NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
590235 | 2ruf | 11562 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -14.893 20.459 4.450 2 H2 GLY 1 2H GLY 1 -13.255 20.765 4.158 3 H3 GLY 1 3H GLY 1 -14.097 19.669 3.183 4 HA2 GLY 1 HA3 GLY 1 -15.073 21.257 1.940 5 HA3 GLY 1 HA2 GLY 1 -15.195 22.355 3.306 6 HA PRO 2 HA PRO 2 -11.969 24.896 1.721 7 HB2 PRO 2 HB2 PRO 2 -10.798 24.786 4.460 8 HB3 PRO 2 HB3 PRO 2 -11.195 26.189 3.461 9 HG2 PRO 2 HG2 PRO 2 -12.746 25.504 5.513 10 HG3 PRO 2 HG3 PRO 2 -13.451 26.098 3.998 11 HD2 PRO 2 HD2 PRO 2 -13.312 23.314 5.063 12 HD3 PRO 2 HD3 PRO 2 -14.595 24.101 4.121 13 H LEU 3 H LEU 3 -10.889 22.359 3.972 14 HA LEU 3 HA LEU 3 -8.518 21.964 2.268 15 HB2 LEU 3 HB2 LEU 3 -7.958 22.645 4.539 16 HB3 LEU 3 HB3 LEU 3 -8.914 21.328 5.192 17 HG LEU 3 HG LEU 3 -6.626 20.721 3.362 18 HD11 LEU 3 HD11 LEU 3 -5.159 20.564 5.342 19 HD12 LEU 3 HD12 LEU 3 -6.418 21.338 6.304 20 HD13 LEU 3 HD13 LEU 3 -5.653 22.218 4.981 21 HD21 LEU 3 HD21 LEU 3 -7.758 18.778 3.820 22 HD22 LEU 3 HD22 LEU 3 -8.238 19.308 5.432 23 HD23 LEU 3 HD23 LEU 3 -6.580 18.788 5.133 24 H GLY 4 H GLY 4 -9.112 20.415 0.848 25 HA2 GLY 4 HA2 GLY 4 -10.438 18.006 1.902 26 HA3 GLY 4 HA3 GLY 4 -10.438 18.508 0.218 27 H SER 5 H SER 5 -7.530 19.137 0.357 28 HA SER 5 HA SER 5 -6.599 16.447 -0.211 29 HB2 SER 5 HB2 SER 5 -6.105 18.888 -1.380 30 HB3 SER 5 HB3 SER 5 -4.643 18.626 -0.430 31 HG SER 5 HG SER 5 -4.671 16.452 -1.453 32 H GLU 6 H GLU 6 -3.868 16.754 0.349 33 HA GLU 6 HA GLU 6 -2.319 16.492 1.993 34 HB2 GLU 6 HB2 GLU 6 -4.114 18.530 3.042 35 HB3 GLU 6 HB3 GLU 6 -3.385 17.573 4.324 36 HG2 GLU 6 HG2 GLU 6 -1.291 18.340 3.901 37 HG3 GLU 6 HG3 GLU 6 -1.602 18.575 2.182 38 H GLY 7 H GLY 7 -1.843 14.751 3.185 39 HA2 GLY 7 HA2 GLY 7 -2.120 12.802 4.359 40 HA3 GLY 7 HA3 GLY 7 -3.401 13.641 5.221 41 HA PRO 8 HA PRO 8 -5.869 11.591 1.742 42 HB2 PRO 8 HB2 PRO 8 -4.726 10.813 -0.552 43 HB3 PRO 8 HB3 PRO 8 -5.122 12.509 -0.249 44 HG2 PRO 8 HG2 PRO 8 -2.484 11.111 -0.028 45 HG3 PRO 8 HG3 PRO 8 -2.852 12.701 -0.721 46 HD2 PRO 8 HD2 PRO 8 -1.845 12.327 1.804 47 HD3 PRO 8 HD3 PRO 8 -2.816 13.732 1.322 48 H VAL 9 H VAL 9 -2.636 10.112 1.712 49 HA VAL 9 HA VAL 9 -3.855 7.449 1.861 50 HB VAL 9 HB VAL 9 -0.915 8.041 1.572 51 HG11 VAL 9 HG11 VAL 9 -1.316 5.786 2.179 52 HG12 VAL 9 HG12 VAL 9 -0.992 5.786 0.445 53 HG13 VAL 9 HG13 VAL 9 -2.648 5.641 1.032 54 HG21 VAL 9 HG21 VAL 9 -1.309 7.633 -0.889 55 HG22 VAL 9 HG22 VAL 9 -1.887 9.179 -0.267 56 HG23 VAL 9 HG23 VAL 9 -3.027 7.867 -0.566 57 H THR 10 H THR 10 -2.925 5.875 3.367 58 HA THR 10 HA THR 10 -2.773 6.947 6.009 59 HB THR 10 HB THR 10 -2.301 4.128 5.014 60 HG1 THR 10 HG1 THR 10 -4.376 4.483 4.620 61 HG21 THR 10 HG21 THR 10 -3.356 4.196 7.639 62 HG22 THR 10 HG22 THR 10 -1.905 5.198 7.602 63 HG23 THR 10 HG23 THR 10 -1.828 3.515 7.079 64 H VAL 11 H VAL 11 -1.035 7.045 7.404 65 HA VAL 11 HA VAL 11 1.592 6.953 6.108 66 HB VAL 11 HB VAL 11 0.845 8.224 8.744 67 HG11 VAL 11 HG11 VAL 11 3.347 8.258 7.076 68 HG12 VAL 11 HG12 VAL 11 3.160 7.768 8.760 69 HG13 VAL 11 HG13 VAL 11 3.012 9.468 8.315 70 HG21 VAL 11 HG21 VAL 11 -0.216 9.706 7.428 71 HG22 VAL 11 HG22 VAL 11 0.608 9.155 5.969 72 HG23 VAL 11 HG23 VAL 11 1.412 10.281 7.064 73 H VAL 12 H VAL 12 3.117 5.535 6.674 74 HA VAL 12 HA VAL 12 2.741 3.975 9.142 75 HB VAL 12 HB VAL 12 3.450 2.933 6.400 76 HG11 VAL 12 HG11 VAL 12 4.874 1.530 7.406 77 HG12 VAL 12 HG12 VAL 12 3.434 0.738 8.049 78 HG13 VAL 12 HG13 VAL 12 4.284 1.944 9.016 79 HG21 VAL 12 HG21 VAL 12 1.429 1.777 8.274 80 HG22 VAL 12 HG22 VAL 12 1.500 1.696 6.514 81 HG23 VAL 12 HG23 VAL 12 1.031 3.198 7.309 82 H VAL 13 H VAL 13 4.341 4.594 10.433 83 HA VAL 13 HA VAL 13 7.039 4.905 9.291 84 HB VAL 13 HB VAL 13 6.144 6.974 10.280 85 HG11 VAL 13 HG11 VAL 13 5.939 5.299 12.773 86 HG12 VAL 13 HG12 VAL 13 4.645 6.153 11.934 87 HG13 VAL 13 HG13 VAL 13 5.900 7.062 12.777 88 HG21 VAL 13 HG21 VAL 13 8.579 6.417 10.343 89 HG22 VAL 13 HG22 VAL 13 8.350 5.846 11.996 90 HG23 VAL 13 HG23 VAL 13 8.056 7.539 11.599 91 H ALA 14 H ALA 14 8.833 4.272 10.729 92 HA ALA 14 HA ALA 14 8.779 1.661 11.517 93 HB1 ALA 14 HB1 ALA 14 10.722 3.452 11.358 94 HB2 ALA 14 HB2 ALA 14 10.903 1.960 12.281 95 HB3 ALA 14 HB3 ALA 14 10.513 3.467 13.109 96 H LYS 15 H LYS 15 7.657 4.417 13.321 97 HA LYS 15 HA LYS 15 7.624 3.232 15.888 98 HB2 LYS 15 HB2 LYS 15 5.915 5.464 14.777 99 HB3 LYS 15 HB3 LYS 15 6.079 5.058 16.480 100 HG2 LYS 15 HG2 LYS 15 8.503 5.713 14.867 101 HG3 LYS 15 HG3 LYS 15 7.465 7.004 15.474 102 HD2 LYS 15 HD2 LYS 15 8.158 4.952 17.456 103 HD3 LYS 15 HD3 LYS 15 9.528 5.888 16.856 104 HE2 LYS 15 HE2 LYS 15 7.702 7.848 17.285 105 HE3 LYS 15 HE3 LYS 15 7.273 6.705 18.556 106 HZ1 LYS 15 HZ1 LYS 15 9.805 6.713 19.002 107 HZ2 LYS 15 HZ2 LYS 15 8.863 7.999 19.567 108 HZ3 LYS 15 HZ3 LYS 15 9.787 8.182 18.162 109 H ASN 16 H ASN 16 5.449 3.053 13.168 110 HA ASN 16 HA ASN 16 3.807 1.156 14.683 111 HB2 ASN 16 HB2 ASN 16 1.810 2.212 13.337 112 HB3 ASN 16 HB3 ASN 16 2.338 2.924 14.857 113 HD21 ASN 16 HD21 ASN 16 2.096 3.313 11.445 114 HD22 ASN 16 HD22 ASN 16 2.633 4.954 11.376 115 H TYR 17 H TYR 17 5.872 1.029 12.489 116 HA TYR 17 HA TYR 17 4.552 0.300 10.082 117 HB2 TYR 17 HB2 TYR 17 6.976 0.951 10.289 118 HB3 TYR 17 HB3 TYR 17 7.271 -0.621 11.025 119 HD1 TYR 17 HD1 TYR 17 6.377 -2.678 9.579 120 HD2 TYR 17 HD2 TYR 17 7.322 1.168 8.018 121 HE1 TYR 17 HE1 TYR 17 6.673 -3.662 7.349 122 HE2 TYR 17 HE2 TYR 17 7.620 0.191 5.783 123 HH TYR 17 HH TYR 17 6.656 -3.013 5.033 124 H ASN 18 H ASN 18 5.809 -1.536 12.825 125 HA ASN 18 HA ASN 18 5.193 -4.095 11.775 126 HB2 ASN 18 HB2 ASN 18 5.371 -3.452 14.707 127 HB3 ASN 18 HB3 ASN 18 5.798 -4.952 13.890 128 HD21 ASN 18 HD21 ASN 18 7.863 -5.280 13.479 129 HD22 ASN 18 HD22 ASN 18 9.097 -4.072 13.454 130 H GLU 19 H GLU 19 3.561 -2.155 14.288 131 HA GLU 19 HA GLU 19 1.453 -3.853 14.807 132 HB2 GLU 19 HB2 GLU 19 2.072 -1.084 15.275 133 HB3 GLU 19 HB3 GLU 19 0.369 -1.249 14.869 134 HG2 GLU 19 HG2 GLU 19 0.144 -1.626 17.062 135 HG3 GLU 19 HG3 GLU 19 0.636 -3.264 16.634 136 H ILE 20 H ILE 20 1.845 -1.634 12.119 137 HA ILE 20 HA ILE 20 -0.844 -1.878 11.176 138 HB ILE 20 HB ILE 20 1.653 -0.844 9.834 139 HG12 ILE 20 HG12 ILE 20 0.671 0.413 11.792 140 HG13 ILE 20 HG13 ILE 20 0.776 1.331 10.294 141 HG21 ILE 20 HG21 ILE 20 -0.332 0.231 8.375 142 HG22 ILE 20 HG22 ILE 20 -1.048 -1.336 8.753 143 HG23 ILE 20 HG23 ILE 20 0.509 -1.254 7.929 144 HD11 ILE 20 HD11 ILE 20 -1.324 1.735 11.446 145 HD12 ILE 20 HD12 ILE 20 -1.700 0.013 11.386 146 HD13 ILE 20 HD13 ILE 20 -1.597 0.946 9.893 147 H VAL 21 H VAL 21 2.040 -2.713 9.285 148 HA VAL 21 HA VAL 21 0.926 -4.445 7.516 149 HB VAL 21 HB VAL 21 3.646 -4.834 8.770 150 HG11 VAL 21 HG11 VAL 21 4.265 -5.961 6.771 151 HG12 VAL 21 HG12 VAL 21 2.740 -5.545 5.988 152 HG13 VAL 21 HG13 VAL 21 2.760 -6.690 7.330 153 HG21 VAL 21 HG21 VAL 21 3.611 -2.598 8.066 154 HG22 VAL 21 HG22 VAL 21 2.672 -2.975 6.621 155 HG23 VAL 21 HG23 VAL 21 4.361 -3.471 6.729 156 H LEU 22 H LEU 22 1.733 -5.096 10.847 157 HA LEU 22 HA LEU 22 1.532 -7.919 10.768 158 HB2 LEU 22 HB2 LEU 22 1.386 -5.857 12.934 159 HB3 LEU 22 HB3 LEU 22 0.998 -7.521 13.292 160 HG LEU 22 HG LEU 22 3.624 -6.638 12.104 161 HD11 LEU 22 HD11 LEU 22 3.957 -5.770 14.154 162 HD12 LEU 22 HD12 LEU 22 4.232 -7.454 14.598 163 HD13 LEU 22 HD13 LEU 22 2.658 -6.713 14.884 164 HD21 LEU 22 HD21 LEU 22 3.353 -9.168 13.586 165 HD22 LEU 22 HD22 LEU 22 4.262 -8.799 12.120 166 HD23 LEU 22 HD23 LEU 22 2.526 -9.100 12.030 167 H ASP 23 H ASP 23 -0.816 -5.351 11.452 168 HA ASP 23 HA ASP 23 -2.961 -6.744 12.398 169 HB2 ASP 23 HB2 ASP 23 -2.612 -4.205 11.579 170 HB3 ASP 23 HB3 ASP 23 -3.597 -4.802 10.246 171 H ASP 24 H ASP 24 -3.209 -8.807 11.631 172 HA ASP 24 HA ASP 24 -3.511 -9.318 8.801 173 HB2 ASP 24 HB2 ASP 24 -3.929 -11.681 9.592 174 HB3 ASP 24 HB3 ASP 24 -2.365 -11.006 10.036 175 H THR 25 H THR 25 -5.560 -8.414 11.357 176 HA THR 25 HA THR 25 -7.922 -9.774 10.557 177 HB THR 25 HB THR 25 -7.631 -8.868 12.818 178 HG1 THR 25 HG1 THR 25 -9.759 -9.082 11.856 179 HG21 THR 25 HG21 THR 25 -8.189 -6.343 13.009 180 HG22 THR 25 HG22 THR 25 -7.501 -6.259 11.387 181 HG23 THR 25 HG23 THR 25 -6.526 -6.859 12.729 182 H LYS 26 H LYS 26 -6.223 -7.220 9.145 183 HA LYS 26 HA LYS 26 -8.525 -6.618 7.436 184 HB2 LYS 26 HB2 LYS 26 -6.903 -4.670 9.020 185 HB3 LYS 26 HB3 LYS 26 -7.514 -4.183 7.446 186 HG2 LYS 26 HG2 LYS 26 -9.796 -4.721 8.186 187 HG3 LYS 26 HG3 LYS 26 -9.160 -5.142 9.778 188 HD2 LYS 26 HD2 LYS 26 -8.927 -2.438 8.457 189 HD3 LYS 26 HD3 LYS 26 -10.082 -2.863 9.721 190 HE2 LYS 26 HE2 LYS 26 -7.771 -3.635 10.886 191 HE3 LYS 26 HE3 LYS 26 -7.195 -2.295 9.897 192 HZ1 LYS 26 HZ1 LYS 26 -7.845 -1.536 12.085 193 HZ2 LYS 26 HZ2 LYS 26 -9.400 -2.167 11.883 194 HZ3 LYS 26 HZ3 LYS 26 -8.879 -0.880 10.918 195 H ASP 27 H ASP 27 -7.827 -5.424 5.427 196 HA ASP 27 HA ASP 27 -5.549 -6.790 4.300 197 HB2 ASP 27 HB2 ASP 27 -7.865 -5.279 3.283 198 HB3 ASP 27 HB3 ASP 27 -6.391 -5.083 2.339 199 H VAL 28 H VAL 28 -3.557 -5.984 4.023 200 HA VAL 28 HA VAL 28 -3.168 -3.109 4.539 201 HB VAL 28 HB VAL 28 -1.246 -5.383 5.056 202 HG11 VAL 28 HG11 VAL 28 0.277 -3.751 4.715 203 HG12 VAL 28 HG12 VAL 28 -0.188 -3.264 6.345 204 HG13 VAL 28 HG13 VAL 28 -0.898 -2.457 4.946 205 HG21 VAL 28 HG21 VAL 28 -1.537 -4.625 7.438 206 HG22 VAL 28 HG22 VAL 28 -2.944 -5.406 6.715 207 HG23 VAL 28 HG23 VAL 28 -2.896 -3.650 6.879 208 H LEU 29 H LEU 29 -1.954 -1.914 3.176 209 HA LEU 29 HA LEU 29 -0.654 -3.251 0.910 210 HB2 LEU 29 HB2 LEU 29 -3.081 -2.046 0.625 211 HB3 LEU 29 HB3 LEU 29 -2.003 -0.710 0.272 212 HG LEU 29 HG LEU 29 -2.203 -3.339 -1.187 213 HD11 LEU 29 HD11 LEU 29 -3.850 -1.586 -1.740 214 HD12 LEU 29 HD12 LEU 29 -2.770 -1.964 -3.083 215 HD13 LEU 29 HD13 LEU 29 -2.520 -0.497 -2.137 216 HD21 LEU 29 HD21 LEU 29 0.172 -2.613 -0.840 217 HD22 LEU 29 HD22 LEU 29 -0.217 -1.143 -1.731 218 HD23 LEU 29 HD23 LEU 29 -0.338 -2.712 -2.525 219 H ILE 30 H ILE 30 1.416 -2.778 1.429 220 HA ILE 30 HA ILE 30 2.074 -0.004 2.131 221 HB ILE 30 HB ILE 30 2.862 -1.631 3.740 222 HG12 ILE 30 HG12 ILE 30 5.401 -0.961 2.339 223 HG13 ILE 30 HG13 ILE 30 4.335 0.376 2.759 224 HG21 ILE 30 HG21 ILE 30 4.549 -3.326 3.101 225 HG22 ILE 30 HG22 ILE 30 4.281 -2.908 1.409 226 HG23 ILE 30 HG23 ILE 30 2.970 -3.600 2.364 227 HD11 ILE 30 HD11 ILE 30 4.884 -1.581 4.894 228 HD12 ILE 30 HD12 ILE 30 4.737 0.175 4.966 229 HD13 ILE 30 HD13 ILE 30 6.230 -0.563 4.384 230 H GLU 31 H GLU 31 3.204 1.259 0.806 231 HA GLU 31 HA GLU 31 4.536 0.031 -1.518 232 HB2 GLU 31 HB2 GLU 31 2.478 1.106 -2.264 233 HB3 GLU 31 HB3 GLU 31 2.932 2.596 -1.449 234 HG2 GLU 31 HG2 GLU 31 4.906 1.615 -3.377 235 HG3 GLU 31 HG3 GLU 31 3.350 2.063 -4.074 236 H PHE 32 H PHE 32 6.654 0.427 -1.529 237 HA PHE 32 HA PHE 32 7.665 2.649 0.086 238 HB2 PHE 32 HB2 PHE 32 9.385 0.555 -1.214 239 HB3 PHE 32 HB3 PHE 32 9.732 1.540 0.200 240 HD1 PHE 32 HD1 PHE 32 7.582 -1.226 -1.018 241 HD2 PHE 32 HD2 PHE 32 9.270 0.763 2.344 242 HE1 PHE 32 HE1 PHE 32 6.793 -3.040 0.445 243 HE2 PHE 32 HE2 PHE 32 8.486 -1.047 3.813 244 HZ PHE 32 HZ PHE 32 7.245 -2.952 2.865 245 H TYR 33 H TYR 33 8.964 4.253 -0.708 246 HA TYR 33 HA TYR 33 9.840 4.267 -3.450 247 HB2 TYR 33 HB2 TYR 33 8.565 6.208 -4.158 248 HB3 TYR 33 HB3 TYR 33 7.458 4.932 -3.660 249 HD1 TYR 33 HD1 TYR 33 6.908 5.078 -0.997 250 HD2 TYR 33 HD2 TYR 33 7.993 8.335 -3.509 251 HE1 TYR 33 HE1 TYR 33 5.816 6.635 0.562 252 HE2 TYR 33 HE2 TYR 33 6.902 9.902 -1.958 253 HH TYR 33 HH TYR 33 4.838 8.874 0.545 254 H ALA 34 H ALA 34 10.947 6.375 -3.979 255 HA ALA 34 HA ALA 34 12.227 7.426 -1.544 256 HB1 ALA 34 HB1 ALA 34 13.651 7.884 -4.050 257 HB2 ALA 34 HB2 ALA 34 13.418 6.177 -3.671 258 HB3 ALA 34 HB3 ALA 34 14.231 7.234 -2.516 259 HA PRO 35 HA PRO 35 10.516 11.387 -2.559 260 HB2 PRO 35 HB2 PRO 35 12.163 12.965 -1.092 261 HB3 PRO 35 HB3 PRO 35 10.899 11.963 -0.370 262 HG2 PRO 35 HG2 PRO 35 13.835 11.432 -0.602 263 HG3 PRO 35 HG3 PRO 35 12.755 11.161 0.777 264 HD2 PRO 35 HD2 PRO 35 13.531 9.170 -0.891 265 HD3 PRO 35 HD3 PRO 35 11.952 9.181 -0.081 266 H TRP 36 H TRP 36 13.609 10.364 -3.494 267 HA TRP 36 HA TRP 36 14.096 12.843 -4.997 268 HB2 TRP 36 HB2 TRP 36 16.400 11.631 -5.366 269 HB3 TRP 36 HB3 TRP 36 16.070 12.476 -3.858 270 HD1 TRP 36 HD1 TRP 36 15.382 10.875 -1.721 271 HE1 TRP 36 HE1 TRP 36 16.142 8.482 -1.156 272 HE3 TRP 36 HE3 TRP 36 17.080 9.454 -6.329 273 HZ2 TRP 36 HZ2 TRP 36 17.309 6.284 -2.487 274 HZ3 TRP 36 HZ3 TRP 36 18.004 7.189 -6.598 275 HH2 TRP 36 HH2 TRP 36 18.116 5.639 -4.716 276 H CYS 37 H CYS 37 13.371 9.471 -5.298 277 HA CYS 37 HA CYS 37 14.186 9.091 -7.978 278 HB2 CYS 37 HB2 CYS 37 13.659 7.256 -6.370 279 HB3 CYS 37 HB3 CYS 37 11.954 7.674 -6.508 280 HG CYS 37 HG CYS 37 13.637 6.299 -8.711 281 H GLY 38 H GLY 38 13.187 9.460 -9.891 282 HA2 GLY 38 HA2 GLY 38 10.938 11.278 -9.880 283 HA3 GLY 38 HA3 GLY 38 11.835 10.733 -11.289 284 H HIS 39 H HIS 39 11.561 8.001 -11.110 285 HA HIS 39 HA HIS 39 9.117 7.524 -12.324 286 HB2 HIS 39 HB2 HIS 39 11.180 5.777 -11.052 287 HB3 HIS 39 HB3 HIS 39 9.634 5.062 -11.499 288 HD1 HIS 39 HD1 HIS 39 9.279 6.745 -14.157 289 HD2 HIS 39 HD2 HIS 39 12.660 4.595 -13.056 290 HE1 HIS 39 HE1 HIS 39 10.481 6.237 -16.306 291 HE2 HIS 39 HE2 HIS 39 12.571 5.015 -15.607 292 H CYS 40 H CYS 40 9.954 7.569 -8.944 293 HA CYS 40 HA CYS 40 7.622 6.229 -8.002 294 HB2 CYS 40 HB2 CYS 40 9.620 8.040 -6.644 295 HB3 CYS 40 HB3 CYS 40 8.284 7.273 -5.793 296 HG CYS 40 HG CYS 40 9.379 4.974 -6.200 297 H LYS 41 H LYS 41 8.435 9.540 -8.771 298 HA LYS 41 HA LYS 41 6.358 10.867 -7.455 299 HB2 LYS 41 HB2 LYS 41 7.708 11.547 -10.074 300 HB3 LYS 41 HB3 LYS 41 6.679 12.644 -9.163 301 HG2 LYS 41 HG2 LYS 41 9.219 11.432 -8.099 302 HG3 LYS 41 HG3 LYS 41 9.107 13.028 -8.843 303 HD2 LYS 41 HD2 LYS 41 7.657 13.811 -7.116 304 HD3 LYS 41 HD3 LYS 41 7.476 12.186 -6.453 305 HE2 LYS 41 HE2 LYS 41 9.872 12.170 -5.896 306 HE3 LYS 41 HE3 LYS 41 10.016 13.813 -6.517 307 HZ1 LYS 41 HZ1 LYS 41 7.968 13.375 -4.499 308 HZ2 LYS 41 HZ2 LYS 41 9.024 14.680 -4.704 309 HZ3 LYS 41 HZ3 LYS 41 9.570 13.259 -3.966 310 H ALA 42 H ALA 42 6.470 9.386 -10.671 311 HA ALA 42 HA ALA 42 3.885 10.176 -11.486 312 HB1 ALA 42 HB1 ALA 42 4.106 8.519 -13.232 313 HB2 ALA 42 HB2 ALA 42 5.437 7.747 -12.371 314 HB3 ALA 42 HB3 ALA 42 5.637 9.371 -13.028 315 H LEU 43 H LEU 43 5.084 7.374 -9.725 316 HA LEU 43 HA LEU 43 2.541 6.033 -9.696 317 HB2 LEU 43 HB2 LEU 43 5.000 5.097 -9.467 318 HB3 LEU 43 HB3 LEU 43 4.725 5.395 -7.763 319 HG LEU 43 HG LEU 43 4.271 3.048 -8.544 320 HD11 LEU 43 HD11 LEU 43 3.082 4.512 -6.603 321 HD12 LEU 43 HD12 LEU 43 2.817 2.787 -6.857 322 HD13 LEU 43 HD13 LEU 43 1.679 3.961 -7.518 323 HD21 LEU 43 HD21 LEU 43 3.128 3.947 -10.680 324 HD22 LEU 43 HD22 LEU 43 1.698 4.095 -9.658 325 HD23 LEU 43 HD23 LEU 43 2.457 2.520 -9.889 326 H ALA 44 H ALA 44 3.880 8.601 -7.955 327 HA ALA 44 HA ALA 44 2.885 8.185 -5.373 328 HB1 ALA 44 HB1 ALA 44 2.851 10.968 -6.269 329 HB2 ALA 44 HB2 ALA 44 4.365 10.124 -6.590 330 HB3 ALA 44 HB3 ALA 44 3.735 10.209 -4.946 331 HA PRO 45 HA PRO 45 -1.047 10.706 -6.671 332 HB2 PRO 45 HB2 PRO 45 -1.547 10.891 -9.350 333 HB3 PRO 45 HB3 PRO 45 -0.674 12.120 -8.428 334 HG2 PRO 45 HG2 PRO 45 0.400 9.928 -10.159 335 HG3 PRO 45 HG3 PRO 45 0.923 11.619 -10.038 336 HD2 PRO 45 HD2 PRO 45 2.257 9.616 -8.827 337 HD3 PRO 45 HD3 PRO 45 2.139 11.235 -8.111 338 H LYS 46 H LYS 46 -0.056 8.021 -8.745 339 HA LYS 46 HA LYS 46 -2.665 7.010 -9.208 340 HB2 LYS 46 HB2 LYS 46 -0.071 5.462 -9.230 341 HB3 LYS 46 HB3 LYS 46 -1.568 5.026 -10.042 342 HG2 LYS 46 HG2 LYS 46 0.025 7.498 -10.675 343 HG3 LYS 46 HG3 LYS 46 0.189 5.965 -11.534 344 HD2 LYS 46 HD2 LYS 46 -2.572 6.920 -11.285 345 HD3 LYS 46 HD3 LYS 46 -1.520 7.979 -12.227 346 HE2 LYS 46 HE2 LYS 46 -1.003 6.265 -13.762 347 HE3 LYS 46 HE3 LYS 46 -1.662 5.016 -12.707 348 HZ1 LYS 46 HZ1 LYS 46 -3.862 6.241 -13.022 349 HZ2 LYS 46 HZ2 LYS 46 -3.286 5.322 -14.320 350 HZ3 LYS 46 HZ3 LYS 46 -3.116 7.005 -14.335 351 H TYR 47 H TYR 47 -0.086 5.832 -7.042 352 HA TYR 47 HA TYR 47 -1.693 3.923 -5.739 353 HB2 TYR 47 HB2 TYR 47 0.812 3.973 -5.738 354 HB3 TYR 47 HB3 TYR 47 0.737 5.323 -4.611 355 HD1 TYR 47 HD1 TYR 47 -0.388 1.794 -5.012 356 HD2 TYR 47 HD2 TYR 47 0.693 4.907 -2.323 357 HE1 TYR 47 HE1 TYR 47 -0.504 0.207 -3.138 358 HE2 TYR 47 HE2 TYR 47 0.582 3.329 -0.440 359 HH TYR 47 HH TYR 47 0.847 0.447 -0.439 360 H GLU 48 H GLU 48 -1.237 7.337 -5.247 361 HA GLU 48 HA GLU 48 -2.311 7.447 -2.613 362 HB2 GLU 48 HB2 GLU 48 -0.854 9.210 -3.495 363 HB3 GLU 48 HB3 GLU 48 -2.063 9.614 -4.706 364 HG2 GLU 48 HG2 GLU 48 -3.064 9.665 -1.961 365 HG3 GLU 48 HG3 GLU 48 -1.783 10.830 -2.288 366 H GLU 49 H GLU 49 -3.676 7.741 -5.848 367 HA GLU 49 HA GLU 49 -6.221 8.676 -5.058 368 HB2 GLU 49 HB2 GLU 49 -4.930 8.076 -7.474 369 HB3 GLU 49 HB3 GLU 49 -6.335 7.021 -7.429 370 HG2 GLU 49 HG2 GLU 49 -6.305 10.020 -7.215 371 HG3 GLU 49 HG3 GLU 49 -6.919 9.047 -8.551 372 H LEU 50 H LEU 50 -5.327 5.407 -6.185 373 HA LEU 50 HA LEU 50 -7.685 4.135 -5.446 374 HB2 LEU 50 HB2 LEU 50 -6.006 3.125 -6.907 375 HB3 LEU 50 HB3 LEU 50 -4.890 3.000 -5.562 376 HG LEU 50 HG LEU 50 -6.120 0.879 -6.275 377 HD11 LEU 50 HD11 LEU 50 -6.727 1.213 -3.428 378 HD12 LEU 50 HD12 LEU 50 -5.088 1.670 -3.893 379 HD13 LEU 50 HD13 LEU 50 -5.684 0.047 -4.243 380 HD21 LEU 50 HD21 LEU 50 -8.373 2.129 -4.713 381 HD22 LEU 50 HD22 LEU 50 -8.348 0.540 -5.479 382 HD23 LEU 50 HD23 LEU 50 -8.341 1.998 -6.471 383 H GLY 51 H GLY 51 -4.903 5.010 -3.527 384 HA2 GLY 51 HA2 GLY 51 -5.249 3.356 -1.313 385 HA3 GLY 51 HA3 GLY 51 -4.556 4.970 -1.262 386 H ALA 52 H ALA 52 -6.292 6.756 -1.476 387 HA ALA 52 HA ALA 52 -7.998 6.553 0.767 388 HB1 ALA 52 HB1 ALA 52 -8.832 8.761 0.071 389 HB2 ALA 52 HB2 ALA 52 -7.953 8.598 -1.449 390 HB3 ALA 52 HB3 ALA 52 -7.070 8.682 0.075 391 H LEU 53 H LEU 53 -8.419 5.800 -2.579 392 HA LEU 53 HA LEU 53 -11.111 6.113 -3.013 393 HB2 LEU 53 HB2 LEU 53 -9.067 4.182 -3.976 394 HB3 LEU 53 HB3 LEU 53 -10.744 3.811 -4.316 395 HG LEU 53 HG LEU 53 -9.150 6.184 -5.258 396 HD11 LEU 53 HD11 LEU 53 -10.499 5.041 -7.370 397 HD12 LEU 53 HD12 LEU 53 -10.016 3.654 -6.393 398 HD13 LEU 53 HD13 LEU 53 -8.800 4.797 -6.964 399 HD21 LEU 53 HD21 LEU 53 -11.463 6.584 -6.478 400 HD22 LEU 53 HD22 LEU 53 -11.097 7.300 -4.908 401 HD23 LEU 53 HD23 LEU 53 -12.083 5.840 -5.004 402 H TYR 54 H TYR 54 -9.710 2.961 -2.089 403 HA TYR 54 HA TYR 54 -12.281 2.104 -1.060 404 HB2 TYR 54 HB2 TYR 54 -9.623 0.661 -1.115 405 HB3 TYR 54 HB3 TYR 54 -11.169 -0.058 -0.683 406 HD1 TYR 54 HD2 TYR 54 -12.487 1.768 -3.031 407 HD2 TYR 54 HD1 TYR 54 -9.419 -1.170 -2.793 408 HE1 TYR 54 HE2 TYR 54 -12.871 1.184 -5.389 409 HE2 TYR 54 HE1 TYR 54 -9.795 -1.762 -5.148 410 HH TYR 54 HH TYR 54 -12.464 -0.980 -6.839 411 H ALA 55 H ALA 55 -9.227 3.198 0.203 412 HA ALA 55 HA ALA 55 -9.223 2.246 2.765 413 HB1 ALA 55 HB1 ALA 55 -8.086 4.381 3.398 414 HB2 ALA 55 HB2 ALA 55 -8.443 4.980 1.779 415 HB3 ALA 55 HB3 ALA 55 -7.403 3.572 1.988 416 H LYS 56 H LYS 56 -11.398 4.608 1.394 417 HA LYS 56 HA LYS 56 -12.720 4.787 4.016 418 HB2 LYS 56 HB2 LYS 56 -11.501 6.897 2.614 419 HB3 LYS 56 HB3 LYS 56 -13.233 7.140 2.444 420 HG2 LYS 56 HG2 LYS 56 -13.224 6.684 5.031 421 HG3 LYS 56 HG3 LYS 56 -11.539 7.187 4.886 422 HD2 LYS 56 HD2 LYS 56 -13.921 8.778 3.935 423 HD3 LYS 56 HD3 LYS 56 -13.040 9.064 5.437 424 HE2 LYS 56 HE2 LYS 56 -11.478 8.978 2.915 425 HE3 LYS 56 HE3 LYS 56 -12.500 10.387 3.194 426 HZ1 LYS 56 HZ1 LYS 56 -10.322 9.391 4.946 427 HZ2 LYS 56 HZ2 LYS 56 -11.383 10.636 5.374 428 HZ3 LYS 56 HZ3 LYS 56 -10.339 10.831 4.058 429 H SER 57 H SER 57 -13.111 4.524 0.537 430 HA SER 57 HA SER 57 -15.946 4.954 0.620 431 HB2 SER 57 HB2 SER 57 -14.299 3.759 -1.610 432 HB3 SER 57 HB3 SER 57 -15.930 4.416 -1.740 433 HG SER 57 HG SER 57 -15.062 6.453 -1.137 434 H GLU 58 H GLU 58 -14.053 2.007 -0.193 435 HA GLU 58 HA GLU 58 -16.482 0.442 0.230 436 HB2 GLU 58 HB2 GLU 58 -13.840 -0.166 -1.061 437 HB3 GLU 58 HB3 GLU 58 -15.006 -1.432 -0.700 438 HG2 GLU 58 HG2 GLU 58 -15.505 0.967 -2.448 439 HG3 GLU 58 HG3 GLU 58 -15.169 -0.670 -3.010 440 H PHE 59 H PHE 59 -13.051 0.046 1.124 441 HA PHE 59 HA PHE 59 -13.917 -1.582 3.402 442 HB2 PHE 59 HB2 PHE 59 -11.393 -1.408 1.808 443 HB3 PHE 59 HB3 PHE 59 -11.328 -2.023 3.455 444 HD1 PHE 59 HD1 PHE 59 -13.706 -2.460 0.613 445 HD2 PHE 59 HD2 PHE 59 -11.167 -4.307 3.486 446 HE1 PHE 59 HE1 PHE 59 -14.414 -4.674 -0.192 447 HE2 PHE 59 HE2 PHE 59 -11.870 -6.525 2.685 448 HZ PHE 59 HZ PHE 59 -13.494 -6.711 0.844 449 H LYS 60 H LYS 60 -14.280 1.176 3.593 450 HA LYS 60 HA LYS 60 -12.404 2.777 4.684 451 HB2 LYS 60 HB2 LYS 60 -14.237 3.758 6.079 452 HB3 LYS 60 HB3 LYS 60 -14.612 3.574 4.371 453 HG2 LYS 60 HG2 LYS 60 -15.949 1.635 4.807 454 HG3 LYS 60 HG3 LYS 60 -15.469 1.637 6.506 455 HD2 LYS 60 HD2 LYS 60 -16.917 3.283 7.045 456 HD3 LYS 60 HD3 LYS 60 -16.657 4.147 5.529 457 HE2 LYS 60 HE2 LYS 60 -18.931 3.361 5.608 458 HE3 LYS 60 HE3 LYS 60 -18.050 2.458 4.376 459 HZ1 LYS 60 HZ1 LYS 60 -17.702 0.736 6.192 460 HZ2 LYS 60 HZ2 LYS 60 -19.258 0.861 5.541 461 HZ3 LYS 60 HZ3 LYS 60 -18.916 1.545 7.050 462 H ASP 61 H ASP 61 -14.118 0.200 6.406 463 HA ASP 61 HA ASP 61 -12.192 0.522 8.614 464 HB2 ASP 61 HB2 ASP 61 -15.120 -0.043 8.611 465 HB3 ASP 61 HB3 ASP 61 -14.135 -0.798 9.861 466 H ARG 62 H ARG 62 -11.695 -1.036 6.273 467 HA ARG 62 HA ARG 62 -11.355 -3.640 7.552 468 HB2 ARG 62 HB2 ARG 62 -12.565 -3.283 4.808 469 HB3 ARG 62 HB3 ARG 62 -12.083 -4.823 5.506 470 HG2 ARG 62 HG2 ARG 62 -13.769 -4.706 7.162 471 HG3 ARG 62 HG3 ARG 62 -14.116 -3.017 6.785 472 HD2 ARG 62 HD2 ARG 62 -14.522 -4.164 4.370 473 HD3 ARG 62 HD3 ARG 62 -14.996 -5.484 5.439 474 HE ARG 62 HE ARG 62 -16.214 -3.108 6.313 475 HH11 ARG 62 HH11 ARG 62 -16.367 -5.386 3.673 476 HH12 ARG 62 HH12 ARG 62 -18.041 -5.089 3.349 477 HH21 ARG 62 HH21 ARG 62 -18.418 -2.718 5.890 478 HH22 ARG 62 HH22 ARG 62 -19.206 -3.575 4.607 479 H VAL 63 H VAL 63 -10.414 -1.368 5.040 480 HA VAL 63 HA VAL 63 -7.948 -2.932 4.646 481 HB VAL 63 HB VAL 63 -9.440 -2.634 2.627 482 HG11 VAL 63 HG11 VAL 63 -9.518 -0.534 1.501 483 HG12 VAL 63 HG12 VAL 63 -8.411 0.197 2.662 484 HG13 VAL 63 HG13 VAL 63 -10.038 -0.260 3.163 485 HG21 VAL 63 HG21 VAL 63 -7.023 -3.184 2.526 486 HG22 VAL 63 HG22 VAL 63 -6.674 -1.461 2.379 487 HG23 VAL 63 HG23 VAL 63 -7.598 -2.284 1.122 488 H VAL 64 H VAL 64 -5.977 -1.782 4.348 489 HA VAL 64 HA VAL 64 -5.940 1.022 5.172 490 HB VAL 64 HB VAL 64 -4.169 -1.028 6.506 491 HG11 VAL 64 HG11 VAL 64 -3.351 0.716 7.828 492 HG12 VAL 64 HG12 VAL 64 -4.678 1.792 7.392 493 HG13 VAL 64 HG13 VAL 64 -3.428 1.408 6.208 494 HG21 VAL 64 HG21 VAL 64 -6.366 -1.453 7.307 495 HG22 VAL 64 HG22 VAL 64 -6.708 0.269 7.472 496 HG23 VAL 64 HG23 VAL 64 -5.543 -0.505 8.546 497 H ILE 65 H ILE 65 -5.025 1.875 3.400 498 HA ILE 65 HA ILE 65 -2.646 0.555 2.276 499 HB ILE 65 HB ILE 65 -4.355 2.667 0.961 500 HG12 ILE 65 HG12 ILE 65 -4.391 -0.334 0.565 501 HG13 ILE 65 HG13 ILE 65 -5.644 0.603 1.372 502 HG21 ILE 65 HG21 ILE 65 -1.809 1.887 0.354 503 HG22 ILE 65 HG22 ILE 65 -2.955 2.598 -0.783 504 HG23 ILE 65 HG23 ILE 65 -2.775 0.846 -0.691 505 HD11 ILE 65 HD11 ILE 65 -4.839 1.027 -1.491 506 HD12 ILE 65 HD12 ILE 65 -6.243 1.688 -0.653 507 HD13 ILE 65 HD13 ILE 65 -6.147 -0.042 -0.983 508 H ALA 66 H ALA 66 -0.848 1.382 3.143 509 HA ALA 66 HA ALA 66 -0.648 4.316 3.355 510 HB1 ALA 66 HB1 ALA 66 0.029 2.193 5.270 511 HB2 ALA 66 HB2 ALA 66 -0.404 3.880 5.547 512 HB3 ALA 66 HB3 ALA 66 1.246 3.458 5.088 513 H LYS 67 H LYS 67 1.554 5.176 3.131 514 HA LYS 67 HA LYS 67 3.254 3.498 1.411 515 HB2 LYS 67 HB2 LYS 67 3.816 5.601 0.150 516 HB3 LYS 67 HB3 LYS 67 2.170 5.024 -0.068 517 HG2 LYS 67 HG2 LYS 67 1.585 6.678 1.827 518 HG3 LYS 67 HG3 LYS 67 3.147 7.407 1.447 519 HD2 LYS 67 HD2 LYS 67 2.120 7.173 -1.032 520 HD3 LYS 67 HD3 LYS 67 0.634 7.378 -0.103 521 HE2 LYS 67 HE2 LYS 67 1.059 9.571 -0.326 522 HE3 LYS 67 HE3 LYS 67 2.207 9.305 0.985 523 HZ1 LYS 67 HZ1 LYS 67 2.695 9.799 -1.838 524 HZ2 LYS 67 HZ2 LYS 67 3.713 8.667 -1.101 525 HZ3 LYS 67 HZ3 LYS 67 3.613 10.240 -0.486 526 H VAL 68 H VAL 68 5.280 3.323 2.085 527 HA VAL 68 HA VAL 68 6.275 5.285 4.044 528 HB VAL 68 HB VAL 68 6.032 3.012 4.953 529 HG11 VAL 68 HG11 VAL 68 6.296 1.593 3.103 530 HG12 VAL 68 HG12 VAL 68 7.707 1.287 4.116 531 HG13 VAL 68 HG13 VAL 68 7.857 2.296 2.678 532 HG21 VAL 68 HG21 VAL 68 8.971 3.543 4.671 533 HG22 VAL 68 HG22 VAL 68 8.079 2.948 6.072 534 HG23 VAL 68 HG23 VAL 68 7.924 4.634 5.578 535 H ASP 69 H ASP 69 8.618 5.677 4.014 536 HA ASP 69 HA ASP 69 9.653 5.615 1.259 537 HB2 ASP 69 HB2 ASP 69 11.207 7.457 2.647 538 HB3 ASP 69 HB3 ASP 69 9.901 7.826 1.529 539 H ALA 70 H ALA 70 11.828 5.120 0.889 540 HA ALA 70 HA ALA 70 12.925 3.220 2.765 541 HB1 ALA 70 HB1 ALA 70 13.524 4.018 -0.040 542 HB2 ALA 70 HB2 ALA 70 13.164 2.425 0.627 543 HB3 ALA 70 HB3 ALA 70 14.749 3.153 0.888 544 H THR 71 H THR 71 13.065 6.470 2.694 545 HA THR 71 HA THR 71 15.809 7.057 2.892 546 HB THR 71 HB THR 71 15.130 9.191 3.781 547 HG1 THR 71 HG1 THR 71 12.972 9.530 4.422 548 HG21 THR 71 HG21 THR 71 12.870 9.388 2.240 549 HG22 THR 71 HG22 THR 71 13.758 8.061 1.490 550 HG23 THR 71 HG23 THR 71 14.528 9.635 1.693 551 H ALA 72 H ALA 72 13.387 6.750 5.529 552 HA ALA 72 HA ALA 72 15.300 5.421 7.203 553 HB1 ALA 72 HB1 ALA 72 15.958 7.847 7.340 554 HB2 ALA 72 HB2 ALA 72 15.600 7.065 8.879 555 HB3 ALA 72 HB3 ALA 72 14.413 8.138 8.138 556 H ASN 73 H ASN 73 14.038 3.884 7.988 557 HA ASN 73 HA ASN 73 12.089 4.294 9.900 558 HB2 ASN 73 HB2 ASN 73 10.140 3.325 8.334 559 HB3 ASN 73 HB3 ASN 73 10.386 5.050 8.582 560 HD21 ASN 73 HD21 ASN 73 10.169 6.131 6.785 561 HD22 ASN 73 HD22 ASN 73 10.685 5.628 5.215 562 H ASP 74 H ASP 74 10.497 2.150 9.842 563 HA ASP 74 HA ASP 74 12.145 0.022 10.501 564 HB2 ASP 74 HB2 ASP 74 9.259 0.403 10.063 565 HB3 ASP 74 HB3 ASP 74 9.819 -1.250 9.833 566 H VAL 75 H VAL 75 9.852 -0.328 7.821 567 HA VAL 75 HA VAL 75 9.985 -1.629 5.939 568 HB VAL 75 HB VAL 75 10.868 0.475 5.128 569 HG11 VAL 75 HG11 VAL 75 13.509 -0.558 6.130 570 HG12 VAL 75 HG12 VAL 75 12.672 0.925 6.588 571 HG13 VAL 75 HG13 VAL 75 13.367 0.767 4.975 572 HG21 VAL 75 HG21 VAL 75 11.667 -0.308 3.133 573 HG22 VAL 75 HG22 VAL 75 11.008 -1.800 3.804 574 HG23 VAL 75 HG23 VAL 75 12.740 -1.481 3.895 575 HA PRO 76 HA PRO 76 13.149 -4.562 7.920 576 HB2 PRO 76 HB2 PRO 76 11.318 -6.616 8.129 577 HB3 PRO 76 HB3 PRO 76 11.716 -5.492 9.431 578 HG2 PRO 76 HG2 PRO 76 9.408 -5.452 7.532 579 HG3 PRO 76 HG3 PRO 76 9.439 -5.090 9.268 580 HD2 PRO 76 HD2 PRO 76 9.358 -3.138 7.432 581 HD3 PRO 76 HD3 PRO 76 10.287 -2.958 8.935 582 H ASP 77 H ASP 77 10.752 -4.747 5.378 583 HA ASP 77 HA ASP 77 11.842 -7.071 4.117 584 HB2 ASP 77 HB2 ASP 77 10.017 -4.935 2.992 585 HB3 ASP 77 HB3 ASP 77 10.343 -6.500 2.253 586 H GLU 78 H GLU 78 13.164 -7.223 2.327 587 HA GLU 78 HA GLU 78 14.966 -4.995 1.922 588 HB2 GLU 78 HB2 GLU 78 16.265 -6.571 0.563 589 HB3 GLU 78 HB3 GLU 78 15.876 -7.253 2.137 590 HG2 GLU 78 HG2 GLU 78 13.991 -7.848 -0.053 591 HG3 GLU 78 HG3 GLU 78 15.589 -8.585 -0.161 592 H ILE 79 H ILE 79 15.508 -4.151 -0.182 593 HA ILE 79 HA ILE 79 13.490 -4.561 -2.269 594 HB ILE 79 HB ILE 79 14.369 -1.770 -1.613 595 HG12 ILE 79 HG12 ILE 79 13.298 -2.751 0.423 596 HG13 ILE 79 HG13 ILE 79 12.404 -1.400 -0.272 597 HG21 ILE 79 HG21 ILE 79 13.360 -1.617 -3.622 598 HG22 ILE 79 HG22 ILE 79 11.905 -1.554 -2.628 599 HG23 ILE 79 HG23 ILE 79 12.398 -3.074 -3.376 600 HD11 ILE 79 HD11 ILE 79 10.596 -2.656 -0.357 601 HD12 ILE 79 HD12 ILE 79 11.499 -4.020 0.303 602 HD13 ILE 79 HD13 ILE 79 11.417 -3.778 -1.443 603 H GLN 80 H GLN 80 14.198 -4.214 -4.357 604 HA GLN 80 HA GLN 80 17.046 -4.278 -4.782 605 HB2 GLN 80 HB2 GLN 80 14.635 -4.303 -6.594 606 HB3 GLN 80 HB3 GLN 80 16.263 -4.163 -7.246 607 HG2 GLN 80 HG2 GLN 80 16.781 -6.316 -6.795 608 HG3 GLN 80 HG3 GLN 80 15.786 -6.366 -5.340 609 HE21 GLN 80 HE22 GLN 80 13.446 -6.449 -5.662 610 HE22 GLN 80 HE32 GLN 80 12.826 -7.309 -7.026 611 H GLY 81 H GLY 81 14.378 -2.085 -5.278 612 HA2 GLY 81 HA2 GLY 81 16.244 0.183 -5.443 613 HA3 GLY 81 HA3 GLY 81 14.929 0.041 -6.613 614 H PHE 82 H PHE 82 12.786 0.270 -5.925 615 HA PHE 82 HA PHE 82 12.034 0.577 -3.246 616 HB2 PHE 82 HB2 PHE 82 11.597 3.135 -4.676 617 HB3 PHE 82 HB3 PHE 82 11.554 2.747 -2.945 618 HD1 PHE 82 HD2 PHE 82 13.729 3.560 -5.788 619 HD2 PHE 82 HD1 PHE 82 13.556 2.800 -1.607 620 HE1 PHE 82 HE2 PHE 82 16.015 4.435 -5.539 621 HE2 PHE 82 HE1 PHE 82 15.840 3.677 -1.347 622 HZ PHE 82 HZ PHE 82 17.074 4.493 -3.316 623 HA PRO 83 HA PRO 83 8.367 2.049 -6.056 624 HB2 PRO 83 HB2 PRO 83 8.959 0.874 -8.503 625 HB3 PRO 83 HB3 PRO 83 8.793 2.582 -8.123 626 HG2 PRO 83 HG2 PRO 83 11.253 0.943 -8.386 627 HG3 PRO 83 HG3 PRO 83 10.994 2.655 -8.782 628 HD2 PRO 83 HD2 PRO 83 12.303 1.967 -6.577 629 HD3 PRO 83 HD3 PRO 83 11.139 3.312 -6.549 630 H THR 84 H THR 84 8.286 0.442 -4.446 631 HA THR 84 HA THR 84 7.781 -2.275 -5.418 632 HB THR 84 HB THR 84 8.092 -2.688 -2.831 633 HG1 THR 84 HG1 THR 84 9.619 -1.232 -1.984 634 HG21 THR 84 HG21 THR 84 9.613 -3.351 -4.801 635 HG22 THR 84 HG22 THR 84 10.269 -3.336 -3.164 636 HG23 THR 84 HG23 THR 84 10.599 -1.990 -4.258 637 H ILE 85 H ILE 85 5.996 -3.394 -4.713 638 HA ILE 85 HA ILE 85 3.977 -1.951 -3.157 639 HB ILE 85 HB ILE 85 3.140 -3.405 -5.646 640 HG12 ILE 85 HG12 ILE 85 4.782 -1.623 -6.277 641 HG13 ILE 85 HG13 ILE 85 3.162 -1.346 -6.909 642 HG21 ILE 85 HG21 ILE 85 1.533 -2.799 -3.805 643 HG22 ILE 85 HG22 ILE 85 1.118 -2.197 -5.409 644 HG23 ILE 85 HG23 ILE 85 1.826 -1.109 -4.215 645 HD11 ILE 85 HD11 ILE 85 3.076 0.631 -5.929 646 HD12 ILE 85 HD12 ILE 85 4.751 0.409 -5.424 647 HD13 ILE 85 HD13 ILE 85 3.435 -0.082 -4.357 648 H LYS 86 H LYS 86 3.743 -3.278 -1.464 649 HA LYS 86 HA LYS 86 3.523 -6.168 -1.981 650 HB2 LYS 86 HB2 LYS 86 4.395 -4.704 0.514 651 HB3 LYS 86 HB3 LYS 86 4.149 -6.443 0.422 652 HG2 LYS 86 HG2 LYS 86 5.843 -6.207 -1.597 653 HG3 LYS 86 HG3 LYS 86 6.327 -4.771 -0.692 654 HD2 LYS 86 HD2 LYS 86 5.986 -7.254 0.872 655 HD3 LYS 86 HD3 LYS 86 7.348 -7.217 -0.248 656 HE2 LYS 86 HE2 LYS 86 8.313 -6.340 1.643 657 HE3 LYS 86 HE3 LYS 86 7.781 -4.872 0.824 658 HZ1 LYS 86 HZ1 LYS 86 6.099 -6.233 2.842 659 HZ2 LYS 86 HZ2 LYS 86 5.970 -4.648 2.266 660 HZ3 LYS 86 HZ3 LYS 86 7.256 -5.077 3.277 661 H LEU 87 H LEU 87 1.881 -7.351 -1.022 662 HA LEU 87 HA LEU 87 -0.235 -5.807 0.311 663 HB2 LEU 87 HB2 LEU 87 -0.743 -6.277 -2.107 664 HB3 LEU 87 HB3 LEU 87 -0.719 -7.986 -1.719 665 HG LEU 87 HG LEU 87 -3.002 -7.011 -1.867 666 HD11 LEU 87 HD11 LEU 87 -3.848 -8.339 -0.203 667 HD12 LEU 87 HD12 LEU 87 -2.614 -7.858 0.961 668 HD13 LEU 87 HD13 LEU 87 -2.210 -8.979 -0.340 669 HD21 LEU 87 HD21 LEU 87 -1.866 -5.012 -0.214 670 HD22 LEU 87 HD22 LEU 87 -3.142 -5.810 0.705 671 HD23 LEU 87 HD23 LEU 87 -3.500 -5.099 -0.868 672 H TYR 88 H TYR 88 -0.711 -6.603 2.229 673 HA TYR 88 HA TYR 88 0.074 -9.347 2.877 674 HB2 TYR 88 HB2 TYR 88 0.079 -6.854 4.307 675 HB3 TYR 88 HB3 TYR 88 -0.899 -8.026 5.182 676 HD1 TYR 88 HD1 TYR 88 2.360 -8.005 3.336 677 HD2 TYR 88 HD2 TYR 88 0.214 -9.210 6.807 678 HE1 TYR 88 HE1 TYR 88 4.407 -9.025 4.240 679 HE2 TYR 88 HE2 TYR 88 2.255 -10.232 7.721 680 HH TYR 88 HH TYR 88 4.749 -9.939 7.435 681 HA PRO 89 HA PRO 89 -4.337 -10.241 2.361 682 HB2 PRO 89 HB2 PRO 89 -4.085 -12.937 2.690 683 HB3 PRO 89 HB3 PRO 89 -3.768 -12.108 1.162 684 HG2 PRO 89 HG2 PRO 89 -1.836 -13.037 3.251 685 HG3 PRO 89 HG3 PRO 89 -1.717 -13.152 1.485 686 HD2 PRO 89 HD2 PRO 89 -0.406 -11.261 2.892 687 HD3 PRO 89 HD3 PRO 89 -1.037 -10.957 1.261 688 H ALA 90 H ALA 90 -5.768 -10.005 3.944 689 HA ALA 90 HA ALA 90 -5.157 -10.165 6.671 690 HB1 ALA 90 HB1 ALA 90 -6.965 -8.827 6.367 691 HB2 ALA 90 HB2 ALA 90 -7.817 -10.321 6.760 692 HB3 ALA 90 HB3 ALA 90 -7.630 -9.829 5.077 693 H GLY 91 H GLY 91 -4.738 -11.914 7.836 694 HA2 GLY 91 HA2 GLY 91 -5.584 -13.907 8.896 695 HA3 GLY 91 HA3 GLY 91 -6.370 -14.325 7.381 696 H ALA 92 H ALA 92 -3.873 -13.517 5.906 697 HA ALA 92 HA ALA 92 -2.359 -15.985 6.443 698 HB1 ALA 92 HB1 ALA 92 -3.024 -14.533 3.918 699 HB2 ALA 92 HB2 ALA 92 -3.168 -16.249 4.298 700 HB3 ALA 92 HB3 ALA 92 -1.580 -15.543 3.997 701 H LYS 93 H LYS 93 -1.086 -14.885 8.051 702 HA LYS 93 HA LYS 93 0.534 -12.634 7.302 703 HB2 LYS 93 HB2 LYS 93 1.543 -12.882 9.516 704 HB3 LYS 93 HB3 LYS 93 -0.212 -12.928 9.616 705 HG2 LYS 93 HG2 LYS 93 0.080 -15.492 9.541 706 HG3 LYS 93 HG3 LYS 93 1.755 -15.150 9.975 707 HD2 LYS 93 HD2 LYS 93 0.120 -13.589 11.673 708 HD3 LYS 93 HD3 LYS 93 -0.560 -15.217 11.650 709 HE2 LYS 93 HE2 LYS 93 1.991 -15.880 11.930 710 HE3 LYS 93 HE3 LYS 93 2.078 -14.265 12.633 711 HZ1 LYS 93 HZ1 LYS 93 1.593 -15.578 14.443 712 HZ2 LYS 93 HZ2 LYS 93 0.579 -16.617 13.575 713 HZ3 LYS 93 HZ3 LYS 93 0.046 -15.065 13.985 714 H GLY 94 H GLY 94 1.180 -14.148 5.344 715 HA2 GLY 94 HA2 GLY 94 3.918 -14.550 5.459 716 HA3 GLY 94 HA3 GLY 94 3.185 -16.109 5.804 717 H GLN 95 H GLN 95 1.934 -13.638 3.615 718 HA GLN 95 HA GLN 95 2.826 -15.102 1.280 719 HB2 GLN 95 HB2 GLN 95 -0.069 -14.940 2.094 720 HB3 GLN 95 HB3 GLN 95 0.409 -15.171 0.418 721 HG2 GLN 95 HG2 GLN 95 1.185 -16.984 2.691 722 HG3 GLN 95 HG3 GLN 95 -0.153 -17.270 1.579 723 HE21 GLN 95 HE22 GLN 95 3.089 -17.800 2.175 724 HE22 GLN 95 HE32 GLN 95 3.556 -18.371 0.613 725 HA PRO 96 HA PRO 96 2.032 -10.459 0.847 726 HB2 PRO 96 HB2 PRO 96 4.556 -9.534 0.971 727 HB3 PRO 96 HB3 PRO 96 3.584 -9.794 2.424 728 HG2 PRO 96 HG2 PRO 96 5.711 -11.531 1.232 729 HG3 PRO 96 HG3 PRO 96 5.434 -11.110 2.932 730 HD2 PRO 96 HD2 PRO 96 4.634 -13.471 1.816 731 HD3 PRO 96 HD3 PRO 96 3.810 -12.709 3.192 732 H VAL 97 H VAL 97 1.730 -9.954 -1.228 733 HA VAL 97 HA VAL 97 3.221 -11.274 -3.309 734 HB VAL 97 HB VAL 97 1.804 -10.014 -4.870 735 HG11 VAL 97 HG11 VAL 97 0.005 -11.352 -4.547 736 HG12 VAL 97 HG12 VAL 97 -0.161 -10.906 -2.849 737 HG13 VAL 97 HG13 VAL 97 1.063 -12.078 -3.337 738 HG21 VAL 97 HG21 VAL 97 1.245 -7.956 -4.140 739 HG22 VAL 97 HG22 VAL 97 1.253 -8.442 -2.446 740 HG23 VAL 97 HG23 VAL 97 -0.148 -8.791 -3.454 741 H THR 98 H THR 98 4.449 -10.229 -4.952 742 HA THR 98 HA THR 98 5.485 -7.575 -4.215 743 HB THR 98 HB THR 98 7.363 -9.480 -5.496 744 HG1 THR 98 HG1 THR 98 6.755 -9.644 -2.734 745 HG21 THR 98 HG21 THR 98 8.730 -7.834 -4.937 746 HG22 THR 98 HG22 THR 98 8.526 -8.335 -3.258 747 HG23 THR 98 HG23 THR 98 7.502 -7.066 -3.930 748 H TYR 99 H TYR 99 5.010 -6.198 -5.780 749 HA TYR 99 HA TYR 99 4.373 -7.063 -8.437 750 HB2 TYR 99 HB2 TYR 99 4.095 -4.649 -6.863 751 HB3 TYR 99 HB3 TYR 99 4.693 -4.277 -8.477 752 HD1 TYR 99 HD1 TYR 99 3.384 -5.732 -10.375 753 HD2 TYR 99 HD2 TYR 99 1.815 -4.551 -6.601 754 HE1 TYR 99 HE1 TYR 99 1.102 -5.929 -11.269 755 HE2 TYR 99 HE2 TYR 99 -0.472 -4.746 -7.484 756 HH TYR 99 HH TYR 99 -1.170 -6.255 -10.460 757 H SER 100 H SER 100 5.563 -6.917 -10.276 758 HA SER 100 HA SER 100 8.412 -6.363 -9.933 759 HB2 SER 100 HB2 SER 100 7.186 -7.473 -12.442 760 HB3 SER 100 HB3 SER 100 8.808 -7.722 -11.796 761 HG SER 100 HG SER 100 8.055 -9.425 -10.849 762 H GLY 101 H GLY 101 6.231 -4.281 -10.243 763 HA2 GLY 101 HA2 GLY 101 7.146 -2.113 -11.162 764 HA3 GLY 101 HA3 GLY 101 7.266 -2.981 -12.685 765 H SER 102 H SER 102 5.374 -0.944 -10.848 766 HA SER 102 HA SER 102 2.771 -1.779 -11.590 767 HB2 SER 102 HB2 SER 102 2.315 0.780 -11.125 768 HB3 SER 102 HB3 SER 102 2.715 -0.314 -9.801 769 HG SER 102 HG SER 102 4.136 1.257 -9.486 770 H ARG 103 H ARG 103 1.740 -1.617 -13.467 771 HA ARG 103 HA ARG 103 2.928 0.060 -15.568 772 HB2 ARG 103 HB2 ARG 103 2.563 -2.494 -15.829 773 HB3 ARG 103 HB3 ARG 103 0.869 -2.075 -16.046 774 HG2 ARG 103 HG2 ARG 103 1.413 -0.709 -17.963 775 HG3 ARG 103 HG3 ARG 103 3.135 -1.006 -17.716 776 HD2 ARG 103 HD2 ARG 103 2.899 -3.309 -18.248 777 HD3 ARG 103 HD3 ARG 103 1.140 -3.208 -18.194 778 HE ARG 103 HE ARG 103 1.154 -2.425 -20.344 779 HH11 ARG 103 HH11 ARG 103 4.380 -2.182 -19.036 780 HH12 ARG 103 HH12 ARG 103 5.095 -1.742 -20.550 781 HH21 ARG 103 HH21 ARG 103 2.093 -1.846 -22.337 782 HH22 ARG 103 HH22 ARG 103 3.797 -1.550 -22.424 783 H THR 104 H THR 104 -0.133 -0.766 -14.007 784 HA THR 104 HA THR 104 -1.183 1.845 -14.727 785 HB THR 104 HB THR 104 -2.001 0.668 -16.604 786 HG1 THR 104 HG1 THR 104 -3.670 1.802 -15.678 787 HG21 THR 104 HG21 THR 104 -3.185 -1.448 -16.507 788 HG22 THR 104 HG22 THR 104 -2.892 -1.544 -14.771 789 HG23 THR 104 HG23 THR 104 -1.538 -1.614 -15.899 790 H VAL 105 H VAL 105 -3.439 2.120 -13.710 791 HA VAL 105 HA VAL 105 -3.204 1.389 -10.933 792 HB VAL 105 HB VAL 105 -5.482 2.870 -12.247 793 HG11 VAL 105 HG11 VAL 105 -4.646 3.508 -9.505 794 HG12 VAL 105 HG12 VAL 105 -5.319 1.892 -9.721 795 HG13 VAL 105 HG13 VAL 105 -6.261 3.309 -10.185 796 HG21 VAL 105 HG21 VAL 105 -2.889 3.943 -11.140 797 HG22 VAL 105 HG22 VAL 105 -4.286 4.931 -11.567 798 HG23 VAL 105 HG23 VAL 105 -3.439 4.017 -12.814 799 H GLU 106 H GLU 106 -5.285 0.561 -13.648 800 HA GLU 106 HA GLU 106 -7.296 -0.804 -12.277 801 HB2 GLU 106 HB2 GLU 106 -7.760 -1.927 -14.397 802 HB3 GLU 106 HB3 GLU 106 -7.450 -0.216 -14.652 803 HG2 GLU 106 HG2 GLU 106 -5.414 -0.599 -15.667 804 HG3 GLU 106 HG3 GLU 106 -5.232 -2.192 -14.934 805 H ASP 107 H ASP 107 -4.054 -1.769 -13.123 806 HA ASP 107 HA ASP 107 -4.475 -4.562 -12.587 807 HB2 ASP 107 HB2 ASP 107 -2.175 -2.842 -13.351 808 HB3 ASP 107 HB3 ASP 107 -1.801 -4.344 -12.509 809 H LEU 108 H LEU 108 -3.109 -1.803 -10.853 810 HA LEU 108 HA LEU 108 -2.125 -3.228 -8.632 811 HB2 LEU 108 HB2 LEU 108 -2.920 -0.377 -9.097 812 HB3 LEU 108 HB3 LEU 108 -2.496 -0.919 -7.484 813 HG LEU 108 HG LEU 108 -0.664 -1.231 -9.858 814 HD11 LEU 108 HD11 LEU 108 0.561 0.701 -8.715 815 HD12 LEU 108 HD12 LEU 108 -0.974 1.029 -7.911 816 HD13 LEU 108 HD13 LEU 108 -0.870 1.088 -9.671 817 HD21 LEU 108 HD21 LEU 108 0.882 -2.044 -8.418 818 HD22 LEU 108 HD22 LEU 108 -0.557 -2.536 -7.525 819 HD23 LEU 108 HD23 LEU 108 0.304 -1.065 -7.070 820 H ILE 109 H ILE 109 -5.286 -1.864 -9.362 821 HA ILE 109 HA ILE 109 -6.384 -2.288 -6.763 822 HB ILE 109 HB ILE 109 -7.937 -2.057 -9.339 823 HG12 ILE 109 HG12 ILE 109 -7.460 0.338 -7.649 824 HG13 ILE 109 HG13 ILE 109 -6.108 -0.214 -8.631 825 HG21 ILE 109 HG21 ILE 109 -9.753 -2.006 -8.063 826 HG22 ILE 109 HG22 ILE 109 -9.059 -0.761 -7.024 827 HG23 ILE 109 HG23 ILE 109 -8.737 -2.465 -6.697 828 HD11 ILE 109 HD11 ILE 109 -8.283 -0.241 -10.354 829 HD12 ILE 109 HD12 ILE 109 -6.982 0.949 -10.297 830 HD13 ILE 109 HD13 ILE 109 -8.474 1.231 -9.401 831 H LYS 110 H LYS 110 -6.704 -4.016 -9.858 832 HA LYS 110 HA LYS 110 -8.367 -6.071 -8.926 833 HB2 LYS 110 HB2 LYS 110 -8.019 -5.604 -11.308 834 HB3 LYS 110 HB3 LYS 110 -6.349 -6.136 -11.176 835 HG2 LYS 110 HG2 LYS 110 -6.954 -8.371 -10.902 836 HG3 LYS 110 HG3 LYS 110 -8.618 -7.962 -10.480 837 HD2 LYS 110 HD2 LYS 110 -8.498 -8.876 -12.736 838 HD3 LYS 110 HD3 LYS 110 -9.004 -7.185 -12.773 839 HE2 LYS 110 HE2 LYS 110 -7.352 -7.701 -14.519 840 HE3 LYS 110 HE3 LYS 110 -6.761 -6.496 -13.375 841 HZ1 LYS 110 HZ1 LYS 110 -5.216 -7.912 -12.538 842 HZ2 LYS 110 HZ2 LYS 110 -5.304 -8.544 -14.104 843 HZ3 LYS 110 HZ3 LYS 110 -6.134 -9.301 -12.840 844 H PHE 111 H PHE 111 -4.994 -5.521 -8.480 845 HA PHE 111 HA PHE 111 -4.291 -8.249 -7.937 846 HB2 PHE 111 HB2 PHE 111 -2.830 -6.062 -8.563 847 HB3 PHE 111 HB3 PHE 111 -2.616 -6.080 -6.816 848 HD1 PHE 111 HD2 PHE 111 -2.885 -8.884 -9.249 849 HD2 PHE 111 HD1 PHE 111 -0.464 -6.814 -6.428 850 HE1 PHE 111 HE2 PHE 111 -1.145 -10.607 -9.485 851 HE2 PHE 111 HE1 PHE 111 1.282 -8.533 -6.659 852 HZ PHE 111 HZ PHE 111 0.942 -10.433 -8.188 853 H ILE 112 H ILE 112 -4.956 -5.377 -5.961 854 HA ILE 112 HA ILE 112 -4.449 -6.484 -3.452 855 HB ILE 112 HB ILE 112 -6.563 -4.424 -4.094 856 HG12 ILE 112 HG12 ILE 112 -3.902 -3.601 -3.092 857 HG13 ILE 112 HG13 ILE 112 -3.947 -4.186 -4.752 858 HG21 ILE 112 HG21 ILE 112 -5.334 -5.428 -1.589 859 HG22 ILE 112 HG22 ILE 112 -6.976 -4.866 -1.901 860 HG23 ILE 112 HG23 ILE 112 -5.668 -3.700 -1.702 861 HD11 ILE 112 HD11 ILE 112 -6.039 -2.492 -4.780 862 HD12 ILE 112 HD12 ILE 112 -4.390 -2.037 -5.208 863 HD13 ILE 112 HD13 ILE 112 -5.004 -1.708 -3.587 864 H ALA 113 H ALA 113 -7.344 -6.597 -5.461 865 HA ALA 113 HA ALA 113 -8.877 -7.970 -3.429 866 HB1 ALA 113 HB1 ALA 113 -9.461 -6.533 -5.809 867 HB2 ALA 113 HB2 ALA 113 -10.575 -7.130 -4.579 868 HB3 ALA 113 HB3 ALA 113 -10.153 -8.149 -5.955 869 H GLU 114 H GLU 114 -6.834 -8.814 -6.086 870 HA GLU 114 HA GLU 114 -7.886 -11.482 -6.387 871 HB2 GLU 114 HB2 GLU 114 -5.703 -9.885 -7.628 872 HB3 GLU 114 HB3 GLU 114 -5.566 -11.637 -7.694 873 HG2 GLU 114 HG2 GLU 114 -8.128 -10.372 -8.515 874 HG3 GLU 114 HG3 GLU 114 -6.745 -10.289 -9.606 875 H ASN 115 H ASN 115 -4.835 -10.093 -5.174 876 HA ASN 115 HA ASN 115 -4.029 -12.644 -4.078 877 HB2 ASN 115 HB2 ASN 115 -1.996 -11.498 -3.397 878 HB3 ASN 115 HB3 ASN 115 -2.372 -11.095 -5.069 879 HD21 ASN 115 HD21 ASN 115 -1.818 -9.080 -5.450 880 HD22 ASN 115 HD22 ASN 115 -2.103 -7.730 -4.412 881 H GLY 116 H GLY 116 -5.481 -9.678 -2.952 882 HA2 GLY 116 HA2 GLY 116 -4.978 -9.991 -0.191 883 HA3 GLY 116 HA3 GLY 116 -6.274 -9.036 -0.895 884 H LYS 117 H LYS 117 -5.931 -11.136 1.373 885 HA LYS 117 HA LYS 117 -7.687 -13.270 0.682 886 HB2 LYS 117 HB2 LYS 117 -6.038 -12.574 2.879 887 HB3 LYS 117 HB3 LYS 117 -7.663 -12.798 3.511 888 HG2 LYS 117 HG2 LYS 117 -6.543 -14.844 1.661 889 HG3 LYS 117 HG3 LYS 117 -5.997 -14.805 3.339 890 HD2 LYS 117 HD2 LYS 117 -8.679 -14.607 3.670 891 HD3 LYS 117 HD3 LYS 117 -8.598 -15.593 2.208 892 HE2 LYS 117 HE2 LYS 117 -6.878 -16.278 4.551 893 HE3 LYS 117 HE3 LYS 117 -8.584 -16.720 4.567 894 HZ1 LYS 117 HZ1 LYS 117 -7.019 -17.394 2.189 895 HZ2 LYS 117 HZ2 LYS 117 -8.306 -18.225 2.905 896 HZ3 LYS 117 HZ3 LYS 117 -6.761 -18.313 3.586 897 H TYR 118 H TYR 118 -8.101 -10.108 2.143 898 HA TYR 118 HA TYR 118 -10.872 -10.569 2.805 899 HB2 TYR 118 HB2 TYR 118 -8.867 -8.571 3.392 900 HB3 TYR 118 HB3 TYR 118 -10.368 -7.807 2.879 901 HD1 TYR 118 HD1 TYR 118 -9.749 -10.901 4.876 902 HD2 TYR 118 HD2 TYR 118 -11.404 -6.983 4.781 903 HE1 TYR 118 HE1 TYR 118 -10.685 -11.248 7.123 904 HE2 TYR 118 HE2 TYR 118 -12.344 -7.319 7.028 905 HH TYR 118 HH TYR 118 -11.415 -9.341 9.128 906 H LYS 119 H LYS 119 -9.181 -9.736 -0.002 907 HA LYS 119 HA LYS 119 -9.831 -9.084 -2.077 908 HB2 LYS 119 HB2 LYS 119 -12.377 -10.023 -0.852 909 HB3 LYS 119 HB3 LYS 119 -12.485 -9.104 -2.347 910 HG2 LYS 119 HG2 LYS 119 -10.944 -10.713 -3.408 911 HG3 LYS 119 HG3 LYS 119 -10.949 -11.657 -1.917 912 HD2 LYS 119 HD2 LYS 119 -13.613 -10.999 -2.962 913 HD3 LYS 119 HD3 LYS 119 -12.649 -12.042 -4.009 914 HE2 LYS 119 HE2 LYS 119 -12.769 -12.673 -1.104 915 HE3 LYS 119 HE3 LYS 119 -14.182 -13.031 -2.096 916 HZ1 LYS 119 HZ1 LYS 119 -11.570 -13.904 -3.080 917 HZ2 LYS 119 HZ2 LYS 119 -13.086 -14.636 -3.245 918 HZ3 LYS 119 HZ3 LYS 119 -12.243 -14.758 -1.784 919 H ALA 120 H ALA 120 -9.140 -7.032 -0.513 920 HA ALA 120 HA ALA 120 -11.076 -5.025 -0.124 921 HB1 ALA 120 HB1 ALA 120 -8.460 -5.320 0.554 922 HB2 ALA 120 HB2 ALA 120 -9.378 -3.823 0.717 923 HB3 ALA 120 HB3 ALA 120 -8.359 -4.082 -0.699 924 H ALA 121 H ALA 121 -12.319 -4.984 -2.049 925 HA ALA 121 HA ALA 121 -11.604 -2.980 -3.876 926 HB1 ALA 121 HB1 ALA 121 -10.158 -5.025 -4.587 927 HB2 ALA 121 HB2 ALA 121 -10.989 -4.070 -5.815 928 HB3 ALA 121 HB3 ALA 121 -11.666 -5.611 -5.288 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -11.879 22.233 10.266 2 H2 GLY 1 2H GLY 1 -12.423 23.796 10.617 3 H3 GLY 1 3H GLY 1 -11.686 22.867 11.823 4 HA2 GLY 1 HA3 GLY 1 -10.315 24.695 10.680 5 HA3 GLY 1 HA2 GLY 1 -9.581 23.126 10.972 6 HA PRO 2 HA PRO 2 -9.687 24.335 6.335 7 HB2 PRO 2 HB2 PRO 2 -7.165 25.286 6.028 8 HB3 PRO 2 HB3 PRO 2 -8.539 26.325 6.424 9 HG2 PRO 2 HG2 PRO 2 -6.447 25.181 8.235 10 HG3 PRO 2 HG3 PRO 2 -7.126 26.819 8.205 11 HD2 PRO 2 HD2 PRO 2 -7.926 24.943 9.986 12 HD3 PRO 2 HD3 PRO 2 -9.022 26.189 9.357 13 H LEU 3 H LEU 3 -9.533 22.381 5.425 14 HA LEU 3 HA LEU 3 -7.015 21.149 4.992 15 HB2 LEU 3 HB2 LEU 3 -8.546 20.303 7.312 16 HB3 LEU 3 HB3 LEU 3 -8.270 18.977 6.200 17 HG LEU 3 HG LEU 3 -6.080 20.726 7.316 18 HD11 LEU 3 HD11 LEU 3 -6.470 17.894 8.133 19 HD12 LEU 3 HD12 LEU 3 -7.469 19.137 8.886 20 HD13 LEU 3 HD13 LEU 3 -5.711 19.228 9.002 21 HD21 LEU 3 HD21 LEU 3 -5.618 19.652 5.138 22 HD22 LEU 3 HD22 LEU 3 -5.946 18.083 5.873 23 HD23 LEU 3 HD23 LEU 3 -4.585 19.053 6.435 24 H GLY 4 H GLY 4 -10.390 20.039 5.378 25 HA2 GLY 4 HA2 GLY 4 -11.873 19.185 3.843 26 HA3 GLY 4 HA3 GLY 4 -10.876 19.901 2.586 27 H SER 5 H SER 5 -9.076 18.690 1.772 28 HA SER 5 HA SER 5 -9.008 15.853 2.466 29 HB2 SER 5 HB2 SER 5 -9.516 16.904 -0.326 30 HB3 SER 5 HB3 SER 5 -9.079 15.235 0.039 31 HG SER 5 HG SER 5 -11.164 15.007 0.230 32 H GLU 6 H GLU 6 -6.980 16.664 3.393 33 HA GLU 6 HA GLU 6 -4.874 16.897 1.343 34 HB2 GLU 6 HB2 GLU 6 -5.402 18.901 2.950 35 HB3 GLU 6 HB3 GLU 6 -4.505 17.947 4.124 36 HG2 GLU 6 HG2 GLU 6 -2.639 18.809 3.319 37 HG3 GLU 6 HG3 GLU 6 -2.940 17.953 1.807 38 H GLY 7 H GLY 7 -5.978 14.471 2.551 39 HA2 GLY 7 HA2 GLY 7 -3.493 13.209 3.218 40 HA3 GLY 7 HA3 GLY 7 -4.552 13.359 4.612 41 HA PRO 8 HA PRO 8 -7.113 10.561 1.671 42 HB2 PRO 8 HB2 PRO 8 -6.110 10.005 -0.794 43 HB3 PRO 8 HB3 PRO 8 -7.162 11.387 -0.470 44 HG2 PRO 8 HG2 PRO 8 -4.181 11.293 -0.720 45 HG3 PRO 8 HG3 PRO 8 -5.322 12.484 -1.372 46 HD2 PRO 8 HD2 PRO 8 -3.874 12.938 0.866 47 HD3 PRO 8 HD3 PRO 8 -5.507 13.596 0.640 48 H VAL 9 H VAL 9 -3.659 10.191 0.860 49 HA VAL 9 HA VAL 9 -3.753 7.334 1.048 50 HB VAL 9 HB VAL 9 -1.296 9.086 1.082 51 HG11 VAL 9 HG11 VAL 9 -0.469 6.935 -0.172 52 HG12 VAL 9 HG12 VAL 9 -1.809 6.177 0.688 53 HG13 VAL 9 HG13 VAL 9 -0.526 6.984 1.590 54 HG21 VAL 9 HG21 VAL 9 -1.332 8.423 -1.434 55 HG22 VAL 9 HG22 VAL 9 -2.309 9.780 -0.875 56 HG23 VAL 9 HG23 VAL 9 -3.062 8.212 -1.165 57 H THR 10 H THR 10 -2.730 6.019 2.609 58 HA THR 10 HA THR 10 -2.951 7.053 5.294 59 HB THR 10 HB THR 10 -2.157 4.302 4.322 60 HG1 THR 10 HG1 THR 10 -4.305 3.785 4.734 61 HG21 THR 10 HG21 THR 10 -3.438 4.245 6.842 62 HG22 THR 10 HG22 THR 10 -2.095 5.385 6.935 63 HG23 THR 10 HG23 THR 10 -1.807 3.723 6.420 64 H VAL 11 H VAL 11 -1.332 7.267 6.800 65 HA VAL 11 HA VAL 11 1.384 7.413 5.700 66 HB VAL 11 HB VAL 11 0.342 8.578 8.286 67 HG11 VAL 11 HG11 VAL 11 2.950 8.844 6.812 68 HG12 VAL 11 HG12 VAL 11 2.679 8.304 8.470 69 HG13 VAL 11 HG13 VAL 11 2.427 9.996 8.041 70 HG21 VAL 11 HG21 VAL 11 0.299 9.566 5.507 71 HG22 VAL 11 HG22 VAL 11 0.830 10.718 6.732 72 HG23 VAL 11 HG23 VAL 11 -0.753 9.954 6.868 73 H VAL 12 H VAL 12 2.723 5.795 6.129 74 HA VAL 12 HA VAL 12 2.415 4.350 8.680 75 HB VAL 12 HB VAL 12 3.013 3.285 5.933 76 HG11 VAL 12 HG11 VAL 12 3.343 1.084 7.446 77 HG12 VAL 12 HG12 VAL 12 4.061 2.295 8.509 78 HG13 VAL 12 HG13 VAL 12 4.680 2.081 6.872 79 HG21 VAL 12 HG21 VAL 12 1.216 1.816 6.342 80 HG22 VAL 12 HG22 VAL 12 0.683 3.391 6.933 81 HG23 VAL 12 HG23 VAL 12 1.226 2.159 8.072 82 H VAL 13 H VAL 13 3.975 5.206 9.917 83 HA VAL 13 HA VAL 13 6.704 5.334 8.811 84 HB VAL 13 HB VAL 13 5.810 7.524 9.522 85 HG11 VAL 13 HG11 VAL 13 4.636 6.156 11.573 86 HG12 VAL 13 HG12 VAL 13 4.804 7.910 11.484 87 HG13 VAL 13 HG13 VAL 13 5.982 6.955 12.385 88 HG21 VAL 13 HG21 VAL 13 8.238 6.954 9.669 89 HG22 VAL 13 HG22 VAL 13 7.993 6.591 11.378 90 HG23 VAL 13 HG23 VAL 13 7.721 8.226 10.776 91 H ALA 14 H ALA 14 8.451 4.861 10.371 92 HA ALA 14 HA ALA 14 8.345 2.368 11.463 93 HB1 ALA 14 HB1 ALA 14 10.449 2.742 12.208 94 HB2 ALA 14 HB2 ALA 14 10.034 4.289 12.944 95 HB3 ALA 14 HB3 ALA 14 10.292 4.182 11.203 96 H LYS 15 H LYS 15 7.178 5.321 12.891 97 HA LYS 15 HA LYS 15 7.055 4.536 15.578 98 HB2 LYS 15 HB2 LYS 15 5.171 6.387 14.107 99 HB3 LYS 15 HB3 LYS 15 5.410 6.317 15.848 100 HG2 LYS 15 HG2 LYS 15 7.749 6.859 14.085 101 HG3 LYS 15 HG3 LYS 15 6.589 8.149 14.409 102 HD2 LYS 15 HD2 LYS 15 7.879 8.531 16.213 103 HD3 LYS 15 HD3 LYS 15 6.987 7.176 16.908 104 HE2 LYS 15 HE2 LYS 15 9.040 6.331 17.275 105 HE3 LYS 15 HE3 LYS 15 8.940 5.860 15.579 106 HZ1 LYS 15 HZ1 LYS 15 10.357 7.515 14.940 107 HZ2 LYS 15 HZ2 LYS 15 10.982 7.185 16.476 108 HZ3 LYS 15 HZ3 LYS 15 9.975 8.524 16.244 109 H ASN 16 H ASN 16 4.872 3.939 12.880 110 HA ASN 16 HA ASN 16 3.439 2.012 14.557 111 HB2 ASN 16 HB2 ASN 16 1.313 2.824 13.260 112 HB3 ASN 16 HB3 ASN 16 1.852 3.692 14.693 113 HD21 ASN 16 HD21 ASN 16 2.217 3.663 11.171 114 HD22 ASN 16 HD22 ASN 16 2.308 5.379 10.992 115 H TYR 17 H TYR 17 5.441 1.864 12.353 116 HA TYR 17 HA TYR 17 4.156 0.980 9.988 117 HB2 TYR 17 HB2 TYR 17 6.553 1.697 10.153 118 HB3 TYR 17 HB3 TYR 17 6.892 0.187 10.995 119 HD1 TYR 17 HD1 TYR 17 6.108 -1.992 9.699 120 HD2 TYR 17 HD2 TYR 17 6.867 1.774 7.866 121 HE1 TYR 17 HE1 TYR 17 6.445 -3.117 7.541 122 HE2 TYR 17 HE2 TYR 17 7.205 0.656 5.702 123 HH TYR 17 HH TYR 17 7.850 -2.430 5.306 124 H ASN 18 H ASN 18 5.464 -0.722 12.799 125 HA ASN 18 HA ASN 18 4.930 -3.331 11.865 126 HB2 ASN 18 HB2 ASN 18 4.991 -2.555 14.768 127 HB3 ASN 18 HB3 ASN 18 5.489 -4.076 14.034 128 HD21 ASN 18 HD21 ASN 18 7.574 -4.358 13.704 129 HD22 ASN 18 HD22 ASN 18 8.773 -3.114 13.663 130 H GLU 19 H GLU 19 3.160 -1.343 14.241 131 HA GLU 19 HA GLU 19 1.088 -3.075 14.771 132 HB2 GLU 19 HB2 GLU 19 1.511 -0.184 14.964 133 HB3 GLU 19 HB3 GLU 19 -0.180 -0.633 14.783 134 HG2 GLU 19 HG2 GLU 19 -0.147 -1.933 16.749 135 HG3 GLU 19 HG3 GLU 19 1.613 -1.886 16.838 136 H ILE 20 H ILE 20 1.493 -0.964 11.997 137 HA ILE 20 HA ILE 20 -1.153 -1.356 10.982 138 HB ILE 20 HB ILE 20 1.335 -0.291 9.647 139 HG12 ILE 20 HG12 ILE 20 0.338 1.011 11.554 140 HG13 ILE 20 HG13 ILE 20 0.387 1.880 10.024 141 HG21 ILE 20 HG21 ILE 20 -1.350 -0.877 8.575 142 HG22 ILE 20 HG22 ILE 20 0.207 -0.784 7.753 143 HG23 ILE 20 HG23 ILE 20 -0.670 0.693 8.151 144 HD11 ILE 20 HD11 ILE 20 -1.871 1.918 9.825 145 HD12 ILE 20 HD12 ILE 20 -1.746 1.862 11.583 146 HD13 ILE 20 HD13 ILE 20 -2.086 0.388 10.675 147 H VAL 21 H VAL 21 1.829 -2.158 9.223 148 HA VAL 21 HA VAL 21 0.830 -3.997 7.489 149 HB VAL 21 HB VAL 21 3.520 -4.257 8.840 150 HG11 VAL 21 HG11 VAL 21 2.714 -5.079 6.058 151 HG12 VAL 21 HG12 VAL 21 2.742 -6.181 7.434 152 HG13 VAL 21 HG13 VAL 21 4.233 -5.416 6.887 153 HG21 VAL 21 HG21 VAL 21 3.455 -2.047 8.070 154 HG22 VAL 21 HG22 VAL 21 2.561 -2.486 6.614 155 HG23 VAL 21 HG23 VAL 21 4.258 -2.937 6.776 156 H LEU 22 H LEU 22 1.533 -4.480 10.870 157 HA LEU 22 HA LEU 22 1.444 -7.309 10.908 158 HB2 LEU 22 HB2 LEU 22 1.133 -5.161 12.970 159 HB3 LEU 22 HB3 LEU 22 0.789 -6.821 13.389 160 HG LEU 22 HG LEU 22 3.428 -5.955 12.226 161 HD11 LEU 22 HD11 LEU 22 2.913 -6.473 15.136 162 HD12 LEU 22 HD12 LEU 22 2.802 -4.856 14.442 163 HD13 LEU 22 HD13 LEU 22 4.326 -5.742 14.377 164 HD21 LEU 22 HD21 LEU 22 3.942 -8.143 13.671 165 HD22 LEU 22 HD22 LEU 22 3.465 -8.206 11.974 166 HD23 LEU 22 HD23 LEU 22 2.266 -8.480 13.239 167 H ASP 23 H ASP 23 -1.030 -4.815 11.425 168 HA ASP 23 HA ASP 23 -3.151 -6.272 12.326 169 HB2 ASP 23 HB2 ASP 23 -2.866 -3.739 11.447 170 HB3 ASP 23 HB3 ASP 23 -3.799 -4.411 10.113 171 H ASP 24 H ASP 24 -3.262 -8.366 11.590 172 HA ASP 24 HA ASP 24 -3.468 -8.935 8.763 173 HB2 ASP 24 HB2 ASP 24 -2.526 -10.371 10.879 174 HB3 ASP 24 HB3 ASP 24 -4.126 -11.078 10.676 175 H THR 25 H THR 25 -5.625 -7.998 11.177 176 HA THR 25 HA THR 25 -7.895 -9.537 10.439 177 HB THR 25 HB THR 25 -9.170 -7.968 11.787 178 HG1 THR 25 HG1 THR 25 -6.806 -6.403 11.837 179 HG21 THR 25 HG21 THR 25 -8.297 -8.460 13.815 180 HG22 THR 25 HG22 THR 25 -6.654 -8.030 13.340 181 HG23 THR 25 HG23 THR 25 -7.344 -9.571 12.832 182 H LYS 26 H LYS 26 -6.287 -7.041 8.838 183 HA LYS 26 HA LYS 26 -8.538 -6.746 7.001 184 HB2 LYS 26 HB2 LYS 26 -7.041 -4.422 8.223 185 HB3 LYS 26 HB3 LYS 26 -8.147 -4.289 6.863 186 HG2 LYS 26 HG2 LYS 26 -10.010 -4.850 8.189 187 HG3 LYS 26 HG3 LYS 26 -8.991 -5.413 9.515 188 HD2 LYS 26 HD2 LYS 26 -8.130 -2.859 9.271 189 HD3 LYS 26 HD3 LYS 26 -9.818 -2.682 8.786 190 HE2 LYS 26 HE2 LYS 26 -9.845 -2.344 11.099 191 HE3 LYS 26 HE3 LYS 26 -10.374 -4.014 10.896 192 HZ1 LYS 26 HZ1 LYS 26 -8.467 -3.281 12.588 193 HZ2 LYS 26 HZ2 LYS 26 -7.516 -3.612 11.229 194 HZ3 LYS 26 HZ3 LYS 26 -8.522 -4.811 11.867 195 H ASP 27 H ASP 27 -7.862 -5.711 4.932 196 HA ASP 27 HA ASP 27 -5.345 -6.851 4.088 197 HB2 ASP 27 HB2 ASP 27 -6.094 -5.786 1.832 198 HB3 ASP 27 HB3 ASP 27 -6.980 -7.170 2.462 199 H VAL 28 H VAL 28 -3.470 -5.820 3.870 200 HA VAL 28 HA VAL 28 -3.478 -2.881 4.082 201 HB VAL 28 HB VAL 28 -1.317 -4.821 4.920 202 HG11 VAL 28 HG11 VAL 28 -0.166 -2.899 4.284 203 HG12 VAL 28 HG12 VAL 28 -0.412 -2.676 6.016 204 HG13 VAL 28 HG13 VAL 28 -1.441 -1.827 4.862 205 HG21 VAL 28 HG21 VAL 28 -3.147 -4.929 6.457 206 HG22 VAL 28 HG22 VAL 28 -3.269 -3.171 6.515 207 HG23 VAL 28 HG23 VAL 28 -1.863 -3.980 7.205 208 H LEU 29 H LEU 29 -2.083 -1.678 2.795 209 HA LEU 29 HA LEU 29 -0.662 -3.099 0.660 210 HB2 LEU 29 HB2 LEU 29 -3.091 -1.854 0.246 211 HB3 LEU 29 HB3 LEU 29 -1.939 -0.625 -0.237 212 HG LEU 29 HG LEU 29 -2.346 -3.360 -1.418 213 HD11 LEU 29 HD11 LEU 29 -3.748 -1.563 -2.267 214 HD12 LEU 29 HD12 LEU 29 -2.584 -2.080 -3.487 215 HD13 LEU 29 HD13 LEU 29 -2.317 -0.584 -2.592 216 HD21 LEU 29 HD21 LEU 29 0.142 -1.918 -1.161 217 HD22 LEU 29 HD22 LEU 29 -0.317 -2.096 -2.854 218 HD23 LEU 29 HD23 LEU 29 -0.165 -3.521 -1.827 219 H ILE 30 H ILE 30 1.382 -2.566 1.208 220 HA ILE 30 HA ILE 30 1.972 0.258 1.779 221 HB ILE 30 HB ILE 30 2.679 -1.244 3.548 222 HG12 ILE 30 HG12 ILE 30 5.228 -0.522 2.134 223 HG13 ILE 30 HG13 ILE 30 4.130 0.744 2.675 224 HG21 ILE 30 HG21 ILE 30 2.897 -3.294 2.284 225 HG22 ILE 30 HG22 ILE 30 4.397 -2.960 3.149 226 HG23 ILE 30 HG23 ILE 30 4.288 -2.643 1.417 227 HD11 ILE 30 HD11 ILE 30 6.124 -0.208 4.167 228 HD12 ILE 30 HD12 ILE 30 4.842 -1.312 4.664 229 HD13 ILE 30 HD13 ILE 30 4.627 0.429 4.850 230 H GLU 31 H GLU 31 3.319 1.414 0.516 231 HA GLU 31 HA GLU 31 4.683 0.017 -1.690 232 HB2 GLU 31 HB2 GLU 31 2.721 1.101 -2.612 233 HB3 GLU 31 HB3 GLU 31 3.139 2.614 -1.821 234 HG2 GLU 31 HG2 GLU 31 4.966 2.978 -3.258 235 HG3 GLU 31 HG3 GLU 31 4.921 1.322 -3.860 236 H PHE 32 H PHE 32 6.813 0.332 -1.618 237 HA PHE 32 HA PHE 32 7.845 2.598 -0.084 238 HB2 PHE 32 HB2 PHE 32 9.557 0.419 -1.245 239 HB3 PHE 32 HB3 PHE 32 9.862 1.432 0.159 240 HD1 PHE 32 HD2 PHE 32 7.720 -1.327 -1.087 241 HD2 PHE 32 HD1 PHE 32 9.274 0.729 2.300 242 HE1 PHE 32 HE2 PHE 32 6.827 -3.084 0.384 243 HE2 PHE 32 HE1 PHE 32 8.385 -1.025 3.777 244 HZ PHE 32 HZ PHE 32 7.158 -2.935 2.820 245 H TYR 33 H TYR 33 9.305 4.084 -0.906 246 HA TYR 33 HA TYR 33 10.202 3.969 -3.631 247 HB2 TYR 33 HB2 TYR 33 9.015 5.970 -4.404 248 HB3 TYR 33 HB3 TYR 33 7.878 4.697 -3.969 249 HD1 TYR 33 HD1 TYR 33 7.028 4.812 -1.458 250 HD2 TYR 33 HD2 TYR 33 8.597 8.111 -3.638 251 HE1 TYR 33 HE1 TYR 33 5.870 6.360 0.062 252 HE2 TYR 33 HE2 TYR 33 7.442 9.668 -2.126 253 HH TYR 33 HH TYR 33 6.578 9.574 0.303 254 H ALA 34 H ALA 34 11.368 6.024 -4.233 255 HA ALA 34 HA ALA 34 12.666 7.129 -1.831 256 HB1 ALA 34 HB1 ALA 34 13.693 6.218 -4.430 257 HB2 ALA 34 HB2 ALA 34 14.475 6.264 -2.850 258 HB3 ALA 34 HB3 ALA 34 14.391 7.724 -3.834 259 HA PRO 35 HA PRO 35 11.046 11.097 -2.950 260 HB2 PRO 35 HB2 PRO 35 12.733 12.692 -1.560 261 HB3 PRO 35 HB3 PRO 35 11.481 11.719 -0.781 262 HG2 PRO 35 HG2 PRO 35 14.407 11.168 -1.062 263 HG3 PRO 35 HG3 PRO 35 13.354 10.932 0.344 264 HD2 PRO 35 HD2 PRO 35 14.094 8.905 -1.312 265 HD3 PRO 35 HD3 PRO 35 12.550 8.926 -0.438 266 H TRP 36 H TRP 36 14.052 9.956 -3.959 267 HA TRP 36 HA TRP 36 14.587 12.388 -5.523 268 HB2 TRP 36 HB2 TRP 36 16.837 11.063 -5.925 269 HB3 TRP 36 HB3 TRP 36 16.589 11.996 -4.454 270 HD1 TRP 36 HD1 TRP 36 15.837 10.509 -2.232 271 HE1 TRP 36 HE1 TRP 36 16.546 8.128 -1.561 272 HE3 TRP 36 HE3 TRP 36 17.502 8.850 -6.772 273 HZ2 TRP 36 HZ2 TRP 36 17.669 5.850 -2.793 274 HZ3 TRP 36 HZ3 TRP 36 18.380 6.558 -6.940 275 HH2 TRP 36 HH2 TRP 36 18.461 5.090 -4.990 276 H CYS 37 H CYS 37 13.783 9.021 -5.708 277 HA CYS 37 HA CYS 37 14.428 8.683 -8.474 278 HB2 CYS 37 HB2 CYS 37 14.240 6.827 -6.766 279 HB3 CYS 37 HB3 CYS 37 12.493 7.035 -6.841 280 HG CYS 37 HG CYS 37 12.696 5.330 -8.607 281 H GLY 38 H GLY 38 13.086 8.733 -10.256 282 HA2 GLY 38 HA2 GLY 38 10.783 10.464 -10.019 283 HA3 GLY 38 HA3 GLY 38 11.465 9.830 -11.508 284 H HIS 39 H HIS 39 11.339 7.061 -10.243 285 HA HIS 39 HA HIS 39 9.009 6.169 -11.455 286 HB2 HIS 39 HB2 HIS 39 10.884 5.012 -9.440 287 HB3 HIS 39 HB3 HIS 39 9.361 4.180 -9.740 288 HD1 HIS 39 HD1 HIS 39 9.038 4.204 -12.676 289 HD2 HIS 39 HD2 HIS 39 12.765 3.749 -10.897 290 HE1 HIS 39 HE1 HIS 39 10.479 3.089 -14.410 291 HE2 HIS 39 HE2 HIS 39 12.752 2.900 -13.340 292 H CYS 40 H CYS 40 9.510 7.433 -8.243 293 HA CYS 40 HA CYS 40 7.106 6.487 -7.087 294 HB2 CYS 40 HB2 CYS 40 7.538 8.023 -5.298 295 HB3 CYS 40 HB3 CYS 40 9.085 7.364 -5.817 296 HG CYS 40 HG CYS 40 8.459 10.245 -5.676 297 H LYS 41 H LYS 41 7.918 9.325 -8.981 298 HA LYS 41 HA LYS 41 5.584 10.818 -8.512 299 HB2 LYS 41 HB2 LYS 41 7.300 10.755 -11.002 300 HB3 LYS 41 HB3 LYS 41 6.156 12.019 -10.571 301 HG2 LYS 41 HG2 LYS 41 7.492 12.818 -8.847 302 HG3 LYS 41 HG3 LYS 41 8.422 11.321 -8.747 303 HD2 LYS 41 HD2 LYS 41 9.162 11.897 -11.157 304 HD3 LYS 41 HD3 LYS 41 8.597 13.524 -10.771 305 HE2 LYS 41 HE2 LYS 41 10.205 13.832 -9.131 306 HE3 LYS 41 HE3 LYS 41 10.458 12.101 -8.913 307 HZ1 LYS 41 HZ1 LYS 41 11.112 13.202 -11.531 308 HZ2 LYS 41 HZ2 LYS 41 11.899 12.003 -10.633 309 HZ3 LYS 41 HZ3 LYS 41 12.135 13.635 -10.254 310 H ALA 42 H ALA 42 6.338 8.295 -10.857 311 HA ALA 42 HA ALA 42 3.921 8.533 -12.336 312 HB1 ALA 42 HB1 ALA 42 5.465 7.435 -13.591 313 HB2 ALA 42 HB2 ALA 42 4.638 6.037 -12.904 314 HB3 ALA 42 HB3 ALA 42 6.158 6.593 -12.205 315 H LEU 43 H LEU 43 4.805 6.897 -9.400 316 HA LEU 43 HA LEU 43 2.263 5.433 -9.376 317 HB2 LEU 43 HB2 LEU 43 4.856 4.745 -8.581 318 HB3 LEU 43 HB3 LEU 43 3.968 4.963 -7.086 319 HG LEU 43 HG LEU 43 3.857 2.653 -7.689 320 HD11 LEU 43 HD11 LEU 43 1.834 3.001 -6.746 321 HD12 LEU 43 HD12 LEU 43 1.272 2.606 -8.370 322 HD13 LEU 43 HD13 LEU 43 1.406 4.291 -7.868 323 HD21 LEU 43 HD21 LEU 43 2.490 2.264 -9.954 324 HD22 LEU 43 HD22 LEU 43 4.252 2.317 -9.888 325 HD23 LEU 43 HD23 LEU 43 3.344 3.746 -10.385 326 H ALA 44 H ALA 44 3.331 8.385 -8.459 327 HA ALA 44 HA ALA 44 2.403 8.591 -5.788 328 HB1 ALA 44 HB1 ALA 44 2.263 11.130 -6.620 329 HB2 ALA 44 HB2 ALA 44 3.290 10.467 -7.891 330 HB3 ALA 44 HB3 ALA 44 3.781 10.336 -6.203 331 HA PRO 45 HA PRO 45 -1.598 10.555 -7.613 332 HB2 PRO 45 HB2 PRO 45 -1.983 10.444 -10.298 333 HB3 PRO 45 HB3 PRO 45 -1.147 11.781 -9.501 334 HG2 PRO 45 HG2 PRO 45 -0.001 9.411 -10.926 335 HG3 PRO 45 HG3 PRO 45 0.496 11.112 -11.003 336 HD2 PRO 45 HD2 PRO 45 1.807 9.279 -9.504 337 HD3 PRO 45 HD3 PRO 45 1.682 10.985 -9.030 338 H LYS 46 H LYS 46 -0.327 7.700 -9.225 339 HA LYS 46 HA LYS 46 -2.850 6.483 -9.728 340 HB2 LYS 46 HB2 LYS 46 -0.208 5.059 -9.423 341 HB3 LYS 46 HB3 LYS 46 -1.613 4.532 -10.339 342 HG2 LYS 46 HG2 LYS 46 0.161 6.878 -10.981 343 HG3 LYS 46 HG3 LYS 46 0.108 5.331 -11.829 344 HD2 LYS 46 HD2 LYS 46 -2.419 5.909 -12.133 345 HD3 LYS 46 HD3 LYS 46 -1.884 7.560 -11.816 346 HE2 LYS 46 HE2 LYS 46 -0.832 7.737 -13.802 347 HE3 LYS 46 HE3 LYS 46 -0.264 6.068 -13.765 348 HZ1 LYS 46 HZ1 LYS 46 -3.002 6.968 -14.481 349 HZ2 LYS 46 HZ2 LYS 46 -2.503 5.355 -14.393 350 HZ3 LYS 46 HZ3 LYS 46 -1.830 6.384 -15.553 351 H TYR 47 H TYR 47 -0.319 5.741 -7.325 352 HA TYR 47 HA TYR 47 -1.882 3.892 -5.877 353 HB2 TYR 47 HB2 TYR 47 0.699 4.358 -5.858 354 HB3 TYR 47 HB3 TYR 47 0.292 5.477 -4.563 355 HD1 TYR 47 HD1 TYR 47 -0.477 1.953 -5.560 356 HD2 TYR 47 HD2 TYR 47 0.433 4.669 -2.414 357 HE1 TYR 47 HE1 TYR 47 -0.482 0.089 -3.956 358 HE2 TYR 47 HE2 TYR 47 0.432 2.813 -0.802 359 HH TYR 47 HH TYR 47 -0.392 0.597 -0.546 360 H GLU 48 H GLU 48 -1.578 7.363 -5.727 361 HA GLU 48 HA GLU 48 -2.744 7.717 -3.167 362 HB2 GLU 48 HB2 GLU 48 -1.383 9.447 -4.264 363 HB3 GLU 48 HB3 GLU 48 -2.618 9.634 -5.501 364 HG2 GLU 48 HG2 GLU 48 -4.127 10.064 -3.349 365 HG3 GLU 48 HG3 GLU 48 -2.570 10.582 -2.703 366 H GLU 49 H GLU 49 -4.066 7.616 -6.444 367 HA GLU 49 HA GLU 49 -6.686 8.418 -5.753 368 HB2 GLU 49 HB2 GLU 49 -5.298 7.552 -8.106 369 HB3 GLU 49 HB3 GLU 49 -6.818 6.676 -7.986 370 HG2 GLU 49 HG2 GLU 49 -7.798 9.057 -7.518 371 HG3 GLU 49 HG3 GLU 49 -6.327 9.590 -8.331 372 H LEU 50 H LEU 50 -5.547 5.149 -6.633 373 HA LEU 50 HA LEU 50 -7.821 3.766 -5.846 374 HB2 LEU 50 HB2 LEU 50 -5.945 2.841 -7.188 375 HB3 LEU 50 HB3 LEU 50 -4.975 2.768 -5.729 376 HG LEU 50 HG LEU 50 -6.042 0.599 -6.498 377 HD11 LEU 50 HD11 LEU 50 -5.393 1.505 -4.020 378 HD12 LEU 50 HD12 LEU 50 -5.870 -0.150 -4.397 379 HD13 LEU 50 HD13 LEU 50 -7.064 0.993 -3.783 380 HD21 LEU 50 HD21 LEU 50 -8.250 1.696 -7.021 381 HD22 LEU 50 HD22 LEU 50 -8.533 1.769 -5.282 382 HD23 LEU 50 HD23 LEU 50 -8.340 0.208 -6.079 383 H GLY 51 H GLY 51 -5.139 4.947 -3.941 384 HA2 GLY 51 HA2 GLY 51 -5.438 3.440 -1.620 385 HA3 GLY 51 HA3 GLY 51 -4.844 5.093 -1.672 386 H ALA 52 H ALA 52 -6.680 6.748 -2.045 387 HA ALA 52 HA ALA 52 -8.417 6.597 0.178 388 HB1 ALA 52 HB1 ALA 52 -8.856 8.771 -0.235 389 HB2 ALA 52 HB2 ALA 52 -9.093 8.508 -1.963 390 HB3 ALA 52 HB3 ALA 52 -7.461 8.626 -1.304 391 H LEU 53 H LEU 53 -8.724 5.589 -3.112 392 HA LEU 53 HA LEU 53 -11.421 5.709 -3.613 393 HB2 LEU 53 HB2 LEU 53 -9.243 3.849 -4.407 394 HB3 LEU 53 HB3 LEU 53 -10.887 3.349 -4.746 395 HG LEU 53 HG LEU 53 -9.432 5.754 -5.824 396 HD11 LEU 53 HD11 LEU 53 -10.890 3.938 -7.597 397 HD12 LEU 53 HD12 LEU 53 -9.534 3.199 -6.744 398 HD13 LEU 53 HD13 LEU 53 -9.272 4.624 -7.749 399 HD21 LEU 53 HD21 LEU 53 -12.364 5.122 -5.850 400 HD22 LEU 53 HD22 LEU 53 -11.606 6.138 -7.076 401 HD23 LEU 53 HD23 LEU 53 -11.564 6.622 -5.381 402 H TYR 54 H TYR 54 -9.854 2.717 -2.451 403 HA TYR 54 HA TYR 54 -12.391 1.776 -1.413 404 HB2 TYR 54 HB2 TYR 54 -9.660 0.483 -1.270 405 HB3 TYR 54 HB3 TYR 54 -11.196 -0.292 -0.904 406 HD1 TYR 54 HD2 TYR 54 -12.649 1.092 -3.315 407 HD2 TYR 54 HD1 TYR 54 -9.049 -1.143 -2.938 408 HE1 TYR 54 HE2 TYR 54 -12.848 0.388 -5.662 409 HE2 TYR 54 HE1 TYR 54 -9.237 -1.853 -5.286 410 HH TYR 54 HH TYR 54 -10.622 -0.601 -7.482 411 H ALA 55 H ALA 55 -9.447 3.157 -0.176 412 HA ALA 55 HA ALA 55 -9.427 2.380 2.444 413 HB1 ALA 55 HB1 ALA 55 -8.470 4.640 2.947 414 HB2 ALA 55 HB2 ALA 55 -8.819 5.085 1.278 415 HB3 ALA 55 HB3 ALA 55 -7.688 3.777 1.623 416 H LYS 56 H LYS 56 -11.733 4.485 0.884 417 HA LYS 56 HA LYS 56 -13.124 4.737 3.464 418 HB2 LYS 56 HB2 LYS 56 -11.939 6.842 2.295 419 HB3 LYS 56 HB3 LYS 56 -13.503 6.913 1.495 420 HG2 LYS 56 HG2 LYS 56 -13.823 6.510 4.328 421 HG3 LYS 56 HG3 LYS 56 -12.834 7.933 3.998 422 HD2 LYS 56 HD2 LYS 56 -15.429 7.450 2.565 423 HD3 LYS 56 HD3 LYS 56 -15.376 8.245 4.140 424 HE2 LYS 56 HE2 LYS 56 -13.630 9.205 1.911 425 HE3 LYS 56 HE3 LYS 56 -15.328 9.675 1.968 426 HZ1 LYS 56 HZ1 LYS 56 -13.640 11.198 3.079 427 HZ2 LYS 56 HZ2 LYS 56 -13.555 10.035 4.303 428 HZ3 LYS 56 HZ3 LYS 56 -15.024 10.801 3.967 429 H SER 57 H SER 57 -13.415 4.228 0.003 430 HA SER 57 HA SER 57 -16.270 4.481 -0.001 431 HB2 SER 57 HB2 SER 57 -14.494 3.251 -2.109 432 HB3 SER 57 HB3 SER 57 -16.161 3.787 -2.319 433 HG SER 57 HG SER 57 -13.896 5.393 -1.738 434 H GLU 58 H GLU 58 -14.195 1.598 -0.582 435 HA GLU 58 HA GLU 58 -16.550 -0.061 -0.103 436 HB2 GLU 58 HB2 GLU 58 -14.383 -0.228 -1.875 437 HB3 GLU 58 HB3 GLU 58 -14.192 -1.574 -0.761 438 HG2 GLU 58 HG2 GLU 58 -15.463 -2.415 -2.530 439 HG3 GLU 58 HG3 GLU 58 -16.621 -2.122 -1.233 440 H PHE 59 H PHE 59 -13.123 -0.231 0.880 441 HA PHE 59 HA PHE 59 -13.970 -1.740 3.248 442 HB2 PHE 59 HB2 PHE 59 -11.261 -1.467 1.937 443 HB3 PHE 59 HB3 PHE 59 -11.561 -2.374 3.416 444 HD1 PHE 59 HD1 PHE 59 -12.427 -2.179 -0.176 445 HD2 PHE 59 HD2 PHE 59 -12.340 -4.582 3.333 446 HE1 PHE 59 HE1 PHE 59 -13.011 -4.155 -1.520 447 HE2 PHE 59 HE2 PHE 59 -12.921 -6.564 1.996 448 HZ PHE 59 HZ PHE 59 -13.258 -6.352 -0.434 449 H LYS 60 H LYS 60 -14.420 1.013 3.252 450 HA LYS 60 HA LYS 60 -12.603 2.740 4.243 451 HB2 LYS 60 HB2 LYS 60 -14.471 3.741 5.585 452 HB3 LYS 60 HB3 LYS 60 -14.834 3.452 3.890 453 HG2 LYS 60 HG2 LYS 60 -16.158 1.556 4.399 454 HG3 LYS 60 HG3 LYS 60 -15.608 1.545 6.077 455 HD2 LYS 60 HD2 LYS 60 -17.043 3.923 4.951 456 HD3 LYS 60 HD3 LYS 60 -17.942 2.519 5.530 457 HE2 LYS 60 HE2 LYS 60 -17.858 3.564 7.515 458 HE3 LYS 60 HE3 LYS 60 -16.217 2.923 7.586 459 HZ1 LYS 60 HZ1 LYS 60 -15.789 5.102 7.966 460 HZ2 LYS 60 HZ2 LYS 60 -17.126 5.654 7.090 461 HZ3 LYS 60 HZ3 LYS 60 -15.735 5.143 6.275 462 H ASP 61 H ASP 61 -14.132 0.130 6.048 463 HA ASP 61 HA ASP 61 -12.307 0.717 8.287 464 HB2 ASP 61 HB2 ASP 61 -15.016 0.736 8.446 465 HB3 ASP 61 HB3 ASP 61 -14.685 -0.949 8.839 466 H ARG 62 H ARG 62 -11.813 -0.950 5.898 467 HA ARG 62 HA ARG 62 -11.012 -3.357 7.333 468 HB2 ARG 62 HB2 ARG 62 -12.716 -3.395 4.847 469 HB3 ARG 62 HB3 ARG 62 -11.858 -4.801 5.464 470 HG2 ARG 62 HG2 ARG 62 -13.185 -4.081 7.680 471 HG3 ARG 62 HG3 ARG 62 -14.302 -3.482 6.452 472 HD2 ARG 62 HD2 ARG 62 -13.271 -6.295 6.771 473 HD3 ARG 62 HD3 ARG 62 -14.921 -5.729 7.020 474 HE ARG 62 HE ARG 62 -13.930 -5.260 4.364 475 HH11 ARG 62 HH11 ARG 62 -15.486 -7.569 6.470 476 HH12 ARG 62 HH12 ARG 62 -16.229 -8.440 5.171 477 HH21 ARG 62 HH21 ARG 62 -14.908 -6.406 2.655 478 HH22 ARG 62 HH22 ARG 62 -15.901 -7.781 3.006 479 H VAL 63 H VAL 63 -10.023 -0.897 5.470 480 HA VAL 63 HA VAL 63 -7.784 -2.460 4.452 481 HB VAL 63 HB VAL 63 -9.511 -2.214 2.602 482 HG11 VAL 63 HG11 VAL 63 -8.488 0.600 2.377 483 HG12 VAL 63 HG12 VAL 63 -9.981 0.218 3.233 484 HG13 VAL 63 HG13 VAL 63 -9.827 -0.159 1.516 485 HG21 VAL 63 HG21 VAL 63 -7.851 -2.344 1.070 486 HG22 VAL 63 HG22 VAL 63 -6.841 -2.407 2.515 487 HG23 VAL 63 HG23 VAL 63 -7.051 -0.884 1.651 488 H VAL 64 H VAL 64 -5.875 -1.329 4.175 489 HA VAL 64 HA VAL 64 -5.847 1.525 4.794 490 HB VAL 64 HB VAL 64 -4.069 -0.411 6.279 491 HG11 VAL 64 HG11 VAL 64 -4.441 2.561 6.318 492 HG12 VAL 64 HG12 VAL 64 -2.951 1.626 6.184 493 HG13 VAL 64 HG13 VAL 64 -3.807 1.707 7.725 494 HG21 VAL 64 HG21 VAL 64 -6.250 -0.798 7.122 495 HG22 VAL 64 HG22 VAL 64 -6.629 0.925 7.129 496 HG23 VAL 64 HG23 VAL 64 -5.455 0.276 8.274 497 H ILE 65 H ILE 65 -4.933 2.245 2.962 498 HA ILE 65 HA ILE 65 -2.557 0.849 1.930 499 HB ILE 65 HB ILE 65 -4.233 2.914 0.501 500 HG12 ILE 65 HG12 ILE 65 -4.316 -0.106 0.300 501 HG13 ILE 65 HG13 ILE 65 -5.575 0.920 0.982 502 HG21 ILE 65 HG21 ILE 65 -1.691 2.031 -0.048 503 HG22 ILE 65 HG22 ILE 65 -2.801 2.762 -1.207 504 HG23 ILE 65 HG23 ILE 65 -2.693 1.007 -1.077 505 HD11 ILE 65 HD11 ILE 65 -6.386 1.476 -1.032 506 HD12 ILE 65 HD12 ILE 65 -5.570 -0.001 -1.545 507 HD13 ILE 65 HD13 ILE 65 -4.788 1.563 -1.772 508 H ALA 66 H ALA 66 -0.749 1.701 2.759 509 HA ALA 66 HA ALA 66 -0.539 4.640 2.861 510 HB1 ALA 66 HB1 ALA 66 1.345 3.911 4.614 511 HB2 ALA 66 HB2 ALA 66 0.230 2.560 4.810 512 HB3 ALA 66 HB3 ALA 66 -0.331 4.210 5.072 513 H LYS 67 H LYS 67 1.684 5.478 2.661 514 HA LYS 67 HA LYS 67 3.372 3.781 0.948 515 HB2 LYS 67 HB2 LYS 67 3.959 5.906 -0.297 516 HB3 LYS 67 HB3 LYS 67 2.334 5.288 -0.563 517 HG2 LYS 67 HG2 LYS 67 1.406 6.939 0.917 518 HG3 LYS 67 HG3 LYS 67 3.020 7.498 1.363 519 HD2 LYS 67 HD2 LYS 67 3.141 7.747 -1.324 520 HD3 LYS 67 HD3 LYS 67 1.422 8.042 -1.054 521 HE2 LYS 67 HE2 LYS 67 2.027 9.750 0.633 522 HE3 LYS 67 HE3 LYS 67 3.726 9.498 0.237 523 HZ1 LYS 67 HZ1 LYS 67 1.964 10.080 -2.000 524 HZ2 LYS 67 HZ2 LYS 67 3.536 10.622 -1.689 525 HZ3 LYS 67 HZ3 LYS 67 2.222 11.352 -0.914 526 H VAL 68 H VAL 68 5.384 3.582 1.662 527 HA VAL 68 HA VAL 68 6.403 5.601 3.551 528 HB VAL 68 HB VAL 68 6.038 3.405 4.598 529 HG11 VAL 68 HG11 VAL 68 6.294 1.884 2.808 530 HG12 VAL 68 HG12 VAL 68 7.611 1.544 3.929 531 HG13 VAL 68 HG13 VAL 68 7.923 2.459 2.454 532 HG21 VAL 68 HG21 VAL 68 9.003 3.784 4.366 533 HG22 VAL 68 HG22 VAL 68 8.047 3.337 5.779 534 HG23 VAL 68 HG23 VAL 68 7.987 4.987 5.160 535 H ASP 69 H ASP 69 8.768 5.883 3.556 536 HA ASP 69 HA ASP 69 9.862 5.575 0.840 537 HB2 ASP 69 HB2 ASP 69 11.449 7.469 2.113 538 HB3 ASP 69 HB3 ASP 69 10.181 7.793 0.938 539 H ALA 70 H ALA 70 12.026 4.975 0.575 540 HA ALA 70 HA ALA 70 12.993 3.171 2.599 541 HB1 ALA 70 HB1 ALA 70 14.846 2.810 0.887 542 HB2 ALA 70 HB2 ALA 70 13.914 3.873 -0.167 543 HB3 ALA 70 HB3 ALA 70 13.207 2.364 0.411 544 H THR 71 H THR 71 13.236 6.410 2.383 545 HA THR 71 HA THR 71 15.985 6.925 2.691 546 HB THR 71 HB THR 71 15.327 9.120 3.449 547 HG1 THR 71 HG1 THR 71 13.718 9.013 4.821 548 HG21 THR 71 HG21 THR 71 14.972 9.243 1.214 549 HG22 THR 71 HG22 THR 71 13.328 9.538 1.780 550 HG23 THR 71 HG23 THR 71 13.792 7.933 1.213 551 H ALA 72 H ALA 72 13.442 6.924 5.232 552 HA ALA 72 HA ALA 72 15.207 5.582 7.062 553 HB1 ALA 72 HB1 ALA 72 14.367 8.180 8.172 554 HB2 ALA 72 HB2 ALA 72 15.647 8.229 6.961 555 HB3 ALA 72 HB3 ALA 72 15.852 7.262 8.422 556 H ASN 73 H ASN 73 13.831 4.142 7.842 557 HA ASN 73 HA ASN 73 11.822 4.726 9.640 558 HB2 ASN 73 HB2 ASN 73 9.881 3.828 8.044 559 HB3 ASN 73 HB3 ASN 73 10.247 5.543 8.192 560 HD21 ASN 73 HD21 ASN 73 10.213 6.525 6.325 561 HD22 ASN 73 HD22 ASN 73 10.740 5.875 4.813 562 H ASP 74 H ASP 74 10.120 2.675 9.600 563 HA ASP 74 HA ASP 74 11.562 0.485 10.433 564 HB2 ASP 74 HB2 ASP 74 8.815 1.111 10.005 565 HB3 ASP 74 HB3 ASP 74 9.117 -0.481 9.317 566 H VAL 75 H VAL 75 9.566 0.218 7.511 567 HA VAL 75 HA VAL 75 9.820 -1.134 5.677 568 HB VAL 75 HB VAL 75 10.970 0.908 4.995 569 HG11 VAL 75 HG11 VAL 75 12.687 1.204 6.562 570 HG12 VAL 75 HG12 VAL 75 13.518 0.858 5.046 571 HG13 VAL 75 HG13 VAL 75 13.353 -0.402 6.268 572 HG21 VAL 75 HG21 VAL 75 11.001 -1.403 3.687 573 HG22 VAL 75 HG22 VAL 75 12.741 -1.198 3.885 574 HG23 VAL 75 HG23 VAL 75 11.796 0.041 3.059 575 HA PRO 76 HA PRO 76 12.627 -4.175 8.062 576 HB2 PRO 76 HB2 PRO 76 10.620 -6.035 8.400 577 HB3 PRO 76 HB3 PRO 76 11.093 -4.841 9.612 578 HG2 PRO 76 HG2 PRO 76 8.831 -4.766 7.657 579 HG3 PRO 76 HG3 PRO 76 8.860 -4.266 9.359 580 HD2 PRO 76 HD2 PRO 76 8.984 -2.471 7.370 581 HD3 PRO 76 HD3 PRO 76 9.896 -2.248 8.878 582 H ASP 77 H ASP 77 10.267 -4.344 5.486 583 HA ASP 77 HA ASP 77 11.088 -6.860 4.441 584 HB2 ASP 77 HB2 ASP 77 9.567 -4.562 3.201 585 HB3 ASP 77 HB3 ASP 77 9.844 -6.098 2.387 586 H GLU 78 H GLU 78 12.213 -7.241 2.444 587 HA GLU 78 HA GLU 78 14.491 -5.464 2.135 588 HB2 GLU 78 HB2 GLU 78 15.303 -7.292 0.586 589 HB3 GLU 78 HB3 GLU 78 15.063 -7.766 2.262 590 HG2 GLU 78 HG2 GLU 78 13.059 -8.911 1.748 591 HG3 GLU 78 HG3 GLU 78 12.997 -8.216 0.130 592 H ILE 79 H ILE 79 15.177 -4.614 0.115 593 HA ILE 79 HA ILE 79 13.210 -4.616 -2.055 594 HB ILE 79 HB ILE 79 14.409 -2.044 -1.033 595 HG12 ILE 79 HG12 ILE 79 12.836 -2.949 0.635 596 HG13 ILE 79 HG13 ILE 79 12.219 -1.484 -0.127 597 HG21 ILE 79 HG21 ILE 79 13.404 -2.623 -3.487 598 HG22 ILE 79 HG22 ILE 79 13.435 -1.019 -2.759 599 HG23 ILE 79 HG23 ILE 79 11.977 -2.001 -2.659 600 HD11 ILE 79 HD11 ILE 79 10.768 -3.708 0.233 601 HD12 ILE 79 HD12 ILE 79 11.408 -4.018 -1.381 602 HD13 ILE 79 HD13 ILE 79 10.483 -2.550 -1.066 603 H GLN 80 H GLN 80 14.103 -4.572 -4.055 604 HA GLN 80 HA GLN 80 16.965 -4.790 -4.303 605 HB2 GLN 80 HB2 GLN 80 14.740 -4.716 -6.355 606 HB3 GLN 80 HB3 GLN 80 16.435 -4.951 -6.762 607 HG2 GLN 80 HG2 GLN 80 15.868 -7.120 -6.657 608 HG3 GLN 80 HG3 GLN 80 16.141 -6.886 -4.931 609 HE21 GLN 80 HE22 GLN 80 14.530 -8.905 -5.870 610 HE22 GLN 80 HE32 GLN 80 12.890 -8.581 -5.437 611 H GLY 81 H GLY 81 14.442 -2.522 -5.154 612 HA2 GLY 81 HA2 GLY 81 16.445 -0.372 -5.390 613 HA3 GLY 81 HA3 GLY 81 15.141 -0.520 -6.571 614 H PHE 82 H PHE 82 12.987 -0.197 -5.905 615 HA PHE 82 HA PHE 82 12.214 0.358 -3.285 616 HB2 PHE 82 HB2 PHE 82 11.906 2.834 -4.873 617 HB3 PHE 82 HB3 PHE 82 11.850 2.552 -3.122 618 HD1 PHE 82 HD2 PHE 82 14.101 2.962 -6.016 619 HD2 PHE 82 HD1 PHE 82 13.804 2.743 -1.778 620 HE1 PHE 82 HE2 PHE 82 16.423 3.750 -5.817 621 HE2 PHE 82 HE1 PHE 82 16.125 3.533 -1.569 622 HZ PHE 82 HZ PHE 82 17.438 4.036 -3.591 623 HA PRO 83 HA PRO 83 8.655 1.759 -6.236 624 HB2 PRO 83 HB2 PRO 83 9.223 0.468 -8.619 625 HB3 PRO 83 HB3 PRO 83 9.146 2.197 -8.316 626 HG2 PRO 83 HG2 PRO 83 11.517 0.414 -8.470 627 HG3 PRO 83 HG3 PRO 83 11.352 2.111 -8.966 628 HD2 PRO 83 HD2 PRO 83 12.604 1.480 -6.711 629 HD3 PRO 83 HD3 PRO 83 11.519 2.888 -6.775 630 H THR 84 H THR 84 8.499 0.241 -4.559 631 HA THR 84 HA THR 84 7.970 -2.518 -5.391 632 HB THR 84 HB THR 84 8.225 -2.775 -2.773 633 HG1 THR 84 HG1 THR 84 8.473 -0.393 -2.668 634 HG21 THR 84 HG21 THR 84 9.762 -3.600 -4.663 635 HG22 THR 84 HG22 THR 84 10.401 -3.475 -3.023 636 HG23 THR 84 HG23 THR 84 10.763 -2.218 -4.209 637 H ILE 85 H ILE 85 6.147 -3.560 -4.699 638 HA ILE 85 HA ILE 85 4.125 -2.022 -3.237 639 HB ILE 85 HB ILE 85 3.281 -3.589 -5.650 640 HG12 ILE 85 HG12 ILE 85 4.994 -1.913 -6.379 641 HG13 ILE 85 HG13 ILE 85 3.391 -1.624 -7.049 642 HG21 ILE 85 HG21 ILE 85 1.571 -1.536 -5.446 643 HG22 ILE 85 HG22 ILE 85 2.084 -1.661 -3.763 644 HG23 ILE 85 HG23 ILE 85 1.369 -3.055 -4.573 645 HD11 ILE 85 HD11 ILE 85 3.607 -0.184 -4.615 646 HD12 ILE 85 HD12 ILE 85 3.432 0.434 -6.257 647 HD13 ILE 85 HD13 ILE 85 5.038 0.143 -5.591 648 H LYS 86 H LYS 86 3.849 -3.267 -1.488 649 HA LYS 86 HA LYS 86 3.658 -6.179 -1.867 650 HB2 LYS 86 HB2 LYS 86 4.943 -4.512 0.141 651 HB3 LYS 86 HB3 LYS 86 3.880 -5.711 0.866 652 HG2 LYS 86 HG2 LYS 86 5.206 -7.433 0.289 653 HG3 LYS 86 HG3 LYS 86 5.653 -6.711 -1.258 654 HD2 LYS 86 HD2 LYS 86 7.403 -5.531 -0.356 655 HD3 LYS 86 HD3 LYS 86 6.666 -5.455 1.246 656 HE2 LYS 86 HE2 LYS 86 8.706 -6.950 0.989 657 HE3 LYS 86 HE3 LYS 86 7.287 -7.664 1.753 658 HZ1 LYS 86 HZ1 LYS 86 6.842 -8.957 -0.081 659 HZ2 LYS 86 HZ2 LYS 86 8.533 -8.961 -0.078 660 HZ3 LYS 86 HZ3 LYS 86 7.694 -7.956 -1.148 661 H LEU 87 H LEU 87 2.015 -7.346 -0.868 662 HA LEU 87 HA LEU 87 -0.223 -5.773 0.212 663 HB2 LEU 87 HB2 LEU 87 -0.722 -6.369 -2.110 664 HB3 LEU 87 HB3 LEU 87 -0.404 -8.055 -1.758 665 HG LEU 87 HG LEU 87 -2.844 -7.330 -1.911 666 HD11 LEU 87 HD11 LEU 87 -3.213 -9.256 -0.885 667 HD12 LEU 87 HD12 LEU 87 -2.811 -8.552 0.680 668 HD13 LEU 87 HD13 LEU 87 -1.540 -9.243 -0.329 669 HD21 LEU 87 HD21 LEU 87 -2.203 -5.322 -0.296 670 HD22 LEU 87 HD22 LEU 87 -2.656 -6.506 0.930 671 HD23 LEU 87 HD23 LEU 87 -3.815 -6.037 -0.314 672 H TYR 88 H TYR 88 -0.685 -6.407 2.204 673 HA TYR 88 HA TYR 88 0.168 -9.048 3.107 674 HB2 TYR 88 HB2 TYR 88 -0.021 -6.465 4.313 675 HB3 TYR 88 HB3 TYR 88 -1.051 -7.573 5.213 676 HD1 TYR 88 HD2 TYR 88 2.397 -7.333 3.803 677 HD2 TYR 88 HD1 TYR 88 -0.106 -8.889 6.871 678 HE1 TYR 88 HE2 TYR 88 4.377 -8.218 4.962 679 HE2 TYR 88 HE1 TYR 88 1.867 -9.776 8.040 680 HH TYR 88 HH TYR 88 4.970 -9.894 6.579 681 HA PRO 89 HA PRO 89 -4.151 -10.251 2.388 682 HB2 PRO 89 HB2 PRO 89 -3.737 -12.906 2.874 683 HB3 PRO 89 HB3 PRO 89 -3.411 -12.136 1.317 684 HG2 PRO 89 HG2 PRO 89 -1.513 -12.821 3.528 685 HG3 PRO 89 HG3 PRO 89 -1.311 -13.019 1.777 686 HD2 PRO 89 HD2 PRO 89 -0.188 -10.973 3.125 687 HD3 PRO 89 HD3 PRO 89 -0.778 -10.792 1.460 688 H ALA 90 H ALA 90 -5.610 -9.915 3.926 689 HA ALA 90 HA ALA 90 -5.081 -10.035 6.683 690 HB1 ALA 90 HB1 ALA 90 -7.116 -9.107 6.928 691 HB2 ALA 90 HB2 ALA 90 -7.898 -10.294 5.884 692 HB3 ALA 90 HB3 ALA 90 -7.036 -8.929 5.175 693 H GLY 91 H GLY 91 -5.119 -11.659 8.102 694 HA2 GLY 91 HA2 GLY 91 -6.002 -13.633 9.068 695 HA3 GLY 91 HA3 GLY 91 -6.694 -14.057 7.509 696 H ALA 92 H ALA 92 -4.149 -13.472 6.116 697 HA ALA 92 HA ALA 92 -2.722 -15.927 6.893 698 HB1 ALA 92 HB1 ALA 92 -3.441 -16.355 4.752 699 HB2 ALA 92 HB2 ALA 92 -1.849 -15.663 4.438 700 HB3 ALA 92 HB3 ALA 92 -3.296 -14.671 4.250 701 H LYS 93 H LYS 93 -1.598 -14.545 8.490 702 HA LYS 93 HA LYS 93 0.135 -12.460 7.632 703 HB2 LYS 93 HB2 LYS 93 -0.817 -13.039 10.012 704 HB3 LYS 93 HB3 LYS 93 0.636 -14.021 10.135 705 HG2 LYS 93 HG2 LYS 93 1.769 -11.767 9.313 706 HG3 LYS 93 HG3 LYS 93 0.332 -11.077 10.070 707 HD2 LYS 93 HD2 LYS 93 0.874 -11.994 12.173 708 HD3 LYS 93 HD3 LYS 93 2.078 -13.080 11.476 709 HE2 LYS 93 HE2 LYS 93 2.249 -10.078 11.697 710 HE3 LYS 93 HE3 LYS 93 3.196 -11.262 12.597 711 HZ1 LYS 93 HZ1 LYS 93 3.952 -12.029 10.285 712 HZ2 LYS 93 HZ2 LYS 93 4.613 -10.603 10.910 713 HZ3 LYS 93 HZ3 LYS 93 3.387 -10.527 9.748 714 H GLY 94 H GLY 94 0.909 -13.944 5.780 715 HA2 GLY 94 HA2 GLY 94 3.604 -14.431 6.028 716 HA3 GLY 94 HA3 GLY 94 2.833 -15.962 6.413 717 H GLN 95 H GLN 95 1.760 -13.555 4.053 718 HA GLN 95 HA GLN 95 2.719 -15.133 1.832 719 HB2 GLN 95 HB2 GLN 95 -0.211 -14.945 2.506 720 HB3 GLN 95 HB3 GLN 95 0.349 -15.268 0.871 721 HG2 GLN 95 HG2 GLN 95 0.853 -16.948 3.315 722 HG3 GLN 95 HG3 GLN 95 -0.211 -17.333 1.962 723 HE21 GLN 95 HE22 GLN 95 1.337 -16.647 -0.178 724 HE22 GLN 95 HE32 GLN 95 2.726 -17.671 -0.251 725 HA PRO 96 HA PRO 96 1.909 -10.530 1.122 726 HB2 PRO 96 HB2 PRO 96 4.393 -9.540 1.381 727 HB3 PRO 96 HB3 PRO 96 3.336 -9.772 2.780 728 HG2 PRO 96 HG2 PRO 96 5.574 -11.497 1.792 729 HG3 PRO 96 HG3 PRO 96 5.181 -11.018 3.453 730 HD2 PRO 96 HD2 PRO 96 4.505 -13.439 2.374 731 HD3 PRO 96 HD3 PRO 96 3.592 -12.655 3.677 732 H VAL 97 H VAL 97 1.916 -9.876 -0.955 733 HA VAL 97 HA VAL 97 3.512 -11.365 -2.871 734 HB VAL 97 HB VAL 97 2.215 -10.270 -4.597 735 HG11 VAL 97 HG11 VAL 97 1.240 -12.053 -2.774 736 HG12 VAL 97 HG12 VAL 97 0.438 -11.593 -4.276 737 HG13 VAL 97 HG13 VAL 97 -0.001 -10.799 -2.763 738 HG21 VAL 97 HG21 VAL 97 1.810 -8.090 -4.056 739 HG22 VAL 97 HG22 VAL 97 1.446 -8.460 -2.371 740 HG23 VAL 97 HG23 VAL 97 0.249 -8.787 -3.624 741 H THR 98 H THR 98 4.862 -10.388 -4.454 742 HA THR 98 HA THR 98 5.874 -7.723 -3.717 743 HB THR 98 HB THR 98 7.648 -9.918 -4.767 744 HG1 THR 98 HG1 THR 98 8.214 -10.336 -2.622 745 HG21 THR 98 HG21 THR 98 9.144 -8.288 -4.784 746 HG22 THR 98 HG22 THR 98 9.050 -8.290 -3.022 747 HG23 THR 98 HG23 THR 98 8.048 -7.180 -3.958 748 H TYR 99 H TYR 99 5.548 -6.348 -5.320 749 HA TYR 99 HA TYR 99 5.179 -7.316 -8.034 750 HB2 TYR 99 HB2 TYR 99 4.216 -5.107 -6.510 751 HB3 TYR 99 HB3 TYR 99 5.077 -4.467 -7.905 752 HD1 TYR 99 HD2 TYR 99 4.455 -6.680 -9.860 753 HD2 TYR 99 HD1 TYR 99 1.992 -4.600 -7.084 754 HE1 TYR 99 HE2 TYR 99 2.494 -7.123 -11.277 755 HE2 TYR 99 HE1 TYR 99 0.025 -5.037 -8.492 756 HH TYR 99 HH TYR 99 0.262 -6.182 -11.678 757 H SER 100 H SER 100 6.522 -6.942 -9.731 758 HA SER 100 HA SER 100 9.184 -5.933 -9.077 759 HB2 SER 100 HB2 SER 100 8.071 -7.781 -11.119 760 HB3 SER 100 HB3 SER 100 9.481 -6.832 -11.589 761 HG SER 100 HG SER 100 9.359 -8.348 -9.199 762 H GLY 101 H GLY 101 6.737 -4.228 -9.613 763 HA2 GLY 101 HA2 GLY 101 7.232 -1.920 -10.375 764 HA3 GLY 101 HA3 GLY 101 7.894 -2.651 -11.830 765 H SER 102 H SER 102 5.220 -1.189 -10.497 766 HA SER 102 HA SER 102 3.209 -2.565 -12.043 767 HB2 SER 102 HB2 SER 102 1.940 -0.330 -11.241 768 HB3 SER 102 HB3 SER 102 2.159 -1.732 -10.194 769 HG SER 102 HG SER 102 3.097 -0.328 -8.937 770 H ARG 103 H ARG 103 2.175 -1.831 -13.874 771 HA ARG 103 HA ARG 103 3.517 0.387 -15.273 772 HB2 ARG 103 HB2 ARG 103 3.416 -2.139 -16.135 773 HB3 ARG 103 HB3 ARG 103 1.874 -1.588 -16.774 774 HG2 ARG 103 HG2 ARG 103 3.114 0.304 -17.862 775 HG3 ARG 103 HG3 ARG 103 4.609 -0.504 -17.387 776 HD2 ARG 103 HD2 ARG 103 4.334 -1.344 -19.501 777 HD3 ARG 103 HD3 ARG 103 3.490 -2.570 -18.556 778 HE ARG 103 HE ARG 103 1.551 -0.769 -19.203 779 HH11 ARG 103 HH11 ARG 103 3.863 -2.634 -21.034 780 HH12 ARG 103 HH12 ARG 103 2.849 -2.751 -22.434 781 HH21 ARG 103 HH21 ARG 103 0.216 -0.921 -21.042 782 HH22 ARG 103 HH22 ARG 103 0.778 -1.778 -22.438 783 H THR 104 H THR 104 0.444 -0.955 -14.298 784 HA THR 104 HA THR 104 -0.836 1.577 -15.010 785 HB THR 104 HB THR 104 -1.369 0.145 -16.879 786 HG1 THR 104 HG1 THR 104 -3.126 1.316 -16.385 787 HG21 THR 104 HG21 THR 104 -2.080 -2.003 -16.813 788 HG22 THR 104 HG22 THR 104 -2.840 -1.824 -15.232 789 HG23 THR 104 HG23 THR 104 -1.089 -1.996 -15.355 790 H VAL 105 H VAL 105 -3.024 1.774 -13.986 791 HA VAL 105 HA VAL 105 -2.829 0.985 -11.222 792 HB VAL 105 HB VAL 105 -5.104 2.455 -12.553 793 HG11 VAL 105 HG11 VAL 105 -4.206 2.732 -9.709 794 HG12 VAL 105 HG12 VAL 105 -5.298 1.435 -10.192 795 HG13 VAL 105 HG13 VAL 105 -5.770 3.119 -10.426 796 HG21 VAL 105 HG21 VAL 105 -3.443 3.928 -13.052 797 HG22 VAL 105 HG22 VAL 105 -2.396 3.358 -11.752 798 HG23 VAL 105 HG23 VAL 105 -3.750 4.428 -11.389 799 H GLU 106 H GLU 106 -4.737 0.087 -14.020 800 HA GLU 106 HA GLU 106 -6.806 -1.295 -12.743 801 HB2 GLU 106 HB2 GLU 106 -7.160 -2.422 -14.866 802 HB3 GLU 106 HB3 GLU 106 -6.807 -0.721 -15.142 803 HG2 GLU 106 HG2 GLU 106 -4.620 -1.199 -15.892 804 HG3 GLU 106 HG3 GLU 106 -4.711 -2.864 -15.321 805 H ASP 107 H ASP 107 -3.501 -2.193 -13.387 806 HA ASP 107 HA ASP 107 -3.914 -4.989 -12.805 807 HB2 ASP 107 HB2 ASP 107 -2.095 -3.882 -14.327 808 HB3 ASP 107 HB3 ASP 107 -1.217 -3.677 -12.815 809 H LEU 108 H LEU 108 -2.686 -2.145 -11.128 810 HA LEU 108 HA LEU 108 -1.680 -3.464 -8.850 811 HB2 LEU 108 HB2 LEU 108 -2.519 -0.673 -9.482 812 HB3 LEU 108 HB3 LEU 108 -2.258 -1.107 -7.803 813 HG LEU 108 HG LEU 108 -0.177 -1.515 -9.946 814 HD11 LEU 108 HD11 LEU 108 0.107 0.676 -7.988 815 HD12 LEU 108 HD12 LEU 108 -1.055 0.927 -9.290 816 HD13 LEU 108 HD13 LEU 108 0.631 0.577 -9.669 817 HD21 LEU 108 HD21 LEU 108 0.574 -2.812 -8.245 818 HD22 LEU 108 HD22 LEU 108 -0.333 -1.925 -7.020 819 HD23 LEU 108 HD23 LEU 108 1.172 -1.261 -7.656 820 H ILE 109 H ILE 109 -4.874 -2.206 -9.649 821 HA ILE 109 HA ILE 109 -6.005 -2.625 -7.071 822 HB ILE 109 HB ILE 109 -7.503 -2.505 -9.688 823 HG12 ILE 109 HG12 ILE 109 -7.165 -0.077 -8.005 824 HG13 ILE 109 HG13 ILE 109 -5.779 -0.579 -8.967 825 HG21 ILE 109 HG21 ILE 109 -8.381 -2.957 -7.098 826 HG22 ILE 109 HG22 ILE 109 -9.368 -2.468 -8.475 827 HG23 ILE 109 HG23 ILE 109 -8.717 -1.248 -7.380 828 HD11 ILE 109 HD11 ILE 109 -8.522 -0.137 -10.109 829 HD12 ILE 109 HD12 ILE 109 -7.010 -0.368 -10.987 830 HD13 ILE 109 HD13 ILE 109 -7.268 1.102 -10.047 831 H LYS 110 H LYS 110 -6.192 -4.443 -10.125 832 HA LYS 110 HA LYS 110 -7.799 -6.535 -9.190 833 HB2 LYS 110 HB2 LYS 110 -5.978 -6.117 -11.493 834 HB3 LYS 110 HB3 LYS 110 -6.363 -7.785 -11.093 835 HG2 LYS 110 HG2 LYS 110 -8.601 -5.846 -11.294 836 HG3 LYS 110 HG3 LYS 110 -7.822 -6.386 -12.782 837 HD2 LYS 110 HD2 LYS 110 -8.152 -8.738 -11.437 838 HD3 LYS 110 HD3 LYS 110 -9.584 -7.834 -10.939 839 HE2 LYS 110 HE2 LYS 110 -9.622 -7.309 -13.566 840 HE3 LYS 110 HE3 LYS 110 -8.818 -8.877 -13.600 841 HZ1 LYS 110 HZ1 LYS 110 -10.647 -9.916 -12.631 842 HZ2 LYS 110 HZ2 LYS 110 -11.342 -8.844 -13.739 843 HZ3 LYS 110 HZ3 LYS 110 -11.325 -8.463 -12.091 844 H PHE 111 H PHE 111 -4.447 -5.856 -8.696 845 HA PHE 111 HA PHE 111 -3.638 -8.513 -8.025 846 HB2 PHE 111 HB2 PHE 111 -2.311 -6.175 -8.564 847 HB3 PHE 111 HB3 PHE 111 -2.114 -6.306 -6.819 848 HD1 PHE 111 HD2 PHE 111 -2.227 -8.980 -9.403 849 HD2 PHE 111 HD1 PHE 111 0.093 -6.911 -6.497 850 HE1 PHE 111 HE2 PHE 111 -0.391 -10.585 -9.731 851 HE2 PHE 111 HE1 PHE 111 1.933 -8.511 -6.819 852 HZ PHE 111 HZ PHE 111 1.692 -10.352 -8.438 853 H ILE 112 H ILE 112 -4.494 -5.637 -6.128 854 HA ILE 112 HA ILE 112 -4.066 -6.646 -3.581 855 HB ILE 112 HB ILE 112 -6.272 -4.746 -4.386 856 HG12 ILE 112 HG12 ILE 112 -3.738 -3.714 -3.269 857 HG13 ILE 112 HG13 ILE 112 -3.630 -4.371 -4.898 858 HG21 ILE 112 HG21 ILE 112 -6.514 -5.613 -2.121 859 HG22 ILE 112 HG22 ILE 112 -6.072 -3.906 -2.097 860 HG23 ILE 112 HG23 ILE 112 -4.857 -5.136 -1.751 861 HD11 ILE 112 HD11 ILE 112 -5.854 -2.809 -5.070 862 HD12 ILE 112 HD12 ILE 112 -4.225 -2.322 -5.539 863 HD13 ILE 112 HD13 ILE 112 -4.847 -1.900 -3.944 864 H ALA 113 H ALA 113 -6.954 -6.883 -5.622 865 HA ALA 113 HA ALA 113 -8.424 -8.350 -3.627 866 HB1 ALA 113 HB1 ALA 113 -10.005 -7.325 -4.839 867 HB2 ALA 113 HB2 ALA 113 -9.836 -8.705 -5.924 868 HB3 ALA 113 HB3 ALA 113 -8.975 -7.205 -6.266 869 H GLU 114 H GLU 114 -6.203 -9.132 -6.125 870 HA GLU 114 HA GLU 114 -7.132 -11.809 -6.573 871 HB2 GLU 114 HB2 GLU 114 -4.954 -10.096 -7.550 872 HB3 GLU 114 HB3 GLU 114 -4.529 -11.798 -7.429 873 HG2 GLU 114 HG2 GLU 114 -7.001 -11.858 -8.631 874 HG3 GLU 114 HG3 GLU 114 -6.242 -10.431 -9.334 875 H ASN 115 H ASN 115 -4.315 -10.413 -4.892 876 HA ASN 115 HA ASN 115 -3.739 -12.989 -3.669 877 HB2 ASN 115 HB2 ASN 115 -2.211 -10.596 -2.819 878 HB3 ASN 115 HB3 ASN 115 -1.640 -12.205 -3.243 879 HD21 ASN 115 HD21 ASN 115 -1.887 -9.020 -4.213 880 HD22 ASN 115 HD22 ASN 115 -1.441 -9.214 -5.869 881 H GLY 116 H GLY 116 -4.902 -9.790 -2.770 882 HA2 GLY 116 HA2 GLY 116 -4.818 -10.056 0.014 883 HA3 GLY 116 HA3 GLY 116 -5.940 -9.031 -0.868 884 H LYS 117 H LYS 117 -5.695 -11.592 1.219 885 HA LYS 117 HA LYS 117 -7.687 -13.369 0.437 886 HB2 LYS 117 HB2 LYS 117 -6.052 -13.085 2.635 887 HB3 LYS 117 HB3 LYS 117 -7.652 -12.823 3.317 888 HG2 LYS 117 HG2 LYS 117 -8.243 -14.995 1.982 889 HG3 LYS 117 HG3 LYS 117 -6.500 -15.262 2.057 890 HD2 LYS 117 HD2 LYS 117 -7.128 -16.301 3.993 891 HD3 LYS 117 HD3 LYS 117 -6.885 -14.664 4.607 892 HE2 LYS 117 HE2 LYS 117 -9.194 -14.221 4.639 893 HE3 LYS 117 HE3 LYS 117 -9.558 -15.611 3.618 894 HZ1 LYS 117 HZ1 LYS 117 -10.138 -16.014 5.933 895 HZ2 LYS 117 HZ2 LYS 117 -8.536 -15.747 6.403 896 HZ3 LYS 117 HZ3 LYS 117 -8.919 -17.072 5.424 897 H TYR 118 H TYR 118 -7.933 -10.311 2.186 898 HA TYR 118 HA TYR 118 -10.732 -10.509 2.677 899 HB2 TYR 118 HB2 TYR 118 -8.600 -8.592 3.175 900 HB3 TYR 118 HB3 TYR 118 -10.097 -7.796 2.702 901 HD1 TYR 118 HD2 TYR 118 -9.932 -10.979 4.574 902 HD2 TYR 118 HD1 TYR 118 -10.594 -6.782 4.798 903 HE1 TYR 118 HE2 TYR 118 -10.790 -11.242 6.863 904 HE2 TYR 118 HE1 TYR 118 -11.453 -7.034 7.088 905 HH TYR 118 HH TYR 118 -12.537 -8.925 8.451 906 H LYS 119 H LYS 119 -8.943 -9.872 -0.123 907 HA LYS 119 HA LYS 119 -9.506 -9.228 -2.225 908 HB2 LYS 119 HB2 LYS 119 -12.180 -9.911 -1.058 909 HB3 LYS 119 HB3 LYS 119 -12.090 -9.182 -2.656 910 HG2 LYS 119 HG2 LYS 119 -11.356 -11.067 -3.610 911 HG3 LYS 119 HG3 LYS 119 -10.274 -11.443 -2.268 912 HD2 LYS 119 HD2 LYS 119 -12.713 -11.833 -1.123 913 HD3 LYS 119 HD3 LYS 119 -13.025 -12.331 -2.787 914 HE2 LYS 119 HE2 LYS 119 -10.887 -13.388 -0.941 915 HE3 LYS 119 HE3 LYS 119 -12.323 -14.245 -1.501 916 HZ1 LYS 119 HZ1 LYS 119 -10.011 -13.374 -3.146 917 HZ2 LYS 119 HZ2 LYS 119 -11.437 -14.019 -3.788 918 HZ3 LYS 119 HZ3 LYS 119 -10.462 -14.963 -2.779 919 H ALA 120 H ALA 120 -8.677 -7.160 -0.908 920 HA ALA 120 HA ALA 120 -10.521 -5.053 -0.494 921 HB1 ALA 120 HB1 ALA 120 -7.874 -5.463 0.084 922 HB2 ALA 120 HB2 ALA 120 -8.752 -3.950 0.311 923 HB3 ALA 120 HB3 ALA 120 -7.807 -4.210 -1.154 924 H ALA 121 H ALA 121 -11.717 -5.389 -2.555 925 HA ALA 121 HA ALA 121 -11.244 -3.305 -4.352 926 HB1 ALA 121 HB1 ALA 121 -10.092 -4.138 -6.099 927 HB2 ALA 121 HB2 ALA 121 -10.796 -5.747 -5.933 928 HB3 ALA 121 HB3 ALA 121 -9.459 -5.258 -4.893 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -12.794 26.338 6.737 2 H2 GLY 1 2H GLY 1 -12.369 26.330 5.100 3 H3 GLY 1 3H GLY 1 -12.735 27.790 5.871 4 HA2 GLY 1 HA3 GLY 1 -10.537 28.018 6.097 5 HA3 GLY 1 HA2 GLY 1 -10.756 26.897 7.432 6 HA PRO 2 HA PRO 2 -8.173 23.919 5.476 7 HB2 PRO 2 HB2 PRO 2 -9.505 21.562 5.700 8 HB3 PRO 2 HB3 PRO 2 -8.746 22.373 7.075 9 HG2 PRO 2 HG2 PRO 2 -11.618 22.361 6.230 10 HG3 PRO 2 HG3 PRO 2 -10.929 22.212 7.858 11 HD2 PRO 2 HD2 PRO 2 -11.960 24.533 6.917 12 HD3 PRO 2 HD3 PRO 2 -10.607 24.485 8.066 13 H LEU 3 H LEU 3 -8.408 21.811 3.932 14 HA LEU 3 HA LEU 3 -10.027 22.703 1.640 15 HB2 LEU 3 HB2 LEU 3 -8.262 21.408 0.286 16 HB3 LEU 3 HB3 LEU 3 -7.856 22.995 0.904 17 HG LEU 3 HG LEU 3 -6.052 21.255 1.099 18 HD11 LEU 3 HD11 LEU 3 -5.206 22.503 2.726 19 HD12 LEU 3 HD12 LEU 3 -6.416 21.947 3.882 20 HD13 LEU 3 HD13 LEU 3 -6.773 23.306 2.816 21 HD21 LEU 3 HD21 LEU 3 -7.820 19.505 1.858 22 HD22 LEU 3 HD22 LEU 3 -7.523 20.174 3.462 23 HD23 LEU 3 HD23 LEU 3 -6.197 19.466 2.542 24 H GLY 4 H GLY 4 -9.479 20.184 3.857 25 HA2 GLY 4 HA2 GLY 4 -11.211 18.469 3.951 26 HA3 GLY 4 HA3 GLY 4 -11.134 18.389 2.198 27 H SER 5 H SER 5 -8.597 18.351 4.697 28 HA SER 5 HA SER 5 -7.281 16.161 3.347 29 HB2 SER 5 HB2 SER 5 -6.619 17.861 5.739 30 HB3 SER 5 HB3 SER 5 -5.691 16.405 5.380 31 HG SER 5 HG SER 5 -4.708 17.465 3.868 32 H GLU 6 H GLU 6 -8.977 14.582 3.614 33 HA GLU 6 HA GLU 6 -9.672 13.686 6.257 34 HB2 GLU 6 HB2 GLU 6 -10.319 12.770 3.476 35 HB3 GLU 6 HB3 GLU 6 -10.691 11.742 4.853 36 HG2 GLU 6 HG2 GLU 6 -11.774 14.031 5.714 37 HG3 GLU 6 HG3 GLU 6 -11.937 14.266 3.974 38 H GLY 7 H GLY 7 -8.481 11.672 3.594 39 HA2 GLY 7 HA2 GLY 7 -6.061 10.892 4.786 40 HA3 GLY 7 HA3 GLY 7 -7.307 9.755 5.278 41 HA PRO 8 HA PRO 8 -7.179 9.424 0.415 42 HB2 PRO 8 HB2 PRO 8 -4.931 10.592 -0.691 43 HB3 PRO 8 HB3 PRO 8 -6.541 11.317 -0.679 44 HG2 PRO 8 HG2 PRO 8 -4.223 11.813 1.140 45 HG3 PRO 8 HG3 PRO 8 -5.383 12.968 0.460 46 HD2 PRO 8 HD2 PRO 8 -5.565 12.128 3.001 47 HD3 PRO 8 HD3 PRO 8 -7.014 12.439 2.021 48 H VAL 9 H VAL 9 -4.197 9.595 2.285 49 HA VAL 9 HA VAL 9 -3.601 6.841 1.515 50 HB VAL 9 HB VAL 9 -1.474 8.979 1.398 51 HG11 VAL 9 HG11 VAL 9 -1.526 6.026 0.914 52 HG12 VAL 9 HG12 VAL 9 -0.396 6.982 1.873 53 HG13 VAL 9 HG13 VAL 9 -0.332 7.047 0.112 54 HG21 VAL 9 HG21 VAL 9 -2.692 9.506 -0.483 55 HG22 VAL 9 HG22 VAL 9 -3.246 7.849 -0.721 56 HG23 VAL 9 HG23 VAL 9 -1.586 8.291 -1.123 57 H THR 10 H THR 10 -2.870 5.651 3.173 58 HA THR 10 HA THR 10 -2.766 6.798 5.787 59 HB THR 10 HB THR 10 -2.037 4.011 4.867 60 HG1 THR 10 HG1 THR 10 -4.131 3.499 5.428 61 HG21 THR 10 HG21 THR 10 -2.426 3.300 7.134 62 HG22 THR 10 HG22 THR 10 -2.777 4.957 7.624 63 HG23 THR 10 HG23 THR 10 -1.152 4.518 7.099 64 H VAL 11 H VAL 11 -1.030 7.077 7.151 65 HA VAL 11 HA VAL 11 1.585 7.190 5.828 66 HB VAL 11 HB VAL 11 0.724 8.456 8.433 67 HG11 VAL 11 HG11 VAL 11 3.061 8.186 8.509 68 HG12 VAL 11 HG12 VAL 11 2.801 9.853 7.992 69 HG13 VAL 11 HG13 VAL 11 3.248 8.623 6.810 70 HG21 VAL 11 HG21 VAL 11 0.118 10.341 7.335 71 HG22 VAL 11 HG22 VAL 11 -0.206 9.198 6.032 72 HG23 VAL 11 HG23 VAL 11 1.305 10.107 6.052 73 H VAL 12 H VAL 12 2.747 5.389 6.104 74 HA VAL 12 HA VAL 12 2.667 4.057 8.724 75 HB VAL 12 HB VAL 12 3.188 3.034 5.958 76 HG11 VAL 12 HG11 VAL 12 5.126 2.187 6.981 77 HG12 VAL 12 HG12 VAL 12 3.952 0.874 7.087 78 HG13 VAL 12 HG13 VAL 12 4.289 1.873 8.501 79 HG21 VAL 12 HG21 VAL 12 1.694 1.743 8.222 80 HG22 VAL 12 HG22 VAL 12 1.547 1.437 6.491 81 HG23 VAL 12 HG23 VAL 12 0.954 2.952 7.172 82 H VAL 13 H VAL 13 4.242 4.672 10.003 83 HA VAL 13 HA VAL 13 6.941 5.053 8.884 84 HB VAL 13 HB VAL 13 7.218 6.490 11.059 85 HG11 VAL 13 HG11 VAL 13 5.795 7.422 8.576 86 HG12 VAL 13 HG12 VAL 13 7.531 7.428 8.888 87 HG13 VAL 13 HG13 VAL 13 6.469 8.508 9.792 88 HG21 VAL 13 HG21 VAL 13 4.954 5.915 11.911 89 HG22 VAL 13 HG22 VAL 13 4.264 6.826 10.567 90 HG23 VAL 13 HG23 VAL 13 5.245 7.650 11.780 91 H ALA 14 H ALA 14 8.706 4.608 10.450 92 HA ALA 14 HA ALA 14 8.636 2.063 11.485 93 HB1 ALA 14 HB1 ALA 14 10.442 4.308 11.597 94 HB2 ALA 14 HB2 ALA 14 10.796 2.581 11.599 95 HB3 ALA 14 HB3 ALA 14 10.454 3.412 13.116 96 H LYS 15 H LYS 15 7.450 4.992 12.909 97 HA LYS 15 HA LYS 15 7.375 4.189 15.609 98 HB2 LYS 15 HB2 LYS 15 5.719 6.187 14.066 99 HB3 LYS 15 HB3 LYS 15 5.621 5.984 15.811 100 HG2 LYS 15 HG2 LYS 15 8.243 6.544 14.489 101 HG3 LYS 15 HG3 LYS 15 7.110 7.850 14.842 102 HD2 LYS 15 HD2 LYS 15 7.329 7.607 17.119 103 HD3 LYS 15 HD3 LYS 15 7.788 5.907 16.999 104 HE2 LYS 15 HE2 LYS 15 9.705 7.195 17.679 105 HE3 LYS 15 HE3 LYS 15 9.958 6.603 16.037 106 HZ1 LYS 15 HZ1 LYS 15 10.571 8.765 15.791 107 HZ2 LYS 15 HZ2 LYS 15 9.512 9.338 16.979 108 HZ3 LYS 15 HZ3 LYS 15 8.922 8.924 15.449 109 H ASN 16 H ASN 16 5.180 3.662 12.914 110 HA ASN 16 HA ASN 16 3.664 1.807 14.600 111 HB2 ASN 16 HB2 ASN 16 1.616 2.742 13.148 112 HB3 ASN 16 HB3 ASN 16 2.054 3.419 14.712 113 HD21 ASN 16 HD21 ASN 16 2.811 3.770 11.267 114 HD22 ASN 16 HD22 ASN 16 2.939 5.494 11.292 115 H TYR 17 H TYR 17 5.674 1.518 12.440 116 HA TYR 17 HA TYR 17 4.379 0.671 10.063 117 HB2 TYR 17 HB2 TYR 17 6.807 1.276 10.252 118 HB3 TYR 17 HB3 TYR 17 7.062 -0.240 11.112 119 HD1 TYR 17 HD1 TYR 17 6.217 -2.396 9.833 120 HD2 TYR 17 HD2 TYR 17 7.122 1.318 7.961 121 HE1 TYR 17 HE1 TYR 17 6.524 -3.557 7.691 122 HE2 TYR 17 HE2 TYR 17 7.430 0.163 5.813 123 HH TYR 17 HH TYR 17 6.359 -2.880 5.190 124 H ASN 18 H ASN 18 5.602 -1.067 12.894 125 HA ASN 18 HA ASN 18 4.943 -3.654 11.997 126 HB2 ASN 18 HB2 ASN 18 4.994 -2.829 14.888 127 HB3 ASN 18 HB3 ASN 18 5.416 -4.390 14.193 128 HD21 ASN 18 HD21 ASN 18 6.506 -1.254 15.023 129 HD22 ASN 18 HD22 ASN 18 8.154 -1.454 14.545 130 H GLU 19 H GLU 19 3.240 -1.561 14.333 131 HA GLU 19 HA GLU 19 1.069 -3.166 14.843 132 HB2 GLU 19 HB2 GLU 19 1.667 -0.320 15.039 133 HB3 GLU 19 HB3 GLU 19 -0.041 -0.625 14.752 134 HG2 GLU 19 HG2 GLU 19 -0.352 -1.605 16.770 135 HG3 GLU 19 HG3 GLU 19 1.288 -2.248 16.837 136 H ILE 20 H ILE 20 1.621 -1.115 12.046 137 HA ILE 20 HA ILE 20 -1.022 -1.395 10.990 138 HB ILE 20 HB ILE 20 1.544 -0.457 9.710 139 HG12 ILE 20 HG12 ILE 20 0.518 0.922 11.544 140 HG13 ILE 20 HG13 ILE 20 0.648 1.751 9.997 141 HG21 ILE 20 HG21 ILE 20 0.098 0.428 7.896 142 HG22 ILE 20 HG22 ILE 20 -1.252 -0.476 8.581 143 HG23 ILE 20 HG23 ILE 20 0.155 -1.334 7.953 144 HD11 ILE 20 HD11 ILE 20 -1.572 1.958 9.788 145 HD12 ILE 20 HD12 ILE 20 -1.564 1.714 11.534 146 HD13 ILE 20 HD13 ILE 20 -1.892 0.358 10.455 147 H VAL 21 H VAL 21 1.926 -2.343 9.261 148 HA VAL 21 HA VAL 21 0.874 -4.161 7.545 149 HB VAL 21 HB VAL 21 3.534 -4.549 8.921 150 HG11 VAL 21 HG11 VAL 21 4.208 -5.613 6.849 151 HG12 VAL 21 HG12 VAL 21 2.613 -5.321 6.156 152 HG13 VAL 21 HG13 VAL 21 2.793 -6.426 7.519 153 HG21 VAL 21 HG21 VAL 21 4.248 -3.248 6.743 154 HG22 VAL 21 HG22 VAL 21 3.765 -2.385 8.203 155 HG23 VAL 21 HG23 VAL 21 2.619 -2.585 6.877 156 H LEU 22 H LEU 22 1.525 -4.644 10.937 157 HA LEU 22 HA LEU 22 1.321 -7.466 10.998 158 HB2 LEU 22 HB2 LEU 22 1.064 -5.292 13.041 159 HB3 LEU 22 HB3 LEU 22 0.663 -6.937 13.466 160 HG LEU 22 HG LEU 22 3.343 -6.142 12.342 161 HD11 LEU 22 HD11 LEU 22 4.210 -5.978 14.511 162 HD12 LEU 22 HD12 LEU 22 2.765 -6.684 15.237 163 HD13 LEU 22 HD13 LEU 22 2.707 -5.056 14.562 164 HD21 LEU 22 HD21 LEU 22 2.922 -8.523 14.050 165 HD22 LEU 22 HD22 LEU 22 3.996 -8.289 12.671 166 HD23 LEU 22 HD23 LEU 22 2.278 -8.588 12.409 167 H ASP 23 H ASP 23 -1.048 -4.868 11.482 168 HA ASP 23 HA ASP 23 -3.236 -6.227 12.371 169 HB2 ASP 23 HB2 ASP 23 -2.778 -3.716 11.302 170 HB3 ASP 23 HB3 ASP 23 -3.962 -4.412 10.200 171 H ASP 24 H ASP 24 -3.429 -8.317 11.642 172 HA ASP 24 HA ASP 24 -3.654 -8.887 8.815 173 HB2 ASP 24 HB2 ASP 24 -3.447 -10.466 11.311 174 HB3 ASP 24 HB3 ASP 24 -4.346 -11.216 9.996 175 H THR 25 H THR 25 -5.767 -7.850 11.226 176 HA THR 25 HA THR 25 -8.101 -9.291 10.492 177 HB THR 25 HB THR 25 -8.884 -6.807 11.576 178 HG1 THR 25 HG1 THR 25 -6.665 -7.841 12.993 179 HG21 THR 25 HG21 THR 25 -8.453 -9.501 12.829 180 HG22 THR 25 HG22 THR 25 -9.966 -8.789 12.265 181 HG23 THR 25 HG23 THR 25 -9.156 -8.129 13.686 182 H LYS 26 H LYS 26 -6.392 -6.894 8.859 183 HA LYS 26 HA LYS 26 -8.645 -6.500 7.047 184 HB2 LYS 26 HB2 LYS 26 -7.717 -4.008 6.920 185 HB3 LYS 26 HB3 LYS 26 -8.981 -4.478 8.047 186 HG2 LYS 26 HG2 LYS 26 -7.198 -4.810 9.772 187 HG3 LYS 26 HG3 LYS 26 -6.054 -4.102 8.629 188 HD2 LYS 26 HD2 LYS 26 -7.861 -2.184 8.535 189 HD3 LYS 26 HD3 LYS 26 -8.296 -2.826 10.121 190 HE2 LYS 26 HE2 LYS 26 -5.986 -2.534 10.870 191 HE3 LYS 26 HE3 LYS 26 -5.549 -1.899 9.285 192 HZ1 LYS 26 HZ1 LYS 26 -7.169 -0.654 11.400 193 HZ2 LYS 26 HZ2 LYS 26 -7.429 -0.211 9.789 194 HZ3 LYS 26 HZ3 LYS 26 -5.904 0.006 10.489 195 H ASP 27 H ASP 27 -7.887 -5.324 5.013 196 HA ASP 27 HA ASP 27 -5.532 -6.687 4.050 197 HB2 ASP 27 HB2 ASP 27 -7.835 -5.289 2.873 198 HB3 ASP 27 HB3 ASP 27 -6.326 -5.048 1.997 199 H VAL 28 H VAL 28 -3.542 -5.849 3.842 200 HA VAL 28 HA VAL 28 -3.239 -2.948 4.258 201 HB VAL 28 HB VAL 28 -1.293 -5.150 4.962 202 HG11 VAL 28 HG11 VAL 28 -0.345 -2.977 6.224 203 HG12 VAL 28 HG12 VAL 28 -1.030 -2.213 4.790 204 HG13 VAL 28 HG13 VAL 28 0.190 -3.475 4.619 205 HG21 VAL 28 HG21 VAL 28 -3.094 -3.408 6.626 206 HG22 VAL 28 HG22 VAL 28 -1.731 -4.304 7.297 207 HG23 VAL 28 HG23 VAL 28 -3.066 -5.169 6.535 208 H LEU 29 H LEU 29 -1.990 -1.783 2.906 209 HA LEU 29 HA LEU 29 -0.575 -3.190 0.746 210 HB2 LEU 29 HB2 LEU 29 -2.985 -2.001 0.333 211 HB3 LEU 29 HB3 LEU 29 -1.901 -0.667 -0.007 212 HG LEU 29 HG LEU 29 -2.063 -3.321 -1.419 213 HD11 LEU 29 HD11 LEU 29 -2.543 -1.989 -3.354 214 HD12 LEU 29 HD12 LEU 29 -2.242 -0.499 -2.460 215 HD13 LEU 29 HD13 LEU 29 -3.634 -1.504 -2.057 216 HD21 LEU 29 HD21 LEU 29 0.206 -1.468 -1.155 217 HD22 LEU 29 HD22 LEU 29 -0.196 -1.937 -2.807 218 HD23 LEU 29 HD23 LEU 29 0.176 -3.172 -1.605 219 H ILE 30 H ILE 30 1.461 -2.710 1.463 220 HA ILE 30 HA ILE 30 2.093 0.099 2.033 221 HB ILE 30 HB ILE 30 2.761 -1.497 3.752 222 HG12 ILE 30 HG12 ILE 30 5.292 -0.610 2.384 223 HG13 ILE 30 HG13 ILE 30 4.171 0.560 3.074 224 HG21 ILE 30 HG21 ILE 30 4.536 -3.150 3.287 225 HG22 ILE 30 HG22 ILE 30 4.415 -2.758 1.572 226 HG23 ILE 30 HG23 ILE 30 3.041 -3.480 2.411 227 HD11 ILE 30 HD11 ILE 30 4.826 -1.585 4.917 228 HD12 ILE 30 HD12 ILE 30 4.883 0.164 5.139 229 HD13 ILE 30 HD13 ILE 30 6.239 -0.673 4.384 230 H GLU 31 H GLU 31 3.394 1.288 0.775 231 HA GLU 31 HA GLU 31 4.802 -0.061 -1.437 232 HB2 GLU 31 HB2 GLU 31 2.875 1.037 -2.387 233 HB3 GLU 31 HB3 GLU 31 3.236 2.524 -1.521 234 HG2 GLU 31 HG2 GLU 31 5.364 1.547 -3.299 235 HG3 GLU 31 HG3 GLU 31 3.881 2.070 -4.095 236 H PHE 32 H PHE 32 6.934 0.263 -1.350 237 HA PHE 32 HA PHE 32 7.951 2.465 0.284 238 HB2 PHE 32 HB2 PHE 32 9.695 0.366 -0.968 239 HB3 PHE 32 HB3 PHE 32 9.962 1.295 0.499 240 HD1 PHE 32 HD1 PHE 32 7.871 -1.406 -0.947 241 HD2 PHE 32 HD2 PHE 32 9.360 0.449 2.581 242 HE1 PHE 32 HE1 PHE 32 6.980 -3.261 0.399 243 HE2 PHE 32 HE2 PHE 32 8.472 -1.403 3.934 244 HZ PHE 32 HZ PHE 32 7.279 -3.261 2.843 245 H TYR 33 H TYR 33 9.460 3.962 -0.459 246 HA TYR 33 HA TYR 33 10.381 3.974 -3.167 247 HB2 TYR 33 HB2 TYR 33 9.181 5.952 -3.927 248 HB3 TYR 33 HB3 TYR 33 8.037 4.683 -3.503 249 HD1 TYR 33 HD1 TYR 33 7.177 4.800 -0.990 250 HD2 TYR 33 HD2 TYR 33 8.764 8.089 -3.172 251 HE1 TYR 33 HE1 TYR 33 6.017 6.355 0.522 252 HE2 TYR 33 HE2 TYR 33 7.608 9.654 -1.667 253 HH TYR 33 HH TYR 33 6.457 8.890 1.248 254 H ALA 34 H ALA 34 11.602 5.993 -3.669 255 HA ALA 34 HA ALA 34 12.796 7.070 -1.200 256 HB1 ALA 34 HB1 ALA 34 14.639 7.693 -3.022 257 HB2 ALA 34 HB2 ALA 34 13.919 6.301 -3.831 258 HB3 ALA 34 HB3 ALA 34 14.597 6.127 -2.212 259 HA PRO 35 HA PRO 35 11.337 11.084 -2.350 260 HB2 PRO 35 HB2 PRO 35 12.995 12.649 -0.918 261 HB3 PRO 35 HB3 PRO 35 11.759 11.643 -0.154 262 HG2 PRO 35 HG2 PRO 35 14.694 11.150 -0.442 263 HG3 PRO 35 HG3 PRO 35 13.639 10.855 0.952 264 HD2 PRO 35 HD2 PRO 35 14.432 8.903 -0.802 265 HD3 PRO 35 HD3 PRO 35 12.931 8.835 0.141 266 H TRP 36 H TRP 36 14.158 9.825 -3.517 267 HA TRP 36 HA TRP 36 14.818 12.286 -4.990 268 HB2 TRP 36 HB2 TRP 36 17.055 10.947 -5.371 269 HB3 TRP 36 HB3 TRP 36 16.797 11.854 -3.885 270 HD1 TRP 36 HD1 TRP 36 15.780 10.250 -1.771 271 HE1 TRP 36 HE1 TRP 36 16.535 7.881 -1.109 272 HE3 TRP 36 HE3 TRP 36 18.008 8.859 -6.156 273 HZ2 TRP 36 HZ2 TRP 36 17.902 5.711 -2.292 274 HZ3 TRP 36 HZ3 TRP 36 19.017 6.621 -6.308 275 HH2 TRP 36 HH2 TRP 36 18.965 5.080 -4.414 276 H CYS 37 H CYS 37 13.811 8.996 -5.217 277 HA CYS 37 HA CYS 37 14.605 8.523 -7.908 278 HB2 CYS 37 HB2 CYS 37 14.096 6.693 -6.347 279 HB3 CYS 37 HB3 CYS 37 12.417 7.215 -6.279 280 HG CYS 37 HG CYS 37 12.728 5.214 -7.974 281 H GLY 38 H GLY 38 13.613 8.980 -9.794 282 HA2 GLY 38 HA2 GLY 38 11.384 10.822 -9.735 283 HA3 GLY 38 HA3 GLY 38 12.272 10.301 -11.159 284 H HIS 39 H HIS 39 11.901 7.454 -10.540 285 HA HIS 39 HA HIS 39 9.555 6.999 -12.003 286 HB2 HIS 39 HB2 HIS 39 11.687 5.473 -11.337 287 HB3 HIS 39 HB3 HIS 39 10.483 4.814 -10.234 288 HD1 HIS 39 HD1 HIS 39 8.147 5.348 -12.472 289 HD2 HIS 39 HD2 HIS 39 11.617 3.093 -12.848 290 HE1 HIS 39 HE1 HIS 39 7.686 3.708 -14.322 291 HE2 HIS 39 HE2 HIS 39 9.829 2.411 -14.588 292 H CYS 40 H CYS 40 10.181 6.830 -8.522 293 HA CYS 40 HA CYS 40 7.618 5.874 -7.813 294 HB2 CYS 40 HB2 CYS 40 8.207 6.445 -5.544 295 HB3 CYS 40 HB3 CYS 40 9.622 5.764 -6.340 296 HG CYS 40 HG CYS 40 10.529 7.795 -5.145 297 H LYS 41 H LYS 41 8.884 9.073 -8.445 298 HA LYS 41 HA LYS 41 6.910 10.631 -7.230 299 HB2 LYS 41 HB2 LYS 41 8.742 11.035 -9.562 300 HB3 LYS 41 HB3 LYS 41 7.476 12.210 -9.265 301 HG2 LYS 41 HG2 LYS 41 10.009 12.217 -8.190 302 HG3 LYS 41 HG3 LYS 41 8.641 13.181 -7.646 303 HD2 LYS 41 HD2 LYS 41 8.936 10.416 -6.576 304 HD3 LYS 41 HD3 LYS 41 10.031 11.664 -5.986 305 HE2 LYS 41 HE2 LYS 41 7.218 12.476 -6.081 306 HE3 LYS 41 HE3 LYS 41 7.550 11.145 -4.975 307 HZ1 LYS 41 HZ1 LYS 41 9.218 12.481 -3.887 308 HZ2 LYS 41 HZ2 LYS 41 7.750 13.321 -3.906 309 HZ3 LYS 41 HZ3 LYS 41 8.982 13.747 -4.984 310 H ALA 42 H ALA 42 6.972 9.000 -10.348 311 HA ALA 42 HA ALA 42 4.512 10.111 -11.284 312 HB1 ALA 42 HB1 ALA 42 4.688 8.572 -13.100 313 HB2 ALA 42 HB2 ALA 42 5.821 7.559 -12.206 314 HB3 ALA 42 HB3 ALA 42 6.312 9.164 -12.747 315 H LEU 43 H LEU 43 5.411 7.362 -9.343 316 HA LEU 43 HA LEU 43 2.823 6.097 -9.525 317 HB2 LEU 43 HB2 LEU 43 5.273 5.134 -8.993 318 HB3 LEU 43 HB3 LEU 43 4.708 5.378 -7.353 319 HG LEU 43 HG LEU 43 4.365 3.068 -8.261 320 HD11 LEU 43 HD11 LEU 43 3.007 4.202 -6.414 321 HD12 LEU 43 HD12 LEU 43 2.332 2.755 -7.164 322 HD13 LEU 43 HD13 LEU 43 1.732 4.348 -7.623 323 HD21 LEU 43 HD21 LEU 43 2.767 2.615 -9.915 324 HD22 LEU 43 HD22 LEU 43 3.715 3.955 -10.561 325 HD23 LEU 43 HD23 LEU 43 2.122 4.255 -9.865 326 H ALA 44 H ALA 44 3.779 8.837 -8.019 327 HA ALA 44 HA ALA 44 2.754 8.523 -5.399 328 HB1 ALA 44 HB1 ALA 44 3.473 10.859 -7.109 329 HB2 ALA 44 HB2 ALA 44 4.155 10.339 -5.569 330 HB3 ALA 44 HB3 ALA 44 2.575 11.121 -5.615 331 HA PRO 45 HA PRO 45 -1.252 10.737 -7.048 332 HB2 PRO 45 HB2 PRO 45 -1.570 10.656 -9.782 333 HB3 PRO 45 HB3 PRO 45 -0.928 12.041 -8.892 334 HG2 PRO 45 HG2 PRO 45 0.536 9.891 -10.367 335 HG3 PRO 45 HG3 PRO 45 0.861 11.634 -10.309 336 HD2 PRO 45 HD2 PRO 45 2.301 9.884 -8.872 337 HD3 PRO 45 HD3 PRO 45 1.904 11.497 -8.245 338 H LYS 46 H LYS 46 0.049 8.030 -8.912 339 HA LYS 46 HA LYS 46 -2.430 6.753 -9.405 340 HB2 LYS 46 HB2 LYS 46 0.212 5.327 -9.161 341 HB3 LYS 46 HB3 LYS 46 -1.163 4.906 -10.172 342 HG2 LYS 46 HG2 LYS 46 -0.645 7.267 -11.240 343 HG3 LYS 46 HG3 LYS 46 0.966 6.925 -10.604 344 HD2 LYS 46 HD2 LYS 46 1.310 5.184 -12.033 345 HD3 LYS 46 HD3 LYS 46 -0.401 4.755 -12.094 346 HE2 LYS 46 HE2 LYS 46 0.180 5.593 -14.239 347 HE3 LYS 46 HE3 LYS 46 -0.772 6.843 -13.439 348 HZ1 LYS 46 HZ1 LYS 46 1.115 8.138 -13.065 349 HZ2 LYS 46 HZ2 LYS 46 1.325 7.565 -14.642 350 HZ3 LYS 46 HZ3 LYS 46 2.183 6.861 -13.366 351 H TYR 47 H TYR 47 0.110 6.104 -6.992 352 HA TYR 47 HA TYR 47 -1.267 4.067 -5.638 353 HB2 TYR 47 HB2 TYR 47 1.216 4.794 -5.463 354 HB3 TYR 47 HB3 TYR 47 0.639 5.934 -4.251 355 HD1 TYR 47 HD2 TYR 47 0.392 2.297 -5.088 356 HD2 TYR 47 HD1 TYR 47 0.637 5.259 -2.043 357 HE1 TYR 47 HE2 TYR 47 0.496 0.528 -3.383 358 HE2 TYR 47 HE1 TYR 47 0.742 3.498 -0.330 359 HH TYR 47 HH TYR 47 1.361 0.280 -1.036 360 H GLU 48 H GLU 48 -1.496 7.535 -5.474 361 HA GLU 48 HA GLU 48 -2.897 7.622 -2.978 362 HB2 GLU 48 HB2 GLU 48 -1.562 9.515 -4.049 363 HB3 GLU 48 HB3 GLU 48 -2.941 9.749 -5.114 364 HG2 GLU 48 HG2 GLU 48 -4.152 10.761 -3.531 365 HG3 GLU 48 HG3 GLU 48 -3.624 9.646 -2.271 366 H GLU 49 H GLU 49 -3.785 7.315 -6.345 367 HA GLU 49 HA GLU 49 -6.531 7.948 -6.060 368 HB2 GLU 49 HB2 GLU 49 -4.908 7.501 -8.184 369 HB3 GLU 49 HB3 GLU 49 -5.775 5.972 -8.127 370 HG2 GLU 49 HG2 GLU 49 -7.882 7.500 -7.975 371 HG3 GLU 49 HG3 GLU 49 -6.804 8.716 -8.659 372 H LEU 50 H LEU 50 -5.013 4.755 -6.550 373 HA LEU 50 HA LEU 50 -7.269 3.245 -5.890 374 HB2 LEU 50 HB2 LEU 50 -5.417 2.283 -7.096 375 HB3 LEU 50 HB3 LEU 50 -4.337 2.576 -5.748 376 HG LEU 50 HG LEU 50 -5.195 0.182 -6.145 377 HD11 LEU 50 HD11 LEU 50 -4.211 -0.010 -4.174 378 HD12 LEU 50 HD12 LEU 50 -5.747 0.388 -3.406 379 HD13 LEU 50 HD13 LEU 50 -4.587 1.664 -3.771 380 HD21 LEU 50 HD21 LEU 50 -7.495 0.850 -4.419 381 HD22 LEU 50 HD22 LEU 50 -7.330 -0.385 -5.666 382 HD23 LEU 50 HD23 LEU 50 -7.641 1.290 -6.120 383 H GLY 51 H GLY 51 -4.597 4.429 -3.896 384 HA2 GLY 51 HA2 GLY 51 -5.004 3.066 -1.546 385 HA3 GLY 51 HA3 GLY 51 -4.453 4.732 -1.620 386 H ALA 52 H ALA 52 -6.317 6.337 -2.069 387 HA ALA 52 HA ALA 52 -8.135 6.150 0.092 388 HB1 ALA 52 HB1 ALA 52 -8.762 8.297 -0.429 389 HB2 ALA 52 HB2 ALA 52 -8.612 8.036 -2.167 390 HB3 ALA 52 HB3 ALA 52 -7.166 8.227 -1.175 391 H LEU 53 H LEU 53 -8.279 5.151 -3.206 392 HA LEU 53 HA LEU 53 -10.912 5.191 -3.892 393 HB2 LEU 53 HB2 LEU 53 -8.599 3.943 -4.775 394 HB3 LEU 53 HB3 LEU 53 -9.692 2.611 -4.472 395 HG LEU 53 HG LEU 53 -11.066 4.661 -5.939 396 HD11 LEU 53 HD11 LEU 53 -8.583 3.611 -7.283 397 HD12 LEU 53 HD12 LEU 53 -8.769 5.257 -6.677 398 HD13 LEU 53 HD13 LEU 53 -9.802 4.677 -7.980 399 HD21 LEU 53 HD21 LEU 53 -11.698 2.875 -7.296 400 HD22 LEU 53 HD22 LEU 53 -11.432 2.123 -5.722 401 HD23 LEU 53 HD23 LEU 53 -10.203 1.992 -6.982 402 H TYR 54 H TYR 54 -9.427 2.259 -2.515 403 HA TYR 54 HA TYR 54 -12.027 1.356 -1.596 404 HB2 TYR 54 HB2 TYR 54 -9.293 0.079 -1.377 405 HB3 TYR 54 HB3 TYR 54 -10.804 -0.682 -0.897 406 HD1 TYR 54 HD2 TYR 54 -12.122 0.824 -3.489 407 HD2 TYR 54 HD1 TYR 54 -8.978 -1.963 -2.811 408 HE1 TYR 54 HE2 TYR 54 -12.409 -0.045 -5.770 409 HE2 TYR 54 HE1 TYR 54 -9.257 -2.838 -5.091 410 HH TYR 54 HH TYR 54 -10.916 -1.266 -7.476 411 H ALA 55 H ALA 55 -9.075 2.635 -0.240 412 HA ALA 55 HA ALA 55 -9.266 1.969 2.399 413 HB1 ALA 55 HB1 ALA 55 -7.378 3.186 1.686 414 HB2 ALA 55 HB2 ALA 55 -8.201 4.212 2.862 415 HB3 ALA 55 HB3 ALA 55 -8.364 4.540 1.137 416 H LYS 56 H LYS 56 -11.288 4.243 0.649 417 HA LYS 56 HA LYS 56 -12.806 4.635 3.141 418 HB2 LYS 56 HB2 LYS 56 -11.661 6.683 2.791 419 HB3 LYS 56 HB3 LYS 56 -12.067 6.705 1.084 420 HG2 LYS 56 HG2 LYS 56 -13.373 8.325 2.365 421 HG3 LYS 56 HG3 LYS 56 -14.398 7.101 1.616 422 HD2 LYS 56 HD2 LYS 56 -13.944 5.944 4.010 423 HD3 LYS 56 HD3 LYS 56 -13.860 7.646 4.465 424 HE2 LYS 56 HE2 LYS 56 -16.139 6.288 3.031 425 HE3 LYS 56 HE3 LYS 56 -16.126 6.804 4.716 426 HZ1 LYS 56 HZ1 LYS 56 -16.566 8.903 4.147 427 HZ2 LYS 56 HZ2 LYS 56 -17.041 8.276 2.650 428 HZ3 LYS 56 HZ3 LYS 56 -15.482 8.901 2.848 429 H SER 57 H SER 57 -12.957 4.186 -0.348 430 HA SER 57 HA SER 57 -15.770 4.711 -0.450 431 HB2 SER 57 HB2 SER 57 -14.028 4.950 -2.345 432 HB3 SER 57 HB3 SER 57 -14.300 3.226 -2.599 433 HG SER 57 HG SER 57 -16.419 3.631 -3.069 434 H GLU 58 H GLU 58 -13.950 1.669 -1.029 435 HA GLU 58 HA GLU 58 -16.452 0.211 -0.646 436 HB2 GLU 58 HB2 GLU 58 -13.862 -0.374 -1.972 437 HB3 GLU 58 HB3 GLU 58 -14.771 -1.736 -1.330 438 HG2 GLU 58 HG2 GLU 58 -16.731 -0.456 -2.643 439 HG3 GLU 58 HG3 GLU 58 -15.345 0.018 -3.624 440 H PHE 59 H PHE 59 -13.077 -0.251 0.395 441 HA PHE 59 HA PHE 59 -14.061 -1.750 2.709 442 HB2 PHE 59 HB2 PHE 59 -11.454 -1.667 1.234 443 HB3 PHE 59 HB3 PHE 59 -11.497 -2.244 2.895 444 HD1 PHE 59 HD2 PHE 59 -14.264 -2.772 0.532 445 HD2 PHE 59 HD1 PHE 59 -10.831 -4.481 2.377 446 HE1 PHE 59 HE2 PHE 59 -14.951 -4.995 -0.261 447 HE2 PHE 59 HE1 PHE 59 -11.514 -6.707 1.584 448 HZ PHE 59 HZ PHE 59 -13.575 -6.967 0.265 449 H LYS 60 H LYS 60 -14.395 1.014 2.767 450 HA LYS 60 HA LYS 60 -12.543 2.643 3.850 451 HB2 LYS 60 HB2 LYS 60 -14.415 3.690 5.155 452 HB3 LYS 60 HB3 LYS 60 -14.721 3.460 3.438 453 HG2 LYS 60 HG2 LYS 60 -16.079 1.525 3.889 454 HG3 LYS 60 HG3 LYS 60 -15.698 1.621 5.610 455 HD2 LYS 60 HD2 LYS 60 -16.818 4.072 4.420 456 HD3 LYS 60 HD3 LYS 60 -17.913 2.690 4.480 457 HE2 LYS 60 HE2 LYS 60 -16.878 2.577 6.961 458 HE3 LYS 60 HE3 LYS 60 -16.774 4.313 6.667 459 HZ1 LYS 60 HZ1 LYS 60 -19.280 2.865 6.115 460 HZ2 LYS 60 HZ2 LYS 60 -19.052 4.502 6.474 461 HZ3 LYS 60 HZ3 LYS 60 -18.907 3.341 7.695 462 H ASP 61 H ASP 61 -14.283 0.108 5.590 463 HA ASP 61 HA ASP 61 -12.464 0.546 7.870 464 HB2 ASP 61 HB2 ASP 61 -14.227 -0.420 9.310 465 HB3 ASP 61 HB3 ASP 61 -14.763 1.048 8.497 466 H ARG 62 H ARG 62 -12.024 -1.122 5.490 467 HA ARG 62 HA ARG 62 -11.633 -3.671 6.891 468 HB2 ARG 62 HB2 ARG 62 -12.536 -3.490 4.018 469 HB3 ARG 62 HB3 ARG 62 -12.310 -4.952 4.966 470 HG2 ARG 62 HG2 ARG 62 -14.245 -2.921 5.947 471 HG3 ARG 62 HG3 ARG 62 -14.695 -3.921 4.565 472 HD2 ARG 62 HD2 ARG 62 -15.481 -5.161 6.351 473 HD3 ARG 62 HD3 ARG 62 -13.906 -5.892 6.049 474 HE ARG 62 HE ARG 62 -13.306 -4.057 7.900 475 HH11 ARG 62 HH11 ARG 62 -15.857 -6.438 7.768 476 HH12 ARG 62 HH12 ARG 62 -15.942 -6.623 9.487 477 HH21 ARG 62 HH21 ARG 62 -13.418 -4.302 10.161 478 HH22 ARG 62 HH22 ARG 62 -14.558 -5.412 10.845 479 H VAL 63 H VAL 63 -10.547 -1.419 4.422 480 HA VAL 63 HA VAL 63 -8.057 -2.977 4.187 481 HB VAL 63 HB VAL 63 -9.360 -2.705 2.072 482 HG11 VAL 63 HG11 VAL 63 -8.465 0.145 1.983 483 HG12 VAL 63 HG12 VAL 63 -9.994 -0.274 2.756 484 HG13 VAL 63 HG13 VAL 63 -9.729 -0.665 1.057 485 HG21 VAL 63 HG21 VAL 63 -6.800 -1.221 1.720 486 HG22 VAL 63 HG22 VAL 63 -7.466 -2.558 0.784 487 HG23 VAL 63 HG23 VAL 63 -6.758 -2.859 2.371 488 H VAL 64 H VAL 64 -6.062 -1.827 4.029 489 HA VAL 64 HA VAL 64 -6.071 0.972 4.869 490 HB VAL 64 HB VAL 64 -4.425 -1.098 6.327 491 HG11 VAL 64 HG11 VAL 64 -3.446 1.153 6.199 492 HG12 VAL 64 HG12 VAL 64 -3.898 0.718 7.848 493 HG13 VAL 64 HG13 VAL 64 -4.913 1.819 6.917 494 HG21 VAL 64 HG21 VAL 64 -6.474 -1.587 7.209 495 HG22 VAL 64 HG22 VAL 64 -7.122 0.021 6.881 496 HG23 VAL 64 HG23 VAL 64 -6.030 -0.229 8.243 497 H ILE 65 H ILE 65 -5.001 1.848 3.200 498 HA ILE 65 HA ILE 65 -2.559 0.509 2.243 499 HB ILE 65 HB ILE 65 -4.198 2.592 0.799 500 HG12 ILE 65 HG12 ILE 65 -4.154 -0.419 0.503 501 HG13 ILE 65 HG13 ILE 65 -5.500 0.553 1.087 502 HG21 ILE 65 HG21 ILE 65 -2.526 2.693 -0.655 503 HG22 ILE 65 HG22 ILE 65 -2.618 0.952 -0.913 504 HG23 ILE 65 HG23 ILE 65 -1.584 1.600 0.359 505 HD11 ILE 65 HD11 ILE 65 -5.557 -0.296 -1.323 506 HD12 ILE 65 HD12 ILE 65 -4.371 0.967 -1.649 507 HD13 ILE 65 HD13 ILE 65 -5.964 1.394 -1.025 508 H ALA 66 H ALA 66 -0.696 1.381 2.820 509 HA ALA 66 HA ALA 66 -0.550 4.295 3.221 510 HB1 ALA 66 HB1 ALA 66 1.122 2.454 4.869 511 HB2 ALA 66 HB2 ALA 66 -0.550 2.770 5.333 512 HB3 ALA 66 HB3 ALA 66 0.599 4.102 5.211 513 H LYS 67 H LYS 67 1.771 5.075 3.208 514 HA LYS 67 HA LYS 67 3.456 3.481 1.406 515 HB2 LYS 67 HB2 LYS 67 4.034 5.601 0.195 516 HB3 LYS 67 HB3 LYS 67 2.384 5.046 -0.050 517 HG2 LYS 67 HG2 LYS 67 1.484 6.746 1.253 518 HG3 LYS 67 HG3 LYS 67 3.022 7.076 2.053 519 HD2 LYS 67 HD2 LYS 67 3.717 8.452 0.414 520 HD3 LYS 67 HD3 LYS 67 3.063 7.421 -0.861 521 HE2 LYS 67 HE2 LYS 67 0.943 8.377 -0.713 522 HE3 LYS 67 HE3 LYS 67 1.249 9.036 0.893 523 HZ1 LYS 67 HZ1 LYS 67 1.293 10.577 -1.175 524 HZ2 LYS 67 HZ2 LYS 67 2.860 9.975 -1.378 525 HZ3 LYS 67 HZ3 LYS 67 2.444 10.783 0.048 526 H VAL 68 H VAL 68 5.535 3.396 1.990 527 HA VAL 68 HA VAL 68 6.480 5.316 4.018 528 HB VAL 68 HB VAL 68 6.172 3.048 4.946 529 HG11 VAL 68 HG11 VAL 68 7.008 2.119 2.553 530 HG12 VAL 68 HG12 VAL 68 6.997 1.161 4.034 531 HG13 VAL 68 HG13 VAL 68 8.485 1.944 3.501 532 HG21 VAL 68 HG21 VAL 68 8.031 4.678 5.632 533 HG22 VAL 68 HG22 VAL 68 9.119 3.584 4.777 534 HG23 VAL 68 HG23 VAL 68 8.176 2.997 6.146 535 H ASP 69 H ASP 69 8.839 5.661 4.034 536 HA ASP 69 HA ASP 69 9.920 5.544 1.301 537 HB2 ASP 69 HB2 ASP 69 11.500 7.375 2.615 538 HB3 ASP 69 HB3 ASP 69 10.139 7.763 1.572 539 H ALA 70 H ALA 70 12.091 5.025 0.965 540 HA ALA 70 HA ALA 70 13.135 3.099 2.835 541 HB1 ALA 70 HB1 ALA 70 13.493 2.306 0.738 542 HB2 ALA 70 HB2 ALA 70 15.024 3.151 0.970 543 HB3 ALA 70 HB3 ALA 70 13.726 3.914 0.052 544 H THR 71 H THR 71 13.308 6.352 2.832 545 HA THR 71 HA THR 71 16.055 6.894 3.120 546 HB THR 71 HB THR 71 15.343 9.012 4.119 547 HG1 THR 71 HG1 THR 71 13.598 8.977 5.256 548 HG21 THR 71 HG21 THR 71 14.858 9.738 2.095 549 HG22 THR 71 HG22 THR 71 13.221 9.101 2.253 550 HG23 THR 71 HG23 THR 71 14.499 8.089 1.580 551 H ALA 72 H ALA 72 13.530 6.295 5.581 552 HA ALA 72 HA ALA 72 15.321 4.957 7.304 553 HB1 ALA 72 HB1 ALA 72 15.006 7.873 7.695 554 HB2 ALA 72 HB2 ALA 72 16.367 6.816 8.069 555 HB3 ALA 72 HB3 ALA 72 14.965 6.861 9.138 556 H ASN 73 H ASN 73 14.028 3.518 8.177 557 HA ASN 73 HA ASN 73 12.022 3.953 9.971 558 HB2 ASN 73 HB2 ASN 73 10.044 3.175 8.361 559 HB3 ASN 73 HB3 ASN 73 10.414 4.874 8.624 560 HD21 ASN 73 HD21 ASN 73 10.558 6.056 6.880 561 HD22 ASN 73 HD22 ASN 73 10.953 5.498 5.294 562 H ASP 74 H ASP 74 10.310 1.906 9.793 563 HA ASP 74 HA ASP 74 11.782 -0.334 10.435 564 HB2 ASP 74 HB2 ASP 74 9.067 0.319 10.297 565 HB3 ASP 74 HB3 ASP 74 9.239 -1.091 9.256 566 H VAL 75 H VAL 75 9.727 -0.323 7.533 567 HA VAL 75 HA VAL 75 9.919 -1.528 5.591 568 HB VAL 75 HB VAL 75 11.121 0.532 5.070 569 HG11 VAL 75 HG11 VAL 75 13.471 -0.951 6.201 570 HG12 VAL 75 HG12 VAL 75 12.870 0.653 6.615 571 HG13 VAL 75 HG13 VAL 75 13.673 0.385 5.069 572 HG21 VAL 75 HG21 VAL 75 11.860 -0.191 3.050 573 HG22 VAL 75 HG22 VAL 75 11.077 -1.680 3.579 574 HG23 VAL 75 HG23 VAL 75 12.823 -1.495 3.744 575 HA PRO 76 HA PRO 76 12.725 -4.824 7.576 576 HB2 PRO 76 HB2 PRO 76 10.738 -6.616 8.117 577 HB3 PRO 76 HB3 PRO 76 11.308 -5.411 9.277 578 HG2 PRO 76 HG2 PRO 76 8.905 -5.338 7.494 579 HG3 PRO 76 HG3 PRO 76 9.053 -4.853 9.193 580 HD2 PRO 76 HD2 PRO 76 9.053 -3.053 7.187 581 HD3 PRO 76 HD3 PRO 76 10.014 -2.820 8.661 582 H ASP 77 H ASP 77 10.070 -4.813 5.292 583 HA ASP 77 HA ASP 77 10.443 -7.314 4.108 584 HB2 ASP 77 HB2 ASP 77 9.441 -4.718 2.930 585 HB3 ASP 77 HB3 ASP 77 9.367 -6.264 2.089 586 H GLU 78 H GLU 78 11.132 -7.498 1.697 587 HA GLU 78 HA GLU 78 13.879 -6.486 1.539 588 HB2 GLU 78 HB2 GLU 78 13.439 -8.952 1.412 589 HB3 GLU 78 HB3 GLU 78 12.591 -8.671 -0.102 590 HG2 GLU 78 HG2 GLU 78 14.592 -7.892 -1.154 591 HG3 GLU 78 HG3 GLU 78 15.467 -7.937 0.376 592 H ILE 79 H ILE 79 14.662 -5.393 -0.239 593 HA ILE 79 HA ILE 79 12.816 -4.765 -2.420 594 HB ILE 79 HB ILE 79 14.061 -2.743 -0.571 595 HG12 ILE 79 HG12 ILE 79 11.411 -2.185 -1.609 596 HG13 ILE 79 HG13 ILE 79 11.481 -3.773 -0.843 597 HG21 ILE 79 HG21 ILE 79 13.412 -0.991 -2.194 598 HG22 ILE 79 HG22 ILE 79 13.091 -2.255 -3.380 599 HG23 ILE 79 HG23 ILE 79 14.726 -2.019 -2.763 600 HD11 ILE 79 HD11 ILE 79 12.563 -1.336 0.507 601 HD12 ILE 79 HD12 ILE 79 12.071 -2.873 1.220 602 HD13 ILE 79 HD13 ILE 79 10.854 -1.761 0.592 603 H GLN 80 H GLN 80 13.795 -4.552 -4.359 604 HA GLN 80 HA GLN 80 16.641 -5.071 -4.538 605 HB2 GLN 80 HB2 GLN 80 14.603 -4.578 -6.724 606 HB3 GLN 80 HB3 GLN 80 16.244 -5.162 -6.962 607 HG2 GLN 80 HG2 GLN 80 15.734 -7.207 -5.799 608 HG3 GLN 80 HG3 GLN 80 14.124 -6.614 -5.397 609 HE21 GLN 80 HE22 GLN 80 12.578 -7.404 -6.617 610 HE22 GLN 80 HE32 GLN 80 12.726 -7.904 -8.264 611 H GLY 81 H GLY 81 14.409 -2.458 -4.826 612 HA2 GLY 81 HA2 GLY 81 16.593 -0.529 -4.990 613 HA3 GLY 81 HA3 GLY 81 15.368 -0.460 -6.259 614 H PHE 82 H PHE 82 13.158 -0.114 -5.638 615 HA PHE 82 HA PHE 82 12.377 0.442 -3.016 616 HB2 PHE 82 HB2 PHE 82 12.169 2.933 -4.592 617 HB3 PHE 82 HB3 PHE 82 12.104 2.644 -2.844 618 HD1 PHE 82 HD2 PHE 82 14.365 2.975 -5.741 619 HD2 PHE 82 HD1 PHE 82 14.069 2.750 -1.504 620 HE1 PHE 82 HE2 PHE 82 16.718 3.666 -5.545 621 HE2 PHE 82 HE1 PHE 82 16.421 3.442 -1.297 622 HZ PHE 82 HZ PHE 82 17.749 3.899 -3.320 623 HA PRO 83 HA PRO 83 8.871 1.932 -5.962 624 HB2 PRO 83 HB2 PRO 83 9.407 0.723 -8.382 625 HB3 PRO 83 HB3 PRO 83 9.404 2.443 -8.022 626 HG2 PRO 83 HG2 PRO 83 11.696 0.558 -8.223 627 HG3 PRO 83 HG3 PRO 83 11.603 2.268 -8.693 628 HD2 PRO 83 HD2 PRO 83 12.827 1.553 -6.449 629 HD3 PRO 83 HD3 PRO 83 11.801 3.006 -6.492 630 H THR 84 H THR 84 8.695 0.372 -4.333 631 HA THR 84 HA THR 84 8.181 -2.367 -5.231 632 HB THR 84 HB THR 84 8.415 -2.676 -2.617 633 HG1 THR 84 HG1 THR 84 10.314 -0.768 -2.628 634 HG21 THR 84 HG21 THR 84 10.541 -3.442 -2.895 635 HG22 THR 84 HG22 THR 84 10.996 -2.089 -3.934 636 HG23 THR 84 HG23 THR 84 9.988 -3.394 -4.569 637 H ILE 85 H ILE 85 6.372 -3.444 -4.558 638 HA ILE 85 HA ILE 85 4.328 -1.978 -3.064 639 HB ILE 85 HB ILE 85 3.504 -3.442 -5.543 640 HG12 ILE 85 HG12 ILE 85 5.204 -1.717 -6.189 641 HG13 ILE 85 HG13 ILE 85 3.602 -1.426 -6.860 642 HG21 ILE 85 HG21 ILE 85 1.518 -2.155 -5.367 643 HG22 ILE 85 HG22 ILE 85 2.242 -1.088 -4.163 644 HG23 ILE 85 HG23 ILE 85 1.884 -2.765 -3.753 645 HD11 ILE 85 HD11 ILE 85 3.556 0.585 -5.952 646 HD12 ILE 85 HD12 ILE 85 5.203 0.331 -5.377 647 HD13 ILE 85 HD13 ILE 85 3.834 -0.090 -4.347 648 H LYS 86 H LYS 86 3.832 -3.267 -1.425 649 HA LYS 86 HA LYS 86 3.693 -6.169 -1.912 650 HB2 LYS 86 HB2 LYS 86 5.561 -5.321 -0.406 651 HB3 LYS 86 HB3 LYS 86 4.304 -4.886 0.745 652 HG2 LYS 86 HG2 LYS 86 3.928 -7.591 -0.115 653 HG3 LYS 86 HG3 LYS 86 5.588 -7.362 0.440 654 HD2 LYS 86 HD2 LYS 86 3.158 -6.505 2.003 655 HD3 LYS 86 HD3 LYS 86 3.972 -8.054 2.224 656 HE2 LYS 86 HE2 LYS 86 5.722 -7.128 3.308 657 HE3 LYS 86 HE3 LYS 86 5.712 -5.680 2.302 658 HZ1 LYS 86 HZ1 LYS 86 5.062 -4.898 4.360 659 HZ2 LYS 86 HZ2 LYS 86 4.129 -6.262 4.719 660 HZ3 LYS 86 HZ3 LYS 86 3.572 -5.131 3.591 661 H LEU 87 H LEU 87 2.046 -7.344 -0.927 662 HA LEU 87 HA LEU 87 -0.116 -5.765 0.294 663 HB2 LEU 87 HB2 LEU 87 -0.766 -6.183 -1.982 664 HB3 LEU 87 HB3 LEU 87 -0.344 -7.876 -1.847 665 HG LEU 87 HG LEU 87 -2.825 -7.262 -1.808 666 HD11 LEU 87 HD11 LEU 87 -3.170 -9.270 -0.905 667 HD12 LEU 87 HD12 LEU 87 -2.429 -8.810 0.628 668 HD13 LEU 87 HD13 LEU 87 -1.418 -9.343 -0.716 669 HD21 LEU 87 HD21 LEU 87 -2.306 -5.414 -0.055 670 HD22 LEU 87 HD22 LEU 87 -2.411 -6.739 1.104 671 HD23 LEU 87 HD23 LEU 87 -3.793 -6.353 0.079 672 H TYR 88 H TYR 88 -0.636 -6.491 2.238 673 HA TYR 88 HA TYR 88 0.156 -9.203 3.009 674 HB2 TYR 88 HB2 TYR 88 0.093 -6.660 4.351 675 HB3 TYR 88 HB3 TYR 88 -0.886 -7.820 5.243 676 HD1 TYR 88 HD1 TYR 88 2.390 -7.863 3.440 677 HD2 TYR 88 HD2 TYR 88 0.229 -8.876 6.960 678 HE1 TYR 88 HE1 TYR 88 4.439 -8.813 4.415 679 HE2 TYR 88 HE2 TYR 88 2.271 -9.823 7.946 680 HH TYR 88 HH TYR 88 4.791 -10.772 6.403 681 HA PRO 89 HA PRO 89 -4.247 -10.138 2.475 682 HB2 PRO 89 HB2 PRO 89 -3.979 -12.827 2.734 683 HB3 PRO 89 HB3 PRO 89 -3.622 -11.969 1.231 684 HG2 PRO 89 HG2 PRO 89 -1.744 -12.929 3.355 685 HG3 PRO 89 HG3 PRO 89 -1.582 -13.025 1.592 686 HD2 PRO 89 HD2 PRO 89 -0.316 -11.142 3.065 687 HD3 PRO 89 HD3 PRO 89 -0.880 -10.836 1.410 688 H ALA 90 H ALA 90 -5.639 -9.904 4.102 689 HA ALA 90 HA ALA 90 -5.007 -10.087 6.803 690 HB1 ALA 90 HB1 ALA 90 -7.650 -10.353 6.938 691 HB2 ALA 90 HB2 ALA 90 -7.517 -9.871 5.247 692 HB3 ALA 90 HB3 ALA 90 -6.874 -8.827 6.514 693 H GLY 91 H GLY 91 -4.701 -11.755 8.118 694 HA2 GLY 91 HA2 GLY 91 -5.368 -13.796 9.134 695 HA3 GLY 91 HA3 GLY 91 -6.173 -14.246 7.638 696 H ALA 92 H ALA 92 -3.715 -13.363 6.117 697 HA ALA 92 HA ALA 92 -2.204 -15.845 6.546 698 HB1 ALA 92 HB1 ALA 92 -2.697 -16.020 4.357 699 HB2 ALA 92 HB2 ALA 92 -1.317 -14.940 4.157 700 HB3 ALA 92 HB3 ALA 92 -2.955 -14.285 4.168 701 H LYS 93 H LYS 93 -1.164 -14.672 8.383 702 HA LYS 93 HA LYS 93 0.590 -12.494 7.888 703 HB2 LYS 93 HB2 LYS 93 -0.275 -12.929 10.121 704 HB3 LYS 93 HB3 LYS 93 0.514 -14.499 10.150 705 HG2 LYS 93 HG2 LYS 93 1.662 -12.711 11.460 706 HG3 LYS 93 HG3 LYS 93 2.671 -13.510 10.253 707 HD2 LYS 93 HD2 LYS 93 2.191 -11.620 8.701 708 HD3 LYS 93 HD3 LYS 93 1.351 -10.808 10.024 709 HE2 LYS 93 HE2 LYS 93 4.260 -11.596 9.939 710 HE3 LYS 93 HE3 LYS 93 3.607 -9.961 9.853 711 HZ1 LYS 93 HZ1 LYS 93 2.579 -10.550 12.121 712 HZ2 LYS 93 HZ2 LYS 93 4.224 -10.164 12.052 713 HZ3 LYS 93 HZ3 LYS 93 3.740 -11.780 12.166 714 H GLY 94 H GLY 94 1.524 -13.531 5.894 715 HA2 GLY 94 HA2 GLY 94 4.153 -14.056 6.047 716 HA3 GLY 94 HA3 GLY 94 3.460 -15.641 6.352 717 H GLN 95 H GLN 95 2.240 -13.150 4.149 718 HA GLN 95 HA GLN 95 3.107 -14.748 1.861 719 HB2 GLN 95 HB2 GLN 95 0.242 -13.970 2.418 720 HB3 GLN 95 HB3 GLN 95 0.814 -14.544 0.858 721 HG2 GLN 95 HG2 GLN 95 1.483 -16.267 3.137 722 HG3 GLN 95 HG3 GLN 95 -0.237 -16.117 2.787 723 HE21 GLN 95 HE22 GLN 95 2.832 -16.580 1.064 724 HE22 GLN 95 HE32 GLN 95 2.233 -17.773 -0.032 725 HA PRO 96 HA PRO 96 3.308 -9.970 1.541 726 HB2 PRO 96 HB2 PRO 96 6.153 -10.612 1.017 727 HB3 PRO 96 HB3 PRO 96 5.454 -9.332 2.011 728 HG2 PRO 96 HG2 PRO 96 6.622 -11.464 3.119 729 HG3 PRO 96 HG3 PRO 96 5.187 -10.715 3.843 730 HD2 PRO 96 HD2 PRO 96 5.412 -13.225 2.236 731 HD3 PRO 96 HD3 PRO 96 4.392 -12.869 3.643 732 H VAL 97 H VAL 97 2.576 -9.423 -0.423 733 HA VAL 97 HA VAL 97 3.228 -10.961 -2.759 734 HB VAL 97 HB VAL 97 1.346 -8.801 -2.073 735 HG11 VAL 97 HG11 VAL 97 0.967 -8.337 -4.560 736 HG12 VAL 97 HG12 VAL 97 2.612 -8.933 -4.789 737 HG13 VAL 97 HG13 VAL 97 2.319 -7.523 -3.772 738 HG21 VAL 97 HG21 VAL 97 0.834 -10.746 -4.237 739 HG22 VAL 97 HG22 VAL 97 -0.196 -10.234 -2.900 740 HG23 VAL 97 HG23 VAL 97 1.095 -11.402 -2.621 741 H THR 98 H THR 98 4.450 -10.329 -4.520 742 HA THR 98 HA THR 98 6.112 -7.924 -4.142 743 HB THR 98 HB THR 98 7.142 -10.260 -5.694 744 HG1 THR 98 HG1 THR 98 7.239 -10.083 -2.866 745 HG21 THR 98 HG21 THR 98 9.230 -9.490 -4.331 746 HG22 THR 98 HG22 THR 98 8.306 -7.998 -4.158 747 HG23 THR 98 HG23 THR 98 8.711 -8.605 -5.764 748 H TYR 99 H TYR 99 5.492 -6.448 -5.586 749 HA TYR 99 HA TYR 99 4.127 -7.098 -7.987 750 HB2 TYR 99 HB2 TYR 99 5.009 -4.663 -6.602 751 HB3 TYR 99 HB3 TYR 99 4.955 -4.523 -8.356 752 HD1 TYR 99 HD2 TYR 99 2.845 -6.057 -5.686 753 HD2 TYR 99 HD1 TYR 99 2.992 -3.646 -9.185 754 HE1 TYR 99 HE2 TYR 99 0.413 -5.757 -5.572 755 HE2 TYR 99 HE1 TYR 99 0.556 -3.339 -9.081 756 HH TYR 99 HH TYR 99 -1.286 -4.171 -6.347 757 H SER 100 H SER 100 4.823 -7.240 -10.059 758 HA SER 100 HA SER 100 7.667 -7.618 -10.463 759 HB2 SER 100 HB2 SER 100 5.335 -7.943 -12.367 760 HB3 SER 100 HB3 SER 100 7.003 -8.394 -12.719 761 HG SER 100 HG SER 100 5.452 -9.443 -10.586 762 H GLY 101 H GLY 101 5.171 -5.324 -11.342 763 HA2 GLY 101 HA2 GLY 101 6.800 -3.151 -11.714 764 HA3 GLY 101 HA3 GLY 101 6.752 -3.934 -13.287 765 H SER 102 H SER 102 4.870 -2.286 -10.836 766 HA SER 102 HA SER 102 2.354 -2.391 -12.052 767 HB2 SER 102 HB2 SER 102 1.709 -0.658 -10.574 768 HB3 SER 102 HB3 SER 102 2.959 -1.551 -9.708 769 HG SER 102 HG SER 102 3.146 0.956 -10.994 770 H ARG 103 H ARG 103 2.148 -1.933 -14.168 771 HA ARG 103 HA ARG 103 3.484 0.383 -15.309 772 HB2 ARG 103 HB2 ARG 103 2.661 -0.427 -17.450 773 HB3 ARG 103 HB3 ARG 103 3.433 -1.735 -16.565 774 HG2 ARG 103 HG2 ARG 103 1.415 -2.796 -16.121 775 HG3 ARG 103 HG3 ARG 103 0.471 -1.339 -16.436 776 HD2 ARG 103 HD2 ARG 103 1.464 -1.571 -18.841 777 HD3 ARG 103 HD3 ARG 103 1.721 -3.248 -18.363 778 HE ARG 103 HE ARG 103 -0.539 -3.601 -18.498 779 HH11 ARG 103 HH11 ARG 103 0.080 -0.167 -18.521 780 HH12 ARG 103 HH12 ARG 103 -1.559 0.253 -18.889 781 HH21 ARG 103 HH21 ARG 103 -2.695 -3.052 -18.985 782 HH22 ARG 103 HH22 ARG 103 -3.135 -1.385 -19.152 783 H THR 104 H THR 104 0.331 -0.579 -14.213 784 HA THR 104 HA THR 104 -0.631 2.131 -14.663 785 HB THR 104 HB THR 104 -1.353 0.953 -16.673 786 HG1 THR 104 HG1 THR 104 -2.802 2.456 -15.709 787 HG21 THR 104 HG21 THR 104 -1.517 -1.296 -16.266 788 HG22 THR 104 HG22 THR 104 -3.213 -0.812 -16.267 789 HG23 THR 104 HG23 THR 104 -2.370 -1.068 -14.739 790 H VAL 105 H VAL 105 -2.989 2.256 -13.720 791 HA VAL 105 HA VAL 105 -2.770 1.379 -10.985 792 HB VAL 105 HB VAL 105 -5.037 2.877 -12.305 793 HG11 VAL 105 HG11 VAL 105 -4.274 2.641 -9.396 794 HG12 VAL 105 HG12 VAL 105 -5.622 1.809 -10.171 795 HG13 VAL 105 HG13 VAL 105 -5.623 3.568 -10.052 796 HG21 VAL 105 HG21 VAL 105 -3.432 4.445 -12.572 797 HG22 VAL 105 HG22 VAL 105 -2.381 3.732 -11.349 798 HG23 VAL 105 HG23 VAL 105 -3.742 4.741 -10.861 799 H GLU 106 H GLU 106 -5.135 0.891 -13.608 800 HA GLU 106 HA GLU 106 -6.977 -0.706 -12.402 801 HB2 GLU 106 HB2 GLU 106 -7.386 -1.736 -14.591 802 HB3 GLU 106 HB3 GLU 106 -7.152 0.001 -14.729 803 HG2 GLU 106 HG2 GLU 106 -5.101 -0.220 -15.760 804 HG3 GLU 106 HG3 GLU 106 -4.843 -1.845 -15.126 805 H ASP 107 H ASP 107 -3.721 -1.597 -13.297 806 HA ASP 107 HA ASP 107 -4.139 -4.416 -12.867 807 HB2 ASP 107 HB2 ASP 107 -2.458 -3.530 -14.485 808 HB3 ASP 107 HB3 ASP 107 -1.531 -2.904 -13.124 809 H LEU 108 H LEU 108 -2.694 -1.720 -11.106 810 HA LEU 108 HA LEU 108 -1.593 -3.153 -8.973 811 HB2 LEU 108 HB2 LEU 108 -2.551 -0.347 -9.339 812 HB3 LEU 108 HB3 LEU 108 -2.133 -0.896 -7.728 813 HG LEU 108 HG LEU 108 -0.136 -1.365 -9.875 814 HD11 LEU 108 HD11 LEU 108 0.172 1.255 -8.660 815 HD12 LEU 108 HD12 LEU 108 -1.262 1.145 -9.680 816 HD13 LEU 108 HD13 LEU 108 0.324 0.763 -10.347 817 HD21 LEU 108 HD21 LEU 108 0.525 -0.169 -7.258 818 HD22 LEU 108 HD22 LEU 108 1.327 -1.459 -8.153 819 HD23 LEU 108 HD23 LEU 108 -0.136 -1.804 -7.230 820 H ILE 109 H ILE 109 -4.831 -1.861 -9.473 821 HA ILE 109 HA ILE 109 -5.824 -2.475 -6.889 822 HB ILE 109 HB ILE 109 -7.508 -2.249 -9.375 823 HG12 ILE 109 HG12 ILE 109 -6.367 -0.012 -7.685 824 HG13 ILE 109 HG13 ILE 109 -5.969 -0.351 -9.364 825 HG21 ILE 109 HG21 ILE 109 -9.131 -2.536 -7.881 826 HG22 ILE 109 HG22 ILE 109 -8.716 -0.944 -7.241 827 HG23 ILE 109 HG23 ILE 109 -8.006 -2.395 -6.530 828 HD11 ILE 109 HD11 ILE 109 -7.503 1.198 -9.820 829 HD12 ILE 109 HD12 ILE 109 -8.237 1.080 -8.221 830 HD13 ILE 109 HD13 ILE 109 -8.673 -0.076 -9.479 831 H LYS 110 H LYS 110 -6.081 -4.130 -10.025 832 HA LYS 110 HA LYS 110 -7.701 -6.249 -9.220 833 HB2 LYS 110 HB2 LYS 110 -5.903 -5.681 -11.472 834 HB3 LYS 110 HB3 LYS 110 -6.092 -7.394 -11.123 835 HG2 LYS 110 HG2 LYS 110 -8.437 -5.550 -11.462 836 HG3 LYS 110 HG3 LYS 110 -7.681 -6.397 -12.814 837 HD2 LYS 110 HD2 LYS 110 -8.070 -8.539 -11.584 838 HD3 LYS 110 HD3 LYS 110 -8.992 -7.623 -10.391 839 HE2 LYS 110 HE2 LYS 110 -10.598 -6.969 -12.047 840 HE3 LYS 110 HE3 LYS 110 -9.622 -7.668 -13.338 841 HZ1 LYS 110 HZ1 LYS 110 -11.409 -9.148 -12.803 842 HZ2 LYS 110 HZ2 LYS 110 -10.998 -9.148 -11.163 843 HZ3 LYS 110 HZ3 LYS 110 -9.960 -9.858 -12.294 844 H PHE 111 H PHE 111 -4.363 -5.635 -8.579 845 HA PHE 111 HA PHE 111 -3.649 -8.342 -7.966 846 HB2 PHE 111 HB2 PHE 111 -2.238 -6.008 -8.396 847 HB3 PHE 111 HB3 PHE 111 -2.048 -6.267 -6.665 848 HD1 PHE 111 HD1 PHE 111 -1.848 -8.173 -9.867 849 HD2 PHE 111 HD2 PHE 111 -0.295 -7.567 -5.952 850 HE1 PHE 111 HE1 PHE 111 -0.088 -9.833 -10.312 851 HE2 PHE 111 HE2 PHE 111 1.467 -9.227 -6.387 852 HZ PHE 111 HZ PHE 111 1.574 -10.361 -8.572 853 H ILE 112 H ILE 112 -4.252 -5.454 -5.968 854 HA ILE 112 HA ILE 112 -3.993 -6.512 -3.459 855 HB ILE 112 HB ILE 112 -6.172 -4.592 -4.292 856 HG12 ILE 112 HG12 ILE 112 -3.644 -3.639 -3.070 857 HG13 ILE 112 HG13 ILE 112 -3.543 -4.195 -4.736 858 HG21 ILE 112 HG21 ILE 112 -4.946 -4.285 -1.658 859 HG22 ILE 112 HG22 ILE 112 -5.831 -5.797 -1.856 860 HG23 ILE 112 HG23 ILE 112 -6.645 -4.257 -2.130 861 HD11 ILE 112 HD11 ILE 112 -4.040 -2.043 -5.157 862 HD12 ILE 112 HD12 ILE 112 -4.845 -1.811 -3.605 863 HD13 ILE 112 HD13 ILE 112 -5.692 -2.614 -4.926 864 H ALA 113 H ALA 113 -6.785 -6.797 -5.612 865 HA ALA 113 HA ALA 113 -8.309 -8.280 -3.649 866 HB1 ALA 113 HB1 ALA 113 -10.096 -7.908 -4.962 867 HB2 ALA 113 HB2 ALA 113 -9.221 -8.287 -6.446 868 HB3 ALA 113 HB3 ALA 113 -9.051 -6.697 -5.703 869 H GLU 114 H GLU 114 -6.068 -8.996 -6.162 870 HA GLU 114 HA GLU 114 -6.981 -11.655 -6.697 871 HB2 GLU 114 HB2 GLU 114 -4.662 -9.980 -7.487 872 HB3 GLU 114 HB3 GLU 114 -4.450 -11.723 -7.579 873 HG2 GLU 114 HG2 GLU 114 -6.881 -10.515 -8.789 874 HG3 GLU 114 HG3 GLU 114 -5.338 -10.345 -9.624 875 H ASN 115 H ASN 115 -4.341 -10.281 -4.747 876 HA ASN 115 HA ASN 115 -3.817 -12.950 -3.651 877 HB2 ASN 115 HB2 ASN 115 -2.062 -10.903 -2.605 878 HB3 ASN 115 HB3 ASN 115 -1.664 -12.352 -3.519 879 HD21 ASN 115 HD21 ASN 115 -2.442 -8.967 -3.708 880 HD22 ASN 115 HD22 ASN 115 -1.875 -8.721 -5.317 881 H GLY 116 H GLY 116 -4.992 -9.787 -2.767 882 HA2 GLY 116 HA2 GLY 116 -4.802 -9.955 0.018 883 HA3 GLY 116 HA3 GLY 116 -6.008 -9.021 -0.855 884 H LYS 117 H LYS 117 -5.674 -11.306 1.426 885 HA LYS 117 HA LYS 117 -7.482 -13.329 0.784 886 HB2 LYS 117 HB2 LYS 117 -6.013 -13.422 2.740 887 HB3 LYS 117 HB3 LYS 117 -6.900 -12.100 3.486 888 HG2 LYS 117 HG2 LYS 117 -7.529 -14.259 4.428 889 HG3 LYS 117 HG3 LYS 117 -8.892 -13.483 3.618 890 HD2 LYS 117 HD2 LYS 117 -8.741 -14.932 1.761 891 HD3 LYS 117 HD3 LYS 117 -7.145 -15.509 2.246 892 HE2 LYS 117 HE2 LYS 117 -9.087 -17.078 2.671 893 HE3 LYS 117 HE3 LYS 117 -8.028 -16.751 4.042 894 HZ1 LYS 117 HZ1 LYS 117 -10.644 -16.617 4.227 895 HZ2 LYS 117 HZ2 LYS 117 -10.364 -15.030 3.713 896 HZ3 LYS 117 HZ3 LYS 117 -9.633 -15.602 5.127 897 H TYR 118 H TYR 118 -8.022 -10.149 2.225 898 HA TYR 118 HA TYR 118 -10.828 -10.532 2.598 899 HB2 TYR 118 HB2 TYR 118 -8.889 -8.592 3.317 900 HB3 TYR 118 HB3 TYR 118 -10.148 -7.752 2.419 901 HD1 TYR 118 HD2 TYR 118 -12.623 -8.442 3.156 902 HD2 TYR 118 HD1 TYR 118 -9.155 -8.803 5.588 903 HE1 TYR 118 HE2 TYR 118 -14.039 -8.424 5.167 904 HE2 TYR 118 HE1 TYR 118 -10.557 -8.788 7.606 905 HH TYR 118 HH TYR 118 -12.870 -9.272 8.247 906 H LYS 119 H LYS 119 -8.883 -9.794 -0.102 907 HA LYS 119 HA LYS 119 -9.359 -9.303 -2.266 908 HB2 LYS 119 HB2 LYS 119 -11.660 -10.681 -1.272 909 HB3 LYS 119 HB3 LYS 119 -12.202 -9.412 -2.361 910 HG2 LYS 119 HG2 LYS 119 -11.924 -11.238 -3.756 911 HG3 LYS 119 HG3 LYS 119 -10.428 -10.328 -3.979 912 HD2 LYS 119 HD2 LYS 119 -9.420 -12.294 -3.579 913 HD3 LYS 119 HD3 LYS 119 -9.777 -11.948 -1.886 914 HE2 LYS 119 HE2 LYS 119 -10.574 -14.119 -2.195 915 HE3 LYS 119 HE3 LYS 119 -12.017 -13.115 -2.322 916 HZ1 LYS 119 HZ1 LYS 119 -11.385 -13.174 -4.848 917 HZ2 LYS 119 HZ2 LYS 119 -12.262 -14.438 -4.144 918 HZ3 LYS 119 HZ3 LYS 119 -10.600 -14.608 -4.407 919 H ALA 120 H ALA 120 -8.809 -7.133 -0.986 920 HA ALA 120 HA ALA 120 -10.769 -5.169 -0.646 921 HB1 ALA 120 HB1 ALA 120 -7.839 -5.231 -0.862 922 HB2 ALA 120 HB2 ALA 120 -8.877 -4.401 0.297 923 HB3 ALA 120 HB3 ALA 120 -8.591 -3.695 -1.294 924 H ALA 121 H ALA 121 -12.182 -5.389 -2.450 925 HA ALA 121 HA ALA 121 -11.846 -3.497 -4.462 926 HB1 ALA 121 HB1 ALA 121 -11.207 -6.306 -5.344 927 HB2 ALA 121 HB2 ALA 121 -10.168 -4.886 -5.447 928 HB3 ALA 121 HB3 ALA 121 -11.615 -4.995 -6.449 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -7.881 24.990 0.527 2 H2 GLY 1 2H GLY 1 -8.613 26.152 -0.461 3 H3 GLY 1 3H GLY 1 -9.451 24.740 -0.054 4 HA2 GLY 1 HA3 GLY 1 -8.733 27.001 1.720 5 HA3 GLY 1 HA2 GLY 1 -10.345 26.451 1.288 6 HA PRO 2 HA PRO 2 -8.897 24.769 5.515 7 HB2 PRO 2 HB2 PRO 2 -11.723 25.573 6.024 8 HB3 PRO 2 HB3 PRO 2 -10.304 25.726 7.066 9 HG2 PRO 2 HG2 PRO 2 -11.295 27.851 5.808 10 HG3 PRO 2 HG3 PRO 2 -9.544 27.627 5.976 11 HD2 PRO 2 HD2 PRO 2 -11.288 27.229 3.588 12 HD3 PRO 2 HD3 PRO 2 -9.620 27.829 3.682 13 H LEU 3 H LEU 3 -9.077 22.639 5.775 14 HA LEU 3 HA LEU 3 -11.489 21.295 4.745 15 HB2 LEU 3 HB2 LEU 3 -8.670 20.219 4.864 16 HB3 LEU 3 HB3 LEU 3 -10.075 19.335 4.298 17 HG LEU 3 HG LEU 3 -9.532 21.897 2.926 18 HD11 LEU 3 HD11 LEU 3 -7.288 20.670 3.364 19 HD12 LEU 3 HD12 LEU 3 -7.664 21.243 1.739 20 HD13 LEU 3 HD13 LEU 3 -7.873 19.539 2.144 21 HD21 LEU 3 HD21 LEU 3 -11.368 20.319 2.345 22 HD22 LEU 3 HD22 LEU 3 -10.143 19.139 1.878 23 HD23 LEU 3 HD23 LEU 3 -10.271 20.668 1.009 24 H GLY 4 H GLY 4 -8.749 20.403 6.851 25 HA2 GLY 4 HA2 GLY 4 -9.290 20.300 9.301 26 HA3 GLY 4 HA3 GLY 4 -10.735 19.429 8.811 27 H SER 5 H SER 5 -10.638 17.266 8.525 28 HA SER 5 HA SER 5 -8.499 15.812 9.593 29 HB2 SER 5 HB2 SER 5 -9.807 13.980 8.003 30 HB3 SER 5 HB3 SER 5 -10.267 14.410 9.651 31 HG SER 5 HG SER 5 -11.214 15.762 7.345 32 H GLU 6 H GLU 6 -9.600 15.391 6.240 33 HA GLU 6 HA GLU 6 -8.471 15.043 4.297 34 HB2 GLU 6 HB2 GLU 6 -6.815 17.002 5.760 35 HB3 GLU 6 HB3 GLU 6 -5.991 16.136 4.470 36 HG2 GLU 6 HG2 GLU 6 -8.631 17.180 3.749 37 HG3 GLU 6 HG3 GLU 6 -7.429 18.408 4.145 38 H GLY 7 H GLY 7 -6.818 13.741 3.317 39 HA2 GLY 7 HA2 GLY 7 -4.662 12.506 3.950 40 HA3 GLY 7 HA3 GLY 7 -5.651 11.836 5.240 41 HA PRO 8 HA PRO 8 -7.353 10.022 1.077 42 HB2 PRO 8 HB2 PRO 8 -5.709 10.217 -1.073 43 HB3 PRO 8 HB3 PRO 8 -6.934 11.432 -0.690 44 HG2 PRO 8 HG2 PRO 8 -3.993 11.467 -0.132 45 HG3 PRO 8 HG3 PRO 8 -5.033 12.771 -0.735 46 HD2 PRO 8 HD2 PRO 8 -4.263 12.601 1.856 47 HD3 PRO 8 HD3 PRO 8 -5.829 13.280 1.367 48 H VAL 9 H VAL 9 -3.793 10.021 1.245 49 HA VAL 9 HA VAL 9 -3.852 7.080 1.107 50 HB VAL 9 HB VAL 9 -1.457 8.865 0.666 51 HG11 VAL 9 HG11 VAL 9 -0.461 6.870 0.993 52 HG12 VAL 9 HG12 VAL 9 -0.964 6.573 -0.671 53 HG13 VAL 9 HG13 VAL 9 -1.936 5.959 0.666 54 HG21 VAL 9 HG21 VAL 9 -1.820 8.277 -1.765 55 HG22 VAL 9 HG22 VAL 9 -2.968 9.422 -1.071 56 HG23 VAL 9 HG23 VAL 9 -3.435 7.738 -1.303 57 H THR 10 H THR 10 -3.439 5.983 2.903 58 HA THR 10 HA THR 10 -2.913 7.171 5.375 59 HB THR 10 HB THR 10 -2.475 4.309 4.502 60 HG1 THR 10 HG1 THR 10 -4.671 5.562 5.784 61 HG21 THR 10 HG21 THR 10 -2.523 3.637 6.754 62 HG22 THR 10 HG22 THR 10 -2.959 5.254 7.308 63 HG23 THR 10 HG23 THR 10 -1.345 4.947 6.665 64 H VAL 11 H VAL 11 -1.081 7.390 6.624 65 HA VAL 11 HA VAL 11 1.444 7.302 5.140 66 HB VAL 11 HB VAL 11 0.822 8.685 7.753 67 HG11 VAL 11 HG11 VAL 11 3.250 8.690 5.976 68 HG12 VAL 11 HG12 VAL 11 3.146 8.240 7.679 69 HG13 VAL 11 HG13 VAL 11 2.949 9.926 7.197 70 HG21 VAL 11 HG21 VAL 11 1.261 10.682 6.007 71 HG22 VAL 11 HG22 VAL 11 -0.342 10.042 6.371 72 HG23 VAL 11 HG23 VAL 11 0.521 9.496 4.932 73 H VAL 12 H VAL 12 3.132 6.062 5.731 74 HA VAL 12 HA VAL 12 2.849 4.444 8.178 75 HB VAL 12 HB VAL 12 3.829 3.629 5.450 76 HG11 VAL 12 HG11 VAL 12 4.470 1.442 6.606 77 HG12 VAL 12 HG12 VAL 12 4.489 2.378 8.101 78 HG13 VAL 12 HG13 VAL 12 5.578 2.803 6.780 79 HG21 VAL 12 HG21 VAL 12 1.403 3.371 6.588 80 HG22 VAL 12 HG22 VAL 12 2.159 1.871 7.125 81 HG23 VAL 12 HG23 VAL 12 2.054 2.238 5.403 82 H VAL 13 H VAL 13 4.649 4.144 9.434 83 HA VAL 13 HA VAL 13 7.240 5.113 8.594 84 HB VAL 13 HB VAL 13 7.418 6.600 10.649 85 HG11 VAL 13 HG11 VAL 13 7.278 7.457 8.346 86 HG12 VAL 13 HG12 VAL 13 6.510 8.534 9.513 87 HG13 VAL 13 HG13 VAL 13 5.521 7.496 8.485 88 HG21 VAL 13 HG21 VAL 13 4.487 7.011 10.524 89 HG22 VAL 13 HG22 VAL 13 5.604 7.209 11.874 90 HG23 VAL 13 HG23 VAL 13 5.072 5.596 11.400 91 H ALA 14 H ALA 14 8.886 4.772 10.343 92 HA ALA 14 HA ALA 14 8.826 2.183 11.321 93 HB1 ALA 14 HB1 ALA 14 10.958 2.686 11.664 94 HB2 ALA 14 HB2 ALA 14 10.499 3.689 13.040 95 HB3 ALA 14 HB3 ALA 14 10.608 4.398 11.429 96 H LYS 15 H LYS 15 7.405 5.038 12.634 97 HA LYS 15 HA LYS 15 7.211 4.162 15.338 98 HB2 LYS 15 HB2 LYS 15 5.683 6.274 13.811 99 HB3 LYS 15 HB3 LYS 15 5.577 6.031 15.550 100 HG2 LYS 15 HG2 LYS 15 7.836 6.676 15.865 101 HG3 LYS 15 HG3 LYS 15 8.155 6.636 14.130 102 HD2 LYS 15 HD2 LYS 15 7.899 8.904 14.547 103 HD3 LYS 15 HD3 LYS 15 6.291 8.431 13.994 104 HE2 LYS 15 HE2 LYS 15 5.549 8.246 16.318 105 HE3 LYS 15 HE3 LYS 15 7.157 8.713 16.871 106 HZ1 LYS 15 HZ1 LYS 15 5.699 10.485 15.035 107 HZ2 LYS 15 HZ2 LYS 15 6.858 10.871 16.205 108 HZ3 LYS 15 HZ3 LYS 15 5.282 10.476 16.675 109 H ASN 16 H ASN 16 5.196 3.795 12.485 110 HA ASN 16 HA ASN 16 3.443 2.033 14.049 111 HB2 ASN 16 HB2 ASN 16 1.591 2.987 12.403 112 HB3 ASN 16 HB3 ASN 16 1.953 3.767 13.938 113 HD21 ASN 16 HD21 ASN 16 2.933 3.801 10.533 114 HD22 ASN 16 HD22 ASN 16 3.174 5.510 10.439 115 H TYR 17 H TYR 17 5.655 1.667 12.028 116 HA TYR 17 HA TYR 17 4.481 0.700 9.625 117 HB2 TYR 17 HB2 TYR 17 6.891 1.371 9.906 118 HB3 TYR 17 HB3 TYR 17 7.133 -0.111 10.825 119 HD1 TYR 17 HD1 TYR 17 6.290 -2.312 9.548 120 HD2 TYR 17 HD2 TYR 17 7.408 1.335 7.660 121 HE1 TYR 17 HE1 TYR 17 6.721 -3.531 7.461 122 HE2 TYR 17 HE2 TYR 17 7.841 0.122 5.566 123 HH TYR 17 HH TYR 17 8.194 -3.153 5.378 124 H ASN 18 H ASN 18 5.576 -0.839 12.608 125 HA ASN 18 HA ASN 18 4.991 -3.491 11.796 126 HB2 ASN 18 HB2 ASN 18 5.041 -2.554 14.651 127 HB3 ASN 18 HB3 ASN 18 5.493 -4.130 14.011 128 HD21 ASN 18 HD21 ASN 18 7.264 -3.828 12.191 129 HD22 ASN 18 HD22 ASN 18 8.627 -2.895 12.698 130 H GLU 19 H GLU 19 3.279 -1.322 14.058 131 HA GLU 19 HA GLU 19 1.132 -2.929 14.647 132 HB2 GLU 19 HB2 GLU 19 1.777 -0.160 14.893 133 HB3 GLU 19 HB3 GLU 19 0.116 -0.289 14.332 134 HG2 GLU 19 HG2 GLU 19 0.644 -2.162 16.460 135 HG3 GLU 19 HG3 GLU 19 1.035 -0.513 16.944 136 H ILE 20 H ILE 20 1.628 -0.982 11.764 137 HA ILE 20 HA ILE 20 -1.016 -1.348 10.742 138 HB ILE 20 HB ILE 20 1.525 -0.418 9.408 139 HG12 ILE 20 HG12 ILE 20 0.469 1.012 11.194 140 HG13 ILE 20 HG13 ILE 20 0.602 1.782 9.616 141 HG21 ILE 20 HG21 ILE 20 0.454 -1.030 7.511 142 HG22 ILE 20 HG22 ILE 20 -0.394 0.494 7.770 143 HG23 ILE 20 HG23 ILE 20 -1.136 -1.024 8.275 144 HD11 ILE 20 HD11 ILE 20 -1.694 1.425 11.225 145 HD12 ILE 20 HD12 ILE 20 -1.912 0.480 9.752 146 HD13 ILE 20 HD13 ILE 20 -1.564 2.206 9.649 147 H VAL 21 H VAL 21 1.924 -2.311 9.014 148 HA VAL 21 HA VAL 21 0.879 -4.217 7.391 149 HB VAL 21 HB VAL 21 3.576 -4.465 8.727 150 HG11 VAL 21 HG11 VAL 21 2.630 -5.425 6.029 151 HG12 VAL 21 HG12 VAL 21 2.855 -6.443 7.452 152 HG13 VAL 21 HG13 VAL 21 4.241 -5.637 6.715 153 HG21 VAL 21 HG21 VAL 21 3.562 -2.289 7.878 154 HG22 VAL 21 HG22 VAL 21 2.614 -2.747 6.462 155 HG23 VAL 21 HG23 VAL 21 4.303 -3.239 6.590 156 H LEU 22 H LEU 22 1.583 -4.551 10.789 157 HA LEU 22 HA LEU 22 1.465 -7.374 10.956 158 HB2 LEU 22 HB2 LEU 22 1.170 -5.135 12.921 159 HB3 LEU 22 HB3 LEU 22 0.810 -6.772 13.410 160 HG LEU 22 HG LEU 22 3.460 -5.958 12.232 161 HD11 LEU 22 HD11 LEU 22 2.843 -4.808 14.414 162 HD12 LEU 22 HD12 LEU 22 4.347 -5.729 14.393 163 HD13 LEU 22 HD13 LEU 22 2.906 -6.410 15.148 164 HD21 LEU 22 HD21 LEU 22 2.445 -8.425 12.394 165 HD22 LEU 22 HD22 LEU 22 3.122 -8.291 14.017 166 HD23 LEU 22 HD23 LEU 22 4.161 -8.079 12.608 167 H ASP 23 H ASP 23 -0.985 -4.836 11.403 168 HA ASP 23 HA ASP 23 -3.116 -6.255 12.340 169 HB2 ASP 23 HB2 ASP 23 -2.779 -3.746 11.301 170 HB3 ASP 23 HB3 ASP 23 -3.849 -4.481 10.111 171 H ASP 24 H ASP 24 -3.264 -8.362 11.657 172 HA ASP 24 HA ASP 24 -3.453 -9.000 8.843 173 HB2 ASP 24 HB2 ASP 24 -3.792 -11.340 9.703 174 HB3 ASP 24 HB3 ASP 24 -2.287 -10.581 10.212 175 H THR 25 H THR 25 -5.618 -8.121 11.329 176 HA THR 25 HA THR 25 -7.900 -9.575 10.457 177 HB THR 25 HB THR 25 -7.857 -8.729 12.701 178 HG1 THR 25 HG1 THR 25 -9.890 -8.657 11.470 179 HG21 THR 25 HG21 THR 25 -6.740 -6.833 13.058 180 HG22 THR 25 HG22 THR 25 -8.279 -6.049 12.697 181 HG23 THR 25 HG23 THR 25 -7.059 -6.222 11.434 182 H LYS 26 H LYS 26 -6.246 -6.949 9.114 183 HA LYS 26 HA LYS 26 -8.531 -6.387 7.355 184 HB2 LYS 26 HB2 LYS 26 -6.628 -4.290 8.413 185 HB3 LYS 26 HB3 LYS 26 -7.996 -4.017 7.345 186 HG2 LYS 26 HG2 LYS 26 -8.663 -5.345 9.873 187 HG3 LYS 26 HG3 LYS 26 -8.045 -3.701 10.033 188 HD2 LYS 26 HD2 LYS 26 -10.130 -3.023 9.604 189 HD3 LYS 26 HD3 LYS 26 -9.832 -3.514 7.936 190 HE2 LYS 26 HE2 LYS 26 -11.584 -4.876 8.191 191 HE3 LYS 26 HE3 LYS 26 -10.506 -5.881 9.159 192 HZ1 LYS 26 HZ1 LYS 26 -12.110 -5.596 10.689 193 HZ2 LYS 26 HZ2 LYS 26 -12.693 -4.167 9.999 194 HZ3 LYS 26 HZ3 LYS 26 -11.320 -4.129 10.985 195 H ASP 27 H ASP 27 -7.829 -5.289 5.304 196 HA ASP 27 HA ASP 27 -5.567 -6.713 4.211 197 HB2 ASP 27 HB2 ASP 27 -7.920 -5.335 3.175 198 HB3 ASP 27 HB3 ASP 27 -6.469 -4.962 2.249 199 H VAL 28 H VAL 28 -3.572 -5.913 3.838 200 HA VAL 28 HA VAL 28 -3.181 -3.026 4.285 201 HB VAL 28 HB VAL 28 -1.279 -5.285 4.920 202 HG11 VAL 28 HG11 VAL 28 0.264 -3.688 4.500 203 HG12 VAL 28 HG12 VAL 28 -0.196 -3.127 6.107 204 HG13 VAL 28 HG13 VAL 28 -0.894 -2.370 4.676 205 HG21 VAL 28 HG21 VAL 28 -2.961 -5.221 6.578 206 HG22 VAL 28 HG22 VAL 28 -2.951 -3.458 6.624 207 HG23 VAL 28 HG23 VAL 28 -1.578 -4.365 7.259 208 H LEU 29 H LEU 29 -2.051 -1.874 2.856 209 HA LEU 29 HA LEU 29 -0.672 -3.264 0.664 210 HB2 LEU 29 HB2 LEU 29 -3.123 -2.138 0.312 211 HB3 LEU 29 HB3 LEU 29 -2.085 -0.776 -0.058 212 HG LEU 29 HG LEU 29 -2.236 -3.427 -1.472 213 HD11 LEU 29 HD11 LEU 29 -3.825 -1.600 -2.064 214 HD12 LEU 29 HD12 LEU 29 -2.777 -2.109 -3.388 215 HD13 LEU 29 HD13 LEU 29 -2.437 -0.612 -2.521 216 HD21 LEU 29 HD21 LEU 29 -0.404 -2.068 -2.901 217 HD22 LEU 29 HD22 LEU 29 0.008 -3.255 -1.663 218 HD23 LEU 29 HD23 LEU 29 0.018 -1.536 -1.273 219 H ILE 30 H ILE 30 1.384 -2.721 1.248 220 HA ILE 30 HA ILE 30 1.948 0.107 1.811 221 HB ILE 30 HB ILE 30 2.719 -1.412 3.536 222 HG12 ILE 30 HG12 ILE 30 5.221 -0.622 2.073 223 HG13 ILE 30 HG13 ILE 30 4.116 0.615 2.664 224 HG21 ILE 30 HG21 ILE 30 4.484 -3.078 3.043 225 HG22 ILE 30 HG22 ILE 30 4.265 -2.753 1.324 226 HG23 ILE 30 HG23 ILE 30 2.943 -3.443 2.266 227 HD11 ILE 30 HD11 ILE 30 5.182 0.506 4.596 228 HD12 ILE 30 HD12 ILE 30 6.083 -0.922 4.086 229 HD13 ILE 30 HD13 ILE 30 4.489 -1.101 4.819 230 H GLU 31 H GLU 31 3.392 1.281 0.640 231 HA GLU 31 HA GLU 31 4.709 -0.031 -1.639 232 HB2 GLU 31 HB2 GLU 31 2.733 1.032 -2.544 233 HB3 GLU 31 HB3 GLU 31 3.109 2.534 -1.712 234 HG2 GLU 31 HG2 GLU 31 5.180 1.519 -3.546 235 HG3 GLU 31 HG3 GLU 31 3.678 2.066 -4.290 236 H PHE 32 H PHE 32 6.831 0.357 -1.622 237 HA PHE 32 HA PHE 32 7.815 2.602 -0.019 238 HB2 PHE 32 HB2 PHE 32 9.529 0.410 -1.160 239 HB3 PHE 32 HB3 PHE 32 9.861 1.458 0.212 240 HD1 PHE 32 HD1 PHE 32 7.655 -1.295 -0.935 241 HD2 PHE 32 HD2 PHE 32 9.309 0.803 2.376 242 HE1 PHE 32 HE1 PHE 32 6.752 -3.000 0.590 243 HE2 PHE 32 HE2 PHE 32 8.411 -0.898 3.908 244 HZ PHE 32 HZ PHE 32 7.129 -2.804 3.015 245 H TYR 33 H TYR 33 9.165 4.168 -0.807 246 HA TYR 33 HA TYR 33 10.139 4.064 -3.524 247 HB2 TYR 33 HB2 TYR 33 8.988 6.139 -4.224 248 HB3 TYR 33 HB3 TYR 33 7.859 4.823 -3.918 249 HD1 TYR 33 HD2 TYR 33 6.987 4.766 -1.377 250 HD2 TYR 33 HD1 TYR 33 8.421 8.217 -3.408 251 HE1 TYR 33 HE2 TYR 33 5.735 6.197 0.182 252 HE2 TYR 33 HE1 TYR 33 7.174 9.658 -1.855 253 HH TYR 33 HH TYR 33 5.297 9.555 -0.352 254 H ALA 34 H ALA 34 11.155 6.317 -4.065 255 HA ALA 34 HA ALA 34 12.536 7.255 -1.635 256 HB1 ALA 34 HB1 ALA 34 13.534 6.497 -4.300 257 HB2 ALA 34 HB2 ALA 34 14.322 6.415 -2.724 258 HB3 ALA 34 HB3 ALA 34 14.251 7.946 -3.597 259 HA PRO 35 HA PRO 35 10.858 11.259 -2.531 260 HB2 PRO 35 HB2 PRO 35 12.562 12.786 -1.073 261 HB3 PRO 35 HB3 PRO 35 11.300 11.789 -0.340 262 HG2 PRO 35 HG2 PRO 35 14.222 11.220 -0.653 263 HG3 PRO 35 HG3 PRO 35 13.171 10.940 0.748 264 HD2 PRO 35 HD2 PRO 35 13.875 8.966 -0.971 265 HD3 PRO 35 HD3 PRO 35 12.313 8.989 -0.127 266 H TRP 36 H TRP 36 13.980 10.249 -3.464 267 HA TRP 36 HA TRP 36 14.426 12.715 -4.998 268 HB2 TRP 36 HB2 TRP 36 16.745 11.564 -5.362 269 HB3 TRP 36 HB3 TRP 36 16.397 12.353 -3.828 270 HD1 TRP 36 HD1 TRP 36 15.802 10.695 -1.729 271 HE1 TRP 36 HE1 TRP 36 16.587 8.293 -1.245 272 HE3 TRP 36 HE3 TRP 36 17.384 9.399 -6.415 273 HZ2 TRP 36 HZ2 TRP 36 17.728 6.135 -2.661 274 HZ3 TRP 36 HZ3 TRP 36 18.311 7.147 -6.765 275 HH2 TRP 36 HH2 TRP 36 18.479 5.550 -4.926 276 H CYS 37 H CYS 37 13.858 9.291 -5.256 277 HA CYS 37 HA CYS 37 14.587 8.979 -7.975 278 HB2 CYS 37 HB2 CYS 37 14.221 7.142 -6.243 279 HB3 CYS 37 HB3 CYS 37 12.497 7.354 -6.529 280 HG CYS 37 HG CYS 37 13.308 6.789 -9.155 281 H GLY 38 H GLY 38 13.368 9.050 -9.843 282 HA2 GLY 38 HA2 GLY 38 11.110 10.842 -9.777 283 HA3 GLY 38 HA3 GLY 38 11.847 10.143 -11.210 284 H HIS 39 H HIS 39 11.523 7.426 -9.801 285 HA HIS 39 HA HIS 39 9.222 6.599 -11.144 286 HB2 HIS 39 HB2 HIS 39 11.131 5.421 -9.261 287 HB3 HIS 39 HB3 HIS 39 9.516 4.731 -9.136 288 HD1 HIS 39 HD1 HIS 39 8.569 4.375 -11.886 289 HD2 HIS 39 HD2 HIS 39 12.573 3.853 -10.906 290 HE1 HIS 39 HE1 HIS 39 9.522 2.920 -13.703 291 HE2 HIS 39 HE2 HIS 39 11.966 2.690 -13.134 292 H CYS 40 H CYS 40 9.647 7.859 -7.909 293 HA CYS 40 HA CYS 40 7.223 7.032 -6.778 294 HB2 CYS 40 HB2 CYS 40 7.573 8.733 -5.118 295 HB3 CYS 40 HB3 CYS 40 9.141 8.052 -5.535 296 HG CYS 40 HG CYS 40 8.251 10.802 -6.684 297 H LYS 41 H LYS 41 8.014 9.805 -8.800 298 HA LYS 41 HA LYS 41 5.579 11.188 -8.514 299 HB2 LYS 41 HB2 LYS 41 7.650 11.155 -10.704 300 HB3 LYS 41 HB3 LYS 41 6.230 12.190 -10.769 301 HG2 LYS 41 HG2 LYS 41 7.708 12.374 -8.256 302 HG3 LYS 41 HG3 LYS 41 8.636 12.865 -9.675 303 HD2 LYS 41 HD2 LYS 41 6.473 14.206 -10.265 304 HD3 LYS 41 HD3 LYS 41 6.132 14.039 -8.542 305 HE2 LYS 41 HE2 LYS 41 8.623 14.870 -8.318 306 HE3 LYS 41 HE3 LYS 41 8.306 15.539 -9.918 307 HZ1 LYS 41 HZ1 LYS 41 6.275 16.036 -7.900 308 HZ2 LYS 41 HZ2 LYS 41 6.887 17.062 -9.097 309 HZ3 LYS 41 HZ3 LYS 41 7.754 16.823 -7.665 310 H ALA 42 H ALA 42 6.662 8.845 -10.958 311 HA ALA 42 HA ALA 42 4.330 8.865 -12.516 312 HB1 ALA 42 HB1 ALA 42 6.445 7.905 -13.284 313 HB2 ALA 42 HB2 ALA 42 5.122 6.747 -13.428 314 HB3 ALA 42 HB3 ALA 42 6.282 6.602 -12.107 315 H LEU 43 H LEU 43 5.237 6.940 -9.696 316 HA LEU 43 HA LEU 43 2.696 5.519 -9.765 317 HB2 LEU 43 HB2 LEU 43 5.269 4.889 -8.862 318 HB3 LEU 43 HB3 LEU 43 4.299 5.030 -7.408 319 HG LEU 43 HG LEU 43 3.730 3.213 -9.752 320 HD11 LEU 43 HD11 LEU 43 5.602 2.797 -7.903 321 HD12 LEU 43 HD12 LEU 43 4.615 1.495 -8.569 322 HD13 LEU 43 HD13 LEU 43 4.201 2.207 -7.009 323 HD21 LEU 43 HD21 LEU 43 1.748 2.612 -8.807 324 HD22 LEU 43 HD22 LEU 43 1.806 4.295 -8.283 325 HD23 LEU 43 HD23 LEU 43 2.278 3.009 -7.173 326 H ALA 44 H ALA 44 3.599 8.478 -8.730 327 HA ALA 44 HA ALA 44 2.599 8.614 -6.097 328 HB1 ALA 44 HB1 ALA 44 3.354 10.700 -6.220 329 HB2 ALA 44 HB2 ALA 44 2.241 11.089 -7.532 330 HB3 ALA 44 HB3 ALA 44 3.811 10.371 -7.891 331 HA PRO 45 HA PRO 45 -1.547 10.168 -7.992 332 HB2 PRO 45 HB2 PRO 45 -1.910 9.970 -10.669 333 HB3 PRO 45 HB3 PRO 45 -1.175 11.385 -9.906 334 HG2 PRO 45 HG2 PRO 45 0.143 9.072 -11.274 335 HG3 PRO 45 HG3 PRO 45 0.514 10.802 -11.394 336 HD2 PRO 45 HD2 PRO 45 1.947 9.096 -9.848 337 HD3 PRO 45 HD3 PRO 45 1.719 10.806 -9.433 338 H LYS 46 H LYS 46 -0.003 7.378 -9.459 339 HA LYS 46 HA LYS 46 -2.403 5.936 -9.989 340 HB2 LYS 46 HB2 LYS 46 0.334 4.747 -9.550 341 HB3 LYS 46 HB3 LYS 46 -0.991 4.074 -10.487 342 HG2 LYS 46 HG2 LYS 46 0.569 6.556 -11.172 343 HG3 LYS 46 HG3 LYS 46 0.752 4.972 -11.926 344 HD2 LYS 46 HD2 LYS 46 -2.003 5.919 -11.934 345 HD3 LYS 46 HD3 LYS 46 -0.903 7.002 -12.790 346 HE2 LYS 46 HE2 LYS 46 -0.285 5.364 -14.322 347 HE3 LYS 46 HE3 LYS 46 -0.827 4.049 -13.280 348 HZ1 LYS 46 HZ1 LYS 46 -2.515 4.113 -14.788 349 HZ2 LYS 46 HZ2 LYS 46 -2.389 5.779 -15.054 350 HZ3 LYS 46 HZ3 LYS 46 -3.132 5.202 -13.648 351 H TYR 47 H TYR 47 0.104 5.499 -7.488 352 HA TYR 47 HA TYR 47 -1.390 3.608 -6.007 353 HB2 TYR 47 HB2 TYR 47 1.145 4.092 -5.934 354 HB3 TYR 47 HB3 TYR 47 0.727 5.378 -4.806 355 HD1 TYR 47 HD1 TYR 47 -0.034 1.751 -5.323 356 HD2 TYR 47 HD2 TYR 47 0.848 4.867 -2.564 357 HE1 TYR 47 HE1 TYR 47 -0.058 0.120 -3.483 358 HE2 TYR 47 HE2 TYR 47 0.829 3.245 -0.716 359 HH TYR 47 HH TYR 47 1.133 0.094 -1.034 360 H GLU 48 H GLU 48 -1.328 7.080 -6.064 361 HA GLU 48 HA GLU 48 -2.590 7.473 -3.534 362 HB2 GLU 48 HB2 GLU 48 -1.246 9.230 -4.598 363 HB3 GLU 48 HB3 GLU 48 -2.397 9.315 -5.925 364 HG2 GLU 48 HG2 GLU 48 -4.142 9.951 -4.241 365 HG3 GLU 48 HG3 GLU 48 -2.845 10.082 -3.054 366 H GLU 49 H GLU 49 -3.702 7.049 -6.837 367 HA GLU 49 HA GLU 49 -6.387 7.829 -6.407 368 HB2 GLU 49 HB2 GLU 49 -4.832 6.950 -8.581 369 HB3 GLU 49 HB3 GLU 49 -6.154 5.799 -8.446 370 HG2 GLU 49 HG2 GLU 49 -6.643 8.754 -8.444 371 HG3 GLU 49 HG3 GLU 49 -6.480 7.839 -9.943 372 H LEU 50 H LEU 50 -5.072 4.540 -6.861 373 HA LEU 50 HA LEU 50 -7.356 3.169 -6.048 374 HB2 LEU 50 HB2 LEU 50 -5.603 2.052 -7.250 375 HB3 LEU 50 HB3 LEU 50 -4.452 2.382 -5.972 376 HG LEU 50 HG LEU 50 -5.417 0.004 -6.186 377 HD11 LEU 50 HD11 LEU 50 -5.828 0.395 -3.438 378 HD12 LEU 50 HD12 LEU 50 -4.634 1.594 -3.935 379 HD13 LEU 50 HD13 LEU 50 -4.349 -0.117 -4.250 380 HD21 LEU 50 HD21 LEU 50 -7.547 -0.444 -5.590 381 HD22 LEU 50 HD22 LEU 50 -7.815 1.221 -6.104 382 HD23 LEU 50 HD23 LEU 50 -7.600 0.850 -4.393 383 H GLY 51 H GLY 51 -4.566 4.283 -4.166 384 HA2 GLY 51 HA2 GLY 51 -4.997 3.041 -1.757 385 HA3 GLY 51 HA3 GLY 51 -4.350 4.666 -1.909 386 H ALA 52 H ALA 52 -6.130 6.366 -2.368 387 HA ALA 52 HA ALA 52 -7.888 6.367 -0.153 388 HB1 ALA 52 HB1 ALA 52 -8.872 8.398 -1.453 389 HB2 ALA 52 HB2 ALA 52 -7.475 8.163 -2.503 390 HB3 ALA 52 HB3 ALA 52 -7.243 8.490 -0.786 391 H LEU 53 H LEU 53 -8.196 5.249 -3.399 392 HA LEU 53 HA LEU 53 -10.857 5.422 -3.980 393 HB2 LEU 53 HB2 LEU 53 -8.642 4.013 -4.921 394 HB3 LEU 53 HB3 LEU 53 -9.833 2.775 -4.582 395 HG LEU 53 HG LEU 53 -11.094 4.915 -6.011 396 HD11 LEU 53 HD11 LEU 53 -8.662 3.753 -7.361 397 HD12 LEU 53 HD12 LEU 53 -8.848 5.430 -6.843 398 HD13 LEU 53 HD13 LEU 53 -9.881 4.781 -8.115 399 HD21 LEU 53 HD21 LEU 53 -11.884 3.186 -7.353 400 HD22 LEU 53 HD22 LEU 53 -11.613 2.401 -5.797 401 HD23 LEU 53 HD23 LEU 53 -10.439 2.206 -7.101 402 H TYR 54 H TYR 54 -9.460 2.447 -2.593 403 HA TYR 54 HA TYR 54 -12.063 1.692 -1.563 404 HB2 TYR 54 HB2 TYR 54 -9.384 0.300 -1.411 405 HB3 TYR 54 HB3 TYR 54 -10.902 -0.377 -0.838 406 HD1 TYR 54 HD2 TYR 54 -12.260 1.111 -3.430 407 HD2 TYR 54 HD1 TYR 54 -9.234 -1.809 -2.775 408 HE1 TYR 54 HE2 TYR 54 -12.684 0.178 -5.664 409 HE2 TYR 54 HE1 TYR 54 -9.650 -2.748 -5.007 410 HH TYR 54 HH TYR 54 -12.298 -2.269 -6.741 411 H ALA 55 H ALA 55 -9.032 2.906 -0.338 412 HA ALA 55 HA ALA 55 -9.138 2.292 2.318 413 HB1 ALA 55 HB1 ALA 55 -8.273 4.881 1.049 414 HB2 ALA 55 HB2 ALA 55 -7.269 3.478 1.414 415 HB3 ALA 55 HB3 ALA 55 -7.953 4.439 2.725 416 H LYS 56 H LYS 56 -11.155 4.608 0.608 417 HA LYS 56 HA LYS 56 -12.591 5.050 3.140 418 HB2 LYS 56 HB2 LYS 56 -11.126 6.983 1.886 419 HB3 LYS 56 HB3 LYS 56 -12.734 7.276 1.238 420 HG2 LYS 56 HG2 LYS 56 -12.857 8.582 3.082 421 HG3 LYS 56 HG3 LYS 56 -13.390 7.060 3.800 422 HD2 LYS 56 HD2 LYS 56 -10.717 6.824 4.089 423 HD3 LYS 56 HD3 LYS 56 -10.891 8.577 4.195 424 HE2 LYS 56 HE2 LYS 56 -12.832 6.999 5.753 425 HE3 LYS 56 HE3 LYS 56 -11.157 6.900 6.295 426 HZ1 LYS 56 HZ1 LYS 56 -12.978 9.184 6.288 427 HZ2 LYS 56 HZ2 LYS 56 -11.342 9.500 6.001 428 HZ3 LYS 56 HZ3 LYS 56 -11.815 8.731 7.431 429 H SER 57 H SER 57 -12.848 4.590 -0.336 430 HA SER 57 HA SER 57 -15.653 5.187 -0.393 431 HB2 SER 57 HB2 SER 57 -13.917 5.353 -2.315 432 HB3 SER 57 HB3 SER 57 -14.277 3.643 -2.557 433 HG SER 57 HG SER 57 -15.953 5.879 -2.847 434 H GLU 58 H GLU 58 -13.915 2.093 -0.968 435 HA GLU 58 HA GLU 58 -16.451 0.705 -0.564 436 HB2 GLU 58 HB2 GLU 58 -14.524 0.338 -2.417 437 HB3 GLU 58 HB3 GLU 58 -14.045 -0.864 -1.227 438 HG2 GLU 58 HG2 GLU 58 -15.504 -1.795 -2.952 439 HG3 GLU 58 HG3 GLU 58 -16.222 -1.903 -1.346 440 H PHE 59 H PHE 59 -13.090 0.152 0.497 441 HA PHE 59 HA PHE 59 -14.151 -1.281 2.823 442 HB2 PHE 59 HB2 PHE 59 -11.383 -1.258 1.615 443 HB3 PHE 59 HB3 PHE 59 -11.841 -2.174 3.047 444 HD1 PHE 59 HD2 PHE 59 -12.352 -1.830 -0.585 445 HD2 PHE 59 HD1 PHE 59 -13.011 -4.230 2.867 446 HE1 PHE 59 HE2 PHE 59 -13.073 -3.693 -2.022 447 HE2 PHE 59 HE1 PHE 59 -13.732 -6.097 1.437 448 HZ PHE 59 HZ PHE 59 -13.764 -5.830 -1.011 449 H LYS 60 H LYS 60 -14.328 1.501 2.853 450 HA LYS 60 HA LYS 60 -12.381 3.028 3.930 451 HB2 LYS 60 HB2 LYS 60 -14.198 4.186 5.231 452 HB3 LYS 60 HB3 LYS 60 -14.500 3.981 3.511 453 HG2 LYS 60 HG2 LYS 60 -15.919 2.044 3.997 454 HG3 LYS 60 HG3 LYS 60 -15.643 2.291 5.723 455 HD2 LYS 60 HD2 LYS 60 -16.855 4.361 3.895 456 HD3 LYS 60 HD3 LYS 60 -17.800 3.231 4.867 457 HE2 LYS 60 HE2 LYS 60 -15.766 4.623 6.415 458 HE3 LYS 60 HE3 LYS 60 -16.917 5.723 5.657 459 HZ1 LYS 60 HZ1 LYS 60 -18.102 5.262 7.495 460 HZ2 LYS 60 HZ2 LYS 60 -17.329 3.785 7.779 461 HZ3 LYS 60 HZ3 LYS 60 -18.567 3.883 6.631 462 H ASP 61 H ASP 61 -14.252 0.588 5.651 463 HA ASP 61 HA ASP 61 -12.453 0.944 7.959 464 HB2 ASP 61 HB2 ASP 61 -14.277 0.048 9.367 465 HB3 ASP 61 HB3 ASP 61 -14.744 1.535 8.548 466 H ARG 62 H ARG 62 -11.846 -0.675 5.688 467 HA ARG 62 HA ARG 62 -11.592 -3.244 7.045 468 HB2 ARG 62 HB2 ARG 62 -13.062 -2.786 4.496 469 HB3 ARG 62 HB3 ARG 62 -12.111 -4.256 4.651 470 HG2 ARG 62 HG2 ARG 62 -13.413 -4.422 6.948 471 HG3 ARG 62 HG3 ARG 62 -14.579 -3.429 6.071 472 HD2 ARG 62 HD2 ARG 62 -13.956 -5.356 4.231 473 HD3 ARG 62 HD3 ARG 62 -13.886 -6.254 5.747 474 HE ARG 62 HE ARG 62 -16.228 -4.778 5.805 475 HH11 ARG 62 HH11 ARG 62 -14.841 -7.320 3.856 476 HH12 ARG 62 HH12 ARG 62 -16.374 -8.004 3.433 477 HH21 ARG 62 HH21 ARG 62 -18.246 -5.677 5.250 478 HH22 ARG 62 HH22 ARG 62 -18.307 -7.071 4.224 479 H VAL 63 H VAL 63 -10.613 -1.142 4.374 480 HA VAL 63 HA VAL 63 -8.156 -2.732 4.100 481 HB VAL 63 HB VAL 63 -9.590 -2.316 2.053 482 HG11 VAL 63 HG11 VAL 63 -10.004 0.112 2.692 483 HG12 VAL 63 HG12 VAL 63 -9.613 -0.210 1.002 484 HG13 VAL 63 HG13 VAL 63 -8.380 0.436 2.085 485 HG21 VAL 63 HG21 VAL 63 -7.757 -2.538 0.751 486 HG22 VAL 63 HG22 VAL 63 -6.937 -2.666 2.308 487 HG23 VAL 63 HG23 VAL 63 -6.959 -1.127 1.445 488 H VAL 64 H VAL 64 -6.133 -1.664 3.890 489 HA VAL 64 HA VAL 64 -5.993 1.124 4.750 490 HB VAL 64 HB VAL 64 -4.371 -1.019 6.129 491 HG11 VAL 64 HG11 VAL 64 -3.601 1.465 5.854 492 HG12 VAL 64 HG12 VAL 64 -3.430 0.647 7.408 493 HG13 VAL 64 HG13 VAL 64 -4.772 1.760 7.139 494 HG21 VAL 64 HG21 VAL 64 -5.812 -0.338 8.130 495 HG22 VAL 64 HG22 VAL 64 -6.543 -1.394 6.922 496 HG23 VAL 64 HG23 VAL 64 -6.929 0.327 6.939 497 H ILE 65 H ILE 65 -4.973 1.936 3.011 498 HA ILE 65 HA ILE 65 -2.558 0.544 2.051 499 HB ILE 65 HB ILE 65 -4.320 2.443 0.498 500 HG12 ILE 65 HG12 ILE 65 -4.104 -0.356 -0.374 501 HG13 ILE 65 HG13 ILE 65 -4.921 -0.147 1.171 502 HG21 ILE 65 HG21 ILE 65 -2.877 1.099 -1.345 503 HG22 ILE 65 HG22 ILE 65 -1.712 1.185 -0.024 504 HG23 ILE 65 HG23 ILE 65 -2.413 2.665 -0.679 505 HD11 ILE 65 HD11 ILE 65 -5.911 0.284 -1.465 506 HD12 ILE 65 HD12 ILE 65 -5.975 1.797 -0.562 507 HD13 ILE 65 HD13 ILE 65 -6.769 0.356 0.074 508 H ALA 66 H ALA 66 -0.742 1.503 2.673 509 HA ALA 66 HA ALA 66 -0.657 4.444 2.696 510 HB1 ALA 66 HB1 ALA 66 -0.587 4.121 4.953 511 HB2 ALA 66 HB2 ALA 66 1.131 3.983 4.584 512 HB3 ALA 66 HB3 ALA 66 0.159 2.529 4.814 513 H LYS 67 H LYS 67 1.623 5.281 2.629 514 HA LYS 67 HA LYS 67 3.397 3.505 1.101 515 HB2 LYS 67 HB2 LYS 67 3.927 5.325 -0.441 516 HB3 LYS 67 HB3 LYS 67 2.211 4.947 -0.488 517 HG2 LYS 67 HG2 LYS 67 2.216 6.898 1.369 518 HG3 LYS 67 HG3 LYS 67 3.589 7.396 0.379 519 HD2 LYS 67 HD2 LYS 67 1.016 6.616 -0.928 520 HD3 LYS 67 HD3 LYS 67 1.187 8.221 -0.215 521 HE2 LYS 67 HE2 LYS 67 3.491 8.040 -1.626 522 HE3 LYS 67 HE3 LYS 67 2.411 7.079 -2.635 523 HZ1 LYS 67 HZ1 LYS 67 1.911 9.085 -3.484 524 HZ2 LYS 67 HZ2 LYS 67 2.399 9.932 -2.104 525 HZ3 LYS 67 HZ3 LYS 67 0.878 9.195 -2.148 526 H VAL 68 H VAL 68 5.377 3.436 1.908 527 HA VAL 68 HA VAL 68 6.277 5.665 3.612 528 HB VAL 68 HB VAL 68 5.920 3.593 4.887 529 HG11 VAL 68 HG11 VAL 68 7.053 1.582 4.467 530 HG12 VAL 68 HG12 VAL 68 8.162 2.344 3.327 531 HG13 VAL 68 HG13 VAL 68 6.470 2.109 2.889 532 HG21 VAL 68 HG21 VAL 68 7.887 3.700 6.128 533 HG22 VAL 68 HG22 VAL 68 7.829 5.266 5.319 534 HG23 VAL 68 HG23 VAL 68 8.884 3.995 4.703 535 H ASP 69 H ASP 69 8.630 6.025 3.648 536 HA ASP 69 HA ASP 69 9.772 5.556 0.989 537 HB2 ASP 69 HB2 ASP 69 10.903 7.505 2.968 538 HB3 ASP 69 HB3 ASP 69 10.976 7.533 1.212 539 H ALA 70 H ALA 70 11.915 4.864 0.747 540 HA ALA 70 HA ALA 70 12.805 3.056 2.808 541 HB1 ALA 70 HB1 ALA 70 13.964 3.683 0.099 542 HB2 ALA 70 HB2 ALA 70 12.893 2.341 0.502 543 HB3 ALA 70 HB3 ALA 70 14.523 2.401 1.173 544 H THR 71 H THR 71 13.176 6.276 2.532 545 HA THR 71 HA THR 71 15.942 6.693 2.804 546 HB THR 71 HB THR 71 15.392 8.922 3.477 547 HG1 THR 71 HG1 THR 71 12.755 7.993 3.944 548 HG21 THR 71 HG21 THR 71 14.788 9.243 1.368 549 HG22 THR 71 HG22 THR 71 13.123 9.128 1.938 550 HG23 THR 71 HG23 THR 71 13.934 7.702 1.292 551 H ALA 72 H ALA 72 13.426 6.749 5.377 552 HA ALA 72 HA ALA 72 15.252 5.459 7.199 553 HB1 ALA 72 HB1 ALA 72 14.301 8.025 8.299 554 HB2 ALA 72 HB2 ALA 72 15.578 8.119 7.086 555 HB3 ALA 72 HB3 ALA 72 15.823 7.171 8.553 556 H ASN 73 H ASN 73 13.925 3.947 7.940 557 HA ASN 73 HA ASN 73 11.924 4.433 9.777 558 HB2 ASN 73 HB2 ASN 73 10.005 3.475 8.169 559 HB3 ASN 73 HB3 ASN 73 10.280 5.199 8.391 560 HD21 ASN 73 HD21 ASN 73 10.626 6.386 6.656 561 HD22 ASN 73 HD22 ASN 73 10.997 5.785 5.079 562 H ASP 74 H ASP 74 10.288 2.324 9.711 563 HA ASP 74 HA ASP 74 11.803 0.174 10.508 564 HB2 ASP 74 HB2 ASP 74 9.028 0.698 10.035 565 HB3 ASP 74 HB3 ASP 74 9.417 -0.893 9.391 566 H VAL 75 H VAL 75 9.822 -0.137 7.583 567 HA VAL 75 HA VAL 75 10.131 -1.449 5.730 568 HB VAL 75 HB VAL 75 11.203 0.645 5.078 569 HG11 VAL 75 HG11 VAL 75 13.752 0.684 5.122 570 HG12 VAL 75 HG12 VAL 75 13.634 -0.596 6.329 571 HG13 VAL 75 HG13 VAL 75 12.912 0.982 6.643 572 HG21 VAL 75 HG21 VAL 75 11.288 -1.611 3.714 573 HG22 VAL 75 HG22 VAL 75 13.025 -1.419 3.950 574 HG23 VAL 75 HG23 VAL 75 12.102 -0.158 3.134 575 HA PRO 76 HA PRO 76 13.042 -4.409 8.106 576 HB2 PRO 76 HB2 PRO 76 11.095 -6.362 8.329 577 HB3 PRO 76 HB3 PRO 76 11.516 -5.207 9.597 578 HG2 PRO 76 HG2 PRO 76 9.271 -5.124 7.626 579 HG3 PRO 76 HG3 PRO 76 9.275 -4.680 9.343 580 HD2 PRO 76 HD2 PRO 76 9.355 -2.815 7.421 581 HD3 PRO 76 HD3 PRO 76 10.262 -2.619 8.936 582 H ASP 77 H ASP 77 10.753 -4.615 5.469 583 HA ASP 77 HA ASP 77 11.816 -7.046 4.380 584 HB2 ASP 77 HB2 ASP 77 9.960 -4.945 3.255 585 HB3 ASP 77 HB3 ASP 77 10.429 -6.392 2.368 586 H GLU 78 H GLU 78 12.962 -7.256 2.389 587 HA GLU 78 HA GLU 78 14.922 -5.136 2.013 588 HB2 GLU 78 HB2 GLU 78 15.237 -7.803 2.130 589 HB3 GLU 78 HB3 GLU 78 15.047 -7.618 0.392 590 HG2 GLU 78 HG2 GLU 78 16.837 -5.689 0.823 591 HG3 GLU 78 HG3 GLU 78 17.243 -6.755 2.167 592 H ILE 79 H ILE 79 15.494 -4.349 -0.102 593 HA ILE 79 HA ILE 79 13.490 -4.718 -2.204 594 HB ILE 79 HB ILE 79 14.364 -1.947 -1.419 595 HG12 ILE 79 HG12 ILE 79 13.063 -2.996 0.436 596 HG13 ILE 79 HG13 ILE 79 12.262 -1.606 -0.293 597 HG21 ILE 79 HG21 ILE 79 13.628 -1.824 -3.583 598 HG22 ILE 79 HG22 ILE 79 12.130 -1.519 -2.704 599 HG23 ILE 79 HG23 ILE 79 12.451 -3.119 -3.374 600 HD11 ILE 79 HD11 ILE 79 10.491 -2.817 -0.838 601 HD12 ILE 79 HD12 ILE 79 11.166 -4.099 0.167 602 HD13 ILE 79 HD13 ILE 79 11.483 -4.079 -1.568 603 H GLN 80 H GLN 80 14.236 -4.353 -4.282 604 HA GLN 80 HA GLN 80 17.092 -4.436 -4.654 605 HB2 GLN 80 HB2 GLN 80 14.711 -4.437 -6.505 606 HB3 GLN 80 HB3 GLN 80 16.346 -4.279 -7.135 607 HG2 GLN 80 HG2 GLN 80 16.879 -6.434 -6.690 608 HG3 GLN 80 HG3 GLN 80 15.838 -6.515 -5.269 609 HE21 GLN 80 HE22 GLN 80 13.658 -6.995 -5.522 610 HE22 GLN 80 HE32 GLN 80 13.030 -7.684 -6.977 611 H GLY 81 H GLY 81 14.445 -2.243 -5.354 612 HA2 GLY 81 HA2 GLY 81 16.336 0.019 -5.422 613 HA3 GLY 81 HA3 GLY 81 15.021 -0.106 -6.593 614 H PHE 82 H PHE 82 12.878 0.128 -5.903 615 HA PHE 82 HA PHE 82 12.129 0.436 -3.223 616 HB2 PHE 82 HB2 PHE 82 11.719 2.999 -4.658 617 HB3 PHE 82 HB3 PHE 82 11.645 2.612 -2.928 618 HD1 PHE 82 HD1 PHE 82 13.871 3.418 -5.732 619 HD2 PHE 82 HD2 PHE 82 13.626 2.630 -1.559 620 HE1 PHE 82 HE1 PHE 82 16.161 4.272 -5.442 621 HE2 PHE 82 HE2 PHE 82 15.915 3.484 -1.258 622 HZ PHE 82 HZ PHE 82 17.185 4.306 -3.202 623 HA PRO 83 HA PRO 83 8.466 1.924 -6.030 624 HB2 PRO 83 HB2 PRO 83 9.054 0.753 -8.481 625 HB3 PRO 83 HB3 PRO 83 8.898 2.461 -8.096 626 HG2 PRO 83 HG2 PRO 83 11.350 0.807 -8.358 627 HG3 PRO 83 HG3 PRO 83 11.100 2.520 -8.757 628 HD2 PRO 83 HD2 PRO 83 12.402 1.833 -6.550 629 HD3 PRO 83 HD3 PRO 83 11.240 3.180 -6.524 630 H THR 84 H THR 84 8.381 0.315 -4.422 631 HA THR 84 HA THR 84 7.888 -2.407 -5.385 632 HB THR 84 HB THR 84 8.148 -2.798 -2.791 633 HG1 THR 84 HG1 THR 84 10.005 -0.830 -2.769 634 HG21 THR 84 HG21 THR 84 10.338 -3.443 -3.074 635 HG22 THR 84 HG22 THR 84 10.678 -2.117 -4.188 636 HG23 THR 84 HG23 THR 84 9.701 -3.488 -4.719 637 H ILE 85 H ILE 85 6.098 -3.530 -4.701 638 HA ILE 85 HA ILE 85 4.042 -2.075 -3.202 639 HB ILE 85 HB ILE 85 3.309 -3.588 -5.696 640 HG12 ILE 85 HG12 ILE 85 4.877 -1.713 -6.259 641 HG13 ILE 85 HG13 ILE 85 3.268 -1.532 -6.953 642 HG21 ILE 85 HG21 ILE 85 1.850 -1.391 -4.244 643 HG22 ILE 85 HG22 ILE 85 1.608 -3.109 -3.927 644 HG23 ILE 85 HG23 ILE 85 1.226 -2.443 -5.515 645 HD11 ILE 85 HD11 ILE 85 2.797 0.298 -5.716 646 HD12 ILE 85 HD12 ILE 85 4.554 0.447 -5.729 647 HD13 ILE 85 HD13 ILE 85 3.739 -0.256 -4.332 648 H LYS 86 H LYS 86 3.803 -3.357 -1.479 649 HA LYS 86 HA LYS 86 3.655 -6.265 -1.909 650 HB2 LYS 86 HB2 LYS 86 5.312 -4.922 -0.222 651 HB3 LYS 86 HB3 LYS 86 3.960 -5.263 0.848 652 HG2 LYS 86 HG2 LYS 86 4.146 -7.667 0.169 653 HG3 LYS 86 HG3 LYS 86 5.638 -7.241 -0.672 654 HD2 LYS 86 HD2 LYS 86 5.149 -6.724 2.257 655 HD3 LYS 86 HD3 LYS 86 5.964 -8.159 1.633 656 HE2 LYS 86 HE2 LYS 86 6.905 -5.420 0.875 657 HE3 LYS 86 HE3 LYS 86 7.381 -6.135 2.415 658 HZ1 LYS 86 HZ1 LYS 86 9.007 -6.554 0.661 659 HZ2 LYS 86 HZ2 LYS 86 7.835 -7.361 -0.253 660 HZ3 LYS 86 HZ3 LYS 86 8.334 -7.998 1.232 661 H LEU 87 H LEU 87 2.039 -7.469 -0.881 662 HA LEU 87 HA LEU 87 -0.192 -5.923 0.246 663 HB2 LEU 87 HB2 LEU 87 -0.538 -6.621 -2.176 664 HB3 LEU 87 HB3 LEU 87 -0.570 -8.275 -1.598 665 HG LEU 87 HG LEU 87 -2.824 -7.312 -1.960 666 HD11 LEU 87 HD11 LEU 87 -2.259 -9.111 -0.250 667 HD12 LEU 87 HD12 LEU 87 -3.792 -8.262 -0.053 668 HD13 LEU 87 HD13 LEU 87 -2.415 -7.841 0.964 669 HD21 LEU 87 HD21 LEU 87 -1.731 -5.106 -0.588 670 HD22 LEU 87 HD22 LEU 87 -3.010 -5.762 0.433 671 HD23 LEU 87 HD23 LEU 87 -3.362 -5.290 -1.229 672 H TYR 88 H TYR 88 -0.626 -6.583 2.219 673 HA TYR 88 HA TYR 88 0.158 -9.277 3.049 674 HB2 TYR 88 HB2 TYR 88 -0.021 -6.677 4.355 675 HB3 TYR 88 HB3 TYR 88 -0.794 -7.949 5.295 676 HD1 TYR 88 HD2 TYR 88 2.341 -7.572 3.281 677 HD2 TYR 88 HD1 TYR 88 0.546 -8.898 6.903 678 HE1 TYR 88 HE2 TYR 88 4.544 -8.288 4.104 679 HE2 TYR 88 HE1 TYR 88 2.744 -9.617 7.737 680 HH TYR 88 HH TYR 88 5.513 -9.785 5.714 681 HA PRO 89 HA PRO 89 -4.264 -10.156 2.430 682 HB2 PRO 89 HB2 PRO 89 -3.994 -12.854 2.822 683 HB3 PRO 89 HB3 PRO 89 -3.724 -12.051 1.272 684 HG2 PRO 89 HG2 PRO 89 -1.734 -12.928 3.326 685 HG3 PRO 89 HG3 PRO 89 -1.653 -13.060 1.559 686 HD2 PRO 89 HD2 PRO 89 -0.324 -11.146 2.904 687 HD3 PRO 89 HD3 PRO 89 -1.020 -10.849 1.298 688 H ALA 90 H ALA 90 -5.683 -9.858 4.010 689 HA ALA 90 HA ALA 90 -5.098 -9.974 6.733 690 HB1 ALA 90 HB1 ALA 90 -7.782 -10.088 5.363 691 HB2 ALA 90 HB2 ALA 90 -6.925 -8.638 5.883 692 HB3 ALA 90 HB3 ALA 90 -7.533 -9.780 7.081 693 H GLY 91 H GLY 91 -4.944 -11.599 8.133 694 HA2 GLY 91 HA2 GLY 91 -5.687 -13.597 9.169 695 HA3 GLY 91 HA3 GLY 91 -6.459 -14.061 7.660 696 H ALA 92 H ALA 92 -3.986 -13.336 6.147 697 HA ALA 92 HA ALA 92 -2.444 -15.756 6.810 698 HB1 ALA 92 HB1 ALA 92 -1.758 -15.722 4.412 699 HB2 ALA 92 HB2 ALA 92 -2.886 -14.389 4.160 700 HB3 ALA 92 HB3 ALA 92 -3.485 -15.970 4.665 701 H LYS 93 H LYS 93 -1.163 -14.546 8.334 702 HA LYS 93 HA LYS 93 0.447 -12.349 7.391 703 HB2 LYS 93 HB2 LYS 93 1.439 -12.387 9.627 704 HB3 LYS 93 HB3 LYS 93 -0.317 -12.419 9.717 705 HG2 LYS 93 HG2 LYS 93 0.974 -15.056 9.698 706 HG3 LYS 93 HG3 LYS 93 1.319 -14.056 11.110 707 HD2 LYS 93 HD2 LYS 93 -0.802 -14.182 11.881 708 HD3 LYS 93 HD3 LYS 93 -1.503 -14.138 10.261 709 HE2 LYS 93 HE2 LYS 93 -2.004 -16.283 11.023 710 HE3 LYS 93 HE3 LYS 93 -0.577 -16.519 10.015 711 HZ1 LYS 93 HZ1 LYS 93 -0.419 -17.730 12.106 712 HZ2 LYS 93 HZ2 LYS 93 -0.567 -16.287 12.976 713 HZ3 LYS 93 HZ3 LYS 93 0.788 -16.549 11.999 714 H GLY 94 H GLY 94 1.094 -14.057 5.596 715 HA2 GLY 94 HA2 GLY 94 3.846 -14.483 5.836 716 HA3 GLY 94 HA3 GLY 94 3.045 -16.004 6.203 717 H GLN 95 H GLN 95 1.938 -13.590 3.885 718 HA GLN 95 HA GLN 95 2.912 -15.118 1.631 719 HB2 GLN 95 HB2 GLN 95 -0.012 -14.978 2.338 720 HB3 GLN 95 HB3 GLN 95 0.528 -15.249 0.687 721 HG2 GLN 95 HG2 GLN 95 1.174 -16.987 3.057 722 HG3 GLN 95 HG3 GLN 95 -0.023 -17.336 1.811 723 HE21 GLN 95 HE22 GLN 95 2.902 -18.192 2.808 724 HE22 GLN 95 HE32 GLN 95 3.650 -18.610 1.308 725 HA PRO 96 HA PRO 96 2.086 -10.506 1.031 726 HB2 PRO 96 HB2 PRO 96 4.592 -9.548 1.205 727 HB3 PRO 96 HB3 PRO 96 3.584 -9.788 2.637 728 HG2 PRO 96 HG2 PRO 96 5.763 -11.525 1.542 729 HG3 PRO 96 HG3 PRO 96 5.436 -11.068 3.224 730 HD2 PRO 96 HD2 PRO 96 4.692 -13.463 2.139 731 HD3 PRO 96 HD3 PRO 96 3.827 -12.683 3.479 732 H VAL 97 H VAL 97 1.898 -9.959 -1.052 733 HA VAL 97 HA VAL 97 3.390 -11.370 -3.071 734 HB VAL 97 HB VAL 97 2.084 -10.095 -4.695 735 HG11 VAL 97 HG11 VAL 97 -0.089 -10.716 -2.854 736 HG12 VAL 97 HG12 VAL 97 1.135 -11.983 -2.942 737 HG13 VAL 97 HG13 VAL 97 0.322 -11.438 -4.409 738 HG21 VAL 97 HG21 VAL 97 1.248 -8.535 -2.274 739 HG22 VAL 97 HG22 VAL 97 0.245 -8.594 -3.722 740 HG23 VAL 97 HG23 VAL 97 1.881 -7.942 -3.808 741 H THR 98 H THR 98 4.715 -10.409 -4.686 742 HA THR 98 HA THR 98 5.869 -7.806 -3.943 743 HB THR 98 HB THR 98 7.627 -9.898 -5.139 744 HG1 THR 98 HG1 THR 98 7.064 -11.139 -3.510 745 HG21 THR 98 HG21 THR 98 9.160 -8.818 -3.331 746 HG22 THR 98 HG22 THR 98 7.974 -7.515 -3.394 747 HG23 THR 98 HG23 THR 98 8.846 -7.985 -4.853 748 H TYR 99 H TYR 99 5.285 -6.473 -5.527 749 HA TYR 99 HA TYR 99 4.881 -7.381 -8.225 750 HB2 TYR 99 HB2 TYR 99 4.130 -5.115 -6.662 751 HB3 TYR 99 HB3 TYR 99 4.960 -4.534 -8.102 752 HD1 TYR 99 HD1 TYR 99 4.136 -6.590 -10.076 753 HD2 TYR 99 HD2 TYR 99 1.891 -4.594 -7.065 754 HE1 TYR 99 HE1 TYR 99 2.087 -6.921 -11.394 755 HE2 TYR 99 HE2 TYR 99 -0.165 -4.919 -8.374 756 HH TYR 99 HH TYR 99 -0.773 -5.286 -10.789 757 H SER 100 H SER 100 6.171 -7.090 -9.977 758 HA SER 100 HA SER 100 8.914 -6.236 -9.439 759 HB2 SER 100 HB2 SER 100 9.105 -7.183 -11.921 760 HB3 SER 100 HB3 SER 100 9.093 -8.255 -10.520 761 HG SER 100 HG SER 100 6.787 -7.532 -12.008 762 H GLY 101 H GLY 101 6.545 -4.403 -9.895 763 HA2 GLY 101 HA2 GLY 101 6.964 -2.140 -10.674 764 HA3 GLY 101 HA3 GLY 101 7.796 -2.833 -12.058 765 H SER 102 H SER 102 4.754 -1.923 -10.703 766 HA SER 102 HA SER 102 3.093 -3.169 -12.653 767 HB2 SER 102 HB2 SER 102 1.444 -1.326 -11.800 768 HB3 SER 102 HB3 SER 102 1.934 -2.622 -10.709 769 HG SER 102 HG SER 102 2.600 -1.084 -9.455 770 H ARG 103 H ARG 103 1.654 -1.842 -14.114 771 HA ARG 103 HA ARG 103 3.027 0.496 -15.227 772 HB2 ARG 103 HB2 ARG 103 2.477 -0.461 -17.540 773 HB3 ARG 103 HB3 ARG 103 3.842 -1.156 -16.676 774 HG2 ARG 103 HG2 ARG 103 2.649 -3.108 -16.144 775 HG3 ARG 103 HG3 ARG 103 1.102 -2.375 -16.573 776 HD2 ARG 103 HD2 ARG 103 1.354 -2.833 -18.756 777 HD3 ARG 103 HD3 ARG 103 3.064 -2.402 -18.747 778 HE ARG 103 HE ARG 103 3.026 -4.764 -17.439 779 HH11 ARG 103 HH11 ARG 103 1.720 -3.726 -20.504 780 HH12 ARG 103 HH12 ARG 103 1.871 -5.287 -21.239 781 HH21 ARG 103 HH21 ARG 103 3.224 -6.818 -18.403 782 HH22 ARG 103 HH22 ARG 103 2.724 -7.043 -20.046 783 H THR 104 H THR 104 0.418 -0.265 -13.736 784 HA THR 104 HA THR 104 -1.196 1.742 -14.836 785 HB THR 104 HB THR 104 -1.511 0.110 -16.662 786 HG1 THR 104 HG1 THR 104 -3.751 0.621 -15.012 787 HG21 THR 104 HG21 THR 104 -3.114 -1.652 -14.892 788 HG22 THR 104 HG22 THR 104 -1.369 -1.888 -14.975 789 HG23 THR 104 HG23 THR 104 -2.344 -1.997 -16.440 790 H VAL 105 H VAL 105 -2.950 2.220 -13.528 791 HA VAL 105 HA VAL 105 -2.843 1.261 -10.875 792 HB VAL 105 HB VAL 105 -5.102 2.790 -12.175 793 HG11 VAL 105 HG11 VAL 105 -4.466 3.264 -9.358 794 HG12 VAL 105 HG12 VAL 105 -5.050 1.636 -9.699 795 HG13 VAL 105 HG13 VAL 105 -6.026 3.035 -10.147 796 HG21 VAL 105 HG21 VAL 105 -3.000 4.119 -10.547 797 HG22 VAL 105 HG22 VAL 105 -3.974 4.753 -11.874 798 HG23 VAL 105 HG23 VAL 105 -2.614 3.682 -12.212 799 H GLU 106 H GLU 106 -5.234 0.752 -13.465 800 HA GLU 106 HA GLU 106 -7.110 -0.761 -12.193 801 HB2 GLU 106 HB2 GLU 106 -7.612 -1.795 -14.333 802 HB3 GLU 106 HB3 GLU 106 -7.239 -0.092 -14.559 803 HG2 GLU 106 HG2 GLU 106 -5.264 -0.523 -15.636 804 HG3 GLU 106 HG3 GLU 106 -5.061 -2.096 -14.867 805 H ASP 107 H ASP 107 -3.871 -1.726 -13.044 806 HA ASP 107 HA ASP 107 -4.321 -4.531 -12.606 807 HB2 ASP 107 HB2 ASP 107 -2.005 -2.807 -13.294 808 HB3 ASP 107 HB3 ASP 107 -1.642 -4.323 -12.475 809 H LEU 108 H LEU 108 -2.926 -1.849 -10.774 810 HA LEU 108 HA LEU 108 -2.001 -3.346 -8.581 811 HB2 LEU 108 HB2 LEU 108 -2.711 -0.478 -9.023 812 HB3 LEU 108 HB3 LEU 108 -2.416 -1.038 -7.388 813 HG LEU 108 HG LEU 108 -0.439 -1.340 -9.647 814 HD11 LEU 108 HD11 LEU 108 -0.126 0.611 -7.412 815 HD12 LEU 108 HD12 LEU 108 -1.084 1.047 -8.827 816 HD13 LEU 108 HD13 LEU 108 0.614 0.605 -9.013 817 HD21 LEU 108 HD21 LEU 108 0.226 -2.910 -8.125 818 HD22 LEU 108 HD22 LEU 108 -0.467 -2.039 -6.757 819 HD23 LEU 108 HD23 LEU 108 1.048 -1.491 -7.475 820 H ILE 109 H ILE 109 -5.144 -1.952 -9.319 821 HA ILE 109 HA ILE 109 -6.286 -2.377 -6.749 822 HB ILE 109 HB ILE 109 -7.851 -2.259 -9.320 823 HG12 ILE 109 HG12 ILE 109 -6.673 0.039 -7.741 824 HG13 ILE 109 HG13 ILE 109 -6.278 -0.408 -9.395 825 HG21 ILE 109 HG21 ILE 109 -8.545 -2.399 -6.587 826 HG22 ILE 109 HG22 ILE 109 -9.612 -2.197 -7.976 827 HG23 ILE 109 HG23 ILE 109 -8.963 -0.779 -7.149 828 HD11 ILE 109 HD11 ILE 109 -7.797 1.566 -9.125 829 HD12 ILE 109 HD12 ILE 109 -9.027 0.442 -8.547 830 HD13 ILE 109 HD13 ILE 109 -8.391 0.288 -10.185 831 H LYS 110 H LYS 110 -6.714 -4.110 -9.838 832 HA LYS 110 HA LYS 110 -8.269 -6.206 -8.868 833 HB2 LYS 110 HB2 LYS 110 -6.853 -5.576 -11.293 834 HB3 LYS 110 HB3 LYS 110 -6.623 -7.274 -10.900 835 HG2 LYS 110 HG2 LYS 110 -9.316 -5.941 -11.026 836 HG3 LYS 110 HG3 LYS 110 -8.568 -6.786 -12.383 837 HD2 LYS 110 HD2 LYS 110 -8.332 -8.645 -10.423 838 HD3 LYS 110 HD3 LYS 110 -9.837 -7.852 -9.952 839 HE2 LYS 110 HE2 LYS 110 -9.331 -8.796 -12.759 840 HE3 LYS 110 HE3 LYS 110 -10.012 -9.853 -11.523 841 HZ1 LYS 110 HZ1 LYS 110 -11.708 -8.759 -12.901 842 HZ2 LYS 110 HZ2 LYS 110 -11.183 -7.251 -12.345 843 HZ3 LYS 110 HZ3 LYS 110 -11.858 -8.362 -11.263 844 H PHE 111 H PHE 111 -4.891 -5.585 -8.514 845 HA PHE 111 HA PHE 111 -4.072 -8.255 -7.938 846 HB2 PHE 111 HB2 PHE 111 -2.758 -5.898 -8.429 847 HB3 PHE 111 HB3 PHE 111 -2.512 -6.092 -6.697 848 HD1 PHE 111 HD1 PHE 111 -2.682 -8.626 -9.420 849 HD2 PHE 111 HD2 PHE 111 -0.322 -6.754 -6.415 850 HE1 PHE 111 HE1 PHE 111 -0.862 -10.221 -9.862 851 HE2 PHE 111 HE2 PHE 111 1.503 -8.345 -6.851 852 HZ PHE 111 HZ PHE 111 1.235 -10.081 -8.577 853 H ILE 112 H ILE 112 -4.901 -5.445 -5.936 854 HA ILE 112 HA ILE 112 -4.417 -6.493 -3.423 855 HB ILE 112 HB ILE 112 -6.697 -4.661 -4.182 856 HG12 ILE 112 HG12 ILE 112 -4.211 -3.583 -3.001 857 HG13 ILE 112 HG13 ILE 112 -4.074 -4.172 -4.654 858 HG21 ILE 112 HG21 ILE 112 -6.848 -5.680 -1.922 859 HG22 ILE 112 HG22 ILE 112 -6.674 -3.926 -1.895 860 HG23 ILE 112 HG23 ILE 112 -5.288 -4.955 -1.534 861 HD11 ILE 112 HD11 ILE 112 -4.732 -2.116 -5.210 862 HD12 ILE 112 HD12 ILE 112 -5.391 -1.788 -3.607 863 HD13 ILE 112 HD13 ILE 112 -6.346 -2.685 -4.786 864 H ALA 113 H ALA 113 -7.326 -6.784 -5.429 865 HA ALA 113 HA ALA 113 -8.718 -8.357 -3.461 866 HB1 ALA 113 HB1 ALA 113 -10.052 -8.718 -5.854 867 HB2 ALA 113 HB2 ALA 113 -9.342 -7.110 -6.005 868 HB3 ALA 113 HB3 ALA 113 -10.394 -7.486 -4.639 869 H GLU 114 H GLU 114 -6.467 -9.007 -5.968 870 HA GLU 114 HA GLU 114 -7.286 -11.710 -6.466 871 HB2 GLU 114 HB2 GLU 114 -5.105 -9.923 -7.355 872 HB3 GLU 114 HB3 GLU 114 -4.734 -11.641 -7.360 873 HG2 GLU 114 HG2 GLU 114 -7.288 -11.327 -8.526 874 HG3 GLU 114 HG3 GLU 114 -6.221 -10.123 -9.248 875 H ASN 115 H ASN 115 -4.524 -10.242 -4.750 876 HA ASN 115 HA ASN 115 -3.890 -12.829 -3.563 877 HB2 ASN 115 HB2 ASN 115 -2.356 -10.402 -2.797 878 HB3 ASN 115 HB3 ASN 115 -1.786 -12.029 -3.152 879 HD21 ASN 115 HD21 ASN 115 -2.408 -8.899 -4.374 880 HD22 ASN 115 HD22 ASN 115 -1.849 -9.169 -5.986 881 H GLY 116 H GLY 116 -5.149 -9.682 -2.665 882 HA2 GLY 116 HA2 GLY 116 -4.927 -9.872 0.116 883 HA3 GLY 116 HA3 GLY 116 -6.148 -8.939 -0.736 884 H LYS 117 H LYS 117 -5.676 -11.383 1.424 885 HA LYS 117 HA LYS 117 -7.558 -13.327 0.783 886 HB2 LYS 117 HB2 LYS 117 -5.921 -13.432 2.669 887 HB3 LYS 117 HB3 LYS 117 -6.934 -12.302 3.556 888 HG2 LYS 117 HG2 LYS 117 -7.534 -14.382 4.399 889 HG3 LYS 117 HG3 LYS 117 -8.807 -14.016 3.233 890 HD2 LYS 117 HD2 LYS 117 -8.372 -16.078 2.450 891 HD3 LYS 117 HD3 LYS 117 -7.000 -15.299 1.660 892 HE2 LYS 117 HE2 LYS 117 -6.515 -16.113 4.437 893 HE3 LYS 117 HE3 LYS 117 -6.830 -17.446 3.327 894 HZ1 LYS 117 HZ1 LYS 117 -4.702 -15.391 3.115 895 HZ2 LYS 117 HZ2 LYS 117 -5.086 -16.460 1.862 896 HZ3 LYS 117 HZ3 LYS 117 -4.509 -17.058 3.335 897 H TYR 118 H TYR 118 -7.972 -10.224 2.423 898 HA TYR 118 HA TYR 118 -10.738 -10.595 2.991 899 HB2 TYR 118 HB2 TYR 118 -8.734 -8.603 3.487 900 HB3 TYR 118 HB3 TYR 118 -10.170 -7.821 2.835 901 HD1 TYR 118 HD2 TYR 118 -9.818 -10.770 5.096 902 HD2 TYR 118 HD1 TYR 118 -11.236 -6.788 4.616 903 HE1 TYR 118 HE2 TYR 118 -10.880 -10.888 7.310 904 HE2 TYR 118 HE1 TYR 118 -12.301 -6.894 6.830 905 HH TYR 118 HH TYR 118 -13.112 -8.541 8.406 906 H LYS 119 H LYS 119 -8.987 -9.703 0.178 907 HA LYS 119 HA LYS 119 -9.642 -9.238 -1.946 908 HB2 LYS 119 HB2 LYS 119 -11.779 -10.707 -0.862 909 HB3 LYS 119 HB3 LYS 119 -12.518 -9.336 -1.678 910 HG2 LYS 119 HG2 LYS 119 -11.949 -10.074 -3.728 911 HG3 LYS 119 HG3 LYS 119 -10.407 -10.736 -3.180 912 HD2 LYS 119 HD2 LYS 119 -12.147 -12.384 -1.916 913 HD3 LYS 119 HD3 LYS 119 -13.054 -12.009 -3.383 914 HE2 LYS 119 HE2 LYS 119 -11.128 -12.696 -4.737 915 HE3 LYS 119 HE3 LYS 119 -10.238 -13.086 -3.266 916 HZ1 LYS 119 HZ1 LYS 119 -11.388 -14.983 -2.969 917 HZ2 LYS 119 HZ2 LYS 119 -11.648 -14.867 -4.636 918 HZ3 LYS 119 HZ3 LYS 119 -12.841 -14.346 -3.556 919 H ALA 120 H ALA 120 -8.957 -7.080 -0.756 920 HA ALA 120 HA ALA 120 -10.965 -5.117 -0.343 921 HB1 ALA 120 HB1 ALA 120 -8.028 -5.195 -0.395 922 HB2 ALA 120 HB2 ALA 120 -9.125 -4.395 0.729 923 HB3 ALA 120 HB3 ALA 120 -8.748 -3.642 -0.820 924 H ALA 121 H ALA 121 -12.088 -5.748 -2.443 925 HA ALA 121 HA ALA 121 -11.931 -3.643 -4.264 926 HB1 ALA 121 HB1 ALA 121 -11.101 -5.938 -5.869 927 HB2 ALA 121 HB2 ALA 121 -9.866 -5.376 -4.743 928 HB3 ALA 121 HB3 ALA 121 -10.558 -4.261 -5.921 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -16.769 27.423 8.460 2 H2 GLY 1 2H GLY 1 -15.841 27.606 9.862 3 H3 GLY 1 3H GLY 1 -16.178 26.059 9.268 4 HA2 GLY 1 HA3 GLY 1 -14.797 27.920 7.487 5 HA3 GLY 1 HA2 GLY 1 -13.879 27.242 8.823 6 HA PRO 2 HA PRO 2 -14.027 24.390 4.986 7 HB2 PRO 2 HB2 PRO 2 -11.266 24.229 4.820 8 HB3 PRO 2 HB3 PRO 2 -12.281 25.284 3.834 9 HG2 PRO 2 HG2 PRO 2 -10.711 25.920 6.292 10 HG3 PRO 2 HG3 PRO 2 -10.959 26.895 4.833 11 HD2 PRO 2 HD2 PRO 2 -12.290 27.400 7.111 12 HD3 PRO 2 HD3 PRO 2 -13.049 27.618 5.520 13 H LEU 3 H LEU 3 -11.145 24.170 7.060 14 HA LEU 3 HA LEU 3 -10.347 22.509 8.391 15 HB2 LEU 3 HB2 LEU 3 -13.304 22.263 8.766 16 HB3 LEU 3 HB3 LEU 3 -12.245 21.055 9.469 17 HG LEU 3 HG LEU 3 -12.886 22.856 11.050 18 HD11 LEU 3 HD11 LEU 3 -10.095 22.174 10.344 19 HD12 LEU 3 HD12 LEU 3 -10.991 21.898 11.838 20 HD13 LEU 3 HD13 LEU 3 -10.335 23.497 11.486 21 HD21 LEU 3 HD21 LEU 3 -12.630 24.570 9.024 22 HD22 LEU 3 HD22 LEU 3 -11.027 24.749 9.738 23 HD23 LEU 3 HD23 LEU 3 -12.466 25.058 10.710 24 H GLY 4 H GLY 4 -10.205 20.094 8.643 25 HA2 GLY 4 HA2 GLY 4 -10.979 17.955 7.582 26 HA3 GLY 4 HA3 GLY 4 -10.817 18.806 6.053 27 H SER 5 H SER 5 -8.466 20.012 6.109 28 HA SER 5 HA SER 5 -6.217 19.742 5.903 29 HB2 SER 5 HB2 SER 5 -6.242 17.435 7.819 30 HB3 SER 5 HB3 SER 5 -5.035 18.704 7.618 31 HG SER 5 HG SER 5 -6.751 18.683 9.466 32 H GLU 6 H GLU 6 -8.343 17.863 4.594 33 HA GLU 6 HA GLU 6 -8.390 16.090 3.161 34 HB2 GLU 6 HB2 GLU 6 -6.444 17.851 2.366 35 HB3 GLU 6 HB3 GLU 6 -5.567 16.328 2.393 36 HG2 GLU 6 HG2 GLU 6 -6.351 16.403 0.235 37 HG3 GLU 6 HG3 GLU 6 -7.577 15.425 1.040 38 H GLY 7 H GLY 7 -6.620 14.222 2.303 39 HA2 GLY 7 HA2 GLY 7 -4.809 12.901 3.640 40 HA3 GLY 7 HA3 GLY 7 -6.143 12.701 4.766 41 HA PRO 8 HA PRO 8 -7.423 10.190 0.904 42 HB2 PRO 8 HB2 PRO 8 -5.831 10.098 -1.250 43 HB3 PRO 8 HB3 PRO 8 -6.939 11.449 -0.975 44 HG2 PRO 8 HG2 PRO 8 -3.993 11.284 -0.484 45 HG3 PRO 8 HG3 PRO 8 -4.940 12.615 -1.171 46 HD2 PRO 8 HD2 PRO 8 -4.099 12.503 1.447 47 HD3 PRO 8 HD3 PRO 8 -5.505 13.430 0.888 48 H VAL 9 H VAL 9 -3.868 10.172 1.160 49 HA VAL 9 HA VAL 9 -3.900 7.243 1.170 50 HB VAL 9 HB VAL 9 -1.485 9.052 1.102 51 HG11 VAL 9 HG11 VAL 9 -0.499 6.946 0.044 52 HG12 VAL 9 HG12 VAL 9 -1.920 6.112 0.672 53 HG13 VAL 9 HG13 VAL 9 -0.806 6.914 1.780 54 HG21 VAL 9 HG21 VAL 9 -1.476 8.386 -1.365 55 HG22 VAL 9 HG22 VAL 9 -2.643 9.609 -0.861 56 HG23 VAL 9 HG23 VAL 9 -3.167 7.946 -1.127 57 H THR 10 H THR 10 -2.584 6.089 2.739 58 HA THR 10 HA THR 10 -2.878 7.250 5.391 59 HB THR 10 HB THR 10 -2.107 4.459 4.515 60 HG1 THR 10 HG1 THR 10 -4.528 5.621 5.391 61 HG21 THR 10 HG21 THR 10 -1.204 4.856 6.716 62 HG22 THR 10 HG22 THR 10 -2.603 3.786 6.819 63 HG23 THR 10 HG23 THR 10 -2.756 5.485 7.267 64 H VAL 11 H VAL 11 -1.219 7.583 6.835 65 HA VAL 11 HA VAL 11 1.452 7.746 5.641 66 HB VAL 11 HB VAL 11 0.433 8.975 8.207 67 HG11 VAL 11 HG11 VAL 11 2.486 10.363 8.033 68 HG12 VAL 11 HG12 VAL 11 3.017 9.340 6.698 69 HG13 VAL 11 HG13 VAL 11 2.812 8.651 8.310 70 HG21 VAL 11 HG21 VAL 11 1.115 10.632 5.850 71 HG22 VAL 11 HG22 VAL 11 -0.119 10.871 7.088 72 HG23 VAL 11 HG23 VAL 11 -0.392 9.719 5.781 73 H VAL 12 H VAL 12 2.908 6.245 6.104 74 HA VAL 12 HA VAL 12 2.663 4.783 8.651 75 HB VAL 12 HB VAL 12 3.561 3.805 5.945 76 HG11 VAL 12 HG11 VAL 12 5.249 2.935 7.335 77 HG12 VAL 12 HG12 VAL 12 4.068 1.635 7.181 78 HG13 VAL 12 HG13 VAL 12 4.117 2.613 8.648 79 HG21 VAL 12 HG21 VAL 12 1.692 2.410 7.812 80 HG22 VAL 12 HG22 VAL 12 1.779 2.340 6.052 81 HG23 VAL 12 HG23 VAL 12 1.120 3.770 6.846 82 H VAL 13 H VAL 13 4.582 4.226 9.737 83 HA VAL 13 HA VAL 13 7.122 5.248 8.809 84 HB VAL 13 HB VAL 13 7.399 6.482 11.076 85 HG11 VAL 13 HG11 VAL 13 6.699 8.573 10.078 86 HG12 VAL 13 HG12 VAL 13 5.698 7.708 8.912 87 HG13 VAL 13 HG13 VAL 13 7.454 7.545 8.860 88 HG21 VAL 13 HG21 VAL 13 5.549 7.212 12.219 89 HG22 VAL 13 HG22 VAL 13 5.005 5.616 11.703 90 HG23 VAL 13 HG23 VAL 13 4.486 7.052 10.820 91 H ALA 14 H ALA 14 8.875 4.762 10.428 92 HA ALA 14 HA ALA 14 8.872 2.094 11.160 93 HB1 ALA 14 HB1 ALA 14 11.004 2.842 11.130 94 HB2 ALA 14 HB2 ALA 14 10.721 3.050 12.858 95 HB3 ALA 14 HB3 ALA 14 10.572 4.428 11.767 96 H LYS 15 H LYS 15 7.522 4.802 12.817 97 HA LYS 15 HA LYS 15 7.466 3.644 15.426 98 HB2 LYS 15 HB2 LYS 15 5.991 5.964 14.183 99 HB3 LYS 15 HB3 LYS 15 5.803 5.497 15.868 100 HG2 LYS 15 HG2 LYS 15 8.500 6.098 14.714 101 HG3 LYS 15 HG3 LYS 15 7.440 7.381 15.303 102 HD2 LYS 15 HD2 LYS 15 7.681 6.767 17.481 103 HD3 LYS 15 HD3 LYS 15 7.861 5.055 17.090 104 HE2 LYS 15 HE2 LYS 15 9.966 7.141 16.545 105 HE3 LYS 15 HE3 LYS 15 9.923 6.142 17.997 106 HZ1 LYS 15 HZ1 LYS 15 10.001 4.175 16.504 107 HZ2 LYS 15 HZ2 LYS 15 11.394 5.133 16.449 108 HZ3 LYS 15 HZ3 LYS 15 10.259 5.219 15.198 109 H ASN 16 H ASN 16 5.208 3.776 12.711 110 HA ASN 16 HA ASN 16 3.481 1.892 14.177 111 HB2 ASN 16 HB2 ASN 16 1.675 2.979 12.539 112 HB3 ASN 16 HB3 ASN 16 2.026 3.649 14.128 113 HD21 ASN 16 HD21 ASN 16 2.630 3.970 10.692 114 HD22 ASN 16 HD22 ASN 16 3.094 5.634 10.734 115 H TYR 17 H TYR 17 5.680 1.553 12.121 116 HA TYR 17 HA TYR 17 4.431 0.677 9.713 117 HB2 TYR 17 HB2 TYR 17 6.836 1.353 9.897 118 HB3 TYR 17 HB3 TYR 17 7.133 -0.125 10.808 119 HD1 TYR 17 HD2 TYR 17 6.362 -2.347 9.590 120 HD2 TYR 17 HD1 TYR 17 7.180 1.331 7.610 121 HE1 TYR 17 HE2 TYR 17 6.728 -3.565 7.490 122 HE2 TYR 17 HE1 TYR 17 7.547 0.119 5.503 123 HH TYR 17 HH TYR 17 8.278 -2.768 5.145 124 H ASN 18 H ASN 18 5.599 -0.933 12.627 125 HA ASN 18 HA ASN 18 4.998 -3.567 11.744 126 HB2 ASN 18 HB2 ASN 18 5.176 -2.706 14.619 127 HB3 ASN 18 HB3 ASN 18 5.575 -4.274 13.925 128 HD21 ASN 18 HD21 ASN 18 7.653 -4.662 13.776 129 HD22 ASN 18 HD22 ASN 18 8.903 -3.487 13.568 130 H GLU 19 H GLU 19 3.374 -1.442 14.110 131 HA GLU 19 HA GLU 19 1.249 -3.086 14.732 132 HB2 GLU 19 HB2 GLU 19 1.803 -0.215 14.877 133 HB3 GLU 19 HB3 GLU 19 0.090 -0.588 14.745 134 HG2 GLU 19 HG2 GLU 19 1.681 -2.126 16.714 135 HG3 GLU 19 HG3 GLU 19 1.338 -0.434 17.073 136 H ILE 20 H ILE 20 1.658 -1.012 11.929 137 HA ILE 20 HA ILE 20 -1.026 -1.313 10.986 138 HB ILE 20 HB ILE 20 1.477 -0.335 9.615 139 HG12 ILE 20 HG12 ILE 20 0.474 1.027 11.480 140 HG13 ILE 20 HG13 ILE 20 0.554 1.856 9.929 141 HG21 ILE 20 HG21 ILE 20 -1.200 -0.919 8.524 142 HG22 ILE 20 HG22 ILE 20 0.367 -0.850 7.717 143 HG23 ILE 20 HG23 ILE 20 -0.506 0.640 8.077 144 HD11 ILE 20 HD11 ILE 20 -1.608 2.277 10.059 145 HD12 ILE 20 HD12 ILE 20 -1.690 1.416 11.596 146 HD13 ILE 20 HD13 ILE 20 -1.950 0.547 10.083 147 H VAL 21 H VAL 21 1.878 -2.240 9.170 148 HA VAL 21 HA VAL 21 0.781 -4.058 7.476 149 HB VAL 21 HB VAL 21 3.492 -4.371 8.772 150 HG11 VAL 21 HG11 VAL 21 2.618 -5.234 6.024 151 HG12 VAL 21 HG12 VAL 21 2.622 -6.306 7.425 152 HG13 VAL 21 HG13 VAL 21 4.134 -5.604 6.847 153 HG21 VAL 21 HG21 VAL 21 4.207 -3.120 6.651 154 HG22 VAL 21 HG22 VAL 21 3.470 -2.181 7.950 155 HG23 VAL 21 HG23 VAL 21 2.517 -2.625 6.533 156 H LEU 22 H LEU 22 1.532 -4.542 10.848 157 HA LEU 22 HA LEU 22 1.358 -7.366 10.903 158 HB2 LEU 22 HB2 LEU 22 1.173 -5.196 12.950 159 HB3 LEU 22 HB3 LEU 22 0.745 -6.828 13.395 160 HG LEU 22 HG LEU 22 3.416 -6.066 12.225 161 HD11 LEU 22 HD11 LEU 22 2.386 -5.986 14.988 162 HD12 LEU 22 HD12 LEU 22 3.688 -5.068 14.231 163 HD13 LEU 22 HD13 LEU 22 3.971 -6.726 14.764 164 HD21 LEU 22 HD21 LEU 22 2.278 -8.505 12.262 165 HD22 LEU 22 HD22 LEU 22 3.048 -8.498 13.848 166 HD23 LEU 22 HD23 LEU 22 4.015 -8.233 12.397 167 H ASP 23 H ASP 23 -1.030 -4.801 11.484 168 HA ASP 23 HA ASP 23 -3.173 -6.207 12.414 169 HB2 ASP 23 HB2 ASP 23 -2.799 -3.672 11.440 170 HB3 ASP 23 HB3 ASP 23 -3.922 -4.349 10.265 171 H ASP 24 H ASP 24 -3.392 -8.282 11.670 172 HA ASP 24 HA ASP 24 -3.641 -8.828 8.841 173 HB2 ASP 24 HB2 ASP 24 -3.324 -10.402 11.306 174 HB3 ASP 24 HB3 ASP 24 -4.352 -11.155 10.090 175 H THR 25 H THR 25 -5.742 -7.818 11.277 176 HA THR 25 HA THR 25 -8.079 -9.253 10.533 177 HB THR 25 HB THR 25 -8.045 -8.293 12.704 178 HG1 THR 25 HG1 THR 25 -10.078 -7.969 12.318 179 HG21 THR 25 HG21 THR 25 -8.054 -5.782 12.986 180 HG22 THR 25 HG22 THR 25 -7.415 -5.698 11.345 181 HG23 THR 25 HG23 THR 25 -6.504 -6.531 12.604 182 H LYS 26 H LYS 26 -6.366 -6.806 8.966 183 HA LYS 26 HA LYS 26 -8.608 -6.380 7.140 184 HB2 LYS 26 HB2 LYS 26 -7.811 -3.914 7.018 185 HB3 LYS 26 HB3 LYS 26 -8.859 -4.405 8.341 186 HG2 LYS 26 HG2 LYS 26 -7.102 -4.380 9.889 187 HG3 LYS 26 HG3 LYS 26 -5.874 -4.363 8.622 188 HD2 LYS 26 HD2 LYS 26 -5.969 -2.132 8.405 189 HD3 LYS 26 HD3 LYS 26 -7.731 -2.109 8.488 190 HE2 LYS 26 HE2 LYS 26 -7.317 -2.633 11.018 191 HE3 LYS 26 HE3 LYS 26 -5.722 -1.959 10.690 192 HZ1 LYS 26 HZ1 LYS 26 -7.651 -0.431 11.472 193 HZ2 LYS 26 HZ2 LYS 26 -8.109 -0.470 9.844 194 HZ3 LYS 26 HZ3 LYS 26 -6.580 0.110 10.278 195 H ASP 27 H ASP 27 -7.836 -5.231 5.108 196 HA ASP 27 HA ASP 27 -5.471 -6.592 4.170 197 HB2 ASP 27 HB2 ASP 27 -7.812 -5.348 2.984 198 HB3 ASP 27 HB3 ASP 27 -6.338 -4.864 2.150 199 H VAL 28 H VAL 28 -3.500 -5.729 3.800 200 HA VAL 28 HA VAL 28 -3.194 -2.836 4.282 201 HB VAL 28 HB VAL 28 -1.246 -5.046 4.954 202 HG11 VAL 28 HG11 VAL 28 -0.221 -2.915 6.184 203 HG12 VAL 28 HG12 VAL 28 -0.968 -2.100 4.811 204 HG13 VAL 28 HG13 VAL 28 0.228 -3.367 4.539 205 HG21 VAL 28 HG21 VAL 28 -3.004 -5.035 6.551 206 HG22 VAL 28 HG22 VAL 28 -2.990 -3.274 6.648 207 HG23 VAL 28 HG23 VAL 28 -1.636 -4.203 7.292 208 H LEU 29 H LEU 29 -1.953 -1.659 2.922 209 HA LEU 29 HA LEU 29 -0.537 -3.043 0.758 210 HB2 LEU 29 HB2 LEU 29 -2.994 -1.740 0.430 211 HB3 LEU 29 HB3 LEU 29 -1.801 -0.620 -0.195 212 HG LEU 29 HG LEU 29 -2.448 -3.391 -1.159 213 HD11 LEU 29 HD11 LEU 29 -3.771 -1.815 -2.246 214 HD12 LEU 29 HD12 LEU 29 -2.420 -2.061 -3.352 215 HD13 LEU 29 HD13 LEU 29 -2.467 -0.630 -2.322 216 HD21 LEU 29 HD21 LEU 29 0.148 -2.077 -1.157 217 HD22 LEU 29 HD22 LEU 29 -0.411 -2.482 -2.780 218 HD23 LEU 29 HD23 LEU 29 -0.279 -3.741 -1.553 219 H ILE 30 H ILE 30 1.476 -2.489 1.453 220 HA ILE 30 HA ILE 30 2.037 0.362 1.905 221 HB ILE 30 HB ILE 30 2.678 -1.098 3.752 222 HG12 ILE 30 HG12 ILE 30 5.310 -0.405 2.528 223 HG13 ILE 30 HG13 ILE 30 4.150 0.894 2.782 224 HG21 ILE 30 HG21 ILE 30 4.384 -2.501 1.703 225 HG22 ILE 30 HG22 ILE 30 3.008 -3.172 2.580 226 HG23 ILE 30 HG23 ILE 30 4.489 -2.758 3.445 227 HD11 ILE 30 HD11 ILE 30 5.028 -0.987 4.953 228 HD12 ILE 30 HD12 ILE 30 4.118 0.515 5.122 229 HD13 ILE 30 HD13 ILE 30 5.808 0.558 4.619 230 H GLU 31 H GLU 31 3.375 1.472 0.589 231 HA GLU 31 HA GLU 31 4.816 -0.041 -1.492 232 HB2 GLU 31 HB2 GLU 31 2.702 1.267 -2.209 233 HB3 GLU 31 HB3 GLU 31 3.686 2.703 -1.972 234 HG2 GLU 31 HG2 GLU 31 4.328 0.429 -3.836 235 HG3 GLU 31 HG3 GLU 31 3.646 1.986 -4.305 236 H PHE 32 H PHE 32 6.938 0.277 -1.447 237 HA PHE 32 HA PHE 32 7.989 2.565 0.039 238 HB2 PHE 32 HB2 PHE 32 9.680 0.349 -1.080 239 HB3 PHE 32 HB3 PHE 32 9.992 1.381 0.309 240 HD1 PHE 32 HD1 PHE 32 7.842 -1.385 -0.903 241 HD2 PHE 32 HD2 PHE 32 9.382 0.717 2.460 242 HE1 PHE 32 HE1 PHE 32 6.936 -3.117 0.588 243 HE2 PHE 32 HE2 PHE 32 8.480 -1.012 3.958 244 HZ PHE 32 HZ PHE 32 7.254 -2.933 3.022 245 H TYR 33 H TYR 33 9.359 4.079 -0.833 246 HA TYR 33 HA TYR 33 10.300 3.862 -3.548 247 HB2 TYR 33 HB2 TYR 33 9.123 5.823 -4.400 248 HB3 TYR 33 HB3 TYR 33 7.968 4.592 -3.895 249 HD1 TYR 33 HD1 TYR 33 6.979 4.847 -1.511 250 HD2 TYR 33 HD2 TYR 33 8.905 8.003 -3.615 251 HE1 TYR 33 HE1 TYR 33 5.859 6.489 -0.063 252 HE2 TYR 33 HE2 TYR 33 7.788 9.653 -2.175 253 HH TYR 33 HH TYR 33 5.427 9.525 -0.716 254 H ALA 34 H ALA 34 11.515 5.855 -4.200 255 HA ALA 34 HA ALA 34 12.778 7.045 -1.820 256 HB1 ALA 34 HB1 ALA 34 13.973 5.599 -3.794 257 HB2 ALA 34 HB2 ALA 34 14.797 6.760 -2.753 258 HB3 ALA 34 HB3 ALA 34 14.237 7.251 -4.352 259 HA PRO 35 HA PRO 35 11.183 10.980 -3.111 260 HB2 PRO 35 HB2 PRO 35 12.928 12.597 -1.784 261 HB3 PRO 35 HB3 PRO 35 11.597 11.747 -0.992 262 HG2 PRO 35 HG2 PRO 35 14.494 11.014 -1.135 263 HG3 PRO 35 HG3 PRO 35 13.385 10.929 0.245 264 HD2 PRO 35 HD2 PRO 35 14.049 8.753 -1.212 265 HD3 PRO 35 HD3 PRO 35 12.447 8.945 -0.470 266 H TRP 36 H TRP 36 14.283 9.812 -3.900 267 HA TRP 36 HA TRP 36 14.821 12.110 -5.649 268 HB2 TRP 36 HB2 TRP 36 17.104 10.838 -5.877 269 HB3 TRP 36 HB3 TRP 36 16.774 11.804 -4.444 270 HD1 TRP 36 HD1 TRP 36 16.045 10.391 -2.193 271 HE1 TRP 36 HE1 TRP 36 16.751 8.036 -1.434 272 HE3 TRP 36 HE3 TRP 36 17.747 8.578 -6.660 273 HZ2 TRP 36 HZ2 TRP 36 17.885 5.717 -2.578 274 HZ3 TRP 36 HZ3 TRP 36 18.628 6.282 -6.742 275 HH2 TRP 36 HH2 TRP 36 18.696 4.883 -4.742 276 H CYS 37 H CYS 37 13.966 8.768 -5.618 277 HA CYS 37 HA CYS 37 14.732 8.228 -8.333 278 HB2 CYS 37 HB2 CYS 37 14.447 6.541 -6.394 279 HB3 CYS 37 HB3 CYS 37 12.727 6.626 -6.762 280 HG CYS 37 HG CYS 37 13.440 5.783 -9.232 281 H GLY 38 H GLY 38 13.700 9.049 -10.028 282 HA2 GLY 38 HA2 GLY 38 11.281 10.418 -9.971 283 HA3 GLY 38 HA3 GLY 38 12.011 9.744 -11.419 284 H HIS 39 H HIS 39 11.834 7.008 -10.081 285 HA HIS 39 HA HIS 39 9.537 6.096 -11.346 286 HB2 HIS 39 HB2 HIS 39 11.534 4.998 -9.524 287 HB3 HIS 39 HB3 HIS 39 9.948 4.266 -9.304 288 HD1 HIS 39 HD1 HIS 39 12.636 3.013 -10.646 289 HD2 HIS 39 HD2 HIS 39 9.162 4.250 -12.561 290 HE1 HIS 39 HE1 HIS 39 12.583 1.754 -12.823 291 HE2 HIS 39 HE2 HIS 39 10.427 2.453 -13.924 292 H CYS 40 H CYS 40 9.942 7.468 -8.170 293 HA CYS 40 HA CYS 40 7.507 6.546 -7.048 294 HB2 CYS 40 HB2 CYS 40 7.881 8.160 -5.303 295 HB3 CYS 40 HB3 CYS 40 9.432 7.448 -5.732 296 HG CYS 40 HG CYS 40 8.607 10.315 -6.626 297 H LYS 41 H LYS 41 8.374 9.322 -9.008 298 HA LYS 41 HA LYS 41 6.031 10.832 -8.643 299 HB2 LYS 41 HB2 LYS 41 7.801 10.702 -11.091 300 HB3 LYS 41 HB3 LYS 41 6.666 11.987 -10.702 301 HG2 LYS 41 HG2 LYS 41 8.608 11.468 -8.586 302 HG3 LYS 41 HG3 LYS 41 9.334 11.980 -10.111 303 HD2 LYS 41 HD2 LYS 41 8.933 14.020 -9.148 304 HD3 LYS 41 HD3 LYS 41 7.420 13.789 -10.027 305 HE2 LYS 41 HE2 LYS 41 6.559 14.341 -7.997 306 HE3 LYS 41 HE3 LYS 41 6.732 12.604 -7.751 307 HZ1 LYS 41 HZ1 LYS 41 8.387 12.890 -6.273 308 HZ2 LYS 41 HZ2 LYS 41 7.704 14.425 -6.081 309 HZ3 LYS 41 HZ3 LYS 41 9.052 14.219 -7.082 310 H ALA 42 H ALA 42 6.853 8.273 -10.935 311 HA ALA 42 HA ALA 42 4.466 8.475 -12.463 312 HB1 ALA 42 HB1 ALA 42 6.615 7.403 -13.207 313 HB2 ALA 42 HB2 ALA 42 5.154 6.471 -13.535 314 HB3 ALA 42 HB3 ALA 42 6.197 6.029 -12.183 315 H LEU 43 H LEU 43 5.347 6.765 -9.547 316 HA LEU 43 HA LEU 43 2.788 5.339 -9.540 317 HB2 LEU 43 HB2 LEU 43 5.404 4.708 -8.645 318 HB3 LEU 43 HB3 LEU 43 4.377 4.782 -7.227 319 HG LEU 43 HG LEU 43 4.625 2.508 -8.284 320 HD11 LEU 43 HD11 LEU 43 2.841 2.889 -6.748 321 HD12 LEU 43 HD12 LEU 43 2.188 1.995 -8.121 322 HD13 LEU 43 HD13 LEU 43 1.890 3.727 -7.974 323 HD21 LEU 43 HD21 LEU 43 2.576 3.150 -10.289 324 HD22 LEU 43 HD22 LEU 43 3.955 2.055 -10.380 325 HD23 LEU 43 HD23 LEU 43 4.185 3.785 -10.632 326 H ALA 44 H ALA 44 3.848 8.281 -8.598 327 HA ALA 44 HA ALA 44 2.900 8.473 -5.933 328 HB1 ALA 44 HB1 ALA 44 2.773 11.013 -6.727 329 HB2 ALA 44 HB2 ALA 44 3.778 10.372 -8.027 330 HB3 ALA 44 HB3 ALA 44 4.297 10.210 -6.349 331 HA PRO 45 HA PRO 45 -1.086 10.435 -7.787 332 HB2 PRO 45 HB2 PRO 45 -1.449 10.348 -10.473 333 HB3 PRO 45 HB3 PRO 45 -0.609 11.674 -9.661 334 HG2 PRO 45 HG2 PRO 45 0.530 9.305 -11.094 335 HG3 PRO 45 HG3 PRO 45 1.040 11.002 -11.158 336 HD2 PRO 45 HD2 PRO 45 2.325 9.148 -9.660 337 HD3 PRO 45 HD3 PRO 45 2.216 10.855 -9.182 338 H LYS 46 H LYS 46 0.163 7.623 -9.522 339 HA LYS 46 HA LYS 46 -2.352 6.414 -10.016 340 HB2 LYS 46 HB2 LYS 46 0.328 5.043 -9.753 341 HB3 LYS 46 HB3 LYS 46 -1.095 4.426 -10.583 342 HG2 LYS 46 HG2 LYS 46 0.124 7.012 -11.443 343 HG3 LYS 46 HG3 LYS 46 0.842 5.480 -11.945 344 HD2 LYS 46 HD2 LYS 46 -1.028 4.861 -13.174 345 HD3 LYS 46 HD3 LYS 46 -2.092 5.956 -12.290 346 HE2 LYS 46 HE2 LYS 46 0.115 6.872 -14.126 347 HE3 LYS 46 HE3 LYS 46 -1.560 6.663 -14.634 348 HZ1 LYS 46 HZ1 LYS 46 -2.148 8.255 -12.804 349 HZ2 LYS 46 HZ2 LYS 46 -1.293 8.927 -14.100 350 HZ3 LYS 46 HZ3 LYS 46 -0.496 8.586 -12.648 351 H TYR 47 H TYR 47 0.161 5.610 -7.611 352 HA TYR 47 HA TYR 47 -1.445 3.754 -6.212 353 HB2 TYR 47 HB2 TYR 47 1.111 4.027 -6.159 354 HB3 TYR 47 HB3 TYR 47 0.826 5.293 -4.970 355 HD1 TYR 47 HD1 TYR 47 0.275 1.688 -5.656 356 HD2 TYR 47 HD2 TYR 47 0.429 4.757 -2.714 357 HE1 TYR 47 HE1 TYR 47 0.156 -0.013 -3.885 358 HE2 TYR 47 HE2 TYR 47 0.312 3.065 -0.934 359 HH TYR 47 HH TYR 47 -0.445 -0.222 -1.572 360 H GLU 48 H GLU 48 -1.082 7.213 -5.997 361 HA GLU 48 HA GLU 48 -2.259 7.527 -3.429 362 HB2 GLU 48 HB2 GLU 48 -0.850 9.263 -4.420 363 HB3 GLU 48 HB3 GLU 48 -2.015 9.489 -5.717 364 HG2 GLU 48 HG2 GLU 48 -3.139 9.772 -3.032 365 HG3 GLU 48 HG3 GLU 48 -1.897 10.958 -3.432 366 H GLU 49 H GLU 49 -3.531 7.475 -6.717 367 HA GLU 49 HA GLU 49 -6.141 8.353 -6.073 368 HB2 GLU 49 HB2 GLU 49 -4.848 7.960 -8.391 369 HB3 GLU 49 HB3 GLU 49 -5.775 6.466 -8.336 370 HG2 GLU 49 HG2 GLU 49 -7.838 7.766 -8.104 371 HG3 GLU 49 HG3 GLU 49 -6.898 9.255 -8.197 372 H LEU 50 H LEU 50 -5.066 5.057 -6.934 373 HA LEU 50 HA LEU 50 -7.395 3.738 -6.172 374 HB2 LEU 50 HB2 LEU 50 -5.560 2.755 -7.518 375 HB3 LEU 50 HB3 LEU 50 -4.574 2.666 -6.072 376 HG LEU 50 HG LEU 50 -5.707 0.519 -6.825 377 HD11 LEU 50 HD11 LEU 50 -4.971 1.402 -4.368 378 HD12 LEU 50 HD12 LEU 50 -5.519 -0.236 -4.724 379 HD13 LEU 50 HD13 LEU 50 -6.653 0.953 -4.085 380 HD21 LEU 50 HD21 LEU 50 -7.896 1.621 -7.321 381 HD22 LEU 50 HD22 LEU 50 -8.138 1.792 -5.582 382 HD23 LEU 50 HD23 LEU 50 -8.011 0.187 -6.301 383 H GLY 51 H GLY 51 -4.671 4.816 -4.265 384 HA2 GLY 51 HA2 GLY 51 -5.005 3.317 -1.951 385 HA3 GLY 51 HA3 GLY 51 -4.379 4.958 -1.996 386 H ALA 52 H ALA 52 -6.172 6.657 -2.340 387 HA ALA 52 HA ALA 52 -7.918 6.514 -0.124 388 HB1 ALA 52 HB1 ALA 52 -8.873 8.631 -1.068 389 HB2 ALA 52 HB2 ALA 52 -7.780 8.434 -2.439 390 HB3 ALA 52 HB3 ALA 52 -7.128 8.650 -0.815 391 H LEU 53 H LEU 53 -8.244 5.555 -3.429 392 HA LEU 53 HA LEU 53 -10.931 5.741 -3.938 393 HB2 LEU 53 HB2 LEU 53 -8.805 3.820 -4.719 394 HB3 LEU 53 HB3 LEU 53 -10.459 3.344 -5.042 395 HG LEU 53 HG LEU 53 -8.934 5.669 -6.187 396 HD11 LEU 53 HD11 LEU 53 -8.916 4.509 -8.103 397 HD12 LEU 53 HD12 LEU 53 -10.558 3.906 -7.873 398 HD13 LEU 53 HD13 LEU 53 -9.206 3.116 -7.060 399 HD21 LEU 53 HD21 LEU 53 -11.251 5.963 -7.410 400 HD22 LEU 53 HD22 LEU 53 -10.897 6.786 -5.891 401 HD23 LEU 53 HD23 LEU 53 -11.867 5.312 -5.890 402 H TYR 54 H TYR 54 -9.458 2.713 -2.744 403 HA TYR 54 HA TYR 54 -12.031 1.878 -1.691 404 HB2 TYR 54 HB2 TYR 54 -9.336 0.505 -1.649 405 HB3 TYR 54 HB3 TYR 54 -10.844 -0.216 -1.101 406 HD1 TYR 54 HD2 TYR 54 -12.588 0.940 -3.349 407 HD2 TYR 54 HD1 TYR 54 -8.831 -1.055 -3.367 408 HE1 TYR 54 HE2 TYR 54 -13.031 0.139 -5.631 409 HE2 TYR 54 HE1 TYR 54 -9.263 -1.861 -5.648 410 HH TYR 54 HH TYR 54 -11.838 -0.662 -7.565 411 H ALA 55 H ALA 55 -8.961 3.017 -0.467 412 HA ALA 55 HA ALA 55 -9.050 2.302 2.166 413 HB1 ALA 55 HB1 ALA 55 -7.797 4.379 2.647 414 HB2 ALA 55 HB2 ALA 55 -8.158 4.938 1.015 415 HB3 ALA 55 HB3 ALA 55 -7.172 3.495 1.254 416 H LYS 56 H LYS 56 -11.074 4.672 0.557 417 HA LYS 56 HA LYS 56 -12.434 5.095 3.135 418 HB2 LYS 56 HB2 LYS 56 -11.468 7.097 1.164 419 HB3 LYS 56 HB3 LYS 56 -12.988 7.425 1.983 420 HG2 LYS 56 HG2 LYS 56 -10.635 6.621 3.614 421 HG3 LYS 56 HG3 LYS 56 -10.706 8.260 2.963 422 HD2 LYS 56 HD2 LYS 56 -12.827 8.644 4.053 423 HD3 LYS 56 HD3 LYS 56 -12.879 6.970 4.610 424 HE2 LYS 56 HE2 LYS 56 -10.637 8.827 5.349 425 HE3 LYS 56 HE3 LYS 56 -12.130 8.750 6.284 426 HZ1 LYS 56 HZ1 LYS 56 -10.812 6.217 5.704 427 HZ2 LYS 56 HZ2 LYS 56 -11.620 6.721 7.101 428 HZ3 LYS 56 HZ3 LYS 56 -10.036 7.236 6.810 429 H SER 57 H SER 57 -12.802 4.660 -0.341 430 HA SER 57 HA SER 57 -15.616 5.240 -0.283 431 HB2 SER 57 HB2 SER 57 -13.994 5.476 -2.276 432 HB3 SER 57 HB3 SER 57 -14.277 3.752 -2.516 433 HG SER 57 HG SER 57 -16.464 4.179 -2.770 434 H GLU 58 H GLU 58 -13.859 2.185 -0.970 435 HA GLU 58 HA GLU 58 -16.343 0.739 -0.451 436 HB2 GLU 58 HB2 GLU 58 -13.951 0.266 -2.062 437 HB3 GLU 58 HB3 GLU 58 -14.503 -1.160 -1.194 438 HG2 GLU 58 HG2 GLU 58 -16.219 0.530 -2.998 439 HG3 GLU 58 HG3 GLU 58 -15.436 -0.980 -3.463 440 H PHE 59 H PHE 59 -12.914 0.265 0.408 441 HA PHE 59 HA PHE 59 -13.777 -1.247 2.760 442 HB2 PHE 59 HB2 PHE 59 -11.244 -1.103 1.176 443 HB3 PHE 59 HB3 PHE 59 -11.177 -1.639 2.851 444 HD1 PHE 59 HD1 PHE 59 -13.802 -2.259 0.299 445 HD2 PHE 59 HD2 PHE 59 -10.707 -3.908 2.709 446 HE1 PHE 59 HE1 PHE 59 -14.464 -4.521 -0.406 447 HE2 PHE 59 HE2 PHE 59 -11.364 -6.173 2.008 448 HZ PHE 59 HZ PHE 59 -13.244 -6.482 0.449 449 H LYS 60 H LYS 60 -14.181 1.509 2.820 450 HA LYS 60 HA LYS 60 -12.342 3.186 3.859 451 HB2 LYS 60 HB2 LYS 60 -14.206 4.215 5.166 452 HB3 LYS 60 HB3 LYS 60 -14.565 3.919 3.470 453 HG2 LYS 60 HG2 LYS 60 -15.900 2.023 3.995 454 HG3 LYS 60 HG3 LYS 60 -15.394 2.068 5.686 455 HD2 LYS 60 HD2 LYS 60 -17.634 2.993 5.427 456 HD3 LYS 60 HD3 LYS 60 -16.500 4.235 5.960 457 HE2 LYS 60 HE2 LYS 60 -17.934 5.142 4.246 458 HE3 LYS 60 HE3 LYS 60 -16.291 5.000 3.622 459 HZ1 LYS 60 HZ1 LYS 60 -16.879 3.369 2.179 460 HZ2 LYS 60 HZ2 LYS 60 -18.369 4.166 2.263 461 HZ3 LYS 60 HZ3 LYS 60 -18.111 2.759 3.166 462 H ASP 61 H ASP 61 -14.058 0.675 5.675 463 HA ASP 61 HA ASP 61 -12.153 1.100 7.885 464 HB2 ASP 61 HB2 ASP 61 -14.824 1.414 8.103 465 HB3 ASP 61 HB3 ASP 61 -14.700 -0.307 8.452 466 H ARG 62 H ARG 62 -11.797 -0.599 5.536 467 HA ARG 62 HA ARG 62 -11.438 -3.141 6.954 468 HB2 ARG 62 HB2 ARG 62 -12.422 -3.005 4.107 469 HB3 ARG 62 HB3 ARG 62 -12.253 -4.437 5.114 470 HG2 ARG 62 HG2 ARG 62 -14.169 -2.176 5.647 471 HG3 ARG 62 HG3 ARG 62 -14.588 -3.698 4.857 472 HD2 ARG 62 HD2 ARG 62 -14.442 -4.902 6.792 473 HD3 ARG 62 HD3 ARG 62 -13.232 -3.830 7.496 474 HE ARG 62 HE ARG 62 -14.926 -2.674 8.484 475 HH11 ARG 62 HH11 ARG 62 -16.244 -4.427 5.770 476 HH12 ARG 62 HH12 ARG 62 -17.880 -3.972 6.110 477 HH21 ARG 62 HH21 ARG 62 -17.077 -2.074 8.933 478 HH22 ARG 62 HH22 ARG 62 -18.353 -2.635 7.905 479 H VAL 63 H VAL 63 -10.321 -0.880 4.546 480 HA VAL 63 HA VAL 63 -7.888 -2.514 4.243 481 HB VAL 63 HB VAL 63 -9.317 -2.329 2.161 482 HG11 VAL 63 HG11 VAL 63 -8.239 0.479 2.027 483 HG12 VAL 63 HG12 VAL 63 -9.879 0.095 2.548 484 HG13 VAL 63 HG13 VAL 63 -9.357 -0.310 0.913 485 HG21 VAL 63 HG21 VAL 63 -6.662 -2.559 2.453 486 HG22 VAL 63 HG22 VAL 63 -6.724 -1.088 1.483 487 HG23 VAL 63 HG23 VAL 63 -7.466 -2.572 0.884 488 H VAL 64 H VAL 64 -5.904 -1.380 3.946 489 HA VAL 64 HA VAL 64 -5.894 1.466 4.610 490 HB VAL 64 HB VAL 64 -4.176 -0.504 6.122 491 HG11 VAL 64 HG11 VAL 64 -3.247 1.266 7.211 492 HG12 VAL 64 HG12 VAL 64 -4.686 2.271 7.037 493 HG13 VAL 64 HG13 VAL 64 -3.598 2.045 5.668 494 HG21 VAL 64 HG21 VAL 64 -6.593 0.982 7.143 495 HG22 VAL 64 HG22 VAL 64 -5.593 -0.166 8.033 496 HG23 VAL 64 HG23 VAL 64 -6.587 -0.721 6.686 497 H ILE 65 H ILE 65 -4.912 2.222 2.829 498 HA ILE 65 HA ILE 65 -2.488 0.851 1.872 499 HB ILE 65 HB ILE 65 -4.148 2.880 0.376 500 HG12 ILE 65 HG12 ILE 65 -4.177 -0.140 0.182 501 HG13 ILE 65 HG13 ILE 65 -5.470 0.862 0.832 502 HG21 ILE 65 HG21 ILE 65 -2.519 0.982 -1.126 503 HG22 ILE 65 HG22 ILE 65 -1.579 2.052 -0.086 504 HG23 ILE 65 HG23 ILE 65 -2.670 2.731 -1.294 505 HD11 ILE 65 HD11 ILE 65 -5.739 -0.005 -1.536 506 HD12 ILE 65 HD12 ILE 65 -4.495 1.161 -1.986 507 HD13 ILE 65 HD13 ILE 65 -6.011 1.718 -1.277 508 H ALA 66 H ALA 66 -0.722 1.739 2.757 509 HA ALA 66 HA ALA 66 -0.571 4.683 2.865 510 HB1 ALA 66 HB1 ALA 66 1.366 3.741 4.604 511 HB2 ALA 66 HB2 ALA 66 -0.011 2.673 4.873 512 HB3 ALA 66 HB3 ALA 66 -0.201 4.418 5.043 513 H LYS 67 H LYS 67 1.602 5.593 2.628 514 HA LYS 67 HA LYS 67 3.339 3.932 0.925 515 HB2 LYS 67 HB2 LYS 67 2.300 6.703 0.498 516 HB3 LYS 67 HB3 LYS 67 3.893 6.288 -0.119 517 HG2 LYS 67 HG2 LYS 67 2.754 4.305 -1.246 518 HG3 LYS 67 HG3 LYS 67 1.236 5.125 -0.875 519 HD2 LYS 67 HD2 LYS 67 3.474 6.525 -2.305 520 HD3 LYS 67 HD3 LYS 67 2.295 5.542 -3.174 521 HE2 LYS 67 HE2 LYS 67 0.490 6.923 -2.408 522 HE3 LYS 67 HE3 LYS 67 1.568 7.817 -1.337 523 HZ1 LYS 67 HZ1 LYS 67 1.165 9.108 -3.290 524 HZ2 LYS 67 HZ2 LYS 67 1.604 7.829 -4.305 525 HZ3 LYS 67 HZ3 LYS 67 2.771 8.579 -3.338 526 H VAL 68 H VAL 68 5.360 3.760 1.627 527 HA VAL 68 HA VAL 68 6.385 5.820 3.468 528 HB VAL 68 HB VAL 68 5.936 3.712 4.651 529 HG11 VAL 68 HG11 VAL 68 7.871 2.545 2.658 530 HG12 VAL 68 HG12 VAL 68 6.177 2.111 2.888 531 HG13 VAL 68 HG13 VAL 68 7.362 1.734 4.139 532 HG21 VAL 68 HG21 VAL 68 8.050 3.518 5.761 533 HG22 VAL 68 HG22 VAL 68 7.827 5.204 5.295 534 HG23 VAL 68 HG23 VAL 68 8.902 4.165 4.359 535 H ASP 69 H ASP 69 8.734 6.078 3.475 536 HA ASP 69 HA ASP 69 9.864 5.592 0.810 537 HB2 ASP 69 HB2 ASP 69 10.949 7.595 2.768 538 HB3 ASP 69 HB3 ASP 69 11.105 7.562 1.018 539 H ALA 70 H ALA 70 12.009 4.893 0.602 540 HA ALA 70 HA ALA 70 12.881 3.120 2.692 541 HB1 ALA 70 HB1 ALA 70 13.018 2.424 0.372 542 HB2 ALA 70 HB2 ALA 70 14.623 2.454 1.104 543 HB3 ALA 70 HB3 ALA 70 14.123 3.754 0.022 544 H THR 71 H THR 71 13.233 6.343 2.416 545 HA THR 71 HA THR 71 15.987 6.785 2.744 546 HB THR 71 HB THR 71 15.402 9.010 3.410 547 HG1 THR 71 HG1 THR 71 13.855 8.963 4.868 548 HG21 THR 71 HG21 THR 71 14.834 9.352 1.298 549 HG22 THR 71 HG22 THR 71 13.157 9.166 1.812 550 HG23 THR 71 HG23 THR 71 14.044 7.780 1.177 551 H ALA 72 H ALA 72 13.396 6.509 5.212 552 HA ALA 72 HA ALA 72 15.227 5.363 7.081 553 HB1 ALA 72 HB1 ALA 72 14.554 8.258 7.298 554 HB2 ALA 72 HB2 ALA 72 16.083 7.431 7.593 555 HB3 ALA 72 HB3 ALA 72 14.772 7.306 8.766 556 H ASN 73 H ASN 73 13.909 3.799 7.735 557 HA ASN 73 HA ASN 73 11.911 4.165 9.586 558 HB2 ASN 73 HB2 ASN 73 9.972 3.308 7.955 559 HB3 ASN 73 HB3 ASN 73 10.257 5.016 8.261 560 HD21 ASN 73 HD21 ASN 73 10.313 6.236 6.540 561 HD22 ASN 73 HD22 ASN 73 10.758 5.740 4.946 562 H ASP 74 H ASP 74 10.285 2.067 9.434 563 HA ASP 74 HA ASP 74 11.826 -0.121 10.072 564 HB2 ASP 74 HB2 ASP 74 9.069 0.445 9.849 565 HB3 ASP 74 HB3 ASP 74 9.342 -1.033 8.934 566 H VAL 75 H VAL 75 9.751 -0.265 7.192 567 HA VAL 75 HA VAL 75 9.996 -1.488 5.269 568 HB VAL 75 HB VAL 75 11.063 0.633 4.696 569 HG11 VAL 75 HG11 VAL 75 13.519 -0.686 5.809 570 HG12 VAL 75 HG12 VAL 75 12.819 0.878 6.224 571 HG13 VAL 75 HG13 VAL 75 13.613 0.653 4.666 572 HG21 VAL 75 HG21 VAL 75 11.662 -1.911 3.457 573 HG22 VAL 75 HG22 VAL 75 12.917 -0.718 3.124 574 HG23 VAL 75 HG23 VAL 75 11.238 -0.368 2.716 575 HA PRO 76 HA PRO 76 13.043 -4.562 7.246 576 HB2 PRO 76 HB2 PRO 76 11.208 -6.441 7.957 577 HB3 PRO 76 HB3 PRO 76 11.727 -5.140 9.035 578 HG2 PRO 76 HG2 PRO 76 9.269 -5.326 7.336 579 HG3 PRO 76 HG3 PRO 76 9.434 -4.756 9.008 580 HD2 PRO 76 HD2 PRO 76 9.245 -3.056 6.918 581 HD3 PRO 76 HD3 PRO 76 10.216 -2.684 8.357 582 H ASP 77 H ASP 77 10.250 -4.830 5.135 583 HA ASP 77 HA ASP 77 10.702 -7.330 4.008 584 HB2 ASP 77 HB2 ASP 77 9.520 -4.821 2.815 585 HB3 ASP 77 HB3 ASP 77 9.521 -6.372 1.981 586 H GLU 78 H GLU 78 11.475 -7.797 1.779 587 HA GLU 78 HA GLU 78 14.130 -6.695 1.436 588 HB2 GLU 78 HB2 GLU 78 14.432 -8.448 -0.226 589 HB3 GLU 78 HB3 GLU 78 13.743 -9.120 1.245 590 HG2 GLU 78 HG2 GLU 78 11.486 -8.904 0.116 591 HG3 GLU 78 HG3 GLU 78 12.377 -8.592 -1.372 592 H ILE 79 H ILE 79 14.857 -5.479 -0.263 593 HA ILE 79 HA ILE 79 12.993 -4.796 -2.411 594 HB ILE 79 HB ILE 79 14.156 -2.851 -0.441 595 HG12 ILE 79 HG12 ILE 79 11.529 -2.384 -1.673 596 HG13 ILE 79 HG13 ILE 79 11.645 -3.885 -0.755 597 HG21 ILE 79 HG21 ILE 79 14.938 -1.976 -2.522 598 HG22 ILE 79 HG22 ILE 79 13.545 -1.020 -2.018 599 HG23 ILE 79 HG23 ILE 79 13.367 -2.237 -3.281 600 HD11 ILE 79 HD11 ILE 79 10.838 -1.859 0.496 601 HD12 ILE 79 HD12 ILE 79 12.479 -1.230 0.355 602 HD13 ILE 79 HD13 ILE 79 12.184 -2.734 1.226 603 H GLN 80 H GLN 80 13.994 -4.860 -4.314 604 HA GLN 80 HA GLN 80 16.856 -5.129 -4.484 605 HB2 GLN 80 HB2 GLN 80 14.611 -5.104 -6.488 606 HB3 GLN 80 HB3 GLN 80 16.287 -5.047 -7.017 607 HG2 GLN 80 HG2 GLN 80 16.747 -7.165 -6.015 608 HG3 GLN 80 HG3 GLN 80 15.164 -7.198 -5.241 609 HE21 GLN 80 HE22 GLN 80 13.439 -7.940 -6.350 610 HE22 GLN 80 HE32 GLN 80 13.504 -8.526 -7.974 611 H GLY 81 H GLY 81 14.491 -2.649 -4.831 612 HA2 GLY 81 HA2 GLY 81 16.570 -0.622 -5.121 613 HA3 GLY 81 HA3 GLY 81 15.320 -0.666 -6.366 614 H PHE 82 H PHE 82 13.110 -0.398 -5.718 615 HA PHE 82 HA PHE 82 12.340 0.223 -3.107 616 HB2 PHE 82 HB2 PHE 82 12.048 2.643 -4.793 617 HB3 PHE 82 HB3 PHE 82 11.936 2.426 -3.037 618 HD1 PHE 82 HD1 PHE 82 14.273 2.744 -5.871 619 HD2 PHE 82 HD2 PHE 82 13.855 2.645 -1.640 620 HE1 PHE 82 HE1 PHE 82 16.591 3.535 -5.628 621 HE2 PHE 82 HE2 PHE 82 16.171 3.436 -1.386 622 HZ PHE 82 HZ PHE 82 17.542 3.881 -3.383 623 HA PRO 83 HA PRO 83 8.757 1.509 -6.073 624 HB2 PRO 83 HB2 PRO 83 9.304 0.175 -8.430 625 HB3 PRO 83 HB3 PRO 83 9.241 1.911 -8.164 626 HG2 PRO 83 HG2 PRO 83 11.600 0.107 -8.290 627 HG3 PRO 83 HG3 PRO 83 11.440 1.788 -8.840 628 HD2 PRO 83 HD2 PRO 83 12.707 1.229 -6.576 629 HD3 PRO 83 HD3 PRO 83 11.621 2.635 -6.675 630 H THR 84 H THR 84 8.625 0.034 -4.361 631 HA THR 84 HA THR 84 8.101 -2.748 -5.121 632 HB THR 84 HB THR 84 8.412 -2.959 -2.512 633 HG1 THR 84 HG1 THR 84 10.289 -1.025 -2.643 634 HG21 THR 84 HG21 THR 84 9.941 -3.739 -4.465 635 HG22 THR 84 HG22 THR 84 10.548 -3.700 -2.809 636 HG23 THR 84 HG23 THR 84 10.949 -2.393 -3.925 637 H ILE 85 H ILE 85 6.298 -3.794 -4.325 638 HA ILE 85 HA ILE 85 4.314 -2.186 -2.885 639 HB ILE 85 HB ILE 85 3.385 -3.910 -5.152 640 HG12 ILE 85 HG12 ILE 85 4.206 -1.003 -5.388 641 HG13 ILE 85 HG13 ILE 85 5.025 -2.364 -6.147 642 HG21 ILE 85 HG21 ILE 85 2.278 -1.567 -3.632 643 HG22 ILE 85 HG22 ILE 85 1.666 -3.220 -3.693 644 HG23 ILE 85 HG23 ILE 85 1.542 -2.180 -5.112 645 HD11 ILE 85 HD11 ILE 85 2.816 -0.835 -7.093 646 HD12 ILE 85 HD12 ILE 85 2.327 -2.520 -6.916 647 HD13 ILE 85 HD13 ILE 85 3.724 -2.107 -7.910 648 H LYS 86 H LYS 86 4.113 -3.303 -1.063 649 HA LYS 86 HA LYS 86 4.036 -6.234 -1.182 650 HB2 LYS 86 HB2 LYS 86 4.899 -4.263 0.864 651 HB3 LYS 86 HB3 LYS 86 4.172 -5.753 1.450 652 HG2 LYS 86 HG2 LYS 86 6.616 -5.882 1.336 653 HG3 LYS 86 HG3 LYS 86 5.833 -7.066 0.287 654 HD2 LYS 86 HD2 LYS 86 6.545 -6.047 -1.623 655 HD3 LYS 86 HD3 LYS 86 6.515 -4.436 -0.902 656 HE2 LYS 86 HE2 LYS 86 8.794 -4.974 -1.289 657 HE3 LYS 86 HE3 LYS 86 8.523 -5.117 0.448 658 HZ1 LYS 86 HZ1 LYS 86 9.116 -7.185 -1.517 659 HZ2 LYS 86 HZ2 LYS 86 8.035 -7.604 -0.286 660 HZ3 LYS 86 HZ3 LYS 86 9.589 -7.063 0.103 661 H LEU 87 H LEU 87 2.233 -7.327 -0.740 662 HA LEU 87 HA LEU 87 -0.053 -5.828 0.360 663 HB2 LEU 87 HB2 LEU 87 -0.484 -6.404 -1.935 664 HB3 LEU 87 HB3 LEU 87 0.007 -8.063 -1.661 665 HG LEU 87 HG LEU 87 -2.502 -7.549 -1.854 666 HD11 LEU 87 HD11 LEU 87 -1.231 -9.616 -0.858 667 HD12 LEU 87 HD12 LEU 87 -2.979 -9.452 -0.685 668 HD13 LEU 87 HD13 LEU 87 -1.917 -9.029 0.658 669 HD21 LEU 87 HD21 LEU 87 -2.418 -6.994 1.064 670 HD22 LEU 87 HD22 LEU 87 -3.634 -6.560 -0.137 671 HD23 LEU 87 HD23 LEU 87 -2.121 -5.659 -0.049 672 H TYR 88 H TYR 88 -0.477 -6.411 2.371 673 HA TYR 88 HA TYR 88 0.243 -9.089 3.291 674 HB2 TYR 88 HB2 TYR 88 0.072 -6.465 4.510 675 HB3 TYR 88 HB3 TYR 88 -0.825 -7.656 5.446 676 HD1 TYR 88 HD1 TYR 88 2.497 -7.148 3.823 677 HD2 TYR 88 HD2 TYR 88 0.309 -8.980 6.978 678 HE1 TYR 88 HE1 TYR 88 4.603 -7.941 4.814 679 HE2 TYR 88 HE2 TYR 88 2.409 -9.776 7.980 680 HH TYR 88 HH TYR 88 4.844 -10.310 6.969 681 HA PRO 89 HA PRO 89 -4.158 -9.993 2.600 682 HB2 PRO 89 HB2 PRO 89 -3.902 -12.686 2.905 683 HB3 PRO 89 HB3 PRO 89 -3.539 -11.844 1.394 684 HG2 PRO 89 HG2 PRO 89 -1.671 -12.784 3.536 685 HG3 PRO 89 HG3 PRO 89 -1.498 -12.890 1.774 686 HD2 PRO 89 HD2 PRO 89 -0.238 -11.001 3.237 687 HD3 PRO 89 HD3 PRO 89 -0.807 -10.696 1.583 688 H ALA 90 H ALA 90 -5.620 -9.787 4.159 689 HA ALA 90 HA ALA 90 -5.054 -9.949 6.892 690 HB1 ALA 90 HB1 ALA 90 -6.883 -8.651 6.593 691 HB2 ALA 90 HB2 ALA 90 -7.723 -10.168 6.914 692 HB3 ALA 90 HB3 ALA 90 -7.490 -9.624 5.253 693 H GLY 91 H GLY 91 -4.847 -11.623 8.222 694 HA2 GLY 91 HA2 GLY 91 -5.583 -13.649 9.212 695 HA3 GLY 91 HA3 GLY 91 -6.371 -14.072 7.699 696 H ALA 92 H ALA 92 -3.931 -13.326 6.163 697 HA ALA 92 HA ALA 92 -2.408 -15.779 6.725 698 HB1 ALA 92 HB1 ALA 92 -1.809 -14.703 4.146 699 HB2 ALA 92 HB2 ALA 92 -3.559 -14.793 4.347 700 HB3 ALA 92 HB3 ALA 92 -2.571 -16.238 4.561 701 H LYS 93 H LYS 93 -1.147 -14.652 8.341 702 HA LYS 93 HA LYS 93 0.508 -12.437 7.563 703 HB2 LYS 93 HB2 LYS 93 -0.386 -13.304 9.957 704 HB3 LYS 93 HB3 LYS 93 1.222 -14.015 9.966 705 HG2 LYS 93 HG2 LYS 93 2.190 -11.797 9.553 706 HG3 LYS 93 HG3 LYS 93 0.570 -11.098 9.601 707 HD2 LYS 93 HD2 LYS 93 1.919 -12.580 11.859 708 HD3 LYS 93 HD3 LYS 93 1.736 -10.828 11.741 709 HE2 LYS 93 HE2 LYS 93 -0.712 -11.114 11.729 710 HE3 LYS 93 HE3 LYS 93 -0.494 -12.853 11.918 711 HZ1 LYS 93 HZ1 LYS 93 -0.671 -12.353 14.085 712 HZ2 LYS 93 HZ2 LYS 93 -0.238 -10.732 13.875 713 HZ3 LYS 93 HZ3 LYS 93 0.961 -11.922 13.954 714 H GLY 94 H GLY 94 1.180 -13.933 5.635 715 HA2 GLY 94 HA2 GLY 94 3.911 -14.427 5.843 716 HA3 GLY 94 HA3 GLY 94 3.099 -15.966 6.090 717 H GLN 95 H GLN 95 2.074 -13.341 3.962 718 HA GLN 95 HA GLN 95 2.927 -14.832 1.612 719 HB2 GLN 95 HB2 GLN 95 0.053 -14.293 2.322 720 HB3 GLN 95 HB3 GLN 95 0.558 -14.510 0.652 721 HG2 GLN 95 HG2 GLN 95 1.191 -16.540 2.763 722 HG3 GLN 95 HG3 GLN 95 -0.349 -16.537 1.905 723 HE21 GLN 95 HE22 GLN 95 2.965 -17.338 1.788 724 HE22 GLN 95 HE32 GLN 95 2.990 -17.989 0.188 725 HA PRO 96 HA PRO 96 2.971 -10.096 1.408 726 HB2 PRO 96 HB2 PRO 96 5.666 -9.825 1.134 727 HB3 PRO 96 HB3 PRO 96 4.848 -9.814 2.700 728 HG2 PRO 96 HG2 PRO 96 6.289 -12.053 1.330 729 HG3 PRO 96 HG3 PRO 96 6.342 -11.564 3.035 730 HD2 PRO 96 HD2 PRO 96 4.858 -13.652 2.180 731 HD3 PRO 96 HD3 PRO 96 4.347 -12.616 3.529 732 H VAL 97 H VAL 97 2.287 -9.655 -0.596 733 HA VAL 97 HA VAL 97 3.532 -10.940 -2.894 734 HB VAL 97 HB VAL 97 1.166 -9.068 -2.762 735 HG11 VAL 97 HG11 VAL 97 2.009 -10.842 -5.041 736 HG12 VAL 97 HG12 VAL 97 2.394 -9.123 -4.938 737 HG13 VAL 97 HG13 VAL 97 0.711 -9.648 -5.023 738 HG21 VAL 97 HG21 VAL 97 1.459 -11.942 -2.322 739 HG22 VAL 97 HG22 VAL 97 0.218 -11.522 -3.503 740 HG23 VAL 97 HG23 VAL 97 0.147 -10.852 -1.873 741 H THR 98 H THR 98 5.170 -10.017 -3.921 742 HA THR 98 HA THR 98 5.547 -7.115 -3.684 743 HB THR 98 HB THR 98 7.615 -8.981 -4.793 744 HG1 THR 98 HG1 THR 98 8.082 -9.755 -2.888 745 HG21 THR 98 HG21 THR 98 8.301 -6.745 -4.925 746 HG22 THR 98 HG22 THR 98 9.112 -7.403 -3.504 747 HG23 THR 98 HG23 THR 98 7.690 -6.376 -3.313 748 H TYR 99 H TYR 99 5.408 -5.812 -5.411 749 HA TYR 99 HA TYR 99 4.336 -6.812 -7.849 750 HB2 TYR 99 HB2 TYR 99 4.577 -4.299 -6.598 751 HB3 TYR 99 HB3 TYR 99 5.409 -4.154 -8.143 752 HD1 TYR 99 HD2 TYR 99 2.209 -5.443 -6.715 753 HD2 TYR 99 HD1 TYR 99 4.172 -3.634 -10.027 754 HE1 TYR 99 HE2 TYR 99 0.045 -5.191 -7.855 755 HE2 TYR 99 HE1 TYR 99 2.013 -3.379 -11.176 756 HH TYR 99 HH TYR 99 -0.272 -3.394 -10.838 757 H SER 100 H SER 100 5.283 -7.220 -9.781 758 HA SER 100 HA SER 100 8.209 -7.249 -9.826 759 HB2 SER 100 HB2 SER 100 6.477 -9.214 -10.480 760 HB3 SER 100 HB3 SER 100 6.683 -8.460 -12.061 761 HG SER 100 HG SER 100 8.388 -9.718 -12.079 762 H GLY 101 H GLY 101 6.429 -4.850 -10.309 763 HA2 GLY 101 HA2 GLY 101 7.528 -3.072 -11.685 764 HA3 GLY 101 HA3 GLY 101 7.400 -4.202 -13.024 765 H SER 102 H SER 102 6.024 -1.553 -11.622 766 HA SER 102 HA SER 102 3.274 -1.975 -11.817 767 HB2 SER 102 HB2 SER 102 3.075 0.464 -11.963 768 HB3 SER 102 HB3 SER 102 4.277 0.012 -10.755 769 HG SER 102 HG SER 102 5.881 0.647 -12.095 770 H ARG 103 H ARG 103 2.008 -2.399 -13.490 771 HA ARG 103 HA ARG 103 2.986 -1.759 -16.191 772 HB2 ARG 103 HB2 ARG 103 1.401 -4.010 -15.068 773 HB3 ARG 103 HB3 ARG 103 1.006 -3.486 -16.700 774 HG2 ARG 103 HG2 ARG 103 3.727 -3.647 -16.805 775 HG3 ARG 103 HG3 ARG 103 3.320 -4.966 -15.706 776 HD2 ARG 103 HD2 ARG 103 3.343 -5.840 -17.930 777 HD3 ARG 103 HD3 ARG 103 1.666 -5.765 -17.392 778 HE ARG 103 HE ARG 103 1.248 -4.326 -19.106 779 HH11 ARG 103 HH11 ARG 103 4.675 -4.268 -18.448 780 HH12 ARG 103 HH12 ARG 103 5.040 -3.222 -19.779 781 HH21 ARG 103 HH21 ARG 103 1.726 -2.952 -20.859 782 HH22 ARG 103 HH22 ARG 103 3.366 -2.474 -21.147 783 H THR 104 H THR 104 0.232 -1.537 -14.017 784 HA THR 104 HA THR 104 -0.743 0.829 -15.159 785 HB THR 104 HB THR 104 -1.411 -0.504 -17.055 786 HG1 THR 104 HG1 THR 104 -3.717 -0.086 -15.466 787 HG21 THR 104 HG21 THR 104 -1.511 -2.684 -15.734 788 HG22 THR 104 HG22 THR 104 -2.707 -2.434 -17.006 789 HG23 THR 104 HG23 THR 104 -3.156 -2.203 -15.316 790 H VAL 105 H VAL 105 -2.849 1.483 -14.228 791 HA VAL 105 HA VAL 105 -2.947 0.951 -11.471 792 HB VAL 105 HB VAL 105 -5.178 2.115 -13.140 793 HG11 VAL 105 HG11 VAL 105 -5.258 3.432 -10.802 794 HG12 VAL 105 HG12 VAL 105 -4.641 1.876 -10.248 795 HG13 VAL 105 HG13 VAL 105 -6.173 1.957 -11.116 796 HG21 VAL 105 HG21 VAL 105 -3.595 3.624 -13.706 797 HG22 VAL 105 HG22 VAL 105 -2.554 3.203 -12.346 798 HG23 VAL 105 HG23 VAL 105 -3.940 4.266 -12.100 799 H GLU 106 H GLU 106 -5.147 -0.051 -14.088 800 HA GLU 106 HA GLU 106 -6.994 -1.478 -12.636 801 HB2 GLU 106 HB2 GLU 106 -7.460 -2.731 -14.666 802 HB3 GLU 106 HB3 GLU 106 -7.169 -1.041 -15.053 803 HG2 GLU 106 HG2 GLU 106 -5.038 -1.506 -15.940 804 HG3 GLU 106 HG3 GLU 106 -5.026 -3.131 -15.256 805 H ASP 107 H ASP 107 -3.713 -2.350 -13.394 806 HA ASP 107 HA ASP 107 -4.016 -5.130 -12.731 807 HB2 ASP 107 HB2 ASP 107 -1.772 -3.338 -13.501 808 HB3 ASP 107 HB3 ASP 107 -1.361 -4.786 -12.587 809 H LEU 108 H LEU 108 -2.875 -2.224 -11.093 810 HA LEU 108 HA LEU 108 -1.884 -3.478 -8.771 811 HB2 LEU 108 HB2 LEU 108 -2.879 -0.700 -9.345 812 HB3 LEU 108 HB3 LEU 108 -2.333 -1.165 -7.745 813 HG LEU 108 HG LEU 108 -0.548 -1.567 -10.119 814 HD11 LEU 108 HD11 LEU 108 -0.773 0.655 -10.494 815 HD12 LEU 108 HD12 LEU 108 0.389 0.741 -9.170 816 HD13 LEU 108 HD13 LEU 108 -1.328 0.990 -8.854 817 HD21 LEU 108 HD21 LEU 108 0.038 -0.950 -7.227 818 HD22 LEU 108 HD22 LEU 108 1.199 -1.400 -8.476 819 HD23 LEU 108 HD23 LEU 108 0.004 -2.571 -7.920 820 H ILE 109 H ILE 109 -5.081 -2.400 -9.713 821 HA ILE 109 HA ILE 109 -6.277 -2.693 -7.140 822 HB ILE 109 HB ILE 109 -7.698 -2.768 -9.801 823 HG12 ILE 109 HG12 ILE 109 -6.925 -0.364 -8.132 824 HG13 ILE 109 HG13 ILE 109 -6.234 -0.796 -9.692 825 HG21 ILE 109 HG21 ILE 109 -9.603 -2.688 -8.649 826 HG22 ILE 109 HG22 ILE 109 -8.997 -1.420 -7.583 827 HG23 ILE 109 HG23 ILE 109 -8.647 -3.113 -7.229 828 HD11 ILE 109 HD11 ILE 109 -8.425 -0.483 -10.736 829 HD12 ILE 109 HD12 ILE 109 -7.852 0.980 -9.935 830 HD13 ILE 109 HD13 ILE 109 -9.091 -0.016 -9.171 831 H LYS 110 H LYS 110 -6.382 -4.670 -10.104 832 HA LYS 110 HA LYS 110 -7.913 -6.765 -9.042 833 HB2 LYS 110 HB2 LYS 110 -6.937 -6.170 -11.506 834 HB3 LYS 110 HB3 LYS 110 -5.885 -7.504 -11.055 835 HG2 LYS 110 HG2 LYS 110 -7.602 -8.595 -12.121 836 HG3 LYS 110 HG3 LYS 110 -8.107 -8.699 -10.434 837 HD2 LYS 110 HD2 LYS 110 -9.890 -7.358 -10.755 838 HD3 LYS 110 HD3 LYS 110 -9.013 -6.290 -11.853 839 HE2 LYS 110 HE2 LYS 110 -10.344 -7.199 -13.420 840 HE3 LYS 110 HE3 LYS 110 -9.193 -8.533 -13.358 841 HZ1 LYS 110 HZ1 LYS 110 -11.868 -8.348 -12.130 842 HZ2 LYS 110 HZ2 LYS 110 -10.717 -9.429 -11.524 843 HZ3 LYS 110 HZ3 LYS 110 -11.239 -9.561 -13.128 844 H PHE 111 H PHE 111 -4.594 -5.939 -8.615 845 HA PHE 111 HA PHE 111 -3.639 -8.523 -7.882 846 HB2 PHE 111 HB2 PHE 111 -2.443 -6.143 -8.469 847 HB3 PHE 111 HB3 PHE 111 -2.278 -6.181 -6.717 848 HD1 PHE 111 HD1 PHE 111 -2.132 -8.927 -9.229 849 HD2 PHE 111 HD2 PHE 111 -0.075 -6.666 -6.269 850 HE1 PHE 111 HE1 PHE 111 -0.187 -10.418 -9.447 851 HE2 PHE 111 HE2 PHE 111 1.873 -8.151 -6.481 852 HZ PHE 111 HZ PHE 111 1.820 -10.030 -8.073 853 H ILE 112 H ILE 112 -4.513 -5.641 -5.986 854 HA ILE 112 HA ILE 112 -4.100 -6.644 -3.445 855 HB ILE 112 HB ILE 112 -6.281 -4.734 -4.296 856 HG12 ILE 112 HG12 ILE 112 -3.718 -3.839 -3.071 857 HG13 ILE 112 HG13 ILE 112 -3.683 -4.336 -4.759 858 HG21 ILE 112 HG21 ILE 112 -6.204 -3.925 -1.995 859 HG22 ILE 112 HG22 ILE 112 -5.002 -5.152 -1.596 860 HG23 ILE 112 HG23 ILE 112 -6.636 -5.634 -2.050 861 HD11 ILE 112 HD11 ILE 112 -5.411 -2.180 -3.569 862 HD12 ILE 112 HD12 ILE 112 -5.441 -2.698 -5.255 863 HD13 ILE 112 HD13 ILE 112 -3.990 -1.951 -4.588 864 H ALA 113 H ALA 113 -7.031 -6.864 -5.441 865 HA ALA 113 HA ALA 113 -8.505 -8.300 -3.451 866 HB1 ALA 113 HB1 ALA 113 -10.105 -7.435 -4.742 867 HB2 ALA 113 HB2 ALA 113 -9.790 -8.779 -5.840 868 HB3 ALA 113 HB3 ALA 113 -9.006 -7.222 -6.105 869 H GLU 114 H GLU 114 -6.291 -9.167 -5.959 870 HA GLU 114 HA GLU 114 -7.142 -11.887 -6.227 871 HB2 GLU 114 HB2 GLU 114 -4.875 -10.238 -7.216 872 HB3 GLU 114 HB3 GLU 114 -4.644 -11.980 -7.176 873 HG2 GLU 114 HG2 GLU 114 -6.978 -10.649 -8.519 874 HG3 GLU 114 HG3 GLU 114 -5.473 -11.051 -9.345 875 H ASN 115 H ASN 115 -4.349 -10.333 -4.649 876 HA ASN 115 HA ASN 115 -3.680 -12.819 -3.302 877 HB2 ASN 115 HB2 ASN 115 -2.280 -10.299 -2.582 878 HB3 ASN 115 HB3 ASN 115 -1.627 -11.909 -2.863 879 HD21 ASN 115 HD21 ASN 115 -1.961 -8.829 -4.083 880 HD22 ASN 115 HD22 ASN 115 -1.487 -9.134 -5.716 881 H GLY 116 H GLY 116 -4.881 -9.593 -2.498 882 HA2 GLY 116 HA2 GLY 116 -4.843 -9.817 0.290 883 HA3 GLY 116 HA3 GLY 116 -5.941 -8.794 -0.625 884 H LYS 117 H LYS 117 -5.747 -11.338 1.495 885 HA LYS 117 HA LYS 117 -7.752 -13.099 0.711 886 HB2 LYS 117 HB2 LYS 117 -6.120 -13.100 2.773 887 HB3 LYS 117 HB3 LYS 117 -7.475 -12.333 3.590 888 HG2 LYS 117 HG2 LYS 117 -8.439 -14.598 2.157 889 HG3 LYS 117 HG3 LYS 117 -7.037 -15.080 3.114 890 HD2 LYS 117 HD2 LYS 117 -8.403 -13.529 4.889 891 HD3 LYS 117 HD3 LYS 117 -9.722 -14.262 3.973 892 HE2 LYS 117 HE2 LYS 117 -7.570 -16.103 4.763 893 HE3 LYS 117 HE3 LYS 117 -8.494 -15.417 6.099 894 HZ1 LYS 117 HZ1 LYS 117 -10.037 -16.425 3.849 895 HZ2 LYS 117 HZ2 LYS 117 -10.345 -16.532 5.509 896 HZ3 LYS 117 HZ3 LYS 117 -9.242 -17.590 4.785 897 H TYR 118 H TYR 118 -7.975 -9.992 2.359 898 HA TYR 118 HA TYR 118 -10.743 -10.132 2.942 899 HB2 TYR 118 HB2 TYR 118 -8.616 -8.286 3.348 900 HB3 TYR 118 HB3 TYR 118 -9.937 -7.414 2.577 901 HD1 TYR 118 HD2 TYR 118 -9.477 -9.937 5.305 902 HD2 TYR 118 HD1 TYR 118 -11.458 -6.411 3.985 903 HE1 TYR 118 HE2 TYR 118 -10.625 -9.777 7.473 904 HE2 TYR 118 HE1 TYR 118 -12.610 -6.240 6.150 905 HH TYR 118 HH TYR 118 -11.767 -7.445 8.782 906 H LYS 119 H LYS 119 -9.003 -9.523 0.047 907 HA LYS 119 HA LYS 119 -9.675 -9.130 -2.087 908 HB2 LYS 119 HB2 LYS 119 -11.923 -10.342 -0.840 909 HB3 LYS 119 HB3 LYS 119 -12.527 -9.036 -1.850 910 HG2 LYS 119 HG2 LYS 119 -11.959 -10.072 -3.769 911 HG3 LYS 119 HG3 LYS 119 -10.502 -10.790 -3.079 912 HD2 LYS 119 HD2 LYS 119 -12.005 -12.348 -1.797 913 HD3 LYS 119 HD3 LYS 119 -13.348 -11.725 -2.757 914 HE2 LYS 119 HE2 LYS 119 -12.514 -12.630 -4.735 915 HE3 LYS 119 HE3 LYS 119 -10.887 -12.804 -4.079 916 HZ1 LYS 119 HZ1 LYS 119 -13.203 -14.551 -3.793 917 HZ2 LYS 119 HZ2 LYS 119 -12.194 -14.404 -2.443 918 HZ3 LYS 119 HZ3 LYS 119 -11.561 -14.941 -3.917 919 H ALA 120 H ALA 120 -8.939 -6.957 -0.722 920 HA ALA 120 HA ALA 120 -10.865 -4.883 -0.592 921 HB1 ALA 120 HB1 ALA 120 -9.116 -3.470 -0.014 922 HB2 ALA 120 HB2 ALA 120 -7.942 -4.366 -0.978 923 HB3 ALA 120 HB3 ALA 120 -8.545 -5.047 0.533 924 H ALA 121 H ALA 121 -11.835 -5.373 -2.746 925 HA ALA 121 HA ALA 121 -11.194 -3.367 -4.598 926 HB1 ALA 121 HB1 ALA 121 -9.412 -5.393 -4.862 927 HB2 ALA 121 HB2 ALA 121 -9.887 -4.307 -6.167 928 HB3 ALA 121 HB3 ALA 121 -10.657 -5.886 -6.010 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -13.168 24.260 4.819 2 H2 GLY 1 2H GLY 1 -13.104 24.657 6.462 3 H3 GLY 1 3H GLY 1 -11.681 24.284 5.627 4 HA2 GLY 1 HA3 GLY 1 -13.329 26.522 4.686 5 HA3 GLY 1 HA2 GLY 1 -12.319 26.753 6.106 6 HA PRO 2 HA PRO 2 -8.860 27.576 3.510 7 HB2 PRO 2 HB2 PRO 2 -6.792 26.443 4.854 8 HB3 PRO 2 HB3 PRO 2 -7.601 27.914 5.404 9 HG2 PRO 2 HG2 PRO 2 -7.983 25.089 6.316 10 HG3 PRO 2 HG3 PRO 2 -7.875 26.572 7.283 11 HD2 PRO 2 HD2 PRO 2 -10.237 25.388 6.692 12 HD3 PRO 2 HD3 PRO 2 -10.070 27.146 6.876 13 H LEU 3 H LEU 3 -9.396 24.242 4.449 14 HA LEU 3 HA LEU 3 -9.075 22.267 3.369 15 HB2 LEU 3 HB2 LEU 3 -8.664 23.933 0.889 16 HB3 LEU 3 HB3 LEU 3 -9.139 22.247 0.964 17 HG LEU 3 HG LEU 3 -10.823 24.544 1.966 18 HD11 LEU 3 HD11 LEU 3 -11.058 24.896 -0.255 19 HD12 LEU 3 HD12 LEU 3 -12.201 23.561 -0.104 20 HD13 LEU 3 HD13 LEU 3 -10.562 23.258 -0.681 21 HD21 LEU 3 HD21 LEU 3 -11.088 21.595 2.005 22 HD22 LEU 3 HD22 LEU 3 -12.535 22.529 1.622 23 HD23 LEU 3 HD23 LEU 3 -11.683 22.805 3.142 24 H GLY 4 H GLY 4 -7.440 20.888 2.435 25 HA2 GLY 4 HA2 GLY 4 -4.963 21.647 1.480 26 HA3 GLY 4 HA3 GLY 4 -4.811 21.649 3.230 27 H SER 5 H SER 5 -4.104 19.823 4.092 28 HA SER 5 HA SER 5 -4.376 17.346 2.534 29 HB2 SER 5 HB2 SER 5 -2.562 17.464 4.888 30 HB3 SER 5 HB3 SER 5 -2.341 16.660 3.334 31 HG SER 5 HG SER 5 -1.658 19.209 4.119 32 H GLU 6 H GLU 6 -6.177 16.308 3.141 33 HA GLU 6 HA GLU 6 -7.017 16.306 5.922 34 HB2 GLU 6 HB2 GLU 6 -8.706 16.604 4.172 35 HB3 GLU 6 HB3 GLU 6 -8.276 15.047 3.479 36 HG2 GLU 6 HG2 GLU 6 -8.970 13.973 5.606 37 HG3 GLU 6 HG3 GLU 6 -9.527 15.548 6.168 38 H GLY 7 H GLY 7 -6.870 13.666 3.543 39 HA2 GLY 7 HA2 GLY 7 -4.954 12.084 4.759 40 HA3 GLY 7 HA3 GLY 7 -6.472 11.690 5.551 41 HA PRO 8 HA PRO 8 -7.260 10.400 0.994 42 HB2 PRO 8 HB2 PRO 8 -5.299 10.796 -0.837 43 HB3 PRO 8 HB3 PRO 8 -6.527 12.014 -0.472 44 HG2 PRO 8 HG2 PRO 8 -3.708 11.810 0.517 45 HG3 PRO 8 HG3 PRO 8 -4.596 13.239 -0.045 46 HD2 PRO 8 HD2 PRO 8 -4.244 12.679 2.583 47 HD3 PRO 8 HD3 PRO 8 -5.688 13.507 1.966 48 H VAL 9 H VAL 9 -3.771 10.196 1.696 49 HA VAL 9 HA VAL 9 -3.947 7.281 1.282 50 HB VAL 9 HB VAL 9 -1.444 8.947 1.027 51 HG11 VAL 9 HG11 VAL 9 -1.138 6.658 -0.454 52 HG12 VAL 9 HG12 VAL 9 -2.056 6.095 0.942 53 HG13 VAL 9 HG13 VAL 9 -0.514 6.918 1.174 54 HG21 VAL 9 HG21 VAL 9 -1.832 8.345 -1.480 55 HG22 VAL 9 HG22 VAL 9 -2.653 9.736 -0.773 56 HG23 VAL 9 HG23 VAL 9 -3.521 8.216 -0.992 57 H THR 10 H THR 10 -3.448 5.996 2.943 58 HA THR 10 HA THR 10 -3.088 7.001 5.535 59 HB THR 10 HB THR 10 -2.545 4.230 4.452 60 HG1 THR 10 HG1 THR 10 -4.611 3.845 4.830 61 HG21 THR 10 HG21 THR 10 -2.032 5.253 7.047 62 HG22 THR 10 HG22 THR 10 -1.888 3.596 6.460 63 HG23 THR 10 HG23 THR 10 -3.415 4.162 7.136 64 H VAL 11 H VAL 11 -1.317 7.158 6.876 65 HA VAL 11 HA VAL 11 1.277 7.210 5.506 66 HB VAL 11 HB VAL 11 0.485 8.458 8.143 67 HG11 VAL 11 HG11 VAL 11 2.627 9.731 7.816 68 HG12 VAL 11 HG12 VAL 11 3.023 8.594 6.528 69 HG13 VAL 11 HG13 VAL 11 2.821 8.017 8.183 70 HG21 VAL 11 HG21 VAL 11 0.662 9.554 5.354 71 HG22 VAL 11 HG22 VAL 11 0.793 10.594 6.772 72 HG23 VAL 11 HG23 VAL 11 -0.675 9.657 6.498 73 H VAL 12 H VAL 12 2.863 5.838 6.014 74 HA VAL 12 HA VAL 12 2.521 4.150 8.407 75 HB VAL 12 HB VAL 12 3.609 3.451 5.685 76 HG11 VAL 12 HG11 VAL 12 4.168 1.210 6.729 77 HG12 VAL 12 HG12 VAL 12 4.055 2.017 8.293 78 HG13 VAL 12 HG13 VAL 12 5.258 2.541 7.115 79 HG21 VAL 12 HG21 VAL 12 1.794 1.678 7.192 80 HG22 VAL 12 HG22 VAL 12 1.818 2.090 5.478 81 HG23 VAL 12 HG23 VAL 12 1.118 3.212 6.644 82 H VAL 13 H VAL 13 4.279 3.781 9.708 83 HA VAL 13 HA VAL 13 6.897 4.787 8.987 84 HB VAL 13 HB VAL 13 7.006 6.120 11.167 85 HG11 VAL 13 HG11 VAL 13 7.043 7.151 8.952 86 HG12 VAL 13 HG12 VAL 13 6.153 8.142 10.108 87 HG13 VAL 13 HG13 VAL 13 5.279 7.166 8.928 88 HG21 VAL 13 HG21 VAL 13 4.087 6.576 10.891 89 HG22 VAL 13 HG22 VAL 13 5.126 6.710 12.310 90 HG23 VAL 13 HG23 VAL 13 4.618 5.122 11.736 91 H ALA 14 H ALA 14 8.513 4.314 10.706 92 HA ALA 14 HA ALA 14 8.454 1.677 11.518 93 HB1 ALA 14 HB1 ALA 14 10.511 2.056 12.369 94 HB2 ALA 14 HB2 ALA 14 10.002 3.498 13.248 95 HB3 ALA 14 HB3 ALA 14 10.340 3.592 11.519 96 H LYS 15 H LYS 15 7.021 4.437 13.036 97 HA LYS 15 HA LYS 15 6.776 3.359 15.655 98 HB2 LYS 15 HB2 LYS 15 5.326 5.580 14.216 99 HB3 LYS 15 HB3 LYS 15 5.013 5.164 15.897 100 HG2 LYS 15 HG2 LYS 15 7.840 5.589 15.256 101 HG3 LYS 15 HG3 LYS 15 6.814 7.011 15.060 102 HD2 LYS 15 HD2 LYS 15 5.905 6.433 17.389 103 HD3 LYS 15 HD3 LYS 15 7.312 5.377 17.529 104 HE2 LYS 15 HE2 LYS 15 7.831 8.133 16.603 105 HE3 LYS 15 HE3 LYS 15 7.305 7.961 18.278 106 HZ1 LYS 15 HZ1 LYS 15 9.786 7.874 17.814 107 HZ2 LYS 15 HZ2 LYS 15 9.511 6.332 17.175 108 HZ3 LYS 15 HZ3 LYS 15 9.147 6.652 18.795 109 H ASN 16 H ASN 16 4.718 3.330 12.788 110 HA ASN 16 HA ASN 16 2.984 1.381 14.155 111 HB2 ASN 16 HB2 ASN 16 1.218 2.402 12.436 112 HB3 ASN 16 HB3 ASN 16 1.458 3.081 14.042 113 HD21 ASN 16 HD21 ASN 16 2.471 3.391 10.675 114 HD22 ASN 16 HD22 ASN 16 2.759 5.094 10.731 115 H TYR 17 H TYR 17 5.292 0.992 12.385 116 HA TYR 17 HA TYR 17 4.298 0.175 9.823 117 HB2 TYR 17 HB2 TYR 17 6.664 0.917 10.303 118 HB3 TYR 17 HB3 TYR 17 6.902 -0.624 11.123 119 HD1 TYR 17 HD2 TYR 17 6.366 -2.754 9.707 120 HD2 TYR 17 HD1 TYR 17 7.130 1.084 8.037 121 HE1 TYR 17 HE2 TYR 17 6.941 -3.809 7.562 122 HE2 TYR 17 HE1 TYR 17 7.706 0.040 5.886 123 HH TYR 17 HH TYR 17 7.008 -3.181 5.161 124 H ASN 18 H ASN 18 5.147 -1.434 12.839 125 HA ASN 18 HA ASN 18 4.746 -4.086 11.866 126 HB2 ASN 18 HB2 ASN 18 4.531 -3.280 14.748 127 HB3 ASN 18 HB3 ASN 18 5.132 -4.793 14.076 128 HD21 ASN 18 HD21 ASN 18 7.242 -4.979 13.546 129 HD22 ASN 18 HD22 ASN 18 8.416 -3.733 13.784 130 H GLU 19 H GLU 19 2.833 -1.994 14.019 131 HA GLU 19 HA GLU 19 0.678 -3.701 14.378 132 HB2 GLU 19 HB2 GLU 19 1.037 -0.745 14.502 133 HB3 GLU 19 HB3 GLU 19 -0.602 -1.380 14.529 134 HG2 GLU 19 HG2 GLU 19 -0.176 -1.309 16.758 135 HG3 GLU 19 HG3 GLU 19 0.391 -2.939 16.400 136 H ILE 20 H ILE 20 1.280 -1.379 11.788 137 HA ILE 20 HA ILE 20 -1.261 -1.847 10.527 138 HB ILE 20 HB ILE 20 1.191 -0.441 9.467 139 HG12 ILE 20 HG12 ILE 20 0.152 0.542 11.521 140 HG13 ILE 20 HG13 ILE 20 0.101 1.606 10.120 141 HG21 ILE 20 HG21 ILE 20 -0.315 0.551 7.817 142 HG22 ILE 20 HG22 ILE 20 -1.644 -0.429 8.436 143 HG23 ILE 20 HG23 ILE 20 -0.262 -1.205 7.661 144 HD11 ILE 20 HD11 ILE 20 -2.199 -0.117 11.000 145 HD12 ILE 20 HD12 ILE 20 -2.213 1.154 9.778 146 HD13 ILE 20 HD13 ILE 20 -1.980 1.567 11.477 147 H VAL 21 H VAL 21 1.938 -2.186 9.012 148 HA VAL 21 HA VAL 21 1.260 -3.801 6.935 149 HB VAL 21 HB VAL 21 3.822 -4.000 8.519 150 HG11 VAL 21 HG11 VAL 21 4.614 -4.551 6.063 151 HG12 VAL 21 HG12 VAL 21 2.947 -5.106 5.900 152 HG13 VAL 21 HG13 VAL 21 3.994 -5.809 7.134 153 HG21 VAL 21 HG21 VAL 21 2.964 -2.185 6.277 154 HG22 VAL 21 HG22 VAL 21 4.652 -2.433 6.725 155 HG23 VAL 21 HG23 VAL 21 3.524 -1.735 7.888 156 H LEU 22 H LEU 22 2.074 -4.892 10.208 157 HA LEU 22 HA LEU 22 1.798 -7.660 9.493 158 HB2 LEU 22 HB2 LEU 22 2.836 -8.084 11.425 159 HB3 LEU 22 HB3 LEU 22 3.154 -6.366 11.446 160 HG LEU 22 HG LEU 22 0.948 -6.186 12.784 161 HD11 LEU 22 HD11 LEU 22 1.360 -9.099 12.617 162 HD12 LEU 22 HD12 LEU 22 -0.120 -8.171 12.856 163 HD13 LEU 22 HD13 LEU 22 0.965 -8.466 14.215 164 HD21 LEU 22 HD21 LEU 22 3.536 -6.196 13.490 165 HD22 LEU 22 HD22 LEU 22 2.967 -7.582 14.420 166 HD23 LEU 22 HD23 LEU 22 2.216 -6.002 14.643 167 H ASP 23 H ASP 23 -0.346 -5.192 10.670 168 HA ASP 23 HA ASP 23 -2.253 -6.551 12.077 169 HB2 ASP 23 HB2 ASP 23 -2.114 -4.084 10.760 170 HB3 ASP 23 HB3 ASP 23 -3.546 -4.866 10.107 171 H ASP 24 H ASP 24 -2.416 -8.700 11.399 172 HA ASP 24 HA ASP 24 -3.167 -9.413 8.737 173 HB2 ASP 24 HB2 ASP 24 -3.414 -11.683 9.641 174 HB3 ASP 24 HB3 ASP 24 -1.899 -10.949 10.160 175 H THR 25 H THR 25 -4.922 -8.138 11.318 176 HA THR 25 HA THR 25 -7.378 -9.526 10.973 177 HB THR 25 HB THR 25 -6.842 -8.308 13.032 178 HG1 THR 25 HG1 THR 25 -8.868 -7.751 13.344 179 HG21 THR 25 HG21 THR 25 -7.542 -5.669 12.012 180 HG22 THR 25 HG22 THR 25 -5.976 -6.262 11.457 181 HG23 THR 25 HG23 THR 25 -6.315 -6.151 13.184 182 H LYS 26 H LYS 26 -5.793 -7.273 9.021 183 HA LYS 26 HA LYS 26 -8.149 -7.002 7.353 184 HB2 LYS 26 HB2 LYS 26 -7.507 -4.454 7.154 185 HB3 LYS 26 HB3 LYS 26 -8.594 -5.013 8.417 186 HG2 LYS 26 HG2 LYS 26 -6.654 -5.101 9.965 187 HG3 LYS 26 HG3 LYS 26 -5.663 -4.387 8.692 188 HD2 LYS 26 HD2 LYS 26 -7.813 -2.692 8.780 189 HD3 LYS 26 HD3 LYS 26 -7.622 -3.144 10.475 190 HE2 LYS 26 HE2 LYS 26 -5.204 -2.376 8.915 191 HE3 LYS 26 HE3 LYS 26 -6.308 -1.106 9.440 192 HZ1 LYS 26 HZ1 LYS 26 -5.734 -1.372 11.586 193 HZ2 LYS 26 HZ2 LYS 26 -4.316 -2.023 10.935 194 HZ3 LYS 26 HZ3 LYS 26 -5.552 -3.049 11.463 195 H ASP 27 H ASP 27 -7.559 -5.779 5.282 196 HA ASP 27 HA ASP 27 -5.139 -6.960 4.245 197 HB2 ASP 27 HB2 ASP 27 -7.475 -5.503 3.071 198 HB3 ASP 27 HB3 ASP 27 -5.993 -5.644 2.129 199 H VAL 28 H VAL 28 -3.221 -5.984 4.072 200 HA VAL 28 HA VAL 28 -3.131 -3.059 4.407 201 HB VAL 28 HB VAL 28 -0.998 -5.095 5.071 202 HG11 VAL 28 HG11 VAL 28 -0.295 -2.772 6.319 203 HG12 VAL 28 HG12 VAL 28 -0.950 -2.180 4.794 204 HG13 VAL 28 HG13 VAL 28 0.375 -3.344 4.791 205 HG21 VAL 28 HG21 VAL 28 -2.450 -3.346 7.023 206 HG22 VAL 28 HG22 VAL 28 -1.528 -4.819 7.324 207 HG23 VAL 28 HG23 VAL 28 -3.103 -4.909 6.535 208 H LEU 29 H LEU 29 -1.848 -1.827 3.087 209 HA LEU 29 HA LEU 29 -0.513 -3.176 0.846 210 HB2 LEU 29 HB2 LEU 29 -2.895 -1.632 0.687 211 HB3 LEU 29 HB3 LEU 29 -1.613 -0.700 -0.062 212 HG LEU 29 HG LEU 29 -2.520 -3.473 -0.829 213 HD11 LEU 29 HD11 LEU 29 -2.797 -2.156 -3.053 214 HD12 LEU 29 HD12 LEU 29 -2.834 -0.744 -1.997 215 HD13 LEU 29 HD13 LEU 29 -4.029 -2.026 -1.798 216 HD21 LEU 29 HD21 LEU 29 -0.644 -3.814 -1.993 217 HD22 LEU 29 HD22 LEU 29 0.064 -2.539 -1.003 218 HD23 LEU 29 HD23 LEU 29 -0.608 -2.154 -2.587 219 H ILE 30 H ILE 30 1.547 -2.740 1.466 220 HA ILE 30 HA ILE 30 2.245 0.023 2.159 221 HB ILE 30 HB ILE 30 3.005 -1.623 3.759 222 HG12 ILE 30 HG12 ILE 30 5.375 -1.082 3.829 223 HG13 ILE 30 HG13 ILE 30 5.362 -0.668 2.118 224 HG21 ILE 30 HG21 ILE 30 4.408 -2.923 1.431 225 HG22 ILE 30 HG22 ILE 30 3.071 -3.587 2.370 226 HG23 ILE 30 HG23 ILE 30 4.648 -3.355 3.123 227 HD11 ILE 30 HD11 ILE 30 4.739 1.407 2.560 228 HD12 ILE 30 HD12 ILE 30 5.001 1.048 4.267 229 HD13 ILE 30 HD13 ILE 30 3.395 0.858 3.562 230 H GLU 31 H GLU 31 3.304 1.294 0.788 231 HA GLU 31 HA GLU 31 4.691 0.050 -1.498 232 HB2 GLU 31 HB2 GLU 31 2.410 1.495 -1.751 233 HB3 GLU 31 HB3 GLU 31 3.606 2.777 -1.871 234 HG2 GLU 31 HG2 GLU 31 3.883 0.305 -3.523 235 HG3 GLU 31 HG3 GLU 31 2.778 1.589 -4.013 236 H PHE 32 H PHE 32 6.809 0.376 -1.276 237 HA PHE 32 HA PHE 32 7.745 2.717 0.197 238 HB2 PHE 32 HB2 PHE 32 9.539 0.571 -0.902 239 HB3 PHE 32 HB3 PHE 32 9.799 1.622 0.482 240 HD1 PHE 32 HD2 PHE 32 7.790 -1.247 -0.726 241 HD2 PHE 32 HD1 PHE 32 9.175 0.964 2.636 242 HE1 PHE 32 HE2 PHE 32 6.939 -3.001 0.773 243 HE2 PHE 32 HE1 PHE 32 8.327 -0.787 4.141 244 HZ PHE 32 HZ PHE 32 7.207 -2.773 3.210 245 H TYR 33 H TYR 33 9.208 4.212 -0.621 246 HA TYR 33 HA TYR 33 10.133 4.098 -3.333 247 HB2 TYR 33 HB2 TYR 33 8.918 6.103 -4.110 248 HB3 TYR 33 HB3 TYR 33 7.824 4.769 -3.754 249 HD1 TYR 33 HD2 TYR 33 6.896 4.778 -1.258 250 HD2 TYR 33 HD1 TYR 33 8.353 8.200 -3.323 251 HE1 TYR 33 HE2 TYR 33 5.610 6.230 0.254 252 HE2 TYR 33 HE1 TYR 33 7.072 9.661 -1.817 253 HH TYR 33 HH TYR 33 5.820 8.693 1.061 254 H ALA 34 H ALA 34 11.119 6.319 -3.940 255 HA ALA 34 HA ALA 34 12.416 7.414 -1.530 256 HB1 ALA 34 HB1 ALA 34 14.264 6.637 -2.545 257 HB2 ALA 34 HB2 ALA 34 14.115 8.089 -3.536 258 HB3 ALA 34 HB3 ALA 34 13.484 6.550 -4.124 259 HA PRO 35 HA PRO 35 10.639 11.318 -2.634 260 HB2 PRO 35 HB2 PRO 35 12.224 12.968 -1.196 261 HB3 PRO 35 HB3 PRO 35 11.016 11.918 -0.446 262 HG2 PRO 35 HG2 PRO 35 13.971 11.522 -0.708 263 HG3 PRO 35 HG3 PRO 35 12.919 11.215 0.687 264 HD2 PRO 35 HD2 PRO 35 13.772 9.251 -0.993 265 HD3 PRO 35 HD3 PRO 35 12.225 9.181 -0.127 266 H TRP 36 H TRP 36 13.715 10.330 -3.606 267 HA TRP 36 HA TRP 36 14.162 12.809 -5.123 268 HB2 TRP 36 HB2 TRP 36 16.469 11.582 -5.525 269 HB3 TRP 36 HB3 TRP 36 16.169 12.486 -4.046 270 HD1 TRP 36 HD1 TRP 36 15.473 10.948 -1.846 271 HE1 TRP 36 HE1 TRP 36 16.274 8.590 -1.196 272 HE3 TRP 36 HE3 TRP 36 17.213 9.401 -6.397 273 HZ2 TRP 36 HZ2 TRP 36 17.487 6.370 -2.448 274 HZ3 TRP 36 HZ3 TRP 36 18.179 7.146 -6.586 275 HH2 TRP 36 HH2 TRP 36 18.313 5.663 -4.650 276 H CYS 37 H CYS 37 13.536 9.404 -5.384 277 HA CYS 37 HA CYS 37 14.224 9.137 -8.138 278 HB2 CYS 37 HB2 CYS 37 14.024 7.255 -6.449 279 HB3 CYS 37 HB3 CYS 37 12.277 7.417 -6.597 280 HG CYS 37 HG CYS 37 13.244 6.983 -9.328 281 H GLY 38 H GLY 38 12.924 9.185 -9.952 282 HA2 GLY 38 HA2 GLY 38 10.594 10.877 -9.757 283 HA3 GLY 38 HA3 GLY 38 11.307 10.246 -11.234 284 H HIS 39 H HIS 39 11.171 7.484 -9.895 285 HA HIS 39 HA HIS 39 8.879 6.560 -11.169 286 HB2 HIS 39 HB2 HIS 39 10.892 5.464 -9.358 287 HB3 HIS 39 HB3 HIS 39 9.314 4.709 -9.157 288 HD1 HIS 39 HD1 HIS 39 8.346 3.435 -11.233 289 HD2 HIS 39 HD2 HIS 39 12.240 4.811 -11.687 290 HE1 HIS 39 HE1 HIS 39 9.255 2.229 -13.244 291 HE2 HIS 39 HE2 HIS 39 11.583 3.140 -13.549 292 H CYS 40 H CYS 40 9.318 7.795 -7.923 293 HA CYS 40 HA CYS 40 6.813 6.894 -6.909 294 HB2 CYS 40 HB2 CYS 40 7.268 8.270 -4.998 295 HB3 CYS 40 HB3 CYS 40 8.784 7.529 -5.496 296 HG CYS 40 HG CYS 40 8.692 10.288 -4.971 297 H LYS 41 H LYS 41 7.874 9.710 -8.674 298 HA LYS 41 HA LYS 41 5.730 11.432 -8.154 299 HB2 LYS 41 HB2 LYS 41 7.458 11.155 -10.617 300 HB3 LYS 41 HB3 LYS 41 6.332 12.478 -10.350 301 HG2 LYS 41 HG2 LYS 41 7.588 13.345 -8.580 302 HG3 LYS 41 HG3 LYS 41 8.506 11.851 -8.385 303 HD2 LYS 41 HD2 LYS 41 9.419 12.273 -10.713 304 HD3 LYS 41 HD3 LYS 41 8.713 13.886 -10.592 305 HE2 LYS 41 HE2 LYS 41 10.012 14.122 -8.420 306 HE3 LYS 41 HE3 LYS 41 10.883 12.668 -8.904 307 HZ1 LYS 41 HZ1 LYS 41 12.239 14.163 -9.863 308 HZ2 LYS 41 HZ2 LYS 41 11.055 15.367 -9.957 309 HZ3 LYS 41 HZ3 LYS 41 11.099 14.133 -11.113 310 H ALA 42 H ALA 42 6.142 8.921 -10.615 311 HA ALA 42 HA ALA 42 3.601 9.417 -11.846 312 HB1 ALA 42 HB1 ALA 42 4.860 6.778 -12.224 313 HB2 ALA 42 HB2 ALA 42 5.836 8.172 -12.685 314 HB3 ALA 42 HB3 ALA 42 4.249 7.928 -13.413 315 H LEU 43 H LEU 43 4.829 7.235 -9.385 316 HA LEU 43 HA LEU 43 2.348 5.753 -9.225 317 HB2 LEU 43 HB2 LEU 43 5.024 5.309 -8.467 318 HB3 LEU 43 HB3 LEU 43 4.100 5.335 -6.978 319 HG LEU 43 HG LEU 43 4.405 3.065 -7.986 320 HD11 LEU 43 HD11 LEU 43 2.090 2.366 -7.637 321 HD12 LEU 43 HD12 LEU 43 1.569 4.048 -7.721 322 HD13 LEU 43 HD13 LEU 43 2.613 3.513 -6.404 323 HD21 LEU 43 HD21 LEU 43 3.698 2.517 -10.048 324 HD22 LEU 43 HD22 LEU 43 3.827 4.249 -10.349 325 HD23 LEU 43 HD23 LEU 43 2.265 3.539 -9.942 326 H ALA 44 H ALA 44 3.329 8.728 -8.131 327 HA ALA 44 HA ALA 44 2.315 8.738 -5.485 328 HB1 ALA 44 HB1 ALA 44 3.678 10.531 -7.140 329 HB2 ALA 44 HB2 ALA 44 3.233 10.759 -5.449 330 HB3 ALA 44 HB3 ALA 44 2.160 11.329 -6.727 331 HA PRO 45 HA PRO 45 -1.658 10.743 -7.335 332 HB2 PRO 45 HB2 PRO 45 -1.974 10.722 -10.031 333 HB3 PRO 45 HB3 PRO 45 -1.178 12.041 -9.166 334 HG2 PRO 45 HG2 PRO 45 0.038 9.741 -10.645 335 HG3 PRO 45 HG3 PRO 45 0.514 11.449 -10.646 336 HD2 PRO 45 HD2 PRO 45 1.809 9.577 -9.182 337 HD3 PRO 45 HD3 PRO 45 1.652 11.263 -8.650 338 H LYS 46 H LYS 46 -0.364 8.019 -9.187 339 HA LYS 46 HA LYS 46 -2.862 6.785 -9.705 340 HB2 LYS 46 HB2 LYS 46 -0.108 5.544 -9.565 341 HB3 LYS 46 HB3 LYS 46 -1.532 4.798 -10.278 342 HG2 LYS 46 HG2 LYS 46 -0.166 7.304 -11.239 343 HG3 LYS 46 HG3 LYS 46 -0.094 5.711 -11.996 344 HD2 LYS 46 HD2 LYS 46 -2.772 6.081 -11.851 345 HD3 LYS 46 HD3 LYS 46 -2.222 7.745 -12.055 346 HE2 LYS 46 HE2 LYS 46 -1.287 7.319 -14.129 347 HE3 LYS 46 HE3 LYS 46 -1.143 5.589 -13.821 348 HZ1 LYS 46 HZ1 LYS 46 -3.630 7.101 -14.400 349 HZ2 LYS 46 HZ2 LYS 46 -3.607 5.483 -13.907 350 HZ3 LYS 46 HZ3 LYS 46 -2.894 5.929 -15.375 351 H TYR 47 H TYR 47 -0.309 5.927 -7.362 352 HA TYR 47 HA TYR 47 -1.831 3.968 -6.029 353 HB2 TYR 47 HB2 TYR 47 0.733 4.476 -5.963 354 HB3 TYR 47 HB3 TYR 47 0.304 5.538 -4.626 355 HD1 TYR 47 HD1 TYR 47 -0.192 2.025 -5.789 356 HD2 TYR 47 HD2 TYR 47 0.242 4.666 -2.482 357 HE1 TYR 47 HE1 TYR 47 -0.170 0.099 -4.261 358 HE2 TYR 47 HE2 TYR 47 0.266 2.747 -0.945 359 HH TYR 47 HH TYR 47 -0.730 -0.294 -1.788 360 H GLU 48 H GLU 48 -1.619 7.430 -5.673 361 HA GLU 48 HA GLU 48 -2.842 7.584 -3.109 362 HB2 GLU 48 HB2 GLU 48 -1.473 9.407 -3.995 363 HB3 GLU 48 HB3 GLU 48 -2.626 9.658 -5.299 364 HG2 GLU 48 HG2 GLU 48 -4.178 9.842 -3.031 365 HG3 GLU 48 HG3 GLU 48 -2.666 10.616 -2.561 366 H GLU 49 H GLU 49 -4.053 7.559 -6.409 367 HA GLU 49 HA GLU 49 -6.699 8.365 -5.796 368 HB2 GLU 49 HB2 GLU 49 -5.362 8.076 -8.097 369 HB3 GLU 49 HB3 GLU 49 -6.223 6.543 -8.096 370 HG2 GLU 49 HG2 GLU 49 -8.215 8.285 -7.473 371 HG3 GLU 49 HG3 GLU 49 -7.208 9.260 -8.542 372 H LEU 50 H LEU 50 -5.512 5.124 -6.713 373 HA LEU 50 HA LEU 50 -7.820 3.729 -6.006 374 HB2 LEU 50 HB2 LEU 50 -6.048 2.774 -7.388 375 HB3 LEU 50 HB3 LEU 50 -4.953 2.780 -6.020 376 HG LEU 50 HG LEU 50 -6.023 0.554 -6.671 377 HD11 LEU 50 HD11 LEU 50 -5.599 -0.180 -4.591 378 HD12 LEU 50 HD12 LEU 50 -6.686 0.989 -3.842 379 HD13 LEU 50 HD13 LEU 50 -5.062 1.478 -4.324 380 HD21 LEU 50 HD21 LEU 50 -8.324 1.646 -6.867 381 HD22 LEU 50 HD22 LEU 50 -8.372 1.575 -5.106 382 HD23 LEU 50 HD23 LEU 50 -8.230 0.089 -6.045 383 H GLY 51 H GLY 51 -5.126 4.821 -4.066 384 HA2 GLY 51 HA2 GLY 51 -5.424 3.245 -1.797 385 HA3 GLY 51 HA3 GLY 51 -4.838 4.901 -1.794 386 H ALA 52 H ALA 52 -6.671 6.565 -2.098 387 HA ALA 52 HA ALA 52 -8.414 6.326 0.111 388 HB1 ALA 52 HB1 ALA 52 -7.560 8.477 -0.718 389 HB2 ALA 52 HB2 ALA 52 -9.319 8.462 -0.590 390 HB3 ALA 52 HB3 ALA 52 -8.548 8.295 -2.167 391 H LEU 53 H LEU 53 -8.716 5.436 -3.217 392 HA LEU 53 HA LEU 53 -11.411 5.572 -3.713 393 HB2 LEU 53 HB2 LEU 53 -9.234 3.742 -4.565 394 HB3 LEU 53 HB3 LEU 53 -10.872 3.220 -4.891 395 HG LEU 53 HG LEU 53 -9.400 5.585 -6.008 396 HD11 LEU 53 HD11 LEU 53 -9.738 3.063 -6.937 397 HD12 LEU 53 HD12 LEU 53 -9.475 4.479 -7.955 398 HD13 LEU 53 HD13 LEU 53 -11.112 3.887 -7.675 399 HD21 LEU 53 HD21 LEU 53 -11.819 5.853 -7.134 400 HD22 LEU 53 HD22 LEU 53 -11.299 6.764 -5.716 401 HD23 LEU 53 HD23 LEU 53 -12.296 5.322 -5.521 402 H TYR 54 H TYR 54 -9.858 2.543 -2.636 403 HA TYR 54 HA TYR 54 -12.399 1.598 -1.605 404 HB2 TYR 54 HB2 TYR 54 -9.661 0.315 -1.666 405 HB3 TYR 54 HB3 TYR 54 -11.115 -0.475 -1.070 406 HD1 TYR 54 HD2 TYR 54 -12.667 1.136 -3.478 407 HD2 TYR 54 HD1 TYR 54 -9.496 -1.686 -3.183 408 HE1 TYR 54 HE2 TYR 54 -13.165 0.347 -5.752 409 HE2 TYR 54 HE1 TYR 54 -9.987 -2.482 -5.455 410 HH TYR 54 HH TYR 54 -12.606 -2.189 -6.984 411 H ALA 55 H ALA 55 -9.397 2.853 -0.350 412 HA ALA 55 HA ALA 55 -9.409 2.016 2.251 413 HB1 ALA 55 HB1 ALA 55 -8.332 4.194 2.810 414 HB2 ALA 55 HB2 ALA 55 -8.694 4.732 1.171 415 HB3 ALA 55 HB3 ALA 55 -7.616 3.361 1.430 416 H LYS 56 H LYS 56 -11.640 4.235 0.743 417 HA LYS 56 HA LYS 56 -12.993 4.506 3.341 418 HB2 LYS 56 HB2 LYS 56 -11.941 6.584 1.648 419 HB3 LYS 56 HB3 LYS 56 -13.679 6.772 1.832 420 HG2 LYS 56 HG2 LYS 56 -13.515 7.375 3.984 421 HG3 LYS 56 HG3 LYS 56 -12.241 6.201 4.323 422 HD2 LYS 56 HD2 LYS 56 -11.342 8.415 4.593 423 HD3 LYS 56 HD3 LYS 56 -10.634 7.689 3.148 424 HE2 LYS 56 HE2 LYS 56 -11.934 9.006 1.712 425 HE3 LYS 56 HE3 LYS 56 -13.067 9.439 2.992 426 HZ1 LYS 56 HZ1 LYS 56 -10.495 10.604 2.322 427 HZ2 LYS 56 HZ2 LYS 56 -10.805 10.432 3.976 428 HZ3 LYS 56 HZ3 LYS 56 -11.866 11.323 3.005 429 H SER 57 H SER 57 -13.343 4.055 -0.126 430 HA SER 57 HA SER 57 -16.195 4.376 -0.075 431 HB2 SER 57 HB2 SER 57 -14.490 3.151 -2.245 432 HB3 SER 57 HB3 SER 57 -16.147 3.732 -2.407 433 HG SER 57 HG SER 57 -15.463 5.788 -2.243 434 H GLU 58 H GLU 58 -14.174 1.482 -0.746 435 HA GLU 58 HA GLU 58 -16.531 -0.171 -0.260 436 HB2 GLU 58 HB2 GLU 58 -13.928 -0.580 -1.646 437 HB3 GLU 58 HB3 GLU 58 -14.779 -1.989 -1.028 438 HG2 GLU 58 HG2 GLU 58 -16.424 -0.111 -2.574 439 HG3 GLU 58 HG3 GLU 58 -15.152 -0.930 -3.480 440 H PHE 59 H PHE 59 -13.090 -0.367 0.660 441 HA PHE 59 HA PHE 59 -13.889 -1.928 3.008 442 HB2 PHE 59 HB2 PHE 59 -11.394 -1.729 1.386 443 HB3 PHE 59 HB3 PHE 59 -11.256 -2.192 3.078 444 HD1 PHE 59 HD1 PHE 59 -13.748 -3.022 0.432 445 HD2 PHE 59 HD2 PHE 59 -10.865 -4.450 3.217 446 HE1 PHE 59 HE1 PHE 59 -14.332 -5.338 -0.158 447 HE2 PHE 59 HE2 PHE 59 -11.442 -6.769 2.631 448 HZ PHE 59 HZ PHE 59 -13.178 -7.215 0.942 449 H LYS 60 H LYS 60 -14.392 0.814 3.066 450 HA LYS 60 HA LYS 60 -12.607 2.555 4.093 451 HB2 LYS 60 HB2 LYS 60 -14.495 3.509 5.427 452 HB3 LYS 60 HB3 LYS 60 -14.852 3.220 3.730 453 HG2 LYS 60 HG2 LYS 60 -16.103 1.255 4.252 454 HG3 LYS 60 HG3 LYS 60 -15.610 1.334 5.945 455 HD2 LYS 60 HD2 LYS 60 -16.716 3.799 5.575 456 HD3 LYS 60 HD3 LYS 60 -17.716 2.798 4.520 457 HE2 LYS 60 HE2 LYS 60 -18.184 1.290 6.377 458 HE3 LYS 60 HE3 LYS 60 -17.153 2.254 7.434 459 HZ1 LYS 60 HZ1 LYS 60 -18.799 4.132 6.601 460 HZ2 LYS 60 HZ2 LYS 60 -19.141 3.168 7.947 461 HZ3 LYS 60 HZ3 LYS 60 -19.841 2.807 6.451 462 H ASP 61 H ASP 61 -14.188 -0.038 5.908 463 HA ASP 61 HA ASP 61 -12.309 0.484 8.119 464 HB2 ASP 61 HB2 ASP 61 -15.191 -0.336 8.127 465 HB3 ASP 61 HB3 ASP 61 -14.145 -0.842 9.450 466 H ARG 62 H ARG 62 -11.698 -1.133 5.844 467 HA ARG 62 HA ARG 62 -11.203 -3.655 7.230 468 HB2 ARG 62 HB2 ARG 62 -12.725 -3.366 4.667 469 HB3 ARG 62 HB3 ARG 62 -11.770 -4.812 4.964 470 HG2 ARG 62 HG2 ARG 62 -13.732 -3.883 7.012 471 HG3 ARG 62 HG3 ARG 62 -14.286 -4.768 5.589 472 HD2 ARG 62 HD2 ARG 62 -12.291 -6.375 6.297 473 HD3 ARG 62 HD3 ARG 62 -12.635 -5.682 7.881 474 HE ARG 62 HE ARG 62 -14.266 -7.532 6.403 475 HH11 ARG 62 HH11 ARG 62 -14.252 -5.072 8.880 476 HH12 ARG 62 HH12 ARG 62 -15.690 -5.660 9.646 477 HH21 ARG 62 HH21 ARG 62 -16.158 -8.304 7.410 478 HH22 ARG 62 HH22 ARG 62 -16.772 -7.494 8.812 479 H VAL 63 H VAL 63 -10.387 -1.418 4.652 480 HA VAL 63 HA VAL 63 -7.851 -2.875 4.293 481 HB VAL 63 HB VAL 63 -9.353 -2.762 2.269 482 HG11 VAL 63 HG11 VAL 63 -8.515 0.127 2.156 483 HG12 VAL 63 HG12 VAL 63 -10.100 -0.404 2.716 484 HG13 VAL 63 HG13 VAL 63 -9.595 -0.731 1.058 485 HG21 VAL 63 HG21 VAL 63 -6.649 -1.450 2.014 486 HG22 VAL 63 HG22 VAL 63 -7.531 -2.283 0.734 487 HG23 VAL 63 HG23 VAL 63 -6.940 -3.186 2.129 488 H VAL 64 H VAL 64 -5.940 -1.653 3.988 489 HA VAL 64 HA VAL 64 -6.054 1.194 4.628 490 HB VAL 64 HB VAL 64 -4.241 -0.680 6.151 491 HG11 VAL 64 HG11 VAL 64 -4.885 2.189 6.769 492 HG12 VAL 64 HG12 VAL 64 -3.544 1.727 5.720 493 HG13 VAL 64 HG13 VAL 64 -3.572 1.197 7.402 494 HG21 VAL 64 HG21 VAL 64 -5.817 0.259 8.069 495 HG22 VAL 64 HG22 VAL 64 -6.209 -1.208 7.173 496 HG23 VAL 64 HG23 VAL 64 -6.973 0.321 6.739 497 H ILE 65 H ILE 65 -5.123 1.975 2.833 498 HA ILE 65 HA ILE 65 -2.668 0.694 1.843 499 HB ILE 65 HB ILE 65 -4.411 2.710 0.422 500 HG12 ILE 65 HG12 ILE 65 -4.274 -0.291 0.057 501 HG13 ILE 65 HG13 ILE 65 -5.590 0.572 0.845 502 HG21 ILE 65 HG21 ILE 65 -3.103 1.514 -1.546 503 HG22 ILE 65 HG22 ILE 65 -1.913 1.262 -0.268 504 HG23 ILE 65 HG23 ILE 65 -2.428 2.897 -0.684 505 HD11 ILE 65 HD11 ILE 65 -5.855 -0.149 -1.607 506 HD12 ILE 65 HD12 ILE 65 -4.810 1.226 -1.963 507 HD13 ILE 65 HD13 ILE 65 -6.351 1.478 -1.142 508 H ALA 66 H ALA 66 -0.848 1.607 2.531 509 HA ALA 66 HA ALA 66 -0.754 4.542 2.742 510 HB1 ALA 66 HB1 ALA 66 1.054 3.907 4.582 511 HB2 ALA 66 HB2 ALA 66 0.029 2.479 4.718 512 HB3 ALA 66 HB3 ALA 66 -0.657 4.083 4.965 513 H LYS 67 H LYS 67 1.458 5.433 2.639 514 HA LYS 67 HA LYS 67 3.267 3.770 1.020 515 HB2 LYS 67 HB2 LYS 67 3.768 5.679 -0.401 516 HB3 LYS 67 HB3 LYS 67 2.044 5.335 -0.438 517 HG2 LYS 67 HG2 LYS 67 2.088 7.145 1.536 518 HG3 LYS 67 HG3 LYS 67 3.490 7.682 0.608 519 HD2 LYS 67 HD2 LYS 67 0.782 7.166 -0.608 520 HD3 LYS 67 HD3 LYS 67 1.310 8.750 -0.037 521 HE2 LYS 67 HE2 LYS 67 3.059 8.839 -1.639 522 HE3 LYS 67 HE3 LYS 67 2.851 7.140 -2.059 523 HZ1 LYS 67 HZ1 LYS 67 1.667 8.000 -3.744 524 HZ2 LYS 67 HZ2 LYS 67 1.362 9.462 -2.950 525 HZ3 LYS 67 HZ3 LYS 67 0.424 8.099 -2.600 526 H VAL 68 H VAL 68 5.255 3.659 1.820 527 HA VAL 68 HA VAL 68 6.123 5.753 3.702 528 HB VAL 68 HB VAL 68 5.786 3.509 4.729 529 HG11 VAL 68 HG11 VAL 68 6.594 2.319 2.602 530 HG12 VAL 68 HG12 VAL 68 7.057 1.638 4.161 531 HG13 VAL 68 HG13 VAL 68 8.217 2.590 3.234 532 HG21 VAL 68 HG21 VAL 68 8.717 4.090 4.798 533 HG22 VAL 68 HG22 VAL 68 7.624 3.675 6.118 534 HG23 VAL 68 HG23 VAL 68 7.566 5.284 5.398 535 H ASP 69 H ASP 69 8.494 6.097 3.798 536 HA ASP 69 HA ASP 69 9.672 5.834 1.114 537 HB2 ASP 69 HB2 ASP 69 11.168 7.741 2.529 538 HB3 ASP 69 HB3 ASP 69 10.018 8.041 1.233 539 H ALA 70 H ALA 70 11.853 5.281 0.893 540 HA ALA 70 HA ALA 70 12.814 3.483 2.935 541 HB1 ALA 70 HB1 ALA 70 12.891 3.058 0.437 542 HB2 ALA 70 HB2 ALA 70 14.364 2.714 1.344 543 HB3 ALA 70 HB3 ALA 70 14.241 4.192 0.391 544 H THR 71 H THR 71 13.016 6.720 2.701 545 HA THR 71 HA THR 71 15.753 7.279 3.005 546 HB THR 71 HB THR 71 15.076 9.468 3.710 547 HG1 THR 71 HG1 THR 71 12.557 8.279 4.221 548 HG21 THR 71 HG21 THR 71 14.545 9.705 1.556 549 HG22 THR 71 HG22 THR 71 12.879 9.668 2.135 550 HG23 THR 71 HG23 THR 71 13.629 8.199 1.511 551 H ALA 72 H ALA 72 13.211 6.742 5.468 552 HA ALA 72 HA ALA 72 15.101 5.683 7.306 553 HB1 ALA 72 HB1 ALA 72 15.555 8.188 7.368 554 HB2 ALA 72 HB2 ALA 72 15.282 7.379 8.912 555 HB3 ALA 72 HB3 ALA 72 13.994 8.333 8.176 556 H ASN 73 H ASN 73 13.853 4.067 7.976 557 HA ASN 73 HA ASN 73 11.862 4.346 9.849 558 HB2 ASN 73 HB2 ASN 73 9.941 3.424 8.230 559 HB3 ASN 73 HB3 ASN 73 10.162 5.140 8.551 560 HD21 ASN 73 HD21 ASN 73 10.253 6.406 6.864 561 HD22 ASN 73 HD22 ASN 73 10.661 5.935 5.253 562 H ASP 74 H ASP 74 10.318 2.198 9.716 563 HA ASP 74 HA ASP 74 11.960 0.063 10.303 564 HB2 ASP 74 HB2 ASP 74 9.131 0.515 10.028 565 HB3 ASP 74 HB3 ASP 74 9.546 -1.056 9.352 566 H VAL 75 H VAL 75 9.748 -0.271 7.556 567 HA VAL 75 HA VAL 75 9.974 -1.505 5.639 568 HB VAL 75 HB VAL 75 10.807 0.686 4.958 569 HG11 VAL 75 HG11 VAL 75 12.631 1.120 6.360 570 HG12 VAL 75 HG12 VAL 75 13.337 0.932 4.755 571 HG13 VAL 75 HG13 VAL 75 13.440 -0.384 5.924 572 HG21 VAL 75 HG21 VAL 75 10.934 -1.520 3.517 573 HG22 VAL 75 HG22 VAL 75 12.665 -1.190 3.587 574 HG23 VAL 75 HG23 VAL 75 11.565 0.011 2.909 575 HA PRO 76 HA PRO 76 13.378 -4.273 7.496 576 HB2 PRO 76 HB2 PRO 76 11.720 -6.317 8.221 577 HB3 PRO 76 HB3 PRO 76 12.180 -5.001 9.308 578 HG2 PRO 76 HG2 PRO 76 9.682 -5.341 7.694 579 HG3 PRO 76 HG3 PRO 76 9.865 -4.786 9.369 580 HD2 PRO 76 HD2 PRO 76 9.467 -3.067 7.335 581 HD3 PRO 76 HD3 PRO 76 10.489 -2.654 8.727 582 H ASP 77 H ASP 77 10.611 -4.729 5.400 583 HA ASP 77 HA ASP 77 11.220 -7.192 4.266 584 HB2 ASP 77 HB2 ASP 77 10.030 -4.847 2.778 585 HB3 ASP 77 HB3 ASP 77 9.800 -6.558 2.434 586 H GLU 78 H GLU 78 11.784 -7.340 1.796 587 HA GLU 78 HA GLU 78 14.435 -6.135 1.517 588 HB2 GLU 78 HB2 GLU 78 13.617 -8.708 1.179 589 HB3 GLU 78 HB3 GLU 78 13.546 -8.119 -0.476 590 HG2 GLU 78 HG2 GLU 78 15.752 -8.173 -0.687 591 HG3 GLU 78 HG3 GLU 78 15.994 -7.318 0.835 592 H ILE 79 H ILE 79 15.035 -4.876 -0.196 593 HA ILE 79 HA ILE 79 13.094 -4.351 -2.319 594 HB ILE 79 HB ILE 79 14.126 -2.315 -0.369 595 HG12 ILE 79 HG12 ILE 79 11.467 -2.045 -1.595 596 HG13 ILE 79 HG13 ILE 79 11.696 -3.528 -0.667 597 HG21 ILE 79 HG21 ILE 79 13.381 -0.538 -1.949 598 HG22 ILE 79 HG22 ILE 79 13.280 -1.770 -3.206 599 HG23 ILE 79 HG23 ILE 79 14.834 -1.397 -2.460 600 HD11 ILE 79 HD11 ILE 79 12.113 -2.345 1.309 601 HD12 ILE 79 HD12 ILE 79 10.750 -1.520 0.552 602 HD13 ILE 79 HD13 ILE 79 12.369 -0.830 0.443 603 H GLN 80 H GLN 80 14.055 -4.265 -4.248 604 HA GLN 80 HA GLN 80 16.919 -4.413 -4.472 605 HB2 GLN 80 HB2 GLN 80 14.612 -4.481 -6.381 606 HB3 GLN 80 HB3 GLN 80 16.229 -4.185 -7.007 607 HG2 GLN 80 HG2 GLN 80 16.974 -6.291 -6.466 608 HG3 GLN 80 HG3 GLN 80 15.764 -6.508 -5.202 609 HE21 GLN 80 HE22 GLN 80 13.665 -7.108 -5.773 610 HE22 GLN 80 HE32 GLN 80 13.301 -7.798 -7.314 611 H GLY 81 H GLY 81 14.443 -2.025 -4.762 612 HA2 GLY 81 HA2 GLY 81 16.437 0.098 -4.958 613 HA3 GLY 81 HA3 GLY 81 15.199 0.042 -6.214 614 H PHE 82 H PHE 82 12.976 0.180 -5.575 615 HA PHE 82 HA PHE 82 12.152 0.669 -2.955 616 HB2 PHE 82 HB2 PHE 82 11.746 3.138 -4.535 617 HB3 PHE 82 HB3 PHE 82 11.682 2.847 -2.787 618 HD1 PHE 82 HD2 PHE 82 13.967 3.308 -5.654 619 HD2 PHE 82 HD1 PHE 82 13.592 3.171 -1.421 620 HE1 PHE 82 HE2 PHE 82 16.253 4.188 -5.429 621 HE2 PHE 82 HE1 PHE 82 15.877 4.052 -1.184 622 HZ PHE 82 HZ PHE 82 17.212 4.560 -3.191 623 HA PRO 83 HA PRO 83 8.566 1.954 -5.946 624 HB2 PRO 83 HB2 PRO 83 9.236 0.671 -8.317 625 HB3 PRO 83 HB3 PRO 83 9.057 2.395 -8.023 626 HG2 PRO 83 HG2 PRO 83 11.524 0.748 -8.135 627 HG3 PRO 83 HG3 PRO 83 11.275 2.437 -8.625 628 HD2 PRO 83 HD2 PRO 83 12.521 1.862 -6.352 629 HD3 PRO 83 HD3 PRO 83 11.359 3.208 -6.428 630 H THR 84 H THR 84 8.453 0.429 -4.260 631 HA THR 84 HA THR 84 8.023 -2.346 -5.096 632 HB THR 84 HB THR 84 8.241 -2.595 -2.475 633 HG1 THR 84 HG1 THR 84 10.087 -0.629 -2.518 634 HG21 THR 84 HG21 THR 84 10.813 -1.966 -3.795 635 HG22 THR 84 HG22 THR 84 9.844 -3.316 -4.394 636 HG23 THR 84 HG23 THR 84 10.394 -3.301 -2.718 637 H ILE 85 H ILE 85 6.209 -3.425 -4.519 638 HA ILE 85 HA ILE 85 4.114 -1.996 -3.044 639 HB ILE 85 HB ILE 85 3.462 -3.491 -5.575 640 HG12 ILE 85 HG12 ILE 85 3.717 -0.489 -5.335 641 HG13 ILE 85 HG13 ILE 85 4.982 -1.513 -6.007 642 HG21 ILE 85 HG21 ILE 85 1.967 -1.613 -3.768 643 HG22 ILE 85 HG22 ILE 85 1.581 -3.285 -4.175 644 HG23 ILE 85 HG23 ILE 85 1.406 -2.020 -5.390 645 HD11 ILE 85 HD11 ILE 85 2.297 -0.847 -7.114 646 HD12 ILE 85 HD12 ILE 85 3.097 -2.346 -7.584 647 HD13 ILE 85 HD13 ILE 85 3.880 -0.795 -7.889 648 H LYS 86 H LYS 86 3.839 -3.292 -1.334 649 HA LYS 86 HA LYS 86 3.694 -6.196 -1.799 650 HB2 LYS 86 HB2 LYS 86 5.484 -5.158 -0.234 651 HB3 LYS 86 HB3 LYS 86 4.151 -4.951 0.894 652 HG2 LYS 86 HG2 LYS 86 4.151 -7.105 1.456 653 HG3 LYS 86 HG3 LYS 86 4.269 -7.632 -0.224 654 HD2 LYS 86 HD2 LYS 86 6.218 -8.359 1.040 655 HD3 LYS 86 HD3 LYS 86 6.680 -7.180 -0.188 656 HE2 LYS 86 HE2 LYS 86 6.001 -5.896 2.314 657 HE3 LYS 86 HE3 LYS 86 7.277 -7.094 2.529 658 HZ1 LYS 86 HZ1 LYS 86 8.049 -4.803 1.964 659 HZ2 LYS 86 HZ2 LYS 86 7.358 -4.999 0.433 660 HZ3 LYS 86 HZ3 LYS 86 8.618 -6.013 0.927 661 H LEU 87 H LEU 87 2.078 -7.404 -0.792 662 HA LEU 87 HA LEU 87 -0.143 -5.878 0.385 663 HB2 LEU 87 HB2 LEU 87 -0.637 -6.410 -1.983 664 HB3 LEU 87 HB3 LEU 87 -0.417 -8.112 -1.629 665 HG LEU 87 HG LEU 87 -2.810 -7.282 -1.773 666 HD11 LEU 87 HD11 LEU 87 -2.780 -8.405 0.879 667 HD12 LEU 87 HD12 LEU 87 -1.617 -9.219 -0.168 668 HD13 LEU 87 HD13 LEU 87 -3.311 -9.119 -0.644 669 HD21 LEU 87 HD21 LEU 87 -2.699 -6.402 1.028 670 HD22 LEU 87 HD22 LEU 87 -3.660 -5.794 -0.320 671 HD23 LEU 87 HD23 LEU 87 -1.980 -5.290 -0.137 672 H TYR 88 H TYR 88 -0.563 -6.598 2.356 673 HA TYR 88 HA TYR 88 0.276 -9.295 3.107 674 HB2 TYR 88 HB2 TYR 88 0.029 -6.739 4.482 675 HB3 TYR 88 HB3 TYR 88 -0.713 -8.054 5.388 676 HD1 TYR 88 HD1 TYR 88 2.443 -6.840 3.909 677 HD2 TYR 88 HD2 TYR 88 0.617 -9.728 6.444 678 HE1 TYR 88 HE1 TYR 88 4.662 -7.529 4.713 679 HE2 TYR 88 HE2 TYR 88 2.831 -10.424 7.256 680 HH TYR 88 HH TYR 88 5.737 -9.430 5.749 681 HA PRO 89 HA PRO 89 -4.115 -10.314 2.554 682 HB2 PRO 89 HB2 PRO 89 -3.773 -13.005 2.781 683 HB3 PRO 89 HB3 PRO 89 -3.480 -12.115 1.283 684 HG2 PRO 89 HG2 PRO 89 -1.522 -13.053 3.343 685 HG3 PRO 89 HG3 PRO 89 -1.400 -13.111 1.574 686 HD2 PRO 89 HD2 PRO 89 -0.150 -11.223 3.047 687 HD3 PRO 89 HD3 PRO 89 -0.778 -10.893 1.419 688 H ALA 90 H ALA 90 -5.529 -10.179 4.165 689 HA ALA 90 HA ALA 90 -4.870 -10.419 6.876 690 HB1 ALA 90 HB1 ALA 90 -7.520 -10.380 5.454 691 HB2 ALA 90 HB2 ALA 90 -6.718 -9.063 6.310 692 HB3 ALA 90 HB3 ALA 90 -7.380 -10.426 7.211 693 H GLY 91 H GLY 91 -4.765 -12.096 8.234 694 HA2 GLY 91 HA2 GLY 91 -5.466 -14.170 9.134 695 HA3 GLY 91 HA3 GLY 91 -6.185 -14.573 7.582 696 H ALA 92 H ALA 92 -3.910 -13.943 5.976 697 HA ALA 92 HA ALA 92 -2.283 -16.298 6.585 698 HB1 ALA 92 HB1 ALA 92 -1.434 -15.670 4.159 699 HB2 ALA 92 HB2 ALA 92 -2.977 -14.818 4.105 700 HB3 ALA 92 HB3 ALA 92 -2.938 -16.554 4.415 701 H LYS 93 H LYS 93 -1.188 -15.070 8.318 702 HA LYS 93 HA LYS 93 0.463 -12.840 7.691 703 HB2 LYS 93 HB2 LYS 93 -0.438 -13.838 10.003 704 HB3 LYS 93 HB3 LYS 93 1.150 -14.593 9.992 705 HG2 LYS 93 HG2 LYS 93 2.259 -12.548 10.073 706 HG3 LYS 93 HG3 LYS 93 0.837 -11.651 9.538 707 HD2 LYS 93 HD2 LYS 93 0.597 -11.171 11.722 708 HD3 LYS 93 HD3 LYS 93 -0.087 -12.794 11.824 709 HE2 LYS 93 HE2 LYS 93 2.855 -12.590 12.014 710 HE3 LYS 93 HE3 LYS 93 1.936 -11.936 13.370 711 HZ1 LYS 93 HZ1 LYS 93 2.132 -14.090 14.022 712 HZ2 LYS 93 HZ2 LYS 93 2.173 -14.702 12.446 713 HZ3 LYS 93 HZ3 LYS 93 0.701 -14.227 13.130 714 H GLY 94 H GLY 94 1.272 -14.067 5.680 715 HA2 GLY 94 HA2 GLY 94 3.963 -14.437 5.765 716 HA3 GLY 94 HA3 GLY 94 3.329 -16.033 6.134 717 H GLN 95 H GLN 95 1.992 -13.618 3.916 718 HA GLN 95 HA GLN 95 2.884 -15.131 1.607 719 HB2 GLN 95 HB2 GLN 95 -0.014 -14.912 2.404 720 HB3 GLN 95 HB3 GLN 95 0.478 -15.216 0.744 721 HG2 GLN 95 HG2 GLN 95 1.269 -16.946 3.072 722 HG3 GLN 95 HG3 GLN 95 -0.131 -17.248 2.046 723 HE21 GLN 95 HE22 GLN 95 3.259 -17.513 2.381 724 HE22 GLN 95 HE32 GLN 95 3.579 -18.287 0.869 725 HA PRO 96 HA PRO 96 2.130 -10.505 1.044 726 HB2 PRO 96 HB2 PRO 96 4.639 -9.567 1.204 727 HB3 PRO 96 HB3 PRO 96 3.654 -9.826 2.650 728 HG2 PRO 96 HG2 PRO 96 5.806 -11.554 1.490 729 HG3 PRO 96 HG3 PRO 96 5.510 -11.123 3.184 730 HD2 PRO 96 HD2 PRO 96 4.732 -13.496 2.061 731 HD3 PRO 96 HD3 PRO 96 3.911 -12.744 3.443 732 H VAL 97 H VAL 97 2.005 -9.842 -1.019 733 HA VAL 97 HA VAL 97 3.483 -11.288 -3.052 734 HB VAL 97 HB VAL 97 2.120 -10.096 -4.674 735 HG11 VAL 97 HG11 VAL 97 1.232 -11.953 -2.871 736 HG12 VAL 97 HG12 VAL 97 0.371 -11.443 -4.322 737 HG13 VAL 97 HG13 VAL 97 -0.006 -10.702 -2.767 738 HG21 VAL 97 HG21 VAL 97 1.800 -7.934 -3.962 739 HG22 VAL 97 HG22 VAL 97 1.421 -8.421 -2.310 740 HG23 VAL 97 HG23 VAL 97 0.227 -8.640 -3.589 741 H THR 98 H THR 98 4.767 -10.289 -4.680 742 HA THR 98 HA THR 98 5.881 -7.674 -3.910 743 HB THR 98 HB THR 98 7.682 -9.580 -5.280 744 HG1 THR 98 HG1 THR 98 7.518 -11.065 -3.834 745 HG21 THR 98 HG21 THR 98 8.991 -7.876 -4.668 746 HG22 THR 98 HG22 THR 98 9.003 -8.685 -3.101 747 HG23 THR 98 HG23 THR 98 7.889 -7.349 -3.395 748 H TYR 99 H TYR 99 5.191 -6.302 -5.422 749 HA TYR 99 HA TYR 99 4.883 -7.163 -8.178 750 HB2 TYR 99 HB2 TYR 99 3.612 -5.261 -6.552 751 HB3 TYR 99 HB3 TYR 99 4.488 -4.326 -7.759 752 HD1 TYR 99 HD1 TYR 99 4.254 -6.454 -9.983 753 HD2 TYR 99 HD2 TYR 99 1.417 -4.731 -7.321 754 HE1 TYR 99 HE1 TYR 99 2.468 -6.884 -11.618 755 HE2 TYR 99 HE2 TYR 99 -0.377 -5.157 -8.948 756 HH TYR 99 HH TYR 99 -0.857 -6.572 -10.833 757 H SER 100 H SER 100 6.231 -6.697 -9.814 758 HA SER 100 HA SER 100 8.824 -5.651 -9.230 759 HB2 SER 100 HB2 SER 100 7.493 -6.480 -11.815 760 HB3 SER 100 HB3 SER 100 9.160 -5.911 -11.728 761 HG SER 100 HG SER 100 8.177 -8.073 -10.183 762 H GLY 101 H GLY 101 5.888 -4.373 -10.623 763 HA2 GLY 101 HA2 GLY 101 6.446 -1.715 -10.161 764 HA3 GLY 101 HA3 GLY 101 7.068 -2.040 -11.772 765 H SER 102 H SER 102 4.380 -1.136 -9.991 766 HA SER 102 HA SER 102 2.247 -2.212 -11.444 767 HB2 SER 102 HB2 SER 102 1.088 0.002 -10.688 768 HB3 SER 102 HB3 SER 102 1.611 -1.155 -9.464 769 HG SER 102 HG SER 102 2.199 1.230 -9.300 770 H ARG 103 H ARG 103 2.034 -2.112 -13.581 771 HA ARG 103 HA ARG 103 3.085 0.085 -15.116 772 HB2 ARG 103 HB2 ARG 103 2.661 -2.546 -15.667 773 HB3 ARG 103 HB3 ARG 103 1.265 -1.816 -16.449 774 HG2 ARG 103 HG2 ARG 103 3.776 -0.434 -17.008 775 HG3 ARG 103 HG3 ARG 103 3.740 -2.109 -17.563 776 HD2 ARG 103 HD2 ARG 103 2.731 -1.257 -19.378 777 HD3 ARG 103 HD3 ARG 103 1.294 -1.235 -18.357 778 HE ARG 103 HE ARG 103 1.339 1.031 -18.507 779 HH11 ARG 103 HH11 ARG 103 4.595 -0.137 -18.974 780 HH12 ARG 103 HH12 ARG 103 5.253 1.439 -19.257 781 HH21 ARG 103 HH21 ARG 103 2.203 3.105 -18.881 782 HH22 ARG 103 HH22 ARG 103 3.896 3.279 -19.204 783 H THR 104 H THR 104 -0.010 -0.887 -13.855 784 HA THR 104 HA THR 104 -1.137 1.663 -14.643 785 HB THR 104 HB THR 104 -1.689 0.327 -16.583 786 HG1 THR 104 HG1 THR 104 -3.984 0.482 -14.932 787 HG21 THR 104 HG21 THR 104 -1.606 -1.907 -16.003 788 HG22 THR 104 HG22 THR 104 -3.334 -1.614 -16.200 789 HG23 THR 104 HG23 THR 104 -2.629 -1.682 -14.585 790 H VAL 105 H VAL 105 -3.240 2.065 -13.612 791 HA VAL 105 HA VAL 105 -3.214 1.262 -10.894 792 HB VAL 105 HB VAL 105 -5.488 2.595 -12.366 793 HG11 VAL 105 HG11 VAL 105 -6.431 2.178 -10.351 794 HG12 VAL 105 HG12 VAL 105 -5.539 3.630 -9.896 795 HG13 VAL 105 HG13 VAL 105 -4.877 2.036 -9.530 796 HG21 VAL 105 HG21 VAL 105 -4.427 4.583 -12.321 797 HG22 VAL 105 HG22 VAL 105 -2.973 3.585 -12.290 798 HG23 VAL 105 HG23 VAL 105 -3.626 4.239 -10.788 799 H GLU 106 H GLU 106 -5.442 0.532 -13.573 800 HA GLU 106 HA GLU 106 -7.284 -1.036 -12.286 801 HB2 GLU 106 HB2 GLU 106 -7.698 -2.125 -14.428 802 HB3 GLU 106 HB3 GLU 106 -7.442 -0.400 -14.652 803 HG2 GLU 106 HG2 GLU 106 -5.408 -0.696 -15.684 804 HG3 GLU 106 HG3 GLU 106 -5.144 -2.275 -14.946 805 H ASP 107 H ASP 107 -3.995 -1.840 -13.108 806 HA ASP 107 HA ASP 107 -4.298 -4.662 -12.659 807 HB2 ASP 107 HB2 ASP 107 -1.949 -2.841 -13.110 808 HB3 ASP 107 HB3 ASP 107 -1.709 -4.515 -12.619 809 H LEU 108 H LEU 108 -3.303 -1.872 -10.781 810 HA LEU 108 HA LEU 108 -2.245 -3.317 -8.578 811 HB2 LEU 108 HB2 LEU 108 -3.063 -0.504 -9.098 812 HB3 LEU 108 HB3 LEU 108 -2.893 -1.008 -7.427 813 HG LEU 108 HG LEU 108 -0.714 -1.264 -9.498 814 HD11 LEU 108 HD11 LEU 108 0.325 0.631 -8.253 815 HD12 LEU 108 HD12 LEU 108 -1.213 0.856 -7.420 816 HD13 LEU 108 HD13 LEU 108 -1.119 1.065 -9.168 817 HD21 LEU 108 HD21 LEU 108 -0.962 -2.652 -7.199 818 HD22 LEU 108 HD22 LEU 108 -0.124 -1.215 -6.614 819 HD23 LEU 108 HD23 LEU 108 0.585 -2.186 -7.904 820 H ILE 109 H ILE 109 -5.451 -2.282 -9.488 821 HA ILE 109 HA ILE 109 -6.652 -2.694 -6.928 822 HB ILE 109 HB ILE 109 -8.075 -2.733 -9.587 823 HG12 ILE 109 HG12 ILE 109 -7.304 -0.347 -7.892 824 HG13 ILE 109 HG13 ILE 109 -6.670 -0.732 -9.488 825 HG21 ILE 109 HG21 ILE 109 -9.984 -2.650 -8.427 826 HG22 ILE 109 HG22 ILE 109 -9.347 -1.464 -7.288 827 HG23 ILE 109 HG23 ILE 109 -9.015 -3.180 -7.053 828 HD11 ILE 109 HD11 ILE 109 -8.922 0.821 -8.827 829 HD12 ILE 109 HD12 ILE 109 -9.508 -0.632 -9.636 830 HD13 ILE 109 HD13 ILE 109 -8.315 0.399 -10.428 831 H LYS 110 H LYS 110 -6.740 -4.539 -9.976 832 HA LYS 110 HA LYS 110 -8.182 -6.728 -9.002 833 HB2 LYS 110 HB2 LYS 110 -7.779 -6.243 -11.404 834 HB3 LYS 110 HB3 LYS 110 -6.103 -6.731 -11.196 835 HG2 LYS 110 HG2 LYS 110 -7.358 -8.914 -10.237 836 HG3 LYS 110 HG3 LYS 110 -8.537 -8.364 -11.429 837 HD2 LYS 110 HD2 LYS 110 -6.231 -8.121 -12.834 838 HD3 LYS 110 HD3 LYS 110 -5.850 -9.503 -11.805 839 HE2 LYS 110 HE2 LYS 110 -7.750 -10.710 -12.603 840 HE3 LYS 110 HE3 LYS 110 -8.361 -9.293 -13.456 841 HZ1 LYS 110 HZ1 LYS 110 -6.059 -9.471 -14.652 842 HZ2 LYS 110 HZ2 LYS 110 -7.367 -10.419 -15.153 843 HZ3 LYS 110 HZ3 LYS 110 -6.162 -11.092 -14.176 844 H PHE 111 H PHE 111 -4.880 -5.825 -8.555 845 HA PHE 111 HA PHE 111 -3.871 -8.421 -7.927 846 HB2 PHE 111 HB2 PHE 111 -2.736 -5.960 -8.410 847 HB3 PHE 111 HB3 PHE 111 -2.493 -6.153 -6.676 848 HD1 PHE 111 HD2 PHE 111 -2.448 -8.662 -9.428 849 HD2 PHE 111 HD1 PHE 111 -0.266 -6.660 -6.371 850 HE1 PHE 111 HE2 PHE 111 -0.511 -10.117 -9.862 851 HE2 PHE 111 HE1 PHE 111 1.674 -8.110 -6.799 852 HZ PHE 111 HZ PHE 111 1.553 -9.842 -8.546 853 H ILE 112 H ILE 112 -4.813 -5.622 -5.943 854 HA ILE 112 HA ILE 112 -4.330 -6.648 -3.431 855 HB ILE 112 HB ILE 112 -6.657 -4.883 -4.205 856 HG12 ILE 112 HG12 ILE 112 -4.177 -3.763 -3.026 857 HG13 ILE 112 HG13 ILE 112 -4.069 -4.312 -4.695 858 HG21 ILE 112 HG21 ILE 112 -6.522 -4.083 -1.885 859 HG22 ILE 112 HG22 ILE 112 -5.274 -5.284 -1.555 860 HG23 ILE 112 HG23 ILE 112 -6.907 -5.802 -1.972 861 HD11 ILE 112 HD11 ILE 112 -5.643 -2.079 -3.529 862 HD12 ILE 112 HD12 ILE 112 -6.245 -2.887 -4.976 863 HD13 ILE 112 HD13 ILE 112 -4.654 -2.126 -4.988 864 H ALA 113 H ALA 113 -7.300 -6.965 -5.365 865 HA ALA 113 HA ALA 113 -8.589 -8.608 -3.395 866 HB1 ALA 113 HB1 ALA 113 -9.983 -8.975 -5.748 867 HB2 ALA 113 HB2 ALA 113 -9.308 -7.354 -5.912 868 HB3 ALA 113 HB3 ALA 113 -10.312 -7.755 -4.518 869 H GLU 114 H GLU 114 -6.391 -9.179 -5.967 870 HA GLU 114 HA GLU 114 -7.158 -11.895 -6.477 871 HB2 GLU 114 HB2 GLU 114 -5.018 -10.057 -7.380 872 HB3 GLU 114 HB3 GLU 114 -4.641 -11.774 -7.437 873 HG2 GLU 114 HG2 GLU 114 -7.258 -11.101 -8.545 874 HG3 GLU 114 HG3 GLU 114 -5.902 -10.362 -9.397 875 H ASN 115 H ASN 115 -4.396 -10.378 -4.807 876 HA ASN 115 HA ASN 115 -3.658 -12.954 -3.667 877 HB2 ASN 115 HB2 ASN 115 -2.206 -10.524 -2.804 878 HB3 ASN 115 HB3 ASN 115 -1.583 -12.091 -3.306 879 HD21 ASN 115 HD21 ASN 115 -2.127 -8.885 -4.181 880 HD22 ASN 115 HD22 ASN 115 -1.688 -9.003 -5.847 881 H GLY 116 H GLY 116 -5.074 -9.899 -2.716 882 HA2 GLY 116 HA2 GLY 116 -4.834 -10.113 0.064 883 HA3 GLY 116 HA3 GLY 116 -6.111 -9.243 -0.773 884 H LYS 117 H LYS 117 -5.493 -11.676 1.357 885 HA LYS 117 HA LYS 117 -7.248 -13.729 0.690 886 HB2 LYS 117 HB2 LYS 117 -5.611 -13.747 2.583 887 HB3 LYS 117 HB3 LYS 117 -6.702 -12.699 3.479 888 HG2 LYS 117 HG2 LYS 117 -8.175 -14.368 3.912 889 HG3 LYS 117 HG3 LYS 117 -7.827 -15.217 2.405 890 HD2 LYS 117 HD2 LYS 117 -5.583 -15.097 4.296 891 HD3 LYS 117 HD3 LYS 117 -6.980 -16.013 4.865 892 HE2 LYS 117 HE2 LYS 117 -5.486 -17.510 3.727 893 HE3 LYS 117 HE3 LYS 117 -6.936 -17.299 2.746 894 HZ1 LYS 117 HZ1 LYS 117 -5.560 -15.483 1.587 895 HZ2 LYS 117 HZ2 LYS 117 -5.231 -17.101 1.222 896 HZ3 LYS 117 HZ3 LYS 117 -4.221 -16.252 2.279 897 H TYR 118 H TYR 118 -7.855 -10.676 2.356 898 HA TYR 118 HA TYR 118 -10.616 -11.235 2.858 899 HB2 TYR 118 HB2 TYR 118 -8.730 -9.081 3.404 900 HB3 TYR 118 HB3 TYR 118 -10.322 -8.475 2.963 901 HD1 TYR 118 HD2 TYR 118 -9.442 -11.564 4.846 902 HD2 TYR 118 HD1 TYR 118 -11.207 -7.695 4.980 903 HE1 TYR 118 HE2 TYR 118 -10.236 -12.011 7.130 904 HE2 TYR 118 HE1 TYR 118 -12.004 -8.132 7.264 905 HH TYR 118 HH TYR 118 -10.936 -10.817 9.103 906 H LYS 119 H LYS 119 -8.856 -10.206 0.127 907 HA LYS 119 HA LYS 119 -9.489 -9.664 -1.986 908 HB2 LYS 119 HB2 LYS 119 -11.573 -11.219 -1.050 909 HB3 LYS 119 HB3 LYS 119 -12.388 -9.766 -1.612 910 HG2 LYS 119 HG2 LYS 119 -11.438 -10.021 -3.807 911 HG3 LYS 119 HG3 LYS 119 -10.465 -11.390 -3.264 912 HD2 LYS 119 HD2 LYS 119 -13.476 -11.353 -3.165 913 HD3 LYS 119 HD3 LYS 119 -12.559 -11.980 -4.536 914 HE2 LYS 119 HE2 LYS 119 -11.739 -13.012 -1.909 915 HE3 LYS 119 HE3 LYS 119 -13.367 -13.464 -2.412 916 HZ1 LYS 119 HZ1 LYS 119 -11.151 -13.764 -4.315 917 HZ2 LYS 119 HZ2 LYS 119 -12.588 -14.647 -4.193 918 HZ3 LYS 119 HZ3 LYS 119 -11.337 -14.913 -3.087 919 H ALA 120 H ALA 120 -8.887 -7.589 -0.424 920 HA ALA 120 HA ALA 120 -10.883 -5.625 -0.102 921 HB1 ALA 120 HB1 ALA 120 -9.003 -5.223 1.172 922 HB2 ALA 120 HB2 ALA 120 -8.799 -4.066 -0.144 923 HB3 ALA 120 HB3 ALA 120 -7.897 -5.582 -0.155 924 H ALA 121 H ALA 121 -11.992 -5.834 -2.172 925 HA ALA 121 HA ALA 121 -11.460 -3.713 -3.906 926 HB1 ALA 121 HB1 ALA 121 -9.683 -5.688 -4.444 927 HB2 ALA 121 HB2 ALA 121 -10.247 -4.507 -5.625 928 HB3 ALA 121 HB3 ALA 121 -10.993 -6.103 -5.549 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -9.527 20.069 4.093 2 H2 GLY 1 2H GLY 1 -9.889 18.988 2.843 3 H3 GLY 1 3H GLY 1 -10.297 18.602 4.438 4 HA2 GLY 1 HA3 GLY 1 -12.133 19.446 2.872 5 HA3 GLY 1 HA2 GLY 1 -12.058 20.055 4.518 6 HA PRO 2 HA PRO 2 -12.006 24.140 2.851 7 HB2 PRO 2 HB2 PRO 2 -10.743 25.493 4.837 8 HB3 PRO 2 HB3 PRO 2 -12.403 24.903 4.982 9 HG2 PRO 2 HG2 PRO 2 -9.867 23.699 6.023 10 HG3 PRO 2 HG3 PRO 2 -11.439 23.866 6.827 11 HD2 PRO 2 HD2 PRO 2 -10.620 21.544 5.704 12 HD3 PRO 2 HD3 PRO 2 -12.327 22.030 5.751 13 H LEU 3 H LEU 3 -8.920 23.163 4.344 14 HA LEU 3 HA LEU 3 -7.530 24.289 2.010 15 HB2 LEU 3 HB2 LEU 3 -5.681 24.952 3.582 16 HB3 LEU 3 HB3 LEU 3 -7.151 25.901 3.696 17 HG LEU 3 HG LEU 3 -6.871 23.600 5.556 18 HD11 LEU 3 HD11 LEU 3 -5.642 26.128 6.458 19 HD12 LEU 3 HD12 LEU 3 -4.693 25.145 5.343 20 HD13 LEU 3 HD13 LEU 3 -5.247 24.459 6.870 21 HD21 LEU 3 HD21 LEU 3 -7.740 26.371 6.244 22 HD22 LEU 3 HD22 LEU 3 -8.278 24.826 6.904 23 HD23 LEU 3 HD23 LEU 3 -8.806 25.332 5.299 24 H GLY 4 H GLY 4 -6.912 22.463 0.998 25 HA2 GLY 4 HA2 GLY 4 -5.599 20.616 0.586 26 HA3 GLY 4 HA3 GLY 4 -4.837 20.879 2.148 27 H SER 5 H SER 5 -5.360 18.332 1.203 28 HA SER 5 HA SER 5 -7.819 17.269 2.109 29 HB2 SER 5 HB2 SER 5 -5.817 16.289 0.586 30 HB3 SER 5 HB3 SER 5 -5.444 15.495 2.116 31 HG SER 5 HG SER 5 -7.981 15.450 0.843 32 H GLU 6 H GLU 6 -7.786 15.434 3.816 33 HA GLU 6 HA GLU 6 -6.499 16.508 6.237 34 HB2 GLU 6 HB2 GLU 6 -9.095 16.386 5.961 35 HB3 GLU 6 HB3 GLU 6 -8.872 14.677 6.310 36 HG2 GLU 6 HG2 GLU 6 -8.008 15.127 8.456 37 HG3 GLU 6 HG3 GLU 6 -7.816 16.843 8.099 38 H GLY 7 H GLY 7 -7.224 13.588 4.412 39 HA2 GLY 7 HA2 GLY 7 -4.889 12.254 5.198 40 HA3 GLY 7 HA3 GLY 7 -6.195 11.711 6.240 41 HA PRO 8 HA PRO 8 -7.536 10.342 1.820 42 HB2 PRO 8 HB2 PRO 8 -5.809 10.751 -0.227 43 HB3 PRO 8 HB3 PRO 8 -7.017 11.948 0.256 44 HG2 PRO 8 HG2 PRO 8 -4.099 11.827 0.919 45 HG3 PRO 8 HG3 PRO 8 -5.081 13.224 0.439 46 HD2 PRO 8 HD2 PRO 8 -4.417 12.718 3.019 47 HD3 PRO 8 HD3 PRO 8 -5.939 13.508 2.558 48 H VAL 9 H VAL 9 -4.008 10.224 2.254 49 HA VAL 9 HA VAL 9 -4.125 7.315 1.783 50 HB VAL 9 HB VAL 9 -1.691 9.073 1.466 51 HG11 VAL 9 HG11 VAL 9 -2.234 6.186 1.250 52 HG12 VAL 9 HG12 VAL 9 -0.739 7.036 1.641 53 HG13 VAL 9 HG13 VAL 9 -1.251 6.878 -0.040 54 HG21 VAL 9 HG21 VAL 9 -3.152 9.804 -0.228 55 HG22 VAL 9 HG22 VAL 9 -3.729 8.169 -0.549 56 HG23 VAL 9 HG23 VAL 9 -2.090 8.632 -1.008 57 H THR 10 H THR 10 -3.254 5.951 3.270 58 HA THR 10 HA THR 10 -2.843 6.950 5.914 59 HB THR 10 HB THR 10 -2.454 4.177 4.770 60 HG1 THR 10 HG1 THR 10 -4.579 4.667 4.655 61 HG21 THR 10 HG21 THR 10 -3.146 4.107 7.507 62 HG22 THR 10 HG22 THR 10 -1.741 5.158 7.333 63 HG23 THR 10 HG23 THR 10 -1.685 3.504 6.725 64 H VAL 11 H VAL 11 -0.973 7.042 7.126 65 HA VAL 11 HA VAL 11 1.517 6.998 5.569 66 HB VAL 11 HB VAL 11 2.441 8.336 7.497 67 HG11 VAL 11 HG11 VAL 11 2.073 9.758 5.781 68 HG12 VAL 11 HG12 VAL 11 0.791 10.353 6.836 69 HG13 VAL 11 HG13 VAL 11 0.412 9.214 5.544 70 HG21 VAL 11 HG21 VAL 11 1.192 8.964 9.267 71 HG22 VAL 11 HG22 VAL 11 0.243 7.538 8.847 72 HG23 VAL 11 HG23 VAL 11 -0.276 9.134 8.306 73 H VAL 12 H VAL 12 3.076 5.568 5.987 74 HA VAL 12 HA VAL 12 2.825 3.926 8.420 75 HB VAL 12 HB VAL 12 3.840 3.197 5.675 76 HG11 VAL 12 HG11 VAL 12 4.476 1.976 8.306 77 HG12 VAL 12 HG12 VAL 12 5.445 2.069 6.835 78 HG13 VAL 12 HG13 VAL 12 4.140 0.890 6.957 79 HG21 VAL 12 HG21 VAL 12 1.983 1.943 5.469 80 HG22 VAL 12 HG22 VAL 12 1.348 3.024 6.709 81 HG23 VAL 12 HG23 VAL 12 2.001 1.450 7.162 82 H VAL 13 H VAL 13 4.262 4.492 9.888 83 HA VAL 13 HA VAL 13 6.988 5.193 9.016 84 HB VAL 13 HB VAL 13 7.014 6.407 11.337 85 HG11 VAL 13 HG11 VAL 13 5.466 7.734 9.134 86 HG12 VAL 13 HG12 VAL 13 7.186 7.371 8.990 87 HG13 VAL 13 HG13 VAL 13 6.616 8.455 10.260 88 HG21 VAL 13 HG21 VAL 13 4.978 7.234 12.149 89 HG22 VAL 13 HG22 VAL 13 4.668 5.528 11.827 90 HG23 VAL 13 HG23 VAL 13 4.104 6.755 10.693 91 H ALA 14 H ALA 14 8.675 4.727 10.652 92 HA ALA 14 HA ALA 14 8.711 2.072 11.420 93 HB1 ALA 14 HB1 ALA 14 10.803 2.480 12.160 94 HB2 ALA 14 HB2 ALA 14 10.316 3.897 13.090 95 HB3 ALA 14 HB3 ALA 14 10.556 4.025 11.347 96 H LYS 15 H LYS 15 7.288 4.774 13.041 97 HA LYS 15 HA LYS 15 7.235 3.695 15.664 98 HB2 LYS 15 HB2 LYS 15 5.634 5.847 14.292 99 HB3 LYS 15 HB3 LYS 15 5.361 5.401 15.971 100 HG2 LYS 15 HG2 LYS 15 8.121 5.801 15.729 101 HG3 LYS 15 HG3 LYS 15 7.358 7.121 14.841 102 HD2 LYS 15 HD2 LYS 15 6.397 6.368 17.577 103 HD3 LYS 15 HD3 LYS 15 7.814 7.401 17.377 104 HE2 LYS 15 HE2 LYS 15 5.485 8.164 15.758 105 HE3 LYS 15 HE3 LYS 15 5.248 8.292 17.500 106 HZ1 LYS 15 HZ1 LYS 15 6.707 9.981 17.664 107 HZ2 LYS 15 HZ2 LYS 15 6.335 10.214 16.031 108 HZ3 LYS 15 HZ3 LYS 15 7.739 9.377 16.467 109 H ASN 16 H ASN 16 4.931 3.635 12.969 110 HA ASN 16 HA ASN 16 3.430 1.564 14.432 111 HB2 ASN 16 HB2 ASN 16 1.466 2.502 12.916 112 HB3 ASN 16 HB3 ASN 16 1.845 3.222 14.478 113 HD21 ASN 16 HD21 ASN 16 2.634 3.492 11.037 114 HD22 ASN 16 HD22 ASN 16 2.795 5.213 11.030 115 H TYR 17 H TYR 17 5.597 1.368 12.412 116 HA TYR 17 HA TYR 17 4.463 0.546 9.935 117 HB2 TYR 17 HB2 TYR 17 6.845 1.250 10.249 118 HB3 TYR 17 HB3 TYR 17 7.127 -0.254 11.120 119 HD1 TYR 17 HD1 TYR 17 6.367 -2.437 9.756 120 HD2 TYR 17 HD2 TYR 17 7.389 1.310 8.013 121 HE1 TYR 17 HE1 TYR 17 6.863 -3.566 7.634 122 HE2 TYR 17 HE2 TYR 17 7.888 0.187 5.885 123 HH TYR 17 HH TYR 17 8.142 -3.216 5.617 124 H ASN 18 H ASN 18 5.581 -1.175 12.812 125 HA ASN 18 HA ASN 18 5.039 -3.773 11.807 126 HB2 ASN 18 HB2 ASN 18 5.116 -3.043 14.721 127 HB3 ASN 18 HB3 ASN 18 5.577 -4.565 13.965 128 HD21 ASN 18 HD21 ASN 18 7.400 -4.330 12.337 129 HD22 ASN 18 HD22 ASN 18 8.727 -3.332 12.815 130 H GLU 19 H GLU 19 3.318 -1.813 14.246 131 HA GLU 19 HA GLU 19 1.210 -3.513 14.728 132 HB2 GLU 19 HB2 GLU 19 1.644 -0.606 14.940 133 HB3 GLU 19 HB3 GLU 19 -0.041 -1.103 14.873 134 HG2 GLU 19 HG2 GLU 19 0.950 -2.854 16.690 135 HG3 GLU 19 HG3 GLU 19 1.944 -1.432 17.001 136 H ILE 20 H ILE 20 1.619 -1.293 12.034 137 HA ILE 20 HA ILE 20 -1.032 -1.616 11.020 138 HB ILE 20 HB ILE 20 1.472 -0.517 9.749 139 HG12 ILE 20 HG12 ILE 20 0.424 0.747 11.638 140 HG13 ILE 20 HG13 ILE 20 0.452 1.636 10.118 141 HG21 ILE 20 HG21 ILE 20 0.392 -1.029 7.818 142 HG22 ILE 20 HG22 ILE 20 -0.444 0.480 8.183 143 HG23 ILE 20 HG23 ILE 20 -1.196 -1.064 8.585 144 HD11 ILE 20 HD11 ILE 20 -1.919 0.907 9.768 145 HD12 ILE 20 HD12 ILE 20 -1.657 2.004 11.124 146 HD13 ILE 20 HD13 ILE 20 -1.893 0.281 11.417 147 H VAL 21 H VAL 21 1.922 -2.397 9.216 148 HA VAL 21 HA VAL 21 0.896 -4.155 7.420 149 HB VAL 21 HB VAL 21 3.582 -4.484 8.763 150 HG11 VAL 21 HG11 VAL 21 2.795 -5.224 5.954 151 HG12 VAL 21 HG12 VAL 21 2.769 -6.364 7.299 152 HG13 VAL 21 HG13 VAL 21 4.289 -5.618 6.804 153 HG21 VAL 21 HG21 VAL 21 4.325 -3.120 6.726 154 HG22 VAL 21 HG22 VAL 21 3.535 -2.257 8.045 155 HG23 VAL 21 HG23 VAL 21 2.630 -2.652 6.583 156 H LEU 22 H LEU 22 1.617 -4.784 10.775 157 HA LEU 22 HA LEU 22 1.463 -7.609 10.703 158 HB2 LEU 22 HB2 LEU 22 1.235 -5.540 12.852 159 HB3 LEU 22 HB3 LEU 22 0.853 -7.205 13.210 160 HG LEU 22 HG LEU 22 3.501 -6.318 12.076 161 HD11 LEU 22 HD11 LEU 22 2.918 -5.407 14.379 162 HD12 LEU 22 HD12 LEU 22 4.413 -6.333 14.238 163 HD13 LEU 22 HD13 LEU 22 2.974 -7.081 14.932 164 HD21 LEU 22 HD21 LEU 22 4.164 -8.474 12.181 165 HD22 LEU 22 HD22 LEU 22 2.436 -8.781 12.006 166 HD23 LEU 22 HD23 LEU 22 3.182 -8.822 13.604 167 H ASP 23 H ASP 23 -0.943 -5.073 11.255 168 HA ASP 23 HA ASP 23 -3.091 -6.466 12.188 169 HB2 ASP 23 HB2 ASP 23 -2.943 -3.992 11.593 170 HB3 ASP 23 HB3 ASP 23 -3.371 -4.463 9.951 171 H ASP 24 H ASP 24 -3.280 -8.557 11.497 172 HA ASP 24 HA ASP 24 -3.501 -9.191 8.687 173 HB2 ASP 24 HB2 ASP 24 -3.881 -11.525 9.559 174 HB3 ASP 24 HB3 ASP 24 -2.352 -10.795 10.035 175 H THR 25 H THR 25 -5.624 -8.120 11.076 176 HA THR 25 HA THR 25 -7.947 -9.596 10.372 177 HB THR 25 HB THR 25 -9.065 -7.486 11.472 178 HG1 THR 25 HG1 THR 25 -7.667 -6.290 12.699 179 HG21 THR 25 HG21 THR 25 -8.206 -8.277 13.764 180 HG22 THR 25 HG22 THR 25 -7.382 -9.536 12.843 181 HG23 THR 25 HG23 THR 25 -9.138 -9.395 12.769 182 H LYS 26 H LYS 26 -6.332 -6.901 8.954 183 HA LYS 26 HA LYS 26 -8.515 -6.666 7.002 184 HB2 LYS 26 HB2 LYS 26 -7.026 -4.411 8.347 185 HB3 LYS 26 HB3 LYS 26 -7.948 -4.197 6.865 186 HG2 LYS 26 HG2 LYS 26 -9.570 -3.624 8.319 187 HG3 LYS 26 HG3 LYS 26 -9.822 -5.370 8.367 188 HD2 LYS 26 HD2 LYS 26 -8.125 -5.354 10.298 189 HD3 LYS 26 HD3 LYS 26 -8.415 -3.614 10.354 190 HE2 LYS 26 HE2 LYS 26 -10.946 -4.453 10.334 191 HE3 LYS 26 HE3 LYS 26 -10.200 -5.869 11.072 192 HZ1 LYS 26 HZ1 LYS 26 -10.813 -4.446 12.824 193 HZ2 LYS 26 HZ2 LYS 26 -10.172 -3.078 12.064 194 HZ3 LYS 26 HZ3 LYS 26 -9.137 -4.270 12.672 195 H ASP 27 H ASP 27 -7.786 -5.640 4.944 196 HA ASP 27 HA ASP 27 -5.299 -6.847 4.116 197 HB2 ASP 27 HB2 ASP 27 -7.648 -6.475 2.836 198 HB3 ASP 27 HB3 ASP 27 -6.762 -5.073 2.246 199 H VAL 28 H VAL 28 -3.392 -5.857 3.827 200 HA VAL 28 HA VAL 28 -3.331 -2.924 4.098 201 HB VAL 28 HB VAL 28 -1.196 -4.912 4.886 202 HG11 VAL 28 HG11 VAL 28 -0.059 -2.959 5.869 203 HG12 VAL 28 HG12 VAL 28 -1.284 -1.909 5.158 204 HG13 VAL 28 HG13 VAL 28 -0.207 -2.838 4.116 205 HG21 VAL 28 HG21 VAL 28 -3.012 -5.014 6.440 206 HG22 VAL 28 HG22 VAL 28 -3.107 -3.255 6.521 207 HG23 VAL 28 HG23 VAL 28 -1.707 -4.094 7.188 208 H LEU 29 H LEU 29 -2.042 -1.725 2.759 209 HA LEU 29 HA LEU 29 -0.622 -3.125 0.602 210 HB2 LEU 29 HB2 LEU 29 -3.061 -1.891 0.236 211 HB3 LEU 29 HB3 LEU 29 -1.926 -0.642 -0.235 212 HG LEU 29 HG LEU 29 -2.262 -3.377 -1.450 213 HD11 LEU 29 HD11 LEU 29 -2.484 -0.589 -2.572 214 HD12 LEU 29 HD12 LEU 29 -3.820 -1.685 -2.219 215 HD13 LEU 29 HD13 LEU 29 -2.665 -2.084 -3.491 216 HD21 LEU 29 HD21 LEU 29 0.158 -1.927 -1.188 217 HD22 LEU 29 HD22 LEU 29 -0.361 -1.800 -2.868 218 HD23 LEU 29 HD23 LEU 29 -0.149 -3.386 -2.128 219 H ILE 30 H ILE 30 1.410 -2.602 1.303 220 HA ILE 30 HA ILE 30 1.988 0.220 1.862 221 HB ILE 30 HB ILE 30 2.748 -1.262 3.594 222 HG12 ILE 30 HG12 ILE 30 5.304 -0.689 2.147 223 HG13 ILE 30 HG13 ILE 30 4.256 0.656 2.586 224 HG21 ILE 30 HG21 ILE 30 4.466 -3.007 3.106 225 HG22 ILE 30 HG22 ILE 30 4.154 -2.752 1.388 226 HG23 ILE 30 HG23 ILE 30 2.868 -3.345 2.440 227 HD11 ILE 30 HD11 ILE 30 4.707 -1.195 4.780 228 HD12 ILE 30 HD12 ILE 30 4.865 0.561 4.720 229 HD13 ILE 30 HD13 ILE 30 6.189 -0.464 4.164 230 H GLU 31 H GLU 31 3.357 1.418 0.655 231 HA GLU 31 HA GLU 31 4.701 0.107 -1.614 232 HB2 GLU 31 HB2 GLU 31 2.510 1.670 -1.942 233 HB3 GLU 31 HB3 GLU 31 3.778 2.885 -2.028 234 HG2 GLU 31 HG2 GLU 31 3.920 0.389 -3.670 235 HG3 GLU 31 HG3 GLU 31 2.974 1.779 -4.199 236 H PHE 32 H PHE 32 6.828 0.396 -1.486 237 HA PHE 32 HA PHE 32 7.860 2.609 0.116 238 HB2 PHE 32 HB2 PHE 32 9.510 0.411 -1.115 239 HB3 PHE 32 HB3 PHE 32 9.902 1.426 0.267 240 HD1 PHE 32 HD1 PHE 32 7.663 -1.292 -0.879 241 HD2 PHE 32 HD2 PHE 32 9.332 0.783 2.440 242 HE1 PHE 32 HE1 PHE 32 6.765 -3.006 0.639 243 HE2 PHE 32 HE2 PHE 32 8.438 -0.928 3.964 244 HZ PHE 32 HZ PHE 32 7.151 -2.826 3.064 245 H TYR 33 H TYR 33 9.237 4.174 -0.651 246 HA TYR 33 HA TYR 33 10.173 4.124 -3.382 247 HB2 TYR 33 HB2 TYR 33 9.046 6.211 -4.042 248 HB3 TYR 33 HB3 TYR 33 7.886 4.929 -3.704 249 HD1 TYR 33 HD1 TYR 33 6.789 4.923 -1.377 250 HD2 TYR 33 HD2 TYR 33 8.856 8.280 -2.978 251 HE1 TYR 33 HE1 TYR 33 5.626 6.391 0.216 252 HE2 TYR 33 HE2 TYR 33 7.699 9.757 -1.389 253 HH TYR 33 HH TYR 33 5.004 8.791 0.393 254 H ALA 34 H ALA 34 11.464 6.102 -3.895 255 HA ALA 34 HA ALA 34 12.792 7.058 -1.451 256 HB1 ALA 34 HB1 ALA 34 13.936 5.753 -3.492 257 HB2 ALA 34 HB2 ALA 34 14.791 6.938 -2.504 258 HB3 ALA 34 HB3 ALA 34 14.121 7.411 -4.066 259 HA PRO 35 HA PRO 35 11.299 11.143 -2.326 260 HB2 PRO 35 HB2 PRO 35 13.078 12.579 -0.862 261 HB3 PRO 35 HB3 PRO 35 11.765 11.647 -0.134 262 HG2 PRO 35 HG2 PRO 35 14.653 10.928 -0.442 263 HG3 PRO 35 HG3 PRO 35 13.586 10.699 0.955 264 HD2 PRO 35 HD2 PRO 35 14.190 8.694 -0.763 265 HD3 PRO 35 HD3 PRO 35 12.627 8.800 0.071 266 H TRP 36 H TRP 36 14.352 9.974 -3.275 267 HA TRP 36 HA TRP 36 14.978 12.433 -4.746 268 HB2 TRP 36 HB2 TRP 36 17.137 10.957 -5.247 269 HB3 TRP 36 HB3 TRP 36 16.974 11.889 -3.764 270 HD1 TRP 36 HD1 TRP 36 16.238 10.453 -1.527 271 HE1 TRP 36 HE1 TRP 36 16.777 8.016 -0.895 272 HE3 TRP 36 HE3 TRP 36 17.533 8.685 -6.147 273 HZ2 TRP 36 HZ2 TRP 36 17.640 5.660 -2.185 274 HZ3 TRP 36 HZ3 TRP 36 18.204 6.328 -6.361 275 HH2 TRP 36 HH2 TRP 36 18.257 4.847 -4.420 276 H CYS 37 H CYS 37 13.971 9.141 -5.140 277 HA CYS 37 HA CYS 37 14.584 8.946 -7.928 278 HB2 CYS 37 HB2 CYS 37 14.266 7.007 -6.305 279 HB3 CYS 37 HB3 CYS 37 12.537 7.310 -6.432 280 HG CYS 37 HG CYS 37 13.719 5.479 -8.179 281 H GLY 38 H GLY 38 13.230 9.198 -9.690 282 HA2 GLY 38 HA2 GLY 38 11.062 11.066 -9.317 283 HA3 GLY 38 HA3 GLY 38 11.667 10.461 -10.851 284 H HIS 39 H HIS 39 11.362 7.644 -9.869 285 HA HIS 39 HA HIS 39 8.901 7.056 -11.003 286 HB2 HIS 39 HB2 HIS 39 10.936 5.595 -9.479 287 HB3 HIS 39 HB3 HIS 39 9.314 4.932 -9.305 288 HD1 HIS 39 HD1 HIS 39 10.696 6.454 -12.477 289 HD2 HIS 39 HD2 HIS 39 9.597 2.751 -10.944 290 HE1 HIS 39 HE1 HIS 39 10.786 4.866 -14.425 291 HE2 HIS 39 HE2 HIS 39 10.196 2.616 -13.457 292 H CYS 40 H CYS 40 9.627 8.127 -7.799 293 HA CYS 40 HA CYS 40 7.344 7.126 -6.473 294 HB2 CYS 40 HB2 CYS 40 7.895 8.626 -4.696 295 HB3 CYS 40 HB3 CYS 40 9.411 8.041 -5.370 296 HG CYS 40 HG CYS 40 8.494 10.930 -5.305 297 H LYS 41 H LYS 41 7.934 10.074 -8.315 298 HA LYS 41 HA LYS 41 5.499 11.351 -7.623 299 HB2 LYS 41 HB2 LYS 41 6.128 13.032 -9.060 300 HB3 LYS 41 HB3 LYS 41 7.688 12.295 -8.732 301 HG2 LYS 41 HG2 LYS 41 7.498 11.026 -10.840 302 HG3 LYS 41 HG3 LYS 41 5.976 11.853 -11.171 303 HD2 LYS 41 HD2 LYS 41 7.831 12.907 -12.361 304 HD3 LYS 41 HD3 LYS 41 7.137 14.004 -11.165 305 HE2 LYS 41 HE2 LYS 41 8.944 13.520 -9.628 306 HE3 LYS 41 HE3 LYS 41 9.609 12.328 -10.743 307 HZ1 LYS 41 HZ1 LYS 41 9.292 15.191 -11.442 308 HZ2 LYS 41 HZ2 LYS 41 10.177 14.015 -12.275 309 HZ3 LYS 41 HZ3 LYS 41 10.709 14.560 -10.764 310 H ALA 42 H ALA 42 6.453 9.236 -10.285 311 HA ALA 42 HA ALA 42 4.084 9.469 -11.793 312 HB1 ALA 42 HB1 ALA 42 6.344 8.445 -12.461 313 HB2 ALA 42 HB2 ALA 42 4.874 7.691 -13.077 314 HB3 ALA 42 HB3 ALA 42 5.734 6.967 -11.718 315 H LEU 43 H LEU 43 4.923 7.540 -9.006 316 HA LEU 43 HA LEU 43 2.381 6.090 -9.177 317 HB2 LEU 43 HB2 LEU 43 4.974 5.360 -8.357 318 HB3 LEU 43 HB3 LEU 43 3.994 5.365 -6.905 319 HG LEU 43 HG LEU 43 4.152 3.154 -8.076 320 HD11 LEU 43 HD11 LEU 43 2.398 3.385 -6.536 321 HD12 LEU 43 HD12 LEU 43 1.642 2.761 -8.002 322 HD13 LEU 43 HD13 LEU 43 1.498 4.471 -7.594 323 HD21 LEU 43 HD21 LEU 43 3.265 2.773 -10.153 324 HD22 LEU 43 HD22 LEU 43 3.881 4.411 -10.368 325 HD23 LEU 43 HD23 LEU 43 2.165 4.147 -10.058 326 H ALA 44 H ALA 44 3.400 8.940 -7.956 327 HA ALA 44 HA ALA 44 2.443 8.893 -5.294 328 HB1 ALA 44 HB1 ALA 44 2.224 11.503 -6.487 329 HB2 ALA 44 HB2 ALA 44 3.740 10.731 -6.948 330 HB3 ALA 44 HB3 ALA 44 3.333 10.926 -5.244 331 HA PRO 45 HA PRO 45 -1.610 10.856 -6.990 332 HB2 PRO 45 HB2 PRO 45 -2.006 10.929 -9.669 333 HB3 PRO 45 HB3 PRO 45 -1.180 12.220 -8.789 334 HG2 PRO 45 HG2 PRO 45 -0.018 9.971 -10.385 335 HG3 PRO 45 HG3 PRO 45 0.460 11.678 -10.344 336 HD2 PRO 45 HD2 PRO 45 1.791 9.742 -8.985 337 HD3 PRO 45 HD3 PRO 45 1.682 11.418 -8.411 338 H LYS 46 H LYS 46 -0.292 8.173 -8.861 339 HA LYS 46 HA LYS 46 -2.778 6.927 -9.423 340 HB2 LYS 46 HB2 LYS 46 -0.069 5.605 -9.230 341 HB3 LYS 46 HB3 LYS 46 -1.474 5.013 -10.105 342 HG2 LYS 46 HG2 LYS 46 -0.142 7.621 -10.769 343 HG3 LYS 46 HG3 LYS 46 0.356 6.085 -11.480 344 HD2 LYS 46 HD2 LYS 46 -2.507 6.408 -11.636 345 HD3 LYS 46 HD3 LYS 46 -1.680 7.785 -12.366 346 HE2 LYS 46 HE2 LYS 46 -0.222 5.901 -13.479 347 HE3 LYS 46 HE3 LYS 46 -1.640 4.908 -13.144 348 HZ1 LYS 46 HZ1 LYS 46 -2.073 5.719 -15.240 349 HZ2 LYS 46 HZ2 LYS 46 -1.389 7.234 -14.931 350 HZ3 LYS 46 HZ3 LYS 46 -2.897 6.839 -14.276 351 H TYR 47 H TYR 47 -0.237 6.080 -7.065 352 HA TYR 47 HA TYR 47 -1.786 4.114 -5.753 353 HB2 TYR 47 HB2 TYR 47 0.790 4.551 -5.715 354 HB3 TYR 47 HB3 TYR 47 0.408 5.613 -4.364 355 HD1 TYR 47 HD1 TYR 47 -0.192 2.124 -5.549 356 HD2 TYR 47 HD2 TYR 47 0.343 4.726 -2.226 357 HE1 TYR 47 HE1 TYR 47 -0.203 0.185 -4.037 358 HE2 TYR 47 HE2 TYR 47 0.335 2.795 -0.705 359 HH TYR 47 HH TYR 47 -0.364 0.532 -0.605 360 H GLU 48 H GLU 48 -1.481 7.566 -5.360 361 HA GLU 48 HA GLU 48 -2.654 7.733 -2.780 362 HB2 GLU 48 HB2 GLU 48 -1.287 9.542 -3.677 363 HB3 GLU 48 HB3 GLU 48 -2.444 9.801 -4.974 364 HG2 GLU 48 HG2 GLU 48 -3.650 9.942 -2.331 365 HG3 GLU 48 HG3 GLU 48 -2.371 11.131 -2.576 366 H GLU 49 H GLU 49 -3.947 7.809 -6.059 367 HA GLU 49 HA GLU 49 -6.568 8.609 -5.358 368 HB2 GLU 49 HB2 GLU 49 -5.202 8.152 -7.716 369 HB3 GLU 49 HB3 GLU 49 -6.399 6.864 -7.698 370 HG2 GLU 49 HG2 GLU 49 -7.852 9.085 -6.969 371 HG3 GLU 49 HG3 GLU 49 -6.722 9.710 -8.170 372 H LEU 50 H LEU 50 -5.436 5.380 -6.380 373 HA LEU 50 HA LEU 50 -7.732 3.980 -5.668 374 HB2 LEU 50 HB2 LEU 50 -5.874 3.111 -7.070 375 HB3 LEU 50 HB3 LEU 50 -4.897 2.948 -5.625 376 HG LEU 50 HG LEU 50 -5.999 0.837 -6.511 377 HD11 LEU 50 HD11 LEU 50 -5.800 -0.034 -4.460 378 HD12 LEU 50 HD12 LEU 50 -6.976 1.080 -3.763 379 HD13 LEU 50 HD13 LEU 50 -5.305 1.593 -3.992 380 HD21 LEU 50 HD21 LEU 50 -8.309 0.451 -5.985 381 HD22 LEU 50 HD22 LEU 50 -8.193 1.905 -6.977 382 HD23 LEU 50 HD23 LEU 50 -8.451 2.042 -5.238 383 H GLY 51 H GLY 51 -5.052 5.064 -3.712 384 HA2 GLY 51 HA2 GLY 51 -5.349 3.426 -1.474 385 HA3 GLY 51 HA3 GLY 51 -4.745 5.076 -1.441 386 H ALA 52 H ALA 52 -6.599 6.747 -1.776 387 HA ALA 52 HA ALA 52 -8.325 6.521 0.451 388 HB1 ALA 52 HB1 ALA 52 -9.116 8.670 -0.116 389 HB2 ALA 52 HB2 ALA 52 -8.672 8.471 -1.811 390 HB3 ALA 52 HB3 ALA 52 -7.416 8.648 -0.585 391 H LEU 53 H LEU 53 -8.631 5.608 -2.867 392 HA LEU 53 HA LEU 53 -11.330 5.713 -3.354 393 HB2 LEU 53 HB2 LEU 53 -9.141 3.891 -4.208 394 HB3 LEU 53 HB3 LEU 53 -10.784 3.395 -4.560 395 HG LEU 53 HG LEU 53 -9.320 5.819 -5.579 396 HD11 LEU 53 HD11 LEU 53 -8.893 4.387 -7.229 397 HD12 LEU 53 HD12 LEU 53 -10.599 4.531 -7.651 398 HD13 LEU 53 HD13 LEU 53 -10.054 3.208 -6.620 399 HD21 LEU 53 HD21 LEU 53 -12.220 5.378 -5.256 400 HD22 LEU 53 HD22 LEU 53 -11.686 5.990 -6.822 401 HD23 LEU 53 HD23 LEU 53 -11.298 6.879 -5.350 402 H TYR 54 H TYR 54 -9.722 2.711 -2.266 403 HA TYR 54 HA TYR 54 -12.253 1.723 -1.248 404 HB2 TYR 54 HB2 TYR 54 -9.492 0.488 -1.257 405 HB3 TYR 54 HB3 TYR 54 -10.950 -0.324 -0.700 406 HD1 TYR 54 HD1 TYR 54 -12.803 0.758 -2.885 407 HD2 TYR 54 HD2 TYR 54 -8.925 -0.985 -3.023 408 HE1 TYR 54 HE1 TYR 54 -13.241 -0.019 -5.176 409 HE2 TYR 54 HE2 TYR 54 -9.351 -1.766 -5.315 410 HH TYR 54 HH TYR 54 -11.638 -2.333 -6.671 411 H ALA 55 H ALA 55 -9.286 3.039 0.023 412 HA ALA 55 HA ALA 55 -9.296 2.216 2.626 413 HB1 ALA 55 HB1 ALA 55 -8.254 4.408 3.179 414 HB2 ALA 55 HB2 ALA 55 -8.625 4.940 1.540 415 HB3 ALA 55 HB3 ALA 55 -7.525 3.587 1.800 416 H LYS 56 H LYS 56 -11.523 4.469 1.122 417 HA LYS 56 HA LYS 56 -12.910 4.669 3.713 418 HB2 LYS 56 HB2 LYS 56 -11.705 6.772 3.066 419 HB3 LYS 56 HB3 LYS 56 -12.781 6.892 1.683 420 HG2 LYS 56 HG2 LYS 56 -14.488 6.550 3.836 421 HG3 LYS 56 HG3 LYS 56 -13.225 7.619 4.447 422 HD2 LYS 56 HD2 LYS 56 -14.840 8.043 1.932 423 HD3 LYS 56 HD3 LYS 56 -15.071 8.888 3.464 424 HE2 LYS 56 HE2 LYS 56 -13.495 10.364 2.942 425 HE3 LYS 56 HE3 LYS 56 -12.326 9.075 2.659 426 HZ1 LYS 56 HZ1 LYS 56 -13.490 8.841 0.413 427 HZ2 LYS 56 HZ2 LYS 56 -12.464 10.168 0.633 428 HZ3 LYS 56 HZ3 LYS 56 -14.141 10.372 0.726 429 H SER 57 H SER 57 -13.224 4.345 0.231 430 HA SER 57 HA SER 57 -16.060 4.722 0.266 431 HB2 SER 57 HB2 SER 57 -14.448 5.146 -1.686 432 HB3 SER 57 HB3 SER 57 -14.570 3.413 -1.986 433 HG SER 57 HG SER 57 -16.432 5.417 -2.374 434 H GLU 58 H GLU 58 -14.111 1.790 -0.475 435 HA GLU 58 HA GLU 58 -16.535 0.206 -0.109 436 HB2 GLU 58 HB2 GLU 58 -13.940 -0.203 -1.482 437 HB3 GLU 58 HB3 GLU 58 -14.762 -1.634 -0.874 438 HG2 GLU 58 HG2 GLU 58 -15.287 -1.135 -3.225 439 HG3 GLU 58 HG3 GLU 58 -16.710 -1.141 -2.183 440 H PHE 59 H PHE 59 -13.132 -0.163 0.914 441 HA PHE 59 HA PHE 59 -14.096 -1.748 3.188 442 HB2 PHE 59 HB2 PHE 59 -11.372 -1.586 1.894 443 HB3 PHE 59 HB3 PHE 59 -11.720 -2.525 3.343 444 HD1 PHE 59 HD1 PHE 59 -12.708 -2.128 -0.214 445 HD2 PHE 59 HD2 PHE 59 -12.509 -4.705 3.167 446 HE1 PHE 59 HE1 PHE 59 -13.410 -4.021 -1.620 447 HE2 PHE 59 HE2 PHE 59 -13.209 -6.603 1.766 448 HZ PHE 59 HZ PHE 59 -13.660 -6.262 -0.631 449 H LYS 60 H LYS 60 -14.369 1.024 3.333 450 HA LYS 60 HA LYS 60 -12.454 2.571 4.434 451 HB2 LYS 60 HB2 LYS 60 -14.266 3.639 5.787 452 HB3 LYS 60 HB3 LYS 60 -14.633 3.439 4.080 453 HG2 LYS 60 HG2 LYS 60 -16.164 1.739 4.472 454 HG3 LYS 60 HG3 LYS 60 -15.522 1.405 6.081 455 HD2 LYS 60 HD2 LYS 60 -17.198 2.659 6.861 456 HD3 LYS 60 HD3 LYS 60 -16.306 4.049 6.239 457 HE2 LYS 60 HE2 LYS 60 -17.577 3.199 3.998 458 HE3 LYS 60 HE3 LYS 60 -18.753 2.763 5.237 459 HZ1 LYS 60 HZ1 LYS 60 -19.082 5.013 4.342 460 HZ2 LYS 60 HZ2 LYS 60 -17.559 5.464 4.925 461 HZ3 LYS 60 HZ3 LYS 60 -18.781 5.022 6.008 462 H ASP 61 H ASP 61 -14.153 -0.043 6.064 463 HA ASP 61 HA ASP 61 -12.359 0.334 8.372 464 HB2 ASP 61 HB2 ASP 61 -15.252 -0.177 8.214 465 HB3 ASP 61 HB3 ASP 61 -14.395 -1.205 9.359 466 H ARG 62 H ARG 62 -11.933 -1.243 5.883 467 HA ARG 62 HA ARG 62 -11.229 -3.740 7.211 468 HB2 ARG 62 HB2 ARG 62 -13.072 -3.523 4.859 469 HB3 ARG 62 HB3 ARG 62 -12.088 -4.960 5.095 470 HG2 ARG 62 HG2 ARG 62 -13.155 -5.479 7.133 471 HG3 ARG 62 HG3 ARG 62 -13.917 -3.890 7.222 472 HD2 ARG 62 HD2 ARG 62 -15.676 -5.145 6.468 473 HD3 ARG 62 HD3 ARG 62 -14.976 -4.631 4.934 474 HE ARG 62 HE ARG 62 -13.726 -6.973 5.408 475 HH11 ARG 62 HH11 ARG 62 -17.091 -6.048 5.398 476 HH12 ARG 62 HH12 ARG 62 -17.648 -7.612 4.906 477 HH21 ARG 62 HH21 ARG 62 -14.457 -9.030 4.761 478 HH22 ARG 62 HH22 ARG 62 -16.154 -9.305 4.545 479 H VAL 63 H VAL 63 -10.115 -1.244 5.518 480 HA VAL 63 HA VAL 63 -7.934 -2.822 4.421 481 HB VAL 63 HB VAL 63 -9.682 -2.443 2.591 482 HG11 VAL 63 HG11 VAL 63 -8.482 0.306 2.434 483 HG12 VAL 63 HG12 VAL 63 -10.000 -0.005 3.273 484 HG13 VAL 63 HG13 VAL 63 -9.861 -0.347 1.549 485 HG21 VAL 63 HG21 VAL 63 -6.815 -1.588 2.248 486 HG22 VAL 63 HG22 VAL 63 -7.910 -1.923 0.907 487 HG23 VAL 63 HG23 VAL 63 -7.489 -3.205 2.043 488 H VAL 64 H VAL 64 -5.998 -1.697 4.148 489 HA VAL 64 HA VAL 64 -5.930 1.122 4.911 490 HB VAL 64 HB VAL 64 -4.154 -0.905 6.271 491 HG11 VAL 64 HG11 VAL 64 -4.396 2.054 6.313 492 HG12 VAL 64 HG12 VAL 64 -2.962 1.033 6.415 493 HG13 VAL 64 HG13 VAL 64 -4.003 1.235 7.825 494 HG21 VAL 64 HG21 VAL 64 -6.128 -1.393 7.319 495 HG22 VAL 64 HG22 VAL 64 -6.802 0.212 7.037 496 HG23 VAL 64 HG23 VAL 64 -5.595 -0.028 8.300 497 H ILE 65 H ILE 65 -5.030 1.931 3.111 498 HA ILE 65 HA ILE 65 -2.650 0.590 2.009 499 HB ILE 65 HB ILE 65 -4.397 2.631 0.631 500 HG12 ILE 65 HG12 ILE 65 -4.393 -0.385 0.373 501 HG13 ILE 65 HG13 ILE 65 -5.672 0.587 1.093 502 HG21 ILE 65 HG21 ILE 65 -2.902 0.864 -1.081 503 HG22 ILE 65 HG22 ILE 65 -1.830 1.702 0.041 504 HG23 ILE 65 HG23 ILE 65 -2.902 2.626 -1.010 505 HD11 ILE 65 HD11 ILE 65 -5.942 -0.262 -1.321 506 HD12 ILE 65 HD12 ILE 65 -4.833 1.044 -1.737 507 HD13 ILE 65 HD13 ILE 65 -6.370 1.408 -0.952 508 H ALA 66 H ALA 66 -0.839 1.482 2.792 509 HA ALA 66 HA ALA 66 -0.712 4.424 2.927 510 HB1 ALA 66 HB1 ALA 66 0.139 2.360 4.873 511 HB2 ALA 66 HB2 ALA 66 -0.539 3.964 5.144 512 HB3 ALA 66 HB3 ALA 66 1.158 3.788 4.701 513 H LYS 67 H LYS 67 1.442 5.341 2.679 514 HA LYS 67 HA LYS 67 3.254 3.677 1.067 515 HB2 LYS 67 HB2 LYS 67 3.680 5.635 -0.386 516 HB3 LYS 67 HB3 LYS 67 2.015 5.077 -0.477 517 HG2 LYS 67 HG2 LYS 67 1.884 6.958 1.502 518 HG3 LYS 67 HG3 LYS 67 3.093 7.638 0.411 519 HD2 LYS 67 HD2 LYS 67 0.612 6.530 -0.789 520 HD3 LYS 67 HD3 LYS 67 0.490 8.060 0.081 521 HE2 LYS 67 HE2 LYS 67 2.761 7.874 -1.770 522 HE3 LYS 67 HE3 LYS 67 1.176 7.810 -2.541 523 HZ1 LYS 67 HZ1 LYS 67 2.480 10.008 -1.161 524 HZ2 LYS 67 HZ2 LYS 67 0.823 9.841 -0.866 525 HZ3 LYS 67 HZ3 LYS 67 1.384 10.034 -2.450 526 H VAL 68 H VAL 68 5.270 3.677 1.820 527 HA VAL 68 HA VAL 68 6.142 5.950 3.480 528 HB VAL 68 HB VAL 68 5.674 3.977 4.873 529 HG11 VAL 68 HG11 VAL 68 7.185 2.637 2.785 530 HG12 VAL 68 HG12 VAL 68 6.061 1.976 3.972 531 HG13 VAL 68 HG13 VAL 68 7.752 2.229 4.404 532 HG21 VAL 68 HG21 VAL 68 7.582 5.637 5.296 533 HG22 VAL 68 HG22 VAL 68 8.650 4.330 4.785 534 HG23 VAL 68 HG23 VAL 68 7.601 4.115 6.186 535 H ASP 69 H ASP 69 8.491 6.237 3.599 536 HA ASP 69 HA ASP 69 9.727 5.668 1.012 537 HB2 ASP 69 HB2 ASP 69 10.985 7.421 3.090 538 HB3 ASP 69 HB3 ASP 69 11.082 7.526 1.338 539 H ALA 70 H ALA 70 11.819 4.754 0.853 540 HA ALA 70 HA ALA 70 12.403 2.893 3.001 541 HB1 ALA 70 HB1 ALA 70 12.461 2.608 0.323 542 HB2 ALA 70 HB2 ALA 70 13.363 1.586 1.442 543 HB3 ALA 70 HB3 ALA 70 14.162 2.941 0.645 544 H THR 71 H THR 71 13.249 6.008 2.500 545 HA THR 71 HA THR 71 15.946 5.612 3.617 546 HB THR 71 HB THR 71 15.968 6.638 1.384 547 HG1 THR 71 HG1 THR 71 17.648 7.374 2.489 548 HG21 THR 71 HG21 THR 71 13.892 7.803 1.292 549 HG22 THR 71 HG22 THR 71 15.195 8.982 1.145 550 HG23 THR 71 HG23 THR 71 14.334 8.804 2.674 551 H ALA 72 H ALA 72 13.508 5.734 5.221 552 HA ALA 72 HA ALA 72 14.367 7.506 7.211 553 HB1 ALA 72 HB1 ALA 72 13.739 9.377 5.992 554 HB2 ALA 72 HB2 ALA 72 12.358 9.108 7.056 555 HB3 ALA 72 HB3 ALA 72 12.282 8.605 5.367 556 H ASN 73 H ASN 73 13.704 5.007 7.601 557 HA ASN 73 HA ASN 73 11.890 4.969 9.647 558 HB2 ASN 73 HB2 ASN 73 10.011 3.606 8.431 559 HB3 ASN 73 HB3 ASN 73 9.977 5.366 8.410 560 HD21 ASN 73 HD21 ASN 73 10.039 6.402 6.517 561 HD22 ASN 73 HD22 ASN 73 10.211 5.634 4.979 562 H ASP 74 H ASP 74 10.871 2.577 9.873 563 HA ASP 74 HA ASP 74 13.007 0.870 10.305 564 HB2 ASP 74 HB2 ASP 74 10.402 0.828 10.999 565 HB3 ASP 74 HB3 ASP 74 10.392 -0.413 9.749 566 H VAL 75 H VAL 75 10.470 0.248 7.875 567 HA VAL 75 HA VAL 75 10.513 -1.049 5.989 568 HB VAL 75 HB VAL 75 11.323 1.085 5.133 569 HG11 VAL 75 HG11 VAL 75 13.815 1.323 4.744 570 HG12 VAL 75 HG12 VAL 75 14.023 0.022 5.916 571 HG13 VAL 75 HG13 VAL 75 13.255 1.533 6.403 572 HG21 VAL 75 HG21 VAL 75 11.759 0.259 3.084 573 HG22 VAL 75 HG22 VAL 75 11.440 -1.294 3.856 574 HG23 VAL 75 HG23 VAL 75 13.100 -0.734 3.653 575 HA PRO 76 HA PRO 76 13.965 -3.811 7.777 576 HB2 PRO 76 HB2 PRO 76 12.247 -5.835 8.497 577 HB3 PRO 76 HB3 PRO 76 12.810 -4.570 9.593 578 HG2 PRO 76 HG2 PRO 76 10.235 -4.763 8.084 579 HG3 PRO 76 HG3 PRO 76 10.521 -4.229 9.751 580 HD2 PRO 76 HD2 PRO 76 10.105 -2.474 7.762 581 HD3 PRO 76 HD3 PRO 76 11.235 -2.126 9.087 582 H ASP 77 H ASP 77 11.124 -4.322 5.769 583 HA ASP 77 HA ASP 77 11.825 -6.754 4.588 584 HB2 ASP 77 HB2 ASP 77 10.324 -4.441 3.339 585 HB3 ASP 77 HB3 ASP 77 10.323 -6.103 2.754 586 H GLU 78 H GLU 78 12.970 -7.306 2.749 587 HA GLU 78 HA GLU 78 15.101 -5.483 2.036 588 HB2 GLU 78 HB2 GLU 78 15.969 -7.394 0.721 589 HB3 GLU 78 HB3 GLU 78 15.673 -7.805 2.405 590 HG2 GLU 78 HG2 GLU 78 13.295 -8.427 1.132 591 HG3 GLU 78 HG3 GLU 78 14.544 -8.931 -0.006 592 H ILE 79 H ILE 79 15.470 -4.582 0.035 593 HA ILE 79 HA ILE 79 13.453 -5.013 -2.054 594 HB ILE 79 HB ILE 79 14.401 -2.238 -1.392 595 HG12 ILE 79 HG12 ILE 79 13.205 -3.193 0.583 596 HG13 ILE 79 HG13 ILE 79 12.381 -1.817 -0.148 597 HG21 ILE 79 HG21 ILE 79 12.473 -3.471 -3.254 598 HG22 ILE 79 HG22 ILE 79 13.497 -2.049 -3.449 599 HG23 ILE 79 HG23 ILE 79 12.001 -1.936 -2.524 600 HD11 ILE 79 HD11 ILE 79 11.423 -4.470 0.315 601 HD12 ILE 79 HD12 ILE 79 11.345 -4.093 -1.406 602 HD13 ILE 79 HD13 ILE 79 10.547 -3.041 -0.236 603 H GLN 80 H GLN 80 14.153 -4.630 -4.162 604 HA GLN 80 HA GLN 80 16.993 -4.848 -4.597 605 HB2 GLN 80 HB2 GLN 80 14.652 -4.561 -6.497 606 HB3 GLN 80 HB3 GLN 80 16.316 -4.786 -7.023 607 HG2 GLN 80 HG2 GLN 80 15.907 -6.963 -6.987 608 HG3 GLN 80 HG3 GLN 80 15.915 -6.844 -5.229 609 HE21 GLN 80 HE22 GLN 80 14.000 -7.251 -8.059 610 HE22 GLN 80 HE32 GLN 80 12.497 -7.554 -7.263 611 H GLY 81 H GLY 81 14.446 -2.511 -5.131 612 HA2 GLY 81 HA2 GLY 81 16.433 -0.341 -5.212 613 HA3 GLY 81 HA3 GLY 81 15.129 -0.395 -6.402 614 H PHE 82 H PHE 82 12.992 -0.075 -5.738 615 HA PHE 82 HA PHE 82 12.219 0.234 -3.063 616 HB2 PHE 82 HB2 PHE 82 11.949 2.827 -4.480 617 HB3 PHE 82 HB3 PHE 82 11.822 2.428 -2.755 618 HD1 PHE 82 HD2 PHE 82 14.147 3.130 -5.510 619 HD2 PHE 82 HD1 PHE 82 13.769 2.360 -1.343 620 HE1 PHE 82 HE2 PHE 82 16.472 3.861 -5.169 621 HE2 PHE 82 HE1 PHE 82 16.093 3.091 -0.992 622 HZ PHE 82 HZ PHE 82 17.448 3.840 -2.907 623 HA PRO 83 HA PRO 83 8.662 1.905 -5.912 624 HB2 PRO 83 HB2 PRO 83 9.250 0.722 -8.360 625 HB3 PRO 83 HB3 PRO 83 9.146 2.432 -7.970 626 HG2 PRO 83 HG2 PRO 83 11.542 0.697 -8.202 627 HG3 PRO 83 HG3 PRO 83 11.360 2.422 -8.585 628 HD2 PRO 83 HD2 PRO 83 12.598 1.661 -6.365 629 HD3 PRO 83 HD3 PRO 83 11.489 3.052 -6.344 630 H THR 84 H THR 84 8.487 0.284 -4.317 631 HA THR 84 HA THR 84 7.889 -2.402 -5.323 632 HB THR 84 HB THR 84 8.132 -2.848 -2.736 633 HG1 THR 84 HG1 THR 84 9.676 -1.459 -1.830 634 HG21 THR 84 HG21 THR 84 9.663 -3.573 -4.663 635 HG22 THR 84 HG22 THR 84 10.305 -3.557 -3.020 636 HG23 THR 84 HG23 THR 84 10.685 -2.236 -4.129 637 H ILE 85 H ILE 85 6.055 -3.458 -4.664 638 HA ILE 85 HA ILE 85 4.055 -1.949 -3.141 639 HB ILE 85 HB ILE 85 3.230 -3.418 -5.628 640 HG12 ILE 85 HG12 ILE 85 3.866 -0.463 -5.475 641 HG13 ILE 85 HG13 ILE 85 4.897 -1.662 -6.250 642 HG21 ILE 85 HG21 ILE 85 1.469 -2.945 -4.077 643 HG22 ILE 85 HG22 ILE 85 1.298 -1.860 -5.457 644 HG23 ILE 85 HG23 ILE 85 1.975 -1.261 -3.943 645 HD11 ILE 85 HD11 ILE 85 3.714 -0.715 -8.004 646 HD12 ILE 85 HD12 ILE 85 2.205 -0.671 -7.092 647 HD13 ILE 85 HD13 ILE 85 2.838 -2.210 -7.675 648 H LYS 86 H LYS 86 3.769 -3.241 -1.433 649 HA LYS 86 HA LYS 86 3.552 -6.138 -1.892 650 HB2 LYS 86 HB2 LYS 86 5.236 -4.862 -0.196 651 HB3 LYS 86 HB3 LYS 86 3.869 -5.149 0.872 652 HG2 LYS 86 HG2 LYS 86 3.972 -7.534 0.380 653 HG3 LYS 86 HG3 LYS 86 5.330 -7.253 -0.711 654 HD2 LYS 86 HD2 LYS 86 5.665 -6.154 1.994 655 HD3 LYS 86 HD3 LYS 86 5.570 -7.914 1.914 656 HE2 LYS 86 HE2 LYS 86 7.474 -6.150 0.378 657 HE3 LYS 86 HE3 LYS 86 7.879 -7.177 1.752 658 HZ1 LYS 86 HZ1 LYS 86 8.493 -8.451 -0.054 659 HZ2 LYS 86 HZ2 LYS 86 7.179 -7.962 -1.000 660 HZ3 LYS 86 HZ3 LYS 86 6.944 -9.047 0.276 661 H LEU 87 H LEU 87 1.930 -7.327 -0.859 662 HA LEU 87 HA LEU 87 -0.286 -5.777 0.287 663 HB2 LEU 87 HB2 LEU 87 -0.675 -6.382 -2.139 664 HB3 LEU 87 HB3 LEU 87 -0.667 -8.062 -1.643 665 HG LEU 87 HG LEU 87 -2.944 -7.118 -1.938 666 HD11 LEU 87 HD11 LEU 87 -2.301 -9.000 -0.327 667 HD12 LEU 87 HD12 LEU 87 -3.873 -8.229 -0.116 668 HD13 LEU 87 HD13 LEU 87 -2.534 -7.804 0.948 669 HD21 LEU 87 HD21 LEU 87 -1.878 -4.986 -0.422 670 HD22 LEU 87 HD22 LEU 87 -3.156 -5.726 0.542 671 HD23 LEU 87 HD23 LEU 87 -3.502 -5.149 -1.088 672 H TYR 88 H TYR 88 -0.712 -6.488 2.252 673 HA TYR 88 HA TYR 88 0.083 -9.191 3.019 674 HB2 TYR 88 HB2 TYR 88 -0.166 -6.633 4.381 675 HB3 TYR 88 HB3 TYR 88 -0.970 -7.924 5.268 676 HD1 TYR 88 HD1 TYR 88 2.263 -7.266 3.508 677 HD2 TYR 88 HD2 TYR 88 0.285 -9.148 6.771 678 HE1 TYR 88 HE1 TYR 88 4.436 -7.999 4.395 679 HE2 TYR 88 HE2 TYR 88 2.452 -9.886 7.667 680 HH TYR 88 HH TYR 88 5.424 -8.681 6.517 681 HA PRO 89 HA PRO 89 -4.302 -10.163 2.316 682 HB2 PRO 89 HB2 PRO 89 -3.978 -12.865 2.582 683 HB3 PRO 89 HB3 PRO 89 -3.691 -11.985 1.077 684 HG2 PRO 89 HG2 PRO 89 -1.728 -12.936 3.121 685 HG3 PRO 89 HG3 PRO 89 -1.606 -12.958 1.353 686 HD2 PRO 89 HD2 PRO 89 -0.357 -11.101 2.868 687 HD3 PRO 89 HD3 PRO 89 -0.973 -10.744 1.242 688 H ALA 90 H ALA 90 -5.763 -10.007 3.875 689 HA ALA 90 HA ALA 90 -5.254 -10.138 6.596 690 HB1 ALA 90 HB1 ALA 90 -8.003 -10.825 5.777 691 HB2 ALA 90 HB2 ALA 90 -7.351 -9.325 5.117 692 HB3 ALA 90 HB3 ALA 90 -7.420 -9.563 6.863 693 H GLY 91 H GLY 91 -4.921 -11.758 7.959 694 HA2 GLY 91 HA2 GLY 91 -5.453 -13.832 8.974 695 HA3 GLY 91 HA3 GLY 91 -6.181 -14.356 7.462 696 H ALA 92 H ALA 92 -3.852 -13.406 5.909 697 HA ALA 92 HA ALA 92 -2.004 -15.598 6.582 698 HB1 ALA 92 HB1 ALA 92 -2.866 -16.189 4.522 699 HB2 ALA 92 HB2 ALA 92 -1.402 -15.318 4.065 700 HB3 ALA 92 HB3 ALA 92 -2.971 -14.518 3.968 701 H LYS 93 H LYS 93 -0.793 -14.217 7.981 702 HA LYS 93 HA LYS 93 0.537 -11.924 6.779 703 HB2 LYS 93 HB2 LYS 93 1.658 -12.003 9.203 704 HB3 LYS 93 HB3 LYS 93 0.090 -11.270 8.911 705 HG2 LYS 93 HG2 LYS 93 0.087 -12.672 10.906 706 HG3 LYS 93 HG3 LYS 93 -1.024 -13.283 9.680 707 HD2 LYS 93 HD2 LYS 93 0.062 -15.201 10.432 708 HD3 LYS 93 HD3 LYS 93 0.942 -14.787 8.961 709 HE2 LYS 93 HE2 LYS 93 2.776 -13.964 10.148 710 HE3 LYS 93 HE3 LYS 93 1.849 -13.791 11.638 711 HZ1 LYS 93 HZ1 LYS 93 2.925 -15.693 12.137 712 HZ2 LYS 93 HZ2 LYS 93 3.148 -16.144 10.522 713 HZ3 LYS 93 HZ3 LYS 93 1.655 -16.404 11.273 714 H GLY 94 H GLY 94 1.295 -14.080 5.409 715 HA2 GLY 94 HA2 GLY 94 4.130 -14.165 5.925 716 HA3 GLY 94 HA3 GLY 94 3.329 -15.709 6.167 717 H GLN 95 H GLN 95 2.036 -13.599 3.750 718 HA GLN 95 HA GLN 95 3.569 -14.867 1.624 719 HB2 GLN 95 HB2 GLN 95 0.551 -15.017 1.706 720 HB3 GLN 95 HB3 GLN 95 1.590 -15.625 0.426 721 HG2 GLN 95 HG2 GLN 95 1.660 -16.623 3.261 722 HG3 GLN 95 HG3 GLN 95 0.708 -17.361 1.974 723 HE21 GLN 95 HE22 GLN 95 2.321 -17.371 -0.145 724 HE22 GLN 95 HE32 GLN 95 3.750 -18.293 0.158 725 HA PRO 96 HA PRO 96 2.106 -10.376 0.998 726 HB2 PRO 96 HB2 PRO 96 4.978 -9.745 1.037 727 HB3 PRO 96 HB3 PRO 96 3.649 -8.972 1.905 728 HG2 PRO 96 HG2 PRO 96 5.480 -10.494 3.160 729 HG3 PRO 96 HG3 PRO 96 3.788 -10.426 3.684 730 HD2 PRO 96 HD2 PRO 96 5.198 -12.535 2.096 731 HD3 PRO 96 HD3 PRO 96 3.994 -12.708 3.387 732 H VAL 97 H VAL 97 1.825 -9.786 -1.071 733 HA VAL 97 HA VAL 97 3.240 -11.179 -3.154 734 HB VAL 97 HB VAL 97 1.821 -9.974 -4.718 735 HG11 VAL 97 HG11 VAL 97 0.960 -11.759 -2.768 736 HG12 VAL 97 HG12 VAL 97 0.151 -11.378 -4.288 737 HG13 VAL 97 HG13 VAL 97 -0.287 -10.513 -2.816 738 HG21 VAL 97 HG21 VAL 97 0.024 -8.456 -3.651 739 HG22 VAL 97 HG22 VAL 97 1.636 -7.796 -3.928 740 HG23 VAL 97 HG23 VAL 97 1.163 -8.317 -2.312 741 H THR 98 H THR 98 4.460 -10.193 -4.848 742 HA THR 98 HA THR 98 5.593 -7.564 -4.170 743 HB THR 98 HB THR 98 7.344 -9.636 -5.415 744 HG1 THR 98 HG1 THR 98 7.915 -10.338 -3.302 745 HG21 THR 98 HG21 THR 98 7.724 -7.236 -3.690 746 HG22 THR 98 HG22 THR 98 8.506 -7.665 -5.212 747 HG23 THR 98 HG23 THR 98 8.948 -8.505 -3.725 748 H TYR 99 H TYR 99 5.000 -6.234 -5.744 749 HA TYR 99 HA TYR 99 4.307 -7.100 -8.362 750 HB2 TYR 99 HB2 TYR 99 4.171 -4.668 -6.831 751 HB3 TYR 99 HB3 TYR 99 4.814 -4.325 -8.434 752 HD1 TYR 99 HD1 TYR 99 3.466 -5.623 -10.377 753 HD2 TYR 99 HD2 TYR 99 1.890 -4.522 -6.583 754 HE1 TYR 99 HE1 TYR 99 1.193 -5.690 -11.309 755 HE2 TYR 99 HE2 TYR 99 -0.389 -4.584 -7.505 756 HH TYR 99 HH TYR 99 -1.143 -6.008 -10.447 757 H SER 100 H SER 100 5.474 -7.193 -10.193 758 HA SER 100 HA SER 100 8.334 -6.576 -9.991 759 HB2 SER 100 HB2 SER 100 8.291 -7.936 -12.246 760 HB3 SER 100 HB3 SER 100 8.194 -8.777 -10.700 761 HG SER 100 HG SER 100 6.386 -8.665 -12.704 762 H GLY 101 H GLY 101 6.074 -4.646 -10.554 763 HA2 GLY 101 HA2 GLY 101 6.838 -2.607 -11.806 764 HA3 GLY 101 HA3 GLY 101 7.024 -3.685 -13.182 765 H SER 102 H SER 102 4.834 -1.828 -11.276 766 HA SER 102 HA SER 102 2.381 -2.870 -12.124 767 HB2 SER 102 HB2 SER 102 1.423 -0.727 -11.459 768 HB3 SER 102 HB3 SER 102 2.633 -1.234 -10.281 769 HG SER 102 HG SER 102 4.075 0.225 -11.172 770 H ARG 103 H ARG 103 1.143 -2.602 -13.904 771 HA ARG 103 HA ARG 103 2.386 -1.230 -16.174 772 HB2 ARG 103 HB2 ARG 103 1.640 -3.656 -16.307 773 HB3 ARG 103 HB3 ARG 103 -0.012 -3.058 -16.244 774 HG2 ARG 103 HG2 ARG 103 0.022 -2.352 -18.374 775 HG3 ARG 103 HG3 ARG 103 1.692 -1.791 -18.273 776 HD2 ARG 103 HD2 ARG 103 2.499 -3.706 -19.105 777 HD3 ARG 103 HD3 ARG 103 1.435 -4.692 -18.103 778 HE ARG 103 HE ARG 103 0.027 -4.894 -19.886 779 HH11 ARG 103 HH11 ARG 103 2.115 -2.152 -20.435 780 HH12 ARG 103 HH12 ARG 103 1.540 -1.879 -22.046 781 HH21 ARG 103 HH21 ARG 103 -0.732 -4.534 -22.003 782 HH22 ARG 103 HH22 ARG 103 -0.077 -3.230 -22.936 783 H THR 104 H THR 104 -0.454 -1.194 -14.141 784 HA THR 104 HA THR 104 -1.101 1.468 -14.893 785 HB THR 104 HB THR 104 -2.063 0.508 -16.859 786 HG1 THR 104 HG1 THR 104 -4.112 1.224 -16.630 787 HG21 THR 104 HG21 THR 104 -3.735 -1.333 -15.181 788 HG22 THR 104 HG22 THR 104 -2.232 -1.831 -15.960 789 HG23 THR 104 HG23 THR 104 -3.593 -1.281 -16.938 790 H VAL 105 H VAL 105 -3.196 2.179 -13.834 791 HA VAL 105 HA VAL 105 -3.147 1.488 -11.112 792 HB VAL 105 HB VAL 105 -5.425 2.834 -12.566 793 HG11 VAL 105 HG11 VAL 105 -4.534 2.900 -9.686 794 HG12 VAL 105 HG12 VAL 105 -6.012 2.177 -10.321 795 HG13 VAL 105 HG13 VAL 105 -5.791 3.926 -10.377 796 HG21 VAL 105 HG21 VAL 105 -4.263 4.950 -11.869 797 HG22 VAL 105 HG22 VAL 105 -3.456 4.037 -13.144 798 HG23 VAL 105 HG23 VAL 105 -2.851 3.964 -11.489 799 H GLU 106 H GLU 106 -5.488 0.674 -13.664 800 HA GLU 106 HA GLU 106 -7.308 -0.762 -12.152 801 HB2 GLU 106 HB2 GLU 106 -7.968 -1.857 -14.223 802 HB3 GLU 106 HB3 GLU 106 -7.657 -0.151 -14.509 803 HG2 GLU 106 HG2 GLU 106 -5.632 -0.592 -15.609 804 HG3 GLU 106 HG3 GLU 106 -5.582 -2.253 -15.021 805 H ASP 107 H ASP 107 -4.137 -1.682 -13.256 806 HA ASP 107 HA ASP 107 -4.452 -4.487 -12.816 807 HB2 ASP 107 HB2 ASP 107 -2.622 -3.016 -14.156 808 HB3 ASP 107 HB3 ASP 107 -1.737 -3.313 -12.662 809 H LEU 108 H LEU 108 -3.297 -1.770 -10.904 810 HA LEU 108 HA LEU 108 -2.246 -3.300 -8.761 811 HB2 LEU 108 HB2 LEU 108 -3.014 -0.445 -9.160 812 HB3 LEU 108 HB3 LEU 108 -2.745 -1.018 -7.525 813 HG LEU 108 HG LEU 108 -0.700 -1.323 -9.716 814 HD11 LEU 108 HD11 LEU 108 -0.734 0.959 -9.605 815 HD12 LEU 108 HD12 LEU 108 0.374 0.602 -8.280 816 HD13 LEU 108 HD13 LEU 108 -1.315 0.982 -7.940 817 HD21 LEU 108 HD21 LEU 108 -0.837 -2.605 -7.356 818 HD22 LEU 108 HD22 LEU 108 0.029 -1.150 -6.865 819 HD23 LEU 108 HD23 LEU 108 0.679 -2.173 -8.145 820 H ILE 109 H ILE 109 -5.431 -2.054 -9.516 821 HA ILE 109 HA ILE 109 -6.575 -2.514 -6.950 822 HB ILE 109 HB ILE 109 -8.041 -2.399 -9.585 823 HG12 ILE 109 HG12 ILE 109 -7.209 -0.141 -7.749 824 HG13 ILE 109 HG13 ILE 109 -6.590 -0.441 -9.369 825 HG21 ILE 109 HG21 ILE 109 -9.303 -1.234 -7.239 826 HG22 ILE 109 HG22 ILE 109 -8.963 -2.954 -7.047 827 HG23 ILE 109 HG23 ILE 109 -9.935 -2.394 -8.408 828 HD11 ILE 109 HD11 ILE 109 -9.504 0.033 -8.900 829 HD12 ILE 109 HD12 ILE 109 -8.566 0.234 -10.380 830 HD13 ILE 109 HD13 ILE 109 -8.368 1.373 -9.048 831 H LYS 110 H LYS 110 -6.709 -4.314 -10.018 832 HA LYS 110 HA LYS 110 -8.264 -6.452 -9.083 833 HB2 LYS 110 HB2 LYS 110 -6.455 -5.998 -11.400 834 HB3 LYS 110 HB3 LYS 110 -6.879 -7.662 -11.020 835 HG2 LYS 110 HG2 LYS 110 -9.066 -7.387 -11.594 836 HG3 LYS 110 HG3 LYS 110 -9.073 -5.671 -11.182 837 HD2 LYS 110 HD2 LYS 110 -9.094 -5.458 -13.442 838 HD3 LYS 110 HD3 LYS 110 -7.349 -5.604 -13.222 839 HE2 LYS 110 HE2 LYS 110 -7.311 -7.802 -13.954 840 HE3 LYS 110 HE3 LYS 110 -9.023 -8.051 -13.611 841 HZ1 LYS 110 HZ1 LYS 110 -8.419 -7.855 -16.018 842 HZ2 LYS 110 HZ2 LYS 110 -8.053 -6.228 -15.738 843 HZ3 LYS 110 HZ3 LYS 110 -9.629 -6.793 -15.498 844 H PHE 111 H PHE 111 -4.920 -5.697 -8.643 845 HA PHE 111 HA PHE 111 -4.031 -8.337 -8.018 846 HB2 PHE 111 HB2 PHE 111 -2.776 -5.952 -8.527 847 HB3 PHE 111 HB3 PHE 111 -2.551 -6.116 -6.788 848 HD1 PHE 111 HD2 PHE 111 -2.603 -8.681 -9.489 849 HD2 PHE 111 HD1 PHE 111 -0.355 -6.723 -6.452 850 HE1 PHE 111 HE2 PHE 111 -0.732 -10.232 -9.878 851 HE2 PHE 111 HE1 PHE 111 1.519 -8.269 -6.835 852 HZ PHE 111 HZ PHE 111 1.332 -10.027 -8.550 853 H ILE 112 H ILE 112 -4.868 -5.503 -6.040 854 HA ILE 112 HA ILE 112 -4.411 -6.566 -3.527 855 HB ILE 112 HB ILE 112 -6.652 -4.676 -4.253 856 HG12 ILE 112 HG12 ILE 112 -4.118 -3.630 -3.155 857 HG13 ILE 112 HG13 ILE 112 -4.019 -4.260 -4.796 858 HG21 ILE 112 HG21 ILE 112 -6.186 -5.876 -1.849 859 HG22 ILE 112 HG22 ILE 112 -6.996 -4.324 -2.065 860 HG23 ILE 112 HG23 ILE 112 -5.274 -4.375 -1.686 861 HD11 ILE 112 HD11 ILE 112 -4.605 -2.168 -5.342 862 HD12 ILE 112 HD12 ILE 112 -5.337 -1.848 -3.770 863 HD13 ILE 112 HD13 ILE 112 -6.235 -2.745 -4.994 864 H ALA 113 H ALA 113 -7.332 -6.791 -5.527 865 HA ALA 113 HA ALA 113 -8.760 -8.309 -3.547 866 HB1 ALA 113 HB1 ALA 113 -10.402 -7.379 -4.735 867 HB2 ALA 113 HB2 ALA 113 -10.123 -8.664 -5.911 868 HB3 ALA 113 HB3 ALA 113 -9.351 -7.092 -6.122 869 H GLU 114 H GLU 114 -6.528 -9.033 -6.049 870 HA GLU 114 HA GLU 114 -7.408 -11.729 -6.506 871 HB2 GLU 114 HB2 GLU 114 -5.284 -9.960 -7.504 872 HB3 GLU 114 HB3 GLU 114 -4.820 -11.653 -7.401 873 HG2 GLU 114 HG2 GLU 114 -7.039 -12.094 -8.645 874 HG3 GLU 114 HG3 GLU 114 -6.958 -10.381 -9.053 875 H ASN 115 H ASN 115 -4.601 -10.272 -4.859 876 HA ASN 115 HA ASN 115 -3.971 -12.845 -3.645 877 HB2 ASN 115 HB2 ASN 115 -2.408 -10.465 -2.849 878 HB3 ASN 115 HB3 ASN 115 -1.858 -12.068 -3.322 879 HD21 ASN 115 HD21 ASN 115 -2.282 -8.860 -4.265 880 HD22 ASN 115 HD22 ASN 115 -1.851 -9.031 -5.928 881 H GLY 116 H GLY 116 -5.276 -9.715 -2.789 882 HA2 GLY 116 HA2 GLY 116 -5.025 -9.842 -0.005 883 HA3 GLY 116 HA3 GLY 116 -6.281 -8.964 -0.863 884 H LYS 117 H LYS 117 -5.764 -11.274 1.387 885 HA LYS 117 HA LYS 117 -7.542 -13.335 0.805 886 HB2 LYS 117 HB2 LYS 117 -5.939 -12.648 2.943 887 HB3 LYS 117 HB3 LYS 117 -7.557 -12.536 3.620 888 HG2 LYS 117 HG2 LYS 117 -6.541 -14.944 2.132 889 HG3 LYS 117 HG3 LYS 117 -6.441 -14.756 3.884 890 HD2 LYS 117 HD2 LYS 117 -9.030 -14.229 3.581 891 HD3 LYS 117 HD3 LYS 117 -8.802 -15.237 2.150 892 HE2 LYS 117 HE2 LYS 117 -7.825 -16.113 4.847 893 HE3 LYS 117 HE3 LYS 117 -9.498 -16.371 4.354 894 HZ1 LYS 117 HZ1 LYS 117 -8.645 -18.280 3.562 895 HZ2 LYS 117 HZ2 LYS 117 -7.071 -17.673 3.431 896 HZ3 LYS 117 HZ3 LYS 117 -8.214 -17.323 2.234 897 H TYR 118 H TYR 118 -8.126 -10.180 2.284 898 HA TYR 118 HA TYR 118 -10.914 -10.690 2.738 899 HB2 TYR 118 HB2 TYR 118 -9.005 -8.579 3.336 900 HB3 TYR 118 HB3 TYR 118 -10.552 -7.929 2.803 901 HD1 TYR 118 HD1 TYR 118 -9.865 -11.008 4.782 902 HD2 TYR 118 HD2 TYR 118 -11.521 -7.089 4.755 903 HE1 TYR 118 HE1 TYR 118 -10.789 -11.390 7.028 904 HE2 TYR 118 HE2 TYR 118 -12.449 -7.460 7.002 905 HH TYR 118 HH TYR 118 -11.784 -9.051 9.029 906 H LYS 119 H LYS 119 -9.076 -9.823 0.024 907 HA LYS 119 HA LYS 119 -9.642 -9.285 -2.109 908 HB2 LYS 119 HB2 LYS 119 -11.801 -10.739 -1.179 909 HB3 LYS 119 HB3 LYS 119 -12.549 -9.271 -1.790 910 HG2 LYS 119 HG2 LYS 119 -11.503 -9.613 -3.955 911 HG3 LYS 119 HG3 LYS 119 -10.692 -11.058 -3.348 912 HD2 LYS 119 HD2 LYS 119 -12.479 -12.104 -4.253 913 HD3 LYS 119 HD3 LYS 119 -13.243 -11.655 -2.727 914 HE2 LYS 119 HE2 LYS 119 -14.725 -11.044 -4.499 915 HE3 LYS 119 HE3 LYS 119 -14.042 -9.564 -3.826 916 HZ1 LYS 119 HZ1 LYS 119 -12.298 -10.070 -5.766 917 HZ2 LYS 119 HZ2 LYS 119 -13.677 -9.116 -5.986 918 HZ3 LYS 119 HZ3 LYS 119 -13.690 -10.740 -6.458 919 H ALA 120 H ALA 120 -8.979 -7.200 -0.612 920 HA ALA 120 HA ALA 120 -10.907 -5.155 -0.358 921 HB1 ALA 120 HB1 ALA 120 -7.904 -5.107 -0.469 922 HB2 ALA 120 HB2 ALA 120 -8.950 -4.957 0.943 923 HB3 ALA 120 HB3 ALA 120 -8.873 -3.651 -0.239 924 H ALA 121 H ALA 121 -11.969 -5.382 -2.458 925 HA ALA 121 HA ALA 121 -11.341 -3.305 -4.209 926 HB1 ALA 121 HB1 ALA 121 -10.883 -5.686 -5.844 927 HB2 ALA 121 HB2 ALA 121 -9.612 -5.373 -4.662 928 HB3 ALA 121 HB3 ALA 121 -10.046 -4.133 -5.838 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -16.364 26.352 8.192 2 H2 GLY 1 2H GLY 1 -15.186 25.502 7.325 3 H3 GLY 1 3H GLY 1 -16.032 26.766 6.585 4 HA2 GLY 1 HA3 GLY 1 -14.986 28.402 7.899 5 HA3 GLY 1 HA2 GLY 1 -14.318 27.174 8.964 6 HA PRO 2 HA PRO 2 -10.824 28.481 6.233 7 HB2 PRO 2 HB2 PRO 2 -9.467 26.958 8.407 8 HB3 PRO 2 HB3 PRO 2 -9.027 28.504 7.672 9 HG2 PRO 2 HG2 PRO 2 -10.136 28.423 10.089 10 HG3 PRO 2 HG3 PRO 2 -10.569 29.694 8.931 11 HD2 PRO 2 HD2 PRO 2 -12.105 27.270 9.750 12 HD3 PRO 2 HD3 PRO 2 -12.692 28.893 9.333 13 H LEU 3 H LEU 3 -11.464 25.354 7.768 14 HA LEU 3 HA LEU 3 -11.244 23.212 7.036 15 HB2 LEU 3 HB2 LEU 3 -11.582 24.759 4.512 16 HB3 LEU 3 HB3 LEU 3 -11.090 23.080 4.391 17 HG LEU 3 HG LEU 3 -13.514 23.875 5.978 18 HD11 LEU 3 HD11 LEU 3 -14.858 23.988 4.161 19 HD12 LEU 3 HD12 LEU 3 -13.860 22.884 3.214 20 HD13 LEU 3 HD13 LEU 3 -13.375 24.569 3.404 21 HD21 LEU 3 HD21 LEU 3 -13.305 21.343 4.474 22 HD22 LEU 3 HD22 LEU 3 -13.970 21.663 6.076 23 HD23 LEU 3 HD23 LEU 3 -12.225 21.527 5.856 24 H GLY 4 H GLY 4 -9.791 21.748 5.578 25 HA2 GLY 4 HA2 GLY 4 -7.523 21.955 4.408 26 HA3 GLY 4 HA3 GLY 4 -7.038 22.754 5.896 27 H SER 5 H SER 5 -9.033 19.864 5.344 28 HA SER 5 HA SER 5 -7.052 18.321 6.886 29 HB2 SER 5 HB2 SER 5 -9.996 18.559 7.223 30 HB3 SER 5 HB3 SER 5 -9.294 16.956 7.444 31 HG SER 5 HG SER 5 -8.913 17.700 9.382 32 H GLU 6 H GLU 6 -6.054 17.353 5.161 33 HA GLU 6 HA GLU 6 -7.750 15.742 3.373 34 HB2 GLU 6 HB2 GLU 6 -5.219 17.235 2.979 35 HB3 GLU 6 HB3 GLU 6 -5.360 15.700 2.134 36 HG2 GLU 6 HG2 GLU 6 -6.346 16.895 0.535 37 HG3 GLU 6 HG3 GLU 6 -7.763 16.847 1.583 38 H GLY 7 H GLY 7 -6.623 13.708 2.565 39 HA2 GLY 7 HA2 GLY 7 -4.558 12.401 3.809 40 HA3 GLY 7 HA3 GLY 7 -5.945 12.115 4.849 41 HA PRO 8 HA PRO 8 -7.188 10.025 0.699 42 HB2 PRO 8 HB2 PRO 8 -5.417 10.070 -1.354 43 HB3 PRO 8 HB3 PRO 8 -6.623 11.337 -1.103 44 HG2 PRO 8 HG2 PRO 8 -3.720 11.313 -0.370 45 HG3 PRO 8 HG3 PRO 8 -4.680 12.615 -1.098 46 HD2 PRO 8 HD2 PRO 8 -4.071 12.551 1.541 47 HD3 PRO 8 HD3 PRO 8 -5.581 13.252 0.925 48 H VAL 9 H VAL 9 -3.670 9.944 1.215 49 HA VAL 9 HA VAL 9 -3.772 7.005 1.091 50 HB VAL 9 HB VAL 9 -1.294 8.722 0.975 51 HG11 VAL 9 HG11 VAL 9 -0.178 6.765 0.231 52 HG12 VAL 9 HG12 VAL 9 -1.698 5.890 0.042 53 HG13 VAL 9 HG13 VAL 9 -1.114 6.305 1.653 54 HG21 VAL 9 HG21 VAL 9 -2.079 9.382 -1.026 55 HG22 VAL 9 HG22 VAL 9 -3.271 8.084 -1.102 56 HG23 VAL 9 HG23 VAL 9 -1.594 7.769 -1.548 57 H THR 10 H THR 10 -2.929 5.758 2.741 58 HA THR 10 HA THR 10 -2.975 6.937 5.349 59 HB THR 10 HB THR 10 -2.244 4.136 4.470 60 HG1 THR 10 HG1 THR 10 -4.301 3.877 4.311 61 HG21 THR 10 HG21 THR 10 -1.458 4.843 6.784 62 HG22 THR 10 HG22 THR 10 -2.460 3.397 6.670 63 HG23 THR 10 HG23 THR 10 -3.168 4.920 7.207 64 H VAL 11 H VAL 11 -1.303 7.237 6.788 65 HA VAL 11 HA VAL 11 1.359 7.379 5.579 66 HB VAL 11 HB VAL 11 0.421 8.533 8.209 67 HG11 VAL 11 HG11 VAL 11 2.462 9.964 7.921 68 HG12 VAL 11 HG12 VAL 11 2.941 8.897 6.601 69 HG13 VAL 11 HG13 VAL 11 2.786 8.259 8.238 70 HG21 VAL 11 HG21 VAL 11 0.223 9.508 5.433 71 HG22 VAL 11 HG22 VAL 11 0.805 10.674 6.621 72 HG23 VAL 11 HG23 VAL 11 -0.760 9.892 6.846 73 H VAL 12 H VAL 12 2.983 6.081 6.154 74 HA VAL 12 HA VAL 12 2.730 4.516 8.629 75 HB VAL 12 HB VAL 12 3.516 3.466 5.908 76 HG11 VAL 12 HG11 VAL 12 4.181 2.479 8.616 77 HG12 VAL 12 HG12 VAL 12 5.034 2.265 7.088 78 HG13 VAL 12 HG13 VAL 12 3.620 1.277 7.454 79 HG21 VAL 12 HG21 VAL 12 1.484 2.294 7.770 80 HG22 VAL 12 HG22 VAL 12 1.629 2.116 6.022 81 HG23 VAL 12 HG23 VAL 12 1.067 3.640 6.710 82 H VAL 13 H VAL 13 4.558 4.270 9.798 83 HA VAL 13 HA VAL 13 7.141 4.997 8.658 84 HB VAL 13 HB VAL 13 7.143 6.250 11.182 85 HG11 VAL 13 HG11 VAL 13 6.864 7.963 8.804 86 HG12 VAL 13 HG12 VAL 13 8.133 6.740 8.729 87 HG13 VAL 13 HG13 VAL 13 8.123 7.921 10.039 88 HG21 VAL 13 HG21 VAL 13 4.794 7.198 9.543 89 HG22 VAL 13 HG22 VAL 13 5.392 7.912 11.041 90 HG23 VAL 13 HG23 VAL 13 4.679 6.299 11.056 91 H ALA 14 H ALA 14 8.913 4.641 10.353 92 HA ALA 14 HA ALA 14 8.859 2.011 11.247 93 HB1 ALA 14 HB1 ALA 14 10.794 3.857 11.006 94 HB2 ALA 14 HB2 ALA 14 10.988 2.364 11.925 95 HB3 ALA 14 HB3 ALA 14 10.590 3.867 12.757 96 H LYS 15 H LYS 15 7.591 4.863 12.710 97 HA LYS 15 HA LYS 15 7.546 3.964 15.404 98 HB2 LYS 15 HB2 LYS 15 5.907 6.067 13.981 99 HB3 LYS 15 HB3 LYS 15 5.912 5.818 15.723 100 HG2 LYS 15 HG2 LYS 15 8.171 6.498 15.905 101 HG3 LYS 15 HG3 LYS 15 8.399 6.442 14.156 102 HD2 LYS 15 HD2 LYS 15 8.061 8.672 14.334 103 HD3 LYS 15 HD3 LYS 15 6.364 8.190 14.292 104 HE2 LYS 15 HE2 LYS 15 7.560 8.115 16.962 105 HE3 LYS 15 HE3 LYS 15 7.531 9.721 16.235 106 HZ1 LYS 15 HZ1 LYS 15 5.518 9.459 17.410 107 HZ2 LYS 15 HZ2 LYS 15 5.228 7.929 16.751 108 HZ3 LYS 15 HZ3 LYS 15 5.119 9.304 15.773 109 H ASN 16 H ASN 16 5.353 3.622 12.681 110 HA ASN 16 HA ASN 16 3.733 1.795 14.309 111 HB2 ASN 16 HB2 ASN 16 1.742 2.753 12.874 112 HB3 ASN 16 HB3 ASN 16 2.250 3.559 14.355 113 HD21 ASN 16 HD21 ASN 16 2.564 3.598 10.851 114 HD22 ASN 16 HD22 ASN 16 2.902 5.288 10.716 115 H TYR 17 H TYR 17 5.812 1.437 12.224 116 HA TYR 17 HA TYR 17 4.583 0.610 9.804 117 HB2 TYR 17 HB2 TYR 17 7.023 1.158 10.108 118 HB3 TYR 17 HB3 TYR 17 7.198 -0.375 10.955 119 HD1 TYR 17 HD1 TYR 17 6.227 -2.466 9.567 120 HD2 TYR 17 HD2 TYR 17 7.566 1.201 7.872 121 HE1 TYR 17 HE1 TYR 17 6.603 -3.601 7.423 122 HE2 TYR 17 HE2 TYR 17 7.945 0.073 5.722 123 HH TYR 17 HH TYR 17 7.873 -3.341 5.399 124 H ASN 18 H ASN 18 5.639 -1.117 12.701 125 HA ASN 18 HA ASN 18 4.927 -3.698 11.781 126 HB2 ASN 18 HB2 ASN 18 5.028 -2.896 14.675 127 HB3 ASN 18 HB3 ASN 18 5.418 -4.457 13.959 128 HD21 ASN 18 HD21 ASN 18 6.538 -1.272 14.673 129 HD22 ASN 18 HD22 ASN 18 8.190 -1.524 14.234 130 H GLU 19 H GLU 19 3.312 -1.568 14.150 131 HA GLU 19 HA GLU 19 1.108 -3.125 14.674 132 HB2 GLU 19 HB2 GLU 19 1.737 -0.264 14.828 133 HB3 GLU 19 HB3 GLU 19 0.019 -0.607 14.677 134 HG2 GLU 19 HG2 GLU 19 1.574 -2.156 16.671 135 HG3 GLU 19 HG3 GLU 19 1.224 -0.464 17.020 136 H ILE 20 H ILE 20 1.661 -1.050 11.894 137 HA ILE 20 HA ILE 20 -0.999 -1.245 10.874 138 HB ILE 20 HB ILE 20 1.578 -0.388 9.559 139 HG12 ILE 20 HG12 ILE 20 0.613 1.016 11.414 140 HG13 ILE 20 HG13 ILE 20 0.767 1.846 9.869 141 HG21 ILE 20 HG21 ILE 20 -1.221 -0.472 8.467 142 HG22 ILE 20 HG22 ILE 20 0.255 -1.126 7.758 143 HG23 ILE 20 HG23 ILE 20 0.009 0.619 7.829 144 HD11 ILE 20 HD11 ILE 20 -1.723 0.804 11.177 145 HD12 ILE 20 HD12 ILE 20 -1.667 1.299 9.485 146 HD13 ILE 20 HD13 ILE 20 -1.318 2.468 10.759 147 H VAL 21 H VAL 21 1.888 -2.289 9.100 148 HA VAL 21 HA VAL 21 0.742 -4.066 7.398 149 HB VAL 21 HB VAL 21 3.421 -4.501 8.724 150 HG11 VAL 21 HG11 VAL 21 2.563 -5.264 5.943 151 HG12 VAL 21 HG12 VAL 21 2.472 -6.365 7.318 152 HG13 VAL 21 HG13 VAL 21 4.034 -5.733 6.796 153 HG21 VAL 21 HG21 VAL 21 3.518 -2.302 7.947 154 HG22 VAL 21 HG22 VAL 21 2.547 -2.662 6.519 155 HG23 VAL 21 HG23 VAL 21 4.209 -3.243 6.626 156 H LEU 22 H LEU 22 1.458 -4.580 10.774 157 HA LEU 22 HA LEU 22 1.157 -7.394 10.830 158 HB2 LEU 22 HB2 LEU 22 1.033 -5.226 12.891 159 HB3 LEU 22 HB3 LEU 22 0.591 -6.860 13.317 160 HG LEU 22 HG LEU 22 3.269 -6.059 12.184 161 HD11 LEU 22 HD11 LEU 22 2.620 -6.850 15.013 162 HD12 LEU 22 HD12 LEU 22 2.764 -5.176 14.477 163 HD13 LEU 22 HD13 LEU 22 4.155 -6.257 14.379 164 HD21 LEU 22 HD21 LEU 22 3.672 -8.432 13.352 165 HD22 LEU 22 HD22 LEU 22 3.224 -8.259 11.655 166 HD23 LEU 22 HD23 LEU 22 1.991 -8.637 12.859 167 H ASP 23 H ASP 23 -1.111 -4.712 11.270 168 HA ASP 23 HA ASP 23 -3.324 -5.944 12.274 169 HB2 ASP 23 HB2 ASP 23 -2.858 -3.502 11.227 170 HB3 ASP 23 HB3 ASP 23 -3.861 -4.185 9.950 171 H ASP 24 H ASP 24 -3.635 -8.053 11.686 172 HA ASP 24 HA ASP 24 -3.892 -8.809 8.907 173 HB2 ASP 24 HB2 ASP 24 -4.409 -11.073 9.890 174 HB3 ASP 24 HB3 ASP 24 -2.838 -10.411 10.331 175 H THR 25 H THR 25 -5.956 -7.508 11.233 176 HA THR 25 HA THR 25 -8.354 -8.890 10.600 177 HB THR 25 HB THR 25 -9.420 -6.804 11.651 178 HG1 THR 25 HG1 THR 25 -7.981 -5.450 12.725 179 HG21 THR 25 HG21 THR 25 -9.293 -7.811 13.623 180 HG22 THR 25 HG22 THR 25 -7.538 -7.645 13.690 181 HG23 THR 25 HG23 THR 25 -8.264 -9.000 12.825 182 H LYS 26 H LYS 26 -6.540 -6.687 8.808 183 HA LYS 26 HA LYS 26 -8.740 -6.369 6.928 184 HB2 LYS 26 HB2 LYS 26 -7.165 -4.007 7.969 185 HB3 LYS 26 HB3 LYS 26 -8.358 -3.956 6.678 186 HG2 LYS 26 HG2 LYS 26 -10.006 -4.857 8.410 187 HG3 LYS 26 HG3 LYS 26 -8.788 -4.412 9.607 188 HD2 LYS 26 HD2 LYS 26 -9.785 -2.462 7.549 189 HD3 LYS 26 HD3 LYS 26 -10.611 -2.697 9.091 190 HE2 LYS 26 HE2 LYS 26 -7.706 -2.295 9.281 191 HE3 LYS 26 HE3 LYS 26 -8.611 -0.911 8.667 192 HZ1 LYS 26 HZ1 LYS 26 -8.252 -1.367 11.245 193 HZ2 LYS 26 HZ2 LYS 26 -9.691 -2.228 11.028 194 HZ3 LYS 26 HZ3 LYS 26 -9.625 -0.583 10.641 195 H ASP 27 H ASP 27 -7.951 -5.370 4.846 196 HA ASP 27 HA ASP 27 -5.508 -6.697 4.071 197 HB2 ASP 27 HB2 ASP 27 -7.764 -5.361 2.668 198 HB3 ASP 27 HB3 ASP 27 -6.216 -5.407 1.829 199 H VAL 28 H VAL 28 -3.558 -5.788 3.774 200 HA VAL 28 HA VAL 28 -3.381 -2.857 4.015 201 HB VAL 28 HB VAL 28 -1.349 -4.928 4.859 202 HG11 VAL 28 HG11 VAL 28 -1.221 -1.984 4.553 203 HG12 VAL 28 HG12 VAL 28 0.046 -3.199 4.380 204 HG13 VAL 28 HG13 VAL 28 -0.465 -2.680 5.987 205 HG21 VAL 28 HG21 VAL 28 -3.209 -3.150 6.420 206 HG22 VAL 28 HG22 VAL 28 -1.836 -3.995 7.136 207 HG23 VAL 28 HG23 VAL 28 -3.155 -4.913 6.410 208 H LEU 29 H LEU 29 -2.128 -1.723 2.620 209 HA LEU 29 HA LEU 29 -0.635 -3.191 0.567 210 HB2 LEU 29 HB2 LEU 29 -3.107 -2.172 0.038 211 HB3 LEU 29 HB3 LEU 29 -2.085 -0.817 -0.401 212 HG LEU 29 HG LEU 29 -2.059 -3.590 -1.579 213 HD11 LEU 29 HD11 LEU 29 -3.768 -2.026 -2.407 214 HD12 LEU 29 HD12 LEU 29 -2.579 -2.440 -3.642 215 HD13 LEU 29 HD13 LEU 29 -2.494 -0.880 -2.824 216 HD21 LEU 29 HD21 LEU 29 0.061 -1.562 -1.460 217 HD22 LEU 29 HD22 LEU 29 -0.294 -2.173 -3.076 218 HD23 LEU 29 HD23 LEU 29 0.158 -3.292 -1.790 219 H ILE 30 H ILE 30 1.355 -2.540 1.269 220 HA ILE 30 HA ILE 30 1.812 0.338 1.623 221 HB ILE 30 HB ILE 30 2.536 -1.057 3.485 222 HG12 ILE 30 HG12 ILE 30 4.869 0.048 1.902 223 HG13 ILE 30 HG13 ILE 30 3.817 0.979 2.962 224 HG21 ILE 30 HG21 ILE 30 4.416 -2.645 3.179 225 HG22 ILE 30 HG22 ILE 30 4.264 -2.433 1.435 226 HG23 ILE 30 HG23 ILE 30 2.936 -3.140 2.357 227 HD11 ILE 30 HD11 ILE 30 4.614 -0.823 4.723 228 HD12 ILE 30 HD12 ILE 30 5.555 0.626 4.370 229 HD13 ILE 30 HD13 ILE 30 5.993 -0.913 3.626 230 H GLU 31 H GLU 31 3.351 1.449 0.467 231 HA GLU 31 HA GLU 31 4.697 -0.008 -1.708 232 HB2 GLU 31 HB2 GLU 31 2.745 1.136 -2.641 233 HB3 GLU 31 HB3 GLU 31 3.283 2.656 -1.941 234 HG2 GLU 31 HG2 GLU 31 5.244 1.335 -3.675 235 HG3 GLU 31 HG3 GLU 31 3.769 1.864 -4.481 236 H PHE 32 H PHE 32 6.824 0.273 -1.639 237 HA PHE 32 HA PHE 32 7.908 2.477 -0.063 238 HB2 PHE 32 HB2 PHE 32 9.524 0.265 -1.308 239 HB3 PHE 32 HB3 PHE 32 9.924 1.262 0.084 240 HD1 PHE 32 HD1 PHE 32 7.643 -1.414 -1.087 241 HD2 PHE 32 HD2 PHE 32 9.370 0.587 2.248 242 HE1 PHE 32 HE1 PHE 32 6.731 -3.136 0.413 243 HE2 PHE 32 HE2 PHE 32 8.463 -1.132 3.754 244 HZ PHE 32 HZ PHE 32 7.139 -2.997 2.838 245 H TYR 33 H TYR 33 9.257 4.038 -0.856 246 HA TYR 33 HA TYR 33 10.150 3.958 -3.608 247 HB2 TYR 33 HB2 TYR 33 9.038 5.979 -4.311 248 HB3 TYR 33 HB3 TYR 33 7.819 4.848 -3.732 249 HD1 TYR 33 HD1 TYR 33 6.833 5.194 -1.437 250 HD2 TYR 33 HD2 TYR 33 9.290 8.110 -3.322 251 HE1 TYR 33 HE1 TYR 33 5.976 6.905 0.106 252 HE2 TYR 33 HE2 TYR 33 8.441 9.829 -1.784 253 HH TYR 33 HH TYR 33 6.065 10.003 -0.348 254 H ALA 34 H ALA 34 11.423 5.975 -4.144 255 HA ALA 34 HA ALA 34 12.859 6.866 -1.734 256 HB1 ALA 34 HB1 ALA 34 13.944 5.499 -3.748 257 HB2 ALA 34 HB2 ALA 34 14.839 6.714 -2.835 258 HB3 ALA 34 HB3 ALA 34 14.131 7.129 -4.396 259 HA PRO 35 HA PRO 35 11.338 10.958 -2.577 260 HB2 PRO 35 HB2 PRO 35 13.237 12.358 -1.182 261 HB3 PRO 35 HB3 PRO 35 11.854 11.555 -0.432 262 HG2 PRO 35 HG2 PRO 35 14.683 10.616 -0.682 263 HG3 PRO 35 HG3 PRO 35 13.582 10.500 0.704 264 HD2 PRO 35 HD2 PRO 35 14.060 8.401 -0.910 265 HD3 PRO 35 HD3 PRO 35 12.467 8.673 -0.174 266 H TRP 36 H TRP 36 14.440 9.786 -3.470 267 HA TRP 36 HA TRP 36 14.974 12.169 -5.098 268 HB2 TRP 36 HB2 TRP 36 17.226 10.878 -5.455 269 HB3 TRP 36 HB3 TRP 36 16.941 11.748 -3.953 270 HD1 TRP 36 HD1 TRP 36 16.290 10.213 -1.776 271 HE1 TRP 36 HE1 TRP 36 16.957 7.794 -1.199 272 HE3 TRP 36 HE3 TRP 36 17.737 8.642 -6.421 273 HZ2 TRP 36 HZ2 TRP 36 17.967 5.524 -2.537 274 HZ3 TRP 36 HZ3 TRP 36 18.543 6.332 -6.687 275 HH2 TRP 36 HH2 TRP 36 18.655 4.807 -4.784 276 H CYS 37 H CYS 37 13.922 8.915 -5.289 277 HA CYS 37 HA CYS 37 14.661 8.552 -8.061 278 HB2 CYS 37 HB2 CYS 37 14.487 6.695 -6.313 279 HB3 CYS 37 HB3 CYS 37 12.740 6.847 -6.477 280 HG CYS 37 HG CYS 37 12.997 5.235 -8.299 281 H GLY 38 H GLY 38 13.556 9.434 -9.676 282 HA2 GLY 38 HA2 GLY 38 11.151 10.825 -9.414 283 HA3 GLY 38 HA3 GLY 38 11.823 10.258 -10.934 284 H HIS 39 H HIS 39 11.685 7.434 -9.762 285 HA HIS 39 HA HIS 39 9.374 6.584 -11.025 286 HB2 HIS 39 HB2 HIS 39 11.490 5.348 -9.789 287 HB3 HIS 39 HB3 HIS 39 10.148 4.918 -8.734 288 HD1 HIS 39 HD1 HIS 39 11.621 4.213 -12.049 289 HD2 HIS 39 HD2 HIS 39 8.114 3.356 -9.991 290 HE1 HIS 39 HE1 HIS 39 10.518 2.359 -13.342 291 HE2 HIS 39 HE2 HIS 39 8.356 1.917 -12.126 292 H CYS 40 H CYS 40 9.804 7.813 -7.796 293 HA CYS 40 HA CYS 40 7.357 6.865 -6.714 294 HB2 CYS 40 HB2 CYS 40 7.766 8.386 -4.887 295 HB3 CYS 40 HB3 CYS 40 9.294 7.647 -5.351 296 HG CYS 40 HG CYS 40 10.170 9.913 -5.553 297 H LYS 41 H LYS 41 8.279 9.716 -8.528 298 HA LYS 41 HA LYS 41 5.934 11.226 -8.082 299 HB2 LYS 41 HB2 LYS 41 7.855 11.274 -10.416 300 HB3 LYS 41 HB3 LYS 41 6.630 12.494 -10.094 301 HG2 LYS 41 HG2 LYS 41 8.477 11.931 -7.873 302 HG3 LYS 41 HG3 LYS 41 9.194 12.681 -9.301 303 HD2 LYS 41 HD2 LYS 41 7.016 14.214 -9.065 304 HD3 LYS 41 HD3 LYS 41 7.218 13.756 -7.373 305 HE2 LYS 41 HE2 LYS 41 9.285 14.788 -7.206 306 HE3 LYS 41 HE3 LYS 41 9.560 14.742 -8.947 307 HZ1 LYS 41 HZ1 LYS 41 8.994 16.899 -8.782 308 HZ2 LYS 41 HZ2 LYS 41 8.117 16.692 -7.350 309 HZ3 LYS 41 HZ3 LYS 41 7.412 16.299 -8.836 310 H ALA 42 H ALA 42 6.715 8.633 -10.276 311 HA ALA 42 HA ALA 42 4.427 9.036 -11.971 312 HB1 ALA 42 HB1 ALA 42 5.091 6.937 -13.021 313 HB2 ALA 42 HB2 ALA 42 6.268 6.659 -11.738 314 HB3 ALA 42 HB3 ALA 42 6.471 8.020 -12.842 315 H LEU 43 H LEU 43 5.152 7.212 -9.091 316 HA LEU 43 HA LEU 43 2.594 5.793 -9.278 317 HB2 LEU 43 HB2 LEU 43 5.173 5.147 -8.218 318 HB3 LEU 43 HB3 LEU 43 3.993 5.064 -6.924 319 HG LEU 43 HG LEU 43 4.402 2.899 -8.105 320 HD11 LEU 43 HD11 LEU 43 1.951 2.395 -8.423 321 HD12 LEU 43 HD12 LEU 43 1.646 4.099 -8.085 322 HD13 LEU 43 HD13 LEU 43 2.402 3.078 -6.861 323 HD21 LEU 43 HD21 LEU 43 3.586 2.536 -10.307 324 HD22 LEU 43 HD22 LEU 43 4.626 3.959 -10.371 325 HD23 LEU 43 HD23 LEU 43 2.872 4.147 -10.378 326 H ALA 44 H ALA 44 3.682 8.663 -8.096 327 HA ALA 44 HA ALA 44 2.551 8.717 -5.496 328 HB1 ALA 44 HB1 ALA 44 2.656 11.279 -6.908 329 HB2 ALA 44 HB2 ALA 44 4.174 10.381 -6.917 330 HB3 ALA 44 HB3 ALA 44 3.399 10.787 -5.385 331 HA PRO 45 HA PRO 45 -1.231 10.794 -7.645 332 HB2 PRO 45 HB2 PRO 45 -1.105 10.188 -10.474 333 HB3 PRO 45 HB3 PRO 45 -1.155 11.763 -9.683 334 HG2 PRO 45 HG2 PRO 45 1.025 10.779 -11.016 335 HG3 PRO 45 HG3 PRO 45 1.112 11.993 -9.729 336 HD2 PRO 45 HD2 PRO 45 1.679 9.065 -9.627 337 HD3 PRO 45 HD3 PRO 45 2.481 10.403 -8.779 338 H LYS 46 H LYS 46 -0.251 8.035 -9.682 339 HA LYS 46 HA LYS 46 -2.777 6.868 -9.904 340 HB2 LYS 46 HB2 LYS 46 -0.186 5.328 -9.851 341 HB3 LYS 46 HB3 LYS 46 -1.667 4.914 -10.703 342 HG2 LYS 46 HG2 LYS 46 -0.699 7.501 -11.525 343 HG3 LYS 46 HG3 LYS 46 0.545 6.265 -11.717 344 HD2 LYS 46 HD2 LYS 46 -0.488 5.909 -13.692 345 HD3 LYS 46 HD3 LYS 46 -1.599 4.956 -12.707 346 HE2 LYS 46 HE2 LYS 46 -3.260 6.510 -12.832 347 HE3 LYS 46 HE3 LYS 46 -2.135 7.862 -12.945 348 HZ1 LYS 46 HZ1 LYS 46 -2.481 5.932 -15.160 349 HZ2 LYS 46 HZ2 LYS 46 -1.803 7.481 -15.213 350 HZ3 LYS 46 HZ3 LYS 46 -3.471 7.296 -15.003 351 H TYR 47 H TYR 47 -0.131 5.895 -7.707 352 HA TYR 47 HA TYR 47 -1.582 3.978 -6.295 353 HB2 TYR 47 HB2 TYR 47 0.945 4.484 -6.246 354 HB3 TYR 47 HB3 TYR 47 0.547 5.666 -5.003 355 HD1 TYR 47 HD2 TYR 47 0.195 2.057 -5.842 356 HD2 TYR 47 HD1 TYR 47 0.346 5.001 -2.775 357 HE1 TYR 47 HE2 TYR 47 0.239 0.278 -4.144 358 HE2 TYR 47 HE1 TYR 47 0.391 3.231 -1.069 359 HH TYR 47 HH TYR 47 1.136 0.125 -1.660 360 H GLU 48 H GLU 48 -1.356 7.458 -5.839 361 HA GLU 48 HA GLU 48 -2.631 7.551 -3.315 362 HB2 GLU 48 HB2 GLU 48 -1.304 9.418 -4.128 363 HB3 GLU 48 HB3 GLU 48 -2.405 9.650 -5.478 364 HG2 GLU 48 HG2 GLU 48 -4.171 10.317 -3.987 365 HG3 GLU 48 HG3 GLU 48 -3.168 9.954 -2.584 366 H GLU 49 H GLU 49 -3.830 7.429 -6.598 367 HA GLU 49 HA GLU 49 -6.489 8.238 -6.016 368 HB2 GLU 49 HB2 GLU 49 -5.417 8.240 -8.290 369 HB3 GLU 49 HB3 GLU 49 -5.571 6.489 -8.300 370 HG2 GLU 49 HG2 GLU 49 -7.579 6.739 -9.187 371 HG3 GLU 49 HG3 GLU 49 -8.112 7.437 -7.659 372 H LEU 50 H LEU 50 -5.262 4.995 -6.881 373 HA LEU 50 HA LEU 50 -7.558 3.585 -6.174 374 HB2 LEU 50 HB2 LEU 50 -5.744 2.627 -7.507 375 HB3 LEU 50 HB3 LEU 50 -4.683 2.664 -6.112 376 HG LEU 50 HG LEU 50 -5.728 0.419 -6.753 377 HD11 LEU 50 HD11 LEU 50 -6.451 0.878 -3.947 378 HD12 LEU 50 HD12 LEU 50 -4.827 1.399 -4.396 379 HD13 LEU 50 HD13 LEU 50 -5.322 -0.273 -4.660 380 HD21 LEU 50 HD21 LEU 50 -8.006 1.255 -7.117 381 HD22 LEU 50 HD22 LEU 50 -8.121 1.665 -5.405 382 HD23 LEU 50 HD23 LEU 50 -7.958 -0.020 -5.898 383 H GLY 51 H GLY 51 -4.925 4.767 -4.214 384 HA2 GLY 51 HA2 GLY 51 -5.258 3.224 -1.915 385 HA3 GLY 51 HA3 GLY 51 -4.656 4.874 -1.941 386 H ALA 52 H ALA 52 -6.502 6.532 -2.365 387 HA ALA 52 HA ALA 52 -8.259 6.393 -0.157 388 HB1 ALA 52 HB1 ALA 52 -9.327 8.418 -1.382 389 HB2 ALA 52 HB2 ALA 52 -7.942 8.267 -2.464 390 HB3 ALA 52 HB3 ALA 52 -7.689 8.555 -0.742 391 H LEU 53 H LEU 53 -8.526 5.344 -3.437 392 HA LEU 53 HA LEU 53 -11.224 5.428 -3.953 393 HB2 LEU 53 HB2 LEU 53 -9.019 3.591 -4.728 394 HB3 LEU 53 HB3 LEU 53 -10.655 3.076 -5.080 395 HG LEU 53 HG LEU 53 -9.165 5.441 -6.184 396 HD11 LEU 53 HD11 LEU 53 -9.371 2.913 -7.096 397 HD12 LEU 53 HD12 LEU 53 -9.159 4.324 -8.132 398 HD13 LEU 53 HD13 LEU 53 -10.769 3.652 -7.876 399 HD21 LEU 53 HD21 LEU 53 -11.538 5.639 -7.409 400 HD22 LEU 53 HD22 LEU 53 -11.104 6.573 -5.977 401 HD23 LEU 53 HD23 LEU 53 -12.071 5.107 -5.814 402 H TYR 54 H TYR 54 -9.611 2.471 -2.762 403 HA TYR 54 HA TYR 54 -12.145 1.497 -1.738 404 HB2 TYR 54 HB2 TYR 54 -9.374 0.287 -1.712 405 HB3 TYR 54 HB3 TYR 54 -10.814 -0.519 -1.103 406 HD1 TYR 54 HD2 TYR 54 -12.671 0.531 -3.352 407 HD2 TYR 54 HD1 TYR 54 -8.847 -1.334 -3.383 408 HE1 TYR 54 HE2 TYR 54 -13.125 -0.350 -5.601 409 HE2 TYR 54 HE1 TYR 54 -9.291 -2.220 -5.631 410 HH TYR 54 HH TYR 54 -11.517 -1.108 -7.641 411 H ALA 55 H ALA 55 -9.219 2.903 -0.482 412 HA ALA 55 HA ALA 55 -9.225 2.148 2.142 413 HB1 ALA 55 HB1 ALA 55 -8.610 4.848 0.968 414 HB2 ALA 55 HB2 ALA 55 -7.481 3.539 1.316 415 HB3 ALA 55 HB3 ALA 55 -8.265 4.403 2.638 416 H LYS 56 H LYS 56 -11.481 4.324 0.563 417 HA LYS 56 HA LYS 56 -12.914 4.531 3.126 418 HB2 LYS 56 HB2 LYS 56 -11.664 6.642 2.011 419 HB3 LYS 56 HB3 LYS 56 -13.236 6.777 1.237 420 HG2 LYS 56 HG2 LYS 56 -14.086 7.696 3.058 421 HG3 LYS 56 HG3 LYS 56 -13.629 6.285 4.015 422 HD2 LYS 56 HD2 LYS 56 -11.461 8.179 3.342 423 HD3 LYS 56 HD3 LYS 56 -12.682 8.756 4.478 424 HE2 LYS 56 HE2 LYS 56 -12.201 7.079 6.030 425 HE3 LYS 56 HE3 LYS 56 -11.382 6.078 4.832 426 HZ1 LYS 56 HZ1 LYS 56 -9.464 7.225 5.051 427 HZ2 LYS 56 HZ2 LYS 56 -10.083 7.557 6.589 428 HZ3 LYS 56 HZ3 LYS 56 -10.230 8.703 5.354 429 H SER 57 H SER 57 -13.166 4.142 -0.356 430 HA SER 57 HA SER 57 -16.019 4.443 -0.375 431 HB2 SER 57 HB2 SER 57 -14.377 4.866 -2.312 432 HB3 SER 57 HB3 SER 57 -14.461 3.124 -2.574 433 HG SER 57 HG SER 57 -16.410 5.082 -2.939 434 H GLU 58 H GLU 58 -13.963 1.570 -1.027 435 HA GLU 58 HA GLU 58 -16.324 -0.101 -0.629 436 HB2 GLU 58 HB2 GLU 58 -13.692 -0.469 -1.961 437 HB3 GLU 58 HB3 GLU 58 -14.518 -1.898 -1.355 438 HG2 GLU 58 HG2 GLU 58 -16.235 -0.102 -2.889 439 HG3 GLU 58 HG3 GLU 58 -14.889 -0.774 -3.809 440 H PHE 59 H PHE 59 -12.909 -0.288 0.393 441 HA PHE 59 HA PHE 59 -13.773 -1.877 2.698 442 HB2 PHE 59 HB2 PHE 59 -11.194 -1.614 1.205 443 HB3 PHE 59 HB3 PHE 59 -11.172 -2.170 2.876 444 HD1 PHE 59 HD2 PHE 59 -13.617 -2.848 0.156 445 HD2 PHE 59 HD1 PHE 59 -10.665 -4.424 2.785 446 HE1 PHE 59 HE2 PHE 59 -14.166 -5.125 -0.598 447 HE2 PHE 59 HE1 PHE 59 -11.208 -6.703 2.036 448 HZ PHE 59 HZ PHE 59 -12.961 -7.056 0.342 449 H LYS 60 H LYS 60 -14.296 0.864 2.772 450 HA LYS 60 HA LYS 60 -12.552 2.600 3.875 451 HB2 LYS 60 HB2 LYS 60 -14.487 3.515 5.179 452 HB3 LYS 60 HB3 LYS 60 -14.786 3.265 3.464 453 HG2 LYS 60 HG2 LYS 60 -16.021 1.258 3.911 454 HG3 LYS 60 HG3 LYS 60 -15.617 1.347 5.627 455 HD2 LYS 60 HD2 LYS 60 -17.363 2.671 6.011 456 HD3 LYS 60 HD3 LYS 60 -16.803 3.819 4.794 457 HE2 LYS 60 HE2 LYS 60 -19.004 3.106 4.187 458 HE3 LYS 60 HE3 LYS 60 -17.862 2.384 3.053 459 HZ1 LYS 60 HZ1 LYS 60 -19.558 1.113 5.038 460 HZ2 LYS 60 HZ2 LYS 60 -18.000 0.472 4.893 461 HZ3 LYS 60 HZ3 LYS 60 -19.017 0.534 3.543 462 H ASP 61 H ASP 61 -14.184 -0.019 5.604 463 HA ASP 61 HA ASP 61 -12.351 0.450 7.863 464 HB2 ASP 61 HB2 ASP 61 -15.251 -0.099 7.777 465 HB3 ASP 61 HB3 ASP 61 -14.351 -1.017 8.980 466 H ARG 62 H ARG 62 -11.912 -1.206 5.459 467 HA ARG 62 HA ARG 62 -11.328 -3.700 6.869 468 HB2 ARG 62 HB2 ARG 62 -13.104 -3.405 4.509 469 HB3 ARG 62 HB3 ARG 62 -12.027 -4.794 4.541 470 HG2 ARG 62 HG2 ARG 62 -12.984 -5.590 6.570 471 HG3 ARG 62 HG3 ARG 62 -13.908 -4.101 6.783 472 HD2 ARG 62 HD2 ARG 62 -15.558 -4.834 5.475 473 HD3 ARG 62 HD3 ARG 62 -14.433 -5.346 4.218 474 HE ARG 62 HE ARG 62 -14.742 -7.477 4.941 475 HH11 ARG 62 HH11 ARG 62 -15.387 -5.334 7.618 476 HH12 ARG 62 HH12 ARG 62 -15.838 -6.613 8.696 477 HH21 ARG 62 HH21 ARG 62 -15.335 -9.160 6.356 478 HH22 ARG 62 HH22 ARG 62 -15.808 -8.785 7.979 479 H VAL 63 H VAL 63 -10.052 -1.235 5.177 480 HA VAL 63 HA VAL 63 -7.771 -2.842 4.396 481 HB VAL 63 HB VAL 63 -9.348 -2.733 2.391 482 HG11 VAL 63 HG11 VAL 63 -9.287 -0.710 1.044 483 HG12 VAL 63 HG12 VAL 63 -8.325 0.103 2.279 484 HG13 VAL 63 HG13 VAL 63 -9.985 -0.374 2.627 485 HG21 VAL 63 HG21 VAL 63 -7.018 -3.391 2.207 486 HG22 VAL 63 HG22 VAL 63 -6.529 -1.700 2.113 487 HG23 VAL 63 HG23 VAL 63 -7.492 -2.412 0.819 488 H VAL 64 H VAL 64 -5.856 -1.647 4.035 489 HA VAL 64 HA VAL 64 -5.935 1.219 4.599 490 HB VAL 64 HB VAL 64 -4.119 -0.627 6.150 491 HG11 VAL 64 HG11 VAL 64 -3.001 1.336 6.266 492 HG12 VAL 64 HG12 VAL 64 -4.177 1.665 7.538 493 HG13 VAL 64 HG13 VAL 64 -4.435 2.300 5.913 494 HG21 VAL 64 HG21 VAL 64 -5.626 0.247 8.087 495 HG22 VAL 64 HG22 VAL 64 -6.161 -1.119 7.109 496 HG23 VAL 64 HG23 VAL 64 -6.811 0.492 6.804 497 H ILE 65 H ILE 65 -5.011 1.944 2.776 498 HA ILE 65 HA ILE 65 -2.587 0.605 1.787 499 HB ILE 65 HB ILE 65 -4.321 2.617 0.347 500 HG12 ILE 65 HG12 ILE 65 -4.231 -0.397 0.076 501 HG13 ILE 65 HG13 ILE 65 -5.540 0.525 0.810 502 HG21 ILE 65 HG21 ILE 65 -2.382 2.763 -0.821 503 HG22 ILE 65 HG22 ILE 65 -3.042 1.326 -1.603 504 HG23 ILE 65 HG23 ILE 65 -1.834 1.161 -0.329 505 HD11 ILE 65 HD11 ILE 65 -5.835 -0.283 -1.590 506 HD12 ILE 65 HD12 ILE 65 -4.700 0.995 -2.024 507 HD13 ILE 65 HD13 ILE 65 -6.225 1.400 -1.236 508 H ALA 66 H ALA 66 -0.806 1.497 2.653 509 HA ALA 66 HA ALA 66 -0.669 4.440 2.778 510 HB1 ALA 66 HB1 ALA 66 0.062 2.370 4.709 511 HB2 ALA 66 HB2 ALA 66 -0.325 4.072 4.958 512 HB3 ALA 66 HB3 ALA 66 1.301 3.601 4.466 513 H LYS 67 H LYS 67 1.583 5.304 2.648 514 HA LYS 67 HA LYS 67 3.314 3.709 0.894 515 HB2 LYS 67 HB2 LYS 67 1.748 5.806 -0.022 516 HB3 LYS 67 HB3 LYS 67 3.318 6.554 0.234 517 HG2 LYS 67 HG2 LYS 67 4.146 4.408 -1.073 518 HG3 LYS 67 HG3 LYS 67 2.500 4.470 -1.707 519 HD2 LYS 67 HD2 LYS 67 3.926 7.044 -1.660 520 HD3 LYS 67 HD3 LYS 67 4.596 5.833 -2.755 521 HE2 LYS 67 HE2 LYS 67 3.031 7.026 -4.039 522 HE3 LYS 67 HE3 LYS 67 2.225 5.517 -3.612 523 HZ1 LYS 67 HZ1 LYS 67 0.593 6.963 -3.064 524 HZ2 LYS 67 HZ2 LYS 67 1.652 8.241 -2.742 525 HZ3 LYS 67 HZ3 LYS 67 1.434 7.015 -1.597 526 H VAL 68 H VAL 68 5.344 3.663 1.612 527 HA VAL 68 HA VAL 68 6.286 5.890 3.294 528 HB VAL 68 HB VAL 68 5.785 3.926 4.692 529 HG11 VAL 68 HG11 VAL 68 7.157 1.898 4.486 530 HG12 VAL 68 HG12 VAL 68 7.869 2.544 3.008 531 HG13 VAL 68 HG13 VAL 68 6.147 2.165 3.065 532 HG21 VAL 68 HG21 VAL 68 7.747 5.542 5.076 533 HG22 VAL 68 HG22 VAL 68 8.767 4.195 4.571 534 HG23 VAL 68 HG23 VAL 68 7.723 4.029 5.982 535 H ASP 69 H ASP 69 8.634 6.138 3.366 536 HA ASP 69 HA ASP 69 9.820 5.523 0.767 537 HB2 ASP 69 HB2 ASP 69 11.149 7.257 2.816 538 HB3 ASP 69 HB3 ASP 69 11.221 7.352 1.062 539 H ALA 70 H ALA 70 11.885 4.556 0.581 540 HA ALA 70 HA ALA 70 12.461 2.699 2.734 541 HB1 ALA 70 HB1 ALA 70 13.184 1.339 1.129 542 HB2 ALA 70 HB2 ALA 70 14.262 2.569 0.467 543 HB3 ALA 70 HB3 ALA 70 12.567 2.527 -0.020 544 H THR 71 H THR 71 13.359 5.789 2.192 545 HA THR 71 HA THR 71 16.065 5.357 3.275 546 HB THR 71 HB THR 71 16.078 6.361 1.034 547 HG1 THR 71 HG1 THR 71 17.765 7.053 2.210 548 HG21 THR 71 HG21 THR 71 14.005 7.543 0.961 549 HG22 THR 71 HG22 THR 71 15.320 8.702 0.763 550 HG23 THR 71 HG23 THR 71 14.488 8.568 2.312 551 H ALA 72 H ALA 72 13.656 5.531 4.911 552 HA ALA 72 HA ALA 72 14.567 7.314 6.870 553 HB1 ALA 72 HB1 ALA 72 12.453 8.868 6.671 554 HB2 ALA 72 HB2 ALA 72 12.581 8.437 4.966 555 HB3 ALA 72 HB3 ALA 72 13.936 9.217 5.782 556 H ASN 73 H ASN 73 13.875 4.815 7.274 557 HA ASN 73 HA ASN 73 12.104 4.812 9.359 558 HB2 ASN 73 HB2 ASN 73 10.179 3.475 8.184 559 HB3 ASN 73 HB3 ASN 73 10.172 5.235 8.160 560 HD21 ASN 73 HD21 ASN 73 10.223 6.269 6.264 561 HD22 ASN 73 HD22 ASN 73 10.349 5.495 4.725 562 H ASP 74 H ASP 74 11.052 2.435 9.609 563 HA ASP 74 HA ASP 74 13.171 0.698 10.006 564 HB2 ASP 74 HB2 ASP 74 10.687 0.675 10.877 565 HB3 ASP 74 HB3 ASP 74 10.435 -0.409 9.511 566 H VAL 75 H VAL 75 10.587 0.177 7.603 567 HA VAL 75 HA VAL 75 10.553 -1.110 5.712 568 HB VAL 75 HB VAL 75 11.482 0.979 4.862 569 HG11 VAL 75 HG11 VAL 75 13.444 1.306 6.121 570 HG12 VAL 75 HG12 VAL 75 13.981 1.070 4.458 571 HG13 VAL 75 HG13 VAL 75 14.119 -0.245 5.625 572 HG21 VAL 75 HG21 VAL 75 13.083 -1.088 3.441 573 HG22 VAL 75 HG22 VAL 75 12.029 0.169 2.793 574 HG23 VAL 75 HG23 VAL 75 11.331 -1.280 3.516 575 HA PRO 76 HA PRO 76 13.844 -4.067 7.500 576 HB2 PRO 76 HB2 PRO 76 12.001 -5.998 8.181 577 HB3 PRO 76 HB3 PRO 76 12.640 -4.789 9.298 578 HG2 PRO 76 HG2 PRO 76 10.061 -4.797 7.784 579 HG3 PRO 76 HG3 PRO 76 10.378 -4.300 9.457 580 HD2 PRO 76 HD2 PRO 76 10.075 -2.499 7.492 581 HD3 PRO 76 HD3 PRO 76 11.231 -2.242 8.816 582 H ASP 77 H ASP 77 10.992 -4.410 5.470 583 HA ASP 77 HA ASP 77 11.577 -6.864 4.271 584 HB2 ASP 77 HB2 ASP 77 10.170 -4.456 3.098 585 HB3 ASP 77 HB3 ASP 77 10.149 -6.072 2.399 586 H GLU 78 H GLU 78 12.660 -7.442 2.388 587 HA GLU 78 HA GLU 78 14.915 -5.754 1.726 588 HB2 GLU 78 HB2 GLU 78 15.057 -8.257 2.053 589 HB3 GLU 78 HB3 GLU 78 14.198 -8.432 0.529 590 HG2 GLU 78 HG2 GLU 78 16.487 -6.668 0.300 591 HG3 GLU 78 HG3 GLU 78 16.930 -8.276 0.873 592 H ILE 79 H ILE 79 15.381 -4.890 -0.296 593 HA ILE 79 HA ILE 79 13.347 -5.116 -2.388 594 HB ILE 79 HB ILE 79 14.373 -2.417 -1.536 595 HG12 ILE 79 HG12 ILE 79 12.990 -3.419 0.273 596 HG13 ILE 79 HG13 ILE 79 12.254 -1.991 -0.452 597 HG21 ILE 79 HG21 ILE 79 13.683 -2.186 -3.703 598 HG22 ILE 79 HG22 ILE 79 12.184 -1.834 -2.844 599 HG23 ILE 79 HG23 ILE 79 12.440 -3.427 -3.558 600 HD11 ILE 79 HD11 ILE 79 10.488 -3.135 -1.203 601 HD12 ILE 79 HD12 ILE 79 10.966 -4.318 0.014 602 HD13 ILE 79 HD13 ILE 79 11.455 -4.534 -1.667 603 H GLN 80 H GLN 80 14.090 -4.756 -4.465 604 HA GLN 80 HA GLN 80 16.934 -4.981 -4.872 605 HB2 GLN 80 HB2 GLN 80 14.623 -4.666 -6.807 606 HB3 GLN 80 HB3 GLN 80 16.293 -4.923 -7.300 607 HG2 GLN 80 HG2 GLN 80 15.737 -7.082 -7.328 608 HG3 GLN 80 HG3 GLN 80 15.913 -6.990 -5.576 609 HE21 GLN 80 HE22 GLN 80 14.390 -8.923 -6.131 610 HE22 GLN 80 HE32 GLN 80 12.703 -8.567 -6.011 611 H GLY 81 H GLY 81 14.395 -2.643 -5.507 612 HA2 GLY 81 HA2 GLY 81 16.399 -0.479 -5.557 613 HA3 GLY 81 HA3 GLY 81 15.075 -0.520 -6.725 614 H PHE 82 H PHE 82 12.932 -0.250 -5.996 615 HA PHE 82 HA PHE 82 12.230 0.096 -3.311 616 HB2 PHE 82 HB2 PHE 82 11.904 2.669 -4.755 617 HB3 PHE 82 HB3 PHE 82 11.804 2.288 -3.024 618 HD1 PHE 82 HD1 PHE 82 14.078 2.998 -5.816 619 HD2 PHE 82 HD2 PHE 82 13.775 2.247 -1.639 620 HE1 PHE 82 HE1 PHE 82 16.397 3.764 -5.514 621 HE2 PHE 82 HE2 PHE 82 16.093 3.014 -1.328 622 HZ PHE 82 HZ PHE 82 17.407 3.772 -3.268 623 HA PRO 83 HA PRO 83 8.582 1.686 -6.073 624 HB2 PRO 83 HB2 PRO 83 9.087 0.499 -8.529 625 HB3 PRO 83 HB3 PRO 83 9.002 2.213 -8.145 626 HG2 PRO 83 HG2 PRO 83 11.386 0.468 -8.446 627 HG3 PRO 83 HG3 PRO 83 11.193 2.188 -8.846 628 HD2 PRO 83 HD2 PRO 83 12.508 1.455 -6.660 629 HD3 PRO 83 HD3 PRO 83 11.402 2.848 -6.619 630 H THR 84 H THR 84 8.469 0.082 -4.465 631 HA THR 84 HA THR 84 7.886 -2.620 -5.435 632 HB THR 84 HB THR 84 8.193 -3.043 -2.854 633 HG1 THR 84 HG1 THR 84 10.103 -1.127 -2.852 634 HG21 THR 84 HG21 THR 84 10.712 -2.415 -4.292 635 HG22 THR 84 HG22 THR 84 9.686 -3.749 -4.825 636 HG23 THR 84 HG23 THR 84 10.354 -3.748 -3.193 637 H ILE 85 H ILE 85 6.082 -3.694 -4.720 638 HA ILE 85 HA ILE 85 4.096 -2.156 -3.204 639 HB ILE 85 HB ILE 85 3.238 -3.776 -5.581 640 HG12 ILE 85 HG12 ILE 85 4.881 -2.022 -6.324 641 HG13 ILE 85 HG13 ILE 85 3.262 -1.821 -6.987 642 HG21 ILE 85 HG21 ILE 85 2.012 -1.679 -3.834 643 HG22 ILE 85 HG22 ILE 85 1.426 -3.300 -4.206 644 HG23 ILE 85 HG23 ILE 85 1.355 -2.034 -5.432 645 HD11 ILE 85 HD11 ILE 85 3.398 -0.360 -4.567 646 HD12 ILE 85 HD12 ILE 85 3.212 0.243 -6.214 647 HD13 ILE 85 HD13 ILE 85 4.823 0.030 -5.529 648 H LYS 86 H LYS 86 3.878 -3.344 -1.423 649 HA LYS 86 HA LYS 86 3.742 -6.269 -1.684 650 HB2 LYS 86 HB2 LYS 86 5.345 -4.790 -0.050 651 HB3 LYS 86 HB3 LYS 86 3.985 -5.116 1.016 652 HG2 LYS 86 HG2 LYS 86 5.253 -6.937 1.477 653 HG3 LYS 86 HG3 LYS 86 4.340 -7.578 0.110 654 HD2 LYS 86 HD2 LYS 86 6.470 -8.144 -0.520 655 HD3 LYS 86 HD3 LYS 86 6.334 -6.553 -1.272 656 HE2 LYS 86 HE2 LYS 86 7.616 -5.531 0.412 657 HE3 LYS 86 HE3 LYS 86 7.447 -6.912 1.494 658 HZ1 LYS 86 HZ1 LYS 86 9.620 -6.495 0.079 659 HZ2 LYS 86 HZ2 LYS 86 8.754 -7.378 -1.074 660 HZ3 LYS 86 HZ3 LYS 86 9.076 -8.056 0.442 661 H LEU 87 H LEU 87 2.044 -7.414 -0.852 662 HA LEU 87 HA LEU 87 -0.197 -5.839 0.229 663 HB2 LEU 87 HB2 LEU 87 -0.695 -6.460 -2.054 664 HB3 LEU 87 HB3 LEU 87 -0.286 -8.132 -1.728 665 HG LEU 87 HG LEU 87 -2.763 -7.502 -1.873 666 HD11 LEU 87 HD11 LEU 87 -3.200 -9.403 -0.777 667 HD12 LEU 87 HD12 LEU 87 -2.432 -8.841 0.708 668 HD13 LEU 87 HD13 LEU 87 -1.449 -9.507 -0.596 669 HD21 LEU 87 HD21 LEU 87 -3.815 -6.449 -0.101 670 HD22 LEU 87 HD22 LEU 87 -2.332 -5.510 -0.275 671 HD23 LEU 87 HD23 LEU 87 -2.464 -6.724 0.998 672 H TYR 88 H TYR 88 -0.544 -6.382 2.265 673 HA TYR 88 HA TYR 88 0.235 -9.006 3.247 674 HB2 TYR 88 HB2 TYR 88 0.053 -6.390 4.365 675 HB3 TYR 88 HB3 TYR 88 -1.017 -7.447 5.280 676 HD1 TYR 88 HD1 TYR 88 2.479 -7.147 4.046 677 HD2 TYR 88 HD2 TYR 88 -0.147 -8.890 6.904 678 HE1 TYR 88 HE1 TYR 88 4.416 -8.021 5.283 679 HE2 TYR 88 HE2 TYR 88 1.783 -9.768 8.150 680 HH TYR 88 HH TYR 88 4.925 -8.729 7.646 681 HA PRO 89 HA PRO 89 -4.076 -10.227 2.519 682 HB2 PRO 89 HB2 PRO 89 -3.676 -12.866 3.082 683 HB3 PRO 89 HB3 PRO 89 -3.320 -12.141 1.511 684 HG2 PRO 89 HG2 PRO 89 -1.463 -12.768 3.773 685 HG3 PRO 89 HG3 PRO 89 -1.231 -13.017 2.032 686 HD2 PRO 89 HD2 PRO 89 -0.127 -10.936 3.343 687 HD3 PRO 89 HD3 PRO 89 -0.680 -10.804 1.661 688 H ALA 90 H ALA 90 -5.614 -9.974 3.996 689 HA ALA 90 HA ALA 90 -5.120 -9.930 6.769 690 HB1 ALA 90 HB1 ALA 90 -7.509 -9.699 5.034 691 HB2 ALA 90 HB2 ALA 90 -6.913 -8.621 6.297 692 HB3 ALA 90 HB3 ALA 90 -7.779 -10.095 6.731 693 H GLY 91 H GLY 91 -4.756 -11.609 8.049 694 HA2 GLY 91 HA2 GLY 91 -5.663 -13.544 9.173 695 HA3 GLY 91 HA3 GLY 91 -6.351 -14.054 7.638 696 H ALA 92 H ALA 92 -3.814 -13.365 6.228 697 HA ALA 92 HA ALA 92 -2.323 -15.776 7.014 698 HB1 ALA 92 HB1 ALA 92 -1.385 -15.438 4.596 699 HB2 ALA 92 HB2 ALA 92 -2.846 -14.473 4.382 700 HB3 ALA 92 HB3 ALA 92 -2.970 -16.171 4.843 701 H LYS 93 H LYS 93 -1.181 -14.551 8.651 702 HA LYS 93 HA LYS 93 0.481 -12.343 7.926 703 HB2 LYS 93 HB2 LYS 93 -0.041 -13.938 10.357 704 HB3 LYS 93 HB3 LYS 93 1.560 -13.220 10.255 705 HG2 LYS 93 HG2 LYS 93 0.743 -11.062 10.303 706 HG3 LYS 93 HG3 LYS 93 -0.859 -11.547 9.744 707 HD2 LYS 93 HD2 LYS 93 -1.290 -11.164 11.965 708 HD3 LYS 93 HD3 LYS 93 -0.887 -12.882 12.009 709 HE2 LYS 93 HE2 LYS 93 1.402 -12.336 12.656 710 HE3 LYS 93 HE3 LYS 93 1.019 -10.616 12.586 711 HZ1 LYS 93 HZ1 LYS 93 0.684 -10.952 14.780 712 HZ2 LYS 93 HZ2 LYS 93 0.318 -12.594 14.606 713 HZ3 LYS 93 HZ3 LYS 93 -0.855 -11.426 14.260 714 H GLY 94 H GLY 94 1.287 -13.730 6.008 715 HA2 GLY 94 HA2 GLY 94 3.981 -14.123 6.166 716 HA3 GLY 94 HA3 GLY 94 3.309 -15.686 6.606 717 H GLN 95 H GLN 95 2.075 -13.358 4.241 718 HA GLN 95 HA GLN 95 3.000 -14.952 2.016 719 HB2 GLN 95 HB2 GLN 95 0.076 -14.790 2.744 720 HB3 GLN 95 HB3 GLN 95 0.632 -15.201 1.127 721 HG2 GLN 95 HG2 GLN 95 1.208 -16.726 3.656 722 HG3 GLN 95 HG3 GLN 95 0.096 -17.199 2.372 723 HE21 GLN 95 HE22 GLN 95 1.512 -16.698 0.127 724 HE22 GLN 95 HE32 GLN 95 2.922 -17.694 0.068 725 HA PRO 96 HA PRO 96 2.149 -10.332 1.372 726 HB2 PRO 96 HB2 PRO 96 4.724 -9.512 1.148 727 HB3 PRO 96 HB3 PRO 96 3.871 -9.572 2.695 728 HG2 PRO 96 HG2 PRO 96 5.804 -11.534 1.520 729 HG3 PRO 96 HG3 PRO 96 5.698 -10.926 3.183 730 HD2 PRO 96 HD2 PRO 96 4.717 -13.341 2.447 731 HD3 PRO 96 HD3 PRO 96 3.982 -12.362 3.732 732 H VAL 97 H VAL 97 1.847 -9.650 -0.668 733 HA VAL 97 HA VAL 97 2.800 -11.261 -2.844 734 HB VAL 97 HB VAL 97 0.554 -9.762 -2.480 735 HG11 VAL 97 HG11 VAL 97 2.201 -8.212 -4.470 736 HG12 VAL 97 HG12 VAL 97 1.825 -7.665 -2.836 737 HG13 VAL 97 HG13 VAL 97 0.527 -7.909 -4.005 738 HG21 VAL 97 HG21 VAL 97 1.825 -11.180 -4.698 739 HG22 VAL 97 HG22 VAL 97 0.601 -10.011 -5.190 740 HG23 VAL 97 HG23 VAL 97 0.185 -11.298 -4.061 741 H THR 98 H THR 98 4.377 -10.813 -4.300 742 HA THR 98 HA THR 98 5.970 -8.392 -3.796 743 HB THR 98 HB THR 98 7.175 -10.525 -5.432 744 HG1 THR 98 HG1 THR 98 6.745 -10.970 -2.667 745 HG21 THR 98 HG21 THR 98 8.741 -10.061 -3.201 746 HG22 THR 98 HG22 THR 98 8.019 -8.494 -3.567 747 HG23 THR 98 HG23 THR 98 8.940 -9.351 -4.803 748 H TYR 99 H TYR 99 5.324 -6.852 -5.169 749 HA TYR 99 HA TYR 99 4.447 -7.463 -7.846 750 HB2 TYR 99 HB2 TYR 99 4.199 -5.288 -6.029 751 HB3 TYR 99 HB3 TYR 99 4.920 -4.670 -7.511 752 HD1 TYR 99 HD1 TYR 99 3.723 -5.661 -9.716 753 HD2 TYR 99 HD2 TYR 99 1.898 -5.219 -5.898 754 HE1 TYR 99 HE1 TYR 99 1.512 -5.619 -10.786 755 HE2 TYR 99 HE2 TYR 99 -0.321 -5.173 -6.960 756 HH TYR 99 HH TYR 99 -0.769 -4.749 -10.268 757 H SER 100 H SER 100 5.788 -7.802 -9.479 758 HA SER 100 HA SER 100 8.569 -7.227 -9.345 759 HB2 SER 100 HB2 SER 100 8.724 -8.218 -11.504 760 HB3 SER 100 HB3 SER 100 7.461 -9.108 -10.654 761 HG SER 100 HG SER 100 6.590 -8.641 -12.597 762 H GLY 101 H GLY 101 5.804 -5.506 -10.545 763 HA2 GLY 101 HA2 GLY 101 6.915 -3.022 -10.657 764 HA3 GLY 101 HA3 GLY 101 7.299 -3.713 -12.227 765 H SER 102 H SER 102 4.919 -2.208 -10.303 766 HA SER 102 HA SER 102 2.560 -2.980 -11.585 767 HB2 SER 102 HB2 SER 102 1.533 -1.152 -10.525 768 HB3 SER 102 HB3 SER 102 2.886 -1.539 -9.463 769 HG SER 102 HG SER 102 4.000 0.193 -10.251 770 H ARG 103 H ARG 103 1.809 -2.648 -13.567 771 HA ARG 103 HA ARG 103 3.242 -0.830 -15.337 772 HB2 ARG 103 HB2 ARG 103 2.363 -3.323 -15.779 773 HB3 ARG 103 HB3 ARG 103 0.945 -2.437 -16.322 774 HG2 ARG 103 HG2 ARG 103 3.639 -1.649 -17.327 775 HG3 ARG 103 HG3 ARG 103 2.830 -3.065 -18.002 776 HD2 ARG 103 HD2 ARG 103 0.877 -1.682 -18.538 777 HD3 ARG 103 HD3 ARG 103 1.703 -0.270 -17.880 778 HE ARG 103 HE ARG 103 3.373 -1.325 -19.815 779 HH11 ARG 103 HH11 ARG 103 0.160 0.030 -19.672 780 HH12 ARG 103 HH12 ARG 103 0.213 0.646 -21.289 781 HH21 ARG 103 HH21 ARG 103 3.444 -0.517 -21.943 782 HH22 ARG 103 HH22 ARG 103 2.077 0.335 -22.579 783 H THR 104 H THR 104 0.118 -1.213 -13.818 784 HA THR 104 HA THR 104 -0.543 1.527 -14.357 785 HB THR 104 HB THR 104 -1.302 0.658 -16.455 786 HG1 THR 104 HG1 THR 104 -2.764 2.086 -15.553 787 HG21 THR 104 HG21 THR 104 -3.106 -1.096 -16.510 788 HG22 THR 104 HG22 THR 104 -2.656 -1.482 -14.849 789 HG23 THR 104 HG23 THR 104 -1.477 -1.666 -16.148 790 H VAL 105 H VAL 105 -2.936 1.909 -13.568 791 HA VAL 105 HA VAL 105 -3.005 1.062 -10.849 792 HB VAL 105 HB VAL 105 -5.199 2.461 -12.381 793 HG11 VAL 105 HG11 VAL 105 -6.232 2.836 -10.413 794 HG12 VAL 105 HG12 VAL 105 -4.717 3.018 -9.529 795 HG13 VAL 105 HG13 VAL 105 -5.332 1.408 -9.901 796 HG21 VAL 105 HG21 VAL 105 -4.044 4.372 -12.370 797 HG22 VAL 105 HG22 VAL 105 -2.620 3.388 -12.032 798 HG23 VAL 105 HG23 VAL 105 -3.511 4.134 -10.706 799 H GLU 106 H GLU 106 -4.974 0.323 -13.705 800 HA GLU 106 HA GLU 106 -6.941 -1.227 -12.524 801 HB2 GLU 106 HB2 GLU 106 -7.180 -2.315 -14.732 802 HB3 GLU 106 HB3 GLU 106 -7.069 -0.564 -14.849 803 HG2 GLU 106 HG2 GLU 106 -4.948 -0.628 -15.767 804 HG3 GLU 106 HG3 GLU 106 -4.625 -2.252 -15.160 805 H ASP 107 H ASP 107 -3.614 -2.005 -13.180 806 HA ASP 107 HA ASP 107 -3.939 -4.842 -12.841 807 HB2 ASP 107 HB2 ASP 107 -1.635 -2.986 -13.245 808 HB3 ASP 107 HB3 ASP 107 -1.314 -4.586 -12.582 809 H LEU 108 H LEU 108 -2.800 -2.148 -10.854 810 HA LEU 108 HA LEU 108 -1.957 -3.686 -8.647 811 HB2 LEU 108 HB2 LEU 108 -2.786 -0.819 -8.972 812 HB3 LEU 108 HB3 LEU 108 -2.375 -1.469 -7.396 813 HG LEU 108 HG LEU 108 -0.438 -1.792 -9.649 814 HD11 LEU 108 HD11 LEU 108 -1.336 0.649 -9.362 815 HD12 LEU 108 HD12 LEU 108 0.394 0.342 -9.522 816 HD13 LEU 108 HD13 LEU 108 -0.306 0.639 -7.931 817 HD21 LEU 108 HD21 LEU 108 -0.400 -2.655 -7.106 818 HD22 LEU 108 HD22 LEU 108 0.362 -1.078 -6.900 819 HD23 LEU 108 HD23 LEU 108 1.055 -2.253 -8.018 820 H ILE 109 H ILE 109 -5.081 -2.470 -9.627 821 HA ILE 109 HA ILE 109 -6.394 -2.883 -7.132 822 HB ILE 109 HB ILE 109 -7.691 -2.827 -9.855 823 HG12 ILE 109 HG12 ILE 109 -7.559 -0.379 -8.178 824 HG13 ILE 109 HG13 ILE 109 -6.081 -0.848 -9.011 825 HG21 ILE 109 HG21 ILE 109 -9.051 -1.624 -7.562 826 HG22 ILE 109 HG22 ILE 109 -8.790 -3.362 -7.415 827 HG23 ILE 109 HG23 ILE 109 -9.664 -2.717 -8.803 828 HD11 ILE 109 HD11 ILE 109 -6.853 0.182 -10.806 829 HD12 ILE 109 HD12 ILE 109 -8.416 0.453 -10.035 830 HD13 ILE 109 HD13 ILE 109 -8.115 -1.045 -10.915 831 H LYS 110 H LYS 110 -6.568 -4.681 -10.211 832 HA LYS 110 HA LYS 110 -8.084 -6.822 -9.280 833 HB2 LYS 110 HB2 LYS 110 -6.279 -6.352 -11.585 834 HB3 LYS 110 HB3 LYS 110 -6.632 -8.030 -11.196 835 HG2 LYS 110 HG2 LYS 110 -8.844 -6.038 -11.476 836 HG3 LYS 110 HG3 LYS 110 -8.121 -6.796 -12.897 837 HD2 LYS 110 HD2 LYS 110 -8.925 -8.572 -10.661 838 HD3 LYS 110 HD3 LYS 110 -10.213 -7.845 -11.623 839 HE2 LYS 110 HE2 LYS 110 -9.894 -9.639 -12.945 840 HE3 LYS 110 HE3 LYS 110 -8.555 -8.685 -13.581 841 HZ1 LYS 110 HZ1 LYS 110 -7.399 -10.530 -13.074 842 HZ2 LYS 110 HZ2 LYS 110 -8.509 -11.062 -11.914 843 HZ3 LYS 110 HZ3 LYS 110 -7.376 -9.872 -11.516 844 H PHE 111 H PHE 111 -4.730 -6.096 -8.825 845 HA PHE 111 HA PHE 111 -3.853 -8.726 -8.186 846 HB2 PHE 111 HB2 PHE 111 -2.609 -6.316 -8.629 847 HB3 PHE 111 HB3 PHE 111 -2.407 -6.523 -6.893 848 HD1 PHE 111 HD1 PHE 111 -2.187 -8.671 -9.944 849 HD2 PHE 111 HD2 PHE 111 -0.432 -7.471 -6.257 850 HE1 PHE 111 HE1 PHE 111 -0.298 -10.196 -10.350 851 HE2 PHE 111 HE2 PHE 111 1.459 -8.993 -6.656 852 HZ PHE 111 HZ PHE 111 1.528 -10.357 -8.706 853 H ILE 112 H ILE 112 -4.533 -5.900 -6.120 854 HA ILE 112 HA ILE 112 -4.199 -7.040 -3.646 855 HB ILE 112 HB ILE 112 -6.359 -5.054 -4.361 856 HG12 ILE 112 HG12 ILE 112 -3.844 -4.106 -3.158 857 HG13 ILE 112 HG13 ILE 112 -3.677 -4.737 -4.793 858 HG21 ILE 112 HG21 ILE 112 -6.560 -6.113 -2.124 859 HG22 ILE 112 HG22 ILE 112 -6.278 -4.374 -2.059 860 HG23 ILE 112 HG23 ILE 112 -4.956 -5.494 -1.730 861 HD11 ILE 112 HD11 ILE 112 -5.736 -3.185 -5.258 862 HD12 ILE 112 HD12 ILE 112 -4.097 -2.538 -5.219 863 HD13 ILE 112 HD13 ILE 112 -5.152 -2.351 -3.818 864 H ALA 113 H ALA 113 -7.019 -7.251 -5.758 865 HA ALA 113 HA ALA 113 -8.569 -8.694 -3.798 866 HB1 ALA 113 HB1 ALA 113 -9.067 -7.400 -6.327 867 HB2 ALA 113 HB2 ALA 113 -10.187 -7.794 -5.023 868 HB3 ALA 113 HB3 ALA 113 -9.821 -8.993 -6.264 869 H GLU 114 H GLU 114 -6.286 -9.494 -6.234 870 HA GLU 114 HA GLU 114 -7.245 -12.223 -6.525 871 HB2 GLU 114 HB2 GLU 114 -5.193 -10.530 -7.849 872 HB3 GLU 114 HB3 GLU 114 -4.908 -12.265 -7.833 873 HG2 GLU 114 HG2 GLU 114 -7.515 -12.131 -8.618 874 HG3 GLU 114 HG3 GLU 114 -6.831 -10.687 -9.361 875 H ASN 115 H ASN 115 -4.776 -10.438 -4.829 876 HA ASN 115 HA ASN 115 -3.595 -12.937 -3.839 877 HB2 ASN 115 HB2 ASN 115 -1.822 -11.354 -2.917 878 HB3 ASN 115 HB3 ASN 115 -1.907 -11.494 -4.671 879 HD21 ASN 115 HD21 ASN 115 -1.280 -9.563 -5.373 880 HD22 ASN 115 HD22 ASN 115 -1.981 -8.055 -4.913 881 H GLY 116 H GLY 116 -5.161 -9.960 -2.799 882 HA2 GLY 116 HA2 GLY 116 -4.831 -10.267 -0.026 883 HA3 GLY 116 HA3 GLY 116 -6.112 -9.350 -0.803 884 H LYS 117 H LYS 117 -5.619 -11.692 1.356 885 HA LYS 117 HA LYS 117 -7.334 -13.784 0.641 886 HB2 LYS 117 HB2 LYS 117 -5.715 -13.616 2.631 887 HB3 LYS 117 HB3 LYS 117 -7.022 -12.787 3.465 888 HG2 LYS 117 HG2 LYS 117 -8.378 -14.684 3.477 889 HG3 LYS 117 HG3 LYS 117 -7.437 -15.476 2.212 890 HD2 LYS 117 HD2 LYS 117 -5.529 -15.622 3.790 891 HD3 LYS 117 HD3 LYS 117 -6.563 -14.944 5.050 892 HE2 LYS 117 HE2 LYS 117 -7.940 -16.834 5.098 893 HE3 LYS 117 HE3 LYS 117 -7.363 -17.404 3.532 894 HZ1 LYS 117 HZ1 LYS 117 -5.555 -18.360 4.445 895 HZ2 LYS 117 HZ2 LYS 117 -6.515 -18.392 5.838 896 HZ3 LYS 117 HZ3 LYS 117 -5.365 -17.169 5.632 897 H TYR 118 H TYR 118 -7.977 -10.597 1.900 898 HA TYR 118 HA TYR 118 -10.775 -11.186 2.404 899 HB2 TYR 118 HB2 TYR 118 -8.905 -9.024 3.058 900 HB3 TYR 118 HB3 TYR 118 -10.513 -8.455 2.619 901 HD1 TYR 118 HD2 TYR 118 -9.615 -11.594 4.399 902 HD2 TYR 118 HD1 TYR 118 -11.374 -7.730 4.675 903 HE1 TYR 118 HE2 TYR 118 -10.412 -12.125 6.663 904 HE2 TYR 118 HE1 TYR 118 -12.175 -8.250 6.941 905 HH TYR 118 HH TYR 118 -11.041 -10.719 8.772 906 H LYS 119 H LYS 119 -8.936 -10.410 -0.276 907 HA LYS 119 HA LYS 119 -9.438 -9.765 -2.394 908 HB2 LYS 119 HB2 LYS 119 -12.092 -10.582 -1.311 909 HB3 LYS 119 HB3 LYS 119 -12.061 -9.707 -2.835 910 HG2 LYS 119 HG2 LYS 119 -11.192 -11.444 -3.970 911 HG3 LYS 119 HG3 LYS 119 -10.174 -11.955 -2.622 912 HD2 LYS 119 HD2 LYS 119 -12.661 -12.478 -1.649 913 HD3 LYS 119 HD3 LYS 119 -12.887 -12.797 -3.370 914 HE2 LYS 119 HE2 LYS 119 -10.598 -14.095 -3.041 915 HE3 LYS 119 HE3 LYS 119 -11.177 -14.191 -1.379 916 HZ1 LYS 119 HZ1 LYS 119 -13.293 -15.098 -2.324 917 HZ2 LYS 119 HZ2 LYS 119 -11.946 -16.108 -2.495 918 HZ3 LYS 119 HZ3 LYS 119 -12.509 -15.219 -3.819 919 H ALA 120 H ALA 120 -8.730 -7.711 -0.904 920 HA ALA 120 HA ALA 120 -10.604 -5.633 -0.583 921 HB1 ALA 120 HB1 ALA 120 -7.672 -5.893 -0.483 922 HB2 ALA 120 HB2 ALA 120 -8.784 -5.109 0.639 923 HB3 ALA 120 HB3 ALA 120 -8.287 -4.277 -0.834 924 H ALA 121 H ALA 121 -11.765 -5.751 -2.611 925 HA ALA 121 HA ALA 121 -11.139 -3.696 -4.378 926 HB1 ALA 121 HB1 ALA 121 -9.972 -4.556 -6.090 927 HB2 ALA 121 HB2 ALA 121 -10.838 -6.092 -6.038 928 HB3 ALA 121 HB3 ALA 121 -9.496 -5.798 -4.932 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -11.679 23.416 7.488 2 H2 GLY 1 2H GLY 1 -13.196 23.647 6.776 3 H3 GLY 1 3H GLY 1 -11.857 23.276 5.811 4 HA2 GLY 1 HA3 GLY 1 -13.550 21.531 7.394 5 HA3 GLY 1 HA2 GLY 1 -12.686 21.200 5.900 6 HA PRO 2 HA PRO 2 -10.727 19.063 9.702 7 HB2 PRO 2 HB2 PRO 2 -10.746 16.904 7.647 8 HB3 PRO 2 HB3 PRO 2 -11.056 16.807 9.384 9 HG2 PRO 2 HG2 PRO 2 -13.064 16.687 7.642 10 HG3 PRO 2 HG3 PRO 2 -13.237 17.567 9.173 11 HD2 PRO 2 HD2 PRO 2 -12.838 18.625 6.411 12 HD3 PRO 2 HD3 PRO 2 -13.794 19.292 7.750 13 H LEU 3 H LEU 3 -8.543 18.273 9.809 14 HA LEU 3 HA LEU 3 -6.819 19.561 7.894 15 HB2 LEU 3 HB2 LEU 3 -6.580 19.207 10.520 16 HB3 LEU 3 HB3 LEU 3 -5.741 17.758 10.001 17 HG LEU 3 HG LEU 3 -4.978 20.466 8.944 18 HD11 LEU 3 HD11 LEU 3 -4.933 20.010 11.586 19 HD12 LEU 3 HD12 LEU 3 -3.722 20.979 10.747 20 HD13 LEU 3 HD13 LEU 3 -3.387 19.291 11.133 21 HD21 LEU 3 HD21 LEU 3 -2.765 19.255 8.749 22 HD22 LEU 3 HD22 LEU 3 -4.049 18.708 7.671 23 HD23 LEU 3 HD23 LEU 3 -3.649 17.774 9.113 24 H GLY 4 H GLY 4 -7.492 18.236 6.052 25 HA2 GLY 4 HA2 GLY 4 -5.624 16.101 5.611 26 HA3 GLY 4 HA3 GLY 4 -7.279 15.527 5.744 27 H SER 5 H SER 5 -5.941 18.465 4.255 28 HA SER 5 HA SER 5 -7.608 18.168 1.954 29 HB2 SER 5 HB2 SER 5 -5.489 20.101 2.813 30 HB3 SER 5 HB3 SER 5 -5.997 20.082 1.125 31 HG SER 5 HG SER 5 -7.224 21.193 3.208 32 H GLU 6 H GLU 6 -4.094 17.939 2.480 33 HA GLU 6 HA GLU 6 -3.874 16.544 -0.101 34 HB2 GLU 6 HB2 GLU 6 -1.405 17.077 0.145 35 HB3 GLU 6 HB3 GLU 6 -2.469 18.448 -0.131 36 HG2 GLU 6 HG2 GLU 6 -2.047 17.853 2.691 37 HG3 GLU 6 HG3 GLU 6 -0.569 18.266 1.823 38 H GLY 7 H GLY 7 -4.855 15.104 2.062 39 HA2 GLY 7 HA2 GLY 7 -2.659 13.185 2.439 40 HA3 GLY 7 HA3 GLY 7 -3.577 13.720 3.839 41 HA PRO 8 HA PRO 8 -6.889 11.317 1.360 42 HB2 PRO 8 HB2 PRO 8 -6.303 10.428 -1.134 43 HB3 PRO 8 HB3 PRO 8 -6.966 12.037 -0.823 44 HG2 PRO 8 HG2 PRO 8 -4.129 11.221 -1.323 45 HG3 PRO 8 HG3 PRO 8 -5.025 12.609 -1.970 46 HD2 PRO 8 HD2 PRO 8 -3.291 12.827 0.101 47 HD3 PRO 8 HD3 PRO 8 -4.733 13.851 -0.051 48 H VAL 9 H VAL 9 -3.553 10.335 0.911 49 HA VAL 9 HA VAL 9 -4.276 7.510 1.149 50 HB VAL 9 HB VAL 9 -1.523 8.672 0.729 51 HG11 VAL 9 HG11 VAL 9 -1.147 6.506 1.373 52 HG12 VAL 9 HG12 VAL 9 -1.351 6.285 -0.365 53 HG13 VAL 9 HG13 VAL 9 -2.686 5.931 0.732 54 HG21 VAL 9 HG21 VAL 9 -1.784 8.421 -1.604 55 HG22 VAL 9 HG22 VAL 9 -3.222 9.280 -1.051 56 HG23 VAL 9 HG23 VAL 9 -3.310 7.557 -1.418 57 H THR 10 H THR 10 -3.531 6.189 2.798 58 HA THR 10 HA THR 10 -3.255 7.390 5.349 59 HB THR 10 HB THR 10 -2.776 4.535 4.469 60 HG1 THR 10 HG1 THR 10 -5.037 5.875 5.516 61 HG21 THR 10 HG21 THR 10 -3.144 5.661 7.233 62 HG22 THR 10 HG22 THR 10 -1.726 4.824 6.601 63 HG23 THR 10 HG23 THR 10 -3.242 3.949 6.822 64 H VAL 11 H VAL 11 -1.482 7.595 6.692 65 HA VAL 11 HA VAL 11 1.114 7.471 5.332 66 HB VAL 11 HB VAL 11 1.934 8.962 7.106 67 HG11 VAL 11 HG11 VAL 11 -0.245 9.641 5.257 68 HG12 VAL 11 HG12 VAL 11 1.355 10.360 5.444 69 HG13 VAL 11 HG13 VAL 11 0.048 10.823 6.533 70 HG21 VAL 11 HG21 VAL 11 -0.342 9.982 8.300 71 HG22 VAL 11 HG22 VAL 11 0.853 8.929 9.058 72 HG23 VAL 11 HG23 VAL 11 -0.598 8.237 8.333 73 H VAL 12 H VAL 12 2.598 6.022 5.880 74 HA VAL 12 HA VAL 12 2.251 4.556 8.414 75 HB VAL 12 HB VAL 12 3.294 3.596 5.749 76 HG11 VAL 12 HG11 VAL 12 3.853 2.579 8.472 77 HG12 VAL 12 HG12 VAL 12 4.814 2.464 6.998 78 HG13 VAL 12 HG13 VAL 12 3.443 1.382 7.244 79 HG21 VAL 12 HG21 VAL 12 1.313 2.105 7.368 80 HG22 VAL 12 HG22 VAL 12 1.429 2.309 5.621 81 HG23 VAL 12 HG23 VAL 12 0.777 3.608 6.619 82 H VAL 13 H VAL 13 3.945 4.398 9.779 83 HA VAL 13 HA VAL 13 6.592 5.284 8.899 84 HB VAL 13 HB VAL 13 6.713 6.516 11.195 85 HG11 VAL 13 HG11 VAL 13 6.097 8.603 10.137 86 HG12 VAL 13 HG12 VAL 13 5.193 7.733 8.897 87 HG13 VAL 13 HG13 VAL 13 6.947 7.570 8.988 88 HG21 VAL 13 HG21 VAL 13 4.781 7.265 12.180 89 HG22 VAL 13 HG22 VAL 13 4.284 5.660 11.647 90 HG23 VAL 13 HG23 VAL 13 3.831 7.081 10.706 91 H ALA 14 H ALA 14 8.273 4.834 10.593 92 HA ALA 14 HA ALA 14 8.302 2.174 11.335 93 HB1 ALA 14 HB1 ALA 14 10.168 4.049 11.296 94 HB2 ALA 14 HB2 ALA 14 10.345 2.587 12.266 95 HB3 ALA 14 HB3 ALA 14 9.820 4.090 13.024 96 H LYS 15 H LYS 15 6.862 4.875 12.956 97 HA LYS 15 HA LYS 15 6.675 3.723 15.547 98 HB2 LYS 15 HB2 LYS 15 5.191 5.970 14.187 99 HB3 LYS 15 HB3 LYS 15 4.881 5.499 15.854 100 HG2 LYS 15 HG2 LYS 15 7.625 6.242 14.897 101 HG3 LYS 15 HG3 LYS 15 6.465 7.446 15.461 102 HD2 LYS 15 HD2 LYS 15 6.656 6.809 17.625 103 HD3 LYS 15 HD3 LYS 15 6.860 5.105 17.215 104 HE2 LYS 15 HE2 LYS 15 9.105 5.260 17.151 105 HE3 LYS 15 HE3 LYS 15 9.072 6.848 16.384 106 HZ1 LYS 15 HZ1 LYS 15 9.937 7.306 18.451 107 HZ2 LYS 15 HZ2 LYS 15 8.968 6.171 19.246 108 HZ3 LYS 15 HZ3 LYS 15 8.295 7.625 18.705 109 H ASN 16 H ASN 16 4.534 3.797 12.737 110 HA ASN 16 HA ASN 16 2.835 1.798 14.079 111 HB2 ASN 16 HB2 ASN 16 1.107 2.847 12.292 112 HB3 ASN 16 HB3 ASN 16 1.258 3.430 13.945 113 HD21 ASN 16 HD21 ASN 16 1.923 4.070 10.604 114 HD22 ASN 16 HD22 ASN 16 2.386 5.723 10.798 115 H TYR 17 H TYR 17 5.150 1.392 12.347 116 HA TYR 17 HA TYR 17 4.197 0.593 9.764 117 HB2 TYR 17 HB2 TYR 17 6.552 1.305 10.246 118 HB3 TYR 17 HB3 TYR 17 6.770 -0.198 11.139 119 HD1 TYR 17 HD1 TYR 17 6.204 -2.385 9.791 120 HD2 TYR 17 HD2 TYR 17 7.125 1.364 8.004 121 HE1 TYR 17 HE1 TYR 17 6.826 -3.537 7.710 122 HE2 TYR 17 HE2 TYR 17 7.748 0.223 5.917 123 HH TYR 17 HH TYR 17 8.159 -3.170 5.729 124 H ASN 18 H ASN 18 5.037 -1.063 12.766 125 HA ASN 18 HA ASN 18 4.588 -3.695 11.781 126 HB2 ASN 18 HB2 ASN 18 4.364 -2.899 14.666 127 HB3 ASN 18 HB3 ASN 18 4.941 -4.421 13.992 128 HD21 ASN 18 HD21 ASN 18 7.033 -4.556 13.198 129 HD22 ASN 18 HD22 ASN 18 8.235 -3.367 13.553 130 H GLU 19 H GLU 19 2.685 -1.631 13.975 131 HA GLU 19 HA GLU 19 0.510 -3.318 14.277 132 HB2 GLU 19 HB2 GLU 19 0.778 -0.329 14.365 133 HB3 GLU 19 HB3 GLU 19 -0.785 -1.098 14.599 134 HG2 GLU 19 HG2 GLU 19 -0.121 -2.129 16.576 135 HG3 GLU 19 HG3 GLU 19 1.593 -1.913 16.222 136 H ILE 20 H ILE 20 1.119 -0.915 11.757 137 HA ILE 20 HA ILE 20 -1.416 -1.300 10.481 138 HB ILE 20 HB ILE 20 1.096 0.025 9.460 139 HG12 ILE 20 HG12 ILE 20 0.025 1.045 11.474 140 HG13 ILE 20 HG13 ILE 20 0.023 2.102 10.065 141 HG21 ILE 20 HG21 ILE 20 0.059 -0.222 7.469 142 HG22 ILE 20 HG22 ILE 20 -0.889 1.153 8.034 143 HG23 ILE 20 HG23 ILE 20 -1.523 -0.484 8.203 144 HD11 ILE 20 HD11 ILE 20 -2.153 2.365 10.326 145 HD12 ILE 20 HD12 ILE 20 -2.168 1.195 11.645 146 HD13 ILE 20 HD13 ILE 20 -2.380 0.650 9.981 147 H VAL 21 H VAL 21 1.764 -1.768 8.960 148 HA VAL 21 HA VAL 21 0.992 -3.350 6.879 149 HB VAL 21 HB VAL 21 3.572 -3.670 8.413 150 HG11 VAL 21 HG11 VAL 21 4.312 -4.176 5.943 151 HG12 VAL 21 HG12 VAL 21 2.616 -4.627 5.760 152 HG13 VAL 21 HG13 VAL 21 3.620 -5.441 6.961 153 HG21 VAL 21 HG21 VAL 21 2.729 -1.728 6.278 154 HG22 VAL 21 HG22 VAL 21 4.421 -2.081 6.627 155 HG23 VAL 21 HG23 VAL 21 3.390 -1.381 7.875 156 H LEU 22 H LEU 22 2.018 -4.523 10.073 157 HA LEU 22 HA LEU 22 1.616 -7.259 9.412 158 HB2 LEU 22 HB2 LEU 22 2.647 -7.677 11.349 159 HB3 LEU 22 HB3 LEU 22 2.988 -5.963 11.347 160 HG LEU 22 HG LEU 22 0.763 -5.755 12.673 161 HD11 LEU 22 HD11 LEU 22 -0.263 -7.600 13.374 162 HD12 LEU 22 HD12 LEU 22 1.251 -8.310 13.935 163 HD13 LEU 22 HD13 LEU 22 0.757 -8.502 12.253 164 HD21 LEU 22 HD21 LEU 22 2.809 -7.074 14.341 165 HD22 LEU 22 HD22 LEU 22 2.031 -5.502 14.524 166 HD23 LEU 22 HD23 LEU 22 3.350 -5.704 13.371 167 H ASP 23 H ASP 23 -0.519 -4.770 10.564 168 HA ASP 23 HA ASP 23 -2.418 -6.098 12.007 169 HB2 ASP 23 HB2 ASP 23 -2.302 -3.656 10.685 170 HB3 ASP 23 HB3 ASP 23 -3.693 -4.456 9.966 171 H ASP 24 H ASP 24 -2.600 -8.256 11.410 172 HA ASP 24 HA ASP 24 -3.359 -9.061 8.774 173 HB2 ASP 24 HB2 ASP 24 -3.670 -11.301 9.829 174 HB3 ASP 24 HB3 ASP 24 -2.090 -10.589 10.137 175 H THR 25 H THR 25 -5.101 -7.707 11.322 176 HA THR 25 HA THR 25 -7.549 -9.122 11.048 177 HB THR 25 HB THR 25 -8.525 -7.202 12.285 178 HG1 THR 25 HG1 THR 25 -7.522 -5.375 12.335 179 HG21 THR 25 HG21 THR 25 -7.227 -7.386 14.328 180 HG22 THR 25 HG22 THR 25 -5.903 -8.130 13.431 181 HG23 THR 25 HG23 THR 25 -7.450 -8.965 13.574 182 H LYS 26 H LYS 26 -6.008 -6.797 9.087 183 HA LYS 26 HA LYS 26 -8.372 -6.649 7.393 184 HB2 LYS 26 HB2 LYS 26 -7.098 -4.312 8.751 185 HB3 LYS 26 HB3 LYS 26 -7.738 -4.099 7.127 186 HG2 LYS 26 HG2 LYS 26 -9.911 -4.394 7.793 187 HG3 LYS 26 HG3 LYS 26 -9.463 -5.365 9.196 188 HD2 LYS 26 HD2 LYS 26 -8.543 -3.337 10.265 189 HD3 LYS 26 HD3 LYS 26 -9.091 -2.387 8.882 190 HE2 LYS 26 HE2 LYS 26 -10.725 -2.149 10.596 191 HE3 LYS 26 HE3 LYS 26 -11.411 -3.201 9.359 192 HZ1 LYS 26 HZ1 LYS 26 -10.298 -4.998 10.971 193 HZ2 LYS 26 HZ2 LYS 26 -11.896 -4.468 11.136 194 HZ3 LYS 26 HZ3 LYS 26 -10.681 -3.800 12.104 195 H ASP 27 H ASP 27 -7.834 -5.585 5.262 196 HA ASP 27 HA ASP 27 -5.357 -6.703 4.286 197 HB2 ASP 27 HB2 ASP 27 -7.834 -6.350 3.170 198 HB3 ASP 27 HB3 ASP 27 -6.925 -5.030 2.441 199 H VAL 28 H VAL 28 -3.515 -5.630 3.844 200 HA VAL 28 HA VAL 28 -3.583 -2.690 4.031 201 HB VAL 28 HB VAL 28 -1.334 -4.525 4.871 202 HG11 VAL 28 HG11 VAL 28 -0.210 -2.621 4.272 203 HG12 VAL 28 HG12 VAL 28 -0.619 -2.234 5.943 204 HG13 VAL 28 HG13 VAL 28 -1.581 -1.568 4.622 205 HG21 VAL 28 HG21 VAL 28 -3.175 -2.836 6.559 206 HG22 VAL 28 HG22 VAL 28 -1.866 -3.866 7.139 207 HG23 VAL 28 HG23 VAL 28 -3.285 -4.586 6.378 208 H LEU 29 H LEU 29 -2.276 -1.502 2.668 209 HA LEU 29 HA LEU 29 -0.843 -2.941 0.551 210 HB2 LEU 29 HB2 LEU 29 -3.325 -1.849 0.122 211 HB3 LEU 29 HB3 LEU 29 -2.266 -0.541 -0.365 212 HG LEU 29 HG LEU 29 -2.556 -3.271 -1.570 213 HD11 LEU 29 HD11 LEU 29 -2.408 -0.527 -2.804 214 HD12 LEU 29 HD12 LEU 29 -3.906 -1.356 -2.381 215 HD13 LEU 29 HD13 LEU 29 -2.837 -2.037 -3.608 216 HD21 LEU 29 HD21 LEU 29 -0.513 -2.155 -2.989 217 HD22 LEU 29 HD22 LEU 29 -0.323 -3.398 -1.753 218 HD23 LEU 29 HD23 LEU 29 -0.094 -1.700 -1.338 219 H ILE 30 H ILE 30 1.162 -2.314 1.225 220 HA ILE 30 HA ILE 30 1.640 0.549 1.651 221 HB ILE 30 HB ILE 30 2.407 -0.829 3.470 222 HG12 ILE 30 HG12 ILE 30 4.893 -0.100 1.926 223 HG13 ILE 30 HG13 ILE 30 3.819 1.128 2.587 224 HG21 ILE 30 HG21 ILE 30 3.927 -2.352 1.363 225 HG22 ILE 30 HG22 ILE 30 2.634 -2.953 2.402 226 HG23 ILE 30 HG23 ILE 30 4.198 -2.526 3.097 227 HD11 ILE 30 HD11 ILE 30 4.597 0.849 4.654 228 HD12 ILE 30 HD12 ILE 30 5.946 0.023 3.875 229 HD13 ILE 30 HD13 ILE 30 4.597 -0.910 4.521 230 H GLU 31 H GLU 31 3.102 1.704 0.477 231 HA GLU 31 HA GLU 31 4.445 0.322 -1.750 232 HB2 GLU 31 HB2 GLU 31 2.499 1.479 -2.652 233 HB3 GLU 31 HB3 GLU 31 2.992 2.973 -1.868 234 HG2 GLU 31 HG2 GLU 31 4.990 1.782 -3.661 235 HG3 GLU 31 HG3 GLU 31 3.512 2.347 -4.440 236 H PHE 32 H PHE 32 6.567 0.489 -1.428 237 HA PHE 32 HA PHE 32 7.639 2.712 0.104 238 HB2 PHE 32 HB2 PHE 32 9.255 0.492 -1.129 239 HB3 PHE 32 HB3 PHE 32 9.660 1.495 0.255 240 HD1 PHE 32 HD1 PHE 32 7.404 -1.202 -0.903 241 HD2 PHE 32 HD2 PHE 32 9.068 0.859 2.428 242 HE1 PHE 32 HE1 PHE 32 6.493 -2.915 0.607 243 HE2 PHE 32 HE2 PHE 32 8.160 -0.853 3.944 244 HZ PHE 32 HZ PHE 32 6.870 -2.743 3.034 245 H TYR 33 H TYR 33 9.010 4.276 -0.658 246 HA TYR 33 HA TYR 33 9.990 4.205 -3.370 247 HB2 TYR 33 HB2 TYR 33 8.870 6.321 -4.031 248 HB3 TYR 33 HB3 TYR 33 7.740 4.992 -3.799 249 HD1 TYR 33 HD1 TYR 33 6.628 4.858 -1.434 250 HD2 TYR 33 HD2 TYR 33 8.449 8.360 -3.020 251 HE1 TYR 33 HE1 TYR 33 5.331 6.236 0.137 252 HE2 TYR 33 HE2 TYR 33 7.158 9.748 -1.454 253 HH TYR 33 HH TYR 33 4.551 8.971 -0.026 254 H ALA 34 H ALA 34 11.190 6.271 -3.893 255 HA ALA 34 HA ALA 34 12.457 7.300 -1.440 256 HB1 ALA 34 HB1 ALA 34 13.931 7.491 -3.991 257 HB2 ALA 34 HB2 ALA 34 13.700 5.868 -3.341 258 HB3 ALA 34 HB3 ALA 34 14.508 7.100 -2.371 259 HA PRO 35 HA PRO 35 11.026 11.319 -2.644 260 HB2 PRO 35 HB2 PRO 35 12.763 12.846 -1.215 261 HB3 PRO 35 HB3 PRO 35 11.407 11.983 -0.481 262 HG2 PRO 35 HG2 PRO 35 14.297 11.215 -0.604 263 HG3 PRO 35 HG3 PRO 35 13.163 11.092 0.753 264 HD2 PRO 35 HD2 PRO 35 13.824 8.969 -0.791 265 HD3 PRO 35 HD3 PRO 35 12.223 9.146 -0.046 266 H TRP 36 H TRP 36 14.083 10.070 -3.442 267 HA TRP 36 HA TRP 36 14.745 12.431 -5.060 268 HB2 TRP 36 HB2 TRP 36 16.982 11.073 -5.308 269 HB3 TRP 36 HB3 TRP 36 16.666 12.009 -3.852 270 HD1 TRP 36 HD1 TRP 36 15.855 10.562 -1.652 271 HE1 TRP 36 HE1 TRP 36 16.465 8.160 -0.953 272 HE3 TRP 36 HE3 TRP 36 17.537 8.811 -6.151 273 HZ2 TRP 36 HZ2 TRP 36 17.521 5.833 -2.152 274 HZ3 TRP 36 HZ3 TRP 36 18.331 6.487 -6.290 275 HH2 TRP 36 HH2 TRP 36 18.323 5.030 -4.331 276 H CYS 37 H CYS 37 13.651 9.186 -5.246 277 HA CYS 37 HA CYS 37 14.550 8.664 -7.917 278 HB2 CYS 37 HB2 CYS 37 14.093 6.835 -6.345 279 HB3 CYS 37 HB3 CYS 37 12.399 7.309 -6.277 280 HG CYS 37 HG CYS 37 13.742 6.024 -8.770 281 H GLY 38 H GLY 38 13.528 8.999 -9.823 282 HA2 GLY 38 HA2 GLY 38 11.286 10.825 -9.820 283 HA3 GLY 38 HA3 GLY 38 12.165 10.251 -11.229 284 H HIS 39 H HIS 39 11.863 7.520 -11.012 285 HA HIS 39 HA HIS 39 9.468 7.011 -12.245 286 HB2 HIS 39 HB2 HIS 39 11.389 5.435 -12.134 287 HB3 HIS 39 HB3 HIS 39 10.955 5.066 -10.468 288 HD1 HIS 39 HD1 HIS 39 8.865 5.203 -13.655 289 HD2 HIS 39 HD2 HIS 39 9.760 2.648 -10.502 290 HE1 HIS 39 HE1 HIS 39 7.465 3.149 -14.036 291 HE2 HIS 39 HE2 HIS 39 7.975 1.643 -12.081 292 H CYS 40 H CYS 40 10.124 7.226 -8.825 293 HA CYS 40 HA CYS 40 7.696 6.051 -7.934 294 HB2 CYS 40 HB2 CYS 40 9.541 7.990 -6.526 295 HB3 CYS 40 HB3 CYS 40 8.262 7.058 -5.756 296 HG CYS 40 HG CYS 40 10.921 6.069 -5.851 297 H LYS 41 H LYS 41 8.641 9.293 -8.873 298 HA LYS 41 HA LYS 41 6.444 10.677 -7.787 299 HB2 LYS 41 HB2 LYS 41 7.140 12.521 -9.035 300 HB3 LYS 41 HB3 LYS 41 8.626 11.613 -8.805 301 HG2 LYS 41 HG2 LYS 41 8.914 11.831 -11.000 302 HG3 LYS 41 HG3 LYS 41 7.658 10.604 -11.171 303 HD2 LYS 41 HD2 LYS 41 6.021 12.606 -11.029 304 HD3 LYS 41 HD3 LYS 41 7.440 13.582 -11.417 305 HE2 LYS 41 HE2 LYS 41 7.749 11.852 -13.345 306 HE3 LYS 41 HE3 LYS 41 6.039 11.524 -13.070 307 HZ1 LYS 41 HZ1 LYS 41 7.317 13.869 -14.212 308 HZ2 LYS 41 HZ2 LYS 41 6.014 14.177 -13.179 309 HZ3 LYS 41 HZ3 LYS 41 5.800 13.194 -14.538 310 H ALA 42 H ALA 42 6.829 8.748 -10.656 311 HA ALA 42 HA ALA 42 4.468 9.637 -11.987 312 HB1 ALA 42 HB1 ALA 42 6.378 8.530 -13.128 313 HB2 ALA 42 HB2 ALA 42 4.818 7.788 -13.484 314 HB3 ALA 42 HB3 ALA 42 5.920 7.018 -12.343 315 H LEU 43 H LEU 43 5.230 7.015 -9.758 316 HA LEU 43 HA LEU 43 2.574 5.889 -9.904 317 HB2 LEU 43 HB2 LEU 43 5.096 5.002 -9.051 318 HB3 LEU 43 HB3 LEU 43 4.104 5.033 -7.607 319 HG LEU 43 HG LEU 43 3.682 3.428 -10.116 320 HD11 LEU 43 HD11 LEU 43 3.714 2.565 -7.235 321 HD12 LEU 43 HD12 LEU 43 5.156 2.605 -8.251 322 HD13 LEU 43 HD13 LEU 43 3.806 1.553 -8.676 323 HD21 LEU 43 HD21 LEU 43 1.611 2.661 -8.629 324 HD22 LEU 43 HD22 LEU 43 1.490 3.948 -9.828 325 HD23 LEU 43 HD23 LEU 43 1.693 4.348 -8.123 326 H ALA 44 H ALA 44 3.673 8.646 -8.536 327 HA ALA 44 HA ALA 44 2.653 8.544 -5.909 328 HB1 ALA 44 HB1 ALA 44 3.524 10.585 -5.761 329 HB2 ALA 44 HB2 ALA 44 2.535 11.187 -7.091 330 HB3 ALA 44 HB3 ALA 44 4.065 10.376 -7.426 331 HA PRO 45 HA PRO 45 -1.325 10.655 -7.612 332 HB2 PRO 45 HB2 PRO 45 -1.693 10.777 -10.292 333 HB3 PRO 45 HB3 PRO 45 -0.835 12.029 -9.386 334 HG2 PRO 45 HG2 PRO 45 0.274 9.761 -10.996 335 HG3 PRO 45 HG3 PRO 45 0.797 11.455 -10.941 336 HD2 PRO 45 HD2 PRO 45 2.072 9.485 -9.586 337 HD3 PRO 45 HD3 PRO 45 1.987 11.155 -8.992 338 H LYS 46 H LYS 46 -0.033 7.890 -9.339 339 HA LYS 46 HA LYS 46 -2.585 6.758 -9.981 340 HB2 LYS 46 HB2 LYS 46 0.100 5.377 -9.857 341 HB3 LYS 46 HB3 LYS 46 -1.335 4.812 -10.702 342 HG2 LYS 46 HG2 LYS 46 -0.883 7.349 -11.733 343 HG3 LYS 46 HG3 LYS 46 0.725 6.641 -11.572 344 HD2 LYS 46 HD2 LYS 46 0.305 5.654 -13.536 345 HD3 LYS 46 HD3 LYS 46 -0.744 4.570 -12.621 346 HE2 LYS 46 HE2 LYS 46 -1.922 5.465 -14.547 347 HE3 LYS 46 HE3 LYS 46 -2.643 6.060 -13.052 348 HZ1 LYS 46 HZ1 LYS 46 -1.978 8.170 -13.461 349 HZ2 LYS 46 HZ2 LYS 46 -2.060 7.646 -15.067 350 HZ3 LYS 46 HZ3 LYS 46 -0.567 7.707 -14.274 351 H TYR 47 H TYR 47 -0.042 5.774 -7.673 352 HA TYR 47 HA TYR 47 -1.659 3.838 -6.391 353 HB2 TYR 47 HB2 TYR 47 0.870 3.954 -6.360 354 HB3 TYR 47 HB3 TYR 47 0.717 5.251 -5.178 355 HD1 TYR 47 HD1 TYR 47 0.007 1.670 -5.787 356 HD2 TYR 47 HD2 TYR 47 0.294 4.778 -2.899 357 HE1 TYR 47 HE1 TYR 47 -0.133 0.001 -3.986 358 HE2 TYR 47 HE2 TYR 47 0.155 3.120 -1.089 359 HH TYR 47 HH TYR 47 0.797 0.166 -1.249 360 H GLU 48 H GLU 48 -1.179 7.261 -5.913 361 HA GLU 48 HA GLU 48 -2.327 7.406 -3.315 362 HB2 GLU 48 HB2 GLU 48 -0.867 9.170 -4.173 363 HB3 GLU 48 HB3 GLU 48 -2.029 9.536 -5.441 364 HG2 GLU 48 HG2 GLU 48 -3.567 9.787 -3.216 365 HG3 GLU 48 HG3 GLU 48 -1.996 10.326 -2.624 366 H GLU 49 H GLU 49 -3.608 7.538 -6.578 367 HA GLU 49 HA GLU 49 -6.187 8.493 -5.895 368 HB2 GLU 49 HB2 GLU 49 -4.811 7.682 -8.259 369 HB3 GLU 49 HB3 GLU 49 -6.345 6.825 -8.200 370 HG2 GLU 49 HG2 GLU 49 -6.453 9.706 -7.597 371 HG3 GLU 49 HG3 GLU 49 -6.033 9.272 -9.254 372 H LEU 50 H LEU 50 -5.206 5.205 -6.885 373 HA LEU 50 HA LEU 50 -7.569 3.923 -6.159 374 HB2 LEU 50 HB2 LEU 50 -5.834 2.901 -7.560 375 HB3 LEU 50 HB3 LEU 50 -4.763 2.810 -6.176 376 HG LEU 50 HG LEU 50 -5.974 0.671 -6.889 377 HD11 LEU 50 HD11 LEU 50 -4.984 1.503 -4.506 378 HD12 LEU 50 HD12 LEU 50 -5.585 -0.123 -4.830 379 HD13 LEU 50 HD13 LEU 50 -6.633 1.067 -4.059 380 HD21 LEU 50 HD21 LEU 50 -8.257 1.818 -5.313 381 HD22 LEU 50 HD22 LEU 50 -8.211 0.343 -6.280 382 HD23 LEU 50 HD23 LEU 50 -8.196 1.918 -7.073 383 H GLY 51 H GLY 51 -4.825 4.882 -4.224 384 HA2 GLY 51 HA2 GLY 51 -5.192 3.292 -1.967 385 HA3 GLY 51 HA3 GLY 51 -4.512 4.912 -1.954 386 H ALA 52 H ALA 52 -6.285 6.666 -2.293 387 HA ALA 52 HA ALA 52 -8.010 6.539 -0.058 388 HB1 ALA 52 HB1 ALA 52 -6.988 8.560 -1.515 389 HB2 ALA 52 HB2 ALA 52 -8.358 8.739 -0.420 390 HB3 ALA 52 HB3 ALA 52 -8.633 8.521 -2.148 391 H LEU 53 H LEU 53 -8.376 5.614 -3.367 392 HA LEU 53 HA LEU 53 -11.068 5.844 -3.850 393 HB2 LEU 53 HB2 LEU 53 -8.977 3.899 -4.674 394 HB3 LEU 53 HB3 LEU 53 -10.642 3.473 -5.007 395 HG LEU 53 HG LEU 53 -9.069 5.797 -6.090 396 HD11 LEU 53 HD11 LEU 53 -9.902 3.195 -7.054 397 HD12 LEU 53 HD12 LEU 53 -8.733 4.332 -7.728 398 HD13 LEU 53 HD13 LEU 53 -10.446 4.500 -8.110 399 HD21 LEU 53 HD21 LEU 53 -11.098 6.841 -5.641 400 HD22 LEU 53 HD22 LEU 53 -12.034 5.390 -5.997 401 HD23 LEU 53 HD23 LEU 53 -11.272 6.292 -7.307 402 H TYR 54 H TYR 54 -9.612 2.784 -2.726 403 HA TYR 54 HA TYR 54 -12.180 1.939 -1.676 404 HB2 TYR 54 HB2 TYR 54 -9.484 0.575 -1.744 405 HB3 TYR 54 HB3 TYR 54 -10.943 -0.158 -1.090 406 HD1 TYR 54 HD1 TYR 54 -12.767 1.111 -3.312 407 HD2 TYR 54 HD2 TYR 54 -9.162 -1.149 -3.396 408 HE1 TYR 54 HE1 TYR 54 -13.347 0.280 -5.551 409 HE2 TYR 54 HE2 TYR 54 -9.734 -1.986 -5.634 410 HH TYR 54 HH TYR 54 -11.225 -1.094 -7.610 411 H ALA 55 H ALA 55 -9.129 3.095 -0.443 412 HA ALA 55 HA ALA 55 -9.159 2.294 2.165 413 HB1 ALA 55 HB1 ALA 55 -8.347 4.971 1.056 414 HB2 ALA 55 HB2 ALA 55 -7.324 3.557 1.306 415 HB3 ALA 55 HB3 ALA 55 -7.984 4.423 2.693 416 H LYS 56 H LYS 56 -11.259 4.687 0.684 417 HA LYS 56 HA LYS 56 -12.603 4.951 3.290 418 HB2 LYS 56 HB2 LYS 56 -11.272 6.993 1.924 419 HB3 LYS 56 HB3 LYS 56 -12.981 7.299 1.650 420 HG2 LYS 56 HG2 LYS 56 -13.412 7.680 3.869 421 HG3 LYS 56 HG3 LYS 56 -12.050 6.697 4.413 422 HD2 LYS 56 HD2 LYS 56 -10.508 8.431 3.549 423 HD3 LYS 56 HD3 LYS 56 -11.906 9.423 3.127 424 HE2 LYS 56 HE2 LYS 56 -12.555 9.590 5.432 425 HE3 LYS 56 HE3 LYS 56 -11.312 8.435 5.912 426 HZ1 LYS 56 HZ1 LYS 56 -10.384 10.791 4.485 427 HZ2 LYS 56 HZ2 LYS 56 -9.704 9.989 5.809 428 HZ3 LYS 56 HZ3 LYS 56 -10.988 11.064 6.041 429 H SER 57 H SER 57 -12.976 4.668 -0.188 430 HA SER 57 HA SER 57 -15.791 5.209 -0.124 431 HB2 SER 57 HB2 SER 57 -14.150 5.522 -2.092 432 HB3 SER 57 HB3 SER 57 -14.427 3.807 -2.395 433 HG SER 57 HG SER 57 -16.284 4.305 -3.222 434 H GLU 58 H GLU 58 -14.008 2.179 -0.880 435 HA GLU 58 HA GLU 58 -16.509 0.728 -0.490 436 HB2 GLU 58 HB2 GLU 58 -14.297 0.437 -2.221 437 HB3 GLU 58 HB3 GLU 58 -14.356 -1.004 -1.215 438 HG2 GLU 58 HG2 GLU 58 -15.785 -1.735 -2.771 439 HG3 GLU 58 HG3 GLU 58 -16.959 -0.765 -1.882 440 H PHE 59 H PHE 59 -13.120 0.171 0.511 441 HA PHE 59 HA PHE 59 -14.155 -1.390 2.769 442 HB2 PHE 59 HB2 PHE 59 -11.606 -1.432 1.213 443 HB3 PHE 59 HB3 PHE 59 -11.600 -2.020 2.872 444 HD1 PHE 59 HD1 PHE 59 -14.271 -2.329 0.311 445 HD2 PHE 59 HD2 PHE 59 -11.319 -4.314 2.647 446 HE1 PHE 59 HE1 PHE 59 -15.127 -4.502 -0.461 447 HE2 PHE 59 HE2 PHE 59 -12.170 -6.491 1.880 448 HZ PHE 59 HZ PHE 59 -14.076 -6.587 0.323 449 H LYS 60 H LYS 60 -14.292 1.403 2.978 450 HA LYS 60 HA LYS 60 -12.235 2.745 4.171 451 HB2 LYS 60 HB2 LYS 60 -13.965 4.044 5.383 452 HB3 LYS 60 HB3 LYS 60 -14.310 3.833 3.673 453 HG2 LYS 60 HG2 LYS 60 -16.016 2.292 4.082 454 HG3 LYS 60 HG3 LYS 60 -15.481 2.010 5.740 455 HD2 LYS 60 HD2 LYS 60 -15.981 4.715 5.707 456 HD3 LYS 60 HD3 LYS 60 -17.249 4.069 4.663 457 HE2 LYS 60 HE2 LYS 60 -18.164 4.047 6.827 458 HE3 LYS 60 HE3 LYS 60 -17.692 2.378 6.509 459 HZ1 LYS 60 HZ1 LYS 60 -15.529 3.036 7.685 460 HZ2 LYS 60 HZ2 LYS 60 -16.904 2.776 8.634 461 HZ3 LYS 60 HZ3 LYS 60 -16.406 4.354 8.282 462 H ASP 61 H ASP 61 -14.249 0.259 5.587 463 HA ASP 61 HA ASP 61 -12.667 0.466 8.065 464 HB2 ASP 61 HB2 ASP 61 -15.339 0.788 7.944 465 HB3 ASP 61 HB3 ASP 61 -15.267 -0.962 8.134 466 H ARG 62 H ARG 62 -11.831 -0.987 5.755 467 HA ARG 62 HA ARG 62 -11.569 -3.611 6.971 468 HB2 ARG 62 HB2 ARG 62 -13.083 -3.092 4.472 469 HB3 ARG 62 HB3 ARG 62 -12.033 -4.502 4.492 470 HG2 ARG 62 HG2 ARG 62 -13.192 -5.406 6.393 471 HG3 ARG 62 HG3 ARG 62 -14.165 -3.941 6.542 472 HD2 ARG 62 HD2 ARG 62 -15.594 -4.603 4.953 473 HD3 ARG 62 HD3 ARG 62 -14.294 -5.137 3.887 474 HE ARG 62 HE ARG 62 -14.367 -7.066 5.777 475 HH11 ARG 62 HH11 ARG 62 -16.816 -5.628 3.749 476 HH12 ARG 62 HH12 ARG 62 -17.781 -7.065 3.681 477 HH21 ARG 62 HH21 ARG 62 -15.634 -8.956 5.689 478 HH22 ARG 62 HH22 ARG 62 -17.110 -8.954 4.783 479 H VAL 63 H VAL 63 -10.646 -1.375 4.397 480 HA VAL 63 HA VAL 63 -8.085 -2.815 4.176 481 HB VAL 63 HB VAL 63 -9.505 -2.689 2.091 482 HG11 VAL 63 HG11 VAL 63 -8.632 0.191 2.007 483 HG12 VAL 63 HG12 VAL 63 -10.240 -0.318 2.522 484 HG13 VAL 63 HG13 VAL 63 -9.692 -0.657 0.880 485 HG21 VAL 63 HG21 VAL 63 -7.635 -2.353 0.651 486 HG22 VAL 63 HG22 VAL 63 -7.029 -3.064 2.147 487 HG23 VAL 63 HG23 VAL 63 -6.824 -1.339 1.844 488 H VAL 64 H VAL 64 -6.164 -1.573 3.899 489 HA VAL 64 HA VAL 64 -6.309 1.262 4.591 490 HB VAL 64 HB VAL 64 -4.499 -0.626 6.100 491 HG11 VAL 64 HG11 VAL 64 -3.693 1.186 7.231 492 HG12 VAL 64 HG12 VAL 64 -5.170 2.123 7.008 493 HG13 VAL 64 HG13 VAL 64 -4.033 1.940 5.673 494 HG21 VAL 64 HG21 VAL 64 -5.960 -0.237 8.035 495 HG22 VAL 64 HG22 VAL 64 -6.808 -1.060 6.726 496 HG23 VAL 64 HG23 VAL 64 -7.074 0.661 7.004 497 H ILE 65 H ILE 65 -5.355 2.081 2.823 498 HA ILE 65 HA ILE 65 -2.867 0.839 1.862 499 HB ILE 65 HB ILE 65 -4.588 2.839 0.398 500 HG12 ILE 65 HG12 ILE 65 -4.512 -0.174 0.122 501 HG13 ILE 65 HG13 ILE 65 -5.835 0.756 0.820 502 HG21 ILE 65 HG21 ILE 65 -2.058 1.455 -0.169 503 HG22 ILE 65 HG22 ILE 65 -2.686 2.980 -0.794 504 HG23 ILE 65 HG23 ILE 65 -3.230 1.452 -1.487 505 HD11 ILE 65 HD11 ILE 65 -4.907 1.206 -1.992 506 HD12 ILE 65 HD12 ILE 65 -6.443 1.651 -1.248 507 HD13 ILE 65 HD13 ILE 65 -6.083 -0.043 -1.581 508 H ALA 66 H ALA 66 -1.031 1.814 2.386 509 HA ALA 66 HA ALA 66 -1.013 4.741 2.650 510 HB1 ALA 66 HB1 ALA 66 -0.852 4.362 4.867 511 HB2 ALA 66 HB2 ALA 66 0.844 4.083 4.476 512 HB3 ALA 66 HB3 ALA 66 -0.257 2.717 4.653 513 H LYS 67 H LYS 67 1.197 5.662 2.552 514 HA LYS 67 HA LYS 67 3.014 4.035 0.907 515 HB2 LYS 67 HB2 LYS 67 2.449 6.971 0.470 516 HB3 LYS 67 HB3 LYS 67 3.475 5.936 -0.513 517 HG2 LYS 67 HG2 LYS 67 1.694 4.881 -1.508 518 HG3 LYS 67 HG3 LYS 67 0.598 5.238 -0.172 519 HD2 LYS 67 HD2 LYS 67 0.023 6.575 -2.119 520 HD3 LYS 67 HD3 LYS 67 0.609 7.610 -0.816 521 HE2 LYS 67 HE2 LYS 67 1.804 8.485 -2.548 522 HE3 LYS 67 HE3 LYS 67 2.922 7.221 -2.039 523 HZ1 LYS 67 HZ1 LYS 67 0.953 7.008 -4.254 524 HZ2 LYS 67 HZ2 LYS 67 2.010 5.783 -3.761 525 HZ3 LYS 67 HZ3 LYS 67 2.624 7.210 -4.429 526 H VAL 68 H VAL 68 5.003 3.933 1.701 527 HA VAL 68 HA VAL 68 5.917 6.094 3.481 528 HB VAL 68 HB VAL 68 5.379 4.089 4.793 529 HG11 VAL 68 HG11 VAL 68 5.663 2.316 3.262 530 HG12 VAL 68 HG12 VAL 68 6.898 2.086 4.500 531 HG13 VAL 68 HG13 VAL 68 7.336 2.767 2.933 532 HG21 VAL 68 HG21 VAL 68 7.446 3.938 6.016 533 HG22 VAL 68 HG22 VAL 68 7.237 5.596 5.452 534 HG23 VAL 68 HG23 VAL 68 8.359 4.517 4.622 535 H ASP 69 H ASP 69 8.233 6.410 3.560 536 HA ASP 69 HA ASP 69 9.480 5.799 0.987 537 HB2 ASP 69 HB2 ASP 69 10.700 7.636 3.015 538 HB3 ASP 69 HB3 ASP 69 10.802 7.688 1.260 539 H ALA 70 H ALA 70 11.581 4.923 0.847 540 HA ALA 70 HA ALA 70 12.209 3.113 3.020 541 HB1 ALA 70 HB1 ALA 70 13.787 2.105 1.481 542 HB2 ALA 70 HB2 ALA 70 13.556 3.433 0.343 543 HB3 ALA 70 HB3 ALA 70 12.225 2.329 0.692 544 H THR 71 H THR 71 12.946 6.253 2.511 545 HA THR 71 HA THR 71 15.638 5.971 3.672 546 HB THR 71 HB THR 71 15.696 6.981 1.453 547 HG1 THR 71 HG1 THR 71 16.776 8.898 2.056 548 HG21 THR 71 HG21 THR 71 14.778 9.376 1.312 549 HG22 THR 71 HG22 THR 71 13.693 8.870 2.608 550 HG23 THR 71 HG23 THR 71 13.673 8.025 1.060 551 H ALA 72 H ALA 72 13.169 6.004 5.237 552 HA ALA 72 HA ALA 72 13.924 7.821 7.230 553 HB1 ALA 72 HB1 ALA 72 13.242 9.667 6.021 554 HB2 ALA 72 HB2 ALA 72 11.826 9.323 7.014 555 HB3 ALA 72 HB3 ALA 72 11.857 8.829 5.321 556 H ASN 73 H ASN 73 13.337 5.284 7.602 557 HA ASN 73 HA ASN 73 11.518 5.184 9.638 558 HB2 ASN 73 HB2 ASN 73 9.671 3.790 8.413 559 HB3 ASN 73 HB3 ASN 73 9.599 5.547 8.399 560 HD21 ASN 73 HD21 ASN 73 9.619 6.586 6.511 561 HD22 ASN 73 HD22 ASN 73 9.816 5.831 4.970 562 H ASP 74 H ASP 74 10.549 2.761 9.833 563 HA ASP 74 HA ASP 74 12.738 1.108 10.242 564 HB2 ASP 74 HB2 ASP 74 10.280 0.970 11.130 565 HB3 ASP 74 HB3 ASP 74 10.028 -0.069 9.732 566 H VAL 75 H VAL 75 10.180 0.435 7.848 567 HA VAL 75 HA VAL 75 10.224 -0.858 5.960 568 HB VAL 75 HB VAL 75 10.951 1.293 5.089 569 HG11 VAL 75 HG11 VAL 75 13.425 1.631 4.677 570 HG12 VAL 75 HG12 VAL 75 13.699 0.335 5.840 571 HG13 VAL 75 HG13 VAL 75 12.877 1.811 6.343 572 HG21 VAL 75 HG21 VAL 75 12.747 -0.591 3.657 573 HG22 VAL 75 HG22 VAL 75 11.542 0.529 3.022 574 HG23 VAL 75 HG23 VAL 75 11.032 -0.990 3.759 575 HA PRO 76 HA PRO 76 13.765 -3.559 7.601 576 HB2 PRO 76 HB2 PRO 76 12.173 -5.602 8.463 577 HB3 PRO 76 HB3 PRO 76 12.686 -4.261 9.495 578 HG2 PRO 76 HG2 PRO 76 10.097 -4.657 8.047 579 HG3 PRO 76 HG3 PRO 76 10.380 -4.060 9.693 580 HD2 PRO 76 HD2 PRO 76 9.838 -2.398 7.640 581 HD3 PRO 76 HD3 PRO 76 10.928 -1.937 8.964 582 H ASP 77 H ASP 77 10.879 -4.086 5.689 583 HA ASP 77 HA ASP 77 11.513 -6.561 4.553 584 HB2 ASP 77 HB2 ASP 77 9.936 -4.235 3.440 585 HB3 ASP 77 HB3 ASP 77 10.022 -5.815 2.667 586 H GLU 78 H GLU 78 12.484 -7.135 2.586 587 HA GLU 78 HA GLU 78 14.690 -5.423 1.829 588 HB2 GLU 78 HB2 GLU 78 15.451 -7.316 0.500 589 HB3 GLU 78 HB3 GLU 78 15.033 -7.842 2.125 590 HG2 GLU 78 HG2 GLU 78 12.930 -8.730 1.335 591 HG3 GLU 78 HG3 GLU 78 13.257 -8.125 -0.288 592 H ILE 79 H ILE 79 15.101 -4.653 -0.267 593 HA ILE 79 HA ILE 79 12.956 -4.848 -2.242 594 HB ILE 79 HB ILE 79 14.049 -2.158 -1.425 595 HG12 ILE 79 HG12 ILE 79 12.660 -3.156 0.391 596 HG13 ILE 79 HG13 ILE 79 11.961 -1.697 -0.308 597 HG21 ILE 79 HG21 ILE 79 13.331 -1.844 -3.555 598 HG22 ILE 79 HG22 ILE 79 11.811 -1.577 -2.703 599 HG23 ILE 79 HG23 ILE 79 12.135 -3.135 -3.465 600 HD11 ILE 79 HD11 ILE 79 10.516 -3.843 0.177 601 HD12 ILE 79 HD12 ILE 79 11.111 -4.313 -1.416 602 HD13 ILE 79 HD13 ILE 79 10.205 -2.812 -1.219 603 H GLN 80 H GLN 80 13.605 -4.421 -4.366 604 HA GLN 80 HA GLN 80 16.413 -4.775 -4.903 605 HB2 GLN 80 HB2 GLN 80 14.315 -4.058 -6.947 606 HB3 GLN 80 HB3 GLN 80 15.786 -4.996 -7.178 607 HG2 GLN 80 HG2 GLN 80 13.249 -5.839 -5.810 608 HG3 GLN 80 HG3 GLN 80 13.966 -6.502 -7.277 609 HE21 GLN 80 HE22 GLN 80 13.210 -8.037 -5.063 610 HE22 GLN 80 HE32 GLN 80 14.631 -8.736 -4.372 611 H GLY 81 H GLY 81 13.978 -2.296 -5.375 612 HA2 GLY 81 HA2 GLY 81 16.075 -0.226 -5.404 613 HA3 GLY 81 HA3 GLY 81 14.761 -0.185 -6.584 614 H PHE 82 H PHE 82 12.603 0.056 -5.833 615 HA PHE 82 HA PHE 82 11.919 0.411 -3.151 616 HB2 PHE 82 HB2 PHE 82 11.623 2.996 -4.584 617 HB3 PHE 82 HB3 PHE 82 11.503 2.605 -2.857 618 HD1 PHE 82 HD1 PHE 82 13.830 3.267 -5.626 619 HD2 PHE 82 HD2 PHE 82 13.440 2.577 -1.446 620 HE1 PHE 82 HE1 PHE 82 16.153 4.006 -5.292 621 HE2 PHE 82 HE2 PHE 82 15.762 3.316 -1.103 622 HZ PHE 82 HZ PHE 82 17.121 4.031 -3.027 623 HA PRO 83 HA PRO 83 8.272 2.031 -5.886 624 HB2 PRO 83 HB2 PRO 83 8.755 0.891 -8.363 625 HB3 PRO 83 HB3 PRO 83 8.701 2.599 -7.948 626 HG2 PRO 83 HG2 PRO 83 11.054 0.816 -8.284 627 HG3 PRO 83 HG3 PRO 83 10.886 2.541 -8.672 628 HD2 PRO 83 HD2 PRO 83 12.200 1.775 -6.499 629 HD3 PRO 83 HD3 PRO 83 11.114 3.182 -6.441 630 H THR 84 H THR 84 8.163 0.402 -4.305 631 HA THR 84 HA THR 84 7.580 -2.285 -5.312 632 HB THR 84 HB THR 84 7.913 -2.753 -2.744 633 HG1 THR 84 HG1 THR 84 9.813 -0.826 -2.727 634 HG21 THR 84 HG21 THR 84 10.084 -3.427 -3.111 635 HG22 THR 84 HG22 THR 84 10.407 -2.086 -4.213 636 HG23 THR 84 HG23 THR 84 9.385 -3.430 -4.730 637 H ILE 85 H ILE 85 5.789 -3.378 -4.599 638 HA ILE 85 HA ILE 85 3.800 -1.873 -3.052 639 HB ILE 85 HB ILE 85 3.014 -3.450 -5.491 640 HG12 ILE 85 HG12 ILE 85 4.556 -1.578 -6.124 641 HG13 ILE 85 HG13 ILE 85 2.930 -1.412 -6.782 642 HG21 ILE 85 HG21 ILE 85 1.566 -1.236 -4.054 643 HG22 ILE 85 HG22 ILE 85 1.346 -2.949 -3.695 644 HG23 ILE 85 HG23 ILE 85 0.925 -2.320 -5.289 645 HD11 ILE 85 HD11 ILE 85 3.077 -0.099 -4.247 646 HD12 ILE 85 HD12 ILE 85 2.716 0.573 -5.837 647 HD13 ILE 85 HD13 ILE 85 4.388 0.454 -5.289 648 H LYS 86 H LYS 86 3.603 -3.094 -1.282 649 HA LYS 86 HA LYS 86 3.514 -6.015 -1.582 650 HB2 LYS 86 HB2 LYS 86 4.189 -4.235 0.751 651 HB3 LYS 86 HB3 LYS 86 3.845 -5.947 0.956 652 HG2 LYS 86 HG2 LYS 86 5.827 -5.356 -1.117 653 HG3 LYS 86 HG3 LYS 86 6.309 -4.888 0.514 654 HD2 LYS 86 HD2 LYS 86 5.141 -7.443 0.727 655 HD3 LYS 86 HD3 LYS 86 6.215 -7.499 -0.672 656 HE2 LYS 86 HE2 LYS 86 7.795 -6.201 1.074 657 HE3 LYS 86 HE3 LYS 86 6.840 -7.171 2.195 658 HZ1 LYS 86 HZ1 LYS 86 8.595 -8.104 0.005 659 HZ2 LYS 86 HZ2 LYS 86 7.428 -9.112 0.700 660 HZ3 LYS 86 HZ3 LYS 86 8.676 -8.484 1.652 661 H LEU 87 H LEU 87 1.876 -7.228 -0.658 662 HA LEU 87 HA LEU 87 -0.465 -5.720 0.295 663 HB2 LEU 87 HB2 LEU 87 -0.925 -6.409 -1.961 664 HB3 LEU 87 HB3 LEU 87 -0.384 -8.042 -1.627 665 HG LEU 87 HG LEU 87 -2.904 -7.621 -1.794 666 HD11 LEU 87 HD11 LEU 87 -3.259 -9.499 -0.586 667 HD12 LEU 87 HD12 LEU 87 -2.352 -8.910 0.807 668 HD13 LEU 87 HD13 LEU 87 -1.497 -9.545 -0.599 669 HD21 LEU 87 HD21 LEU 87 -2.823 -5.588 -0.326 670 HD22 LEU 87 HD22 LEU 87 -2.538 -6.669 1.038 671 HD23 LEU 87 HD23 LEU 87 -4.039 -6.784 0.120 672 H TYR 88 H TYR 88 -0.844 -6.225 2.340 673 HA TYR 88 HA TYR 88 -0.009 -8.827 3.369 674 HB2 TYR 88 HB2 TYR 88 -0.065 -6.210 4.439 675 HB3 TYR 88 HB3 TYR 88 -1.218 -7.158 5.372 676 HD1 TYR 88 HD2 TYR 88 -0.394 -9.381 6.358 677 HD2 TYR 88 HD1 TYR 88 2.226 -6.376 4.871 678 HE1 TYR 88 HE2 TYR 88 1.453 -10.359 7.653 679 HE2 TYR 88 HE1 TYR 88 4.080 -7.346 6.162 680 HH TYR 88 HH TYR 88 4.451 -10.008 7.134 681 HA PRO 89 HA PRO 89 -4.367 -9.966 2.739 682 HB2 PRO 89 HB2 PRO 89 -3.978 -12.627 3.179 683 HB3 PRO 89 HB3 PRO 89 -3.671 -11.845 1.625 684 HG2 PRO 89 HG2 PRO 89 -1.739 -12.578 3.791 685 HG3 PRO 89 HG3 PRO 89 -1.578 -12.771 2.035 686 HD2 PRO 89 HD2 PRO 89 -0.396 -10.748 3.370 687 HD3 PRO 89 HD3 PRO 89 -1.013 -10.553 1.717 688 H ALA 90 H ALA 90 -5.831 -9.748 4.294 689 HA ALA 90 HA ALA 90 -5.190 -9.873 7.047 690 HB1 ALA 90 HB1 ALA 90 -7.152 -8.679 5.644 691 HB2 ALA 90 HB2 ALA 90 -7.218 -8.942 7.387 692 HB3 ALA 90 HB3 ALA 90 -8.034 -10.061 6.295 693 H GLY 91 H GLY 91 -4.878 -11.650 8.205 694 HA2 GLY 91 HA2 GLY 91 -5.893 -13.589 9.246 695 HA3 GLY 91 HA3 GLY 91 -6.623 -13.972 7.695 696 H ALA 92 H ALA 92 -4.065 -13.328 6.294 697 HA ALA 92 HA ALA 92 -2.723 -15.877 6.876 698 HB1 ALA 92 HB1 ALA 92 -1.709 -15.212 4.492 699 HB2 ALA 92 HB2 ALA 92 -3.245 -14.351 4.398 700 HB3 ALA 92 HB3 ALA 92 -3.225 -16.093 4.679 701 H LYS 93 H LYS 93 -1.563 -14.859 8.655 702 HA LYS 93 HA LYS 93 0.248 -12.712 8.201 703 HB2 LYS 93 HB2 LYS 93 -0.658 -13.284 10.433 704 HB3 LYS 93 HB3 LYS 93 0.261 -14.782 10.405 705 HG2 LYS 93 HG2 LYS 93 2.342 -13.532 10.364 706 HG3 LYS 93 HG3 LYS 93 1.443 -12.013 10.325 707 HD2 LYS 93 HD2 LYS 93 2.118 -12.356 12.577 708 HD3 LYS 93 HD3 LYS 93 0.390 -12.708 12.504 709 HE2 LYS 93 HE2 LYS 93 1.334 -14.435 13.800 710 HE3 LYS 93 HE3 LYS 93 1.042 -15.139 12.210 711 HZ1 LYS 93 HZ1 LYS 93 3.565 -14.546 13.545 712 HZ2 LYS 93 HZ2 LYS 93 3.518 -14.303 11.872 713 HZ3 LYS 93 HZ3 LYS 93 3.160 -15.825 12.515 714 H GLY 94 H GLY 94 1.021 -13.863 6.135 715 HA2 GLY 94 HA2 GLY 94 3.677 -14.429 6.246 716 HA3 GLY 94 HA3 GLY 94 2.925 -15.996 6.503 717 H GLN 95 H GLN 95 1.849 -13.343 4.415 718 HA GLN 95 HA GLN 95 2.611 -14.843 2.040 719 HB2 GLN 95 HB2 GLN 95 -0.243 -14.177 2.759 720 HB3 GLN 95 HB3 GLN 95 0.263 -14.536 1.114 721 HG2 GLN 95 HG2 GLN 95 0.823 -16.439 3.354 722 HG3 GLN 95 HG3 GLN 95 -0.737 -16.421 2.532 723 HE21 GLN 95 HE22 GLN 95 2.716 -16.867 2.087 724 HE22 GLN 95 HE32 GLN 95 2.598 -17.828 0.656 725 HA PRO 96 HA PRO 96 2.718 -10.111 1.837 726 HB2 PRO 96 HB2 PRO 96 5.410 -9.825 1.652 727 HB3 PRO 96 HB3 PRO 96 4.552 -9.848 3.197 728 HG2 PRO 96 HG2 PRO 96 6.045 -12.051 1.826 729 HG3 PRO 96 HG3 PRO 96 6.053 -11.591 3.538 730 HD2 PRO 96 HD2 PRO 96 4.600 -13.672 2.595 731 HD3 PRO 96 HD3 PRO 96 4.071 -12.684 3.971 732 H VAL 97 H VAL 97 2.172 -9.569 -0.176 733 HA VAL 97 HA VAL 97 3.210 -10.975 -2.463 734 HB VAL 97 HB VAL 97 1.488 -8.497 -2.480 735 HG11 VAL 97 HG11 VAL 97 2.435 -9.054 -4.629 736 HG12 VAL 97 HG12 VAL 97 0.710 -9.426 -4.629 737 HG13 VAL 97 HG13 VAL 97 1.892 -10.725 -4.470 738 HG21 VAL 97 HG21 VAL 97 0.546 -10.312 -1.036 739 HG22 VAL 97 HG22 VAL 97 0.520 -11.351 -2.461 740 HG23 VAL 97 HG23 VAL 97 -0.456 -9.882 -2.421 741 H THR 98 H THR 98 4.392 -10.048 -4.188 742 HA THR 98 HA THR 98 5.687 -7.475 -3.638 743 HB THR 98 HB THR 98 7.457 -9.513 -4.821 744 HG1 THR 98 HG1 THR 98 6.692 -9.676 -2.096 745 HG21 THR 98 HG21 THR 98 9.003 -8.108 -4.115 746 HG22 THR 98 HG22 THR 98 8.467 -8.310 -2.447 747 HG23 THR 98 HG23 THR 98 7.736 -7.068 -3.464 748 H TYR 99 H TYR 99 5.048 -6.252 -5.285 749 HA TYR 99 HA TYR 99 4.364 -7.277 -7.849 750 HB2 TYR 99 HB2 TYR 99 4.082 -4.826 -6.455 751 HB3 TYR 99 HB3 TYR 99 4.920 -4.466 -7.961 752 HD1 TYR 99 HD1 TYR 99 3.840 -5.813 -10.054 753 HD2 TYR 99 HD2 TYR 99 1.791 -4.654 -6.511 754 HE1 TYR 99 HE1 TYR 99 1.706 -5.900 -11.268 755 HE2 TYR 99 HE2 TYR 99 -0.351 -4.736 -7.717 756 HH TYR 99 HH TYR 99 -0.839 -6.276 -10.497 757 H SER 100 H SER 100 5.500 -7.347 -9.726 758 HA SER 100 HA SER 100 8.383 -6.933 -9.512 759 HB2 SER 100 HB2 SER 100 7.701 -9.102 -10.343 760 HB3 SER 100 HB3 SER 100 6.711 -8.353 -11.595 761 HG SER 100 HG SER 100 8.428 -8.322 -12.784 762 H GLY 101 H GLY 101 6.321 -4.748 -9.911 763 HA2 GLY 101 HA2 GLY 101 7.259 -2.691 -10.978 764 HA3 GLY 101 HA3 GLY 101 7.418 -3.665 -12.432 765 H SER 102 H SER 102 5.495 -1.479 -10.807 766 HA SER 102 HA SER 102 2.909 -2.324 -11.607 767 HB2 SER 102 HB2 SER 102 3.522 0.579 -11.256 768 HB3 SER 102 HB3 SER 102 2.144 -0.356 -10.677 769 HG SER 102 HG SER 102 3.714 -1.392 -9.229 770 H ARG 103 H ARG 103 1.913 -2.189 -13.512 771 HA ARG 103 HA ARG 103 3.221 -0.642 -15.646 772 HB2 ARG 103 HB2 ARG 103 1.826 -2.182 -17.155 773 HB3 ARG 103 HB3 ARG 103 3.209 -2.884 -16.326 774 HG2 ARG 103 HG2 ARG 103 1.751 -3.853 -14.651 775 HG3 ARG 103 HG3 ARG 103 0.349 -3.092 -15.406 776 HD2 ARG 103 HD2 ARG 103 0.200 -4.680 -16.974 777 HD3 ARG 103 HD3 ARG 103 1.938 -4.666 -17.274 778 HE ARG 103 HE ARG 103 0.492 -6.500 -15.630 779 HH11 ARG 103 HH11 ARG 103 3.578 -4.924 -16.042 780 HH12 ARG 103 HH12 ARG 103 4.463 -6.169 -15.226 781 HH21 ARG 103 HH21 ARG 103 1.655 -8.138 -14.556 782 HH22 ARG 103 HH22 ARG 103 3.372 -7.993 -14.383 783 H THR 104 H THR 104 0.224 -1.193 -13.948 784 HA THR 104 HA THR 104 -0.843 1.292 -14.903 785 HB THR 104 HB THR 104 -1.565 0.081 -16.796 786 HG1 THR 104 HG1 THR 104 -3.281 1.229 -15.984 787 HG21 THR 104 HG21 THR 104 -2.049 -2.143 -14.895 788 HG22 THR 104 HG22 THR 104 -1.322 -2.159 -16.501 789 HG23 THR 104 HG23 THR 104 -3.071 -2.018 -16.326 790 H VAL 105 H VAL 105 -3.093 1.656 -13.980 791 HA VAL 105 HA VAL 105 -3.022 1.001 -11.192 792 HB VAL 105 HB VAL 105 -5.241 2.382 -12.706 793 HG11 VAL 105 HG11 VAL 105 -5.615 1.486 -10.335 794 HG12 VAL 105 HG12 VAL 105 -6.006 3.177 -10.644 795 HG13 VAL 105 HG13 VAL 105 -4.504 2.755 -9.821 796 HG21 VAL 105 HG21 VAL 105 -2.669 3.263 -12.604 797 HG22 VAL 105 HG22 VAL 105 -3.355 4.019 -11.167 798 HG23 VAL 105 HG23 VAL 105 -4.083 4.306 -12.748 799 H GLU 106 H GLU 106 -5.006 0.054 -13.954 800 HA GLU 106 HA GLU 106 -7.031 -1.318 -12.643 801 HB2 GLU 106 HB2 GLU 106 -7.346 -2.555 -14.725 802 HB3 GLU 106 HB3 GLU 106 -7.048 -0.853 -15.053 803 HG2 GLU 106 HG2 GLU 106 -4.914 -1.256 -15.878 804 HG3 GLU 106 HG3 GLU 106 -4.814 -2.840 -15.112 805 H ASP 107 H ASP 107 -3.722 -2.234 -13.225 806 HA ASP 107 HA ASP 107 -4.115 -5.010 -12.571 807 HB2 ASP 107 HB2 ASP 107 -2.276 -3.993 -14.072 808 HB3 ASP 107 HB3 ASP 107 -1.460 -3.593 -12.564 809 H LEU 108 H LEU 108 -3.030 -2.105 -10.910 810 HA LEU 108 HA LEU 108 -2.082 -3.362 -8.565 811 HB2 LEU 108 HB2 LEU 108 -2.937 -0.593 -9.286 812 HB3 LEU 108 HB3 LEU 108 -2.702 -0.992 -7.594 813 HG LEU 108 HG LEU 108 -0.543 -1.553 -9.599 814 HD11 LEU 108 HD11 LEU 108 -1.523 0.941 -9.421 815 HD12 LEU 108 HD12 LEU 108 0.182 0.581 -9.692 816 HD13 LEU 108 HD13 LEU 108 -0.391 0.962 -8.068 817 HD21 LEU 108 HD21 LEU 108 -0.811 -1.381 -6.648 818 HD22 LEU 108 HD22 LEU 108 0.716 -0.872 -7.369 819 HD23 LEU 108 HD23 LEU 108 0.115 -2.508 -7.639 820 H ILE 109 H ILE 109 -5.260 -2.293 -9.586 821 HA ILE 109 HA ILE 109 -6.510 -2.579 -7.038 822 HB ILE 109 HB ILE 109 -7.877 -2.673 -9.727 823 HG12 ILE 109 HG12 ILE 109 -7.580 -0.148 -8.148 824 HG13 ILE 109 HG13 ILE 109 -6.257 -0.665 -9.185 825 HG21 ILE 109 HG21 ILE 109 -8.866 -2.973 -7.155 826 HG22 ILE 109 HG22 ILE 109 -9.798 -2.607 -8.607 827 HG23 ILE 109 HG23 ILE 109 -9.233 -1.297 -7.569 828 HD11 ILE 109 HD11 ILE 109 -7.463 0.752 -10.545 829 HD12 ILE 109 HD12 ILE 109 -9.017 0.187 -9.930 830 HD13 ILE 109 HD13 ILE 109 -8.071 -0.836 -11.012 831 H LYS 110 H LYS 110 -6.510 -4.560 -9.995 832 HA LYS 110 HA LYS 110 -8.048 -6.675 -8.976 833 HB2 LYS 110 HB2 LYS 110 -5.959 -6.638 -11.158 834 HB3 LYS 110 HB3 LYS 110 -7.010 -8.009 -10.829 835 HG2 LYS 110 HG2 LYS 110 -8.464 -5.507 -11.165 836 HG3 LYS 110 HG3 LYS 110 -7.526 -5.972 -12.586 837 HD2 LYS 110 HD2 LYS 110 -8.646 -8.049 -12.761 838 HD3 LYS 110 HD3 LYS 110 -9.356 -7.884 -11.154 839 HE2 LYS 110 HE2 LYS 110 -10.004 -5.711 -13.020 840 HE3 LYS 110 HE3 LYS 110 -10.628 -7.293 -13.485 841 HZ1 LYS 110 HZ1 LYS 110 -12.059 -7.331 -11.768 842 HZ2 LYS 110 HZ2 LYS 110 -11.893 -5.649 -11.831 843 HZ3 LYS 110 HZ3 LYS 110 -11.005 -6.544 -10.704 844 H PHE 111 H PHE 111 -4.766 -5.788 -8.445 845 HA PHE 111 HA PHE 111 -3.769 -8.353 -7.700 846 HB2 PHE 111 HB2 PHE 111 -2.624 -5.927 -8.218 847 HB3 PHE 111 HB3 PHE 111 -2.515 -5.990 -6.463 848 HD1 PHE 111 HD2 PHE 111 -2.127 -8.566 -9.138 849 HD2 PHE 111 HD1 PHE 111 -0.391 -6.537 -5.826 850 HE1 PHE 111 HE2 PHE 111 -0.130 -9.993 -9.316 851 HE2 PHE 111 HE1 PHE 111 1.609 -7.957 -5.996 852 HZ PHE 111 HZ PHE 111 1.742 -9.689 -7.744 853 H ILE 112 H ILE 112 -4.723 -5.498 -5.807 854 HA ILE 112 HA ILE 112 -4.397 -6.497 -3.262 855 HB ILE 112 HB ILE 112 -6.587 -4.635 -4.192 856 HG12 ILE 112 HG12 ILE 112 -4.166 -3.592 -2.859 857 HG13 ILE 112 HG13 ILE 112 -3.918 -4.236 -4.479 858 HG21 ILE 112 HG21 ILE 112 -7.027 -5.508 -1.965 859 HG22 ILE 112 HG22 ILE 112 -6.569 -3.807 -1.880 860 HG23 ILE 112 HG23 ILE 112 -5.402 -5.056 -1.449 861 HD11 ILE 112 HD11 ILE 112 -5.422 -1.848 -3.592 862 HD12 ILE 112 HD12 ILE 112 -6.031 -2.729 -4.994 863 HD13 ILE 112 HD13 ILE 112 -4.389 -2.084 -5.002 864 H ALA 113 H ALA 113 -7.230 -6.818 -5.378 865 HA ALA 113 HA ALA 113 -8.711 -8.300 -3.406 866 HB1 ALA 113 HB1 ALA 113 -10.023 -8.723 -5.771 867 HB2 ALA 113 HB2 ALA 113 -9.230 -7.172 -6.044 868 HB3 ALA 113 HB3 ALA 113 -10.308 -7.380 -4.664 869 H GLU 114 H GLU 114 -6.398 -9.074 -5.818 870 HA GLU 114 HA GLU 114 -7.261 -11.788 -6.221 871 HB2 GLU 114 HB2 GLU 114 -5.077 -10.056 -7.199 872 HB3 GLU 114 HB3 GLU 114 -4.697 -11.771 -7.109 873 HG2 GLU 114 HG2 GLU 114 -6.675 -12.260 -8.483 874 HG3 GLU 114 HG3 GLU 114 -6.992 -10.530 -8.610 875 H ASN 115 H ASN 115 -4.486 -10.269 -4.573 876 HA ASN 115 HA ASN 115 -3.838 -12.800 -3.293 877 HB2 ASN 115 HB2 ASN 115 -2.392 -10.304 -2.564 878 HB3 ASN 115 HB3 ASN 115 -1.767 -11.927 -2.832 879 HD21 ASN 115 HD21 ASN 115 -2.276 -8.854 -4.149 880 HD22 ASN 115 HD22 ASN 115 -1.725 -9.182 -5.752 881 H GLY 116 H GLY 116 -5.185 -9.662 -2.493 882 HA2 GLY 116 HA2 GLY 116 -5.027 -9.790 0.297 883 HA3 GLY 116 HA3 GLY 116 -6.247 -8.903 -0.603 884 H LYS 117 H LYS 117 -5.763 -11.313 1.607 885 HA LYS 117 HA LYS 117 -7.593 -13.301 0.962 886 HB2 LYS 117 HB2 LYS 117 -6.105 -12.495 3.262 887 HB3 LYS 117 HB3 LYS 117 -7.757 -12.824 3.765 888 HG2 LYS 117 HG2 LYS 117 -7.546 -15.023 2.524 889 HG3 LYS 117 HG3 LYS 117 -5.818 -14.681 2.425 890 HD2 LYS 117 HD2 LYS 117 -5.707 -15.745 4.400 891 HD3 LYS 117 HD3 LYS 117 -6.319 -14.230 5.067 892 HE2 LYS 117 HE2 LYS 117 -7.728 -15.869 5.962 893 HE3 LYS 117 HE3 LYS 117 -8.648 -15.185 4.622 894 HZ1 LYS 117 HZ1 LYS 117 -7.603 -17.110 3.293 895 HZ2 LYS 117 HZ2 LYS 117 -8.900 -17.444 4.326 896 HZ3 LYS 117 HZ3 LYS 117 -7.320 -17.808 4.808 897 H TYR 118 H TYR 118 -8.104 -10.124 2.377 898 HA TYR 118 HA TYR 118 -10.891 -10.564 2.916 899 HB2 TYR 118 HB2 TYR 118 -8.932 -8.471 3.391 900 HB3 TYR 118 HB3 TYR 118 -10.469 -7.806 2.844 901 HD1 TYR 118 HD2 TYR 118 -9.834 -10.806 4.959 902 HD2 TYR 118 HD1 TYR 118 -11.397 -6.853 4.761 903 HE1 TYR 118 HE2 TYR 118 -10.743 -11.057 7.230 904 HE2 TYR 118 HE1 TYR 118 -12.309 -7.094 7.032 905 HH TYR 118 HH TYR 118 -11.373 -9.200 9.177 906 H LYS 119 H LYS 119 -9.053 -9.720 0.162 907 HA LYS 119 HA LYS 119 -9.636 -9.266 -1.985 908 HB2 LYS 119 HB2 LYS 119 -11.816 -10.689 -0.974 909 HB3 LYS 119 HB3 LYS 119 -12.530 -9.280 -1.743 910 HG2 LYS 119 HG2 LYS 119 -11.702 -9.850 -3.840 911 HG3 LYS 119 HG3 LYS 119 -10.488 -10.940 -3.168 912 HD2 LYS 119 HD2 LYS 119 -13.279 -11.628 -2.539 913 HD3 LYS 119 HD3 LYS 119 -12.842 -11.746 -4.245 914 HE2 LYS 119 HE2 LYS 119 -10.709 -12.949 -3.102 915 HE3 LYS 119 HE3 LYS 119 -11.972 -13.368 -1.945 916 HZ1 LYS 119 HZ1 LYS 119 -13.293 -14.207 -3.842 917 HZ2 LYS 119 HZ2 LYS 119 -11.855 -15.063 -3.599 918 HZ3 LYS 119 HZ3 LYS 119 -11.966 -13.938 -4.857 919 H ALA 120 H ALA 120 -9.051 -7.138 -0.449 920 HA ALA 120 HA ALA 120 -11.039 -5.132 -0.331 921 HB1 ALA 120 HB1 ALA 120 -8.073 -5.185 -0.077 922 HB2 ALA 120 HB2 ALA 120 -9.298 -4.668 1.082 923 HB3 ALA 120 HB3 ALA 120 -8.881 -3.630 -0.281 924 H ALA 121 H ALA 121 -11.909 -5.520 -2.535 925 HA ALA 121 HA ALA 121 -11.333 -3.412 -4.252 926 HB1 ALA 121 HB1 ALA 121 -10.501 -5.631 -5.903 927 HB2 ALA 121 HB2 ALA 121 -9.417 -5.414 -4.529 928 HB3 ALA 121 HB3 ALA 121 -9.719 -4.073 -5.634 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -9.870 21.078 8.464 2 H2 GLY 1 2H GLY 1 -11.439 20.692 7.966 3 H3 GLY 1 3H GLY 1 -11.196 21.543 9.406 4 HA2 GLY 1 HA3 GLY 1 -11.674 23.330 8.155 5 HA3 GLY 1 HA2 GLY 1 -9.973 23.191 7.736 6 HA PRO 2 HA PRO 2 -12.918 23.136 3.941 7 HB2 PRO 2 HB2 PRO 2 -10.903 25.198 3.181 8 HB3 PRO 2 HB3 PRO 2 -12.645 25.162 2.882 9 HG2 PRO 2 HG2 PRO 2 -11.626 26.743 4.765 10 HG3 PRO 2 HG3 PRO 2 -13.161 25.893 5.022 11 HD2 PRO 2 HD2 PRO 2 -10.452 25.292 6.121 12 HD3 PRO 2 HD3 PRO 2 -12.046 25.109 6.881 13 H LEU 3 H LEU 3 -9.447 23.936 3.696 14 HA LEU 3 HA LEU 3 -8.594 21.397 2.875 15 HB2 LEU 3 HB2 LEU 3 -9.954 22.844 0.848 16 HB3 LEU 3 HB3 LEU 3 -8.253 22.832 0.424 17 HG LEU 3 HG LEU 3 -9.692 20.297 1.152 18 HD11 LEU 3 HD11 LEU 3 -9.310 20.925 -1.701 19 HD12 LEU 3 HD12 LEU 3 -10.595 21.809 -0.878 20 HD13 LEU 3 HD13 LEU 3 -10.607 20.046 -0.891 21 HD21 LEU 3 HD21 LEU 3 -7.522 20.410 -0.842 22 HD22 LEU 3 HD22 LEU 3 -7.836 19.232 0.433 23 HD23 LEU 3 HD23 LEU 3 -7.067 20.771 0.823 24 H GLY 4 H GLY 4 -6.637 21.544 3.759 25 HA2 GLY 4 HA2 GLY 4 -4.934 23.814 2.948 26 HA3 GLY 4 HA3 GLY 4 -5.005 23.295 4.625 27 H SER 5 H SER 5 -4.796 20.666 4.621 28 HA SER 5 HA SER 5 -2.150 20.217 3.457 29 HB2 SER 5 HB2 SER 5 -1.922 18.412 5.064 30 HB3 SER 5 HB3 SER 5 -2.483 19.859 5.901 31 HG SER 5 HG SER 5 -4.648 18.945 5.629 32 H GLU 6 H GLU 6 -1.878 17.624 3.146 33 HA GLU 6 HA GLU 6 -4.136 16.552 1.646 34 HB2 GLU 6 HB2 GLU 6 -2.523 15.990 -0.258 35 HB3 GLU 6 HB3 GLU 6 -3.076 17.655 -0.139 36 HG2 GLU 6 HG2 GLU 6 -0.915 18.052 1.198 37 HG3 GLU 6 HG3 GLU 6 -0.390 16.513 0.515 38 H GLY 7 H GLY 7 -4.382 14.740 2.830 39 HA2 GLY 7 HA2 GLY 7 -2.215 12.787 2.730 40 HA3 GLY 7 HA3 GLY 7 -2.779 13.254 4.327 41 HA PRO 8 HA PRO 8 -6.641 11.134 2.410 42 HB2 PRO 8 HB2 PRO 8 -6.483 10.212 -0.140 43 HB3 PRO 8 HB3 PRO 8 -7.021 11.847 0.260 44 HG2 PRO 8 HG2 PRO 8 -4.332 10.911 -0.665 45 HG3 PRO 8 HG3 PRO 8 -5.255 12.339 -1.171 46 HD2 PRO 8 HD2 PRO 8 -3.218 12.482 0.603 47 HD3 PRO 8 HD3 PRO 8 -4.627 13.558 0.683 48 H VAL 9 H VAL 9 -3.473 9.968 1.465 49 HA VAL 9 HA VAL 9 -4.273 7.182 1.684 50 HB VAL 9 HB VAL 9 -1.475 8.242 1.303 51 HG11 VAL 9 HG11 VAL 9 -2.790 5.584 1.125 52 HG12 VAL 9 HG12 VAL 9 -1.193 6.020 1.732 53 HG13 VAL 9 HG13 VAL 9 -1.484 5.943 -0.005 54 HG21 VAL 9 HG21 VAL 9 -2.779 9.204 -0.456 55 HG22 VAL 9 HG22 VAL 9 -3.596 7.671 -0.761 56 HG23 VAL 9 HG23 VAL 9 -1.881 7.846 -1.131 57 H THR 10 H THR 10 -3.309 5.705 3.165 58 HA THR 10 HA THR 10 -3.076 6.729 5.811 59 HB THR 10 HB THR 10 -2.523 3.965 4.711 60 HG1 THR 10 HG1 THR 10 -4.647 4.330 4.476 61 HG21 THR 10 HG21 THR 10 -3.138 4.618 7.570 62 HG22 THR 10 HG22 THR 10 -1.486 4.472 6.969 63 HG23 THR 10 HG23 THR 10 -2.582 3.093 6.880 64 H VAL 11 H VAL 11 -1.289 6.894 7.141 65 HA VAL 11 HA VAL 11 1.289 6.950 5.739 66 HB VAL 11 HB VAL 11 2.046 8.302 7.729 67 HG11 VAL 11 HG11 VAL 11 -0.206 9.827 6.597 68 HG12 VAL 11 HG12 VAL 11 0.880 9.077 5.427 69 HG13 VAL 11 HG13 VAL 11 1.518 10.199 6.629 70 HG21 VAL 11 HG21 VAL 11 0.702 8.763 9.459 71 HG22 VAL 11 HG22 VAL 11 -0.284 7.422 8.877 72 HG23 VAL 11 HG23 VAL 11 -0.685 9.077 8.417 73 H VAL 12 H VAL 12 2.655 5.340 6.069 74 HA VAL 12 HA VAL 12 2.462 3.808 8.575 75 HB VAL 12 HB VAL 12 3.410 3.009 5.828 76 HG11 VAL 12 HG11 VAL 12 3.687 0.739 7.307 77 HG12 VAL 12 HG12 VAL 12 4.277 1.966 8.428 78 HG13 VAL 12 HG13 VAL 12 5.014 1.800 6.835 79 HG21 VAL 12 HG21 VAL 12 1.599 1.353 7.483 80 HG22 VAL 12 HG22 VAL 12 1.590 1.657 5.746 81 HG23 VAL 12 HG23 VAL 12 0.955 2.870 6.857 82 H VAL 13 H VAL 13 3.800 4.931 9.906 83 HA VAL 13 HA VAL 13 6.562 5.398 9.012 84 HB VAL 13 HB VAL 13 6.648 6.789 11.184 85 HG11 VAL 13 HG11 VAL 13 5.966 8.744 10.032 86 HG12 VAL 13 HG12 VAL 13 4.849 7.837 9.013 87 HG13 VAL 13 HG13 VAL 13 6.589 7.634 8.812 88 HG21 VAL 13 HG21 VAL 13 4.434 5.832 11.975 89 HG22 VAL 13 HG22 VAL 13 3.670 6.895 10.793 90 HG23 VAL 13 HG23 VAL 13 4.630 7.580 12.104 91 H ALA 14 H ALA 14 8.288 4.977 10.567 92 HA ALA 14 HA ALA 14 8.388 2.410 11.509 93 HB1 ALA 14 HB1 ALA 14 9.901 4.453 13.044 94 HB2 ALA 14 HB2 ALA 14 10.201 4.325 11.311 95 HB3 ALA 14 HB3 ALA 14 10.443 2.923 12.354 96 H LYS 15 H LYS 15 6.945 5.172 13.045 97 HA LYS 15 HA LYS 15 6.883 4.244 15.699 98 HB2 LYS 15 HB2 LYS 15 5.148 6.174 14.170 99 HB3 LYS 15 HB3 LYS 15 4.877 5.822 15.872 100 HG2 LYS 15 HG2 LYS 15 7.244 6.524 16.297 101 HG3 LYS 15 HG3 LYS 15 7.308 7.073 14.621 102 HD2 LYS 15 HD2 LYS 15 5.658 8.717 14.990 103 HD3 LYS 15 HD3 LYS 15 5.183 8.004 16.533 104 HE2 LYS 15 HE2 LYS 15 7.791 8.512 17.010 105 HE3 LYS 15 HE3 LYS 15 7.415 9.815 15.883 106 HZ1 LYS 15 HZ1 LYS 15 5.563 9.332 18.098 107 HZ2 LYS 15 HZ2 LYS 15 5.978 10.784 17.337 108 HZ3 LYS 15 HZ3 LYS 15 7.039 10.080 18.450 109 H ASN 16 H ASN 16 4.530 3.919 13.052 110 HA ASN 16 HA ASN 16 3.251 1.756 14.587 111 HB2 ASN 16 HB2 ASN 16 1.164 2.526 13.140 112 HB3 ASN 16 HB3 ASN 16 1.537 3.279 14.686 113 HD21 ASN 16 HD21 ASN 16 2.675 3.630 11.336 114 HD22 ASN 16 HD22 ASN 16 2.497 5.348 11.278 115 H TYR 17 H TYR 17 5.355 1.689 12.541 116 HA TYR 17 HA TYR 17 4.289 0.840 10.060 117 HB2 TYR 17 HB2 TYR 17 6.689 1.587 10.633 118 HB3 TYR 17 HB3 TYR 17 6.932 -0.068 11.180 119 HD1 TYR 17 HD2 TYR 17 5.983 -1.862 9.353 120 HD2 TYR 17 HD1 TYR 17 7.427 2.052 8.514 121 HE1 TYR 17 HE2 TYR 17 6.484 -2.546 7.045 122 HE2 TYR 17 HE1 TYR 17 7.932 1.378 6.206 123 HH TYR 17 HH TYR 17 8.383 -0.668 4.944 124 H ASN 18 H ASN 18 5.453 -0.922 12.900 125 HA ASN 18 HA ASN 18 4.960 -3.506 11.855 126 HB2 ASN 18 HB2 ASN 18 4.971 -2.842 14.787 127 HB3 ASN 18 HB3 ASN 18 5.502 -4.324 13.999 128 HD21 ASN 18 HD21 ASN 18 6.687 -1.981 15.715 129 HD22 ASN 18 HD22 ASN 18 8.221 -1.723 14.965 130 H GLU 19 H GLU 19 3.162 -1.637 14.314 131 HA GLU 19 HA GLU 19 1.082 -3.370 14.743 132 HB2 GLU 19 HB2 GLU 19 1.442 -0.454 14.956 133 HB3 GLU 19 HB3 GLU 19 -0.230 -0.989 14.853 134 HG2 GLU 19 HG2 GLU 19 0.144 -0.961 17.122 135 HG3 GLU 19 HG3 GLU 19 0.437 -2.651 16.715 136 H ILE 20 H ILE 20 1.515 -1.202 12.015 137 HA ILE 20 HA ILE 20 -1.124 -1.567 10.974 138 HB ILE 20 HB ILE 20 1.384 -0.439 9.737 139 HG12 ILE 20 HG12 ILE 20 0.249 0.828 11.576 140 HG13 ILE 20 HG13 ILE 20 0.310 1.695 10.045 141 HG21 ILE 20 HG21 ILE 20 -1.355 -0.778 8.545 142 HG22 ILE 20 HG22 ILE 20 0.202 -1.261 7.874 143 HG23 ILE 20 HG23 ILE 20 -0.222 0.447 7.974 144 HD11 ILE 20 HD11 ILE 20 -2.099 0.298 9.999 145 HD12 ILE 20 HD12 ILE 20 -1.866 2.028 10.252 146 HD13 ILE 20 HD13 ILE 20 -1.956 0.938 11.636 147 H VAL 21 H VAL 21 1.837 -2.304 9.171 148 HA VAL 21 HA VAL 21 0.839 -4.119 7.414 149 HB VAL 21 HB VAL 21 3.550 -4.381 8.719 150 HG11 VAL 21 HG11 VAL 21 4.172 -5.240 6.439 151 HG12 VAL 21 HG12 VAL 21 2.448 -5.307 6.074 152 HG13 VAL 21 HG13 VAL 21 3.113 -6.293 7.376 153 HG21 VAL 21 HG21 VAL 21 2.533 -2.539 6.579 154 HG22 VAL 21 HG22 VAL 21 4.237 -2.982 6.684 155 HG23 VAL 21 HG23 VAL 21 3.458 -2.149 8.030 156 H LEU 22 H LEU 22 1.610 -4.680 10.767 157 HA LEU 22 HA LEU 22 1.560 -7.509 10.728 158 HB2 LEU 22 HB2 LEU 22 1.238 -5.441 12.874 159 HB3 LEU 22 HB3 LEU 22 1.005 -7.135 13.231 160 HG LEU 22 HG LEU 22 3.545 -6.003 12.065 161 HD11 LEU 22 HD11 LEU 22 4.501 -6.113 14.246 162 HD12 LEU 22 HD12 LEU 22 3.036 -6.833 14.913 163 HD13 LEU 22 HD13 LEU 22 3.022 -5.159 14.357 164 HD21 LEU 22 HD21 LEU 22 2.583 -8.705 12.769 165 HD22 LEU 22 HD22 LEU 22 4.238 -8.311 13.235 166 HD23 LEU 22 HD23 LEU 22 3.746 -8.195 11.546 167 H ASP 23 H ASP 23 -0.934 -5.067 11.379 168 HA ASP 23 HA ASP 23 -3.003 -6.575 12.311 169 HB2 ASP 23 HB2 ASP 23 -2.889 -4.051 11.699 170 HB3 ASP 23 HB3 ASP 23 -3.529 -4.567 10.142 171 H ASP 24 H ASP 24 -3.065 -8.663 11.523 172 HA ASP 24 HA ASP 24 -3.391 -9.160 8.693 173 HB2 ASP 24 HB2 ASP 24 -2.963 -10.804 11.122 174 HB3 ASP 24 HB3 ASP 24 -3.842 -11.571 9.803 175 H THR 25 H THR 25 -5.453 -8.360 11.238 176 HA THR 25 HA THR 25 -7.712 -9.942 10.554 177 HB THR 25 HB THR 25 -7.561 -8.975 12.756 178 HG1 THR 25 HG1 THR 25 -9.598 -7.929 12.828 179 HG21 THR 25 HG21 THR 25 -6.354 -6.996 12.575 180 HG22 THR 25 HG22 THR 25 -7.987 -6.470 12.984 181 HG23 THR 25 HG23 THR 25 -7.414 -6.355 11.320 182 H LYS 26 H LYS 26 -6.242 -7.341 8.988 183 HA LYS 26 HA LYS 26 -8.591 -7.018 7.274 184 HB2 LYS 26 HB2 LYS 26 -7.204 -4.880 8.819 185 HB3 LYS 26 HB3 LYS 26 -7.751 -4.492 7.193 186 HG2 LYS 26 HG2 LYS 26 -10.023 -5.062 7.778 187 HG3 LYS 26 HG3 LYS 26 -9.507 -5.584 9.383 188 HD2 LYS 26 HD2 LYS 26 -8.578 -2.912 8.867 189 HD3 LYS 26 HD3 LYS 26 -10.317 -3.012 8.587 190 HE2 LYS 26 HE2 LYS 26 -9.217 -4.285 11.037 191 HE3 LYS 26 HE3 LYS 26 -9.308 -2.525 10.988 192 HZ1 LYS 26 HZ1 LYS 26 -11.476 -4.500 10.977 193 HZ2 LYS 26 HZ2 LYS 26 -11.725 -3.028 10.183 194 HZ3 LYS 26 HZ3 LYS 26 -11.349 -3.045 11.832 195 H ASP 27 H ASP 27 -8.010 -5.893 5.201 196 HA ASP 27 HA ASP 27 -5.588 -7.066 4.158 197 HB2 ASP 27 HB2 ASP 27 -8.053 -5.900 3.057 198 HB3 ASP 27 HB3 ASP 27 -6.610 -5.559 2.108 199 H VAL 28 H VAL 28 -3.681 -6.073 3.964 200 HA VAL 28 HA VAL 28 -3.628 -3.138 4.217 201 HB VAL 28 HB VAL 28 -1.487 -5.120 5.005 202 HG11 VAL 28 HG11 VAL 28 -1.573 -2.122 4.989 203 HG12 VAL 28 HG12 VAL 28 -0.323 -3.200 4.369 204 HG13 VAL 28 HG13 VAL 28 -0.533 -3.002 6.108 205 HG21 VAL 28 HG21 VAL 28 -3.273 -5.232 6.577 206 HG22 VAL 28 HG22 VAL 28 -3.417 -3.475 6.626 207 HG23 VAL 28 HG23 VAL 28 -1.993 -4.261 7.306 208 H LEU 29 H LEU 29 -2.364 -1.942 2.861 209 HA LEU 29 HA LEU 29 -0.912 -3.342 0.727 210 HB2 LEU 29 HB2 LEU 29 -3.384 -2.237 0.305 211 HB3 LEU 29 HB3 LEU 29 -2.327 -0.909 -0.125 212 HG LEU 29 HG LEU 29 -2.453 -3.641 -1.388 213 HD11 LEU 29 HD11 LEU 29 -2.958 -2.382 -3.402 214 HD12 LEU 29 HD12 LEU 29 -2.826 -0.869 -2.506 215 HD13 LEU 29 HD13 LEU 29 -4.116 -2.010 -2.125 216 HD21 LEU 29 HD21 LEU 29 -0.097 -2.362 -0.989 217 HD22 LEU 29 HD22 LEU 29 -0.606 -1.654 -2.520 218 HD23 LEU 29 HD23 LEU 29 -0.442 -3.403 -2.369 219 H ILE 30 H ILE 30 1.105 -2.731 1.432 220 HA ILE 30 HA ILE 30 1.568 0.166 1.713 221 HB ILE 30 HB ILE 30 2.067 -1.076 3.762 222 HG12 ILE 30 HG12 ILE 30 4.464 0.013 2.273 223 HG13 ILE 30 HG13 ILE 30 3.385 0.899 3.344 224 HG21 ILE 30 HG21 ILE 30 4.084 -2.572 2.092 225 HG22 ILE 30 HG22 ILE 30 2.586 -3.237 2.742 226 HG23 ILE 30 HG23 ILE 30 3.868 -2.717 3.836 227 HD11 ILE 30 HD11 ILE 30 5.023 0.567 4.832 228 HD12 ILE 30 HD12 ILE 30 5.674 -0.824 3.964 229 HD13 ILE 30 HD13 ILE 30 4.273 -1.019 5.017 230 H GLU 31 H GLU 31 3.065 1.156 0.469 231 HA GLU 31 HA GLU 31 4.659 -0.562 -1.318 232 HB2 GLU 31 HB2 GLU 31 4.455 1.553 -2.898 233 HB3 GLU 31 HB3 GLU 31 3.255 0.271 -2.909 234 HG2 GLU 31 HG2 GLU 31 1.841 2.005 -2.789 235 HG3 GLU 31 HG3 GLU 31 2.158 1.860 -1.063 236 H PHE 32 H PHE 32 6.744 0.011 -1.689 237 HA PHE 32 HA PHE 32 7.790 2.137 0.040 238 HB2 PHE 32 HB2 PHE 32 9.553 0.080 -1.236 239 HB3 PHE 32 HB3 PHE 32 9.753 0.926 0.293 240 HD1 PHE 32 HD1 PHE 32 7.605 -1.625 -1.367 241 HD2 PHE 32 HD2 PHE 32 9.213 -0.135 2.280 242 HE1 PHE 32 HE1 PHE 32 6.664 -3.553 -0.172 243 HE2 PHE 32 HE2 PHE 32 8.277 -2.068 3.480 244 HZ PHE 32 HZ PHE 32 6.995 -3.777 2.256 245 H TYR 33 H TYR 33 8.936 3.819 -0.765 246 HA TYR 33 HA TYR 33 9.983 3.769 -3.454 247 HB2 TYR 33 HB2 TYR 33 8.678 5.690 -4.250 248 HB3 TYR 33 HB3 TYR 33 7.638 4.317 -3.888 249 HD1 TYR 33 HD2 TYR 33 6.755 4.331 -1.343 250 HD2 TYR 33 HD1 TYR 33 7.948 7.759 -3.562 251 HE1 TYR 33 HE2 TYR 33 5.389 5.751 0.128 252 HE2 TYR 33 HE1 TYR 33 6.586 9.189 -2.097 253 HH TYR 33 HH TYR 33 5.661 9.107 0.215 254 H ALA 34 H ALA 34 10.974 5.939 -4.019 255 HA ALA 34 HA ALA 34 12.120 7.122 -1.576 256 HB1 ALA 34 HB1 ALA 34 13.312 6.309 -4.154 257 HB2 ALA 34 HB2 ALA 34 13.997 6.293 -2.529 258 HB3 ALA 34 HB3 ALA 34 13.923 7.801 -3.440 259 HA PRO 35 HA PRO 35 10.300 10.963 -2.845 260 HB2 PRO 35 HB2 PRO 35 11.747 12.666 -1.326 261 HB3 PRO 35 HB3 PRO 35 10.519 11.594 -0.642 262 HG2 PRO 35 HG2 PRO 35 13.494 11.262 -0.716 263 HG3 PRO 35 HG3 PRO 35 12.367 10.956 0.619 264 HD2 PRO 35 HD2 PRO 35 13.356 8.981 -0.966 265 HD3 PRO 35 HD3 PRO 35 11.755 8.898 -0.206 266 H TRP 36 H TRP 36 13.469 10.038 -3.563 267 HA TRP 36 HA TRP 36 14.012 12.512 -5.045 268 HB2 TRP 36 HB2 TRP 36 16.317 11.284 -5.345 269 HB3 TRP 36 HB3 TRP 36 15.935 12.104 -3.835 270 HD1 TRP 36 HD1 TRP 36 15.247 10.502 -1.728 271 HE1 TRP 36 HE1 TRP 36 15.935 8.080 -1.189 272 HE3 TRP 36 HE3 TRP 36 16.885 9.076 -6.357 273 HZ2 TRP 36 HZ2 TRP 36 17.028 5.860 -2.549 274 HZ3 TRP 36 HZ3 TRP 36 17.736 6.787 -6.653 275 HH2 TRP 36 HH2 TRP 36 17.806 5.213 -4.788 276 H CYS 37 H CYS 37 13.182 9.188 -5.437 277 HA CYS 37 HA CYS 37 14.106 8.875 -8.113 278 HB2 CYS 37 HB2 CYS 37 13.664 6.948 -6.658 279 HB3 CYS 37 HB3 CYS 37 11.955 7.367 -6.612 280 HG CYS 37 HG CYS 37 11.919 5.699 -8.447 281 H GLY 38 H GLY 38 13.048 9.132 -10.044 282 HA2 GLY 38 HA2 GLY 38 10.834 10.991 -10.034 283 HA3 GLY 38 HA3 GLY 38 11.688 10.390 -11.446 284 H HIS 39 H HIS 39 11.358 7.669 -11.190 285 HA HIS 39 HA HIS 39 8.853 7.241 -12.315 286 HB2 HIS 39 HB2 HIS 39 10.892 5.728 -12.424 287 HB3 HIS 39 HB3 HIS 39 10.422 5.129 -10.836 288 HD1 HIS 39 HD1 HIS 39 9.774 2.784 -11.502 289 HD2 HIS 39 HD2 HIS 39 7.848 5.693 -13.758 290 HE1 HIS 39 HE1 HIS 39 8.032 1.555 -12.836 291 HE2 HIS 39 HE2 HIS 39 6.935 3.325 -14.255 292 H CYS 40 H CYS 40 9.812 7.361 -8.985 293 HA CYS 40 HA CYS 40 7.505 6.017 -7.949 294 HB2 CYS 40 HB2 CYS 40 9.529 7.819 -6.606 295 HB3 CYS 40 HB3 CYS 40 8.286 6.905 -5.759 296 HG CYS 40 HG CYS 40 9.536 4.717 -6.752 297 H LYS 41 H LYS 41 8.334 9.313 -8.753 298 HA LYS 41 HA LYS 41 6.337 10.649 -7.306 299 HB2 LYS 41 HB2 LYS 41 7.953 11.282 -9.736 300 HB3 LYS 41 HB3 LYS 41 6.583 12.312 -9.347 301 HG2 LYS 41 HG2 LYS 41 8.281 11.789 -7.046 302 HG3 LYS 41 HG3 LYS 41 9.141 12.570 -8.374 303 HD2 LYS 41 HD2 LYS 41 6.518 13.737 -7.903 304 HD3 LYS 41 HD3 LYS 41 7.562 13.824 -6.483 305 HE2 LYS 41 HE2 LYS 41 7.673 15.774 -8.107 306 HE3 LYS 41 HE3 LYS 41 9.207 15.045 -7.634 307 HZ1 LYS 41 HZ1 LYS 41 9.487 14.087 -9.691 308 HZ2 LYS 41 HZ2 LYS 41 8.744 15.547 -10.111 309 HZ3 LYS 41 HZ3 LYS 41 7.838 14.119 -10.070 310 H ALA 42 H ALA 42 6.317 9.252 -10.561 311 HA ALA 42 HA ALA 42 3.705 10.112 -11.240 312 HB1 ALA 42 HB1 ALA 42 5.609 9.218 -12.753 313 HB2 ALA 42 HB2 ALA 42 3.935 8.859 -13.174 314 HB3 ALA 42 HB3 ALA 42 4.927 7.634 -12.385 315 H LEU 43 H LEU 43 4.965 7.236 -9.656 316 HA LEU 43 HA LEU 43 2.468 5.833 -9.660 317 HB2 LEU 43 HB2 LEU 43 4.702 4.735 -9.562 318 HB3 LEU 43 HB3 LEU 43 4.907 5.371 -7.943 319 HG LEU 43 HG LEU 43 4.128 2.913 -8.281 320 HD11 LEU 43 HD11 LEU 43 2.360 3.570 -6.285 321 HD12 LEU 43 HD12 LEU 43 3.489 4.924 -6.280 322 HD13 LEU 43 HD13 LEU 43 4.087 3.278 -6.086 323 HD21 LEU 43 HD21 LEU 43 1.750 2.586 -8.410 324 HD22 LEU 43 HD22 LEU 43 2.275 3.509 -9.818 325 HD23 LEU 43 HD23 LEU 43 1.472 4.326 -8.478 326 H ALA 44 H ALA 44 3.663 8.421 -7.857 327 HA ALA 44 HA ALA 44 2.586 7.880 -5.309 328 HB1 ALA 44 HB1 ALA 44 2.648 10.699 -6.114 329 HB2 ALA 44 HB2 ALA 44 4.167 9.832 -6.340 330 HB3 ALA 44 HB3 ALA 44 3.412 9.888 -4.747 331 HA PRO 45 HA PRO 45 -1.221 10.584 -6.709 332 HB2 PRO 45 HB2 PRO 45 -1.599 10.683 -9.434 333 HB3 PRO 45 HB3 PRO 45 -0.821 11.953 -8.485 334 HG2 PRO 45 HG2 PRO 45 0.417 9.771 -10.111 335 HG3 PRO 45 HG3 PRO 45 0.899 11.472 -9.963 336 HD2 PRO 45 HD2 PRO 45 2.202 9.522 -8.663 337 HD3 PRO 45 HD3 PRO 45 1.964 11.124 -7.936 338 H LYS 46 H LYS 46 -0.285 7.924 -8.873 339 HA LYS 46 HA LYS 46 -2.879 6.929 -9.322 340 HB2 LYS 46 HB2 LYS 46 -0.281 5.381 -9.295 341 HB3 LYS 46 HB3 LYS 46 -1.780 4.883 -10.068 342 HG2 LYS 46 HG2 LYS 46 -0.286 7.381 -10.822 343 HG3 LYS 46 HG3 LYS 46 -0.027 5.816 -11.596 344 HD2 LYS 46 HD2 LYS 46 -2.832 6.361 -11.507 345 HD3 LYS 46 HD3 LYS 46 -1.996 7.758 -12.187 346 HE2 LYS 46 HE2 LYS 46 -1.038 6.467 -13.915 347 HE3 LYS 46 HE3 LYS 46 -1.464 4.951 -13.122 348 HZ1 LYS 46 HZ1 LYS 46 -3.562 5.032 -13.899 349 HZ2 LYS 46 HZ2 LYS 46 -2.880 6.011 -15.098 350 HZ3 LYS 46 HZ3 LYS 46 -3.677 6.717 -13.784 351 H TYR 47 H TYR 47 -0.370 5.716 -7.090 352 HA TYR 47 HA TYR 47 -2.016 3.834 -5.819 353 HB2 TYR 47 HB2 TYR 47 0.544 4.076 -5.725 354 HB3 TYR 47 HB3 TYR 47 0.258 5.242 -4.437 355 HD1 TYR 47 HD1 TYR 47 -0.283 1.711 -5.426 356 HD2 TYR 47 HD2 TYR 47 -0.205 4.527 -2.238 357 HE1 TYR 47 HE1 TYR 47 -0.437 -0.131 -3.803 358 HE2 TYR 47 HE2 TYR 47 -0.357 2.694 -0.607 359 HH TYR 47 HH TYR 47 0.377 -0.032 -0.829 360 H GLU 48 H GLU 48 -1.716 7.263 -5.430 361 HA GLU 48 HA GLU 48 -2.853 7.434 -2.826 362 HB2 GLU 48 HB2 GLU 48 -1.481 9.236 -3.779 363 HB3 GLU 48 HB3 GLU 48 -2.700 9.515 -5.015 364 HG2 GLU 48 HG2 GLU 48 -4.237 9.804 -2.862 365 HG3 GLU 48 HG3 GLU 48 -2.687 10.258 -2.154 366 H GLU 49 H GLU 49 -4.158 7.653 -6.107 367 HA GLU 49 HA GLU 49 -6.776 8.393 -5.399 368 HB2 GLU 49 HB2 GLU 49 -5.595 8.294 -7.729 369 HB3 GLU 49 HB3 GLU 49 -6.212 6.649 -7.771 370 HG2 GLU 49 HG2 GLU 49 -8.152 8.755 -7.065 371 HG3 GLU 49 HG3 GLU 49 -7.550 8.760 -8.722 372 H LEU 50 H LEU 50 -5.631 5.172 -6.434 373 HA LEU 50 HA LEU 50 -7.924 3.763 -5.719 374 HB2 LEU 50 HB2 LEU 50 -6.163 2.834 -7.135 375 HB3 LEU 50 HB3 LEU 50 -5.062 2.807 -5.772 376 HG LEU 50 HG LEU 50 -6.159 0.600 -6.469 377 HD11 LEU 50 HD11 LEU 50 -6.772 0.961 -3.621 378 HD12 LEU 50 HD12 LEU 50 -5.157 1.474 -4.112 379 HD13 LEU 50 HD13 LEU 50 -5.689 -0.179 -4.419 380 HD21 LEU 50 HD21 LEU 50 -8.367 0.195 -5.407 381 HD22 LEU 50 HD22 LEU 50 -8.427 1.336 -6.750 382 HD23 LEU 50 HD23 LEU 50 -8.489 1.926 -5.090 383 H GLY 51 H GLY 51 -5.228 4.839 -3.777 384 HA2 GLY 51 HA2 GLY 51 -5.459 3.215 -1.543 385 HA3 GLY 51 HA3 GLY 51 -4.940 4.893 -1.504 386 H ALA 52 H ALA 52 -6.840 6.495 -1.742 387 HA ALA 52 HA ALA 52 -8.574 6.075 0.459 388 HB1 ALA 52 HB1 ALA 52 -8.788 8.182 -1.686 389 HB2 ALA 52 HB2 ALA 52 -7.782 8.304 -0.242 390 HB3 ALA 52 HB3 ALA 52 -9.538 8.217 -0.089 391 H LEU 53 H LEU 53 -8.827 5.384 -2.926 392 HA LEU 53 HA LEU 53 -11.504 5.469 -3.457 393 HB2 LEU 53 HB2 LEU 53 -9.299 3.672 -4.304 394 HB3 LEU 53 HB3 LEU 53 -10.927 3.141 -4.663 395 HG LEU 53 HG LEU 53 -9.514 5.598 -5.673 396 HD11 LEU 53 HD11 LEU 53 -9.044 4.171 -7.318 397 HD12 LEU 53 HD12 LEU 53 -10.748 4.286 -7.754 398 HD13 LEU 53 HD13 LEU 53 -10.190 2.970 -6.720 399 HD21 LEU 53 HD21 LEU 53 -11.520 6.610 -5.451 400 HD22 LEU 53 HD22 LEU 53 -12.405 5.087 -5.368 401 HD23 LEU 53 HD23 LEU 53 -11.876 5.716 -6.928 402 H TYR 54 H TYR 54 -9.947 2.438 -2.397 403 HA TYR 54 HA TYR 54 -12.492 1.475 -1.390 404 HB2 TYR 54 HB2 TYR 54 -9.753 0.204 -1.502 405 HB3 TYR 54 HB3 TYR 54 -11.177 -0.595 -0.847 406 HD1 TYR 54 HD2 TYR 54 -13.118 0.566 -2.972 407 HD2 TYR 54 HD1 TYR 54 -9.344 -1.382 -3.241 408 HE1 TYR 54 HE2 TYR 54 -13.698 -0.236 -5.221 409 HE2 TYR 54 HE1 TYR 54 -9.916 -2.190 -5.489 410 HH TYR 54 HH TYR 54 -11.394 -1.646 -7.322 411 H ALA 55 H ALA 55 -9.467 2.671 -0.105 412 HA ALA 55 HA ALA 55 -9.520 1.807 2.484 413 HB1 ALA 55 HB1 ALA 55 -7.693 3.120 1.672 414 HB2 ALA 55 HB2 ALA 55 -8.375 3.924 3.085 415 HB3 ALA 55 HB3 ALA 55 -8.734 4.526 1.469 416 H LYS 56 H LYS 56 -11.657 4.175 1.022 417 HA LYS 56 HA LYS 56 -13.021 4.386 3.617 418 HB2 LYS 56 HB2 LYS 56 -13.666 6.722 2.904 419 HB3 LYS 56 HB3 LYS 56 -11.990 6.483 3.350 420 HG2 LYS 56 HG2 LYS 56 -11.233 6.815 1.232 421 HG3 LYS 56 HG3 LYS 56 -12.724 6.226 0.491 422 HD2 LYS 56 HD2 LYS 56 -13.834 8.317 1.404 423 HD3 LYS 56 HD3 LYS 56 -12.209 8.905 1.763 424 HE2 LYS 56 HE2 LYS 56 -11.972 8.074 -0.836 425 HE3 LYS 56 HE3 LYS 56 -13.619 8.703 -0.792 426 HZ1 LYS 56 HZ1 LYS 56 -12.698 10.761 0.194 427 HZ2 LYS 56 HZ2 LYS 56 -12.142 10.464 -1.376 428 HZ3 LYS 56 HZ3 LYS 56 -11.138 10.153 -0.051 429 H SER 57 H SER 57 -13.363 4.096 0.130 430 HA SER 57 HA SER 57 -16.194 4.536 0.207 431 HB2 SER 57 HB2 SER 57 -14.593 3.304 -2.037 432 HB3 SER 57 HB3 SER 57 -16.193 4.040 -2.147 433 HG SER 57 HG SER 57 -15.281 5.920 -2.295 434 H GLU 58 H GLU 58 -14.295 1.601 -0.603 435 HA GLU 58 HA GLU 58 -16.700 0.006 -0.146 436 HB2 GLU 58 HB2 GLU 58 -14.063 -0.585 -1.461 437 HB3 GLU 58 HB3 GLU 58 -15.223 -1.853 -1.090 438 HG2 GLU 58 HG2 GLU 58 -16.908 -0.567 -2.430 439 HG3 GLU 58 HG3 GLU 58 -15.589 0.486 -2.939 440 H PHE 59 H PHE 59 -13.250 -0.319 0.687 441 HA PHE 59 HA PHE 59 -14.012 -1.971 2.978 442 HB2 PHE 59 HB2 PHE 59 -11.516 -1.624 1.375 443 HB3 PHE 59 HB3 PHE 59 -11.378 -2.181 3.038 444 HD1 PHE 59 HD2 PHE 59 -14.009 -2.944 0.532 445 HD2 PHE 59 HD1 PHE 59 -10.751 -4.406 2.845 446 HE1 PHE 59 HE2 PHE 59 -14.525 -5.237 -0.198 447 HE2 PHE 59 HE1 PHE 59 -11.260 -6.701 2.119 448 HZ PHE 59 HZ PHE 59 -13.150 -7.119 0.596 449 H LYS 60 H LYS 60 -14.581 0.750 3.145 450 HA LYS 60 HA LYS 60 -12.849 2.498 4.242 451 HB2 LYS 60 HB2 LYS 60 -14.772 3.353 5.592 452 HB3 LYS 60 HB3 LYS 60 -15.108 3.108 3.883 453 HG2 LYS 60 HG2 LYS 60 -16.252 1.035 4.365 454 HG3 LYS 60 HG3 LYS 60 -15.865 1.198 6.081 455 HD2 LYS 60 HD2 LYS 60 -17.499 2.708 6.432 456 HD3 LYS 60 HD3 LYS 60 -17.214 3.522 4.892 457 HE2 LYS 60 HE2 LYS 60 -18.240 1.188 4.018 458 HE3 LYS 60 HE3 LYS 60 -19.064 1.325 5.571 459 HZ1 LYS 60 HZ1 LYS 60 -20.008 2.421 3.379 460 HZ2 LYS 60 HZ2 LYS 60 -19.011 3.697 3.869 461 HZ3 LYS 60 HZ3 LYS 60 -20.228 3.132 4.899 462 H ASP 61 H ASP 61 -14.435 -0.144 6.003 463 HA ASP 61 HA ASP 61 -12.525 0.309 8.203 464 HB2 ASP 61 HB2 ASP 61 -15.225 0.477 8.426 465 HB3 ASP 61 HB3 ASP 61 -14.978 -1.227 8.797 466 H ARG 62 H ARG 62 -11.961 -1.281 5.898 467 HA ARG 62 HA ARG 62 -11.520 -3.839 7.237 468 HB2 ARG 62 HB2 ARG 62 -13.319 -3.429 5.000 469 HB3 ARG 62 HB3 ARG 62 -12.060 -4.593 4.612 470 HG2 ARG 62 HG2 ARG 62 -13.854 -5.842 5.469 471 HG3 ARG 62 HG3 ARG 62 -12.659 -5.768 6.766 472 HD2 ARG 62 HD2 ARG 62 -14.133 -4.814 8.126 473 HD3 ARG 62 HD3 ARG 62 -14.425 -3.522 6.962 474 HE ARG 62 HE ARG 62 -15.893 -5.565 5.982 475 HH11 ARG 62 HH11 ARG 62 -15.693 -4.086 9.137 476 HH12 ARG 62 HH12 ARG 62 -17.343 -4.424 9.537 477 HH21 ARG 62 HH21 ARG 62 -18.063 -6.011 6.508 478 HH22 ARG 62 HH22 ARG 62 -18.689 -5.516 8.045 479 H VAL 63 H VAL 63 -10.617 -1.550 4.737 480 HA VAL 63 HA VAL 63 -8.106 -3.050 4.373 481 HB VAL 63 HB VAL 63 -9.615 -2.801 2.340 482 HG11 VAL 63 HG11 VAL 63 -8.560 0.021 2.329 483 HG12 VAL 63 HG12 VAL 63 -10.199 -0.412 2.815 484 HG13 VAL 63 HG13 VAL 63 -9.656 -0.723 1.166 485 HG21 VAL 63 HG21 VAL 63 -7.740 -2.428 0.839 486 HG22 VAL 63 HG22 VAL 63 -7.243 -3.411 2.216 487 HG23 VAL 63 HG23 VAL 63 -6.813 -1.702 2.152 488 H VAL 64 H VAL 64 -6.168 -1.851 4.097 489 HA VAL 64 HA VAL 64 -6.220 0.970 4.853 490 HB VAL 64 HB VAL 64 -4.436 -0.998 6.289 491 HG11 VAL 64 HG11 VAL 64 -3.316 0.989 6.445 492 HG12 VAL 64 HG12 VAL 64 -4.385 1.134 7.840 493 HG13 VAL 64 HG13 VAL 64 -4.788 1.954 6.332 494 HG21 VAL 64 HG21 VAL 64 -7.150 0.023 6.937 495 HG22 VAL 64 HG22 VAL 64 -5.988 -0.141 8.254 496 HG23 VAL 64 HG23 VAL 64 -6.419 -1.545 7.278 497 H ILE 65 H ILE 65 -5.275 1.798 3.081 498 HA ILE 65 HA ILE 65 -2.848 0.497 2.044 499 HB ILE 65 HB ILE 65 -4.545 2.578 0.665 500 HG12 ILE 65 HG12 ILE 65 -4.542 -0.432 0.343 501 HG13 ILE 65 HG13 ILE 65 -5.842 0.532 1.036 502 HG21 ILE 65 HG21 ILE 65 -1.968 1.770 0.135 503 HG22 ILE 65 HG22 ILE 65 -3.067 2.544 -1.006 504 HG23 ILE 65 HG23 ILE 65 -2.933 0.787 -0.966 505 HD11 ILE 65 HD11 ILE 65 -6.013 -0.273 -1.409 506 HD12 ILE 65 HD12 ILE 65 -4.908 1.058 -1.748 507 HD13 ILE 65 HD13 ILE 65 -6.477 1.381 -1.011 508 H ALA 66 H ALA 66 -0.993 1.379 2.673 509 HA ALA 66 HA ALA 66 -0.875 4.304 2.996 510 HB1 ALA 66 HB1 ALA 66 -0.625 3.829 5.182 511 HB2 ALA 66 HB2 ALA 66 1.039 3.493 4.711 512 HB3 ALA 66 HB3 ALA 66 -0.115 2.170 4.873 513 H LYS 67 H LYS 67 1.262 5.235 2.753 514 HA LYS 67 HA LYS 67 2.999 3.667 0.963 515 HB2 LYS 67 HB2 LYS 67 2.713 6.662 0.821 516 HB3 LYS 67 HB3 LYS 67 3.402 5.574 -0.376 517 HG2 LYS 67 HG2 LYS 67 1.163 4.648 -0.794 518 HG3 LYS 67 HG3 LYS 67 0.492 5.797 0.365 519 HD2 LYS 67 HD2 LYS 67 2.102 6.673 -2.019 520 HD3 LYS 67 HD3 LYS 67 0.356 6.428 -2.099 521 HE2 LYS 67 HE2 LYS 67 0.021 8.447 -1.240 522 HE3 LYS 67 HE3 LYS 67 0.933 7.999 0.201 523 HZ1 LYS 67 HZ1 LYS 67 2.359 8.807 -2.245 524 HZ2 LYS 67 HZ2 LYS 67 2.862 8.906 -0.633 525 HZ3 LYS 67 HZ3 LYS 67 1.706 9.989 -1.224 526 H VAL 68 H VAL 68 5.014 3.412 1.682 527 HA VAL 68 HA VAL 68 6.033 5.340 3.660 528 HB VAL 68 HB VAL 68 5.496 3.200 4.733 529 HG11 VAL 68 HG11 VAL 68 6.894 1.207 4.168 530 HG12 VAL 68 HG12 VAL 68 7.439 2.068 2.729 531 HG13 VAL 68 HG13 VAL 68 5.734 1.663 2.921 532 HG21 VAL 68 HG21 VAL 68 8.436 3.091 4.760 533 HG22 VAL 68 HG22 VAL 68 7.294 3.304 6.087 534 HG23 VAL 68 HG23 VAL 68 7.733 4.678 5.072 535 H ASP 69 H ASP 69 8.162 5.968 3.507 536 HA ASP 69 HA ASP 69 9.478 5.306 0.978 537 HB2 ASP 69 HB2 ASP 69 10.501 7.439 2.803 538 HB3 ASP 69 HB3 ASP 69 10.511 7.370 1.047 539 H ALA 70 H ALA 70 11.562 4.499 0.891 540 HA ALA 70 HA ALA 70 12.416 3.037 3.213 541 HB1 ALA 70 HB1 ALA 70 12.865 1.750 1.408 542 HB2 ALA 70 HB2 ALA 70 14.408 2.599 1.487 543 HB3 ALA 70 HB3 ALA 70 13.164 3.135 0.358 544 H THR 71 H THR 71 12.814 6.191 2.425 545 HA THR 71 HA THR 71 15.484 6.314 3.662 546 HB THR 71 HB THR 71 15.505 7.119 1.358 547 HG1 THR 71 HG1 THR 71 16.409 9.134 1.791 548 HG21 THR 71 HG21 THR 71 13.437 7.912 0.771 549 HG22 THR 71 HG22 THR 71 14.329 9.411 1.030 550 HG23 THR 71 HG23 THR 71 13.233 8.810 2.274 551 H ALA 72 H ALA 72 12.989 6.206 5.163 552 HA ALA 72 HA ALA 72 13.466 8.295 6.976 553 HB1 ALA 72 HB1 ALA 72 12.046 9.966 6.476 554 HB2 ALA 72 HB2 ALA 72 10.818 8.876 5.830 555 HB3 ALA 72 HB3 ALA 72 12.204 9.330 4.838 556 H ASN 73 H ASN 73 13.141 5.630 7.409 557 HA ASN 73 HA ASN 73 11.428 5.473 9.536 558 HB2 ASN 73 HB2 ASN 73 9.633 3.915 8.459 559 HB3 ASN 73 HB3 ASN 73 9.440 5.661 8.360 560 HD21 ASN 73 HD21 ASN 73 9.402 6.625 6.418 561 HD22 ASN 73 HD22 ASN 73 9.551 5.793 4.911 562 H ASP 74 H ASP 74 10.657 3.011 9.875 563 HA ASP 74 HA ASP 74 12.974 1.524 10.217 564 HB2 ASP 74 HB2 ASP 74 10.707 1.226 11.354 565 HB3 ASP 74 HB3 ASP 74 10.236 0.291 9.938 566 H VAL 75 H VAL 75 10.359 0.816 7.892 567 HA VAL 75 HA VAL 75 10.340 -0.502 6.021 568 HB VAL 75 HB VAL 75 11.173 1.589 5.110 569 HG11 VAL 75 HG11 VAL 75 13.653 1.830 4.721 570 HG12 VAL 75 HG12 VAL 75 13.877 0.523 5.883 571 HG13 VAL 75 HG13 VAL 75 13.112 2.029 6.388 572 HG21 VAL 75 HG21 VAL 75 11.262 -0.806 3.873 573 HG22 VAL 75 HG22 VAL 75 12.934 -0.283 3.670 574 HG23 VAL 75 HG23 VAL 75 11.616 0.726 3.075 575 HA PRO 76 HA PRO 76 13.685 -3.381 7.768 576 HB2 PRO 76 HB2 PRO 76 11.918 -5.378 8.417 577 HB3 PRO 76 HB3 PRO 76 12.461 -4.132 9.545 578 HG2 PRO 76 HG2 PRO 76 9.934 -4.274 7.949 579 HG3 PRO 76 HG3 PRO 76 10.169 -3.769 9.633 580 HD2 PRO 76 HD2 PRO 76 9.845 -1.981 7.652 581 HD3 PRO 76 HD3 PRO 76 10.922 -1.664 9.028 582 H ASP 77 H ASP 77 10.841 -3.861 5.735 583 HA ASP 77 HA ASP 77 11.551 -6.262 4.513 584 HB2 ASP 77 HB2 ASP 77 10.111 -3.962 3.180 585 HB3 ASP 77 HB3 ASP 77 10.009 -5.668 2.753 586 H GLU 78 H GLU 78 12.812 -6.819 2.794 587 HA GLU 78 HA GLU 78 14.871 -4.932 2.040 588 HB2 GLU 78 HB2 GLU 78 15.781 -6.907 0.760 589 HB3 GLU 78 HB3 GLU 78 15.634 -7.140 2.496 590 HG2 GLU 78 HG2 GLU 78 13.730 -8.511 2.249 591 HG3 GLU 78 HG3 GLU 78 13.539 -8.063 0.555 592 H ILE 79 H ILE 79 15.294 -4.182 -0.031 593 HA ILE 79 HA ILE 79 13.339 -4.786 -2.131 594 HB ILE 79 HB ILE 79 14.136 -1.935 -1.634 595 HG12 ILE 79 HG12 ILE 79 13.009 -2.830 0.418 596 HG13 ILE 79 HG13 ILE 79 12.131 -1.526 -0.377 597 HG21 ILE 79 HG21 ILE 79 13.172 -1.858 -3.654 598 HG22 ILE 79 HG22 ILE 79 11.667 -1.905 -2.735 599 HG23 ILE 79 HG23 ILE 79 12.326 -3.389 -3.425 600 HD11 ILE 79 HD11 ILE 79 11.226 -4.122 0.302 601 HD12 ILE 79 HD12 ILE 79 11.202 -3.971 -1.455 602 HD13 ILE 79 HD13 ILE 79 10.335 -2.803 -0.458 603 H GLN 80 H GLN 80 14.095 -4.523 -4.233 604 HA GLN 80 HA GLN 80 16.956 -4.591 -4.563 605 HB2 GLN 80 HB2 GLN 80 14.606 -4.721 -6.450 606 HB3 GLN 80 HB3 GLN 80 16.254 -4.603 -7.055 607 HG2 GLN 80 HG2 GLN 80 16.799 -6.717 -6.396 608 HG3 GLN 80 HG3 GLN 80 15.637 -6.722 -5.070 609 HE21 GLN 80 HE22 GLN 80 13.823 -7.813 -5.354 610 HE22 GLN 80 HE32 GLN 80 13.198 -8.361 -6.868 611 H GLY 81 H GLY 81 14.296 -2.464 -5.387 612 HA2 GLY 81 HA2 GLY 81 16.175 -0.200 -5.600 613 HA3 GLY 81 HA3 GLY 81 14.853 -0.400 -6.753 614 H PHE 82 H PHE 82 12.737 -0.034 -6.106 615 HA PHE 82 HA PHE 82 11.963 0.359 -3.445 616 HB2 PHE 82 HB2 PHE 82 11.676 2.902 -4.947 617 HB3 PHE 82 HB3 PHE 82 11.536 2.556 -3.213 618 HD1 PHE 82 HD2 PHE 82 13.894 3.171 -5.965 619 HD2 PHE 82 HD1 PHE 82 13.455 2.577 -1.774 620 HE1 PHE 82 HE2 PHE 82 16.205 3.942 -5.617 621 HE2 PHE 82 HE1 PHE 82 15.764 3.350 -1.418 622 HZ PHE 82 HZ PHE 82 17.142 4.032 -3.341 623 HA PRO 83 HA PRO 83 8.373 1.891 -6.306 624 HB2 PRO 83 HB2 PRO 83 8.924 0.673 -8.734 625 HB3 PRO 83 HB3 PRO 83 8.837 2.392 -8.375 626 HG2 PRO 83 HG2 PRO 83 11.223 0.637 -8.601 627 HG3 PRO 83 HG3 PRO 83 11.040 2.348 -9.039 628 HD2 PRO 83 HD2 PRO 83 12.311 1.661 -6.814 629 HD3 PRO 83 HD3 PRO 83 11.201 3.052 -6.819 630 H THR 84 H THR 84 8.232 0.317 -4.678 631 HA THR 84 HA THR 84 7.636 -2.396 -5.616 632 HB THR 84 HB THR 84 8.000 -2.795 -3.030 633 HG1 THR 84 HG1 THR 84 8.301 -0.424 -2.809 634 HG21 THR 84 HG21 THR 84 9.459 -3.489 -5.064 635 HG22 THR 84 HG22 THR 84 10.113 -3.561 -3.427 636 HG23 THR 84 HG23 THR 84 10.512 -2.199 -4.478 637 H ILE 85 H ILE 85 5.829 -3.439 -4.861 638 HA ILE 85 HA ILE 85 3.914 -1.926 -3.241 639 HB ILE 85 HB ILE 85 2.956 -3.353 -5.702 640 HG12 ILE 85 HG12 ILE 85 4.648 -1.471 -6.235 641 HG13 ILE 85 HG13 ILE 85 3.087 -1.428 -7.043 642 HG21 ILE 85 HG21 ILE 85 0.979 -2.010 -5.407 643 HG22 ILE 85 HG22 ILE 85 1.745 -1.113 -4.096 644 HG23 ILE 85 HG23 ILE 85 1.370 -2.824 -3.892 645 HD11 ILE 85 HD11 ILE 85 3.972 0.242 -4.708 646 HD12 ILE 85 HD12 ILE 85 2.324 0.207 -5.330 647 HD13 ILE 85 HD13 ILE 85 3.641 0.778 -6.353 648 H LYS 86 H LYS 86 3.708 -3.254 -1.536 649 HA LYS 86 HA LYS 86 3.453 -6.141 -2.045 650 HB2 LYS 86 HB2 LYS 86 4.598 -4.564 0.216 651 HB3 LYS 86 HB3 LYS 86 3.923 -6.153 0.550 652 HG2 LYS 86 HG2 LYS 86 5.495 -6.665 -1.616 653 HG3 LYS 86 HG3 LYS 86 6.413 -5.408 -0.787 654 HD2 LYS 86 HD2 LYS 86 5.327 -7.528 0.944 655 HD3 LYS 86 HD3 LYS 86 6.568 -8.047 -0.200 656 HE2 LYS 86 HE2 LYS 86 6.828 -5.763 1.754 657 HE3 LYS 86 HE3 LYS 86 7.520 -7.371 1.964 658 HZ1 LYS 86 HZ1 LYS 86 9.299 -6.401 1.023 659 HZ2 LYS 86 HZ2 LYS 86 8.397 -5.183 0.272 660 HZ3 LYS 86 HZ3 LYS 86 8.487 -6.721 -0.427 661 H LEU 87 H LEU 87 1.849 -7.338 -1.062 662 HA LEU 87 HA LEU 87 -0.314 -5.818 0.230 663 HB2 LEU 87 HB2 LEU 87 -0.823 -6.422 -2.146 664 HB3 LEU 87 HB3 LEU 87 -0.679 -8.110 -1.701 665 HG LEU 87 HG LEU 87 -3.022 -7.323 -1.868 666 HD11 LEU 87 HD11 LEU 87 -2.484 -8.015 0.991 667 HD12 LEU 87 HD12 LEU 87 -2.153 -9.173 -0.297 668 HD13 LEU 87 HD13 LEU 87 -3.789 -8.556 -0.064 669 HD21 LEU 87 HD21 LEU 87 -2.023 -5.187 -0.258 670 HD22 LEU 87 HD22 LEU 87 -3.321 -6.009 0.606 671 HD23 LEU 87 HD23 LEU 87 -3.606 -5.367 -1.011 672 H TYR 88 H TYR 88 -0.772 -6.542 2.189 673 HA TYR 88 HA TYR 88 0.182 -9.185 2.994 674 HB2 TYR 88 HB2 TYR 88 0.094 -6.662 4.265 675 HB3 TYR 88 HB3 TYR 88 -1.018 -7.704 5.147 676 HD1 TYR 88 HD1 TYR 88 2.453 -7.695 3.772 677 HD2 TYR 88 HD2 TYR 88 -0.180 -9.082 6.812 678 HE1 TYR 88 HE1 TYR 88 4.357 -8.716 4.947 679 HE2 TYR 88 HE2 TYR 88 1.716 -10.106 7.996 680 HH TYR 88 HH TYR 88 4.490 -9.473 7.923 681 HA PRO 89 HA PRO 89 -4.138 -10.438 2.391 682 HB2 PRO 89 HB2 PRO 89 -3.675 -13.094 2.826 683 HB3 PRO 89 HB3 PRO 89 -3.408 -12.297 1.271 684 HG2 PRO 89 HG2 PRO 89 -1.433 -12.990 3.410 685 HG3 PRO 89 HG3 PRO 89 -1.283 -13.154 1.650 686 HD2 PRO 89 HD2 PRO 89 -0.147 -11.117 3.000 687 HD3 PRO 89 HD3 PRO 89 -0.789 -10.915 1.357 688 H ALA 90 H ALA 90 -5.542 -10.114 3.983 689 HA ALA 90 HA ALA 90 -4.951 -10.251 6.713 690 HB1 ALA 90 HB1 ALA 90 -7.032 -9.437 7.032 691 HB2 ALA 90 HB2 ALA 90 -7.776 -10.618 5.953 692 HB3 ALA 90 HB3 ALA 90 -6.973 -9.197 5.286 693 H GLY 91 H GLY 91 -4.786 -11.904 8.076 694 HA2 GLY 91 HA2 GLY 91 -5.550 -13.905 9.092 695 HA3 GLY 91 HA3 GLY 91 -6.341 -14.338 7.584 696 H ALA 92 H ALA 92 -3.910 -13.670 6.022 697 HA ALA 92 HA ALA 92 -2.428 -16.139 6.612 698 HB1 ALA 92 HB1 ALA 92 -3.361 -16.253 4.446 699 HB2 ALA 92 HB2 ALA 92 -1.649 -15.896 4.216 700 HB3 ALA 92 HB3 ALA 92 -2.847 -14.611 4.056 701 H LYS 93 H LYS 93 -1.268 -14.884 8.289 702 HA LYS 93 HA LYS 93 0.474 -12.757 7.532 703 HB2 LYS 93 HB2 LYS 93 1.441 -13.038 9.776 704 HB3 LYS 93 HB3 LYS 93 -0.315 -12.972 9.827 705 HG2 LYS 93 HG2 LYS 93 -0.282 -14.839 11.014 706 HG3 LYS 93 HG3 LYS 93 0.305 -15.681 9.579 707 HD2 LYS 93 HD2 LYS 93 2.597 -14.550 10.517 708 HD3 LYS 93 HD3 LYS 93 1.731 -14.881 12.019 709 HE2 LYS 93 HE2 LYS 93 2.496 -16.833 9.858 710 HE3 LYS 93 HE3 LYS 93 3.064 -16.793 11.527 711 HZ1 LYS 93 HZ1 LYS 93 1.398 -18.511 11.190 712 HZ2 LYS 93 HZ2 LYS 93 0.277 -17.358 10.669 713 HZ3 LYS 93 HZ3 LYS 93 0.832 -17.334 12.266 714 H GLY 94 H GLY 94 1.199 -14.190 5.604 715 HA2 GLY 94 HA2 GLY 94 3.894 -14.703 5.796 716 HA3 GLY 94 HA3 GLY 94 3.118 -16.241 6.140 717 H GLN 95 H GLN 95 1.971 -13.778 3.883 718 HA GLN 95 HA GLN 95 2.932 -15.246 1.589 719 HB2 GLN 95 HB2 GLN 95 0.003 -15.150 2.295 720 HB3 GLN 95 HB3 GLN 95 0.569 -15.442 0.657 721 HG2 GLN 95 HG2 GLN 95 1.138 -17.135 3.078 722 HG3 GLN 95 HG3 GLN 95 0.049 -17.527 1.748 723 HE21 GLN 95 HE22 GLN 95 1.502 -16.835 -0.432 724 HE22 GLN 95 HE32 GLN 95 2.920 -17.816 -0.543 725 HA PRO 96 HA PRO 96 1.981 -10.648 1.065 726 HB2 PRO 96 HB2 PRO 96 4.429 -9.587 1.343 727 HB3 PRO 96 HB3 PRO 96 3.400 -9.920 2.743 728 HG2 PRO 96 HG2 PRO 96 5.685 -11.517 1.650 729 HG3 PRO 96 HG3 PRO 96 5.297 -11.129 3.336 730 HD2 PRO 96 HD2 PRO 96 4.690 -13.520 2.147 731 HD3 PRO 96 HD3 PRO 96 3.777 -12.834 3.505 732 H VAL 97 H VAL 97 1.864 -10.027 -1.003 733 HA VAL 97 HA VAL 97 3.509 -11.329 -2.995 734 HB VAL 97 HB VAL 97 2.151 -10.148 -4.646 735 HG11 VAL 97 HG11 VAL 97 1.351 -12.196 -3.149 736 HG12 VAL 97 HG12 VAL 97 0.326 -11.478 -4.391 737 HG13 VAL 97 HG13 VAL 97 0.101 -11.037 -2.699 738 HG21 VAL 97 HG21 VAL 97 1.101 -8.697 -2.238 739 HG22 VAL 97 HG22 VAL 97 0.178 -8.801 -3.735 740 HG23 VAL 97 HG23 VAL 97 1.762 -8.027 -3.728 741 H THR 98 H THR 98 4.816 -10.236 -4.540 742 HA THR 98 HA THR 98 5.733 -7.569 -3.689 743 HB THR 98 HB THR 98 7.527 -9.719 -4.818 744 HG1 THR 98 HG1 THR 98 7.285 -8.939 -2.106 745 HG21 THR 98 HG21 THR 98 9.125 -8.200 -4.836 746 HG22 THR 98 HG22 THR 98 8.833 -7.829 -3.136 747 HG23 THR 98 HG23 THR 98 7.939 -6.973 -4.392 748 H TYR 99 H TYR 99 5.502 -6.089 -5.216 749 HA TYR 99 HA TYR 99 5.134 -6.945 -7.989 750 HB2 TYR 99 HB2 TYR 99 3.992 -4.898 -6.349 751 HB3 TYR 99 HB3 TYR 99 4.787 -4.135 -7.722 752 HD1 TYR 99 HD1 TYR 99 4.337 -6.261 -9.787 753 HD2 TYR 99 HD2 TYR 99 1.724 -4.602 -6.868 754 HE1 TYR 99 HE1 TYR 99 2.409 -6.811 -11.210 755 HE2 TYR 99 HE2 TYR 99 -0.212 -5.150 -8.282 756 HH TYR 99 HH TYR 99 -0.101 -5.753 -11.399 757 H SER 100 H SER 100 6.468 -6.360 -9.634 758 HA SER 100 HA SER 100 9.024 -5.170 -8.865 759 HB2 SER 100 HB2 SER 100 9.634 -5.926 -11.267 760 HB3 SER 100 HB3 SER 100 9.396 -7.167 -10.036 761 HG SER 100 HG SER 100 7.435 -6.304 -11.899 762 H GLY 101 H GLY 101 6.450 -3.652 -9.360 763 HA2 GLY 101 HA2 GLY 101 6.628 -1.295 -9.969 764 HA3 GLY 101 HA3 GLY 101 7.568 -1.797 -11.366 765 H SER 102 H SER 102 4.432 -1.244 -10.090 766 HA SER 102 HA SER 102 2.900 -2.629 -12.022 767 HB2 SER 102 HB2 SER 102 1.917 -0.105 -10.733 768 HB3 SER 102 HB3 SER 102 1.039 -1.594 -11.083 769 HG SER 102 HG SER 102 2.294 -0.881 -8.832 770 H ARG 103 H ARG 103 1.649 -1.719 -13.764 771 HA ARG 103 HA ARG 103 3.079 0.471 -15.109 772 HB2 ARG 103 HB2 ARG 103 1.898 -2.055 -16.028 773 HB3 ARG 103 HB3 ARG 103 1.505 -0.674 -17.042 774 HG2 ARG 103 HG2 ARG 103 4.337 -0.983 -16.256 775 HG3 ARG 103 HG3 ARG 103 3.684 -2.164 -17.393 776 HD2 ARG 103 HD2 ARG 103 3.039 0.665 -17.936 777 HD3 ARG 103 HD3 ARG 103 4.729 0.203 -18.133 778 HE ARG 103 HE ARG 103 2.549 -0.495 -19.837 779 HH11 ARG 103 HH11 ARG 103 5.638 -1.592 -18.641 780 HH12 ARG 103 HH12 ARG 103 5.958 -2.591 -20.019 781 HH21 ARG 103 HH21 ARG 103 2.967 -1.809 -21.650 782 HH22 ARG 103 HH22 ARG 103 4.442 -2.714 -21.727 783 H THR 104 H THR 104 -0.043 -0.626 -14.007 784 HA THR 104 HA THR 104 -1.116 2.045 -14.484 785 HB THR 104 HB THR 104 -1.895 0.961 -16.445 786 HG1 THR 104 HG1 THR 104 -3.566 2.057 -15.474 787 HG21 THR 104 HG21 THR 104 -1.478 -1.394 -15.410 788 HG22 THR 104 HG22 THR 104 -2.696 -1.169 -16.666 789 HG23 THR 104 HG23 THR 104 -3.183 -1.280 -14.974 790 H VAL 105 H VAL 105 -3.410 2.167 -13.482 791 HA VAL 105 HA VAL 105 -3.155 1.296 -10.748 792 HB VAL 105 HB VAL 105 -5.487 2.744 -12.004 793 HG11 VAL 105 HG11 VAL 105 -5.364 3.641 -9.485 794 HG12 VAL 105 HG12 VAL 105 -4.697 2.026 -9.249 795 HG13 VAL 105 HG13 VAL 105 -6.300 2.222 -9.957 796 HG21 VAL 105 HG21 VAL 105 -3.662 4.393 -10.474 797 HG22 VAL 105 HG22 VAL 105 -4.323 4.642 -12.089 798 HG23 VAL 105 HG23 VAL 105 -2.872 3.665 -11.873 799 H GLU 106 H GLU 106 -5.291 0.604 -13.480 800 HA GLU 106 HA GLU 106 -7.188 -0.962 -12.186 801 HB2 GLU 106 HB2 GLU 106 -7.627 -1.963 -14.387 802 HB3 GLU 106 HB3 GLU 106 -7.456 -0.216 -14.489 803 HG2 GLU 106 HG2 GLU 106 -5.151 -0.501 -15.278 804 HG3 GLU 106 HG3 GLU 106 -5.360 -2.251 -15.214 805 H ASP 107 H ASP 107 -3.931 -1.731 -13.167 806 HA ASP 107 HA ASP 107 -4.222 -4.569 -12.875 807 HB2 ASP 107 HB2 ASP 107 -2.402 -3.028 -14.147 808 HB3 ASP 107 HB3 ASP 107 -1.523 -3.370 -12.660 809 H LEU 108 H LEU 108 -3.000 -1.930 -10.874 810 HA LEU 108 HA LEU 108 -1.985 -3.535 -8.782 811 HB2 LEU 108 HB2 LEU 108 -2.781 -0.666 -9.048 812 HB3 LEU 108 HB3 LEU 108 -2.447 -1.316 -7.454 813 HG LEU 108 HG LEU 108 -0.479 -1.488 -9.730 814 HD11 LEU 108 HD11 LEU 108 0.589 0.465 -8.949 815 HD12 LEU 108 HD12 LEU 108 -0.433 0.543 -7.514 816 HD13 LEU 108 HD13 LEU 108 -1.119 0.876 -9.104 817 HD21 LEU 108 HD21 LEU 108 -0.521 -2.266 -6.884 818 HD22 LEU 108 HD22 LEU 108 0.959 -1.498 -7.460 819 HD23 LEU 108 HD23 LEU 108 0.363 -2.962 -8.242 820 H ILE 109 H ILE 109 -5.166 -2.227 -9.467 821 HA ILE 109 HA ILE 109 -6.305 -2.788 -6.922 822 HB ILE 109 HB ILE 109 -7.773 -2.551 -9.549 823 HG12 ILE 109 HG12 ILE 109 -7.495 -0.237 -7.696 824 HG13 ILE 109 HG13 ILE 109 -6.105 -0.643 -8.697 825 HG21 ILE 109 HG21 ILE 109 -9.267 -1.419 -7.500 826 HG22 ILE 109 HG22 ILE 109 -8.589 -2.887 -6.795 827 HG23 ILE 109 HG23 ILE 109 -9.544 -2.980 -8.274 828 HD11 ILE 109 HD11 ILE 109 -7.026 0.333 -10.453 829 HD12 ILE 109 HD12 ILE 109 -8.325 0.891 -9.399 830 HD13 ILE 109 HD13 ILE 109 -8.495 -0.626 -10.281 831 H LYS 110 H LYS 110 -6.566 -4.444 -10.069 832 HA LYS 110 HA LYS 110 -8.115 -6.598 -9.223 833 HB2 LYS 110 HB2 LYS 110 -7.037 -5.799 -11.603 834 HB3 LYS 110 HB3 LYS 110 -6.090 -7.240 -11.260 835 HG2 LYS 110 HG2 LYS 110 -7.810 -8.618 -11.657 836 HG3 LYS 110 HG3 LYS 110 -8.974 -7.561 -10.856 837 HD2 LYS 110 HD2 LYS 110 -9.371 -6.327 -12.772 838 HD3 LYS 110 HD3 LYS 110 -7.823 -6.768 -13.498 839 HE2 LYS 110 HE2 LYS 110 -8.637 -8.672 -14.387 840 HE3 LYS 110 HE3 LYS 110 -9.649 -9.014 -12.984 841 HZ1 LYS 110 HZ1 LYS 110 -10.614 -8.268 -15.343 842 HZ2 LYS 110 HZ2 LYS 110 -10.461 -6.750 -14.612 843 HZ3 LYS 110 HZ3 LYS 110 -11.401 -7.950 -13.878 844 H PHE 111 H PHE 111 -4.750 -5.939 -8.745 845 HA PHE 111 HA PHE 111 -3.944 -8.620 -8.185 846 HB2 PHE 111 HB2 PHE 111 -2.558 -6.399 -8.744 847 HB3 PHE 111 HB3 PHE 111 -2.464 -6.335 -6.987 848 HD1 PHE 111 HD1 PHE 111 -2.403 -9.251 -9.299 849 HD2 PHE 111 HD2 PHE 111 -0.299 -6.911 -6.434 850 HE1 PHE 111 HE1 PHE 111 -0.552 -10.871 -9.342 851 HE2 PHE 111 HE2 PHE 111 1.557 -8.527 -6.472 852 HZ PHE 111 HZ PHE 111 1.432 -10.509 -7.928 853 H ILE 112 H ILE 112 -4.845 -5.835 -6.181 854 HA ILE 112 HA ILE 112 -4.359 -6.914 -3.671 855 HB ILE 112 HB ILE 112 -6.642 -5.072 -4.393 856 HG12 ILE 112 HG12 ILE 112 -4.132 -3.997 -3.256 857 HG13 ILE 112 HG13 ILE 112 -4.029 -4.572 -4.916 858 HG21 ILE 112 HG21 ILE 112 -5.365 -5.887 -1.821 859 HG22 ILE 112 HG22 ILE 112 -7.073 -5.688 -2.215 860 HG23 ILE 112 HG23 ILE 112 -6.051 -4.270 -1.981 861 HD11 ILE 112 HD11 ILE 112 -6.322 -3.075 -4.939 862 HD12 ILE 112 HD12 ILE 112 -4.730 -2.540 -5.477 863 HD13 ILE 112 HD13 ILE 112 -5.274 -2.179 -3.839 864 H ALA 113 H ALA 113 -7.296 -7.121 -5.657 865 HA ALA 113 HA ALA 113 -8.689 -8.728 -3.732 866 HB1 ALA 113 HB1 ALA 113 -10.365 -7.858 -4.907 867 HB2 ALA 113 HB2 ALA 113 -9.997 -9.049 -6.155 868 HB3 ALA 113 HB3 ALA 113 -9.300 -7.431 -6.246 869 H GLU 114 H GLU 114 -6.469 -9.346 -6.289 870 HA GLU 114 HA GLU 114 -7.276 -12.075 -6.726 871 HB2 GLU 114 HB2 GLU 114 -5.136 -10.279 -7.746 872 HB3 GLU 114 HB3 GLU 114 -4.848 -12.012 -7.837 873 HG2 GLU 114 HG2 GLU 114 -7.482 -11.167 -8.795 874 HG3 GLU 114 HG3 GLU 114 -6.122 -10.540 -9.725 875 H ASN 115 H ASN 115 -4.535 -10.462 -5.127 876 HA ASN 115 HA ASN 115 -3.659 -13.012 -4.023 877 HB2 ASN 115 HB2 ASN 115 -1.693 -11.813 -3.256 878 HB3 ASN 115 HB3 ASN 115 -1.989 -11.430 -4.948 879 HD21 ASN 115 HD21 ASN 115 -1.734 -9.382 -5.429 880 HD22 ASN 115 HD22 ASN 115 -1.995 -8.041 -4.372 881 H GLY 116 H GLY 116 -5.089 -9.971 -2.986 882 HA2 GLY 116 HA2 GLY 116 -4.796 -10.254 -0.217 883 HA3 GLY 116 HA3 GLY 116 -6.080 -9.354 -1.009 884 H LYS 117 H LYS 117 -5.541 -11.724 1.145 885 HA LYS 117 HA LYS 117 -7.269 -13.804 0.449 886 HB2 LYS 117 HB2 LYS 117 -5.634 -13.346 2.541 887 HB3 LYS 117 HB3 LYS 117 -7.182 -13.006 3.302 888 HG2 LYS 117 HG2 LYS 117 -7.976 -15.191 2.889 889 HG3 LYS 117 HG3 LYS 117 -6.646 -15.540 1.782 890 HD2 LYS 117 HD2 LYS 117 -5.164 -15.926 3.468 891 HD3 LYS 117 HD3 LYS 117 -5.938 -14.773 4.558 892 HE2 LYS 117 HE2 LYS 117 -7.836 -16.402 4.771 893 HE3 LYS 117 HE3 LYS 117 -6.853 -17.562 3.879 894 HZ1 LYS 117 HZ1 LYS 117 -6.830 -17.528 6.467 895 HZ2 LYS 117 HZ2 LYS 117 -5.718 -16.271 6.259 896 HZ3 LYS 117 HZ3 LYS 117 -5.397 -17.799 5.610 897 H TYR 118 H TYR 118 -7.906 -10.731 2.073 898 HA TYR 118 HA TYR 118 -10.682 -11.309 2.513 899 HB2 TYR 118 HB2 TYR 118 -8.811 -9.187 3.185 900 HB3 TYR 118 HB3 TYR 118 -10.372 -8.545 2.682 901 HD1 TYR 118 HD1 TYR 118 -9.525 -11.638 4.590 902 HD2 TYR 118 HD2 TYR 118 -11.449 -7.844 4.614 903 HE1 TYR 118 HE1 TYR 118 -10.435 -12.120 6.823 904 HE2 TYR 118 HE2 TYR 118 -12.364 -8.314 6.847 905 HH TYR 118 HH TYR 118 -11.458 -10.037 8.882 906 H LYS 119 H LYS 119 -8.926 -10.444 -0.215 907 HA LYS 119 HA LYS 119 -9.510 -9.801 -2.312 908 HB2 LYS 119 HB2 LYS 119 -12.073 -10.771 -1.164 909 HB3 LYS 119 HB3 LYS 119 -12.172 -9.817 -2.638 910 HG2 LYS 119 HG2 LYS 119 -11.516 -11.530 -3.881 911 HG3 LYS 119 HG3 LYS 119 -10.112 -11.820 -2.852 912 HD2 LYS 119 HD2 LYS 119 -11.179 -13.405 -1.610 913 HD3 LYS 119 HD3 LYS 119 -12.761 -12.650 -1.807 914 HE2 LYS 119 HE2 LYS 119 -12.961 -14.583 -3.068 915 HE3 LYS 119 HE3 LYS 119 -12.535 -13.374 -4.279 916 HZ1 LYS 119 HZ1 LYS 119 -10.496 -14.277 -4.598 917 HZ2 LYS 119 HZ2 LYS 119 -11.300 -15.683 -4.111 918 HZ3 LYS 119 HZ3 LYS 119 -10.346 -14.829 -3.006 919 H ALA 120 H ALA 120 -8.820 -7.733 -0.863 920 HA ALA 120 HA ALA 120 -10.765 -5.726 -0.460 921 HB1 ALA 120 HB1 ALA 120 -9.029 -4.879 0.633 922 HB2 ALA 120 HB2 ALA 120 -8.308 -4.450 -0.918 923 HB3 ALA 120 HB3 ALA 120 -7.924 -5.998 -0.165 924 H ALA 121 H ALA 121 -11.956 -5.914 -2.483 925 HA ALA 121 HA ALA 121 -11.460 -3.812 -4.241 926 HB1 ALA 121 HB1 ALA 121 -10.308 -4.612 -5.998 927 HB2 ALA 121 HB2 ALA 121 -11.066 -6.202 -5.903 928 HB3 ALA 121 HB3 ALA 121 -9.717 -5.803 -4.839
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