 ALA 52 2HB ALA 52 3.111 -13.040 16.654 327 HB3 ALA 52 3HB ALA 52 4.636 -13.755 17.175 328 H ASN 53 H ASN 53 5.061 -14.608 13.488 329 HA ASN 53 HA ASN 53 7.113 -16.492 14.427 330 HB2 ASN 53 2HB ASN 53 5.557 -16.547 11.873 331 HB3 ASN 53 3HB ASN 53 7.230 -17.097 11.861 332 HD21 ASN 53 1HD2 ASN 53 4.435 -17.436 14.028 333 HD22 ASN 53 2HD2 ASN 53 4.559 -19.151 14.191 334 H ASN 54 H ASN 54 8.590 -14.893 14.889 335 HA ASN 54 HA ASN 54 9.218 -12.855 12.937 336 HB2 ASN 54 2HB ASN 54 10.473 -13.535 15.605 337 HB3 ASN 54 3HB ASN 54 10.937 -12.160 14.607 338 HD21 ASN 54 1HD2 ASN 54 7.650 -13.273 14.855 339 HD22 ASN 54 2HD2 ASN 54 7.051 -11.926 15.756 340 H ILE 55 H ILE 55 10.964 -12.772 11.612 341 HA ILE 55 HA ILE 55 13.001 -14.864 11.819 342 HB ILE 55 HB ILE 55 12.841 -15.569 9.584 343 HG12 ILE 55 2HG1 ILE 55 10.913 -13.278 9.154 344 HG13 ILE 55 3HG1 ILE 55 12.545 -13.411 8.509 345 HG21 ILE 55 1HG2 ILE 55 10.895 -16.738 9.649 346 HG22 ILE 55 2HG2 ILE 55 10.875 -16.102 11.293 347 HG23 ILE 55 3HG2 ILE 55 9.924 -15.317 10.033 348 HD11 ILE 55 1HD1 ILE 55 10.384 -15.381 7.843 349 HD12 ILE 55 2HD1 ILE 55 10.654 -13.904 6.917 350 HD13 ILE 55 3HD1 ILE 55 11.924 -15.123 7.023 351 H CYS 56 H CYS 56 15.009 -14.164 11.373 352 HA CYS 56 HA CYS 56 15.529 -11.947 9.634 353 HB2 CYS 56 2HB CYS 56 14.835 -10.705 11.616 354 HB3 CYS 56 3HB CYS 56 15.980 -11.602 12.605 355 HG CYS 56 HG CYS 56 18.239 -10.473 11.573 356 H LYS 57 H LYS 57 17.064 -13.438 12.490 357 HA LYS 57 HA LYS 57 19.629 -13.536 11.257 358 HB2 LYS 57 2HB LYS 57 18.632 -15.041 13.683 359 HB3 LYS 57 3HB LYS 57 20.315 -14.795 13.234 360 HG2 LYS 57 2HG LYS 57 20.214 -13.077 14.658 361 HG3 LYS 57 3HG LYS 57 19.419 -12.236 13.326 362 HD2 LYS 57 2HD LYS 57 17.659 -11.949 14.658 363 HD3 LYS 57 3HD LYS 57 17.398 -13.693 14.593 364 HE2 LYS 57 2HE LYS 57 18.294 -14.040 16.653 365 HE3 LYS 57 3HE LYS 57 19.440 -12.710 16.499 366 HZ1 LYS 57 1HZ LYS 57 18.019 -11.825 18.011 367 HZ2 LYS 57 2HZ LYS 57 16.675 -12.681 17.446 368 HZ3 LYS 57 3HZ LYS 57 17.224 -11.320 16.606 369 H CYS 58 H CYS 58 18.264 -14.646 9.346 370 HA CYS 58 HA CYS 58 17.862 -16.504 8.077 371 HB2 CYS 58 2HB CYS 58 20.483 -17.082 9.431 372 HB3 CYS 58 3HB CYS 58 19.786 -18.228 8.292 373 HG CYS 58 HG CYS 58 20.504 -14.975 7.512 374 H SER 59 H SER 59 16.786 -16.472 10.888 375 HA SER 59 HA SER 59 16.119 -19.325 10.994 376 HB2 SER 59 2HB SER 59 16.201 -19.149 13.532 377 HB3 SER 59 3HB SER 59 17.762 -19.161 12.711 378 HG SER 59 HG SER 59 16.547 -16.693 13.203 379 H CYS 60 H CYS 60 14.003 -19.696 11.225 380 HA CYS 60 HA CYS 60 12.261 -17.391 11.719 381 HB2 CYS 60 2HB CYS 60 10.472 -18.859 10.762 382 HB3 CYS 60 3HB CYS 60 11.788 -18.513 9.646 383 HG CYS 60 HG CYS 60 13.012 -21.004 9.954 384 H THR 61 H THR 61 10.840 -17.311 13.383 385 HA THR 61 HA THR 61 10.998 -19.496 15.346 386 HB THR 61 HB THR 61 10.556 -17.950 17.070 387 HG1 THR 61 HG1 THR 61 8.899 -16.733 16.201 388 HG21 THR 61 1HG2 THR 61 12.486 -16.768 17.024 389 HG22 THR 61 2HG2 THR 61 12.127 -16.042 15.458 390 HG23 THR 61 3HG2 THR 61 12.767 -17.683 15.543 391 H ALA 62 H ALA 62 9.134 -20.307 16.313 392 HA ALA 62 HA ALA 62 6.580 -19.484 15.103 393 HB1 ALA 62 1HB ALA 62 7.740 -21.751 14.346 394 HB2 ALA 62 2HB ALA 62 6.934 -22.343 15.799 395 HB3 ALA 62 3HB ALA 62 5.991 -21.597 14.510 396 H ILE 63 H ILE 63 5.873 -18.351 16.880 397 HA ILE 63 HA ILE 63 5.116 -19.986 19.182 398 HB ILE 63 HB ILE 63 5.739 -17.620 20.416 399 HG12 ILE 63 2HG1 ILE 63 7.945 -18.254 18.443 400 HG13 ILE 63 3HG1 ILE 63 6.936 -16.812 18.431 401 HG21 ILE 63 1HG2 ILE 63 7.044 -18.928 21.727 402 HG22 ILE 63 2HG2 ILE 63 6.258 -20.212 20.809 403 HG23 ILE 63 3HG2 ILE 63 7.872 -19.666 20.356 404 HD11 ILE 63 1HD1 ILE 63 9.136 -16.368 19.369 405 HD12 ILE 63 2HD1 ILE 63 7.867 -16.134 20.572 406 HD13 ILE 63 3HD1 ILE 63 8.859 -17.591 20.609 407 HA PRO 64 HA PRO 64 1.330 -17.769 19.128 408 HB2 PRO 64 2HB PRO 64 0.803 -17.352 21.758 409 HB3 PRO 64 3HB PRO 64 0.697 -18.945 20.998 410 HG2 PRO 64 2HG PRO 64 2.908 -17.774 22.642 411 HG3 PRO 64 3HG PRO 64 2.217 -19.407 22.696 412 HD2 PRO 64 2HD PRO 64 4.544 -18.850 21.429 413 HD3 PRO 64 3HD PRO 64 3.433 -20.117 20.871 414 H CYS 65 H CYS 65 0.183 -15.780 20.195 415 HA CYS 65 HA CYS 65 1.174 -13.458 19.334 416 HB2 CYS 65 2HB CYS 65 -0.050 -12.330 21.273 417 HB3 CYS 65 3HB CYS 65 -0.997 -13.417 20.264 418 HG CYS 65 HG CYS 65 0.182 -15.263 22.636 419 H ASN 66 H ASN 66 3.304 -12.978 19.472 420 HA ASN 66 HA ASN 66 5.109 -13.427 21.445 421 HB2 ASN 66 2HB ASN 66 6.272 -11.322 20.671 422 HB3 ASN 66 3HB ASN 66 5.845 -12.453 19.390 423 HD21 ASN 66 1HD2 ASN 66 3.779 -12.017 18.268 424 HD22 ASN 66 2HD2 ASN 66 3.349 -10.369 17.981 425 H GLU 67 H GLU 67 2.581 -11.020 21.438 426 HA GLU 67 HA GLU 67 3.591 -9.800 23.888 427 HB2 GLU 67 2HB GLU 67 1.398 -8.416 23.546 428 HB3 GLU 67 3HB GLU 67 2.798 -8.114 22.526 429 HG2 GLU 67 2HG GLU 67 0.882 -10.128 21.544 430 HG3 GLU 67 3HG GLU 67 0.319 -8.458 21.580 431 H ASP 68 H ASP 68 2.939 -12.432 24.271 432 HA ASP 68 HA ASP 68 0.829 -13.645 24.936 433 HB2 ASP 68 2HB ASP 68 3.003 -12.855 26.798 434 HB3 ASP 68 3HB ASP 68 1.566 -13.574 27.519 435 H HIS 69 H HIS 69 -0.855 -12.038 24.440 436 HA HIS 69 HA HIS 69 -1.826 -10.744 26.902 437 HB2 HIS 69 2HB HIS 69 -2.818 -8.973 25.521 438 HB3 HIS 69 3HB HIS 69 -1.071 -9.044 25.304 439 HD1 HIS 69 HD1 HIS 69 -0.468 -10.761 23.106 440 HD2 HIS 69 HD2 HIS 69 -4.057 -8.668 23.152 441 HE1 HIS 69 HE1 HIS 69 -1.230 -10.681 20.711 442 HA PRO 70 HA PRO 70 -5.230 -13.530 26.197 443 HB2 PRO 70 2HB PRO 70 -6.687 -12.734 28.344 444 HB3 PRO 70 3HB PRO 70 -5.281 -13.797 28.478 445 HG2 PRO 70 2HG PRO 70 -5.477 -10.848 28.951 446 HG3 PRO 70 3HG PRO 70 -4.627 -12.079 29.902 447 HD2 PRO 70 2HD PRO 70 -3.353 -10.454 28.150 448 HD3 PRO 70 3HD PRO 70 -2.821 -12.117 28.471 449 H CYS 71 H CYS 71 -5.071 -10.317 25.593 450 HA CYS 71 HA CYS 71 -7.928 -9.833 25.343 451 HB2 CYS 71 2HB CYS 71 -6.505 -8.010 26.142 452 HB3 CYS 71 3HB CYS 71 -5.554 -8.084 24.664 453 HG CYS 71 HG CYS 71 -7.305 -6.909 23.040 454 H HIS 72 H HIS 72 -8.896 -9.183 23.328 455 HA HIS 72 HA HIS 72 -8.365 -10.931 21.210 456 HB2 HIS 72 2HB HIS 72 -9.961 -8.372 21.331 457 HB3 HIS 72 3HB HIS 72 -9.904 -9.397 19.900 458 HD1 HIS 72 HD1 HIS 72 -9.986 -11.071 23.213 459 HD2 HIS 72 HD2 HIS 72 -12.660 -9.950 20.237 460 HE1 HIS 72 HE1 HIS 72 -12.124 -12.285 23.738 461 H HIS 73 H HIS 73 -8.019 -10.110 18.892 462 HA HIS 73 HA HIS 73 -5.444 -9.346 18.485 463 HB2 HIS 73 2HB HIS 73 -6.322 -8.402 16.232 464 HB3 HIS 73 3HB HIS 73 -6.551 -10.113 16.581 465 HD1 HIS 73 HD1 HIS 73 -8.444 -6.878 16.336 466 HD2 HIS 73 HD2 HIS 73 -9.189 -10.938 16.810 467 HE1 HIS 73 HE1 HIS 73 -10.927 -7.146 16.037 468 H CYS 74 H CYS 74 -5.180 -7.734 20.227 469 HA CYS 74 HA CYS 74 -5.004 -5.114 19.145 470 HB2 CYS 74 2HB CYS 74 -7.282 -5.764 20.946 471 HB3 CYS 74 3HB CYS 74 -6.456 -4.233 21.207 472 HG CYS 74 HG CYS 74 -7.580 -5.067 18.102 473 H HIS 75 H HIS 75 -3.983 -3.596 20.636 474 HA HIS 75 HA HIS 75 -1.810 -4.610 21.966 475 HB2 HIS 75 2HB HIS 75 -1.491 -2.433 22.924 476 HB3 HIS 75 3HB HIS 75 -2.180 -2.212 21.318 477 HD1 HIS 75 HD1 HIS 75 -2.581 -1.121 24.708 478 HD2 HIS 75 HD2 HIS 75 -5.140 -1.799 21.506 479 HE1 HIS 75 HE1 HIS 75 -4.690 0.135 25.255 480 H GLU 76 H GLU 76 -1.286 -4.445 24.322 481 HA GLU 76 HA GLU 76 -2.909 -6.143 25.822 482 HB2 GLU 76 2HB GLU 76 -1.523 -5.389 27.773 483 HB3 GLU 76 3HB GLU 76 -0.596 -5.939 26.384 484 HG2 GLU 76 2HG GLU 76 0.564 -4.060 26.594 485 HG3 GLU 76 3HG GLU 76 -0.848 -3.242 25.928 486 H GLU 77 H GLU 77 -5.005 -5.571 26.110 487 HA GLU 77 HA GLU 77 -5.604 -2.921 27.206 488 HB2 GLU 77 2HB GLU 77 -7.530 -5.035 26.230 489 HB3 GLU 77 3HB GLU 77 -7.913 -3.365 26.625 490 HG2 GLU 77 2HG GLU 77 -6.121 -2.859 24.773 491 HG3 GLU 77 3HG GLU 77 -6.540 -4.486 24.240 492 H ASP 78 H ASP 78 -8.007 -3.518 28.484 493 HA ASP 78 HA ASP 78 -7.042 -4.408 31.019 494 HB2 ASP 78 2HB ASP 78 -8.749 -2.639 30.800 495 HB3 ASP 78 3HB ASP 78 -9.876 -3.820 30.140 496 H ASP 79 H ASP 79 -8.043 -6.075 28.333 497 HA ASP 79 HA ASP 79 -9.618 -8.141 29.430 498 HB2 ASP 79 2HB ASP 79 -8.279 -7.584 26.905 499 HB3 ASP 79 3HB ASP 79 -8.216 -9.293 27.323 500 H GLY 80 H GLY 80 -9.100 -9.773 30.730 501 HA2 GLY 80 2HA GLY 80 -7.493 -11.678 30.996 502 HA3 GLY 80 3HA GLY 80 -6.237 -10.448 31.019 503 H ASP 81 H ASP 81 -5.579 -11.284 33.071 504 HA ASP 81 HA ASP 81 -7.370 -10.501 35.278 505 HB2 ASP 81 2HB ASP 81 -5.886 -12.937 34.797 506 HB3 ASP 81 3HB ASP 81 -5.393 -12.199 36.318 507 H THR 82 H THR 82 -5.772 -10.377 37.382 508 HA THR 82 HA THR 82 -4.485 -7.923 37.181 509 HB THR 82 HB THR 82 -3.854 -10.063 39.221 510 HG1 THR 82 HG1 THR 82 -6.175 -8.915 38.728 511 HG21 THR 82 1HG2 THR 82 -3.147 -8.299 40.638 512 HG22 THR 82 2HG2 THR 82 -3.798 -7.070 39.555 513 HG23 THR 82 3HG2 THR 82 -2.380 -8.003 39.079 514 H HIS 83 H HIS 83 -2.683 -10.851 38.066 515 HA HIS 83 HA HIS 83 -0.177 -9.957 37.386 516 HB2 HIS 83 2HB HIS 83 -1.222 -12.789 37.174 517 HB3 HIS 83 3HB HIS 83 0.479 -12.335 37.213 518 HD1 HIS 83 HD1 HIS 83 -0.745 -10.089 39.526 519 HD2 HIS 83 HD2 HIS 83 -0.331 -14.223 39.602 520 HE1 HIS 83 HE1 HIS 83 -0.723 -10.718 41.961 521 H CYS 84 H CYS 84 -2.519 -11.615 35.306 522 HA CYS 84 HA CYS 84 -0.941 -11.934 33.041 523 HB2 CYS 84 2HB CYS 84 -3.831 -11.840 33.618 524 HB3 CYS 84 3HB CYS 84 -3.395 -11.453 31.958 525 HG CYS 84 HG CYS 84 -1.824 -14.171 33.049 526 H HIS 85 H HIS 85 -3.078 -9.215 33.885 527 HA HIS 85 HA HIS 85 -2.492 -7.658 31.613 528 HB2 HIS 85 2HB HIS 85 -4.036 -6.287 32.487 529 HB3 HIS 85 3HB HIS 85 -4.189 -7.444 33.806 530 HD1 HIS 85 HD1 HIS 85 -2.469 -6.944 35.887 531 HD2 HIS 85 HD2 HIS 85 -3.283 -3.810 33.283 532 HE1 HIS 85 HE1 HIS 85 -1.813 -4.855 37.123 533 H CYS 86 H CYS 86 -0.831 -8.120 34.633 534 HA CYS 86 HA CYS 86 0.830 -5.804 34.445 535 HB2 CYS 86 2HB CYS 86 0.569 -8.127 36.227 536 HB3 CYS 86 3HB CYS 86 2.217 -7.537 36.053 537 HG CYS 86 HG CYS 86 -0.254 -6.310 37.844 538 H SER 87 H SER 87 1.040 -9.113 33.331 539 HA SER 87 HA SER 87 3.818 -8.945 32.610 540 HB2 SER 87 2HB SER 87 1.715 -10.975 31.818 541 HB3 SER 87 3HB SER 87 3.452 -11.145 31.564 542 HG SER 87 HG SER 87 2.584 -10.600 34.154 543 H CYS 88 H CYS 88 0.797 -8.187 31.122 544 HA CYS 88 HA CYS 88 1.829 -8.193 28.426 545 HB2 CYS 88 2HB CYS 88 -0.763 -7.040 29.475 546 HB3 CYS 88 3HB CYS 88 -0.366 -7.357 27.790 547 HG CYS 88 HG CYS 88 -2.195 -9.224 29.276 548 H GLU 89 H GLU 89 1.044 -5.796 30.900 549 HA GLU 89 HA GLU 89 1.460 -3.500 29.330 550 HB2 GLU 89 2HB GLU 89 0.528 -3.892 31.812 551 HB3 GLU 89 3HB GLU 89 2.168 -3.403 32.213 552 HG2 GLU 89 2HG GLU 89 1.675 -1.430 30.583 553 HG3 GLU 89 3HG GLU 89 -0.008 -1.843 30.908 554 H HIS 90 H HIS 90 3.660 -5.622 31.014 555 HA HIS 90 HA HIS 90 5.913 -3.825 30.574 556 HB2 HIS 90 2HB HIS 90 5.763 -6.539 31.903 557 HB3 HIS 90 3HB HIS 90 7.216 -5.549 31.797 558 HD1 HIS 90 HD1 HIS 90 3.684 -4.568 32.819 559 HD2 HIS 90 HD2 HIS 90 7.562 -4.607 34.309 560 HE1 HIS 90 HE1 HIS 90 3.553 -3.443 35.065 561 H SER 91 H SER 91 4.545 -6.794 29.340 562 HA SER 91 HA SER 91 6.826 -7.562 27.803 563 HB2 SER 91 2HB SER 91 5.180 -9.230 28.470 564 HB3 SER 91 3HB SER 91 3.919 -8.381 27.576 565 HG SER 91 HG SER 91 5.044 -8.846 25.662 566 H HIS 92 H HIS 92 3.784 -5.897 27.061 567 HA HIS 92 HA HIS 92 4.430 -5.548 24.290 568 HB2 HIS 92 2HB HIS 92 2.145 -5.177 25.956 569 HB3 HIS 92 3HB HIS 92 2.463 -3.661 25.120 570 HD1 HIS 92 HD1 HIS 92 0.055 -5.732 24.599 571 HD2 HIS 92 HD2 HIS 92 3.452 -5.194 22.268 572 HE1 HIS 92 HE1 HIS 92 -0.568 -6.548 22.304 573 H ASP 93 H ASP 93 4.793 -3.667 27.219 574 HA ASP 93 HA ASP 93 5.328 -1.164 26.063 575 HB2 ASP 93 2HB ASP 93 4.940 -1.054 28.349 576 HB3 ASP 93 3HB ASP 93 5.972 -2.439 28.694 577 H HIS 94 H HIS 94 7.186 -4.038 26.192 578 HA HIS 94 HA HIS 94 9.753 -2.774 25.883 579 HB2 HIS 94 2HB HIS 94 9.979 -4.849 26.885 580 HB3 HIS 94 3HB HIS 94 8.746 -5.590 25.869 581 HD1 HIS 94 HD1 HIS 94 12.102 -3.945 25.106 582 HD2 HIS 94 HD2 HIS 94 9.943 -7.394 24.269 583 HE1 HIS 94 HE1 HIS 94 13.562 -5.295 23.566 584 H HIS 95 H HIS 95 7.427 -4.398 23.768 585 HA HIS 95 HA HIS 95 9.062 -3.706 21.437 586 HB2 HIS 95 2HB HIS 95 6.940 -5.714 21.988 587 HB3 HIS 95 3HB HIS 95 7.030 -5.074 20.350 588 HD1 HIS 95 HD1 HIS 95 10.108 -4.900 20.079 589 HD2 HIS 95 HD2 HIS 95 8.058 -8.173 21.609 590 HE1 HIS 95 HE1 HIS 95 11.649 -6.863 19.771 591 H ASP 96 H ASP 96 6.861 -2.194 23.238 592 HA ASP 96 HA ASP 96 5.133 -1.199 21.136 593 HB2 ASP 96 2HB ASP 96 4.130 -1.492 23.303 594 HB3 ASP 96 3HB ASP 96 5.378 -0.513 24.069 595 H ASP 97 H ASP 97 8.187 -0.461 22.370 596 HA ASP 97 HA ASP 97 8.296 2.318 22.257 597 HB2 ASP 97 2HB ASP 97 10.695 2.074 21.993 598 HB3 ASP 97 3HB ASP 97 10.109 0.864 23.130 599 H ASP 98 H ASP 98 7.591 0.188 19.783 600 HA ASP 98 HA ASP 98 8.209 2.243 17.768 601 HB2 ASP 98 2HB ASP 98 9.164 -0.472 17.880 602 HB3 ASP 98 3HB ASP 98 8.166 -0.245 16.446 603 H THR 99 H THR 99 5.770 1.672 19.304 604 HA THR 99 HA THR 99 3.975 1.147 17.030 605 HB THR 99 HB THR 99 2.460 -0.092 18.353 606 HG1 THR 99 HG1 THR 99 2.716 -0.287 20.617 607 HG21 THR 99 1HG2 THR 99 5.262 -0.937 19.099 608 HG22 THR 99 2HG2 THR 99 4.366 -1.422 17.659 609 HG23 THR 99 3HG2 THR 99 3.825 -1.947 19.253 610 H HIS 100 H HIS 100 3.892 2.352 20.391 611 HA HIS 100 HA HIS 100 3.368 4.968 20.024 612 HB2 HIS 100 2HB HIS 100 1.532 4.651 18.577 613 HB3 HIS 100 3HB HIS 100 0.867 3.355 19.567 614 HD1 HIS 100 HD1 HIS 100 0.062 4.256 22.066 615 HD2 HIS 100 HD2 HIS 100 0.308 7.025 18.978 616 HE1 HIS 100 HE1 HIS 100 -1.344 6.207 22.800 617 H GLY 101 H GLY 101 2.703 6.050 21.915 618 HA2 GLY 101 2HA GLY 101 1.487 4.808 24.130 619 HA3 GLY 101 3HA GLY 101 3.231 4.720 24.324 620 H GLU 102 H GLU 102 3.480 6.116 26.005 621 HA GLU 102 HA GLU 102 2.971 8.937 25.406 622 HB2 GLU 102 2HB GLU 102 2.056 9.370 27.597 623 HB3 GLU 102 3HB GLU 102 1.105 8.113 26.819 624 HG2 GLU 102 2HG GLU 102 1.374 6.881 28.633 625 HG3 GLU 102 3HG GLU 102 3.086 6.757 28.234 626 H CYS 103 H CYS 103 4.367 10.399 26.448 627 HA CYS 103 HA CYS 103 6.257 9.756 28.400 628 HB2 CYS 103 2HB CYS 103 7.291 8.258 26.842 629 HB3 CYS 103 3HB CYS 103 7.234 9.462 25.558 630 H THR 104 H THR 104 7.738 11.481 28.824 631 HA THR 104 HA THR 104 6.781 14.028 27.765 632 HB THR 104 HB THR 104 8.866 13.941 29.886 633 HG1 THR 104 HG1 THR 104 6.145 13.188 30.300 634 HG21 THR 104 1HG2 THR 104 6.473 15.608 29.192 635 HG22 THR 104 2HG2 THR 104 8.152 16.103 29.410 636 HG23 THR 104 3HG2 THR 104 7.170 15.673 30.810 637 H LYS 105 H LYS 105 8.466 15.766 27.453 638 HA LYS 105 HA LYS 105 10.038 15.393 25.312 639 HB2 LYS 105 2HB LYS 105 10.897 17.111 27.645 640 HB3 LYS 105 3HB LYS 105 11.336 17.329 25.956 641 HG2 LYS 105 2HG LYS 105 8.679 17.447 25.718 642 HG3 LYS 105 3HG LYS 105 8.842 18.025 27.378 643 HD2 LYS 105 2HD LYS 105 10.669 19.177 25.343 644 HD3 LYS 105 3HD LYS 105 8.971 19.657 25.276 645 HE2 LYS 105 2HE LYS 105 9.822 21.256 26.688 646 HE3 LYS 105 3HE LYS 105 9.292 20.037 27.846 647 HZ1 LYS 105 1HZ LYS 105 11.498 19.270 28.111 648 HZ2 LYS 105 2HZ LYS 105 11.566 20.956 28.231 649 HZ3 LYS 105 3HZ LYS 105 12.065 20.189 26.808 650 H LYS 106 H LYS 106 12.205 14.904 24.858 651 HA LYS 106 HA LYS 106 13.683 13.036 25.111 652 HB2 LYS 106 2HB LYS 106 14.558 15.570 25.497 653 HB3 LYS 106 3HB LYS 106 15.062 14.834 27.012 654 HG2 LYS 106 2HG LYS 106 15.709 13.288 24.599 655 HG3 LYS 106 3HG LYS 106 16.536 14.841 24.751 656 HD2 LYS 106 2HD LYS 106 17.026 14.060 27.175 657 HD3 LYS 106 3HD LYS 106 16.645 12.451 26.555 658 HE2 LYS 106 2HE LYS 106 18.452 13.927 24.818 659 HE3 LYS 106 3HE LYS 106 19.100 13.713 26.443 660 HZ1 LYS 106 1HZ LYS 106 17.894 11.360 25.246 661 HZ2 LYS 106 2HZ LYS 106 19.307 11.505 26.164 662 HZ3 LYS 106 3HZ LYS 106 19.325 11.893 24.518 663 H ALA 107 H ALA 107 11.628 12.357 26.802 664 HA ALA 107 HA ALA 107 12.986 11.631 29.313 665 HB1 ALA 107 1HB ALA 107 10.781 11.357 30.296 666 HB2 ALA 107 2HB ALA 107 10.955 12.972 29.608 667 HB3 ALA 107 3HB ALA 107 10.026 11.743 28.750 668 HA PRO 108 HA PRO 108 13.049 7.435 27.955 669 HB2 PRO 108 2HB PRO 108 13.398 6.247 30.371 670 HB3 PRO 108 3HB PRO 108 14.689 7.116 29.532 671 HG2 PRO 108 2HG PRO 108 12.914 8.046 31.756 672 HG3 PRO 108 3HG PRO 108 14.659 8.278 31.546 673 HD2 PRO 108 2HD PRO 108 12.852 10.209 30.965 674 HD3 PRO 108 3HD PRO 108 14.376 10.028 30.073 675 H CYS 109 H CYS 109 10.677 7.747 27.427 676 HA CYS 109 HA CYS 109 9.155 5.753 28.876 677 HB2 CYS 109 2HB CYS 109 7.238 7.732 28.603 678 HB3 CYS 109 3HB CYS 109 8.015 7.245 30.106 679 H TRP 110 H TRP 110 7.416 4.901 27.685 680 HA TRP 110 HA TRP 110 6.335 5.864 25.337 681 HB2 TRP 110 2HB TRP 110 8.680 5.744 24.491 682 HB3 TRP 110 3HB TRP 110 8.647 4.003 24.755 683 HD1 TRP 110 HD1 TRP 110 5.687 3.501 23.572 684 HE1 TRP 110 HE1 TRP 110 5.346 3.616 21.023 685 HE3 TRP 110 HE3 TRP 110 9.803 6.265 22.327 686 HZ2 TRP 110 HZ2 TRP 110 6.650 4.730 18.782 687 HZ3 TRP 110 HZ3 TRP 110 10.184 6.812 19.958 688 HH2 TRP 110 HH2 TRP 110 8.640 6.059 18.224 689 H ARG 111 H ARG 111 4.484 4.848 25.902 690 HA ARG 111 HA ARG 111 4.079 2.168 25.191 691 HB2 ARG 111 2HB ARG 111 5.198 1.409 27.104 692 HB3 ARG 111 3HB ARG 111 4.546 2.698 28.109 693 HG2 ARG 111 2HG ARG 111 3.518 0.612 28.709 694 HG3 ARG 111 3HG ARG 111 2.317 1.657 27.946 695 HD2 ARG 111 2HD ARG 111 3.418 0.246 25.833 696 HD3 ARG 111 3HD ARG 111 3.311 -0.945 27.128 697 HE ARG 111 HE ARG 111 0.874 0.254 27.148 698 HH11 ARG 111 1HH1 ARG 111 2.795 -1.299 24.694 699 HH12 ARG 111 2HH1 ARG 111 1.426 -1.853 23.789 700 HH21 ARG 111 1HH2 ARG 111 -0.936 -0.470 25.965 701 HH22 ARG 111 2HH2 ARG 111 -0.696 -1.380 24.512 702 H CYS 112 H CYS 112 1.985 1.951 24.717 703 HA CYS 112 HA CYS 112 0.162 4.066 25.149 704 HB2 CYS 112 2HB CYS 112 -0.308 2.858 23.227 705 HB3 CYS 112 3HB CYS 112 -0.031 1.307 24.009 706 HG CYS 112 HG CYS 112 -2.437 1.301 25.405 707 H GLU 113 H GLU 113 -0.526 4.559 27.137 708 HA GLU 113 HA GLU 113 -1.830 2.443 28.692 709 HB2 GLU 113 2HB GLU 113 -0.870 3.556 30.778 710 HB3 GLU 113 3HB GLU 113 0.232 2.578 29.820 711 HG2 GLU 113 2HG GLU 113 1.450 4.372 29.125 712 HG3 GLU 113 3HG GLU 113 0.087 5.483 29.240 713 H TYR 114 H TYR 114 -3.882 3.038 28.851 714 HA TYR 114 HA TYR 114 -4.688 5.424 30.119 715 HB2 TYR 114 2HB TYR 114 -4.005 6.132 27.691 716 HB3 TYR 114 3HB TYR 114 -5.555 5.426 27.249 717 HD1 TYR 114 HD1 TYR 114 -4.241 7.705 29.915 718 HD2 TYR 114 HD2 TYR 114 -7.290 6.921 27.053 719 HE1 TYR 114 HE1 TYR 114 -5.367 9.797 30.551 720 HE2 TYR 114 HE2 TYR 114 -8.424 9.011 27.680 721 HH TYR 114 HH TYR 114 -7.046 11.188 30.122 722 H ASN 115 H ASN 115 -6.635 5.092 30.998 723 HA ASN 115 HA ASN 115 -8.547 3.322 29.685 724 HB2 ASN 115 2HB ASN 115 -7.397 1.754 31.075 725 HB3 ASN 115 3HB ASN 115 -7.414 2.859 32.446 726 HD21 ASN 115 1HD2 ASN 115 -9.251 0.626 30.538 727 HD22 ASN 115 2HD2 ASN 115 -10.599 0.498 31.611 728 H ALA 116 H ALA 116 -10.314 4.531 29.543 729 HA ALA 116 HA ALA 116 -11.511 5.638 31.918 730 HB1 ALA 116 1HB ALA 116 -11.371 7.881 31.486 731 HB2 ALA 116 2HB ALA 116 -9.809 7.345 30.865 732 HB3 ALA 116 3HB ALA 116 -11.144 7.646 29.753 733 H ASP 117 H ASP 117 -13.612 6.827 31.290 734 HA ASP 117 HA ASP 117 -14.959 5.167 29.290 735 HB2 ASP 117 2HB ASP 117 -16.314 7.042 31.219 736 HB3 ASP 117 3HB ASP 117 -16.985 5.629 30.410 737 H LEU 118 H LEU 118 -14.866 6.037 27.313 738 HA LEU 118 HA LEU 118 -16.307 8.332 26.637 739 HB2 LEU 118 2HB LEU 118 -13.596 8.823 27.481 740 HB3 LEU 118 3HB LEU 118 -13.816 9.289 25.796 741 HG LEU 118 HG LEU 118 -15.637 10.260 27.984 742 HD11 LEU 118 1HD1 LEU 118 -14.163 11.771 28.679 743 HD12 LEU 118 2HD1 LEU 118 -13.709 12.195 27.029 744 HD13 LEU 118 3HD1 LEU 118 -12.931 10.833 27.834 745 HD21 LEU 118 1HD2 LEU 118 -16.652 10.637 25.928 746 HD22 LEU 118 2HD2 LEU 118 -15.122 10.980 25.122 747 HD23 LEU 118 3HD2 LEU 118 -15.811 12.155 26.243 748 H LYS 119 H LYS 119 -15.663 9.086 24.305 749 HA LYS 119 HA LYS 119 -15.416 6.648 22.729 750 HB2 LYS 119 2HB LYS 119 -16.428 9.413 22.215 751 HB3 LYS 119 3HB LYS 119 -15.915 8.432 20.849 752 HG2 LYS 119 2HG LYS 119 -18.242 8.122 21.067 753 HG3 LYS 119 3HG LYS 119 -17.484 6.650 21.677 754 HD2 LYS 119 2HD LYS 119 -17.977 8.761 23.676 755 HD3 LYS 119 3HD LYS 119 -19.417 8.007 22.987 756 HE2 LYS 119 2HE LYS 119 -17.627 5.917 23.545 757 HE3 LYS 119 3HE LYS 119 -17.581 6.984 24.947 758 HZ1 LYS 119 1HZ LYS 119 -19.577 5.146 24.206 759 HZ2 LYS 119 2HZ LYS 119 -20.248 6.699 24.207 760 HZ3 LYS 119 3HZ LYS 119 -19.490 6.106 25.597 761 H HIS 120 H HIS 120 -13.429 6.040 22.182 762 HA HIS 120 HA HIS 120 -11.693 7.915 20.817 763 HB2 HIS 120 2HB HIS 120 -11.297 7.483 23.546 764 HB3 HIS 120 3HB HIS 120 -10.105 6.452 22.760 765 HD1 HIS 120 HD1 HIS 120 -9.630 8.467 20.328 766 HD2 HIS 120 HD2 HIS 120 -9.458 9.382 24.377 767 HE1 HIS 120 HE1 HIS 120 -8.174 10.511 20.495 768 H ASP 121 H ASP 121 -9.396 6.436 20.686 769 HA ASP 121 HA ASP 121 -10.260 3.831 19.620 770 HB2 ASP 121 2HB ASP 121 -9.015 6.070 18.207 771 HB3 ASP 121 3HB ASP 121 -8.142 4.554 18.002 772 H VAL 122 H VAL 122 -8.833 2.137 19.855 773 HA VAL 122 HA VAL 122 -7.106 2.152 22.041 774 HB VAL 122 HB VAL 122 -6.162 0.014 20.955 775 HG11 VAL 122 1HG1 VAL 122 -8.205 -1.245 21.513 776 HG12 VAL 122 2HG1 VAL 122 -7.814 -0.025 22.727 777 HG13 VAL 122 3HG1 VAL 122 -9.105 0.270 21.562 778 HG21 VAL 122 1HG2 VAL 122 -8.567 0.008 19.227 779 HG22 VAL 122 2HG2 VAL 122 -7.187 0.958 18.677 780 HG23 VAL 122 3HG2 VAL 122 -7.000 -0.767 18.993 781 H CYS 123 H CYS 123 -4.786 1.806 22.104 782 HA CYS 123 HA CYS 123 -3.327 2.904 19.806 783 HB2 CYS 123 2HB CYS 123 -2.078 3.779 22.236 784 HB3 CYS 123 3HB CYS 123 -2.698 4.747 20.903 785 HG CYS 123 HG CYS 123 -5.004 3.590 23.068 786 H GLY 124 H GLY 124 -0.791 2.904 20.878 787 HA2 GLY 124 2HA GLY 124 0.983 1.542 21.418 788 HA3 GLY 124 3HA GLY 124 -0.154 0.509 22.272 789 H CYS 125 H CYS 125 -0.267 -1.490 21.527 790 HA CYS 125 HA CYS 125 0.911 -2.217 19.024 791 HB2 CYS 125 2HB CYS 125 1.199 -3.976 20.435 792 HB3 CYS 125 3HB CYS 125 -0.268 -3.625 21.339 793 HG CYS 125 HG CYS 125 -1.986 -4.848 19.550 794 H GLU 126 H GLU 126 -1.990 -0.848 19.713 795 HA GLU 126 HA GLU 126 -3.918 -2.279 18.342 796 HB2 GLU 126 2HB GLU 126 -4.908 -0.493 19.329 797 HB3 GLU 126 3HB GLU 126 -3.516 0.551 19.074 798 HG2 GLU 126 2HG GLU 126 -5.449 1.354 17.852 799 HG3 GLU 126 3HG GLU 126 -4.162 0.868 16.750 800 H CYS 127 H CYS 127 -1.457 -0.088 17.084 801 HA CYS 127 HA CYS 127 -1.232 -1.312 14.606 802 HB2 CYS 127 2HB CYS 127 -2.466 0.047 13.094 803 HB3 CYS 127 3HB CYS 127 -3.591 -0.414 14.366 804 HG CYS 127 HG CYS 127 -4.339 1.974 14.896 805 H SER 128 H SER 128 -0.138 0.204 12.952 806 HA SER 128 HA SER 128 1.794 1.825 14.444 807 HB2 SER 128 2HB SER 128 3.367 1.077 13.010 808 HB3 SER 128 3HB SER 128 2.164 -0.117 12.523 809 HG SER 128 HG SER 128 1.958 0.866 10.676 810 H LYS 129 H LYS 129 2.778 3.609 12.860 811 HA LYS 129 HA LYS 129 0.495 5.170 11.840 812 HB2 LYS 129 2HB LYS 129 2.885 6.003 13.455 813 HB3 LYS 129 3HB LYS 129 2.060 7.165 12.424 814 HG2 LYS 129 2HG LYS 129 0.773 5.579 14.637 815 HG3 LYS 129 3HG LYS 129 1.289 7.263 14.746 816 HD2 LYS 129 2HD LYS 129 -0.812 6.149 12.888 817 HD3 LYS 129 3HD LYS 129 -1.100 7.137 14.322 818 HE2 LYS 129 2HE LYS 129 0.578 8.760 13.030 819 HE3 LYS 129 3HE LYS 129 -0.099 7.911 11.641 820 HZ1 LYS 129 1HZ LYS 129 -1.246 10.035 12.481 821 HZ2 LYS 129 2HZ LYS 129 -1.875 9.046 13.700 822 HZ3 LYS 129 3HZ LYS 129 -2.208 8.703 12.077 823 H LEU 130 H LEU 130 3.946 5.887 11.666 824 HA LEU 130 HA LEU 130 4.014 5.241 8.828 825 HB2 LEU 130 2HB LEU 130 4.056 7.982 9.954 826 HB3 LEU 130 3HB LEU 130 5.179 7.633 8.641 827 HG LEU 130 HG LEU 130 3.004 6.733 7.460 828 HD11 LEU 130 1HD1 LEU 130 1.940 7.759 9.850 829 HD12 LEU 130 2HD1 LEU 130 1.065 7.177 8.434 830 HD13 LEU 130 3HD1 LEU 130 1.483 8.884 8.571 831 HD21 LEU 130 1HD2 LEU 130 3.491 9.693 7.746 832 HD22 LEU 130 2HD2 LEU 130 2.775 8.851 6.371 833 HD23 LEU 130 3HD2 LEU 130 4.480 8.617 6.760 834 HA PRO 131 HA PRO 131 8.204 4.197 9.604 835 HB2 PRO 131 2HB PRO 131 9.417 4.899 7.279 836 HB3 PRO 131 3HB PRO 131 8.337 3.506 7.417 837 HG2 PRO 131 2HG PRO 131 7.762 6.254 6.377 838 HG3 PRO 131 3HG PRO 131 7.267 4.683 5.721 839 HD2 PRO 131 2HD PRO 131 5.604 6.241 7.184 840 HD3 PRO 131 3HD PRO 131 5.524 4.467 7.214 841 H CYS 132 H CYS 132 8.152 6.088 11.210 842 HA CYS 132 HA CYS 132 10.170 8.069 10.386 843 HB2 CYS 132 2HB CYS 132 8.491 8.950 12.594 844 HB3 CYS 132 3HB CYS 132 8.908 9.784 11.100 845 H ASN 133 H ASN 133 11.942 7.084 11.252 846 HA ASN 133 HA ASN 133 11.940 6.765 14.179 847 HB2 ASN 133 2HB ASN 133 13.826 4.981 13.511 848 HB3 ASN 133 3HB ASN 133 12.126 4.546 13.671 849 HD21 ASN 133 1HD2 ASN 133 10.848 4.421 11.745 850 HD22 ASN 133 2HD2 ASN 133 11.596 4.037 10.236 851 H ASP 134 H ASP 134 13.197 8.294 15.002 852 HA ASP 134 HA ASP 134 15.611 9.093 13.518 853 HB2 ASP 134 2HB ASP 134 13.940 10.612 15.527 854 HB3 ASP 134 3HB ASP 134 15.493 11.181 14.922 855 H GLU 135 H GLU 135 14.794 9.584 16.923 856 HA GLU 135 HA GLU 135 16.283 7.577 18.094 857 HB2 GLU 135 2HB GLU 135 17.937 9.659 16.927 858 HB3 GLU 135 3HB GLU 135 18.200 9.520 18.660 859 HG2 GLU 135 2HG GLU 135 18.172 6.899 17.755 860 HG3 GLU 135 3HG GLU 135 19.056 7.788 16.516 861 H HIS 136 H HIS 136 14.244 8.118 19.243 862 HA HIS 136 HA HIS 136 14.669 10.257 21.226 863 HB2 HIS 136 2HB HIS 136 12.345 9.513 19.634 864 HB3 HIS 136 3HB HIS 136 11.980 9.574 21.356 865 HD1 HIS 136 HD1 HIS 136 14.259 11.874 19.371 866 HD2 HIS 136 HD2 HIS 136 10.754 11.985 21.598 867 HE1 HIS 136 HE1 HIS 136 13.640 14.306 19.530 868 HA PRO 137 HA PRO 137 14.635 7.347 24.507 869 HB2 PRO 137 2HB PRO 137 13.201 8.631 26.422 870 HB3 PRO 137 3HB PRO 137 14.835 9.118 25.957 871 HG2 PRO 137 2HG PRO 137 12.204 10.273 25.118 872 HG3 PRO 137 3HG PRO 137 13.697 11.110 25.582 873 HD2 PRO 137 2HD PRO 137 12.961 10.771 22.999 874 HD3 PRO 137 3HD PRO 137 14.660 10.808 23.510 875 H CYS 138 H CYS 138 13.431 5.728 25.496 876 HA CYS 138 HA CYS 138 10.550 5.738 25.379 877 HB2 CYS 138 2HB CYS 138 10.421 3.634 24.048 878 HB3 CYS 138 3HB CYS 138 10.996 5.014 23.120 879 HG CYS 138 HG CYS 138 12.807 3.473 22.104 880 H TYR 139 H TYR 139 9.594 3.961 26.527 881 HA TYR 139 HA TYR 139 11.453 2.790 28.478 882 HB2 TYR 139 2HB TYR 139 9.816 4.109 29.585 883 HB3 TYR 139 3HB TYR 139 8.510 3.434 28.617 884 HD1 TYR 139 HD1 TYR 139 7.139 2.694 30.424 885 HD2 TYR 139 HD2 TYR 139 11.193 1.427 30.165 886 HE1 TYR 139 HE1 TYR 139 6.718 1.009 32.165 887 HE2 TYR 139 HE2 TYR 139 10.783 -0.262 31.904 888 HH TYR 139 HH TYR 139 7.973 -0.281 33.820 889 H ARG 140 H ARG 140 12.077 0.837 27.779 890 HA ARG 140 HA ARG 140 9.968 -1.106 27.136 891 HB2 ARG 140 2HB ARG 140 11.577 -2.127 25.477 892 HB3 ARG 140 3HB ARG 140 10.884 -0.580 25.008 893 HG2 ARG 140 2HG ARG 140 12.869 0.477 25.053 894 HG3 ARG 140 3HG ARG 140 13.449 -0.442 26.443 895 HD2 ARG 140 2HD ARG 140 13.455 -2.414 24.686 896 HD3 ARG 140 3HD ARG 140 13.592 -1.080 23.541 897 HE ARG 140 HE ARG 140 15.633 -2.070 25.257 898 HH11 ARG 140 1HH1 ARG 140 14.403 0.833 23.780 899 HH12 ARG 140 2HH1 ARG 140 15.935 1.642 23.786 900 HH21 ARG 140 1HH2 ARG 140 17.656 -1.016 25.270 901 HH22 ARG 140 2HH2 ARG 140 17.785 0.589 24.633 902 H LYS 141 H LYS 141 12.779 -2.613 26.562 903 HA LYS 141 HA LYS 141 12.758 -3.923 29.145 904 HB2 LYS 141 2HB LYS 141 12.910 -5.182 26.984 905 HB3 LYS 141 3HB LYS 141 14.511 -4.492 26.749 906 HG2 LYS 141 2HG LYS 141 15.395 -6.132 27.936 907 HG3 LYS 141 3HG LYS 141 14.437 -5.646 29.337 908 HD2 LYS 141 2HD LYS 141 12.933 -7.300 29.039 909 HD3 LYS 141 3HD LYS 141 12.973 -7.159 27.280 910 HE2 LYS 141 2HE LYS 141 13.846 -9.309 27.920 911 HE3 LYS 141 3HE LYS 141 15.158 -8.321 27.280 912 HZ1 LYS 141 1HZ LYS 141 16.159 -8.178 29.294 913 HZ2 LYS 141 2HZ LYS 141 15.389 -9.667 29.519 914 HZ3 LYS 141 3HZ LYS 141 14.712 -8.258 30.166 915 H GLU 142 H GLU 142 13.902 -1.120 28.530 916 HA GLU 142 HA GLU 142 15.785 -0.958 30.510 917 HB2 GLU 142 2HB GLU 142 16.886 -2.158 28.127 918 HB3 GLU 142 3HB GLU 142 17.695 -0.636 28.475 919 HG2 GLU 142 2HG GLU 142 18.803 -1.503 30.190 920 HG3 GLU 142 3HG GLU 142 17.351 -2.251 30.854 921 H GLY 143 H GLY 143 15.728 1.127 31.007 922 HA2 GLY 143 2HA GLY 143 14.613 3.118 29.425 923 HA3 GLY 143 3HA GLY 143 15.660 3.413 30.806 924 H GLY 144 H GLY 144 15.309 3.800 27.504 925 HA2 GLY 144 2HA GLY 144 17.859 5.060 27.257 926 HA3 GLY 144 3HA GLY 144 17.823 3.520 26.412 927 H VAL 145 H VAL 145 18.316 5.257 24.680 928 HA VAL 145 HA VAL 145 15.752 6.077 23.478 929 HB VAL 145 HB VAL 145 16.807 7.991 22.481 930 HG11 VAL 145 1HG1 VAL 145 17.957 8.598 25.027 931 HG12 VAL 145 2HG1 VAL 145 16.425 9.142 24.340 932 HG13 VAL 145 3HG1 VAL 145 16.496 7.639 25.260 933 HG21 VAL 145 1HG2 VAL 145 19.210 8.526 23.178 934 HG22 VAL 145 2HG2 VAL 145 19.332 6.821 23.612 935 HG23 VAL 145 3HG2 VAL 145 18.977 7.284 21.948 936 H VAL 146 H VAL 146 15.392 5.537 21.387 937 HA VAL 146 HA VAL 146 17.599 4.426 19.811 938 HB VAL 146 HB VAL 146 16.316 2.573 20.976 939 HG11 VAL 146 1HG1 VAL 146 14.127 2.115 20.503 940 HG12 VAL 146 2HG1 VAL 146 14.096 3.876 20.391 941 HG13 VAL 146 3HG1 VAL 146 14.188 2.900 18.925 942 HG21 VAL 146 1HG2 VAL 146 17.581 2.595 18.633 943 HG22 VAL 146 2HG2 VAL 146 16.771 1.157 19.254 944 HG23 VAL 146 3HG2 VAL 146 15.968 2.175 18.059 945 H SER 147 H SER 147 17.086 4.233 17.511 946 HA SER 147 HA SER 147 16.032 6.548 16.425 947 HB2 SER 147 2HB SER 147 17.039 4.021 15.424 948 HB3 SER 147 3HB SER 147 15.702 4.606 14.435 949 HG SER 147 HG SER 147 16.830 6.588 14.230 950 H CYS 148 H CYS 148 14.014 7.217 16.842 951 HA CYS 148 HA CYS 148 11.807 5.952 15.608 952 HB2 CYS 148 2HB CYS 148 12.411 4.903 18.129 953 HB3 CYS 148 3HB CYS 148 11.067 6.003 18.411 954 HG CYS 148 HG CYS 148 10.749 3.857 15.824 955 H ASP 149 H ASP 149 10.865 7.726 14.854 956 HA ASP 149 HA ASP 149 10.278 9.904 16.742 957 HB2 ASP 149 2HB ASP 149 10.782 11.567 15.069 958 HB3 ASP 149 3HB ASP 149 12.180 10.509 15.240 959 H CYS 150 H CYS 150 8.361 8.185 16.536 960 HA CYS 150 HA CYS 150 6.235 9.583 15.281 961 HB2 CYS 150 2HB CYS 150 7.582 7.720 13.631 962 HB3 CYS 150 3HB CYS 150 6.046 6.984 14.074 963 H LYS 151 H LYS 151 4.358 7.565 15.052 964 HA LYS 151 HA LYS 151 3.021 6.125 16.222 965 HB2 LYS 151 2HB LYS 151 5.302 5.927 18.197 966 HB3 LYS 151 3HB LYS 151 3.904 4.863 18.109 967 HG2 LYS 151 2HG LYS 151 6.229 5.070 16.237 968 HG3 LYS 151 3HG LYS 151 5.603 3.653 17.084 969 HD2 LYS 151 2HD LYS 151 3.454 4.133 15.661 970 HD3 LYS 151 3HD LYS 151 4.585 5.003 14.622 971 HE2 LYS 151 2HE LYS 151 4.622 2.091 15.383 972 HE3 LYS 151 3HE LYS 151 4.435 2.791 13.775 973 HZ1 LYS 151 1HZ LYS 151 6.635 2.112 13.831 974 HZ2 LYS 151 2HZ LYS 151 6.869 2.604 15.432 975 HZ3 LYS 151 3HZ LYS 151 6.751 3.759 14.202 976 H THR 152 H THR 152 4.878 7.784 18.775 977 HA THR 152 HA THR 152 2.561 8.370 20.308 978 HB THR 152 HB THR 152 5.303 9.633 20.500 979 HG1 THR 152 HG1 THR 152 4.627 7.143 20.908 980 HG21 THR 152 1HG2 THR 152 4.468 10.877 22.147 981 HG22 THR 152 2HG2 THR 152 3.958 9.419 22.997 982 HG23 THR 152 3HG2 THR 152 2.868 10.199 21.851 983 H ILE 153 H ILE 153 4.718 11.026 19.747 984 HA ILE 153 HA ILE 153 3.228 12.423 17.806 985 HB ILE 153 HB ILE 153 1.453 12.701 19.315 986 HG12 ILE 153 2HG1 ILE 153 1.420 15.083 19.785 987 HG13 ILE 153 3HG1 ILE 153 3.177 15.156 19.708 988 HG21 ILE 153 1HG2 ILE 153 2.051 13.728 21.662 989 HG22 ILE 153 2HG2 ILE 153 2.122 11.989 21.385 990 HG23 ILE 153 3HG2 ILE 153 3.602 12.946 21.358 991 HD11 ILE 153 1HD1 ILE 153 3.216 15.057 17.429 992 HD12 ILE 153 2HD1 ILE 153 1.684 14.188 17.329 993 HD13 ILE 153 3HD1 ILE 153 1.697 15.914 17.690 994 H THR 154 H THR 154 4.877 13.466 16.913 995 HA THR 154 HA THR 154 7.056 14.480 18.545 996 HB THR 154 HB THR 154 8.123 15.058 16.387 997 HG1 THR 154 HG1 THR 154 5.573 14.482 15.472 998 HG21 THR 154 1HG2 THR 154 8.460 12.765 15.598 999 HG22 THR 154 2HG2 THR 154 7.043 12.239 16.507 1000 HG23 THR 154 3HG2 THR 154 8.466 12.836 17.360 1001 H CYS 155 H CYS 155 7.658 16.627 18.719 1002 HA CYS 155 HA CYS 155 6.214 18.711 17.365 1003 HB2 CYS 155 2HB CYS 155 5.168 19.720 19.269 1004 HB3 CYS 155 3HB CYS 155 4.667 18.033 19.228 1005 H ASN 156 H ASN 156 8.431 19.083 16.746 1006 HA ASN 156 HA ASN 156 9.740 20.930 18.544 1007 HB2 ASN 156 2HB ASN 156 10.633 18.220 18.363 1008 HB3 ASN 156 3HB ASN 156 11.846 19.258 17.619 1009 HD21 ASN 156 1HD2 ASN 156 11.383 21.548 19.214 1010 HD22 ASN 156 2HD2 ASN 156 11.957 21.204 20.807 1011 H GLU 157 H GLU 157 11.675 21.947 17.468 1012 HA GLU 157 HA GLU 157 10.994 23.048 15.026 1013 HB2 GLU 157 2HB GLU 157 13.673 22.768 16.380 1014 HB3 GLU 157 3HB GLU 157 13.462 23.666 14.884 1015 HG2 GLU 157 2HG GLU 157 12.173 24.252 17.537 1016 HG3 GLU 157 3HG GLU 157 13.440 25.184 16.741 1017 H ASP 158 H ASP 158 14.150 21.822 14.712 1018 HA ASP 158 HA ASP 158 13.359 20.320 12.349 1019 HB2 ASP 158 2HB ASP 158 15.979 21.332 13.418 1020 HB3 ASP 158 3HB ASP 158 15.940 20.119 12.141 1021 H HIS 159 H HIS 159 12.749 19.267 14.999 1022 HA HIS 159 HA HIS 159 13.754 16.603 14.601 1023 HB2 HIS 159 2HB HIS 159 14.504 16.542 17.102 1024 HB3 HIS 159 3HB HIS 159 15.611 17.160 15.879 1025 HD1 HIS 159 HD1 HIS 159 13.518 18.239 18.781 1026 HD2 HIS 159 HD2 HIS 159 16.166 19.900 16.043 1027 HE1 HIS 159 HE1 HIS 159 14.052 20.531 19.668 1028 HA PRO 160 HA PRO 160 9.876 15.555 16.369 1029 HB2 PRO 160 2HB PRO 160 10.420 13.117 17.432 1030 HB3 PRO 160 3HB PRO 160 10.285 13.397 15.692 1031 HG2 PRO 160 2HG PRO 160 12.740 13.190 17.392 1032 HG3 PRO 160 3HG PRO 160 12.425 12.494 15.792 1033 HD2 PRO 160 2HD PRO 160 13.887 14.746 16.139 1034 HD3 PRO 160 3HD PRO 160 12.880 14.473 14.703 1035 H CYS 161 H CYS 161 8.741 15.176 18.362 1036 HA CYS 161 HA CYS 161 10.198 15.229 20.853 1037 HB2 CYS 161 2HB CYS 161 10.231 17.464 21.056 1038 HB3 CYS 161 3HB CYS 161 9.181 17.676 19.658 1039 H TYR 162 H TYR 162 9.140 13.868 22.120 1040 HA TYR 162 HA TYR 162 6.320 13.328 21.636 1041 HB2 TYR 162 2HB TYR 162 8.323 11.977 23.455 1042 HB3 TYR 162 3HB TYR 162 6.659 11.452 23.229 1043 HD1 TYR 162 HD1 TYR 162 6.515 11.962 20.230 1044 HD2 TYR 162 HD2 TYR 162 9.436 10.042 22.655 1045 HE1 TYR 162 HE1 TYR 162 7.206 10.595 18.305 1046 HE2 TYR 162 HE2 TYR 162 10.136 8.671 20.737 1047 HH TYR 162 HH TYR 162 9.821 8.204 18.595 1048 H HIS 163 H HIS 163 5.077 14.882 22.534 1049 HA HIS 163 HA HIS 163 5.564 15.588 25.348 1050 HB2 HIS 163 2HB HIS 163 4.455 17.643 24.971 1051 HB3 HIS 163 3HB HIS 163 5.485 17.409 23.562 1052 HD1 HIS 163 HD1 HIS 163 4.200 16.471 21.375 1053 HD2 HIS 163 HD2 HIS 163 1.822 18.040 24.400 1054 HE1 HIS 163 HE1 HIS 163 1.969 16.928 20.308 1055 H SER 164 H SER 164 2.970 14.773 23.062 1056 HA SER 164 HA SER 164 1.264 14.056 25.349 1057 HB2 SER 164 2HB SER 164 0.612 14.862 22.517 1058 HB3 SER 164 3HB SER 164 -0.579 14.091 23.565 1059 HG SER 164 HG SER 164 0.197 15.902 25.083 1060 H TYR 165 H TYR 165 -0.533 12.395 24.121 1061 HA TYR 165 HA TYR 165 1.017 10.199 22.963 1062 HB2 TYR 165 2HB TYR 165 -0.219 8.622 24.544 1063 HB3 TYR 165 3HB TYR 165 1.084 9.577 25.242 1064 HD1 TYR 165 HD1 TYR 165 -2.468 8.872 25.285 1065 HD2 TYR 165 HD2 TYR 165 0.541 11.542 26.669 1066 HE1 TYR 165 HE1 TYR 165 -4.019 9.725 26.993 1067 HE2 TYR 165 HE2 TYR 165 -1.001 12.402 28.381 1068 HH TYR 165 HH TYR 165 -4.311 11.807 28.338 1069 H GLU 166 H GLU 166 0.025 9.789 21.106 1070 HA GLU 166 HA GLU 166 -2.636 8.868 20.978 1071 HB2 GLU 166 2HB GLU 166 -2.519 11.628 21.026 1072 HB3 GLU 166 3HB GLU 166 -2.609 11.266 19.308 1073 HG2 GLU 166 2HG GLU 166 -4.822 11.379 19.769 1074 HG3 GLU 166 3HG GLU 166 -4.555 9.671 20.113 1075 H GLU 167 H GLU 167 -2.977 7.741 19.124 1076 HA GLU 167 HA GLU 167 -0.968 6.829 17.559 1077 HB2 GLU 167 2HB GLU 167 -2.750 6.422 15.779 1078 HB3 GLU 167 3HB GLU 167 -3.046 5.739 17.371 1079 HG2 GLU 167 2HG GLU 167 -4.584 7.503 17.903 1080 HG3 GLU 167 3HG GLU 167 -4.205 8.338 16.398 1081 H ASP 168 H ASP 168 0.421 8.671 17.212 1082 HA ASP 168 HA ASP 168 -0.058 9.884 14.627 1083 HB2 ASP 168 2HB ASP 168 -0.900 11.349 16.742 1084 HB3 ASP 168 3HB ASP 168 0.780 11.872 16.653 1085 H GLY 169 H GLY 169 1.999 11.881 14.956 1086 HA2 GLY 169 2HA GLY 169 4.397 11.344 15.962 1087 HA3 GLY 169 3HA GLY 169 4.303 10.109 14.715 1088 H VAL 170 H VAL 170 6.241 11.238 13.910 1089 HA VAL 170 HA VAL 170 6.250 13.864 12.969 1090 HB VAL 170 HB VAL 170 7.854 11.439 12.434 1091 HG11 VAL 170 1HG1 VAL 170 9.089 12.697 10.604 1092 HG12 VAL 170 2HG1 VAL 170 7.536 11.984 10.164 1093 HG13 VAL 170 3HG1 VAL 170 7.655 13.715 10.481 1094 HG21 VAL 170 1HG2 VAL 170 9.200 12.588 13.775 1095 HG22 VAL 170 2HG2 VAL 170 9.393 13.798 12.507 1096 HG23 VAL 170 3HG2 VAL 170 8.122 13.983 13.715 1097 H THR 171 H THR 171 5.557 14.845 11.146 1098 HA THR 171 HA THR 171 3.972 13.213 9.281 1099 HB THR 171 HB THR 171 2.814 15.300 8.669 1100 HG1 THR 171 HG1 THR 171 3.284 17.054 10.365 1101 HG21 THR 171 1HG2 THR 171 2.363 15.609 11.474 1102 HG22 THR 171 2HG2 THR 171 2.622 13.901 11.121 1103 HG23 THR 171 3HG2 THR 171 1.358 14.795 10.276 1104 H LYS 172 H LYS 172 5.324 12.627 7.671 1105 HA LYS 172 HA LYS 172 6.977 14.712 6.419 1106 HB2 LYS 172 2HB LYS 172 7.222 11.733 6.611 1107 HB3 LYS 172 3HB LYS 172 7.979 12.577 5.266 1108 HG2 LYS 172 2HG LYS 172 9.621 13.396 6.544 1109 HG3 LYS 172 3HG LYS 172 8.532 13.760 7.885 1110 HD2 LYS 172 2HD LYS 172 10.103 12.084 8.597 1111 HD3 LYS 172 3HD LYS 172 8.509 11.340 8.450 1112 HE2 LYS 172 2HE LYS 172 9.320 9.846 7.023 1113 HE3 LYS 172 3HE LYS 172 9.840 11.137 5.942 1114 HZ1 LYS 172 1HZ LYS 172 11.483 9.409 7.212 1115 HZ2 LYS 172 2HZ LYS 172 11.566 10.770 8.213 1116 HZ3 LYS 172 3HZ LYS 172 11.953 10.903 6.572 1117 H SER 173 H SER 173 5.530 15.679 5.044 1118 HA SER 173 HA SER 173 4.358 13.947 2.966 1119 HB2 SER 173 2HB SER 173 3.300 16.632 3.877 1120 HB3 SER 173 3HB SER 173 2.533 15.520 2.744 1121 HG SER 173 HG SER 173 2.973 15.133 5.518 1122 H ASP 174 H ASP 174 6.980 15.521 3.258 1123 HA ASP 174 HA ASP 174 6.743 17.345 0.986 1124 HB2 ASP 174 2HB ASP 174 8.136 17.601 3.295 1125 HB3 ASP 174 3HB ASP 174 9.383 16.924 2.251 1126 H CYS 175 H CYS 175 8.925 14.709 2.003 1127 HA CYS 175 HA CYS 175 9.052 13.838 -0.796 1128 HB2 CYS 175 2HB CYS 175 11.067 15.263 -0.076 1129 HB3 CYS 175 3HB CYS 175 11.514 13.896 0.938 1130 HG CYS 175 HG CYS 175 12.993 12.967 -0.950 1131 H ASP 176 H ASP 176 8.050 13.018 2.086 1132 HA ASP 176 HA ASP 176 7.744 11.093 3.269 1133 HB2 ASP 176 2HB ASP 176 7.929 10.176 0.422 1134 HB3 ASP 176 3HB ASP 176 7.784 8.984 1.711 1135 H CYS 177 H CYS 177 10.466 12.119 3.087 1136 HA CYS 177 HA CYS 177 11.827 9.778 4.089 1137 HB2 CYS 177 2HB CYS 177 12.153 10.187 1.440 1138 HB3 CYS 177 3HB CYS 177 13.440 11.213 2.062 1139 HG CYS 177 HG CYS 177 13.153 7.842 2.173 1140 H GLU 178 H GLU 178 14.136 10.419 4.784 1141 HA GLU 178 HA GLU 178 14.010 12.395 6.700 1142 HB2 GLU 178 2HB GLU 178 16.045 10.678 5.592 1143 HB3 GLU 178 3HB GLU 178 16.714 12.267 5.936 1144 HG2 GLU 178 2HG GLU 178 16.917 11.669 8.051 1145 HG3 GLU 178 3HG GLU 178 15.160 11.599 8.164 1146 H HIS 179 H HIS 179 13.687 14.499 6.457 1147 HA HIS 179 HA HIS 179 14.126 15.906 4.045 1148 HB2 HIS 179 2HB HIS 179 13.580 16.844 6.863 1149 HB3 HIS 179 3HB HIS 179 13.711 17.946 5.496 1150 HD1 HIS 179 HD1 HIS 179 11.861 14.631 5.720 1151 HD2 HIS 179 HD2 HIS 179 11.141 18.663 5.022 1152 HE1 HIS 179 HE1 HIS 179 9.423 14.785 5.123 1153 H SER 180 H SER 180 15.362 18.172 4.344 1154 HA SER 180 HA SER 180 18.066 17.635 4.139 1155 HB2 SER 180 2HB SER 180 17.830 20.312 5.048 1156 HB3 SER 180 3HB SER 180 17.999 19.743 3.387 1157 HG SER 180 HG SER 180 15.876 19.900 3.094 1158 HA PRO 181 HA PRO 181 18.733 19.208 8.653 1159 HB2 PRO 181 2HB PRO 181 16.524 19.630 10.174 1160 HB3 PRO 181 3HB PRO 181 17.244 20.884 9.157 1161 HG2 PRO 181 2HG PRO 181 14.881 19.128 8.611 1162 HG3 PRO 181 3HG PRO 181 15.081 20.863 8.304 1163 HD2 PRO 181 2HD PRO 181 15.344 18.999 6.357 1164 HD3 PRO 181 3HD PRO 181 16.276 20.510 6.365 1165 H GLY 182 H GLY 182 19.015 17.966 10.525 1166 HA2 GLY 182 2HA GLY 182 17.679 15.340 10.433 1167 HA3 GLY 182 3HA GLY 182 19.277 15.634 11.102 1168 HA PRO 183 HA PRO 183 15.820 15.771 14.375 1169 HB2 PRO 183 2HB PRO 183 16.268 13.353 15.526 1170 HB3 PRO 183 3HB PRO 183 15.128 13.587 14.196 1171 HG2 PRO 183 2HG PRO 183 17.940 12.564 14.121 1172 HG3 PRO 183 3HG PRO 183 16.508 11.964 13.265 1173 HD2 PRO 183 2HD PRO 183 18.367 13.531 12.074 1174 HD3 PRO 183 3HD PRO 183 16.648 13.586 11.634 1175 H SER 184 H SER 184 16.328 14.982 16.832 1176 HA SER 184 HA SER 184 18.296 16.665 17.799 1177 HB2 SER 184 2HB SER 184 16.578 15.899 19.282 1178 HB3 SER 184 3HB SER 184 17.042 14.214 19.048 1179 HG SER 184 HG SER 184 18.189 16.173 20.642 1180 H GLU 185 H GLU 185 18.480 13.167 17.219 1181 HA GLU 185 HA GLU 185 21.379 13.289 17.675 1182 HB2 GLU 185 2HB GLU 185 19.683 10.807 17.405 1183 HB3 GLU 185 3HB GLU 185 21.330 10.918 18.011 1184 HG2 GLU 185 2HG GLU 185 18.952 12.179 19.352 1185 HG3 GLU 185 3HG GLU 185 19.604 10.595 19.766 Start of MODEL 8 1 H1 MET 1 H MET 1 -2.794 0.138 4.094 2 HA MET 1 HA MET 1 -5.059 1.305 2.767 3 HB2 MET 1 2HB MET 1 -4.357 1.270 5.329 4 HB3 MET 1 3HB MET 1 -3.564 2.776 4.886 5 HG2 MET 1 2HG MET 1 -6.379 2.436 4.046 6 HG3 MET 1 3HG MET 1 -6.068 2.665 5.765 7 HE1 MET 1 1HE MET 1 -4.473 4.322 6.622 8 HE2 MET 1 2HE MET 1 -3.380 5.054 5.447 9 HE3 MET 1 3HE MET 1 -4.644 6.026 6.201 10 H ALA 2 H ALA 2 -3.500 1.414 0.768 11 HA ALA 2 HA ALA 2 -2.818 4.216 0.467 12 HB1 ALA 2 1HB ALA 2 -0.789 2.485 1.159 13 HB2 ALA 2 2HB ALA 2 -0.651 2.595 -0.596 14 HB3 ALA 2 3HB ALA 2 -0.595 4.058 0.386 15 H HIS 3 H HIS 3 -2.882 4.924 -1.654 16 HA HIS 3 HA HIS 3 -3.634 2.903 -3.663 17 HB2 HIS 3 2HB HIS 3 -5.538 4.355 -2.838 18 HB3 HIS 3 3HB HIS 3 -4.708 5.725 -3.568 19 HD1 HIS 3 HD1 HIS 3 -5.782 2.266 -4.767 20 HD2 HIS 3 HD2 HIS 3 -5.693 6.225 -6.023 21 HE1 HIS 3 HE1 HIS 3 -6.826 2.269 -7.055 22 H GLU 4 H GLU 4 -1.850 2.730 -4.889 23 HA GLU 4 HA GLU 4 -1.023 5.033 -6.427 24 HB2 GLU 4 2HB GLU 4 0.386 4.497 -4.108 25 HB3 GLU 4 3HB GLU 4 1.342 3.702 -5.351 26 HG2 GLU 4 2HG GLU 4 0.450 6.440 -5.967 27 HG3 GLU 4 3HG GLU 4 1.626 6.279 -4.664 28 H GLU 5 H GLU 5 0.722 4.380 -8.038 29 HA GLU 5 HA GLU 5 -0.160 2.025 -9.388 30 HB2 GLU 5 2HB GLU 5 1.470 4.336 -9.987 31 HB3 GLU 5 3HB GLU 5 2.240 2.867 -10.572 32 HG2 GLU 5 2HG GLU 5 -0.604 3.630 -11.180 33 HG3 GLU 5 3HG GLU 5 0.767 3.999 -12.225 34 H ASP 6 H ASP 6 1.602 0.514 -10.335 35 HA ASP 6 HA ASP 6 3.155 -1.120 -10.010 36 HB2 ASP 6 2HB ASP 6 4.428 1.083 -9.148 37 HB3 ASP 6 3HB ASP 6 4.371 0.182 -7.635 38 H GLY 7 H GLY 7 0.612 -0.719 -8.305 39 HA2 GLY 7 2HA GLY 7 -0.494 -1.867 -6.653 40 HA3 GLY 7 3HA GLY 7 0.631 -3.172 -6.998 41 H VAL 8 H VAL 8 -0.125 -0.508 -4.906 42 HA VAL 8 HA VAL 8 2.151 -1.212 -3.175 43 HB VAL 8 HB VAL 8 2.260 1.099 -3.694 44 HG11 VAL 8 1HG1 VAL 8 0.359 1.970 -4.512 45 HG12 VAL 8 2HG1 VAL 8 -0.663 0.939 -3.509 46 HG13 VAL 8 3HG1 VAL 8 0.039 2.410 -2.835 47 HG21 VAL 8 1HG2 VAL 8 0.873 1.348 -1.083 48 HG22 VAL 8 2HG2 VAL 8 2.244 0.243 -1.177 49 HG23 VAL 8 3HG2 VAL 8 2.454 1.946 -1.587 50 H CYS 9 H CYS 9 1.291 -2.928 -2.047 51 HA CYS 9 HA CYS 9 -0.576 -2.238 0.044 52 HB2 CYS 9 2HB CYS 9 -1.970 -4.339 -0.518 53 HB3 CYS 9 3HB CYS 9 -2.259 -2.875 -1.451 54 HG CYS 9 HG CYS 9 -0.047 -5.120 -2.690 55 H ASN 10 H ASN 10 -0.844 -4.056 1.608 56 HA ASN 10 HA ASN 10 1.712 -5.214 2.161 57 HB2 ASN 10 2HB ASN 10 0.844 -5.795 4.243 58 HB3 ASN 10 3HB ASN 10 -0.107 -4.373 3.823 59 HD21 ASN 10 1HD2 ASN 10 -2.166 -4.894 2.603 60 HD22 ASN 10 2HD2 ASN 10 -3.087 -6.231 3.192 61 H SER 11 H SER 11 -1.338 -6.369 0.879 62 HA SER 11 HA SER 11 -0.362 -9.124 0.846 63 HB2 SER 11 2HB SER 11 -2.644 -8.861 1.595 64 HB3 SER 11 3HB SER 11 -3.056 -7.931 0.154 65 HG SER 11 HG SER 11 -2.006 -10.498 -0.188 66 H ASN 12 H ASN 12 -2.562 -8.247 -1.618 67 HA ASN 12 HA ASN 12 -0.577 -7.732 -3.643 68 HB2 ASN 12 2HB ASN 12 -0.525 -10.232 -3.324 69 HB3 ASN 12 3HB ASN 12 -2.200 -10.272 -3.866 70 HD21 ASN 12 1HD2 ASN 12 0.987 -9.076 -4.842 71 HD22 ASN 12 2HD2 ASN 12 0.778 -9.387 -6.529 72 H ALA 13 H ALA 13 -3.196 -6.746 -2.441 73 HA ALA 13 HA ALA 13 -4.245 -5.517 -4.703 74 HB1 ALA 13 1HB ALA 13 -6.510 -7.110 -4.169 75 HB2 ALA 13 2HB ALA 13 -5.564 -7.024 -5.655 76 HB3 ALA 13 3HB ALA 13 -5.152 -8.208 -4.416 77 HA PRO 14 HA PRO 14 -7.379 -4.903 -1.088 78 HB2 PRO 14 2HB PRO 14 -7.114 -6.494 1.096 79 HB3 PRO 14 3HB PRO 14 -8.111 -6.932 -0.296 80 HG2 PRO 14 2HG PRO 14 -5.335 -7.812 0.397 81 HG3 PRO 14 3HG PRO 14 -6.693 -8.773 -0.219 82 HD2 PRO 14 2HD PRO 14 -4.682 -7.904 -1.811 83 HD3 PRO 14 3HD PRO 14 -6.347 -8.096 -2.396 84 H CYS 15 H CYS 15 -5.591 -3.218 -1.209 85 HA CYS 15 HA CYS 15 -3.440 -3.042 0.495 86 HB2 CYS 15 2HB CYS 15 -3.843 -0.530 0.400 87 HB3 CYS 15 3HB CYS 15 -3.691 -1.354 -1.147 88 HG CYS 15 HG CYS 15 -5.995 0.670 -0.279 89 H TYR 16 H TYR 16 -3.519 -3.582 2.590 90 HA TYR 16 HA TYR 16 -5.086 -1.932 4.379 91 HB2 TYR 16 2HB TYR 16 -5.547 -4.894 4.094 92 HB3 TYR 16 3HB TYR 16 -5.913 -4.043 5.590 93 HD1 TYR 16 HD1 TYR 16 -7.418 -1.890 5.289 94 HD2 TYR 16 HD2 TYR 16 -7.217 -5.105 2.511 95 HE1 TYR 16 HE1 TYR 16 -9.612 -1.240 4.388 96 HE2 TYR 16 HE2 TYR 16 -9.410 -4.464 1.601 97 HH TYR 16 HH TYR 16 -11.528 -3.105 2.692 98 H HIS 17 H HIS 17 -3.490 -1.225 5.641 99 HA HIS 17 HA HIS 17 -1.170 -2.783 6.247 100 HB2 HIS 17 2HB HIS 17 -1.229 -0.268 6.053 101 HB3 HIS 17 3HB HIS 17 -2.066 -0.235 7.602 102 HD1 HIS 17 HD1 HIS 17 -0.652 -1.350 9.645 103 HD2 HIS 17 HD2 HIS 17 1.480 -0.278 6.245 104 HE1 HIS 17 HE1 HIS 17 1.755 -1.249 10.366 105 H CYS 18 H CYS 18 -0.451 -2.901 8.636 106 HA CYS 18 HA CYS 18 -2.426 -3.199 10.650 107 HB2 CYS 18 2HB CYS 18 -2.703 -5.251 9.052 108 HB3 CYS 18 3HB CYS 18 -1.250 -5.839 9.851 109 HG CYS 18 HG CYS 18 -3.021 -5.010 12.330 110 H ASP 19 H ASP 19 -1.251 -2.395 12.259 111 HA ASP 19 HA ASP 19 0.871 -1.766 13.184 112 HB2 ASP 19 2HB ASP 19 0.045 -4.495 14.194 113 HB3 ASP 19 3HB ASP 19 1.198 -3.440 15.006 114 H ALA 20 H ALA 20 1.937 -4.834 13.894 115 HA ALA 20 HA ALA 20 4.412 -4.528 12.617 116 HB1 ALA 20 1HB ALA 20 4.145 -5.924 14.580 117 HB2 ALA 20 2HB ALA 20 3.118 -7.037 13.677 118 HB3 ALA 20 3HB ALA 20 4.822 -6.867 13.252 119 H ASN 21 H ASN 21 1.640 -6.594 11.767 120 HA ASN 21 HA ASN 21 2.627 -7.909 9.581 121 HB2 ASN 21 2HB ASN 21 -0.077 -6.899 9.101 122 HB3 ASN 21 3HB ASN 21 0.491 -8.558 9.271 123 HD21 ASN 21 1HD2 ASN 21 0.316 -5.713 11.391 124 HD22 ASN 21 2HD2 ASN 21 -0.472 -6.526 12.696 125 H GLY 22 H GLY 22 0.949 -4.758 9.490 126 HA2 GLY 22 2HA GLY 22 1.228 -4.232 6.783 127 HA3 GLY 22 3HA GLY 22 1.140 -2.996 8.030 128 H GLU 23 H GLU 23 3.473 -3.375 9.407 129 HA GLU 23 HA GLU 23 5.358 -2.140 7.667 130 HB2 GLU 23 2HB GLU 23 6.453 -1.572 9.559 131 HB3 GLU 23 3HB GLU 23 4.979 -2.113 10.350 132 HG2 GLU 23 2HG GLU 23 6.563 -3.226 11.562 133 HG3 GLU 23 3HG GLU 23 6.166 -4.434 10.342 134 H ASN 24 H ASN 24 4.662 -5.386 8.473 135 HA ASN 24 HA ASN 24 7.295 -6.410 7.875 136 HB2 ASN 24 2HB ASN 24 4.807 -7.455 8.963 137 HB3 ASN 24 3HB ASN 24 5.514 -8.549 7.779 138 HD21 ASN 24 1HD2 ASN 24 5.927 -10.045 9.436 139 HD22 ASN 24 2HD2 ASN 24 7.249 -9.832 10.529 140 H CYS 25 H CYS 25 4.245 -5.961 6.220 141 HA CYS 25 HA CYS 25 5.330 -7.272 3.827 142 HB2 CYS 25 2HB CYS 25 2.606 -6.848 4.899 143 HB3 CYS 25 3HB CYS 25 2.770 -6.696 3.154 144 HG CYS 25 HG CYS 25 4.133 -9.301 3.097 145 H SER 26 H SER 26 3.584 -4.326 4.801 146 HA SER 26 HA SER 26 5.110 -2.798 2.853 147 HB2 SER 26 2HB SER 26 3.148 -1.821 1.793 148 HB3 SER 26 3HB SER 26 3.100 -3.575 1.616 149 HG SER 26 HG SER 26 1.792 -3.370 3.701 150 H CYS 27 H CYS 27 5.982 -1.357 4.204 151 HA CYS 27 HA CYS 27 4.430 -0.254 6.399 152 HB2 CYS 27 2HB CYS 27 6.590 0.934 6.930 153 HB3 CYS 27 3HB CYS 27 6.682 -0.823 6.951 154 HG CYS 27 HG CYS 27 7.439 0.231 3.939 155 H ASN 28 H ASN 28 2.883 0.896 5.109 156 HA ASN 28 HA ASN 28 3.606 3.614 4.680 157 HB2 ASN 28 2HB ASN 28 2.831 3.549 2.210 158 HB3 ASN 28 3HB ASN 28 4.477 3.045 2.583 159 HD21 ASN 28 1HD2 ASN 28 1.296 1.995 1.652 160 HD22 ASN 28 2HD2 ASN 28 1.753 0.412 1.131 161 H CYS 29 H CYS 29 1.693 2.179 6.218 162 HA CYS 29 HA CYS 29 -0.610 3.724 5.732 163 HB2 CYS 29 2HB CYS 29 -1.885 1.272 5.467 164 HB3 CYS 29 3HB CYS 29 -1.665 2.472 4.200 165 HG CYS 29 HG CYS 29 -0.643 -0.571 4.207 166 H GLU 30 H GLU 30 -2.570 2.579 7.037 167 HA GLU 30 HA GLU 30 -1.669 1.106 9.347 168 HB2 GLU 30 2HB GLU 30 -2.559 2.893 10.926 169 HB3 GLU 30 3HB GLU 30 -1.002 3.212 10.174 170 HG2 GLU 30 2HG GLU 30 -3.337 4.235 8.714 171 HG3 GLU 30 3HG GLU 30 -3.034 4.980 10.282 172 H LEU 31 H LEU 31 -3.210 -0.416 9.182 173 HA LEU 31 HA LEU 31 -5.922 0.303 9.816 174 HB2 LEU 31 2HB LEU 31 -5.133 -0.176 7.082 175 HB3 LEU 31 3HB LEU 31 -6.315 -1.370 7.615 176 HG LEU 31 HG LEU 31 -6.689 1.624 7.694 177 HD11 LEU 31 1HD1 LEU 31 -6.720 0.096 5.470 178 HD12 LEU 31 2HD1 LEU 31 -7.720 1.530 5.698 179 HD13 LEU 31 3HD1 LEU 31 -8.394 -0.071 6.001 180 HD21 LEU 31 1HD2 LEU 31 -8.470 -0.680 8.450 181 HD22 LEU 31 2HD2 LEU 31 -9.079 0.943 8.126 182 HD23 LEU 31 3HD2 LEU 31 -7.953 0.673 9.457 183 H PHE 32 H PHE 32 -7.279 -1.944 9.388 184 HA PHE 32 HA PHE 32 -5.758 -3.945 10.909 185 HB2 PHE 32 2HB PHE 32 -8.150 -4.862 11.322 186 HB3 PHE 32 3HB PHE 32 -7.645 -3.405 12.172 187 HD1 PHE 32 HD1 PHE 32 -8.522 -1.219 11.519 188 HD2 PHE 32 HD2 PHE 32 -9.867 -4.804 9.660 189 HE1 PHE 32 HE1 PHE 32 -10.469 -0.016 10.615 190 HE2 PHE 32 HE2 PHE 32 -11.815 -3.607 8.752 191 HZ PHE 32 HZ PHE 32 -12.118 -1.210 9.228 192 H ASP 33 H ASP 33 -4.849 -5.361 9.549 193 HA ASP 33 HA ASP 33 -6.583 -6.606 7.518 194 HB2 ASP 33 2HB ASP 33 -4.668 -5.050 6.697 195 HB3 ASP 33 3HB ASP 33 -3.610 -6.383 7.152 196 H CYS 34 H CYS 34 -5.675 -8.788 6.811 197 HA CYS 34 HA CYS 34 -4.176 -10.199 8.858 198 HB2 CYS 34 2HB CYS 34 -6.923 -11.196 8.101 199 HB3 CYS 34 3HB CYS 34 -5.856 -11.824 9.352 200 H GLU 35 H GLU 35 -2.974 -11.801 8.014 201 HA GLU 35 HA GLU 35 -3.388 -12.432 5.175 202 HB2 GLU 35 2HB GLU 35 -1.052 -11.879 6.776 203 HB3 GLU 35 3HB GLU 35 -0.906 -13.454 6.008 204 HG2 GLU 35 2HG GLU 35 -1.877 -11.382 4.207 205 HG3 GLU 35 3HG GLU 35 -0.278 -11.046 4.870 206 H ALA 36 H ALA 36 -2.578 -14.692 4.566 207 HA ALA 36 HA ALA 36 -3.235 -16.678 6.621 208 HB1 ALA 36 1HB ALA 36 -4.366 -17.761 4.358 209 HB2 ALA 36 2HB ALA 36 -5.237 -17.005 5.693 210 HB3 ALA 36 3HB ALA 36 -4.822 -16.060 4.263 211 H LYS 37 H LYS 37 -1.758 -18.233 6.692 212 HA LYS 37 HA LYS 37 -0.251 -18.867 4.244 213 HB2 LYS 37 2HB LYS 37 1.007 -18.940 6.975 214 HB3 LYS 37 3HB LYS 37 1.798 -18.942 5.404 215 HG2 LYS 37 2HG LYS 37 0.240 -16.608 6.489 216 HG3 LYS 37 3HG LYS 37 1.985 -16.804 6.672 217 HD2 LYS 37 2HD LYS 37 0.517 -16.701 4.037 218 HD3 LYS 37 3HD LYS 37 1.377 -15.346 4.772 219 HE2 LYS 37 2HE LYS 37 3.148 -16.060 3.608 220 HE3 LYS 37 3HE LYS 37 3.258 -17.342 4.814 221 HZ1 LYS 37 1HZ LYS 37 3.165 -17.905 2.287 222 HZ2 LYS 37 2HZ LYS 37 1.497 -17.722 2.497 223 HZ3 LYS 37 3HZ LYS 37 2.342 -18.872 3.405 224 H LYS 38 H LYS 38 -0.223 -20.959 3.730 225 HA LYS 38 HA LYS 38 -1.300 -22.875 5.666 226 HB2 LYS 38 2HB LYS 38 -1.119 -22.786 2.683 227 HB3 LYS 38 3HB LYS 38 -1.229 -24.350 3.481 228 HG2 LYS 38 2HG LYS 38 -3.196 -22.107 3.884 229 HG3 LYS 38 3HG LYS 38 -3.408 -23.425 2.729 230 HD2 LYS 38 2HD LYS 38 -3.343 -25.047 4.545 231 HD3 LYS 38 3HD LYS 38 -3.073 -23.750 5.712 232 HE2 LYS 38 2HE LYS 38 -5.240 -23.145 5.725 233 HE3 LYS 38 3HE LYS 38 -5.421 -23.385 3.988 234 HZ1 LYS 38 1HZ LYS 38 -5.122 -25.764 5.657 235 HZ2 LYS 38 2HZ LYS 38 -6.039 -25.537 4.255 236 HZ3 LYS 38 3HZ LYS 38 -6.598 -24.941 5.736 237 HA PRO 39 HA PRO 39 2.427 -25.117 6.249 238 HB2 PRO 39 2HB PRO 39 1.691 -27.711 5.937 239 HB3 PRO 39 3HB PRO 39 1.215 -26.739 7.334 240 HG2 PRO 39 2HG PRO 39 -0.348 -27.406 4.870 241 HG3 PRO 39 3HG PRO 39 -0.879 -27.391 6.562 242 HD2 PRO 39 2HD PRO 39 -1.417 -25.364 4.848 243 HD3 PRO 39 3HD PRO 39 -1.159 -25.103 6.585 244 H ASP 40 H ASP 40 0.800 -25.403 3.234 245 HA ASP 40 HA ASP 40 2.596 -27.104 1.873 246 HB2 ASP 40 2HB ASP 40 0.995 -24.881 0.605 247 HB3 ASP 40 3HB ASP 40 1.526 -26.390 -0.134 248 H GLY 41 H GLY 41 3.484 -24.501 3.416 249 HA2 GLY 41 2HA GLY 41 5.849 -24.097 1.902 250 HA3 GLY 41 3HA GLY 41 4.738 -22.759 1.652 251 H SER 42 H SER 42 3.618 -22.740 4.276 252 HA SER 42 HA SER 42 5.396 -22.678 6.383 253 HB2 SER 42 2HB SER 42 6.706 -20.877 6.137 254 HB3 SER 42 3HB SER 42 6.047 -20.663 4.515 255 HG SER 42 HG SER 42 5.021 -19.570 6.926 256 H TYR 43 H TYR 43 4.147 -22.559 8.122 257 HA TYR 43 HA TYR 43 1.429 -21.638 7.896 258 HB2 TYR 43 2HB TYR 43 2.641 -23.564 9.403 259 HB3 TYR 43 3HB TYR 43 2.454 -22.272 10.584 260 HD1 TYR 43 HD1 TYR 43 0.287 -23.484 7.787 261 HD2 TYR 43 HD2 TYR 43 0.661 -22.736 11.959 262 HE1 TYR 43 HE1 TYR 43 -2.066 -24.125 8.106 263 HE2 TYR 43 HE2 TYR 43 -1.691 -23.376 12.290 264 HH TYR 43 HH TYR 43 -3.636 -24.660 9.645 265 H ALA 44 H ALA 44 0.578 -19.771 8.599 266 HA ALA 44 HA ALA 44 1.365 -18.168 10.678 267 HB1 ALA 44 1HB ALA 44 2.426 -16.485 8.641 268 HB2 ALA 44 2HB ALA 44 3.215 -17.092 10.097 269 HB3 ALA 44 3HB ALA 44 3.282 -18.027 8.603 270 H HIS 45 H HIS 45 0.624 -15.807 10.379 271 HA HIS 45 HA HIS 45 -0.988 -14.924 8.328 272 HB2 HIS 45 2HB HIS 45 -3.272 -15.363 9.510 273 HB3 HIS 45 3HB HIS 45 -2.566 -16.622 8.500 274 HD1 HIS 45 HD1 HIS 45 -3.569 -18.610 9.696 275 HD2 HIS 45 HD2 HIS 45 -1.484 -16.070 12.238 276 HE1 HIS 45 HE1 HIS 45 -3.403 -19.837 11.885 277 HA PRO 46 HA PRO 46 -0.195 -11.954 11.743 278 HB2 PRO 46 2HB PRO 46 0.515 -9.922 10.089 279 HB3 PRO 46 3HB PRO 46 1.650 -11.165 10.625 280 HG2 PRO 46 2HG PRO 46 0.156 -10.952 8.040 281 HG3 PRO 46 3HG PRO 46 1.849 -11.401 8.320 282 HD2 PRO 46 2HD PRO 46 -0.087 -13.236 7.852 283 HD3 PRO 46 3HD PRO 46 1.309 -13.567 8.896 284 H CYS 47 H CYS 47 -1.933 -11.005 12.584 285 HA CYS 47 HA CYS 47 -3.555 -9.222 10.978 286 HB2 CYS 47 2HB CYS 47 -4.579 -11.500 10.695 287 HB3 CYS 47 3HB CYS 47 -4.875 -11.522 12.431 288 H ARG 48 H ARG 48 -4.931 -7.856 12.248 289 HA ARG 48 HA ARG 48 -3.801 -6.853 14.552 290 HB2 ARG 48 2HB ARG 48 -6.085 -5.819 14.963 291 HB3 ARG 48 3HB ARG 48 -5.350 -5.489 13.400 292 HG2 ARG 48 2HG ARG 48 -6.949 -6.590 12.267 293 HG3 ARG 48 3HG ARG 48 -7.104 -7.846 13.496 294 HD2 ARG 48 2HD ARG 48 -8.194 -5.042 13.718 295 HD3 ARG 48 3HD ARG 48 -9.136 -6.468 13.286 296 HE ARG 48 HE ARG 48 -7.986 -7.112 15.674 297 HH11 ARG 48 1HH1 ARG 48 -9.996 -4.508 14.535 298 HH12 ARG 48 2HH1 ARG 48 -10.756 -4.249 16.071 299 HH21 ARG 48 1HH2 ARG 48 -8.979 -6.781 17.701 300 HH22 ARG 48 2HH2 ARG 48 -10.176 -5.542 17.871 301 H ARG 49 H ARG 49 -3.317 -8.921 15.664 302 HA ARG 49 HA ARG 49 -4.768 -9.246 17.983 303 HB2 ARG 49 2HB ARG 49 -5.744 -11.577 17.486 304 HB3 ARG 49 3HB ARG 49 -6.630 -10.170 16.914 305 HG2 ARG 49 2HG ARG 49 -6.264 -10.651 14.735 306 HG3 ARG 49 3HG ARG 49 -4.673 -11.350 15.043 307 HD2 ARG 49 2HD ARG 49 -6.035 -13.151 14.377 308 HD3 ARG 49 3HD ARG 49 -5.894 -13.288 16.129 309 HE ARG 49 HE ARG 49 -8.181 -11.805 15.607 310 HH11 ARG 49 1HH1 ARG 49 -6.983 -15.020 15.019 311 HH12 ARG 49 2HH1 ARG 49 -8.555 -15.749 15.031 312 HH21 ARG 49 1HH2 ARG 49 -10.256 -12.752 15.625 313 HH22 ARG 49 2HH2 ARG 49 -10.416 -14.458 15.375 314 H CYS 50 H CYS 50 -3.453 -10.211 19.394 315 HA CYS 50 HA CYS 50 -0.954 -10.863 19.264 316 HB2 CYS 50 2HB CYS 50 -1.334 -12.860 20.803 317 HB3 CYS 50 3HB CYS 50 -2.034 -11.329 21.316 318 HG CYS 50 HG CYS 50 -3.741 -13.923 19.876 319 H ASP 51 H ASP 51 -0.212 -11.447 17.231 320 HA ASP 51 HA ASP 51 0.245 -14.157 16.756 321 HB2 ASP 51 2HB ASP 51 -2.332 -13.547 16.029 322 HB3 ASP 51 3HB ASP 51 -1.464 -13.352 14.509 323 H ALA 52 H ALA 52 2.146 -14.115 15.775 324 HA ALA 52 HA ALA 52 2.679 -11.966 13.827 325 HB1 ALA 52 1HB ALA 52 4.157 -12.827 16.143 326 HB2 ALA 52 2HB ALA 52 5.140 -12.967 14.685 327 HB3 ALA 52 3HB ALA 52 4.408 -11.420 15.109 328 H ASN 53 H ASN 53 3.938 -12.480 11.986 329 HA ASN 53 HA ASN 53 4.089 -15.359 11.376 330 HB2 ASN 53 2HB ASN 53 3.341 -14.981 9.161 331 HB3 ASN 53 3HB ASN 53 2.244 -14.060 10.185 332 HD21 ASN 53 1HD2 ASN 53 3.575 -11.805 10.722 333 HD22 ASN 53 2HD2 ASN 53 3.920 -10.930 9.273 334 H ASN 54 H ASN 54 6.237 -15.695 11.678 335 HA ASN 54 HA ASN 54 8.034 -14.375 9.793 336 HB2 ASN 54 2HB ASN 54 9.745 -14.305 11.766 337 HB3 ASN 54 3HB ASN 54 8.559 -13.014 11.603 338 HD21 ASN 54 1HD2 ASN 54 6.369 -13.728 12.709 339 HD22 ASN 54 2HD2 ASN 54 6.559 -14.262 14.341 340 H ILE 55 H ILE 55 9.090 -15.897 8.722 341 HA ILE 55 HA ILE 55 9.902 -18.337 10.147 342 HB ILE 55 HB ILE 55 7.834 -18.483 8.490 343 HG12 ILE 55 2HG1 ILE 55 9.635 -20.716 7.933 344 HG13 ILE 55 3HG1 ILE 55 9.605 -20.274 9.637 345 HG21 ILE 55 1HG2 ILE 55 9.512 -17.526 6.694 346 HG22 ILE 55 2HG2 ILE 55 9.952 -19.226 6.539 347 HG23 ILE 55 3HG2 ILE 55 8.286 -18.718 6.261 348 HD11 ILE 55 1HD1 ILE 55 7.443 -21.367 7.920 349 HD12 ILE 55 2HD1 ILE 55 7.917 -21.803 9.563 350 HD13 ILE 55 3HD1 ILE 55 7.010 -20.319 9.271 351 H CYS 56 H CYS 56 11.200 -19.635 8.129 352 HA CYS 56 HA CYS 56 13.697 -18.419 8.069 353 HB2 CYS 56 2HB CYS 56 13.017 -20.875 7.592 354 HB3 CYS 56 3HB CYS 56 12.821 -20.339 5.928 355 HG CYS 56 HG CYS 56 15.520 -19.415 5.774 356 H LYS 57 H LYS 57 14.225 -16.568 7.129 357 HA LYS 57 HA LYS 57 13.232 -14.803 5.612 358 HB2 LYS 57 2HB LYS 57 15.255 -14.621 4.148 359 HB3 LYS 57 3HB LYS 57 15.615 -14.779 5.862 360 HG2 LYS 57 2HG LYS 57 15.860 -17.290 5.360 361 HG3 LYS 57 3HG LYS 57 15.967 -16.787 3.672 362 HD2 LYS 57 2HD LYS 57 18.120 -16.328 3.975 363 HD3 LYS 57 3HD LYS 57 17.671 -15.087 5.147 364 HE2 LYS 57 2HE LYS 57 19.026 -16.406 6.439 365 HE3 LYS 57 3HE LYS 57 17.460 -17.148 6.762 366 HZ1 LYS 57 1HZ LYS 57 18.302 -18.486 4.581 367 HZ2 LYS 57 2HZ LYS 57 18.484 -19.027 6.173 368 HZ3 LYS 57 3HZ LYS 57 19.759 -18.227 5.401 369 H CYS 58 H CYS 58 11.407 -16.543 4.953 370 HA CYS 58 HA CYS 58 11.477 -16.556 2.052 371 HB2 CYS 58 2HB CYS 58 12.423 -18.763 2.746 372 HB3 CYS 58 3HB CYS 58 10.909 -19.107 3.573 373 HG CYS 58 HG CYS 58 11.059 -18.476 0.218 374 H SER 59 H SER 59 9.632 -17.604 4.909 375 HA SER 59 HA SER 59 7.271 -16.282 3.766 376 HB2 SER 59 2HB SER 59 7.279 -19.019 5.063 377 HB3 SER 59 3HB SER 59 5.844 -18.140 4.537 378 HG SER 59 HG SER 59 7.980 -18.954 2.851 379 H CYS 60 H CYS 60 6.300 -17.982 6.389 380 HA CYS 60 HA CYS 60 7.319 -16.358 8.509 381 HB2 CYS 60 2HB CYS 60 4.734 -15.642 8.914 382 HB3 CYS 60 3HB CYS 60 5.927 -14.612 8.132 383 HG CYS 60 HG CYS 60 4.771 -14.463 5.837 384 H THR 61 H THR 61 6.637 -17.060 10.566 385 HA THR 61 HA THR 61 5.482 -19.748 10.539 386 HB THR 61 HB THR 61 6.367 -19.997 12.791 387 HG1 THR 61 HG1 THR 61 7.050 -17.252 12.484 388 HG21 THR 61 1HG2 THR 61 8.046 -20.648 11.379 389 HG22 THR 61 2HG2 THR 61 8.857 -19.305 12.186 390 HG23 THR 61 3HG2 THR 61 8.141 -19.074 10.591 391 H ALA 62 H ALA 62 3.799 -20.361 11.942 392 HA ALA 62 HA ALA 62 1.887 -18.243 12.455 393 HB1 ALA 62 1HB ALA 62 1.424 -21.122 13.125 394 HB2 ALA 62 2HB ALA 62 0.267 -19.894 12.612 395 HB3 ALA 62 3HB ALA 62 1.404 -20.576 11.448 396 H ILE 63 H ILE 63 2.675 -17.106 14.211 397 HA ILE 63 HA ILE 63 2.597 -18.561 16.767 398 HB ILE 63 HB ILE 63 4.318 -16.539 17.343 399 HG12 ILE 63 2HG1 ILE 63 4.886 -17.442 14.514 400 HG13 ILE 63 3HG1 ILE 63 4.572 -15.799 15.063 401 HG21 ILE 63 1HG2 ILE 63 5.452 -19.083 16.279 402 HG22 ILE 63 2HG2 ILE 63 5.851 -18.201 17.753 403 HG23 ILE 63 3HG2 ILE 63 4.359 -19.137 17.662 404 HD11 ILE 63 1HD1 ILE 63 6.659 -15.771 16.274 405 HD12 ILE 63 2HD1 ILE 63 6.964 -17.451 15.833 406 HD13 ILE 63 3HD1 ILE 63 6.940 -16.203 14.588 407 HA PRO 64 HA PRO 64 -0.030 -15.413 18.330 408 HB2 PRO 64 2HB PRO 64 0.932 -14.972 20.830 409 HB3 PRO 64 3HB PRO 64 0.070 -16.447 20.380 410 HG2 PRO 64 2HG PRO 64 3.016 -15.974 20.622 411 HG3 PRO 64 3HG PRO 64 2.058 -17.363 21.166 412 HD2 PRO 64 2HD PRO 64 3.512 -17.401 18.882 413 HD3 PRO 64 3HD PRO 64 1.993 -18.302 19.062 414 H CYS 65 H CYS 65 0.358 -13.329 20.028 415 HA CYS 65 HA CYS 65 1.152 -11.236 18.490 416 HB2 CYS 65 2HB CYS 65 0.119 -11.361 20.923 417 HB3 CYS 65 3HB CYS 65 1.787 -11.078 21.404 418 HG CYS 65 HG CYS 65 2.017 -8.657 20.033 419 H ASN 66 H ASN 66 3.000 -10.670 17.571 420 HA ASN 66 HA ASN 66 5.394 -11.899 17.670 421 HB2 ASN 66 2HB ASN 66 4.593 -9.825 16.290 422 HB3 ASN 66 3HB ASN 66 5.398 -8.901 17.555 423 HD21 ASN 66 1HD2 ASN 66 7.257 -11.335 17.789 424 HD22 ASN 66 2HD2 ASN 66 8.409 -11.073 16.528 425 H GLU 67 H GLU 67 4.097 -9.785 20.095 426 HA GLU 67 HA GLU 67 6.605 -9.411 21.467 427 HB2 GLU 67 2HB GLU 67 5.297 -8.246 23.148 428 HB3 GLU 67 3HB GLU 67 4.832 -7.699 21.543 429 HG2 GLU 67 2HG GLU 67 2.727 -8.132 22.041 430 HG3 GLU 67 3HG GLU 67 3.132 -9.843 22.166 431 H ASP 68 H ASP 68 7.120 -11.709 21.631 432 HA ASP 68 HA ASP 68 5.698 -13.672 22.898 433 HB2 ASP 68 2HB ASP 68 8.040 -13.782 21.849 434 HB3 ASP 68 3HB ASP 68 8.638 -13.290 23.431 435 H HIS 69 H HIS 69 4.455 -12.341 24.449 436 HA HIS 69 HA HIS 69 5.778 -12.378 27.064 437 HB2 HIS 69 2HB HIS 69 4.000 -10.104 26.169 438 HB3 HIS 69 3HB HIS 69 4.888 -10.228 27.685 439 HD1 HIS 69 HD1 HIS 69 5.589 -9.944 23.963 440 HD2 HIS 69 HD2 HIS 69 7.353 -9.086 27.626 441 HE1 HIS 69 HE1 HIS 69 7.695 -8.683 23.416 442 HA PRO 70 HA PRO 70 2.114 -14.249 28.582 443 HB2 PRO 70 2HB PRO 70 1.823 -13.112 31.031 444 HB3 PRO 70 3HB PRO 70 3.094 -14.284 30.660 445 HG2 PRO 70 2HG PRO 70 3.248 -11.297 30.782 446 HG3 PRO 70 3HG PRO 70 4.390 -12.502 31.405 447 HD2 PRO 70 2HD PRO 70 4.791 -11.184 29.074 448 HD3 PRO 70 3HD PRO 70 5.346 -12.850 29.337 449 H CYS 71 H CYS 71 1.695 -11.872 26.911 450 HA CYS 71 HA CYS 71 -0.954 -11.146 27.932 451 HB2 CYS 71 2HB CYS 71 0.658 -9.036 26.559 452 HB3 CYS 71 3HB CYS 71 -0.663 -8.861 27.707 453 HG CYS 71 HG CYS 71 1.128 -9.975 29.792 454 H HIS 72 H HIS 72 -2.386 -11.773 26.472 455 HA HIS 72 HA HIS 72 -1.622 -12.219 23.724 456 HB2 HIS 72 2HB HIS 72 -4.405 -12.435 24.866 457 HB3 HIS 72 3HB HIS 72 -3.744 -13.256 23.455 458 HD1 HIS 72 HD1 HIS 72 -1.340 -14.658 24.424 459 HD2 HIS 72 HD2 HIS 72 -4.743 -14.298 26.781 460 HE1 HIS 72 HE1 HIS 72 -1.192 -16.520 26.108 461 H HIS 73 H HIS 73 -1.122 -9.773 23.668 462 HA HIS 73 HA HIS 73 -3.173 -8.538 22.095 463 HB2 HIS 73 2HB HIS 73 -2.758 -7.721 24.913 464 HB3 HIS 73 3HB HIS 73 -2.878 -6.415 23.737 465 HD1 HIS 73 HD1 HIS 73 -4.917 -8.488 25.832 466 HD2 HIS 73 HD2 HIS 73 -5.368 -6.718 22.100 467 HE1 HIS 73 HE1 HIS 73 -7.394 -8.452 25.400 468 H CYS 74 H CYS 74 -2.425 -6.728 20.924 469 HA CYS 74 HA CYS 74 -0.036 -6.704 19.805 470 HB2 CYS 74 2HB CYS 74 -0.323 -3.979 20.171 471 HB3 CYS 74 3HB CYS 74 -1.062 -4.930 18.888 472 HG CYS 74 HG CYS 74 -3.532 -5.048 19.900 473 H HIS 75 H HIS 75 2.008 -5.669 20.074 474 HA HIS 75 HA HIS 75 3.504 -6.163 22.178 475 HB2 HIS 75 2HB HIS 75 4.513 -5.049 20.327 476 HB3 HIS 75 3HB HIS 75 3.538 -3.604 20.578 477 HD1 HIS 75 HD1 HIS 75 4.178 -2.122 22.683 478 HD2 HIS 75 HD2 HIS 75 6.878 -5.131 21.725 479 HE1 HIS 75 HE1 HIS 75 6.289 -1.550 23.923 480 H GLU 76 H GLU 76 2.714 -6.132 24.220 481 HA GLU 76 HA GLU 76 2.712 -3.669 25.637 482 HB2 GLU 76 2HB GLU 76 0.501 -3.427 24.652 483 HB3 GLU 76 3HB GLU 76 0.044 -5.026 25.222 484 HG2 GLU 76 2HG GLU 76 0.103 -4.311 27.497 485 HG3 GLU 76 3HG GLU 76 0.798 -2.756 27.043 486 H GLU 77 H GLU 77 3.033 -3.991 27.787 487 HA GLU 77 HA GLU 77 2.893 -6.779 28.733 488 HB2 GLU 77 2HB GLU 77 5.195 -6.064 28.556 489 HB3 GLU 77 3HB GLU 77 4.850 -4.596 29.460 490 HG2 GLU 77 2HG GLU 77 4.070 -6.890 30.989 491 HG3 GLU 77 3HG GLU 77 5.741 -7.057 30.451 492 H ASP 78 H ASP 78 0.663 -6.234 29.338 493 HA ASP 78 HA ASP 78 0.591 -5.209 32.062 494 HB2 ASP 78 2HB ASP 78 -0.878 -3.986 29.750 495 HB3 ASP 78 3HB ASP 78 -1.591 -3.951 31.360 496 H ASP 79 H ASP 79 0.320 -7.823 30.791 497 HA ASP 79 HA ASP 79 -2.358 -8.487 31.803 498 HB2 ASP 79 2HB ASP 79 -1.938 -8.495 29.171 499 HB3 ASP 79 3HB ASP 79 -1.276 -10.086 29.534 500 H GLY 80 H GLY 80 -2.580 -10.796 32.396 501 HA2 GLY 80 2HA GLY 80 -0.338 -12.497 32.660 502 HA3 GLY 80 3HA GLY 80 -0.570 -11.605 34.156 503 H ASP 81 H ASP 81 -2.625 -11.826 35.259 504 HA ASP 81 HA ASP 81 -3.807 -14.478 34.784 505 HB2 ASP 81 2HB ASP 81 -2.682 -13.489 37.078 506 HB3 ASP 81 3HB ASP 81 -4.392 -13.162 37.347 507 H THR 82 H THR 82 -6.129 -14.429 36.034 508 HA THR 82 HA THR 82 -7.944 -13.327 34.328 509 HB THR 82 HB THR 82 -8.520 -13.512 37.282 510 HG1 THR 82 HG1 THR 82 -7.694 -15.474 35.578 511 HG21 THR 82 1HG2 THR 82 -10.746 -14.100 36.563 512 HG22 THR 82 2HG2 THR 82 -10.236 -14.128 34.875 513 HG23 THR 82 3HG2 THR 82 -10.268 -12.604 35.762 514 H HIS 83 H HIS 83 -7.420 -11.935 37.570 515 HA HIS 83 HA HIS 83 -8.724 -9.565 37.261 516 HB2 HIS 83 2HB HIS 83 -6.113 -10.001 38.726 517 HB3 HIS 83 3HB HIS 83 -7.181 -8.619 38.953 518 HD1 HIS 83 HD1 HIS 83 -9.559 -11.088 38.613 519 HD2 HIS 83 HD2 HIS 83 -6.770 -10.300 41.590 520 HE1 HIS 83 HE1 HIS 83 -10.440 -12.222 40.678 521 H CYS 84 H CYS 84 -5.321 -10.178 36.425 522 HA CYS 84 HA CYS 84 -4.602 -7.659 35.560 523 HB2 CYS 84 2HB CYS 84 -3.752 -10.401 34.651 524 HB3 CYS 84 3HB CYS 84 -3.053 -8.945 33.952 525 HG CYS 84 HG CYS 84 -1.217 -9.855 35.786 526 H HIS 85 H HIS 85 -6.309 -10.196 33.789 527 HA HIS 85 HA HIS 85 -6.334 -8.878 31.286 528 HB2 HIS 85 2HB HIS 85 -8.121 -11.019 32.447 529 HB3 HIS 85 3HB HIS 85 -8.242 -10.453 30.783 530 HD1 HIS 85 HD1 HIS 85 -4.987 -11.098 32.586 531 HD2 HIS 85 HD2 HIS 85 -7.311 -12.725 29.550 532 HE1 HIS 85 HE1 HIS 85 -3.568 -12.891 31.540 533 H CYS 86 H CYS 86 -8.434 -8.753 34.090 534 HA CYS 86 HA CYS 86 -10.519 -7.284 32.790 535 HB2 CYS 86 2HB CYS 86 -9.891 -7.949 35.655 536 HB3 CYS 86 3HB CYS 86 -11.191 -6.836 35.249 537 HG CYS 86 HG CYS 86 -12.887 -8.762 35.194 538 H SER 87 H SER 87 -7.605 -6.483 34.531 539 HA SER 87 HA SER 87 -8.281 -3.704 34.860 540 HB2 SER 87 2HB SER 87 -5.615 -5.106 35.170 541 HB3 SER 87 3HB SER 87 -5.985 -3.466 35.702 542 HG SER 87 HG SER 87 -7.062 -5.900 36.673 543 H CYS 88 H CYS 88 -6.782 -5.660 32.444 544 HA CYS 88 HA CYS 88 -5.450 -3.473 31.118 545 HB2 CYS 88 2HB CYS 88 -5.025 -6.144 31.109 546 HB3 CYS 88 3HB CYS 88 -5.965 -5.981 29.631 547 HG CYS 88 HG CYS 88 -4.193 -4.025 28.555 548 H GLU 89 H GLU 89 -8.415 -5.337 30.693 549 HA GLU 89 HA GLU 89 -9.152 -4.220 28.202 550 HB2 GLU 89 2HB GLU 89 -10.092 -6.270 29.686 551 HB3 GLU 89 3HB GLU 89 -11.306 -5.054 30.053 552 HG2 GLU 89 2HG GLU 89 -11.065 -4.864 27.328 553 HG3 GLU 89 3HG GLU 89 -10.873 -6.591 27.624 554 H HIS 90 H HIS 90 -9.576 -3.186 31.511 555 HA HIS 90 HA HIS 90 -11.361 -1.020 30.724 556 HB2 HIS 90 2HB HIS 90 -10.293 -1.835 33.435 557 HB3 HIS 90 3HB HIS 90 -11.438 -0.525 33.158 558 HD1 HIS 90 HD1 HIS 90 -11.433 -4.098 31.841 559 HD2 HIS 90 HD2 HIS 90 -13.812 -1.482 34.023 560 HE1 HIS 90 HE1 HIS 90 -13.574 -5.342 32.278 561 H SER 91 H SER 91 -8.039 -1.588 31.558 562 HA SER 91 HA SER 91 -7.411 1.183 32.024 563 HB2 SER 91 2HB SER 91 -6.098 -0.511 33.160 564 HB3 SER 91 3HB SER 91 -5.640 -1.239 31.620 565 HG SER 91 HG SER 91 -5.066 1.453 31.890 566 H HIS 92 H HIS 92 -7.119 -1.106 29.362 567 HA HIS 92 HA HIS 92 -5.643 0.659 27.667 568 HB2 HIS 92 2HB HIS 92 -5.889 -1.949 27.583 569 HB3 HIS 92 3HB HIS 92 -7.309 -1.594 26.603 570 HD1 HIS 92 HD1 HIS 92 -6.921 -1.011 24.192 571 HD2 HIS 92 HD2 HIS 92 -3.413 -1.026 26.418 572 HE1 HIS 92 HE1 HIS 92 -5.061 -0.769 22.517 573 H ASP 93 H ASP 93 -9.020 0.061 28.284 574 HA ASP 93 HA ASP 93 -9.978 1.423 25.950 575 HB2 ASP 93 2HB ASP 93 -11.198 0.216 28.383 576 HB3 ASP 93 3HB ASP 93 -12.137 1.431 27.519 577 H HIS 94 H HIS 94 -8.972 2.352 29.117 578 HA HIS 94 HA HIS 94 -10.239 4.973 28.912 579 HB2 HIS 94 2HB HIS 94 -8.834 3.473 31.089 580 HB3 HIS 94 3HB HIS 94 -8.946 5.228 31.189 581 HD1 HIS 94 HD1 HIS 94 -10.546 2.548 32.605 582 HD2 HIS 94 HD2 HIS 94 -11.979 5.811 30.471 583 HE1 HIS 94 HE1 HIS 94 -12.966 2.765 33.254 584 H HIS 95 H HIS 95 -7.168 3.438 28.481 585 HA HIS 95 HA HIS 95 -5.989 6.056 27.836 586 HB2 HIS 95 2HB HIS 95 -4.624 3.751 29.240 587 HB3 HIS 95 3HB HIS 95 -3.806 5.200 28.663 588 HD1 HIS 95 HD1 HIS 95 -6.543 4.236 31.113 589 HD2 HIS 95 HD2 HIS 95 -3.731 7.227 30.470 590 HE1 HIS 95 HE1 HIS 95 -6.668 5.724 33.137 591 H ASP 96 H ASP 96 -7.281 4.300 26.031 592 HA ASP 96 HA ASP 96 -5.669 2.516 24.661 593 HB2 ASP 96 2HB ASP 96 -7.210 2.636 22.909 594 HB3 ASP 96 3HB ASP 96 -8.161 3.132 24.306 595 H ASP 97 H ASP 97 -5.377 5.910 24.908 596 HA ASP 97 HA ASP 97 -3.918 6.298 22.458 597 HB2 ASP 97 2HB ASP 97 -3.756 8.555 23.070 598 HB3 ASP 97 3HB ASP 97 -5.296 8.049 23.758 599 H ASP 98 H ASP 98 -3.137 4.653 25.130 600 HA ASP 98 HA ASP 98 -0.309 5.479 25.062 601 HB2 ASP 98 2HB ASP 98 -1.969 4.259 27.263 602 HB3 ASP 98 3HB ASP 98 -0.208 4.245 27.305 603 H THR 99 H THR 99 -1.276 3.829 23.056 604 HA THR 99 HA THR 99 -0.184 1.191 23.786 605 HB THR 99 HB THR 99 -1.865 1.611 21.340 606 HG1 THR 99 HG1 THR 99 -3.637 1.782 22.495 607 HG21 THR 99 1HG2 THR 99 -0.908 -0.531 21.415 608 HG22 THR 99 2HG2 THR 99 -2.542 -0.765 22.035 609 HG23 THR 99 3HG2 THR 99 -1.179 -0.687 23.150 610 H HIS 100 H HIS 100 1.179 3.710 22.818 611 HA HIS 100 HA HIS 100 2.752 2.403 20.734 612 HB2 HIS 100 2HB HIS 100 0.892 4.331 20.056 613 HB3 HIS 100 3HB HIS 100 2.389 5.250 20.179 614 HD1 HIS 100 HD1 HIS 100 4.133 2.732 19.112 615 HD2 HIS 100 HD2 HIS 100 0.877 4.533 17.264 616 HE1 HIS 100 HE1 HIS 100 4.367 2.197 16.666 617 H GLY 101 H GLY 101 4.637 4.133 20.159 618 HA2 GLY 101 2HA GLY 101 5.568 5.422 22.616 619 HA3 GLY 101 3HA GLY 101 6.556 4.126 21.959 620 H GLU 102 H GLU 102 6.175 7.395 22.047 621 HA GLU 102 HA GLU 102 8.084 7.789 19.933 622 HB2 GLU 102 2HB GLU 102 5.303 8.105 19.361 623 HB3 GLU 102 3HB GLU 102 6.060 9.692 19.334 624 HG2 GLU 102 2HG GLU 102 6.380 7.407 17.511 625 HG3 GLU 102 3HG GLU 102 6.456 9.139 17.192 626 H CYS 103 H CYS 103 8.447 10.277 19.659 627 HA CYS 103 HA CYS 103 7.971 11.736 22.139 628 HB2 CYS 103 2HB CYS 103 10.692 12.201 21.472 629 HB3 CYS 103 3HB CYS 103 10.040 11.477 22.939 630 H THR 104 H THR 104 7.563 13.823 21.768 631 HA THR 104 HA THR 104 8.805 15.347 19.714 632 HB THR 104 HB THR 104 7.247 14.071 18.293 633 HG1 THR 104 HG1 THR 104 7.554 16.674 18.377 634 HG21 THR 104 1HG2 THR 104 5.369 14.825 20.403 635 HG22 THR 104 2HG2 THR 104 5.288 13.507 19.234 636 HG23 THR 104 3HG2 THR 104 4.758 15.126 18.777 637 H LYS 105 H LYS 105 7.575 15.151 22.610 638 HA LYS 105 HA LYS 105 6.455 17.877 22.618 639 HB2 LYS 105 2HB LYS 105 5.480 17.145 24.872 640 HB3 LYS 105 3HB LYS 105 4.750 16.473 23.419 641 HG2 LYS 105 2HG LYS 105 5.632 14.371 23.786 642 HG3 LYS 105 3HG LYS 105 6.921 14.982 24.827 643 HD2 LYS 105 2HD LYS 105 5.173 15.584 26.507 644 HD3 LYS 105 3HD LYS 105 3.986 14.769 25.487 645 HE2 LYS 105 2HE LYS 105 4.963 12.670 25.835 646 HE3 LYS 105 3HE LYS 105 6.470 13.370 26.423 647 HZ1 LYS 105 1HZ LYS 105 4.596 14.301 28.161 648 HZ2 LYS 105 2HZ LYS 105 5.646 13.005 28.442 649 HZ3 LYS 105 3HZ LYS 105 4.083 12.717 27.863 650 H LYS 106 H LYS 106 6.695 18.763 25.041 651 HA LYS 106 HA LYS 106 9.454 19.280 25.379 652 HB2 LYS 106 2HB LYS 106 7.474 20.765 26.027 653 HB3 LYS 106 3HB LYS 106 7.336 19.766 27.467 654 HG2 LYS 106 2HG LYS 106 10.048 20.682 27.064 655 HG3 LYS 106 3HG LYS 106 8.905 22.024 27.155 656 HD2 LYS 106 2HD LYS 106 7.996 20.595 29.206 657 HD3 LYS 106 3HD LYS 106 9.667 20.025 29.214 658 HE2 LYS 106 2HE LYS 106 10.420 22.385 29.276 659 HE3 LYS 106 3HE LYS 106 8.735 22.888 29.390 660 HZ1 LYS 106 1HZ LYS 106 8.775 21.230 31.404 661 HZ2 LYS 106 2HZ LYS 106 9.289 22.832 31.580 662 HZ3 LYS 106 3HZ LYS 106 10.428 21.594 31.396 663 H ALA 107 H ALA 107 7.926 16.506 25.986 664 HA ALA 107 HA ALA 107 9.470 15.917 28.424 665 HB1 ALA 107 1HB ALA 107 7.595 15.034 29.212 666 HB2 ALA 107 2HB ALA 107 6.774 15.310 27.675 667 HB3 ALA 107 3HB ALA 107 7.671 13.815 27.940 668 HA PRO 108 HA PRO 108 11.948 12.891 26.431 669 HB2 PRO 108 2HB PRO 108 11.796 10.711 28.041 670 HB3 PRO 108 3HB PRO 108 12.666 12.181 28.495 671 HG2 PRO 108 2HG PRO 108 9.922 11.283 29.286 672 HG3 PRO 108 3HG PRO 108 11.192 12.013 30.286 673 HD2 PRO 108 2HD PRO 108 9.097 13.434 29.325 674 HD3 PRO 108 3HD PRO 108 10.704 14.149 29.568 675 H CYS 109 H CYS 109 12.020 10.592 25.574 676 HA CYS 109 HA CYS 109 9.627 10.110 24.068 677 HB2 CYS 109 2HB CYS 109 12.340 9.567 23.725 678 HB3 CYS 109 3HB CYS 109 11.601 7.982 23.927 679 H TRP 110 H TRP 110 8.194 8.434 24.225 680 HA TRP 110 HA TRP 110 8.555 6.554 26.458 681 HB2 TRP 110 2HB TRP 110 6.835 7.481 27.545 682 HB3 TRP 110 3HB TRP 110 6.560 8.608 26.220 683 HD1 TRP 110 HD1 TRP 110 5.160 7.257 24.038 684 HE1 TRP 110 HE1 TRP 110 2.995 5.887 24.292 685 HE3 TRP 110 HE3 TRP 110 5.450 6.200 29.031 686 HZ2 TRP 110 HZ2 TRP 110 1.596 4.538 26.339 687 HZ3 TRP 110 HZ3 TRP 110 3.657 4.865 30.060 688 HH2 TRP 110 HH2 TRP 110 1.771 4.053 28.740 689 H ARG 111 H ARG 111 7.315 4.574 26.265 690 HA ARG 111 HA ARG 111 6.193 3.975 23.647 691 HB2 ARG 111 2HB ARG 111 7.821 1.755 24.174 692 HB3 ARG 111 3HB ARG 111 8.015 2.936 22.886 693 HG2 ARG 111 2HG ARG 111 10.089 2.824 23.987 694 HG3 ARG 111 3HG ARG 111 9.336 4.325 24.530 695 HD2 ARG 111 2HD ARG 111 9.725 3.627 26.610 696 HD3 ARG 111 3HD ARG 111 8.447 2.440 26.349 697 HE ARG 111 HE ARG 111 10.046 0.822 26.391 698 HH11 ARG 111 1HH1 ARG 111 11.561 3.838 25.538 699 HH12 ARG 111 2HH1 ARG 111 13.163 3.178 25.520 700 HH21 ARG 111 1HH2 ARG 111 12.150 -0.059 26.370 701 HH22 ARG 111 2HH2 ARG 111 13.496 0.961 25.992 702 H CYS 112 H CYS 112 5.088 1.887 23.595 703 HA CYS 112 HA CYS 112 3.428 1.485 25.789 704 HB2 CYS 112 2HB CYS 112 3.199 0.721 23.302 705 HB3 CYS 112 3HB CYS 112 4.001 -0.741 23.862 706 HG CYS 112 HG CYS 112 1.207 -1.139 23.697 707 H GLU 113 H GLU 113 3.189 -0.496 27.096 708 HA GLU 113 HA GLU 113 5.579 -1.062 28.507 709 HB2 GLU 113 2HB GLU 113 2.816 -2.264 28.612 710 HB3 GLU 113 3HB GLU 113 4.120 -2.800 29.662 711 HG2 GLU 113 2HG GLU 113 3.821 0.079 29.693 712 HG3 GLU 113 3HG GLU 113 2.334 -0.750 30.152 713 H TYR 114 H TYR 114 6.756 -2.981 28.677 714 HA TYR 114 HA TYR 114 6.171 -5.268 27.058 715 HB2 TYR 114 2HB TYR 114 7.873 -5.124 25.443 716 HB3 TYR 114 3HB TYR 114 7.154 -3.518 25.453 717 HD1 TYR 114 HD1 TYR 114 8.429 -2.381 27.890 718 HD2 TYR 114 HD2 TYR 114 10.068 -4.722 24.737 719 HE1 TYR 114 HE1 TYR 114 10.640 -1.391 28.312 720 HE2 TYR 114 HE2 TYR 114 12.284 -3.739 25.152 721 HH TYR 114 HH TYR 114 13.516 -2.562 26.697 722 H ASN 115 H ASN 115 8.704 -6.363 26.854 723 HA ASN 115 HA ASN 115 9.261 -6.916 29.659 724 HB2 ASN 115 2HB ASN 115 9.098 -8.930 28.524 725 HB3 ASN 115 3HB ASN 115 9.857 -8.292 27.069 726 HD21 ASN 115 1HD2 ASN 115 10.526 -9.126 30.436 727 HD22 ASN 115 2HD2 ASN 115 12.158 -9.629 30.171 728 H ALA 116 H ALA 116 11.427 -6.968 30.493 729 HA ALA 116 HA ALA 116 12.903 -4.653 30.011 730 HB1 ALA 116 1HB ALA 116 14.715 -6.420 31.135 731 HB2 ALA 116 2HB ALA 116 13.627 -5.336 32.003 732 HB3 ALA 116 3HB ALA 116 13.145 -7.003 31.688 733 H ASP 117 H ASP 117 14.295 -4.103 28.473 734 HA ASP 117 HA ASP 117 15.727 -6.225 27.026 735 HB2 ASP 117 2HB ASP 117 13.710 -5.209 25.776 736 HB3 ASP 117 3HB ASP 117 14.709 -3.766 25.622 737 H LEU 118 H LEU 118 17.570 -5.266 25.700 738 HA LEU 118 HA LEU 118 19.157 -3.635 27.469 739 HB2 LEU 118 2HB LEU 118 19.754 -4.862 24.783 740 HB3 LEU 118 3HB LEU 118 20.929 -3.978 25.755 741 HG LEU 118 HG LEU 118 19.616 -6.605 26.440 742 HD11 LEU 118 1HD1 LEU 118 21.894 -7.470 26.325 743 HD12 LEU 118 2HD1 LEU 118 22.484 -5.874 25.862 744 HD13 LEU 118 3HD1 LEU 118 21.403 -6.761 24.787 745 HD21 LEU 118 1HD2 LEU 118 21.486 -4.876 28.052 746 HD22 LEU 118 2HD2 LEU 118 21.098 -6.554 28.430 747 HD23 LEU 118 3HD2 LEU 118 19.831 -5.326 28.463 748 H LYS 119 H LYS 119 20.608 -1.925 26.310 749 HA LYS 119 HA LYS 119 19.097 0.292 25.714 750 HB2 LYS 119 2HB LYS 119 21.891 -0.303 24.722 751 HB3 LYS 119 3HB LYS 119 21.151 1.290 24.805 752 HG2 LYS 119 2HG LYS 119 20.877 0.336 27.372 753 HG3 LYS 119 3HG LYS 119 22.459 -0.269 26.875 754 HD2 LYS 119 2HD LYS 119 21.858 2.547 26.205 755 HD3 LYS 119 3HD LYS 119 22.070 2.177 27.918 756 HE2 LYS 119 2HE LYS 119 24.052 1.148 25.937 757 HE3 LYS 119 3HE LYS 119 24.122 2.839 26.429 758 HZ1 LYS 119 1HZ LYS 119 24.155 2.002 28.773 759 HZ2 LYS 119 2HZ LYS 119 25.537 1.643 27.867 760 HZ3 LYS 119 3HZ LYS 119 24.380 0.443 28.154 761 H HIS 120 H HIS 120 17.601 0.407 24.163 762 HA HIS 120 HA HIS 120 18.404 0.288 21.409 763 HB2 HIS 120 2HB HIS 120 17.433 -2.088 22.531 764 HB3 HIS 120 3HB HIS 120 16.077 -1.421 21.628 765 HD1 HIS 120 HD1 HIS 120 17.821 -0.182 19.304 766 HD2 HIS 120 HD2 HIS 120 18.081 -4.073 20.736 767 HE1 HIS 120 HE1 HIS 120 18.813 -1.525 17.423 768 H ASP 121 H ASP 121 15.958 0.165 20.176 769 HA ASP 121 HA ASP 121 14.356 2.259 21.477 770 HB2 ASP 121 2HB ASP 121 14.032 3.158 19.067 771 HB3 ASP 121 3HB ASP 121 15.523 3.548 19.919 772 H VAL 122 H VAL 122 12.526 1.195 21.933 773 HA VAL 122 HA VAL 122 11.162 -0.173 19.712 774 HB VAL 122 HB VAL 122 10.224 -1.790 21.348 775 HG11 VAL 122 1HG1 VAL 122 13.154 -2.122 21.617 776 HG12 VAL 122 2HG1 VAL 122 11.931 -3.254 21.036 777 HG13 VAL 122 3HG1 VAL 122 12.509 -1.962 19.983 778 HG21 VAL 122 1HG2 VAL 122 11.129 -0.050 23.250 779 HG22 VAL 122 2HG2 VAL 122 10.625 -1.713 23.553 780 HG23 VAL 122 3HG2 VAL 122 12.333 -1.337 23.324 781 H CYS 123 H CYS 123 8.830 -0.249 19.907 782 HA CYS 123 HA CYS 123 7.491 1.303 21.904 783 HB2 CYS 123 2HB CYS 123 6.541 2.933 20.177 784 HB3 CYS 123 3HB CYS 123 8.193 3.214 20.714 785 HG CYS 123 HG CYS 123 9.418 2.337 18.441 786 H GLY 124 H GLY 124 5.118 1.838 20.799 787 HA2 GLY 124 2HA GLY 124 3.704 -0.481 20.784 788 HA3 GLY 124 3HA GLY 124 3.186 0.947 19.901 789 H CYS 125 H CYS 125 3.363 -2.165 19.482 790 HA CYS 125 HA CYS 125 4.945 -2.642 17.227 791 HB2 CYS 125 2HB CYS 125 2.979 -4.054 18.743 792 HB3 CYS 125 3HB CYS 125 2.588 -4.225 17.036 793 HG CYS 125 HG CYS 125 4.206 -6.363 18.238 794 H GLU 126 H GLU 126 2.389 -0.554 17.510 795 HA GLU 126 HA GLU 126 1.370 -0.927 14.809 796 HB2 GLU 126 2HB GLU 126 0.601 1.340 16.618 797 HB3 GLU 126 3HB GLU 126 -0.351 0.552 15.367 798 HG2 GLU 126 2HG GLU 126 0.037 -1.515 17.053 799 HG3 GLU 126 3HG GLU 126 0.035 -0.167 18.189 800 H CYS 127 H CYS 127 4.146 -0.147 15.199 801 HA CYS 127 HA CYS 127 4.529 2.605 14.742 802 HB2 CYS 127 2HB CYS 127 6.782 1.937 13.935 803 HB3 CYS 127 3HB CYS 127 6.363 1.205 15.480 804 HG CYS 127 HG CYS 127 6.959 -1.167 14.735 805 H SER 128 H SER 128 4.378 3.832 12.968 806 HA SER 128 HA SER 128 3.632 2.500 10.457 807 HB2 SER 128 2HB SER 128 2.164 4.312 11.656 808 HB3 SER 128 3HB SER 128 3.298 5.444 10.920 809 HG SER 128 HG SER 128 1.270 4.046 9.781 810 H LYS 129 H LYS 129 4.173 4.178 8.532 811 HA LYS 129 HA LYS 129 7.070 4.677 8.736 812 HB2 LYS 129 2HB LYS 129 6.303 2.851 7.162 813 HB3 LYS 129 3HB LYS 129 5.527 4.105 6.204 814 HG2 LYS 129 2HG LYS 129 7.575 3.730 5.152 815 HG3 LYS 129 3HG LYS 129 7.819 5.207 6.086 816 HD2 LYS 129 2HD LYS 129 9.153 4.146 7.657 817 HD3 LYS 129 3HD LYS 129 8.502 2.550 7.279 818 HE2 LYS 129 2HE LYS 129 9.636 3.363 4.899 819 HE3 LYS 129 3HE LYS 129 10.757 3.976 6.115 820 HZ1 LYS 129 1HZ LYS 129 9.895 1.282 6.615 821 HZ2 LYS 129 2HZ LYS 129 11.457 1.929 6.591 822 HZ3 LYS 129 3HZ LYS 129 10.719 1.448 5.147 823 H LEU 130 H LEU 130 5.747 6.723 9.669 824 HA LEU 130 HA LEU 130 5.536 8.642 7.442 825 HB2 LEU 130 2HB LEU 130 3.719 8.045 9.526 826 HB3 LEU 130 3HB LEU 130 4.363 9.656 9.838 827 HG LEU 130 HG LEU 130 3.705 9.707 7.145 828 HD11 LEU 130 1HD1 LEU 130 2.359 7.888 6.938 829 HD12 LEU 130 2HD1 LEU 130 1.169 9.043 7.538 830 HD13 LEU 130 3HD1 LEU 130 1.908 7.884 8.643 831 HD21 LEU 130 1HD2 LEU 130 3.351 11.306 9.206 832 HD22 LEU 130 2HD2 LEU 130 1.734 10.603 9.189 833 HD23 LEU 130 3HD2 LEU 130 2.346 11.442 7.763 834 HA PRO 131 HA PRO 131 9.091 10.601 9.195 835 HB2 PRO 131 2HB PRO 131 8.938 12.922 7.796 836 HB3 PRO 131 3HB PRO 131 9.490 11.403 7.079 837 HG2 PRO 131 2HG PRO 131 6.798 12.704 6.923 838 HG3 PRO 131 3HG PRO 131 7.736 11.916 5.641 839 HD2 PRO 131 2HD PRO 131 5.688 10.684 6.913 840 HD3 PRO 131 3HD PRO 131 7.101 9.801 6.302 841 H CYS 132 H CYS 132 9.413 11.793 10.977 842 HA CYS 132 HA CYS 132 7.479 13.890 11.665 843 HB2 CYS 132 2HB CYS 132 7.288 11.488 12.865 844 HB3 CYS 132 3HB CYS 132 8.488 12.238 13.913 845 H ASN 133 H ASN 133 8.871 13.949 14.361 846 HA ASN 133 HA ASN 133 10.614 16.049 13.901 847 HB2 ASN 133 2HB ASN 133 9.583 14.908 16.125 848 HB3 ASN 133 3HB ASN 133 11.244 14.332 16.231 849 HD21 ASN 133 1HD2 ASN 133 12.475 16.569 15.014 850 HD22 ASN 133 2HD2 ASN 133 12.356 17.897 16.113 851 H ASP 134 H ASP 134 12.815 14.858 15.641 852 HA ASP 134 HA ASP 134 14.268 13.441 13.506 853 HB2 ASP 134 2HB ASP 134 15.007 15.855 15.047 854 HB3 ASP 134 3HB ASP 134 16.282 14.658 14.845 855 H GLU 135 H GLU 135 15.291 14.299 16.779 856 HA GLU 135 HA GLU 135 14.920 11.606 17.754 857 HB2 GLU 135 2HB GLU 135 17.379 11.408 18.355 858 HB3 GLU 135 3HB GLU 135 16.971 11.179 16.660 859 HG2 GLU 135 2HG GLU 135 17.520 13.936 17.101 860 HG3 GLU 135 3HG GLU 135 18.827 12.975 17.792 861 H HIS 136 H HIS 136 14.416 11.705 19.840 862 HA HIS 136 HA HIS 136 15.423 13.972 21.427 863 HB2 HIS 136 2HB HIS 136 12.667 13.169 20.881 864 HB3 HIS 136 3HB HIS 136 13.009 13.307 22.603 865 HD1 HIS 136 HD1 HIS 136 14.694 15.574 20.149 866 HD2 HIS 136 HD2 HIS 136 11.533 15.666 22.844 867 HE1 HIS 136 HE1 HIS 136 14.047 17.997 20.345 868 HA PRO 137 HA PRO 137 16.660 11.126 24.526 869 HB2 PRO 137 2HB PRO 137 15.984 12.399 26.827 870 HB3 PRO 137 3HB PRO 137 17.320 12.924 25.796 871 HG2 PRO 137 2HG PRO 137 14.530 13.992 25.971 872 HG3 PRO 137 3HG PRO 137 16.061 14.878 25.855 873 HD2 PRO 137 2HD PRO 137 14.444 14.479 23.720 874 HD3 PRO 137 3HD PRO 137 16.211 14.571 23.575 875 H CYS 138 H CYS 138 15.769 9.245 25.068 876 HA CYS 138 HA CYS 138 12.912 9.071 25.560 877 HB2 CYS 138 2HB CYS 138 13.131 6.738 25.253 878 HB3 CYS 138 3HB CYS 138 14.231 7.459 24.085 879 HG CYS 138 HG CYS 138 15.974 6.995 26.774 880 H TYR 139 H TYR 139 12.003 8.048 27.407 881 HA TYR 139 HA TYR 139 13.743 8.119 29.785 882 HB2 TYR 139 2HB TYR 139 12.400 9.883 30.312 883 HB3 TYR 139 3HB TYR 139 11.086 9.330 29.279 884 HD1 TYR 139 HD1 TYR 139 12.828 7.809 32.219 885 HD2 TYR 139 HD2 TYR 139 9.153 9.114 30.518 886 HE1 TYR 139 HE1 TYR 139 11.626 6.987 34.201 887 HE2 TYR 139 HE2 TYR 139 7.941 8.296 32.495 888 HH TYR 139 HH TYR 139 8.697 7.878 35.076 889 H ARG 140 H ARG 140 14.110 6.055 30.302 890 HA ARG 140 HA ARG 140 11.805 4.340 30.821 891 HB2 ARG 140 2HB ARG 140 13.137 4.003 28.486 892 HB3 ARG 140 3HB ARG 140 14.081 2.959 29.539 893 HG2 ARG 140 2HG ARG 140 11.126 2.785 28.998 894 HG3 ARG 140 3HG ARG 140 12.378 1.662 28.463 895 HD2 ARG 140 2HD ARG 140 12.823 0.997 30.731 896 HD3 ARG 140 3HD ARG 140 11.727 2.232 31.350 897 HE ARG 140 HE ARG 140 10.527 0.288 29.575 898 HH11 ARG 140 1HH1 ARG 140 11.256 1.178 32.861 899 HH12 ARG 140 2HH1 ARG 140 10.014 0.181 33.544 900 HH21 ARG 140 1HH2 ARG 140 8.889 -1.028 30.462 901 HH22 ARG 140 2HH2 ARG 140 8.669 -1.074 32.179 902 H LYS 141 H LYS 141 14.272 2.288 30.821 903 HA LYS 141 HA LYS 141 14.644 2.487 33.683 904 HB2 LYS 141 2HB LYS 141 15.661 0.488 31.657 905 HB3 LYS 141 3HB LYS 141 15.928 0.366 33.391 906 HG2 LYS 141 2HG LYS 141 13.125 0.722 32.734 907 HG3 LYS 141 3HG LYS 141 13.823 -0.710 31.974 908 HD2 LYS 141 2HD LYS 141 14.374 -0.172 34.858 909 HD3 LYS 141 3HD LYS 141 12.809 -0.840 34.388 910 HE2 LYS 141 2HE LYS 141 13.778 -2.781 33.505 911 HE3 LYS 141 3HE LYS 141 15.383 -2.054 33.436 912 HZ1 LYS 141 1HZ LYS 141 15.574 -2.167 35.781 913 HZ2 LYS 141 2HZ LYS 141 15.045 -3.689 35.267 914 HZ3 LYS 141 3HZ LYS 141 13.952 -2.608 35.974 915 H GLU 142 H GLU 142 15.901 4.347 31.556 916 HA GLU 142 HA GLU 142 18.134 5.146 32.924 917 HB2 GLU 142 2HB GLU 142 18.645 2.735 31.431 918 HB3 GLU 142 3HB GLU 142 19.630 4.050 30.806 919 HG2 GLU 142 2HG GLU 142 19.490 3.391 33.730 920 HG3 GLU 142 3HG GLU 142 20.642 2.628 32.636 921 H GLY 143 H GLY 143 18.445 7.157 32.241 922 HA2 GLY 143 2HA GLY 143 17.190 8.340 30.100 923 HA3 GLY 143 3HA GLY 143 18.648 8.975 30.847 924 H GLY 144 H GLY 144 17.398 8.237 27.968 925 HA2 GLY 144 2HA GLY 144 20.052 7.852 26.801 926 HA3 GLY 144 3HA GLY 144 18.827 6.651 26.421 927 H VAL 145 H VAL 145 19.697 7.686 24.257 928 HA VAL 145 HA VAL 145 17.853 9.873 23.541 929 HB VAL 145 HB VAL 145 19.479 10.311 21.639 930 HG11 VAL 145 1HG1 VAL 145 19.625 11.043 24.428 931 HG12 VAL 145 2HG1 VAL 145 21.213 11.119 23.662 932 HG13 VAL 145 3HG1 VAL 145 19.863 12.036 22.990 933 HG21 VAL 145 1HG2 VAL 145 21.728 9.242 23.147 934 HG22 VAL 145 2HG2 VAL 145 20.659 7.985 22.525 935 HG23 VAL 145 3HG2 VAL 145 21.380 9.155 21.421 936 H VAL 146 H VAL 146 16.352 9.431 22.064 937 HA VAL 146 HA VAL 146 16.811 7.256 20.150 938 HB VAL 146 HB VAL 146 14.215 7.550 21.661 939 HG11 VAL 146 1HG1 VAL 146 14.041 5.128 20.695 940 HG12 VAL 146 2HG1 VAL 146 13.663 6.519 19.676 941 HG13 VAL 146 3HG1 VAL 146 15.229 5.719 19.533 942 HG21 VAL 146 1HG2 VAL 146 16.370 5.478 22.059 943 HG22 VAL 146 2HG2 VAL 146 16.046 6.824 23.151 944 HG23 VAL 146 3HG2 VAL 146 14.829 5.571 22.911 945 H SER 147 H SER 147 15.258 7.291 18.340 946 HA SER 147 HA SER 147 15.161 9.690 17.026 947 HB2 SER 147 2HB SER 147 12.907 8.359 16.074 948 HB3 SER 147 3HB SER 147 14.552 8.196 15.461 949 HG SER 147 HG SER 147 13.155 6.548 17.267 950 H CYS 148 H CYS 148 13.536 11.230 16.592 951 HA CYS 148 HA CYS 148 11.514 11.450 18.723 952 HB2 CYS 148 2HB CYS 148 13.323 13.196 18.691 953 HB3 CYS 148 3HB CYS 148 12.717 13.713 17.122 954 HG CYS 148 HG CYS 148 11.893 15.480 19.188 955 H ASP 149 H ASP 149 9.595 10.845 17.962 956 HA ASP 149 HA ASP 149 8.555 12.155 15.583 957 HB2 ASP 149 2HB ASP 149 8.036 9.231 15.690 958 HB3 ASP 149 3HB ASP 149 8.194 10.298 14.297 959 H CYS 150 H CYS 150 6.175 11.042 15.262 960 HA CYS 150 HA CYS 150 4.922 11.130 17.929 961 HB2 CYS 150 2HB CYS 150 2.902 12.018 16.478 962 HB3 CYS 150 3HB CYS 150 4.160 13.114 17.041 963 H LYS 151 H LYS 151 3.830 9.368 18.468 964 HA LYS 151 HA LYS 151 3.253 7.367 16.427 965 HB2 LYS 151 2HB LYS 151 3.437 7.356 19.412 966 HB3 LYS 151 3HB LYS 151 2.507 6.096 18.612 967 HG2 LYS 151 2HG LYS 151 5.421 6.551 18.681 968 HG3 LYS 151 3HG LYS 151 4.502 5.043 18.660 969 HD2 LYS 151 2HD LYS 151 4.073 5.297 16.292 970 HD3 LYS 151 3HD LYS 151 4.871 6.872 16.287 971 HE2 LYS 151 2HE LYS 151 6.888 5.943 16.091 972 HE3 LYS 151 3HE LYS 151 6.569 4.807 17.401 973 HZ1 LYS 151 1HZ LYS 151 6.953 3.999 14.947 974 HZ2 LYS 151 2HZ LYS 151 5.295 4.309 14.815 975 HZ3 LYS 151 3HZ LYS 151 5.861 3.209 15.969 976 H THR 152 H THR 152 1.295 7.431 19.262 977 HA THR 152 HA THR 152 -1.113 7.419 17.748 978 HB THR 152 HB THR 152 -2.063 7.833 20.208 979 HG1 THR 152 HG1 THR 152 0.454 6.630 20.744 980 HG21 THR 152 1HG2 THR 152 -2.591 5.817 19.160 981 HG22 THR 152 2HG2 THR 152 -1.672 5.304 20.575 982 HG23 THR 152 3HG2 THR 152 -0.899 5.351 18.991 983 H ILE 153 H ILE 153 0.756 9.898 19.287 984 HA ILE 153 HA ILE 153 -1.395 11.846 18.783 985 HB ILE 153 HB ILE 153 0.298 13.281 20.275 986 HG12 ILE 153 2HG1 ILE 153 1.756 11.148 20.419 987 HG13 ILE 153 3HG1 ILE 153 1.454 12.053 21.899 988 HG21 ILE 153 1HG2 ILE 153 -1.146 12.840 22.164 989 HG22 ILE 153 2HG2 ILE 153 -2.099 12.877 20.682 990 HG23 ILE 153 3HG2 ILE 153 -1.693 11.333 21.429 991 HD11 ILE 153 1HD1 ILE 153 -0.453 9.894 21.280 992 HD12 ILE 153 2HD1 ILE 153 1.186 9.404 21.709 993 HD13 ILE 153 3HD1 ILE 153 0.243 10.396 22.821 994 H THR 154 H THR 154 -1.003 12.369 16.668 995 HA THR 154 HA THR 154 1.601 13.635 16.114 996 HB THR 154 HB THR 154 1.603 12.846 13.886 997 HG1 THR 154 HG1 THR 154 -1.109 12.488 14.356 998 HG21 THR 154 1HG2 THR 154 1.369 11.002 16.059 999 HG22 THR 154 2HG2 THR 154 2.336 10.864 14.591 1000 HG23 THR 154 3HG2 THR 154 0.674 10.276 14.610 1001 H CYS 155 H CYS 155 1.301 15.761 16.024 1002 HA CYS 155 HA CYS 155 -1.243 16.838 15.078 1003 HB2 CYS 155 2HB CYS 155 -0.814 18.686 16.333 1004 HB3 CYS 155 3HB CYS 155 0.262 17.580 17.181 1005 H ASN 156 H ASN 156 -1.492 17.972 13.227 1006 HA ASN 156 HA ASN 156 0.860 18.164 11.470 1007 HB2 ASN 156 2HB ASN 156 -1.955 18.397 10.466 1008 HB3 ASN 156 3HB ASN 156 -0.518 17.816 9.629 1009 HD21 ASN 156 1HD2 ASN 156 -3.359 16.821 10.646 1010 HD22 ASN 156 2HD2 ASN 156 -3.009 15.187 11.088 1011 H GLU 157 H GLU 157 1.500 20.164 12.482 1012 HA GLU 157 HA GLU 157 0.002 22.451 11.406 1013 HB2 GLU 157 2HB GLU 157 -0.255 21.979 13.969 1014 HB3 GLU 157 3HB GLU 157 1.358 22.671 14.068 1015 HG2 GLU 157 2HG GLU 157 0.211 24.574 12.617 1016 HG3 GLU 157 3HG GLU 157 -1.228 23.961 13.430 1017 H ASP 158 H ASP 158 2.157 23.946 13.138 1018 HA ASP 158 HA ASP 158 3.983 24.311 10.946 1019 HB2 ASP 158 2HB ASP 158 3.087 26.014 12.791 1020 HB3 ASP 158 3HB ASP 158 4.543 25.483 13.628 1021 H HIS 159 H HIS 159 3.796 21.834 12.900 1022 HA HIS 159 HA HIS 159 6.305 20.805 12.501 1023 HB2 HIS 159 2HB HIS 159 7.147 21.040 14.972 1024 HB3 HIS 159 3HB HIS 159 7.464 22.325 13.809 1025 HD1 HIS 159 HD1 HIS 159 4.279 21.721 15.785 1026 HD2 HIS 159 HD2 HIS 159 7.298 24.545 15.368 1027 HE1 HIS 159 HE1 HIS 159 3.572 23.675 17.201 1028 HA PRO 160 HA PRO 160 4.429 17.251 14.257 1029 HB2 PRO 160 2HB PRO 160 6.547 15.888 15.270 1030 HB3 PRO 160 3HB PRO 160 6.244 16.042 13.535 1031 HG2 PRO 160 2HG PRO 160 8.130 17.587 15.273 1032 HG3 PRO 160 3HG PRO 160 8.394 16.921 13.650 1033 HD2 PRO 160 2HD PRO 160 7.828 19.534 14.078 1034 HD3 PRO 160 3HD PRO 160 7.305 18.671 12.618 1035 H CYS 161 H CYS 161 3.307 16.877 16.063 1036 HA CYS 161 HA CYS 161 4.500 17.099 18.675 1037 HB2 CYS 161 2HB CYS 161 2.518 18.685 19.356 1038 HB3 CYS 161 3HB CYS 161 4.002 19.355 18.687 1039 H TYR 162 H TYR 162 2.478 16.968 20.344 1040 HA TYR 162 HA TYR 162 1.237 14.448 19.698 1041 HB2 TYR 162 2HB TYR 162 1.370 16.181 22.144 1042 HB3 TYR 162 3HB TYR 162 0.198 14.870 22.057 1043 HD1 TYR 162 HD1 TYR 162 1.556 14.167 24.155 1044 HD2 TYR 162 HD2 TYR 162 3.119 14.103 20.198 1045 HE1 TYR 162 HE1 TYR 162 3.286 12.574 24.871 1046 HE2 TYR 162 HE2 TYR 162 4.853 12.508 20.903 1047 HH TYR 162 HH TYR 162 4.888 11.153 24.162 1048 H HIS 163 H HIS 163 -0.735 14.154 18.902 1049 HA HIS 163 HA HIS 163 -2.581 16.447 18.869 1050 HB2 HIS 163 2HB HIS 163 -1.633 14.961 16.747 1051 HB3 HIS 163 3HB HIS 163 -3.210 14.240 17.053 1052 HD1 HIS 163 HD1 HIS 163 -2.257 17.908 17.270 1053 HD2 HIS 163 HD2 HIS 163 -4.728 15.368 15.101 1054 HE1 HIS 163 HE1 HIS 163 -3.634 19.408 15.794 1055 H SER 164 H SER 164 -3.073 12.956 18.426 1056 HA SER 164 HA SER 164 -4.647 12.783 20.852 1057 HB2 SER 164 2HB SER 164 -6.167 13.667 18.986 1058 HB3 SER 164 3HB SER 164 -6.001 12.073 18.251 1059 HG SER 164 HG SER 164 -7.287 12.823 20.622 1060 H TYR 165 H TYR 165 -6.035 10.427 19.439 1061 HA TYR 165 HA TYR 165 -3.825 8.535 19.858 1062 HB2 TYR 165 2HB TYR 165 -5.695 6.854 20.154 1063 HB3 TYR 165 3HB TYR 165 -5.592 8.101 21.392 1064 HD1 TYR 165 HD1 TYR 165 -7.554 6.788 18.599 1065 HD2 TYR 165 HD2 TYR 165 -7.292 9.840 21.553 1066 HE1 TYR 165 HE1 TYR 165 -9.908 7.375 18.193 1067 HE2 TYR 165 HE2 TYR 165 -9.646 10.434 21.156 1068 HH TYR 165 HH TYR 165 -11.314 10.223 19.334 1069 H GLU 166 H GLU 166 -3.072 7.382 18.206 1070 HA GLU 166 HA GLU 166 -4.664 6.409 16.078 1071 HB2 GLU 166 2HB GLU 166 -3.847 9.071 15.754 1072 HB3 GLU 166 3HB GLU 166 -2.758 8.128 14.745 1073 HG2 GLU 166 2HG GLU 166 -4.320 7.882 13.203 1074 HG3 GLU 166 3HG GLU 166 -5.439 7.202 14.383 1075 H GLU 167 H GLU 167 -2.899 5.958 14.104 1076 HA GLU 167 HA GLU 167 -0.638 4.627 15.448 1077 HB2 GLU 167 2HB GLU 167 -1.053 3.200 13.121 1078 HB3 GLU 167 3HB GLU 167 -1.554 2.712 14.734 1079 HG2 GLU 167 2HG GLU 167 -3.732 3.789 14.362 1080 HG3 GLU 167 3HG GLU 167 -3.226 4.207 12.726 1081 H ASP 168 H ASP 168 1.015 5.983 15.007 1082 HA ASP 168 HA ASP 168 1.713 6.335 12.183 1083 HB2 ASP 168 2HB ASP 168 0.617 8.412 13.526 1084 HB3 ASP 168 3HB ASP 168 2.315 8.647 13.929 1085 H GLY 169 H GLY 169 3.964 8.033 12.796 1086 HA2 GLY 169 2HA GLY 169 5.935 7.859 14.264 1087 HA3 GLY 169 3HA GLY 169 5.652 6.125 14.294 1088 H VAL 170 H VAL 170 8.084 7.444 13.549 1089 HA VAL 170 HA VAL 170 8.221 6.979 10.655 1090 HB VAL 170 HB VAL 170 9.158 9.103 11.872 1091 HG11 VAL 170 1HG1 VAL 170 10.502 7.706 13.467 1092 HG12 VAL 170 2HG1 VAL 170 11.540 7.274 12.107 1093 HG13 VAL 170 3HG1 VAL 170 11.413 8.957 12.621 1094 HG21 VAL 170 1HG2 VAL 170 9.388 8.340 9.440 1095 HG22 VAL 170 2HG2 VAL 170 10.585 9.482 10.053 1096 HG23 VAL 170 3HG2 VAL 170 10.993 7.773 9.902 1097 H THR 171 H THR 171 10.197 5.887 9.839 1098 HA THR 171 HA THR 171 10.916 3.638 11.601 1099 HB THR 171 HB THR 171 10.859 3.727 8.578 1100 HG1 THR 171 HG1 THR 171 9.268 2.040 10.179 1101 HG21 THR 171 1HG2 THR 171 12.617 2.251 9.321 1102 HG22 THR 171 2HG2 THR 171 11.256 1.277 8.764 1103 HG23 THR 171 3HG2 THR 171 11.538 1.493 10.492 1104 H LYS 172 H LYS 172 12.900 3.787 12.397 1105 HA LYS 172 HA LYS 172 15.114 4.441 10.628 1106 HB2 LYS 172 2HB LYS 172 14.411 6.027 13.092 1107 HB3 LYS 172 3HB LYS 172 16.049 5.984 12.450 1108 HG2 LYS 172 2HG LYS 172 14.757 6.635 10.215 1109 HG3 LYS 172 3HG LYS 172 13.626 7.307 11.391 1110 HD2 LYS 172 2HD LYS 172 16.465 7.899 11.896 1111 HD3 LYS 172 3HD LYS 172 15.793 8.621 10.432 1112 HE2 LYS 172 2HE LYS 172 14.382 9.978 11.586 1113 HE3 LYS 172 3HE LYS 172 14.168 8.822 12.899 1114 HZ1 LYS 172 1HZ LYS 172 16.139 9.485 13.905 1115 HZ2 LYS 172 2HZ LYS 172 15.466 10.944 13.380 1116 HZ3 LYS 172 3HZ LYS 172 16.732 10.236 12.510 1117 H SER 173 H SER 173 17.239 4.337 12.075 1118 HA SER 173 HA SER 173 18.672 2.888 13.098 1119 HB2 SER 173 2HB SER 173 17.314 3.932 15.031 1120 HB3 SER 173 3HB SER 173 16.493 2.373 15.113 1121 HG SER 173 HG SER 173 18.452 1.392 15.554 1122 H ASP 174 H ASP 174 17.201 1.739 11.014 1123 HA ASP 174 HA ASP 174 16.053 -0.755 11.749 1124 HB2 ASP 174 2HB ASP 174 16.395 -1.280 9.277 1125 HB3 ASP 174 3HB ASP 174 15.397 0.123 9.650 1126 H CYS 175 H CYS 175 19.295 0.323 11.113 1127 HA CYS 175 HA CYS 175 20.592 -2.019 10.450 1128 HB2 CYS 175 2HB CYS 175 21.348 0.561 11.239 1129 HB3 CYS 175 3HB CYS 175 22.146 -0.517 12.377 1130 HG CYS 175 HG CYS 175 23.796 0.255 10.138 1131 H ASP 176 H ASP 176 22.079 -3.306 11.881 1132 HA ASP 176 HA ASP 176 20.774 -3.892 14.458 1133 HB2 ASP 176 2HB ASP 176 22.160 -5.985 12.797 1134 HB3 ASP 176 3HB ASP 176 21.017 -6.211 14.118 1135 H CYS 177 H CYS 177 22.682 -2.107 14.652 1136 HA CYS 177 HA CYS 177 24.787 -3.514 16.049 1137 HB2 CYS 177 2HB CYS 177 25.272 -2.757 13.422 1138 HB3 CYS 177 3HB CYS 177 25.987 -1.457 14.368 1139 HG CYS 177 HG CYS 177 27.745 -3.692 13.529 1140 H GLU 178 H GLU 178 26.379 -1.785 16.990 1141 HA GLU 178 HA GLU 178 24.998 -0.196 18.770 1142 HB2 GLU 178 2HB GLU 178 27.789 0.346 17.746 1143 HB3 GLU 178 3HB GLU 178 27.113 0.876 19.280 1144 HG2 GLU 178 2HG GLU 178 27.913 -1.879 18.434 1145 HG3 GLU 178 3HG GLU 178 28.451 -0.946 19.829 1146 H HIS 179 H HIS 179 23.524 1.259 18.119 1147 HA HIS 179 HA HIS 179 24.223 3.144 15.987 1148 HB2 HIS 179 2HB HIS 179 21.800 1.847 16.787 1149 HB3 HIS 179 3HB HIS 179 21.577 3.589 16.915 1150 HD1 HIS 179 HD1 HIS 179 23.346 1.468 14.289 1151 HD2 HIS 179 HD2 HIS 179 20.393 4.371 14.622 1152 HE1 HIS 179 HE1 HIS 179 22.624 1.967 11.932 1153 H SER 180 H SER 180 22.287 3.464 18.960 1154 HA SER 180 HA SER 180 22.080 5.207 20.422 1155 HB2 SER 180 2HB SER 180 24.122 5.831 21.549 1156 HB3 SER 180 3HB SER 180 24.224 4.119 21.137 1157 HG SER 180 HG SER 180 25.618 4.596 19.498 1158 HA PRO 181 HA PRO 181 22.607 8.383 17.035 1159 HB2 PRO 181 2HB PRO 181 19.974 9.022 16.871 1160 HB3 PRO 181 3HB PRO 181 20.704 7.709 15.939 1161 HG2 PRO 181 2HG PRO 181 19.129 7.578 18.481 1162 HG3 PRO 181 3HG PRO 181 19.032 6.536 17.050 1163 HD2 PRO 181 2HD PRO 181 20.359 5.807 19.295 1164 HD3 PRO 181 3HD PRO 181 20.870 5.294 17.674 1165 H GLY 182 H GLY 182 23.566 9.974 18.217 1166 HA2 GLY 182 2HA GLY 182 22.775 11.035 20.640 1167 HA3 GLY 182 3HA GLY 182 23.700 11.917 19.435 1168 HA PRO 183 HA PRO 183 19.315 13.658 20.067 1169 HB2 PRO 183 2HB PRO 183 19.973 15.865 21.505 1170 HB3 PRO 183 3HB PRO 183 19.555 14.319 22.254 1171 HG2 PRO 183 2HG PRO 183 22.255 15.505 21.738 1172 HG3 PRO 183 3HG PRO 183 21.660 14.662 23.180 1173 HD2 PRO 183 2HD PRO 183 23.211 13.450 21.321 1174 HD3 PRO 183 3HD PRO 183 21.972 12.578 22.246 1175 H SER 184 H SER 184 18.518 15.230 18.734 1176 HA SER 184 HA SER 184 20.501 16.709 17.144 1177 HB2 SER 184 2HB SER 184 19.128 15.206 15.815 1178 HB3 SER 184 3HB SER 184 17.655 15.910 16.484 1179 HG SER 184 HG SER 184 19.574 17.210 14.845 1180 H GLU 185 H GLU 185 17.803 17.042 19.277 1181 HA GLU 185 HA GLU 185 16.814 19.542 18.672 1182 HB2 GLU 185 2HB GLU 185 16.070 17.903 20.497 1183 HB3 GLU 185 3HB GLU 185 17.301 18.650 21.506 1184 HG2 GLU 185 2HG GLU 185 15.361 20.436 20.155 1185 HG3 GLU 185 3HG GLU 185 14.784 19.462 21.506 Start of MODEL 9 1 H1 MET 1 H MET 1 -2.803 -2.962 6.163 2 HA MET 1 HA MET 1 -5.111 -1.325 5.369 3 HB2 MET 1 2HB MET 1 -4.563 -2.757 3.476 4 HB3 MET 1 3HB MET 1 -4.569 -4.174 4.517 5 HG2 MET 1 2HG MET 1 -7.057 -2.996 4.905 6 HG3 MET 1 3HG MET 1 -6.754 -2.865 3.174 7 HE1 MET 1 1HE MET 1 -7.327 -6.235 1.793 8 HE2 MET 1 2HE MET 1 -7.517 -4.487 1.652 9 HE3 MET 1 3HE MET 1 -5.903 -5.197 1.727 10 H ALA 2 H ALA 2 -5.875 -1.038 7.424 11 HA ALA 2 HA ALA 2 -6.062 -3.190 9.311 12 HB1 ALA 2 1HB ALA 2 -6.023 -0.475 9.534 13 HB2 ALA 2 2HB ALA 2 -7.728 -0.835 9.812 14 HB3 ALA 2 3HB ALA 2 -6.492 -1.589 10.819 15 H HIS 3 H HIS 3 -7.560 -4.720 9.303 16 HA HIS 3 HA HIS 3 -10.332 -4.099 8.825 17 HB2 HIS 3 2HB HIS 3 -9.021 -4.658 6.563 18 HB3 HIS 3 3HB HIS 3 -9.346 -6.307 7.091 19 HD1 HIS 3 HD1 HIS 3 -11.664 -3.318 7.375 20 HD2 HIS 3 HD2 HIS 3 -11.407 -6.990 5.449 21 HE1 HIS 3 HE1 HIS 3 -13.878 -3.630 6.224 22 H GLU 4 H GLU 4 -11.505 -5.262 10.198 23 HA GLU 4 HA GLU 4 -10.361 -7.212 11.881 24 HB2 GLU 4 2HB GLU 4 -13.315 -6.856 11.392 25 HB3 GLU 4 3HB GLU 4 -12.526 -7.448 12.847 26 HG2 GLU 4 2HG GLU 4 -12.671 -4.648 11.801 27 HG3 GLU 4 3HG GLU 4 -13.181 -5.274 13.368 28 H GLU 5 H GLU 5 -9.968 -9.288 11.528 29 HA GLU 5 HA GLU 5 -11.750 -10.851 9.836 30 HB2 GLU 5 2HB GLU 5 -8.772 -10.726 9.326 31 HB3 GLU 5 3HB GLU 5 -9.919 -11.768 8.497 32 HG2 GLU 5 2HG GLU 5 -9.961 -8.760 8.426 33 HG3 GLU 5 3HG GLU 5 -9.269 -9.795 7.179 34 H ASP 6 H ASP 6 -10.996 -13.224 9.844 35 HA ASP 6 HA ASP 6 -9.607 -13.965 12.301 36 HB2 ASP 6 2HB ASP 6 -12.317 -13.802 12.380 37 HB3 ASP 6 3HB ASP 6 -12.108 -15.470 11.855 38 H GLY 7 H GLY 7 -9.007 -14.173 9.457 39 HA2 GLY 7 2HA GLY 7 -7.595 -16.282 9.013 40 HA3 GLY 7 3HA GLY 7 -9.158 -17.084 9.039 41 H VAL 8 H VAL 8 -7.506 -14.356 7.455 42 HA VAL 8 HA VAL 8 -8.435 -15.316 4.874 43 HB VAL 8 HB VAL 8 -10.227 -13.779 5.709 44 HG11 VAL 8 1HG1 VAL 8 -8.214 -11.580 5.305 45 HG12 VAL 8 2HG1 VAL 8 -9.849 -11.458 5.959 46 HG13 VAL 8 3HG1 VAL 8 -8.583 -12.261 6.889 47 HG21 VAL 8 1HG2 VAL 8 -9.333 -14.121 3.228 48 HG22 VAL 8 2HG2 VAL 8 -10.652 -13.014 3.608 49 HG23 VAL 8 3HG2 VAL 8 -9.017 -12.393 3.384 50 H CYS 9 H CYS 9 -7.321 -14.364 3.087 51 HA CYS 9 HA CYS 9 -4.704 -13.291 3.858 52 HB2 CYS 9 2HB CYS 9 -5.529 -14.392 1.168 53 HB3 CYS 9 3HB CYS 9 -3.894 -14.075 1.734 54 HG CYS 9 HG CYS 9 -3.776 -16.689 1.961 55 H ASN 10 H ASN 10 -3.993 -11.331 3.212 56 HA ASN 10 HA ASN 10 -5.937 -9.515 2.080 57 HB2 ASN 10 2HB ASN 10 -3.078 -8.832 2.735 58 HB3 ASN 10 3HB ASN 10 -4.484 -7.771 2.729 59 HD21 ASN 10 1HD2 ASN 10 -2.704 -10.165 4.482 60 HD22 ASN 10 2HD2 ASN 10 -3.532 -9.979 5.986 61 H SER 11 H SER 11 -2.730 -10.758 1.203 62 HA SER 11 HA SER 11 -3.056 -9.611 -1.479 63 HB2 SER 11 2HB SER 11 -0.890 -9.533 0.176 64 HB3 SER 11 3HB SER 11 -0.506 -10.939 -0.817 65 HG SER 11 HG SER 11 -0.745 -8.255 -1.535 66 H ASN 12 H ASN 12 -4.597 -11.874 -0.765 67 HA ASN 12 HA ASN 12 -5.098 -14.015 -1.386 68 HB2 ASN 12 2HB ASN 12 -5.213 -12.685 -3.536 69 HB3 ASN 12 3HB ASN 12 -3.603 -13.293 -3.910 70 HD21 ASN 12 1HD2 ASN 12 -6.503 -14.788 -2.517 71 HD22 ASN 12 2HD2 ASN 12 -6.601 -16.072 -3.669 72 H ALA 13 H ALA 13 -2.627 -13.730 0.077 73 HA ALA 13 HA ALA 13 -1.558 -16.329 -0.345 74 HB1 ALA 13 1HB ALA 13 0.208 -15.970 -1.642 75 HB2 ALA 13 2HB ALA 13 -0.395 -14.338 -1.929 76 HB3 ALA 13 3HB ALA 13 0.750 -14.637 -0.622 77 HA PRO 14 HA PRO 14 -0.265 -15.872 3.822 78 HB2 PRO 14 2HB PRO 14 2.087 -17.227 3.910 79 HB3 PRO 14 3HB PRO 14 0.521 -18.030 3.741 80 HG2 PRO 14 2HG PRO 14 2.540 -17.355 1.636 81 HG3 PRO 14 3HG PRO 14 1.600 -18.843 1.848 82 HD2 PRO 14 2HD PRO 14 0.924 -16.938 0.047 83 HD3 PRO 14 3HD PRO 14 -0.284 -17.941 0.874 84 H CYS 15 H CYS 15 0.348 -13.571 2.332 85 HA CYS 15 HA CYS 15 2.931 -12.795 3.517 86 HB2 CYS 15 2HB CYS 15 1.756 -11.628 0.990 87 HB3 CYS 15 3HB CYS 15 3.359 -11.337 1.656 88 HG CYS 15 HG CYS 15 3.877 -14.256 1.332 89 H TYR 16 H TYR 16 0.940 -12.506 5.175 90 HA TYR 16 HA TYR 16 -0.456 -10.006 4.854 91 HB2 TYR 16 2HB TYR 16 -0.309 -11.351 7.505 92 HB3 TYR 16 3HB TYR 16 -1.686 -10.614 6.694 93 HD1 TYR 16 HD1 TYR 16 -0.686 -13.580 7.938 94 HD2 TYR 16 HD2 TYR 16 -2.028 -11.962 4.238 95 HE1 TYR 16 HE1 TYR 16 -1.469 -15.809 7.254 96 HE2 TYR 16 HE2 TYR 16 -2.816 -14.187 3.545 97 HH TYR 16 HH TYR 16 -1.877 -16.917 4.717 98 H HIS 17 H HIS 17 -0.114 -8.105 5.973 99 HA HIS 17 HA HIS 17 2.436 -7.916 7.439 100 HB2 HIS 17 2HB HIS 17 1.692 -6.602 5.051 101 HB3 HIS 17 3HB HIS 17 1.655 -5.383 6.322 102 HD1 HIS 17 HD1 HIS 17 3.943 -5.116 7.708 103 HD2 HIS 17 HD2 HIS 17 4.187 -7.251 4.152 104 HE1 HIS 17 HE1 HIS 17 6.391 -5.189 7.134 105 H CYS 18 H CYS 18 2.416 -5.605 8.612 106 HA CYS 18 HA CYS 18 -0.139 -4.878 9.717 107 HB2 CYS 18 2HB CYS 18 1.313 -6.937 10.991 108 HB3 CYS 18 3HB CYS 18 1.514 -5.501 11.987 109 HG CYS 18 HG CYS 18 -0.966 -5.281 12.837 110 H ASP 19 H ASP 19 0.898 -3.739 12.118 111 HA ASP 19 HA ASP 19 1.886 -1.285 11.091 112 HB2 ASP 19 2HB ASP 19 1.685 -2.300 13.934 113 HB3 ASP 19 3HB ASP 19 2.092 -0.644 13.493 114 H ALA 20 H ALA 20 3.459 -2.792 13.847 115 HA ALA 20 HA ALA 20 5.946 -1.880 13.631 116 HB1 ALA 20 1HB ALA 20 6.546 -4.481 14.208 117 HB2 ALA 20 2HB ALA 20 5.975 -3.285 15.372 118 HB3 ALA 20 3HB ALA 20 4.832 -4.396 14.616 119 H ASN 21 H ASN 21 4.833 -4.749 11.834 120 HA ASN 21 HA ASN 21 7.242 -5.127 10.409 121 HB2 ASN 21 2HB ASN 21 4.822 -6.005 9.012 122 HB3 ASN 21 3HB ASN 21 6.202 -6.945 9.572 123 HD21 ASN 21 1HD2 ASN 21 3.585 -5.057 11.058 124 HD22 ASN 21 2HD2 ASN 21 3.135 -6.269 12.204 125 H GLY 22 H GLY 22 4.221 -3.456 9.582 126 HA2 GLY 22 2HA GLY 22 4.652 -2.810 6.955 127 HA3 GLY 22 3HA GLY 22 3.837 -1.745 8.091 128 H GLU 23 H GLU 23 6.024 -1.192 9.787 129 HA GLU 23 HA GLU 23 7.321 0.835 8.222 130 HB2 GLU 23 2HB GLU 23 7.022 0.178 11.060 131 HB3 GLU 23 3HB GLU 23 8.607 0.822 10.657 132 HG2 GLU 23 2HG GLU 23 6.014 2.155 9.921 133 HG3 GLU 23 3HG GLU 23 6.942 2.525 11.373 134 H ASN 24 H ASN 24 8.197 -2.277 9.569 135 HA ASN 24 HA ASN 24 11.006 -1.989 9.075 136 HB2 ASN 24 2HB ASN 24 9.238 -3.972 10.264 137 HB3 ASN 24 3HB ASN 24 10.477 -4.716 9.257 138 HD21 ASN 24 1HD2 ASN 24 11.614 -5.600 10.932 139 HD22 ASN 24 2HD2 ASN 24 12.503 -4.657 12.074 140 H CYS 25 H CYS 25 8.252 -3.188 7.306 141 HA CYS 25 HA CYS 25 10.018 -3.701 5.010 142 HB2 CYS 25 2HB CYS 25 8.156 -5.530 6.323 143 HB3 CYS 25 3HB CYS 25 7.854 -5.374 4.597 144 HG CYS 25 HG CYS 25 9.648 -7.067 3.923 145 H SER 26 H SER 26 8.779 -1.270 5.471 146 HA SER 26 HA SER 26 6.822 -0.026 4.837 147 HB2 SER 26 2HB SER 26 7.412 0.756 2.531 148 HB3 SER 26 3HB SER 26 8.773 0.767 3.651 149 HG SER 26 HG SER 26 8.362 -1.543 2.146 150 H CYS 27 H CYS 27 4.915 -1.157 4.925 151 HA CYS 27 HA CYS 27 3.918 -2.130 2.373 152 HB2 CYS 27 2HB CYS 27 4.921 -4.046 3.857 153 HB3 CYS 27 3HB CYS 27 3.425 -3.866 4.765 154 HG CYS 27 HG CYS 27 2.220 -5.577 3.285 155 H ASN 28 H ASN 28 1.556 -2.468 2.407 156 HA ASN 28 HA ASN 28 0.274 -0.720 4.404 157 HB2 ASN 28 2HB ASN 28 -0.937 -1.204 1.709 158 HB3 ASN 28 3HB ASN 28 -1.103 0.189 2.772 159 HD21 ASN 28 1HD2 ASN 28 -0.317 -0.130 -0.095 160 HD22 ASN 28 2HD2 ASN 28 1.175 0.730 -0.237 161 H CYS 29 H CYS 29 0.509 -3.242 5.208 162 HA CYS 29 HA CYS 29 -2.212 -4.308 4.895 163 HB2 CYS 29 2HB CYS 29 0.295 -5.613 4.226 164 HB3 CYS 29 3HB CYS 29 -0.607 -6.528 5.429 165 HG CYS 29 HG CYS 29 -2.991 -6.190 3.639 166 H GLU 30 H GLU 30 -3.111 -5.269 6.724 167 HA GLU 30 HA GLU 30 -1.533 -5.297 9.180 168 HB2 GLU 30 2HB GLU 30 -2.518 -3.067 9.142 169 HB3 GLU 30 3HB GLU 30 -4.113 -3.753 8.868 170 HG2 GLU 30 2HG GLU 30 -3.999 -4.852 11.060 171 HG3 GLU 30 3HG GLU 30 -2.425 -4.109 11.334 172 H LEU 31 H LEU 31 -1.714 -7.481 9.409 173 HA LEU 31 HA LEU 31 -4.365 -8.479 10.118 174 HB2 LEU 31 2HB LEU 31 -3.429 -8.996 7.645 175 HB3 LEU 31 3HB LEU 31 -2.721 -10.345 8.531 176 HG LEU 31 HG LEU 31 -5.219 -10.613 9.382 177 HD11 LEU 31 1HD1 LEU 31 -5.468 -8.590 7.430 178 HD12 LEU 31 2HD1 LEU 31 -6.749 -9.428 8.304 179 HD13 LEU 31 3HD1 LEU 31 -6.180 -10.057 6.758 180 HD21 LEU 31 1HD2 LEU 31 -5.461 -12.370 7.852 181 HD22 LEU 31 2HD2 LEU 31 -3.717 -12.179 8.035 182 HD23 LEU 31 3HD2 LEU 31 -4.530 -11.534 6.609 183 H PHE 32 H PHE 32 -4.075 -10.873 10.924 184 HA PHE 32 HA PHE 32 -2.461 -10.780 13.213 185 HB2 PHE 32 2HB PHE 32 -3.006 -13.214 13.424 186 HB3 PHE 32 3HB PHE 32 -4.415 -12.188 13.174 187 HD1 PHE 32 HD1 PHE 32 -2.103 -14.538 11.510 188 HD2 PHE 32 HD2 PHE 32 -5.826 -12.485 11.315 189 HE1 PHE 32 HE1 PHE 32 -2.760 -15.920 9.583 190 HE2 PHE 32 HE2 PHE 32 -6.490 -13.864 9.389 191 HZ PHE 32 HZ PHE 32 -4.957 -15.585 8.521 192 H ASP 33 H ASP 33 -1.197 -13.211 13.436 193 HA ASP 33 HA ASP 33 1.354 -12.834 12.723 194 HB2 ASP 33 2HB ASP 33 1.742 -15.195 12.900 195 HB3 ASP 33 3HB ASP 33 0.453 -14.783 14.027 196 H CYS 34 H CYS 34 2.385 -14.756 11.079 197 HA CYS 34 HA CYS 34 1.175 -14.823 8.507 198 HB2 CYS 34 2HB CYS 34 2.228 -13.156 7.357 199 HB3 CYS 34 3HB CYS 34 2.204 -12.391 8.943 200 H GLU 35 H GLU 35 3.100 -15.341 6.818 201 HA GLU 35 HA GLU 35 4.722 -17.423 8.128 202 HB2 GLU 35 2HB GLU 35 3.076 -18.402 6.657 203 HB3 GLU 35 3HB GLU 35 3.550 -17.331 5.346 204 HG2 GLU 35 2HG GLU 35 4.389 -19.666 5.148 205 HG3 GLU 35 3HG GLU 35 5.639 -18.425 5.093 206 H ALA 36 H ALA 36 6.875 -17.394 7.883 207 HA ALA 36 HA ALA 36 8.227 -15.136 6.978 208 HB1 ALA 36 1HB ALA 36 9.515 -16.349 8.417 209 HB2 ALA 36 2HB ALA 36 9.036 -17.897 7.719 210 HB3 ALA 36 3HB ALA 36 10.211 -16.879 6.886 211 H LYS 37 H LYS 37 9.795 -14.969 5.211 212 HA LYS 37 HA LYS 37 8.633 -15.948 2.734 213 HB2 LYS 37 2HB LYS 37 10.344 -13.712 3.541 214 HB3 LYS 37 3HB LYS 37 10.845 -14.462 2.032 215 HG2 LYS 37 2HG LYS 37 9.289 -12.550 1.753 216 HG3 LYS 37 3HG LYS 37 8.712 -14.057 1.039 217 HD2 LYS 37 2HD LYS 37 7.106 -14.370 2.695 218 HD3 LYS 37 3HD LYS 37 7.920 -13.284 3.824 219 HE2 LYS 37 2HE LYS 37 5.875 -12.287 2.906 220 HE3 LYS 37 3HE LYS 37 7.313 -11.371 2.456 221 HZ1 LYS 37 1HZ LYS 37 6.252 -13.435 0.643 222 HZ2 LYS 37 2HZ LYS 37 7.182 -12.071 0.278 223 HZ3 LYS 37 3HZ LYS 37 5.547 -11.898 0.675 224 H LYS 38 H LYS 38 10.579 -16.250 0.987 225 HA LYS 38 HA LYS 38 12.094 -18.540 2.022 226 HB2 LYS 38 2HB LYS 38 12.414 -18.795 -0.613 227 HB3 LYS 38 3HB LYS 38 10.993 -19.408 0.223 228 HG2 LYS 38 2HG LYS 38 10.938 -16.625 -0.824 229 HG3 LYS 38 3HG LYS 38 10.777 -17.968 -1.958 230 HD2 LYS 38 2HD LYS 38 8.706 -18.479 -1.243 231 HD3 LYS 38 3HD LYS 38 9.118 -18.201 0.451 232 HE2 LYS 38 2HE LYS 38 9.103 -15.710 -0.164 233 HE3 LYS 38 3HE LYS 38 8.264 -16.213 -1.630 234 HZ1 LYS 38 1HZ LYS 38 6.892 -15.534 0.416 235 HZ2 LYS 38 2HZ LYS 38 7.283 -17.066 1.016 236 HZ3 LYS 38 3HZ LYS 38 6.432 -16.919 -0.439 237 HA PRO 39 HA PRO 39 16.037 -16.712 1.416 238 HB2 PRO 39 2HB PRO 39 17.464 -18.654 0.166 239 HB3 PRO 39 3HB PRO 39 16.983 -18.757 1.864 240 HG2 PRO 39 2HG PRO 39 15.721 -20.015 -0.541 241 HG3 PRO 39 3HG PRO 39 16.036 -20.721 1.055 242 HD2 PRO 39 2HD PRO 39 13.593 -19.814 0.319 243 HD3 PRO 39 3HD PRO 39 14.174 -19.740 1.995 244 H ASP 40 H ASP 40 14.296 -17.797 -1.361 245 HA ASP 40 HA ASP 40 16.103 -16.812 -3.340 246 HB2 ASP 40 2HB ASP 40 14.126 -18.539 -3.533 247 HB3 ASP 40 3HB ASP 40 13.169 -17.097 -3.860 248 H GLY 41 H GLY 41 14.927 -15.054 -1.071 249 HA2 GLY 41 2HA GLY 41 14.931 -12.632 -2.564 250 HA3 GLY 41 3HA GLY 41 13.295 -13.061 -2.087 251 H SER 42 H SER 42 13.774 -14.167 0.418 252 HA SER 42 HA SER 42 15.419 -12.741 2.137 253 HB2 SER 42 2HB SER 42 14.465 -10.739 2.449 254 HB3 SER 42 3HB SER 42 13.316 -11.116 1.165 255 HG SER 42 HG SER 42 11.842 -11.689 2.622 256 H TYR 43 H TYR 43 15.549 -14.601 3.295 257 HA TYR 43 HA TYR 43 13.318 -16.178 4.048 258 HB2 TYR 43 2HB TYR 43 15.671 -17.009 3.882 259 HB3 TYR 43 3HB TYR 43 16.048 -16.108 5.346 260 HD1 TYR 43 HD1 TYR 43 15.594 -17.014 7.472 261 HD2 TYR 43 HD2 TYR 43 13.952 -18.860 4.008 262 HE1 TYR 43 HE1 TYR 43 14.873 -18.926 8.841 263 HE2 TYR 43 HE2 TYR 43 13.225 -20.777 5.367 264 HH TYR 43 HH TYR 43 13.455 -20.751 8.853 265 H ALA 44 H ALA 44 11.981 -16.048 5.741 266 HA ALA 44 HA ALA 44 11.290 -15.562 7.908 267 HB1 ALA 44 1HB ALA 44 12.653 -14.570 9.442 268 HB2 ALA 44 2HB ALA 44 13.867 -15.073 8.265 269 HB3 ALA 44 3HB ALA 44 13.295 -13.405 8.284 270 H HIS 45 H HIS 45 9.608 -14.255 8.359 271 HA HIS 45 HA HIS 45 9.526 -11.562 7.233 272 HB2 HIS 45 2HB HIS 45 8.404 -13.432 5.737 273 HB3 HIS 45 3HB HIS 45 7.084 -13.248 6.888 274 HD1 HIS 45 HD1 HIS 45 5.419 -11.540 6.254 275 HD2 HIS 45 HD2 HIS 45 9.143 -10.752 4.590 276 HE1 HIS 45 HE1 HIS 45 5.095 -9.502 4.817 277 HA PRO 46 HA PRO 46 7.822 -10.741 11.223 278 HB2 PRO 46 2HB PRO 46 6.939 -8.221 10.736 279 HB3 PRO 46 3HB PRO 46 8.648 -8.614 10.959 280 HG2 PRO 46 2HG PRO 46 7.118 -8.193 8.421 281 HG3 PRO 46 3HG PRO 46 8.733 -7.611 8.863 282 HD2 PRO 46 2HD PRO 46 8.346 -9.770 7.275 283 HD3 PRO 46 3HD PRO 46 9.731 -9.631 8.377 284 H CYS 47 H CYS 47 5.839 -10.674 12.256 285 HA CYS 47 HA CYS 47 3.406 -10.277 10.735 286 HB2 CYS 47 2HB CYS 47 3.365 -12.822 12.232 287 HB3 CYS 47 3HB CYS 47 2.622 -12.408 10.690 288 H ARG 48 H ARG 48 1.481 -10.984 12.347 289 HA ARG 48 HA ARG 48 1.605 -9.155 14.484 290 HB2 ARG 48 2HB ARG 48 -0.447 -10.114 13.208 291 HB3 ARG 48 3HB ARG 48 -0.374 -11.410 14.394 292 HG2 ARG 48 2HG ARG 48 -1.526 -10.160 15.806 293 HG3 ARG 48 3HG ARG 48 -0.217 -8.977 15.814 294 HD2 ARG 48 2HD ARG 48 -1.683 -7.551 14.925 295 HD3 ARG 48 3HD ARG 48 -1.517 -8.478 13.434 296 HE ARG 48 HE ARG 48 -3.428 -9.822 14.812 297 HH11 ARG 48 1HH1 ARG 48 -3.022 -6.498 13.861 298 HH12 ARG 48 2HH1 ARG 48 -4.722 -6.190 13.735 299 HH21 ARG 48 1HH2 ARG 48 -5.669 -9.429 14.651 300 HH22 ARG 48 2HH2 ARG 48 -6.227 -7.857 14.186 301 H ARG 49 H ARG 49 0.067 -11.431 16.087 302 HA ARG 49 HA ARG 49 1.933 -11.734 18.119 303 HB2 ARG 49 2HB ARG 49 -0.716 -12.563 17.622 304 HB3 ARG 49 3HB ARG 49 0.181 -14.015 18.045 305 HG2 ARG 49 2HG ARG 49 0.819 -11.826 19.819 306 HG3 ARG 49 3HG ARG 49 -0.913 -12.164 19.790 307 HD2 ARG 49 2HD ARG 49 1.199 -14.276 20.178 308 HD3 ARG 49 3HD ARG 49 0.398 -13.441 21.508 309 HE ARG 49 HE ARG 49 -0.665 -15.566 19.933 310 HH11 ARG 49 1HH1 ARG 49 -1.521 -12.694 21.704 311 HH12 ARG 49 2HH1 ARG 49 -3.139 -13.220 22.031 312 HH21 ARG 49 1HH2 ARG 49 -2.793 -16.270 20.357 313 HH22 ARG 49 2HH2 ARG 49 -3.861 -15.255 21.265 314 H CYS 50 H CYS 50 3.838 -12.231 16.736 315 HA CYS 50 HA CYS 50 4.398 -15.057 16.865 316 HB2 CYS 50 2HB CYS 50 3.430 -14.093 14.452 317 HB3 CYS 50 3HB CYS 50 5.174 -14.084 14.225 318 HG CYS 50 HG CYS 50 5.535 -16.653 14.053 319 H ASP 51 H ASP 51 6.714 -15.106 15.340 320 HA ASP 51 HA ASP 51 8.471 -13.520 17.026 321 HB2 ASP 51 2HB ASP 51 8.643 -16.040 15.646 322 HB3 ASP 51 3HB ASP 51 9.995 -15.011 15.179 323 H ALA 52 H ALA 52 10.217 -12.255 16.164 324 HA ALA 52 HA ALA 52 9.387 -10.663 13.909 325 HB1 ALA 52 1HB ALA 52 10.298 -9.263 15.449 326 HB2 ALA 52 2HB ALA 52 11.463 -10.461 16.015 327 HB3 ALA 52 3HB ALA 52 11.750 -9.598 14.504 328 H ASN 53 H ASN 53 10.604 -10.289 12.013 329 HA ASN 53 HA ASN 53 12.836 -12.058 11.428 330 HB2 ASN 53 2HB ASN 53 10.237 -12.130 9.885 331 HB3 ASN 53 3HB ASN 53 11.745 -12.820 9.294 332 HD21 ASN 53 1HD2 ASN 53 12.788 -13.983 11.500 333 HD22 ASN 53 2HD2 ASN 53 11.752 -15.249 12.056 334 H ASN 54 H ASN 54 14.245 -10.463 10.966 335 HA ASN 54 HA ASN 54 13.435 -8.440 8.986 336 HB2 ASN 54 2HB ASN 54 15.807 -7.530 10.031 337 HB3 ASN 54 3HB ASN 54 14.206 -7.031 10.568 338 HD21 ASN 54 1HD2 ASN 54 13.323 -9.171 11.953 339 HD22 ASN 54 2HD2 ASN 54 14.333 -9.461 13.324 340 H ILE 55 H ILE 55 13.960 -9.270 7.041 341 HA ILE 55 HA ILE 55 16.777 -10.010 6.627 342 HB ILE 55 HB ILE 55 15.762 -12.110 6.514 343 HG12 ILE 55 2HG1 ILE 55 15.861 -12.756 4.162 344 HG13 ILE 55 3HG1 ILE 55 15.669 -11.077 3.670 345 HG21 ILE 55 1HG2 ILE 55 13.660 -12.371 4.987 346 HG22 ILE 55 2HG2 ILE 55 13.488 -11.783 6.640 347 HG23 ILE 55 3HG2 ILE 55 13.468 -10.645 5.293 348 HD11 ILE 55 1HD1 ILE 55 18.031 -12.405 4.935 349 HD12 ILE 55 2HD1 ILE 55 17.940 -11.489 3.430 350 HD13 ILE 55 3HD1 ILE 55 17.827 -10.654 4.979 351 H CYS 56 H CYS 56 17.713 -8.741 5.178 352 HA CYS 56 HA CYS 56 16.022 -7.429 3.155 353 HB2 CYS 56 2HB CYS 56 18.074 -6.412 4.945 354 HB3 CYS 56 3HB CYS 56 18.429 -6.028 3.265 355 HG CYS 56 HG CYS 56 15.579 -5.089 3.079 356 H LYS 57 H LYS 57 16.213 -9.105 1.641 357 HA LYS 57 HA LYS 57 17.529 -10.677 0.395 358 HB2 LYS 57 2HB LYS 57 17.986 -9.476 -1.708 359 HB3 LYS 57 3HB LYS 57 16.409 -9.068 -1.046 360 HG2 LYS 57 2HG LYS 57 18.209 -7.192 0.011 361 HG3 LYS 57 3HG LYS 57 18.599 -7.350 -1.704 362 HD2 LYS 57 2HD LYS 57 16.958 -5.784 -1.871 363 HD3 LYS 57 3HD LYS 57 15.944 -7.229 -1.904 364 HE2 LYS 57 2HE LYS 57 16.548 -6.308 0.795 365 HE3 LYS 57 3HE LYS 57 15.686 -5.109 -0.168 366 HZ1 LYS 57 1HZ LYS 57 13.823 -6.322 -0.150 367 HZ2 LYS 57 2HZ LYS 57 14.513 -7.116 1.174 368 HZ3 LYS 57 3HZ LYS 57 14.634 -7.790 -0.372 369 H CYS 58 H CYS 58 19.172 -9.990 2.557 370 HA CYS 58 HA CYS 58 21.760 -10.278 1.315 371 HB2 CYS 58 2HB CYS 58 21.340 -7.776 1.524 372 HB3 CYS 58 3HB CYS 58 21.397 -8.006 3.267 373 HG CYS 58 HG CYS 58 23.880 -7.717 1.102 374 H SER 59 H SER 59 20.223 -9.525 4.444 375 HA SER 59 HA SER 59 21.448 -11.938 5.560 376 HB2 SER 59 2HB SER 59 22.713 -10.884 7.111 377 HB3 SER 59 3HB SER 59 22.582 -9.490 6.039 378 HG SER 59 HG SER 59 20.914 -8.707 7.282 379 H CYS 60 H CYS 60 20.035 -13.084 6.706 380 HA CYS 60 HA CYS 60 17.526 -11.782 7.513 381 HB2 CYS 60 2HB CYS 60 16.676 -14.182 7.624 382 HB3 CYS 60 3HB CYS 60 17.041 -13.554 6.021 383 HG CYS 60 HG CYS 60 17.798 -16.321 6.431 384 H THR 61 H THR 61 16.770 -11.926 9.585 385 HA THR 61 HA THR 61 18.492 -13.296 11.543 386 HB THR 61 HB THR 61 18.675 -11.486 12.905 387 HG1 THR 61 HG1 THR 61 16.128 -10.720 11.908 388 HG21 THR 61 1HG2 THR 61 17.965 -9.771 10.562 389 HG22 THR 61 2HG2 THR 61 19.334 -10.877 10.446 390 HG23 THR 61 3HG2 THR 61 19.312 -9.627 11.690 391 H ALA 62 H ALA 62 17.460 -14.080 13.420 392 HA ALA 62 HA ALA 62 14.530 -14.301 13.179 393 HB1 ALA 62 1HB ALA 62 16.279 -16.360 13.005 394 HB2 ALA 62 2HB ALA 62 15.917 -16.374 14.731 395 HB3 ALA 62 3HB ALA 62 14.610 -16.515 13.555 396 H ILE 63 H ILE 63 13.655 -12.960 14.628 397 HA ILE 63 HA ILE 63 14.445 -13.249 17.426 398 HB ILE 63 HB ILE 63 13.968 -10.574 17.369 399 HG12 ILE 63 2HG1 ILE 63 15.422 -11.300 14.821 400 HG13 ILE 63 3HG1 ILE 63 13.920 -10.394 14.969 401 HG21 ILE 63 1HG2 ILE 63 16.776 -11.354 16.891 402 HG22 ILE 63 2HG2 ILE 63 16.065 -10.416 18.204 403 HG23 ILE 63 3HG2 ILE 63 15.943 -12.175 18.210 404 HD11 ILE 63 1HD1 ILE 63 15.737 -8.954 16.482 405 HD12 ILE 63 2HD1 ILE 63 16.650 -9.473 15.064 406 HD13 ILE 63 3HD1 ILE 63 15.154 -8.560 14.865 407 HA PRO 64 HA PRO 64 10.181 -12.869 18.398 408 HB2 PRO 64 2HB PRO 64 10.099 -11.131 20.483 409 HB3 PRO 64 3HB PRO 64 10.737 -12.774 20.626 410 HG2 PRO 64 2HG PRO 64 12.213 -10.192 20.282 411 HG3 PRO 64 3HG PRO 64 12.582 -11.558 21.351 412 HD2 PRO 64 2HD PRO 64 13.860 -11.164 18.996 413 HD3 PRO 64 3HD PRO 64 13.554 -12.783 19.657 414 H CYS 65 H CYS 65 8.477 -11.845 17.542 415 HA CYS 65 HA CYS 65 8.596 -9.670 15.902 416 HB2 CYS 65 2HB CYS 65 6.646 -11.086 15.930 417 HB3 CYS 65 3HB CYS 65 6.271 -10.618 17.583 418 HG CYS 65 HG CYS 65 5.020 -8.392 17.063 419 H ASN 66 H ASN 66 8.640 -7.508 16.091 420 HA ASN 66 HA ASN 66 9.425 -6.250 18.429 421 HB2 ASN 66 2HB ASN 66 8.324 -5.306 15.822 422 HB3 ASN 66 3HB ASN 66 8.415 -4.150 17.148 423 HD21 ASN 66 1HD2 ASN 66 10.708 -6.706 17.050 424 HD22 ASN 66 2HD2 ASN 66 12.059 -5.767 16.523 425 H GLU 67 H GLU 67 6.508 -7.637 17.929 426 HA GLU 67 HA GLU 67 5.205 -5.859 19.880 427 HB2 GLU 67 2HB GLU 67 3.490 -7.350 17.966 428 HB3 GLU 67 3HB GLU 67 3.235 -5.782 18.719 429 HG2 GLU 67 2HG GLU 67 5.383 -6.100 16.678 430 HG3 GLU 67 3HG GLU 67 3.702 -5.959 16.167 431 H ASP 68 H ASP 68 6.347 -8.902 19.193 432 HA ASP 68 HA ASP 68 4.361 -10.418 20.639 433 HB2 ASP 68 2HB ASP 68 5.403 -11.657 18.938 434 HB3 ASP 68 3HB ASP 68 7.009 -11.083 19.379 435 H HIS 69 H HIS 69 4.436 -9.170 22.618 436 HA HIS 69 HA HIS 69 6.751 -9.865 24.306 437 HB2 HIS 69 2HB HIS 69 4.963 -7.580 25.013 438 HB3 HIS 69 3HB HIS 69 6.675 -7.811 25.357 439 HD1 HIS 69 HD1 HIS 69 7.484 -8.336 22.326 440 HD2 HIS 69 HD2 HIS 69 5.262 -5.133 23.763 441 HE1 HIS 69 HE1 HIS 69 7.769 -6.504 20.627 442 HA PRO 70 HA PRO 70 4.147 -11.392 27.555 443 HB2 PRO 70 2HB PRO 70 3.919 -9.580 29.564 444 HB3 PRO 70 3HB PRO 70 5.412 -10.468 29.236 445 HG2 PRO 70 2HG PRO 70 4.655 -7.680 28.451 446 HG3 PRO 70 3HG PRO 70 6.197 -8.284 29.083 447 HD2 PRO 70 2HD PRO 70 5.791 -7.804 26.450 448 HD3 PRO 70 3HD PRO 70 6.867 -9.091 27.031 449 H CYS 71 H CYS 71 2.851 -9.563 25.470 450 HA CYS 71 HA CYS 71 0.223 -9.520 26.748 451 HB2 CYS 71 2HB CYS 71 1.671 -7.162 25.635 452 HB3 CYS 71 3HB CYS 71 -0.066 -7.265 25.373 453 HG CYS 71 HG CYS 71 -0.092 -7.851 28.399 454 H HIS 72 H HIS 72 -1.515 -9.047 25.050 455 HA HIS 72 HA HIS 72 -1.459 -11.004 23.087 456 HB2 HIS 72 2HB HIS 72 -3.167 -8.607 23.586 457 HB3 HIS 72 3HB HIS 72 -3.334 -9.446 22.047 458 HD1 HIS 72 HD1 HIS 72 -2.605 -11.436 25.113 459 HD2 HIS 72 HD2 HIS 72 -5.882 -10.381 22.786 460 HE1 HIS 72 HE1 HIS 72 -4.477 -12.936 25.868 461 H HIS 73 H HIS 73 -1.661 -10.677 20.708 462 HA HIS 73 HA HIS 73 0.573 -9.875 19.475 463 HB2 HIS 73 2HB HIS 73 -1.339 -9.042 17.637 464 HB3 HIS 73 3HB HIS 73 -0.682 -10.668 17.793 465 HD1 HIS 73 HD1 HIS 73 -3.461 -8.684 19.494 466 HD2 HIS 73 HD2 HIS 73 -2.656 -12.485 18.022 467 HE1 HIS 73 HE1 HIS 73 -5.570 -10.006 19.854 468 H CYS 74 H CYS 74 1.083 -7.999 18.076 469 HA CYS 74 HA CYS 74 1.640 -5.717 19.223 470 HB2 CYS 74 2HB CYS 74 1.634 -4.600 17.152 471 HB3 CYS 74 3HB CYS 74 1.826 -6.298 16.730 472 HG CYS 74 HG CYS 74 -1.207 -6.290 16.496 473 H HIS 75 H HIS 75 0.720 -3.633 19.573 474 HA HIS 75 HA HIS 75 -1.316 -3.220 21.105 475 HB2 HIS 75 2HB HIS 75 -0.045 -1.390 19.971 476 HB3 HIS 75 3HB HIS 75 -1.113 -1.566 18.581 477 HD1 HIS 75 HD1 HIS 75 -1.647 -1.070 22.327 478 HD2 HIS 75 HD2 HIS 75 -3.052 0.298 18.664 479 HE1 HIS 75 HE1 HIS 75 -3.399 0.647 22.878 480 H GLU 76 H GLU 76 -2.907 -4.805 21.032 481 HA GLU 76 HA GLU 76 -5.224 -4.174 19.534 482 HB2 GLU 76 2HB GLU 76 -3.514 -5.554 17.984 483 HB3 GLU 76 3HB GLU 76 -4.326 -6.897 18.776 484 HG2 GLU 76 2HG GLU 76 -5.550 -6.567 16.834 485 HG3 GLU 76 3HG GLU 76 -6.502 -5.756 18.076 486 H GLU 77 H GLU 77 -6.194 -4.240 21.550 487 HA GLU 77 HA GLU 77 -7.233 -5.136 23.368 488 HB2 GLU 77 2HB GLU 77 -8.468 -6.335 21.627 489 HB3 GLU 77 3HB GLU 77 -7.244 -7.596 21.611 490 HG2 GLU 77 2HG GLU 77 -7.850 -8.355 23.756 491 HG3 GLU 77 3HG GLU 77 -8.821 -6.919 24.072 492 H ASP 78 H ASP 78 -5.760 -5.111 24.989 493 HA ASP 78 HA ASP 78 -3.462 -6.636 25.234 494 HB2 ASP 78 2HB ASP 78 -5.223 -5.183 27.140 495 HB3 ASP 78 3HB ASP 78 -4.067 -6.323 27.822 496 H ASP 79 H ASP 79 -6.617 -7.291 26.766 497 HA ASP 79 HA ASP 79 -6.484 -10.078 26.262 498 HB2 ASP 79 2HB ASP 79 -6.382 -10.713 28.748 499 HB3 ASP 79 3HB ASP 79 -4.866 -10.285 27.959 500 H GLY 80 H GLY 80 -8.119 -11.180 28.033 501 HA2 GLY 80 2HA GLY 80 -10.436 -9.361 28.230 502 HA3 GLY 80 3HA GLY 80 -10.602 -10.975 27.554 503 H ASP 81 H ASP 81 -8.847 -9.790 30.412 504 HA ASP 81 HA ASP 81 -10.432 -11.678 32.030 505 HB2 ASP 81 2HB ASP 81 -7.572 -11.321 31.773 506 HB3 ASP 81 3HB ASP 81 -8.083 -11.086 33.442 507 H THR 82 H THR 82 -11.075 -11.037 34.105 508 HA THR 82 HA THR 82 -11.970 -8.435 34.403 509 HB THR 82 HB THR 82 -11.337 -10.279 36.709 510 HG1 THR 82 HG1 THR 82 -12.925 -10.758 34.651 511 HG21 THR 82 1HG2 THR 82 -12.038 -7.870 37.130 512 HG22 THR 82 2HG2 THR 82 -13.021 -9.119 37.895 513 HG23 THR 82 3HG2 THR 82 -13.598 -8.312 36.437 514 H HIS 83 H HIS 83 -9.567 -9.801 36.637 515 HA HIS 83 HA HIS 83 -8.585 -7.425 37.611 516 HB2 HIS 83 2HB HIS 83 -7.047 -9.994 37.176 517 HB3 HIS 83 3HB HIS 83 -6.548 -8.678 38.235 518 HD1 HIS 83 HD1 HIS 83 -9.910 -8.611 38.917 519 HD2 HIS 83 HD2 HIS 83 -6.976 -11.435 39.738 520 HE1 HIS 83 HE1 HIS 83 -10.798 -9.962 40.844 521 H CYS 84 H CYS 84 -7.442 -9.245 34.790 522 HA CYS 84 HA CYS 84 -5.233 -7.706 34.130 523 HB2 CYS 84 2HB CYS 84 -7.173 -9.220 32.382 524 HB3 CYS 84 3HB CYS 84 -5.717 -8.460 31.751 525 HG CYS 84 HG CYS 84 -5.303 -11.228 32.029 526 H HIS 85 H HIS 85 -8.602 -7.298 33.062 527 HA HIS 85 HA HIS 85 -8.109 -4.974 31.522 528 HB2 HIS 85 2HB HIS 85 -10.246 -5.260 30.916 529 HB3 HIS 85 3HB HIS 85 -10.282 -6.664 31.978 530 HD1 HIS 85 HD1 HIS 85 -10.979 -6.026 34.568 531 HD2 HIS 85 HD2 HIS 85 -12.062 -3.362 31.569 532 HE1 HIS 85 HE1 HIS 85 -12.805 -4.607 35.556 533 H CYS 86 H CYS 86 -8.718 -5.519 34.901 534 HA CYS 86 HA CYS 86 -9.396 -2.802 35.515 535 HB2 CYS 86 2HB CYS 86 -9.125 -5.326 36.966 536 HB3 CYS 86 3HB CYS 86 -8.545 -3.942 37.885 537 HG CYS 86 HG CYS 86 -11.325 -2.919 36.687 538 H SER 87 H SER 87 -6.468 -4.673 35.315 539 HA SER 87 HA SER 87 -4.852 -2.755 36.727 540 HB2 SER 87 2HB SER 87 -4.022 -5.080 34.974 541 HB3 SER 87 3HB SER 87 -2.961 -4.167 36.046 542 HG SER 87 HG SER 87 -3.531 -5.641 37.439 543 H CYS 88 H CYS 88 -5.882 -3.272 33.469 544 HA CYS 88 HA CYS 88 -3.818 -1.652 32.277 545 HB2 CYS 88 2HB CYS 88 -6.276 -3.041 31.275 546 HB3 CYS 88 3HB CYS 88 -5.508 -1.814 30.276 547 HG CYS 88 HG CYS 88 -4.627 -4.234 29.309 548 H GLU 89 H GLU 89 -7.211 -1.260 33.177 549 HA GLU 89 HA GLU 89 -7.549 1.315 32.063 550 HB2 GLU 89 2HB GLU 89 -9.230 -0.499 33.164 551 HB3 GLU 89 3HB GLU 89 -9.103 0.650 34.488 552 HG2 GLU 89 2HG GLU 89 -9.521 1.979 31.955 553 HG3 GLU 89 3HG GLU 89 -10.793 0.810 32.304 554 H HIS 90 H HIS 90 -6.270 0.175 35.107 555 HA HIS 90 HA HIS 90 -6.161 2.861 36.218 556 HB2 HIS 90 2HB HIS 90 -5.259 0.196 37.328 557 HB3 HIS 90 3HB HIS 90 -5.160 1.725 38.198 558 HD1 HIS 90 HD1 HIS 90 -8.067 0.300 36.203 559 HD2 HIS 90 HD2 HIS 90 -7.115 1.513 40.061 560 HE1 HIS 90 HE1 HIS 90 -10.210 0.134 37.507 561 H SER 91 H SER 91 -4.107 0.560 34.630 562 HA SER 91 HA SER 91 -1.618 1.702 35.416 563 HB2 SER 91 2HB SER 91 -1.641 -0.579 34.652 564 HB3 SER 91 3HB SER 91 -2.372 -0.112 33.116 565 HG SER 91 HG SER 91 -0.479 0.841 32.506 566 H HIS 92 H HIS 92 -3.753 2.113 32.633 567 HA HIS 92 HA HIS 92 -1.986 3.903 31.263 568 HB2 HIS 92 2HB HIS 92 -4.209 2.437 30.545 569 HB3 HIS 92 3HB HIS 92 -4.819 4.089 30.550 570 HD1 HIS 92 HD1 HIS 92 -1.371 2.975 29.444 571 HD2 HIS 92 HD2 HIS 92 -4.855 4.602 27.870 572 HE1 HIS 92 HE1 HIS 92 -0.826 3.551 27.057 573 H ASP 93 H ASP 93 -4.621 4.227 33.537 574 HA ASP 93 HA ASP 93 -5.122 6.982 33.175 575 HB2 ASP 93 2HB ASP 93 -5.712 4.974 35.300 576 HB3 ASP 93 3HB ASP 93 -5.878 6.680 35.705 577 H HIS 94 H HIS 94 -2.637 5.244 34.845 578 HA HIS 94 HA HIS 94 -1.774 7.600 36.327 579 HB2 HIS 94 2HB HIS 94 -1.737 5.341 37.386 580 HB3 HIS 94 3HB HIS 94 -0.514 4.852 36.217 581 HD1 HIS 94 HD1 HIS 94 -0.205 8.285 37.553 582 HD2 HIS 94 HD2 HIS 94 1.256 4.495 38.427 583 HE1 HIS 94 HE1 HIS 94 1.718 8.653 39.132 584 H HIS 95 H HIS 95 -0.800 5.619 33.597 585 HA HIS 95 HA HIS 95 1.510 7.382 33.151 586 HB2 HIS 95 2HB HIS 95 0.871 4.599 32.182 587 HB3 HIS 95 3HB HIS 95 2.159 5.567 31.470 588 HD1 HIS 95 HD1 HIS 95 1.155 4.338 34.932 589 HD2 HIS 95 HD2 HIS 95 4.543 5.204 32.688 590 HE1 HIS 95 HE1 HIS 95 3.106 3.700 36.385 591 H ASP 96 H ASP 96 -1.121 8.291 32.582 592 HA ASP 96 HA ASP 96 -2.059 7.996 30.018 593 HB2 ASP 96 2HB ASP 96 -2.009 10.366 31.867 594 HB3 ASP 96 3HB ASP 96 -2.724 10.490 30.262 595 H ASP 97 H ASP 97 0.858 9.514 31.057 596 HA ASP 97 HA ASP 97 1.324 11.209 28.854 597 HB2 ASP 97 2HB ASP 97 3.760 10.957 29.551 598 HB3 ASP 97 3HB ASP 97 2.655 11.559 30.783 599 H ASP 98 H ASP 98 1.127 7.877 28.993 600 HA ASP 98 HA ASP 98 2.842 7.555 26.619 601 HB2 ASP 98 2HB ASP 98 1.998 5.588 28.746 602 HB3 ASP 98 3HB ASP 98 2.705 5.079 27.215 603 H THR 99 H THR 99 0.599 8.668 25.904 604 HA THR 99 HA THR 99 -1.468 6.707 25.363 605 HB THR 99 HB THR 99 -2.405 8.747 24.004 606 HG1 THR 99 HG1 THR 99 -1.580 10.706 25.204 607 HG21 THR 99 1HG2 THR 99 -3.692 8.263 25.826 608 HG22 THR 99 2HG2 THR 99 -3.000 9.786 26.384 609 HG23 THR 99 3HG2 THR 99 -2.318 8.255 26.930 610 H HIS 100 H HIS 100 1.317 6.626 24.146 611 HA HIS 100 HA HIS 100 0.573 5.623 21.620 612 HB2 HIS 100 2HB HIS 100 0.857 8.409 21.637 613 HB3 HIS 100 3HB HIS 100 2.352 7.803 20.931 614 HD1 HIS 100 HD1 HIS 100 2.101 6.358 18.729 615 HD2 HIS 100 HD2 HIS 100 -1.359 8.268 20.009 616 HE1 HIS 100 HE1 HIS 100 0.530 6.289 16.767 617 H GLY 101 H GLY 101 2.773 5.562 20.175 618 HA2 GLY 101 2HA GLY 101 4.810 4.509 22.035 619 HA3 GLY 101 3HA GLY 101 4.513 3.875 20.423 620 H GLU 102 H GLU 102 6.489 5.830 22.254 621 HA GLU 102 HA GLU 102 7.899 6.737 19.900 622 HB2 GLU 102 2HB GLU 102 6.598 8.653 19.975 623 HB3 GLU 102 3HB GLU 102 6.447 8.607 21.726 624 HG2 GLU 102 2HG GLU 102 7.822 10.444 21.259 625 HG3 GLU 102 3HG GLU 102 8.907 9.175 21.823 626 H CYS 103 H CYS 103 10.036 7.495 20.360 627 HA CYS 103 HA CYS 103 11.023 7.432 23.066 628 HB2 CYS 103 2HB CYS 103 12.578 5.545 21.460 629 HB3 CYS 103 3HB CYS 103 12.011 5.409 23.121 630 H THR 104 H THR 104 12.198 9.230 23.027 631 HA THR 104 HA THR 104 14.521 9.426 21.380 632 HB THR 104 HB THR 104 13.227 11.888 20.795 633 HG1 THR 104 HG1 THR 104 11.287 10.533 21.058 634 HG21 THR 104 1HG2 THR 104 14.304 9.565 19.248 635 HG22 THR 104 2HG2 THR 104 14.894 11.225 19.333 636 HG23 THR 104 3HG2 THR 104 13.441 10.852 18.407 637 H LYS 105 H LYS 105 13.301 9.715 24.201 638 HA LYS 105 HA LYS 105 14.498 12.316 24.878 639 HB2 LYS 105 2HB LYS 105 13.271 11.709 27.148 640 HB3 LYS 105 3HB LYS 105 12.410 12.455 25.808 641 HG2 LYS 105 2HG LYS 105 11.200 10.593 25.364 642 HG3 LYS 105 3HG LYS 105 12.491 9.499 25.867 643 HD2 LYS 105 2HD LYS 105 11.983 10.452 28.244 644 HD3 LYS 105 3HD LYS 105 10.436 10.904 27.523 645 HE2 LYS 105 2HE LYS 105 10.006 8.605 26.916 646 HE3 LYS 105 3HE LYS 105 11.599 8.121 27.493 647 HZ1 LYS 105 1HZ LYS 105 9.329 9.118 29.121 648 HZ2 LYS 105 2HZ LYS 105 10.893 8.907 29.730 649 HZ3 LYS 105 3HZ LYS 105 10.021 7.574 29.160 650 H LYS 106 H LYS 106 15.318 12.224 27.306 651 HA LYS 106 HA LYS 106 17.650 10.666 27.304 652 HB2 LYS 106 2HB LYS 106 16.232 12.152 29.514 653 HB3 LYS 106 3HB LYS 106 17.778 11.349 29.748 654 HG2 LYS 106 2HG LYS 106 18.877 13.059 28.869 655 HG3 LYS 106 3HG LYS 106 17.860 13.047 27.426 656 HD2 LYS 106 2HD LYS 106 16.687 14.156 29.916 657 HD3 LYS 106 3HD LYS 106 17.934 15.112 29.110 658 HE2 LYS 106 2HE LYS 106 16.569 14.741 26.975 659 HE3 LYS 106 3HE LYS 106 15.271 14.217 28.047 660 HZ1 LYS 106 1HZ LYS 106 15.773 16.458 29.224 661 HZ2 LYS 106 2HZ LYS 106 14.827 16.440 27.822 662 HZ3 LYS 106 3HZ LYS 106 16.456 16.888 27.737 663 H ALA 107 H ALA 107 14.575 9.612 27.692 664 HA ALA 107 HA ALA 107 15.350 7.445 29.531 665 HB1 ALA 107 1HB ALA 107 13.066 9.096 29.489 666 HB2 ALA 107 2HB ALA 107 12.538 7.474 29.037 667 HB3 ALA 107 3HB ALA 107 13.403 7.729 30.553 668 HA PRO 108 HA PRO 108 14.747 4.291 26.532 669 HB2 PRO 108 2HB PRO 108 12.957 2.563 27.617 670 HB3 PRO 108 3HB PRO 108 14.613 2.728 28.212 671 HG2 PRO 108 2HG PRO 108 12.085 3.914 29.291 672 HG3 PRO 108 3HG PRO 108 13.434 3.168 30.167 673 HD2 PRO 108 2HD PRO 108 13.137 5.852 29.963 674 HD3 PRO 108 3HD PRO 108 14.729 5.071 30.048 675 H CYS 109 H CYS 109 12.786 2.786 25.585 676 HA CYS 109 HA CYS 109 10.944 4.734 24.413 677 HB2 CYS 109 2HB CYS 109 12.433 3.124 23.045 678 HB3 CYS 109 3HB CYS 109 11.270 1.884 23.505 679 H TRP 110 H TRP 110 8.732 4.501 24.442 680 HA TRP 110 HA TRP 110 7.630 2.282 26.020 681 HB2 TRP 110 2HB TRP 110 6.480 3.639 27.484 682 HB3 TRP 110 3HB TRP 110 7.928 4.609 27.232 683 HD1 TRP 110 HD1 TRP 110 4.549 4.351 25.312 684 HE1 TRP 110 HE1 TRP 110 3.704 6.746 24.894 685 HE3 TRP 110 HE3 TRP 110 8.320 6.951 27.583 686 HZ2 TRP 110 HZ2 TRP 110 4.527 9.388 25.452 687 HZ3 TRP 110 HZ3 TRP 110 8.216 9.410 27.596 688 HH2 TRP 110 HH2 TRP 110 6.358 10.601 26.552 689 H ARG 111 H ARG 111 5.385 1.838 25.623 690 HA ARG 111 HA ARG 111 4.301 3.045 23.174 691 HB2 ARG 111 2HB ARG 111 3.583 0.818 22.398 692 HB3 ARG 111 3HB ARG 111 5.333 0.948 22.509 693 HG2 ARG 111 2HG ARG 111 3.806 -0.174 24.809 694 HG3 ARG 111 3HG ARG 111 4.102 -1.175 23.385 695 HD2 ARG 111 2HD ARG 111 6.560 -0.407 23.661 696 HD3 ARG 111 3HD ARG 111 6.068 0.025 25.298 697 HE ARG 111 HE ARG 111 6.560 -2.594 24.301 698 HH11 ARG 111 1HH1 ARG 111 4.590 -0.786 26.530 699 HH12 ARG 111 2HH1 ARG 111 4.325 -2.131 27.589 700 HH21 ARG 111 1HH2 ARG 111 6.218 -4.372 25.687 701 HH22 ARG 111 2HH2 ARG 111 5.252 -4.170 27.109 702 H CYS 112 H CYS 112 2.061 3.145 23.047 703 HA CYS 112 HA CYS 112 0.695 3.190 25.559 704 HB2 CYS 112 2HB CYS 112 -0.267 4.818 24.320 705 HB3 CYS 112 3HB CYS 112 0.152 4.039 22.799 706 HG CYS 112 HG CYS 112 -2.043 2.489 22.589 707 H GLU 113 H GLU 113 -0.645 1.727 26.437 708 HA GLU 113 HA GLU 113 -0.812 -0.881 25.207 709 HB2 GLU 113 2HB GLU 113 -1.777 -1.613 27.293 710 HB3 GLU 113 3HB GLU 113 -0.388 -0.592 27.636 711 HG2 GLU 113 2HG GLU 113 -1.673 0.598 28.981 712 HG3 GLU 113 3HG GLU 113 -2.576 1.138 27.567 713 H TYR 114 H TYR 114 -2.874 -2.057 25.067 714 HA TYR 114 HA TYR 114 -4.959 -0.302 23.992 715 HB2 TYR 114 2HB TYR 114 -3.820 -2.491 22.882 716 HB3 TYR 114 3HB TYR 114 -5.204 -3.234 23.676 717 HD1 TYR 114 HD1 TYR 114 -4.166 -2.077 20.648 718 HD2 TYR 114 HD2 TYR 114 -7.428 -1.600 23.338 719 HE1 TYR 114 HE1 TYR 114 -5.603 -1.387 18.775 720 HE2 TYR 114 HE2 TYR 114 -8.874 -0.910 21.472 721 HH TYR 114 HH TYR 114 -8.551 -1.494 18.581 722 H ASN 115 H ASN 115 -6.894 -0.087 24.930 723 HA ASN 115 HA ASN 115 -7.953 -2.104 26.703 724 HB2 ASN 115 2HB ASN 115 -6.345 -0.442 27.988 725 HB3 ASN 115 3HB ASN 115 -7.752 0.616 27.927 726 HD21 ASN 115 1HD2 ASN 115 -9.085 0.470 29.570 727 HD22 ASN 115 2HD2 ASN 115 -9.282 -0.898 30.607 728 H ALA 116 H ALA 116 -10.112 -1.313 27.645 729 HA ALA 116 HA ALA 116 -11.832 -0.643 25.559 730 HB1 ALA 116 1HB ALA 116 -13.476 -0.150 27.461 731 HB2 ALA 116 2HB ALA 116 -12.796 -1.774 27.360 732 HB3 ALA 116 3HB ALA 116 -12.164 -0.626 28.539 733 H ASP 117 H ASP 117 -11.705 1.213 24.460 734 HA ASP 117 HA ASP 117 -11.962 3.714 25.963 735 HB2 ASP 117 2HB ASP 117 -9.895 3.134 23.842 736 HB3 ASP 117 3HB ASP 117 -10.356 4.772 24.297 737 H LEU 118 H LEU 118 -12.521 5.565 24.447 738 HA LEU 118 HA LEU 118 -14.710 4.697 22.772 739 HB2 LEU 118 2HB LEU 118 -14.395 6.816 24.395 740 HB3 LEU 118 3HB LEU 118 -13.947 7.549 22.857 741 HG LEU 118 HG LEU 118 -16.298 6.266 22.247 742 HD11 LEU 118 1HD1 LEU 118 -17.074 5.701 24.330 743 HD12 LEU 118 2HD1 LEU 118 -17.765 7.312 24.146 744 HD13 LEU 118 3HD1 LEU 118 -16.309 7.084 25.113 745 HD21 LEU 118 1HD2 LEU 118 -15.309 8.714 21.953 746 HD22 LEU 118 2HD2 LEU 118 -16.450 9.052 23.255 747 HD23 LEU 118 3HD2 LEU 118 -17.024 8.360 21.737 748 H LYS 119 H LYS 119 -14.996 6.120 20.680 749 HA LYS 119 HA LYS 119 -13.366 5.208 18.711 750 HB2 LYS 119 2HB LYS 119 -14.070 7.276 17.400 751 HB3 LYS 119 3HB LYS 119 -15.363 6.282 18.058 752 HG2 LYS 119 2HG LYS 119 -16.176 7.991 19.206 753 HG3 LYS 119 3HG LYS 119 -14.606 8.309 19.948 754 HD2 LYS 119 2HD LYS 119 -15.399 10.254 18.705 755 HD3 LYS 119 3HD LYS 119 -13.934 9.593 17.976 756 HE2 LYS 119 2HE LYS 119 -15.269 8.465 16.283 757 HE3 LYS 119 3HE LYS 119 -16.750 9.058 17.032 758 HZ1 LYS 119 1HZ LYS 119 -16.499 11.075 16.122 759 HZ2 LYS 119 2HZ LYS 119 -15.485 10.286 15.022 760 HZ3 LYS 119 3HZ LYS 119 -14.822 11.104 16.346 761 H HIS 120 H HIS 120 -11.222 5.298 18.591 762 HA HIS 120 HA HIS 120 -9.924 7.916 18.724 763 HB2 HIS 120 2HB HIS 120 -9.158 5.504 20.364 764 HB3 HIS 120 3HB HIS 120 -8.021 6.805 20.019 765 HD1 HIS 120 HD1 HIS 120 -9.512 5.866 22.819 766 HD2 HIS 120 HD2 HIS 120 -10.053 9.336 20.599 767 HE1 HIS 120 HE1 HIS 120 -10.441 7.558 24.432 768 H ASP 121 H ASP 121 -7.370 7.329 18.293 769 HA ASP 121 HA ASP 121 -7.423 5.827 15.762 770 HB2 ASP 121 2HB ASP 121 -6.826 8.369 15.894 771 HB3 ASP 121 3HB ASP 121 -5.266 7.786 16.470 772 H VAL 122 H VAL 122 -5.187 4.943 15.157 773 HA VAL 122 HA VAL 122 -4.470 2.944 16.964 774 HB VAL 122 HB VAL 122 -2.378 2.727 15.528 775 HG11 VAL 122 1HG1 VAL 122 -5.014 2.737 14.064 776 HG12 VAL 122 2HG1 VAL 122 -3.590 1.765 13.686 777 HG13 VAL 122 3HG1 VAL 122 -4.490 1.472 15.175 778 HG21 VAL 122 1HG2 VAL 122 -3.572 4.425 13.459 779 HG22 VAL 122 2HG2 VAL 122 -2.910 5.308 14.834 780 HG23 VAL 122 3HG2 VAL 122 -1.882 4.209 13.914 781 H CYS 123 H CYS 123 -2.475 2.597 18.106 782 HA CYS 123 HA CYS 123 -0.848 4.932 18.703 783 HB2 CYS 123 2HB CYS 123 -2.335 3.432 20.869 784 HB3 CYS 123 3HB CYS 123 -1.151 4.706 21.132 785 HG CYS 123 HG CYS 123 -4.391 4.933 20.361 786 H GLY 124 H GLY 124 0.613 4.029 20.797 787 HA2 GLY 124 2HA GLY 124 2.532 2.791 21.122 788 HA3 GLY 124 3HA GLY 124 1.418 1.436 21.006 789 H CYS 125 H CYS 125 2.285 -0.063 19.740 790 HA CYS 125 HA CYS 125 3.986 0.701 17.510 791 HB2 CYS 125 2HB CYS 125 3.235 -2.098 18.353 792 HB3 CYS 125 3HB CYS 125 4.619 -1.598 17.389 793 HG CYS 125 HG CYS 125 5.053 -2.456 20.219 794 H GLU 126 H GLU 126 0.802 0.608 17.852 795 HA GLU 126 HA GLU 126 0.021 -0.994 15.602 796 HB2 GLU 126 2HB GLU 126 -1.290 0.154 17.775 797 HB3 GLU 126 3HB GLU 126 -1.904 1.036 16.384 798 HG2 GLU 126 2HG GLU 126 -1.793 -1.908 16.158 799 HG3 GLU 126 3HG GLU 126 -2.988 -1.230 17.262 800 H CYS 127 H CYS 127 2.033 1.037 15.078 801 HA CYS 127 HA CYS 127 0.602 2.935 13.367 802 HB2 CYS 127 2HB CYS 127 3.406 2.827 14.448 803 HB3 CYS 127 3HB CYS 127 2.999 3.873 13.093 804 HG CYS 127 HG CYS 127 1.001 4.159 15.784 805 H SER 128 H SER 128 0.429 2.595 11.258 806 HA SER 128 HA SER 128 1.476 0.305 9.994 807 HB2 SER 128 2HB SER 128 -0.545 1.964 9.399 808 HB3 SER 128 3HB SER 128 0.676 2.623 8.311 809 HG SER 128 HG SER 128 -0.467 0.053 8.357 810 H LYS 129 H LYS 129 2.403 1.085 7.537 811 HA LYS 129 HA LYS 129 5.143 1.510 8.035 812 HB2 LYS 129 2HB LYS 129 5.457 1.301 5.732 813 HB3 LYS 129 3HB LYS 129 3.992 0.372 6.021 814 HG2 LYS 129 2HG LYS 129 4.096 3.202 4.996 815 HG3 LYS 129 3HG LYS 129 3.815 1.758 4.020 816 HD2 LYS 129 2HD LYS 129 1.802 1.287 5.401 817 HD3 LYS 129 3HD LYS 129 2.060 2.822 6.232 818 HE2 LYS 129 2HE LYS 129 1.369 4.055 4.454 819 HE3 LYS 129 3HE LYS 129 1.986 2.899 3.274 820 HZ1 LYS 129 1HZ LYS 129 -0.116 2.280 3.011 821 HZ2 LYS 129 2HZ LYS 129 -0.638 3.138 4.372 822 HZ3 LYS 129 3HZ LYS 129 -0.033 1.567 4.544 823 H LEU 130 H LEU 130 2.921 3.671 8.614 824 HA LEU 130 HA LEU 130 3.622 5.970 7.151 825 HB2 LEU 130 2HB LEU 130 2.075 5.343 9.556 826 HB3 LEU 130 3HB LEU 130 2.800 6.949 9.566 827 HG LEU 130 HG LEU 130 1.643 7.505 7.498 828 HD11 LEU 130 1HD1 LEU 130 -0.044 5.967 6.578 829 HD12 LEU 130 2HD1 LEU 130 0.505 4.720 7.697 830 HD13 LEU 130 3HD1 LEU 130 1.594 5.327 6.450 831 HD21 LEU 130 1HD2 LEU 130 -0.080 8.177 8.725 832 HD22 LEU 130 2HD2 LEU 130 0.471 7.107 10.014 833 HD23 LEU 130 3HD2 LEU 130 -0.705 6.531 8.832 834 HA PRO 131 HA PRO 131 7.352 7.450 8.924 835 HB2 PRO 131 2HB PRO 131 6.884 10.104 9.248 836 HB3 PRO 131 3HB PRO 131 7.111 9.355 7.663 837 HG2 PRO 131 2HG PRO 131 4.570 10.111 9.055 838 HG3 PRO 131 3HG PRO 131 5.023 10.332 7.355 839 HD2 PRO 131 2HD PRO 131 3.416 8.317 8.184 840 HD3 PRO 131 3HD PRO 131 4.524 8.150 6.808 841 H CYS 132 H CYS 132 6.081 6.156 10.897 842 HA CYS 132 HA CYS 132 6.509 7.908 13.213 843 HB2 CYS 132 2HB CYS 132 4.144 6.106 12.718 844 HB3 CYS 132 3HB CYS 132 4.599 6.626 14.337 845 H ASN 133 H ASN 133 5.331 5.264 14.543 846 HA ASN 133 HA ASN 133 7.107 4.168 15.968 847 HB2 ASN 133 2HB ASN 133 6.499 1.853 15.360 848 HB3 ASN 133 3HB ASN 133 5.088 2.905 15.437 849 HD21 ASN 133 1HD2 ASN 133 6.181 0.416 13.830 850 HD22 ASN 133 2HD2 ASN 133 5.587 0.738 12.240 851 H ASP 134 H ASP 134 9.250 4.458 15.741 852 HA ASP 134 HA ASP 134 10.577 3.714 13.258 853 HB2 ASP 134 2HB ASP 134 11.444 5.152 15.751 854 HB3 ASP 134 3HB ASP 134 12.633 4.546 14.602 855 H GLU 135 H GLU 135 12.150 3.326 16.341 856 HA GLU 135 HA GLU 135 11.779 0.667 16.910 857 HB2 GLU 135 2HB GLU 135 13.329 1.036 14.491 858 HB3 GLU 135 3HB GLU 135 14.264 0.191 15.717 859 HG2 GLU 135 2HG GLU 135 11.863 -1.095 15.853 860 HG3 GLU 135 3HG GLU 135 11.984 -0.713 14.136 861 H HIS 136 H HIS 136 12.090 1.864 18.890 862 HA HIS 136 HA HIS 136 14.933 2.253 19.561 863 HB2 HIS 136 2HB HIS 136 12.606 3.940 19.994 864 HB3 HIS 136 3HB HIS 136 13.447 3.593 21.501 865 HD1 HIS 136 HD1 HIS 136 14.854 4.326 18.041 866 HD2 HIS 136 HD2 HIS 136 14.987 5.772 21.934 867 HE1 HIS 136 HE1 HIS 136 16.522 6.208 18.002 868 HA PRO 137 HA PRO 137 14.650 -0.790 22.708 869 HB2 PRO 137 2HB PRO 137 16.191 0.275 24.673 870 HB3 PRO 137 3HB PRO 137 16.862 -0.372 23.171 871 HG2 PRO 137 2HG PRO 137 16.302 2.470 23.926 872 HG3 PRO 137 3HG PRO 137 17.715 1.790 23.098 873 HD2 PRO 137 2HD PRO 137 15.719 3.056 21.775 874 HD3 PRO 137 3HD PRO 137 16.641 1.718 21.059 875 H CYS 138 H CYS 138 12.606 -0.939 23.511 876 HA CYS 138 HA CYS 138 11.446 1.102 25.160 877 HB2 CYS 138 2HB CYS 138 10.590 -1.591 24.179 878 HB3 CYS 138 3HB CYS 138 9.725 -0.863 25.527 879 HG CYS 138 HG CYS 138 8.261 0.727 24.137 880 H TYR 139 H TYR 139 10.211 -0.029 27.213 881 HA TYR 139 HA TYR 139 12.030 -0.114 29.258 882 HB2 TYR 139 2HB TYR 139 9.258 -0.451 29.008 883 HB3 TYR 139 3HB TYR 139 9.822 -1.885 29.858 884 HD1 TYR 139 HD1 TYR 139 10.978 -1.660 32.033 885 HD2 TYR 139 HD2 TYR 139 9.273 1.700 30.056 886 HE1 TYR 139 HE1 TYR 139 11.083 -0.380 34.131 887 HE2 TYR 139 HE2 TYR 139 9.374 2.989 32.148 888 HH TYR 139 HH TYR 139 10.649 2.974 34.260 889 H ARG 140 H ARG 140 12.462 -2.000 30.756 890 HA ARG 140 HA ARG 140 13.669 -4.123 29.193 891 HB2 ARG 140 2HB ARG 140 15.135 -3.390 30.837 892 HB3 ARG 140 3HB ARG 140 13.861 -3.202 32.034 893 HG2 ARG 140 2HG ARG 140 13.968 -5.363 32.692 894 HG3 ARG 140 3HG ARG 140 14.385 -5.948 31.079 895 HD2 ARG 140 2HD ARG 140 16.592 -4.496 31.694 896 HD3 ARG 140 3HD ARG 140 16.119 -5.079 33.289 897 HE ARG 140 HE ARG 140 16.124 -7.167 31.348 898 HH11 ARG 140 1HH1 ARG 140 18.174 -5.258 33.416 899 HH12 ARG 140 2HH1 ARG 140 19.412 -6.466 33.522 900 HH21 ARG 140 1HH2 ARG 140 17.747 -8.764 31.480 901 HH22 ARG 140 2HH2 ARG 140 19.169 -8.459 32.420 902 H LYS 141 H LYS 141 11.778 -4.159 32.218 903 HA LYS 141 HA LYS 141 11.006 -6.859 31.959 904 HB2 LYS 141 2HB LYS 141 9.473 -4.784 33.516 905 HB3 LYS 141 3HB LYS 141 9.627 -6.503 33.855 906 HG2 LYS 141 2HG LYS 141 12.041 -6.136 34.314 907 HG3 LYS 141 3HG LYS 141 11.766 -4.403 34.125 908 HD2 LYS 141 2HD LYS 141 11.224 -4.326 36.282 909 HD3 LYS 141 3HD LYS 141 9.791 -5.284 35.900 910 HE2 LYS 141 2HE LYS 141 12.503 -6.346 36.687 911 HE3 LYS 141 3HE LYS 141 11.056 -6.323 37.695 912 HZ1 LYS 141 1HZ LYS 141 11.458 -8.498 36.679 913 HZ2 LYS 141 2HZ LYS 141 11.325 -7.812 35.139 914 HZ3 LYS 141 3HZ LYS 141 9.987 -7.835 36.173 915 H GLU 142 H GLU 142 10.269 -4.588 29.872 916 HA GLU 142 HA GLU 142 8.215 -5.886 28.589 917 HB2 GLU 142 2HB GLU 142 6.319 -4.216 29.126 918 HB3 GLU 142 3HB GLU 142 6.636 -5.518 30.264 919 HG2 GLU 142 2HG GLU 142 7.262 -4.117 31.893 920 HG3 GLU 142 3HG GLU 142 8.130 -3.054 30.787 921 H GLY 143 H GLY 143 9.044 -5.251 26.682 922 HA2 GLY 143 2HA GLY 143 8.376 -3.066 25.298 923 HA3 GLY 143 3HA GLY 143 9.739 -2.464 26.229 924 H GLY 144 H GLY 144 11.768 -2.863 25.532 925 HA2 GLY 144 2HA GLY 144 13.475 -3.966 24.374 926 HA3 GLY 144 3HA GLY 144 12.270 -5.014 23.641 927 H VAL 145 H VAL 145 14.083 -4.260 21.939 928 HA VAL 145 HA VAL 145 13.784 -1.744 20.708 929 HB VAL 145 HB VAL 145 14.815 -2.896 18.694 930 HG11 VAL 145 1HG1 VAL 145 16.909 -2.651 19.577 931 HG12 VAL 145 2HG1 VAL 145 15.963 -1.828 20.819 932 HG13 VAL 145 3HG1 VAL 145 16.498 -3.490 21.073 933 HG21 VAL 145 1HG2 VAL 145 15.651 -5.198 20.259 934 HG22 VAL 145 2HG2 VAL 145 13.915 -5.186 19.945 935 HG23 VAL 145 3HG2 VAL 145 15.055 -5.114 18.601 936 H VAL 146 H VAL 146 11.740 -1.145 20.181 937 HA VAL 146 HA VAL 146 10.437 -2.689 18.056 938 HB VAL 146 HB VAL 146 8.283 -2.578 19.030 939 HG11 VAL 146 1HG1 VAL 146 8.570 -3.777 21.177 940 HG12 VAL 146 2HG1 VAL 146 9.602 -4.404 19.891 941 HG13 VAL 146 3HG1 VAL 146 10.285 -3.367 21.143 942 HG21 VAL 146 1HG2 VAL 146 9.511 -0.496 20.705 943 HG22 VAL 146 2HG2 VAL 146 7.863 -0.635 20.092 944 HG23 VAL 146 3HG2 VAL 146 8.349 -1.536 21.528 945 H SER 147 H SER 147 9.089 -1.464 16.673 946 HA SER 147 HA SER 147 9.999 1.159 16.166 947 HB2 SER 147 2HB SER 147 8.086 1.208 14.510 948 HB3 SER 147 3HB SER 147 9.203 -0.143 14.322 949 HG SER 147 HG SER 147 6.663 -0.193 15.588 950 H CYS 148 H CYS 148 9.377 3.053 16.964 951 HA CYS 148 HA CYS 148 6.678 3.571 17.783 952 HB2 CYS 148 2HB CYS 148 8.802 3.022 19.799 953 HB3 CYS 148 3HB CYS 148 7.680 4.335 20.134 954 HG CYS 148 HG CYS 148 6.318 2.541 21.456 955 H ASP 149 H ASP 149 6.454 5.449 16.754 956 HA ASP 149 HA ASP 149 8.060 7.706 17.567 957 HB2 ASP 149 2HB ASP 149 8.662 6.309 15.130 958 HB3 ASP 149 3HB ASP 149 8.063 7.921 14.748 959 H CYS 150 H CYS 150 5.872 8.138 18.371 960 HA CYS 150 HA CYS 150 4.449 9.846 16.551 961 HB2 CYS 150 2HB CYS 150 3.448 7.143 17.181 962 HB3 CYS 150 3HB CYS 150 2.272 8.438 17.386 963 H LYS 151 H LYS 151 2.541 10.880 17.665 964 HA LYS 151 HA LYS 151 1.688 12.089 19.393 965 HB2 LYS 151 2HB LYS 151 1.204 9.863 20.340 966 HB3 LYS 151 3HB LYS 151 2.794 9.845 21.093 967 HG2 LYS 151 2HG LYS 151 1.992 12.059 22.202 968 HG3 LYS 151 3HG LYS 151 0.384 11.455 21.795 969 HD2 LYS 151 2HD LYS 151 0.933 10.764 24.034 970 HD3 LYS 151 3HD LYS 151 0.932 9.345 22.983 971 HE2 LYS 151 2HE LYS 151 3.536 10.633 23.134 972 HE3 LYS 151 3HE LYS 151 2.950 10.102 24.710 973 HZ1 LYS 151 1HZ LYS 151 2.485 7.904 23.585 974 HZ2 LYS 151 2HZ LYS 151 4.114 8.292 23.824 975 HZ3 LYS 151 3HZ LYS 151 3.420 8.464 22.291 976 H THR 152 H THR 152 4.273 10.767 21.378 977 HA THR 152 HA THR 152 5.173 13.380 22.104 978 HB THR 152 HB THR 152 7.089 11.978 23.186 979 HG1 THR 152 HG1 THR 152 5.176 9.963 22.537 980 HG21 THR 152 1HG2 THR 152 5.181 11.073 24.853 981 HG22 THR 152 2HG2 THR 152 4.240 12.244 23.929 982 HG23 THR 152 3HG2 THR 152 5.689 12.760 24.790 983 H ILE 153 H ILE 153 5.388 12.641 19.254 984 HA ILE 153 HA ILE 153 7.849 11.992 18.304 985 HB ILE 153 HB ILE 153 5.883 12.633 16.907 986 HG12 ILE 153 2HG1 ILE 153 7.204 13.538 15.063 987 HG13 ILE 153 3HG1 ILE 153 8.453 14.060 16.187 988 HG21 ILE 153 1HG2 ILE 153 6.035 15.019 18.289 989 HG22 ILE 153 2HG2 ILE 153 6.625 15.429 16.679 990 HG23 ILE 153 3HG2 ILE 153 5.034 14.694 16.874 991 HD11 ILE 153 1HD1 ILE 153 9.437 12.084 16.091 992 HD12 ILE 153 2HD1 ILE 153 7.935 11.254 16.498 993 HD13 ILE 153 3HD1 ILE 153 8.301 11.641 14.817 994 H THR 154 H THR 154 9.681 13.250 17.585 995 HA THR 154 HA THR 154 10.680 14.964 19.622 996 HB THR 154 HB THR 154 12.658 15.228 18.175 997 HG1 THR 154 HG1 THR 154 10.883 14.197 16.289 998 HG21 THR 154 1HG2 THR 154 13.289 12.838 18.059 999 HG22 THR 154 2HG2 THR 154 11.609 12.402 18.369 1000 HG23 THR 154 3HG2 THR 154 12.537 13.265 19.595 1001 H CYS 155 H CYS 155 11.510 17.146 19.283 1002 HA CYS 155 HA CYS 155 10.540 18.710 17.083 1003 HB2 CYS 155 2HB CYS 155 9.007 20.118 18.256 1004 HB3 CYS 155 3HB CYS 155 8.516 18.456 18.566 1005 H ASN 156 H ASN 156 12.873 18.982 17.069 1006 HA ASN 156 HA ASN 156 13.660 21.414 18.312 1007 HB2 ASN 156 2HB ASN 156 14.225 18.977 19.742 1008 HB3 ASN 156 3HB ASN 156 15.731 19.739 19.239 1009 HD21 ASN 156 1HD2 ASN 156 14.844 19.443 21.904 1010 HD22 ASN 156 2HD2 ASN 156 14.607 21.023 22.561 1011 H GLU 157 H GLU 157 15.977 21.950 17.793 1012 HA GLU 157 HA GLU 157 16.472 21.671 15.077 1013 HB2 GLU 157 2HB GLU 157 18.284 22.399 17.371 1014 HB3 GLU 157 3HB GLU 157 18.845 22.398 15.705 1015 HG2 GLU 157 2HG GLU 157 18.223 24.549 15.771 1016 HG3 GLU 157 3HG GLU 157 16.622 23.887 15.447 1017 H ASP 158 H ASP 158 19.331 20.820 16.692 1018 HA ASP 158 HA ASP 158 19.396 18.269 15.291 1019 HB2 ASP 158 2HB ASP 158 21.458 20.015 16.593 1020 HB3 ASP 158 3HB ASP 158 21.821 18.322 16.272 1021 H HIS 159 H HIS 159 17.690 18.583 17.630 1022 HA HIS 159 HA HIS 159 18.630 16.269 19.103 1023 HB2 HIS 159 2HB HIS 159 19.352 18.608 20.182 1024 HB3 HIS 159 3HB HIS 159 17.718 18.511 20.834 1025 HD1 HIS 159 HD1 HIS 159 17.280 16.797 22.670 1026 HD2 HIS 159 HD2 HIS 159 21.135 16.622 21.131 1027 HE1 HIS 159 HE1 HIS 159 18.560 15.299 24.233 1028 HA PRO 160 HA PRO 160 14.319 15.372 18.903 1029 HB2 PRO 160 2HB PRO 160 14.243 13.373 20.737 1030 HB3 PRO 160 3HB PRO 160 14.928 13.168 19.121 1031 HG2 PRO 160 2HG PRO 160 16.325 13.675 21.720 1032 HG3 PRO 160 3HG PRO 160 16.758 12.552 20.417 1033 HD2 PRO 160 2HD PRO 160 17.964 14.956 20.729 1034 HD3 PRO 160 3HD PRO 160 17.719 14.210 19.137 1035 H CYS 161 H CYS 161 12.450 15.901 19.956 1036 HA CYS 161 HA CYS 161 12.490 16.487 22.803 1037 HB2 CYS 161 2HB CYS 161 12.904 18.676 22.404 1038 HB3 CYS 161 3HB CYS 161 12.451 18.554 20.708 1039 H TYR 162 H TYR 162 10.770 15.480 23.581 1040 HA TYR 162 HA TYR 162 8.594 14.643 21.954 1041 HB2 TYR 162 2HB TYR 162 7.659 13.718 23.978 1042 HB3 TYR 162 3HB TYR 162 9.394 13.420 23.976 1043 HD1 TYR 162 HD1 TYR 162 10.878 14.868 25.403 1044 HD2 TYR 162 HD2 TYR 162 6.636 14.947 25.717 1045 HE1 TYR 162 HE1 TYR 162 11.067 15.927 27.615 1046 HE2 TYR 162 HE2 TYR 162 6.813 16.007 27.929 1047 HH TYR 162 HH TYR 162 8.307 16.359 29.687 1048 H HIS 163 H HIS 163 6.822 15.712 21.396 1049 HA HIS 163 HA HIS 163 6.348 18.383 21.984 1050 HB2 HIS 163 2HB HIS 163 4.904 16.217 20.650 1051 HB3 HIS 163 3HB HIS 163 3.836 17.404 21.393 1052 HD1 HIS 163 HD1 HIS 163 7.142 18.197 19.741 1053 HD2 HIS 163 HD2 HIS 163 3.069 18.736 19.123 1054 HE1 HIS 163 HE1 HIS 163 6.961 19.748 17.769 1055 H SER 164 H SER 164 4.047 15.869 22.978 1056 HA SER 164 HA SER 164 4.143 16.616 25.744 1057 HB2 SER 164 2HB SER 164 1.485 17.168 24.479 1058 HB3 SER 164 3HB SER 164 2.160 17.794 25.984 1059 HG SER 164 HG SER 164 2.717 18.577 23.331 1060 H TYR 165 H TYR 165 1.531 15.806 26.436 1061 HA TYR 165 HA TYR 165 1.655 12.958 25.698 1062 HB2 TYR 165 2HB TYR 165 0.309 12.718 27.901 1063 HB3 TYR 165 3HB TYR 165 2.038 13.033 27.998 1064 HD1 TYR 165 HD1 TYR 165 -1.294 14.329 28.668 1065 HD2 TYR 165 HD2 TYR 165 2.856 15.268 28.646 1066 HE1 TYR 165 HE1 TYR 165 -1.740 16.305 30.062 1067 HE2 TYR 165 HE2 TYR 165 2.421 17.247 30.041 1068 HH TYR 165 HH TYR 165 -0.023 18.775 30.354 1069 H GLU 166 H GLU 166 0.195 12.568 24.156 1070 HA GLU 166 HA GLU 166 -2.551 12.630 24.647 1071 HB2 GLU 166 2HB GLU 166 -1.694 15.168 24.085 1072 HB3 GLU 166 3HB GLU 166 -2.169 14.592 22.493 1073 HG2 GLU 166 2HG GLU 166 -4.379 14.388 23.070 1074 HG3 GLU 166 3HG GLU 166 -4.025 14.198 24.786 1075 H GLU 167 H GLU 167 -2.890 10.746 23.653 1076 HA GLU 167 HA GLU 167 -1.658 9.396 21.755 1077 HB2 GLU 167 2HB GLU 167 -3.977 8.735 20.822 1078 HB3 GLU 167 3HB GLU 167 -3.624 8.401 22.511 1079 HG2 GLU 167 2HG GLU 167 -4.877 11.006 21.943 1080 HG3 GLU 167 3HG GLU 167 -5.875 9.581 21.660 1081 H ASP 168 H ASP 168 -0.493 10.704 20.331 1082 HA ASP 168 HA ASP 168 -2.077 11.724 18.076 1083 HB2 ASP 168 2HB ASP 168 -0.065 13.169 19.717 1084 HB3 ASP 168 3HB ASP 168 -0.019 13.439 17.977 1085 H GLY 169 H GLY 169 -0.350 12.332 16.236 1086 HA2 GLY 169 2HA GLY 169 1.727 10.266 16.113 1087 HA3 GLY 169 3HA GLY 169 0.478 10.256 14.876 1088 H VAL 170 H VAL 170 3.340 10.616 14.546 1089 HA VAL 170 HA VAL 170 4.104 13.267 14.156 1090 HB VAL 170 HB VAL 170 4.990 10.982 12.400 1091 HG11 VAL 170 1HG1 VAL 170 6.071 13.668 13.117 1092 HG12 VAL 170 2HG1 VAL 170 7.189 12.362 12.721 1093 HG13 VAL 170 3HG1 VAL 170 5.978 12.875 11.545 1094 HG21 VAL 170 1HG2 VAL 170 6.763 10.605 14.104 1095 HG22 VAL 170 2HG2 VAL 170 5.898 11.696 15.186 1096 HG23 VAL 170 3HG2 VAL 170 5.142 10.191 14.663 1097 H THR 171 H THR 171 2.952 14.705 13.036 1098 HA THR 171 HA THR 171 2.213 14.026 10.273 1099 HB THR 171 HB THR 171 0.270 15.839 11.005 1100 HG1 THR 171 HG1 THR 171 -0.621 14.872 12.935 1101 HG21 THR 171 1HG2 THR 171 -1.021 13.457 11.285 1102 HG22 THR 171 2HG2 THR 171 0.429 12.968 10.408 1103 HG23 THR 171 3HG2 THR 171 -0.630 14.208 9.739 1104 H LYS 172 H LYS 172 4.048 15.175 9.568 1105 HA LYS 172 HA LYS 172 3.599 17.989 9.230 1106 HB2 LYS 172 2HB LYS 172 5.011 17.329 11.491 1107 HB3 LYS 172 3HB LYS 172 6.296 17.594 10.319 1108 HG2 LYS 172 2HG LYS 172 5.863 19.817 10.135 1109 HG3 LYS 172 3HG LYS 172 4.141 19.624 10.473 1110 HD2 LYS 172 2HD LYS 172 4.810 20.602 12.428 1111 HD3 LYS 172 3HD LYS 172 5.055 18.906 12.849 1112 HE2 LYS 172 2HE LYS 172 7.198 20.723 11.755 1113 HE3 LYS 172 3HE LYS 172 6.956 20.387 13.468 1114 HZ1 LYS 172 1HZ LYS 172 7.186 17.953 12.773 1115 HZ2 LYS 172 2HZ LYS 172 8.591 18.893 12.830 1116 HZ3 LYS 172 3HZ LYS 172 7.862 18.552 11.342 1117 H SER 173 H SER 173 5.743 18.940 8.141 1118 HA SER 173 HA SER 173 6.820 16.924 6.293 1119 HB2 SER 173 2HB SER 173 6.608 19.183 4.720 1120 HB3 SER 173 3HB SER 173 5.517 17.798 4.674 1121 HG SER 173 HG SER 173 5.105 19.885 6.519 1122 H ASP 174 H ASP 174 8.745 17.017 7.534 1123 HA ASP 174 HA ASP 174 10.182 19.262 8.254 1124 HB2 ASP 174 2HB ASP 174 10.951 16.450 7.586 1125 HB3 ASP 174 3HB ASP 174 12.222 17.646 7.820 1126 H CYS 175 H CYS 175 10.693 17.322 5.301 1127 HA CYS 175 HA CYS 175 10.895 19.486 3.554 1128 HB2 CYS 175 2HB CYS 175 13.142 19.346 5.183 1129 HB3 CYS 175 3HB CYS 175 13.654 18.564 3.693 1130 HG CYS 175 HG CYS 175 14.517 21.105 3.358 1131 H ASP 176 H ASP 176 12.665 18.651 1.668 1132 HA ASP 176 HA ASP 176 11.796 15.896 1.083 1133 HB2 ASP 176 2HB ASP 176 11.943 16.631 -1.357 1134 HB3 ASP 176 3HB ASP 176 10.595 17.270 -0.421 1135 H CYS 177 H CYS 177 14.122 16.231 2.443 1136 HA CYS 177 HA CYS 177 16.170 15.730 0.385 1137 HB2 CYS 177 2HB CYS 177 16.249 17.801 2.139 1138 HB3 CYS 177 3HB CYS 177 17.096 16.566 3.063 1139 HG CYS 177 HG CYS 177 19.235 17.677 2.008 1140 H GLU 178 H GLU 178 18.103 14.495 1.465 1141 HA GLU 178 HA GLU 178 17.275 11.921 2.037 1142 HB2 GLU 178 2HB GLU 178 19.727 13.245 1.733 1143 HB3 GLU 178 3HB GLU 178 19.810 12.479 3.313 1144 HG2 GLU 178 2HG GLU 178 19.317 11.159 0.660 1145 HG3 GLU 178 3HG GLU 178 20.712 10.967 1.720 1146 H HIS 179 H HIS 179 15.868 11.533 3.653 1147 HA HIS 179 HA HIS 179 16.394 12.652 6.306 1148 HB2 HIS 179 2HB HIS 179 13.999 11.600 4.906 1149 HB3 HIS 179 3HB HIS 179 14.079 11.326 6.644 1150 HD1 HIS 179 HD1 HIS 179 14.720 14.337 4.389 1151 HD2 HIS 179 HD2 HIS 179 12.811 13.317 7.935 1152 HE1 HIS 179 HE1 HIS 179 13.682 16.467 5.230 1153 H SER 180 H SER 180 16.428 9.666 4.539 1154 HA SER 180 HA SER 180 16.943 7.519 5.107 1155 HB2 SER 180 2HB SER 180 18.741 9.249 6.708 1156 HB3 SER 180 3HB SER 180 18.648 7.559 7.201 1157 HG SER 180 HG SER 180 20.226 8.295 5.459 1158 HA PRO 181 HA PRO 181 13.835 7.471 8.556 1159 HB2 PRO 181 2HB PRO 181 12.111 5.801 7.288 1160 HB3 PRO 181 3HB PRO 181 12.083 7.555 7.072 1161 HG2 PRO 181 2HG PRO 181 13.293 5.450 5.321 1162 HG3 PRO 181 3HG PRO 181 12.349 6.879 4.863 1163 HD2 PRO 181 2HD PRO 181 15.050 6.805 4.698 1164 HD3 PRO 181 3HD PRO 181 14.156 8.295 5.064 1165 H GLY 182 H GLY 182 15.765 6.272 9.463 1166 HA2 GLY 182 2HA GLY 182 15.212 3.368 9.429 1167 HA3 GLY 182 3HA GLY 182 16.847 4.012 9.486 1168 HA PRO 183 HA PRO 183 15.078 3.257 13.807 1169 HB2 PRO 183 2HB PRO 183 16.734 1.220 14.500 1170 HB3 PRO 183 3HB PRO 183 15.172 0.963 13.715 1171 HG2 PRO 183 2HG PRO 183 17.914 0.992 12.514 1172 HG3 PRO 183 3HG PRO 183 16.568 -0.121 12.204 1173 HD2 PRO 183 2HD PRO 183 17.173 1.931 10.544 1174 HD3 PRO 183 3HD PRO 183 15.512 1.353 10.781 1175 H SER 184 H SER 184 16.050 5.306 14.222 1176 HA SER 184 HA SER 184 18.733 5.920 14.323 1177 HB2 SER 184 2HB SER 184 16.287 6.979 15.578 1178 HB3 SER 184 3HB SER 184 17.776 7.354 16.444 1179 HG SER 184 HG SER 184 17.690 7.718 13.667 1180 H GLU 185 H GLU 185 16.788 4.170 16.660 1181 HA GLU 185 HA GLU 185 17.312 3.016 18.550 1182 HB2 GLU 185 2HB GLU 185 19.560 2.655 16.716 1183 HB3 GLU 185 3HB GLU 185 20.008 2.438 18.402 1184 HG2 GLU 185 2HG GLU 185 17.815 0.956 18.408 1185 HG3 GLU 185 3HG GLU 185 18.202 0.828 16.693 Start of MODEL 10 1 H1 MET 1 H MET 1 10.215 -0.765 7.687 2 HA MET 1 HA MET 1 11.674 -0.976 5.947 3 HB2 MET 1 2HB MET 1 13.858 0.312 6.073 4 HB3 MET 1 3HB MET 1 12.386 1.272 6.141 5 HG2 MET 1 2HG MET 1 12.621 1.265 8.640 6 HG3 MET 1 3HG MET 1 14.213 0.545 8.410 7 HE1 MET 1 1HE MET 1 15.420 2.882 5.701 8 HE2 MET 1 2HE MET 1 16.469 2.835 7.119 9 HE3 MET 1 3HE MET 1 15.656 1.367 6.573 10 H ALA 2 H ALA 2 11.818 -3.202 6.475 11 HA ALA 2 HA ALA 2 13.786 -4.196 8.291 12 HB1 ALA 2 1HB ALA 2 12.271 -5.837 8.131 13 HB2 ALA 2 2HB ALA 2 11.738 -5.321 6.531 14 HB3 ALA 2 3HB ALA 2 13.178 -6.326 6.700 15 H HIS 3 H HIS 3 15.871 -4.632 7.950 16 HA HIS 3 HA HIS 3 16.851 -5.067 5.237 17 HB2 HIS 3 2HB HIS 3 17.090 -2.650 5.588 18 HB3 HIS 3 3HB HIS 3 17.989 -2.947 7.073 19 HD1 HIS 3 HD1 HIS 3 18.446 -4.477 3.619 20 HD2 HIS 3 HD2 HIS 3 20.534 -2.272 6.454 21 HE1 HIS 3 HE1 HIS 3 20.781 -4.255 2.711 22 H GLU 4 H GLU 4 17.916 -6.923 5.338 23 HA GLU 4 HA GLU 4 19.940 -7.315 7.385 24 HB2 GLU 4 2HB GLU 4 17.463 -8.385 7.843 25 HB3 GLU 4 3HB GLU 4 18.277 -9.712 7.026 26 HG2 GLU 4 2HG GLU 4 18.497 -9.891 9.436 27 HG3 GLU 4 3HG GLU 4 20.066 -9.651 8.670 28 H GLU 5 H GLU 5 21.261 -9.287 6.941 29 HA GLU 5 HA GLU 5 21.960 -9.354 4.170 30 HB2 GLU 5 2HB GLU 5 22.980 -10.796 6.607 31 HB3 GLU 5 3HB GLU 5 23.582 -11.166 4.998 32 HG2 GLU 5 2HG GLU 5 25.128 -9.646 5.751 33 HG3 GLU 5 3HG GLU 5 24.019 -8.619 4.845 34 H ASP 6 H ASP 6 22.410 -11.564 3.128 35 HA ASP 6 HA ASP 6 21.600 -13.474 2.194 36 HB2 ASP 6 2HB ASP 6 21.753 -14.197 4.645 37 HB3 ASP 6 3HB ASP 6 20.014 -13.926 4.717 38 H GLY 7 H GLY 7 20.081 -10.867 2.171 39 HA2 GLY 7 2HA GLY 7 18.163 -10.094 1.172 40 HA3 GLY 7 3HA GLY 7 17.891 -11.738 0.613 41 H VAL 8 H VAL 8 16.783 -9.287 2.618 42 HA VAL 8 HA VAL 8 14.728 -11.040 3.697 43 HB VAL 8 HB VAL 8 16.436 -9.323 5.505 44 HG11 VAL 8 1HG1 VAL 8 13.737 -10.287 5.764 45 HG12 VAL 8 2HG1 VAL 8 14.769 -10.986 7.013 46 HG13 VAL 8 3HG1 VAL 8 14.659 -9.234 6.837 47 HG21 VAL 8 1HG2 VAL 8 16.914 -11.532 6.603 48 HG22 VAL 8 2HG2 VAL 8 16.167 -12.309 5.207 49 HG23 VAL 8 3HG2 VAL 8 17.617 -11.327 4.998 50 H CYS 9 H CYS 9 13.202 -9.948 2.503 51 HA CYS 9 HA CYS 9 12.321 -7.431 3.592 52 HB2 CYS 9 2HB CYS 9 12.288 -6.257 1.408 53 HB3 CYS 9 3HB CYS 9 13.921 -6.605 1.964 54 HG CYS 9 HG CYS 9 12.538 -7.363 -0.886 55 H ASN 10 H ASN 10 10.348 -6.649 2.153 56 HA ASN 10 HA ASN 10 8.440 -8.749 2.270 57 HB2 ASN 10 2HB ASN 10 8.413 -5.863 1.557 58 HB3 ASN 10 3HB ASN 10 7.087 -6.848 0.946 59 HD21 ASN 10 1HD2 ASN 10 6.626 -4.806 2.698 60 HD22 ASN 10 2HD2 ASN 10 6.133 -5.447 4.225 61 H SER 11 H SER 11 9.655 -6.830 -0.481 62 HA SER 11 HA SER 11 8.776 -8.994 -2.271 63 HB2 SER 11 2HB SER 11 7.782 -6.770 -2.714 64 HB3 SER 11 3HB SER 11 9.400 -6.109 -2.951 65 HG SER 11 HG SER 11 9.020 -6.663 -4.953 66 H ASN 12 H ASN 12 10.722 -6.978 -3.974 67 HA ASN 12 HA ASN 12 13.229 -8.308 -3.273 68 HB2 ASN 12 2HB ASN 12 12.107 -9.681 -5.035 69 HB3 ASN 12 3HB ASN 12 12.153 -8.280 -6.101 70 HD21 ASN 12 1HD2 ASN 12 14.161 -10.509 -4.262 71 HD22 ASN 12 2HD2 ASN 12 15.554 -10.378 -5.276 72 H ALA 13 H ALA 13 12.668 -5.715 -2.700 73 HA ALA 13 HA ALA 13 14.785 -4.320 -3.873 74 HB1 ALA 13 1HB ALA 13 12.980 -2.562 -4.903 75 HB2 ALA 13 2HB ALA 13 13.875 -3.756 -5.843 76 HB3 ALA 13 3HB ALA 13 12.236 -4.111 -5.300 77 HA PRO 14 HA PRO 14 12.178 -1.210 -1.265 78 HB2 PRO 14 2HB PRO 14 9.696 -1.986 -0.489 79 HB3 PRO 14 3HB PRO 14 10.007 -1.145 -2.012 80 HG2 PRO 14 2HG PRO 14 9.609 -4.069 -1.509 81 HG3 PRO 14 3HG PRO 14 8.956 -3.059 -2.812 82 HD2 PRO 14 2HD PRO 14 11.097 -4.680 -3.158 83 HD3 PRO 14 3HD PRO 14 10.913 -3.143 -4.027 84 H CYS 15 H CYS 15 13.543 -1.578 0.431 85 HA CYS 15 HA CYS 15 13.431 -3.881 2.090 86 HB2 CYS 15 2HB CYS 15 14.918 -1.313 2.079 87 HB3 CYS 15 3HB CYS 15 14.776 -2.133 3.629 88 HG CYS 15 HG CYS 15 16.199 -3.401 0.788 89 H TYR 16 H TYR 16 11.223 -4.001 2.708 90 HA TYR 16 HA TYR 16 10.654 -2.502 5.122 91 HB2 TYR 16 2HB TYR 16 8.809 -2.392 2.727 92 HB3 TYR 16 3HB TYR 16 8.386 -1.840 4.344 93 HD1 TYR 16 HD1 TYR 16 9.825 -0.932 1.220 94 HD2 TYR 16 HD2 TYR 16 9.862 0.011 5.368 95 HE1 TYR 16 HE1 TYR 16 10.766 1.281 0.702 96 HE2 TYR 16 HE2 TYR 16 10.802 2.227 4.862 97 HH TYR 16 HH TYR 16 10.676 3.698 2.127 98 H HIS 17 H HIS 17 9.207 -3.533 6.493 99 HA HIS 17 HA HIS 17 8.428 -6.249 5.657 100 HB2 HIS 17 2HB HIS 17 10.077 -5.578 7.725 101 HB3 HIS 17 3HB HIS 17 8.521 -5.672 8.545 102 HD1 HIS 17 HD1 HIS 17 7.504 -7.980 8.879 103 HD2 HIS 17 HD2 HIS 17 10.991 -8.031 6.621 104 HE1 HIS 17 HE1 HIS 17 8.142 -10.404 8.683 105 H CYS 18 H CYS 18 6.727 -6.898 7.708 106 HA CYS 18 HA CYS 18 4.435 -5.180 7.099 107 HB2 CYS 18 2HB CYS 18 3.518 -7.410 8.508 108 HB3 CYS 18 3HB CYS 18 3.435 -7.156 6.769 109 HG CYS 18 HG CYS 18 5.893 -8.838 8.454 110 H ASP 19 H ASP 19 2.764 -5.828 9.197 111 HA ASP 19 HA ASP 19 3.562 -3.977 11.165 112 HB2 ASP 19 2HB ASP 19 1.380 -6.072 11.233 113 HB3 ASP 19 3HB ASP 19 1.560 -4.774 12.411 114 H ALA 20 H ALA 20 2.280 -6.535 12.867 115 HA ALA 20 HA ALA 20 4.150 -6.782 14.791 116 HB1 ALA 20 1HB ALA 20 2.275 -8.806 13.638 117 HB2 ALA 20 2HB ALA 20 3.383 -9.256 14.935 118 HB3 ALA 20 3HB ALA 20 2.204 -7.969 15.189 119 H ASN 21 H ASN 21 4.023 -9.029 12.016 120 HA ASN 21 HA ASN 21 6.334 -10.425 12.465 121 HB2 ASN 21 2HB ASN 21 6.235 -9.962 9.667 122 HB3 ASN 21 3HB ASN 21 5.658 -11.370 10.555 123 HD21 ASN 21 1HD2 ASN 21 4.482 -8.039 10.591 124 HD22 ASN 21 2HD2 ASN 21 2.891 -8.409 10.028 125 H GLY 22 H GLY 22 5.990 -7.249 10.959 126 HA2 GLY 22 2HA GLY 22 8.618 -6.932 10.044 127 HA3 GLY 22 3HA GLY 22 7.532 -5.620 10.477 128 H GLU 23 H GLU 23 7.185 -6.037 13.172 129 HA GLU 23 HA GLU 23 9.735 -5.119 14.177 130 HB2 GLU 23 2HB GLU 23 7.077 -4.604 14.814 131 HB3 GLU 23 3HB GLU 23 7.671 -5.531 16.185 132 HG2 GLU 23 2HG GLU 23 7.890 -3.088 16.466 133 HG3 GLU 23 3HG GLU 23 9.422 -3.953 16.579 134 H ASN 24 H ASN 24 8.129 -8.083 13.930 135 HA ASN 24 HA ASN 24 9.281 -9.274 16.300 136 HB2 ASN 24 2HB ASN 24 7.718 -10.849 15.988 137 HB3 ASN 24 3HB ASN 24 7.124 -9.890 14.636 138 HD21 ASN 24 1HD2 ASN 24 7.927 -12.888 15.469 139 HD22 ASN 24 2HD2 ASN 24 8.473 -13.509 13.952 140 H CYS 25 H CYS 25 10.060 -8.940 12.936 141 HA CYS 25 HA CYS 25 12.285 -10.839 13.223 142 HB2 CYS 25 2HB CYS 25 10.532 -10.914 11.278 143 HB3 CYS 25 3HB CYS 25 11.493 -9.601 10.610 144 HG CYS 25 HG CYS 25 11.969 -12.501 9.806 145 H SER 26 H SER 26 11.484 -7.519 12.377 146 HA SER 26 HA SER 26 14.270 -6.774 12.862 147 HB2 SER 26 2HB SER 26 14.568 -5.621 10.849 148 HB3 SER 26 3HB SER 26 13.721 -7.080 10.337 149 HG SER 26 HG SER 26 11.796 -5.886 10.307 150 H CYS 27 H CYS 27 14.540 -4.766 13.764 151 HA CYS 27 HA CYS 27 12.256 -3.614 15.030 152 HB2 CYS 27 2HB CYS 27 14.994 -2.361 14.886 153 HB3 CYS 27 3HB CYS 27 13.782 -2.185 16.149 154 HG CYS 27 HG CYS 27 16.280 -4.262 16.014 155 H ASN 28 H ASN 28 12.216 -3.555 12.120 156 HA ASN 28 HA ASN 28 11.340 -0.861 11.773 157 HB2 ASN 28 2HB ASN 28 12.997 -0.738 9.660 158 HB3 ASN 28 3HB ASN 28 13.408 -0.068 11.236 159 HD21 ASN 28 1HD2 ASN 28 15.270 -0.663 12.071 160 HD22 ASN 28 2HD2 ASN 28 16.176 -2.068 11.635 161 H CYS 29 H CYS 29 9.517 -1.180 10.694 162 HA CYS 29 HA CYS 29 9.563 -2.787 8.257 163 HB2 CYS 29 2HB CYS 29 7.417 -3.894 8.917 164 HB3 CYS 29 3HB CYS 29 8.803 -4.390 9.879 165 HG CYS 29 HG CYS 29 7.818 -2.087 11.699 166 H GLU 30 H GLU 30 7.591 -2.464 6.936 167 HA GLU 30 HA GLU 30 5.996 -0.120 7.542 168 HB2 GLU 30 2HB GLU 30 8.181 0.621 6.411 169 HB3 GLU 30 3HB GLU 30 7.542 -0.138 4.960 170 HG2 GLU 30 2HG GLU 30 5.686 1.699 6.279 171 HG3 GLU 30 3HG GLU 30 7.157 2.454 5.667 172 H LEU 31 H LEU 31 4.628 -2.168 7.543 173 HA LEU 31 HA LEU 31 2.906 -2.152 5.355 174 HB2 LEU 31 2HB LEU 31 5.152 -3.479 4.644 175 HB3 LEU 31 3HB LEU 31 4.190 -4.802 5.300 176 HG LEU 31 HG LEU 31 2.529 -3.321 3.541 177 HD11 LEU 31 1HD1 LEU 31 5.026 -2.768 2.752 178 HD12 LEU 31 2HD1 LEU 31 3.682 -2.975 1.630 179 HD13 LEU 31 3HD1 LEU 31 4.795 -4.309 1.927 180 HD21 LEU 31 1HD2 LEU 31 2.031 -5.386 2.750 181 HD22 LEU 31 2HD2 LEU 31 2.845 -5.878 4.235 182 HD23 LEU 31 3HD2 LEU 31 3.718 -5.899 2.702 183 H PHE 32 H PHE 32 1.590 -4.409 5.364 184 HA PHE 32 HA PHE 32 1.236 -5.219 8.167 185 HB2 PHE 32 2HB PHE 32 -1.256 -5.230 7.711 186 HB3 PHE 32 3HB PHE 32 -0.511 -3.639 7.821 187 HD1 PHE 32 HD1 PHE 32 -0.175 -2.283 5.809 188 HD2 PHE 32 HD2 PHE 32 -2.207 -6.021 5.671 189 HE1 PHE 32 HE1 PHE 32 -1.090 -1.701 3.600 190 HE2 PHE 32 HE2 PHE 32 -3.124 -5.445 3.461 191 HZ PHE 32 HZ PHE 32 -2.565 -3.283 2.423 192 H ASP 33 H ASP 33 0.847 -7.346 8.498 193 HA ASP 33 HA ASP 33 0.497 -9.038 6.110 194 HB2 ASP 33 2HB ASP 33 2.581 -9.064 8.098 195 HB3 ASP 33 3HB ASP 33 1.704 -10.591 8.128 196 H CYS 34 H CYS 34 -0.383 -11.246 6.670 197 HA CYS 34 HA CYS 34 -2.309 -11.086 8.890 198 HB2 CYS 34 2HB CYS 34 -3.030 -10.871 6.256 199 HB3 CYS 34 3HB CYS 34 -3.212 -12.599 6.537 200 H GLU 35 H GLU 35 -3.445 -13.676 8.048 201 HA GLU 35 HA GLU 35 -2.257 -15.435 9.698 202 HB2 GLU 35 2HB GLU 35 -3.040 -17.266 8.125 203 HB3 GLU 35 3HB GLU 35 -4.259 -16.105 8.631 204 HG2 GLU 35 2HG GLU 35 -2.837 -15.463 6.136 205 HG3 GLU 35 3HG GLU 35 -3.886 -16.878 6.088 206 H ALA 36 H ALA 36 -0.788 -17.224 9.441 207 HA ALA 36 HA ALA 36 1.713 -16.544 8.484 208 HB1 ALA 36 1HB ALA 36 1.072 -18.406 10.099 209 HB2 ALA 36 2HB ALA 36 0.787 -19.396 8.667 210 HB3 ALA 36 3HB ALA 36 2.393 -18.736 8.977 211 H LYS 37 H LYS 37 2.980 -17.431 6.731 212 HA LYS 37 HA LYS 37 1.644 -18.665 4.501 213 HB2 LYS 37 2HB LYS 37 1.695 -15.842 4.625 214 HB3 LYS 37 3HB LYS 37 2.889 -16.309 3.422 215 HG2 LYS 37 2HG LYS 37 1.037 -17.798 2.454 216 HG3 LYS 37 3HG LYS 37 -0.059 -16.831 3.444 217 HD2 LYS 37 2HD LYS 37 1.874 -15.706 1.418 218 HD3 LYS 37 3HD LYS 37 0.160 -16.000 1.116 219 HE2 LYS 37 2HE LYS 37 -0.422 -14.442 2.907 220 HE3 LYS 37 3HE LYS 37 1.289 -14.160 3.225 221 HZ1 LYS 37 1HZ LYS 37 0.630 -13.740 0.481 222 HZ2 LYS 37 2HZ LYS 37 1.396 -12.700 1.573 223 HZ3 LYS 37 3HZ LYS 37 -0.293 -12.751 1.497 224 H LYS 38 H LYS 38 3.092 -19.385 2.875 225 HA LYS 38 HA LYS 38 5.939 -19.198 3.615 226 HB2 LYS 38 2HB LYS 38 5.106 -21.406 4.193 227 HB3 LYS 38 3HB LYS 38 4.435 -21.607 2.579 228 HG2 LYS 38 2HG LYS 38 7.343 -21.068 2.811 229 HG3 LYS 38 3HG LYS 38 6.752 -22.664 3.280 230 HD2 LYS 38 2HD LYS 38 5.483 -22.013 0.850 231 HD3 LYS 38 3HD LYS 38 7.187 -21.594 0.658 232 HE2 LYS 38 2HE LYS 38 7.782 -23.857 1.482 233 HE3 LYS 38 3HE LYS 38 6.065 -24.257 1.522 234 HZ1 LYS 38 1HZ LYS 38 7.688 -23.578 -0.867 235 HZ2 LYS 38 2HZ LYS 38 6.005 -23.739 -0.890 236 HZ3 LYS 38 3HZ LYS 38 6.976 -25.069 -0.505 237 HA PRO 39 HA PRO 39 5.976 -17.551 -0.570 238 HB2 PRO 39 2HB PRO 39 8.529 -16.638 -0.430 239 HB3 PRO 39 3HB PRO 39 7.159 -15.770 0.272 240 HG2 PRO 39 2HG PRO 39 9.154 -17.558 1.608 241 HG3 PRO 39 3HG PRO 39 8.500 -16.005 2.158 242 HD2 PRO 39 2HD PRO 39 7.602 -18.379 3.100 243 HD3 PRO 39 3HD PRO 39 6.551 -16.958 2.936 244 H ASP 40 H ASP 40 8.591 -19.476 0.874 245 HA ASP 40 HA ASP 40 8.579 -21.439 -1.122 246 HB2 ASP 40 2HB ASP 40 10.862 -20.856 -2.126 247 HB3 ASP 40 3HB ASP 40 9.479 -19.923 -2.689 248 H GLY 41 H GLY 41 8.760 -21.183 1.732 249 HA2 GLY 41 2HA GLY 41 10.998 -22.978 2.162 250 HA3 GLY 41 3HA GLY 41 11.105 -21.446 3.017 251 H SER 42 H SER 42 9.107 -20.876 4.321 252 HA SER 42 HA SER 42 7.629 -23.175 5.315 253 HB2 SER 42 2HB SER 42 9.727 -21.726 6.873 254 HB3 SER 42 3HB SER 42 8.279 -22.268 7.721 255 HG SER 42 HG SER 42 10.400 -23.705 6.888 256 H TYR 43 H TYR 43 5.913 -22.541 6.841 257 HA TYR 43 HA TYR 43 4.781 -19.978 6.041 258 HB2 TYR 43 2HB TYR 43 3.465 -22.113 7.720 259 HB3 TYR 43 3HB TYR 43 2.685 -20.813 6.826 260 HD1 TYR 43 HD1 TYR 43 2.036 -21.114 4.583 261 HD2 TYR 43 HD2 TYR 43 4.615 -23.955 6.420 262 HE1 TYR 43 HE1 TYR 43 1.764 -22.605 2.646 263 HE2 TYR 43 HE2 TYR 43 4.351 -25.453 4.488 264 HH TYR 43 HH TYR 43 2.807 -24.432 1.567 265 H ALA 44 H ALA 44 4.566 -18.264 7.346 266 HA ALA 44 HA ALA 44 4.245 -18.278 10.108 267 HB1 ALA 44 1HB ALA 44 6.768 -19.086 9.620 268 HB2 ALA 44 2HB ALA 44 7.010 -17.341 9.716 269 HB3 ALA 44 3HB ALA 44 6.283 -18.206 11.070 270 H HIS 45 H HIS 45 2.906 -16.566 9.889 271 HA HIS 45 HA HIS 45 4.098 -13.972 9.497 272 HB2 HIS 45 2HB HIS 45 2.343 -15.217 7.440 273 HB3 HIS 45 3HB HIS 45 2.094 -13.510 7.794 274 HD1 HIS 45 HD1 HIS 45 5.198 -12.920 8.262 275 HD2 HIS 45 HD2 HIS 45 3.497 -14.779 4.958 276 HE1 HIS 45 HE1 HIS 45 6.837 -12.586 6.384 277 HA PRO 46 HA PRO 46 0.910 -13.693 12.673 278 HB2 PRO 46 2HB PRO 46 1.887 -11.406 13.762 279 HB3 PRO 46 3HB PRO 46 2.562 -13.002 14.113 280 HG2 PRO 46 2HG PRO 46 3.534 -10.913 12.202 281 HG3 PRO 46 3HG PRO 46 4.465 -11.921 13.325 282 HD2 PRO 46 2HD PRO 46 4.278 -12.476 10.681 283 HD3 PRO 46 3HD PRO 46 4.431 -13.744 11.914 284 H CYS 47 H CYS 47 -1.042 -12.863 12.313 285 HA CYS 47 HA CYS 47 -1.329 -10.599 10.497 286 HB2 CYS 47 2HB CYS 47 -2.706 -12.604 10.115 287 HB3 CYS 47 3HB CYS 47 -3.425 -12.413 11.711 288 H ARG 48 H ARG 48 -2.096 -8.630 11.065 289 HA ARG 48 HA ARG 48 -1.727 -7.473 13.450 290 HB2 ARG 48 2HB ARG 48 -3.627 -5.895 12.872 291 HB3 ARG 48 3HB ARG 48 -2.384 -6.092 11.643 292 HG2 ARG 48 2HG ARG 48 -4.694 -7.908 11.435 293 HG3 ARG 48 3HG ARG 48 -5.018 -6.198 11.139 294 HD2 ARG 48 2HD ARG 48 -2.648 -6.748 9.769 295 HD3 ARG 48 3HD ARG 48 -3.690 -8.137 9.465 296 HE ARG 48 HE ARG 48 -4.950 -6.812 8.108 297 HH11 ARG 48 1HH1 ARG 48 -3.173 -4.773 10.302 298 HH12 ARG 48 2HH1 ARG 48 -3.707 -3.297 9.568 299 HH21 ARG 48 1HH2 ARG 48 -5.659 -4.875 7.134 300 HH22 ARG 48 2HH2 ARG 48 -5.121 -3.356 7.767 301 H ARG 49 H ARG 49 -2.223 -9.310 14.912 302 HA ARG 49 HA ARG 49 -4.378 -8.793 16.560 303 HB2 ARG 49 2HB ARG 49 -5.789 -10.846 16.081 304 HB3 ARG 49 3HB ARG 49 -5.920 -9.530 14.921 305 HG2 ARG 49 2HG ARG 49 -4.624 -10.680 13.321 306 HG3 ARG 49 3HG ARG 49 -4.095 -11.878 14.505 307 HD2 ARG 49 2HD ARG 49 -6.954 -11.502 13.628 308 HD3 ARG 49 3HD ARG 49 -5.853 -12.690 12.931 309 HE ARG 49 HE ARG 49 -7.180 -12.836 15.483 310 HH11 ARG 49 1HH1 ARG 49 -4.501 -13.955 13.562 311 HH12 ARG 49 2HH1 ARG 49 -4.294 -15.418 14.467 312 HH21 ARG 49 1HH2 ARG 49 -6.917 -14.758 16.683 313 HH22 ARG 49 2HH2 ARG 49 -5.669 -15.873 16.242 314 H CYS 50 H CYS 50 -3.991 -9.733 18.475 315 HA CYS 50 HA CYS 50 -1.842 -10.868 19.387 316 HB2 CYS 50 2HB CYS 50 -3.408 -12.531 20.741 317 HB3 CYS 50 3HB CYS 50 -3.434 -10.796 21.037 318 HG CYS 50 HG CYS 50 -5.944 -10.519 20.623 319 H ASP 51 H ASP 51 -0.568 -12.060 18.035 320 HA ASP 51 HA ASP 51 -0.722 -14.817 18.053 321 HB2 ASP 51 2HB ASP 51 -2.064 -15.453 16.380 322 HB3 ASP 51 3HB ASP 51 -2.573 -13.775 16.217 323 H ALA 52 H ALA 52 1.142 -15.726 17.283 324 HA ALA 52 HA ALA 52 2.942 -13.988 15.732 325 HB1 ALA 52 1HB ALA 52 4.619 -15.522 17.312 326 HB2 ALA 52 2HB ALA 52 4.241 -13.813 17.531 327 HB3 ALA 52 3HB ALA 52 3.322 -15.039 18.405 328 H ASN 53 H ASN 53 4.263 -14.996 14.242 329 HA ASN 53 HA ASN 53 4.155 -17.908 14.026 330 HB2 ASN 53 2HB ASN 53 2.690 -16.099 12.324 331 HB3 ASN 53 3HB ASN 53 3.891 -16.976 11.381 332 HD21 ASN 53 1HD2 ASN 53 3.984 -19.400 12.115 333 HD22 ASN 53 2HD2 ASN 53 2.445 -20.185 12.160 334 H ASN 54 H ASN 54 6.259 -18.374 14.168 335 HA ASN 54 HA ASN 54 8.161 -16.771 12.595 336 HB2 ASN 54 2HB ASN 54 9.676 -18.377 14.259 337 HB3 ASN 54 3HB ASN 54 9.263 -16.690 14.553 338 HD21 ASN 54 1HD2 ASN 54 6.694 -16.732 15.255 339 HD22 ASN 54 2HD2 ASN 54 6.454 -17.672 16.685 340 H ILE 55 H ILE 55 9.992 -17.959 11.636 341 HA ILE 55 HA ILE 55 9.040 -20.453 10.435 342 HB ILE 55 HB ILE 55 11.280 -18.598 9.624 343 HG12 ILE 55 2HG1 ILE 55 8.832 -17.936 9.250 344 HG13 ILE 55 3HG1 ILE 55 9.891 -17.911 7.844 345 HG21 ILE 55 1HG2 ILE 55 11.049 -20.148 7.495 346 HG22 ILE 55 2HG2 ILE 55 12.116 -20.567 8.834 347 HG23 ILE 55 3HG2 ILE 55 10.527 -21.320 8.704 348 HD11 ILE 55 1HD1 ILE 55 7.493 -18.993 7.764 349 HD12 ILE 55 2HD1 ILE 55 8.845 -19.670 6.856 350 HD13 ILE 55 3HD1 ILE 55 8.364 -20.393 8.390 351 H CYS 56 H CYS 56 9.521 -21.976 11.995 352 HA CYS 56 HA CYS 56 12.240 -22.153 13.018 353 HB2 CYS 56 2HB CYS 56 9.613 -23.190 13.801 354 HB3 CYS 56 3HB CYS 56 10.908 -24.371 13.960 355 HG CYS 56 HG CYS 56 10.068 -22.361 16.191 356 H LYS 57 H LYS 57 13.630 -22.945 11.552 357 HA LYS 57 HA LYS 57 14.069 -24.189 9.534 358 HB2 LYS 57 2HB LYS 57 15.000 -26.367 10.502 359 HB3 LYS 57 3HB LYS 57 15.646 -24.862 11.144 360 HG2 LYS 57 2HG LYS 57 14.780 -25.206 13.198 361 HG3 LYS 57 3HG LYS 57 13.329 -25.995 12.575 362 HD2 LYS 57 2HD LYS 57 15.748 -27.535 12.077 363 HD3 LYS 57 3HD LYS 57 15.467 -27.244 13.796 364 HE2 LYS 57 2HE LYS 57 14.166 -29.075 13.624 365 HE3 LYS 57 3HE LYS 57 12.980 -27.925 13.009 366 HZ1 LYS 57 1HZ LYS 57 12.909 -29.315 11.274 367 HZ2 LYS 57 2HZ LYS 57 14.406 -30.021 11.623 368 HZ3 LYS 57 3HZ LYS 57 14.338 -28.553 10.785 369 H CYS 58 H CYS 58 12.297 -24.569 8.247 370 HA CYS 58 HA CYS 58 10.533 -25.675 7.319 371 HB2 CYS 58 2HB CYS 58 11.872 -28.132 8.460 372 HB3 CYS 58 3HB CYS 58 10.828 -28.048 7.046 373 HG CYS 58 HG CYS 58 14.043 -26.948 7.342 374 H SER 59 H SER 59 10.180 -24.752 10.054 375 HA SER 59 HA SER 59 7.943 -26.498 10.777 376 HB2 SER 59 2HB SER 59 10.234 -26.697 12.194 377 HB3 SER 59 3HB SER 59 9.459 -25.373 13.063 378 HG SER 59 HG SER 59 8.705 -27.186 14.019 379 H CYS 60 H CYS 60 6.218 -25.237 10.594 380 HA CYS 60 HA CYS 60 6.420 -22.381 11.123 381 HB2 CYS 60 2HB CYS 60 4.126 -22.283 10.201 382 HB3 CYS 60 3HB CYS 60 5.257 -23.057 9.098 383 HG CYS 60 HG CYS 60 2.716 -24.466 10.863 384 H THR 61 H THR 61 5.610 -21.377 12.864 385 HA THR 61 HA THR 61 4.028 -22.988 14.761 386 HB THR 61 HB THR 61 5.818 -22.696 16.108 387 HG1 THR 61 HG1 THR 61 5.033 -19.982 16.323 388 HG21 THR 61 1HG2 THR 61 7.495 -20.905 15.845 389 HG22 THR 61 2HG2 THR 61 6.532 -20.216 14.538 390 HG23 THR 61 3HG2 THR 61 7.252 -21.815 14.355 391 H ALA 62 H ALA 62 2.007 -22.275 14.191 392 HA ALA 62 HA ALA 62 1.511 -19.384 14.196 393 HB1 ALA 62 1HB ALA 62 -0.369 -19.754 12.908 394 HB2 ALA 62 2HB ALA 62 0.721 -21.018 12.336 395 HB3 ALA 62 3HB ALA 62 -0.563 -21.411 13.479 396 H ILE 63 H ILE 63 1.074 -18.609 16.159 397 HA ILE 63 HA ILE 63 -1.028 -19.912 17.725 398 HB ILE 63 HB ILE 63 0.630 -18.976 19.705 399 HG12 ILE 63 2HG1 ILE 63 2.340 -20.383 17.641 400 HG13 ILE 63 3HG1 ILE 63 2.452 -18.677 18.060 401 HG21 ILE 63 1HG2 ILE 63 0.767 -21.206 20.389 402 HG22 ILE 63 2HG2 ILE 63 -0.712 -21.140 19.431 403 HG23 ILE 63 3HG2 ILE 63 0.762 -21.810 18.732 404 HD11 ILE 63 1HD1 ILE 63 3.042 -21.018 19.852 405 HD12 ILE 63 2HD1 ILE 63 4.202 -19.882 19.161 406 HD13 ILE 63 3HD1 ILE 63 3.040 -19.332 20.369 407 HA PRO 64 HA PRO 64 -2.560 -15.860 18.425 408 HB2 PRO 64 2HB PRO 64 -3.498 -16.024 20.968 409 HB3 PRO 64 3HB PRO 64 -4.286 -16.819 19.600 410 HG2 PRO 64 2HG PRO 64 -2.429 -17.969 21.646 411 HG3 PRO 64 3HG PRO 64 -3.923 -18.654 20.981 412 HD2 PRO 64 2HD PRO 64 -1.468 -19.421 20.136 413 HD3 PRO 64 3HD PRO 64 -2.881 -19.390 19.062 414 H CYS 65 H CYS 65 -2.697 -14.342 20.694 415 HA CYS 65 HA CYS 65 -0.465 -12.860 20.797 416 HB2 CYS 65 2HB CYS 65 -1.100 -12.564 23.361 417 HB3 CYS 65 3HB CYS 65 -2.122 -11.928 22.078 418 HG CYS 65 HG CYS 65 -2.798 -15.065 23.123 419 H ASN 66 H ASN 66 1.502 -13.844 20.697 420 HA ASN 66 HA ASN 66 2.397 -16.065 22.054 421 HB2 ASN 66 2HB ASN 66 4.707 -14.984 21.826 422 HB3 ASN 66 3HB ASN 66 3.787 -15.218 20.343 423 HD21 ASN 66 1HD2 ASN 66 2.583 -13.358 19.534 424 HD22 ASN 66 2HD2 ASN 66 3.237 -11.777 19.776 425 H GLU 67 H GLU 67 1.936 -12.833 23.240 426 HA GLU 67 HA GLU 67 3.291 -13.488 25.756 427 HB2 GLU 67 2HB GLU 67 2.252 -10.874 24.655 428 HB3 GLU 67 3HB GLU 67 2.925 -11.055 26.269 429 HG2 GLU 67 2HG GLU 67 5.063 -11.339 25.501 430 HG3 GLU 67 3HG GLU 67 4.535 -11.949 23.934 431 H ASP 68 H ASP 68 1.118 -14.991 25.560 432 HA ASP 68 HA ASP 68 -1.318 -14.804 26.031 433 HB2 ASP 68 2HB ASP 68 0.644 -15.746 28.063 434 HB3 ASP 68 3HB ASP 68 -1.040 -15.612 28.562 435 H HIS 69 H HIS 69 -1.605 -12.428 25.846 436 HA HIS 69 HA HIS 69 -2.012 -11.244 28.512 437 HB2 HIS 69 2HB HIS 69 -1.492 -9.038 27.567 438 HB3 HIS 69 3HB HIS 69 -0.126 -10.138 27.405 439 HD1 HIS 69 HD1 HIS 69 -0.326 -11.476 24.874 440 HD2 HIS 69 HD2 HIS 69 -1.812 -7.620 25.303 441 HE1 HIS 69 HE1 HIS 69 -0.436 -10.535 22.545 442 HA PRO 70 HA PRO 70 -6.221 -11.060 27.120 443 HB2 PRO 70 2HB PRO 70 -7.187 -9.664 29.239 444 HB3 PRO 70 3HB PRO 70 -6.792 -11.385 29.322 445 HG2 PRO 70 2HG PRO 70 -5.183 -9.028 30.224 446 HG3 PRO 70 3HG PRO 70 -5.451 -10.579 31.041 447 HD2 PRO 70 2HD PRO 70 -3.182 -10.026 29.669 448 HD3 PRO 70 3HD PRO 70 -3.861 -11.664 29.773 449 H CYS 71 H CYS 71 -5.338 -9.575 25.378 450 HA CYS 71 HA CYS 71 -6.535 -6.929 25.737 451 HB2 CYS 71 2HB CYS 71 -3.693 -7.495 25.291 452 HB3 CYS 71 3HB CYS 71 -4.373 -6.358 24.133 453 HG CYS 71 HG CYS 71 -3.499 -5.872 27.277 454 H HIS 72 H HIS 72 -6.883 -5.809 23.644 455 HA HIS 72 HA HIS 72 -8.282 -7.405 21.845 456 HB2 HIS 72 2HB HIS 72 -7.135 -4.629 21.583 457 HB3 HIS 72 3HB HIS 72 -8.094 -5.373 20.306 458 HD1 HIS 72 HD1 HIS 72 -8.752 -5.429 24.046 459 HD2 HIS 72 HD2 HIS 72 -10.454 -4.044 20.518 460 HE1 HIS 72 HE1 HIS 72 -11.001 -4.514 24.699 461 H HIS 73 H HIS 73 -7.809 -7.477 19.428 462 HA HIS 73 HA HIS 73 -5.452 -8.980 19.014 463 HB2 HIS 73 2HB HIS 73 -6.241 -8.363 16.486 464 HB3 HIS 73 3HB HIS 73 -6.939 -9.661 17.450 465 HD1 HIS 73 HD1 HIS 73 -9.396 -9.564 17.751 466 HD2 HIS 73 HD2 HIS 73 -7.806 -5.858 16.755 467 HE1 HIS 73 HE1 HIS 73 -11.375 -8.039 17.463 468 H CYS 74 H CYS 74 -4.151 -7.072 20.001 469 HA CYS 74 HA CYS 74 -2.526 -6.012 17.941 470 HB2 CYS 74 2HB CYS 74 -3.337 -3.615 19.262 471 HB3 CYS 74 3HB CYS 74 -3.433 -4.008 17.550 472 HG CYS 74 HG CYS 74 -5.979 -5.036 17.628 473 H HIS 75 H HIS 75 -1.022 -4.205 18.992 474 HA HIS 75 HA HIS 75 0.665 -5.291 20.758 475 HB2 HIS 75 2HB HIS 75 1.626 -3.227 21.008 476 HB3 HIS 75 3HB HIS 75 0.566 -2.874 19.646 477 HD1 HIS 75 HD1 HIS 75 -1.029 -0.989 19.949 478 HD2 HIS 75 HD2 HIS 75 0.473 -2.371 23.568 479 HE1 HIS 75 HE1 HIS 75 -1.890 0.610 21.689 480 H GLU 76 H GLU 76 1.105 -4.826 23.080 481 HA GLU 76 HA GLU 76 -1.049 -5.690 24.679 482 HB2 GLU 76 2HB GLU 76 1.634 -5.669 24.993 483 HB3 GLU 76 3HB GLU 76 1.200 -4.310 26.020 484 HG2 GLU 76 2HG GLU 76 0.167 -7.126 26.252 485 HG3 GLU 76 3HG GLU 76 1.332 -6.342 27.317 486 H GLU 77 H GLU 77 -2.771 -4.258 24.442 487 HA GLU 77 HA GLU 77 -2.598 -1.467 24.797 488 HB2 GLU 77 2HB GLU 77 -4.639 -3.391 24.271 489 HB3 GLU 77 3HB GLU 77 -5.178 -2.365 25.593 490 HG2 GLU 77 2HG GLU 77 -5.913 -1.063 23.922 491 HG3 GLU 77 3HG GLU 77 -4.246 -0.491 23.914 492 H ASP 78 H ASP 78 -4.471 -0.730 26.631 493 HA ASP 78 HA ASP 78 -3.000 -1.043 29.100 494 HB2 ASP 78 2HB ASP 78 -3.967 1.148 28.285 495 HB3 ASP 78 3HB ASP 78 -5.560 0.501 28.667 496 H ASP 79 H ASP 79 -5.207 -2.919 27.638 497 HA ASP 79 HA ASP 79 -7.019 -3.454 29.787 498 HB2 ASP 79 2HB ASP 79 -6.826 -4.143 27.058 499 HB3 ASP 79 3HB ASP 79 -6.796 -5.661 27.952 500 H GLY 80 H GLY 80 -6.673 -4.653 31.535 501 HA2 GLY 80 2HA GLY 80 -5.735 -7.086 31.938 502 HA3 GLY 80 3HA GLY 80 -4.218 -6.234 31.690 503 H ASP 81 H ASP 81 -4.432 -7.471 34.017 504 HA ASP 81 HA ASP 81 -5.194 -5.388 35.955 505 HB2 ASP 81 2HB ASP 81 -5.955 -8.055 35.877 506 HB3 ASP 81 3HB ASP 81 -4.676 -8.024 37.087 507 H THR 82 H THR 82 -3.824 -6.361 38.157 508 HA THR 82 HA THR 82 -1.418 -5.113 38.104 509 HB THR 82 HB THR 82 -1.757 -7.682 39.644 510 HG1 THR 82 HG1 THR 82 -3.265 -5.401 39.749 511 HG21 THR 82 1HG2 THR 82 -0.405 -6.557 41.311 512 HG22 THR 82 2HG2 THR 82 -0.400 -5.078 40.350 513 HG23 THR 82 3HG2 THR 82 0.425 -6.519 39.757 514 H HIS 83 H HIS 83 -1.624 -8.672 37.924 515 HA HIS 83 HA HIS 83 0.936 -9.272 37.253 516 HB2 HIS 83 2HB HIS 83 -1.541 -10.547 36.073 517 HB3 HIS 83 3HB HIS 83 0.068 -11.264 36.080 518 HD1 HIS 83 HD1 HIS 83 0.206 -9.937 39.212 519 HD2 HIS 83 HD2 HIS 83 -2.183 -12.938 37.616 520 HE1 HIS 83 HE1 HIS 83 -0.552 -11.310 41.178 521 H CYS 84 H CYS 84 -1.630 -8.430 34.933 522 HA CYS 84 HA CYS 84 -0.204 -8.639 32.584 523 HB2 CYS 84 2HB CYS 84 -2.448 -6.823 33.422 524 HB3 CYS 84 3HB CYS 84 -1.751 -6.708 31.810 525 HG CYS 84 HG CYS 84 -2.249 -9.588 31.445 526 H HIS 85 H HIS 85 -0.319 -5.934 34.856 527 HA HIS 85 HA HIS 85 1.191 -4.123 33.308 528 HB2 HIS 85 2HB HIS 85 0.804 -4.315 36.301 529 HB3 HIS 85 3HB HIS 85 1.582 -2.959 35.491 530 HD1 HIS 85 HD1 HIS 85 -1.535 -4.644 34.206 531 HD2 HIS 85 HD2 HIS 85 -0.375 -1.094 36.026 532 HE1 HIS 85 HE1 HIS 85 -3.554 -3.149 34.110 533 H CYS 86 H CYS 86 2.092 -6.673 35.541 534 HA CYS 86 HA CYS 86 4.846 -5.940 35.711 535 HB2 CYS 86 2HB CYS 86 3.293 -8.412 36.441 536 HB3 CYS 86 3HB CYS 86 5.048 -8.367 36.565 537 HG CYS 86 HG CYS 86 5.152 -7.220 38.857 538 H SER 87 H SER 87 2.946 -7.978 33.599 539 HA SER 87 HA SER 87 5.208 -9.244 32.368 540 HB2 SER 87 2HB SER 87 2.332 -9.074 31.435 541 HB3 SER 87 3HB SER 87 3.564 -10.152 30.781 542 HG SER 87 HG SER 87 2.700 -11.432 32.246 543 H CYS 88 H CYS 88 3.437 -6.316 31.906 544 HA CYS 88 HA CYS 88 4.277 -5.885 29.192 545 HB2 CYS 88 2HB CYS 88 2.314 -4.811 30.814 546 HB3 CYS 88 3HB CYS 88 3.483 -3.502 30.689 547 HG CYS 88 HG CYS 88 2.310 -2.649 28.565 548 H GLU 89 H GLU 89 5.307 -4.793 32.388 549 HA GLU 89 HA GLU 89 7.208 -2.902 31.524 550 HB2 GLU 89 2HB GLU 89 6.230 -3.746 33.961 551 HB3 GLU 89 3HB GLU 89 7.899 -4.297 34.001 552 HG2 GLU 89 2HG GLU 89 8.751 -2.164 33.922 553 HG3 GLU 89 3HG GLU 89 7.303 -1.499 33.170 554 H HIS 90 H HIS 90 7.365 -6.373 32.000 555 HA HIS 90 HA HIS 90 10.231 -6.429 31.513 556 HB2 HIS 90 2HB HIS 90 8.258 -8.674 31.985 557 HB3 HIS 90 3HB HIS 90 10.002 -8.872 31.842 558 HD1 HIS 90 HD1 HIS 90 7.944 -6.434 33.924 559 HD2 HIS 90 HD2 HIS 90 10.886 -9.336 34.350 560 HE1 HIS 90 HE1 HIS 90 8.555 -6.419 36.363 561 H SER 91 H SER 91 7.244 -6.952 29.824 562 HA SER 91 HA SER 91 8.445 -8.351 27.610 563 HB2 SER 91 2HB SER 91 6.116 -8.796 28.179 564 HB3 SER 91 3HB SER 91 5.704 -7.101 27.925 565 HG SER 91 HG SER 91 6.222 -7.358 25.736 566 H HIS 92 H HIS 92 7.606 -5.053 28.414 567 HA HIS 92 HA HIS 92 7.909 -4.009 25.775 568 HB2 HIS 92 2HB HIS 92 7.655 -2.830 28.514 569 HB3 HIS 92 3HB HIS 92 8.194 -1.804 27.188 570 HD1 HIS 92 HD1 HIS 92 5.929 -4.129 25.740 571 HD2 HIS 92 HD2 HIS 92 5.506 -0.689 28.031 572 HE1 HIS 92 HE1 HIS 92 3.568 -3.353 25.358 573 H ASP 93 H ASP 93 10.060 -4.649 28.436 574 HA ASP 93 HA ASP 93 12.225 -3.059 27.415 575 HB2 ASP 93 2HB ASP 93 12.118 -3.425 29.793 576 HB3 ASP 93 3HB ASP 93 12.100 -5.172 29.572 577 H HIS 94 H HIS 94 10.986 -6.192 26.817 578 HA HIS 94 HA HIS 94 13.486 -7.228 25.760 579 HB2 HIS 94 2HB HIS 94 10.736 -8.349 26.168 580 HB3 HIS 94 3HB HIS 94 11.854 -9.155 25.071 581 HD1 HIS 94 HD1 HIS 94 14.447 -8.755 26.761 582 HD2 HIS 94 HD2 HIS 94 10.819 -10.136 28.241 583 HE1 HIS 94 HE1 HIS 94 15.019 -10.059 28.833 584 H HIS 95 H HIS 95 10.367 -6.075 24.586 585 HA HIS 95 HA HIS 95 11.060 -6.589 21.824 586 HB2 HIS 95 2HB HIS 95 8.870 -6.096 21.312 587 HB3 HIS 95 3HB HIS 95 8.689 -6.600 22.990 588 HD1 HIS 95 HD1 HIS 95 9.643 -3.936 24.315 589 HD2 HIS 95 HD2 HIS 95 6.878 -4.218 21.228 590 HE1 HIS 95 HE1 HIS 95 8.267 -1.836 24.452 591 H ASP 96 H ASP 96 12.985 -4.996 22.897 592 HA ASP 96 HA ASP 96 12.790 -2.287 22.913 593 HB2 ASP 96 2HB ASP 96 15.110 -2.180 22.251 594 HB3 ASP 96 3HB ASP 96 14.882 -3.592 23.279 595 H ASP 97 H ASP 97 12.280 -4.356 20.221 596 HA ASP 97 HA ASP 97 12.798 -2.522 18.128 597 HB2 ASP 97 2HB ASP 97 11.400 -4.059 16.752 598 HB3 ASP 97 3HB ASP 97 12.661 -4.890 17.658 599 H ASP 98 H ASP 98 10.815 -1.989 20.534 600 HA ASP 98 HA ASP 98 8.276 -1.480 19.561 601 HB2 ASP 98 2HB ASP 98 9.223 -1.243 21.960 602 HB3 ASP 98 3HB ASP 98 9.620 0.405 21.480 603 H THR 99 H THR 99 8.808 -0.826 17.338 604 HA THR 99 HA THR 99 10.124 1.458 16.555 605 HB THR 99 HB THR 99 8.037 1.467 14.802 606 HG1 THR 99 HG1 THR 99 6.858 -0.235 15.248 607 HG21 THR 99 1HG2 THR 99 9.485 -0.389 13.625 608 HG22 THR 99 2HG2 THR 99 10.594 -0.064 14.958 609 HG23 THR 99 3HG2 THR 99 10.125 1.237 13.863 610 H HIS 100 H HIS 100 7.248 1.226 18.379 611 HA HIS 100 HA HIS 100 6.951 4.139 18.277 612 HB2 HIS 100 2HB HIS 100 5.251 3.233 16.758 613 HB3 HIS 100 3HB HIS 100 4.652 2.184 18.040 614 HD1 HIS 100 HD1 HIS 100 4.084 3.839 20.339 615 HD2 HIS 100 HD2 HIS 100 3.614 5.351 16.498 616 HE1 HIS 100 HE1 HIS 100 2.503 5.782 20.569 617 H GLY 101 H GLY 101 7.970 4.172 20.318 618 HA2 GLY 101 2HA GLY 101 6.634 4.533 22.557 619 HA3 GLY 101 3HA GLY 101 6.628 2.776 22.512 620 H GLU 102 H GLU 102 8.789 5.589 22.477 621 HA GLU 102 HA GLU 102 10.572 4.244 24.314 622 HB2 GLU 102 2HB GLU 102 11.139 4.373 21.475 623 HB3 GLU 102 3HB GLU 102 12.367 5.220 22.406 624 HG2 GLU 102 2HG GLU 102 11.770 2.725 23.666 625 HG3 GLU 102 3HG GLU 102 12.126 2.459 21.960 626 H CYS 103 H CYS 103 12.619 5.791 24.585 627 HA CYS 103 HA CYS 103 12.132 8.580 24.213 628 HB2 CYS 103 2HB CYS 103 12.299 8.636 26.969 629 HB3 CYS 103 3HB CYS 103 10.841 8.916 26.021 630 H THR 104 H THR 104 14.195 8.718 23.431 631 HA THR 104 HA THR 104 16.327 8.499 25.430 632 HB THR 104 HB THR 104 16.838 7.576 22.616 633 HG1 THR 104 HG1 THR 104 15.602 6.191 24.718 634 HG21 THR 104 1HG2 THR 104 18.911 7.287 23.377 635 HG22 THR 104 2HG2 THR 104 18.319 6.239 24.666 636 HG23 THR 104 3HG2 THR 104 18.419 7.981 24.922 637 H LYS 105 H LYS 105 14.706 10.404 23.365 638 HA LYS 105 HA LYS 105 17.069 12.009 22.650 639 HB2 LYS 105 2HB LYS 105 14.500 11.467 21.289 640 HB3 LYS 105 3HB LYS 105 15.080 13.124 21.191 641 HG2 LYS 105 2HG LYS 105 15.788 11.760 19.280 642 HG3 LYS 105 3HG LYS 105 17.155 12.383 20.206 643 HD2 LYS 105 2HD LYS 105 16.259 9.792 21.168 644 HD3 LYS 105 3HD LYS 105 16.730 9.748 19.467 645 HE2 LYS 105 2HE LYS 105 18.894 10.645 19.985 646 HE3 LYS 105 3HE LYS 105 18.428 10.926 21.662 647 HZ1 LYS 105 1HZ LYS 105 17.997 8.224 21.051 648 HZ2 LYS 105 2HZ LYS 105 19.091 8.888 22.156 649 HZ3 LYS 105 3HZ LYS 105 19.562 8.629 20.552 650 H LYS 106 H LYS 106 16.139 14.449 22.281 651 HA LYS 106 HA LYS 106 15.677 15.412 24.915 652 HB2 LYS 106 2HB LYS 106 15.639 16.800 22.232 653 HB3 LYS 106 3HB LYS 106 15.475 17.641 23.768 654 HG2 LYS 106 2HG LYS 106 17.845 15.955 22.992 655 HG3 LYS 106 3HG LYS 106 17.762 17.711 22.835 656 HD2 LYS 106 2HD LYS 106 18.297 17.980 24.979 657 HD3 LYS 106 3HD LYS 106 16.986 16.912 25.486 658 HE2 LYS 106 2HE LYS 106 19.280 15.513 24.329 659 HE3 LYS 106 3HE LYS 106 19.660 16.411 25.798 660 HZ1 LYS 106 1HZ LYS 106 17.745 15.270 26.856 661 HZ2 LYS 106 2HZ LYS 106 18.998 14.225 26.410 662 HZ3 LYS 106 3HZ LYS 106 17.593 14.308 25.472 663 H ALA 107 H ALA 107 13.591 13.718 23.397 664 HA ALA 107 HA ALA 107 11.294 15.528 23.704 665 HB1 ALA 107 1HB ALA 107 10.504 14.613 21.846 666 HB2 ALA 107 2HB ALA 107 11.946 13.603 21.738 667 HB3 ALA 107 3HB ALA 107 10.524 13.019 22.602 668 HA PRO 108 HA PRO 108 9.552 13.367 27.107 669 HB2 PRO 108 2HB PRO 108 7.012 12.765 26.362 670 HB3 PRO 108 3HB PRO 108 7.544 14.413 26.719 671 HG2 PRO 108 2HG PRO 108 7.205 13.065 24.068 672 HG3 PRO 108 3HG PRO 108 6.742 14.705 24.556 673 HD2 PRO 108 2HD PRO 108 8.986 14.188 23.132 674 HD3 PRO 108 3HD PRO 108 8.882 15.521 24.300 675 H CYS 109 H CYS 109 7.570 11.359 27.176 676 HA CYS 109 HA CYS 109 8.976 9.077 25.950 677 HB2 CYS 109 2HB CYS 109 9.045 9.508 28.572 678 HB3 CYS 109 3HB CYS 109 7.475 8.715 28.502 679 H TRP 110 H TRP 110 7.773 7.759 24.742 680 HA TRP 110 HA TRP 110 4.856 7.772 25.107 681 HB2 TRP 110 2HB TRP 110 4.407 8.117 22.851 682 HB3 TRP 110 3HB TRP 110 5.773 9.194 23.125 683 HD1 TRP 110 HD1 TRP 110 4.768 6.056 21.236 684 HE1 TRP 110 HE1 TRP 110 6.651 5.422 19.600 685 HE3 TRP 110 HE3 TRP 110 8.360 9.329 22.824 686 HZ2 TRP 110 HZ2 TRP 110 9.307 6.205 19.055 687 HZ3 TRP 110 HZ3 TRP 110 10.544 9.323 21.692 688 HH2 TRP 110 HH2 TRP 110 11.007 7.792 19.847 689 H ARG 111 H ARG 111 3.779 5.884 24.167 690 HA ARG 111 HA ARG 111 5.262 3.630 23.279 691 HB2 ARG 111 2HB ARG 111 4.975 2.174 25.204 692 HB3 ARG 111 3HB ARG 111 5.917 3.588 25.655 693 HG2 ARG 111 2HG ARG 111 3.180 4.167 26.130 694 HG3 ARG 111 3HG ARG 111 3.548 2.592 26.837 695 HD2 ARG 111 2HD ARG 111 5.526 3.631 27.942 696 HD3 ARG 111 3HD ARG 111 4.979 5.196 27.344 697 HE ARG 111 HE ARG 111 2.927 3.871 28.795 698 HH11 ARG 111 1HH1 ARG 111 5.876 5.680 29.183 699 HH12 ARG 111 2HH1 ARG 111 5.455 6.281 30.752 700 HH21 ARG 111 1HH2 ARG 111 2.361 4.656 30.861 701 HH22 ARG 111 2HH2 ARG 111 3.455 5.697 31.706 702 H CYS 112 H CYS 112 3.939 1.978 22.533 703 HA CYS 112 HA CYS 112 1.390 2.627 21.685 704 HB2 CYS 112 2HB CYS 112 1.107 0.199 21.226 705 HB3 CYS 112 3HB CYS 112 2.639 0.838 20.643 706 HG CYS 112 HG CYS 112 2.804 -1.825 21.765 707 H GLU 113 H GLU 113 -0.201 3.221 23.025 708 HA GLU 113 HA GLU 113 -1.102 1.279 25.015 709 HB2 GLU 113 2HB GLU 113 -0.318 4.121 25.569 710 HB3 GLU 113 3HB GLU 113 -1.568 3.347 26.531 711 HG2 GLU 113 2HG GLU 113 0.205 1.468 26.830 712 HG3 GLU 113 3HG GLU 113 1.343 2.730 26.362 713 H TYR 114 H TYR 114 -3.314 1.396 25.506 714 HA TYR 114 HA TYR 114 -5.060 3.404 24.596 715 HB2 TYR 114 2HB TYR 114 -4.176 1.893 22.486 716 HB3 TYR 114 3HB TYR 114 -5.661 1.058 22.931 717 HD1 TYR 114 HD1 TYR 114 -7.413 1.653 21.563 718 HD2 TYR 114 HD2 TYR 114 -4.638 4.655 22.743 719 HE1 TYR 114 HE1 TYR 114 -8.728 3.338 20.346 720 HE2 TYR 114 HE2 TYR 114 -5.947 6.349 21.532 721 HH TYR 114 HH TYR 114 -8.591 5.478 19.440 722 H ASN 115 H ASN 115 -7.274 2.939 25.050 723 HA ASN 115 HA ASN 115 -7.570 0.842 27.057 724 HB2 ASN 115 2HB ASN 115 -9.564 2.989 26.320 725 HB3 ASN 115 3HB ASN 115 -9.534 2.012 27.785 726 HD21 ASN 115 1HD2 ASN 115 -7.036 2.145 28.664 727 HD22 ASN 115 2HD2 ASN 115 -6.573 3.775 29.004 728 H ALA 116 H ALA 116 -9.847 -0.178 27.116 729 HA ALA 116 HA ALA 116 -10.146 -1.853 24.913 730 HB1 ALA 116 1HB ALA 116 -11.716 -1.265 27.343 731 HB2 ALA 116 2HB ALA 116 -12.585 -2.040 26.017 732 HB3 ALA 116 3HB ALA 116 -11.151 -2.806 26.699 733 H ASP 117 H ASP 117 -10.543 -1.104 22.921 734 HA ASP 117 HA ASP 117 -13.022 0.390 22.498 735 HB2 ASP 117 2HB ASP 117 -10.862 1.874 22.551 736 HB3 ASP 117 3HB ASP 117 -10.590 1.202 20.945 737 H LEU 118 H LEU 118 -13.471 0.534 20.048 738 HA LEU 118 HA LEU 118 -13.352 -2.154 19.023 739 HB2 LEU 118 2HB LEU 118 -14.933 0.213 18.588 740 HB3 LEU 118 3HB LEU 118 -14.402 -0.467 17.051 741 HG LEU 118 HG LEU 118 -15.321 -2.699 18.204 742 HD11 LEU 118 1HD1 LEU 118 -16.032 -0.901 20.110 743 HD12 LEU 118 2HD1 LEU 118 -16.849 -2.437 19.823 744 HD13 LEU 118 3HD1 LEU 118 -17.491 -0.953 19.120 745 HD21 LEU 118 1HD2 LEU 118 -16.027 -1.150 16.103 746 HD22 LEU 118 2HD2 LEU 118 -17.478 -1.031 17.098 747 HD23 LEU 118 3HD2 LEU 118 -16.885 -2.613 16.588 748 H LYS 119 H LYS 119 -13.015 -2.248 16.487 749 HA LYS 119 HA LYS 119 -10.378 -2.211 15.902 750 HB2 LYS 119 2HB LYS 119 -11.102 -1.864 13.462 751 HB3 LYS 119 3HB LYS 119 -11.766 -3.245 14.324 752 HG2 LYS 119 2HG LYS 119 -13.411 -0.860 14.579 753 HG3 LYS 119 3HG LYS 119 -13.197 -1.380 12.906 754 HD2 LYS 119 2HD LYS 119 -14.081 -3.184 15.156 755 HD3 LYS 119 3HD LYS 119 -15.177 -2.388 14.024 756 HE2 LYS 119 2HE LYS 119 -14.946 -4.194 12.736 757 HE3 LYS 119 3HE LYS 119 -13.320 -3.609 12.384 758 HZ1 LYS 119 1HZ LYS 119 -12.887 -4.872 14.674 759 HZ2 LYS 119 2HZ LYS 119 -12.766 -5.631 13.167 760 HZ3 LYS 119 3HZ LYS 119 -14.173 -5.803 14.090 761 H HIS 120 H HIS 120 -8.958 -0.620 16.183 762 HA HIS 120 HA HIS 120 -9.409 1.916 14.815 763 HB2 HIS 120 2HB HIS 120 -9.850 1.724 17.542 764 HB3 HIS 120 3HB HIS 120 -8.204 2.343 17.439 765 HD1 HIS 120 HD1 HIS 120 -11.469 3.164 15.643 766 HD2 HIS 120 HD2 HIS 120 -8.252 5.033 17.492 767 HE1 HIS 120 HE1 HIS 120 -11.928 5.630 15.460 768 H ASP 121 H ASP 121 -7.193 3.279 15.761 769 HA ASP 121 HA ASP 121 -5.066 1.774 14.467 770 HB2 ASP 121 2HB ASP 121 -5.682 4.264 14.043 771 HB3 ASP 121 3HB ASP 121 -4.777 4.571 15.523 772 H VAL 122 H VAL 122 -3.324 0.941 15.461 773 HA VAL 122 HA VAL 122 -2.932 1.562 18.314 774 HB VAL 122 HB VAL 122 -2.016 -0.917 18.326 775 HG11 VAL 122 1HG1 VAL 122 -4.968 -0.311 18.434 776 HG12 VAL 122 2HG1 VAL 122 -4.137 -1.651 19.226 777 HG13 VAL 122 3HG1 VAL 122 -3.820 0.009 19.733 778 HG21 VAL 122 1HG2 VAL 122 -4.297 -1.445 16.517 779 HG22 VAL 122 2HG2 VAL 122 -2.795 -0.905 15.768 780 HG23 VAL 122 3HG2 VAL 122 -2.809 -2.360 16.765 781 H CYS 123 H CYS 123 -0.750 1.175 19.106 782 HA CYS 123 HA CYS 123 1.258 1.531 16.980 783 HB2 CYS 123 2HB CYS 123 2.147 2.363 19.612 784 HB3 CYS 123 3HB CYS 123 2.107 3.273 18.106 785 HG CYS 123 HG CYS 123 -0.941 3.299 18.832 786 H GLY 124 H GLY 124 3.558 1.184 18.419 787 HA2 GLY 124 2HA GLY 124 4.921 -0.380 19.443 788 HA3 GLY 124 3HA GLY 124 3.479 -1.239 19.963 789 H CYS 125 H CYS 125 2.845 -3.026 18.880 790 HA CYS 125 HA CYS 125 4.641 -4.015 16.824 791 HB2 CYS 125 2HB CYS 125 3.679 -6.151 17.201 792 HB3 CYS 125 3HB CYS 125 3.820 -5.404 18.788 793 HG CYS 125 HG CYS 125 1.446 -6.650 18.991 794 H GLU 126 H GLU 126 1.923 -2.160 16.839 795 HA GLU 126 HA GLU 126 1.058 -3.177 14.211 796 HB2 GLU 126 2HB GLU 126 -0.490 -2.885 16.485 797 HB3 GLU 126 3HB GLU 126 -0.845 -1.427 15.569 798 HG2 GLU 126 2HG GLU 126 -2.400 -3.288 15.113 799 HG3 GLU 126 3HG GLU 126 -1.555 -2.709 13.679 800 H CYS 127 H CYS 127 3.220 -1.336 14.673 801 HA CYS 127 HA CYS 127 2.095 1.112 13.479 802 HB2 CYS 127 2HB CYS 127 3.632 0.887 15.781 803 HB3 CYS 127 3HB CYS 127 4.789 1.389 14.554 804 HG CYS 127 HG CYS 127 2.731 3.481 13.816 805 H SER 128 H SER 128 3.005 1.921 11.631 806 HA SER 128 HA SER 128 4.888 0.132 10.263 807 HB2 SER 128 2HB SER 128 2.497 1.155 9.396 808 HB3 SER 128 3HB SER 128 3.650 2.285 8.686 809 HG SER 128 HG SER 128 4.319 -0.385 8.460 810 H LYS 129 H LYS 129 6.061 1.603 8.418 811 HA LYS 129 HA LYS 129 7.424 3.758 9.898 812 HB2 LYS 129 2HB LYS 129 8.811 1.715 9.562 813 HB3 LYS 129 3HB LYS 129 8.641 1.924 7.825 814 HG2 LYS 129 2HG LYS 129 9.571 4.366 8.980 815 HG3 LYS 129 3HG LYS 129 10.586 3.029 9.526 816 HD2 LYS 129 2HD LYS 129 11.391 2.614 7.444 817 HD3 LYS 129 3HD LYS 129 9.881 3.069 6.653 818 HE2 LYS 129 2HE LYS 129 10.514 5.470 7.439 819 HE3 LYS 129 3HE LYS 129 12.139 4.800 7.575 820 HZ1 LYS 129 1HZ LYS 129 10.764 4.218 5.093 821 HZ2 LYS 129 2HZ LYS 129 12.368 4.684 5.360 822 HZ3 LYS 129 3HZ LYS 129 11.142 5.849 5.335 823 H LEU 130 H LEU 130 5.328 4.643 8.611 824 HA LEU 130 HA LEU 130 6.102 5.438 5.907 825 HB2 LEU 130 2HB LEU 130 3.556 5.472 7.464 826 HB3 LEU 130 3HB LEU 130 3.744 6.556 6.087 827 HG LEU 130 HG LEU 130 2.621 4.701 5.223 828 HD11 LEU 130 1HD1 LEU 130 4.665 5.407 3.951 829 HD12 LEU 130 2HD1 LEU 130 4.113 3.763 3.631 830 HD13 LEU 130 3HD1 LEU 130 5.506 4.037 4.677 831 HD21 LEU 130 1HD2 LEU 130 3.634 2.356 5.598 832 HD22 LEU 130 2HD2 LEU 130 2.682 3.088 6.890 833 HD23 LEU 130 3HD2 LEU 130 4.444 3.099 6.976 834 HA PRO 131 HA PRO 131 7.247 9.555 6.900 835 HB2 PRO 131 2HB PRO 131 6.104 10.999 4.906 836 HB3 PRO 131 3HB PRO 131 7.495 9.939 4.649 837 HG2 PRO 131 2HG PRO 131 4.596 9.424 4.108 838 HG3 PRO 131 3HG PRO 131 6.007 9.036 3.106 839 HD2 PRO 131 2HD PRO 131 4.766 7.191 4.651 840 HD3 PRO 131 3HD PRO 131 6.511 7.146 4.326 841 H CYS 132 H CYS 132 6.564 10.981 8.368 842 HA CYS 132 HA CYS 132 3.751 11.813 8.363 843 HB2 CYS 132 2HB CYS 132 4.703 11.601 11.071 844 HB3 CYS 132 3HB CYS 132 3.287 10.860 10.332 845 H ASN 133 H ASN 133 3.730 13.451 10.531 846 HA ASN 133 HA ASN 133 5.783 15.453 9.855 847 HB2 ASN 133 2HB ASN 133 2.957 15.902 10.845 848 HB3 ASN 133 3HB ASN 133 4.132 17.168 10.501 849 HD21 ASN 133 1HD2 ASN 133 3.744 18.141 8.662 850 HD22 ASN 133 2HD2 ASN 133 3.135 17.405 7.222 851 H ASP 134 H ASP 134 3.958 16.596 12.335 852 HA ASP 134 HA ASP 134 5.860 15.601 14.355 853 HB2 ASP 134 2HB ASP 134 4.440 18.265 14.438 854 HB3 ASP 134 3HB ASP 134 5.783 17.727 15.443 855 H GLU 135 H GLU 135 4.288 17.117 16.397 856 HA GLU 135 HA GLU 135 1.712 16.604 16.778 857 HB2 GLU 135 2HB GLU 135 1.844 14.339 16.029 858 HB3 GLU 135 3HB GLU 135 3.208 14.003 17.087 859 HG2 GLU 135 2HG GLU 135 1.884 13.919 18.985 860 HG3 GLU 135 3HG GLU 135 0.572 14.822 18.230 861 H HIS 136 H HIS 136 1.016 16.519 19.001 862 HA HIS 136 HA HIS 136 2.754 17.879 20.754 863 HB2 HIS 136 2HB HIS 136 0.211 16.393 21.446 864 HB3 HIS 136 3HB HIS 136 0.984 17.646 22.413 865 HD1 HIS 136 HD1 HIS 136 1.019 18.449 18.857 866 HD2 HIS 136 HD2 HIS 136 -1.595 18.962 22.046 867 HE1 HIS 136 HE1 HIS 136 -0.618 20.205 18.109 868 HA PRO 137 HA PRO 137 4.936 14.747 22.912 869 HB2 PRO 137 2HB PRO 137 4.874 15.634 25.477 870 HB3 PRO 137 3HB PRO 137 5.846 16.404 24.217 871 HG2 PRO 137 2HG PRO 137 3.171 17.202 25.299 872 HG3 PRO 137 3HG PRO 137 4.571 18.220 24.912 873 HD2 PRO 137 2HD PRO 137 2.441 17.980 23.256 874 HD3 PRO 137 3HD PRO 137 4.092 18.239 22.657 875 H CYS 138 H CYS 138 4.801 13.059 24.546 876 HA CYS 138 HA CYS 138 2.056 12.143 24.885 877 HB2 CYS 138 2HB CYS 138 4.575 10.877 24.430 878 HB3 CYS 138 3HB CYS 138 3.923 10.275 25.949 879 HG CYS 138 HG CYS 138 2.486 8.501 24.794 880 H TYR 139 H TYR 139 2.491 10.450 27.108 881 HA TYR 139 HA TYR 139 3.410 11.969 29.350 882 HB2 TYR 139 2HB TYR 139 0.735 12.417 28.486 883 HB3 TYR 139 3HB TYR 139 0.667 11.515 29.995 884 HD1 TYR 139 HD1 TYR 139 1.465 12.494 32.068 885 HD2 TYR 139 HD2 TYR 139 1.660 14.667 28.415 886 HE1 TYR 139 HE1 TYR 139 1.879 14.564 33.329 887 HE2 TYR 139 HE2 TYR 139 2.075 16.743 29.666 888 HH TYR 139 HH TYR 139 2.111 16.775 33.214 889 H ARG 140 H ARG 140 1.865 10.790 31.347 890 HA ARG 140 HA ARG 140 3.044 8.191 31.451 891 HB2 ARG 140 2HB ARG 140 1.105 9.602 33.288 892 HB3 ARG 140 3HB ARG 140 1.801 8.024 33.629 893 HG2 ARG 140 2HG ARG 140 3.317 10.604 33.294 894 HG3 ARG 140 3HG ARG 140 3.000 9.760 34.811 895 HD2 ARG 140 2HD ARG 140 4.238 7.795 33.869 896 HD3 ARG 140 3HD ARG 140 4.690 8.815 32.503 897 HE ARG 140 HE ARG 140 5.408 10.133 34.862 898 HH11 ARG 140 1HH1 ARG 140 6.279 7.299 33.038 899 HH12 ARG 140 2HH1 ARG 140 7.924 7.295 33.580 900 HH21 ARG 140 1HH2 ARG 140 7.572 10.139 35.584 901 HH22 ARG 140 2HH2 ARG 140 8.658 8.910 35.030 902 H LYS 141 H LYS 141 -0.024 8.111 32.851 903 HA LYS 141 HA LYS 141 -0.853 5.933 31.198 904 HB2 LYS 141 2HB LYS 141 -2.645 7.392 33.122 905 HB3 LYS 141 3HB LYS 141 -2.673 5.693 32.671 906 HG2 LYS 141 2HG LYS 141 -0.165 6.031 33.774 907 HG3 LYS 141 3HG LYS 141 -1.210 7.033 34.783 908 HD2 LYS 141 2HD LYS 141 -2.745 4.846 34.607 909 HD3 LYS 141 3HD LYS 141 -1.160 4.094 34.419 910 HE2 LYS 141 2HE LYS 141 -1.802 6.011 36.647 911 HE3 LYS 141 3HE LYS 141 -2.059 4.272 36.784 912 HZ1 LYS 141 1HZ LYS 141 0.048 4.145 37.421 913 HZ2 LYS 141 2HZ LYS 141 0.358 5.757 37.013 914 HZ3 LYS 141 3HZ LYS 141 0.503 4.545 35.842 915 H GLU 142 H GLU 142 -0.533 8.663 29.986 916 HA GLU 142 HA GLU 142 -2.547 8.538 28.082 917 HB2 GLU 142 2HB GLU 142 -3.352 9.882 30.527 918 HB3 GLU 142 3HB GLU 142 -3.449 10.956 29.138 919 HG2 GLU 142 2HG GLU 142 -5.137 9.796 28.178 920 HG3 GLU 142 3HG GLU 142 -4.584 8.247 28.812 921 H GLY 143 H GLY 143 -1.153 9.145 26.533 922 HA2 GLY 143 2HA GLY 143 0.737 11.278 26.912 923 HA3 GLY 143 3HA GLY 143 0.466 10.373 25.429 924 H GLY 144 H GLY 144 0.841 13.252 25.805 925 HA2 GLY 144 2HA GLY 144 -1.792 14.360 25.188 926 HA3 GLY 144 3HA GLY 144 -0.320 15.277 25.472 927 H VAL 145 H VAL 145 0.402 12.771 23.420 928 HA VAL 145 HA VAL 145 1.055 14.353 21.244 929 HB VAL 145 HB VAL 145 1.246 12.316 19.938 930 HG11 VAL 145 1HG1 VAL 145 2.570 10.927 21.656 931 HG12 VAL 145 2HG1 VAL 145 3.091 12.582 21.335 932 HG13 VAL 145 3HG1 VAL 145 2.162 12.215 22.790 933 HG21 VAL 145 1HG2 VAL 145 0.588 10.144 21.213 934 HG22 VAL 145 2HG2 VAL 145 -0.522 11.206 22.079 935 HG23 VAL 145 3HG2 VAL 145 -0.644 11.042 20.327 936 H VAL 146 H VAL 146 -0.157 15.443 19.856 937 HA VAL 146 HA VAL 146 -2.695 14.294 18.949 938 HB VAL 146 HB VAL 146 -2.398 17.135 19.932 939 HG11 VAL 146 1HG1 VAL 146 -4.950 17.063 19.505 940 HG12 VAL 146 2HG1 VAL 146 -3.860 17.318 18.140 941 HG13 VAL 146 3HG1 VAL 146 -4.564 15.726 18.422 942 HG21 VAL 146 1HG2 VAL 146 -2.883 16.213 21.910 943 HG22 VAL 146 2HG2 VAL 146 -4.505 15.974 21.262 944 HG23 VAL 146 3HG2 VAL 146 -3.322 14.668 21.181 945 H SER 147 H SER 147 -1.368 13.853 17.063 946 HA SER 147 HA SER 147 -1.788 15.574 14.949 947 HB2 SER 147 2HB SER 147 0.215 16.644 16.519 948 HB3 SER 147 3HB SER 147 1.115 15.788 15.268 949 HG SER 147 HG SER 147 0.139 17.013 13.723 950 H CYS 148 H CYS 148 0.457 15.128 13.346 951 HA CYS 148 HA CYS 148 0.515 12.184 13.218 952 HB2 CYS 148 2HB CYS 148 -0.601 13.842 11.361 953 HB3 CYS 148 3HB CYS 148 1.028 13.662 10.721 954 HG CYS 148 HG CYS 148 -0.323 10.753 11.625 955 H ASP 149 H ASP 149 2.449 11.537 13.911 956 HA ASP 149 HA ASP 149 4.825 12.731 12.677 957 HB2 ASP 149 2HB ASP 149 5.968 13.040 14.689 958 HB3 ASP 149 3HB ASP 149 4.337 13.579 15.080 959 H CYS 150 H CYS 150 6.815 11.322 13.231 960 HA CYS 150 HA CYS 150 6.094 8.582 12.566 961 HB2 CYS 150 2HB CYS 150 8.696 10.105 12.544 962 HB3 CYS 150 3HB CYS 150 8.625 8.365 12.281 963 H LYS 151 H LYS 151 5.935 7.063 14.063 964 HA LYS 151 HA LYS 151 6.118 7.181 16.709 965 HB2 LYS 151 2HB LYS 151 7.088 4.738 16.572 966 HB3 LYS 151 3HB LYS 151 5.467 5.095 15.991 967 HG2 LYS 151 2HG LYS 151 7.689 5.314 14.045 968 HG3 LYS 151 3HG LYS 151 7.216 3.697 14.572 969 HD2 LYS 151 2HD LYS 151 5.388 3.745 13.300 970 HD3 LYS 151 3HD LYS 151 4.896 5.302 13.971 971 HE2 LYS 151 2HE LYS 151 6.462 6.416 12.407 972 HE3 LYS 151 3HE LYS 151 6.824 4.844 11.696 973 HZ1 LYS 151 1HZ LYS 151 4.451 4.640 11.138 974 HZ2 LYS 151 2HZ LYS 151 5.183 5.961 10.377 975 HZ3 LYS 151 3HZ LYS 151 4.185 6.206 11.721 976 H THR 152 H THR 152 8.814 5.300 15.560 977 HA THR 152 HA THR 152 10.670 7.121 16.946 978 HB THR 152 HB THR 152 11.458 4.301 17.009 979 HG1 THR 152 HG1 THR 152 8.930 4.812 17.580 980 HG21 THR 152 1HG2 THR 152 11.847 6.710 18.485 981 HG22 THR 152 2HG2 THR 152 12.698 5.173 18.640 982 HG23 THR 152 3HG2 THR 152 11.238 5.471 19.581 983 H ILE 153 H ILE 153 10.148 7.076 14.156 984 HA ILE 153 HA ILE 153 11.568 5.633 12.424 985 HB ILE 153 HB ILE 153 10.514 7.477 11.479 986 HG12 ILE 153 2HG1 ILE 153 13.391 8.389 11.424 987 HG13 ILE 153 3HG1 ILE 153 12.830 6.968 10.550 988 HG21 ILE 153 1HG2 ILE 153 12.104 9.248 13.332 989 HG22 ILE 153 2HG2 ILE 153 10.965 9.808 12.109 990 HG23 ILE 153 3HG2 ILE 153 10.391 8.853 13.475 991 HD11 ILE 153 1HD1 ILE 153 12.880 8.768 9.018 992 HD12 ILE 153 2HD1 ILE 153 11.184 8.458 9.390 993 HD13 ILE 153 3HD1 ILE 153 12.013 9.826 10.131 994 H THR 154 H THR 154 13.548 4.827 12.362 995 HA THR 154 HA THR 154 15.625 5.704 14.091 996 HB THR 154 HB THR 154 16.999 4.013 13.100 997 HG1 THR 154 HG1 THR 154 15.667 4.628 10.880 998 HG21 THR 154 1HG2 THR 154 15.811 2.336 13.981 999 HG22 THR 154 2HG2 THR 154 14.570 2.465 12.735 1000 HG23 THR 154 3HG2 THR 154 14.491 3.490 14.168 1001 H CYS 155 H CYS 155 17.789 6.371 13.379 1002 HA CYS 155 HA CYS 155 17.584 8.370 11.249 1003 HB2 CYS 155 2HB CYS 155 19.467 8.028 13.578 1004 HB3 CYS 155 3HB CYS 155 19.796 9.163 12.273 1005 H ASN 156 H ASN 156 19.885 8.780 10.210 1006 HA ASN 156 HA ASN 156 20.401 6.653 8.489 1007 HB2 ASN 156 2HB ASN 156 20.998 9.148 8.236 1008 HB3 ASN 156 3HB ASN 156 22.460 8.753 9.135 1009 HD21 ASN 156 1HD2 ASN 156 20.569 7.436 6.432 1010 HD22 ASN 156 2HD2 ASN 156 21.930 7.112 5.418 1011 H GLU 157 H GLU 157 22.205 5.251 8.282 1012 HA GLU 157 HA GLU 157 22.887 3.749 10.449 1013 HB2 GLU 157 2HB GLU 157 24.966 3.104 9.110 1014 HB3 GLU 157 3HB GLU 157 23.407 2.859 8.336 1015 HG2 GLU 157 2HG GLU 157 23.905 4.241 6.673 1016 HG3 GLU 157 3HG GLU 157 24.492 5.484 7.777 1017 H ASP 158 H ASP 158 24.284 6.777 9.458 1018 HA ASP 158 HA ASP 158 26.716 6.785 10.749 1019 HB2 ASP 158 2HB ASP 158 24.704 8.987 10.317 1020 HB3 ASP 158 3HB ASP 158 26.268 9.288 11.069 1021 H HIS 159 H HIS 159 23.594 6.626 12.131 1022 HA HIS 159 HA HIS 159 24.411 6.025 14.689 1023 HB2 HIS 159 2HB HIS 159 24.833 8.750 14.220 1024 HB3 HIS 159 3HB HIS 159 23.354 8.682 15.173 1025 HD1 HIS 159 HD1 HIS 159 23.606 7.210 17.469 1026 HD2 HIS 159 HD2 HIS 159 27.103 8.581 15.693 1027 HE1 HIS 159 HE1 HIS 159 25.367 7.079 19.261 1028 HA PRO 160 HA PRO 160 20.072 5.063 14.359 1029 HB2 PRO 160 2HB PRO 160 19.952 3.567 16.622 1030 HB3 PRO 160 3HB PRO 160 20.638 2.966 15.108 1031 HG2 PRO 160 2HG PRO 160 22.035 4.061 17.519 1032 HG3 PRO 160 3HG PRO 160 22.451 2.649 16.530 1033 HD2 PRO 160 2HD PRO 160 23.702 5.035 16.261 1034 HD3 PRO 160 3HD PRO 160 23.449 3.931 14.894 1035 H CYS 161 H CYS 161 18.722 6.703 14.791 1036 HA CYS 161 HA CYS 161 17.957 7.250 17.495 1037 HB2 CYS 161 2HB CYS 161 18.577 9.540 17.649 1038 HB3 CYS 161 3HB CYS 161 20.026 8.675 17.148 1039 H TYR 162 H TYR 162 16.526 9.497 17.291 1040 HA TYR 162 HA TYR 162 14.433 8.730 15.440 1041 HB2 TYR 162 2HB TYR 162 14.358 11.108 17.285 1042 HB3 TYR 162 3HB TYR 162 13.010 10.163 16.661 1043 HD1 TYR 162 HD1 TYR 162 13.602 10.902 19.583 1044 HD2 TYR 162 HD2 TYR 162 14.482 7.450 17.256 1045 HE1 TYR 162 HE1 TYR 162 13.620 9.536 21.628 1046 HE2 TYR 162 HE2 TYR 162 14.501 6.074 19.295 1047 HH TYR 162 HH TYR 162 13.356 7.229 22.304 1048 H HIS 163 H HIS 163 14.391 9.474 13.435 1049 HA HIS 163 HA HIS 163 15.915 11.782 12.643 1050 HB2 HIS 163 2HB HIS 163 15.003 9.494 11.359 1051 HB3 HIS 163 3HB HIS 163 14.034 10.785 10.654 1052 HD1 HIS 163 HD1 HIS 163 17.582 11.380 11.706 1053 HD2 HIS 163 HD2 HIS 163 15.404 10.725 8.230 1054 HE1 HIS 163 HE1 HIS 163 19.160 11.894 9.817 1055 H SER 164 H SER 164 12.487 10.978 12.071 1056 HA SER 164 HA SER 164 11.810 13.753 11.763 1057 HB2 SER 164 2HB SER 164 10.734 11.566 10.697 1058 HB3 SER 164 3HB SER 164 9.698 11.675 12.120 1059 HG SER 164 HG SER 164 8.640 13.007 10.858 1060 H TYR 165 H TYR 165 9.136 13.284 13.052 1061 HA TYR 165 HA TYR 165 9.955 14.073 15.750 1062 HB2 TYR 165 2HB TYR 165 7.868 14.898 13.940 1063 HB3 TYR 165 3HB TYR 165 7.171 14.385 15.472 1064 HD1 TYR 165 HD1 TYR 165 7.075 15.891 17.235 1065 HD2 TYR 165 HD2 TYR 165 9.878 16.559 14.104 1066 HE1 TYR 165 HE1 TYR 165 7.665 18.060 18.234 1067 HE2 TYR 165 HE2 TYR 165 10.477 18.729 15.095 1068 HH TYR 165 HH TYR 165 9.080 20.447 16.741 1069 H GLU 166 H GLU 166 9.788 12.695 17.379 1070 HA GLU 166 HA GLU 166 8.464 10.158 17.027 1071 HB2 GLU 166 2HB GLU 166 9.255 9.820 19.437 1072 HB3 GLU 166 3HB GLU 166 10.492 10.004 18.201 1073 HG2 GLU 166 2HG GLU 166 9.607 12.469 19.563 1074 HG3 GLU 166 3HG GLU 166 10.532 11.316 20.523 1075 H GLU 167 H GLU 167 7.375 9.458 19.342 1076 HA GLU 167 HA GLU 167 5.585 9.663 20.746 1077 HB2 GLU 167 2HB GLU 167 6.489 12.365 20.436 1078 HB3 GLU 167 3HB GLU 167 4.731 12.345 20.437 1079 HG2 GLU 167 2HG GLU 167 5.335 12.635 22.672 1080 HG3 GLU 167 3HG GLU 167 4.897 10.933 22.538 1081 H ASP 168 H ASP 168 5.303 8.881 18.054 1082 HA ASP 168 HA ASP 168 3.205 10.163 16.695 1083 HB2 ASP 168 2HB ASP 168 4.604 8.588 15.529 1084 HB3 ASP 168 3HB ASP 168 4.143 7.291 16.628 1085 H GLY 169 H GLY 169 1.026 9.199 16.298 1086 HA2 GLY 169 2HA GLY 169 -0.556 7.507 17.385 1087 HA3 GLY 169 3HA GLY 169 -0.121 8.334 18.873 1088 H VAL 170 H VAL 170 -1.636 8.781 15.711 1089 HA VAL 170 HA VAL 170 -2.666 11.366 16.221 1090 HB VAL 170 HB VAL 170 -3.827 9.308 14.342 1091 HG11 VAL 170 1HG1 VAL 170 -3.972 12.315 14.456 1092 HG12 VAL 170 2HG1 VAL 170 -4.479 11.360 13.062 1093 HG13 VAL 170 3HG1 VAL 170 -5.300 11.165 14.611 1094 HG21 VAL 170 1HG2 VAL 170 -1.256 10.571 14.305 1095 HG22 VAL 170 2HG2 VAL 170 -1.941 9.407 13.170 1096 HG23 VAL 170 3HG2 VAL 170 -2.215 11.133 12.936 1097 H THR 171 H THR 171 -3.969 11.765 17.892 1098 HA THR 171 HA THR 171 -6.359 10.081 18.208 1099 HB THR 171 HB THR 171 -6.230 10.171 20.606 1100 HG1 THR 171 HG1 THR 171 -4.372 11.190 21.595 1101 HG21 THR 171 1HG2 THR 171 -4.775 8.470 20.758 1102 HG22 THR 171 2HG2 THR 171 -3.420 9.470 20.235 1103 HG23 THR 171 3HG2 THR 171 -4.486 8.733 19.039 1104 H LYS 172 H LYS 172 -8.190 11.149 19.136 1105 HA LYS 172 HA LYS 172 -8.057 14.049 19.394 1106 HB2 LYS 172 2HB LYS 172 -10.064 14.283 17.884 1107 HB3 LYS 172 3HB LYS 172 -8.556 13.883 17.072 1108 HG2 LYS 172 2HG LYS 172 -9.777 11.436 17.704 1109 HG3 LYS 172 3HG LYS 172 -11.048 12.479 17.063 1110 HD2 LYS 172 2HD LYS 172 -10.081 11.329 15.215 1111 HD3 LYS 172 3HD LYS 172 -9.515 12.999 15.142 1112 HE2 LYS 172 2HE LYS 172 -7.615 11.685 14.714 1113 HE3 LYS 172 3HE LYS 172 -7.455 12.191 16.395 1114 HZ1 LYS 172 1HZ LYS 172 -8.253 9.536 15.359 1115 HZ2 LYS 172 2HZ LYS 172 -8.517 9.990 16.966 1116 HZ3 LYS 172 3HZ LYS 172 -6.941 9.918 16.356 1117 H SER 173 H SER 173 -8.617 13.890 21.539 1118 HA SER 173 HA SER 173 -11.405 13.151 22.047 1119 HB2 SER 173 2HB SER 173 -10.915 11.807 23.927 1120 HB3 SER 173 3HB SER 173 -9.773 11.274 22.693 1121 HG SER 173 HG SER 173 -8.975 11.770 24.933 1122 H ASP 174 H ASP 174 -9.832 15.669 21.787 1123 HA ASP 174 HA ASP 174 -10.338 16.776 24.472 1124 HB2 ASP 174 2HB ASP 174 -8.755 18.637 23.654 1125 HB3 ASP 174 3HB ASP 174 -8.042 17.085 24.085 1126 H CYS 175 H CYS 175 -11.137 16.895 21.139 1127 HA CYS 175 HA CYS 175 -12.027 19.478 20.760 1128 HB2 CYS 175 2HB CYS 175 -13.668 18.482 19.147 1129 HB3 CYS 175 3HB CYS 175 -12.012 17.931 18.925 1130 HG CYS 175 HG CYS 175 -13.318 15.795 20.946 1131 H ASP 176 H ASP 176 -14.422 20.094 20.528 1132 HA ASP 176 HA ASP 176 -16.403 20.608 21.521 1133 HB2 ASP 176 2HB ASP 176 -16.421 17.931 21.429 1134 HB3 ASP 176 3HB ASP 176 -16.435 18.139 23.178 1135 H CYS 177 H CYS 177 -13.726 21.058 22.848 1136 HA CYS 177 HA CYS 177 -14.813 21.994 25.376 1137 HB2 CYS 177 2HB CYS 177 -13.547 19.595 25.422 1138 HB3 CYS 177 3HB CYS 177 -12.183 20.678 25.671 1139 HG CYS 177 HG CYS 177 -13.115 19.688 28.144 1140 H GLU 178 H GLU 178 -12.962 23.216 26.599 1141 HA GLU 178 HA GLU 178 -11.928 25.149 24.715 1142 HB2 GLU 178 2HB GLU 178 -11.556 25.119 27.710 1143 HB3 GLU 178 3HB GLU 178 -11.403 26.495 26.627 1144 HG2 GLU 178 2HG GLU 178 -13.902 25.060 27.458 1145 HG3 GLU 178 3HG GLU 178 -13.462 26.744 27.739 1146 H HIS 179 H HIS 179 -10.242 24.223 23.613 1147 HA HIS 179 HA HIS 179 -7.752 24.001 25.074 1148 HB2 HIS 179 2HB HIS 179 -7.222 21.784 24.521 1149 HB3 HIS 179 3HB HIS 179 -8.905 21.695 25.033 1150 HD1 HIS 179 HD1 HIS 179 -10.537 22.189 22.679 1151 HD2 HIS 179 HD2 HIS 179 -6.894 20.217 22.359 1152 HE1 HIS 179 HE1 HIS 179 -10.660 20.894 20.527 1153 H SER 180 H SER 180 -6.046 24.650 23.880 1154 HA SER 180 HA SER 180 -6.030 24.521 21.012 1155 HB2 SER 180 2HB SER 180 -5.972 27.297 22.188 1156 HB3 SER 180 3HB SER 180 -6.122 26.830 20.495 1157 HG SER 180 HG SER 180 -8.179 25.850 21.156 1158 HA PRO 181 HA PRO 181 -1.936 24.627 23.284 1159 HB2 PRO 181 2HB PRO 181 -1.079 22.207 22.400 1160 HB3 PRO 181 3HB PRO 181 -2.043 22.407 23.868 1161 HG2 PRO 181 2HG PRO 181 -2.919 21.592 21.124 1162 HG3 PRO 181 3HG PRO 181 -3.394 20.922 22.696 1163 HD2 PRO 181 2HD PRO 181 -4.950 22.661 21.322 1164 HD3 PRO 181 3HD PRO 181 -4.913 22.609 23.096 1165 H GLY 182 H GLY 182 0.275 24.170 22.217 1166 HA2 GLY 182 2HA GLY 182 0.173 25.341 19.529 1167 HA3 GLY 182 3HA GLY 182 1.566 25.340 20.601 1168 HA PRO 183 HA PRO 183 1.131 21.204 18.040 1169 HB2 PRO 183 2HB PRO 183 0.730 21.810 15.424 1170 HB3 PRO 183 3HB PRO 183 -0.593 21.465 16.544 1171 HG2 PRO 183 2HG PRO 183 0.450 24.108 15.602 1172 HG3 PRO 183 3HG PRO 183 -1.229 23.575 15.804 1173 HD2 PRO 183 2HD PRO 183 0.034 25.131 17.625 1174 HD3 PRO 183 3HD PRO 183 -1.206 23.944 18.079 1175 H SER 184 H SER 184 2.877 20.303 16.932 1176 HA SER 184 HA SER 184 5.183 22.038 16.695 1177 HB2 SER 184 2HB SER 184 4.717 19.104 16.833 1178 HB3 SER 184 3HB SER 184 6.166 19.645 15.986 1179 HG SER 184 HG SER 184 5.847 19.404 18.571 1180 H GLU 185 H GLU 185 3.180 20.022 14.599 1181 HA GLU 185 HA GLU 185 4.755 20.537 12.256 1182 HB2 GLU 185 2HB GLU 185 2.750 19.503 11.083 1183 HB3 GLU 185 3HB GLU 185 3.584 18.486 12.249 1184 HG2 GLU 185 2HG GLU 185 1.718 18.191 13.391 1185 HG3 GLU 185 3HG GLU 185 1.512 19.931 13.578
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