NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640322 | 6rpv | 34399 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H1 SER 1 -1.334 -4.020 11.927 2 H2 SER 1 H2 SER 1 -0.505 -3.219 10.794 3 H3 SER 1 H3 SER 1 0.168 -3.508 12.236 4 HA SER 1 HA SER 1 -0.551 -5.563 10.248 5 HB2 SER 1 HB2 SER 1 1.425 -4.274 9.571 6 HB3 SER 1 HB3 SER 1 2.163 -4.526 11.166 7 HG SER 1 HG SER 1 2.437 -6.674 10.713 8 H SER 2 H SER 2 -0.216 -7.700 10.863 9 HA SER 2 HA SER 2 -0.314 -8.258 13.708 10 HB2 SER 2 HB2 SER 2 0.202 -10.162 11.387 11 HB3 SER 2 HB3 SER 2 -0.497 -10.564 12.970 12 HG SER 2 HG SER 2 -2.375 -9.675 12.372 13 HA PRO 3 HA PRO 3 4.125 -8.889 14.062 14 HB2 PRO 3 HB2 PRO 3 4.352 -10.859 15.927 15 HB3 PRO 3 HB3 PRO 3 3.763 -9.224 16.373 16 HG2 PRO 3 HG2 PRO 3 2.172 -11.699 15.732 17 HG3 PRO 3 HG3 PRO 3 2.042 -10.616 17.156 18 HD2 PRO 3 HD2 PRO 3 0.397 -10.373 15.020 19 HD3 PRO 3 HD3 PRO 3 0.982 -8.931 15.922 20 H GLY 4 H GLY 4 5.786 -10.833 13.766 21 HA2 GLY 4 HA2 GLY 4 4.812 -13.283 12.698 22 HA3 GLY 4 HA3 GLY 4 5.102 -12.151 11.376 23 H LYS 5 H LYS 5 6.579 -13.727 10.646 24 HA LYS 5 HA LYS 5 8.944 -14.530 12.091 25 HB2 LYS 5 HB2 LYS 5 9.649 -15.386 9.893 26 HB3 LYS 5 HB3 LYS 5 7.944 -15.770 10.160 27 HG2 LYS 5 HG2 LYS 5 7.292 -13.849 8.745 28 HG3 LYS 5 HG3 LYS 5 8.994 -13.460 8.480 29 HD2 LYS 5 HD2 LYS 5 9.212 -15.820 7.518 30 HD3 LYS 5 HD3 LYS 5 7.434 -15.842 7.496 31 HE2 LYS 5 HE2 LYS 5 9.275 -13.850 6.102 32 HE3 LYS 5 HE3 LYS 5 8.284 -15.089 5.322 33 HZ1 LYS 5 HZ1 LYS 5 7.285 -12.704 6.784 34 HZ2 LYS 5 HZ2 LYS 5 7.250 -12.947 5.148 35 HZ3 LYS 5 HZ3 LYS 5 6.314 -13.879 6.138 36 HA PRO 6 HA PRO 6 11.366 -10.964 11.086 37 HB2 PRO 6 HB2 PRO 6 13.812 -11.875 10.216 38 HB3 PRO 6 HB3 PRO 6 13.344 -11.860 11.948 39 HG2 PRO 6 HG2 PRO 6 13.216 -14.135 9.974 40 HG3 PRO 6 HG3 PRO 6 13.906 -14.116 11.628 41 HD2 PRO 6 HD2 PRO 6 11.431 -15.076 11.146 42 HD3 PRO 6 HD3 PRO 6 11.784 -14.131 12.634 43 HA PRO 7 HA PRO 7 10.239 -11.080 6.807 44 HB2 PRO 7 HB2 PRO 7 11.029 -8.611 5.922 45 HB3 PRO 7 HB3 PRO 7 9.635 -8.835 7.029 46 HG2 PRO 7 HG2 PRO 7 12.482 -8.135 7.708 47 HG3 PRO 7 HG3 PRO 7 10.969 -7.306 8.202 48 HD2 PRO 7 HD2 PRO 7 12.176 -9.076 9.828 49 HD3 PRO 7 HD3 PRO 7 10.382 -9.025 9.696 50 H ARG 8 H ARG 8 11.167 -11.475 4.711 51 HA ARG 8 HA ARG 8 13.949 -12.236 4.765 52 HB2 ARG 8 HB2 ARG 8 12.309 -13.266 3.208 53 HB3 ARG 8 HB3 ARG 8 12.132 -11.719 2.377 54 HG2 ARG 8 HG2 ARG 8 13.571 -13.252 1.111 55 HG3 ARG 8 HG3 ARG 8 14.434 -11.793 1.601 56 HD2 ARG 8 HD2 ARG 8 15.858 -13.757 1.870 57 HD3 ARG 8 HD3 ARG 8 15.522 -13.018 3.442 58 HE ARG 8 HE ARG 8 13.604 -15.069 2.917 59 HH11 ARG 8 HH11 ARG 8 17.012 -14.720 3.774 60 HH12 ARG 8 HH12 ARG 8 17.074 -16.281 4.548 61 HH21 ARG 8 HH21 ARG 8 13.757 -17.047 3.928 62 HH22 ARG 8 HH22 ARG 8 15.260 -17.567 4.643 63 H LEU 9 H LEU 9 15.643 -10.978 4.715 64 HA LEU 9 HA LEU 9 15.624 -8.546 2.998 65 HB2 LEU 9 HB2 LEU 9 16.865 -8.830 5.784 66 HB3 LEU 9 HB3 LEU 9 17.061 -7.439 4.729 67 HG LEU 9 HG LEU 9 14.431 -8.300 5.985 68 HD11 LEU 9 HD11 LEU 9 16.073 -7.610 7.672 69 HD12 LEU 9 HD12 LEU 9 16.371 -6.097 6.784 70 HD13 LEU 9 HD13 LEU 9 14.778 -6.407 7.518 71 HD21 LEU 9 HD21 LEU 9 15.177 -5.706 4.576 72 HD22 LEU 9 HD22 LEU 9 14.119 -6.979 3.916 73 HD23 LEU 9 HD23 LEU 9 13.625 -6.071 5.360 74 H VAL 10 H VAL 10 17.492 -8.078 2.122 75 HA VAL 10 HA VAL 10 19.345 -10.385 1.980 76 HB VAL 10 HB VAL 10 17.873 -9.072 -0.370 77 HG11 VAL 10 HG11 VAL 10 18.828 -10.869 -1.638 78 HG12 VAL 10 HG12 VAL 10 20.059 -9.818 -0.919 79 HG13 VAL 10 HG13 VAL 10 19.716 -11.404 -0.190 80 HG21 VAL 10 HG21 VAL 10 17.471 -11.831 0.932 81 HG22 VAL 10 HG22 VAL 10 16.279 -10.515 0.868 82 HG23 VAL 10 HG23 VAL 10 16.756 -11.340 -0.622 83 H GLY 11 H GLY 11 18.813 -7.345 0.083 84 HA2 GLY 11 HA2 GLY 11 20.613 -5.635 1.199 85 HA3 GLY 11 HA3 GLY 11 21.662 -6.723 0.262 86 H GLY 12 H GLY 12 21.041 -3.817 -0.209 87 HA2 GLY 12 HA2 GLY 12 20.674 -2.503 -2.075 88 HA3 GLY 12 HA3 GLY 12 20.639 -3.991 -3.045 89 HA PRO 13 HA PRO 13 16.320 -2.534 -2.615 90 HB2 PRO 13 HB2 PRO 13 15.541 -2.220 -5.180 91 HB3 PRO 13 HB3 PRO 13 16.413 -0.925 -4.295 92 HG2 PRO 13 HG2 PRO 13 17.499 -2.956 -6.247 93 HG3 PRO 13 HG3 PRO 13 17.808 -1.194 -6.167 94 HD2 PRO 13 HD2 PRO 13 19.510 -3.099 -5.117 95 HD3 PRO 13 HD3 PRO 13 19.365 -1.433 -4.455 96 H MET 14 H MET 14 14.699 -4.017 -2.502 97 HA MET 14 HA MET 14 14.663 -6.283 -4.410 98 HB2 MET 14 HB2 MET 14 14.537 -7.937 -2.596 99 HB3 MET 14 HB3 MET 14 16.097 -7.110 -2.573 100 HG2 MET 14 HG2 MET 14 15.465 -5.772 -0.675 101 HG3 MET 14 HG3 MET 14 13.780 -6.296 -0.785 102 HE1 MET 14 HE1 MET 14 13.674 -9.830 0.643 103 HE2 MET 14 HE2 MET 14 12.776 -8.435 0.008 104 HE3 MET 14 HE3 MET 14 13.742 -9.442 -1.091 105 H ASP 15 H ASP 15 12.590 -7.182 -4.620 106 HA ASP 15 HA ASP 15 10.404 -5.649 -3.382 107 HB2 ASP 15 HB2 ASP 15 10.594 -7.854 -5.439 108 HB3 ASP 15 HB3 ASP 15 9.075 -7.621 -4.558 109 H ALA 16 H ALA 16 9.102 -6.461 -1.750 110 HA ALA 16 HA ALA 16 9.858 -9.139 -0.556 111 HB1 ALA 16 HB1 ALA 16 9.019 -8.102 1.596 112 HB2 ALA 16 HB2 ALA 16 10.614 -7.566 1.008 113 HB3 ALA 16 HB3 ALA 16 9.180 -6.538 0.768 114 H SER 17 H SER 17 8.064 -10.270 0.267 115 HA SER 17 HA SER 17 5.779 -9.989 -1.492 116 HB2 SER 17 HB2 SER 17 6.067 -11.829 0.903 117 HB3 SER 17 HB3 SER 17 5.002 -12.031 -0.498 118 HG SER 17 HG SER 17 6.829 -13.291 -0.770 119 H VAL 18 H VAL 18 3.517 -9.890 -0.744 120 HA VAL 18 HA VAL 18 3.098 -7.726 1.126 121 HB VAL 18 HB VAL 18 0.731 -8.039 0.686 122 HG11 VAL 18 HG11 VAL 18 0.701 -7.859 -1.729 123 HG12 VAL 18 HG12 VAL 18 2.197 -7.107 -1.130 124 HG13 VAL 18 HG13 VAL 18 2.245 -8.730 -1.859 125 HG21 VAL 18 HG21 VAL 18 0.562 -10.503 0.908 126 HG22 VAL 18 HG22 VAL 18 -0.157 -9.957 -0.616 127 HG23 VAL 18 HG23 VAL 18 1.448 -10.716 -0.618 128 H GLU 19 H GLU 19 3.504 -11.113 1.391 129 HA GLU 19 HA GLU 19 2.152 -11.520 3.908 130 HB2 GLU 19 HB2 GLU 19 4.322 -12.933 2.362 131 HB3 GLU 19 HB3 GLU 19 3.709 -13.535 3.923 132 HG2 GLU 19 HG2 GLU 19 2.154 -14.598 2.755 133 HG3 GLU 19 HG3 GLU 19 1.421 -12.998 2.502 134 H GLU 20 H GLU 20 5.374 -10.350 2.926 135 HA GLU 20 HA GLU 20 6.466 -10.477 5.473 136 HB2 GLU 20 HB2 GLU 20 7.198 -8.929 3.138 137 HB3 GLU 20 HB3 GLU 20 7.628 -8.192 4.680 138 HG2 GLU 20 HG2 GLU 20 9.371 -9.481 3.996 139 HG3 GLU 20 HG3 GLU 20 8.496 -10.174 5.414 140 H GLU 21 H GLU 21 6.443 -9.805 7.171 141 HA GLU 21 HA GLU 21 4.667 -7.858 7.848 142 HB2 GLU 21 HB2 GLU 21 5.966 -7.861 10.122 143 HB3 GLU 21 HB3 GLU 21 4.981 -9.243 9.646 144 HG2 GLU 21 HG2 GLU 21 7.962 -9.063 9.125 145 HG3 GLU 21 HG3 GLU 21 7.259 -9.796 10.576 146 H GLY 22 H GLY 22 7.925 -7.701 6.889 147 HA2 GLY 22 HA2 GLY 22 8.461 -5.006 7.750 148 HA3 GLY 22 HA3 GLY 22 9.289 -5.877 6.440 149 H VAL 23 H VAL 23 6.688 -6.427 5.045 150 HA VAL 23 HA VAL 23 6.407 -3.837 3.664 151 HB VAL 23 HB VAL 23 5.247 -6.631 3.222 152 HG11 VAL 23 HG11 VAL 23 4.435 -5.823 1.039 153 HG12 VAL 23 HG12 VAL 23 3.560 -5.206 2.438 154 HG13 VAL 23 HG13 VAL 23 4.732 -4.152 1.605 155 HG21 VAL 23 HG21 VAL 23 7.594 -6.385 2.655 156 HG22 VAL 23 HG22 VAL 23 6.617 -6.589 1.191 157 HG23 VAL 23 HG23 VAL 23 7.214 -4.973 1.635 158 H ARG 24 H ARG 24 4.338 -6.178 5.440 159 HA ARG 24 HA ARG 24 1.907 -4.798 5.219 160 HB2 ARG 24 HB2 ARG 24 2.942 -6.575 7.454 161 HB3 ARG 24 HB3 ARG 24 1.247 -6.100 7.258 162 HG2 ARG 24 HG2 ARG 24 1.058 -7.299 5.180 163 HG3 ARG 24 HG3 ARG 24 2.803 -7.516 5.080 164 HD2 ARG 24 HD2 ARG 24 1.923 -9.618 5.618 165 HD3 ARG 24 HD3 ARG 24 2.737 -8.990 7.068 166 HE ARG 24 HE ARG 24 -0.031 -8.329 7.193 167 HH11 ARG 24 HH11 ARG 24 2.076 -11.153 7.376 168 HH12 ARG 24 HH12 ARG 24 0.963 -12.042 8.387 169 HH21 ARG 24 HH21 ARG 24 -1.430 -9.537 8.460 170 HH22 ARG 24 HH22 ARG 24 -0.987 -11.137 8.988 171 H ARG 25 H ARG 25 4.502 -4.267 7.649 172 HA ARG 25 HA ARG 25 2.896 -2.417 9.175 173 HB2 ARG 25 HB2 ARG 25 4.968 -1.605 10.124 174 HB3 ARG 25 HB3 ARG 25 4.932 -3.374 10.113 175 HG2 ARG 25 HG2 ARG 25 6.904 -3.438 9.038 176 HG3 ARG 25 HG3 ARG 25 6.256 -2.480 7.703 177 HD2 ARG 25 HD2 ARG 25 8.135 -1.285 8.568 178 HD3 ARG 25 HD3 ARG 25 6.686 -0.409 9.105 179 HE ARG 25 HE ARG 25 7.384 -2.296 11.110 180 HH11 ARG 25 HH11 ARG 25 8.690 0.713 9.784 181 HH12 ARG 25 HH12 ARG 25 9.519 1.102 11.268 182 HH21 ARG 25 HH21 ARG 25 8.467 -1.711 12.964 183 HH22 ARG 25 HH22 ARG 25 9.381 -0.228 13.026 184 H ALA 26 H ALA 26 4.661 -2.034 6.186 185 HA ALA 26 HA ALA 26 4.763 0.870 6.374 186 HB1 ALA 26 HB1 ALA 26 6.615 -0.553 5.350 187 HB2 ALA 26 HB2 ALA 26 5.478 -0.982 4.048 188 HB3 ALA 26 HB3 ALA 26 5.973 0.705 4.281 189 H LEU 27 H LEU 27 2.989 -1.792 4.913 190 HA LEU 27 HA LEU 27 1.412 -0.278 3.049 191 HB2 LEU 27 HB2 LEU 27 0.647 -2.787 4.609 192 HB3 LEU 27 HB3 LEU 27 -0.213 -2.127 3.237 193 HG LEU 27 HG LEU 27 2.320 -3.729 3.299 194 HD11 LEU 27 HD11 LEU 27 0.151 -4.804 2.937 195 HD12 LEU 27 HD12 LEU 27 -0.174 -3.726 1.561 196 HD13 LEU 27 HD13 LEU 27 1.160 -4.901 1.480 197 HD21 LEU 27 HD21 LEU 27 2.630 -3.099 0.860 198 HD22 LEU 27 HD22 LEU 27 1.583 -1.695 1.174 199 HD23 LEU 27 HD23 LEU 27 3.120 -1.882 2.050 200 H ASP 28 H ASP 28 0.726 -1.413 6.396 201 HA ASP 28 HA ASP 28 -1.835 -0.080 6.493 202 HB2 ASP 28 HB2 ASP 28 0.070 -0.965 8.734 203 HB3 ASP 28 HB3 ASP 28 -1.604 -0.445 8.980 204 H PHE 29 H PHE 29 1.480 0.809 7.435 205 HA PHE 29 HA PHE 29 0.807 3.232 8.786 206 HB2 PHE 29 HB2 PHE 29 3.027 2.179 8.914 207 HB3 PHE 29 HB3 PHE 29 3.271 2.460 7.189 208 HD1 PHE 29 HD1 PHE 29 3.193 4.011 10.535 209 HD2 PHE 29 HD2 PHE 29 3.717 4.738 6.328 210 HE1 PHE 29 HE1 PHE 29 4.189 6.239 11.042 211 HE2 PHE 29 HE2 PHE 29 4.713 6.960 6.827 212 HZ PHE 29 HZ PHE 29 4.952 7.714 9.186 213 H ALA 30 H ALA 30 1.609 2.482 5.335 214 HA ALA 30 HA ALA 30 1.529 5.190 4.466 215 HB1 ALA 30 HB1 ALA 30 2.274 3.295 3.064 216 HB2 ALA 30 HB2 ALA 30 0.581 2.744 2.932 217 HB3 ALA 30 HB3 ALA 30 1.069 4.304 2.230 218 H VAL 31 H VAL 31 -1.256 2.934 4.689 219 HA VAL 31 HA VAL 31 -3.177 4.706 3.434 220 HB VAL 31 HB VAL 31 -4.118 2.870 5.567 221 HG11 VAL 31 HG11 VAL 31 -5.585 1.991 3.912 222 HG12 VAL 31 HG12 VAL 31 -5.683 3.755 4.117 223 HG13 VAL 31 HG13 VAL 31 -4.829 3.074 2.709 224 HG21 VAL 31 HG21 VAL 31 -2.477 1.781 3.421 225 HG22 VAL 31 HG22 VAL 31 -2.276 1.767 5.206 226 HG23 VAL 31 HG23 VAL 31 -3.606 0.849 4.448 227 H GLY 32 H GLY 32 -2.090 3.790 6.685 228 HA2 GLY 32 HA2 GLY 32 -4.148 5.114 8.111 229 HA3 GLY 32 HA3 GLY 32 -2.550 4.679 8.750 230 H GLU 33 H GLU 33 -1.075 6.067 6.726 231 HA GLU 33 HA GLU 33 -1.247 8.717 8.118 232 HB2 GLU 33 HB2 GLU 33 0.870 7.488 7.889 233 HB3 GLU 33 HB3 GLU 33 0.813 7.728 6.140 234 HG2 GLU 33 HG2 GLU 33 1.425 9.893 6.289 235 HG3 GLU 33 HG3 GLU 33 0.517 10.156 7.784 236 H TYR 34 H TYR 34 -1.946 7.322 5.069 237 HA TYR 34 HA TYR 34 -2.081 9.928 3.872 238 HB2 TYR 34 HB2 TYR 34 -1.136 8.120 2.529 239 HB3 TYR 34 HB3 TYR 34 -2.713 7.309 2.518 240 HD1 TYR 34 HD1 TYR 34 -1.110 10.622 1.693 241 HD2 TYR 34 HD2 TYR 34 -4.238 7.815 0.767 242 HE1 TYR 34 HE1 TYR 34 -1.810 12.034 -0.239 243 HE2 TYR 34 HE2 TYR 34 -4.941 9.248 -1.154 244 HH TYR 34 HH TYR 34 -3.326 12.339 -1.909 245 H ASN 35 H ASN 35 -4.272 7.255 4.129 246 HA ASN 35 HA ASN 35 -6.555 8.832 3.215 247 HB2 ASN 35 HB2 ASN 35 -6.043 5.935 4.004 248 HB3 ASN 35 HB3 ASN 35 -7.677 6.530 3.626 249 HD21 ASN 35 HD21 ASN 35 -7.637 7.922 1.485 250 HD22 ASN 35 HD22 ASN 35 -6.831 7.126 0.154 251 H LYS 36 H LYS 36 -5.731 6.896 6.111 252 HA LYS 36 HA LYS 36 -8.120 7.712 7.546 253 HB2 LYS 36 HB2 LYS 36 -7.022 5.641 8.089 254 HB3 LYS 36 HB3 LYS 36 -5.489 6.469 8.299 255 HG2 LYS 36 HG2 LYS 36 -7.620 7.343 10.151 256 HG3 LYS 36 HG3 LYS 36 -7.031 5.685 10.367 257 HD2 LYS 36 HD2 LYS 36 -4.845 6.353 10.834 258 HD3 LYS 36 HD3 LYS 36 -5.008 7.885 9.975 259 HE2 LYS 36 HE2 LYS 36 -6.597 7.364 12.500 260 HE3 LYS 36 HE3 LYS 36 -4.917 7.937 12.572 261 HZ1 LYS 36 HZ1 LYS 36 -6.640 9.736 12.563 262 HZ2 LYS 36 HZ2 LYS 36 -5.510 9.885 11.372 263 HZ3 LYS 36 HZ3 LYS 36 -7.016 9.334 11.002 264 H ALA 37 H ALA 37 -4.860 9.025 7.198 265 HA ALA 37 HA ALA 37 -5.041 10.735 9.508 266 HB1 ALA 37 HB1 ALA 37 -2.960 9.958 8.298 267 HB2 ALA 37 HB2 ALA 37 -3.369 11.208 7.094 268 HB3 ALA 37 HB3 ALA 37 -3.048 11.677 8.775 269 H SER 38 H SER 38 -5.875 10.898 6.079 270 HA SER 38 HA SER 38 -6.676 13.724 6.165 271 HB2 SER 38 HB2 SER 38 -7.276 11.494 4.177 272 HB3 SER 38 HB3 SER 38 -7.722 13.198 3.962 273 HG SER 38 HG SER 38 -5.188 11.976 3.911 274 H ASN 39 H ASN 39 -8.906 14.425 5.873 275 HA ASN 39 HA ASN 39 -10.683 13.169 7.746 276 HB2 ASN 39 HB2 ASN 39 -10.725 15.597 7.085 277 HB3 ASN 39 HB3 ASN 39 -11.377 15.105 5.512 278 HD21 ASN 39 HD21 ASN 39 -13.480 15.581 5.452 279 HD22 ASN 39 HD22 ASN 39 -14.615 15.255 6.739 280 H ASP 40 H ASP 40 -12.381 11.770 7.431 281 HA ASP 40 HA ASP 40 -12.303 10.168 4.990 282 HB2 ASP 40 HB2 ASP 40 -12.733 9.394 7.411 283 HB3 ASP 40 HB3 ASP 40 -14.353 10.078 7.248 284 H MET 41 H MET 41 -13.012 11.287 3.238 285 HA MET 41 HA MET 41 -15.538 12.864 3.377 286 HB2 MET 41 HB2 MET 41 -13.472 12.492 1.166 287 HB3 MET 41 HB3 MET 41 -14.902 13.517 1.044 288 HG2 MET 41 HG2 MET 41 -12.640 13.893 3.038 289 HG3 MET 41 HG3 MET 41 -12.818 14.781 1.518 290 HE1 MET 41 HE1 MET 41 -15.886 17.097 2.128 291 HE2 MET 41 HE2 MET 41 -14.546 16.654 1.045 292 HE3 MET 41 HE3 MET 41 -15.912 15.536 1.277 293 H TYR 42 H TYR 42 -13.947 10.246 1.602 294 HA TYR 42 HA TYR 42 -16.529 8.847 1.271 295 HB2 TYR 42 HB2 TYR 42 -14.451 9.254 -0.937 296 HB3 TYR 42 HB3 TYR 42 -15.859 8.188 -1.026 297 HD1 TYR 42 HD1 TYR 42 -14.636 11.612 -1.416 298 HD2 TYR 42 HD2 TYR 42 -18.185 9.196 -1.106 299 HE1 TYR 42 HE1 TYR 42 -15.994 13.476 -2.366 300 HE2 TYR 42 HE2 TYR 42 -19.532 11.065 -2.069 301 HH TYR 42 HH TYR 42 -18.071 14.180 -3.011 302 H HIS 43 H HIS 43 -16.060 6.664 1.742 303 HA HIS 43 HA HIS 43 -13.642 6.199 3.148 304 HB2 HIS 43 HB2 HIS 43 -15.538 4.168 1.932 305 HB3 HIS 43 HB3 HIS 43 -14.377 3.871 3.235 306 HD1 HIS 43 HD1 HIS 43 -15.154 6.604 4.820 307 HD2 HIS 43 HD2 HIS 43 -17.770 3.678 3.454 308 HE1 HIS 43 HE1 HIS 43 -17.238 6.794 6.221 309 H SER 44 H SER 44 -11.671 5.675 2.478 310 HA SER 44 HA SER 44 -11.341 4.269 -0.099 311 HB2 SER 44 HB2 SER 44 -9.867 6.834 0.634 312 HB3 SER 44 HB3 SER 44 -9.571 5.838 -0.806 313 HG SER 44 HG SER 44 -12.035 7.123 -0.167 314 H ARG 45 H ARG 45 -9.569 3.002 -0.202 315 HA ARG 45 HA ARG 45 -7.760 2.888 2.163 316 HB2 ARG 45 HB2 ARG 45 -9.963 1.414 2.313 317 HB3 ARG 45 HB3 ARG 45 -9.168 0.424 1.087 318 HG2 ARG 45 HG2 ARG 45 -7.190 0.345 2.772 319 HG3 ARG 45 HG3 ARG 45 -8.385 0.930 3.941 320 HD2 ARG 45 HD2 ARG 45 -8.465 -1.421 4.166 321 HD3 ARG 45 HD3 ARG 45 -9.858 -1.042 3.133 322 HE ARG 45 HE ARG 45 -7.536 -1.592 1.515 323 HH11 ARG 45 HH11 ARG 45 -9.922 -3.304 3.495 324 HH12 ARG 45 HH12 ARG 45 -9.727 -4.790 2.603 325 HH21 ARG 45 HH21 ARG 45 -7.342 -3.508 0.433 326 HH22 ARG 45 HH22 ARG 45 -8.281 -4.898 0.908 327 H ALA 46 H ALA 46 -5.834 1.579 1.631 328 HA ALA 46 HA ALA 46 -5.106 1.396 -1.177 329 HB1 ALA 46 HB1 ALA 46 -3.210 1.448 0.414 330 HB2 ALA 46 HB2 ALA 46 -3.930 0.169 1.422 331 HB3 ALA 46 HB3 ALA 46 -3.269 -0.220 -0.202 332 H LEU 47 H LEU 47 -6.514 0.220 -2.393 333 HA LEU 47 HA LEU 47 -8.137 -1.890 -1.268 334 HB2 LEU 47 HB2 LEU 47 -7.432 -1.225 -4.155 335 HB3 LEU 47 HB3 LEU 47 -8.663 -2.359 -3.655 336 HG LEU 47 HG LEU 47 -8.757 0.633 -3.320 337 HD11 LEU 47 HD11 LEU 47 -8.840 -0.190 -5.602 338 HD12 LEU 47 HD12 LEU 47 -10.009 -1.453 -5.158 339 HD13 LEU 47 HD13 LEU 47 -10.494 0.257 -5.119 340 HD21 LEU 47 HD21 LEU 47 -9.997 -0.387 -1.520 341 HD22 LEU 47 HD22 LEU 47 -11.149 0.157 -2.754 342 HD23 LEU 47 HD23 LEU 47 -10.730 -1.567 -2.632 343 H GLN 48 H GLN 48 -5.383 -1.687 -3.451 344 HA GLN 48 HA GLN 48 -4.676 -4.500 -2.907 345 HB2 GLN 48 HB2 GLN 48 -6.398 -4.344 -4.763 346 HB3 GLN 48 HB3 GLN 48 -5.271 -3.344 -5.671 347 HG2 GLN 48 HG2 GLN 48 -3.657 -5.188 -5.791 348 HG3 GLN 48 HG3 GLN 48 -4.688 -6.183 -4.751 349 HE21 GLN 48 HE21 GLN 48 -6.022 -7.552 -5.713 350 HE22 GLN 48 HE22 GLN 48 -6.539 -7.454 -7.378 351 H VAL 49 H VAL 49 -2.494 -4.602 -2.708 352 HA VAL 49 HA VAL 49 -0.908 -2.323 -3.605 353 HB VAL 49 HB VAL 49 -0.359 -4.662 -1.807 354 HG11 VAL 49 HG11 VAL 49 2.083 -4.261 -1.902 355 HG12 VAL 49 HG12 VAL 49 1.477 -4.921 -3.427 356 HG13 VAL 49 HG13 VAL 49 1.852 -3.184 -3.294 357 HG21 VAL 49 HG21 VAL 49 -0.905 -2.364 -0.932 358 HG22 VAL 49 HG22 VAL 49 0.719 -2.873 -0.465 359 HG23 VAL 49 HG23 VAL 49 0.513 -1.671 -1.776 360 H VAL 50 H VAL 50 0.221 -2.188 -5.377 361 HA VAL 50 HA VAL 50 0.040 -4.415 -7.319 362 HB VAL 50 HB VAL 50 1.139 -1.580 -7.699 363 HG11 VAL 50 HG11 VAL 50 1.815 -3.225 -9.434 364 HG12 VAL 50 HG12 VAL 50 0.110 -3.628 -9.718 365 HG13 VAL 50 HG13 VAL 50 0.719 -1.997 -10.094 366 HG21 VAL 50 HG21 VAL 50 -1.165 -1.373 -6.999 367 HG22 VAL 50 HG22 VAL 50 -1.073 -1.083 -8.743 368 HG23 VAL 50 HG23 VAL 50 -1.671 -2.645 -8.136 369 H ARG 51 H ARG 51 2.396 -2.394 -5.545 370 HA ARG 51 HA ARG 51 4.524 -4.405 -6.148 371 HB2 ARG 51 HB2 ARG 51 5.003 -1.410 -6.318 372 HB3 ARG 51 HB3 ARG 51 6.147 -2.687 -6.701 373 HG2 ARG 51 HG2 ARG 51 3.623 -2.092 -8.294 374 HG3 ARG 51 HG3 ARG 51 5.227 -1.477 -8.694 375 HD2 ARG 51 HD2 ARG 51 6.065 -3.667 -9.156 376 HD3 ARG 51 HD3 ARG 51 4.653 -4.430 -8.411 377 HE ARG 51 HE ARG 51 3.457 -4.194 -10.330 378 HH11 ARG 51 HH11 ARG 51 6.290 -2.111 -10.645 379 HH12 ARG 51 HH12 ARG 51 5.983 -1.795 -12.332 380 HH21 ARG 51 HH21 ARG 51 3.124 -3.736 -12.468 381 HH22 ARG 51 HH22 ARG 51 4.213 -2.689 -13.339 382 H ALA 52 H ALA 52 5.987 -4.644 -4.439 383 HA ALA 52 HA ALA 52 5.898 -2.669 -2.231 384 HB1 ALA 52 HB1 ALA 52 5.721 -4.582 -0.591 385 HB2 ALA 52 HB2 ALA 52 4.224 -4.260 -1.495 386 HB3 ALA 52 HB3 ALA 52 5.261 -5.638 -1.943 387 H ARG 53 H ARG 53 7.960 -2.061 -2.322 388 HA ARG 53 HA ARG 53 9.964 -4.234 -2.004 389 HB2 ARG 53 HB2 ARG 53 11.421 -3.231 -3.704 390 HB3 ARG 53 HB3 ARG 53 9.932 -3.849 -4.384 391 HG2 ARG 53 HG2 ARG 53 10.005 -1.042 -3.628 392 HG3 ARG 53 HG3 ARG 53 10.994 -1.530 -5.001 393 HD2 ARG 53 HD2 ARG 53 8.022 -2.013 -4.704 394 HD3 ARG 53 HD3 ARG 53 8.758 -0.751 -5.702 395 HE ARG 53 HE ARG 53 8.934 -3.717 -6.145 396 HH11 ARG 53 HH11 ARG 53 9.306 -0.450 -7.477 397 HH12 ARG 53 HH12 ARG 53 9.691 -1.058 -9.064 398 HH21 ARG 53 HH21 ARG 53 9.464 -4.396 -8.122 399 HH22 ARG 53 HH22 ARG 53 9.728 -3.273 -9.443 400 H LYS 54 H LYS 54 12.120 -3.362 -1.600 401 HA LYS 54 HA LYS 54 12.079 -0.701 -0.354 402 HB2 LYS 54 HB2 LYS 54 12.924 -1.565 1.829 403 HB3 LYS 54 HB3 LYS 54 11.256 -2.009 1.501 404 HG2 LYS 54 HG2 LYS 54 13.434 -3.993 0.792 405 HG3 LYS 54 HG3 LYS 54 13.035 -3.764 2.490 406 HD2 LYS 54 HD2 LYS 54 11.007 -4.580 0.336 407 HD3 LYS 54 HD3 LYS 54 11.811 -5.702 1.428 408 HE2 LYS 54 HE2 LYS 54 9.986 -3.418 2.304 409 HE3 LYS 54 HE3 LYS 54 9.516 -5.122 2.168 410 HZ1 LYS 54 HZ1 LYS 54 10.127 -4.552 4.432 411 HZ2 LYS 54 HZ2 LYS 54 11.191 -5.662 3.826 412 HZ3 LYS 54 HZ3 LYS 54 11.634 -4.078 3.959 413 H GLN 55 H GLN 55 14.109 0.118 0.144 414 HA GLN 55 HA GLN 55 16.372 -1.188 -1.299 415 HB2 GLN 55 HB2 GLN 55 15.853 1.147 -1.879 416 HB3 GLN 55 HB3 GLN 55 15.894 1.592 -0.174 417 HG2 GLN 55 HG2 GLN 55 18.307 1.018 -0.093 418 HG3 GLN 55 HG3 GLN 55 18.257 0.686 -1.834 419 HE21 GLN 55 HE21 GLN 55 18.754 3.019 0.552 420 HE22 GLN 55 HE22 GLN 55 18.679 4.433 -0.478 421 H ILE 56 H ILE 56 17.974 -2.135 -0.102 422 HA ILE 56 HA ILE 56 17.909 -1.683 2.852 423 HB ILE 56 HB ILE 56 18.971 -4.003 1.290 424 HG12 ILE 56 HG12 ILE 56 16.544 -3.731 3.108 425 HG13 ILE 56 HG13 ILE 56 16.466 -3.737 1.345 426 HG21 ILE 56 HG21 ILE 56 19.334 -5.058 3.518 427 HG22 ILE 56 HG22 ILE 56 20.268 -3.564 3.400 428 HG23 ILE 56 HG23 ILE 56 18.748 -3.584 4.325 429 HD11 ILE 56 HD11 ILE 56 17.377 -5.946 3.101 430 HD12 ILE 56 HD12 ILE 56 15.879 -5.839 2.158 431 HD13 ILE 56 HD13 ILE 56 17.443 -5.942 1.323 432 H GLY 57 H GLY 57 19.638 -0.641 3.707 433 HA2 GLY 57 HA2 GLY 57 22.319 -0.914 3.062 434 HA3 GLY 57 HA3 GLY 57 21.721 0.369 1.983 435 H ALA 58 H ALA 58 23.160 1.830 3.198 436 HA ALA 58 HA ALA 58 22.834 2.326 5.994 437 HB1 ALA 58 HB1 ALA 58 24.818 3.054 4.707 438 HB2 ALA 58 HB2 ALA 58 23.808 4.191 3.778 439 HB3 ALA 58 HB3 ALA 58 24.046 4.431 5.525 440 H GLY 59 H GLY 59 20.973 3.251 3.211 441 HA2 GLY 59 HA2 GLY 59 19.129 4.791 4.991 442 HA3 GLY 59 HA3 GLY 59 19.442 5.255 3.291 443 H VAL 60 H VAL 60 16.995 3.992 4.860 444 HA VAL 60 HA VAL 60 16.675 1.668 2.997 445 HB VAL 60 HB VAL 60 15.598 2.063 5.825 446 HG11 VAL 60 HG11 VAL 60 14.548 -0.152 5.604 447 HG12 VAL 60 HG12 VAL 60 13.892 0.959 4.389 448 HG13 VAL 60 HG13 VAL 60 15.089 -0.267 3.919 449 HG21 VAL 60 HG21 VAL 60 17.500 -0.021 4.673 450 HG22 VAL 60 HG22 VAL 60 17.963 1.336 5.720 451 HG23 VAL 60 HG23 VAL 60 16.923 0.048 6.355 452 H ASN 61 H ASN 61 15.335 2.172 1.406 453 HA ASN 61 HA ASN 61 13.162 4.150 1.987 454 HB2 ASN 61 HB2 ASN 61 14.518 3.462 -0.657 455 HB3 ASN 61 HB3 ASN 61 13.171 4.587 -0.458 456 HD21 ASN 61 HD21 ASN 61 13.817 6.609 -0.645 457 HD22 ASN 61 HD22 ASN 61 15.311 7.255 0.005 458 H TYR 62 H TYR 62 11.224 3.251 2.203 459 HA TYR 62 HA TYR 62 10.695 0.632 0.901 460 HB2 TYR 62 HB2 TYR 62 9.103 2.412 2.778 461 HB3 TYR 62 HB3 TYR 62 8.445 0.949 2.050 462 HD1 TYR 62 HD1 TYR 62 8.836 -1.187 2.991 463 HD2 TYR 62 HD2 TYR 62 11.121 2.189 4.376 464 HE1 TYR 62 HE1 TYR 62 9.722 -2.544 4.881 465 HE2 TYR 62 HE2 TYR 62 12.014 0.799 6.248 466 HH TYR 62 HH TYR 62 12.028 -1.252 7.260 467 H PHE 63 H PHE 63 9.496 0.466 -0.941 468 HA PHE 63 HA PHE 63 8.086 2.928 -1.923 469 HB2 PHE 63 HB2 PHE 63 9.507 0.797 -3.533 470 HB3 PHE 63 HB3 PHE 63 8.607 2.152 -4.202 471 HD1 PHE 63 HD1 PHE 63 11.749 1.019 -2.706 472 HD2 PHE 63 HD2 PHE 63 9.521 4.471 -3.984 473 HE1 PHE 63 HE1 PHE 63 13.845 2.356 -2.720 474 HE2 PHE 63 HE2 PHE 63 11.616 5.820 -3.997 475 HZ PHE 63 HZ PHE 63 13.783 4.765 -3.363 476 H LEU 64 H LEU 64 5.956 2.560 -1.804 477 HA LEU 64 HA LEU 64 4.974 -0.239 -2.296 478 HB2 LEU 64 HB2 LEU 64 3.761 1.893 -0.507 479 HB3 LEU 64 HB3 LEU 64 3.101 0.304 -0.811 480 HG LEU 64 HG LEU 64 3.872 0.103 1.306 481 HD11 LEU 64 HD11 LEU 64 4.917 -1.680 -0.119 482 HD12 LEU 64 HD12 LEU 64 6.415 -0.722 -0.135 483 HD13 LEU 64 HD13 LEU 64 5.777 -1.349 1.398 484 HD21 LEU 64 HD21 LEU 64 4.920 2.293 1.499 485 HD22 LEU 64 HD22 LEU 64 5.984 1.050 2.179 486 HD23 LEU 64 HD23 LEU 64 6.337 1.732 0.585 487 H ASP 65 H ASP 65 3.576 -0.402 -3.939 488 HA ASP 65 HA ASP 65 2.128 2.111 -4.794 489 HB2 ASP 65 HB2 ASP 65 3.135 -0.211 -6.542 490 HB3 ASP 65 HB3 ASP 65 2.151 1.140 -7.109 491 H VAL 66 H VAL 66 0.326 2.072 -5.279 492 HA VAL 66 HA VAL 66 -1.368 -0.188 -4.675 493 HB VAL 66 HB VAL 66 -0.527 1.601 -2.637 494 HG11 VAL 66 HG11 VAL 66 -2.560 2.889 -3.298 495 HG12 VAL 66 HG12 VAL 66 -3.525 1.400 -3.077 496 HG13 VAL 66 HG13 VAL 66 -2.679 2.158 -1.698 497 HG21 VAL 66 HG21 VAL 66 -0.815 -0.700 -2.713 498 HG22 VAL 66 HG22 VAL 66 -1.470 0.097 -1.303 499 HG23 VAL 66 HG23 VAL 66 -2.554 -0.502 -2.600 500 H GLU 67 H GLU 67 -3.271 -0.297 -5.187 501 HA GLU 67 HA GLU 67 -4.335 1.859 -6.923 502 HB2 GLU 67 HB2 GLU 67 -4.950 -1.056 -6.581 503 HB3 GLU 67 HB3 GLU 67 -6.263 0.039 -7.053 504 HG2 GLU 67 HG2 GLU 67 -4.838 0.878 -8.927 505 HG3 GLU 67 HG3 GLU 67 -3.640 -0.365 -8.523 506 H LEU 68 H LEU 68 -5.628 3.288 -6.084 507 HA LEU 68 HA LEU 68 -6.865 2.767 -3.418 508 HB2 LEU 68 HB2 LEU 68 -6.132 5.216 -5.014 509 HB3 LEU 68 HB3 LEU 68 -7.494 5.305 -3.896 510 HG LEU 68 HG LEU 68 -4.566 5.034 -3.274 511 HD11 LEU 68 HD11 LEU 68 -5.083 7.001 -1.895 512 HD12 LEU 68 HD12 LEU 68 -5.691 7.259 -3.542 513 HD13 LEU 68 HD13 LEU 68 -6.821 6.823 -2.240 514 HD21 LEU 68 HD21 LEU 68 -5.139 4.795 -0.883 515 HD22 LEU 68 HD22 LEU 68 -6.829 4.476 -1.338 516 HD23 LEU 68 HD23 LEU 68 -5.539 3.360 -1.836 517 H GLY 69 H GLY 69 -9.121 3.401 -3.170 518 HA2 GLY 69 HA2 GLY 69 -10.665 3.960 -5.531 519 HA3 GLY 69 HA3 GLY 69 -10.829 2.267 -5.017 520 H ARG 70 H ARG 70 -12.955 4.117 -5.049 521 HA ARG 70 HA ARG 70 -13.446 4.918 -2.254 522 HB2 ARG 70 HB2 ARG 70 -15.392 4.551 -4.576 523 HB3 ARG 70 HB3 ARG 70 -15.721 5.403 -3.068 524 HG2 ARG 70 HG2 ARG 70 -13.722 6.292 -5.202 525 HG3 ARG 70 HG3 ARG 70 -15.356 6.932 -5.003 526 HD2 ARG 70 HD2 ARG 70 -14.602 8.435 -3.534 527 HD3 ARG 70 HD3 ARG 70 -14.083 7.133 -2.457 528 HE ARG 70 HE ARG 70 -11.891 7.444 -3.118 529 HH11 ARG 70 HH11 ARG 70 -13.937 9.252 -5.386 530 HH12 ARG 70 HH12 ARG 70 -12.560 10.072 -6.091 531 HH21 ARG 70 HH21 ARG 70 -10.216 8.562 -4.106 532 HH22 ARG 70 HH22 ARG 70 -10.557 9.712 -5.388 533 H THR 71 H THR 71 -14.165 3.387 -0.763 534 HA THR 71 HA THR 71 -14.390 0.677 -1.883 535 HB THR 71 HB THR 71 -14.406 -0.010 0.555 536 HG1 THR 71 HG1 THR 71 -15.121 1.700 1.671 537 HG21 THR 71 HG21 THR 71 -12.149 1.829 -0.328 538 HG22 THR 71 HG22 THR 71 -12.074 0.677 1.023 539 HG23 THR 71 HG23 THR 71 -12.289 0.081 -0.634 540 H THR 72 H THR 72 -16.096 -0.675 -1.762 541 HA THR 72 HA THR 72 -18.733 0.535 -1.672 542 HB THR 72 HB THR 72 -19.382 -2.011 -1.717 543 HG1 THR 72 HG1 THR 72 -16.705 -2.300 -2.604 544 HG21 THR 72 HG21 THR 72 -18.740 -2.181 -4.116 545 HG22 THR 72 HG22 THR 72 -19.472 -0.611 -3.717 546 HG23 THR 72 HG23 THR 72 -17.710 -0.746 -3.928 547 H CYS 73 H CYS 73 -16.640 -0.772 0.703 548 HA CYS 73 HA CYS 73 -18.894 -0.853 2.662 549 HB2 CYS 73 HB2 CYS 73 -16.406 -2.585 2.605 550 HB3 CYS 73 HB3 CYS 73 -17.647 -2.607 3.865 551 H THR 74 H THR 74 -17.935 -0.675 4.947 552 HA THR 74 HA THR 74 -16.025 1.610 4.909 553 HB THR 74 HB THR 74 -17.174 2.566 6.710 554 HG1 THR 74 HG1 THR 74 -18.592 1.240 8.027 555 HG21 THR 74 HG21 THR 74 -19.459 0.935 5.613 556 HG22 THR 74 HG22 THR 74 -19.486 2.573 6.287 557 HG23 THR 74 HG23 THR 74 -18.734 2.281 4.709 558 H LYS 75 H LYS 75 -15.045 1.893 7.089 559 HA LYS 75 HA LYS 75 -13.265 -0.180 7.737 560 HB2 LYS 75 HB2 LYS 75 -12.744 1.337 9.685 561 HB3 LYS 75 HB3 LYS 75 -12.821 2.174 8.128 562 HG2 LYS 75 HG2 LYS 75 -15.391 2.605 8.833 563 HG3 LYS 75 HG3 LYS 75 -14.768 2.339 10.463 564 HD2 LYS 75 HD2 LYS 75 -13.172 4.184 10.198 565 HD3 LYS 75 HD3 LYS 75 -13.516 4.287 8.460 566 HE2 LYS 75 HE2 LYS 75 -15.896 4.896 9.024 567 HE3 LYS 75 HE3 LYS 75 -15.412 4.992 10.730 568 HZ1 LYS 75 HZ1 LYS 75 -14.373 6.656 8.485 569 HZ2 LYS 75 HZ2 LYS 75 -15.313 7.168 9.738 570 HZ3 LYS 75 HZ3 LYS 75 -13.760 6.696 10.020 571 H THR 76 H THR 76 -16.425 0.408 8.971 572 HA THR 76 HA THR 76 -16.014 -1.458 11.244 573 HB THR 76 HB THR 76 -18.458 -0.587 11.271 574 HG1 THR 76 HG1 THR 76 -18.694 1.440 10.545 575 HG21 THR 76 HG21 THR 76 -16.858 -0.269 13.141 576 HG22 THR 76 HG22 THR 76 -16.082 1.045 12.223 577 HG23 THR 76 HG23 THR 76 -17.741 1.242 12.835 578 H GLN 77 H GLN 77 -17.430 -1.139 8.298 579 HA GLN 77 HA GLN 77 -19.608 -3.010 8.474 580 HB2 GLN 77 HB2 GLN 77 -18.116 -1.740 6.225 581 HB3 GLN 77 HB3 GLN 77 -19.131 -3.126 5.863 582 HG2 GLN 77 HG2 GLN 77 -20.106 -0.649 7.298 583 HG3 GLN 77 HG3 GLN 77 -20.242 -0.923 5.552 584 HE21 GLN 77 HE21 GLN 77 -21.729 -2.364 4.733 585 HE22 GLN 77 HE22 GLN 77 -22.993 -3.042 5.728 586 HA PRO 78 HA PRO 78 -17.513 -6.856 8.207 587 HB2 PRO 78 HB2 PRO 78 -19.410 -8.466 7.123 588 HB3 PRO 78 HB3 PRO 78 -19.662 -7.685 8.717 589 HG2 PRO 78 HG2 PRO 78 -20.606 -6.775 5.996 590 HG3 PRO 78 HG3 PRO 78 -21.563 -7.006 7.496 591 HD2 PRO 78 HD2 PRO 78 -20.594 -4.559 6.741 592 HD3 PRO 78 HD3 PRO 78 -20.713 -5.045 8.469 593 H ASN 79 H ASN 79 -17.073 -8.726 6.642 594 HA ASN 79 HA ASN 79 -16.240 -9.598 4.745 595 HB2 ASN 79 HB2 ASN 79 -18.130 -7.732 3.286 596 HB3 ASN 79 HB3 ASN 79 -17.408 -9.219 2.662 597 HD21 ASN 79 HD21 ASN 79 -20.200 -8.537 2.894 598 HD22 ASN 79 HD22 ASN 79 -20.911 -9.753 3.929 599 H LEU 80 H LEU 80 -14.579 -7.485 5.714 600 HA LEU 80 HA LEU 80 -13.697 -5.804 3.626 601 HB2 LEU 80 HB2 LEU 80 -12.474 -6.688 6.169 602 HB3 LEU 80 HB3 LEU 80 -11.391 -6.065 4.928 603 HG LEU 80 HG LEU 80 -12.886 -4.047 4.739 604 HD11 LEU 80 HD11 LEU 80 -14.230 -3.447 6.713 605 HD12 LEU 80 HD12 LEU 80 -14.897 -4.839 5.846 606 HD13 LEU 80 HD13 LEU 80 -13.997 -5.086 7.362 607 HD21 LEU 80 HD21 LEU 80 -10.714 -4.048 5.845 608 HD22 LEU 80 HD22 LEU 80 -11.851 -2.970 6.688 609 HD23 LEU 80 HD23 LEU 80 -11.469 -4.568 7.374 610 H ASP 81 H ASP 81 -13.360 -9.188 3.591 611 HA ASP 81 HA ASP 81 -10.985 -9.078 1.881 612 HB2 ASP 81 HB2 ASP 81 -13.003 -11.303 2.342 613 HB3 ASP 81 HB3 ASP 81 -11.420 -11.478 1.565 614 H ASN 82 H ASN 82 -14.473 -9.390 1.578 615 HA ASN 82 HA ASN 82 -14.386 -9.805 -1.311 616 HB2 ASN 82 HB2 ASN 82 -16.758 -9.322 0.526 617 HB3 ASN 82 HB3 ASN 82 -16.828 -9.932 -1.132 618 HD21 ASN 82 HD21 ASN 82 -15.539 -11.980 -1.509 619 HD22 ASN 82 HD22 ASN 82 -15.596 -13.170 -0.231 620 H CYS 83 H CYS 83 -15.286 -7.087 0.858 621 HA CYS 83 HA CYS 83 -16.514 -5.556 -1.190 622 HB2 CYS 83 HB2 CYS 83 -14.931 -4.505 1.170 623 HB3 CYS 83 HB3 CYS 83 -16.121 -3.616 0.209 624 HA PRO 84 HA PRO 84 -12.418 -3.659 -2.409 625 HB2 PRO 84 HB2 PRO 84 -10.021 -4.792 -1.775 626 HB3 PRO 84 HB3 PRO 84 -10.819 -3.547 -0.759 627 HG2 PRO 84 HG2 PRO 84 -10.841 -6.516 -0.468 628 HG3 PRO 84 HG3 PRO 84 -10.531 -5.251 0.764 629 HD2 PRO 84 HD2 PRO 84 -12.920 -6.442 0.517 630 HD3 PRO 84 HD3 PRO 84 -12.759 -4.712 0.967 631 H PHE 85 H PHE 85 -12.666 -7.225 -2.176 632 HA PHE 85 HA PHE 85 -11.300 -7.839 -4.610 633 HB2 PHE 85 HB2 PHE 85 -12.251 -9.511 -2.948 634 HB3 PHE 85 HB3 PHE 85 -13.851 -9.130 -3.598 635 HD1 PHE 85 HD1 PHE 85 -10.558 -10.635 -4.424 636 HD2 PHE 85 HD2 PHE 85 -14.631 -10.016 -5.665 637 HE1 PHE 85 HE1 PHE 85 -10.253 -12.314 -6.241 638 HE2 PHE 85 HE2 PHE 85 -14.338 -11.691 -7.486 639 HZ PHE 85 HZ PHE 85 -12.145 -12.843 -7.781 640 H HIS 86 H HIS 86 -14.604 -6.744 -3.882 641 HA HIS 86 HA HIS 86 -15.358 -6.687 -6.706 642 HB2 HIS 86 HB2 HIS 86 -16.741 -5.645 -4.220 643 HB3 HIS 86 HB3 HIS 86 -17.433 -5.628 -5.847 644 HD1 HIS 86 HD1 HIS 86 -17.306 -8.287 -6.971 645 HD2 HIS 86 HD2 HIS 86 -17.601 -7.790 -2.854 646 HE1 HIS 86 HE1 HIS 86 -18.160 -10.472 -6.035 647 H ASP 87 H ASP 87 -13.791 -4.451 -4.529 648 HA ASP 87 HA ASP 87 -14.655 -2.066 -5.902 649 HB2 ASP 87 HB2 ASP 87 -12.287 -2.554 -4.086 650 HB3 ASP 87 HB3 ASP 87 -12.701 -0.981 -4.769 651 H GLN 88 H GLN 88 -11.781 -4.249 -6.327 652 HA GLN 88 HA GLN 88 -10.477 -2.668 -8.283 653 HB2 GLN 88 HB2 GLN 88 -10.631 -5.605 -7.814 654 HB3 GLN 88 HB3 GLN 88 -10.040 -5.072 -9.382 655 HG2 GLN 88 HG2 GLN 88 -8.360 -5.590 -7.521 656 HG3 GLN 88 HG3 GLN 88 -8.136 -4.170 -8.539 657 HE21 GLN 88 HE21 GLN 88 -7.492 -2.428 -7.543 658 HE22 GLN 88 HE22 GLN 88 -7.879 -2.025 -5.880 659 HA PRO 89 HA PRO 89 -12.960 -4.240 -11.840 660 HB2 PRO 89 HB2 PRO 89 -15.401 -5.487 -11.545 661 HB3 PRO 89 HB3 PRO 89 -13.846 -6.377 -11.618 662 HG2 PRO 89 HG2 PRO 89 -15.408 -5.530 -9.177 663 HG3 PRO 89 HG3 PRO 89 -14.723 -7.137 -9.559 664 HD2 PRO 89 HD2 PRO 89 -13.448 -5.418 -7.965 665 HD3 PRO 89 HD3 PRO 89 -12.560 -6.457 -9.116 666 H HIS 90 H HIS 90 -14.439 -2.883 -8.977 667 HA HIS 90 HA HIS 90 -16.509 -1.384 -10.399 668 HB2 HIS 90 HB2 HIS 90 -16.683 -2.120 -8.010 669 HB3 HIS 90 HB3 HIS 90 -15.375 -1.005 -7.609 670 HD1 HIS 90 HD1 HIS 90 -16.696 0.625 -6.157 671 HD2 HIS 90 HD2 HIS 90 -18.431 -0.024 -9.879 672 HE1 HIS 90 HE1 HIS 90 -18.573 2.298 -6.385 673 H LEU 91 H LEU 91 -13.096 -1.014 -9.858 674 HA LEU 91 HA LEU 91 -12.979 1.867 -9.871 675 HB2 LEU 91 HB2 LEU 91 -10.974 -0.298 -10.567 676 HB3 LEU 91 HB3 LEU 91 -10.607 1.402 -10.738 677 HG LEU 91 HG LEU 91 -11.173 -0.009 -8.110 678 HD11 LEU 91 HD11 LEU 91 -8.657 1.143 -9.361 679 HD12 LEU 91 HD12 LEU 91 -8.800 0.637 -7.672 680 HD13 LEU 91 HD13 LEU 91 -8.988 -0.558 -8.964 681 HD21 LEU 91 HD21 LEU 91 -10.618 2.895 -8.795 682 HD22 LEU 91 HD22 LEU 91 -12.035 2.220 -7.949 683 HD23 LEU 91 HD23 LEU 91 -10.448 2.199 -7.175 684 H LYS 92 H LYS 92 -14.331 2.649 -11.509 685 HA LYS 92 HA LYS 92 -13.998 1.847 -14.279 686 HB2 LYS 92 HB2 LYS 92 -15.174 4.421 -13.152 687 HB3 LYS 92 HB3 LYS 92 -15.355 3.831 -14.808 688 HG2 LYS 92 HG2 LYS 92 -16.478 2.520 -12.292 689 HG3 LYS 92 HG3 LYS 92 -17.392 3.411 -13.510 690 HD2 LYS 92 HD2 LYS 92 -17.797 1.394 -14.453 691 HD3 LYS 92 HD3 LYS 92 -16.123 1.458 -15.037 692 HE2 LYS 92 HE2 LYS 92 -15.402 0.344 -12.895 693 HE3 LYS 92 HE3 LYS 92 -17.101 0.192 -12.436 694 HZ1 LYS 92 HZ1 LYS 92 -17.438 -1.256 -14.304 695 HZ2 LYS 92 HZ2 LYS 92 -15.893 -1.029 -14.842 696 HZ3 LYS 92 HZ3 LYS 92 -16.158 -1.820 -13.418 697 H ARG 93 H ARG 93 -12.585 4.276 -12.166 698 HA ARG 93 HA ARG 93 -10.531 4.791 -14.295 699 HB2 ARG 93 HB2 ARG 93 -11.253 6.461 -11.840 700 HB3 ARG 93 HB3 ARG 93 -9.936 6.807 -12.956 701 HG2 ARG 93 HG2 ARG 93 -11.574 7.166 -14.769 702 HG3 ARG 93 HG3 ARG 93 -12.895 6.865 -13.621 703 HD2 ARG 93 HD2 ARG 93 -10.797 9.055 -13.337 704 HD3 ARG 93 HD3 ARG 93 -12.436 9.299 -13.974 705 HE ARG 93 HE ARG 93 -12.723 8.071 -11.445 706 HH11 ARG 93 HH11 ARG 93 -11.433 11.153 -12.646 707 HH12 ARG 93 HH12 ARG 93 -11.818 11.973 -11.149 708 HH21 ARG 93 HH21 ARG 93 -13.207 9.222 -9.624 709 HH22 ARG 93 HH22 ARG 93 -12.781 10.925 -9.503 710 H LYS 94 H LYS 94 -8.675 3.650 -13.734 711 HA LYS 94 HA LYS 94 -8.680 2.443 -11.034 712 HB2 LYS 94 HB2 LYS 94 -6.655 2.157 -13.290 713 HB3 LYS 94 HB3 LYS 94 -6.694 1.229 -11.785 714 HG2 LYS 94 HG2 LYS 94 -9.223 0.749 -12.725 715 HG3 LYS 94 HG3 LYS 94 -8.344 0.959 -14.250 716 HD2 LYS 94 HD2 LYS 94 -8.052 -1.310 -13.910 717 HD3 LYS 94 HD3 LYS 94 -6.605 -0.684 -13.090 718 HE2 LYS 94 HE2 LYS 94 -7.985 -0.659 -10.949 719 HE3 LYS 94 HE3 LYS 94 -9.237 -1.558 -11.829 720 HZ1 LYS 94 HZ1 LYS 94 -6.444 -2.409 -11.320 721 HZ2 LYS 94 HZ2 LYS 94 -7.793 -3.040 -10.628 722 HZ3 LYS 94 HZ3 LYS 94 -7.521 -3.271 -12.242 723 H ALA 95 H ALA 95 -8.061 3.753 -9.455 724 HA ALA 95 HA ALA 95 -6.218 5.964 -10.009 725 HB1 ALA 95 HB1 ALA 95 -6.574 6.457 -7.623 726 HB2 ALA 95 HB2 ALA 95 -8.106 6.282 -8.500 727 HB3 ALA 95 HB3 ALA 95 -7.520 4.967 -7.466 728 H PHE 96 H PHE 96 -4.060 5.834 -9.717 729 HA PHE 96 HA PHE 96 -3.105 3.646 -7.950 730 HB2 PHE 96 HB2 PHE 96 -1.098 3.481 -9.406 731 HB3 PHE 96 HB3 PHE 96 -2.589 3.031 -10.241 732 HD1 PHE 96 HD1 PHE 96 -3.497 4.396 -12.059 733 HD2 PHE 96 HD2 PHE 96 0.111 5.549 -10.009 734 HE1 PHE 96 HE1 PHE 96 -2.984 6.014 -13.882 735 HE2 PHE 96 HE2 PHE 96 0.632 7.170 -11.826 736 HZ PHE 96 HZ PHE 96 -0.909 7.401 -13.775 737 H CYS 97 H CYS 97 -1.558 4.065 -6.595 738 HA CYS 97 HA CYS 97 -0.616 6.887 -6.344 739 HB2 CYS 97 HB2 CYS 97 -1.515 4.946 -4.187 740 HB3 CYS 97 HB3 CYS 97 -0.782 6.531 -3.898 741 H SER 98 H SER 98 1.361 7.115 -5.217 742 HA SER 98 HA SER 98 2.946 4.605 -4.851 743 HB2 SER 98 HB2 SER 98 3.933 7.203 -6.095 744 HB3 SER 98 HB3 SER 98 4.955 5.830 -5.639 745 HG SER 98 HG SER 98 3.788 4.540 -7.112 746 H PHE 99 H PHE 99 3.693 4.454 -2.875 747 HA PHE 99 HA PHE 99 3.919 6.976 -1.271 748 HB2 PHE 99 HB2 PHE 99 3.202 4.171 -0.343 749 HB3 PHE 99 HB3 PHE 99 3.394 5.590 0.695 750 HD1 PHE 99 HD1 PHE 99 1.843 7.612 0.239 751 HD2 PHE 99 HD2 PHE 99 1.094 3.658 -1.278 752 HE1 PHE 99 HE1 PHE 99 -0.545 8.210 -0.120 753 HE2 PHE 99 HE2 PHE 99 -1.308 4.239 -1.610 754 HZ PHE 99 HZ PHE 99 -2.133 6.520 -1.027 755 H GLN 100 H GLN 100 5.836 7.361 -0.389 756 HA GLN 100 HA GLN 100 7.802 5.113 -0.380 757 HB2 GLN 100 HB2 GLN 100 8.337 6.700 -2.227 758 HB3 GLN 100 HB3 GLN 100 8.402 8.008 -1.031 759 HG2 GLN 100 HG2 GLN 100 10.249 6.808 0.148 760 HG3 GLN 100 HG3 GLN 100 10.212 5.559 -1.101 761 HE21 GLN 100 HE21 GLN 100 9.555 8.450 -2.620 762 HE22 GLN 100 HE22 GLN 100 11.182 8.873 -3.094 763 H ILE 101 H ILE 101 8.467 4.677 1.588 764 HA ILE 101 HA ILE 101 8.322 6.884 3.619 765 HB ILE 101 HB ILE 101 8.233 3.864 4.073 766 HG12 ILE 101 HG12 ILE 101 5.967 5.792 4.616 767 HG13 ILE 101 HG13 ILE 101 6.145 5.036 3.033 768 HG21 ILE 101 HG21 ILE 101 9.292 5.079 5.940 769 HG22 ILE 101 HG22 ILE 101 7.927 6.219 6.007 770 HG23 ILE 101 HG23 ILE 101 7.688 4.511 6.432 771 HD11 ILE 101 HD11 ILE 101 5.771 3.562 5.655 772 HD12 ILE 101 HD12 ILE 101 4.561 3.789 4.373 773 HD13 ILE 101 HD13 ILE 101 6.007 2.810 4.060 774 H TYR 102 H TYR 102 10.306 7.629 4.169 775 HA TYR 102 HA TYR 102 12.627 5.898 3.519 776 HB2 TYR 102 HB2 TYR 102 12.802 8.261 2.877 777 HB3 TYR 102 HB3 TYR 102 12.470 8.754 4.549 778 HD1 TYR 102 HD1 TYR 102 14.309 9.171 5.978 779 HD2 TYR 102 HD2 TYR 102 14.841 6.551 2.611 780 HE1 TYR 102 HE1 TYR 102 16.739 8.956 6.510 781 HE2 TYR 102 HE2 TYR 102 17.255 6.341 3.148 782 HH TYR 102 HH TYR 102 18.746 8.021 5.921 783 H ALA 103 H ALA 103 13.387 4.587 5.063 784 HA ALA 103 HA ALA 103 12.650 5.157 7.861 785 HB1 ALA 103 HB1 ALA 103 13.411 2.868 8.251 786 HB2 ALA 103 HB2 ALA 103 12.035 2.972 7.127 787 HB3 ALA 103 HB3 ALA 103 13.679 2.695 6.497 788 H VAL 104 H VAL 104 14.167 5.635 9.282 789 HA VAL 104 HA VAL 104 16.789 6.359 8.024 790 HB VAL 104 HB VAL 104 16.088 7.056 10.853 791 HG11 VAL 104 HG11 VAL 104 16.846 8.802 8.660 792 HG12 VAL 104 HG12 VAL 104 16.869 9.128 10.397 793 HG13 VAL 104 HG13 VAL 104 17.979 7.909 9.715 794 HG21 VAL 104 HG21 VAL 104 13.959 7.143 10.124 795 HG22 VAL 104 HG22 VAL 104 14.502 8.818 10.233 796 HG23 VAL 104 HG23 VAL 104 14.364 8.037 8.632 797 HA PRO 105 HA PRO 105 16.654 2.769 10.314 798 HB2 PRO 105 HB2 PRO 105 18.926 1.272 9.715 799 HB3 PRO 105 HB3 PRO 105 17.557 1.453 8.568 800 HG2 PRO 105 HG2 PRO 105 20.120 3.044 8.707 801 HG3 PRO 105 HG3 PRO 105 19.385 2.223 7.293 802 HD2 PRO 105 HD2 PRO 105 19.014 4.882 7.767 803 HD3 PRO 105 HD3 PRO 105 17.716 3.855 7.066 804 H TRP 106 H TRP 106 19.353 4.879 10.392 805 HA TRP 106 HA TRP 106 20.927 3.851 12.493 806 HB2 TRP 106 HB2 TRP 106 21.142 5.858 10.748 807 HB3 TRP 106 HB3 TRP 106 20.553 6.803 12.119 808 HD1 TRP 106 HD1 TRP 106 22.190 6.831 14.325 809 HE1 TRP 106 HE1 TRP 106 24.693 6.501 14.627 810 HE3 TRP 106 HE3 TRP 106 23.143 4.571 9.836 811 HZ2 TRP 106 HZ2 TRP 106 26.850 5.385 13.125 812 HZ3 TRP 106 HZ3 TRP 106 25.491 3.862 9.325 813 HH2 TRP 106 HH2 TRP 106 27.323 4.278 10.967 814 H GLN 107 H GLN 107 17.824 5.402 12.604 815 HA GLN 107 HA GLN 107 18.122 5.781 15.563 816 HB2 GLN 107 HB2 GLN 107 16.401 7.218 13.544 817 HB3 GLN 107 HB3 GLN 107 16.334 7.498 15.284 818 HG2 GLN 107 HG2 GLN 107 18.632 8.343 15.239 819 HG3 GLN 107 HG3 GLN 107 18.752 7.983 13.509 820 HE21 GLN 107 HE21 GLN 107 18.795 10.536 15.208 821 HE22 GLN 107 HE22 GLN 107 17.683 11.586 14.362 822 H GLY 108 H GLY 108 16.778 3.797 13.211 823 HA2 GLY 108 HA2 GLY 108 15.173 2.145 13.378 824 HA3 GLY 108 HA3 GLY 108 14.973 2.556 15.093 825 H THR 109 H THR 109 14.678 5.177 12.930 826 HA THR 109 HA THR 109 11.738 5.312 13.437 827 HB THR 109 HB THR 109 12.237 7.723 12.570 828 HG1 THR 109 HG1 THR 109 14.445 8.308 12.968 829 HG21 THR 109 HG21 THR 109 13.473 6.808 15.209 830 HG22 THR 109 HG22 THR 109 12.995 8.472 14.803 831 HG23 THR 109 HG23 THR 109 11.756 7.210 14.963 832 H MET 110 H MET 110 10.463 6.335 11.635 833 HA MET 110 HA MET 110 11.892 6.402 9.066 834 HB2 MET 110 HB2 MET 110 10.265 4.979 7.899 835 HB3 MET 110 HB3 MET 110 10.931 4.057 9.243 836 HG2 MET 110 HG2 MET 110 8.868 4.514 10.549 837 HG3 MET 110 HG3 MET 110 8.194 5.352 9.132 838 HE1 MET 110 HE1 MET 110 6.441 3.090 10.197 839 HE2 MET 110 HE2 MET 110 6.171 3.924 8.650 840 HE3 MET 110 HE3 MET 110 6.119 2.147 8.721 841 H THR 111 H THR 111 10.587 7.628 7.446 842 HA THR 111 HA THR 111 8.236 9.119 8.516 843 HB THR 111 HB THR 111 10.705 10.363 7.213 844 HG1 THR 111 HG1 THR 111 9.836 10.109 9.881 845 HG21 THR 111 HG21 THR 111 9.614 12.506 7.900 846 HG22 THR 111 HG22 THR 111 8.749 11.619 6.623 847 HG23 THR 111 HG23 THR 111 8.151 11.578 8.306 848 H LEU 112 H LEU 112 6.698 9.563 6.858 849 HA LEU 112 HA LEU 112 7.031 8.324 4.314 850 HB2 LEU 112 HB2 LEU 112 4.885 8.878 5.525 851 HB3 LEU 112 HB3 LEU 112 5.152 10.563 5.117 852 HG LEU 112 HG LEU 112 4.996 9.924 2.680 853 HD11 LEU 112 HD11 LEU 112 3.965 7.702 2.201 854 HD12 LEU 112 HD12 LEU 112 5.600 7.567 2.873 855 HD13 LEU 112 HD13 LEU 112 4.198 7.265 3.917 856 HD21 LEU 112 HD21 LEU 112 2.530 9.574 2.778 857 HD22 LEU 112 HD22 LEU 112 2.664 9.227 4.513 858 HD23 LEU 112 HD23 LEU 112 3.079 10.841 3.894 859 H SER 113 H SER 113 8.413 8.956 2.827 860 HA SER 113 HA SER 113 9.432 11.702 2.699 861 HB2 SER 113 HB2 SER 113 10.949 9.815 2.359 862 HB3 SER 113 HB3 SER 113 9.941 9.204 1.033 863 HG SER 113 HG SER 113 11.038 11.806 0.960 864 H LYS 114 H LYS 114 7.202 9.595 0.883 865 HA LYS 114 HA LYS 114 6.219 11.987 -0.531 866 HB2 LYS 114 HB2 LYS 114 7.490 11.607 -2.346 867 HB3 LYS 114 HB3 LYS 114 7.963 10.003 -1.808 868 HG2 LYS 114 HG2 LYS 114 6.050 8.968 -2.828 869 HG3 LYS 114 HG3 LYS 114 5.270 10.531 -3.130 870 HD2 LYS 114 HD2 LYS 114 7.943 9.902 -4.371 871 HD3 LYS 114 HD3 LYS 114 6.431 9.310 -5.092 872 HE2 LYS 114 HE2 LYS 114 5.550 11.646 -5.122 873 HE3 LYS 114 HE3 LYS 114 7.111 12.224 -4.504 874 HZ1 LYS 114 HZ1 LYS 114 6.965 12.426 -6.908 875 HZ2 LYS 114 HZ2 LYS 114 8.153 11.355 -6.511 876 HZ3 LYS 114 HZ3 LYS 114 6.705 10.807 -7.079 877 H SER 115 H SER 115 4.137 11.903 -1.052 878 HA SER 115 HA SER 115 2.768 9.279 -1.247 879 HB2 SER 115 HB2 SER 115 0.814 10.856 -0.186 880 HB3 SER 115 HB3 SER 115 1.817 9.767 0.794 881 HG SER 115 HG SER 115 1.808 11.881 1.656 882 H THR 116 H THR 116 2.081 9.275 -3.316 883 HA THR 116 HA THR 116 0.905 11.827 -4.344 884 HB THR 116 HB THR 116 3.216 11.592 -5.321 885 HG1 THR 116 HG1 THR 116 1.245 11.089 -7.303 886 HG21 THR 116 HG21 THR 116 3.412 9.166 -5.382 887 HG22 THR 116 HG22 THR 116 2.089 9.062 -6.567 888 HG23 THR 116 HG23 THR 116 3.616 9.852 -7.007 889 H CYS 117 H CYS 117 -0.879 11.438 -5.799 890 HA CYS 117 HA CYS 117 -1.771 8.633 -5.984 891 HB2 CYS 117 HB2 CYS 117 -2.777 10.665 -4.074 892 HB3 CYS 117 HB3 CYS 117 -4.022 9.784 -4.958 893 H GLN 118 H GLN 118 -3.924 8.406 -6.905 894 HA GLN 118 HA GLN 118 -4.608 10.545 -8.891 895 HB2 GLN 118 HB2 GLN 118 -4.400 7.539 -9.140 896 HB3 GLN 118 HB3 GLN 118 -5.437 8.462 -10.233 897 HG2 GLN 118 HG2 GLN 118 -2.541 9.218 -9.897 898 HG3 GLN 118 HG3 GLN 118 -3.001 7.860 -10.930 899 HE21 GLN 118 HE21 GLN 118 -2.585 8.654 -12.905 900 HE22 GLN 118 HE22 GLN 118 -3.358 10.072 -13.575 901 H ASP 119 H ASP 119 -6.906 10.520 -9.507 902 HA ASP 119 HA ASP 119 -8.640 9.908 -7.214 903 HB2 ASP 119 HB2 ASP 119 -8.678 12.053 -8.638 904 HB3 ASP 119 HB3 ASP 119 -9.481 11.067 -9.873 905 H ALA 120 H ALA 120 -10.583 8.660 -7.370 906 HA ALA 120 HA ALA 120 -10.505 6.554 -9.493 907 HB1 ALA 120 HB1 ALA 120 -9.885 5.697 -7.233 908 HB2 ALA 120 HB2 ALA 120 -11.425 6.313 -6.593 909 HB3 ALA 120 HB3 ALA 120 -11.421 5.013 -7.804 Start of MODEL 2 1 H1 SER 1 H1 SER 1 -4.165 -3.899 -12.021 2 H2 SER 1 H2 SER 1 -4.813 -3.380 -10.633 3 H3 SER 1 H3 SER 1 -4.671 -4.965 -10.916 4 HA SER 1 HA SER 1 -2.432 -3.086 -10.557 5 HB2 SER 1 HB2 SER 1 -3.815 -3.769 -8.502 6 HB3 SER 1 HB3 SER 1 -3.184 -5.410 -8.759 7 HG SER 1 HG SER 1 -1.750 -4.430 -7.395 8 H SER 2 H SER 2 -0.459 -4.629 -9.820 9 HA SER 2 HA SER 2 0.085 -6.327 -12.151 10 HB2 SER 2 HB2 SER 2 1.817 -4.849 -11.115 11 HB3 SER 2 HB3 SER 2 1.681 -5.768 -9.607 12 HG SER 2 HG SER 2 2.420 -6.902 -12.106 13 HA PRO 3 HA PRO 3 -1.388 -9.918 -9.997 14 HB2 PRO 3 HB2 PRO 3 -0.062 -11.975 -11.196 15 HB3 PRO 3 HB3 PRO 3 -1.295 -11.010 -12.072 16 HG2 PRO 3 HG2 PRO 3 1.697 -10.681 -12.063 17 HG3 PRO 3 HG3 PRO 3 0.588 -10.848 -13.465 18 HD2 PRO 3 HD2 PRO 3 1.408 -8.427 -12.621 19 HD3 PRO 3 HD3 PRO 3 -0.280 -8.682 -13.182 20 H GLY 4 H GLY 4 -0.583 -11.884 -8.711 21 HA2 GLY 4 HA2 GLY 4 1.330 -11.098 -6.771 22 HA3 GLY 4 HA3 GLY 4 0.712 -12.744 -7.014 23 H LYS 5 H LYS 5 3.452 -11.930 -6.319 24 HA LYS 5 HA LYS 5 4.874 -13.349 -8.460 25 HB2 LYS 5 HB2 LYS 5 6.471 -11.530 -8.876 26 HB3 LYS 5 HB3 LYS 5 4.832 -11.011 -9.268 27 HG2 LYS 5 HG2 LYS 5 4.771 -9.937 -6.915 28 HG3 LYS 5 HG3 LYS 5 6.510 -10.240 -6.852 29 HD2 LYS 5 HD2 LYS 5 6.263 -7.995 -7.585 30 HD3 LYS 5 HD3 LYS 5 6.710 -8.928 -9.023 31 HE2 LYS 5 HE2 LYS 5 4.921 -7.369 -9.604 32 HE3 LYS 5 HE3 LYS 5 4.290 -9.021 -9.677 33 HZ1 LYS 5 HZ1 LYS 5 3.357 -8.647 -7.440 34 HZ2 LYS 5 HZ2 LYS 5 3.826 -7.065 -7.501 35 HZ3 LYS 5 HZ3 LYS 5 2.715 -7.651 -8.575 36 HA PRO 6 HA PRO 6 7.141 -14.345 -4.777 37 HB2 PRO 6 HB2 PRO 6 9.500 -15.303 -5.738 38 HB3 PRO 6 HB3 PRO 6 7.960 -16.178 -6.023 39 HG2 PRO 6 HG2 PRO 6 9.409 -14.255 -7.826 40 HG3 PRO 6 HG3 PRO 6 8.809 -15.905 -8.191 41 HD2 PRO 6 HD2 PRO 6 7.391 -13.683 -8.831 42 HD3 PRO 6 HD3 PRO 6 6.582 -15.196 -8.296 43 HA PRO 7 HA PRO 7 9.745 -10.840 -4.051 44 HB2 PRO 7 HB2 PRO 7 11.592 -11.630 -2.212 45 HB3 PRO 7 HB3 PRO 7 9.854 -11.469 -1.807 46 HG2 PRO 7 HG2 PRO 7 11.393 -13.936 -2.556 47 HG3 PRO 7 HG3 PRO 7 10.303 -13.667 -1.159 48 HD2 PRO 7 HD2 PRO 7 9.462 -14.894 -3.423 49 HD3 PRO 7 HD3 PRO 7 8.382 -13.808 -2.485 50 H ARG 8 H ARG 8 11.851 -9.911 -4.494 51 HA ARG 8 HA ARG 8 13.743 -11.697 -5.978 52 HB2 ARG 8 HB2 ARG 8 12.249 -10.788 -7.665 53 HB3 ARG 8 HB3 ARG 8 12.414 -9.170 -6.995 54 HG2 ARG 8 HG2 ARG 8 15.039 -10.098 -7.664 55 HG3 ARG 8 HG3 ARG 8 13.958 -10.378 -9.048 56 HD2 ARG 8 HD2 ARG 8 13.166 -8.053 -8.912 57 HD3 ARG 8 HD3 ARG 8 14.207 -7.771 -7.507 58 HE ARG 8 HE ARG 8 15.796 -8.699 -9.679 59 HH11 ARG 8 HH11 ARG 8 14.036 -5.803 -8.633 60 HH12 ARG 8 HH12 ARG 8 15.063 -4.747 -9.579 61 HH21 ARG 8 HH21 ARG 8 17.063 -7.280 -10.829 62 HH22 ARG 8 HH22 ARG 8 16.750 -5.568 -10.783 63 H LEU 9 H LEU 9 15.575 -11.469 -4.855 64 HA LEU 9 HA LEU 9 16.162 -8.894 -3.541 65 HB2 LEU 9 HB2 LEU 9 17.882 -11.393 -3.647 66 HB3 LEU 9 HB3 LEU 9 18.015 -10.068 -2.501 67 HG LEU 9 HG LEU 9 15.793 -12.142 -2.610 68 HD11 LEU 9 HD11 LEU 9 16.798 -12.959 -0.524 69 HD12 LEU 9 HD12 LEU 9 17.972 -13.007 -1.854 70 HD13 LEU 9 HD13 LEU 9 18.066 -11.716 -0.630 71 HD21 LEU 9 HD21 LEU 9 16.254 -9.864 -0.656 72 HD22 LEU 9 HD22 LEU 9 14.860 -10.090 -1.741 73 HD23 LEU 9 HD23 LEU 9 15.123 -11.212 -0.398 74 H VAL 10 H VAL 10 17.922 -7.688 -3.750 75 HA VAL 10 HA VAL 10 19.377 -8.009 -6.326 76 HB VAL 10 HB VAL 10 18.378 -5.267 -5.556 77 HG11 VAL 10 HG11 VAL 10 18.327 -5.011 -7.945 78 HG12 VAL 10 HG12 VAL 10 19.887 -5.659 -7.394 79 HG13 VAL 10 HG13 VAL 10 18.683 -6.749 -8.128 80 HG21 VAL 10 HG21 VAL 10 16.272 -6.494 -5.363 81 HG22 VAL 10 HG22 VAL 10 16.264 -5.576 -6.864 82 HG23 VAL 10 HG23 VAL 10 16.567 -7.331 -6.897 83 H GLY 11 H GLY 11 19.984 -8.550 -3.542 84 HA2 GLY 11 HA2 GLY 11 21.977 -8.201 -2.301 85 HA3 GLY 11 HA3 GLY 11 22.207 -6.636 -3.129 86 H GLY 12 H GLY 12 22.115 -5.106 -1.518 87 HA2 GLY 12 HA2 GLY 12 20.531 -5.291 0.829 88 HA3 GLY 12 HA3 GLY 12 21.172 -3.789 0.132 89 HA PRO 13 HA PRO 13 17.057 -2.930 -1.165 90 HB2 PRO 13 HB2 PRO 13 16.915 -2.431 -3.846 91 HB3 PRO 13 HB3 PRO 13 17.723 -1.301 -2.714 92 HG2 PRO 13 HG2 PRO 13 18.948 -3.436 -4.438 93 HG3 PRO 13 HG3 PRO 13 19.416 -1.714 -4.274 94 HD2 PRO 13 HD2 PRO 13 20.695 -3.672 -2.927 95 HD3 PRO 13 HD3 PRO 13 20.399 -2.063 -2.180 96 H MET 14 H MET 14 15.156 -4.025 -1.776 97 HA MET 14 HA MET 14 15.393 -6.333 -3.594 98 HB2 MET 14 HB2 MET 14 14.454 -7.897 -1.960 99 HB3 MET 14 HB3 MET 14 16.034 -7.283 -1.458 100 HG2 MET 14 HG2 MET 14 14.854 -5.629 0.007 101 HG3 MET 14 HG3 MET 14 13.332 -6.427 -0.410 102 HE1 MET 14 HE1 MET 14 16.655 -6.463 1.565 103 HE2 MET 14 HE2 MET 14 16.745 -8.102 2.251 104 HE3 MET 14 HE3 MET 14 17.034 -7.844 0.516 105 H ASP 15 H ASP 15 13.466 -7.027 -4.484 106 HA ASP 15 HA ASP 15 11.092 -5.290 -3.964 107 HB2 ASP 15 HB2 ASP 15 11.690 -7.467 -6.021 108 HB3 ASP 15 HB3 ASP 15 10.105 -6.710 -5.840 109 H ALA 16 H ALA 16 9.522 -6.155 -2.566 110 HA ALA 16 HA ALA 16 9.931 -8.994 -1.641 111 HB1 ALA 16 HB1 ALA 16 9.152 -6.478 -0.178 112 HB2 ALA 16 HB2 ALA 16 8.849 -8.106 0.469 113 HB3 ALA 16 HB3 ALA 16 10.515 -7.574 0.145 114 H SER 17 H SER 17 7.979 -10.015 -0.963 115 HA SER 17 HA SER 17 5.821 -9.573 -2.913 116 HB2 SER 17 HB2 SER 17 5.382 -11.368 -0.577 117 HB3 SER 17 HB3 SER 17 5.102 -11.666 -2.306 118 HG SER 17 HG SER 17 7.321 -12.133 -0.727 119 H VAL 18 H VAL 18 3.562 -9.100 -2.195 120 HA VAL 18 HA VAL 18 3.554 -6.955 -0.284 121 HB VAL 18 HB VAL 18 1.223 -6.672 -0.790 122 HG11 VAL 18 HG11 VAL 18 2.881 -6.217 -2.646 123 HG12 VAL 18 HG12 VAL 18 2.463 -7.804 -3.335 124 HG13 VAL 18 HG13 VAL 18 1.223 -6.541 -3.201 125 HG21 VAL 18 HG21 VAL 18 0.432 -8.989 -0.485 126 HG22 VAL 18 HG22 VAL 18 -0.125 -8.333 -2.033 127 HG23 VAL 18 HG23 VAL 18 1.233 -9.478 -1.995 128 H GLU 19 H GLU 19 3.213 -10.323 -0.170 129 HA GLU 19 HA GLU 19 1.762 -10.559 2.308 130 HB2 GLU 19 HB2 GLU 19 3.562 -12.426 0.723 131 HB3 GLU 19 HB3 GLU 19 2.663 -12.900 2.170 132 HG2 GLU 19 HG2 GLU 19 1.246 -13.599 0.476 133 HG3 GLU 19 HG3 GLU 19 0.570 -12.027 0.942 134 H GLU 20 H GLU 20 5.169 -9.963 1.474 135 HA GLU 20 HA GLU 20 6.184 -10.868 3.896 136 HB2 GLU 20 HB2 GLU 20 7.246 -8.892 1.981 137 HB3 GLU 20 HB3 GLU 20 7.852 -8.806 3.643 138 HG2 GLU 20 HG2 GLU 20 9.223 -10.220 2.761 139 HG3 GLU 20 HG3 GLU 20 7.971 -11.236 3.533 140 H GLU 21 H GLU 21 6.699 -10.401 5.743 141 HA GLU 21 HA GLU 21 4.969 -8.658 6.843 142 HB2 GLU 21 HB2 GLU 21 7.396 -9.923 8.048 143 HB3 GLU 21 HB3 GLU 21 6.311 -8.902 9.001 144 HG2 GLU 21 HG2 GLU 21 5.581 -11.489 7.593 145 HG3 GLU 21 HG3 GLU 21 5.743 -11.238 9.339 146 H GLY 22 H GLY 22 8.180 -8.205 5.768 147 HA2 GLY 22 HA2 GLY 22 8.625 -5.637 6.982 148 HA3 GLY 22 HA3 GLY 22 9.479 -6.295 5.571 149 H VAL 23 H VAL 23 6.745 -6.714 4.192 150 HA VAL 23 HA VAL 23 6.513 -3.963 3.175 151 HB VAL 23 HB VAL 23 5.273 -6.622 2.305 152 HG11 VAL 23 HG11 VAL 23 3.706 -5.018 1.676 153 HG12 VAL 23 HG12 VAL 23 4.958 -3.869 1.137 154 HG13 VAL 23 HG13 VAL 23 4.646 -5.374 0.234 155 HG21 VAL 23 HG21 VAL 23 6.719 -6.320 0.331 156 HG22 VAL 23 HG22 VAL 23 7.407 -4.862 1.081 157 HG23 VAL 23 HG23 VAL 23 7.637 -6.463 1.838 158 H ARG 24 H ARG 24 4.376 -6.483 4.617 159 HA ARG 24 HA ARG 24 1.964 -5.094 4.437 160 HB2 ARG 24 HB2 ARG 24 2.968 -6.950 6.625 161 HB3 ARG 24 HB3 ARG 24 1.293 -6.404 6.474 162 HG2 ARG 24 HG2 ARG 24 1.157 -7.452 4.220 163 HG3 ARG 24 HG3 ARG 24 2.818 -8.034 4.397 164 HD2 ARG 24 HD2 ARG 24 1.275 -9.831 4.900 165 HD3 ARG 24 HD3 ARG 24 2.155 -9.344 6.371 166 HE ARG 24 HE ARG 24 -0.502 -8.133 5.871 167 HH11 ARG 24 HH11 ARG 24 1.420 -10.403 7.819 168 HH12 ARG 24 HH12 ARG 24 0.168 -10.515 9.030 169 HH21 ARG 24 HH21 ARG 24 -2.004 -8.327 7.478 170 HH22 ARG 24 HH22 ARG 24 -1.717 -9.368 8.846 171 H ARG 25 H ARG 25 4.341 -4.848 7.129 172 HA ARG 25 HA ARG 25 2.760 -2.992 8.613 173 HB2 ARG 25 HB2 ARG 25 4.773 -2.406 9.778 174 HB3 ARG 25 HB3 ARG 25 4.694 -4.157 9.553 175 HG2 ARG 25 HG2 ARG 25 6.869 -3.968 8.920 176 HG3 ARG 25 HG3 ARG 25 6.213 -3.447 7.355 177 HD2 ARG 25 HD2 ARG 25 7.960 -1.896 8.112 178 HD3 ARG 25 HD3 ARG 25 6.401 -1.069 8.085 179 HE ARG 25 HE ARG 25 7.872 -1.962 10.521 180 HH11 ARG 25 HH11 ARG 25 5.293 0.046 9.127 181 HH12 ARG 25 HH12 ARG 25 5.085 0.934 10.609 182 HH21 ARG 25 HH21 ARG 25 7.500 -0.791 12.367 183 HH22 ARG 25 HH22 ARG 25 6.295 0.467 12.396 184 H ALA 26 H ALA 26 4.759 -2.444 5.799 185 HA ALA 26 HA ALA 26 4.953 0.426 6.238 186 HB1 ALA 26 HB1 ALA 26 5.750 -1.239 3.802 187 HB2 ALA 26 HB2 ALA 26 6.292 0.401 4.220 188 HB3 ALA 26 HB3 ALA 26 6.816 -0.977 5.205 189 H LEU 27 H LEU 27 3.078 -2.021 4.510 190 HA LEU 27 HA LEU 27 1.779 -0.227 2.686 191 HB2 LEU 27 HB2 LEU 27 0.664 -2.771 3.951 192 HB3 LEU 27 HB3 LEU 27 -0.015 -1.915 2.584 193 HG LEU 27 HG LEU 27 2.420 -3.669 2.686 194 HD11 LEU 27 HD11 LEU 27 0.216 -4.655 2.224 195 HD12 LEU 27 HD12 LEU 27 -0.000 -3.540 0.856 196 HD13 LEU 27 HD13 LEU 27 1.292 -4.764 0.819 197 HD21 LEU 27 HD21 LEU 27 1.770 -1.538 0.637 198 HD22 LEU 27 HD22 LEU 27 3.277 -1.786 1.548 199 HD23 LEU 27 HD23 LEU 27 2.810 -2.942 0.296 200 H ASP 28 H ASP 28 0.830 -1.586 5.871 201 HA ASP 28 HA ASP 28 -1.621 -0.073 5.955 202 HB2 ASP 28 HB2 ASP 28 0.033 -1.438 8.122 203 HB3 ASP 28 HB3 ASP 28 -1.555 -0.705 8.406 204 H PHE 29 H PHE 29 1.685 0.474 7.130 205 HA PHE 29 HA PHE 29 1.134 2.849 8.616 206 HB2 PHE 29 HB2 PHE 29 3.286 1.601 8.684 207 HB3 PHE 29 HB3 PHE 29 3.604 2.078 7.014 208 HD1 PHE 29 HD1 PHE 29 3.846 3.031 10.503 209 HD2 PHE 29 HD2 PHE 29 3.883 4.607 6.501 210 HE1 PHE 29 HE1 PHE 29 4.944 5.113 11.329 211 HE2 PHE 29 HE2 PHE 29 4.978 6.681 7.317 212 HZ PHE 29 HZ PHE 29 5.511 6.941 9.732 213 H ALA 30 H ALA 30 1.977 2.271 5.134 214 HA ALA 30 HA ALA 30 2.038 5.033 4.427 215 HB1 ALA 30 HB1 ALA 30 1.655 4.299 2.125 216 HB2 ALA 30 HB2 ALA 30 2.762 3.172 2.941 217 HB3 ALA 30 HB3 ALA 30 1.055 2.729 2.696 218 H VAL 31 H VAL 31 -0.841 2.884 4.434 219 HA VAL 31 HA VAL 31 -2.615 4.830 3.175 220 HB VAL 31 HB VAL 31 -3.769 2.886 5.088 221 HG11 VAL 31 HG11 VAL 31 -5.185 3.980 3.606 222 HG12 VAL 31 HG12 VAL 31 -4.294 3.310 2.212 223 HG13 VAL 31 HG13 VAL 31 -5.197 2.233 3.312 224 HG21 VAL 31 HG21 VAL 31 -3.281 0.936 3.854 225 HG22 VAL 31 HG22 VAL 31 -2.045 1.887 2.975 226 HG23 VAL 31 HG23 VAL 31 -1.968 1.731 4.762 227 H GLY 32 H GLY 32 -1.729 3.644 6.396 228 HA2 GLY 32 HA2 GLY 32 -3.788 4.954 7.823 229 HA3 GLY 32 HA3 GLY 32 -2.232 4.427 8.490 230 H GLU 33 H GLU 33 -0.643 5.884 6.587 231 HA GLU 33 HA GLU 33 -0.767 8.439 8.157 232 HB2 GLU 33 HB2 GLU 33 1.307 7.152 7.916 233 HB3 GLU 33 HB3 GLU 33 1.314 7.475 6.182 234 HG2 GLU 33 HG2 GLU 33 2.071 9.575 6.449 235 HG3 GLU 33 HG3 GLU 33 1.102 9.851 7.902 236 H TYR 34 H TYR 34 -1.417 7.276 4.997 237 HA TYR 34 HA TYR 34 -1.452 9.957 3.974 238 HB2 TYR 34 HB2 TYR 34 -0.539 8.248 2.524 239 HB3 TYR 34 HB3 TYR 34 -2.099 7.411 2.496 240 HD1 TYR 34 HD1 TYR 34 -0.622 10.819 1.809 241 HD2 TYR 34 HD2 TYR 34 -3.606 7.914 0.738 242 HE1 TYR 34 HE1 TYR 34 -1.349 12.257 -0.096 243 HE2 TYR 34 HE2 TYR 34 -4.328 9.357 -1.160 244 HH TYR 34 HH TYR 34 -2.822 12.531 -1.808 245 H ASN 35 H ASN 35 -3.740 7.344 3.998 246 HA ASN 35 HA ASN 35 -5.959 9.042 3.130 247 HB2 ASN 35 HB2 ASN 35 -5.467 6.098 3.640 248 HB3 ASN 35 HB3 ASN 35 -7.128 6.702 3.465 249 HD21 ASN 35 HD21 ASN 35 -4.826 5.190 1.824 250 HD22 ASN 35 HD22 ASN 35 -5.132 5.796 0.214 251 H LYS 36 H LYS 36 -5.255 6.915 5.908 252 HA LYS 36 HA LYS 36 -7.670 7.672 7.336 253 HB2 LYS 36 HB2 LYS 36 -6.628 5.539 7.749 254 HB3 LYS 36 HB3 LYS 36 -5.087 6.315 8.056 255 HG2 LYS 36 HG2 LYS 36 -7.281 7.053 9.915 256 HG3 LYS 36 HG3 LYS 36 -6.647 5.399 10.034 257 HD2 LYS 36 HD2 LYS 36 -4.584 6.083 10.790 258 HD3 LYS 36 HD3 LYS 36 -4.584 7.524 9.776 259 HE2 LYS 36 HE2 LYS 36 -4.631 8.195 12.099 260 HE3 LYS 36 HE3 LYS 36 -6.144 8.655 11.297 261 HZ1 LYS 36 HZ1 LYS 36 -6.545 7.689 13.457 262 HZ2 LYS 36 HZ2 LYS 36 -7.187 6.722 12.285 263 HZ3 LYS 36 HZ3 LYS 36 -5.780 6.289 13.033 264 H ALA 37 H ALA 37 -4.374 8.900 7.166 265 HA ALA 37 HA ALA 37 -4.552 10.462 9.575 266 HB1 ALA 37 HB1 ALA 37 -2.820 11.053 7.223 267 HB2 ALA 37 HB2 ALA 37 -2.525 11.413 8.933 268 HB3 ALA 37 HB3 ALA 37 -2.456 9.726 8.356 269 H SER 38 H SER 38 -5.321 10.840 6.147 270 HA SER 38 HA SER 38 -6.113 13.656 6.393 271 HB2 SER 38 HB2 SER 38 -6.681 11.570 4.249 272 HB3 SER 38 HB3 SER 38 -7.114 13.288 4.139 273 HG SER 38 HG SER 38 -4.590 12.059 4.059 274 H ASN 39 H ASN 39 -8.327 14.412 6.093 275 HA ASN 39 HA ASN 39 -10.231 12.755 7.648 276 HB2 ASN 39 HB2 ASN 39 -9.700 15.206 8.116 277 HB3 ASN 39 HB3 ASN 39 -10.596 15.569 6.634 278 HD21 ASN 39 HD21 ASN 39 -12.573 16.268 7.100 279 HD22 ASN 39 HD22 ASN 39 -13.597 15.650 8.372 280 H ASP 40 H ASP 40 -9.992 11.511 5.350 281 HA ASP 40 HA ASP 40 -11.625 12.515 3.204 282 HB2 ASP 40 HB2 ASP 40 -9.890 10.664 3.037 283 HB3 ASP 40 HB3 ASP 40 -11.076 9.590 3.796 284 H MET 41 H MET 41 -13.724 12.529 2.911 285 HA MET 41 HA MET 41 -15.592 11.804 4.998 286 HB2 MET 41 HB2 MET 41 -16.011 12.466 2.053 287 HB3 MET 41 HB3 MET 41 -17.287 12.403 3.276 288 HG2 MET 41 HG2 MET 41 -16.219 14.262 4.500 289 HG3 MET 41 HG3 MET 41 -14.947 14.343 3.269 290 HE1 MET 41 HE1 MET 41 -16.731 15.766 0.132 291 HE2 MET 41 HE2 MET 41 -15.180 15.393 0.920 292 HE3 MET 41 HE3 MET 41 -16.284 14.075 0.459 293 H TYR 42 H TYR 42 -14.199 10.236 2.221 294 HA TYR 42 HA TYR 42 -16.238 8.053 2.345 295 HB2 TYR 42 HB2 TYR 42 -14.123 8.669 0.251 296 HB3 TYR 42 HB3 TYR 42 -15.389 7.439 0.137 297 HD1 TYR 42 HD1 TYR 42 -14.527 10.929 -0.402 298 HD2 TYR 42 HD2 TYR 42 -17.844 8.216 0.042 299 HE1 TYR 42 HE1 TYR 42 -16.053 12.610 -1.440 300 HE2 TYR 42 HE2 TYR 42 -19.361 9.912 -0.986 301 HH TYR 42 HH TYR 42 -18.197 13.104 -2.068 302 H HIS 43 H HIS 43 -15.332 5.823 2.129 303 HA HIS 43 HA HIS 43 -12.847 5.619 3.726 304 HB2 HIS 43 HB2 HIS 43 -14.869 3.605 2.698 305 HB3 HIS 43 HB3 HIS 43 -13.361 3.136 3.496 306 HD1 HIS 43 HD1 HIS 43 -15.770 5.920 4.588 307 HD2 HIS 43 HD2 HIS 43 -14.231 2.288 5.899 308 HE1 HIS 43 HE1 HIS 43 -16.604 5.599 6.942 309 H SER 44 H SER 44 -11.031 5.859 2.583 310 HA SER 44 HA SER 44 -10.853 4.534 -0.096 311 HB2 SER 44 HB2 SER 44 -9.423 7.029 0.920 312 HB3 SER 44 HB3 SER 44 -9.133 6.238 -0.643 313 HG SER 44 HG SER 44 -11.056 8.006 0.080 314 H ARG 45 H ARG 45 -9.007 3.293 -0.429 315 HA ARG 45 HA ARG 45 -6.994 3.205 1.723 316 HB2 ARG 45 HB2 ARG 45 -7.278 0.858 2.211 317 HB3 ARG 45 HB3 ARG 45 -8.820 1.666 2.497 318 HG2 ARG 45 HG2 ARG 45 -9.691 0.804 0.347 319 HG3 ARG 45 HG3 ARG 45 -8.124 0.045 0.009 320 HD2 ARG 45 HD2 ARG 45 -8.366 -1.303 2.104 321 HD3 ARG 45 HD3 ARG 45 -9.983 -0.613 2.317 322 HE ARG 45 HE ARG 45 -10.797 -1.921 0.557 323 HH11 ARG 45 HH11 ARG 45 -7.285 -2.377 0.784 324 HH12 ARG 45 HH12 ARG 45 -7.316 -3.764 -0.271 325 HH21 ARG 45 HH21 ARG 45 -10.729 -3.708 -0.769 326 HH22 ARG 45 HH22 ARG 45 -9.212 -4.495 -1.119 327 H ALA 46 H ALA 46 -5.267 1.624 1.166 328 HA ALA 46 HA ALA 46 -4.562 1.703 -1.653 329 HB1 ALA 46 HB1 ALA 46 -2.781 -0.034 -0.772 330 HB2 ALA 46 HB2 ALA 46 -2.682 1.612 -0.095 331 HB3 ALA 46 HB3 ALA 46 -3.436 0.315 0.865 332 H LEU 47 H LEU 47 -6.053 0.602 -2.942 333 HA LEU 47 HA LEU 47 -7.674 -1.539 -1.947 334 HB2 LEU 47 HB2 LEU 47 -6.977 -0.510 -4.682 335 HB3 LEU 47 HB3 LEU 47 -7.747 -2.064 -4.531 336 HG LEU 47 HG LEU 47 -8.967 0.582 -3.730 337 HD11 LEU 47 HD11 LEU 47 -9.377 -1.434 -5.989 338 HD12 LEU 47 HD12 LEU 47 -10.398 -0.008 -5.705 339 HD13 LEU 47 HD13 LEU 47 -8.687 0.202 -6.140 340 HD21 LEU 47 HD21 LEU 47 -11.046 -0.874 -3.535 341 HD22 LEU 47 HD22 LEU 47 -9.974 -2.299 -3.594 342 HD23 LEU 47 HD23 LEU 47 -9.844 -1.129 -2.258 343 H GLN 48 H GLN 48 -4.756 -1.404 -3.905 344 HA GLN 48 HA GLN 48 -4.046 -4.148 -3.267 345 HB2 GLN 48 HB2 GLN 48 -5.858 -4.266 -5.051 346 HB3 GLN 48 HB3 GLN 48 -4.797 -3.352 -6.120 347 HG2 GLN 48 HG2 GLN 48 -4.680 -5.754 -6.602 348 HG3 GLN 48 HG3 GLN 48 -3.118 -5.152 -6.022 349 HE21 GLN 48 HE21 GLN 48 -5.963 -7.050 -5.195 350 HE22 GLN 48 HE22 GLN 48 -5.222 -7.876 -3.839 351 H VAL 49 H VAL 49 -1.835 -4.353 -3.490 352 HA VAL 49 HA VAL 49 -0.427 -1.917 -4.306 353 HB VAL 49 HB VAL 49 0.300 -4.357 -2.733 354 HG11 VAL 49 HG11 VAL 49 2.694 -3.856 -2.873 355 HG12 VAL 49 HG12 VAL 49 2.063 -4.393 -4.432 356 HG13 VAL 49 HG13 VAL 49 2.383 -2.663 -4.143 357 HG21 VAL 49 HG21 VAL 49 1.305 -2.690 -1.253 358 HG22 VAL 49 HG22 VAL 49 1.083 -1.364 -2.438 359 HG23 VAL 49 HG23 VAL 49 -0.325 -2.160 -1.667 360 H VAL 50 H VAL 50 0.801 -1.617 -6.029 361 HA VAL 50 HA VAL 50 0.647 -3.627 -8.198 362 HB VAL 50 HB VAL 50 1.836 -0.803 -8.241 363 HG11 VAL 50 HG11 VAL 50 1.548 -0.954 -10.678 364 HG12 VAL 50 HG12 VAL 50 2.546 -2.307 -10.107 365 HG13 VAL 50 HG13 VAL 50 0.837 -2.575 -10.519 366 HG21 VAL 50 HG21 VAL 50 -0.306 -0.079 -9.287 367 HG22 VAL 50 HG22 VAL 50 -0.995 -1.681 -8.952 368 HG23 VAL 50 HG23 VAL 50 -0.523 -0.614 -7.614 369 H ARG 51 H ARG 51 3.007 -1.772 -6.235 370 HA ARG 51 HA ARG 51 5.076 -3.851 -6.819 371 HB2 ARG 51 HB2 ARG 51 5.703 -0.888 -6.787 372 HB3 ARG 51 HB3 ARG 51 6.784 -2.196 -7.228 373 HG2 ARG 51 HG2 ARG 51 4.368 -1.361 -8.876 374 HG3 ARG 51 HG3 ARG 51 5.999 -0.733 -9.111 375 HD2 ARG 51 HD2 ARG 51 6.824 -3.018 -9.551 376 HD3 ARG 51 HD3 ARG 51 5.169 -3.637 -9.371 377 HE ARG 51 HE ARG 51 5.139 -1.531 -11.271 378 HH11 ARG 51 HH11 ARG 51 6.376 -4.826 -11.033 379 HH12 ARG 51 HH12 ARG 51 6.279 -5.088 -12.754 380 HH21 ARG 51 HH21 ARG 51 5.034 -1.937 -13.456 381 HH22 ARG 51 HH22 ARG 51 5.534 -3.476 -14.099 382 H ALA 52 H ALA 52 6.355 -4.269 -4.995 383 HA ALA 52 HA ALA 52 6.242 -2.338 -2.745 384 HB1 ALA 52 HB1 ALA 52 6.077 -4.378 -1.225 385 HB2 ALA 52 HB2 ALA 52 4.583 -3.907 -2.045 386 HB3 ALA 52 HB3 ALA 52 5.530 -5.295 -2.644 387 H ARG 53 H ARG 53 8.268 -1.851 -2.318 388 HA ARG 53 HA ARG 53 10.299 -3.978 -2.323 389 HB2 ARG 53 HB2 ARG 53 11.796 -2.712 -3.849 390 HB3 ARG 53 HB3 ARG 53 10.415 -3.445 -4.635 391 HG2 ARG 53 HG2 ARG 53 10.425 -0.574 -3.881 392 HG3 ARG 53 HG3 ARG 53 11.141 -1.158 -5.381 393 HD2 ARG 53 HD2 ARG 53 8.925 -2.283 -5.863 394 HD3 ARG 53 HD3 ARG 53 8.269 -1.376 -4.500 395 HE ARG 53 HE ARG 53 8.112 0.499 -5.792 396 HH11 ARG 53 HH11 ARG 53 10.293 -1.742 -7.463 397 HH12 ARG 53 HH12 ARG 53 10.314 -0.762 -8.908 398 HH21 ARG 53 HH21 ARG 53 8.122 1.631 -7.655 399 HH22 ARG 53 HH22 ARG 53 9.130 1.146 -9.003 400 H LYS 54 H LYS 54 12.413 -3.073 -1.665 401 HA LYS 54 HA LYS 54 12.134 -0.561 -0.180 402 HB2 LYS 54 HB2 LYS 54 12.947 -1.684 1.941 403 HB3 LYS 54 HB3 LYS 54 11.286 -2.042 1.494 404 HG2 LYS 54 HG2 LYS 54 13.443 -3.974 0.621 405 HG3 LYS 54 HG3 LYS 54 12.997 -3.950 2.319 406 HD2 LYS 54 HD2 LYS 54 11.028 -4.492 0.014 407 HD3 LYS 54 HD3 LYS 54 11.766 -5.735 1.015 408 HE2 LYS 54 HE2 LYS 54 9.903 -3.543 1.987 409 HE3 LYS 54 HE3 LYS 54 9.499 -5.251 1.730 410 HZ1 LYS 54 HZ1 LYS 54 11.526 -4.289 3.656 411 HZ2 LYS 54 HZ2 LYS 54 9.987 -4.735 4.054 412 HZ3 LYS 54 HZ3 LYS 54 11.044 -5.853 3.449 413 H GLN 55 H GLN 55 14.047 0.396 0.287 414 HA GLN 55 HA GLN 55 16.470 -0.762 -1.021 415 HB2 GLN 55 HB2 GLN 55 15.578 1.464 -1.771 416 HB3 GLN 55 HB3 GLN 55 15.750 2.049 -0.115 417 HG2 GLN 55 HG2 GLN 55 18.194 1.739 -0.256 418 HG3 GLN 55 HG3 GLN 55 18.016 1.163 -1.922 419 HE21 GLN 55 HE21 GLN 55 19.547 3.006 -2.270 420 HE22 GLN 55 HE22 GLN 55 18.849 4.584 -2.547 421 H ILE 56 H ILE 56 18.231 -1.220 0.298 422 HA ILE 56 HA ILE 56 18.040 -0.395 3.162 423 HB ILE 56 HB ILE 56 18.978 -3.079 2.111 424 HG12 ILE 56 HG12 ILE 56 16.530 -2.170 3.679 425 HG13 ILE 56 HG13 ILE 56 16.546 -2.861 2.055 426 HG21 ILE 56 HG21 ILE 56 19.333 -3.655 4.501 427 HG22 ILE 56 HG22 ILE 56 20.315 -2.250 4.082 428 HG23 ILE 56 HG23 ILE 56 18.805 -2.029 4.996 429 HD11 ILE 56 HD11 ILE 56 17.088 -4.224 4.667 430 HD12 ILE 56 HD12 ILE 56 15.802 -4.545 3.487 431 HD13 ILE 56 HD13 ILE 56 17.487 -4.957 3.093 432 H GLY 57 H GLY 57 19.880 0.528 3.930 433 HA2 GLY 57 HA2 GLY 57 22.520 0.081 2.960 434 HA3 GLY 57 HA3 GLY 57 21.841 1.552 2.199 435 H ALA 58 H ALA 58 23.102 3.049 3.469 436 HA ALA 58 HA ALA 58 23.285 2.947 6.317 437 HB1 ALA 58 HB1 ALA 58 24.764 4.355 4.910 438 HB2 ALA 58 HB2 ALA 58 23.369 5.366 4.447 439 HB3 ALA 58 HB3 ALA 58 23.926 5.334 6.136 440 H GLY 59 H GLY 59 20.752 3.940 4.145 441 HA2 GLY 59 HA2 GLY 59 19.023 4.566 6.487 442 HA3 GLY 59 HA3 GLY 59 18.928 5.498 4.966 443 H VAL 60 H VAL 60 16.708 3.956 5.931 444 HA VAL 60 HA VAL 60 16.686 1.740 3.908 445 HB VAL 60 HB VAL 60 15.237 1.900 6.592 446 HG11 VAL 60 HG11 VAL 60 15.095 -0.236 4.412 447 HG12 VAL 60 HG12 VAL 60 14.379 -0.376 6.036 448 HG13 VAL 60 HG13 VAL 60 13.776 0.853 4.909 449 HG21 VAL 60 HG21 VAL 60 16.554 -0.131 7.150 450 HG22 VAL 60 HG22 VAL 60 17.406 0.006 5.594 451 HG23 VAL 60 HG23 VAL 60 17.600 1.266 6.833 452 H ASN 61 H ASN 61 15.126 1.967 2.358 453 HA ASN 61 HA ASN 61 13.093 4.117 2.836 454 HB2 ASN 61 HB2 ASN 61 15.230 4.767 1.503 455 HB3 ASN 61 HB3 ASN 61 14.556 3.774 0.207 456 HD21 ASN 61 HD21 ASN 61 14.855 6.046 -0.694 457 HD22 ASN 61 HD22 ASN 61 13.433 7.062 -0.624 458 H TYR 62 H TYR 62 11.135 3.280 2.623 459 HA TYR 62 HA TYR 62 10.787 0.776 1.062 460 HB2 TYR 62 HB2 TYR 62 8.901 2.389 2.816 461 HB3 TYR 62 HB3 TYR 62 8.474 0.886 2.004 462 HD1 TYR 62 HD1 TYR 62 9.175 -1.269 2.866 463 HD2 TYR 62 HD2 TYR 62 10.495 2.369 4.755 464 HE1 TYR 62 HE1 TYR 62 9.937 -2.563 4.862 465 HE2 TYR 62 HE2 TYR 62 11.250 1.049 6.735 466 HH TYR 62 HH TYR 62 10.847 -2.474 6.960 467 H PHE 63 H PHE 63 9.686 0.678 -0.885 468 HA PHE 63 HA PHE 63 8.317 3.209 -1.781 469 HB2 PHE 63 HB2 PHE 63 9.879 1.209 -3.426 470 HB3 PHE 63 HB3 PHE 63 8.922 2.525 -4.094 471 HD1 PHE 63 HD1 PHE 63 11.975 1.662 -2.132 472 HD2 PHE 63 HD2 PHE 63 9.780 4.775 -4.139 473 HE1 PHE 63 HE1 PHE 63 13.972 3.138 -2.016 474 HE2 PHE 63 HE2 PHE 63 11.784 6.253 -4.034 475 HZ PHE 63 HZ PHE 63 13.885 5.429 -2.985 476 H LEU 64 H LEU 64 6.197 2.816 -1.726 477 HA LEU 64 HA LEU 64 5.239 0.054 -2.421 478 HB2 LEU 64 HB2 LEU 64 3.972 2.080 -0.545 479 HB3 LEU 64 HB3 LEU 64 3.332 0.504 -0.951 480 HG LEU 64 HG LEU 64 4.071 0.188 1.167 481 HD11 LEU 64 HD11 LEU 64 5.991 -1.253 1.212 482 HD12 LEU 64 HD12 LEU 64 5.180 -1.503 -0.349 483 HD13 LEU 64 HD13 LEU 64 6.662 -0.521 -0.259 484 HD21 LEU 64 HD21 LEU 64 6.550 1.846 0.616 485 HD22 LEU 64 HD22 LEU 64 5.082 2.394 1.455 486 HD23 LEU 64 HD23 LEU 64 6.087 1.123 2.166 487 H ASP 65 H ASP 65 4.162 0.074 -4.282 488 HA ASP 65 HA ASP 65 2.711 2.622 -5.013 489 HB2 ASP 65 HB2 ASP 65 3.874 0.473 -6.876 490 HB3 ASP 65 HB3 ASP 65 3.096 1.978 -7.377 491 H VAL 66 H VAL 66 0.892 2.601 -5.606 492 HA VAL 66 HA VAL 66 -0.747 0.239 -5.196 493 HB VAL 66 HB VAL 66 0.016 1.952 -3.066 494 HG11 VAL 66 HG11 VAL 66 -2.990 1.705 -3.548 495 HG12 VAL 66 HG12 VAL 66 -2.169 2.425 -2.136 496 HG13 VAL 66 HG13 VAL 66 -2.064 3.227 -3.701 497 HG21 VAL 66 HG21 VAL 66 -1.987 -0.182 -3.146 498 HG22 VAL 66 HG22 VAL 66 -0.249 -0.349 -3.279 499 HG23 VAL 66 HG23 VAL 66 -0.904 0.365 -1.825 500 H GLU 67 H GLU 67 -2.735 0.101 -5.638 501 HA GLU 67 HA GLU 67 -3.771 2.188 -7.461 502 HB2 GLU 67 HB2 GLU 67 -4.177 -0.706 -7.076 503 HB3 GLU 67 HB3 GLU 67 -5.657 0.210 -7.397 504 HG2 GLU 67 HG2 GLU 67 -4.765 1.079 -9.453 505 HG3 GLU 67 HG3 GLU 67 -3.177 0.363 -9.116 506 H LEU 68 H LEU 68 -5.338 3.547 -6.883 507 HA LEU 68 HA LEU 68 -6.536 3.239 -4.184 508 HB2 LEU 68 HB2 LEU 68 -6.141 5.487 -6.098 509 HB3 LEU 68 HB3 LEU 68 -7.543 5.559 -5.039 510 HG LEU 68 HG LEU 68 -4.639 5.543 -4.222 511 HD11 LEU 68 HD11 LEU 68 -5.241 7.810 -3.408 512 HD12 LEU 68 HD12 LEU 68 -5.604 7.655 -5.139 513 HD13 LEU 68 HD13 LEU 68 -6.918 7.567 -3.942 514 HD21 LEU 68 HD21 LEU 68 -7.125 5.466 -2.465 515 HD22 LEU 68 HD22 LEU 68 -5.788 4.289 -2.496 516 HD23 LEU 68 HD23 LEU 68 -5.508 5.934 -1.898 517 H GLY 69 H GLY 69 -8.700 3.672 -3.770 518 HA2 GLY 69 HA2 GLY 69 -10.737 3.939 -5.701 519 HA3 GLY 69 HA3 GLY 69 -10.570 2.206 -5.304 520 H ARG 70 H ARG 70 -12.847 3.779 -4.572 521 HA ARG 70 HA ARG 70 -12.530 4.064 -1.605 522 HB2 ARG 70 HB2 ARG 70 -14.637 5.010 -3.585 523 HB3 ARG 70 HB3 ARG 70 -14.894 5.031 -1.835 524 HG2 ARG 70 HG2 ARG 70 -13.090 6.577 -1.498 525 HG3 ARG 70 HG3 ARG 70 -12.598 6.469 -3.195 526 HD2 ARG 70 HD2 ARG 70 -15.277 7.553 -2.228 527 HD3 ARG 70 HD3 ARG 70 -13.882 8.557 -2.654 528 HE ARG 70 HE ARG 70 -15.713 7.191 -4.473 529 HH11 ARG 70 HH11 ARG 70 -12.489 8.640 -4.243 530 HH12 ARG 70 HH12 ARG 70 -12.371 8.814 -5.991 531 HH21 ARG 70 HH21 ARG 70 -15.449 7.494 -6.676 532 HH22 ARG 70 HH22 ARG 70 -13.962 8.189 -7.298 533 H THR 71 H THR 71 -13.933 2.820 -0.273 534 HA THR 71 HA THR 71 -14.779 0.320 -1.609 535 HB THR 71 HB THR 71 -15.212 -0.465 0.747 536 HG1 THR 71 HG1 THR 71 -15.585 1.343 1.911 537 HG21 THR 71 HG21 THR 71 -12.984 -0.786 -0.333 538 HG22 THR 71 HG22 THR 71 -12.451 0.771 0.356 539 HG23 THR 71 HG23 THR 71 -12.873 -0.581 1.430 540 H THR 72 H THR 72 -16.893 -0.422 -1.699 541 HA THR 72 HA THR 72 -18.930 1.638 -1.808 542 HB THR 72 HB THR 72 -20.463 -0.447 -2.037 543 HG1 THR 72 HG1 THR 72 -18.000 -1.790 -2.489 544 HG21 THR 72 HG21 THR 72 -19.617 -0.944 -4.319 545 HG22 THR 72 HG22 THR 72 -19.700 0.801 -3.993 546 HG23 THR 72 HG23 THR 72 -18.132 -0.040 -3.955 547 H CYS 73 H CYS 73 -17.753 -0.374 0.729 548 HA CYS 73 HA CYS 73 -20.117 0.366 2.402 549 HB2 CYS 73 HB2 CYS 73 -18.344 -2.077 2.615 550 HB3 CYS 73 HB3 CYS 73 -19.684 -1.674 3.692 551 H THR 74 H THR 74 -19.504 0.242 4.790 552 HA THR 74 HA THR 74 -17.057 1.853 5.122 553 HB THR 74 HB THR 74 -18.101 2.863 6.996 554 HG1 THR 74 HG1 THR 74 -19.782 1.866 8.100 555 HG21 THR 74 HG21 THR 74 -19.404 3.263 4.813 556 HG22 THR 74 HG22 THR 74 -20.604 2.118 5.492 557 HG23 THR 74 HG23 THR 74 -20.208 3.617 6.357 558 H LYS 75 H LYS 75 -16.222 1.729 7.358 559 HA LYS 75 HA LYS 75 -15.155 -0.817 7.993 560 HB2 LYS 75 HB2 LYS 75 -14.326 0.391 10.015 561 HB3 LYS 75 HB3 LYS 75 -14.110 1.339 8.533 562 HG2 LYS 75 HG2 LYS 75 -16.351 2.519 9.107 563 HG3 LYS 75 HG3 LYS 75 -16.218 1.764 10.706 564 HD2 LYS 75 HD2 LYS 75 -14.070 2.866 11.083 565 HD3 LYS 75 HD3 LYS 75 -14.087 3.501 9.423 566 HE2 LYS 75 HE2 LYS 75 -16.213 4.725 9.968 567 HE3 LYS 75 HE3 LYS 75 -16.019 4.219 11.662 568 HZ1 LYS 75 HZ1 LYS 75 -15.106 6.431 11.272 569 HZ2 LYS 75 HZ2 LYS 75 -13.890 5.396 11.686 570 HZ3 LYS 75 HZ3 LYS 75 -14.082 5.859 10.114 571 H THR 76 H THR 76 -18.106 0.622 8.960 572 HA THR 76 HA THR 76 -18.485 -1.267 11.207 573 HB THR 76 HB THR 76 -20.620 0.182 10.971 574 HG1 THR 76 HG1 THR 76 -20.139 2.277 10.384 575 HG21 THR 76 HG21 THR 76 -19.230 0.080 13.033 576 HG22 THR 76 HG22 THR 76 -18.038 1.155 12.266 577 HG23 THR 76 HG23 THR 76 -19.656 1.769 12.679 578 H GLN 77 H GLN 77 -19.458 -0.703 8.129 579 HA GLN 77 HA GLN 77 -22.110 -1.591 8.007 580 HB2 GLN 77 HB2 GLN 77 -19.891 -1.485 6.028 581 HB3 GLN 77 HB3 GLN 77 -21.315 -2.426 5.593 582 HG2 GLN 77 HG2 GLN 77 -21.539 0.400 6.620 583 HG3 GLN 77 HG3 GLN 77 -21.254 0.051 4.907 584 HE21 GLN 77 HE21 GLN 77 -23.604 0.784 7.065 585 HE22 GLN 77 HE22 GLN 77 -24.965 0.058 6.247 586 HA PRO 78 HA PRO 78 -22.378 -5.768 8.911 587 HB2 PRO 78 HB2 PRO 78 -24.078 -6.167 6.466 588 HB3 PRO 78 HB3 PRO 78 -24.459 -6.494 8.185 589 HG2 PRO 78 HG2 PRO 78 -25.522 -4.397 6.975 590 HG3 PRO 78 HG3 PRO 78 -24.870 -4.239 8.639 591 HD2 PRO 78 HD2 PRO 78 -23.573 -3.468 6.018 592 HD3 PRO 78 HD3 PRO 78 -23.727 -2.512 7.526 593 H ASN 79 H ASN 79 -21.128 -5.230 5.642 594 HA ASN 79 HA ASN 79 -20.261 -8.090 5.632 595 HB2 ASN 79 HB2 ASN 79 -21.352 -6.529 3.269 596 HB3 ASN 79 HB3 ASN 79 -20.695 -8.173 3.208 597 HD21 ASN 79 HD21 ASN 79 -21.744 -9.672 4.937 598 HD22 ASN 79 HD22 ASN 79 -23.488 -9.594 4.974 599 H LEU 80 H LEU 80 -18.301 -6.763 6.557 600 HA LEU 80 HA LEU 80 -16.668 -5.346 4.681 601 HB2 LEU 80 HB2 LEU 80 -16.194 -6.614 7.341 602 HB3 LEU 80 HB3 LEU 80 -14.797 -6.261 6.333 603 HG LEU 80 HG LEU 80 -15.636 -3.881 6.143 604 HD11 LEU 80 HD11 LEU 80 -17.372 -4.767 8.470 605 HD12 LEU 80 HD12 LEU 80 -17.050 -3.086 8.004 606 HD13 LEU 80 HD13 LEU 80 -17.924 -4.147 6.896 607 HD21 LEU 80 HD21 LEU 80 -13.733 -4.552 7.502 608 HD22 LEU 80 HD22 LEU 80 -14.666 -3.293 8.342 609 HD23 LEU 80 HD23 LEU 80 -14.812 -4.990 8.852 610 H ASP 81 H ASP 81 -17.342 -8.708 4.699 611 HA ASP 81 HA ASP 81 -14.727 -9.422 3.563 612 HB2 ASP 81 HB2 ASP 81 -17.182 -11.127 3.282 613 HB3 ASP 81 HB3 ASP 81 -15.526 -11.618 3.661 614 H ASN 82 H ASN 82 -18.043 -8.879 2.526 615 HA ASN 82 HA ASN 82 -17.467 -9.754 -0.200 616 HB2 ASN 82 HB2 ASN 82 -19.597 -10.256 1.084 617 HB3 ASN 82 HB3 ASN 82 -20.045 -8.558 0.847 618 HD21 ASN 82 HD21 ASN 82 -21.514 -8.415 -0.722 619 HD22 ASN 82 HD22 ASN 82 -21.455 -9.294 -2.233 620 H CYS 83 H CYS 83 -18.100 -6.629 1.418 621 HA CYS 83 HA CYS 83 -18.531 -5.233 -1.039 622 HB2 CYS 83 HB2 CYS 83 -17.399 -4.132 1.543 623 HB3 CYS 83 HB3 CYS 83 -18.088 -3.203 0.203 624 HA PRO 84 HA PRO 84 -14.000 -4.191 -1.271 625 HB2 PRO 84 HB2 PRO 84 -12.070 -5.590 0.058 626 HB3 PRO 84 HB3 PRO 84 -12.844 -4.110 0.710 627 HG2 PRO 84 HG2 PRO 84 -13.478 -6.969 1.265 628 HG3 PRO 84 HG3 PRO 84 -13.228 -5.610 2.411 629 HD2 PRO 84 HD2 PRO 84 -15.689 -6.433 1.683 630 HD3 PRO 84 HD3 PRO 84 -15.318 -4.699 1.970 631 H PHE 85 H PHE 85 -14.911 -7.614 -0.798 632 HA PHE 85 HA PHE 85 -13.181 -8.749 -2.763 633 HB2 PHE 85 HB2 PHE 85 -14.598 -10.109 -1.284 634 HB3 PHE 85 HB3 PHE 85 -16.049 -9.428 -2.020 635 HD1 PHE 85 HD1 PHE 85 -13.053 -11.535 -2.762 636 HD2 PHE 85 HD2 PHE 85 -17.021 -10.360 -3.946 637 HE1 PHE 85 HE1 PHE 85 -13.068 -13.337 -4.485 638 HE2 PHE 85 HE2 PHE 85 -17.049 -12.154 -5.668 639 HZ PHE 85 HZ PHE 85 -15.069 -13.648 -5.947 640 H HIS 86 H HIS 86 -16.383 -7.148 -3.035 641 HA HIS 86 HA HIS 86 -16.373 -7.421 -5.952 642 HB2 HIS 86 HB2 HIS 86 -18.169 -6.171 -3.891 643 HB3 HIS 86 HB3 HIS 86 -18.344 -5.729 -5.592 644 HD1 HIS 86 HD1 HIS 86 -19.057 -7.661 -7.273 645 HD2 HIS 86 HD2 HIS 86 -19.148 -8.680 -3.242 646 HE1 HIS 86 HE1 HIS 86 -20.401 -9.790 -7.094 647 H ASP 87 H ASP 87 -15.316 -4.969 -3.648 648 HA ASP 87 HA ASP 87 -15.578 -2.690 -5.303 649 HB2 ASP 87 HB2 ASP 87 -13.566 -3.344 -3.126 650 HB3 ASP 87 HB3 ASP 87 -13.584 -1.794 -3.971 651 H GLN 88 H GLN 88 -12.674 -4.861 -4.953 652 HA GLN 88 HA GLN 88 -11.116 -3.388 -6.799 653 HB2 GLN 88 HB2 GLN 88 -11.103 -6.241 -5.941 654 HB3 GLN 88 HB3 GLN 88 -10.201 -5.812 -7.401 655 HG2 GLN 88 HG2 GLN 88 -9.783 -3.966 -5.276 656 HG3 GLN 88 HG3 GLN 88 -9.350 -5.627 -4.832 657 HE21 GLN 88 HE21 GLN 88 -8.428 -2.811 -6.523 658 HE22 GLN 88 HE22 GLN 88 -7.014 -3.458 -7.319 659 HA PRO 89 HA PRO 89 -12.367 -5.771 -10.365 660 HB2 PRO 89 HB2 PRO 89 -14.822 -7.104 -10.554 661 HB3 PRO 89 HB3 PRO 89 -13.268 -7.911 -10.139 662 HG2 PRO 89 HG2 PRO 89 -15.422 -6.872 -8.299 663 HG3 PRO 89 HG3 PRO 89 -14.581 -8.451 -8.260 664 HD2 PRO 89 HD2 PRO 89 -13.847 -6.449 -6.667 665 HD3 PRO 89 HD3 PRO 89 -12.632 -7.525 -7.423 666 H HIS 90 H HIS 90 -15.024 -4.385 -8.445 667 HA HIS 90 HA HIS 90 -16.528 -3.447 -10.740 668 HB2 HIS 90 HB2 HIS 90 -16.573 -2.795 -7.802 669 HB3 HIS 90 HB3 HIS 90 -17.646 -2.016 -8.973 670 HD1 HIS 90 HD1 HIS 90 -19.581 -3.218 -7.452 671 HD2 HIS 90 HD2 HIS 90 -17.183 -5.720 -9.749 672 HE1 HIS 90 HE1 HIS 90 -20.790 -5.430 -7.620 673 H LEU 91 H LEU 91 -13.804 -2.136 -8.882 674 HA LEU 91 HA LEU 91 -14.118 0.550 -9.991 675 HB2 LEU 91 HB2 LEU 91 -11.921 -0.896 -8.543 676 HB3 LEU 91 HB3 LEU 91 -11.513 0.530 -9.464 677 HG LEU 91 HG LEU 91 -11.634 1.101 -7.179 678 HD11 LEU 91 HD11 LEU 91 -12.422 2.732 -8.891 679 HD12 LEU 91 HD12 LEU 91 -14.100 2.228 -8.561 680 HD13 LEU 91 HD13 LEU 91 -13.133 2.997 -7.288 681 HD21 LEU 91 HD21 LEU 91 -13.759 1.092 -5.888 682 HD22 LEU 91 HD22 LEU 91 -14.473 0.060 -7.149 683 HD23 LEU 91 HD23 LEU 91 -13.080 -0.512 -6.204 684 H LYS 92 H LYS 92 -14.554 0.039 -12.204 685 HA LYS 92 HA LYS 92 -12.604 -1.359 -13.827 686 HB2 LYS 92 HB2 LYS 92 -15.159 -0.031 -14.199 687 HB3 LYS 92 HB3 LYS 92 -14.029 0.489 -15.449 688 HG2 LYS 92 HG2 LYS 92 -15.336 -1.455 -16.204 689 HG3 LYS 92 HG3 LYS 92 -13.613 -1.831 -16.115 690 HD2 LYS 92 HD2 LYS 92 -14.862 -3.734 -15.268 691 HD3 LYS 92 HD3 LYS 92 -13.985 -2.998 -13.928 692 HE2 LYS 92 HE2 LYS 92 -16.165 -3.568 -13.129 693 HE3 LYS 92 HE3 LYS 92 -16.106 -1.805 -13.267 694 HZ1 LYS 92 HZ1 LYS 92 -17.294 -2.003 -15.373 695 HZ2 LYS 92 HZ2 LYS 92 -17.356 -3.644 -15.222 696 HZ3 LYS 92 HZ3 LYS 92 -18.161 -2.686 -14.147 697 H ARG 93 H ARG 93 -13.104 2.012 -12.868 698 HA ARG 93 HA ARG 93 -10.730 2.893 -14.386 699 HB2 ARG 93 HB2 ARG 93 -12.702 4.442 -13.871 700 HB3 ARG 93 HB3 ARG 93 -12.259 4.322 -12.162 701 HG2 ARG 93 HG2 ARG 93 -9.943 5.189 -12.843 702 HG3 ARG 93 HG3 ARG 93 -10.652 5.561 -14.422 703 HD2 ARG 93 HD2 ARG 93 -12.348 6.991 -13.258 704 HD3 ARG 93 HD3 ARG 93 -11.521 6.648 -11.723 705 HE ARG 93 HE ARG 93 -9.713 7.666 -13.741 706 HH11 ARG 93 HH11 ARG 93 -12.025 8.719 -11.266 707 HH12 ARG 93 HH12 ARG 93 -11.269 10.305 -11.159 708 HH21 ARG 93 HH21 ARG 93 -8.865 9.703 -13.524 709 HH22 ARG 93 HH22 ARG 93 -9.537 10.825 -12.363 710 H LYS 94 H LYS 94 -8.686 2.834 -13.496 711 HA LYS 94 HA LYS 94 -8.485 2.355 -10.549 712 HB2 LYS 94 HB2 LYS 94 -6.858 1.131 -12.818 713 HB3 LYS 94 HB3 LYS 94 -6.287 1.190 -11.152 714 HG2 LYS 94 HG2 LYS 94 -8.779 -0.269 -12.105 715 HG3 LYS 94 HG3 LYS 94 -7.222 -1.003 -11.678 716 HD2 LYS 94 HD2 LYS 94 -7.545 0.153 -9.366 717 HD3 LYS 94 HD3 LYS 94 -9.237 0.343 -9.857 718 HE2 LYS 94 HE2 LYS 94 -7.681 -2.253 -9.568 719 HE3 LYS 94 HE3 LYS 94 -8.987 -1.669 -8.525 720 HZ1 LYS 94 HZ1 LYS 94 -9.941 -3.231 -9.959 721 HZ2 LYS 94 HZ2 LYS 94 -10.411 -1.775 -10.570 722 HZ3 LYS 94 HZ3 LYS 94 -9.200 -2.614 -11.303 723 H ALA 95 H ALA 95 -6.900 3.516 -9.556 724 HA ALA 95 HA ALA 95 -5.535 5.613 -11.202 725 HB1 ALA 95 HB1 ALA 95 -6.670 5.848 -8.408 726 HB2 ALA 95 HB2 ALA 95 -5.955 7.142 -9.395 727 HB3 ALA 95 HB3 ALA 95 -7.504 6.419 -9.870 728 H PHE 96 H PHE 96 -3.413 6.154 -10.277 729 HA PHE 96 HA PHE 96 -2.515 4.074 -8.344 730 HB2 PHE 96 HB2 PHE 96 -0.369 3.997 -9.534 731 HB3 PHE 96 HB3 PHE 96 -1.724 3.507 -10.559 732 HD1 PHE 96 HD1 PHE 96 -2.460 4.904 -12.452 733 HD2 PHE 96 HD2 PHE 96 0.871 6.071 -9.985 734 HE1 PHE 96 HE1 PHE 96 -1.798 6.597 -14.155 735 HE2 PHE 96 HE2 PHE 96 1.543 7.761 -11.686 736 HZ PHE 96 HZ PHE 96 0.204 8.033 -13.773 737 H CYS 97 H CYS 97 -1.277 4.579 -6.760 738 HA CYS 97 HA CYS 97 -0.188 7.354 -6.504 739 HB2 CYS 97 HB2 CYS 97 -1.033 5.399 -4.344 740 HB3 CYS 97 HB3 CYS 97 -0.317 6.994 -4.076 741 H SER 98 H SER 98 1.764 7.552 -5.294 742 HA SER 98 HA SER 98 3.361 5.039 -5.046 743 HB2 SER 98 HB2 SER 98 4.079 6.319 -7.090 744 HB3 SER 98 HB3 SER 98 4.439 7.706 -6.044 745 HG SER 98 HG SER 98 5.594 5.097 -5.910 746 H PHE 99 H PHE 99 3.798 4.765 -2.993 747 HA PHE 99 HA PHE 99 4.027 7.203 -1.261 748 HB2 PHE 99 HB2 PHE 99 3.226 4.352 -0.559 749 HB3 PHE 99 HB3 PHE 99 3.391 5.685 0.587 750 HD1 PHE 99 HD1 PHE 99 2.002 7.891 -0.185 751 HD2 PHE 99 HD2 PHE 99 1.057 3.831 -1.236 752 HE1 PHE 99 HE1 PHE 99 -0.350 8.564 -0.627 753 HE2 PHE 99 HE2 PHE 99 -1.314 4.491 -1.636 754 HZ PHE 99 HZ PHE 99 -2.019 6.862 -1.343 755 H GLN 100 H GLN 100 5.884 7.491 -0.206 756 HA GLN 100 HA GLN 100 7.877 5.250 -0.289 757 HB2 GLN 100 HB2 GLN 100 8.322 7.025 -2.007 758 HB3 GLN 100 HB3 GLN 100 8.407 8.191 -0.687 759 HG2 GLN 100 HG2 GLN 100 10.290 6.940 0.277 760 HG3 GLN 100 HG3 GLN 100 10.283 5.899 -1.158 761 HE21 GLN 100 HE21 GLN 100 11.907 8.324 0.160 762 HE22 GLN 100 HE22 GLN 100 12.344 9.251 -1.260 763 H ILE 101 H ILE 101 8.343 4.686 1.759 764 HA ILE 101 HA ILE 101 8.040 6.790 3.877 765 HB ILE 101 HB ILE 101 8.097 3.752 4.176 766 HG12 ILE 101 HG12 ILE 101 5.706 5.551 4.628 767 HG13 ILE 101 HG13 ILE 101 6.019 4.806 3.056 768 HG21 ILE 101 HG21 ILE 101 7.493 5.944 6.216 769 HG22 ILE 101 HG22 ILE 101 7.430 4.195 6.519 770 HG23 ILE 101 HG23 ILE 101 8.976 4.966 6.147 771 HD11 ILE 101 HD11 ILE 101 4.426 3.504 4.371 772 HD12 ILE 101 HD12 ILE 101 5.903 2.584 4.035 773 HD13 ILE 101 HD13 ILE 101 5.635 3.280 5.645 774 H TYR 102 H TYR 102 9.955 7.629 4.572 775 HA TYR 102 HA TYR 102 12.377 5.984 4.052 776 HB2 TYR 102 HB2 TYR 102 12.532 8.363 3.473 777 HB3 TYR 102 HB3 TYR 102 12.075 8.809 5.129 778 HD1 TYR 102 HD1 TYR 102 13.766 9.098 6.770 779 HD2 TYR 102 HD2 TYR 102 14.662 6.834 3.220 780 HE1 TYR 102 HE1 TYR 102 16.152 8.919 7.474 781 HE2 TYR 102 HE2 TYR 102 17.043 6.657 3.940 782 HH TYR 102 HH TYR 102 18.229 8.122 6.970 783 H ALA 103 H ALA 103 13.213 4.754 5.659 784 HA ALA 103 HA ALA 103 12.122 5.159 8.372 785 HB1 ALA 103 HB1 ALA 103 13.011 2.919 8.780 786 HB2 ALA 103 HB2 ALA 103 11.730 2.976 7.546 787 HB3 ALA 103 HB3 ALA 103 13.430 2.820 7.052 788 H VAL 104 H VAL 104 13.428 5.696 9.970 789 HA VAL 104 HA VAL 104 16.106 6.637 9.017 790 HB VAL 104 HB VAL 104 15.049 7.224 11.766 791 HG11 VAL 104 HG11 VAL 104 16.986 8.235 10.865 792 HG12 VAL 104 HG12 VAL 104 15.931 9.058 9.679 793 HG13 VAL 104 HG13 VAL 104 15.718 9.361 11.412 794 HG21 VAL 104 HG21 VAL 104 13.417 8.884 10.980 795 HG22 VAL 104 HG22 VAL 104 13.522 8.122 9.368 796 HG23 VAL 104 HG23 VAL 104 13.010 7.175 10.790 797 HA PRO 105 HA PRO 105 15.993 3.006 11.187 798 HB2 PRO 105 HB2 PRO 105 18.416 1.674 10.832 799 HB3 PRO 105 HB3 PRO 105 17.177 1.805 9.539 800 HG2 PRO 105 HG2 PRO 105 19.605 3.544 10.003 801 HG3 PRO 105 HG3 PRO 105 19.071 2.739 8.491 802 HD2 PRO 105 HD2 PRO 105 18.497 5.355 9.025 803 HD3 PRO 105 HD3 PRO 105 17.356 4.290 8.135 804 H TRP 106 H TRP 106 18.581 5.220 11.674 805 HA TRP 106 HA TRP 106 19.894 4.209 13.945 806 HB2 TRP 106 HB2 TRP 106 20.510 6.149 12.431 807 HB3 TRP 106 HB3 TRP 106 19.300 7.117 13.291 808 HD1 TRP 106 HD1 TRP 106 20.156 8.295 15.447 809 HE1 TRP 106 HE1 TRP 106 22.225 8.231 16.920 810 HE3 TRP 106 HE3 TRP 106 22.443 4.275 13.264 811 HZ2 TRP 106 HZ2 TRP 106 24.581 6.635 17.146 812 HZ3 TRP 106 HZ3 TRP 106 24.642 3.503 14.182 813 HH2 TRP 106 HH2 TRP 106 25.691 4.684 16.112 814 H GLN 107 H GLN 107 16.810 5.884 13.677 815 HA GLN 107 HA GLN 107 16.699 6.137 16.647 816 HB2 GLN 107 HB2 GLN 107 15.139 7.457 14.422 817 HB3 GLN 107 HB3 GLN 107 14.820 7.710 16.141 818 HG2 GLN 107 HG2 GLN 107 17.058 8.673 16.418 819 HG3 GLN 107 HG3 GLN 107 17.415 8.374 14.709 820 HE21 GLN 107 HE21 GLN 107 16.710 10.772 16.738 821 HE22 GLN 107 HE22 GLN 107 15.812 11.824 15.670 822 H GLY 108 H GLY 108 15.715 4.061 14.179 823 HA2 GLY 108 HA2 GLY 108 14.239 2.280 14.252 824 HA3 GLY 108 HA3 GLY 108 13.874 2.693 15.939 825 H THR 109 H THR 109 13.581 5.205 13.630 826 HA THR 109 HA THR 109 10.600 5.112 13.858 827 HB THR 109 HB THR 109 11.001 7.578 13.047 828 HG1 THR 109 HG1 THR 109 13.052 8.350 13.661 829 HG21 THR 109 HG21 THR 109 11.943 6.740 15.830 830 HG22 THR 109 HG22 THR 109 11.382 8.363 15.360 831 HG23 THR 109 HG23 THR 109 10.247 6.997 15.356 832 H MET 110 H MET 110 9.458 6.045 11.935 833 HA MET 110 HA MET 110 11.133 6.305 9.537 834 HB2 MET 110 HB2 MET 110 9.656 4.808 8.189 835 HB3 MET 110 HB3 MET 110 10.466 3.924 9.472 836 HG2 MET 110 HG2 MET 110 8.392 3.934 10.803 837 HG3 MET 110 HG3 MET 110 7.566 4.795 9.491 838 HE1 MET 110 HE1 MET 110 9.174 0.409 9.222 839 HE2 MET 110 HE2 MET 110 10.291 1.786 9.272 840 HE3 MET 110 HE3 MET 110 9.264 1.428 10.679 841 H THR 111 H THR 111 9.862 7.470 7.829 842 HA THR 111 HA THR 111 7.299 8.706 8.721 843 HB THR 111 HB THR 111 9.791 10.240 7.842 844 HG1 THR 111 HG1 THR 111 8.590 9.715 10.327 845 HG21 THR 111 HG21 THR 111 7.876 11.382 7.036 846 HG22 THR 111 HG22 THR 111 7.005 11.148 8.578 847 HG23 THR 111 HG23 THR 111 8.420 12.226 8.503 848 H LEU 112 H LEU 112 5.923 9.202 6.950 849 HA LEU 112 HA LEU 112 6.609 8.162 4.375 850 HB2 LEU 112 HB2 LEU 112 4.322 8.502 5.392 851 HB3 LEU 112 HB3 LEU 112 4.505 10.224 5.096 852 HG LEU 112 HG LEU 112 4.575 9.755 2.643 853 HD11 LEU 112 HD11 LEU 112 3.993 6.930 3.598 854 HD12 LEU 112 HD12 LEU 112 3.867 7.490 1.909 855 HD13 LEU 112 HD13 LEU 112 5.438 7.475 2.727 856 HD21 LEU 112 HD21 LEU 112 2.461 10.334 3.761 857 HD22 LEU 112 HD22 LEU 112 2.163 9.123 2.497 858 HD23 LEU 112 HD23 LEU 112 2.199 8.631 4.200 859 H SER 113 H SER 113 8.154 8.970 3.139 860 HA SER 113 HA SER 113 8.986 11.779 3.312 861 HB2 SER 113 HB2 SER 113 10.640 9.974 3.137 862 HB3 SER 113 HB3 SER 113 9.913 9.430 1.614 863 HG SER 113 HG SER 113 10.429 12.011 1.352 864 H LYS 114 H LYS 114 7.056 9.746 1.178 865 HA LYS 114 HA LYS 114 6.369 12.148 -0.422 866 HB2 LYS 114 HB2 LYS 114 8.274 11.125 -1.656 867 HB3 LYS 114 HB3 LYS 114 7.420 9.591 -1.649 868 HG2 LYS 114 HG2 LYS 114 5.540 11.127 -2.877 869 HG3 LYS 114 HG3 LYS 114 7.019 11.922 -3.427 870 HD2 LYS 114 HD2 LYS 114 6.580 8.914 -3.547 871 HD3 LYS 114 HD3 LYS 114 6.113 10.003 -4.863 872 HE2 LYS 114 HE2 LYS 114 8.252 10.426 -5.493 873 HE3 LYS 114 HE3 LYS 114 8.895 10.288 -3.842 874 HZ1 LYS 114 HZ1 LYS 114 9.514 8.453 -5.415 875 HZ2 LYS 114 HZ2 LYS 114 8.868 7.959 -3.986 876 HZ3 LYS 114 HZ3 LYS 114 7.945 7.934 -5.360 877 H SER 115 H SER 115 4.284 12.150 -0.920 878 HA SER 115 HA SER 115 2.864 9.566 -1.247 879 HB2 SER 115 HB2 SER 115 0.999 11.390 -0.191 880 HB3 SER 115 HB3 SER 115 1.669 9.966 0.630 881 HG SER 115 HG SER 115 1.995 11.916 1.824 882 H THR 116 H THR 116 2.521 9.679 -3.408 883 HA THR 116 HA THR 116 1.274 12.226 -4.401 884 HB THR 116 HB THR 116 3.635 12.075 -5.251 885 HG1 THR 116 HG1 THR 116 3.017 12.461 -7.377 886 HG21 THR 116 HG21 THR 116 3.823 9.616 -5.336 887 HG22 THR 116 HG22 THR 116 2.662 9.586 -6.685 888 HG23 THR 116 HG23 THR 116 4.241 10.387 -6.878 889 H CYS 117 H CYS 117 -0.393 11.857 -5.972 890 HA CYS 117 HA CYS 117 -1.275 9.052 -6.247 891 HB2 CYS 117 HB2 CYS 117 -2.500 11.135 -4.483 892 HB3 CYS 117 HB3 CYS 117 -3.591 10.072 -5.369 893 H GLN 118 H GLN 118 -3.437 8.905 -7.267 894 HA GLN 118 HA GLN 118 -4.000 11.049 -9.266 895 HB2 GLN 118 HB2 GLN 118 -3.750 8.036 -9.673 896 HB3 GLN 118 HB3 GLN 118 -4.544 9.112 -10.839 897 HG2 GLN 118 HG2 GLN 118 -1.652 9.418 -9.970 898 HG3 GLN 118 HG3 GLN 118 -2.159 8.470 -11.369 899 HE21 GLN 118 HE21 GLN 118 -1.801 11.691 -10.038 900 HE22 GLN 118 HE22 GLN 118 -2.023 12.528 -11.562 901 H ASP 119 H ASP 119 -6.326 11.044 -9.777 902 HA ASP 119 HA ASP 119 -7.866 10.163 -7.436 903 HB2 ASP 119 HB2 ASP 119 -9.640 11.519 -8.317 904 HB3 ASP 119 HB3 ASP 119 -8.131 12.441 -8.422 905 H ALA 120 H ALA 120 -9.790 8.955 -7.522 906 HA ALA 120 HA ALA 120 -10.085 7.170 -9.895 907 HB1 ALA 120 HB1 ALA 120 -9.003 5.952 -7.974 908 HB2 ALA 120 HB2 ALA 120 -10.372 6.411 -6.939 909 HB3 ALA 120 HB3 ALA 120 -10.629 5.328 -8.327 Start of MODEL 3 1 H1 SER 1 H1 SER 1 17.852 5.390 -22.802 2 H2 SER 1 H2 SER 1 17.901 6.786 -23.617 3 H3 SER 1 H3 SER 1 17.391 5.438 -24.351 4 HA SER 1 HA SER 1 15.999 6.795 -22.128 5 HB2 SER 1 HB2 SER 1 14.237 7.163 -23.934 6 HB3 SER 1 HB3 SER 1 15.741 8.084 -24.145 7 HG SER 1 HG SER 1 14.938 6.940 -26.059 8 H SER 2 H SER 2 13.540 5.933 -22.312 9 HA SER 2 HA SER 2 12.247 4.146 -21.644 10 HB2 SER 2 HB2 SER 2 11.869 2.554 -23.542 11 HB3 SER 2 HB3 SER 2 11.787 4.274 -23.974 12 HG SER 2 HG SER 2 14.013 2.549 -24.363 13 HA PRO 3 HA PRO 3 15.616 1.209 -20.356 14 HB2 PRO 3 HB2 PRO 3 15.199 1.245 -17.671 15 HB3 PRO 3 HB3 PRO 3 16.208 2.482 -18.503 16 HG2 PRO 3 HG2 PRO 3 13.316 2.632 -17.675 17 HG3 PRO 3 HG3 PRO 3 14.638 3.805 -17.362 18 HD2 PRO 3 HD2 PRO 3 12.906 4.150 -19.399 19 HD3 PRO 3 HD3 PRO 3 14.649 4.555 -19.585 20 H GLY 4 H GLY 4 12.178 1.304 -19.878 21 HA2 GLY 4 HA2 GLY 4 10.797 -0.604 -19.920 22 HA3 GLY 4 HA3 GLY 4 12.215 -1.609 -19.569 23 H LYS 5 H LYS 5 10.611 -2.619 -18.061 24 HA LYS 5 HA LYS 5 10.889 -1.333 -15.395 25 HB2 LYS 5 HB2 LYS 5 8.500 -1.944 -14.889 26 HB3 LYS 5 HB3 LYS 5 8.717 -0.603 -16.008 27 HG2 LYS 5 HG2 LYS 5 8.040 -1.852 -17.888 28 HG3 LYS 5 HG3 LYS 5 8.283 -3.401 -17.080 29 HD2 LYS 5 HD2 LYS 5 6.135 -1.381 -16.315 30 HD3 LYS 5 HD3 LYS 5 5.874 -2.764 -17.389 31 HE2 LYS 5 HE2 LYS 5 6.641 -2.865 -14.437 32 HE3 LYS 5 HE3 LYS 5 5.085 -3.321 -15.148 33 HZ1 LYS 5 HZ1 LYS 5 6.361 -5.282 -14.716 34 HZ2 LYS 5 HZ2 LYS 5 6.299 -5.101 -16.354 35 HZ3 LYS 5 HZ3 LYS 5 7.680 -4.711 -15.529 36 HA PRO 6 HA PRO 6 11.424 -5.960 -15.361 37 HB2 PRO 6 HB2 PRO 6 14.053 -6.210 -14.719 38 HB3 PRO 6 HB3 PRO 6 13.530 -5.909 -16.409 39 HG2 PRO 6 HG2 PRO 6 14.476 -3.934 -14.341 40 HG3 PRO 6 HG3 PRO 6 15.053 -4.163 -16.024 41 HD2 PRO 6 HD2 PRO 6 13.222 -2.263 -15.372 42 HD3 PRO 6 HD3 PRO 6 13.156 -3.145 -16.936 43 HA PRO 7 HA PRO 7 11.304 -5.879 -10.871 44 HB2 PRO 7 HB2 PRO 7 11.810 -8.454 -10.168 45 HB3 PRO 7 HB3 PRO 7 10.295 -8.007 -11.020 46 HG2 PRO 7 HG2 PRO 7 12.855 -9.111 -12.161 47 HG3 PRO 7 HG3 PRO 7 11.176 -9.687 -12.403 48 HD2 PRO 7 HD2 PRO 7 12.419 -8.059 -14.188 49 HD3 PRO 7 HD3 PRO 7 10.657 -7.924 -13.851 50 H ARG 8 H ARG 8 12.809 -6.261 -8.919 51 HA ARG 8 HA ARG 8 15.641 -6.701 -9.696 52 HB2 ARG 8 HB2 ARG 8 15.281 -4.318 -10.143 53 HB3 ARG 8 HB3 ARG 8 14.629 -4.095 -8.520 54 HG2 ARG 8 HG2 ARG 8 16.768 -3.280 -8.296 55 HG3 ARG 8 HG3 ARG 8 16.965 -4.936 -7.713 56 HD2 ARG 8 HD2 ARG 8 17.755 -5.569 -10.016 57 HD3 ARG 8 HD3 ARG 8 17.682 -3.848 -10.453 58 HE ARG 8 HE ARG 8 19.202 -4.239 -8.030 59 HH11 ARG 8 HH11 ARG 8 19.523 -4.590 -11.538 60 HH12 ARG 8 HH12 ARG 8 21.255 -4.413 -11.483 61 HH21 ARG 8 HH21 ARG 8 21.382 -4.037 -8.041 62 HH22 ARG 8 HH22 ARG 8 22.293 -4.089 -9.531 63 H LEU 9 H LEU 9 16.201 -8.201 -8.301 64 HA LEU 9 HA LEU 9 16.091 -7.505 -5.451 65 HB2 LEU 9 HB2 LEU 9 15.677 -10.302 -6.554 66 HB3 LEU 9 HB3 LEU 9 15.812 -9.882 -4.851 67 HG LEU 9 HG LEU 9 13.646 -8.424 -5.435 68 HD11 LEU 9 HD11 LEU 9 12.135 -9.705 -6.922 69 HD12 LEU 9 HD12 LEU 9 13.524 -9.064 -7.810 70 HD13 LEU 9 HD13 LEU 9 13.481 -10.783 -7.359 71 HD21 LEU 9 HD21 LEU 9 13.841 -10.110 -3.673 72 HD22 LEU 9 HD22 LEU 9 12.317 -10.303 -4.555 73 HD23 LEU 9 HD23 LEU 9 13.673 -11.410 -4.879 74 H VAL 10 H VAL 10 17.875 -6.426 -6.275 75 HA VAL 10 HA VAL 10 20.092 -8.300 -5.852 76 HB VAL 10 HB VAL 10 20.402 -6.526 -8.229 77 HG11 VAL 10 HG11 VAL 10 21.081 -9.241 -7.433 78 HG12 VAL 10 HG12 VAL 10 21.703 -8.407 -8.893 79 HG13 VAL 10 HG13 VAL 10 22.095 -7.781 -7.267 80 HG21 VAL 10 HG21 VAL 10 18.796 -9.112 -8.507 81 HG22 VAL 10 HG22 VAL 10 18.210 -7.461 -8.865 82 HG23 VAL 10 HG23 VAL 10 19.497 -8.183 -9.847 83 H GLY 11 H GLY 11 21.462 -7.291 -4.500 84 HA2 GLY 11 HA2 GLY 11 22.852 -5.592 -3.712 85 HA3 GLY 11 HA3 GLY 11 22.251 -4.525 -4.999 86 H GLY 12 H GLY 12 21.863 -2.741 -3.652 87 HA2 GLY 12 HA2 GLY 12 20.571 -2.805 -1.164 88 HA3 GLY 12 HA3 GLY 12 20.592 -1.424 -2.266 89 HA PRO 13 HA PRO 13 16.364 -2.228 -2.859 90 HB2 PRO 13 HB2 PRO 13 15.613 -2.150 -5.433 91 HB3 PRO 13 HB3 PRO 13 16.283 -0.711 -4.596 92 HG2 PRO 13 HG2 PRO 13 17.688 -2.671 -6.401 93 HG3 PRO 13 HG3 PRO 13 17.736 -0.883 -6.435 94 HD2 PRO 13 HD2 PRO 13 19.661 -2.451 -5.249 95 HD3 PRO 13 HD3 PRO 13 19.258 -0.790 -4.686 96 H MET 14 H MET 14 14.922 -3.788 -2.691 97 HA MET 14 HA MET 14 15.048 -6.137 -4.455 98 HB2 MET 14 HB2 MET 14 14.991 -7.734 -2.662 99 HB3 MET 14 HB3 MET 14 16.448 -6.752 -2.491 100 HG2 MET 14 HG2 MET 14 15.413 -5.448 -0.709 101 HG3 MET 14 HG3 MET 14 13.881 -6.309 -0.927 102 HE1 MET 14 HE1 MET 14 13.304 -8.673 -0.169 103 HE2 MET 14 HE2 MET 14 14.556 -9.419 -1.187 104 HE3 MET 14 HE3 MET 14 14.456 -9.831 0.538 105 H ASP 15 H ASP 15 13.056 -7.130 -4.694 106 HA ASP 15 HA ASP 15 10.730 -5.562 -3.795 107 HB2 ASP 15 HB2 ASP 15 11.044 -8.088 -5.492 108 HB3 ASP 15 HB3 ASP 15 9.490 -7.321 -5.134 109 H ALA 16 H ALA 16 9.209 -6.399 -2.232 110 HA ALA 16 HA ALA 16 9.882 -9.057 -0.983 111 HB1 ALA 16 HB1 ALA 16 8.997 -6.463 0.305 112 HB2 ALA 16 HB2 ALA 16 8.811 -8.034 1.105 113 HB3 ALA 16 HB3 ALA 16 10.434 -7.452 0.675 114 H SER 17 H SER 17 8.036 -10.199 -0.205 115 HA SER 17 HA SER 17 5.702 -9.927 -1.952 116 HB2 SER 17 HB2 SER 17 5.578 -11.590 0.520 117 HB3 SER 17 HB3 SER 17 5.141 -12.010 -1.149 118 HG SER 17 HG SER 17 7.529 -12.285 0.220 119 H VAL 18 H VAL 18 3.479 -9.560 -1.069 120 HA VAL 18 HA VAL 18 3.429 -7.340 0.772 121 HB VAL 18 HB VAL 18 1.026 -7.346 0.503 122 HG11 VAL 18 HG11 VAL 18 2.275 -8.197 -2.138 123 HG12 VAL 18 HG12 VAL 18 0.860 -7.147 -1.905 124 HG13 VAL 18 HG13 VAL 18 2.470 -6.588 -1.403 125 HG21 VAL 18 HG21 VAL 18 1.325 -10.081 -0.823 126 HG22 VAL 18 HG22 VAL 18 0.553 -9.751 0.742 127 HG23 VAL 18 HG23 VAL 18 -0.168 -9.122 -0.748 128 H GLU 19 H GLU 19 3.484 -10.706 1.042 129 HA GLU 19 HA GLU 19 2.247 -11.055 3.610 130 HB2 GLU 19 HB2 GLU 19 4.240 -12.563 1.915 131 HB3 GLU 19 HB3 GLU 19 3.758 -13.143 3.517 132 HG2 GLU 19 HG2 GLU 19 2.413 -14.293 1.919 133 HG3 GLU 19 HG3 GLU 19 1.378 -13.117 2.749 134 H GLU 20 H GLU 20 5.489 -10.009 2.540 135 HA GLU 20 HA GLU 20 6.747 -10.639 4.931 136 HB2 GLU 20 HB2 GLU 20 7.512 -8.826 2.739 137 HB3 GLU 20 HB3 GLU 20 8.262 -8.521 4.318 138 HG2 GLU 20 HG2 GLU 20 9.643 -10.012 3.533 139 HG3 GLU 20 HG3 GLU 20 8.483 -11.019 4.421 140 H GLU 21 H GLU 21 7.599 -9.889 6.576 141 HA GLU 21 HA GLU 21 5.837 -8.488 8.031 142 HB2 GLU 21 HB2 GLU 21 8.765 -8.897 8.540 143 HB3 GLU 21 HB3 GLU 21 7.679 -8.181 9.735 144 HG2 GLU 21 HG2 GLU 21 6.304 -10.255 9.670 145 HG3 GLU 21 HG3 GLU 21 7.511 -10.975 8.585 146 H GLY 22 H GLY 22 8.700 -7.369 6.402 147 HA2 GLY 22 HA2 GLY 22 8.639 -4.685 7.413 148 HA3 GLY 22 HA3 GLY 22 9.505 -5.240 5.972 149 H VAL 23 H VAL 23 6.848 -6.311 4.808 150 HA VAL 23 HA VAL 23 6.090 -3.733 3.662 151 HB VAL 23 HB VAL 23 5.161 -6.578 3.055 152 HG11 VAL 23 HG11 VAL 23 3.471 -5.087 2.326 153 HG12 VAL 23 HG12 VAL 23 4.657 -3.965 1.613 154 HG13 VAL 23 HG13 VAL 23 4.386 -5.578 0.902 155 HG21 VAL 23 HG21 VAL 23 6.597 -6.327 1.032 156 HG22 VAL 23 HG22 VAL 23 7.190 -4.775 1.677 157 HG23 VAL 23 HG23 VAL 23 7.522 -6.300 2.539 158 H ARG 24 H ARG 24 4.484 -6.434 5.478 159 HA ARG 24 HA ARG 24 1.888 -5.363 5.385 160 HB2 ARG 24 HB2 ARG 24 3.213 -6.951 7.601 161 HB3 ARG 24 HB3 ARG 24 1.468 -6.648 7.462 162 HG2 ARG 24 HG2 ARG 24 1.693 -7.646 5.099 163 HG3 ARG 24 HG3 ARG 24 3.247 -8.269 5.651 164 HD2 ARG 24 HD2 ARG 24 1.860 -10.051 6.042 165 HD3 ARG 24 HD3 ARG 24 1.883 -9.256 7.627 166 HE ARG 24 HE ARG 24 -0.367 -8.720 7.374 167 HH11 ARG 24 HH11 ARG 24 0.851 -9.749 4.213 168 HH12 ARG 24 HH12 ARG 24 -0.752 -9.879 3.538 169 HH21 ARG 24 HH21 ARG 24 -2.373 -8.877 6.424 170 HH22 ARG 24 HH22 ARG 24 -2.533 -9.370 4.760 171 H ARG 25 H ARG 25 4.474 -4.561 7.708 172 HA ARG 25 HA ARG 25 2.741 -2.814 9.235 173 HB2 ARG 25 HB2 ARG 25 4.781 -2.024 10.264 174 HB3 ARG 25 HB3 ARG 25 4.815 -3.776 10.123 175 HG2 ARG 25 HG2 ARG 25 6.926 -3.464 9.393 176 HG3 ARG 25 HG3 ARG 25 6.158 -3.128 7.833 177 HD2 ARG 25 HD2 ARG 25 7.880 -1.429 8.444 178 HD3 ARG 25 HD3 ARG 25 6.275 -0.718 8.248 179 HE ARG 25 HE ARG 25 6.241 -0.118 10.467 180 HH11 ARG 25 HH11 ARG 25 8.915 -2.391 10.048 181 HH12 ARG 25 HH12 ARG 25 9.548 -2.076 11.642 182 HH21 ARG 25 HH21 ARG 25 7.106 0.224 12.476 183 HH22 ARG 25 HH22 ARG 25 8.532 -0.633 12.993 184 H ALA 26 H ALA 26 4.518 -2.329 6.276 185 HA ALA 26 HA ALA 26 4.461 0.570 6.447 186 HB1 ALA 26 HB1 ALA 26 5.532 0.437 4.217 187 HB2 ALA 26 HB2 ALA 26 6.393 -0.590 5.387 188 HB3 ALA 26 HB3 ALA 26 5.296 -1.323 4.193 189 H LEU 27 H LEU 27 2.682 -2.155 5.061 190 HA LEU 27 HA LEU 27 1.075 -0.772 3.189 191 HB2 LEU 27 HB2 LEU 27 0.251 -3.030 5.090 192 HB3 LEU 27 HB3 LEU 27 -0.650 -2.500 3.697 193 HG LEU 27 HG LEU 27 1.900 -4.147 3.728 194 HD11 LEU 27 HD11 LEU 27 0.513 -5.723 2.508 195 HD12 LEU 27 HD12 LEU 27 -0.302 -5.281 4.023 196 HD13 LEU 27 HD13 LEU 27 -0.848 -4.575 2.482 197 HD21 LEU 27 HD21 LEU 27 1.713 -3.996 1.281 198 HD22 LEU 27 HD22 LEU 27 0.572 -2.649 1.502 199 HD23 LEU 27 HD23 LEU 27 2.246 -2.518 2.110 200 H ASP 28 H ASP 28 0.292 -1.605 6.591 201 HA ASP 28 HA ASP 28 -2.064 0.060 6.499 202 HB2 ASP 28 HB2 ASP 28 -0.531 -1.346 8.714 203 HB3 ASP 28 HB3 ASP 28 -1.979 -0.363 9.032 204 H PHE 29 H PHE 29 1.273 0.571 7.587 205 HA PHE 29 HA PHE 29 0.849 3.055 8.929 206 HB2 PHE 29 HB2 PHE 29 2.940 1.790 9.027 207 HB3 PHE 29 HB3 PHE 29 3.193 2.027 7.297 208 HD1 PHE 29 HD1 PHE 29 3.118 3.731 10.604 209 HD2 PHE 29 HD2 PHE 29 4.145 4.052 6.443 210 HE1 PHE 29 HE1 PHE 29 4.419 5.803 11.088 211 HE2 PHE 29 HE2 PHE 29 5.456 6.110 6.914 212 HZ PHE 29 HZ PHE 29 5.600 6.991 9.240 213 H ALA 30 H ALA 30 1.624 2.297 5.460 214 HA ALA 30 HA ALA 30 1.687 5.027 4.637 215 HB1 ALA 30 HB1 ALA 30 2.422 3.135 3.234 216 HB2 ALA 30 HB2 ALA 30 0.718 2.636 3.028 217 HB3 ALA 30 HB3 ALA 30 1.280 4.193 2.374 218 H VAL 31 H VAL 31 -1.203 2.887 4.724 219 HA VAL 31 HA VAL 31 -2.986 4.801 3.429 220 HB VAL 31 HB VAL 31 -4.110 2.946 5.445 221 HG11 VAL 31 HG11 VAL 31 -5.549 2.246 3.654 222 HG12 VAL 31 HG12 VAL 31 -5.559 3.983 3.966 223 HG13 VAL 31 HG13 VAL 31 -4.674 3.347 2.557 224 HG21 VAL 31 HG21 VAL 31 -2.329 1.764 5.110 225 HG22 VAL 31 HG22 VAL 31 -3.660 0.956 4.238 226 HG23 VAL 31 HG23 VAL 31 -2.428 1.877 3.320 227 H GLY 32 H GLY 32 -2.039 3.799 6.690 228 HA2 GLY 32 HA2 GLY 32 -4.110 5.159 8.073 229 HA3 GLY 32 HA3 GLY 32 -2.537 4.686 8.750 230 H GLU 33 H GLU 33 -1.002 6.028 6.711 231 HA GLU 33 HA GLU 33 -1.121 8.696 8.075 232 HB2 GLU 33 HB2 GLU 33 0.966 7.414 7.852 233 HB3 GLU 33 HB3 GLU 33 0.904 7.621 6.098 234 HG2 GLU 33 HG2 GLU 33 1.153 10.012 6.330 235 HG3 GLU 33 HG3 GLU 33 1.017 9.893 8.095 236 H TYR 34 H TYR 34 -1.841 7.287 5.027 237 HA TYR 34 HA TYR 34 -1.914 9.888 3.825 238 HB2 TYR 34 HB2 TYR 34 -1.020 8.051 2.489 239 HB3 TYR 34 HB3 TYR 34 -2.598 7.248 2.522 240 HD1 TYR 34 HD1 TYR 34 -1.058 10.575 1.631 241 HD2 TYR 34 HD2 TYR 34 -4.087 7.659 0.726 242 HE1 TYR 34 HE1 TYR 34 -1.772 11.926 -0.343 243 HE2 TYR 34 HE2 TYR 34 -4.798 9.021 -1.242 244 HH TYR 34 HH TYR 34 -4.456 10.930 -2.461 245 H ASN 35 H ASN 35 -4.186 7.275 4.075 246 HA ASN 35 HA ASN 35 -6.421 8.913 3.139 247 HB2 ASN 35 HB2 ASN 35 -5.879 6.014 3.843 248 HB3 ASN 35 HB3 ASN 35 -7.559 6.578 3.676 249 HD21 ASN 35 HD21 ASN 35 -7.799 8.054 1.590 250 HD22 ASN 35 HD22 ASN 35 -7.136 7.319 0.150 251 H LYS 36 H LYS 36 -5.647 6.992 6.041 252 HA LYS 36 HA LYS 36 -8.037 7.833 7.457 253 HB2 LYS 36 HB2 LYS 36 -6.982 5.740 8.000 254 HB3 LYS 36 HB3 LYS 36 -5.435 6.534 8.224 255 HG2 LYS 36 HG2 LYS 36 -7.620 7.402 10.050 256 HG3 LYS 36 HG3 LYS 36 -6.963 5.770 10.290 257 HD2 LYS 36 HD2 LYS 36 -4.947 6.536 11.033 258 HD3 LYS 36 HD3 LYS 36 -4.897 7.824 9.830 259 HE2 LYS 36 HE2 LYS 36 -4.954 8.759 12.096 260 HE3 LYS 36 HE3 LYS 36 -6.375 9.230 11.150 261 HZ1 LYS 36 HZ1 LYS 36 -6.970 8.586 13.381 262 HZ2 LYS 36 HZ2 LYS 36 -7.640 7.544 12.293 263 HZ3 LYS 36 HZ3 LYS 36 -6.323 7.081 13.175 264 H ALA 37 H ALA 37 -4.736 9.039 7.158 265 HA ALA 37 HA ALA 37 -4.890 10.782 9.442 266 HB1 ALA 37 HB1 ALA 37 -3.204 11.200 7.014 267 HB2 ALA 37 HB2 ALA 37 -2.880 11.685 8.695 268 HB3 ALA 37 HB3 ALA 37 -2.817 9.960 8.236 269 H SER 38 H SER 38 -5.724 10.921 6.008 270 HA SER 38 HA SER 38 -6.389 13.763 6.015 271 HB2 SER 38 HB2 SER 38 -5.780 12.530 3.951 272 HB3 SER 38 HB3 SER 38 -7.243 11.538 4.121 273 HG SER 38 HG SER 38 -7.525 13.320 2.695 274 H ASN 39 H ASN 39 -8.512 14.652 5.909 275 HA ASN 39 HA ASN 39 -10.439 13.268 7.656 276 HB2 ASN 39 HB2 ASN 39 -9.806 15.735 7.778 277 HB3 ASN 39 HB3 ASN 39 -10.714 15.940 6.270 278 HD21 ASN 39 HD21 ASN 39 -12.399 17.143 6.973 279 HD22 ASN 39 HD22 ASN 39 -13.524 16.622 8.201 280 H ASP 40 H ASP 40 -10.318 11.715 5.575 281 HA ASP 40 HA ASP 40 -11.912 12.498 3.316 282 HB2 ASP 40 HB2 ASP 40 -10.169 10.614 3.486 283 HB3 ASP 40 HB3 ASP 40 -11.466 9.637 4.196 284 H MET 41 H MET 41 -14.010 12.553 3.020 285 HA MET 41 HA MET 41 -15.863 12.207 5.179 286 HB2 MET 41 HB2 MET 41 -16.292 12.517 2.189 287 HB3 MET 41 HB3 MET 41 -17.575 12.620 3.399 288 HG2 MET 41 HG2 MET 41 -15.165 14.473 3.322 289 HG3 MET 41 HG3 MET 41 -16.735 14.829 2.584 290 HE1 MET 41 HE1 MET 41 -15.576 15.382 6.963 291 HE2 MET 41 HE2 MET 41 -14.941 13.974 6.086 292 HE3 MET 41 HE3 MET 41 -14.599 15.613 5.494 293 H TYR 42 H TYR 42 -14.707 9.946 2.785 294 HA TYR 42 HA TYR 42 -16.733 7.993 3.776 295 HB2 TYR 42 HB2 TYR 42 -15.929 8.214 0.867 296 HB3 TYR 42 HB3 TYR 42 -17.135 7.138 1.562 297 HD1 TYR 42 HD1 TYR 42 -16.505 10.396 0.101 298 HD2 TYR 42 HD2 TYR 42 -19.258 8.218 2.591 299 HE1 TYR 42 HE1 TYR 42 -18.259 12.124 -0.316 300 HE2 TYR 42 HE2 TYR 42 -21.001 9.950 2.167 301 HH TYR 42 HH TYR 42 -21.508 11.927 1.135 302 H HIS 43 H HIS 43 -16.022 5.730 3.331 303 HA HIS 43 HA HIS 43 -13.326 5.410 4.218 304 HB2 HIS 43 HB2 HIS 43 -15.311 3.425 3.037 305 HB3 HIS 43 HB3 HIS 43 -13.752 2.976 3.735 306 HD1 HIS 43 HD1 HIS 43 -17.177 4.235 4.763 307 HD2 HIS 43 HD2 HIS 43 -13.622 2.950 6.493 308 HE1 HIS 43 HE1 HIS 43 -17.639 3.943 7.227 309 H SER 44 H SER 44 -11.478 5.104 3.174 310 HA SER 44 HA SER 44 -11.451 4.178 0.357 311 HB2 SER 44 HB2 SER 44 -9.909 6.593 1.412 312 HB3 SER 44 HB3 SER 44 -9.725 5.865 -0.197 313 HG SER 44 HG SER 44 -11.425 7.742 0.594 314 H ARG 45 H ARG 45 -9.455 2.993 -0.011 315 HA ARG 45 HA ARG 45 -7.549 2.834 2.237 316 HB2 ARG 45 HB2 ARG 45 -9.699 1.168 2.420 317 HB3 ARG 45 HB3 ARG 45 -8.681 0.205 1.344 318 HG2 ARG 45 HG2 ARG 45 -6.821 0.579 3.120 319 HG3 ARG 45 HG3 ARG 45 -8.138 1.091 4.184 320 HD2 ARG 45 HD2 ARG 45 -9.257 -1.132 3.672 321 HD3 ARG 45 HD3 ARG 45 -7.763 -1.616 2.842 322 HE ARG 45 HE ARG 45 -8.209 -1.352 5.726 323 HH11 ARG 45 HH11 ARG 45 -5.698 -1.613 3.232 324 HH12 ARG 45 HH12 ARG 45 -4.484 -2.057 4.412 325 HH21 ARG 45 HH21 ARG 45 -6.599 -1.957 7.118 326 HH22 ARG 45 HH22 ARG 45 -4.967 -2.237 6.547 327 H ALA 46 H ALA 46 -5.739 1.374 1.694 328 HA ALA 46 HA ALA 46 -5.014 1.284 -1.120 329 HB1 ALA 46 HB1 ALA 46 -3.900 -0.162 1.375 330 HB2 ALA 46 HB2 ALA 46 -3.169 -0.262 -0.257 331 HB3 ALA 46 HB3 ALA 46 -3.213 1.295 0.623 332 H LEU 47 H LEU 47 -6.443 0.137 -2.335 333 HA LEU 47 HA LEU 47 -8.014 -2.059 -1.321 334 HB2 LEU 47 HB2 LEU 47 -7.349 -0.881 -4.010 335 HB3 LEU 47 HB3 LEU 47 -8.064 -2.481 -3.956 336 HG LEU 47 HG LEU 47 -9.369 0.019 -2.855 337 HD11 LEU 47 HD11 LEU 47 -9.617 -1.597 -5.426 338 HD12 LEU 47 HD12 LEU 47 -10.803 -0.367 -4.911 339 HD13 LEU 47 HD13 LEU 47 -9.124 0.104 -5.260 340 HD21 LEU 47 HD21 LEU 47 -10.316 -2.855 -3.271 341 HD22 LEU 47 HD22 LEU 47 -10.107 -2.030 -1.708 342 HD23 LEU 47 HD23 LEU 47 -11.371 -1.486 -2.823 343 H GLN 48 H GLN 48 -5.139 -1.822 -3.376 344 HA GLN 48 HA GLN 48 -4.433 -4.595 -2.804 345 HB2 GLN 48 HB2 GLN 48 -6.176 -4.566 -4.666 346 HB3 GLN 48 HB3 GLN 48 -5.050 -3.599 -5.621 347 HG2 GLN 48 HG2 GLN 48 -4.885 -5.952 -6.268 348 HG3 GLN 48 HG3 GLN 48 -3.373 -5.428 -5.518 349 HE21 GLN 48 HE21 GLN 48 -6.383 -7.216 -4.999 350 HE22 GLN 48 HE22 GLN 48 -5.761 -8.202 -3.690 351 H VAL 49 H VAL 49 -2.252 -4.814 -2.980 352 HA VAL 49 HA VAL 49 -0.778 -2.372 -3.632 353 HB VAL 49 HB VAL 49 -0.100 -4.883 -2.146 354 HG11 VAL 49 HG11 VAL 49 2.328 -4.369 -2.252 355 HG12 VAL 49 HG12 VAL 49 1.697 -4.907 -3.815 356 HG13 VAL 49 HG13 VAL 49 2.014 -3.175 -3.525 357 HG21 VAL 49 HG21 VAL 49 0.685 -1.909 -1.794 358 HG22 VAL 49 HG22 VAL 49 -0.705 -2.734 -1.021 359 HG23 VAL 49 HG23 VAL 49 0.941 -3.254 -0.641 360 H VAL 50 H VAL 50 0.272 -1.986 -5.438 361 HA VAL 50 HA VAL 50 0.153 -3.984 -7.599 362 HB VAL 50 HB VAL 50 1.339 -1.159 -7.625 363 HG11 VAL 50 HG11 VAL 50 0.333 -2.938 -9.897 364 HG12 VAL 50 HG12 VAL 50 1.003 -1.298 -10.067 365 HG13 VAL 50 HG13 VAL 50 2.042 -2.630 -9.519 366 HG21 VAL 50 HG21 VAL 50 -1.001 -0.977 -6.979 367 HG22 VAL 50 HG22 VAL 50 -0.839 -0.484 -8.672 368 HG23 VAL 50 HG23 VAL 50 -1.491 -2.091 -8.275 369 H ARG 51 H ARG 51 2.558 -2.193 -5.627 370 HA ARG 51 HA ARG 51 4.541 -4.334 -6.190 371 HB2 ARG 51 HB2 ARG 51 5.193 -1.376 -6.503 372 HB3 ARG 51 HB3 ARG 51 6.333 -2.705 -6.643 373 HG2 ARG 51 HG2 ARG 51 4.006 -2.241 -8.532 374 HG3 ARG 51 HG3 ARG 51 5.649 -1.677 -8.822 375 HD2 ARG 51 HD2 ARG 51 5.041 -4.618 -8.355 376 HD3 ARG 51 HD3 ARG 51 4.899 -3.873 -9.947 377 HE ARG 51 HE ARG 51 7.249 -3.440 -9.974 378 HH11 ARG 51 HH11 ARG 51 6.312 -5.479 -7.238 379 HH12 ARG 51 HH12 ARG 51 7.959 -5.999 -6.967 380 HH21 ARG 51 HH21 ARG 51 9.283 -4.201 -9.593 381 HH22 ARG 51 HH22 ARG 51 9.604 -5.283 -8.257 382 H ALA 52 H ALA 52 5.909 -4.702 -4.474 383 HA ALA 52 HA ALA 52 5.877 -2.817 -2.168 384 HB1 ALA 52 HB1 ALA 52 5.879 -4.931 -0.735 385 HB2 ALA 52 HB2 ALA 52 4.319 -4.530 -1.483 386 HB3 ALA 52 HB3 ALA 52 5.335 -5.819 -2.172 387 H ARG 53 H ARG 53 7.918 -2.200 -2.009 388 HA ARG 53 HA ARG 53 10.020 -4.243 -2.159 389 HB2 ARG 53 HB2 ARG 53 11.297 -3.076 -3.887 390 HB3 ARG 53 HB3 ARG 53 9.776 -3.713 -4.495 391 HG2 ARG 53 HG2 ARG 53 9.886 -0.929 -3.604 392 HG3 ARG 53 HG3 ARG 53 10.617 -1.375 -5.149 393 HD2 ARG 53 HD2 ARG 53 8.465 -2.477 -5.756 394 HD3 ARG 53 HD3 ARG 53 7.782 -1.832 -4.263 395 HE ARG 53 HE ARG 53 7.369 0.142 -5.294 396 HH11 ARG 53 HH11 ARG 53 9.938 -1.426 -7.169 397 HH12 ARG 53 HH12 ARG 53 9.885 -0.198 -8.408 398 HH21 ARG 53 HH21 ARG 53 7.321 1.592 -6.891 399 HH22 ARG 53 HH22 ARG 53 8.441 1.514 -8.239 400 H LYS 54 H LYS 54 12.159 -3.259 -1.831 401 HA LYS 54 HA LYS 54 12.030 -0.716 -0.363 402 HB2 LYS 54 HB2 LYS 54 13.111 -1.740 1.672 403 HB3 LYS 54 HB3 LYS 54 11.430 -2.183 1.438 404 HG2 LYS 54 HG2 LYS 54 13.570 -4.040 0.375 405 HG3 LYS 54 HG3 LYS 54 13.283 -3.992 2.114 406 HD2 LYS 54 HD2 LYS 54 11.128 -4.612 0.031 407 HD3 LYS 54 HD3 LYS 54 12.018 -5.831 0.935 408 HE2 LYS 54 HE2 LYS 54 10.346 -3.665 2.268 409 HE3 LYS 54 HE3 LYS 54 9.706 -5.245 1.817 410 HZ1 LYS 54 HZ1 LYS 54 10.468 -5.245 4.106 411 HZ2 LYS 54 HZ2 LYS 54 11.404 -6.273 3.217 412 HZ3 LYS 54 HZ3 LYS 54 11.988 -4.794 3.658 413 H GLN 55 H GLN 55 14.220 -0.070 0.379 414 HA GLN 55 HA GLN 55 16.400 -1.232 -1.279 415 HB2 GLN 55 HB2 GLN 55 15.411 0.731 -2.424 416 HB3 GLN 55 HB3 GLN 55 15.616 1.688 -0.955 417 HG2 GLN 55 HG2 GLN 55 18.016 1.591 -1.143 418 HG3 GLN 55 HG3 GLN 55 17.914 0.426 -2.474 419 HE21 GLN 55 HE21 GLN 55 17.462 3.783 -1.520 420 HE22 GLN 55 HE22 GLN 55 17.384 4.409 -3.151 421 H ILE 56 H ILE 56 18.019 -1.773 0.015 422 HA ILE 56 HA ILE 56 18.177 -0.478 2.697 423 HB ILE 56 HB ILE 56 19.420 -3.079 1.650 424 HG12 ILE 56 HG12 ILE 56 17.690 -3.746 3.694 425 HG13 ILE 56 HG13 ILE 56 16.815 -2.420 2.930 426 HG21 ILE 56 HG21 ILE 56 19.333 -1.903 4.483 427 HG22 ILE 56 HG22 ILE 56 19.921 -3.530 4.063 428 HG23 ILE 56 HG23 ILE 56 20.785 -2.102 3.469 429 HD11 ILE 56 HD11 ILE 56 16.158 -4.663 2.042 430 HD12 ILE 56 HD12 ILE 56 16.831 -3.623 0.769 431 HD13 ILE 56 HD13 ILE 56 17.824 -4.918 1.478 432 H GLY 57 H GLY 57 19.987 0.664 3.313 433 HA2 GLY 57 HA2 GLY 57 22.552 0.438 2.153 434 HA3 GLY 57 HA3 GLY 57 21.693 1.781 1.351 435 H ALA 58 H ALA 58 23.316 3.204 2.450 436 HA ALA 58 HA ALA 58 23.440 3.424 5.306 437 HB1 ALA 58 HB1 ALA 58 23.912 5.550 3.155 438 HB2 ALA 58 HB2 ALA 58 24.415 5.662 4.859 439 HB3 ALA 58 HB3 ALA 58 25.138 4.429 3.800 440 H GLY 59 H GLY 59 21.207 4.531 2.872 441 HA2 GLY 59 HA2 GLY 59 19.428 5.610 5.018 442 HA3 GLY 59 HA3 GLY 59 19.488 6.292 3.355 443 H VAL 60 H VAL 60 17.228 4.748 4.721 444 HA VAL 60 HA VAL 60 17.199 2.403 2.853 445 HB VAL 60 HB VAL 60 16.071 2.664 5.677 446 HG11 VAL 60 HG11 VAL 60 15.778 0.340 3.723 447 HG12 VAL 60 HG12 VAL 60 15.270 0.338 5.426 448 HG13 VAL 60 HG13 VAL 60 14.470 1.416 4.269 449 HG21 VAL 60 HG21 VAL 60 17.581 0.799 6.211 450 HG22 VAL 60 HG22 VAL 60 18.149 0.758 4.527 451 HG23 VAL 60 HG23 VAL 60 18.501 2.163 5.549 452 H ASN 61 H ASN 61 15.516 2.325 1.462 453 HA ASN 61 HA ASN 61 13.312 4.315 1.932 454 HB2 ASN 61 HB2 ASN 61 14.539 3.533 -0.732 455 HB3 ASN 61 HB3 ASN 61 13.218 4.675 -0.477 456 HD21 ASN 61 HD21 ASN 61 13.656 6.709 0.415 457 HD22 ASN 61 HD22 ASN 61 15.284 7.344 0.443 458 H TYR 62 H TYR 62 11.382 3.430 2.060 459 HA TYR 62 HA TYR 62 10.957 0.719 0.855 460 HB2 TYR 62 HB2 TYR 62 9.714 2.267 3.106 461 HB3 TYR 62 HB3 TYR 62 8.709 1.122 2.210 462 HD1 TYR 62 HD1 TYR 62 8.570 -1.053 3.019 463 HD2 TYR 62 HD2 TYR 62 12.131 1.221 3.842 464 HE1 TYR 62 HE1 TYR 62 9.474 -2.936 4.362 465 HE2 TYR 62 HE2 TYR 62 13.036 -0.694 5.168 466 HH TYR 62 HH TYR 62 12.625 -2.801 6.002 467 H PHE 63 H PHE 63 9.584 0.505 -0.870 468 HA PHE 63 HA PHE 63 8.129 2.991 -1.714 469 HB2 PHE 63 HB2 PHE 63 9.400 0.916 -3.513 470 HB3 PHE 63 HB3 PHE 63 8.582 2.387 -4.022 471 HD1 PHE 63 HD1 PHE 63 11.690 0.899 -3.702 472 HD2 PHE 63 HD2 PHE 63 9.700 4.578 -2.723 473 HE1 PHE 63 HE1 PHE 63 13.882 2.081 -3.715 474 HE2 PHE 63 HE2 PHE 63 11.879 5.777 -2.741 475 HZ PHE 63 HZ PHE 63 13.980 4.527 -3.254 476 H LEU 64 H LEU 64 6.023 2.615 -1.481 477 HA LEU 64 HA LEU 64 5.069 -0.168 -1.968 478 HB2 LEU 64 HB2 LEU 64 5.187 0.649 0.446 479 HB3 LEU 64 HB3 LEU 64 3.956 1.827 0.042 480 HG LEU 64 HG LEU 64 3.278 -0.318 1.272 481 HD11 LEU 64 HD11 LEU 64 1.673 1.258 0.228 482 HD12 LEU 64 HD12 LEU 64 1.768 0.327 -1.285 483 HD13 LEU 64 HD13 LEU 64 1.119 -0.427 0.188 484 HD21 LEU 64 HD21 LEU 64 3.400 -1.518 -1.527 485 HD22 LEU 64 HD22 LEU 64 4.604 -1.830 -0.251 486 HD23 LEU 64 HD23 LEU 64 2.922 -2.314 -0.033 487 H ASP 65 H ASP 65 3.843 -0.261 -3.690 488 HA ASP 65 HA ASP 65 2.324 2.215 -4.475 489 HB2 ASP 65 HB2 ASP 65 3.424 -0.032 -6.244 490 HB3 ASP 65 HB3 ASP 65 2.572 1.413 -6.806 491 H VAL 66 H VAL 66 0.454 2.159 -5.038 492 HA VAL 66 HA VAL 66 -1.181 -0.149 -4.516 493 HB VAL 66 HB VAL 66 -0.271 1.439 -2.377 494 HG11 VAL 66 HG11 VAL 66 -2.332 2.771 -2.860 495 HG12 VAL 66 HG12 VAL 66 -3.287 1.269 -2.703 496 HG13 VAL 66 HG13 VAL 66 -2.364 1.929 -1.319 497 HG21 VAL 66 HG21 VAL 66 -1.212 -0.171 -1.146 498 HG22 VAL 66 HG22 VAL 66 -2.325 -0.651 -2.469 499 HG23 VAL 66 HG23 VAL 66 -0.591 -0.834 -2.637 500 H GLU 67 H GLU 67 -3.201 -0.275 -4.843 501 HA GLU 67 HA GLU 67 -4.300 1.768 -6.694 502 HB2 GLU 67 HB2 GLU 67 -5.007 -1.046 -5.870 503 HB3 GLU 67 HB3 GLU 67 -6.245 -0.014 -6.593 504 HG2 GLU 67 HG2 GLU 67 -5.026 0.224 -8.609 505 HG3 GLU 67 HG3 GLU 67 -3.576 -0.511 -7.896 506 H LEU 68 H LEU 68 -5.831 3.148 -6.180 507 HA LEU 68 HA LEU 68 -7.110 2.873 -3.511 508 HB2 LEU 68 HB2 LEU 68 -6.127 5.246 -5.003 509 HB3 LEU 68 HB3 LEU 68 -7.633 5.427 -4.063 510 HG LEU 68 HG LEU 68 -6.459 4.555 -2.047 511 HD11 LEU 68 HD11 LEU 68 -3.927 4.798 -2.081 512 HD12 LEU 68 HD12 LEU 68 -4.662 3.328 -2.740 513 HD13 LEU 68 HD13 LEU 68 -4.072 4.579 -3.842 514 HD21 LEU 68 HD21 LEU 68 -5.397 7.073 -3.342 515 HD22 LEU 68 HD22 LEU 68 -6.822 6.899 -2.304 516 HD23 LEU 68 HD23 LEU 68 -5.200 6.660 -1.623 517 H GLY 69 H GLY 69 -9.125 2.933 -3.129 518 HA2 GLY 69 HA2 GLY 69 -11.023 3.845 -5.157 519 HA3 GLY 69 HA3 GLY 69 -11.077 2.099 -4.772 520 H ARG 70 H ARG 70 -13.098 4.193 -4.161 521 HA ARG 70 HA ARG 70 -12.990 4.431 -1.215 522 HB2 ARG 70 HB2 ARG 70 -15.249 4.880 -3.227 523 HB3 ARG 70 HB3 ARG 70 -15.373 5.134 -1.480 524 HG2 ARG 70 HG2 ARG 70 -13.330 6.712 -1.806 525 HG3 ARG 70 HG3 ARG 70 -13.823 6.729 -3.509 526 HD2 ARG 70 HD2 ARG 70 -16.043 7.546 -2.893 527 HD3 ARG 70 HD3 ARG 70 -15.669 7.364 -1.171 528 HE ARG 70 HE ARG 70 -14.906 9.566 -2.899 529 HH11 ARG 70 HH11 ARG 70 -13.936 7.816 0.011 530 HH12 ARG 70 HH12 ARG 70 -13.120 9.214 0.682 531 HH21 ARG 70 HH21 ARG 70 -13.813 11.299 -1.942 532 HH22 ARG 70 HH22 ARG 70 -13.062 11.088 -0.373 533 H THR 71 H THR 71 -13.822 2.849 0.125 534 HA THR 71 HA THR 71 -14.411 0.363 -1.309 535 HB THR 71 HB THR 71 -14.283 -0.686 0.971 536 HG1 THR 71 HG1 THR 71 -14.876 1.074 2.245 537 HG21 THR 71 HG21 THR 71 -12.255 -0.463 -0.465 538 HG22 THR 71 HG22 THR 71 -11.916 1.115 0.292 539 HG23 THR 71 HG23 THR 71 -11.875 -0.368 1.269 540 H THR 72 H THR 72 -16.258 -0.813 -1.213 541 HA THR 72 HA THR 72 -18.696 0.673 -0.602 542 HB THR 72 HB THR 72 -19.676 -1.749 -0.996 543 HG1 THR 72 HG1 THR 72 -17.258 -2.110 -2.407 544 HG21 THR 72 HG21 THR 72 -19.855 0.076 -2.632 545 HG22 THR 72 HG22 THR 72 -18.189 -0.238 -3.182 546 HG23 THR 72 HG23 THR 72 -19.458 -1.458 -3.437 547 H CYS 73 H CYS 73 -16.506 -1.220 1.185 548 HA CYS 73 HA CYS 73 -18.514 -1.848 3.282 549 HB2 CYS 73 HB2 CYS 73 -15.804 -2.865 2.556 550 HB3 CYS 73 HB3 CYS 73 -16.202 -2.820 4.272 551 H THR 74 H THR 74 -17.926 -1.509 5.477 552 HA THR 74 HA THR 74 -16.393 1.018 5.915 553 HB THR 74 HB THR 74 -17.658 1.328 7.930 554 HG1 THR 74 HG1 THR 74 -18.964 -0.340 8.760 555 HG21 THR 74 HG21 THR 74 -19.783 0.002 6.289 556 HG22 THR 74 HG22 THR 74 -19.867 1.444 7.327 557 HG23 THR 74 HG23 THR 74 -19.027 1.539 5.764 558 H LYS 75 H LYS 75 -15.423 0.945 8.161 559 HA LYS 75 HA LYS 75 -13.594 -1.198 8.446 560 HB2 LYS 75 HB2 LYS 75 -13.162 -0.078 10.662 561 HB3 LYS 75 HB3 LYS 75 -13.248 1.080 9.322 562 HG2 LYS 75 HG2 LYS 75 -15.665 1.572 9.923 563 HG3 LYS 75 HG3 LYS 75 -15.491 0.485 11.318 564 HD2 LYS 75 HD2 LYS 75 -13.630 1.894 12.168 565 HD3 LYS 75 HD3 LYS 75 -13.870 2.994 10.798 566 HE2 LYS 75 HE2 LYS 75 -14.996 3.951 12.690 567 HE3 LYS 75 HE3 LYS 75 -16.240 3.348 11.578 568 HZ1 LYS 75 HZ1 LYS 75 -16.450 1.382 12.985 569 HZ2 LYS 75 HZ2 LYS 75 -15.287 1.940 14.013 570 HZ3 LYS 75 HZ3 LYS 75 -16.719 2.746 13.873 571 H THR 76 H THR 76 -16.822 -0.938 9.583 572 HA THR 76 HA THR 76 -16.481 -3.132 11.538 573 HB THR 76 HB THR 76 -18.988 -2.476 11.469 574 HG1 THR 76 HG1 THR 76 -19.357 -0.387 11.065 575 HG21 THR 76 HG21 THR 76 -18.534 -0.861 13.380 576 HG22 THR 76 HG22 THR 76 -17.633 -2.384 13.530 577 HG23 THR 76 HG23 THR 76 -16.810 -0.925 12.932 578 H GLN 77 H GLN 77 -17.682 -2.558 8.554 579 HA GLN 77 HA GLN 77 -19.927 -4.206 8.309 580 HB2 GLN 77 HB2 GLN 77 -17.897 -3.191 6.391 581 HB3 GLN 77 HB3 GLN 77 -18.925 -4.508 5.833 582 HG2 GLN 77 HG2 GLN 77 -20.152 -2.130 7.169 583 HG3 GLN 77 HG3 GLN 77 -19.643 -2.025 5.478 584 HE21 GLN 77 HE21 GLN 77 -22.309 -2.357 7.186 585 HE22 GLN 77 HE22 GLN 77 -23.211 -3.452 6.167 586 HA PRO 78 HA PRO 78 -18.405 -8.325 8.451 587 HB2 PRO 78 HB2 PRO 78 -20.491 -9.681 7.367 588 HB3 PRO 78 HB3 PRO 78 -20.641 -8.811 8.929 589 HG2 PRO 78 HG2 PRO 78 -21.449 -7.889 6.170 590 HG3 PRO 78 HG3 PRO 78 -22.406 -7.873 7.682 591 HD2 PRO 78 HD2 PRO 78 -21.045 -5.671 6.758 592 HD3 PRO 78 HD3 PRO 78 -21.274 -5.998 8.503 593 H ASN 79 H ASN 79 -19.041 -6.808 5.367 594 HA ASN 79 HA ASN 79 -18.235 -9.222 3.870 595 HB2 ASN 79 HB2 ASN 79 -19.534 -6.589 3.134 596 HB3 ASN 79 HB3 ASN 79 -18.835 -7.618 1.884 597 HD21 ASN 79 HD21 ASN 79 -20.526 -8.365 0.825 598 HD22 ASN 79 HD22 ASN 79 -21.813 -9.287 1.572 599 H LEU 80 H LEU 80 -16.014 -7.848 5.347 600 HA LEU 80 HA LEU 80 -14.597 -6.224 3.474 601 HB2 LEU 80 HB2 LEU 80 -13.812 -7.602 5.980 602 HB3 LEU 80 HB3 LEU 80 -12.533 -7.150 4.863 603 HG LEU 80 HG LEU 80 -13.483 -4.792 4.870 604 HD11 LEU 80 HD11 LEU 80 -14.883 -5.833 7.341 605 HD12 LEU 80 HD12 LEU 80 -14.693 -4.125 6.893 606 HD13 LEU 80 HD13 LEU 80 -15.657 -5.202 5.868 607 HD21 LEU 80 HD21 LEU 80 -12.283 -4.260 6.953 608 HD22 LEU 80 HD22 LEU 80 -12.317 -5.981 7.409 609 HD23 LEU 80 HD23 LEU 80 -11.416 -5.457 5.962 610 H ASP 81 H ASP 81 -15.043 -9.619 3.201 611 HA ASP 81 HA ASP 81 -12.581 -9.917 1.600 612 HB2 ASP 81 HB2 ASP 81 -15.027 -11.703 1.889 613 HB3 ASP 81 HB3 ASP 81 -13.518 -12.149 1.074 614 H ASN 82 H ASN 82 -16.051 -9.531 1.208 615 HA ASN 82 HA ASN 82 -15.995 -9.849 -1.691 616 HB2 ASN 82 HB2 ASN 82 -17.876 -10.782 -0.616 617 HB3 ASN 82 HB3 ASN 82 -18.094 -9.371 0.427 618 HD21 ASN 82 HD21 ASN 82 -18.108 -10.220 -3.049 619 HD22 ASN 82 HD22 ASN 82 -19.456 -9.179 -3.433 620 H CYS 83 H CYS 83 -16.349 -7.064 0.536 621 HA CYS 83 HA CYS 83 -17.196 -5.256 -1.502 622 HB2 CYS 83 HB2 CYS 83 -15.652 -4.805 1.057 623 HB3 CYS 83 HB3 CYS 83 -16.200 -3.498 -0.001 624 HA PRO 84 HA PRO 84 -12.830 -4.019 -2.416 625 HB2 PRO 84 HB2 PRO 84 -10.647 -5.532 -1.743 626 HB3 PRO 84 HB3 PRO 84 -11.293 -4.208 -0.721 627 HG2 PRO 84 HG2 PRO 84 -11.757 -7.145 -0.510 628 HG3 PRO 84 HG3 PRO 84 -11.334 -5.961 0.773 629 HD2 PRO 84 HD2 PRO 84 -13.856 -6.807 0.376 630 HD3 PRO 84 HD3 PRO 84 -13.478 -5.125 0.882 631 H PHE 85 H PHE 85 -13.541 -7.521 -2.352 632 HA PHE 85 HA PHE 85 -12.233 -8.204 -4.805 633 HB2 PHE 85 HB2 PHE 85 -13.206 -9.838 -3.203 634 HB3 PHE 85 HB3 PHE 85 -14.824 -9.286 -3.643 635 HD1 PHE 85 HD1 PHE 85 -11.793 -11.046 -4.876 636 HD2 PHE 85 HD2 PHE 85 -15.893 -10.014 -5.673 637 HE1 PHE 85 HE1 PHE 85 -11.836 -12.688 -6.749 638 HE2 PHE 85 HE2 PHE 85 -15.947 -11.651 -7.550 639 HZ PHE 85 HZ PHE 85 -13.916 -12.993 -8.093 640 H HIS 86 H HIS 86 -15.374 -6.695 -4.081 641 HA HIS 86 HA HIS 86 -16.195 -6.587 -6.899 642 HB2 HIS 86 HB2 HIS 86 -17.986 -6.623 -5.375 643 HB3 HIS 86 HB3 HIS 86 -17.196 -5.501 -4.265 644 HD1 HIS 86 HD1 HIS 86 -17.365 -2.923 -4.823 645 HD2 HIS 86 HD2 HIS 86 -19.444 -5.416 -7.422 646 HE1 HIS 86 HE1 HIS 86 -18.885 -1.442 -6.183 647 H ASP 87 H ASP 87 -14.600 -4.438 -4.581 648 HA ASP 87 HA ASP 87 -15.047 -2.037 -6.064 649 HB2 ASP 87 HB2 ASP 87 -13.057 -2.690 -3.880 650 HB3 ASP 87 HB3 ASP 87 -13.325 -1.065 -4.526 651 H GLN 88 H GLN 88 -12.208 -4.282 -6.039 652 HA GLN 88 HA GLN 88 -10.561 -2.577 -7.625 653 HB2 GLN 88 HB2 GLN 88 -10.629 -5.530 -7.176 654 HB3 GLN 88 HB3 GLN 88 -9.732 -4.910 -8.570 655 HG2 GLN 88 HG2 GLN 88 -8.629 -3.324 -7.015 656 HG3 GLN 88 HG3 GLN 88 -9.298 -4.284 -5.680 657 HE21 GLN 88 HE21 GLN 88 -6.908 -4.021 -8.155 658 HE22 GLN 88 HE22 GLN 88 -6.109 -5.551 -7.860 659 HA PRO 89 HA PRO 89 -12.151 -4.272 -11.553 660 HB2 PRO 89 HB2 PRO 89 -14.574 -5.577 -11.788 661 HB3 PRO 89 HB3 PRO 89 -13.023 -6.438 -11.515 662 HG2 PRO 89 HG2 PRO 89 -15.074 -5.578 -9.467 663 HG3 PRO 89 HG3 PRO 89 -14.333 -7.191 -9.697 664 HD2 PRO 89 HD2 PRO 89 -13.399 -5.490 -7.870 665 HD3 PRO 89 HD3 PRO 89 -12.282 -6.498 -8.845 666 H HIS 90 H HIS 90 -14.200 -2.932 -9.072 667 HA HIS 90 HA HIS 90 -15.940 -1.502 -10.923 668 HB2 HIS 90 HB2 HIS 90 -16.471 -2.189 -8.510 669 HB3 HIS 90 HB3 HIS 90 -15.487 -0.810 -8.013 670 HD1 HIS 90 HD1 HIS 90 -16.510 1.581 -8.519 671 HD2 HIS 90 HD2 HIS 90 -18.942 -1.620 -9.581 672 HE1 HIS 90 HE1 HIS 90 -18.796 2.540 -8.998 673 H LEU 91 H LEU 91 -12.667 -1.163 -10.022 674 HA LEU 91 HA LEU 91 -12.509 1.740 -10.161 675 HB2 LEU 91 HB2 LEU 91 -10.371 -0.343 -10.698 676 HB3 LEU 91 HB3 LEU 91 -10.104 1.384 -10.553 677 HG LEU 91 HG LEU 91 -10.903 -0.505 -8.333 678 HD11 LEU 91 HD11 LEU 91 -8.404 1.156 -8.849 679 HD12 LEU 91 HD12 LEU 91 -8.684 0.088 -7.460 680 HD13 LEU 91 HD13 LEU 91 -8.550 -0.604 -9.084 681 HD21 LEU 91 HD21 LEU 91 -12.024 1.595 -7.903 682 HD22 LEU 91 HD22 LEU 91 -10.608 1.472 -6.850 683 HD23 LEU 91 HD23 LEU 91 -10.539 2.512 -8.287 684 H LYS 92 H LYS 92 -14.050 1.736 -12.046 685 HA LYS 92 HA LYS 92 -12.829 1.261 -14.687 686 HB2 LYS 92 HB2 LYS 92 -14.966 2.000 -15.570 687 HB3 LYS 92 HB3 LYS 92 -15.149 0.741 -14.352 688 HG2 LYS 92 HG2 LYS 92 -15.541 2.788 -12.711 689 HG3 LYS 92 HG3 LYS 92 -15.916 3.640 -14.222 690 HD2 LYS 92 HD2 LYS 92 -17.991 2.789 -13.598 691 HD3 LYS 92 HD3 LYS 92 -17.392 1.551 -14.727 692 HE2 LYS 92 HE2 LYS 92 -16.606 0.184 -12.808 693 HE3 LYS 92 HE3 LYS 92 -17.161 1.435 -11.685 694 HZ1 LYS 92 HZ1 LYS 92 -18.876 -0.220 -13.436 695 HZ2 LYS 92 HZ2 LYS 92 -18.769 -0.295 -11.789 696 HZ3 LYS 92 HZ3 LYS 92 -19.428 1.030 -12.508 697 H ARG 93 H ARG 93 -11.999 3.299 -12.529 698 HA ARG 93 HA ARG 93 -11.391 5.508 -14.419 699 HB2 ARG 93 HB2 ARG 93 -12.560 5.798 -11.615 700 HB3 ARG 93 HB3 ARG 93 -11.652 7.071 -12.430 701 HG2 ARG 93 HG2 ARG 93 -13.322 6.840 -14.363 702 HG3 ARG 93 HG3 ARG 93 -14.306 5.874 -13.253 703 HD2 ARG 93 HD2 ARG 93 -15.146 8.092 -13.165 704 HD3 ARG 93 HD3 ARG 93 -14.245 7.847 -11.656 705 HE ARG 93 HE ARG 93 -12.384 8.959 -13.402 706 HH11 ARG 93 HH11 ARG 93 -15.559 9.994 -12.221 707 HH12 ARG 93 HH12 ARG 93 -15.151 11.683 -12.333 708 HH21 ARG 93 HH21 ARG 93 -11.935 11.145 -13.499 709 HH22 ARG 93 HH22 ARG 93 -13.159 12.317 -13.068 710 H LYS 94 H LYS 94 -9.271 6.408 -13.739 711 HA LYS 94 HA LYS 94 -7.656 4.083 -12.952 712 HB2 LYS 94 HB2 LYS 94 -6.382 6.791 -13.195 713 HB3 LYS 94 HB3 LYS 94 -5.848 5.246 -13.822 714 HG2 LYS 94 HG2 LYS 94 -6.339 6.135 -15.835 715 HG3 LYS 94 HG3 LYS 94 -8.045 5.783 -15.432 716 HD2 LYS 94 HD2 LYS 94 -8.025 7.991 -14.127 717 HD3 LYS 94 HD3 LYS 94 -6.463 8.337 -14.864 718 HE2 LYS 94 HE2 LYS 94 -7.475 8.428 -17.062 719 HE3 LYS 94 HE3 LYS 94 -9.048 7.906 -16.387 720 HZ1 LYS 94 HZ1 LYS 94 -9.102 9.874 -15.017 721 HZ2 LYS 94 HZ2 LYS 94 -7.593 10.338 -15.488 722 HZ3 LYS 94 HZ3 LYS 94 -8.838 10.368 -16.572 723 H ALA 95 H ALA 95 -6.814 3.763 -10.825 724 HA ALA 95 HA ALA 95 -5.654 6.203 -9.748 725 HB1 ALA 95 HB1 ALA 95 -7.587 4.618 -8.073 726 HB2 ALA 95 HB2 ALA 95 -6.517 5.916 -7.489 727 HB3 ALA 95 HB3 ALA 95 -7.803 6.291 -8.653 728 H PHE 96 H PHE 96 -3.680 5.613 -9.647 729 HA PHE 96 HA PHE 96 -3.034 3.480 -7.742 730 HB2 PHE 96 HB2 PHE 96 -0.867 3.095 -8.866 731 HB3 PHE 96 HB3 PHE 96 -2.254 2.586 -9.832 732 HD1 PHE 96 HD1 PHE 96 -2.704 3.526 -11.981 733 HD2 PHE 96 HD2 PHE 96 0.381 5.204 -9.490 734 HE1 PHE 96 HE1 PHE 96 -1.871 4.854 -13.920 735 HE2 PHE 96 HE2 PHE 96 1.216 6.544 -11.419 736 HZ PHE 96 HZ PHE 96 0.097 6.361 -13.644 737 H CYS 97 H CYS 97 -1.744 4.090 -6.174 738 HA CYS 97 HA CYS 97 -0.610 6.837 -6.216 739 HB2 CYS 97 HB2 CYS 97 -1.618 5.156 -3.899 740 HB3 CYS 97 HB3 CYS 97 -0.857 6.765 -3.763 741 H SER 98 H SER 98 1.339 7.121 -5.034 742 HA SER 98 HA SER 98 2.903 4.610 -4.594 743 HB2 SER 98 HB2 SER 98 3.897 7.145 -5.942 744 HB3 SER 98 HB3 SER 98 4.903 5.761 -5.487 745 HG SER 98 HG SER 98 3.806 4.488 -6.946 746 H PHE 99 H PHE 99 3.259 4.495 -2.513 747 HA PHE 99 HA PHE 99 3.755 7.049 -1.034 748 HB2 PHE 99 HB2 PHE 99 3.083 4.261 0.003 749 HB3 PHE 99 HB3 PHE 99 3.193 5.741 0.962 750 HD1 PHE 99 HD1 PHE 99 1.648 7.739 -0.171 751 HD2 PHE 99 HD2 PHE 99 0.918 3.510 -0.403 752 HE1 PHE 99 HE1 PHE 99 -0.752 8.192 -0.634 753 HE2 PHE 99 HE2 PHE 99 -1.499 3.955 -0.821 754 HZ PHE 99 HZ PHE 99 -2.336 6.298 -0.947 755 H GLN 100 H GLN 100 5.749 7.441 -0.369 756 HA GLN 100 HA GLN 100 7.720 5.204 -0.520 757 HB2 GLN 100 HB2 GLN 100 8.164 8.035 -1.507 758 HB3 GLN 100 HB3 GLN 100 9.330 6.703 -1.546 759 HG2 GLN 100 HG2 GLN 100 7.555 5.439 -2.951 760 HG3 GLN 100 HG3 GLN 100 6.759 7.005 -3.142 761 HE21 GLN 100 HE21 GLN 100 8.246 5.041 -4.956 762 HE22 GLN 100 HE22 GLN 100 9.362 6.062 -5.830 763 H ILE 101 H ILE 101 8.404 4.808 1.401 764 HA ILE 101 HA ILE 101 8.399 6.993 3.431 765 HB ILE 101 HB ILE 101 8.602 3.960 3.785 766 HG12 ILE 101 HG12 ILE 101 6.174 5.639 4.451 767 HG13 ILE 101 HG13 ILE 101 6.373 4.911 2.856 768 HG21 ILE 101 HG21 ILE 101 9.605 5.246 5.666 769 HG22 ILE 101 HG22 ILE 101 8.094 6.167 5.844 770 HG23 ILE 101 HG23 ILE 101 8.124 4.423 6.183 771 HD11 ILE 101 HD11 ILE 101 6.227 3.392 5.485 772 HD12 ILE 101 HD12 ILE 101 4.969 3.486 4.233 773 HD13 ILE 101 HD13 ILE 101 6.504 2.659 3.887 774 H TYR 102 H TYR 102 10.318 7.773 4.184 775 HA TYR 102 HA TYR 102 12.788 6.287 3.377 776 HB2 TYR 102 HB2 TYR 102 12.826 8.658 2.805 777 HB3 TYR 102 HB3 TYR 102 12.329 9.098 4.448 778 HD1 TYR 102 HD1 TYR 102 14.019 9.848 5.890 779 HD2 TYR 102 HD2 TYR 102 15.040 7.031 2.806 780 HE1 TYR 102 HE1 TYR 102 16.410 9.921 6.596 781 HE2 TYR 102 HE2 TYR 102 17.412 7.109 3.518 782 HH TYR 102 HH TYR 102 18.538 9.147 6.213 783 H ALA 103 H ALA 103 13.739 5.059 4.904 784 HA ALA 103 HA ALA 103 12.862 5.438 7.701 785 HB1 ALA 103 HB1 ALA 103 14.118 3.112 6.291 786 HB2 ALA 103 HB2 ALA 103 13.791 3.211 8.038 787 HB3 ALA 103 HB3 ALA 103 12.442 3.228 6.875 788 H VAL 104 H VAL 104 14.339 5.986 9.180 789 HA VAL 104 HA VAL 104 16.884 6.972 7.935 790 HB VAL 104 HB VAL 104 16.179 7.523 10.794 791 HG11 VAL 104 HG11 VAL 104 16.769 9.661 10.385 792 HG12 VAL 104 HG12 VAL 104 17.965 8.547 9.672 793 HG13 VAL 104 HG13 VAL 104 16.757 9.367 8.642 794 HG21 VAL 104 HG21 VAL 104 14.447 9.175 10.270 795 HG22 VAL 104 HG22 VAL 104 14.331 8.436 8.649 796 HG23 VAL 104 HG23 VAL 104 14.032 7.471 10.113 797 HA PRO 105 HA PRO 105 17.059 3.324 10.136 798 HB2 PRO 105 HB2 PRO 105 19.456 2.041 9.529 799 HB3 PRO 105 HB3 PRO 105 18.080 2.118 8.377 800 HG2 PRO 105 HG2 PRO 105 20.498 3.928 8.545 801 HG3 PRO 105 HG3 PRO 105 19.839 3.072 7.116 802 HD2 PRO 105 HD2 PRO 105 19.240 5.679 7.634 803 HD3 PRO 105 HD3 PRO 105 18.035 4.557 6.915 804 H TRP 106 H TRP 106 19.689 5.561 10.191 805 HA TRP 106 HA TRP 106 21.223 4.680 12.388 806 HB2 TRP 106 HB2 TRP 106 21.591 6.531 10.612 807 HB3 TRP 106 HB3 TRP 106 20.639 7.572 11.683 808 HD1 TRP 106 HD1 TRP 106 21.839 8.335 13.965 809 HE1 TRP 106 HE1 TRP 106 24.223 8.297 14.831 810 HE3 TRP 106 HE3 TRP 106 23.776 5.079 10.529 811 HZ2 TRP 106 HZ2 TRP 106 26.680 7.012 14.140 812 HZ3 TRP 106 HZ3 TRP 106 26.199 4.461 10.694 813 HH2 TRP 106 HH2 TRP 106 27.628 5.431 12.495 814 H GLN 107 H GLN 107 18.163 6.396 12.232 815 HA GLN 107 HA GLN 107 18.313 6.965 15.143 816 HB2 GLN 107 HB2 GLN 107 16.486 8.021 12.975 817 HB3 GLN 107 HB3 GLN 107 16.406 8.485 14.675 818 HG2 GLN 107 HG2 GLN 107 18.709 8.998 12.758 819 HG3 GLN 107 HG3 GLN 107 17.537 10.185 13.342 820 HE21 GLN 107 HE21 GLN 107 17.380 9.950 15.957 821 HE22 GLN 107 HE22 GLN 107 18.944 10.116 16.716 822 H GLY 108 H GLY 108 17.144 4.533 13.135 823 HA2 GLY 108 HA2 GLY 108 15.696 2.789 13.604 824 HA3 GLY 108 HA3 GLY 108 15.636 3.371 15.277 825 H THR 109 H THR 109 14.782 5.303 12.529 826 HA THR 109 HA THR 109 11.893 5.276 13.291 827 HB THR 109 HB THR 109 12.179 7.793 12.493 828 HG1 THR 109 HG1 THR 109 14.608 7.378 13.859 829 HG21 THR 109 HG21 THR 109 12.964 6.820 15.282 830 HG22 THR 109 HG22 THR 109 12.453 8.477 14.877 831 HG23 THR 109 HG23 THR 109 11.302 7.131 14.721 832 H MET 110 H MET 110 10.549 6.274 11.507 833 HA MET 110 HA MET 110 12.018 6.576 8.961 834 HB2 MET 110 HB2 MET 110 10.469 5.036 7.752 835 HB3 MET 110 HB3 MET 110 11.301 4.150 9.025 836 HG2 MET 110 HG2 MET 110 9.255 4.350 10.452 837 HG3 MET 110 HG3 MET 110 8.423 5.110 9.082 838 HE1 MET 110 HE1 MET 110 9.764 0.665 9.359 839 HE2 MET 110 HE2 MET 110 10.966 1.975 9.388 840 HE3 MET 110 HE3 MET 110 9.771 1.837 10.700 841 H THR 111 H THR 111 10.572 7.711 7.388 842 HA THR 111 HA THR 111 8.087 8.931 8.496 843 HB THR 111 HB THR 111 10.475 10.478 7.372 844 HG1 THR 111 HG1 THR 111 9.493 10.007 9.969 845 HG21 THR 111 HG21 THR 111 9.147 12.467 8.090 846 HG22 THR 111 HG22 THR 111 8.451 11.573 6.718 847 HG23 THR 111 HG23 THR 111 7.758 11.388 8.355 848 H LEU 112 H LEU 112 6.569 9.360 6.812 849 HA LEU 112 HA LEU 112 7.073 8.286 4.226 850 HB2 LEU 112 HB2 LEU 112 4.867 8.616 5.368 851 HB3 LEU 112 HB3 LEU 112 5.020 10.342 5.097 852 HG LEU 112 HG LEU 112 4.965 9.895 2.629 853 HD11 LEU 112 HD11 LEU 112 4.164 7.632 1.941 854 HD12 LEU 112 HD12 LEU 112 5.794 7.607 2.638 855 HD13 LEU 112 HD13 LEU 112 4.411 7.076 3.617 856 HD21 LEU 112 HD21 LEU 112 2.544 9.314 2.605 857 HD22 LEU 112 HD22 LEU 112 2.659 8.809 4.302 858 HD23 LEU 112 HD23 LEU 112 2.931 10.510 3.859 859 H SER 113 H SER 113 8.403 9.109 2.772 860 HA SER 113 HA SER 113 9.241 11.917 2.886 861 HB2 SER 113 HB2 SER 113 10.867 10.112 2.402 862 HB3 SER 113 HB3 SER 113 9.950 9.682 0.943 863 HG SER 113 HG SER 113 10.379 12.265 0.791 864 H LYS 114 H LYS 114 7.210 9.770 0.887 865 HA LYS 114 HA LYS 114 6.011 12.193 -0.312 866 HB2 LYS 114 HB2 LYS 114 7.849 11.642 -1.840 867 HB3 LYS 114 HB3 LYS 114 7.222 9.996 -1.994 868 HG2 LYS 114 HG2 LYS 114 5.151 10.840 -3.027 869 HG3 LYS 114 HG3 LYS 114 5.705 12.515 -2.796 870 HD2 LYS 114 HD2 LYS 114 6.127 11.984 -5.062 871 HD3 LYS 114 HD3 LYS 114 7.705 11.915 -4.241 872 HE2 LYS 114 HE2 LYS 114 7.386 9.458 -3.979 873 HE3 LYS 114 HE3 LYS 114 5.896 9.578 -4.929 874 HZ1 LYS 114 HZ1 LYS 114 7.794 8.942 -6.287 875 HZ2 LYS 114 HZ2 LYS 114 7.226 10.415 -6.773 876 HZ3 LYS 114 HZ3 LYS 114 8.607 10.312 -5.872 877 H SER 115 H SER 115 3.920 12.022 -0.678 878 HA SER 115 HA SER 115 2.726 9.323 -1.119 879 HB2 SER 115 HB2 SER 115 0.663 10.940 -0.249 880 HB3 SER 115 HB3 SER 115 1.519 9.779 0.788 881 HG SER 115 HG SER 115 1.514 11.850 1.732 882 H THR 116 H THR 116 1.843 9.270 -3.146 883 HA THR 116 HA THR 116 0.888 11.819 -4.275 884 HB THR 116 HB THR 116 3.337 11.520 -4.992 885 HG1 THR 116 HG1 THR 116 1.935 12.773 -6.234 886 HG21 THR 116 HG21 THR 116 2.148 9.273 -6.671 887 HG22 THR 116 HG22 THR 116 3.815 9.887 -6.728 888 HG23 THR 116 HG23 THR 116 3.226 9.043 -5.278 889 H CYS 117 H CYS 117 -0.541 11.356 -6.166 890 HA CYS 117 HA CYS 117 -1.482 8.557 -6.295 891 HB2 CYS 117 HB2 CYS 117 -2.951 10.877 -5.077 892 HB3 CYS 117 HB3 CYS 117 -3.856 9.616 -5.919 893 H GLN 118 H GLN 118 -3.543 8.512 -7.686 894 HA GLN 118 HA GLN 118 -2.944 10.051 -10.186 895 HB2 GLN 118 HB2 GLN 118 -4.014 7.390 -9.426 896 HB3 GLN 118 HB3 GLN 118 -4.773 8.134 -10.839 897 HG2 GLN 118 HG2 GLN 118 -1.816 7.759 -10.546 898 HG3 GLN 118 HG3 GLN 118 -2.914 6.556 -11.238 899 HE21 GLN 118 HE21 GLN 118 -1.326 9.619 -11.732 900 HE22 GLN 118 HE22 GLN 118 -1.792 9.805 -13.407 901 H ASP 119 H ASP 119 -4.524 11.032 -11.381 902 HA ASP 119 HA ASP 119 -6.963 11.875 -10.000 903 HB2 ASP 119 HB2 ASP 119 -5.870 12.334 -12.798 904 HB3 ASP 119 HB3 ASP 119 -7.401 13.002 -12.213 905 H ALA 120 H ALA 120 -8.986 11.135 -10.430 906 HA ALA 120 HA ALA 120 -9.204 8.519 -11.558 907 HB1 ALA 120 HB1 ALA 120 -11.393 10.464 -10.710 908 HB2 ALA 120 HB2 ALA 120 -11.576 8.709 -10.939 909 HB3 ALA 120 HB3 ALA 120 -10.550 9.325 -9.630 Start of MODEL 4 1 H1 SER 1 H1 SER 1 28.476 -0.672 13.616 2 H2 SER 1 H2 SER 1 27.368 0.269 12.906 3 H3 SER 1 H3 SER 1 28.669 0.933 13.600 4 HA SER 1 HA SER 1 28.705 -0.799 11.212 5 HB2 SER 1 HB2 SER 1 29.293 2.174 11.504 6 HB3 SER 1 HB3 SER 1 29.357 1.232 9.994 7 HG SER 1 HG SER 1 27.346 2.364 10.304 8 H SER 2 H SER 2 30.970 -0.588 10.083 9 HA SER 2 HA SER 2 33.131 -0.091 12.027 10 HB2 SER 2 HB2 SER 2 32.542 -2.466 12.375 11 HB3 SER 2 HB3 SER 2 32.753 -2.773 10.637 12 HG SER 2 HG SER 2 34.610 -3.248 12.036 13 HA PRO 3 HA PRO 3 34.754 1.262 8.066 14 HB2 PRO 3 HB2 PRO 3 37.099 2.324 8.870 15 HB3 PRO 3 HB3 PRO 3 35.551 3.003 9.465 16 HG2 PRO 3 HG2 PRO 3 37.373 1.005 10.787 17 HG3 PRO 3 HG3 PRO 3 36.721 2.538 11.446 18 HD2 PRO 3 HD2 PRO 3 35.565 0.098 11.913 19 HD3 PRO 3 HD3 PRO 3 34.616 1.622 11.812 20 H GLY 4 H GLY 4 37.265 1.201 7.086 21 HA2 GLY 4 HA2 GLY 4 39.156 -0.056 6.591 22 HA3 GLY 4 HA3 GLY 4 38.635 -1.299 7.730 23 H LYS 5 H LYS 5 35.944 -0.952 6.000 24 HA LYS 5 HA LYS 5 36.578 -3.272 4.340 25 HB2 LYS 5 HB2 LYS 5 34.035 -1.615 4.603 26 HB3 LYS 5 HB3 LYS 5 34.180 -3.142 3.715 27 HG2 LYS 5 HG2 LYS 5 34.882 -4.252 5.853 28 HG3 LYS 5 HG3 LYS 5 34.540 -2.734 6.706 29 HD2 LYS 5 HD2 LYS 5 32.193 -2.844 5.924 30 HD3 LYS 5 HD3 LYS 5 32.556 -4.385 5.110 31 HE2 LYS 5 HE2 LYS 5 33.278 -5.321 7.323 32 HE3 LYS 5 HE3 LYS 5 32.750 -3.810 8.095 33 HZ1 LYS 5 HZ1 LYS 5 31.013 -5.671 6.569 34 HZ2 LYS 5 HZ2 LYS 5 31.042 -5.514 8.210 35 HZ3 LYS 5 HZ3 LYS 5 30.509 -4.266 7.271 36 HA PRO 6 HA PRO 6 37.554 -0.834 0.803 37 HB2 PRO 6 HB2 PRO 6 36.971 -2.517 -1.278 38 HB3 PRO 6 HB3 PRO 6 38.361 -2.803 -0.181 39 HG2 PRO 6 HG2 PRO 6 35.591 -3.975 -0.059 40 HG3 PRO 6 HG3 PRO 6 37.174 -4.820 -0.042 41 HD2 PRO 6 HD2 PRO 6 35.859 -4.290 2.244 42 HD3 PRO 6 HD3 PRO 6 37.649 -4.122 2.154 43 HA PRO 7 HA PRO 7 33.767 1.028 -0.330 44 HB2 PRO 7 HB2 PRO 7 34.201 2.109 -2.816 45 HB3 PRO 7 HB3 PRO 7 34.958 2.752 -1.322 46 HG2 PRO 7 HG2 PRO 7 36.111 0.835 -3.339 47 HG3 PRO 7 HG3 PRO 7 36.826 2.341 -2.675 48 HD2 PRO 7 HD2 PRO 7 37.482 -0.065 -1.676 49 HD3 PRO 7 HD3 PRO 7 37.259 1.351 -0.591 50 H ARG 8 H ARG 8 32.044 -0.207 -0.616 51 HA ARG 8 HA ARG 8 31.367 -1.177 -3.303 52 HB2 ARG 8 HB2 ARG 8 32.702 -3.042 -2.155 53 HB3 ARG 8 HB3 ARG 8 31.428 -3.105 -0.933 54 HG2 ARG 8 HG2 ARG 8 29.793 -3.757 -2.650 55 HG3 ARG 8 HG3 ARG 8 31.036 -3.604 -3.909 56 HD2 ARG 8 HD2 ARG 8 32.374 -5.363 -2.771 57 HD3 ARG 8 HD3 ARG 8 31.084 -5.545 -1.566 58 HE ARG 8 HE ARG 8 29.934 -5.862 -4.137 59 HH11 ARG 8 HH11 ARG 8 32.213 -7.599 -2.072 60 HH12 ARG 8 HH12 ARG 8 31.796 -9.146 -2.760 61 HH21 ARG 8 HH21 ARG 8 29.461 -7.873 -4.967 62 HH22 ARG 8 HH22 ARG 8 30.275 -9.292 -4.371 63 H LEU 9 H LEU 9 29.030 -1.347 -3.399 64 HA LEU 9 HA LEU 9 27.664 0.288 -1.450 65 HB2 LEU 9 HB2 LEU 9 26.542 -1.550 -3.587 66 HB3 LEU 9 HB3 LEU 9 25.626 -0.334 -2.708 67 HG LEU 9 HG LEU 9 27.911 0.271 -4.619 68 HD11 LEU 9 HD11 LEU 9 24.897 0.500 -4.985 69 HD12 LEU 9 HD12 LEU 9 26.134 1.030 -6.149 70 HD13 LEU 9 HD13 LEU 9 25.959 -0.695 -5.766 71 HD21 LEU 9 HD21 LEU 9 25.902 2.095 -3.228 72 HD22 LEU 9 HD22 LEU 9 27.657 2.034 -2.936 73 HD23 LEU 9 HD23 LEU 9 27.040 2.602 -4.498 74 H VAL 10 H VAL 10 28.275 -3.063 -1.581 75 HA VAL 10 HA VAL 10 27.925 -4.634 -0.006 76 HB VAL 10 HB VAL 10 27.586 -2.078 1.493 77 HG11 VAL 10 HG11 VAL 10 26.820 -4.722 2.656 78 HG12 VAL 10 HG12 VAL 10 27.213 -3.240 3.574 79 HG13 VAL 10 HG13 VAL 10 25.834 -3.239 2.467 80 HG21 VAL 10 HG21 VAL 10 29.775 -3.058 1.004 81 HG22 VAL 10 HG22 VAL 10 29.468 -3.006 2.748 82 HG23 VAL 10 HG23 VAL 10 29.314 -4.547 1.868 83 H GLY 11 H GLY 11 25.044 -2.569 -0.417 84 HA2 GLY 11 HA2 GLY 11 23.440 -5.079 -0.513 85 HA3 GLY 11 HA3 GLY 11 22.895 -3.715 0.502 86 H GLY 12 H GLY 12 21.053 -4.095 -1.293 87 HA2 GLY 12 HA2 GLY 12 21.250 -1.818 -3.042 88 HA3 GLY 12 HA3 GLY 12 21.375 -3.345 -3.949 89 HA PRO 13 HA PRO 13 16.904 -2.240 -2.900 90 HB2 PRO 13 HB2 PRO 13 16.571 -2.496 -5.871 91 HB3 PRO 13 HB3 PRO 13 15.884 -1.269 -4.760 92 HG2 PRO 13 HG2 PRO 13 17.850 -0.635 -6.404 93 HG3 PRO 13 HG3 PRO 13 17.856 -0.060 -4.711 94 HD2 PRO 13 HD2 PRO 13 19.361 -2.375 -5.916 95 HD3 PRO 13 HD3 PRO 13 19.955 -1.053 -4.845 96 H MET 14 H MET 14 15.181 -3.689 -2.809 97 HA MET 14 HA MET 14 15.240 -6.130 -4.476 98 HB2 MET 14 HB2 MET 14 15.010 -7.627 -2.546 99 HB3 MET 14 HB3 MET 14 16.554 -6.772 -2.482 100 HG2 MET 14 HG2 MET 14 15.607 -5.198 -0.811 101 HG3 MET 14 HG3 MET 14 14.061 -6.054 -0.879 102 HE1 MET 14 HE1 MET 14 17.973 -7.857 0.923 103 HE2 MET 14 HE2 MET 14 17.758 -7.770 -0.839 104 HE3 MET 14 HE3 MET 14 17.877 -6.274 0.116 105 H ASP 15 H ASP 15 13.098 -6.988 -4.705 106 HA ASP 15 HA ASP 15 10.952 -5.240 -3.648 107 HB2 ASP 15 HB2 ASP 15 11.070 -7.478 -5.674 108 HB3 ASP 15 HB3 ASP 15 9.539 -7.082 -4.880 109 H ALA 16 H ALA 16 9.365 -6.114 -2.159 110 HA ALA 16 HA ALA 16 10.082 -8.748 -0.884 111 HB1 ALA 16 HB1 ALA 16 9.141 -6.166 0.342 112 HB2 ALA 16 HB2 ALA 16 9.060 -7.737 1.169 113 HB3 ALA 16 HB3 ALA 16 10.642 -7.061 0.696 114 H SER 17 H SER 17 8.224 -9.800 -0.142 115 HA SER 17 HA SER 17 6.065 -9.649 -2.108 116 HB2 SER 17 HB2 SER 17 5.902 -11.271 0.426 117 HB3 SER 17 HB3 SER 17 5.358 -11.688 -1.211 118 HG SER 17 HG SER 17 7.845 -11.944 -0.009 119 H VAL 18 H VAL 18 3.780 -9.252 -1.548 120 HA VAL 18 HA VAL 18 3.453 -7.084 0.330 121 HB VAL 18 HB VAL 18 1.098 -7.121 -0.254 122 HG11 VAL 18 HG11 VAL 18 1.240 -6.841 -2.655 123 HG12 VAL 18 HG12 VAL 18 2.764 -6.276 -1.933 124 HG13 VAL 18 HG13 VAL 18 2.693 -7.862 -2.736 125 HG21 VAL 18 HG21 VAL 18 0.652 -9.546 -0.151 126 HG22 VAL 18 HG22 VAL 18 0.108 -8.876 -1.697 127 HG23 VAL 18 HG23 VAL 18 1.618 -9.806 -1.619 128 H GLU 19 H GLU 19 3.488 -10.473 0.448 129 HA GLU 19 HA GLU 19 2.007 -10.884 2.889 130 HB2 GLU 19 HB2 GLU 19 4.057 -12.458 1.311 131 HB3 GLU 19 HB3 GLU 19 3.327 -13.059 2.807 132 HG2 GLU 19 HG2 GLU 19 2.002 -14.021 1.159 133 HG3 GLU 19 HG3 GLU 19 1.064 -12.616 1.703 134 H GLU 20 H GLU 20 5.327 -9.858 2.122 135 HA GLU 20 HA GLU 20 6.323 -10.511 4.647 136 HB2 GLU 20 HB2 GLU 20 7.319 -8.628 2.610 137 HB3 GLU 20 HB3 GLU 20 7.814 -8.334 4.289 138 HG2 GLU 20 HG2 GLU 20 9.344 -9.701 3.574 139 HG3 GLU 20 HG3 GLU 20 8.159 -10.708 4.452 140 H GLU 21 H GLU 21 6.542 -9.912 6.496 141 HA GLU 21 HA GLU 21 4.696 -8.123 7.258 142 HB2 GLU 21 HB2 GLU 21 6.654 -9.705 8.645 143 HB3 GLU 21 HB3 GLU 21 6.427 -8.140 9.436 144 HG2 GLU 21 HG2 GLU 21 4.247 -10.168 8.815 145 HG3 GLU 21 HG3 GLU 21 4.939 -9.826 10.410 146 H GLY 22 H GLY 22 8.003 -7.668 6.482 147 HA2 GLY 22 HA2 GLY 22 8.340 -5.033 7.518 148 HA3 GLY 22 HA3 GLY 22 9.227 -5.728 6.146 149 H VAL 23 H VAL 23 6.655 -6.279 4.672 150 HA VAL 23 HA VAL 23 6.263 -3.580 3.574 151 HB VAL 23 HB VAL 23 5.199 -6.352 2.784 152 HG11 VAL 23 HG11 VAL 23 3.576 -4.833 2.039 153 HG12 VAL 23 HG12 VAL 23 4.804 -3.711 1.399 154 HG13 VAL 23 HG13 VAL 23 4.535 -5.308 0.643 155 HG21 VAL 23 HG21 VAL 23 6.679 -6.098 0.835 156 HG22 VAL 23 HG22 VAL 23 7.290 -4.575 1.526 157 HG23 VAL 23 HG23 VAL 23 7.556 -6.125 2.372 158 H ARG 24 H ARG 24 4.225 -6.202 4.979 159 HA ARG 24 HA ARG 24 1.735 -4.995 4.715 160 HB2 ARG 24 HB2 ARG 24 2.823 -6.704 6.979 161 HB3 ARG 24 HB3 ARG 24 1.111 -6.304 6.767 162 HG2 ARG 24 HG2 ARG 24 0.995 -7.501 4.690 163 HG3 ARG 24 HG3 ARG 24 2.748 -7.712 4.632 164 HD2 ARG 24 HD2 ARG 24 1.427 -9.760 5.293 165 HD3 ARG 24 HD3 ARG 24 2.764 -9.288 6.355 166 HE ARG 24 HE ARG 24 1.322 -8.784 8.075 167 HH11 ARG 24 HH11 ARG 24 -0.608 -9.374 5.159 168 HH12 ARG 24 HH12 ARG 24 -2.106 -9.402 6.052 169 HH21 ARG 24 HH21 ARG 24 -0.590 -8.831 9.120 170 HH22 ARG 24 HH22 ARG 24 -2.094 -9.100 8.274 171 H ARG 25 H ARG 25 3.993 -4.557 7.472 172 HA ARG 25 HA ARG 25 2.238 -2.811 8.892 173 HB2 ARG 25 HB2 ARG 25 4.197 -2.134 10.140 174 HB3 ARG 25 HB3 ARG 25 4.192 -3.890 9.902 175 HG2 ARG 25 HG2 ARG 25 6.312 -3.721 9.171 176 HG3 ARG 25 HG3 ARG 25 5.723 -2.865 7.726 177 HD2 ARG 25 HD2 ARG 25 5.830 -0.729 9.018 178 HD3 ARG 25 HD3 ARG 25 6.461 -1.627 10.411 179 HE ARG 25 HE ARG 25 7.980 -1.897 7.909 180 HH11 ARG 25 HH11 ARG 25 7.708 -0.211 11.003 181 HH12 ARG 25 HH12 ARG 25 9.360 0.341 10.959 182 HH21 ARG 25 HH21 ARG 25 10.084 -1.151 7.926 183 HH22 ARG 25 HH22 ARG 25 10.670 -0.181 9.251 184 H ALA 26 H ALA 26 4.345 -2.122 6.164 185 HA ALA 26 HA ALA 26 4.375 0.742 6.646 186 HB1 ALA 26 HB1 ALA 26 5.752 0.770 4.604 187 HB2 ALA 26 HB2 ALA 26 6.376 -0.454 5.727 188 HB3 ALA 26 HB3 ALA 26 5.411 -0.946 4.313 189 H LEU 27 H LEU 27 2.727 -1.767 4.814 190 HA LEU 27 HA LEU 27 1.487 -0.088 2.868 191 HB2 LEU 27 HB2 LEU 27 0.422 -2.644 4.171 192 HB3 LEU 27 HB3 LEU 27 -0.272 -1.854 2.772 193 HG LEU 27 HG LEU 27 2.223 -3.504 2.964 194 HD11 LEU 27 HD11 LEU 27 0.068 -4.566 2.427 195 HD12 LEU 27 HD12 LEU 27 -0.143 -3.457 1.052 196 HD13 LEU 27 HD13 LEU 27 1.187 -4.638 1.053 197 HD21 LEU 27 HD21 LEU 27 3.060 -1.604 1.843 198 HD22 LEU 27 HD22 LEU 27 2.678 -2.786 0.583 199 HD23 LEU 27 HD23 LEU 27 1.581 -1.415 0.869 200 H ASP 28 H ASP 28 0.213 -1.409 5.959 201 HA ASP 28 HA ASP 28 -2.166 0.203 5.710 202 HB2 ASP 28 HB2 ASP 28 -0.998 -1.544 7.858 203 HB3 ASP 28 HB3 ASP 28 -2.350 -0.460 8.236 204 H PHE 29 H PHE 29 0.959 0.657 7.277 205 HA PHE 29 HA PHE 29 0.265 2.972 8.805 206 HB2 PHE 29 HB2 PHE 29 2.390 1.751 9.047 207 HB3 PHE 29 HB3 PHE 29 2.859 2.221 7.412 208 HD1 PHE 29 HD1 PHE 29 2.476 3.324 10.902 209 HD2 PHE 29 HD2 PHE 29 3.527 4.564 6.918 210 HE1 PHE 29 HE1 PHE 29 3.522 5.393 11.822 211 HE2 PHE 29 HE2 PHE 29 4.580 6.623 7.828 212 HZ PHE 29 HZ PHE 29 4.582 7.045 10.280 213 H ALA 30 H ALA 30 1.537 2.570 5.429 214 HA ALA 30 HA ALA 30 1.607 5.355 4.817 215 HB1 ALA 30 HB1 ALA 30 1.478 4.679 2.471 216 HB2 ALA 30 HB2 ALA 30 2.517 3.556 3.379 217 HB3 ALA 30 HB3 ALA 30 0.852 3.083 2.943 218 H VAL 31 H VAL 31 -1.238 3.185 4.525 219 HA VAL 31 HA VAL 31 -2.906 5.118 3.119 220 HB VAL 31 HB VAL 31 -4.183 3.136 4.934 221 HG11 VAL 31 HG11 VAL 31 -4.459 3.685 2.025 222 HG12 VAL 31 HG12 VAL 31 -5.446 2.558 2.991 223 HG13 VAL 31 HG13 VAL 31 -5.479 4.278 3.368 224 HG21 VAL 31 HG21 VAL 31 -2.313 2.248 2.867 225 HG22 VAL 31 HG22 VAL 31 -2.345 1.993 4.637 226 HG23 VAL 31 HG23 VAL 31 -3.592 1.242 3.615 227 H GLY 32 H GLY 32 -2.261 3.992 6.401 228 HA2 GLY 32 HA2 GLY 32 -4.494 5.233 7.649 229 HA3 GLY 32 HA3 GLY 32 -2.979 4.763 8.445 230 H GLU 33 H GLU 33 -1.338 6.204 6.569 231 HA GLU 33 HA GLU 33 -1.499 8.804 8.033 232 HB2 GLU 33 HB2 GLU 33 0.543 7.427 7.816 233 HB3 GLU 33 HB3 GLU 33 0.530 7.706 6.077 234 HG2 GLU 33 HG2 GLU 33 0.931 10.093 6.457 235 HG3 GLU 33 HG3 GLU 33 0.893 9.818 8.212 236 H TYR 34 H TYR 34 -2.004 7.528 4.846 237 HA TYR 34 HA TYR 34 -1.982 10.198 3.794 238 HB2 TYR 34 HB2 TYR 34 -0.955 8.417 2.467 239 HB3 TYR 34 HB3 TYR 34 -2.553 7.692 2.231 240 HD1 TYR 34 HD1 TYR 34 -0.465 10.715 1.556 241 HD2 TYR 34 HD2 TYR 34 -4.116 8.645 0.608 242 HE1 TYR 34 HE1 TYR 34 -0.870 12.281 -0.350 243 HE2 TYR 34 HE2 TYR 34 -4.519 10.218 -1.275 244 HH TYR 34 HH TYR 34 -3.792 12.083 -2.382 245 H ASN 35 H ASN 35 -4.210 7.558 3.675 246 HA ASN 35 HA ASN 35 -6.379 9.183 2.591 247 HB2 ASN 35 HB2 ASN 35 -5.821 6.273 3.162 248 HB3 ASN 35 HB3 ASN 35 -7.490 6.801 2.845 249 HD21 ASN 35 HD21 ASN 35 -4.896 5.471 1.424 250 HD22 ASN 35 HD22 ASN 35 -5.131 6.034 -0.212 251 H LYS 36 H LYS 36 -5.857 7.123 5.440 252 HA LYS 36 HA LYS 36 -8.399 7.834 6.659 253 HB2 LYS 36 HB2 LYS 36 -7.328 5.720 7.163 254 HB3 LYS 36 HB3 LYS 36 -5.847 6.555 7.614 255 HG2 LYS 36 HG2 LYS 36 -8.196 7.270 9.250 256 HG3 LYS 36 HG3 LYS 36 -7.618 5.601 9.414 257 HD2 LYS 36 HD2 LYS 36 -5.511 6.240 10.191 258 HD3 LYS 36 HD3 LYS 36 -5.582 7.824 9.425 259 HE2 LYS 36 HE2 LYS 36 -7.446 7.116 11.710 260 HE3 LYS 36 HE3 LYS 36 -5.804 7.728 12.003 261 HZ1 LYS 36 HZ1 LYS 36 -7.581 9.477 11.909 262 HZ2 LYS 36 HZ2 LYS 36 -6.328 9.735 10.870 263 HZ3 LYS 36 HZ3 LYS 36 -7.761 9.170 10.293 264 H ALA 37 H ALA 37 -5.101 9.111 6.741 265 HA ALA 37 HA ALA 37 -5.473 10.663 9.123 266 HB1 ALA 37 HB1 ALA 37 -3.290 10.011 8.024 267 HB2 ALA 37 HB2 ALA 37 -3.631 11.349 6.893 268 HB3 ALA 37 HB3 ALA 37 -3.459 11.683 8.625 269 H SER 38 H SER 38 -6.060 11.016 5.651 270 HA SER 38 HA SER 38 -6.976 13.796 5.823 271 HB2 SER 38 HB2 SER 38 -6.051 12.792 3.738 272 HB3 SER 38 HB3 SER 38 -7.441 11.692 3.673 273 HG SER 38 HG SER 38 -7.805 13.505 2.378 274 H ASN 39 H ASN 39 -9.229 14.433 5.403 275 HA ASN 39 HA ASN 39 -11.108 12.686 6.892 276 HB2 ASN 39 HB2 ASN 39 -10.734 15.187 7.327 277 HB3 ASN 39 HB3 ASN 39 -11.634 15.449 5.826 278 HD21 ASN 39 HD21 ASN 39 -13.726 15.827 6.120 279 HD22 ASN 39 HD22 ASN 39 -14.691 15.230 7.448 280 H ASP 40 H ASP 40 -10.728 11.408 4.666 281 HA ASP 40 HA ASP 40 -12.242 12.297 2.396 282 HB2 ASP 40 HB2 ASP 40 -10.451 10.453 2.504 283 HB3 ASP 40 HB3 ASP 40 -11.746 9.388 3.071 284 H MET 41 H MET 41 -14.314 12.212 1.930 285 HA MET 41 HA MET 41 -16.320 11.661 3.909 286 HB2 MET 41 HB2 MET 41 -16.524 11.970 0.890 287 HB3 MET 41 HB3 MET 41 -17.888 12.018 2.014 288 HG2 MET 41 HG2 MET 41 -16.925 14.018 3.101 289 HG3 MET 41 HG3 MET 41 -15.583 13.996 1.943 290 HE1 MET 41 HE1 MET 41 -15.699 14.812 -0.514 291 HE2 MET 41 HE2 MET 41 -16.715 13.399 -0.882 292 HE3 MET 41 HE3 MET 41 -17.210 15.017 -1.429 293 H TYR 42 H TYR 42 -14.694 9.665 1.582 294 HA TYR 42 HA TYR 42 -16.769 7.528 1.954 295 HB2 TYR 42 HB2 TYR 42 -14.832 7.947 -0.341 296 HB3 TYR 42 HB3 TYR 42 -16.020 6.646 -0.208 297 HD1 TYR 42 HD1 TYR 42 -15.458 10.148 -1.127 298 HD2 TYR 42 HD2 TYR 42 -18.490 7.194 -0.336 299 HE1 TYR 42 HE1 TYR 42 -17.161 11.579 -2.261 300 HE2 TYR 42 HE2 TYR 42 -20.185 8.639 -1.463 301 HH TYR 42 HH TYR 42 -19.361 11.823 -2.839 302 H HIS 43 H HIS 43 -15.840 5.316 1.932 303 HA HIS 43 HA HIS 43 -13.443 5.268 3.605 304 HB2 HIS 43 HB2 HIS 43 -14.529 2.774 2.363 305 HB3 HIS 43 HB3 HIS 43 -13.972 3.053 4.012 306 HD1 HIS 43 HD1 HIS 43 -16.993 2.526 2.099 307 HD2 HIS 43 HD2 HIS 43 -15.993 4.740 5.473 308 HE1 HIS 43 HE1 HIS 43 -19.158 3.051 3.284 309 H SER 44 H SER 44 -11.506 5.577 2.623 310 HA SER 44 HA SER 44 -11.090 4.334 -0.067 311 HB2 SER 44 HB2 SER 44 -9.918 6.919 1.026 312 HB3 SER 44 HB3 SER 44 -9.597 6.218 -0.575 313 HG SER 44 HG SER 44 -11.358 7.942 -0.157 314 H ARG 45 H ARG 45 -9.219 3.182 -0.338 315 HA ARG 45 HA ARG 45 -7.121 3.412 1.672 316 HB2 ARG 45 HB2 ARG 45 -7.203 1.281 2.609 317 HB3 ARG 45 HB3 ARG 45 -8.879 1.821 2.665 318 HG2 ARG 45 HG2 ARG 45 -9.386 0.424 0.667 319 HG3 ARG 45 HG3 ARG 45 -7.698 -0.088 0.605 320 HD2 ARG 45 HD2 ARG 45 -9.846 -0.885 2.525 321 HD3 ARG 45 HD3 ARG 45 -8.652 -1.889 1.698 322 HE ARG 45 HE ARG 45 -8.406 -0.571 4.286 323 HH11 ARG 45 HH11 ARG 45 -6.451 -1.943 1.650 324 HH12 ARG 45 HH12 ARG 45 -5.110 -2.239 2.725 325 HH21 ARG 45 HH21 ARG 45 -6.645 -0.981 5.537 326 HH22 ARG 45 HH22 ARG 45 -5.189 -1.676 4.872 327 H ALA 46 H ALA 46 -5.329 1.790 1.198 328 HA ALA 46 HA ALA 46 -4.700 1.707 -1.622 329 HB1 ALA 46 HB1 ALA 46 -3.533 0.343 0.873 330 HB2 ALA 46 HB2 ALA 46 -2.885 0.069 -0.766 331 HB3 ALA 46 HB3 ALA 46 -2.827 1.700 -0.045 332 H LEU 47 H LEU 47 -6.198 0.566 -2.825 333 HA LEU 47 HA LEU 47 -7.657 -1.682 -1.782 334 HB2 LEU 47 HB2 LEU 47 -7.161 -0.460 -4.475 335 HB3 LEU 47 HB3 LEU 47 -7.821 -2.073 -4.404 336 HG LEU 47 HG LEU 47 -9.222 0.301 -4.481 337 HD11 LEU 47 HD11 LEU 47 -11.085 -1.297 -4.490 338 HD12 LEU 47 HD12 LEU 47 -9.679 -1.957 -5.367 339 HD13 LEU 47 HD13 LEU 47 -10.043 -2.523 -3.721 340 HD21 LEU 47 HD21 LEU 47 -9.054 0.641 -2.037 341 HD22 LEU 47 HD22 LEU 47 -10.710 0.266 -2.546 342 HD23 LEU 47 HD23 LEU 47 -9.719 -0.991 -1.772 343 H GLN 48 H GLN 48 -4.874 -1.360 -3.924 344 HA GLN 48 HA GLN 48 -4.186 -4.173 -3.473 345 HB2 GLN 48 HB2 GLN 48 -5.947 -4.069 -5.294 346 HB3 GLN 48 HB3 GLN 48 -4.863 -3.028 -6.219 347 HG2 GLN 48 HG2 GLN 48 -4.738 -5.346 -7.020 348 HG3 GLN 48 HG3 GLN 48 -3.181 -4.816 -6.369 349 HE21 GLN 48 HE21 GLN 48 -5.840 -7.029 -6.036 350 HE22 GLN 48 HE22 GLN 48 -5.142 -7.962 -4.730 351 H VAL 49 H VAL 49 -1.996 -4.342 -3.448 352 HA VAL 49 HA VAL 49 -0.461 -1.944 -4.173 353 HB VAL 49 HB VAL 49 0.121 -4.362 -2.484 354 HG11 VAL 49 HG11 VAL 49 2.551 -3.889 -2.514 355 HG12 VAL 49 HG12 VAL 49 1.983 -4.487 -4.079 356 HG13 VAL 49 HG13 VAL 49 2.311 -2.750 -3.852 357 HG21 VAL 49 HG21 VAL 49 1.132 -2.644 -1.014 358 HG22 VAL 49 HG22 VAL 49 0.943 -1.368 -2.257 359 HG23 VAL 49 HG23 VAL 49 -0.488 -2.124 -1.490 360 H VAL 50 H VAL 50 0.695 -1.698 -5.938 361 HA VAL 50 HA VAL 50 0.617 -3.831 -7.976 362 HB VAL 50 HB VAL 50 1.891 -1.045 -8.110 363 HG11 VAL 50 HG11 VAL 50 1.731 -1.343 -10.557 364 HG12 VAL 50 HG12 VAL 50 2.689 -2.657 -9.846 365 HG13 VAL 50 HG13 VAL 50 1.007 -2.953 -10.331 366 HG21 VAL 50 HG21 VAL 50 -0.470 -0.774 -7.654 367 HG22 VAL 50 HG22 VAL 50 -0.166 -0.401 -9.359 368 HG23 VAL 50 HG23 VAL 50 -0.889 -1.962 -8.911 369 H ARG 51 H ARG 51 2.935 -1.945 -6.001 370 HA ARG 51 HA ARG 51 4.925 -4.137 -6.315 371 HB2 ARG 51 HB2 ARG 51 5.555 -1.205 -6.860 372 HB3 ARG 51 HB3 ARG 51 6.741 -2.494 -6.729 373 HG2 ARG 51 HG2 ARG 51 4.615 -2.311 -8.873 374 HG3 ARG 51 HG3 ARG 51 6.302 -1.827 -9.063 375 HD2 ARG 51 HD2 ARG 51 5.377 -4.635 -8.353 376 HD3 ARG 51 HD3 ARG 51 5.776 -4.101 -9.981 377 HE ARG 51 HE ARG 51 7.669 -4.598 -7.739 378 HH11 ARG 51 HH11 ARG 51 7.273 -3.522 -11.088 379 HH12 ARG 51 HH12 ARG 51 8.974 -3.694 -11.432 380 HH21 ARG 51 HH21 ARG 51 9.800 -4.752 -8.231 381 HH22 ARG 51 HH22 ARG 51 10.380 -4.391 -9.844 382 H ALA 52 H ALA 52 6.272 -4.378 -4.579 383 HA ALA 52 HA ALA 52 6.269 -2.303 -2.448 384 HB1 ALA 52 HB1 ALA 52 4.578 -3.918 -1.713 385 HB2 ALA 52 HB2 ALA 52 5.662 -5.278 -2.099 386 HB3 ALA 52 HB3 ALA 52 6.066 -4.159 -0.779 387 H ARG 53 H ARG 53 8.312 -1.798 -2.203 388 HA ARG 53 HA ARG 53 10.333 -3.930 -2.301 389 HB2 ARG 53 HB2 ARG 53 11.660 -2.810 -4.049 390 HB3 ARG 53 HB3 ARG 53 10.148 -3.464 -4.653 391 HG2 ARG 53 HG2 ARG 53 10.387 -0.607 -3.924 392 HG3 ARG 53 HG3 ARG 53 10.937 -1.214 -5.486 393 HD2 ARG 53 HD2 ARG 53 8.655 -2.263 -5.733 394 HD3 ARG 53 HD3 ARG 53 8.179 -1.335 -4.310 395 HE ARG 53 HE ARG 53 7.854 0.506 -5.607 396 HH11 ARG 53 HH11 ARG 53 9.986 -1.650 -7.445 397 HH12 ARG 53 HH12 ARG 53 9.897 -0.643 -8.868 398 HH21 ARG 53 HH21 ARG 53 7.742 1.667 -7.425 399 HH22 ARG 53 HH22 ARG 53 8.667 1.233 -8.851 400 H LYS 54 H LYS 54 12.474 -3.124 -1.938 401 HA LYS 54 HA LYS 54 12.340 -0.694 -0.251 402 HB2 LYS 54 HB2 LYS 54 13.543 -3.424 0.416 403 HB3 LYS 54 HB3 LYS 54 13.810 -1.967 1.378 404 HG2 LYS 54 HG2 LYS 54 12.069 -2.644 2.586 405 HG3 LYS 54 HG3 LYS 54 11.071 -2.032 1.269 406 HD2 LYS 54 HD2 LYS 54 10.743 -4.263 0.353 407 HD3 LYS 54 HD3 LYS 54 11.982 -4.952 1.421 408 HE2 LYS 54 HE2 LYS 54 9.623 -3.456 2.567 409 HE3 LYS 54 HE3 LYS 54 9.469 -5.142 2.072 410 HZ1 LYS 54 HZ1 LYS 54 11.282 -5.720 3.538 411 HZ2 LYS 54 HZ2 LYS 54 11.454 -4.149 4.015 412 HZ3 LYS 54 HZ3 LYS 54 10.078 -4.980 4.388 413 H GLN 55 H GLN 55 14.053 0.614 -0.367 414 HA GLN 55 HA GLN 55 16.364 -0.152 -2.122 415 HB2 GLN 55 HB2 GLN 55 15.303 1.986 -2.659 416 HB3 GLN 55 HB3 GLN 55 15.279 2.449 -0.957 417 HG2 GLN 55 HG2 GLN 55 17.001 3.729 -1.987 418 HG3 GLN 55 HG3 GLN 55 17.806 2.512 -0.994 419 HE21 GLN 55 HE21 GLN 55 19.515 1.575 -1.948 420 HE22 GLN 55 HE22 GLN 55 19.701 1.373 -3.672 421 H ILE 56 H ILE 56 18.321 -0.552 -1.109 422 HA ILE 56 HA ILE 56 18.535 0.124 1.802 423 HB ILE 56 HB ILE 56 19.481 -2.428 0.375 424 HG12 ILE 56 HG12 ILE 56 18.076 -3.216 2.591 425 HG13 ILE 56 HG13 ILE 56 17.205 -1.738 2.183 426 HG21 ILE 56 HG21 ILE 56 21.194 -1.716 2.013 427 HG22 ILE 56 HG22 ILE 56 19.945 -1.519 3.268 428 HG23 ILE 56 HG23 ILE 56 20.327 -3.135 2.626 429 HD11 ILE 56 HD11 ILE 56 17.671 -4.098 0.317 430 HD12 ILE 56 HD12 ILE 56 16.160 -3.728 1.176 431 HD13 ILE 56 HD13 ILE 56 16.759 -2.629 -0.083 432 H GLY 57 H GLY 57 20.432 1.069 2.386 433 HA2 GLY 57 HA2 GLY 57 22.874 0.994 0.930 434 HA3 GLY 57 HA3 GLY 57 21.960 2.456 0.464 435 H ALA 58 H ALA 58 22.980 4.089 1.616 436 HA ALA 58 HA ALA 58 23.914 3.756 4.333 437 HB1 ALA 58 HB1 ALA 58 24.245 6.204 4.255 438 HB2 ALA 58 HB2 ALA 58 24.872 5.436 2.778 439 HB3 ALA 58 HB3 ALA 58 23.311 6.295 2.743 440 H GLY 59 H GLY 59 20.831 4.011 3.023 441 HA2 GLY 59 HA2 GLY 59 19.616 4.355 5.658 442 HA3 GLY 59 HA3 GLY 59 19.180 5.586 4.435 443 H VAL 60 H VAL 60 17.045 4.028 5.097 444 HA VAL 60 HA VAL 60 16.946 2.010 2.883 445 HB VAL 60 HB VAL 60 15.720 1.801 5.679 446 HG11 VAL 60 HG11 VAL 60 15.480 -0.094 3.296 447 HG12 VAL 60 HG12 VAL 60 14.920 -0.443 4.947 448 HG13 VAL 60 HG13 VAL 60 14.168 0.866 4.019 449 HG21 VAL 60 HG21 VAL 60 17.862 0.119 4.301 450 HG22 VAL 60 HG22 VAL 60 18.122 1.249 5.647 451 HG23 VAL 60 HG23 VAL 60 17.156 -0.215 5.900 452 H ASN 61 H ASN 61 15.121 2.183 1.564 453 HA ASN 61 HA ASN 61 12.988 4.034 2.545 454 HB2 ASN 61 HB2 ASN 61 14.629 5.194 0.979 455 HB3 ASN 61 HB3 ASN 61 14.023 4.132 -0.296 456 HD21 ASN 61 HD21 ASN 61 13.755 7.135 0.906 457 HD22 ASN 61 HD22 ASN 61 12.097 7.489 0.496 458 H TYR 62 H TYR 62 11.070 3.195 2.416 459 HA TYR 62 HA TYR 62 10.681 0.636 0.949 460 HB2 TYR 62 HB2 TYR 62 9.042 2.180 3.004 461 HB3 TYR 62 HB3 TYR 62 8.472 0.715 2.209 462 HD1 TYR 62 HD1 TYR 62 8.730 -1.309 3.330 463 HD2 TYR 62 HD2 TYR 62 11.458 1.902 4.235 464 HE1 TYR 62 HE1 TYR 62 9.801 -2.692 5.106 465 HE2 TYR 62 HE2 TYR 62 12.532 0.484 5.980 466 HH TYR 62 HH TYR 62 12.583 -1.564 7.009 467 H PHE 63 H PHE 63 9.978 0.853 -1.110 468 HA PHE 63 HA PHE 63 8.286 3.227 -1.809 469 HB2 PHE 63 HB2 PHE 63 9.749 1.142 -3.442 470 HB3 PHE 63 HB3 PHE 63 8.634 2.296 -4.152 471 HD1 PHE 63 HD1 PHE 63 11.811 2.086 -2.140 472 HD2 PHE 63 HD2 PHE 63 9.398 4.387 -4.861 473 HE1 PHE 63 HE1 PHE 63 13.675 3.708 -2.420 474 HE2 PHE 63 HE2 PHE 63 11.264 6.006 -5.150 475 HZ PHE 63 HZ PHE 63 13.409 5.671 -3.926 476 H LEU 64 H LEU 64 6.160 2.844 -1.587 477 HA LEU 64 HA LEU 64 5.155 0.072 -2.174 478 HB2 LEU 64 HB2 LEU 64 3.936 2.232 -0.412 479 HB3 LEU 64 HB3 LEU 64 3.214 0.682 -0.776 480 HG LEU 64 HG LEU 64 3.888 0.317 1.328 481 HD11 LEU 64 HD11 LEU 64 5.071 -1.370 -0.108 482 HD12 LEU 64 HD12 LEU 64 6.542 -0.376 0.014 483 HD13 LEU 64 HD13 LEU 64 5.829 -1.096 1.473 484 HD21 LEU 64 HD21 LEU 64 4.867 2.507 1.718 485 HD22 LEU 64 HD22 LEU 64 5.917 1.249 2.395 486 HD23 LEU 64 HD23 LEU 64 6.352 2.034 0.864 487 H ASP 65 H ASP 65 3.995 -0.013 -3.987 488 HA ASP 65 HA ASP 65 2.680 2.539 -4.910 489 HB2 ASP 65 HB2 ASP 65 3.909 0.276 -6.587 490 HB3 ASP 65 HB3 ASP 65 3.042 1.677 -7.234 491 H VAL 66 H VAL 66 0.879 2.546 -5.516 492 HA VAL 66 HA VAL 66 -0.829 0.248 -5.085 493 HB VAL 66 HB VAL 66 -0.023 1.955 -2.968 494 HG11 VAL 66 HG11 VAL 66 -2.204 2.494 -2.042 495 HG12 VAL 66 HG12 VAL 66 -2.071 3.287 -3.609 496 HG13 VAL 66 HG13 VAL 66 -3.040 1.794 -3.456 497 HG21 VAL 66 HG21 VAL 66 -0.996 0.384 -1.722 498 HG22 VAL 66 HG22 VAL 66 -2.105 -0.121 -3.042 499 HG23 VAL 66 HG23 VAL 66 -0.372 -0.362 -3.173 500 H GLU 67 H GLU 67 -2.786 0.158 -5.563 501 HA GLU 67 HA GLU 67 -3.758 2.258 -7.414 502 HB2 GLU 67 HB2 GLU 67 -3.718 -0.248 -7.932 503 HB3 GLU 67 HB3 GLU 67 -5.028 -0.411 -6.754 504 HG2 GLU 67 HG2 GLU 67 -6.361 1.198 -8.072 505 HG3 GLU 67 HG3 GLU 67 -5.036 1.310 -9.244 506 H LEU 68 H LEU 68 -5.397 3.599 -6.902 507 HA LEU 68 HA LEU 68 -6.566 3.386 -4.189 508 HB2 LEU 68 HB2 LEU 68 -6.340 5.519 -6.268 509 HB3 LEU 68 HB3 LEU 68 -7.711 5.586 -5.168 510 HG LEU 68 HG LEU 68 -4.793 5.677 -4.382 511 HD11 LEU 68 HD11 LEU 68 -5.374 8.027 -3.787 512 HD12 LEU 68 HD12 LEU 68 -5.636 7.705 -5.512 513 HD13 LEU 68 HD13 LEU 68 -7.021 7.768 -4.398 514 HD21 LEU 68 HD21 LEU 68 -6.023 4.628 -2.557 515 HD22 LEU 68 HD22 LEU 68 -5.715 6.321 -2.119 516 HD23 LEU 68 HD23 LEU 68 -7.327 5.837 -2.682 517 H GLY 69 H GLY 69 -8.701 3.438 -3.732 518 HA2 GLY 69 HA2 GLY 69 -10.761 3.540 -5.700 519 HA3 GLY 69 HA3 GLY 69 -10.454 1.851 -5.213 520 H ARG 70 H ARG 70 -12.848 2.674 -4.465 521 HA ARG 70 HA ARG 70 -12.541 3.451 -1.594 522 HB2 ARG 70 HB2 ARG 70 -14.824 4.147 -3.492 523 HB3 ARG 70 HB3 ARG 70 -14.715 4.595 -1.780 524 HG2 ARG 70 HG2 ARG 70 -12.693 5.948 -2.274 525 HG3 ARG 70 HG3 ARG 70 -12.803 5.494 -3.977 526 HD2 ARG 70 HD2 ARG 70 -15.087 6.570 -4.032 527 HD3 ARG 70 HD3 ARG 70 -14.747 7.214 -2.409 528 HE ARG 70 HE ARG 70 -13.479 8.004 -4.974 529 HH11 ARG 70 HH11 ARG 70 -13.382 8.304 -1.464 530 HH12 ARG 70 HH12 ARG 70 -12.362 9.711 -1.505 531 HH21 ARG 70 HH21 ARG 70 -12.155 9.778 -4.982 532 HH22 ARG 70 HH22 ARG 70 -11.699 10.539 -3.466 533 H THR 71 H THR 71 -13.901 2.255 -0.164 534 HA THR 71 HA THR 71 -14.836 -0.283 -1.432 535 HB THR 71 HB THR 71 -14.586 -1.291 0.837 536 HG1 THR 71 HG1 THR 71 -14.677 0.253 2.319 537 HG21 THR 71 HG21 THR 71 -12.064 0.163 -0.060 538 HG22 THR 71 HG22 THR 71 -12.156 -1.332 0.898 539 HG23 THR 71 HG23 THR 71 -12.693 -1.334 -0.795 540 H THR 72 H THR 72 -16.832 -1.133 -1.027 541 HA THR 72 HA THR 72 -18.884 0.825 -0.378 542 HB THR 72 HB THR 72 -20.382 -1.282 -0.548 543 HG1 THR 72 HG1 THR 72 -18.101 -2.446 -1.768 544 HG21 THR 72 HG21 THR 72 -20.097 -1.424 -3.006 545 HG22 THR 72 HG22 THR 72 -20.096 0.258 -2.435 546 HG23 THR 72 HG23 THR 72 -18.565 -0.534 -2.879 547 H CYS 73 H CYS 73 -17.127 -1.567 1.451 548 HA CYS 73 HA CYS 73 -18.981 -1.082 3.745 549 HB2 CYS 73 HB2 CYS 73 -17.471 -3.624 3.109 550 HB3 CYS 73 HB3 CYS 73 -18.511 -3.361 4.516 551 H THR 74 H THR 74 -17.870 -1.840 5.833 552 HA THR 74 HA THR 74 -15.151 -0.658 6.020 553 HB THR 74 HB THR 74 -15.809 0.872 7.676 554 HG1 THR 74 HG1 THR 74 -18.003 0.512 8.687 555 HG21 THR 74 HG21 THR 74 -18.475 0.578 6.319 556 HG22 THR 74 HG22 THR 74 -17.775 2.019 7.094 557 HG23 THR 74 HG23 THR 74 -17.071 1.404 5.586 558 H LYS 75 H LYS 75 -14.520 -0.846 8.436 559 HA LYS 75 HA LYS 75 -14.268 -3.541 9.159 560 HB2 LYS 75 HB2 LYS 75 -13.383 -2.581 11.290 561 HB3 LYS 75 HB3 LYS 75 -12.730 -1.765 9.859 562 HG2 LYS 75 HG2 LYS 75 -14.396 0.097 10.152 563 HG3 LYS 75 HG3 LYS 75 -15.033 -0.730 11.586 564 HD2 LYS 75 HD2 LYS 75 -12.796 -0.575 12.665 565 HD3 LYS 75 HD3 LYS 75 -12.207 0.325 11.254 566 HE2 LYS 75 HE2 LYS 75 -12.787 1.911 12.992 567 HE3 LYS 75 HE3 LYS 75 -13.963 2.062 11.671 568 HZ1 LYS 75 HZ1 LYS 75 -14.411 0.573 14.203 569 HZ2 LYS 75 HZ2 LYS 75 -15.041 2.053 13.840 570 HZ3 LYS 75 HZ3 LYS 75 -15.509 0.726 12.980 571 H THR 76 H THR 76 -16.860 -1.385 9.990 572 HA THR 76 HA THR 76 -17.843 -3.273 12.086 573 HB THR 76 HB THR 76 -19.525 -1.295 11.899 574 HG1 THR 76 HG1 THR 76 -18.826 0.478 11.109 575 HG21 THR 76 HG21 THR 76 -18.222 -0.084 13.708 576 HG22 THR 76 HG22 THR 76 -18.351 -1.832 13.994 577 HG23 THR 76 HG23 THR 76 -16.845 -1.154 13.335 578 H GLN 77 H GLN 77 -18.344 -2.142 9.053 579 HA GLN 77 HA GLN 77 -21.166 -2.747 8.730 580 HB2 GLN 77 HB2 GLN 77 -18.950 -1.946 6.920 581 HB3 GLN 77 HB3 GLN 77 -20.357 -2.696 6.187 582 HG2 GLN 77 HG2 GLN 77 -20.462 -0.250 7.985 583 HG3 GLN 77 HG3 GLN 77 -20.411 -0.195 6.214 584 HE21 GLN 77 HE21 GLN 77 -22.212 -0.672 5.008 585 HE22 GLN 77 HE22 GLN 77 -23.783 -0.907 5.736 586 HA PRO 78 HA PRO 78 -20.799 -7.043 8.196 587 HB2 PRO 78 HB2 PRO 78 -22.907 -7.667 6.598 588 HB3 PRO 78 HB3 PRO 78 -23.144 -6.949 8.225 589 HG2 PRO 78 HG2 PRO 78 -23.090 -5.560 5.540 590 HG3 PRO 78 HG3 PRO 78 -24.336 -5.464 6.827 591 HD2 PRO 78 HD2 PRO 78 -22.350 -3.595 6.583 592 HD3 PRO 78 HD3 PRO 78 -22.981 -4.110 8.189 593 H ASN 79 H ASN 79 -20.616 -8.870 6.670 594 HA ASN 79 HA ASN 79 -19.740 -9.972 4.899 595 HB2 ASN 79 HB2 ASN 79 -20.799 -7.647 3.267 596 HB3 ASN 79 HB3 ASN 79 -20.434 -9.272 2.683 597 HD21 ASN 79 HD21 ASN 79 -22.926 -7.479 3.033 598 HD22 ASN 79 HD22 ASN 79 -24.088 -8.592 3.717 599 H LEU 80 H LEU 80 -17.646 -8.718 6.128 600 HA LEU 80 HA LEU 80 -16.060 -7.060 4.443 601 HB2 LEU 80 HB2 LEU 80 -15.491 -8.818 6.797 602 HB3 LEU 80 HB3 LEU 80 -14.143 -8.294 5.798 603 HG LEU 80 HG LEU 80 -14.994 -5.909 6.120 604 HD11 LEU 80 HD11 LEU 80 -17.195 -6.402 7.050 605 HD12 LEU 80 HD12 LEU 80 -16.459 -7.303 8.398 606 HD13 LEU 80 HD13 LEU 80 -16.221 -5.550 8.254 607 HD21 LEU 80 HD21 LEU 80 -13.791 -5.744 8.278 608 HD22 LEU 80 HD22 LEU 80 -13.899 -7.509 8.473 609 HD23 LEU 80 HD23 LEU 80 -12.955 -6.813 7.131 610 H ASP 81 H ASP 81 -16.846 -10.358 3.954 611 HA ASP 81 HA ASP 81 -14.320 -10.971 2.573 612 HB2 ASP 81 HB2 ASP 81 -16.860 -12.536 2.190 613 HB3 ASP 81 HB3 ASP 81 -15.206 -13.123 2.409 614 H ASN 82 H ASN 82 -17.673 -10.160 1.911 615 HA ASN 82 HA ASN 82 -17.358 -10.589 -0.973 616 HB2 ASN 82 HB2 ASN 82 -19.731 -9.754 0.720 617 HB3 ASN 82 HB3 ASN 82 -19.797 -10.018 -1.024 618 HD21 ASN 82 HD21 ASN 82 -20.369 -11.437 1.905 619 HD22 ASN 82 HD22 ASN 82 -20.245 -13.108 1.421 620 H CYS 83 H CYS 83 -17.771 -7.767 1.192 621 HA CYS 83 HA CYS 83 -18.372 -5.988 -0.964 622 HB2 CYS 83 HB2 CYS 83 -16.970 -5.303 1.628 623 HB3 CYS 83 HB3 CYS 83 -17.770 -4.183 0.525 624 HA PRO 84 HA PRO 84 -13.891 -4.912 -1.416 625 HB2 PRO 84 HB2 PRO 84 -11.844 -6.443 -0.451 626 HB3 PRO 84 HB3 PRO 84 -12.579 -5.084 0.461 627 HG2 PRO 84 HG2 PRO 84 -13.139 -8.009 0.662 628 HG3 PRO 84 HG3 PRO 84 -12.818 -6.817 1.968 629 HD2 PRO 84 HD2 PRO 84 -15.315 -7.587 1.311 630 HD3 PRO 84 HD3 PRO 84 -14.940 -5.906 1.820 631 H PHE 85 H PHE 85 -14.705 -8.414 -1.349 632 HA PHE 85 HA PHE 85 -13.134 -9.177 -3.615 633 HB2 PHE 85 HB2 PHE 85 -14.317 -10.798 -2.217 634 HB3 PHE 85 HB3 PHE 85 -15.874 -10.108 -2.688 635 HD1 PHE 85 HD1 PHE 85 -12.906 -11.961 -3.982 636 HD2 PHE 85 HD2 PHE 85 -16.987 -10.782 -4.668 637 HE1 PHE 85 HE1 PHE 85 -13.017 -13.503 -5.936 638 HE2 PHE 85 HE2 PHE 85 -17.114 -12.329 -6.616 639 HZ PHE 85 HZ PHE 85 -15.126 -13.695 -7.256 640 H HIS 86 H HIS 86 -16.296 -7.537 -3.333 641 HA HIS 86 HA HIS 86 -16.662 -7.495 -6.245 642 HB2 HIS 86 HB2 HIS 86 -18.537 -7.635 -4.602 643 HB3 HIS 86 HB3 HIS 86 -18.129 -6.010 -4.038 644 HD1 HIS 86 HD1 HIS 86 -19.598 -7.810 -7.036 645 HD2 HIS 86 HD2 HIS 86 -18.973 -3.936 -5.659 646 HE1 HIS 86 HE1 HIS 86 -20.906 -6.282 -8.561 647 H ASP 87 H ASP 87 -15.429 -5.304 -3.761 648 HA ASP 87 HA ASP 87 -15.741 -2.859 -5.168 649 HB2 ASP 87 HB2 ASP 87 -13.754 -3.687 -3.025 650 HB3 ASP 87 HB3 ASP 87 -13.868 -2.042 -3.660 651 H GLN 88 H GLN 88 -12.869 -5.070 -5.083 652 HA GLN 88 HA GLN 88 -11.226 -3.350 -6.645 653 HB2 GLN 88 HB2 GLN 88 -11.201 -6.280 -6.073 654 HB3 GLN 88 HB3 GLN 88 -10.240 -5.691 -7.438 655 HG2 GLN 88 HG2 GLN 88 -9.158 -4.085 -5.993 656 HG3 GLN 88 HG3 GLN 88 -10.075 -4.692 -4.606 657 HE21 GLN 88 HE21 GLN 88 -8.316 -5.378 -3.418 658 HE22 GLN 88 HE22 GLN 88 -7.299 -6.704 -3.918 659 HA PRO 89 HA PRO 89 -12.533 -5.245 -10.603 660 HB2 PRO 89 HB2 PRO 89 -14.830 -6.725 -10.916 661 HB3 PRO 89 HB3 PRO 89 -13.255 -7.466 -10.477 662 HG2 PRO 89 HG2 PRO 89 -15.495 -6.603 -8.638 663 HG3 PRO 89 HG3 PRO 89 -14.670 -8.191 -8.729 664 HD2 PRO 89 HD2 PRO 89 -13.933 -6.363 -6.937 665 HD3 PRO 89 HD3 PRO 89 -12.708 -7.354 -7.790 666 H HIS 90 H HIS 90 -14.884 -3.931 -8.343 667 HA HIS 90 HA HIS 90 -16.737 -2.905 -10.297 668 HB2 HIS 90 HB2 HIS 90 -17.039 -3.112 -7.747 669 HB3 HIS 90 HB3 HIS 90 -16.133 -1.604 -7.634 670 HD1 HIS 90 HD1 HIS 90 -19.515 -2.923 -8.142 671 HD2 HIS 90 HD2 HIS 90 -17.470 0.574 -9.076 672 HE1 HIS 90 HE1 HIS 90 -21.263 -1.189 -8.702 673 H LEU 91 H LEU 91 -13.567 -1.897 -9.192 674 HA LEU 91 HA LEU 91 -13.765 0.884 -9.784 675 HB2 LEU 91 HB2 LEU 91 -11.347 -0.923 -9.855 676 HB3 LEU 91 HB3 LEU 91 -11.313 0.824 -9.845 677 HG LEU 91 HG LEU 91 -12.061 -1.014 -7.584 678 HD11 LEU 91 HD11 LEU 91 -10.122 0.158 -6.553 679 HD12 LEU 91 HD12 LEU 91 -9.682 -0.720 -8.019 680 HD13 LEU 91 HD13 LEU 91 -9.873 1.050 -8.061 681 HD21 LEU 91 HD21 LEU 91 -12.404 0.988 -6.199 682 HD22 LEU 91 HD22 LEU 91 -12.238 2.025 -7.640 683 HD23 LEU 91 HD23 LEU 91 -13.611 0.897 -7.486 684 H LYS 92 H LYS 92 -14.722 1.266 -11.801 685 HA LYS 92 HA LYS 92 -13.367 0.388 -14.260 686 HB2 LYS 92 HB2 LYS 92 -15.662 2.196 -13.573 687 HB3 LYS 92 HB3 LYS 92 -14.776 2.553 -15.056 688 HG2 LYS 92 HG2 LYS 92 -16.560 1.188 -15.745 689 HG3 LYS 92 HG3 LYS 92 -15.149 0.124 -15.752 690 HD2 LYS 92 HD2 LYS 92 -16.736 0.194 -13.224 691 HD3 LYS 92 HD3 LYS 92 -17.543 -0.514 -14.633 692 HE2 LYS 92 HE2 LYS 92 -15.679 -2.095 -14.946 693 HE3 LYS 92 HE3 LYS 92 -14.816 -1.365 -13.575 694 HZ1 LYS 92 HZ1 LYS 92 -17.376 -2.826 -13.468 695 HZ2 LYS 92 HZ2 LYS 92 -15.934 -3.261 -12.777 696 HZ3 LYS 92 HZ3 LYS 92 -16.764 -1.957 -12.203 697 H ARG 93 H ARG 93 -13.353 3.181 -12.085 698 HA ARG 93 HA ARG 93 -11.318 4.604 -13.685 699 HB2 ARG 93 HB2 ARG 93 -12.587 5.027 -10.946 700 HB3 ARG 93 HB3 ARG 93 -11.148 5.917 -11.447 701 HG2 ARG 93 HG2 ARG 93 -12.390 6.818 -13.391 702 HG3 ARG 93 HG3 ARG 93 -13.865 6.027 -12.781 703 HD2 ARG 93 HD2 ARG 93 -13.736 7.295 -10.705 704 HD3 ARG 93 HD3 ARG 93 -12.163 7.966 -11.170 705 HE ARG 93 HE ARG 93 -14.047 8.664 -13.165 706 HH11 ARG 93 HH11 ARG 93 -13.363 9.431 -9.773 707 HH12 ARG 93 HH12 ARG 93 -14.020 11.045 -9.930 708 HH21 ARG 93 HH21 ARG 93 -14.877 10.728 -13.262 709 HH22 ARG 93 HH22 ARG 93 -14.862 11.755 -11.856 710 H LYS 94 H LYS 94 -9.148 4.345 -13.369 711 HA LYS 94 HA LYS 94 -8.273 2.796 -10.964 712 HB2 LYS 94 HB2 LYS 94 -7.201 2.621 -13.819 713 HB3 LYS 94 HB3 LYS 94 -6.437 1.888 -12.406 714 HG2 LYS 94 HG2 LYS 94 -9.176 1.145 -13.529 715 HG3 LYS 94 HG3 LYS 94 -7.671 0.223 -13.705 716 HD2 LYS 94 HD2 LYS 94 -7.622 0.288 -11.102 717 HD3 LYS 94 HD3 LYS 94 -9.342 0.660 -11.231 718 HE2 LYS 94 HE2 LYS 94 -9.702 -1.401 -12.520 719 HE3 LYS 94 HE3 LYS 94 -7.956 -1.746 -12.466 720 HZ1 LYS 94 HZ1 LYS 94 -9.771 -1.614 -10.134 721 HZ2 LYS 94 HZ2 LYS 94 -9.063 -2.970 -10.745 722 HZ3 LYS 94 HZ3 LYS 94 -8.133 -1.804 -10.029 723 H ALA 95 H ALA 95 -6.654 3.798 -9.883 724 HA ALA 95 HA ALA 95 -5.194 6.023 -11.178 725 HB1 ALA 95 HB1 ALA 95 -5.764 7.541 -9.344 726 HB2 ALA 95 HB2 ALA 95 -7.254 7.005 -10.139 727 HB3 ALA 95 HB3 ALA 95 -6.766 6.294 -8.582 728 H PHE 96 H PHE 96 -3.151 6.273 -10.177 729 HA PHE 96 HA PHE 96 -2.615 4.218 -8.095 730 HB2 PHE 96 HB2 PHE 96 -0.840 4.994 -10.420 731 HB3 PHE 96 HB3 PHE 96 -0.448 3.829 -9.148 732 HD1 PHE 96 HD1 PHE 96 -1.671 1.671 -8.987 733 HD2 PHE 96 HD2 PHE 96 -2.319 4.400 -12.251 734 HE1 PHE 96 HE1 PHE 96 -2.792 -0.144 -10.278 735 HE2 PHE 96 HE2 PHE 96 -3.444 2.592 -13.546 736 HZ PHE 96 HZ PHE 96 -3.690 0.316 -12.552 737 H CYS 97 H CYS 97 -1.405 4.698 -6.444 738 HA CYS 97 HA CYS 97 -0.176 7.410 -6.205 739 HB2 CYS 97 HB2 CYS 97 -1.046 5.420 -4.079 740 HB3 CYS 97 HB3 CYS 97 -0.307 6.992 -3.769 741 H SER 98 H SER 98 1.837 7.568 -5.056 742 HA SER 98 HA SER 98 3.307 4.990 -4.710 743 HB2 SER 98 HB2 SER 98 4.447 7.559 -5.867 744 HB3 SER 98 HB3 SER 98 5.381 6.115 -5.443 745 HG SER 98 HG SER 98 4.323 4.968 -7.028 746 H PHE 99 H PHE 99 4.036 4.782 -2.707 747 HA PHE 99 HA PHE 99 4.284 7.277 -1.053 748 HB2 PHE 99 HB2 PHE 99 3.515 4.476 -0.159 749 HB3 PHE 99 HB3 PHE 99 3.664 5.903 0.875 750 HD1 PHE 99 HD1 PHE 99 2.164 7.976 0.117 751 HD2 PHE 99 HD2 PHE 99 1.395 3.877 -0.938 752 HE1 PHE 99 HE1 PHE 99 -0.211 8.548 -0.345 753 HE2 PHE 99 HE2 PHE 99 -0.995 4.438 -1.371 754 HZ PHE 99 HZ PHE 99 -1.803 6.781 -1.078 755 H GLN 100 H GLN 100 6.204 7.613 -0.180 756 HA GLN 100 HA GLN 100 8.178 5.350 -0.266 757 HB2 GLN 100 HB2 GLN 100 8.671 8.303 -0.728 758 HB3 GLN 100 HB3 GLN 100 9.921 7.077 -0.581 759 HG2 GLN 100 HG2 GLN 100 9.043 5.951 -2.596 760 HG3 GLN 100 HG3 GLN 100 7.817 7.216 -2.760 761 HE21 GLN 100 HE21 GLN 100 11.307 7.294 -1.978 762 HE22 GLN 100 HE22 GLN 100 11.725 8.424 -3.246 763 H ILE 101 H ILE 101 8.347 4.693 1.794 764 HA ILE 101 HA ILE 101 8.445 6.822 3.896 765 HB ILE 101 HB ILE 101 8.230 3.800 4.223 766 HG12 ILE 101 HG12 ILE 101 6.106 5.917 4.714 767 HG13 ILE 101 HG13 ILE 101 6.209 4.995 3.212 768 HG21 ILE 101 HG21 ILE 101 8.106 6.108 6.232 769 HG22 ILE 101 HG22 ILE 101 7.730 4.414 6.616 770 HG23 ILE 101 HG23 ILE 101 9.370 4.858 6.121 771 HD11 ILE 101 HD11 ILE 101 4.522 4.020 4.649 772 HD12 ILE 101 HD12 ILE 101 5.885 2.895 4.494 773 HD13 ILE 101 HD13 ILE 101 5.684 3.852 5.980 774 H TYR 102 H TYR 102 10.414 7.510 4.474 775 HA TYR 102 HA TYR 102 12.734 5.802 3.782 776 HB2 TYR 102 HB2 TYR 102 12.935 8.172 3.244 777 HB3 TYR 102 HB3 TYR 102 12.498 8.617 4.900 778 HD1 TYR 102 HD1 TYR 102 14.166 8.834 6.576 779 HD2 TYR 102 HD2 TYR 102 15.113 6.776 2.917 780 HE1 TYR 102 HE1 TYR 102 16.559 8.719 7.249 781 HE2 TYR 102 HE2 TYR 102 17.503 6.661 3.607 782 HH TYR 102 HH TYR 102 18.664 8.069 6.679 783 H ALA 103 H ALA 103 13.509 4.432 5.279 784 HA ALA 103 HA ALA 103 12.685 4.835 8.076 785 HB1 ALA 103 HB1 ALA 103 13.337 2.561 8.408 786 HB2 ALA 103 HB2 ALA 103 12.143 2.682 7.086 787 HB3 ALA 103 HB3 ALA 103 13.880 2.446 6.715 788 H VAL 104 H VAL 104 14.158 5.226 9.575 789 HA VAL 104 HA VAL 104 16.812 6.048 8.461 790 HB VAL 104 HB VAL 104 16.059 6.466 11.334 791 HG11 VAL 104 HG11 VAL 104 17.980 7.420 10.319 792 HG12 VAL 104 HG12 VAL 104 16.872 8.416 9.331 793 HG13 VAL 104 HG13 VAL 104 16.865 8.574 11.095 794 HG21 VAL 104 HG21 VAL 104 13.952 6.635 10.569 795 HG22 VAL 104 HG22 VAL 104 14.499 8.289 10.852 796 HG23 VAL 104 HG23 VAL 104 14.395 7.666 9.183 797 HA PRO 105 HA PRO 105 16.625 2.250 10.336 798 HB2 PRO 105 HB2 PRO 105 18.918 0.819 9.648 799 HB3 PRO 105 HB3 PRO 105 17.593 1.140 8.478 800 HG2 PRO 105 HG2 PRO 105 20.147 2.703 8.902 801 HG3 PRO 105 HG3 PRO 105 19.475 2.054 7.372 802 HD2 PRO 105 HD2 PRO 105 19.068 4.634 8.136 803 HD3 PRO 105 HD3 PRO 105 17.801 3.692 7.279 804 H TRP 106 H TRP 106 19.273 4.337 10.744 805 HA TRP 106 HA TRP 106 20.798 3.067 12.748 806 HB2 TRP 106 HB2 TRP 106 20.382 6.031 12.238 807 HB3 TRP 106 HB3 TRP 106 21.809 5.256 12.971 808 HD1 TRP 106 HD1 TRP 106 20.637 6.506 9.702 809 HE1 TRP 106 HE1 TRP 106 21.970 5.605 7.718 810 HE3 TRP 106 HE3 TRP 106 23.090 2.741 12.157 811 HZ2 TRP 106 HZ2 TRP 106 23.838 3.519 7.252 812 HZ3 TRP 106 HZ3 TRP 106 24.663 1.290 10.853 813 HH2 TRP 106 HH2 TRP 106 25.024 1.688 8.415 814 H GLN 107 H GLN 107 17.709 4.598 12.979 815 HA GLN 107 HA GLN 107 17.981 4.617 15.964 816 HB2 GLN 107 HB2 GLN 107 16.382 6.398 14.124 817 HB3 GLN 107 HB3 GLN 107 16.203 6.392 15.879 818 HG2 GLN 107 HG2 GLN 107 18.472 7.188 16.154 819 HG3 GLN 107 HG3 GLN 107 18.779 7.041 14.416 820 HE21 GLN 107 HE21 GLN 107 18.062 9.203 16.798 821 HE22 GLN 107 HE22 GLN 107 17.310 10.443 15.826 822 H GLY 108 H GLY 108 16.647 2.978 13.367 823 HA2 GLY 108 HA2 GLY 108 15.010 1.351 13.309 824 HA3 GLY 108 HA3 GLY 108 14.775 1.568 15.053 825 H THR 109 H THR 109 14.596 4.414 13.173 826 HA THR 109 HA THR 109 11.653 4.576 13.639 827 HB THR 109 HB THR 109 12.239 7.052 13.021 828 HG1 THR 109 HG1 THR 109 14.429 7.536 13.513 829 HG21 THR 109 HG21 THR 109 11.651 6.311 15.326 830 HG22 THR 109 HG22 THR 109 13.347 5.832 15.592 831 HG23 THR 109 HG23 THR 109 12.930 7.544 15.344 832 H MET 110 H MET 110 10.449 5.813 11.906 833 HA MET 110 HA MET 110 11.914 6.010 9.361 834 HB2 MET 110 HB2 MET 110 10.255 4.712 8.094 835 HB3 MET 110 HB3 MET 110 10.870 3.692 9.389 836 HG2 MET 110 HG2 MET 110 8.808 4.172 10.707 837 HG3 MET 110 HG3 MET 110 8.182 5.094 9.325 838 HE1 MET 110 HE1 MET 110 6.066 3.774 8.754 839 HE2 MET 110 HE2 MET 110 5.942 2.001 8.792 840 HE3 MET 110 HE3 MET 110 6.290 2.901 10.288 841 H THR 111 H THR 111 10.683 7.350 7.782 842 HA THR 111 HA THR 111 8.374 8.892 8.867 843 HB THR 111 HB THR 111 10.938 10.085 7.719 844 HG1 THR 111 HG1 THR 111 9.948 9.765 10.338 845 HG21 THR 111 HG21 THR 111 9.918 12.245 8.459 846 HG22 THR 111 HG22 THR 111 9.077 11.456 7.106 847 HG23 THR 111 HG23 THR 111 8.398 11.370 8.755 848 H LEU 112 H LEU 112 6.918 9.479 7.176 849 HA LEU 112 HA LEU 112 7.327 8.406 4.572 850 HB2 LEU 112 HB2 LEU 112 5.137 8.970 5.701 851 HB3 LEU 112 HB3 LEU 112 5.483 10.667 5.402 852 HG LEU 112 HG LEU 112 5.498 10.151 2.919 853 HD11 LEU 112 HD11 LEU 112 4.499 7.480 3.966 854 HD12 LEU 112 HD12 LEU 112 4.401 8.006 2.264 855 HD13 LEU 112 HD13 LEU 112 5.983 7.770 3.029 856 HD21 LEU 112 HD21 LEU 112 3.534 11.099 4.047 857 HD22 LEU 112 HD22 LEU 112 3.042 9.947 2.793 858 HD23 LEU 112 HD23 LEU 112 2.985 9.468 4.494 859 H SER 113 H SER 113 8.693 9.088 3.114 860 HA SER 113 HA SER 113 9.813 11.814 3.203 861 HB2 SER 113 HB2 SER 113 11.273 9.852 2.872 862 HB3 SER 113 HB3 SER 113 10.374 9.423 1.405 863 HG SER 113 HG SER 113 11.064 11.940 1.122 864 H LYS 114 H LYS 114 7.622 9.839 1.213 865 HA LYS 114 HA LYS 114 6.756 12.294 -0.198 866 HB2 LYS 114 HB2 LYS 114 8.613 11.414 -1.600 867 HB3 LYS 114 HB3 LYS 114 7.755 9.875 -1.737 868 HG2 LYS 114 HG2 LYS 114 5.892 10.943 -2.900 869 HG3 LYS 114 HG3 LYS 114 6.653 12.537 -2.671 870 HD2 LYS 114 HD2 LYS 114 8.600 11.721 -4.002 871 HD3 LYS 114 HD3 LYS 114 7.679 10.231 -4.320 872 HE2 LYS 114 HE2 LYS 114 5.835 11.613 -5.226 873 HE3 LYS 114 HE3 LYS 114 6.838 13.058 -5.000 874 HZ1 LYS 114 HZ1 LYS 114 8.443 12.102 -6.538 875 HZ2 LYS 114 HZ2 LYS 114 7.531 10.741 -6.722 876 HZ3 LYS 114 HZ3 LYS 114 6.966 12.193 -7.268 877 H SER 115 H SER 115 4.663 12.250 -0.716 878 HA SER 115 HA SER 115 3.296 9.632 -1.042 879 HB2 SER 115 HB2 SER 115 1.314 11.273 -0.108 880 HB3 SER 115 HB3 SER 115 2.197 10.123 0.917 881 HG SER 115 HG SER 115 2.204 12.234 1.808 882 H THR 116 H THR 116 2.483 9.635 -3.080 883 HA THR 116 HA THR 116 1.449 12.219 -4.117 884 HB THR 116 HB THR 116 3.799 11.936 -4.998 885 HG1 THR 116 HG1 THR 116 1.846 11.650 -7.045 886 HG21 THR 116 HG21 THR 116 2.616 9.540 -6.445 887 HG22 THR 116 HG22 THR 116 4.201 10.274 -6.759 888 HG23 THR 116 HG23 THR 116 3.880 9.501 -5.192 889 H CYS 117 H CYS 117 -0.251 11.872 -5.681 890 HA CYS 117 HA CYS 117 -1.165 9.080 -5.982 891 HB2 CYS 117 HB2 CYS 117 -2.436 11.193 -4.285 892 HB3 CYS 117 HB3 CYS 117 -3.483 10.085 -5.171 893 H GLN 118 H GLN 118 -3.346 9.067 -7.081 894 HA GLN 118 HA GLN 118 -3.639 11.256 -9.091 895 HB2 GLN 118 HB2 GLN 118 -3.589 8.237 -9.485 896 HB3 GLN 118 HB3 GLN 118 -4.295 9.348 -10.679 897 HG2 GLN 118 HG2 GLN 118 -1.405 9.472 -9.735 898 HG3 GLN 118 HG3 GLN 118 -1.939 8.597 -11.174 899 HE21 GLN 118 HE21 GLN 118 -1.415 11.755 -9.736 900 HE22 GLN 118 HE22 GLN 118 -1.539 12.649 -11.238 901 H ASP 119 H ASP 119 -5.897 11.523 -9.692 902 HA ASP 119 HA ASP 119 -7.624 11.096 -7.422 903 HB2 ASP 119 HB2 ASP 119 -8.120 12.267 -10.178 904 HB3 ASP 119 HB3 ASP 119 -9.266 12.341 -8.829 905 H ALA 120 H ALA 120 -9.527 9.997 -7.233 906 HA ALA 120 HA ALA 120 -10.422 8.222 -9.426 907 HB1 ALA 120 HB1 ALA 120 -10.522 6.272 -7.889 908 HB2 ALA 120 HB2 ALA 120 -8.851 6.840 -8.084 909 HB3 ALA 120 HB3 ALA 120 -9.754 7.238 -6.608 Start of MODEL 5 1 H1 SER 1 H1 SER 1 -1.006 -17.348 3.986 2 H2 SER 1 H2 SER 1 -0.407 -17.618 2.509 3 H3 SER 1 H3 SER 1 0.084 -16.333 3.358 4 HA SER 1 HA SER 1 0.601 -19.145 4.056 5 HB2 SER 1 HB2 SER 1 2.673 -17.054 3.340 6 HB3 SER 1 HB3 SER 1 2.829 -18.827 3.340 7 HG SER 1 HG SER 1 1.774 -17.093 1.442 8 H SER 2 H SER 2 3.223 -17.818 5.205 9 HA SER 2 HA SER 2 2.095 -16.282 7.440 10 HB2 SER 2 HB2 SER 2 1.932 -18.606 8.253 11 HB3 SER 2 HB3 SER 2 3.644 -18.870 7.859 12 HG SER 2 HG SER 2 4.205 -17.330 9.410 13 HA PRO 3 HA PRO 3 6.186 -14.621 6.543 14 HB2 PRO 3 HB2 PRO 3 6.166 -12.478 8.191 15 HB3 PRO 3 HB3 PRO 3 5.118 -12.544 6.748 16 HG2 PRO 3 HG2 PRO 3 4.458 -13.189 9.604 17 HG3 PRO 3 HG3 PRO 3 3.603 -12.094 8.470 18 HD2 PRO 3 HD2 PRO 3 2.818 -14.667 8.900 19 HD3 PRO 3 HD3 PRO 3 2.647 -13.867 7.297 20 H GLY 4 H GLY 4 7.986 -13.619 8.310 21 HA2 GLY 4 HA2 GLY 4 8.577 -14.118 10.740 22 HA3 GLY 4 HA3 GLY 4 8.261 -15.813 10.335 23 H LYS 5 H LYS 5 9.387 -15.075 7.545 24 HA LYS 5 HA LYS 5 12.285 -14.867 8.209 25 HB2 LYS 5 HB2 LYS 5 10.987 -17.101 6.612 26 HB3 LYS 5 HB3 LYS 5 12.719 -16.736 6.569 27 HG2 LYS 5 HG2 LYS 5 12.867 -17.141 9.007 28 HG3 LYS 5 HG3 LYS 5 11.154 -17.573 9.041 29 HD2 LYS 5 HD2 LYS 5 13.238 -19.007 7.345 30 HD3 LYS 5 HD3 LYS 5 12.758 -19.528 8.969 31 HE2 LYS 5 HE2 LYS 5 10.896 -19.298 6.563 32 HE3 LYS 5 HE3 LYS 5 11.572 -20.802 7.210 33 HZ1 LYS 5 HZ1 LYS 5 10.386 -20.381 9.281 34 HZ2 LYS 5 HZ2 LYS 5 9.761 -18.976 8.688 35 HZ3 LYS 5 HZ3 LYS 5 9.325 -20.418 8.017 36 HA PRO 6 HA PRO 6 10.891 -12.468 4.552 37 HB2 PRO 6 HB2 PRO 6 12.103 -10.089 5.089 38 HB3 PRO 6 HB3 PRO 6 10.579 -10.572 5.902 39 HG2 PRO 6 HG2 PRO 6 13.405 -10.822 6.890 40 HG3 PRO 6 HG3 PRO 6 11.981 -10.107 7.712 41 HD2 PRO 6 HD2 PRO 6 12.793 -12.651 8.187 42 HD3 PRO 6 HD3 PRO 6 11.058 -12.199 8.176 43 HA PRO 7 HA PRO 7 14.698 -13.133 2.382 44 HB2 PRO 7 HB2 PRO 7 14.572 -11.400 0.266 45 HB3 PRO 7 HB3 PRO 7 13.503 -12.835 0.391 46 HG2 PRO 7 HG2 PRO 7 12.925 -9.986 1.165 47 HG3 PRO 7 HG3 PRO 7 11.965 -11.086 0.126 48 HD2 PRO 7 HD2 PRO 7 11.369 -10.741 2.726 49 HD3 PRO 7 HD3 PRO 7 11.237 -12.360 1.957 50 H ARG 8 H ARG 8 16.781 -12.036 1.746 51 HA ARG 8 HA ARG 8 17.118 -9.386 3.057 52 HB2 ARG 8 HB2 ARG 8 17.759 -11.192 4.659 53 HB3 ARG 8 HB3 ARG 8 18.941 -11.777 3.488 54 HG2 ARG 8 HG2 ARG 8 20.107 -10.487 5.138 55 HG3 ARG 8 HG3 ARG 8 20.133 -9.591 3.616 56 HD2 ARG 8 HD2 ARG 8 19.701 -8.087 5.486 57 HD3 ARG 8 HD3 ARG 8 18.287 -8.157 4.418 58 HE ARG 8 HE ARG 8 17.872 -10.116 6.375 59 HH11 ARG 8 HH11 ARG 8 18.242 -6.607 6.370 60 HH12 ARG 8 HH12 ARG 8 17.258 -6.408 7.795 61 HH21 ARG 8 HH21 ARG 8 16.615 -9.789 8.170 62 HH22 ARG 8 HH22 ARG 8 16.356 -8.187 8.799 63 H LEU 9 H LEU 9 17.766 -8.080 1.527 64 HA LEU 9 HA LEU 9 20.224 -8.860 0.012 65 HB2 LEU 9 HB2 LEU 9 17.787 -7.272 -0.855 66 HB3 LEU 9 HB3 LEU 9 19.363 -6.841 -1.472 67 HG LEU 9 HG LEU 9 18.125 -8.120 -3.097 68 HD11 LEU 9 HD11 LEU 9 20.439 -9.769 -2.009 69 HD12 LEU 9 HD12 LEU 9 19.831 -9.741 -3.678 70 HD13 LEU 9 HD13 LEU 9 20.602 -8.295 -2.998 71 HD21 LEU 9 HD21 LEU 9 17.510 -10.428 -2.850 72 HD22 LEU 9 HD22 LEU 9 18.221 -10.508 -1.225 73 HD23 LEU 9 HD23 LEU 9 16.772 -9.518 -1.519 74 H VAL 10 H VAL 10 21.669 -7.145 -0.203 75 HA VAL 10 HA VAL 10 21.324 -5.079 1.895 76 HB VAL 10 HB VAL 10 23.949 -6.565 1.749 77 HG11 VAL 10 HG11 VAL 10 23.953 -6.056 4.119 78 HG12 VAL 10 HG12 VAL 10 23.619 -4.605 3.148 79 HG13 VAL 10 HG13 VAL 10 22.286 -5.447 3.984 80 HG21 VAL 10 HG21 VAL 10 23.177 -8.245 3.487 81 HG22 VAL 10 HG22 VAL 10 21.498 -7.744 3.189 82 HG23 VAL 10 HG23 VAL 10 22.448 -8.522 1.900 83 H GLY 11 H GLY 11 22.273 -3.153 1.232 84 HA2 GLY 11 HA2 GLY 11 23.744 -1.790 0.046 85 HA3 GLY 11 HA3 GLY 11 24.377 -3.205 -0.805 86 H GLY 12 H GLY 12 21.127 -3.559 -1.129 87 HA2 GLY 12 HA2 GLY 12 20.712 -1.580 -3.239 88 HA3 GLY 12 HA3 GLY 12 20.930 -3.243 -3.813 89 HA PRO 13 HA PRO 13 16.549 -2.597 -2.345 90 HB2 PRO 13 HB2 PRO 13 15.153 -2.228 -4.618 91 HB3 PRO 13 HB3 PRO 13 16.088 -0.884 -3.880 92 HG2 PRO 13 HG2 PRO 13 16.870 -2.730 -6.131 93 HG3 PRO 13 HG3 PRO 13 16.951 -0.941 -6.065 94 HD2 PRO 13 HD2 PRO 13 19.100 -2.580 -5.533 95 HD3 PRO 13 HD3 PRO 13 18.885 -0.963 -4.774 96 H MET 14 H MET 14 14.743 -3.989 -2.444 97 HA MET 14 HA MET 14 14.798 -6.255 -4.336 98 HB2 MET 14 HB2 MET 14 14.673 -7.951 -2.619 99 HB3 MET 14 HB3 MET 14 16.123 -6.990 -2.317 100 HG2 MET 14 HG2 MET 14 14.865 -5.700 -0.589 101 HG3 MET 14 HG3 MET 14 13.473 -6.756 -0.854 102 HE1 MET 14 HE1 MET 14 13.209 -7.614 1.622 103 HE2 MET 14 HE2 MET 14 14.625 -7.917 2.652 104 HE3 MET 14 HE3 MET 14 14.375 -6.307 1.946 105 H ASP 15 H ASP 15 12.681 -7.111 -4.625 106 HA ASP 15 HA ASP 15 10.500 -5.517 -3.403 107 HB2 ASP 15 HB2 ASP 15 10.675 -7.552 -5.630 108 HB3 ASP 15 HB3 ASP 15 9.140 -7.342 -4.778 109 H ALA 16 H ALA 16 9.141 -6.450 -1.832 110 HA ALA 16 HA ALA 16 9.831 -9.250 -0.904 111 HB1 ALA 16 HB1 ALA 16 9.071 -6.868 0.778 112 HB2 ALA 16 HB2 ALA 16 9.218 -8.534 1.362 113 HB3 ALA 16 HB3 ALA 16 10.651 -7.681 0.741 114 H SER 17 H SER 17 8.006 -10.349 0.065 115 HA SER 17 HA SER 17 5.679 -10.063 -1.659 116 HB2 SER 17 HB2 SER 17 5.697 -11.748 0.839 117 HB3 SER 17 HB3 SER 17 4.965 -12.093 -0.741 118 HG SER 17 HG SER 17 7.610 -12.371 0.150 119 H VAL 18 H VAL 18 3.454 -9.722 -0.894 120 HA VAL 18 HA VAL 18 3.288 -7.444 0.822 121 HB VAL 18 HB VAL 18 0.872 -7.594 0.530 122 HG11 VAL 18 HG11 VAL 18 0.746 -7.568 -1.882 123 HG12 VAL 18 HG12 VAL 18 2.321 -6.900 -1.402 124 HG13 VAL 18 HG13 VAL 18 2.209 -8.565 -2.021 125 HG21 VAL 18 HG21 VAL 18 1.357 -10.416 -0.565 126 HG22 VAL 18 HG22 VAL 18 0.502 -9.999 0.940 127 HG23 VAL 18 HG23 VAL 18 -0.188 -9.542 -0.627 128 H GLU 19 H GLU 19 3.358 -10.780 1.485 129 HA GLU 19 HA GLU 19 1.964 -10.658 4.029 130 HB2 GLU 19 HB2 GLU 19 3.649 -12.678 2.551 131 HB3 GLU 19 HB3 GLU 19 3.116 -12.951 4.225 132 HG2 GLU 19 HG2 GLU 19 0.744 -12.457 3.347 133 HG3 GLU 19 HG3 GLU 19 1.433 -12.678 1.729 134 H GLU 20 H GLU 20 5.252 -10.074 2.888 135 HA GLU 20 HA GLU 20 6.545 -10.638 5.281 136 HB2 GLU 20 HB2 GLU 20 7.306 -8.982 2.978 137 HB3 GLU 20 HB3 GLU 20 8.136 -8.648 4.500 138 HG2 GLU 20 HG2 GLU 20 9.395 -10.198 3.578 139 HG3 GLU 20 HG3 GLU 20 8.346 -11.054 4.755 140 H GLU 21 H GLU 21 7.481 -9.839 6.828 141 HA GLU 21 HA GLU 21 5.916 -8.183 8.236 142 HB2 GLU 21 HB2 GLU 21 8.852 -8.625 8.717 143 HB3 GLU 21 HB3 GLU 21 7.708 -8.022 9.919 144 HG2 GLU 21 HG2 GLU 21 7.641 -10.172 10.558 145 HG3 GLU 21 HG3 GLU 21 6.471 -10.329 9.239 146 H GLY 22 H GLY 22 8.740 -7.442 6.359 147 HA2 GLY 22 HA2 GLY 22 8.930 -4.678 7.161 148 HA3 GLY 22 HA3 GLY 22 9.723 -5.430 5.767 149 H VAL 23 H VAL 23 6.889 -6.370 4.841 150 HA VAL 23 HA VAL 23 6.295 -3.851 3.424 151 HB VAL 23 HB VAL 23 5.175 -6.665 3.106 152 HG11 VAL 23 HG11 VAL 23 3.464 -5.237 2.382 153 HG12 VAL 23 HG12 VAL 23 4.599 -4.081 1.641 154 HG13 VAL 23 HG13 VAL 23 4.330 -5.679 0.910 155 HG21 VAL 23 HG21 VAL 23 7.112 -5.013 1.451 156 HG22 VAL 23 HG22 VAL 23 7.498 -6.477 2.397 157 HG23 VAL 23 HG23 VAL 23 6.455 -6.587 0.973 158 H ARG 24 H ARG 24 4.603 -6.240 5.533 159 HA ARG 24 HA ARG 24 2.076 -5.034 5.492 160 HB2 ARG 24 HB2 ARG 24 3.468 -6.457 7.783 161 HB3 ARG 24 HB3 ARG 24 1.747 -6.056 7.736 162 HG2 ARG 24 HG2 ARG 24 1.562 -7.430 5.617 163 HG3 ARG 24 HG3 ARG 24 3.233 -7.958 5.883 164 HD2 ARG 24 HD2 ARG 24 1.767 -9.638 6.739 165 HD3 ARG 24 HD3 ARG 24 2.569 -8.841 8.105 166 HE ARG 24 HE ARG 24 0.126 -7.498 7.658 167 HH11 ARG 24 HH11 ARG 24 1.155 -10.715 8.673 168 HH12 ARG 24 HH12 ARG 24 -0.275 -10.973 9.637 169 HH21 ARG 24 HH21 ARG 24 -1.666 -7.883 8.908 170 HH22 ARG 24 HH22 ARG 24 -1.856 -9.397 9.750 171 H ARG 25 H ARG 25 4.822 -4.197 7.639 172 HA ARG 25 HA ARG 25 3.298 -2.281 9.134 173 HB2 ARG 25 HB2 ARG 25 5.413 -1.416 9.898 174 HB3 ARG 25 HB3 ARG 25 5.457 -3.179 9.890 175 HG2 ARG 25 HG2 ARG 25 7.510 -2.857 8.964 176 HG3 ARG 25 HG3 ARG 25 6.583 -2.705 7.466 177 HD2 ARG 25 HD2 ARG 25 7.606 -0.708 7.219 178 HD3 ARG 25 HD3 ARG 25 6.505 -0.112 8.466 179 HE ARG 25 HE ARG 25 9.373 -0.729 8.736 180 HH11 ARG 25 HH11 ARG 25 6.408 0.110 10.482 181 HH12 ARG 25 HH12 ARG 25 7.289 0.642 11.888 182 HH21 ARG 25 HH21 ARG 25 10.408 -0.019 10.562 183 HH22 ARG 25 HH22 ARG 25 9.504 0.569 11.930 184 H ALA 26 H ALA 26 4.768 -2.024 5.987 185 HA ALA 26 HA ALA 26 4.693 0.878 5.950 186 HB1 ALA 26 HB1 ALA 26 6.533 -0.302 4.800 187 HB2 ALA 26 HB2 ALA 26 5.353 -1.180 3.795 188 HB3 ALA 26 HB3 ALA 26 5.518 0.579 3.633 189 H LEU 27 H LEU 27 2.893 -1.975 4.820 190 HA LEU 27 HA LEU 27 1.161 -0.712 2.992 191 HB2 LEU 27 HB2 LEU 27 0.464 -2.920 4.991 192 HB3 LEU 27 HB3 LEU 27 -0.501 -2.448 3.615 193 HG LEU 27 HG LEU 27 2.085 -3.986 3.624 194 HD11 LEU 27 HD11 LEU 27 -0.044 -5.202 4.037 195 HD12 LEU 27 HD12 LEU 27 -0.672 -4.587 2.491 196 HD13 LEU 27 HD13 LEU 27 0.734 -5.679 2.514 197 HD21 LEU 27 HD21 LEU 27 0.640 -2.646 1.364 198 HD22 LEU 27 HD22 LEU 27 2.330 -2.434 1.902 199 HD23 LEU 27 HD23 LEU 27 1.817 -3.964 1.156 200 H ASP 28 H ASP 28 0.583 -1.471 6.443 201 HA ASP 28 HA ASP 28 -1.930 -0.033 6.423 202 HB2 ASP 28 HB2 ASP 28 -0.095 -1.114 8.639 203 HB3 ASP 28 HB3 ASP 28 -1.680 -0.378 8.960 204 H PHE 29 H PHE 29 1.425 0.775 7.270 205 HA PHE 29 HA PHE 29 0.791 3.214 8.649 206 HB2 PHE 29 HB2 PHE 29 2.989 2.141 8.783 207 HB3 PHE 29 HB3 PHE 29 3.234 2.384 7.051 208 HD1 PHE 29 HD1 PHE 29 3.148 4.013 10.368 209 HD2 PHE 29 HD2 PHE 29 3.755 4.621 6.155 210 HE1 PHE 29 HE1 PHE 29 4.183 6.233 10.835 211 HE2 PHE 29 HE2 PHE 29 4.790 6.829 6.614 212 HZ PHE 29 HZ PHE 29 5.007 7.641 8.955 213 H ALA 30 H ALA 30 1.624 2.443 5.199 214 HA ALA 30 HA ALA 30 1.541 5.164 4.351 215 HB1 ALA 30 HB1 ALA 30 2.340 3.343 2.921 216 HB2 ALA 30 HB2 ALA 30 0.682 2.690 2.800 217 HB3 ALA 30 HB3 ALA 30 1.072 4.278 2.094 218 H VAL 31 H VAL 31 -1.230 2.875 4.394 219 HA VAL 31 HA VAL 31 -3.134 4.673 3.159 220 HB VAL 31 HB VAL 31 -4.132 2.771 5.191 221 HG11 VAL 31 HG11 VAL 31 -4.746 2.969 2.329 222 HG12 VAL 31 HG12 VAL 31 -5.531 1.906 3.531 223 HG13 VAL 31 HG13 VAL 31 -5.639 3.674 3.702 224 HG21 VAL 31 HG21 VAL 31 -2.381 1.737 3.138 225 HG22 VAL 31 HG22 VAL 31 -2.286 1.720 4.939 226 HG23 VAL 31 HG23 VAL 31 -3.554 0.785 4.096 227 H GLY 32 H GLY 32 -2.176 3.651 6.430 228 HA2 GLY 32 HA2 GLY 32 -4.308 4.908 7.793 229 HA3 GLY 32 HA3 GLY 32 -2.745 4.458 8.496 230 H GLU 33 H GLU 33 -1.158 5.962 6.641 231 HA GLU 33 HA GLU 33 -1.494 8.527 8.176 232 HB2 GLU 33 HB2 GLU 33 0.661 7.381 8.063 233 HB3 GLU 33 HB3 GLU 33 0.734 7.656 6.320 234 HG2 GLU 33 HG2 GLU 33 1.137 9.908 6.561 235 HG3 GLU 33 HG3 GLU 33 0.357 9.984 8.150 236 H TYR 34 H TYR 34 -1.970 7.295 5.017 237 HA TYR 34 HA TYR 34 -2.040 9.976 3.962 238 HB2 TYR 34 HB2 TYR 34 -0.980 8.283 2.587 239 HB3 TYR 34 HB3 TYR 34 -2.516 7.411 2.457 240 HD1 TYR 34 HD1 TYR 34 -1.158 10.907 1.946 241 HD2 TYR 34 HD2 TYR 34 -3.805 7.825 0.543 242 HE1 TYR 34 HE1 TYR 34 -1.827 12.350 0.027 243 HE2 TYR 34 HE2 TYR 34 -4.485 9.283 -1.363 244 HH TYR 34 HH TYR 34 -3.195 12.581 -1.788 245 H ASN 35 H ASN 35 -4.190 7.262 3.919 246 HA ASN 35 HA ASN 35 -6.449 8.850 2.986 247 HB2 ASN 35 HB2 ASN 35 -5.984 5.911 3.646 248 HB3 ASN 35 HB3 ASN 35 -7.538 6.547 3.059 249 HD21 ASN 35 HD21 ASN 35 -6.949 8.233 1.092 250 HD22 ASN 35 HD22 ASN 35 -6.034 7.439 -0.164 251 H LYS 36 H LYS 36 -5.758 6.780 5.817 252 HA LYS 36 HA LYS 36 -8.280 7.432 7.108 253 HB2 LYS 36 HB2 LYS 36 -7.190 5.372 7.647 254 HB3 LYS 36 HB3 LYS 36 -5.692 6.212 7.998 255 HG2 LYS 36 HG2 LYS 36 -8.021 6.943 9.703 256 HG3 LYS 36 HG3 LYS 36 -7.323 5.329 9.938 257 HD2 LYS 36 HD2 LYS 36 -5.434 6.140 10.890 258 HD3 LYS 36 HD3 LYS 36 -5.264 7.384 9.652 259 HE2 LYS 36 HE2 LYS 36 -5.513 8.278 11.993 260 HE3 LYS 36 HE3 LYS 36 -6.640 8.931 10.800 261 HZ1 LYS 36 HZ1 LYS 36 -7.306 6.830 12.759 262 HZ2 LYS 36 HZ2 LYS 36 -7.734 8.420 12.865 263 HZ3 LYS 36 HZ3 LYS 36 -8.340 7.486 11.651 264 H ALA 37 H ALA 37 -5.040 8.794 7.078 265 HA ALA 37 HA ALA 37 -5.406 10.414 9.417 266 HB1 ALA 37 HB1 ALA 37 -3.408 11.447 8.838 267 HB2 ALA 37 HB2 ALA 37 -3.237 9.753 8.299 268 HB3 ALA 37 HB3 ALA 37 -3.614 11.041 7.122 269 H SER 38 H SER 38 -6.073 10.692 5.958 270 HA SER 38 HA SER 38 -6.933 13.484 6.079 271 HB2 SER 38 HB2 SER 38 -6.147 12.410 3.982 272 HB3 SER 38 HB3 SER 38 -7.546 11.319 4.029 273 HG SER 38 HG SER 38 -7.912 13.135 2.690 274 H ASN 39 H ASN 39 -9.123 14.230 5.938 275 HA ASN 39 HA ASN 39 -10.980 12.575 7.521 276 HB2 ASN 39 HB2 ASN 39 -10.486 15.075 7.848 277 HB3 ASN 39 HB3 ASN 39 -11.471 15.331 6.399 278 HD21 ASN 39 HD21 ASN 39 -13.454 15.962 6.918 279 HD22 ASN 39 HD22 ASN 39 -14.383 15.384 8.278 280 H ASP 40 H ASP 40 -10.714 11.289 5.194 281 HA ASP 40 HA ASP 40 -12.563 12.192 3.155 282 HB2 ASP 40 HB2 ASP 40 -10.619 10.586 2.831 283 HB3 ASP 40 HB3 ASP 40 -11.617 9.345 3.603 284 H MET 41 H MET 41 -14.676 11.972 3.030 285 HA MET 41 HA MET 41 -16.248 11.006 5.246 286 HB2 MET 41 HB2 MET 41 -17.024 11.752 2.404 287 HB3 MET 41 HB3 MET 41 -18.161 11.484 3.731 288 HG2 MET 41 HG2 MET 41 -17.193 13.386 4.958 289 HG3 MET 41 HG3 MET 41 -16.020 13.638 3.654 290 HE1 MET 41 HE1 MET 41 -19.672 14.112 4.907 291 HE2 MET 41 HE2 MET 41 -20.572 14.540 3.433 292 HE3 MET 41 HE3 MET 41 -19.999 12.872 3.673 293 H TYR 42 H TYR 42 -14.837 9.420 2.554 294 HA TYR 42 HA TYR 42 -16.584 7.020 3.025 295 HB2 TYR 42 HB2 TYR 42 -15.277 7.925 0.430 296 HB3 TYR 42 HB3 TYR 42 -16.179 6.422 0.657 297 HD1 TYR 42 HD1 TYR 42 -16.457 10.129 0.417 298 HD2 TYR 42 HD2 TYR 42 -18.628 6.424 0.686 299 HE1 TYR 42 HE1 TYR 42 -18.566 11.316 -0.198 300 HE2 TYR 42 HE2 TYR 42 -20.732 7.621 0.072 301 HH TYR 42 HH TYR 42 -21.694 9.627 -0.457 302 H HIS 43 H HIS 43 -15.242 4.967 2.785 303 HA HIS 43 HA HIS 43 -12.622 5.543 3.940 304 HB2 HIS 43 HB2 HIS 43 -13.521 2.830 2.974 305 HB3 HIS 43 HB3 HIS 43 -12.459 3.222 4.325 306 HD1 HIS 43 HD1 HIS 43 -16.010 2.626 3.406 307 HD2 HIS 43 HD2 HIS 43 -13.893 4.141 6.647 308 HE1 HIS 43 HE1 HIS 43 -17.610 2.662 5.355 309 H SER 44 H SER 44 -11.004 6.226 2.577 310 HA SER 44 HA SER 44 -10.729 4.985 -0.093 311 HB2 SER 44 HB2 SER 44 -9.240 7.172 1.407 312 HB3 SER 44 HB3 SER 44 -8.562 6.385 -0.033 313 HG SER 44 HG SER 44 -10.766 8.114 0.187 314 H ARG 45 H ARG 45 -9.186 3.531 -0.516 315 HA ARG 45 HA ARG 45 -7.613 2.501 1.782 316 HB2 ARG 45 HB2 ARG 45 -10.005 1.580 1.651 317 HB3 ARG 45 HB3 ARG 45 -9.513 0.763 0.169 318 HG2 ARG 45 HG2 ARG 45 -7.869 -0.532 1.374 319 HG3 ARG 45 HG3 ARG 45 -8.180 0.395 2.858 320 HD2 ARG 45 HD2 ARG 45 -10.250 -1.295 1.403 321 HD3 ARG 45 HD3 ARG 45 -9.335 -1.831 2.830 322 HE ARG 45 HE ARG 45 -10.455 0.576 3.599 323 HH11 ARG 45 HH11 ARG 45 -11.847 -2.448 2.401 324 HH12 ARG 45 HH12 ARG 45 -13.351 -2.178 3.245 325 HH21 ARG 45 HH21 ARG 45 -12.379 0.813 4.652 326 HH22 ARG 45 HH22 ARG 45 -13.653 -0.372 4.478 327 H ALA 46 H ALA 46 -5.816 1.312 1.210 328 HA ALA 46 HA ALA 46 -4.928 1.334 -1.559 329 HB1 ALA 46 HB1 ALA 46 -3.231 1.347 0.285 330 HB2 ALA 46 HB2 ALA 46 -3.905 -0.155 0.954 331 HB3 ALA 46 HB3 ALA 46 -3.075 -0.178 -0.642 332 H LEU 47 H LEU 47 -6.283 0.241 -2.882 333 HA LEU 47 HA LEU 47 -7.925 -1.983 -2.052 334 HB2 LEU 47 HB2 LEU 47 -7.040 -0.821 -4.706 335 HB3 LEU 47 HB3 LEU 47 -8.010 -2.269 -4.627 336 HG LEU 47 HG LEU 47 -8.900 0.469 -3.711 337 HD11 LEU 47 HD11 LEU 47 -9.285 -1.259 -6.192 338 HD12 LEU 47 HD12 LEU 47 -10.302 0.160 -5.823 339 HD13 LEU 47 HD13 LEU 47 -8.556 0.353 -6.092 340 HD21 LEU 47 HD21 LEU 47 -11.155 -0.596 -3.671 341 HD22 LEU 47 HD22 LEU 47 -10.396 -2.177 -3.967 342 HD23 LEU 47 HD23 LEU 47 -10.066 -1.296 -2.458 343 H GLN 48 H GLN 48 -5.021 -1.621 -4.011 344 HA GLN 48 HA GLN 48 -4.407 -4.499 -3.727 345 HB2 GLN 48 HB2 GLN 48 -5.936 -4.061 -5.740 346 HB3 GLN 48 HB3 GLN 48 -4.675 -3.015 -6.380 347 HG2 GLN 48 HG2 GLN 48 -3.099 -5.041 -6.235 348 HG3 GLN 48 HG3 GLN 48 -4.561 -6.011 -5.987 349 HE21 GLN 48 HE21 GLN 48 -6.347 -5.522 -7.682 350 HE22 GLN 48 HE22 GLN 48 -5.773 -5.379 -9.332 351 H VAL 49 H VAL 49 -2.218 -4.634 -3.330 352 HA VAL 49 HA VAL 49 -0.573 -2.300 -3.927 353 HB VAL 49 HB VAL 49 -0.101 -4.810 -2.351 354 HG11 VAL 49 HG11 VAL 49 1.785 -4.920 -3.955 355 HG12 VAL 49 HG12 VAL 49 2.166 -3.210 -3.624 356 HG13 VAL 49 HG13 VAL 49 2.342 -4.435 -2.351 357 HG21 VAL 49 HG21 VAL 49 0.983 -3.168 -0.840 358 HG22 VAL 49 HG22 VAL 49 0.847 -1.858 -2.056 359 HG23 VAL 49 HG23 VAL 49 -0.617 -2.569 -1.301 360 H VAL 50 H VAL 50 0.530 -1.987 -5.717 361 HA VAL 50 HA VAL 50 0.431 -4.052 -7.818 362 HB VAL 50 HB VAL 50 1.709 -1.265 -7.864 363 HG11 VAL 50 HG11 VAL 50 2.520 -2.812 -9.648 364 HG12 VAL 50 HG12 VAL 50 0.841 -3.107 -10.144 365 HG13 VAL 50 HG13 VAL 50 1.553 -1.485 -10.319 366 HG21 VAL 50 HG21 VAL 50 -0.356 -0.592 -9.094 367 HG22 VAL 50 HG22 VAL 50 -1.067 -2.175 -8.701 368 HG23 VAL 50 HG23 VAL 50 -0.661 -1.027 -7.404 369 H ARG 51 H ARG 51 2.805 -2.230 -5.836 370 HA ARG 51 HA ARG 51 4.742 -4.469 -6.150 371 HB2 ARG 51 HB2 ARG 51 5.450 -1.555 -6.697 372 HB3 ARG 51 HB3 ARG 51 6.602 -2.875 -6.566 373 HG2 ARG 51 HG2 ARG 51 4.486 -2.591 -8.718 374 HG3 ARG 51 HG3 ARG 51 6.198 -2.210 -8.906 375 HD2 ARG 51 HD2 ARG 51 5.106 -4.961 -8.213 376 HD3 ARG 51 HD3 ARG 51 5.525 -4.437 -9.837 377 HE ARG 51 HE ARG 51 7.456 -4.814 -7.562 378 HH11 ARG 51 HH11 ARG 51 6.870 -4.654 -11.055 379 HH12 ARG 51 HH12 ARG 51 8.506 -5.123 -11.437 380 HH21 ARG 51 HH21 ARG 51 9.515 -5.360 -8.127 381 HH22 ARG 51 HH22 ARG 51 9.971 -5.530 -9.809 382 H ALA 52 H ALA 52 6.151 -4.636 -4.399 383 HA ALA 52 HA ALA 52 5.898 -2.611 -2.233 384 HB1 ALA 52 HB1 ALA 52 5.327 -5.601 -2.023 385 HB2 ALA 52 HB2 ALA 52 5.717 -4.573 -0.630 386 HB3 ALA 52 HB3 ALA 52 4.257 -4.249 -1.575 387 H ARG 53 H ARG 53 7.994 -1.953 -2.287 388 HA ARG 53 HA ARG 53 10.007 -4.134 -2.024 389 HB2 ARG 53 HB2 ARG 53 11.394 -3.181 -3.762 390 HB3 ARG 53 HB3 ARG 53 9.815 -3.616 -4.406 391 HG2 ARG 53 HG2 ARG 53 10.021 -0.929 -3.452 392 HG3 ARG 53 HG3 ARG 53 11.097 -1.301 -4.792 393 HD2 ARG 53 HD2 ARG 53 8.164 -1.988 -4.851 394 HD3 ARG 53 HD3 ARG 53 8.757 -0.382 -5.305 395 HE ARG 53 HE ARG 53 9.952 -2.773 -6.610 396 HH11 ARG 53 HH11 ARG 53 7.831 0.081 -6.954 397 HH12 ARG 53 HH12 ARG 53 7.969 0.056 -8.687 398 HH21 ARG 53 HH21 ARG 53 10.038 -2.714 -8.807 399 HH22 ARG 53 HH22 ARG 53 9.170 -1.504 -9.719 400 H LYS 54 H LYS 54 12.143 -3.342 -1.563 401 HA LYS 54 HA LYS 54 12.194 -0.709 -0.249 402 HB2 LYS 54 HB2 LYS 54 13.019 -1.682 1.913 403 HB3 LYS 54 HB3 LYS 54 11.316 -1.908 1.591 404 HG2 LYS 54 HG2 LYS 54 13.413 -4.096 1.131 405 HG3 LYS 54 HG3 LYS 54 12.558 -3.882 2.652 406 HD2 LYS 54 HD2 LYS 54 11.420 -4.850 -0.005 407 HD3 LYS 54 HD3 LYS 54 11.435 -5.683 1.540 408 HE2 LYS 54 HE2 LYS 54 9.780 -3.203 0.892 409 HE3 LYS 54 HE3 LYS 54 9.186 -4.866 0.925 410 HZ1 LYS 54 HZ1 LYS 54 8.707 -3.712 2.976 411 HZ2 LYS 54 HZ2 LYS 54 9.750 -4.958 3.261 412 HZ3 LYS 54 HZ3 LYS 54 10.307 -3.405 3.232 413 H GLN 55 H GLN 55 14.136 0.134 0.152 414 HA GLN 55 HA GLN 55 16.460 -1.159 -1.176 415 HB2 GLN 55 HB2 GLN 55 15.671 1.138 -1.807 416 HB3 GLN 55 HB3 GLN 55 15.987 1.657 -0.150 417 HG2 GLN 55 HG2 GLN 55 18.386 1.172 -0.453 418 HG3 GLN 55 HG3 GLN 55 18.067 0.651 -2.117 419 HE21 GLN 55 HE21 GLN 55 19.862 2.697 -1.554 420 HE22 GLN 55 HE22 GLN 55 19.195 4.207 -2.127 421 H ILE 56 H ILE 56 18.309 -1.678 0.015 422 HA ILE 56 HA ILE 56 18.186 -1.099 2.952 423 HB ILE 56 HB ILE 56 19.223 -3.651 1.609 424 HG12 ILE 56 HG12 ILE 56 17.249 -4.486 3.293 425 HG13 ILE 56 HG13 ILE 56 16.583 -2.927 2.810 426 HG21 ILE 56 HG21 ILE 56 20.464 -3.078 3.686 427 HG22 ILE 56 HG22 ILE 56 18.928 -2.936 4.575 428 HG23 ILE 56 HG23 ILE 56 19.454 -4.513 3.930 429 HD11 ILE 56 HD11 ILE 56 16.777 -3.643 0.398 430 HD12 ILE 56 HD12 ILE 56 17.363 -5.224 0.951 431 HD13 ILE 56 HD13 ILE 56 15.719 -4.691 1.354 432 H GLY 57 H GLY 57 19.984 -0.104 3.709 433 HA2 GLY 57 HA2 GLY 57 22.634 -0.543 2.897 434 HA3 GLY 57 HA3 GLY 57 22.003 0.795 1.902 435 H ALA 58 H ALA 58 23.385 2.330 2.994 436 HA ALA 58 HA ALA 58 23.379 2.715 5.828 437 HB1 ALA 58 HB1 ALA 58 23.888 4.725 3.580 438 HB2 ALA 58 HB2 ALA 58 24.325 4.940 5.291 439 HB3 ALA 58 HB3 ALA 58 25.110 3.666 4.331 440 H GLY 59 H GLY 59 21.109 3.525 3.326 441 HA2 GLY 59 HA2 GLY 59 19.351 4.795 5.376 442 HA3 GLY 59 HA3 GLY 59 19.412 5.366 3.679 443 H VAL 60 H VAL 60 17.094 4.089 5.083 444 HA VAL 60 HA VAL 60 16.879 1.667 3.328 445 HB VAL 60 HB VAL 60 15.739 2.119 6.126 446 HG11 VAL 60 HG11 VAL 60 14.056 0.986 4.711 447 HG12 VAL 60 HG12 VAL 60 15.269 -0.220 4.220 448 HG13 VAL 60 HG13 VAL 60 14.726 -0.135 5.910 449 HG21 VAL 60 HG21 VAL 60 17.694 0.033 5.070 450 HG22 VAL 60 HG22 VAL 60 18.101 1.408 6.120 451 HG23 VAL 60 HG23 VAL 60 17.054 0.112 6.729 452 H ASN 61 H ASN 61 15.355 1.947 1.801 453 HA ASN 61 HA ASN 61 13.305 4.077 2.318 454 HB2 ASN 61 HB2 ASN 61 14.756 3.464 -0.284 455 HB3 ASN 61 HB3 ASN 61 13.401 4.579 -0.111 456 HD21 ASN 61 HD21 ASN 61 13.982 6.618 -0.065 457 HD22 ASN 61 HD22 ASN 61 15.465 7.245 0.609 458 H TYR 62 H TYR 62 11.327 3.289 2.363 459 HA TYR 62 HA TYR 62 10.763 0.680 1.043 460 HB2 TYR 62 HB2 TYR 62 9.054 2.549 2.724 461 HB3 TYR 62 HB3 TYR 62 8.498 1.019 2.065 462 HD1 TYR 62 HD1 TYR 62 9.497 -1.141 2.935 463 HD2 TYR 62 HD2 TYR 62 10.287 2.656 4.795 464 HE1 TYR 62 HE1 TYR 62 10.214 -2.305 5.038 465 HE2 TYR 62 HE2 TYR 62 10.974 1.479 6.886 466 HH TYR 62 HH TYR 62 11.030 -2.076 7.152 467 H PHE 63 H PHE 63 9.658 0.572 -0.882 468 HA PHE 63 HA PHE 63 8.322 3.083 -1.854 469 HB2 PHE 63 HB2 PHE 63 9.765 0.969 -3.477 470 HB3 PHE 63 HB3 PHE 63 8.866 2.321 -4.148 471 HD1 PHE 63 HD1 PHE 63 11.927 1.290 -2.312 472 HD2 PHE 63 HD2 PHE 63 9.859 4.529 -4.246 473 HE1 PHE 63 HE1 PHE 63 14.021 2.629 -2.291 474 HE2 PHE 63 HE2 PHE 63 11.955 5.878 -4.224 475 HZ PHE 63 HZ PHE 63 14.043 4.928 -3.244 476 H LEU 64 H LEU 64 6.202 2.708 -1.705 477 HA LEU 64 HA LEU 64 5.221 -0.096 -2.122 478 HB2 LEU 64 HB2 LEU 64 5.276 0.775 0.261 479 HB3 LEU 64 HB3 LEU 64 4.121 2.003 -0.212 480 HG LEU 64 HG LEU 64 3.282 -0.050 1.050 481 HD11 LEU 64 HD11 LEU 64 1.167 -0.120 -0.109 482 HD12 LEU 64 HD12 LEU 64 1.788 1.543 -0.131 483 HD13 LEU 64 HD13 LEU 64 1.900 0.533 -1.591 484 HD21 LEU 64 HD21 LEU 64 2.857 -2.066 -0.211 485 HD22 LEU 64 HD22 LEU 64 3.496 -1.360 -1.690 486 HD23 LEU 64 HD23 LEU 64 4.580 -1.695 -0.315 487 H ASP 65 H ASP 65 4.045 -0.231 -3.874 488 HA ASP 65 HA ASP 65 2.566 2.234 -4.774 489 HB2 ASP 65 HB2 ASP 65 3.685 -0.104 -6.422 490 HB3 ASP 65 HB3 ASP 65 2.845 1.312 -7.074 491 H VAL 66 H VAL 66 0.753 2.229 -5.260 492 HA VAL 66 HA VAL 66 -0.945 -0.056 -4.832 493 HB VAL 66 HB VAL 66 -0.108 1.512 -2.623 494 HG11 VAL 66 HG11 VAL 66 -2.105 2.873 -3.233 495 HG12 VAL 66 HG12 VAL 66 -3.094 1.391 -3.120 496 HG13 VAL 66 HG13 VAL 66 -2.240 2.039 -1.687 497 HG21 VAL 66 HG21 VAL 66 -1.136 -0.096 -1.466 498 HG22 VAL 66 HG22 VAL 66 -2.170 -0.558 -2.860 499 HG23 VAL 66 HG23 VAL 66 -0.427 -0.753 -2.920 500 H GLU 67 H GLU 67 -2.875 -0.153 -5.300 501 HA GLU 67 HA GLU 67 -3.910 1.915 -7.139 502 HB2 GLU 67 HB2 GLU 67 -3.871 -0.602 -7.572 503 HB3 GLU 67 HB3 GLU 67 -5.070 -0.761 -6.286 504 HG2 GLU 67 HG2 GLU 67 -6.560 0.753 -7.575 505 HG3 GLU 67 HG3 GLU 67 -5.363 0.738 -8.885 506 H LEU 68 H LEU 68 -5.582 3.254 -6.592 507 HA LEU 68 HA LEU 68 -6.790 2.888 -3.881 508 HB2 LEU 68 HB2 LEU 68 -6.042 5.306 -5.447 509 HB3 LEU 68 HB3 LEU 68 -7.482 5.406 -4.461 510 HG LEU 68 HG LEU 68 -5.304 6.308 -3.502 511 HD11 LEU 68 HD11 LEU 68 -5.952 5.549 -1.225 512 HD12 LEU 68 HD12 LEU 68 -7.336 6.060 -2.215 513 HD13 LEU 68 HD13 LEU 68 -7.011 4.332 -1.958 514 HD21 LEU 68 HD21 LEU 68 -3.899 4.302 -4.013 515 HD22 LEU 68 HD22 LEU 68 -3.853 4.831 -2.318 516 HD23 LEU 68 HD23 LEU 68 -4.818 3.410 -2.781 517 H GLY 69 H GLY 69 -8.846 3.287 -3.468 518 HA2 GLY 69 HA2 GLY 69 -10.780 4.006 -5.464 519 HA3 GLY 69 HA3 GLY 69 -10.828 2.254 -5.084 520 H ARG 70 H ARG 70 -12.985 3.826 -4.260 521 HA ARG 70 HA ARG 70 -12.436 4.097 -1.337 522 HB2 ARG 70 HB2 ARG 70 -14.548 5.505 -3.000 523 HB3 ARG 70 HB3 ARG 70 -14.355 5.615 -1.239 524 HG2 ARG 70 HG2 ARG 70 -11.881 6.284 -1.848 525 HG3 ARG 70 HG3 ARG 70 -12.571 6.711 -3.417 526 HD2 ARG 70 HD2 ARG 70 -13.595 7.761 -0.761 527 HD3 ARG 70 HD3 ARG 70 -12.373 8.582 -1.739 528 HE ARG 70 HE ARG 70 -14.622 8.049 -3.381 529 HH11 ARG 70 HH11 ARG 70 -13.737 10.138 -0.656 530 HH12 ARG 70 HH12 ARG 70 -14.844 11.389 -1.160 531 HH21 ARG 70 HH21 ARG 70 -16.013 9.689 -3.934 532 HH22 ARG 70 HH22 ARG 70 -16.123 11.128 -2.961 533 H THR 71 H THR 71 -13.650 2.987 0.023 534 HA THR 71 HA THR 71 -15.333 0.873 -1.251 535 HB THR 71 HB THR 71 -14.509 -0.602 0.594 536 HG1 THR 71 HG1 THR 71 -13.039 1.758 1.225 537 HG21 THR 71 HG21 THR 71 -12.131 0.759 -0.752 538 HG22 THR 71 HG22 THR 71 -12.270 -0.931 -0.218 539 HG23 THR 71 HG23 THR 71 -13.216 -0.364 -1.604 540 H THR 72 H THR 72 -17.191 0.174 -0.153 541 HA THR 72 HA THR 72 -18.368 2.309 1.495 542 HB THR 72 HB THR 72 -20.457 0.936 1.202 543 HG1 THR 72 HG1 THR 72 -20.211 -0.810 -0.349 544 HG21 THR 72 HG21 THR 72 -20.719 1.370 -1.169 545 HG22 THR 72 HG22 THR 72 -19.743 2.682 -0.477 546 HG23 THR 72 HG23 THR 72 -18.960 1.386 -1.417 547 H CYS 73 H CYS 73 -17.087 -0.913 2.045 548 HA CYS 73 HA CYS 73 -18.622 -1.125 4.561 549 HB2 CYS 73 HB2 CYS 73 -16.793 -3.149 3.271 550 HB3 CYS 73 HB3 CYS 73 -17.943 -3.438 4.584 551 H THR 74 H THR 74 -17.652 -1.622 6.566 552 HA THR 74 HA THR 74 -14.868 -0.634 6.790 553 HB THR 74 HB THR 74 -15.344 0.177 8.927 554 HG1 THR 74 HG1 THR 74 -17.113 -0.771 10.162 555 HG21 THR 74 HG21 THR 74 -17.408 1.209 9.058 556 HG22 THR 74 HG22 THR 74 -17.047 1.136 7.324 557 HG23 THR 74 HG23 THR 74 -18.193 -0.023 8.047 558 H LYS 75 H LYS 75 -13.775 -1.491 8.700 559 HA LYS 75 HA LYS 75 -13.223 -4.250 8.481 560 HB2 LYS 75 HB2 LYS 75 -11.932 -3.841 10.598 561 HB3 LYS 75 HB3 LYS 75 -11.586 -2.674 9.312 562 HG2 LYS 75 HG2 LYS 75 -12.367 -0.901 10.535 563 HG3 LYS 75 HG3 LYS 75 -13.810 -1.768 11.086 564 HD2 LYS 75 HD2 LYS 75 -12.389 -1.189 13.004 565 HD3 LYS 75 HD3 LYS 75 -12.476 -2.943 12.805 566 HE2 LYS 75 HE2 LYS 75 -10.202 -2.332 13.373 567 HE3 LYS 75 HE3 LYS 75 -10.232 -2.927 11.709 568 HZ1 LYS 75 HZ1 LYS 75 -8.870 -0.953 11.928 569 HZ2 LYS 75 HZ2 LYS 75 -10.159 -0.627 10.952 570 HZ3 LYS 75 HZ3 LYS 75 -10.140 -0.075 12.508 571 H THR 76 H THR 76 -15.581 -2.665 10.436 572 HA THR 76 HA THR 76 -15.962 -5.063 12.156 573 HB THR 76 HB THR 76 -17.633 -3.206 12.876 574 HG1 THR 76 HG1 THR 76 -16.851 -1.178 12.664 575 HG21 THR 76 HG21 THR 76 -15.954 -4.191 14.404 576 HG22 THR 76 HG22 THR 76 -14.694 -3.206 13.627 577 HG23 THR 76 HG23 THR 76 -15.967 -2.423 14.591 578 H GLN 77 H GLN 77 -17.234 -3.268 9.710 579 HA GLN 77 HA GLN 77 -19.996 -4.129 9.837 580 HB2 GLN 77 HB2 GLN 77 -18.341 -2.670 7.830 581 HB3 GLN 77 HB3 GLN 77 -19.804 -3.475 7.267 582 HG2 GLN 77 HG2 GLN 77 -21.054 -2.281 9.111 583 HG3 GLN 77 HG3 GLN 77 -19.592 -1.317 9.375 584 HE21 GLN 77 HE21 GLN 77 -22.237 -0.420 8.492 585 HE22 GLN 77 HE22 GLN 77 -21.992 0.304 6.921 586 HA PRO 78 HA PRO 78 -19.507 -8.136 8.293 587 HB2 PRO 78 HB2 PRO 78 -21.802 -8.591 6.888 588 HB3 PRO 78 HB3 PRO 78 -21.810 -8.324 8.661 589 HG2 PRO 78 HG2 PRO 78 -22.299 -6.321 6.454 590 HG3 PRO 78 HG3 PRO 78 -23.326 -6.686 7.881 591 HD2 PRO 78 HD2 PRO 78 -21.575 -4.601 7.889 592 HD3 PRO 78 HD3 PRO 78 -21.833 -5.610 9.359 593 H ASN 79 H ASN 79 -19.466 -9.551 6.377 594 HA ASN 79 HA ASN 79 -18.860 -10.168 4.303 595 HB2 ASN 79 HB2 ASN 79 -20.026 -7.549 3.326 596 HB3 ASN 79 HB3 ASN 79 -19.795 -9.038 2.406 597 HD21 ASN 79 HD21 ASN 79 -22.212 -7.472 2.958 598 HD22 ASN 79 HD22 ASN 79 -23.326 -8.596 3.698 599 H LEU 80 H LEU 80 -16.673 -9.045 5.664 600 HA LEU 80 HA LEU 80 -15.237 -7.153 4.074 601 HB2 LEU 80 HB2 LEU 80 -14.436 -9.183 6.127 602 HB3 LEU 80 HB3 LEU 80 -13.197 -8.514 5.077 603 HG LEU 80 HG LEU 80 -13.944 -6.210 5.791 604 HD11 LEU 80 HD11 LEU 80 -15.319 -7.838 7.954 605 HD12 LEU 80 HD12 LEU 80 -15.044 -6.085 7.995 606 HD13 LEU 80 HD13 LEU 80 -16.102 -6.773 6.761 607 HD21 LEU 80 HD21 LEU 80 -11.886 -7.275 6.549 608 HD22 LEU 80 HD22 LEU 80 -12.627 -6.376 7.892 609 HD23 LEU 80 HD23 LEU 80 -12.768 -8.146 7.828 610 H ASP 81 H ASP 81 -15.910 -10.499 3.410 611 HA ASP 81 HA ASP 81 -13.582 -10.787 1.683 612 HB2 ASP 81 HB2 ASP 81 -16.167 -12.375 1.626 613 HB3 ASP 81 HB3 ASP 81 -14.563 -12.907 1.093 614 H ASN 82 H ASN 82 -16.999 -10.019 1.395 615 HA ASN 82 HA ASN 82 -16.968 -10.101 -1.501 616 HB2 ASN 82 HB2 ASN 82 -19.089 -9.045 0.392 617 HB3 ASN 82 HB3 ASN 82 -19.312 -9.394 -1.325 618 HD21 ASN 82 HD21 ASN 82 -18.804 -11.680 -1.983 619 HD22 ASN 82 HD22 ASN 82 -19.272 -12.935 -0.861 620 H CYS 83 H CYS 83 -17.135 -7.399 0.899 621 HA CYS 83 HA CYS 83 -17.758 -5.469 -1.085 622 HB2 CYS 83 HB2 CYS 83 -16.204 -4.981 1.469 623 HB3 CYS 83 HB3 CYS 83 -17.019 -3.767 0.480 624 HA PRO 84 HA PRO 84 -13.315 -4.367 -1.811 625 HB2 PRO 84 HB2 PRO 84 -11.214 -5.947 -1.050 626 HB3 PRO 84 HB3 PRO 84 -11.880 -4.626 -0.035 627 HG2 PRO 84 HG2 PRO 84 -12.470 -7.557 0.067 628 HG3 PRO 84 HG3 PRO 84 -12.031 -6.442 1.405 629 HD2 PRO 84 HD2 PRO 84 -14.581 -7.117 0.914 630 HD3 PRO 84 HD3 PRO 84 -14.131 -5.457 1.430 631 H PHE 85 H PHE 85 -14.152 -7.863 -1.880 632 HA PHE 85 HA PHE 85 -12.659 -8.518 -4.234 633 HB2 PHE 85 HB2 PHE 85 -13.753 -10.225 -2.884 634 HB3 PHE 85 HB3 PHE 85 -15.340 -9.526 -3.225 635 HD1 PHE 85 HD1 PHE 85 -12.435 -11.264 -4.799 636 HD2 PHE 85 HD2 PHE 85 -16.563 -10.112 -5.158 637 HE1 PHE 85 HE1 PHE 85 -12.652 -12.696 -6.827 638 HE2 PHE 85 HE2 PHE 85 -16.799 -11.551 -7.177 639 HZ PHE 85 HZ PHE 85 -14.840 -12.846 -8.019 640 H HIS 86 H HIS 86 -15.893 -7.017 -3.788 641 HA HIS 86 HA HIS 86 -16.260 -6.865 -6.702 642 HB2 HIS 86 HB2 HIS 86 -17.868 -5.783 -4.368 643 HB3 HIS 86 HB3 HIS 86 -18.329 -5.620 -6.067 644 HD1 HIS 86 HD1 HIS 86 -18.346 -8.195 -7.337 645 HD2 HIS 86 HD2 HIS 86 -19.063 -7.915 -3.252 646 HE1 HIS 86 HE1 HIS 86 -19.510 -10.332 -6.656 647 H ASP 87 H ASP 87 -15.146 -4.734 -4.109 648 HA ASP 87 HA ASP 87 -15.569 -2.252 -5.440 649 HB2 ASP 87 HB2 ASP 87 -13.553 -3.109 -3.336 650 HB3 ASP 87 HB3 ASP 87 -13.639 -1.455 -3.954 651 H GLN 88 H GLN 88 -12.659 -4.403 -5.415 652 HA GLN 88 HA GLN 88 -11.013 -2.687 -6.925 653 HB2 GLN 88 HB2 GLN 88 -11.095 -5.627 -6.473 654 HB3 GLN 88 HB3 GLN 88 -10.106 -5.034 -7.816 655 HG2 GLN 88 HG2 GLN 88 -8.922 -3.570 -6.331 656 HG3 GLN 88 HG3 GLN 88 -9.908 -4.120 -4.962 657 HE21 GLN 88 HE21 GLN 88 -8.918 -5.560 -3.717 658 HE22 GLN 88 HE22 GLN 88 -7.759 -6.743 -4.260 659 HA PRO 89 HA PRO 89 -12.254 -4.508 -11.017 660 HB2 PRO 89 HB2 PRO 89 -14.744 -5.702 -11.303 661 HB3 PRO 89 HB3 PRO 89 -13.224 -6.623 -11.019 662 HG2 PRO 89 HG2 PRO 89 -15.310 -5.733 -9.054 663 HG3 PRO 89 HG3 PRO 89 -14.542 -7.339 -9.230 664 HD2 PRO 89 HD2 PRO 89 -13.721 -5.619 -7.390 665 HD3 PRO 89 HD3 PRO 89 -12.545 -6.614 -8.304 666 H HIS 90 H HIS 90 -14.731 -3.214 -8.855 667 HA HIS 90 HA HIS 90 -16.322 -2.021 -10.953 668 HB2 HIS 90 HB2 HIS 90 -16.091 -1.652 -7.984 669 HB3 HIS 90 HB3 HIS 90 -17.154 -0.636 -8.968 670 HD1 HIS 90 HD1 HIS 90 -18.544 -2.337 -6.890 671 HD2 HIS 90 HD2 HIS 90 -17.696 -3.721 -10.715 672 HE1 HIS 90 HE1 HIS 90 -20.154 -4.226 -7.352 673 H LEU 91 H LEU 91 -13.347 -1.073 -9.322 674 HA LEU 91 HA LEU 91 -13.571 1.718 -10.158 675 HB2 LEU 91 HB2 LEU 91 -11.394 0.001 -8.996 676 HB3 LEU 91 HB3 LEU 91 -10.935 1.465 -9.839 677 HG LEU 91 HG LEU 91 -10.944 1.807 -7.459 678 HD11 LEU 91 HD11 LEU 91 -11.490 3.682 -9.000 679 HD12 LEU 91 HD12 LEU 91 -13.223 3.354 -8.758 680 HD13 LEU 91 HD13 LEU 91 -12.213 3.875 -7.397 681 HD21 LEU 91 HD21 LEU 91 -13.917 1.193 -7.531 682 HD22 LEU 91 HD22 LEU 91 -12.645 0.259 -6.713 683 HD23 LEU 91 HD23 LEU 91 -13.039 1.894 -6.156 684 H LYS 92 H LYS 92 -14.198 1.451 -12.374 685 HA LYS 92 HA LYS 92 -12.358 0.200 -14.267 686 HB2 LYS 92 HB2 LYS 92 -14.702 2.106 -14.572 687 HB3 LYS 92 HB3 LYS 92 -13.642 1.719 -15.933 688 HG2 LYS 92 HG2 LYS 92 -15.088 0.032 -16.308 689 HG3 LYS 92 HG3 LYS 92 -14.160 -0.787 -15.040 690 HD2 LYS 92 HD2 LYS 92 -15.949 0.541 -13.499 691 HD3 LYS 92 HD3 LYS 92 -16.918 0.350 -14.968 692 HE2 LYS 92 HE2 LYS 92 -15.518 -1.858 -13.414 693 HE3 LYS 92 HE3 LYS 92 -17.257 -1.533 -13.412 694 HZ1 LYS 92 HZ1 LYS 92 -17.296 -2.083 -15.768 695 HZ2 LYS 92 HZ2 LYS 92 -15.670 -2.368 -15.771 696 HZ3 LYS 92 HZ3 LYS 92 -16.675 -3.343 -14.900 697 H ARG 93 H ARG 93 -12.807 3.400 -12.849 698 HA ARG 93 HA ARG 93 -10.539 4.490 -14.399 699 HB2 ARG 93 HB2 ARG 93 -12.581 5.868 -13.694 700 HB3 ARG 93 HB3 ARG 93 -11.994 5.760 -12.033 701 HG2 ARG 93 HG2 ARG 93 -10.021 6.694 -14.073 702 HG3 ARG 93 HG3 ARG 93 -11.382 7.784 -13.764 703 HD2 ARG 93 HD2 ARG 93 -9.658 6.639 -11.545 704 HD3 ARG 93 HD3 ARG 93 -9.281 8.156 -12.362 705 HE ARG 93 HE ARG 93 -11.546 7.627 -10.514 706 HH11 ARG 93 HH11 ARG 93 -9.911 9.970 -12.609 707 HH12 ARG 93 HH12 ARG 93 -10.736 11.322 -11.882 708 HH21 ARG 93 HH21 ARG 93 -12.536 9.379 -9.648 709 HH22 ARG 93 HH22 ARG 93 -12.211 10.991 -10.247 710 H LYS 94 H LYS 94 -8.905 3.060 -13.799 711 HA LYS 94 HA LYS 94 -8.444 2.375 -11.015 712 HB2 LYS 94 HB2 LYS 94 -6.795 2.054 -13.547 713 HB3 LYS 94 HB3 LYS 94 -6.263 1.490 -11.961 714 HG2 LYS 94 HG2 LYS 94 -8.803 0.543 -13.330 715 HG3 LYS 94 HG3 LYS 94 -7.239 -0.298 -13.368 716 HD2 LYS 94 HD2 LYS 94 -7.276 -0.256 -10.847 717 HD3 LYS 94 HD3 LYS 94 -8.956 0.281 -10.936 718 HE2 LYS 94 HE2 LYS 94 -9.535 -1.753 -12.207 719 HE3 LYS 94 HE3 LYS 94 -7.835 -2.281 -12.116 720 HZ1 LYS 94 HZ1 LYS 94 -9.707 -1.923 -9.856 721 HZ2 LYS 94 HZ2 LYS 94 -9.011 -3.326 -10.363 722 HZ3 LYS 94 HZ3 LYS 94 -8.081 -2.159 -9.653 723 H ALA 95 H ALA 95 -7.839 3.835 -9.596 724 HA ALA 95 HA ALA 95 -5.999 6.004 -10.389 725 HB1 ALA 95 HB1 ALA 95 -7.253 5.322 -7.700 726 HB2 ALA 95 HB2 ALA 95 -6.446 6.841 -8.146 727 HB3 ALA 95 HB3 ALA 95 -7.985 6.394 -8.907 728 H PHE 96 H PHE 96 -3.808 5.913 -9.925 729 HA PHE 96 HA PHE 96 -2.966 3.782 -8.016 730 HB2 PHE 96 HB2 PHE 96 -1.507 4.634 -10.527 731 HB3 PHE 96 HB3 PHE 96 -0.905 3.520 -9.290 732 HD1 PHE 96 HD1 PHE 96 -2.103 1.340 -8.874 733 HD2 PHE 96 HD2 PHE 96 -2.953 3.845 -12.268 734 HE1 PHE 96 HE1 PHE 96 -3.164 -0.596 -10.029 735 HE2 PHE 96 HE2 PHE 96 -3.999 1.914 -13.436 736 HZ PHE 96 HZ PHE 96 -4.106 -0.315 -12.314 737 H CYS 97 H CYS 97 -1.515 4.265 -6.579 738 HA CYS 97 HA CYS 97 -0.477 7.058 -6.416 739 HB2 CYS 97 HB2 CYS 97 -1.542 5.227 -4.233 740 HB3 CYS 97 HB3 CYS 97 -0.826 6.826 -3.971 741 H SER 98 H SER 98 1.520 7.258 -5.156 742 HA SER 98 HA SER 98 2.970 4.684 -4.713 743 HB2 SER 98 HB2 SER 98 4.059 7.216 -6.007 744 HB3 SER 98 HB3 SER 98 5.055 5.863 -5.438 745 HG SER 98 HG SER 98 4.118 4.528 -6.935 746 H PHE 99 H PHE 99 3.840 4.551 -2.783 747 HA PHE 99 HA PHE 99 4.031 7.059 -1.157 748 HB2 PHE 99 HB2 PHE 99 3.320 4.254 -0.236 749 HB3 PHE 99 HB3 PHE 99 3.475 5.682 0.796 750 HD1 PHE 99 HD1 PHE 99 1.888 7.646 0.390 751 HD2 PHE 99 HD2 PHE 99 1.265 3.749 -1.319 752 HE1 PHE 99 HE1 PHE 99 -0.489 8.225 -0.048 753 HE2 PHE 99 HE2 PHE 99 -1.125 4.314 -1.736 754 HZ PHE 99 HZ PHE 99 -2.007 6.558 -1.105 755 H GLN 100 H GLN 100 5.940 7.468 -0.296 756 HA GLN 100 HA GLN 100 7.993 5.283 -0.383 757 HB2 GLN 100 HB2 GLN 100 8.385 8.237 -0.950 758 HB3 GLN 100 HB3 GLN 100 9.669 7.031 -0.855 759 HG2 GLN 100 HG2 GLN 100 8.735 5.872 -2.814 760 HG3 GLN 100 HG3 GLN 100 7.417 7.050 -2.899 761 HE21 GLN 100 HE21 GLN 100 10.943 7.407 -2.379 762 HE22 GLN 100 HE22 GLN 100 11.175 8.525 -3.700 763 H ILE 101 H ILE 101 8.486 4.757 1.649 764 HA ILE 101 HA ILE 101 8.372 6.930 3.714 765 HB ILE 101 HB ILE 101 8.428 3.906 4.123 766 HG12 ILE 101 HG12 ILE 101 6.056 5.679 4.697 767 HG13 ILE 101 HG13 ILE 101 6.281 4.968 3.096 768 HG21 ILE 101 HG21 ILE 101 9.430 5.129 6.002 769 HG22 ILE 101 HG22 ILE 101 8.016 6.210 6.084 770 HG23 ILE 101 HG23 ILE 101 7.850 4.489 6.484 771 HD11 ILE 101 HD11 ILE 101 4.796 3.555 4.369 772 HD12 ILE 101 HD12 ILE 101 6.335 2.700 4.133 773 HD13 ILE 101 HD13 ILE 101 5.962 3.446 5.706 774 H TYR 102 H TYR 102 10.336 7.719 4.338 775 HA TYR 102 HA TYR 102 12.712 6.067 3.637 776 HB2 TYR 102 HB2 TYR 102 12.901 8.407 3.012 777 HB3 TYR 102 HB3 TYR 102 12.420 8.919 4.640 778 HD1 TYR 102 HD1 TYR 102 14.149 9.612 6.064 779 HD2 TYR 102 HD2 TYR 102 15.007 6.628 3.085 780 HE1 TYR 102 HE1 TYR 102 16.528 9.536 6.805 781 HE2 TYR 102 HE2 TYR 102 17.373 6.559 3.834 782 HH TYR 102 HH TYR 102 18.940 7.391 5.295 783 H ALA 103 H ALA 103 13.609 4.819 5.193 784 HA ALA 103 HA ALA 103 12.770 5.319 7.983 785 HB1 ALA 103 HB1 ALA 103 13.657 3.061 8.358 786 HB2 ALA 103 HB2 ALA 103 12.238 3.129 7.278 787 HB3 ALA 103 HB3 ALA 103 13.866 2.910 6.597 788 H VAL 104 H VAL 104 14.233 5.850 9.441 789 HA VAL 104 HA VAL 104 16.823 6.712 8.232 790 HB VAL 104 HB VAL 104 16.005 7.374 11.052 791 HG11 VAL 104 HG11 VAL 104 16.775 9.154 8.865 792 HG12 VAL 104 HG12 VAL 104 16.704 9.501 10.603 793 HG13 VAL 104 HG13 VAL 104 17.903 8.337 9.984 794 HG21 VAL 104 HG21 VAL 104 14.325 8.248 8.776 795 HG22 VAL 104 HG22 VAL 104 13.924 7.340 10.259 796 HG23 VAL 104 HG23 VAL 104 14.370 9.045 10.372 797 HA PRO 105 HA PRO 105 16.909 3.151 10.515 798 HB2 PRO 105 HB2 PRO 105 19.280 1.799 9.958 799 HB3 PRO 105 HB3 PRO 105 17.914 1.891 8.797 800 HG2 PRO 105 HG2 PRO 105 20.374 3.628 8.953 801 HG3 PRO 105 HG3 PRO 105 19.690 2.774 7.534 802 HD2 PRO 105 HD2 PRO 105 19.179 5.410 8.030 803 HD3 PRO 105 HD3 PRO 105 17.953 4.323 7.294 804 H TRP 106 H TRP 106 19.499 5.410 10.688 805 HA TRP 106 HA TRP 106 21.070 4.462 12.818 806 HB2 TRP 106 HB2 TRP 106 21.504 6.392 11.250 807 HB3 TRP 106 HB3 TRP 106 20.351 7.349 12.188 808 HD1 TRP 106 HD1 TRP 106 21.212 8.357 14.472 809 HE1 TRP 106 HE1 TRP 106 23.452 8.505 15.660 810 HE3 TRP 106 HE3 TRP 106 23.739 4.950 11.617 811 HZ2 TRP 106 HZ2 TRP 106 26.031 7.308 15.412 812 HZ3 TRP 106 HZ3 TRP 106 26.137 4.471 12.165 813 HH2 TRP 106 HH2 TRP 106 27.262 5.654 14.050 814 H GLN 107 H GLN 107 17.898 6.001 12.873 815 HA GLN 107 HA GLN 107 18.071 6.160 15.856 816 HB2 GLN 107 HB2 GLN 107 16.318 7.580 13.855 817 HB3 GLN 107 HB3 GLN 107 16.165 7.756 15.603 818 HG2 GLN 107 HG2 GLN 107 18.392 8.749 15.711 819 HG3 GLN 107 HG3 GLN 107 18.622 8.484 13.974 820 HE21 GLN 107 HE21 GLN 107 18.020 10.832 16.110 821 HE22 GLN 107 HE22 GLN 107 17.028 11.889 15.134 822 H GLY 108 H GLY 108 16.885 4.174 13.412 823 HA2 GLY 108 HA2 GLY 108 15.393 2.414 13.515 824 HA3 GLY 108 HA3 GLY 108 15.147 2.761 15.237 825 H THR 109 H THR 109 14.726 5.383 13.104 826 HA THR 109 HA THR 109 11.787 5.385 13.579 827 HB THR 109 HB THR 109 12.179 7.819 12.728 828 HG1 THR 109 HG1 THR 109 14.337 8.516 13.102 829 HG21 THR 109 HG21 THR 109 11.702 7.273 15.111 830 HG22 THR 109 HG22 THR 109 13.434 6.944 15.374 831 HG23 THR 109 HG23 THR 109 12.887 8.589 14.971 832 H MET 110 H MET 110 10.487 6.367 11.765 833 HA MET 110 HA MET 110 11.932 6.515 9.211 834 HB2 MET 110 HB2 MET 110 10.407 5.031 8.016 835 HB3 MET 110 HB3 MET 110 11.041 4.119 9.384 836 HG2 MET 110 HG2 MET 110 8.922 4.543 10.617 837 HG3 MET 110 HG3 MET 110 8.293 5.388 9.186 838 HE1 MET 110 HE1 MET 110 6.310 4.046 8.521 839 HE2 MET 110 HE2 MET 110 6.189 2.275 8.611 840 HE3 MET 110 HE3 MET 110 6.434 3.229 10.095 841 H THR 111 H THR 111 10.602 7.698 7.609 842 HA THR 111 HA THR 111 8.214 9.130 8.688 843 HB THR 111 HB THR 111 10.638 10.435 7.361 844 HG1 THR 111 HG1 THR 111 10.736 11.454 9.523 845 HG21 THR 111 HG21 THR 111 8.092 11.582 8.531 846 HG22 THR 111 HG22 THR 111 9.515 12.544 8.070 847 HG23 THR 111 HG23 THR 111 8.628 11.634 6.830 848 H LEU 112 H LEU 112 6.663 9.488 7.020 849 HA LEU 112 HA LEU 112 7.064 8.319 4.451 850 HB2 LEU 112 HB2 LEU 112 4.895 8.777 5.661 851 HB3 LEU 112 HB3 LEU 112 5.097 10.475 5.280 852 HG LEU 112 HG LEU 112 4.937 9.914 2.851 853 HD11 LEU 112 HD11 LEU 112 4.372 7.147 3.972 854 HD12 LEU 112 HD12 LEU 112 4.067 7.636 2.286 855 HD13 LEU 112 HD13 LEU 112 5.724 7.612 2.917 856 HD21 LEU 112 HD21 LEU 112 2.690 9.004 4.705 857 HD22 LEU 112 HD22 LEU 112 2.954 10.639 4.060 858 HD23 LEU 112 HD23 LEU 112 2.486 9.319 2.969 859 H SER 113 H SER 113 8.449 9.064 2.970 860 HA SER 113 HA SER 113 9.354 11.859 3.024 861 HB2 SER 113 HB2 SER 113 10.940 10.007 2.643 862 HB3 SER 113 HB3 SER 113 10.034 9.523 1.195 863 HG SER 113 HG SER 113 10.549 12.094 0.932 864 H LYS 114 H LYS 114 7.239 9.772 1.087 865 HA LYS 114 HA LYS 114 6.219 12.173 -0.298 866 HB2 LYS 114 HB2 LYS 114 8.124 11.403 -1.708 867 HB3 LYS 114 HB3 LYS 114 7.332 9.832 -1.883 868 HG2 LYS 114 HG2 LYS 114 5.468 10.805 -3.082 869 HG3 LYS 114 HG3 LYS 114 6.058 12.449 -2.725 870 HD2 LYS 114 HD2 LYS 114 8.131 11.925 -4.016 871 HD3 LYS 114 HD3 LYS 114 7.385 10.378 -4.475 872 HE2 LYS 114 HE2 LYS 114 5.473 11.606 -5.432 873 HE3 LYS 114 HE3 LYS 114 6.265 13.139 -5.019 874 HZ1 LYS 114 HZ1 LYS 114 6.659 12.485 -7.328 875 HZ2 LYS 114 HZ2 LYS 114 8.081 12.519 -6.491 876 HZ3 LYS 114 HZ3 LYS 114 7.369 11.075 -6.846 877 H SER 115 H SER 115 4.143 12.013 -0.818 878 HA SER 115 HA SER 115 2.908 9.334 -1.171 879 HB2 SER 115 HB2 SER 115 0.843 10.274 -0.063 880 HB3 SER 115 HB3 SER 115 2.188 10.028 1.066 881 HG SER 115 HG SER 115 1.590 12.499 -0.204 882 H THR 116 H THR 116 2.165 9.360 -3.214 883 HA THR 116 HA THR 116 1.138 11.955 -4.261 884 HB THR 116 HB THR 116 3.491 11.618 -5.132 885 HG1 THR 116 HG1 THR 116 1.588 11.293 -7.211 886 HG21 THR 116 HG21 THR 116 3.878 9.915 -6.848 887 HG22 THR 116 HG22 THR 116 3.541 9.183 -5.267 888 HG23 THR 116 HG23 THR 116 2.283 9.208 -6.525 889 H CYS 117 H CYS 117 -0.580 11.607 -5.810 890 HA CYS 117 HA CYS 117 -1.530 8.822 -5.983 891 HB2 CYS 117 HB2 CYS 117 -2.536 10.875 -4.142 892 HB3 CYS 117 HB3 CYS 117 -3.799 10.224 -5.178 893 H GLN 118 H GLN 118 -3.708 8.732 -6.991 894 HA GLN 118 HA GLN 118 -4.118 10.838 -9.076 895 HB2 GLN 118 HB2 GLN 118 -4.124 7.802 -9.277 896 HB3 GLN 118 HB3 GLN 118 -5.002 8.820 -10.443 897 HG2 GLN 118 HG2 GLN 118 -2.022 9.012 -9.886 898 HG3 GLN 118 HG3 GLN 118 -2.741 8.114 -11.231 899 HE21 GLN 118 HE21 GLN 118 -1.790 11.210 -10.026 900 HE22 GLN 118 HE22 GLN 118 -2.226 12.121 -11.457 901 H ASP 119 H ASP 119 -6.385 11.143 -9.549 902 HA ASP 119 HA ASP 119 -8.071 10.918 -7.238 903 HB2 ASP 119 HB2 ASP 119 -8.707 11.548 -10.149 904 HB3 ASP 119 HB3 ASP 119 -9.852 11.728 -8.810 905 H ALA 120 H ALA 120 -9.796 9.557 -6.830 906 HA ALA 120 HA ALA 120 -10.015 7.138 -8.570 907 HB1 ALA 120 HB1 ALA 120 -10.725 5.940 -6.547 908 HB2 ALA 120 HB2 ALA 120 -9.142 6.699 -6.273 909 HB3 ALA 120 HB3 ALA 120 -10.613 7.436 -5.590 Start of MODEL 6 1 H1 SER 1 H1 SER 1 27.909 3.325 25.130 2 H2 SER 1 H2 SER 1 27.620 4.812 25.696 3 H3 SER 1 H3 SER 1 29.120 4.210 25.733 4 HA SER 1 HA SER 1 27.601 4.860 23.290 5 HB2 SER 1 HB2 SER 1 30.096 6.179 24.428 6 HB3 SER 1 HB3 SER 1 29.170 6.693 22.998 7 HG SER 1 HG SER 1 28.573 7.909 24.830 8 H SER 2 H SER 2 29.116 4.868 21.316 9 HA SER 2 HA SER 2 31.431 3.045 21.570 10 HB2 SER 2 HB2 SER 2 29.456 1.553 21.188 11 HB3 SER 2 HB3 SER 2 29.040 2.496 19.744 12 HG SER 2 HG SER 2 30.282 0.522 19.396 13 HA PRO 3 HA PRO 3 32.502 6.106 18.560 14 HB2 PRO 3 HB2 PRO 3 34.642 5.030 17.265 15 HB3 PRO 3 HB3 PRO 3 34.733 5.531 18.986 16 HG2 PRO 3 HG2 PRO 3 34.229 2.796 17.843 17 HG3 PRO 3 HG3 PRO 3 35.437 3.298 19.068 18 HD2 PRO 3 HD2 PRO 3 33.060 2.216 19.775 19 HD3 PRO 3 HD3 PRO 3 33.811 3.533 20.741 20 H GLY 4 H GLY 4 32.673 6.501 16.186 21 HA2 GLY 4 HA2 GLY 4 30.606 5.056 14.792 22 HA3 GLY 4 HA3 GLY 4 31.617 6.353 14.139 23 H LYS 5 H LYS 5 31.147 4.654 12.304 24 HA LYS 5 HA LYS 5 33.606 2.988 12.034 25 HB2 LYS 5 HB2 LYS 5 30.753 2.097 11.391 26 HB3 LYS 5 HB3 LYS 5 32.210 1.189 10.982 27 HG2 LYS 5 HG2 LYS 5 31.327 1.838 13.820 28 HG3 LYS 5 HG3 LYS 5 30.979 0.318 12.989 29 HD2 LYS 5 HD2 LYS 5 33.322 -0.247 12.842 30 HD3 LYS 5 HD3 LYS 5 33.810 1.350 13.432 31 HE2 LYS 5 HE2 LYS 5 32.167 -0.617 15.063 32 HE3 LYS 5 HE3 LYS 5 33.935 -0.460 15.161 33 HZ1 LYS 5 HZ1 LYS 5 31.950 1.653 15.801 34 HZ2 LYS 5 HZ2 LYS 5 32.956 0.888 16.858 35 HZ3 LYS 5 HZ3 LYS 5 33.569 1.917 15.720 36 HA PRO 6 HA PRO 6 33.431 5.167 8.251 37 HB2 PRO 6 HB2 PRO 6 34.487 3.488 6.353 38 HB3 PRO 6 HB3 PRO 6 35.487 4.261 7.626 39 HG2 PRO 6 HG2 PRO 6 34.269 1.504 7.600 40 HG3 PRO 6 HG3 PRO 6 35.966 1.983 7.931 41 HD2 PRO 6 HD2 PRO 6 34.239 1.515 9.939 42 HD3 PRO 6 HD3 PRO 6 35.422 2.866 10.044 43 HA PRO 7 HA PRO 7 29.618 3.791 6.534 44 HB2 PRO 7 HB2 PRO 7 29.265 5.447 4.406 45 HB3 PRO 7 HB3 PRO 7 29.225 6.056 6.093 46 HG2 PRO 7 HG2 PRO 7 31.519 6.057 4.139 47 HG3 PRO 7 HG3 PRO 7 30.860 7.419 5.100 48 HD2 PRO 7 HD2 PRO 7 33.024 6.004 5.915 49 HD3 PRO 7 HD3 PRO 7 31.811 6.627 7.088 50 H ARG 8 H ARG 8 28.687 2.552 4.884 51 HA ARG 8 HA ARG 8 30.067 2.031 2.364 52 HB2 ARG 8 HB2 ARG 8 30.239 -0.403 2.706 53 HB3 ARG 8 HB3 ARG 8 31.316 0.460 3.806 54 HG2 ARG 8 HG2 ARG 8 30.063 -0.101 5.696 55 HG3 ARG 8 HG3 ARG 8 28.577 -0.366 4.767 56 HD2 ARG 8 HD2 ARG 8 29.459 -2.505 5.497 57 HD3 ARG 8 HD3 ARG 8 29.557 -2.368 3.731 58 HE ARG 8 HE ARG 8 32.006 -1.480 4.920 59 HH11 ARG 8 HH11 ARG 8 30.257 -4.464 4.214 60 HH12 ARG 8 HH12 ARG 8 31.717 -5.413 4.139 61 HH21 ARG 8 HH21 ARG 8 33.828 -2.754 4.800 62 HH22 ARG 8 HH22 ARG 8 33.700 -4.457 4.460 63 H LEU 9 H LEU 9 28.624 0.350 1.161 64 HA LEU 9 HA LEU 9 25.798 0.815 1.965 65 HB2 LEU 9 HB2 LEU 9 27.002 -0.425 -0.548 66 HB3 LEU 9 HB3 LEU 9 25.279 -0.206 -0.256 67 HG LEU 9 HG LEU 9 27.288 2.057 -0.525 68 HD11 LEU 9 HD11 LEU 9 26.987 0.803 -2.626 69 HD12 LEU 9 HD12 LEU 9 25.221 0.986 -2.490 70 HD13 LEU 9 HD13 LEU 9 26.253 2.416 -2.730 71 HD21 LEU 9 HD21 LEU 9 24.241 2.054 -0.346 72 HD22 LEU 9 HD22 LEU 9 25.380 2.735 0.845 73 HD23 LEU 9 HD23 LEU 9 25.237 3.468 -0.763 74 H VAL 10 H VAL 10 24.349 -0.807 2.131 75 HA VAL 10 HA VAL 10 25.498 -3.449 2.815 76 HB VAL 10 HB VAL 10 23.518 -2.203 4.723 77 HG11 VAL 10 HG11 VAL 10 24.287 -4.490 4.924 78 HG12 VAL 10 HG12 VAL 10 25.966 -3.901 5.057 79 HG13 VAL 10 HG13 VAL 10 24.775 -3.511 6.323 80 HG21 VAL 10 HG21 VAL 10 26.480 -1.421 4.768 81 HG22 VAL 10 HG22 VAL 10 25.085 -0.321 4.613 82 HG23 VAL 10 HG23 VAL 10 25.357 -1.196 6.127 83 H GLY 11 H GLY 11 24.021 -5.019 2.135 84 HA2 GLY 11 HA2 GLY 11 21.991 -5.939 1.536 85 HA3 GLY 11 HA3 GLY 11 21.182 -4.472 2.086 86 H GLY 12 H GLY 12 21.609 -2.486 0.541 87 HA2 GLY 12 HA2 GLY 12 21.601 -1.660 -1.664 88 HA3 GLY 12 HA3 GLY 12 21.741 -3.317 -2.294 89 HA PRO 13 HA PRO 13 17.304 -2.063 -2.281 90 HB2 PRO 13 HB2 PRO 13 16.647 -1.941 -4.895 91 HB3 PRO 13 HB3 PRO 13 17.438 -0.561 -4.061 92 HG2 PRO 13 HG2 PRO 13 18.681 -2.692 -5.801 93 HG3 PRO 13 HG3 PRO 13 18.917 -0.918 -5.856 94 HD2 PRO 13 HD2 PRO 13 20.644 -2.651 -4.573 95 HD3 PRO 13 HD3 PRO 13 20.395 -0.946 -4.054 96 H MET 14 H MET 14 15.606 -3.497 -2.379 97 HA MET 14 HA MET 14 15.828 -5.931 -4.039 98 HB2 MET 14 HB2 MET 14 15.435 -7.432 -2.153 99 HB3 MET 14 HB3 MET 14 16.956 -6.568 -1.915 100 HG2 MET 14 HG2 MET 14 15.890 -5.047 -0.314 101 HG3 MET 14 HG3 MET 14 14.321 -5.814 -0.590 102 HE1 MET 14 HE1 MET 14 14.786 -8.963 -0.578 103 HE2 MET 14 HE2 MET 14 14.549 -9.255 1.159 104 HE3 MET 14 HE3 MET 14 13.523 -8.078 0.304 105 H ASP 15 H ASP 15 13.735 -6.819 -4.468 106 HA ASP 15 HA ASP 15 11.446 -5.116 -3.646 107 HB2 ASP 15 HB2 ASP 15 11.738 -7.611 -5.383 108 HB3 ASP 15 HB3 ASP 15 10.159 -6.967 -4.902 109 H ALA 16 H ALA 16 9.801 -6.035 -2.129 110 HA ALA 16 HA ALA 16 10.560 -8.651 -0.875 111 HB1 ALA 16 HB1 ALA 16 9.624 -6.104 0.427 112 HB2 ALA 16 HB2 ALA 16 9.555 -7.695 1.215 113 HB3 ALA 16 HB3 ALA 16 11.129 -7.002 0.743 114 H SER 17 H SER 17 8.714 -9.725 -0.115 115 HA SER 17 HA SER 17 6.557 -9.578 -2.096 116 HB2 SER 17 HB2 SER 17 6.454 -11.282 0.390 117 HB3 SER 17 HB3 SER 17 5.867 -11.648 -1.246 118 HG SER 17 HG SER 17 8.405 -11.883 -0.130 119 H VAL 18 H VAL 18 4.239 -9.305 -1.511 120 HA VAL 18 HA VAL 18 3.909 -7.099 0.311 121 HB VAL 18 HB VAL 18 1.561 -7.145 -0.245 122 HG11 VAL 18 HG11 VAL 18 3.224 -6.420 -1.997 123 HG12 VAL 18 HG12 VAL 18 3.085 -8.037 -2.724 124 HG13 VAL 18 HG13 VAL 18 1.665 -6.970 -2.651 125 HG21 VAL 18 HG21 VAL 18 1.095 -9.556 -0.011 126 HG22 VAL 18 HG22 VAL 18 0.529 -8.956 -1.580 127 HG23 VAL 18 HG23 VAL 18 2.033 -9.897 -1.482 128 H GLU 19 H GLU 19 3.939 -10.485 0.549 129 HA GLU 19 HA GLU 19 2.463 -10.828 2.998 130 HB2 GLU 19 HB2 GLU 19 4.586 -12.412 1.510 131 HB3 GLU 19 HB3 GLU 19 3.820 -12.986 2.997 132 HG2 GLU 19 HG2 GLU 19 2.613 -14.037 1.280 133 HG3 GLU 19 HG3 GLU 19 1.580 -12.701 1.818 134 H GLU 20 H GLU 20 5.848 -9.948 2.202 135 HA GLU 20 HA GLU 20 6.876 -10.531 4.695 136 HB2 GLU 20 HB2 GLU 20 7.832 -8.679 2.614 137 HB3 GLU 20 HB3 GLU 20 8.401 -8.383 4.273 138 HG2 GLU 20 HG2 GLU 20 9.880 -9.803 3.540 139 HG3 GLU 20 HG3 GLU 20 8.689 -10.805 4.416 140 H GLU 21 H GLU 21 7.353 -9.879 6.505 141 HA GLU 21 HA GLU 21 5.435 -8.234 7.458 142 HB2 GLU 21 HB2 GLU 21 7.949 -9.163 8.772 143 HB3 GLU 21 HB3 GLU 21 6.740 -8.188 9.626 144 HG2 GLU 21 HG2 GLU 21 5.026 -9.936 8.976 145 HG3 GLU 21 HG3 GLU 21 6.387 -10.956 8.470 146 H GLY 22 H GLY 22 8.636 -7.583 6.429 147 HA2 GLY 22 HA2 GLY 22 8.839 -4.910 7.452 148 HA3 GLY 22 HA3 GLY 22 9.776 -5.595 6.109 149 H VAL 23 H VAL 23 7.099 -6.304 4.711 150 HA VAL 23 HA VAL 23 6.707 -3.639 3.511 151 HB VAL 23 HB VAL 23 5.625 -6.412 2.793 152 HG11 VAL 23 HG11 VAL 23 4.947 -5.319 0.641 153 HG12 VAL 23 HG12 VAL 23 3.979 -4.922 2.057 154 HG13 VAL 23 HG13 VAL 23 5.178 -3.749 1.456 155 HG21 VAL 23 HG21 VAL 23 7.070 -6.140 0.802 156 HG22 VAL 23 HG22 VAL 23 7.679 -4.619 1.485 157 HG23 VAL 23 HG23 VAL 23 7.977 -6.169 2.320 158 H ARG 24 H ARG 24 4.753 -6.209 5.122 159 HA ARG 24 HA ARG 24 2.247 -4.996 4.889 160 HB2 ARG 24 HB2 ARG 24 3.272 -6.494 7.329 161 HB3 ARG 24 HB3 ARG 24 1.583 -6.289 6.854 162 HG2 ARG 24 HG2 ARG 24 3.105 -7.491 4.686 163 HG3 ARG 24 HG3 ARG 24 3.360 -8.396 6.177 164 HD2 ARG 24 HD2 ARG 24 0.662 -7.712 4.994 165 HD3 ARG 24 HD3 ARG 24 1.515 -9.258 4.794 166 HE ARG 24 HE ARG 24 1.328 -8.728 7.562 167 HH11 ARG 24 HH11 ARG 24 -0.829 -9.520 4.891 168 HH12 ARG 24 HH12 ARG 24 -1.996 -10.289 5.933 169 HH21 ARG 24 HH21 ARG 24 -0.193 -9.733 8.835 170 HH22 ARG 24 HH22 ARG 24 -1.637 -10.405 8.131 171 H ARG 25 H ARG 25 4.644 -4.457 7.515 172 HA ARG 25 HA ARG 25 2.992 -2.615 8.944 173 HB2 ARG 25 HB2 ARG 25 4.996 -1.894 10.061 174 HB3 ARG 25 HB3 ARG 25 4.994 -3.653 9.899 175 HG2 ARG 25 HG2 ARG 25 7.160 -3.355 9.262 176 HG3 ARG 25 HG3 ARG 25 6.458 -3.003 7.673 177 HD2 ARG 25 HD2 ARG 25 8.121 -1.302 8.272 178 HD3 ARG 25 HD3 ARG 25 6.520 -0.571 8.194 179 HE ARG 25 HE ARG 25 8.008 -1.209 10.703 180 HH11 ARG 25 HH11 ARG 25 5.492 0.698 9.081 181 HH12 ARG 25 HH12 ARG 25 5.290 1.742 10.457 182 HH21 ARG 25 HH21 ARG 25 7.644 0.154 12.416 183 HH22 ARG 25 HH22 ARG 25 6.470 1.434 12.300 184 H ALA 26 H ALA 26 4.900 -2.130 6.072 185 HA ALA 26 HA ALA 26 5.014 0.758 6.361 186 HB1 ALA 26 HB1 ALA 26 6.879 -0.681 5.369 187 HB2 ALA 26 HB2 ALA 26 5.800 -0.980 3.984 188 HB3 ALA 26 HB3 ALA 26 6.337 0.669 4.359 189 H LEU 27 H LEU 27 3.230 -1.813 4.727 190 HA LEU 27 HA LEU 27 1.798 -0.163 2.860 191 HB2 LEU 27 HB2 LEU 27 0.860 -2.711 4.258 192 HB3 LEU 27 HB3 LEU 27 0.110 -1.958 2.869 193 HG LEU 27 HG LEU 27 2.637 -3.577 3.000 194 HD11 LEU 27 HD11 LEU 27 0.178 -3.648 1.216 195 HD12 LEU 27 HD12 LEU 27 1.528 -4.806 1.202 196 HD13 LEU 27 HD13 LEU 27 0.476 -4.691 2.626 197 HD21 LEU 27 HD21 LEU 27 3.354 -1.681 1.763 198 HD22 LEU 27 HD22 LEU 27 2.973 -2.943 0.587 199 HD23 LEU 27 HD23 LEU 27 1.832 -1.602 0.845 200 H ASP 28 H ASP 28 0.916 -1.479 6.091 201 HA ASP 28 HA ASP 28 -1.595 -0.068 6.117 202 HB2 ASP 28 HB2 ASP 28 0.084 -1.345 8.313 203 HB3 ASP 28 HB3 ASP 28 -1.515 -0.633 8.593 204 H PHE 29 H PHE 29 1.664 0.667 7.310 205 HA PHE 29 HA PHE 29 0.991 3.044 8.746 206 HB2 PHE 29 HB2 PHE 29 3.199 1.963 8.868 207 HB3 PHE 29 HB3 PHE 29 3.477 2.303 7.159 208 HD1 PHE 29 HD1 PHE 29 3.511 3.662 10.562 209 HD2 PHE 29 HD2 PHE 29 3.842 4.678 6.396 210 HE1 PHE 29 HE1 PHE 29 4.525 5.856 11.176 211 HE2 PHE 29 HE2 PHE 29 4.850 6.868 7.000 212 HZ PHE 29 HZ PHE 29 5.195 7.461 9.391 213 H ALA 30 H ALA 30 1.936 2.456 5.293 214 HA ALA 30 HA ALA 30 1.838 5.201 4.543 215 HB1 ALA 30 HB1 ALA 30 1.049 2.803 2.849 216 HB2 ALA 30 HB2 ALA 30 1.535 4.403 2.247 217 HB3 ALA 30 HB3 ALA 30 2.715 3.385 3.110 218 H VAL 31 H VAL 31 -0.906 2.875 4.505 219 HA VAL 31 HA VAL 31 -2.755 4.695 3.186 220 HB VAL 31 HB VAL 31 -3.853 2.755 5.144 221 HG11 VAL 31 HG11 VAL 31 -5.222 2.025 3.363 222 HG12 VAL 31 HG12 VAL 31 -5.266 3.776 3.593 223 HG13 VAL 31 HG13 VAL 31 -4.332 3.082 2.238 224 HG21 VAL 31 HG21 VAL 31 -2.055 1.784 3.070 225 HG22 VAL 31 HG22 VAL 31 -2.001 1.673 4.861 226 HG23 VAL 31 HG23 VAL 31 -3.265 0.802 3.952 227 H GLY 32 H GLY 32 -1.888 3.652 6.455 228 HA2 GLY 32 HA2 GLY 32 -4.093 4.840 7.784 229 HA3 GLY 32 HA3 GLY 32 -2.535 4.416 8.519 230 H GLU 33 H GLU 33 -0.980 5.929 6.638 231 HA GLU 33 HA GLU 33 -1.281 8.500 8.142 232 HB2 GLU 33 HB2 GLU 33 0.857 7.309 7.971 233 HB3 GLU 33 HB3 GLU 33 0.894 7.625 6.235 234 HG2 GLU 33 HG2 GLU 33 1.438 9.809 6.511 235 HG3 GLU 33 HG3 GLU 33 0.533 9.957 8.025 236 H TYR 34 H TYR 34 -1.765 7.245 4.983 237 HA TYR 34 HA TYR 34 -1.891 9.907 3.912 238 HB2 TYR 34 HB2 TYR 34 -0.821 8.144 2.590 239 HB3 TYR 34 HB3 TYR 34 -2.384 7.333 2.423 240 HD1 TYR 34 HD1 TYR 34 -0.647 10.603 1.747 241 HD2 TYR 34 HD2 TYR 34 -3.845 7.948 0.630 242 HE1 TYR 34 HE1 TYR 34 -1.143 12.026 -0.246 243 HE2 TYR 34 HE2 TYR 34 -4.343 9.385 -1.342 244 HH TYR 34 HH TYR 34 -3.780 11.266 -2.517 245 H ASN 35 H ASN 35 -4.026 7.181 3.876 246 HA ASN 35 HA ASN 35 -6.290 8.742 2.892 247 HB2 ASN 35 HB2 ASN 35 -5.638 5.843 3.430 248 HB3 ASN 35 HB3 ASN 35 -7.331 6.333 3.213 249 HD21 ASN 35 HD21 ASN 35 -4.933 4.947 1.619 250 HD22 ASN 35 HD22 ASN 35 -5.233 5.543 0.005 251 H LYS 36 H LYS 36 -5.593 6.697 5.729 252 HA LYS 36 HA LYS 36 -8.111 7.330 7.035 253 HB2 LYS 36 HB2 LYS 36 -6.970 5.254 7.513 254 HB3 LYS 36 HB3 LYS 36 -5.492 6.123 7.893 255 HG2 LYS 36 HG2 LYS 36 -7.782 6.793 9.629 256 HG3 LYS 36 HG3 LYS 36 -7.154 5.141 9.776 257 HD2 LYS 36 HD2 LYS 36 -5.029 5.838 10.448 258 HD3 LYS 36 HD3 LYS 36 -5.183 7.419 9.685 259 HE2 LYS 36 HE2 LYS 36 -6.915 6.664 12.054 260 HE3 LYS 36 HE3 LYS 36 -5.276 7.316 12.271 261 HZ1 LYS 36 HZ1 LYS 36 -5.899 9.306 11.159 262 HZ2 LYS 36 HZ2 LYS 36 -7.346 8.705 10.654 263 HZ3 LYS 36 HZ3 LYS 36 -7.093 9.022 12.259 264 H ALA 37 H ALA 37 -4.869 8.729 6.981 265 HA ALA 37 HA ALA 37 -5.239 10.290 9.377 266 HB1 ALA 37 HB1 ALA 37 -3.058 9.676 8.266 267 HB2 ALA 37 HB2 ALA 37 -3.453 10.957 7.087 268 HB3 ALA 37 HB3 ALA 37 -3.256 11.366 8.803 269 H SER 38 H SER 38 -5.901 10.607 5.912 270 HA SER 38 HA SER 38 -6.824 13.374 6.085 271 HB2 SER 38 HB2 SER 38 -6.098 12.320 3.950 272 HB3 SER 38 HB3 SER 38 -7.482 11.211 4.046 273 HG SER 38 HG SER 38 -7.944 13.012 2.738 274 H ASN 39 H ASN 39 -9.041 14.061 6.065 275 HA ASN 39 HA ASN 39 -10.768 12.328 7.711 276 HB2 ASN 39 HB2 ASN 39 -10.357 14.830 8.054 277 HB3 ASN 39 HB3 ASN 39 -11.385 15.076 6.635 278 HD21 ASN 39 HD21 ASN 39 -13.342 15.700 7.262 279 HD22 ASN 39 HD22 ASN 39 -14.230 15.050 8.616 280 H ASP 40 H ASP 40 -10.577 11.026 5.447 281 HA ASP 40 HA ASP 40 -12.440 11.867 3.406 282 HB2 ASP 40 HB2 ASP 40 -10.459 10.179 3.269 283 HB3 ASP 40 HB3 ASP 40 -11.647 8.992 3.827 284 H MET 41 H MET 41 -14.557 11.655 3.295 285 HA MET 41 HA MET 41 -16.086 10.659 5.539 286 HB2 MET 41 HB2 MET 41 -16.951 11.461 2.734 287 HB3 MET 41 HB3 MET 41 -18.034 11.218 4.111 288 HG2 MET 41 HG2 MET 41 -15.847 13.321 3.954 289 HG3 MET 41 HG3 MET 41 -17.572 13.609 3.665 290 HE1 MET 41 HE1 MET 41 -17.250 15.591 5.515 291 HE2 MET 41 HE2 MET 41 -16.741 15.278 7.190 292 HE3 MET 41 HE3 MET 41 -15.579 15.077 5.858 293 H TYR 42 H TYR 42 -14.767 9.201 2.720 294 HA TYR 42 HA TYR 42 -16.661 6.882 2.949 295 HB2 TYR 42 HB2 TYR 42 -14.954 7.862 0.651 296 HB3 TYR 42 HB3 TYR 42 -15.898 6.367 0.632 297 HD1 TYR 42 HD1 TYR 42 -16.032 10.048 0.414 298 HD2 TYR 42 HD2 TYR 42 -18.379 6.441 0.545 299 HE1 TYR 42 HE1 TYR 42 -18.037 11.316 -0.373 300 HE2 TYR 42 HE2 TYR 42 -20.376 7.718 -0.241 301 HH TYR 42 HH TYR 42 -20.260 11.218 -0.906 302 H HIS 43 H HIS 43 -15.559 4.763 2.433 303 HA HIS 43 HA HIS 43 -13.111 4.640 4.060 304 HB2 HIS 43 HB2 HIS 43 -14.828 2.560 2.665 305 HB3 HIS 43 HB3 HIS 43 -13.318 2.158 3.491 306 HD1 HIS 43 HD1 HIS 43 -15.375 4.770 5.191 307 HD2 HIS 43 HD2 HIS 43 -14.884 0.644 5.305 308 HE1 HIS 43 HE1 HIS 43 -16.472 3.975 7.317 309 H SER 44 H SER 44 -11.262 5.172 3.152 310 HA SER 44 HA SER 44 -10.758 4.391 0.308 311 HB2 SER 44 HB2 SER 44 -9.510 6.599 2.000 312 HB3 SER 44 HB3 SER 44 -9.111 6.234 0.304 313 HG SER 44 HG SER 44 -10.776 7.958 0.843 314 H ARG 45 H ARG 45 -9.029 3.064 -0.084 315 HA ARG 45 HA ARG 45 -7.081 2.569 2.089 316 HB2 ARG 45 HB2 ARG 45 -9.367 0.972 1.840 317 HB3 ARG 45 HB3 ARG 45 -8.148 0.059 0.962 318 HG2 ARG 45 HG2 ARG 45 -7.542 1.096 3.746 319 HG3 ARG 45 HG3 ARG 45 -8.569 -0.326 3.549 320 HD2 ARG 45 HD2 ARG 45 -5.676 -0.030 2.688 321 HD3 ARG 45 HD3 ARG 45 -6.292 -1.027 4.003 322 HE ARG 45 HE ARG 45 -6.314 -1.615 1.122 323 HH11 ARG 45 HH11 ARG 45 -7.600 -2.613 4.270 324 HH12 ARG 45 HH12 ARG 45 -8.008 -4.202 3.680 325 HH21 ARG 45 HH21 ARG 45 -6.837 -3.620 0.468 326 HH22 ARG 45 HH22 ARG 45 -7.585 -4.762 1.555 327 H ALA 46 H ALA 46 -5.338 1.194 1.350 328 HA ALA 46 HA ALA 46 -4.603 1.459 -1.456 329 HB1 ALA 46 HB1 ALA 46 -3.513 -0.093 0.987 330 HB2 ALA 46 HB2 ALA 46 -2.788 -0.251 -0.647 331 HB3 ALA 46 HB3 ALA 46 -2.768 1.317 0.190 332 H LEU 47 H LEU 47 -6.123 0.443 -2.769 333 HA LEU 47 HA LEU 47 -7.602 -1.876 -2.013 334 HB2 LEU 47 HB2 LEU 47 -6.913 -0.527 -4.586 335 HB3 LEU 47 HB3 LEU 47 -7.520 -2.155 -4.675 336 HG LEU 47 HG LEU 47 -9.071 -0.038 -4.974 337 HD11 LEU 47 HD11 LEU 47 -9.792 -2.635 -3.505 338 HD12 LEU 47 HD12 LEU 47 -10.884 -1.683 -4.540 339 HD13 LEU 47 HD13 LEU 47 -9.461 -2.511 -5.246 340 HD21 LEU 47 HD21 LEU 47 -9.472 -0.666 -2.018 341 HD22 LEU 47 HD22 LEU 47 -8.797 0.857 -2.649 342 HD23 LEU 47 HD23 LEU 47 -10.470 0.397 -3.031 343 H GLN 48 H GLN 48 -4.621 -1.517 -3.888 344 HA GLN 48 HA GLN 48 -3.944 -4.292 -3.323 345 HB2 GLN 48 HB2 GLN 48 -5.658 -4.296 -5.211 346 HB3 GLN 48 HB3 GLN 48 -4.515 -3.342 -6.167 347 HG2 GLN 48 HG2 GLN 48 -4.403 -5.751 -6.734 348 HG3 GLN 48 HG3 GLN 48 -2.860 -5.141 -6.115 349 HE21 GLN 48 HE21 GLN 48 -5.660 -7.147 -5.414 350 HE22 GLN 48 HE22 GLN 48 -4.944 -7.981 -4.057 351 H VAL 49 H VAL 49 -1.768 -4.524 -3.378 352 HA VAL 49 HA VAL 49 -0.216 -2.132 -4.019 353 HB VAL 49 HB VAL 49 0.388 -4.661 -2.518 354 HG11 VAL 49 HG11 VAL 49 2.199 -4.707 -4.173 355 HG12 VAL 49 HG12 VAL 49 2.545 -2.986 -3.863 356 HG13 VAL 49 HG13 VAL 49 2.828 -4.199 -2.598 357 HG21 VAL 49 HG21 VAL 49 1.469 -3.058 -0.977 358 HG22 VAL 49 HG22 VAL 49 1.246 -1.702 -2.124 359 HG23 VAL 49 HG23 VAL 49 -0.163 -2.499 -1.359 360 H VAL 50 H VAL 50 0.897 -1.752 -5.755 361 HA VAL 50 HA VAL 50 0.774 -3.714 -7.954 362 HB VAL 50 HB VAL 50 1.992 -0.901 -7.906 363 HG11 VAL 50 HG11 VAL 50 1.044 -2.635 -10.236 364 HG12 VAL 50 HG12 VAL 50 1.738 -1.000 -10.355 365 HG13 VAL 50 HG13 VAL 50 2.740 -2.352 -9.793 366 HG21 VAL 50 HG21 VAL 50 -0.826 -1.791 -8.660 367 HG22 VAL 50 HG22 VAL 50 -0.369 -0.705 -7.327 368 HG23 VAL 50 HG23 VAL 50 -0.146 -0.183 -9.006 369 H ARG 51 H ARG 51 3.156 -1.918 -5.945 370 HA ARG 51 HA ARG 51 5.127 -4.113 -6.354 371 HB2 ARG 51 HB2 ARG 51 5.820 -1.201 -6.875 372 HB3 ARG 51 HB3 ARG 51 6.959 -2.535 -6.849 373 HG2 ARG 51 HG2 ARG 51 4.738 -2.138 -8.887 374 HG3 ARG 51 HG3 ARG 51 6.437 -1.767 -9.150 375 HD2 ARG 51 HD2 ARG 51 5.602 -4.592 -8.415 376 HD3 ARG 51 HD3 ARG 51 5.403 -4.007 -10.061 377 HE ARG 51 HE ARG 51 7.714 -3.970 -10.375 378 HH11 ARG 51 HH11 ARG 51 7.001 -4.964 -7.070 379 HH12 ARG 51 HH12 ARG 51 8.653 -5.462 -6.770 380 HH21 ARG 51 HH21 ARG 51 9.769 -4.720 -9.943 381 HH22 ARG 51 HH22 ARG 51 10.176 -5.346 -8.359 382 H ALA 52 H ALA 52 6.732 -4.180 -4.691 383 HA ALA 52 HA ALA 52 6.516 -2.237 -2.489 384 HB1 ALA 52 HB1 ALA 52 5.979 -5.235 -2.223 385 HB2 ALA 52 HB2 ALA 52 6.319 -4.145 -0.861 386 HB3 ALA 52 HB3 ALA 52 4.854 -3.906 -1.836 387 H ARG 53 H ARG 53 8.589 -1.724 -2.091 388 HA ARG 53 HA ARG 53 10.631 -3.848 -2.170 389 HB2 ARG 53 HB2 ARG 53 12.024 -2.730 -3.810 390 HB3 ARG 53 HB3 ARG 53 10.477 -3.202 -4.487 391 HG2 ARG 53 HG2 ARG 53 10.638 -0.532 -3.426 392 HG3 ARG 53 HG3 ARG 53 11.605 -0.859 -4.861 393 HD2 ARG 53 HD2 ARG 53 8.702 -1.607 -4.661 394 HD3 ARG 53 HD3 ARG 53 9.238 -0.002 -5.190 395 HE ARG 53 HE ARG 53 10.310 -2.450 -6.525 396 HH11 ARG 53 HH11 ARG 53 8.284 0.473 -6.821 397 HH12 ARG 53 HH12 ARG 53 8.334 0.416 -8.556 398 HH21 ARG 53 HH21 ARG 53 10.296 -2.431 -8.720 399 HH22 ARG 53 HH22 ARG 53 9.427 -1.206 -9.614 400 H LYS 54 H LYS 54 12.818 -2.964 -1.760 401 HA LYS 54 HA LYS 54 12.628 -0.588 -0.002 402 HB2 LYS 54 HB2 LYS 54 13.840 -3.322 0.669 403 HB3 LYS 54 HB3 LYS 54 14.084 -1.869 1.643 404 HG2 LYS 54 HG2 LYS 54 12.312 -2.436 2.805 405 HG3 LYS 54 HG3 LYS 54 11.322 -2.033 1.402 406 HD2 LYS 54 HD2 LYS 54 11.421 -4.430 0.624 407 HD3 LYS 54 HD3 LYS 54 12.400 -4.828 2.055 408 HE2 LYS 54 HE2 LYS 54 9.616 -3.645 2.041 409 HE3 LYS 54 HE3 LYS 54 10.043 -5.320 2.421 410 HZ1 LYS 54 HZ1 LYS 54 9.704 -3.893 4.384 411 HZ2 LYS 54 HZ2 LYS 54 11.206 -4.587 4.345 412 HZ3 LYS 54 HZ3 LYS 54 11.016 -2.995 3.953 413 H GLN 55 H GLN 55 14.643 0.393 0.423 414 HA GLN 55 HA GLN 55 16.904 -0.380 -1.383 415 HB2 GLN 55 HB2 GLN 55 15.727 1.670 -2.178 416 HB3 GLN 55 HB3 GLN 55 15.900 2.373 -0.570 417 HG2 GLN 55 HG2 GLN 55 18.386 2.280 -0.842 418 HG3 GLN 55 HG3 GLN 55 18.146 1.691 -2.495 419 HE21 GLN 55 HE21 GLN 55 18.400 3.250 -3.955 420 HE22 GLN 55 HE22 GLN 55 17.940 4.922 -3.745 421 H ILE 56 H ILE 56 18.347 -1.268 0.068 422 HA ILE 56 HA ILE 56 18.398 -0.126 2.813 423 HB ILE 56 HB ILE 56 19.627 -2.700 1.815 424 HG12 ILE 56 HG12 ILE 56 16.950 -2.059 3.116 425 HG13 ILE 56 HG13 ILE 56 17.211 -2.774 1.522 426 HG21 ILE 56 HG21 ILE 56 19.022 -1.718 4.671 427 HG22 ILE 56 HG22 ILE 56 19.842 -3.233 4.221 428 HG23 ILE 56 HG23 ILE 56 20.637 -1.685 3.927 429 HD11 ILE 56 HD11 ILE 56 16.508 -4.496 2.932 430 HD12 ILE 56 HD12 ILE 56 18.253 -4.735 2.686 431 HD13 ILE 56 HD13 ILE 56 17.651 -4.024 4.206 432 H GLY 57 H GLY 57 20.253 0.873 3.616 433 HA2 GLY 57 HA2 GLY 57 22.858 0.603 2.549 434 HA3 GLY 57 HA3 GLY 57 22.092 2.029 1.801 435 H ALA 58 H ALA 58 23.537 3.464 2.957 436 HA ALA 58 HA ALA 58 23.751 3.464 5.821 437 HB1 ALA 58 HB1 ALA 58 24.665 5.746 5.514 438 HB2 ALA 58 HB2 ALA 58 25.382 4.611 4.347 439 HB3 ALA 58 HB3 ALA 58 24.114 5.750 3.822 440 H GLY 59 H GLY 59 21.362 4.594 3.571 441 HA2 GLY 59 HA2 GLY 59 19.653 5.485 5.847 442 HA3 GLY 59 HA3 GLY 59 19.671 6.359 4.274 443 H VAL 60 H VAL 60 17.349 4.785 5.328 444 HA VAL 60 HA VAL 60 17.381 2.604 3.276 445 HB VAL 60 HB VAL 60 16.101 2.554 6.048 446 HG11 VAL 60 HG11 VAL 60 15.483 0.200 5.493 447 HG12 VAL 60 HG12 VAL 60 14.672 1.369 4.434 448 HG13 VAL 60 HG13 VAL 60 16.074 0.452 3.833 449 HG21 VAL 60 HG21 VAL 60 17.666 0.662 6.474 450 HG22 VAL 60 HG22 VAL 60 18.420 0.952 4.890 451 HG23 VAL 60 HG23 VAL 60 18.523 2.183 6.166 452 H ASN 61 H ASN 61 15.717 2.662 1.843 453 HA ASN 61 HA ASN 61 13.403 4.455 2.545 454 HB2 ASN 61 HB2 ASN 61 14.956 4.194 -0.028 455 HB3 ASN 61 HB3 ASN 61 13.257 4.672 -0.041 456 HD21 ASN 61 HD21 ASN 61 16.342 5.812 -0.014 457 HD22 ASN 61 HD22 ASN 61 16.023 7.402 0.656 458 H TYR 62 H TYR 62 11.517 3.531 2.522 459 HA TYR 62 HA TYR 62 11.197 0.842 1.236 460 HB2 TYR 62 HB2 TYR 62 9.400 2.510 3.052 461 HB3 TYR 62 HB3 TYR 62 8.940 0.954 2.373 462 HD1 TYR 62 HD1 TYR 62 11.806 2.397 4.429 463 HD2 TYR 62 HD2 TYR 62 9.076 -0.883 3.810 464 HE1 TYR 62 HE1 TYR 62 12.738 1.229 6.419 465 HE2 TYR 62 HE2 TYR 62 10.004 -2.006 5.845 466 HH TYR 62 HH TYR 62 11.493 -1.891 7.577 467 H PHE 63 H PHE 63 10.048 0.740 -0.724 468 HA PHE 63 HA PHE 63 8.562 3.235 -1.529 469 HB2 PHE 63 HB2 PHE 63 10.133 1.321 -3.271 470 HB3 PHE 63 HB3 PHE 63 9.088 2.594 -3.876 471 HD1 PHE 63 HD1 PHE 63 12.319 1.806 -2.275 472 HD2 PHE 63 HD2 PHE 63 9.771 4.936 -3.766 473 HE1 PHE 63 HE1 PHE 63 14.248 3.378 -2.270 474 HE2 PHE 63 HE2 PHE 63 11.700 6.511 -3.766 475 HZ PHE 63 HZ PHE 63 13.941 5.739 -2.999 476 H LEU 64 H LEU 64 6.456 2.831 -1.625 477 HA LEU 64 HA LEU 64 5.574 0.034 -2.282 478 HB2 LEU 64 HB2 LEU 64 4.209 2.082 -0.499 479 HB3 LEU 64 HB3 LEU 64 3.579 0.507 -0.922 480 HG LEU 64 HG LEU 64 4.185 0.193 1.219 481 HD11 LEU 64 HD11 LEU 64 6.852 -0.523 -0.045 482 HD12 LEU 64 HD12 LEU 64 6.101 -1.239 1.397 483 HD13 LEU 64 HD13 LEU 64 5.374 -1.499 -0.202 484 HD21 LEU 64 HD21 LEU 64 6.668 1.901 0.780 485 HD22 LEU 64 HD22 LEU 64 5.177 2.379 1.623 486 HD23 LEU 64 HD23 LEU 64 6.219 1.121 2.302 487 H ASP 65 H ASP 65 4.198 -0.087 -3.953 488 HA ASP 65 HA ASP 65 2.878 2.465 -4.842 489 HB2 ASP 65 HB2 ASP 65 3.959 0.165 -6.574 490 HB3 ASP 65 HB3 ASP 65 3.095 1.587 -7.175 491 H VAL 66 H VAL 66 1.041 2.474 -5.248 492 HA VAL 66 HA VAL 66 -0.612 0.172 -4.819 493 HB VAL 66 HB VAL 66 0.260 1.646 -2.570 494 HG11 VAL 66 HG11 VAL 66 -2.735 1.579 -3.006 495 HG12 VAL 66 HG12 VAL 66 -1.831 2.169 -1.578 496 HG13 VAL 66 HG13 VAL 66 -1.722 3.049 -3.101 497 HG21 VAL 66 HG21 VAL 66 -1.875 -0.390 -2.871 498 HG22 VAL 66 HG22 VAL 66 -0.134 -0.641 -2.944 499 HG23 VAL 66 HG23 VAL 66 -0.818 -0.022 -1.461 500 H GLU 67 H GLU 67 -2.562 0.034 -5.222 501 HA GLU 67 HA GLU 67 -3.636 2.116 -7.006 502 HB2 GLU 67 HB2 GLU 67 -3.600 -0.385 -7.489 503 HB3 GLU 67 HB3 GLU 67 -4.774 -0.573 -6.182 504 HG2 GLU 67 HG2 GLU 67 -6.247 1.049 -7.433 505 HG3 GLU 67 HG3 GLU 67 -5.105 0.920 -8.782 506 H LEU 68 H LEU 68 -5.366 3.371 -6.518 507 HA LEU 68 HA LEU 68 -6.636 2.978 -3.839 508 HB2 LEU 68 HB2 LEU 68 -5.683 5.433 -5.241 509 HB3 LEU 68 HB3 LEU 68 -7.178 5.548 -4.298 510 HG LEU 68 HG LEU 68 -5.963 4.733 -2.289 511 HD11 LEU 68 HD11 LEU 68 -3.579 4.881 -4.113 512 HD12 LEU 68 HD12 LEU 68 -3.447 5.010 -2.344 513 HD13 LEU 68 HD13 LEU 68 -4.126 3.550 -3.085 514 HD21 LEU 68 HD21 LEU 68 -4.737 6.889 -1.930 515 HD22 LEU 68 HD22 LEU 68 -4.975 7.257 -3.652 516 HD23 LEU 68 HD23 LEU 68 -6.377 7.079 -2.577 517 H GLY 69 H GLY 69 -8.695 3.368 -3.503 518 HA2 GLY 69 HA2 GLY 69 -10.549 4.246 -5.510 519 HA3 GLY 69 HA3 GLY 69 -10.599 2.463 -5.288 520 H ARG 70 H ARG 70 -12.825 3.820 -4.423 521 HA ARG 70 HA ARG 70 -12.485 3.857 -1.439 522 HB2 ARG 70 HB2 ARG 70 -14.375 5.475 -3.202 523 HB3 ARG 70 HB3 ARG 70 -14.478 5.369 -1.436 524 HG2 ARG 70 HG2 ARG 70 -12.171 6.266 -1.295 525 HG3 ARG 70 HG3 ARG 70 -12.183 6.526 -3.044 526 HD2 ARG 70 HD2 ARG 70 -13.993 8.108 -2.861 527 HD3 ARG 70 HD3 ARG 70 -14.253 7.675 -1.166 528 HE ARG 70 HE ARG 70 -12.417 8.950 -0.498 529 HH11 ARG 70 HH11 ARG 70 -12.554 8.928 -4.043 530 HH12 ARG 70 HH12 ARG 70 -11.361 10.192 -4.174 531 HH21 ARG 70 HH21 ARG 70 -10.932 10.498 -0.744 532 HH22 ARG 70 HH22 ARG 70 -10.467 11.089 -2.331 533 H THR 71 H THR 71 -13.963 2.612 -0.318 534 HA THR 71 HA THR 71 -15.438 0.751 -2.107 535 HB THR 71 HB THR 71 -15.474 -0.774 -0.128 536 HG1 THR 71 HG1 THR 71 -15.292 0.648 1.578 537 HG21 THR 71 HG21 THR 71 -13.625 -0.866 -1.807 538 HG22 THR 71 HG22 THR 71 -12.685 0.254 -0.787 539 HG23 THR 71 HG23 THR 71 -13.113 -1.358 -0.177 540 H THR 72 H THR 72 -17.490 0.147 -1.831 541 HA THR 72 HA THR 72 -19.267 2.057 -0.411 542 HB THR 72 HB THR 72 -21.075 0.731 -1.513 543 HG1 THR 72 HG1 THR 72 -19.161 -0.755 -2.953 544 HG21 THR 72 HG21 THR 72 -19.918 2.551 -2.807 545 HG22 THR 72 HG22 THR 72 -18.834 1.316 -3.498 546 HG23 THR 72 HG23 THR 72 -20.577 1.257 -3.832 547 H CYS 73 H CYS 73 -17.400 -0.471 0.366 548 HA CYS 73 HA CYS 73 -19.331 -1.887 2.101 549 HB2 CYS 73 HB2 CYS 73 -16.407 -2.526 1.675 550 HB3 CYS 73 HB3 CYS 73 -17.717 -3.626 2.150 551 H THR 74 H THR 74 -19.167 -1.809 4.298 552 HA THR 74 HA THR 74 -16.994 -0.180 5.477 553 HB THR 74 HB THR 74 -18.494 1.143 6.713 554 HG1 THR 74 HG1 THR 74 -20.751 0.563 6.816 555 HG21 THR 74 HG21 THR 74 -18.688 1.642 4.239 556 HG22 THR 74 HG22 THR 74 -20.218 0.709 4.285 557 HG23 THR 74 HG23 THR 74 -20.030 2.169 5.278 558 H LYS 75 H LYS 75 -17.182 -0.277 7.868 559 HA LYS 75 HA LYS 75 -17.034 -2.925 8.842 560 HB2 LYS 75 HB2 LYS 75 -16.959 -1.743 11.065 561 HB3 LYS 75 HB3 LYS 75 -15.874 -1.029 9.858 562 HG2 LYS 75 HG2 LYS 75 -17.601 0.748 9.363 563 HG3 LYS 75 HG3 LYS 75 -18.635 0.057 10.631 564 HD2 LYS 75 HD2 LYS 75 -16.849 0.470 12.299 565 HD3 LYS 75 HD3 LYS 75 -15.850 1.201 11.025 566 HE2 LYS 75 HE2 LYS 75 -17.626 2.896 10.626 567 HE3 LYS 75 HE3 LYS 75 -18.587 2.181 11.938 568 HZ1 LYS 75 HZ1 LYS 75 -16.787 2.734 13.469 569 HZ2 LYS 75 HZ2 LYS 75 -15.896 3.397 12.249 570 HZ3 LYS 75 HZ3 LYS 75 -17.320 4.095 12.703 571 H THR 76 H THR 76 -19.773 -0.870 8.531 572 HA THR 76 HA THR 76 -21.399 -2.520 10.372 573 HB THR 76 HB THR 76 -22.921 -0.721 9.284 574 HG1 THR 76 HG1 THR 76 -21.933 1.149 8.841 575 HG21 THR 76 HG21 THR 76 -22.459 0.782 11.257 576 HG22 THR 76 HG22 THR 76 -22.565 -0.926 11.735 577 HG23 THR 76 HG23 THR 76 -20.973 -0.149 11.554 578 H GLN 77 H GLN 77 -20.893 -1.985 7.164 579 HA GLN 77 HA GLN 77 -23.405 -2.386 5.963 580 HB2 GLN 77 HB2 GLN 77 -20.615 -2.928 4.999 581 HB3 GLN 77 HB3 GLN 77 -21.975 -3.500 4.036 582 HG2 GLN 77 HG2 GLN 77 -21.804 -0.636 4.958 583 HG3 GLN 77 HG3 GLN 77 -20.996 -1.187 3.487 584 HE21 GLN 77 HE21 GLN 77 -22.094 -1.096 1.639 585 HE22 GLN 77 HE22 GLN 77 -23.835 -0.948 1.525 586 HA PRO 78 HA PRO 78 -24.618 -6.382 6.902 587 HB2 PRO 78 HB2 PRO 78 -26.268 -7.042 4.839 588 HB3 PRO 78 HB3 PRO 78 -26.622 -5.689 5.966 589 HG2 PRO 78 HG2 PRO 78 -25.311 -5.575 3.245 590 HG3 PRO 78 HG3 PRO 78 -26.708 -4.629 3.859 591 HD2 PRO 78 HD2 PRO 78 -24.180 -3.613 3.901 592 HD3 PRO 78 HD3 PRO 78 -25.339 -3.290 5.232 593 H ASN 79 H ASN 79 -22.779 -6.237 3.900 594 HA ASN 79 HA ASN 79 -22.430 -9.205 4.068 595 HB2 ASN 79 HB2 ASN 79 -22.969 -7.563 1.563 596 HB3 ASN 79 HB3 ASN 79 -22.440 -9.250 1.570 597 HD21 ASN 79 HD21 ASN 79 -25.070 -7.359 1.223 598 HD22 ASN 79 HD22 ASN 79 -26.297 -8.483 1.756 599 H LEU 80 H LEU 80 -20.375 -8.535 5.179 600 HA LEU 80 HA LEU 80 -18.454 -6.988 3.726 601 HB2 LEU 80 HB2 LEU 80 -18.374 -8.628 6.203 602 HB3 LEU 80 HB3 LEU 80 -16.848 -8.282 5.394 603 HG LEU 80 HG LEU 80 -17.584 -5.825 5.375 604 HD11 LEU 80 HD11 LEU 80 -19.915 -6.101 6.056 605 HD12 LEU 80 HD12 LEU 80 -19.412 -6.894 7.565 606 HD13 LEU 80 HD13 LEU 80 -19.035 -5.181 7.285 607 HD21 LEU 80 HD21 LEU 80 -15.748 -6.727 6.697 608 HD22 LEU 80 HD22 LEU 80 -16.648 -5.514 7.635 609 HD23 LEU 80 HD23 LEU 80 -16.884 -7.246 7.970 610 H ASP 81 H ASP 81 -19.269 -10.330 3.222 611 HA ASP 81 HA ASP 81 -16.593 -10.849 2.080 612 HB2 ASP 81 HB2 ASP 81 -19.078 -12.539 1.739 613 HB3 ASP 81 HB3 ASP 81 -17.385 -13.056 1.692 614 H ASN 82 H ASN 82 -19.894 -10.279 1.026 615 HA ASN 82 HA ASN 82 -19.268 -10.715 -1.793 616 HB2 ASN 82 HB2 ASN 82 -21.403 -11.451 -0.815 617 HB3 ASN 82 HB3 ASN 82 -21.801 -9.780 -0.401 618 HD21 ASN 82 HD21 ASN 82 -21.334 -12.041 -3.045 619 HD22 ASN 82 HD22 ASN 82 -22.194 -11.088 -4.233 620 H CYS 83 H CYS 83 -19.865 -7.888 0.298 621 HA CYS 83 HA CYS 83 -20.192 -6.074 -1.871 622 HB2 CYS 83 HB2 CYS 83 -20.820 -5.548 0.433 623 HB3 CYS 83 HB3 CYS 83 -19.124 -5.534 0.915 624 HA PRO 84 HA PRO 84 -15.578 -5.098 -1.894 625 HB2 PRO 84 HB2 PRO 84 -13.742 -6.743 -0.721 626 HB3 PRO 84 HB3 PRO 84 -14.508 -5.359 0.125 627 HG2 PRO 84 HG2 PRO 84 -15.219 -8.257 0.228 628 HG3 PRO 84 HG3 PRO 84 -14.995 -7.087 1.574 629 HD2 PRO 84 HD2 PRO 84 -17.430 -7.742 0.643 630 HD3 PRO 84 HD3 PRO 84 -17.043 -6.079 1.200 631 H PHE 85 H PHE 85 -16.639 -8.520 -1.969 632 HA PHE 85 HA PHE 85 -14.832 -9.428 -3.987 633 HB2 PHE 85 HB2 PHE 85 -16.381 -10.922 -2.770 634 HB3 PHE 85 HB3 PHE 85 -17.753 -10.122 -3.541 635 HD1 PHE 85 HD1 PHE 85 -14.784 -12.269 -4.210 636 HD2 PHE 85 HD2 PHE 85 -18.507 -10.711 -5.705 637 HE1 PHE 85 HE1 PHE 85 -14.660 -13.839 -6.143 638 HE2 PHE 85 HE2 PHE 85 -18.404 -12.284 -7.629 639 HZ PHE 85 HZ PHE 85 -16.468 -13.842 -7.864 640 H HIS 86 H HIS 86 -18.014 -7.765 -4.194 641 HA HIS 86 HA HIS 86 -17.774 -7.634 -7.127 642 HB2 HIS 86 HB2 HIS 86 -19.803 -6.608 -5.132 643 HB3 HIS 86 HB3 HIS 86 -19.869 -6.211 -6.853 644 HD1 HIS 86 HD1 HIS 86 -19.985 -8.406 -8.520 645 HD2 HIS 86 HD2 HIS 86 -21.015 -8.958 -4.532 646 HE1 HIS 86 HE1 HIS 86 -21.270 -10.576 -8.399 647 H ASP 87 H ASP 87 -17.135 -5.456 -4.407 648 HA ASP 87 HA ASP 87 -17.239 -3.032 -5.906 649 HB2 ASP 87 HB2 ASP 87 -16.421 -3.841 -3.266 650 HB3 ASP 87 HB3 ASP 87 -15.152 -2.836 -3.954 651 H GLN 88 H GLN 88 -14.488 -5.254 -5.223 652 HA GLN 88 HA GLN 88 -12.476 -3.697 -6.386 653 HB2 GLN 88 HB2 GLN 88 -12.899 -6.614 -6.006 654 HB3 GLN 88 HB3 GLN 88 -11.603 -6.122 -7.107 655 HG2 GLN 88 HG2 GLN 88 -10.511 -4.914 -5.456 656 HG3 GLN 88 HG3 GLN 88 -11.893 -4.997 -4.349 657 HE21 GLN 88 HE21 GLN 88 -12.576 -7.269 -3.726 658 HE22 GLN 88 HE22 GLN 88 -11.276 -8.396 -3.395 659 HA PRO 89 HA PRO 89 -13.131 -5.305 -10.678 660 HB2 PRO 89 HB2 PRO 89 -15.584 -6.422 -11.401 661 HB3 PRO 89 HB3 PRO 89 -14.131 -7.386 -10.953 662 HG2 PRO 89 HG2 PRO 89 -16.484 -6.589 -9.252 663 HG3 PRO 89 HG3 PRO 89 -15.685 -8.182 -9.379 664 HD2 PRO 89 HD2 PRO 89 -15.167 -6.520 -7.377 665 HD3 PRO 89 HD3 PRO 89 -13.879 -7.515 -8.123 666 H HIS 90 H HIS 90 -15.968 -4.097 -8.893 667 HA HIS 90 HA HIS 90 -17.052 -2.653 -11.163 668 HB2 HIS 90 HB2 HIS 90 -17.554 -2.539 -8.198 669 HB3 HIS 90 HB3 HIS 90 -18.402 -1.517 -9.366 670 HD1 HIS 90 HD1 HIS 90 -20.225 -3.310 -7.840 671 HD2 HIS 90 HD2 HIS 90 -18.259 -4.604 -11.266 672 HE1 HIS 90 HE1 HIS 90 -21.544 -5.267 -8.739 673 H LEU 91 H LEU 91 -14.618 -1.860 -8.683 674 HA LEU 91 HA LEU 91 -14.819 0.970 -8.956 675 HB2 LEU 91 HB2 LEU 91 -12.619 -0.861 -8.136 676 HB3 LEU 91 HB3 LEU 91 -12.207 0.777 -8.557 677 HG LEU 91 HG LEU 91 -12.224 0.441 -6.179 678 HD11 LEU 91 HD11 LEU 91 -14.449 2.284 -7.177 679 HD12 LEU 91 HD12 LEU 91 -13.542 2.455 -5.668 680 HD13 LEU 91 HD13 LEU 91 -12.703 2.637 -7.223 681 HD21 LEU 91 HD21 LEU 91 -15.193 -0.126 -6.447 682 HD22 LEU 91 HD22 LEU 91 -13.931 -1.152 -5.727 683 HD23 LEU 91 HD23 LEU 91 -14.391 0.364 -4.937 684 H LYS 92 H LYS 92 -14.944 1.957 -10.791 685 HA LYS 92 HA LYS 92 -12.847 1.544 -12.886 686 HB2 LYS 92 HB2 LYS 92 -15.486 2.982 -12.701 687 HB3 LYS 92 HB3 LYS 92 -14.234 3.751 -13.672 688 HG2 LYS 92 HG2 LYS 92 -15.450 2.497 -15.221 689 HG3 LYS 92 HG3 LYS 92 -14.001 1.526 -14.927 690 HD2 LYS 92 HD2 LYS 92 -16.350 0.940 -13.184 691 HD3 LYS 92 HD3 LYS 92 -16.540 0.549 -14.901 692 HE2 LYS 92 HE2 LYS 92 -14.504 -0.839 -14.842 693 HE3 LYS 92 HE3 LYS 92 -14.257 -0.416 -13.132 694 HZ1 LYS 92 HZ1 LYS 92 -15.354 -2.494 -13.216 695 HZ2 LYS 92 HZ2 LYS 92 -16.462 -1.388 -12.701 696 HZ3 LYS 92 HZ3 LYS 92 -16.519 -1.942 -14.257 697 H ARG 93 H ARG 93 -11.899 3.842 -13.547 698 HA ARG 93 HA ARG 93 -10.460 5.530 -12.952 699 HB2 ARG 93 HB2 ARG 93 -12.508 6.064 -10.772 700 HB3 ARG 93 HB3 ARG 93 -11.235 7.166 -11.318 701 HG2 ARG 93 HG2 ARG 93 -12.226 6.965 -13.626 702 HG3 ARG 93 HG3 ARG 93 -13.617 6.175 -12.874 703 HD2 ARG 93 HD2 ARG 93 -14.040 8.132 -11.485 704 HD3 ARG 93 HD3 ARG 93 -12.556 8.907 -12.054 705 HE ARG 93 HE ARG 93 -15.108 8.694 -13.484 706 HH11 ARG 93 HH11 ARG 93 -11.668 9.533 -13.761 707 HH12 ARG 93 HH12 ARG 93 -11.950 10.491 -15.194 708 HH21 ARG 93 HH21 ARG 93 -15.350 9.931 -15.313 709 HH22 ARG 93 HH22 ARG 93 -13.974 10.699 -16.053 710 H LYS 94 H LYS 94 -9.525 3.235 -12.226 711 HA LYS 94 HA LYS 94 -8.766 3.100 -9.404 712 HB2 LYS 94 HB2 LYS 94 -7.641 1.758 -11.908 713 HB3 LYS 94 HB3 LYS 94 -7.039 1.456 -10.282 714 HG2 LYS 94 HG2 LYS 94 -9.853 0.836 -11.251 715 HG3 LYS 94 HG3 LYS 94 -8.523 -0.321 -11.074 716 HD2 LYS 94 HD2 LYS 94 -8.497 0.719 -8.586 717 HD3 LYS 94 HD3 LYS 94 -10.195 0.986 -8.981 718 HE2 LYS 94 HE2 LYS 94 -8.661 -1.644 -8.945 719 HE3 LYS 94 HE3 LYS 94 -9.995 -1.169 -7.887 720 HZ1 LYS 94 HZ1 LYS 94 -11.336 -1.109 -10.042 721 HZ2 LYS 94 HZ2 LYS 94 -10.091 -1.957 -10.713 722 HZ3 LYS 94 HZ3 LYS 94 -10.931 -2.595 -9.441 723 H ALA 95 H ALA 95 -7.540 4.729 -8.615 724 HA ALA 95 HA ALA 95 -5.558 6.052 -10.362 725 HB1 ALA 95 HB1 ALA 95 -6.314 6.431 -7.443 726 HB2 ALA 95 HB2 ALA 95 -5.072 7.375 -8.314 727 HB3 ALA 95 HB3 ALA 95 -6.780 7.465 -8.820 728 H PHE 96 H PHE 96 -3.293 6.020 -9.875 729 HA PHE 96 HA PHE 96 -2.517 3.848 -8.008 730 HB2 PHE 96 HB2 PHE 96 -0.626 3.278 -9.455 731 HB3 PHE 96 HB3 PHE 96 -2.174 3.011 -10.260 732 HD1 PHE 96 HD1 PHE 96 -2.969 4.664 -12.023 733 HD2 PHE 96 HD2 PHE 96 1.006 4.773 -10.370 734 HE1 PHE 96 HE1 PHE 96 -2.211 6.045 -13.952 735 HE2 PHE 96 HE2 PHE 96 1.778 6.136 -12.307 736 HZ PHE 96 HZ PHE 96 0.169 6.776 -14.104 737 H CYS 97 H CYS 97 -1.324 4.477 -6.491 738 HA CYS 97 HA CYS 97 -0.007 7.144 -6.532 739 HB2 CYS 97 HB2 CYS 97 -1.112 5.471 -4.250 740 HB3 CYS 97 HB3 CYS 97 -0.366 7.076 -4.092 741 H SER 98 H SER 98 1.879 7.404 -5.201 742 HA SER 98 HA SER 98 3.422 4.887 -4.725 743 HB2 SER 98 HB2 SER 98 4.466 7.487 -5.911 744 HB3 SER 98 HB3 SER 98 5.472 6.124 -5.396 745 HG SER 98 HG SER 98 4.507 4.837 -6.966 746 H PHE 99 H PHE 99 4.202 4.744 -2.777 747 HA PHE 99 HA PHE 99 4.368 7.234 -1.118 748 HB2 PHE 99 HB2 PHE 99 3.554 4.441 -0.242 749 HB3 PHE 99 HB3 PHE 99 3.703 5.861 0.803 750 HD1 PHE 99 HD1 PHE 99 2.239 7.924 0.172 751 HD2 PHE 99 HD2 PHE 99 1.473 3.934 -1.230 752 HE1 PHE 99 HE1 PHE 99 -0.100 8.569 -0.362 753 HE2 PHE 99 HE2 PHE 99 -0.884 4.568 -1.739 754 HZ PHE 99 HZ PHE 99 -1.674 6.893 -1.311 755 H GLN 100 H GLN 100 6.243 7.584 -0.147 756 HA GLN 100 HA GLN 100 8.247 5.347 -0.146 757 HB2 GLN 100 HB2 GLN 100 8.763 6.993 -1.920 758 HB3 GLN 100 HB3 GLN 100 8.702 8.277 -0.715 759 HG2 GLN 100 HG2 GLN 100 10.615 7.193 0.484 760 HG3 GLN 100 HG3 GLN 100 10.742 6.051 -0.860 761 HE21 GLN 100 HE21 GLN 100 12.696 7.998 0.104 762 HE22 GLN 100 HE22 GLN 100 13.004 9.083 -1.235 763 H ILE 101 H ILE 101 8.728 4.840 1.885 764 HA ILE 101 HA ILE 101 8.518 6.998 3.954 765 HB ILE 101 HB ILE 101 8.599 3.970 4.323 766 HG12 ILE 101 HG12 ILE 101 6.235 5.781 4.868 767 HG13 ILE 101 HG13 ILE 101 6.469 5.031 3.289 768 HG21 ILE 101 HG21 ILE 101 8.028 4.500 6.701 769 HG22 ILE 101 HG22 ILE 101 9.594 5.183 6.229 770 HG23 ILE 101 HG23 ILE 101 8.163 6.235 6.335 771 HD11 ILE 101 HD11 ILE 101 4.937 3.691 4.584 772 HD12 ILE 101 HD12 ILE 101 6.452 2.797 4.351 773 HD13 ILE 101 HD13 ILE 101 6.104 3.564 5.918 774 H TYR 102 H TYR 102 10.429 7.869 4.526 775 HA TYR 102 HA TYR 102 12.906 6.361 3.886 776 HB2 TYR 102 HB2 TYR 102 12.961 8.713 3.303 777 HB3 TYR 102 HB3 TYR 102 12.370 9.167 4.910 778 HD1 TYR 102 HD1 TYR 102 13.939 9.944 6.451 779 HD2 TYR 102 HD2 TYR 102 15.226 7.178 3.418 780 HE1 TYR 102 HE1 TYR 102 16.274 10.088 7.299 781 HE2 TYR 102 HE2 TYR 102 17.556 7.322 4.285 782 HH TYR 102 HH TYR 102 18.961 8.256 5.840 783 H ALA 103 H ALA 103 13.850 5.164 5.426 784 HA ALA 103 HA ALA 103 12.905 5.517 8.204 785 HB1 ALA 103 HB1 ALA 103 13.773 3.320 8.573 786 HB2 ALA 103 HB2 ALA 103 12.571 3.326 7.251 787 HB3 ALA 103 HB3 ALA 103 14.311 3.242 6.874 788 H VAL 104 H VAL 104 14.310 6.109 9.716 789 HA VAL 104 HA VAL 104 16.877 7.145 8.582 790 HB VAL 104 HB VAL 104 16.004 7.698 11.402 791 HG11 VAL 104 HG11 VAL 104 16.563 9.875 10.979 792 HG12 VAL 104 HG12 VAL 104 17.834 8.775 10.401 793 HG13 VAL 104 HG13 VAL 104 16.707 9.537 9.245 794 HG21 VAL 104 HG21 VAL 104 13.912 7.572 10.589 795 HG22 VAL 104 HG22 VAL 104 14.268 9.295 10.751 796 HG23 VAL 104 HG23 VAL 104 14.274 8.539 9.134 797 HA PRO 105 HA PRO 105 17.084 3.524 10.770 798 HB2 PRO 105 HB2 PRO 105 19.531 2.316 10.239 799 HB3 PRO 105 HB3 PRO 105 18.198 2.380 9.038 800 HG2 PRO 105 HG2 PRO 105 20.558 4.243 9.332 801 HG3 PRO 105 HG3 PRO 105 19.970 3.398 7.863 802 HD2 PRO 105 HD2 PRO 105 19.292 5.981 8.414 803 HD3 PRO 105 HD3 PRO 105 18.148 4.847 7.618 804 H TRP 106 H TRP 106 19.469 5.957 11.128 805 HA TRP 106 HA TRP 106 21.071 4.937 13.216 806 HB2 TRP 106 HB2 TRP 106 21.346 6.987 11.682 807 HB3 TRP 106 HB3 TRP 106 20.336 7.844 12.845 808 HD1 TRP 106 HD1 TRP 106 21.431 8.261 15.301 809 HE1 TRP 106 HE1 TRP 106 23.818 8.310 16.170 810 HE3 TRP 106 HE3 TRP 106 23.653 5.889 11.355 811 HZ2 TRP 106 HZ2 TRP 106 26.386 7.432 15.277 812 HZ3 TRP 106 HZ3 TRP 106 26.130 5.509 11.423 813 HH2 TRP 106 HH2 TRP 106 27.473 6.283 13.378 814 H GLN 107 H GLN 107 17.862 6.427 13.330 815 HA GLN 107 HA GLN 107 18.009 6.347 16.322 816 HB2 GLN 107 HB2 GLN 107 16.246 7.915 14.425 817 HB3 GLN 107 HB3 GLN 107 15.949 7.801 16.155 818 HG2 GLN 107 HG2 GLN 107 17.050 9.838 15.920 819 HG3 GLN 107 HG3 GLN 107 18.317 8.739 16.477 820 HE21 GLN 107 HE21 GLN 107 19.866 10.213 15.645 821 HE22 GLN 107 HE22 GLN 107 20.205 10.284 13.932 822 H GLY 108 H GLY 108 16.953 4.505 13.724 823 HA2 GLY 108 HA2 GLY 108 15.574 2.645 13.699 824 HA3 GLY 108 HA3 GLY 108 15.267 2.883 15.431 825 H THR 109 H THR 109 14.777 5.584 13.406 826 HA THR 109 HA THR 109 11.836 5.421 13.803 827 HB THR 109 HB THR 109 12.137 7.906 13.025 828 HG1 THR 109 HG1 THR 109 14.218 8.687 13.447 829 HG21 THR 109 HG21 THR 109 13.307 6.997 15.695 830 HG22 THR 109 HG22 THR 109 12.704 8.630 15.319 831 HG23 THR 109 HG23 THR 109 11.577 7.257 15.366 832 H MET 110 H MET 110 10.522 6.384 11.988 833 HA MET 110 HA MET 110 11.983 6.637 9.456 834 HB2 MET 110 HB2 MET 110 10.418 5.132 8.239 835 HB3 MET 110 HB3 MET 110 11.312 4.248 9.465 836 HG2 MET 110 HG2 MET 110 9.339 4.311 10.955 837 HG3 MET 110 HG3 MET 110 8.428 5.157 9.691 838 HE1 MET 110 HE1 MET 110 10.098 1.801 10.872 839 HE2 MET 110 HE2 MET 110 9.891 0.725 9.469 840 HE3 MET 110 HE3 MET 110 11.059 2.060 9.398 841 H THR 111 H THR 111 10.608 7.767 7.838 842 HA THR 111 HA THR 111 8.148 9.080 8.896 843 HB THR 111 HB THR 111 10.598 10.511 7.772 844 HG1 THR 111 HG1 THR 111 9.602 10.081 10.358 845 HG21 THR 111 HG21 THR 111 9.339 12.564 8.448 846 HG22 THR 111 HG22 THR 111 8.624 11.679 7.085 847 HG23 THR 111 HG23 THR 111 7.910 11.543 8.714 848 H LEU 112 H LEU 112 6.659 9.541 7.182 849 HA LEU 112 HA LEU 112 7.172 8.413 4.609 850 HB2 LEU 112 HB2 LEU 112 4.946 8.828 5.736 851 HB3 LEU 112 HB3 LEU 112 5.146 10.540 5.406 852 HG LEU 112 HG LEU 112 5.116 10.017 2.953 853 HD11 LEU 112 HD11 LEU 112 4.483 7.238 4.011 854 HD12 LEU 112 HD12 LEU 112 4.279 7.756 2.314 855 HD13 LEU 112 HD13 LEU 112 5.895 7.711 3.044 856 HD21 LEU 112 HD21 LEU 112 2.680 9.481 2.909 857 HD22 LEU 112 HD22 LEU 112 2.761 9.044 4.630 858 HD23 LEU 112 HD23 LEU 112 3.078 10.717 4.120 859 H SER 113 H SER 113 8.532 9.175 3.165 860 HA SER 113 HA SER 113 9.439 11.984 3.275 861 HB2 SER 113 HB2 SER 113 11.085 10.156 3.106 862 HB3 SER 113 HB3 SER 113 10.327 9.602 1.600 863 HG SER 113 HG SER 113 10.788 12.116 1.187 864 H LYS 114 H LYS 114 7.448 9.854 1.300 865 HA LYS 114 HA LYS 114 6.647 12.196 -0.293 866 HB2 LYS 114 HB2 LYS 114 7.940 11.705 -2.055 867 HB3 LYS 114 HB3 LYS 114 8.478 10.198 -1.342 868 HG2 LYS 114 HG2 LYS 114 6.358 9.098 -2.226 869 HG3 LYS 114 HG3 LYS 114 6.012 10.605 -3.089 870 HD2 LYS 114 HD2 LYS 114 8.524 8.928 -3.420 871 HD3 LYS 114 HD3 LYS 114 7.106 8.840 -4.476 872 HE2 LYS 114 HE2 LYS 114 7.408 11.241 -5.053 873 HE3 LYS 114 HE3 LYS 114 8.870 11.282 -4.038 874 HZ1 LYS 114 HZ1 LYS 114 9.413 10.886 -6.357 875 HZ2 LYS 114 HZ2 LYS 114 9.830 9.575 -5.445 876 HZ3 LYS 114 HZ3 LYS 114 8.479 9.527 -6.393 877 H SER 115 H SER 115 4.609 12.104 -0.938 878 HA SER 115 HA SER 115 3.182 9.520 -1.060 879 HB2 SER 115 HB2 SER 115 1.296 11.290 -0.030 880 HB3 SER 115 HB3 SER 115 2.099 10.003 0.895 881 HG SER 115 HG SER 115 2.309 12.071 1.892 882 H THR 116 H THR 116 2.578 9.548 -3.155 883 HA THR 116 HA THR 116 1.507 12.121 -4.218 884 HB THR 116 HB THR 116 3.940 11.874 -4.949 885 HG1 THR 116 HG1 THR 116 2.562 13.071 -6.232 886 HG21 THR 116 HG21 THR 116 4.447 10.250 -6.702 887 HG22 THR 116 HG22 THR 116 4.004 9.433 -5.188 888 HG23 THR 116 HG23 THR 116 2.835 9.526 -6.527 889 H CYS 117 H CYS 117 0.044 11.755 -6.016 890 HA CYS 117 HA CYS 117 -0.897 8.970 -6.315 891 HB2 CYS 117 HB2 CYS 117 -2.307 11.203 -4.911 892 HB3 CYS 117 HB3 CYS 117 -3.270 10.153 -5.955 893 H GLN 118 H GLN 118 -2.891 9.038 -7.818 894 HA GLN 118 HA GLN 118 -2.354 10.988 -10.021 895 HB2 GLN 118 HB2 GLN 118 -2.747 7.971 -10.023 896 HB3 GLN 118 HB3 GLN 118 -2.946 8.963 -11.496 897 HG2 GLN 118 HG2 GLN 118 -0.445 8.892 -9.815 898 HG3 GLN 118 HG3 GLN 118 -0.731 7.857 -11.206 899 HE21 GLN 118 HE21 GLN 118 -0.033 11.108 -10.120 900 HE22 GLN 118 HE22 GLN 118 0.372 11.742 -11.701 901 H ASP 119 H ASP 119 -4.089 11.563 -11.314 902 HA ASP 119 HA ASP 119 -6.789 11.110 -10.197 903 HB2 ASP 119 HB2 ASP 119 -5.690 12.728 -12.524 904 HB3 ASP 119 HB3 ASP 119 -7.424 12.534 -12.221 905 H ALA 120 H ALA 120 -8.416 9.988 -11.508 906 HA ALA 120 HA ALA 120 -7.508 8.550 -13.900 907 HB1 ALA 120 HB1 ALA 120 -8.313 7.081 -11.348 908 HB2 ALA 120 HB2 ALA 120 -8.067 6.328 -12.943 909 HB3 ALA 120 HB3 ALA 120 -6.697 7.073 -12.095 Start of MODEL 7 1 H1 SER 1 H1 SER 1 -0.597 -14.004 8.062 2 H2 SER 1 H2 SER 1 -0.735 -15.146 6.925 3 H3 SER 1 H3 SER 1 0.282 -13.908 6.707 4 HA SER 1 HA SER 1 0.560 -16.006 8.759 5 HB2 SER 1 HB2 SER 1 2.366 -15.450 6.380 6 HB3 SER 1 HB3 SER 1 2.396 -16.856 7.468 7 HG SER 1 HG SER 1 0.689 -16.243 5.340 8 H SER 2 H SER 2 3.324 -15.880 8.994 9 HA SER 2 HA SER 2 4.069 -13.059 9.473 10 HB2 SER 2 HB2 SER 2 2.967 -14.320 11.570 11 HB3 SER 2 HB3 SER 2 4.610 -14.963 11.729 12 HG SER 2 HG SER 2 5.305 -12.683 11.582 13 HA PRO 3 HA PRO 3 7.220 -15.876 7.646 14 HB2 PRO 3 HB2 PRO 3 8.336 -14.129 5.894 15 HB3 PRO 3 HB3 PRO 3 6.775 -14.958 5.560 16 HG2 PRO 3 HG2 PRO 3 7.268 -12.219 6.667 17 HG3 PRO 3 HG3 PRO 3 6.216 -12.716 5.305 18 HD2 PRO 3 HD2 PRO 3 5.228 -12.289 7.771 19 HD3 PRO 3 HD3 PRO 3 4.599 -13.611 6.725 20 H GLY 4 H GLY 4 7.586 -13.023 9.537 21 HA2 GLY 4 HA2 GLY 4 9.434 -12.873 11.021 22 HA3 GLY 4 HA3 GLY 4 10.442 -13.730 9.852 23 H LYS 5 H LYS 5 11.600 -11.730 10.921 24 HA LYS 5 HA LYS 5 11.878 -9.743 8.766 25 HB2 LYS 5 HB2 LYS 5 11.747 -7.860 10.509 26 HB3 LYS 5 HB3 LYS 5 10.230 -8.588 9.988 27 HG2 LYS 5 HG2 LYS 5 10.189 -9.996 12.034 28 HG3 LYS 5 HG3 LYS 5 11.670 -9.206 12.595 29 HD2 LYS 5 HD2 LYS 5 10.515 -7.032 12.609 30 HD3 LYS 5 HD3 LYS 5 9.044 -7.796 11.976 31 HE2 LYS 5 HE2 LYS 5 10.351 -8.410 14.663 32 HE3 LYS 5 HE3 LYS 5 8.893 -7.431 14.413 33 HZ1 LYS 5 HZ1 LYS 5 7.945 -9.507 13.319 34 HZ2 LYS 5 HZ2 LYS 5 9.201 -10.337 13.982 35 HZ3 LYS 5 HZ3 LYS 5 8.126 -9.565 14.965 36 HA PRO 6 HA PRO 6 15.591 -10.925 11.325 37 HB2 PRO 6 HB2 PRO 6 17.165 -12.194 9.490 38 HB3 PRO 6 HB3 PRO 6 15.869 -13.044 10.395 39 HG2 PRO 6 HG2 PRO 6 15.765 -11.841 7.633 40 HG3 PRO 6 HG3 PRO 6 15.297 -13.490 8.161 41 HD2 PRO 6 HD2 PRO 6 13.464 -11.519 7.873 42 HD3 PRO 6 HD3 PRO 6 13.337 -12.723 9.201 43 HA PRO 7 HA PRO 7 17.729 -7.435 9.548 44 HB2 PRO 7 HB2 PRO 7 19.893 -7.239 11.159 45 HB3 PRO 7 HB3 PRO 7 18.241 -6.955 11.800 46 HG2 PRO 7 HG2 PRO 7 19.916 -9.457 11.916 47 HG3 PRO 7 HG3 PRO 7 19.069 -8.607 13.249 48 HD2 PRO 7 HD2 PRO 7 17.999 -10.760 11.945 49 HD3 PRO 7 HD3 PRO 7 16.984 -9.427 12.600 50 H ARG 8 H ARG 8 19.884 -6.855 8.540 51 HA ARG 8 HA ARG 8 21.732 -9.072 8.005 52 HB2 ARG 8 HB2 ARG 8 19.719 -9.031 6.260 53 HB3 ARG 8 HB3 ARG 8 20.579 -7.632 5.610 54 HG2 ARG 8 HG2 ARG 8 21.325 -9.421 4.309 55 HG3 ARG 8 HG3 ARG 8 22.634 -9.178 5.473 56 HD2 ARG 8 HD2 ARG 8 21.741 -11.017 6.865 57 HD3 ARG 8 HD3 ARG 8 20.420 -11.255 5.710 58 HE ARG 8 HE ARG 8 23.231 -12.052 5.408 59 HH11 ARG 8 HH11 ARG 8 20.148 -11.624 3.728 60 HH12 ARG 8 HH12 ARG 8 20.621 -12.664 2.412 61 HH21 ARG 8 HH21 ARG 8 23.754 -13.364 3.693 62 HH22 ARG 8 HH22 ARG 8 22.623 -13.621 2.393 63 H LEU 9 H LEU 9 23.744 -8.245 7.271 64 HA LEU 9 HA LEU 9 24.004 -5.284 7.250 65 HB2 LEU 9 HB2 LEU 9 26.097 -7.369 7.892 66 HB3 LEU 9 HB3 LEU 9 26.338 -5.624 7.940 67 HG LEU 9 HG LEU 9 24.513 -7.178 9.810 68 HD11 LEU 9 HD11 LEU 9 26.894 -7.713 10.147 69 HD12 LEU 9 HD12 LEU 9 27.275 -5.979 10.267 70 HD13 LEU 9 HD13 LEU 9 26.253 -6.756 11.499 71 HD21 LEU 9 HD21 LEU 9 25.406 -4.261 9.822 72 HD22 LEU 9 HD22 LEU 9 23.753 -4.863 9.544 73 HD23 LEU 9 HD23 LEU 9 24.513 -5.065 11.133 74 H VAL 10 H VAL 10 22.996 -6.766 5.205 75 HA VAL 10 HA VAL 10 24.887 -5.563 3.339 76 HB VAL 10 HB VAL 10 23.867 -8.239 2.521 77 HG11 VAL 10 HG11 VAL 10 26.318 -6.619 2.350 78 HG12 VAL 10 HG12 VAL 10 26.053 -8.151 1.441 79 HG13 VAL 10 HG13 VAL 10 25.004 -6.741 1.140 80 HG21 VAL 10 HG21 VAL 10 24.731 -8.921 4.739 81 HG22 VAL 10 HG22 VAL 10 25.781 -9.519 3.442 82 HG23 VAL 10 HG23 VAL 10 26.283 -8.110 4.399 83 H GLY 11 H GLY 11 23.585 -5.098 1.329 84 HA2 GLY 11 HA2 GLY 11 20.913 -6.070 1.103 85 HA3 GLY 11 HA3 GLY 11 20.908 -4.481 1.875 86 H GLY 12 H GLY 12 19.548 -4.502 -0.295 87 HA2 GLY 12 HA2 GLY 12 20.771 -2.615 -2.017 88 HA3 GLY 12 HA3 GLY 12 20.768 -4.225 -2.812 89 HA PRO 13 HA PRO 13 16.440 -2.550 -2.555 90 HB2 PRO 13 HB2 PRO 13 15.712 -2.092 -5.126 91 HB3 PRO 13 HB3 PRO 13 16.577 -0.861 -4.149 92 HG2 PRO 13 HG2 PRO 13 17.697 -2.806 -6.169 93 HG3 PRO 13 HG3 PRO 13 18.004 -1.048 -6.010 94 HD2 PRO 13 HD2 PRO 13 19.696 -2.964 -5.005 95 HD3 PRO 13 HD3 PRO 13 19.484 -1.353 -4.232 96 H MET 14 H MET 14 14.767 -3.988 -2.550 97 HA MET 14 HA MET 14 14.705 -6.161 -4.561 98 HB2 MET 14 HB2 MET 14 14.611 -7.922 -2.868 99 HB3 MET 14 HB3 MET 14 16.134 -7.036 -2.724 100 HG2 MET 14 HG2 MET 14 15.166 -5.736 -0.825 101 HG3 MET 14 HG3 MET 14 13.694 -6.716 -0.941 102 HE1 MET 14 HE1 MET 14 13.612 -7.803 1.382 103 HE2 MET 14 HE2 MET 14 15.064 -8.313 2.274 104 HE3 MET 14 HE3 MET 14 14.862 -6.607 1.810 105 H ASP 15 H ASP 15 12.622 -7.053 -4.808 106 HA ASP 15 HA ASP 15 10.434 -5.531 -3.545 107 HB2 ASP 15 HB2 ASP 15 10.631 -7.540 -5.785 108 HB3 ASP 15 HB3 ASP 15 9.099 -7.371 -4.915 109 H ALA 16 H ALA 16 9.101 -6.403 -1.970 110 HA ALA 16 HA ALA 16 9.749 -9.193 -1.000 111 HB1 ALA 16 HB1 ALA 16 9.034 -6.778 0.671 112 HB2 ALA 16 HB2 ALA 16 9.196 -8.432 1.273 113 HB3 ALA 16 HB3 ALA 16 10.615 -7.589 0.612 114 H SER 17 H SER 17 7.952 -10.265 -0.007 115 HA SER 17 HA SER 17 5.566 -9.977 -1.637 116 HB2 SER 17 HB2 SER 17 5.770 -11.607 0.907 117 HB3 SER 17 HB3 SER 17 4.817 -11.949 -0.550 118 HG SER 17 HG SER 17 7.535 -12.333 -0.013 119 H VAL 18 H VAL 18 3.370 -9.602 -0.800 120 HA VAL 18 HA VAL 18 3.257 -7.348 0.962 121 HB VAL 18 HB VAL 18 0.814 -7.552 0.804 122 HG11 VAL 18 HG11 VAL 18 0.584 -7.352 -1.603 123 HG12 VAL 18 HG12 VAL 18 2.133 -6.632 -1.110 124 HG13 VAL 18 HG13 VAL 18 2.101 -8.243 -1.866 125 HG21 VAL 18 HG21 VAL 18 1.324 -10.250 -0.558 126 HG22 VAL 18 HG22 VAL 18 0.558 -10.002 1.030 127 HG23 VAL 18 HG23 VAL 18 -0.247 -9.428 -0.440 128 H GLU 19 H GLU 19 3.343 -10.722 1.511 129 HA GLU 19 HA GLU 19 2.135 -10.728 4.141 130 HB2 GLU 19 HB2 GLU 19 3.679 -12.579 2.386 131 HB3 GLU 19 HB3 GLU 19 3.673 -12.930 4.127 132 HG2 GLU 19 HG2 GLU 19 1.073 -12.371 2.734 133 HG3 GLU 19 HG3 GLU 19 1.850 -13.944 2.508 134 H GLU 20 H GLU 20 5.372 -10.039 2.836 135 HA GLU 20 HA GLU 20 6.727 -10.520 5.207 136 HB2 GLU 20 HB2 GLU 20 7.429 -8.911 2.862 137 HB3 GLU 20 HB3 GLU 20 8.267 -8.530 4.377 138 HG2 GLU 20 HG2 GLU 20 9.528 -10.120 3.501 139 HG3 GLU 20 HG3 GLU 20 8.470 -10.920 4.706 140 H GLU 21 H GLU 21 7.530 -9.709 6.849 141 HA GLU 21 HA GLU 21 5.703 -7.978 7.861 142 HB2 GLU 21 HB2 GLU 21 8.271 -8.910 9.058 143 HB3 GLU 21 HB3 GLU 21 7.075 -7.964 9.962 144 HG2 GLU 21 HG2 GLU 21 5.366 -9.705 9.519 145 HG3 GLU 21 HG3 GLU 21 6.564 -10.650 8.623 146 H GLY 22 H GLY 22 8.709 -7.443 6.377 147 HA2 GLY 22 HA2 GLY 22 9.090 -4.713 7.241 148 HA3 GLY 22 HA3 GLY 22 9.838 -5.490 5.831 149 H VAL 23 H VAL 23 7.005 -6.265 4.841 150 HA VAL 23 HA VAL 23 6.449 -3.688 3.511 151 HB VAL 23 HB VAL 23 5.285 -6.496 3.154 152 HG11 VAL 23 HG11 VAL 23 4.369 -5.525 1.007 153 HG12 VAL 23 HG12 VAL 23 3.576 -5.022 2.499 154 HG13 VAL 23 HG13 VAL 23 4.708 -3.913 1.688 155 HG21 VAL 23 HG21 VAL 23 7.592 -6.298 2.399 156 HG22 VAL 23 HG22 VAL 23 6.500 -6.445 1.016 157 HG23 VAL 23 HG23 VAL 23 7.160 -4.857 1.437 158 H ARG 24 H ARG 24 4.790 -6.087 5.613 159 HA ARG 24 HA ARG 24 2.231 -4.964 5.587 160 HB2 ARG 24 HB2 ARG 24 3.644 -6.246 7.944 161 HB3 ARG 24 HB3 ARG 24 1.896 -6.037 7.777 162 HG2 ARG 24 HG2 ARG 24 3.105 -7.422 5.480 163 HG3 ARG 24 HG3 ARG 24 3.389 -8.262 7.004 164 HD2 ARG 24 HD2 ARG 24 0.659 -7.348 6.070 165 HD3 ARG 24 HD3 ARG 24 1.338 -8.948 5.719 166 HE ARG 24 HE ARG 24 0.294 -7.986 8.275 167 HH11 ARG 24 HH11 ARG 24 2.329 -10.457 6.735 168 HH12 ARG 24 HH12 ARG 24 2.076 -11.585 8.043 169 HH21 ARG 24 HH21 ARG 24 0.072 -9.499 9.906 170 HH22 ARG 24 HH22 ARG 24 0.880 -11.045 9.794 171 H ARG 25 H ARG 25 4.934 -4.039 7.753 172 HA ARG 25 HA ARG 25 3.359 -2.150 9.218 173 HB2 ARG 25 HB2 ARG 25 5.449 -1.236 9.989 174 HB3 ARG 25 HB3 ARG 25 5.521 -2.998 9.992 175 HG2 ARG 25 HG2 ARG 25 7.566 -2.696 9.058 176 HG3 ARG 25 HG3 ARG 25 6.659 -2.495 7.550 177 HD2 ARG 25 HD2 ARG 25 8.304 -0.677 7.818 178 HD3 ARG 25 HD3 ARG 25 6.661 -0.033 7.882 179 HE ARG 25 HE ARG 25 6.872 0.360 10.208 180 HH11 ARG 25 HH11 ARG 25 9.927 -0.797 8.841 181 HH12 ARG 25 HH12 ARG 25 10.839 -0.258 10.225 182 HH21 ARG 25 HH21 ARG 25 8.115 1.017 11.916 183 HH22 ARG 25 HH22 ARG 25 9.836 0.758 11.921 184 H ALA 26 H ALA 26 4.828 -1.861 6.083 185 HA ALA 26 HA ALA 26 4.684 1.037 6.038 186 HB1 ALA 26 HB1 ALA 26 5.383 -1.010 3.889 187 HB2 ALA 26 HB2 ALA 26 5.503 0.751 3.720 188 HB3 ALA 26 HB3 ALA 26 6.544 -0.099 4.885 189 H LEU 27 H LEU 27 2.943 -1.858 4.902 190 HA LEU 27 HA LEU 27 1.166 -0.640 3.087 191 HB2 LEU 27 HB2 LEU 27 0.508 -2.823 5.132 192 HB3 LEU 27 HB3 LEU 27 -0.462 -2.396 3.746 193 HG LEU 27 HG LEU 27 2.167 -3.872 3.772 194 HD11 LEU 27 HD11 LEU 27 0.852 -5.647 2.753 195 HD12 LEU 27 HD12 LEU 27 0.083 -5.140 4.272 196 HD13 LEU 27 HD13 LEU 27 -0.592 -4.603 2.717 197 HD21 LEU 27 HD21 LEU 27 0.628 -2.642 1.508 198 HD22 LEU 27 HD22 LEU 27 2.324 -2.374 2.000 199 HD23 LEU 27 HD23 LEU 27 1.836 -3.935 1.307 200 H ASP 28 H ASP 28 0.651 -1.353 6.552 201 HA ASP 28 HA ASP 28 -1.895 0.019 6.541 202 HB2 ASP 28 HB2 ASP 28 -0.021 -0.924 8.791 203 HB3 ASP 28 HB3 ASP 28 -1.691 -0.361 9.038 204 H PHE 29 H PHE 29 1.443 0.901 7.396 205 HA PHE 29 HA PHE 29 0.743 3.322 8.773 206 HB2 PHE 29 HB2 PHE 29 2.962 2.283 8.916 207 HB3 PHE 29 HB3 PHE 29 3.223 2.572 7.192 208 HD1 PHE 29 HD1 PHE 29 3.053 4.116 10.544 209 HD2 PHE 29 HD2 PHE 29 3.688 4.847 6.353 210 HE1 PHE 29 HE1 PHE 29 3.999 6.359 11.077 211 HE2 PHE 29 HE2 PHE 29 4.634 7.081 6.879 212 HZ PHE 29 HZ PHE 29 4.791 7.845 9.240 213 H ALA 30 H ALA 30 1.612 2.561 5.340 214 HA ALA 30 HA ALA 30 1.503 5.278 4.463 215 HB1 ALA 30 HB1 ALA 30 1.035 4.332 2.221 216 HB2 ALA 30 HB2 ALA 30 2.322 3.436 3.063 217 HB3 ALA 30 HB3 ALA 30 0.674 2.757 2.960 218 H VAL 31 H VAL 31 -1.252 2.942 4.572 219 HA VAL 31 HA VAL 31 -3.162 4.677 3.257 220 HB VAL 31 HB VAL 31 -4.162 2.825 5.349 221 HG11 VAL 31 HG11 VAL 31 -5.540 1.914 3.674 222 HG12 VAL 31 HG12 VAL 31 -5.670 3.680 3.832 223 HG13 VAL 31 HG13 VAL 31 -4.756 2.979 2.471 224 HG21 VAL 31 HG21 VAL 31 -3.571 0.817 4.287 225 HG22 VAL 31 HG22 VAL 31 -2.410 1.756 3.302 226 HG23 VAL 31 HG23 VAL 31 -2.297 1.770 5.099 227 H GLY 32 H GLY 32 -2.210 3.775 6.559 228 HA2 GLY 32 HA2 GLY 32 -4.372 5.036 7.883 229 HA3 GLY 32 HA3 GLY 32 -2.801 4.633 8.601 230 H GLU 33 H GLU 33 -1.251 6.080 6.674 231 HA GLU 33 HA GLU 33 -1.581 8.708 8.081 232 HB2 GLU 33 HB2 GLU 33 0.586 7.562 7.984 233 HB3 GLU 33 HB3 GLU 33 0.627 7.771 6.229 234 HG2 GLU 33 HG2 GLU 33 1.029 10.028 6.380 235 HG3 GLU 33 HG3 GLU 33 0.249 10.169 7.965 236 H TYR 34 H TYR 34 -2.074 7.331 4.973 237 HA TYR 34 HA TYR 34 -2.216 9.955 3.828 238 HB2 TYR 34 HB2 TYR 34 -1.163 8.108 2.547 239 HB3 TYR 34 HB3 TYR 34 -2.783 7.429 2.298 240 HD1 TYR 34 HD1 TYR 34 -0.662 10.467 1.759 241 HD2 TYR 34 HD2 TYR 34 -4.245 8.377 0.610 242 HE1 TYR 34 HE1 TYR 34 -1.010 12.084 -0.104 243 HE2 TYR 34 HE2 TYR 34 -4.594 10.015 -1.244 244 HH TYR 34 HH TYR 34 -2.372 12.765 -1.786 245 H ASN 35 H ASN 35 -4.355 7.223 3.905 246 HA ASN 35 HA ASN 35 -6.621 8.769 2.897 247 HB2 ASN 35 HB2 ASN 35 -6.034 5.872 3.623 248 HB3 ASN 35 HB3 ASN 35 -7.694 6.406 3.256 249 HD21 ASN 35 HD21 ASN 35 -7.729 7.860 1.160 250 HD22 ASN 35 HD22 ASN 35 -6.879 7.147 -0.191 251 H LYS 36 H LYS 36 -5.911 6.806 5.800 252 HA LYS 36 HA LYS 36 -8.393 7.534 7.113 253 HB2 LYS 36 HB2 LYS 36 -7.285 5.485 7.702 254 HB3 LYS 36 HB3 LYS 36 -5.780 6.338 7.995 255 HG2 LYS 36 HG2 LYS 36 -8.024 7.154 9.740 256 HG3 LYS 36 HG3 LYS 36 -7.410 5.506 9.975 257 HD2 LYS 36 HD2 LYS 36 -5.268 6.218 10.563 258 HD3 LYS 36 HD3 LYS 36 -5.419 7.749 9.703 259 HE2 LYS 36 HE2 LYS 36 -7.130 7.194 12.133 260 HE3 LYS 36 HE3 LYS 36 -5.464 7.787 12.301 261 HZ1 LYS 36 HZ1 LYS 36 -7.492 9.165 10.624 262 HZ2 LYS 36 HZ2 LYS 36 -7.199 9.568 12.202 263 HZ3 LYS 36 HZ3 LYS 36 -6.013 9.730 11.070 264 H ALA 37 H ALA 37 -5.146 8.916 6.972 265 HA ALA 37 HA ALA 37 -5.502 10.604 9.278 266 HB1 ALA 37 HB1 ALA 37 -3.338 9.879 8.178 267 HB2 ALA 37 HB2 ALA 37 -3.694 11.159 6.991 268 HB3 ALA 37 HB3 ALA 37 -3.490 11.576 8.703 269 H SER 38 H SER 38 -6.149 10.783 5.816 270 HA SER 38 HA SER 38 -6.840 13.611 5.794 271 HB2 SER 38 HB2 SER 38 -6.138 12.381 3.759 272 HB3 SER 38 HB3 SER 38 -7.597 11.376 3.869 273 HG SER 38 HG SER 38 -7.885 13.111 2.430 274 H ASN 39 H ASN 39 -8.953 14.497 5.568 275 HA ASN 39 HA ASN 39 -10.980 13.098 7.194 276 HB2 ASN 39 HB2 ASN 39 -10.342 15.569 7.398 277 HB3 ASN 39 HB3 ASN 39 -11.182 15.803 5.857 278 HD21 ASN 39 HD21 ASN 39 -13.126 16.652 6.184 279 HD22 ASN 39 HD22 ASN 39 -14.212 16.231 7.485 280 H ASP 40 H ASP 40 -10.689 11.618 5.031 281 HA ASP 40 HA ASP 40 -12.236 12.431 2.746 282 HB2 ASP 40 HB2 ASP 40 -10.490 10.567 2.866 283 HB3 ASP 40 HB3 ASP 40 -11.741 9.570 3.626 284 H MET 41 H MET 41 -14.345 12.466 2.429 285 HA MET 41 HA MET 41 -16.206 11.819 4.574 286 HB2 MET 41 HB2 MET 41 -16.700 12.548 1.661 287 HB3 MET 41 HB3 MET 41 -17.918 12.532 2.941 288 HG2 MET 41 HG2 MET 41 -16.675 14.324 4.124 289 HG3 MET 41 HG3 MET 41 -15.503 14.372 2.795 290 HE1 MET 41 HE1 MET 41 -17.175 14.152 0.089 291 HE2 MET 41 HE2 MET 41 -17.511 15.875 -0.188 292 HE3 MET 41 HE3 MET 41 -15.923 15.369 0.436 293 H TYR 42 H TYR 42 -14.712 10.097 2.031 294 HA TYR 42 HA TYR 42 -16.883 8.036 2.008 295 HB2 TYR 42 HB2 TYR 42 -14.666 8.525 -0.006 296 HB3 TYR 42 HB3 TYR 42 -16.013 7.391 -0.167 297 HD1 TYR 42 HD1 TYR 42 -14.891 10.832 -0.621 298 HD2 TYR 42 HD2 TYR 42 -18.387 8.325 -0.412 299 HE1 TYR 42 HE1 TYR 42 -16.250 12.625 -1.704 300 HE2 TYR 42 HE2 TYR 42 -19.735 10.125 -1.497 301 HH TYR 42 HH TYR 42 -19.742 12.257 -2.331 302 H HIS 43 H HIS 43 -16.055 5.780 1.729 303 HA HIS 43 HA HIS 43 -13.761 5.337 3.534 304 HB2 HIS 43 HB2 HIS 43 -15.675 3.459 2.071 305 HB3 HIS 43 HB3 HIS 43 -14.334 2.913 3.088 306 HD1 HIS 43 HD1 HIS 43 -17.760 4.489 3.336 307 HD2 HIS 43 HD2 HIS 43 -14.711 3.131 5.807 308 HE1 HIS 43 HE1 HIS 43 -18.710 4.414 5.673 309 H SER 44 H SER 44 -11.777 5.535 2.610 310 HA SER 44 HA SER 44 -11.379 4.238 -0.056 311 HB2 SER 44 HB2 SER 44 -10.032 6.750 1.017 312 HB3 SER 44 HB3 SER 44 -9.626 5.927 -0.505 313 HG SER 44 HG SER 44 -11.547 7.741 -0.008 314 H ARG 45 H ARG 45 -9.520 3.057 -0.294 315 HA ARG 45 HA ARG 45 -7.737 2.757 2.054 316 HB2 ARG 45 HB2 ARG 45 -9.933 1.235 2.106 317 HB3 ARG 45 HB3 ARG 45 -9.083 0.318 0.861 318 HG2 ARG 45 HG2 ARG 45 -7.136 0.186 2.562 319 HG3 ARG 45 HG3 ARG 45 -8.315 0.768 3.746 320 HD2 ARG 45 HD2 ARG 45 -8.358 -1.594 3.941 321 HD3 ARG 45 HD3 ARG 45 -9.803 -1.189 2.996 322 HE ARG 45 HE ARG 45 -7.634 -1.717 1.203 323 HH11 ARG 45 HH11 ARG 45 -9.704 -3.499 3.454 324 HH12 ARG 45 HH12 ARG 45 -9.580 -4.981 2.548 325 HH21 ARG 45 HH21 ARG 45 -7.507 -3.644 0.102 326 HH22 ARG 45 HH22 ARG 45 -8.346 -5.057 0.689 327 H ALA 46 H ALA 46 -5.880 1.391 1.475 328 HA ALA 46 HA ALA 46 -5.100 1.383 -1.326 329 HB1 ALA 46 HB1 ALA 46 -3.342 1.324 0.478 330 HB2 ALA 46 HB2 ALA 46 -4.047 -0.163 1.147 331 HB3 ALA 46 HB3 ALA 46 -3.267 -0.187 -0.468 332 H LEU 47 H LEU 47 -6.498 0.285 -2.633 333 HA LEU 47 HA LEU 47 -8.235 -1.819 -1.714 334 HB2 LEU 47 HB2 LEU 47 -7.298 -0.830 -4.425 335 HB3 LEU 47 HB3 LEU 47 -8.263 -2.281 -4.301 336 HG LEU 47 HG LEU 47 -9.180 0.492 -3.542 337 HD11 LEU 47 HD11 LEU 47 -10.538 0.061 -5.636 338 HD12 LEU 47 HD12 LEU 47 -8.785 0.191 -5.909 339 HD13 LEU 47 HD13 LEU 47 -9.562 -1.404 -5.891 340 HD21 LEU 47 HD21 LEU 47 -10.354 -1.180 -2.202 341 HD22 LEU 47 HD22 LEU 47 -11.423 -0.599 -3.490 342 HD23 LEU 47 HD23 LEU 47 -10.628 -2.187 -3.647 343 H GLN 48 H GLN 48 -5.279 -1.687 -3.630 344 HA GLN 48 HA GLN 48 -4.637 -4.501 -3.038 345 HB2 GLN 48 HB2 GLN 48 -6.254 -4.684 -4.850 346 HB3 GLN 48 HB3 GLN 48 -5.496 -3.377 -5.737 347 HG2 GLN 48 HG2 GLN 48 -3.497 -5.419 -5.351 348 HG3 GLN 48 HG3 GLN 48 -4.983 -6.203 -5.897 349 HE21 GLN 48 HE21 GLN 48 -3.262 -3.132 -6.632 350 HE22 GLN 48 HE22 GLN 48 -3.360 -3.332 -8.368 351 H VAL 49 H VAL 49 -2.436 -4.649 -2.900 352 HA VAL 49 HA VAL 49 -0.836 -2.386 -3.742 353 HB VAL 49 HB VAL 49 -0.270 -4.894 -2.194 354 HG11 VAL 49 HG11 VAL 49 1.934 -3.334 -3.616 355 HG12 VAL 49 HG12 VAL 49 2.177 -4.565 -2.361 356 HG13 VAL 49 HG13 VAL 49 1.493 -5.036 -3.923 357 HG21 VAL 49 HG21 VAL 49 0.719 -1.967 -1.941 358 HG22 VAL 49 HG22 VAL 49 -0.708 -2.662 -1.111 359 HG23 VAL 49 HG23 VAL 49 0.907 -3.286 -0.738 360 H VAL 50 H VAL 50 0.307 -2.108 -5.508 361 HA VAL 50 HA VAL 50 0.015 -4.121 -7.652 362 HB VAL 50 HB VAL 50 1.448 -1.409 -7.722 363 HG11 VAL 50 HG11 VAL 50 1.128 -1.576 -10.166 364 HG12 VAL 50 HG12 VAL 50 2.044 -2.970 -9.570 365 HG13 VAL 50 HG13 VAL 50 0.325 -3.152 -9.968 366 HG21 VAL 50 HG21 VAL 50 -1.402 -2.104 -8.443 367 HG22 VAL 50 HG22 VAL 50 -0.863 -1.039 -7.124 368 HG23 VAL 50 HG23 VAL 50 -0.594 -0.563 -8.808 369 H ARG 51 H ARG 51 2.530 -2.357 -5.791 370 HA ARG 51 HA ARG 51 4.431 -4.618 -6.206 371 HB2 ARG 51 HB2 ARG 51 5.146 -1.701 -6.733 372 HB3 ARG 51 HB3 ARG 51 6.247 -3.071 -6.799 373 HG2 ARG 51 HG2 ARG 51 3.949 -2.569 -8.714 374 HG3 ARG 51 HG3 ARG 51 5.653 -2.234 -9.031 375 HD2 ARG 51 HD2 ARG 51 6.163 -4.639 -8.711 376 HD3 ARG 51 HD3 ARG 51 4.442 -4.949 -8.484 377 HE ARG 51 HE ARG 51 5.742 -4.106 -11.017 378 HH11 ARG 51 HH11 ARG 51 2.883 -5.419 -9.377 379 HH12 ARG 51 HH12 ARG 51 2.128 -5.861 -10.891 380 HH21 ARG 51 HH21 ARG 51 4.688 -4.682 -12.884 381 HH22 ARG 51 HH22 ARG 51 3.122 -5.439 -12.825 382 H ALA 52 H ALA 52 5.923 -4.788 -4.481 383 HA ALA 52 HA ALA 52 5.874 -2.635 -2.428 384 HB1 ALA 52 HB1 ALA 52 5.675 -4.393 -0.656 385 HB2 ALA 52 HB2 ALA 52 4.208 -4.265 -1.643 386 HB3 ALA 52 HB3 ALA 52 5.349 -5.604 -1.914 387 H ARG 53 H ARG 53 7.915 -2.040 -2.193 388 HA ARG 53 HA ARG 53 9.992 -4.141 -2.143 389 HB2 ARG 53 HB2 ARG 53 11.337 -2.973 -3.879 390 HB3 ARG 53 HB3 ARG 53 9.903 -3.774 -4.471 391 HG2 ARG 53 HG2 ARG 53 9.950 -0.862 -3.965 392 HG3 ARG 53 HG3 ARG 53 10.486 -1.580 -5.481 393 HD2 ARG 53 HD2 ARG 53 8.183 -2.791 -5.426 394 HD3 ARG 53 HD3 ARG 53 7.739 -1.531 -4.272 395 HE ARG 53 HE ARG 53 7.541 -0.016 -5.986 396 HH11 ARG 53 HH11 ARG 53 9.304 -2.844 -7.245 397 HH12 ARG 53 HH12 ARG 53 9.220 -2.250 -8.882 398 HH21 ARG 53 HH21 ARG 53 7.423 0.616 -8.050 399 HH22 ARG 53 HH22 ARG 53 8.180 -0.299 -9.337 400 H LYS 54 H LYS 54 12.121 -3.311 -1.742 401 HA LYS 54 HA LYS 54 12.123 -0.669 -0.460 402 HB2 LYS 54 HB2 LYS 54 12.987 -1.607 1.712 403 HB3 LYS 54 HB3 LYS 54 11.289 -1.861 1.402 404 HG2 LYS 54 HG2 LYS 54 13.405 -4.027 0.916 405 HG3 LYS 54 HG3 LYS 54 12.593 -3.809 2.461 406 HD2 LYS 54 HD2 LYS 54 11.371 -4.782 -0.152 407 HD3 LYS 54 HD3 LYS 54 11.463 -5.628 1.385 408 HE2 LYS 54 HE2 LYS 54 9.781 -3.136 0.869 409 HE3 LYS 54 HE3 LYS 54 9.186 -4.794 0.844 410 HZ1 LYS 54 HZ1 LYS 54 9.826 -5.010 3.151 411 HZ2 LYS 54 HZ2 LYS 54 10.390 -3.460 3.184 412 HZ3 LYS 54 HZ3 LYS 54 8.780 -3.747 2.967 413 H GLN 55 H GLN 55 14.096 0.120 0.164 414 HA GLN 55 HA GLN 55 16.462 -1.113 -1.169 415 HB2 GLN 55 HB2 GLN 55 15.535 1.449 -1.226 416 HB3 GLN 55 HB3 GLN 55 16.479 1.533 0.256 417 HG2 GLN 55 HG2 GLN 55 17.460 0.910 -2.536 418 HG3 GLN 55 HG3 GLN 55 17.862 2.310 -1.538 419 HE21 GLN 55 HE21 GLN 55 19.126 1.862 0.480 420 HE22 GLN 55 HE22 GLN 55 20.252 0.522 0.433 421 H ILE 56 H ILE 56 18.104 -1.932 0.190 422 HA ILE 56 HA ILE 56 17.737 -1.517 3.142 423 HB ILE 56 HB ILE 56 18.683 -4.048 1.705 424 HG12 ILE 56 HG12 ILE 56 16.249 -3.765 1.492 425 HG13 ILE 56 HG13 ILE 56 16.674 -5.147 2.493 426 HG21 ILE 56 HG21 ILE 56 18.627 -5.077 4.022 427 HG22 ILE 56 HG22 ILE 56 19.877 -3.838 3.817 428 HG23 ILE 56 HG23 ILE 56 18.379 -3.447 4.692 429 HD11 ILE 56 HD11 ILE 56 16.103 -3.869 4.552 430 HD12 ILE 56 HD12 ILE 56 15.696 -2.450 3.560 431 HD13 ILE 56 HD13 ILE 56 14.737 -3.934 3.427 432 H GLY 57 H GLY 57 19.574 -0.770 4.158 433 HA2 GLY 57 HA2 GLY 57 22.201 -1.352 3.691 434 HA3 GLY 57 HA3 GLY 57 21.851 -0.115 2.463 435 H ALA 58 H ALA 58 23.311 1.343 3.525 436 HA ALA 58 HA ALA 58 23.070 2.157 6.244 437 HB1 ALA 58 HB1 ALA 58 24.361 4.152 5.509 438 HB2 ALA 58 HB2 ALA 58 25.055 2.649 4.861 439 HB3 ALA 58 HB3 ALA 58 24.079 3.709 3.810 440 H GLY 59 H GLY 59 21.151 2.867 3.438 441 HA2 GLY 59 HA2 GLY 59 19.406 4.583 5.144 442 HA3 GLY 59 HA3 GLY 59 19.713 4.971 3.422 443 H VAL 60 H VAL 60 17.294 3.797 5.121 444 HA VAL 60 HA VAL 60 16.838 1.434 3.328 445 HB VAL 60 HB VAL 60 15.799 2.037 6.137 446 HG11 VAL 60 HG11 VAL 60 15.082 -0.291 4.295 447 HG12 VAL 60 HG12 VAL 60 14.605 -0.140 6.001 448 HG13 VAL 60 HG13 VAL 60 13.987 1.014 4.805 449 HG21 VAL 60 HG21 VAL 60 16.965 -0.041 6.770 450 HG22 VAL 60 HG22 VAL 60 17.525 -0.246 5.094 451 HG23 VAL 60 HG23 VAL 60 18.102 1.126 6.067 452 H ASN 61 H ASN 61 15.133 1.646 1.941 453 HA ASN 61 HA ASN 61 13.264 3.913 2.460 454 HB2 ASN 61 HB2 ASN 61 15.252 4.492 0.902 455 HB3 ASN 61 HB3 ASN 61 14.449 3.452 -0.283 456 HD21 ASN 61 HD21 ASN 61 14.814 5.963 -1.013 457 HD22 ASN 61 HD22 ASN 61 13.328 6.873 -0.935 458 H TYR 62 H TYR 62 11.282 3.150 2.441 459 HA TYR 62 HA TYR 62 10.700 0.591 1.047 460 HB2 TYR 62 HB2 TYR 62 9.004 2.388 2.832 461 HB3 TYR 62 HB3 TYR 62 8.483 0.841 2.173 462 HD1 TYR 62 HD1 TYR 62 9.820 -1.266 2.878 463 HD2 TYR 62 HD2 TYR 62 10.115 2.493 4.934 464 HE1 TYR 62 HE1 TYR 62 10.722 -2.435 4.904 465 HE2 TYR 62 HE2 TYR 62 10.980 1.313 6.955 466 HH TYR 62 HH TYR 62 11.537 -2.209 7.019 467 H PHE 63 H PHE 63 9.532 0.500 -0.827 468 HA PHE 63 HA PHE 63 8.152 3.012 -1.718 469 HB2 PHE 63 HB2 PHE 63 9.429 0.897 -3.458 470 HB3 PHE 63 HB3 PHE 63 8.671 2.381 -4.014 471 HD1 PHE 63 HD1 PHE 63 11.675 0.804 -2.642 472 HD2 PHE 63 HD2 PHE 63 9.847 4.566 -3.645 473 HE1 PHE 63 HE1 PHE 63 13.904 1.896 -2.569 474 HE2 PHE 63 HE2 PHE 63 12.081 5.672 -3.575 475 HZ PHE 63 HZ PHE 63 14.117 4.332 -3.045 476 H LEU 64 H LEU 64 6.007 2.654 -1.685 477 HA LEU 64 HA LEU 64 5.069 -0.158 -2.075 478 HB2 LEU 64 HB2 LEU 64 5.101 0.725 0.309 479 HB3 LEU 64 HB3 LEU 64 3.909 1.914 -0.174 480 HG LEU 64 HG LEU 64 3.160 -0.195 1.080 481 HD11 LEU 64 HD11 LEU 64 1.610 1.391 -0.011 482 HD12 LEU 64 HD12 LEU 64 1.724 0.447 -1.514 483 HD13 LEU 64 HD13 LEU 64 1.027 -0.283 -0.051 484 HD21 LEU 64 HD21 LEU 64 3.329 -1.435 -1.695 485 HD22 LEU 64 HD22 LEU 64 4.479 -1.763 -0.374 486 HD23 LEU 64 HD23 LEU 64 2.778 -2.195 -0.207 487 H ASP 65 H ASP 65 3.901 -0.320 -3.830 488 HA ASP 65 HA ASP 65 2.374 2.115 -4.726 489 HB2 ASP 65 HB2 ASP 65 3.485 -0.227 -6.378 490 HB3 ASP 65 HB3 ASP 65 2.614 1.171 -7.022 491 H VAL 66 H VAL 66 0.561 2.106 -5.122 492 HA VAL 66 HA VAL 66 -1.131 -0.190 -4.686 493 HB VAL 66 HB VAL 66 -0.275 1.393 -2.502 494 HG11 VAL 66 HG11 VAL 66 -2.387 1.922 -1.543 495 HG12 VAL 66 HG12 VAL 66 -2.259 2.758 -3.086 496 HG13 VAL 66 HG13 VAL 66 -3.260 1.280 -2.966 497 HG21 VAL 66 HG21 VAL 66 -2.342 -0.681 -2.730 498 HG22 VAL 66 HG22 VAL 66 -0.592 -0.863 -2.744 499 HG23 VAL 66 HG23 VAL 66 -1.341 -0.199 -1.317 500 H GLU 67 H GLU 67 -3.084 -0.265 -5.142 501 HA GLU 67 HA GLU 67 -4.093 1.879 -6.923 502 HB2 GLU 67 HB2 GLU 67 -4.094 -0.567 -7.583 503 HB3 GLU 67 HB3 GLU 67 -5.249 -0.865 -6.280 504 HG2 GLU 67 HG2 GLU 67 -6.831 0.712 -7.363 505 HG3 GLU 67 HG3 GLU 67 -5.668 0.942 -8.684 506 H LEU 68 H LEU 68 -5.742 3.192 -6.316 507 HA LEU 68 HA LEU 68 -7.118 2.612 -3.717 508 HB2 LEU 68 HB2 LEU 68 -6.211 5.182 -4.960 509 HB3 LEU 68 HB3 LEU 68 -7.719 5.176 -4.051 510 HG LEU 68 HG LEU 68 -6.559 4.399 -2.043 511 HD11 LEU 68 HD11 LEU 68 -4.104 4.552 -3.760 512 HD12 LEU 68 HD12 LEU 68 -4.061 4.633 -1.981 513 HD13 LEU 68 HD13 LEU 68 -4.718 3.202 -2.795 514 HD21 LEU 68 HD21 LEU 68 -5.345 6.544 -1.627 515 HD22 LEU 68 HD22 LEU 68 -5.501 6.917 -3.359 516 HD23 LEU 68 HD23 LEU 68 -6.953 6.747 -2.357 517 H GLY 69 H GLY 69 -9.249 3.112 -3.501 518 HA2 GLY 69 HA2 GLY 69 -10.884 4.018 -5.675 519 HA3 GLY 69 HA3 GLY 69 -10.971 2.238 -5.473 520 H ARG 70 H ARG 70 -12.960 4.458 -4.793 521 HA ARG 70 HA ARG 70 -13.072 4.358 -1.866 522 HB2 ARG 70 HB2 ARG 70 -14.976 5.304 -4.029 523 HB3 ARG 70 HB3 ARG 70 -15.415 5.281 -2.311 524 HG2 ARG 70 HG2 ARG 70 -13.628 6.797 -1.758 525 HG3 ARG 70 HG3 ARG 70 -12.979 6.732 -3.403 526 HD2 ARG 70 HD2 ARG 70 -15.805 7.531 -3.270 527 HD3 ARG 70 HD3 ARG 70 -14.697 8.625 -2.421 528 HE ARG 70 HE ARG 70 -13.649 7.951 -5.018 529 HH11 ARG 70 HH11 ARG 70 -16.089 10.002 -3.468 530 HH12 ARG 70 HH12 ARG 70 -16.040 11.184 -4.749 531 HH21 ARG 70 HH21 ARG 70 -13.602 9.518 -6.574 532 HH22 ARG 70 HH22 ARG 70 -14.669 10.909 -6.482 533 H THR 71 H THR 71 -14.213 2.902 -0.651 534 HA THR 71 HA THR 71 -15.089 0.529 -2.163 535 HB THR 71 HB THR 71 -15.123 -0.601 0.069 536 HG1 THR 71 HG1 THR 71 -15.584 1.216 1.363 537 HG21 THR 71 HG21 THR 71 -12.550 0.958 -0.431 538 HG22 THR 71 HG22 THR 71 -12.714 -0.562 0.475 539 HG23 THR 71 HG23 THR 71 -13.027 -0.538 -1.275 540 H THR 72 H THR 72 -17.080 -0.438 -2.009 541 HA THR 72 HA THR 72 -19.285 1.416 -1.569 542 HB THR 72 HB THR 72 -20.663 -0.699 -2.039 543 HG1 THR 72 HG1 THR 72 -18.265 -1.854 -2.965 544 HG21 THR 72 HG21 THR 72 -18.515 0.124 -4.037 545 HG22 THR 72 HG22 THR 72 -19.985 -0.795 -4.424 546 HG23 THR 72 HG23 THR 72 -20.116 0.876 -3.832 547 H CYS 73 H CYS 73 -17.621 -0.855 0.431 548 HA CYS 73 HA CYS 73 -19.912 -0.957 2.335 549 HB2 CYS 73 HB2 CYS 73 -17.355 -2.565 2.213 550 HB3 CYS 73 HB3 CYS 73 -18.639 -2.760 3.414 551 H THR 74 H THR 74 -19.338 -0.930 4.666 552 HA THR 74 HA THR 74 -17.649 1.382 5.114 553 HB THR 74 HB THR 74 -18.715 1.672 7.171 554 HG1 THR 74 HG1 THR 74 -19.491 -0.054 8.382 555 HG21 THR 74 HG21 THR 74 -20.445 1.468 5.294 556 HG22 THR 74 HG22 THR 74 -20.808 -0.131 6.016 557 HG23 THR 74 HG23 THR 74 -20.986 1.348 6.981 558 H LYS 75 H LYS 75 -16.458 1.522 6.972 559 HA LYS 75 HA LYS 75 -14.284 -0.285 7.153 560 HB2 LYS 75 HB2 LYS 75 -13.637 1.178 9.082 561 HB3 LYS 75 HB3 LYS 75 -14.123 2.102 7.652 562 HG2 LYS 75 HG2 LYS 75 -16.440 2.409 8.665 563 HG3 LYS 75 HG3 LYS 75 -15.881 1.547 10.106 564 HD2 LYS 75 HD2 LYS 75 -15.717 3.878 10.629 565 HD3 LYS 75 HD3 LYS 75 -14.054 3.324 10.358 566 HE2 LYS 75 HE2 LYS 75 -14.145 4.243 8.038 567 HE3 LYS 75 HE3 LYS 75 -15.802 4.792 8.328 568 HZ1 LYS 75 HZ1 LYS 75 -14.220 6.580 8.605 569 HZ2 LYS 75 HZ2 LYS 75 -14.948 6.263 10.050 570 HZ3 LYS 75 HZ3 LYS 75 -13.403 5.754 9.776 571 H THR 76 H THR 76 -17.282 -0.356 8.780 572 HA THR 76 HA THR 76 -16.237 -2.139 10.920 573 HB THR 76 HB THR 76 -18.790 -1.791 11.264 574 HG1 THR 76 HG1 THR 76 -19.385 0.328 10.766 575 HG21 THR 76 HG21 THR 76 -16.694 0.270 12.041 576 HG22 THR 76 HG22 THR 76 -18.273 0.098 12.841 577 HG23 THR 76 HG23 THR 76 -17.073 -1.206 12.960 578 H GLN 77 H GLN 77 -18.065 -2.089 8.168 579 HA GLN 77 HA GLN 77 -19.932 -4.155 8.623 580 HB2 GLN 77 HB2 GLN 77 -18.847 -2.865 6.180 581 HB3 GLN 77 HB3 GLN 77 -19.645 -4.426 5.971 582 HG2 GLN 77 HG2 GLN 77 -21.598 -3.534 7.270 583 HG3 GLN 77 HG3 GLN 77 -20.828 -1.949 7.256 584 HE21 GLN 77 HE21 GLN 77 -23.256 -3.492 5.900 585 HE22 GLN 77 HE22 GLN 77 -23.182 -2.879 4.264 586 HA PRO 78 HA PRO 78 -17.825 -7.903 8.717 587 HB2 PRO 78 HB2 PRO 78 -19.646 -9.665 7.730 588 HB3 PRO 78 HB3 PRO 78 -19.937 -8.737 9.237 589 HG2 PRO 78 HG2 PRO 78 -20.846 -8.109 6.430 590 HG3 PRO 78 HG3 PRO 78 -21.829 -8.225 7.926 591 HD2 PRO 78 HD2 PRO 78 -20.948 -5.829 7.011 592 HD3 PRO 78 HD3 PRO 78 -20.987 -6.195 8.770 593 H ASN 79 H ASN 79 -17.548 -6.450 5.877 594 HA ASN 79 HA ASN 79 -16.544 -8.916 4.572 595 HB2 ASN 79 HB2 ASN 79 -18.750 -7.158 3.594 596 HB3 ASN 79 HB3 ASN 79 -17.628 -7.782 2.386 597 HD21 ASN 79 HD21 ASN 79 -20.471 -8.408 3.880 598 HD22 ASN 79 HD22 ASN 79 -20.509 -10.138 3.650 599 H LEU 80 H LEU 80 -14.915 -6.877 5.788 600 HA LEU 80 HA LEU 80 -14.039 -4.998 3.825 601 HB2 LEU 80 HB2 LEU 80 -12.908 -5.978 6.393 602 HB3 LEU 80 HB3 LEU 80 -11.810 -5.202 5.257 603 HG LEU 80 HG LEU 80 -13.515 -3.290 5.139 604 HD11 LEU 80 HD11 LEU 80 -15.390 -4.319 6.262 605 HD12 LEU 80 HD12 LEU 80 -14.410 -4.612 7.719 606 HD13 LEU 80 HD13 LEU 80 -14.807 -2.955 7.218 607 HD21 LEU 80 HD21 LEU 80 -11.314 -3.134 6.148 608 HD22 LEU 80 HD22 LEU 80 -12.497 -2.251 7.138 609 HD23 LEU 80 HD23 LEU 80 -11.921 -3.848 7.665 610 H ASP 81 H ASP 81 -13.403 -8.396 3.824 611 HA ASP 81 HA ASP 81 -11.016 -7.955 2.152 612 HB2 ASP 81 HB2 ASP 81 -12.535 -10.466 2.893 613 HB3 ASP 81 HB3 ASP 81 -11.034 -10.427 1.947 614 H ASN 82 H ASN 82 -14.370 -8.972 1.877 615 HA ASN 82 HA ASN 82 -14.133 -9.625 -0.945 616 HB2 ASN 82 HB2 ASN 82 -16.523 -9.533 0.929 617 HB3 ASN 82 HB3 ASN 82 -16.585 -10.088 -0.752 618 HD21 ASN 82 HD21 ASN 82 -16.815 -11.328 2.111 619 HD22 ASN 82 HD22 ASN 82 -15.847 -12.781 1.943 620 H CYS 83 H CYS 83 -15.589 -6.891 0.884 621 HA CYS 83 HA CYS 83 -16.941 -5.863 -1.419 622 HB2 CYS 83 HB2 CYS 83 -15.868 -4.378 0.996 623 HB3 CYS 83 HB3 CYS 83 -16.925 -3.690 -0.246 624 HA PRO 84 HA PRO 84 -13.233 -3.216 -2.403 625 HB2 PRO 84 HB2 PRO 84 -10.708 -3.905 -1.552 626 HB3 PRO 84 HB3 PRO 84 -11.766 -2.721 -0.723 627 HG2 PRO 84 HG2 PRO 84 -11.311 -5.590 -0.111 628 HG3 PRO 84 HG3 PRO 84 -11.353 -4.171 0.984 629 HD2 PRO 84 HD2 PRO 84 -13.443 -5.824 0.718 630 HD3 PRO 84 HD3 PRO 84 -13.649 -4.057 0.964 631 H PHE 85 H PHE 85 -12.823 -6.741 -2.009 632 HA PHE 85 HA PHE 85 -11.259 -7.109 -4.389 633 HB2 PHE 85 HB2 PHE 85 -12.879 -8.817 -2.565 634 HB3 PHE 85 HB3 PHE 85 -12.808 -9.377 -4.240 635 HD1 PHE 85 HD1 PHE 85 -11.514 -10.338 -1.390 636 HD2 PHE 85 HD2 PHE 85 -10.026 -8.620 -5.052 637 HE1 PHE 85 HE1 PHE 85 -9.281 -11.336 -0.948 638 HE2 PHE 85 HE2 PHE 85 -7.793 -9.615 -4.613 639 HZ PHE 85 HZ PHE 85 -7.409 -10.969 -2.554 640 H HIS 86 H HIS 86 -14.767 -6.853 -3.762 641 HA HIS 86 HA HIS 86 -15.439 -7.280 -6.590 642 HB2 HIS 86 HB2 HIS 86 -17.068 -6.247 -4.241 643 HB3 HIS 86 HB3 HIS 86 -17.723 -6.632 -5.839 644 HD1 HIS 86 HD1 HIS 86 -18.758 -8.136 -3.329 645 HD2 HIS 86 HD2 HIS 86 -15.659 -9.492 -5.747 646 HE1 HIS 86 HE1 HIS 86 -18.620 -10.637 -3.002 647 H ASP 87 H ASP 87 -14.505 -4.582 -4.641 648 HA ASP 87 HA ASP 87 -15.821 -2.554 -6.259 649 HB2 ASP 87 HB2 ASP 87 -13.626 -2.370 -4.175 650 HB3 ASP 87 HB3 ASP 87 -14.279 -0.975 -5.031 651 H GLN 88 H GLN 88 -12.678 -4.230 -6.210 652 HA GLN 88 HA GLN 88 -11.306 -2.518 -7.984 653 HB2 GLN 88 HB2 GLN 88 -11.105 -5.434 -7.365 654 HB3 GLN 88 HB3 GLN 88 -10.316 -4.829 -8.834 655 HG2 GLN 88 HG2 GLN 88 -9.341 -3.043 -7.401 656 HG3 GLN 88 HG3 GLN 88 -9.827 -4.021 -6.004 657 HE21 GLN 88 HE21 GLN 88 -7.398 -3.352 -8.189 658 HE22 GLN 88 HE22 GLN 88 -6.479 -4.845 -8.059 659 HA PRO 89 HA PRO 89 -12.889 -4.605 -11.744 660 HB2 PRO 89 HB2 PRO 89 -15.295 -5.988 -11.743 661 HB3 PRO 89 HB3 PRO 89 -13.698 -6.792 -11.550 662 HG2 PRO 89 HG2 PRO 89 -15.622 -5.876 -9.413 663 HG3 PRO 89 HG3 PRO 89 -14.846 -7.478 -9.608 664 HD2 PRO 89 HD2 PRO 89 -13.846 -5.687 -7.947 665 HD3 PRO 89 HD3 PRO 89 -12.759 -6.664 -8.979 666 H HIS 90 H HIS 90 -15.191 -3.446 -9.292 667 HA HIS 90 HA HIS 90 -16.935 -2.167 -11.246 668 HB2 HIS 90 HB2 HIS 90 -16.660 -2.166 -8.270 669 HB3 HIS 90 HB3 HIS 90 -17.621 -0.907 -9.056 670 HD1 HIS 90 HD1 HIS 90 -17.744 -4.495 -8.090 671 HD2 HIS 90 HD2 HIS 90 -19.894 -1.859 -10.475 672 HE1 HIS 90 HE1 HIS 90 -19.944 -5.617 -8.605 673 H LEU 91 H LEU 91 -13.816 -1.382 -10.041 674 HA LEU 91 HA LEU 91 -14.063 1.502 -10.133 675 HB2 LEU 91 HB2 LEU 91 -11.701 -0.378 -10.420 676 HB3 LEU 91 HB3 LEU 91 -11.552 1.340 -10.571 677 HG LEU 91 HG LEU 91 -11.654 -0.315 -8.137 678 HD11 LEU 91 HD11 LEU 91 -10.538 2.411 -8.925 679 HD12 LEU 91 HD12 LEU 91 -10.197 1.555 -7.415 680 HD13 LEU 91 HD13 LEU 91 -9.674 0.851 -8.944 681 HD21 LEU 91 HD21 LEU 91 -12.563 1.470 -6.714 682 HD22 LEU 91 HD22 LEU 91 -12.986 2.437 -8.144 683 HD23 LEU 91 HD23 LEU 91 -13.807 0.886 -7.822 684 H LYS 92 H LYS 92 -15.041 2.231 -11.983 685 HA LYS 92 HA LYS 92 -14.221 1.242 -14.613 686 HB2 LYS 92 HB2 LYS 92 -15.872 3.689 -13.880 687 HB3 LYS 92 HB3 LYS 92 -15.688 3.010 -15.500 688 HG2 LYS 92 HG2 LYS 92 -17.046 1.648 -13.130 689 HG3 LYS 92 HG3 LYS 92 -17.851 2.380 -14.522 690 HD2 LYS 92 HD2 LYS 92 -17.842 0.301 -15.416 691 HD3 LYS 92 HD3 LYS 92 -16.120 0.577 -15.739 692 HE2 LYS 92 HE2 LYS 92 -15.604 -0.384 -13.470 693 HE3 LYS 92 HE3 LYS 92 -17.320 -0.749 -13.266 694 HZ1 LYS 92 HZ1 LYS 92 -15.970 -2.636 -14.013 695 HZ2 LYS 92 HZ2 LYS 92 -17.181 -2.281 -15.086 696 HZ3 LYS 92 HZ3 LYS 92 -15.622 -1.851 -15.422 697 H ARG 93 H ARG 93 -12.969 3.440 -12.381 698 HA ARG 93 HA ARG 93 -10.995 4.383 -14.423 699 HB2 ARG 93 HB2 ARG 93 -12.059 5.911 -12.003 700 HB3 ARG 93 HB3 ARG 93 -10.700 6.413 -13.006 701 HG2 ARG 93 HG2 ARG 93 -12.273 6.630 -14.940 702 HG3 ARG 93 HG3 ARG 93 -13.614 6.286 -13.825 703 HD2 ARG 93 HD2 ARG 93 -11.623 8.592 -13.567 704 HD3 ARG 93 HD3 ARG 93 -13.287 8.733 -14.146 705 HE ARG 93 HE ARG 93 -14.100 8.334 -11.945 706 HH11 ARG 93 HH11 ARG 93 -10.562 8.516 -11.961 707 HH12 ARG 93 HH12 ARG 93 -10.481 8.689 -10.220 708 HH21 ARG 93 HH21 ARG 93 -13.891 8.591 -9.754 709 HH22 ARG 93 HH22 ARG 93 -12.320 8.745 -9.005 710 H LYS 94 H LYS 94 -8.960 3.739 -13.703 711 HA LYS 94 HA LYS 94 -8.835 2.557 -10.968 712 HB2 LYS 94 HB2 LYS 94 -6.947 2.465 -13.360 713 HB3 LYS 94 HB3 LYS 94 -6.557 1.804 -11.770 714 HG2 LYS 94 HG2 LYS 94 -8.881 0.863 -13.492 715 HG3 LYS 94 HG3 LYS 94 -7.293 0.076 -13.383 716 HD2 LYS 94 HD2 LYS 94 -7.669 -0.051 -10.871 717 HD3 LYS 94 HD3 LYS 94 -9.348 0.416 -11.185 718 HE2 LYS 94 HE2 LYS 94 -9.620 -1.555 -12.647 719 HE3 LYS 94 HE3 LYS 94 -7.930 -2.016 -12.314 720 HZ1 LYS 94 HZ1 LYS 94 -8.606 -1.986 -9.900 721 HZ2 LYS 94 HZ2 LYS 94 -10.182 -1.927 -10.409 722 HZ3 LYS 94 HZ3 LYS 94 -9.238 -3.218 -10.807 723 H ALA 95 H ALA 95 -7.504 3.437 -9.417 724 HA ALA 95 HA ALA 95 -6.072 5.946 -10.181 725 HB1 ALA 95 HB1 ALA 95 -7.489 5.341 -7.548 726 HB2 ALA 95 HB2 ALA 95 -6.674 6.853 -7.997 727 HB3 ALA 95 HB3 ALA 95 -8.162 6.361 -8.832 728 H PHE 96 H PHE 96 -3.957 5.868 -9.660 729 HA PHE 96 HA PHE 96 -3.102 3.718 -7.779 730 HB2 PHE 96 HB2 PHE 96 -1.685 4.652 -10.289 731 HB3 PHE 96 HB3 PHE 96 -1.076 3.470 -9.123 732 HD1 PHE 96 HD1 PHE 96 -2.363 1.301 -8.775 733 HD2 PHE 96 HD2 PHE 96 -3.131 3.979 -12.055 734 HE1 PHE 96 HE1 PHE 96 -3.488 -0.547 -10.012 735 HE2 PHE 96 HE2 PHE 96 -4.236 2.133 -13.309 736 HZ PHE 96 HZ PHE 96 -4.424 -0.136 -12.280 737 H CYS 97 H CYS 97 -1.666 4.175 -6.349 738 HA CYS 97 HA CYS 97 -0.572 6.948 -6.193 739 HB2 CYS 97 HB2 CYS 97 -1.530 5.097 -3.984 740 HB3 CYS 97 HB3 CYS 97 -0.786 6.689 -3.751 741 H SER 98 H SER 98 1.416 7.141 -5.059 742 HA SER 98 HA SER 98 2.937 4.600 -4.633 743 HB2 SER 98 HB2 SER 98 3.942 7.145 -5.964 744 HB3 SER 98 HB3 SER 98 4.977 5.814 -5.416 745 HG SER 98 HG SER 98 3.957 4.438 -6.859 746 H PHE 99 H PHE 99 3.525 4.458 -2.608 747 HA PHE 99 HA PHE 99 3.881 7.003 -1.062 748 HB2 PHE 99 HB2 PHE 99 3.132 4.233 -0.066 749 HB3 PHE 99 HB3 PHE 99 3.273 5.700 0.913 750 HD1 PHE 99 HD1 PHE 99 1.755 7.736 0.043 751 HD2 PHE 99 HD2 PHE 99 1.005 3.579 -0.771 752 HE1 PHE 99 HE1 PHE 99 -0.630 8.263 -0.421 753 HE2 PHE 99 HE2 PHE 99 -1.396 4.097 -1.197 754 HZ PHE 99 HZ PHE 99 -2.219 6.444 -1.023 755 H GLN 100 H GLN 100 5.821 7.311 -0.119 756 HA GLN 100 HA GLN 100 7.776 5.043 -0.273 757 HB2 GLN 100 HB2 GLN 100 8.100 6.621 -2.151 758 HB3 GLN 100 HB3 GLN 100 8.196 7.947 -0.997 759 HG2 GLN 100 HG2 GLN 100 10.224 6.920 -0.023 760 HG3 GLN 100 HG3 GLN 100 10.166 5.693 -1.295 761 HE21 GLN 100 HE21 GLN 100 11.758 8.341 -0.435 762 HE22 GLN 100 HE22 GLN 100 12.100 9.048 -1.996 763 H ILE 101 H ILE 101 8.628 4.646 1.678 764 HA ILE 101 HA ILE 101 8.506 6.856 3.709 765 HB ILE 101 HB ILE 101 8.387 3.843 4.206 766 HG12 ILE 101 HG12 ILE 101 6.151 5.823 4.693 767 HG13 ILE 101 HG13 ILE 101 6.298 4.954 3.164 768 HG21 ILE 101 HG21 ILE 101 8.132 6.210 6.110 769 HG22 ILE 101 HG22 ILE 101 7.880 4.507 6.547 770 HG23 ILE 101 HG23 ILE 101 9.481 5.052 6.031 771 HD11 ILE 101 HD11 ILE 101 5.860 3.728 5.903 772 HD12 ILE 101 HD12 ILE 101 4.727 3.770 4.534 773 HD13 ILE 101 HD13 ILE 101 6.208 2.795 4.429 774 H TYR 102 H TYR 102 10.522 7.596 4.193 775 HA TYR 102 HA TYR 102 12.783 5.781 3.585 776 HB2 TYR 102 HB2 TYR 102 13.000 8.122 2.877 777 HB3 TYR 102 HB3 TYR 102 12.737 8.662 4.547 778 HD1 TYR 102 HD1 TYR 102 14.565 8.756 6.097 779 HD2 TYR 102 HD2 TYR 102 15.050 6.648 2.377 780 HE1 TYR 102 HE1 TYR 102 17.000 8.487 6.558 781 HE2 TYR 102 HE2 TYR 102 17.486 6.382 2.853 782 HH TYR 102 HH TYR 102 19.000 7.687 5.808 783 H ALA 103 H ALA 103 13.697 4.576 5.193 784 HA ALA 103 HA ALA 103 12.885 5.203 7.967 785 HB1 ALA 103 HB1 ALA 103 12.239 3.010 7.299 786 HB2 ALA 103 HB2 ALA 103 13.879 2.683 6.699 787 HB3 ALA 103 HB3 ALA 103 13.609 2.915 8.438 788 H VAL 104 H VAL 104 14.395 5.630 9.425 789 HA VAL 104 HA VAL 104 17.026 6.348 8.190 790 HB VAL 104 HB VAL 104 16.275 7.127 10.991 791 HG11 VAL 104 HG11 VAL 104 18.187 7.953 9.870 792 HG12 VAL 104 HG12 VAL 104 17.082 8.802 8.746 793 HG13 VAL 104 HG13 VAL 104 17.063 9.194 10.476 794 HG21 VAL 104 HG21 VAL 104 14.593 8.032 8.722 795 HG22 VAL 104 HG22 VAL 104 14.173 7.184 10.231 796 HG23 VAL 104 HG23 VAL 104 14.708 8.862 10.296 797 HA PRO 105 HA PRO 105 16.896 2.837 10.564 798 HB2 PRO 105 HB2 PRO 105 19.195 1.346 10.050 799 HB3 PRO 105 HB3 PRO 105 17.844 1.482 8.876 800 HG2 PRO 105 HG2 PRO 105 20.392 3.107 9.011 801 HG3 PRO 105 HG3 PRO 105 19.683 2.246 7.605 802 HD2 PRO 105 HD2 PRO 105 19.284 4.911 8.018 803 HD3 PRO 105 HD3 PRO 105 18.007 3.860 7.317 804 H TRP 106 H TRP 106 19.583 4.955 10.664 805 HA TRP 106 HA TRP 106 21.086 3.994 12.838 806 HB2 TRP 106 HB2 TRP 106 20.612 6.844 11.897 807 HB3 TRP 106 HB3 TRP 106 21.986 6.277 12.871 808 HD1 TRP 106 HD1 TRP 106 20.824 6.580 9.303 809 HE1 TRP 106 HE1 TRP 106 22.473 5.555 7.666 810 HE3 TRP 106 HE3 TRP 106 23.812 4.218 12.720 811 HZ2 TRP 106 HZ2 TRP 106 24.819 3.939 7.811 812 HZ3 TRP 106 HZ3 TRP 106 25.792 2.928 11.888 813 HH2 TRP 106 HH2 TRP 106 26.279 2.798 9.444 814 H GLN 107 H GLN 107 17.961 5.510 12.870 815 HA GLN 107 HA GLN 107 18.231 5.805 15.839 816 HB2 GLN 107 HB2 GLN 107 16.674 7.512 13.884 817 HB3 GLN 107 HB3 GLN 107 16.532 7.633 15.640 818 HG2 GLN 107 HG2 GLN 107 19.161 8.030 14.169 819 HG3 GLN 107 HG3 GLN 107 18.021 9.342 14.474 820 HE21 GLN 107 HE21 GLN 107 20.255 7.055 15.960 821 HE22 GLN 107 HE22 GLN 107 20.350 7.900 17.491 822 H GLY 108 H GLY 108 16.955 3.920 13.443 823 HA2 GLY 108 HA2 GLY 108 15.335 2.286 13.530 824 HA3 GLY 108 HA3 GLY 108 15.087 2.678 15.242 825 H THR 109 H THR 109 14.856 5.297 13.095 826 HA THR 109 HA THR 109 11.928 5.477 13.556 827 HB THR 109 HB THR 109 12.500 7.873 12.633 828 HG1 THR 109 HG1 THR 109 14.713 8.376 13.245 829 HG21 THR 109 HG21 THR 109 11.862 7.408 14.997 830 HG22 THR 109 HG22 THR 109 13.554 6.977 15.352 831 HG23 THR 109 HG23 THR 109 13.135 8.643 14.891 832 H MET 110 H MET 110 10.673 6.492 11.733 833 HA MET 110 HA MET 110 12.103 6.471 9.162 834 HB2 MET 110 HB2 MET 110 10.450 5.034 8.040 835 HB3 MET 110 HB3 MET 110 11.061 4.137 9.429 836 HG2 MET 110 HG2 MET 110 9.009 4.736 10.690 837 HG3 MET 110 HG3 MET 110 8.396 5.567 9.245 838 HE1 MET 110 HE1 MET 110 6.081 2.552 8.899 839 HE2 MET 110 HE2 MET 110 6.447 3.544 10.332 840 HE3 MET 110 HE3 MET 110 6.285 4.311 8.736 841 H THR 111 H THR 111 10.807 7.658 7.512 842 HA THR 111 HA THR 111 8.512 9.247 8.571 843 HB THR 111 HB THR 111 10.946 10.372 7.120 844 HG1 THR 111 HG1 THR 111 10.171 10.337 9.842 845 HG21 THR 111 HG21 THR 111 8.483 11.679 8.298 846 HG22 THR 111 HG22 THR 111 9.943 12.557 7.791 847 HG23 THR 111 HG23 THR 111 9.001 11.649 6.589 848 H LEU 112 H LEU 112 6.924 9.594 6.940 849 HA LEU 112 HA LEU 112 7.171 8.255 4.438 850 HB2 LEU 112 HB2 LEU 112 5.048 8.821 5.659 851 HB3 LEU 112 HB3 LEU 112 5.315 10.515 5.270 852 HG LEU 112 HG LEU 112 5.098 9.906 2.827 853 HD11 LEU 112 HD11 LEU 112 4.057 7.689 2.375 854 HD12 LEU 112 HD12 LEU 112 5.702 7.557 3.024 855 HD13 LEU 112 HD13 LEU 112 4.317 7.258 4.091 856 HD21 LEU 112 HD21 LEU 112 2.825 9.271 4.761 857 HD22 LEU 112 HD22 LEU 112 3.202 10.843 4.025 858 HD23 LEU 112 HD23 LEU 112 2.607 9.509 3.017 859 H SER 113 H SER 113 8.561 8.839 2.920 860 HA SER 113 HA SER 113 9.654 11.555 2.794 861 HB2 SER 113 HB2 SER 113 11.088 9.586 2.525 862 HB3 SER 113 HB3 SER 113 10.113 9.042 1.146 863 HG SER 113 HG SER 113 10.867 11.565 0.709 864 H LYS 114 H LYS 114 7.283 9.606 1.035 865 HA LYS 114 HA LYS 114 6.514 11.988 -0.507 866 HB2 LYS 114 HB2 LYS 114 7.821 11.445 -2.279 867 HB3 LYS 114 HB3 LYS 114 8.136 9.836 -1.675 868 HG2 LYS 114 HG2 LYS 114 5.710 9.266 -2.585 869 HG3 LYS 114 HG3 LYS 114 5.916 10.746 -3.533 870 HD2 LYS 114 HD2 LYS 114 7.819 8.381 -3.494 871 HD3 LYS 114 HD3 LYS 114 6.557 8.620 -4.704 872 HE2 LYS 114 HE2 LYS 114 7.626 10.583 -5.558 873 HE3 LYS 114 HE3 LYS 114 8.773 10.628 -4.193 874 HZ1 LYS 114 HZ1 LYS 114 9.787 9.631 -6.146 875 HZ2 LYS 114 HZ2 LYS 114 9.672 8.516 -4.930 876 HZ3 LYS 114 HZ3 LYS 114 8.623 8.462 -6.207 877 H SER 115 H SER 115 4.416 11.921 -1.130 878 HA SER 115 HA SER 115 2.982 9.344 -1.173 879 HB2 SER 115 HB2 SER 115 1.075 10.411 0.074 880 HB3 SER 115 HB3 SER 115 2.508 10.131 1.080 881 HG SER 115 HG SER 115 1.907 12.594 -0.201 882 H THR 116 H THR 116 2.277 9.343 -3.226 883 HA THR 116 HA THR 116 1.088 11.889 -4.252 884 HB THR 116 HB THR 116 3.379 11.579 -5.274 885 HG1 THR 116 HG1 THR 116 1.885 12.647 -6.515 886 HG21 THR 116 HG21 THR 116 2.154 9.085 -6.487 887 HG22 THR 116 HG22 THR 116 3.718 9.812 -6.916 888 HG23 THR 116 HG23 THR 116 3.475 9.136 -5.293 889 H CYS 117 H CYS 117 -0.709 11.488 -5.705 890 HA CYS 117 HA CYS 117 -1.679 8.714 -5.791 891 HB2 CYS 117 HB2 CYS 117 -2.581 10.782 -3.886 892 HB3 CYS 117 HB3 CYS 117 -3.890 10.048 -4.804 893 H GLN 118 H GLN 118 -3.844 8.552 -6.719 894 HA GLN 118 HA GLN 118 -4.433 10.701 -8.722 895 HB2 GLN 118 HB2 GLN 118 -4.424 7.676 -8.940 896 HB3 GLN 118 HB3 GLN 118 -5.404 8.684 -10.028 897 HG2 GLN 118 HG2 GLN 118 -3.330 9.900 -10.698 898 HG3 GLN 118 HG3 GLN 118 -2.391 8.761 -9.723 899 HE21 GLN 118 HE21 GLN 118 -2.742 9.393 -12.725 900 HE22 GLN 118 HE22 GLN 118 -2.928 7.808 -13.436 901 H ASP 119 H ASP 119 -6.749 10.774 -9.304 902 HA ASP 119 HA ASP 119 -8.381 11.002 -7.014 903 HB2 ASP 119 HB2 ASP 119 -9.178 10.761 -9.934 904 HB3 ASP 119 HB3 ASP 119 -10.195 11.402 -8.634 905 H ALA 120 H ALA 120 -9.178 9.420 -5.786 906 HA ALA 120 HA ALA 120 -9.820 6.786 -6.838 907 HB1 ALA 120 HB1 ALA 120 -10.410 8.018 -4.100 908 HB2 ALA 120 HB2 ALA 120 -10.467 6.291 -4.513 909 HB3 ALA 120 HB3 ALA 120 -8.913 7.154 -4.531 Start of MODEL 8 1 H1 SER 1 H1 SER 1 27.996 -7.376 24.425 2 H2 SER 1 H2 SER 1 28.409 -5.984 25.137 3 H3 SER 1 H3 SER 1 29.013 -6.359 23.685 4 HA SER 1 HA SER 1 26.176 -5.801 24.261 5 HB2 SER 1 HB2 SER 1 27.858 -3.846 24.244 6 HB3 SER 1 HB3 SER 1 28.045 -4.173 22.506 7 HG SER 1 HG SER 1 26.427 -2.604 22.902 8 H SER 2 H SER 2 25.089 -5.248 21.995 9 HA SER 2 HA SER 2 25.234 -7.654 20.427 10 HB2 SER 2 HB2 SER 2 24.000 -4.959 19.719 11 HB3 SER 2 HB3 SER 2 23.567 -6.542 19.034 12 HG SER 2 HG SER 2 22.114 -5.957 20.679 13 HA PRO 3 HA PRO 3 28.427 -6.365 17.696 14 HB2 PRO 3 HB2 PRO 3 27.811 -7.499 15.291 15 HB3 PRO 3 HB3 PRO 3 28.358 -8.476 16.695 16 HG2 PRO 3 HG2 PRO 3 25.548 -7.939 15.741 17 HG3 PRO 3 HG3 PRO 3 26.320 -9.508 16.141 18 HD2 PRO 3 HD2 PRO 3 24.755 -8.204 17.919 19 HD3 PRO 3 HD3 PRO 3 26.224 -9.095 18.450 20 H GLY 4 H GLY 4 28.910 -4.724 16.213 21 HA2 GLY 4 HA2 GLY 4 26.666 -2.950 15.584 22 HA3 GLY 4 HA3 GLY 4 28.389 -2.603 15.396 23 H LYS 5 H LYS 5 26.760 -5.463 14.040 24 HA LYS 5 HA LYS 5 26.643 -4.251 11.373 25 HB2 LYS 5 HB2 LYS 5 28.194 -5.817 10.326 26 HB3 LYS 5 HB3 LYS 5 29.028 -4.865 11.557 27 HG2 LYS 5 HG2 LYS 5 28.706 -6.840 13.145 28 HG3 LYS 5 HG3 LYS 5 28.179 -7.780 11.740 29 HD2 LYS 5 HD2 LYS 5 30.866 -6.360 11.976 30 HD3 LYS 5 HD3 LYS 5 30.597 -8.075 12.336 31 HE2 LYS 5 HE2 LYS 5 29.801 -8.412 9.989 32 HE3 LYS 5 HE3 LYS 5 30.201 -6.717 9.639 33 HZ1 LYS 5 HZ1 LYS 5 32.135 -8.785 10.520 34 HZ2 LYS 5 HZ2 LYS 5 31.990 -8.200 8.985 35 HZ3 LYS 5 HZ3 LYS 5 32.507 -7.210 10.199 36 HA PRO 6 HA PRO 6 23.513 -7.378 11.288 37 HB2 PRO 6 HB2 PRO 6 22.926 -7.567 8.635 38 HB3 PRO 6 HB3 PRO 6 22.561 -6.077 9.564 39 HG2 PRO 6 HG2 PRO 6 24.935 -6.694 7.833 40 HG3 PRO 6 HG3 PRO 6 23.847 -5.272 7.783 41 HD2 PRO 6 HD2 PRO 6 26.229 -5.216 9.080 42 HD3 PRO 6 HD3 PRO 6 24.792 -4.336 9.708 43 HA PRO 7 HA PRO 7 25.683 -11.109 10.326 44 HB2 PRO 7 HB2 PRO 7 23.793 -12.953 9.673 45 HB3 PRO 7 HB3 PRO 7 23.921 -12.274 11.329 46 HG2 PRO 7 HG2 PRO 7 22.103 -11.425 9.080 47 HG3 PRO 7 HG3 PRO 7 21.679 -11.842 10.773 48 HD2 PRO 7 HD2 PRO 7 22.015 -9.274 9.989 49 HD3 PRO 7 HD3 PRO 7 22.561 -9.833 11.609 50 H ARG 8 H ARG 8 23.813 -9.573 7.865 51 HA ARG 8 HA ARG 8 25.385 -10.987 5.758 52 HB2 ARG 8 HB2 ARG 8 23.005 -11.813 5.850 53 HB3 ARG 8 HB3 ARG 8 22.459 -10.158 5.593 54 HG2 ARG 8 HG2 ARG 8 22.292 -11.131 3.480 55 HG3 ARG 8 HG3 ARG 8 23.802 -10.219 3.405 56 HD2 ARG 8 HD2 ARG 8 24.234 -12.344 2.401 57 HD3 ARG 8 HD3 ARG 8 25.013 -12.386 3.994 58 HE ARG 8 HE ARG 8 22.374 -13.418 4.239 59 HH11 ARG 8 HH11 ARG 8 25.443 -14.362 2.768 60 HH12 ARG 8 HH12 ARG 8 25.081 -16.063 2.887 61 HH21 ARG 8 HH21 ARG 8 21.985 -15.604 4.356 62 HH22 ARG 8 HH22 ARG 8 23.160 -16.748 3.771 63 H LEU 9 H LEU 9 26.747 -9.419 5.039 64 HA LEU 9 HA LEU 9 25.650 -6.676 4.705 65 HB2 LEU 9 HB2 LEU 9 28.544 -7.592 4.843 66 HB3 LEU 9 HB3 LEU 9 28.021 -5.952 4.488 67 HG LEU 9 HG LEU 9 26.913 -6.000 6.829 68 HD11 LEU 9 HD11 LEU 9 28.116 -7.382 8.479 69 HD12 LEU 9 HD12 LEU 9 27.235 -8.390 7.335 70 HD13 LEU 9 HD13 LEU 9 28.994 -8.203 7.163 71 HD21 LEU 9 HD21 LEU 9 28.809 -4.588 6.171 72 HD22 LEU 9 HD22 LEU 9 29.020 -5.198 7.822 73 HD23 LEU 9 HD23 LEU 9 29.935 -5.930 6.478 74 H VAL 10 H VAL 10 24.412 -7.789 3.254 75 HA VAL 10 HA VAL 10 25.574 -6.929 0.720 76 HB VAL 10 HB VAL 10 24.058 -9.508 0.618 77 HG11 VAL 10 HG11 VAL 10 25.606 -9.755 -1.231 78 HG12 VAL 10 HG12 VAL 10 24.693 -8.225 -1.238 79 HG13 VAL 10 HG13 VAL 10 26.384 -8.237 -0.673 80 HG21 VAL 10 HG21 VAL 10 27.045 -9.518 1.341 81 HG22 VAL 10 HG22 VAL 10 25.731 -10.121 2.379 82 HG23 VAL 10 HG23 VAL 10 26.087 -10.929 0.843 83 H GLY 11 H GLY 11 23.832 -6.064 -0.542 84 HA2 GLY 11 HA2 GLY 11 21.109 -6.744 -0.118 85 HA3 GLY 11 HA3 GLY 11 21.497 -5.306 0.852 86 H GLY 12 H GLY 12 19.659 -4.886 -1.009 87 HA2 GLY 12 HA2 GLY 12 20.639 -2.811 -2.619 88 HA3 GLY 12 HA3 GLY 12 20.569 -4.282 -3.642 89 HA PRO 13 HA PRO 13 16.272 -2.745 -2.777 90 HB2 PRO 13 HB2 PRO 13 15.295 -2.149 -5.241 91 HB3 PRO 13 HB3 PRO 13 16.229 -0.962 -4.272 92 HG2 PRO 13 HG2 PRO 13 17.186 -2.762 -6.495 93 HG3 PRO 13 HG3 PRO 13 17.467 -1.007 -6.266 94 HD2 PRO 13 HD2 PRO 13 19.296 -2.908 -5.539 95 HD3 PRO 13 HD3 PRO 13 19.100 -1.364 -4.636 96 H MET 14 H MET 14 14.645 -4.210 -2.657 97 HA MET 14 HA MET 14 14.356 -6.249 -4.777 98 HB2 MET 14 HB2 MET 14 14.518 -8.129 -3.267 99 HB3 MET 14 HB3 MET 14 16.013 -7.192 -3.156 100 HG2 MET 14 HG2 MET 14 15.140 -6.122 -1.071 101 HG3 MET 14 HG3 MET 14 13.716 -7.176 -1.171 102 HE1 MET 14 HE1 MET 14 13.872 -8.500 1.009 103 HE2 MET 14 HE2 MET 14 15.406 -9.039 1.731 104 HE3 MET 14 HE3 MET 14 15.099 -7.302 1.495 105 H ASP 15 H ASP 15 12.271 -7.223 -4.765 106 HA ASP 15 HA ASP 15 10.239 -5.670 -3.315 107 HB2 ASP 15 HB2 ASP 15 10.213 -7.741 -5.504 108 HB3 ASP 15 HB3 ASP 15 8.765 -7.532 -4.509 109 H ALA 16 H ALA 16 8.899 -6.535 -1.723 110 HA ALA 16 HA ALA 16 9.527 -9.313 -0.701 111 HB1 ALA 16 HB1 ALA 16 10.398 -7.684 0.889 112 HB2 ALA 16 HB2 ALA 16 8.813 -6.874 0.933 113 HB3 ALA 16 HB3 ALA 16 8.979 -8.522 1.550 114 H SER 17 H SER 17 7.659 -10.320 0.326 115 HA SER 17 HA SER 17 5.290 -9.967 -1.319 116 HB2 SER 17 HB2 SER 17 5.280 -11.490 1.279 117 HB3 SER 17 HB3 SER 17 4.488 -11.889 -0.257 118 HG SER 17 HG SER 17 7.106 -12.321 0.610 119 H VAL 18 H VAL 18 3.126 -9.432 -0.473 120 HA VAL 18 HA VAL 18 3.182 -7.022 1.061 121 HB VAL 18 HB VAL 18 0.751 -7.046 0.905 122 HG11 VAL 18 HG11 VAL 18 1.869 -8.288 -1.637 123 HG12 VAL 18 HG12 VAL 18 0.490 -7.179 -1.488 124 HG13 VAL 18 HG13 VAL 18 2.134 -6.596 -1.152 125 HG21 VAL 18 HG21 VAL 18 -0.478 -9.008 -0.047 126 HG22 VAL 18 HG22 VAL 18 1.015 -9.968 0.021 127 HG23 VAL 18 HG23 VAL 18 0.261 -9.378 1.521 128 H GLU 19 H GLU 19 3.134 -10.290 1.985 129 HA GLU 19 HA GLU 19 1.898 -9.816 4.579 130 HB2 GLU 19 HB2 GLU 19 3.111 -12.186 3.166 131 HB3 GLU 19 HB3 GLU 19 2.584 -12.252 4.865 132 HG2 GLU 19 HG2 GLU 19 0.339 -11.420 4.112 133 HG3 GLU 19 HG3 GLU 19 0.879 -11.642 2.438 134 H GLU 20 H GLU 20 5.114 -9.591 3.248 135 HA GLU 20 HA GLU 20 6.470 -10.255 5.601 136 HB2 GLU 20 HB2 GLU 20 7.281 -8.707 3.241 137 HB3 GLU 20 HB3 GLU 20 8.184 -8.410 4.732 138 HG2 GLU 20 HG2 GLU 20 9.299 -10.084 3.831 139 HG3 GLU 20 HG3 GLU 20 8.202 -10.837 5.029 140 H GLU 21 H GLU 21 7.609 -9.400 7.066 141 HA GLU 21 HA GLU 21 6.138 -7.749 8.560 142 HB2 GLU 21 HB2 GLU 21 9.094 -8.234 8.739 143 HB3 GLU 21 HB3 GLU 21 8.168 -7.421 10.007 144 HG2 GLU 21 HG2 GLU 21 6.768 -9.464 10.240 145 HG3 GLU 21 HG3 GLU 21 7.826 -10.279 9.069 146 H GLY 22 H GLY 22 8.840 -6.985 6.504 147 HA2 GLY 22 HA2 GLY 22 8.992 -4.201 7.216 148 HA3 GLY 22 HA3 GLY 22 9.745 -4.972 5.814 149 H VAL 23 H VAL 23 6.867 -5.968 5.007 150 HA VAL 23 HA VAL 23 6.215 -3.480 3.575 151 HB VAL 23 HB VAL 23 5.078 -6.296 3.334 152 HG11 VAL 23 HG11 VAL 23 3.374 -4.844 2.612 153 HG12 VAL 23 HG12 VAL 23 4.520 -3.716 1.843 154 HG13 VAL 23 HG13 VAL 23 4.213 -5.312 1.131 155 HG21 VAL 23 HG21 VAL 23 7.384 -6.188 2.579 156 HG22 VAL 23 HG22 VAL 23 6.323 -6.274 1.169 157 HG23 VAL 23 HG23 VAL 23 7.038 -4.715 1.628 158 H ARG 24 H ARG 24 4.620 -5.829 5.821 159 HA ARG 24 HA ARG 24 2.082 -4.624 5.838 160 HB2 ARG 24 HB2 ARG 24 3.548 -5.958 8.138 161 HB3 ARG 24 HB3 ARG 24 1.820 -5.580 8.115 162 HG2 ARG 24 HG2 ARG 24 1.642 -7.043 6.033 163 HG3 ARG 24 HG3 ARG 24 3.299 -7.565 6.372 164 HD2 ARG 24 HD2 ARG 24 2.271 -9.181 7.569 165 HD3 ARG 24 HD3 ARG 24 2.222 -7.928 8.817 166 HE ARG 24 HE ARG 24 -0.089 -7.504 8.272 167 HH11 ARG 24 HH11 ARG 24 1.215 -10.357 6.636 168 HH12 ARG 24 HH12 ARG 24 -0.371 -10.985 6.267 169 HH21 ARG 24 HH21 ARG 24 -2.073 -8.370 7.767 170 HH22 ARG 24 HH22 ARG 24 -2.190 -9.884 6.910 171 H ARG 25 H ARG 25 4.916 -3.733 7.837 172 HA ARG 25 HA ARG 25 3.460 -1.765 9.342 173 HB2 ARG 25 HB2 ARG 25 5.632 -0.890 9.966 174 HB3 ARG 25 HB3 ARG 25 5.567 -2.644 10.117 175 HG2 ARG 25 HG2 ARG 25 7.591 -2.601 9.120 176 HG3 ARG 25 HG3 ARG 25 6.672 -2.420 7.622 177 HD2 ARG 25 HD2 ARG 25 8.477 -0.762 7.716 178 HD3 ARG 25 HD3 ARG 25 6.903 0.042 7.777 179 HE ARG 25 HE ARG 25 7.279 0.690 9.986 180 HH11 ARG 25 HH11 ARG 25 9.985 -1.313 8.914 181 HH12 ARG 25 HH12 ARG 25 10.966 -0.864 10.282 182 HH21 ARG 25 HH21 ARG 25 8.598 1.222 11.678 183 HH22 ARG 25 HH22 ARG 25 10.198 0.549 11.811 184 H ALA 26 H ALA 26 4.776 -1.616 6.149 185 HA ALA 26 HA ALA 26 4.785 1.279 6.003 186 HB1 ALA 26 HB1 ALA 26 6.519 -0.029 4.778 187 HB2 ALA 26 HB2 ALA 26 5.242 -0.873 3.869 188 HB3 ALA 26 HB3 ALA 26 5.477 0.873 3.652 189 H LEU 27 H LEU 27 2.860 -1.576 5.105 190 HA LEU 27 HA LEU 27 1.011 -0.287 3.381 191 HB2 LEU 27 HB2 LEU 27 0.457 -2.532 5.383 192 HB3 LEU 27 HB3 LEU 27 -0.578 -2.062 4.061 193 HG LEU 27 HG LEU 27 2.014 -3.606 3.929 194 HD11 LEU 27 HD11 LEU 27 0.605 -5.276 2.870 195 HD12 LEU 27 HD12 LEU 27 -0.096 -4.814 4.433 196 HD13 LEU 27 HD13 LEU 27 -0.798 -4.181 2.924 197 HD21 LEU 27 HD21 LEU 27 2.159 -2.012 2.210 198 HD22 LEU 27 HD22 LEU 27 1.662 -3.556 1.490 199 HD23 LEU 27 HD23 LEU 27 0.458 -2.268 1.732 200 H ASP 28 H ASP 28 0.642 -1.065 6.881 201 HA ASP 28 HA ASP 28 -1.862 0.426 6.926 202 HB2 ASP 28 HB2 ASP 28 -0.043 -0.883 8.994 203 HB3 ASP 28 HB3 ASP 28 -1.379 0.165 9.511 204 H PHE 29 H PHE 29 1.530 1.225 7.437 205 HA PHE 29 HA PHE 29 0.967 3.710 8.807 206 HB2 PHE 29 HB2 PHE 29 3.157 2.628 8.870 207 HB3 PHE 29 HB3 PHE 29 3.331 2.844 7.124 208 HD1 PHE 29 HD1 PHE 29 3.285 4.547 10.417 209 HD2 PHE 29 HD2 PHE 29 3.867 5.036 6.184 210 HE1 PHE 29 HE1 PHE 29 4.291 6.794 10.816 211 HE2 PHE 29 HE2 PHE 29 4.870 7.263 6.579 212 HZ PHE 29 HZ PHE 29 5.086 8.160 8.887 213 H ALA 30 H ALA 30 1.510 2.761 5.331 214 HA ALA 30 HA ALA 30 1.336 5.493 4.389 215 HB1 ALA 30 HB1 ALA 30 0.639 4.460 2.198 216 HB2 ALA 30 HB2 ALA 30 2.122 3.772 2.903 217 HB3 ALA 30 HB3 ALA 30 0.563 2.882 3.011 218 H VAL 31 H VAL 31 -1.476 3.220 4.944 219 HA VAL 31 HA VAL 31 -3.469 5.109 4.029 220 HB VAL 31 HB VAL 31 -4.053 2.763 5.742 221 HG11 VAL 31 HG11 VAL 31 -5.100 3.722 3.172 222 HG12 VAL 31 HG12 VAL 31 -5.610 2.238 4.030 223 HG13 VAL 31 HG13 VAL 31 -5.827 3.802 4.803 224 HG21 VAL 31 HG21 VAL 31 -2.631 2.565 3.180 225 HG22 VAL 31 HG22 VAL 31 -2.341 1.864 4.779 226 HG23 VAL 31 HG23 VAL 31 -3.671 1.248 3.815 227 H GLY 32 H GLY 32 -1.716 4.152 6.821 228 HA2 GLY 32 HA2 GLY 32 -3.396 5.309 8.754 229 HA3 GLY 32 HA3 GLY 32 -1.624 5.201 8.855 230 H GLU 33 H GLU 33 -1.140 6.402 6.288 231 HA GLU 33 HA GLU 33 -1.290 9.214 7.310 232 HB2 GLU 33 HB2 GLU 33 0.754 7.950 6.322 233 HB3 GLU 33 HB3 GLU 33 0.023 8.318 4.754 234 HG2 GLU 33 HG2 GLU 33 1.122 10.186 4.878 235 HG3 GLU 33 HG3 GLU 33 -0.153 10.660 6.000 236 H TYR 34 H TYR 34 -2.662 7.259 4.909 237 HA TYR 34 HA TYR 34 -3.565 9.555 3.423 238 HB2 TYR 34 HB2 TYR 34 -2.842 7.509 2.194 239 HB3 TYR 34 HB3 TYR 34 -4.294 6.688 2.788 240 HD1 TYR 34 HD1 TYR 34 -3.014 9.372 0.562 241 HD2 TYR 34 HD2 TYR 34 -6.524 7.256 1.893 242 HE1 TYR 34 HE1 TYR 34 -4.340 10.379 -1.299 243 HE2 TYR 34 HE2 TYR 34 -7.836 8.281 0.042 244 HH TYR 34 HH TYR 34 -6.389 10.546 -2.302 245 H ASN 35 H ASN 35 -5.193 6.786 4.695 246 HA ASN 35 HA ASN 35 -7.655 8.221 5.049 247 HB2 ASN 35 HB2 ASN 35 -6.858 5.436 4.683 248 HB3 ASN 35 HB3 ASN 35 -8.070 5.619 5.992 249 HD21 ASN 35 HD21 ASN 35 -8.372 8.149 3.707 250 HD22 ASN 35 HD22 ASN 35 -9.636 7.424 2.755 251 H LYS 36 H LYS 36 -5.631 6.495 7.398 252 HA LYS 36 HA LYS 36 -7.488 7.244 9.501 253 HB2 LYS 36 HB2 LYS 36 -5.897 5.507 9.875 254 HB3 LYS 36 HB3 LYS 36 -4.600 6.534 9.338 255 HG2 LYS 36 HG2 LYS 36 -6.072 7.430 11.777 256 HG3 LYS 36 HG3 LYS 36 -5.000 6.027 11.939 257 HD2 LYS 36 HD2 LYS 36 -3.102 7.269 11.708 258 HD3 LYS 36 HD3 LYS 36 -3.797 8.255 10.422 259 HE2 LYS 36 HE2 LYS 36 -3.215 9.588 12.432 260 HE3 LYS 36 HE3 LYS 36 -4.916 9.704 11.963 261 HZ1 LYS 36 HZ1 LYS 36 -3.882 8.007 14.145 262 HZ2 LYS 36 HZ2 LYS 36 -4.658 9.452 14.333 263 HZ3 LYS 36 HZ3 LYS 36 -5.466 8.160 13.705 264 H ALA 37 H ALA 37 -5.040 8.920 7.648 265 HA ALA 37 HA ALA 37 -4.730 11.070 9.583 266 HB1 ALA 37 HB1 ALA 37 -3.238 12.013 8.103 267 HB2 ALA 37 HB2 ALA 37 -3.006 10.255 7.953 268 HB3 ALA 37 HB3 ALA 37 -3.949 11.143 6.729 269 H SER 38 H SER 38 -6.631 10.501 6.625 270 HA SER 38 HA SER 38 -7.482 13.347 6.574 271 HB2 SER 38 HB2 SER 38 -8.060 11.107 4.617 272 HB3 SER 38 HB3 SER 38 -8.524 12.809 4.421 273 HG SER 38 HG SER 38 -6.017 11.592 4.256 274 H ASN 39 H ASN 39 -9.650 13.985 6.233 275 HA ASN 39 HA ASN 39 -11.601 12.352 7.779 276 HB2 ASN 39 HB2 ASN 39 -11.098 14.843 8.220 277 HB3 ASN 39 HB3 ASN 39 -11.954 15.156 6.702 278 HD21 ASN 39 HD21 ASN 39 -13.986 15.739 7.021 279 HD22 ASN 39 HD22 ASN 39 -15.021 15.167 8.306 280 H ASP 40 H ASP 40 -11.104 11.134 5.467 281 HA ASP 40 HA ASP 40 -12.620 12.094 3.204 282 HB2 ASP 40 HB2 ASP 40 -10.704 10.412 3.144 283 HB3 ASP 40 HB3 ASP 40 -11.836 9.212 3.784 284 H MET 41 H MET 41 -14.730 11.976 2.822 285 HA MET 41 HA MET 41 -16.551 10.951 4.848 286 HB2 MET 41 HB2 MET 41 -17.055 12.032 2.050 287 HB3 MET 41 HB3 MET 41 -18.305 11.712 3.259 288 HG2 MET 41 HG2 MET 41 -16.044 13.711 3.589 289 HG3 MET 41 HG3 MET 41 -17.696 14.111 3.091 290 HE1 MET 41 HE1 MET 41 -16.071 15.349 5.626 291 HE2 MET 41 HE2 MET 41 -17.694 15.896 5.134 292 HE3 MET 41 HE3 MET 41 -17.385 15.431 6.825 293 H TYR 42 H TYR 42 -14.931 9.591 2.182 294 HA TYR 42 HA TYR 42 -16.849 7.281 2.125 295 HB2 TYR 42 HB2 TYR 42 -14.989 8.191 -0.094 296 HB3 TYR 42 HB3 TYR 42 -16.241 6.945 -0.186 297 HD1 TYR 42 HD1 TYR 42 -15.482 10.521 -0.406 298 HD2 TYR 42 HD2 TYR 42 -18.685 7.652 -0.179 299 HE1 TYR 42 HE1 TYR 42 -17.091 12.244 -1.219 300 HE2 TYR 42 HE2 TYR 42 -20.286 9.385 -1.003 301 HH TYR 42 HH TYR 42 -19.256 12.719 -1.755 302 H HIS 43 H HIS 43 -15.546 5.190 1.674 303 HA HIS 43 HA HIS 43 -12.966 5.442 3.113 304 HB2 HIS 43 HB2 HIS 43 -13.914 2.864 1.886 305 HB3 HIS 43 HB3 HIS 43 -12.997 3.126 3.364 306 HD1 HIS 43 HD1 HIS 43 -16.383 2.482 2.091 307 HD2 HIS 43 HD2 HIS 43 -14.703 4.087 5.541 308 HE1 HIS 43 HE1 HIS 43 -18.182 2.437 3.863 309 H SER 44 H SER 44 -11.242 6.200 1.726 310 HA SER 44 HA SER 44 -10.848 4.322 -0.585 311 HB2 SER 44 HB2 SER 44 -9.658 7.071 -0.675 312 HB3 SER 44 HB3 SER 44 -10.184 6.034 -2.016 313 HG SER 44 HG SER 44 -11.675 7.761 -0.337 314 H ARG 45 H ARG 45 -8.919 3.335 -0.416 315 HA ARG 45 HA ARG 45 -6.838 4.122 1.446 316 HB2 ARG 45 HB2 ARG 45 -7.174 1.945 2.657 317 HB3 ARG 45 HB3 ARG 45 -8.538 3.032 2.897 318 HG2 ARG 45 HG2 ARG 45 -9.911 1.760 1.350 319 HG3 ARG 45 HG3 ARG 45 -8.521 0.772 0.853 320 HD2 ARG 45 HD2 ARG 45 -8.314 -0.100 3.148 321 HD3 ARG 45 HD3 ARG 45 -9.723 0.852 3.641 322 HE ARG 45 HE ARG 45 -9.691 -1.564 1.925 323 HH11 ARG 45 HH11 ARG 45 -11.663 0.969 3.419 324 HH12 ARG 45 HH12 ARG 45 -13.149 0.080 3.152 325 HH21 ARG 45 HH21 ARG 45 -11.642 -2.611 1.637 326 HH22 ARG 45 HH22 ARG 45 -13.130 -1.871 2.186 327 H ALA 46 H ALA 46 -5.179 2.303 1.327 328 HA ALA 46 HA ALA 46 -4.605 1.462 -1.310 329 HB1 ALA 46 HB1 ALA 46 -2.818 1.431 0.360 330 HB2 ALA 46 HB2 ALA 46 -3.773 0.414 1.468 331 HB3 ALA 46 HB3 ALA 46 -3.116 -0.273 -0.073 332 H LEU 47 H LEU 47 -6.243 0.422 -2.441 333 HA LEU 47 HA LEU 47 -7.934 -1.644 -1.254 334 HB2 LEU 47 HB2 LEU 47 -7.382 -0.610 -4.035 335 HB3 LEU 47 HB3 LEU 47 -8.114 -2.187 -3.865 336 HG LEU 47 HG LEU 47 -10.101 -1.239 -2.946 337 HD11 LEU 47 HD11 LEU 47 -10.370 1.219 -2.930 338 HD12 LEU 47 HD12 LEU 47 -9.289 0.602 -1.670 339 HD13 LEU 47 HD13 LEU 47 -8.610 1.369 -3.117 340 HD21 LEU 47 HD21 LEU 47 -10.757 -0.217 -5.045 341 HD22 LEU 47 HD22 LEU 47 -9.086 0.309 -5.376 342 HD23 LEU 47 HD23 LEU 47 -9.489 -1.421 -5.407 343 H GLN 48 H GLN 48 -5.185 -1.515 -3.450 344 HA GLN 48 HA GLN 48 -4.575 -4.335 -2.899 345 HB2 GLN 48 HB2 GLN 48 -6.295 -4.146 -4.772 346 HB3 GLN 48 HB3 GLN 48 -5.115 -3.209 -5.684 347 HG2 GLN 48 HG2 GLN 48 -5.082 -5.543 -6.418 348 HG3 GLN 48 HG3 GLN 48 -3.543 -5.130 -5.650 349 HE21 GLN 48 HE21 GLN 48 -6.605 -6.846 -5.255 350 HE22 GLN 48 HE22 GLN 48 -6.046 -7.881 -3.954 351 H VAL 49 H VAL 49 -2.413 -4.574 -2.837 352 HA VAL 49 HA VAL 49 -0.787 -2.276 -3.603 353 HB VAL 49 HB VAL 49 -0.290 -4.736 -1.980 354 HG11 VAL 49 HG11 VAL 49 1.940 -3.224 -3.392 355 HG12 VAL 49 HG12 VAL 49 2.149 -4.398 -2.080 356 HG13 VAL 49 HG13 VAL 49 1.515 -4.938 -3.638 357 HG21 VAL 49 HG21 VAL 49 -0.768 -2.474 -0.987 358 HG22 VAL 49 HG22 VAL 49 0.841 -3.070 -0.545 359 HG23 VAL 49 HG23 VAL 49 0.679 -1.792 -1.801 360 H VAL 50 H VAL 50 0.324 -2.041 -5.396 361 HA VAL 50 HA VAL 50 0.056 -4.133 -7.463 362 HB VAL 50 HB VAL 50 1.415 -1.391 -7.637 363 HG11 VAL 50 HG11 VAL 50 2.034 -3.018 -9.435 364 HG12 VAL 50 HG12 VAL 50 0.314 -3.227 -9.822 365 HG13 VAL 50 HG13 VAL 50 1.099 -1.649 -10.070 366 HG21 VAL 50 HG21 VAL 50 -0.695 -0.648 -8.738 367 HG22 VAL 50 HG22 VAL 50 -1.447 -2.190 -8.266 368 HG23 VAL 50 HG23 VAL 50 -0.903 -1.041 -7.024 369 H ARG 51 H ARG 51 2.540 -2.336 -5.613 370 HA ARG 51 HA ARG 51 4.481 -4.556 -6.074 371 HB2 ARG 51 HB2 ARG 51 5.231 -1.630 -6.427 372 HB3 ARG 51 HB3 ARG 51 6.275 -3.022 -6.643 373 HG2 ARG 51 HG2 ARG 51 3.921 -2.321 -8.427 374 HG3 ARG 51 HG3 ARG 51 5.608 -1.938 -8.776 375 HD2 ARG 51 HD2 ARG 51 6.177 -4.311 -8.820 376 HD3 ARG 51 HD3 ARG 51 4.526 -4.726 -8.356 377 HE ARG 51 HE ARG 51 4.684 -3.153 -10.793 378 HH11 ARG 51 HH11 ARG 51 4.640 -6.423 -9.471 379 HH12 ARG 51 HH12 ARG 51 4.141 -7.132 -10.984 380 HH21 ARG 51 HH21 ARG 51 4.032 -4.126 -12.692 381 HH22 ARG 51 HH22 ARG 51 3.793 -5.850 -12.768 382 H ALA 52 H ALA 52 5.984 -4.721 -4.347 383 HA ALA 52 HA ALA 52 5.789 -2.688 -2.190 384 HB1 ALA 52 HB1 ALA 52 5.156 -5.661 -1.914 385 HB2 ALA 52 HB2 ALA 52 5.586 -4.614 -0.547 386 HB3 ALA 52 HB3 ALA 52 4.122 -4.278 -1.477 387 H ARG 53 H ARG 53 7.887 -2.067 -2.277 388 HA ARG 53 HA ARG 53 9.858 -4.279 -1.975 389 HB2 ARG 53 HB2 ARG 53 11.276 -3.349 -3.710 390 HB3 ARG 53 HB3 ARG 53 9.710 -3.805 -4.344 391 HG2 ARG 53 HG2 ARG 53 9.935 -1.075 -3.468 392 HG3 ARG 53 HG3 ARG 53 10.975 -1.510 -4.819 393 HD2 ARG 53 HD2 ARG 53 7.973 -1.886 -4.683 394 HD3 ARG 53 HD3 ARG 53 8.817 -0.597 -5.557 395 HE ARG 53 HE ARG 53 9.402 -3.462 -6.192 396 HH11 ARG 53 HH11 ARG 53 8.025 -0.375 -7.302 397 HH12 ARG 53 HH12 ARG 53 8.039 -0.892 -8.964 398 HH21 ARG 53 HH21 ARG 53 9.357 -4.037 -8.246 399 HH22 ARG 53 HH22 ARG 53 8.773 -2.962 -9.501 400 H LYS 54 H LYS 54 12.024 -3.540 -1.605 401 HA LYS 54 HA LYS 54 12.131 -0.905 -0.280 402 HB2 LYS 54 HB2 LYS 54 13.220 -1.939 1.759 403 HB3 LYS 54 HB3 LYS 54 11.488 -2.105 1.628 404 HG2 LYS 54 HG2 LYS 54 13.456 -4.339 0.905 405 HG3 LYS 54 HG3 LYS 54 12.755 -4.138 2.506 406 HD2 LYS 54 HD2 LYS 54 11.359 -5.023 -0.047 407 HD3 LYS 54 HD3 LYS 54 11.470 -5.870 1.486 408 HE2 LYS 54 HE2 LYS 54 9.896 -3.286 1.081 409 HE3 LYS 54 HE3 LYS 54 9.205 -4.903 0.967 410 HZ1 LYS 54 HZ1 LYS 54 10.516 -3.801 3.364 411 HZ2 LYS 54 HZ2 LYS 54 8.886 -3.933 3.144 412 HZ3 LYS 54 HZ3 LYS 54 9.820 -5.293 3.241 413 H GLN 55 H GLN 55 14.035 -0.001 -0.099 414 HA GLN 55 HA GLN 55 16.261 -1.221 -1.639 415 HB2 GLN 55 HB2 GLN 55 15.355 1.035 -2.220 416 HB3 GLN 55 HB3 GLN 55 15.750 1.588 -0.590 417 HG2 GLN 55 HG2 GLN 55 18.146 1.215 -1.037 418 HG3 GLN 55 HG3 GLN 55 17.755 0.629 -2.664 419 HE21 GLN 55 HE21 GLN 55 19.323 2.448 -3.144 420 HE22 GLN 55 HE22 GLN 55 18.619 4.028 -3.393 421 H ILE 56 H ILE 56 18.122 -1.804 -0.588 422 HA ILE 56 HA ILE 56 18.346 -1.100 2.311 423 HB ILE 56 HB ILE 56 19.134 -3.719 0.915 424 HG12 ILE 56 HG12 ILE 56 17.532 -4.343 3.087 425 HG13 ILE 56 HG13 ILE 56 16.784 -2.854 2.510 426 HG21 ILE 56 HG21 ILE 56 19.496 -2.859 3.836 427 HG22 ILE 56 HG22 ILE 56 19.804 -4.494 3.198 428 HG23 ILE 56 HG23 ILE 56 20.798 -3.131 2.650 429 HD11 ILE 56 HD11 ILE 56 15.733 -4.870 1.530 430 HD12 ILE 56 HD12 ILE 56 16.473 -3.860 0.273 431 HD13 ILE 56 HD13 ILE 56 17.290 -5.344 0.818 432 H GLY 57 H GLY 57 20.245 -0.183 2.871 433 HA2 GLY 57 HA2 GLY 57 22.741 -0.509 1.582 434 HA3 GLY 57 HA3 GLY 57 21.933 0.930 0.894 435 H ALA 58 H ALA 58 23.374 2.425 1.977 436 HA ALA 58 HA ALA 58 23.843 2.374 4.802 437 HB1 ALA 58 HB1 ALA 58 25.233 3.688 3.224 438 HB2 ALA 58 HB2 ALA 58 23.839 4.738 2.861 439 HB3 ALA 58 HB3 ALA 58 24.548 4.730 4.492 440 H GLY 59 H GLY 59 21.154 3.418 2.846 441 HA2 GLY 59 HA2 GLY 59 19.688 4.208 5.315 442 HA3 GLY 59 HA3 GLY 59 19.482 5.075 3.766 443 H VAL 60 H VAL 60 17.292 3.687 4.981 444 HA VAL 60 HA VAL 60 17.004 1.405 3.053 445 HB VAL 60 HB VAL 60 15.895 1.656 5.893 446 HG11 VAL 60 HG11 VAL 60 14.203 0.624 4.428 447 HG12 VAL 60 HG12 VAL 60 15.414 -0.525 3.808 448 HG13 VAL 60 HG13 VAL 60 14.900 -0.595 5.510 449 HG21 VAL 60 HG21 VAL 60 17.211 -0.402 6.335 450 HG22 VAL 60 HG22 VAL 60 17.855 -0.340 4.676 451 HG23 VAL 60 HG23 VAL 60 18.255 0.944 5.840 452 H ASN 61 H ASN 61 15.322 1.720 1.637 453 HA ASN 61 HA ASN 61 13.292 3.754 2.474 454 HB2 ASN 61 HB2 ASN 61 15.099 4.597 0.837 455 HB3 ASN 61 HB3 ASN 61 14.289 3.594 -0.373 456 HD21 ASN 61 HD21 ASN 61 11.833 3.986 -0.501 457 HD22 ASN 61 HD22 ASN 61 11.317 5.644 -0.352 458 H TYR 62 H TYR 62 11.326 3.030 2.397 459 HA TYR 62 HA TYR 62 10.753 0.474 0.999 460 HB2 TYR 62 HB2 TYR 62 9.072 2.251 2.815 461 HB3 TYR 62 HB3 TYR 62 8.555 0.696 2.166 462 HD1 TYR 62 HD1 TYR 62 9.854 -1.404 2.883 463 HD2 TYR 62 HD2 TYR 62 10.301 2.389 4.858 464 HE1 TYR 62 HE1 TYR 62 10.826 -2.550 4.889 465 HE2 TYR 62 HE2 TYR 62 11.232 1.226 6.863 466 HH TYR 62 HH TYR 62 11.760 -2.299 6.953 467 H PHE 63 H PHE 63 9.561 0.397 -0.850 468 HA PHE 63 HA PHE 63 8.231 2.930 -1.764 469 HB2 PHE 63 HB2 PHE 63 9.670 0.824 -3.413 470 HB3 PHE 63 HB3 PHE 63 8.722 2.145 -4.082 471 HD1 PHE 63 HD1 PHE 63 11.891 1.181 -2.450 472 HD2 PHE 63 HD2 PHE 63 9.580 4.437 -4.032 473 HE1 PHE 63 HE1 PHE 63 13.929 2.613 -2.476 474 HE2 PHE 63 HE2 PHE 63 11.606 5.887 -4.038 475 HZ PHE 63 HZ PHE 63 13.793 4.967 -3.265 476 H LEU 64 H LEU 64 6.106 2.588 -1.575 477 HA LEU 64 HA LEU 64 5.111 -0.194 -2.019 478 HB2 LEU 64 HB2 LEU 64 5.184 0.709 0.351 479 HB3 LEU 64 HB3 LEU 64 4.032 1.936 -0.133 480 HG LEU 64 HG LEU 64 3.196 -0.083 1.167 481 HD11 LEU 64 HD11 LEU 64 1.074 -0.146 0.040 482 HD12 LEU 64 HD12 LEU 64 1.719 1.505 -0.050 483 HD13 LEU 64 HD13 LEU 64 1.799 0.441 -1.474 484 HD21 LEU 64 HD21 LEU 64 2.790 -2.137 -0.018 485 HD22 LEU 64 HD22 LEU 64 3.359 -1.460 -1.541 486 HD23 LEU 64 HD23 LEU 64 4.501 -1.744 -0.202 487 H ASP 65 H ASP 65 3.956 -0.328 -3.795 488 HA ASP 65 HA ASP 65 2.503 2.141 -4.722 489 HB2 ASP 65 HB2 ASP 65 3.482 -0.287 -6.319 490 HB3 ASP 65 HB3 ASP 65 2.638 1.113 -6.988 491 H VAL 66 H VAL 66 0.652 2.170 -5.166 492 HA VAL 66 HA VAL 66 -1.095 -0.043 -4.584 493 HB VAL 66 HB VAL 66 -0.130 1.578 -2.497 494 HG11 VAL 66 HG11 VAL 66 -3.142 1.606 -2.895 495 HG12 VAL 66 HG12 VAL 66 -2.213 2.262 -1.513 496 HG13 VAL 66 HG13 VAL 66 -2.081 3.031 -3.089 497 HG21 VAL 66 HG21 VAL 66 -2.336 -0.381 -2.563 498 HG22 VAL 66 HG22 VAL 66 -0.612 -0.695 -2.656 499 HG23 VAL 66 HG23 VAL 66 -1.237 0.076 -1.220 500 H GLU 67 H GLU 67 -3.052 -0.109 -4.991 501 HA GLU 67 HA GLU 67 -4.063 1.949 -6.869 502 HB2 GLU 67 HB2 GLU 67 -4.105 -0.528 -7.380 503 HB3 GLU 67 HB3 GLU 67 -5.247 -0.728 -6.044 504 HG2 GLU 67 HG2 GLU 67 -6.799 0.843 -7.206 505 HG3 GLU 67 HG3 GLU 67 -5.656 0.912 -8.560 506 H LEU 68 H LEU 68 -5.680 3.319 -6.356 507 HA LEU 68 HA LEU 68 -7.106 2.884 -3.759 508 HB2 LEU 68 HB2 LEU 68 -6.101 5.390 -5.034 509 HB3 LEU 68 HB3 LEU 68 -7.632 5.450 -4.169 510 HG LEU 68 HG LEU 68 -6.537 4.636 -2.125 511 HD11 LEU 68 HD11 LEU 68 -4.028 4.833 -2.012 512 HD12 LEU 68 HD12 LEU 68 -4.681 3.408 -2.839 513 HD13 LEU 68 HD13 LEU 68 -4.036 4.756 -3.790 514 HD21 LEU 68 HD21 LEU 68 -5.409 7.114 -3.440 515 HD22 LEU 68 HD22 LEU 68 -6.881 6.976 -2.460 516 HD23 LEU 68 HD23 LEU 68 -5.293 6.751 -1.704 517 H GLY 69 H GLY 69 -9.228 3.543 -3.609 518 HA2 GLY 69 HA2 GLY 69 -10.835 4.168 -5.886 519 HA3 GLY 69 HA3 GLY 69 -10.852 2.407 -5.521 520 H ARG 70 H ARG 70 -13.196 4.077 -5.104 521 HA ARG 70 HA ARG 70 -13.214 4.368 -2.149 522 HB2 ARG 70 HB2 ARG 70 -15.111 5.167 -4.347 523 HB3 ARG 70 HB3 ARG 70 -15.693 4.986 -2.679 524 HG2 ARG 70 HG2 ARG 70 -14.047 6.584 -1.874 525 HG3 ARG 70 HG3 ARG 70 -13.367 6.752 -3.499 526 HD2 ARG 70 HD2 ARG 70 -16.215 7.452 -2.721 527 HD3 ARG 70 HD3 ARG 70 -14.884 8.618 -2.830 528 HE ARG 70 HE ARG 70 -16.359 7.414 -5.040 529 HH11 ARG 70 HH11 ARG 70 -13.300 9.003 -4.210 530 HH12 ARG 70 HH12 ARG 70 -12.986 9.426 -5.888 531 HH21 ARG 70 HH21 ARG 70 -15.858 8.025 -7.123 532 HH22 ARG 70 HH22 ARG 70 -14.363 8.873 -7.464 533 H THR 71 H THR 71 -14.027 2.841 -0.869 534 HA THR 71 HA THR 71 -15.002 0.379 -2.265 535 HB THR 71 HB THR 71 -14.247 -0.717 -0.041 536 HG1 THR 71 HG1 THR 71 -12.846 1.775 0.021 537 HG21 THR 71 HG21 THR 71 -12.256 0.527 -1.965 538 HG22 THR 71 HG22 THR 71 -11.877 -0.764 -0.806 539 HG23 THR 71 HG23 THR 71 -13.037 -1.062 -2.115 540 H THR 72 H THR 72 -16.655 -0.819 -1.501 541 HA THR 72 HA THR 72 -18.795 0.769 -0.326 542 HB THR 72 HB THR 72 -20.077 -1.410 -0.587 543 HG1 THR 72 HG1 THR 72 -17.918 -2.427 -2.070 544 HG21 THR 72 HG21 THR 72 -20.013 -1.434 -3.045 545 HG22 THR 72 HG22 THR 72 -19.988 0.235 -2.435 546 HG23 THR 72 HG23 THR 72 -18.491 -0.519 -3.035 547 H CYS 73 H CYS 73 -16.425 -1.435 0.948 548 HA CYS 73 HA CYS 73 -18.012 -1.578 3.476 549 HB2 CYS 73 HB2 CYS 73 -16.204 -3.688 2.303 550 HB3 CYS 73 HB3 CYS 73 -17.050 -3.797 3.845 551 H THR 74 H THR 74 -16.901 -1.964 5.399 552 HA THR 74 HA THR 74 -14.372 -0.507 5.566 553 HB THR 74 HB THR 74 -14.856 -0.295 7.893 554 HG1 THR 74 HG1 THR 74 -16.281 -1.746 8.919 555 HG21 THR 74 HG21 THR 74 -17.017 0.450 8.139 556 HG22 THR 74 HG22 THR 74 -16.695 0.717 6.414 557 HG23 THR 74 HG23 THR 74 -17.679 -0.693 6.945 558 H LYS 75 H LYS 75 -12.951 -1.333 7.293 559 HA LYS 75 HA LYS 75 -11.895 -3.918 6.729 560 HB2 LYS 75 HB2 LYS 75 -10.490 -3.394 8.756 561 HB3 LYS 75 HB3 LYS 75 -10.509 -2.107 7.539 562 HG2 LYS 75 HG2 LYS 75 -12.021 -0.729 8.856 563 HG3 LYS 75 HG3 LYS 75 -12.409 -2.075 9.943 564 HD2 LYS 75 HD2 LYS 75 -10.850 -0.576 11.086 565 HD3 LYS 75 HD3 LYS 75 -10.048 -2.122 10.755 566 HE2 LYS 75 HE2 LYS 75 -8.976 -1.075 8.722 567 HE3 LYS 75 HE3 LYS 75 -9.685 0.481 9.197 568 HZ1 LYS 75 HZ1 LYS 75 -8.412 0.340 11.265 569 HZ2 LYS 75 HZ2 LYS 75 -7.771 -1.114 10.820 570 HZ3 LYS 75 HZ3 LYS 75 -7.395 0.246 9.968 571 H THR 76 H THR 76 -14.440 -3.026 8.776 572 HA THR 76 HA THR 76 -14.159 -5.436 10.473 573 HB THR 76 HB THR 76 -16.206 -4.084 11.283 574 HG1 THR 76 HG1 THR 76 -15.864 -1.898 11.204 575 HG21 THR 76 HG21 THR 76 -13.326 -3.400 11.991 576 HG22 THR 76 HG22 THR 76 -14.725 -3.005 13.017 577 HG23 THR 76 HG23 THR 76 -14.286 -4.703 12.734 578 H GLN 77 H GLN 77 -15.974 -4.104 8.094 579 HA GLN 77 HA GLN 77 -18.585 -5.023 8.436 580 HB2 GLN 77 HB2 GLN 77 -16.907 -4.519 6.007 581 HB3 GLN 77 HB3 GLN 77 -18.464 -5.312 5.786 582 HG2 GLN 77 HG2 GLN 77 -18.191 -2.755 7.348 583 HG3 GLN 77 HG3 GLN 77 -18.394 -2.763 5.591 584 HE21 GLN 77 HE21 GLN 77 -20.378 -3.352 4.686 585 HE22 GLN 77 HE22 GLN 77 -21.818 -3.481 5.666 586 HA PRO 78 HA PRO 78 -18.634 -9.323 8.421 587 HB2 PRO 78 HB2 PRO 78 -21.005 -9.953 7.209 588 HB3 PRO 78 HB3 PRO 78 -20.905 -9.123 8.797 589 HG2 PRO 78 HG2 PRO 78 -21.256 -7.910 6.056 590 HG3 PRO 78 HG3 PRO 78 -22.247 -7.655 7.532 591 HD2 PRO 78 HD2 PRO 78 -20.296 -5.910 6.863 592 HD3 PRO 78 HD3 PRO 78 -20.551 -6.377 8.576 593 H ASN 79 H ASN 79 -18.272 -7.927 5.284 594 HA ASN 79 HA ASN 79 -17.777 -10.660 4.190 595 HB2 ASN 79 HB2 ASN 79 -19.238 -8.415 2.756 596 HB3 ASN 79 HB3 ASN 79 -18.816 -9.989 2.063 597 HD21 ASN 79 HD21 ASN 79 -19.606 -11.902 3.475 598 HD22 ASN 79 HD22 ASN 79 -21.262 -11.760 4.009 599 H LEU 80 H LEU 80 -15.534 -9.459 5.001 600 HA LEU 80 HA LEU 80 -14.390 -7.628 3.124 601 HB2 LEU 80 HB2 LEU 80 -13.281 -9.381 5.259 602 HB3 LEU 80 HB3 LEU 80 -12.178 -8.787 4.028 603 HG LEU 80 HG LEU 80 -12.965 -6.452 4.546 604 HD11 LEU 80 HD11 LEU 80 -14.119 -7.814 6.988 605 HD12 LEU 80 HD12 LEU 80 -13.890 -6.067 6.778 606 HD13 LEU 80 HD13 LEU 80 -15.019 -6.931 5.733 607 HD21 LEU 80 HD21 LEU 80 -10.822 -7.383 5.251 608 HD22 LEU 80 HD22 LEU 80 -11.476 -6.313 6.510 609 HD23 LEU 80 HD23 LEU 80 -11.577 -8.076 6.709 610 H ASP 81 H ASP 81 -15.063 -10.954 2.568 611 HA ASP 81 HA ASP 81 -12.797 -11.271 0.721 612 HB2 ASP 81 HB2 ASP 81 -15.292 -12.935 0.571 613 HB3 ASP 81 HB3 ASP 81 -13.603 -13.447 0.457 614 H ASN 82 H ASN 82 -16.243 -10.590 0.687 615 HA ASN 82 HA ASN 82 -16.402 -10.690 -2.229 616 HB2 ASN 82 HB2 ASN 82 -18.205 -11.537 -0.715 617 HB3 ASN 82 HB3 ASN 82 -18.521 -9.864 -0.226 618 HD21 ASN 82 HD21 ASN 82 -20.286 -9.117 -1.178 619 HD22 ASN 82 HD22 ASN 82 -20.734 -9.405 -2.841 620 H CYS 83 H CYS 83 -16.495 -8.113 0.261 621 HA CYS 83 HA CYS 83 -17.462 -6.130 -1.532 622 HB2 CYS 83 HB2 CYS 83 -15.628 -5.734 0.843 623 HB3 CYS 83 HB3 CYS 83 -16.570 -4.483 0.020 624 HA PRO 84 HA PRO 84 -13.182 -4.877 -2.753 625 HB2 PRO 84 HB2 PRO 84 -10.962 -6.407 -2.388 626 HB3 PRO 84 HB3 PRO 84 -11.529 -5.209 -1.180 627 HG2 PRO 84 HG2 PRO 84 -11.987 -8.151 -1.274 628 HG3 PRO 84 HG3 PRO 84 -11.418 -7.131 0.089 629 HD2 PRO 84 HD2 PRO 84 -13.994 -7.913 -0.154 630 HD3 PRO 84 HD3 PRO 84 -13.545 -6.304 0.509 631 H PHE 85 H PHE 85 -13.901 -8.405 -2.867 632 HA PHE 85 HA PHE 85 -12.768 -8.894 -5.447 633 HB2 PHE 85 HB2 PHE 85 -13.576 -10.659 -3.935 634 HB3 PHE 85 HB3 PHE 85 -15.237 -10.091 -4.136 635 HD1 PHE 85 HD1 PHE 85 -12.336 -11.614 -5.919 636 HD2 PHE 85 HD2 PHE 85 -16.556 -10.778 -5.996 637 HE1 PHE 85 HE1 PHE 85 -12.583 -13.085 -7.915 638 HE2 PHE 85 HE2 PHE 85 -16.817 -12.247 -7.991 639 HZ PHE 85 HZ PHE 85 -14.826 -13.398 -8.962 640 H HIS 86 H HIS 86 -15.824 -7.400 -4.431 641 HA HIS 86 HA HIS 86 -16.815 -7.133 -7.192 642 HB2 HIS 86 HB2 HIS 86 -18.482 -7.351 -5.511 643 HB3 HIS 86 HB3 HIS 86 -17.682 -6.194 -4.445 644 HD1 HIS 86 HD1 HIS 86 -18.078 -3.640 -4.907 645 HD2 HIS 86 HD2 HIS 86 -20.079 -6.198 -7.506 646 HE1 HIS 86 HE1 HIS 86 -19.747 -2.232 -6.170 647 H ASP 87 H ASP 87 -15.284 -5.094 -4.719 648 HA ASP 87 HA ASP 87 -15.779 -2.629 -6.060 649 HB2 ASP 87 HB2 ASP 87 -13.847 -3.385 -3.854 650 HB3 ASP 87 HB3 ASP 87 -13.999 -1.738 -4.477 651 H GLN 88 H GLN 88 -12.782 -4.712 -6.086 652 HA GLN 88 HA GLN 88 -11.324 -2.735 -7.542 653 HB2 GLN 88 HB2 GLN 88 -10.985 -5.674 -7.180 654 HB3 GLN 88 HB3 GLN 88 -10.148 -4.887 -8.531 655 HG2 GLN 88 HG2 GLN 88 -9.438 -3.156 -6.835 656 HG3 GLN 88 HG3 GLN 88 -9.862 -4.366 -5.608 657 HE21 GLN 88 HE21 GLN 88 -7.544 -3.217 -7.814 658 HE22 GLN 88 HE22 GLN 88 -6.429 -4.564 -7.725 659 HA PRO 89 HA PRO 89 -12.563 -4.433 -11.570 660 HB2 PRO 89 HB2 PRO 89 -14.868 -5.887 -11.974 661 HB3 PRO 89 HB3 PRO 89 -13.283 -6.656 -11.635 662 HG2 PRO 89 HG2 PRO 89 -15.490 -5.977 -9.687 663 HG3 PRO 89 HG3 PRO 89 -14.650 -7.540 -9.930 664 HD2 PRO 89 HD2 PRO 89 -13.906 -5.859 -7.994 665 HD3 PRO 89 HD3 PRO 89 -12.683 -6.763 -8.941 666 H HIS 90 H HIS 90 -15.026 -3.506 -9.193 667 HA HIS 90 HA HIS 90 -16.770 -2.093 -10.999 668 HB2 HIS 90 HB2 HIS 90 -17.368 -2.696 -8.661 669 HB3 HIS 90 HB3 HIS 90 -16.152 -1.564 -8.069 670 HD1 HIS 90 HD1 HIS 90 -18.008 -0.172 -6.841 671 HD2 HIS 90 HD2 HIS 90 -18.434 -0.372 -10.969 672 HE1 HIS 90 HE1 HIS 90 -19.718 1.573 -7.479 673 H LEU 91 H LEU 91 -13.770 -1.269 -9.250 674 HA LEU 91 HA LEU 91 -13.728 1.487 -10.132 675 HB2 LEU 91 HB2 LEU 91 -11.760 -0.392 -8.859 676 HB3 LEU 91 HB3 LEU 91 -11.128 1.030 -9.663 677 HG LEU 91 HG LEU 91 -11.258 1.354 -7.280 678 HD11 LEU 91 HD11 LEU 91 -13.262 3.082 -8.832 679 HD12 LEU 91 HD12 LEU 91 -12.402 3.555 -7.363 680 HD13 LEU 91 HD13 LEU 91 -11.490 3.270 -8.852 681 HD21 LEU 91 HD21 LEU 91 -14.264 1.019 -7.553 682 HD22 LEU 91 HD22 LEU 91 -13.141 0.033 -6.594 683 HD23 LEU 91 HD23 LEU 91 -13.439 1.715 -6.144 684 H LYS 92 H LYS 92 -14.216 1.359 -12.334 685 HA LYS 92 HA LYS 92 -12.355 0.089 -14.200 686 HB2 LYS 92 HB2 LYS 92 -14.836 1.664 -14.324 687 HB3 LYS 92 HB3 LYS 92 -13.674 2.161 -15.554 688 HG2 LYS 92 HG2 LYS 92 -15.185 0.459 -16.457 689 HG3 LYS 92 HG3 LYS 92 -13.523 -0.134 -16.408 690 HD2 LYS 92 HD2 LYS 92 -14.951 -1.940 -15.705 691 HD3 LYS 92 HD3 LYS 92 -14.067 -1.380 -14.286 692 HE2 LYS 92 HE2 LYS 92 -16.304 -1.754 -13.575 693 HE3 LYS 92 HE3 LYS 92 -16.112 0.000 -13.669 694 HZ1 LYS 92 HZ1 LYS 92 -17.419 -1.704 -15.702 695 HZ2 LYS 92 HZ2 LYS 92 -18.189 -0.711 -14.636 696 HZ3 LYS 92 HZ3 LYS 92 -17.233 -0.070 -15.819 697 H ARG 93 H ARG 93 -12.800 3.291 -12.735 698 HA ARG 93 HA ARG 93 -10.384 4.301 -14.126 699 HB2 ARG 93 HB2 ARG 93 -12.469 5.742 -13.750 700 HB3 ARG 93 HB3 ARG 93 -12.057 5.744 -12.031 701 HG2 ARG 93 HG2 ARG 93 -9.677 6.428 -13.449 702 HG3 ARG 93 HG3 ARG 93 -10.985 7.359 -14.192 703 HD2 ARG 93 HD2 ARG 93 -10.384 7.280 -11.210 704 HD3 ARG 93 HD3 ARG 93 -9.823 8.537 -12.324 705 HE ARG 93 HE ARG 93 -12.713 8.132 -12.333 706 HH11 ARG 93 HH11 ARG 93 -10.079 9.911 -10.805 707 HH12 ARG 93 HH12 ARG 93 -11.139 11.200 -10.286 708 HH21 ARG 93 HH21 ARG 93 -13.996 9.798 -11.603 709 HH22 ARG 93 HH22 ARG 93 -13.301 11.122 -10.711 710 H LYS 94 H LYS 94 -9.017 2.672 -13.166 711 HA LYS 94 HA LYS 94 -8.747 2.494 -10.286 712 HB2 LYS 94 HB2 LYS 94 -6.946 1.600 -12.567 713 HB3 LYS 94 HB3 LYS 94 -6.649 1.250 -10.854 714 HG2 LYS 94 HG2 LYS 94 -8.851 0.158 -10.729 715 HG3 LYS 94 HG3 LYS 94 -9.049 0.388 -12.476 716 HD2 LYS 94 HD2 LYS 94 -7.116 -0.992 -12.940 717 HD3 LYS 94 HD3 LYS 94 -6.744 -1.113 -11.213 718 HE2 LYS 94 HE2 LYS 94 -9.231 -2.199 -12.582 719 HE3 LYS 94 HE3 LYS 94 -7.856 -3.151 -11.977 720 HZ1 LYS 94 HZ1 LYS 94 -9.518 -3.214 -10.324 721 HZ2 LYS 94 HZ2 LYS 94 -8.394 -2.144 -9.743 722 HZ3 LYS 94 HZ3 LYS 94 -9.809 -1.599 -10.396 723 H ALA 95 H ALA 95 -8.038 4.107 -9.083 724 HA ALA 95 HA ALA 95 -6.141 6.067 -10.167 725 HB1 ALA 95 HB1 ALA 95 -6.322 7.035 -7.899 726 HB2 ALA 95 HB2 ALA 95 -7.928 6.758 -8.601 727 HB3 ALA 95 HB3 ALA 95 -7.287 5.643 -7.377 728 H PHE 96 H PHE 96 -3.931 6.069 -9.642 729 HA PHE 96 HA PHE 96 -3.039 3.804 -7.919 730 HB2 PHE 96 HB2 PHE 96 -1.019 3.642 -9.344 731 HB3 PHE 96 HB3 PHE 96 -2.512 3.224 -10.193 732 HD1 PHE 96 HD1 PHE 96 -3.410 4.652 -11.980 733 HD2 PHE 96 HD2 PHE 96 0.253 5.659 -9.951 734 HE1 PHE 96 HE1 PHE 96 -2.866 6.284 -13.782 735 HE2 PHE 96 HE2 PHE 96 0.806 7.292 -11.750 736 HZ PHE 96 HZ PHE 96 -0.753 7.606 -13.673 737 H CYS 97 H CYS 97 -1.595 4.263 -6.429 738 HA CYS 97 HA CYS 97 -0.464 7.025 -6.257 739 HB2 CYS 97 HB2 CYS 97 -1.586 5.263 -4.048 740 HB3 CYS 97 HB3 CYS 97 -0.763 6.813 -3.806 741 H SER 98 H SER 98 1.541 7.158 -5.063 742 HA SER 98 HA SER 98 2.859 4.536 -4.503 743 HB2 SER 98 HB2 SER 98 4.119 6.946 -5.864 744 HB3 SER 98 HB3 SER 98 5.004 5.528 -5.277 745 HG SER 98 HG SER 98 4.027 4.267 -6.777 746 H PHE 99 H PHE 99 3.652 4.430 -2.526 747 HA PHE 99 HA PHE 99 4.001 7.010 -1.020 748 HB2 PHE 99 HB2 PHE 99 3.178 4.249 -0.017 749 HB3 PHE 99 HB3 PHE 99 3.506 5.649 1.010 750 HD1 PHE 99 HD1 PHE 99 1.915 7.494 1.187 751 HD2 PHE 99 HD2 PHE 99 1.128 4.135 -1.391 752 HE1 PHE 99 HE1 PHE 99 -0.466 8.204 0.998 753 HE2 PHE 99 HE2 PHE 99 -1.251 4.849 -1.602 754 HZ PHE 99 HZ PHE 99 -2.053 6.889 -0.411 755 H GLN 100 H GLN 100 5.990 7.337 -0.267 756 HA GLN 100 HA GLN 100 7.916 5.046 -0.444 757 HB2 GLN 100 HB2 GLN 100 8.492 7.919 -1.215 758 HB3 GLN 100 HB3 GLN 100 9.575 6.536 -1.385 759 HG2 GLN 100 HG2 GLN 100 7.949 5.532 -3.019 760 HG3 GLN 100 HG3 GLN 100 6.957 6.988 -2.891 761 HE21 GLN 100 HE21 GLN 100 8.108 5.938 -5.276 762 HE22 GLN 100 HE22 GLN 100 9.224 7.140 -5.876 763 H ILE 101 H ILE 101 8.597 4.623 1.559 764 HA ILE 101 HA ILE 101 8.673 6.878 3.532 765 HB ILE 101 HB ILE 101 8.626 3.865 4.040 766 HG12 ILE 101 HG12 ILE 101 6.374 5.819 4.555 767 HG13 ILE 101 HG13 ILE 101 6.485 4.874 3.068 768 HG21 ILE 101 HG21 ILE 101 8.342 6.215 5.965 769 HG22 ILE 101 HG22 ILE 101 8.207 4.499 6.397 770 HG23 ILE 101 HG23 ILE 101 9.754 5.139 5.832 771 HD11 ILE 101 HD11 ILE 101 4.990 3.719 4.511 772 HD12 ILE 101 HD12 ILE 101 6.506 2.789 4.491 773 HD13 ILE 101 HD13 ILE 101 6.114 3.824 5.884 774 H TYR 102 H TYR 102 10.679 7.624 4.079 775 HA TYR 102 HA TYR 102 12.978 5.846 3.457 776 HB2 TYR 102 HB2 TYR 102 13.197 8.198 2.786 777 HB3 TYR 102 HB3 TYR 102 12.862 8.718 4.448 778 HD1 TYR 102 HD1 TYR 102 14.610 8.792 6.091 779 HD2 TYR 102 HD2 TYR 102 15.309 6.808 2.336 780 HE1 TYR 102 HE1 TYR 102 17.031 8.568 6.647 781 HE2 TYR 102 HE2 TYR 102 17.728 6.590 2.908 782 HH TYR 102 HH TYR 102 19.379 7.072 4.440 783 H ALA 103 H ALA 103 13.783 4.573 5.059 784 HA ALA 103 HA ALA 103 13.001 5.205 7.833 785 HB1 ALA 103 HB1 ALA 103 12.460 2.968 7.080 786 HB2 ALA 103 HB2 ALA 103 14.166 2.719 6.626 787 HB3 ALA 103 HB3 ALA 103 13.726 2.964 8.333 788 H VAL 104 H VAL 104 14.498 5.712 9.267 789 HA VAL 104 HA VAL 104 17.124 6.477 8.057 790 HB VAL 104 HB VAL 104 16.398 7.114 10.897 791 HG11 VAL 104 HG11 VAL 104 17.153 8.926 8.743 792 HG12 VAL 104 HG12 VAL 104 17.186 9.197 10.495 793 HG13 VAL 104 HG13 VAL 104 18.297 8.007 9.765 794 HG21 VAL 104 HG21 VAL 104 14.813 8.878 10.294 795 HG22 VAL 104 HG22 VAL 104 14.697 8.127 8.677 796 HG23 VAL 104 HG23 VAL 104 14.280 7.203 10.144 797 HA PRO 105 HA PRO 105 16.992 2.838 10.215 798 HB2 PRO 105 HB2 PRO 105 19.281 1.369 9.607 799 HB3 PRO 105 HB3 PRO 105 17.932 1.597 8.442 800 HG2 PRO 105 HG2 PRO 105 20.495 3.180 8.691 801 HG3 PRO 105 HG3 PRO 105 19.778 2.429 7.229 802 HD2 PRO 105 HD2 PRO 105 19.410 5.064 7.832 803 HD3 PRO 105 HD3 PRO 105 18.127 4.079 7.052 804 H TRP 106 H TRP 106 19.697 4.932 10.483 805 HA TRP 106 HA TRP 106 21.202 3.768 12.557 806 HB2 TRP 106 HB2 TRP 106 21.730 5.723 11.010 807 HB3 TRP 106 HB3 TRP 106 20.759 6.734 12.092 808 HD1 TRP 106 HD1 TRP 106 23.790 4.292 12.421 809 HE1 TRP 106 HE1 TRP 106 25.436 5.176 14.143 810 HE3 TRP 106 HE3 TRP 106 21.189 8.474 13.796 811 HZ2 TRP 106 HZ2 TRP 106 25.608 7.402 15.917 812 HZ3 TRP 106 HZ3 TRP 106 22.168 9.975 15.545 813 HH2 TRP 106 HH2 TRP 106 24.364 9.426 16.593 814 H GLN 107 H GLN 107 18.189 5.588 12.693 815 HA GLN 107 HA GLN 107 18.409 5.675 15.677 816 HB2 GLN 107 HB2 GLN 107 16.689 7.209 13.732 817 HB3 GLN 107 HB3 GLN 107 16.616 7.391 15.484 818 HG2 GLN 107 HG2 GLN 107 18.908 8.241 15.496 819 HG3 GLN 107 HG3 GLN 107 19.032 7.979 13.748 820 HE21 GLN 107 HE21 GLN 107 18.793 10.368 15.846 821 HE22 GLN 107 HE22 GLN 107 17.788 11.484 14.951 822 H GLY 108 H GLY 108 17.060 3.830 13.202 823 HA2 GLY 108 HA2 GLY 108 15.452 2.167 13.289 824 HA3 GLY 108 HA3 GLY 108 15.241 2.499 15.019 825 H THR 109 H THR 109 14.996 5.192 12.919 826 HA THR 109 HA THR 109 12.059 5.361 13.424 827 HB THR 109 HB THR 109 12.600 7.785 12.584 828 HG1 THR 109 HG1 THR 109 14.797 8.337 13.003 829 HG21 THR 109 HG21 THR 109 12.074 7.246 14.960 830 HG22 THR 109 HG22 THR 109 13.778 6.810 15.229 831 HG23 THR 109 HG23 THR 109 13.337 8.489 14.839 832 H MET 110 H MET 110 10.811 6.440 11.618 833 HA MET 110 HA MET 110 12.236 6.459 9.046 834 HB2 MET 110 HB2 MET 110 10.589 5.048 7.900 835 HB3 MET 110 HB3 MET 110 11.191 4.130 9.280 836 HG2 MET 110 HG2 MET 110 9.135 4.745 10.548 837 HG3 MET 110 HG3 MET 110 8.531 5.580 9.104 838 HE1 MET 110 HE1 MET 110 6.558 3.581 10.193 839 HE2 MET 110 HE2 MET 110 6.407 4.352 8.598 840 HE3 MET 110 HE3 MET 110 6.181 2.595 8.758 841 H THR 111 H THR 111 10.977 7.694 7.414 842 HA THR 111 HA THR 111 8.641 9.240 8.456 843 HB THR 111 HB THR 111 11.062 10.412 7.009 844 HG1 THR 111 HG1 THR 111 11.335 11.494 9.085 845 HG21 THR 111 HG21 THR 111 10.023 12.579 7.656 846 HG22 THR 111 HG22 THR 111 9.080 11.641 6.485 847 HG23 THR 111 HG23 THR 111 8.588 11.680 8.199 848 H LEU 112 H LEU 112 7.060 9.540 6.774 849 HA LEU 112 HA LEU 112 7.432 8.254 4.258 850 HB2 LEU 112 HB2 LEU 112 5.203 8.773 5.368 851 HB3 LEU 112 HB3 LEU 112 5.473 10.467 4.977 852 HG LEU 112 HG LEU 112 5.529 9.778 2.529 853 HD11 LEU 112 HD11 LEU 112 4.477 7.554 2.060 854 HD12 LEU 112 HD12 LEU 112 6.059 7.432 2.850 855 HD13 LEU 112 HD13 LEU 112 4.578 7.184 3.800 856 HD21 LEU 112 HD21 LEU 112 3.075 9.471 2.427 857 HD22 LEU 112 HD22 LEU 112 3.052 9.187 4.176 858 HD23 LEU 112 HD23 LEU 112 3.551 10.769 3.539 859 H SER 113 H SER 113 8.794 8.936 2.726 860 HA SER 113 HA SER 113 9.854 11.671 2.754 861 HB2 SER 113 HB2 SER 113 11.270 9.662 2.337 862 HB3 SER 113 HB3 SER 113 10.335 9.324 0.868 863 HG SER 113 HG SER 113 12.311 10.493 0.507 864 H LYS 114 H LYS 114 7.663 9.645 0.837 865 HA LYS 114 HA LYS 114 6.655 12.076 -0.516 866 HB2 LYS 114 HB2 LYS 114 8.474 11.299 -1.973 867 HB3 LYS 114 HB3 LYS 114 7.753 9.690 -2.040 868 HG2 LYS 114 HG2 LYS 114 5.866 10.446 -3.280 869 HG3 LYS 114 HG3 LYS 114 6.272 12.150 -2.957 870 HD2 LYS 114 HD2 LYS 114 8.389 11.847 -4.239 871 HD3 LYS 114 HD3 LYS 114 7.833 10.216 -4.686 872 HE2 LYS 114 HE2 LYS 114 5.819 11.179 -5.710 873 HE3 LYS 114 HE3 LYS 114 6.322 12.803 -5.204 874 HZ1 LYS 114 HZ1 LYS 114 8.262 12.581 -6.628 875 HZ2 LYS 114 HZ2 LYS 114 7.804 11.067 -7.094 876 HZ3 LYS 114 HZ3 LYS 114 6.884 12.373 -7.512 877 H SER 115 H SER 115 4.574 11.999 -1.010 878 HA SER 115 HA SER 115 3.200 9.368 -1.230 879 HB2 SER 115 HB2 SER 115 1.253 11.117 -0.349 880 HB3 SER 115 HB3 SER 115 2.069 9.934 0.691 881 HG SER 115 HG SER 115 2.195 12.023 1.588 882 H THR 116 H THR 116 2.285 9.322 -3.211 883 HA THR 116 HA THR 116 1.439 11.910 -4.390 884 HB THR 116 HB THR 116 3.744 11.404 -5.271 885 HG1 THR 116 HG1 THR 116 1.758 11.097 -7.286 886 HG21 THR 116 HG21 THR 116 2.382 8.989 -6.520 887 HG22 THR 116 HG22 THR 116 4.007 9.590 -6.912 888 HG23 THR 116 HG23 THR 116 3.664 8.964 -5.287 889 H CYS 117 H CYS 117 -0.363 11.589 -5.832 890 HA CYS 117 HA CYS 117 -1.447 8.849 -5.878 891 HB2 CYS 117 HB2 CYS 117 -2.306 11.017 -4.076 892 HB3 CYS 117 HB3 CYS 117 -3.626 10.341 -5.026 893 H GLN 118 H GLN 118 -3.638 8.805 -6.828 894 HA GLN 118 HA GLN 118 -4.073 10.891 -8.924 895 HB2 GLN 118 HB2 GLN 118 -4.118 7.857 -9.135 896 HB3 GLN 118 HB3 GLN 118 -4.938 8.904 -10.312 897 HG2 GLN 118 HG2 GLN 118 -1.969 9.035 -9.693 898 HG3 GLN 118 HG3 GLN 118 -2.671 8.101 -11.015 899 HE21 GLN 118 HE21 GLN 118 -1.849 11.279 -9.846 900 HE22 GLN 118 HE22 GLN 118 -2.169 12.113 -11.353 901 H ASP 119 H ASP 119 -6.382 11.051 -9.456 902 HA ASP 119 HA ASP 119 -8.003 10.668 -7.044 903 HB2 ASP 119 HB2 ASP 119 -8.592 11.924 -9.747 904 HB3 ASP 119 HB3 ASP 119 -9.707 11.927 -8.371 905 H ALA 120 H ALA 120 -9.914 9.514 -6.895 906 HA ALA 120 HA ALA 120 -10.378 7.448 -9.011 907 HB1 ALA 120 HB1 ALA 120 -11.015 7.361 -6.023 908 HB2 ALA 120 HB2 ALA 120 -11.337 6.068 -7.204 909 HB3 ALA 120 HB3 ALA 120 -9.661 6.520 -6.816 Start of MODEL 9 1 H1 SER 1 H1 SER 1 2.104 -6.019 16.032 2 H2 SER 1 H2 SER 1 1.410 -6.300 14.599 3 H3 SER 1 H3 SER 1 2.461 -5.083 14.762 4 HA SER 1 HA SER 1 3.104 -7.947 14.984 5 HB2 SER 1 HB2 SER 1 4.546 -7.421 12.940 6 HB3 SER 1 HB3 SER 1 2.790 -7.473 12.687 7 HG SER 1 HG SER 1 3.639 -5.638 11.699 8 H SER 2 H SER 2 5.124 -5.147 14.047 9 HA SER 2 HA SER 2 7.217 -4.547 14.794 10 HB2 SER 2 HB2 SER 2 5.939 -4.877 17.529 11 HB3 SER 2 HB3 SER 2 7.302 -3.818 17.100 12 HG SER 2 HG SER 2 5.351 -2.656 17.136 13 HA PRO 3 HA PRO 3 8.138 -8.894 16.199 14 HB2 PRO 3 HB2 PRO 3 9.490 -9.899 14.105 15 HB3 PRO 3 HB3 PRO 3 7.698 -9.818 14.106 16 HG2 PRO 3 HG2 PRO 3 9.687 -7.895 12.896 17 HG3 PRO 3 HG3 PRO 3 8.291 -8.693 12.113 18 HD2 PRO 3 HD2 PRO 3 8.088 -6.200 13.096 19 HD3 PRO 3 HD3 PRO 3 6.737 -7.375 13.265 20 H GLY 4 H GLY 4 10.330 -6.469 14.884 21 HA2 GLY 4 HA2 GLY 4 12.489 -6.009 15.623 22 HA3 GLY 4 HA3 GLY 4 12.414 -7.442 16.658 23 H LYS 5 H LYS 5 11.520 -8.821 13.955 24 HA LYS 5 HA LYS 5 14.003 -10.099 13.452 25 HB2 LYS 5 HB2 LYS 5 11.514 -9.863 11.725 26 HB3 LYS 5 HB3 LYS 5 12.842 -10.981 11.400 27 HG2 LYS 5 HG2 LYS 5 12.358 -12.278 13.354 28 HG3 LYS 5 HG3 LYS 5 11.282 -11.027 13.998 29 HD2 LYS 5 HD2 LYS 5 9.802 -11.349 11.985 30 HD3 LYS 5 HD3 LYS 5 10.795 -12.753 11.543 31 HE2 LYS 5 HE2 LYS 5 10.201 -13.875 13.633 32 HE3 LYS 5 HE3 LYS 5 9.364 -12.417 14.212 33 HZ1 LYS 5 HZ1 LYS 5 8.553 -14.055 11.881 34 HZ2 LYS 5 HZ2 LYS 5 7.771 -13.967 13.330 35 HZ3 LYS 5 HZ3 LYS 5 7.819 -12.645 12.334 36 HA PRO 6 HA PRO 6 15.648 -6.916 10.824 37 HB2 PRO 6 HB2 PRO 6 17.932 -8.111 9.932 38 HB3 PRO 6 HB3 PRO 6 17.759 -7.552 11.628 39 HG2 PRO 6 HG2 PRO 6 17.341 -10.310 10.494 40 HG3 PRO 6 HG3 PRO 6 18.343 -9.807 11.896 41 HD2 PRO 6 HD2 PRO 6 15.834 -10.781 12.209 42 HD3 PRO 6 HD3 PRO 6 16.468 -9.463 13.259 43 HA PRO 7 HA PRO 7 14.252 -8.380 6.879 44 HB2 PRO 7 HB2 PRO 7 15.306 -6.605 5.108 45 HB3 PRO 7 HB3 PRO 7 14.050 -6.108 6.292 46 HG2 PRO 7 HG2 PRO 7 17.047 -5.814 6.473 47 HG3 PRO 7 HG3 PRO 7 15.780 -4.570 6.721 48 HD2 PRO 7 HD2 PRO 7 16.931 -5.905 8.791 49 HD3 PRO 7 HD3 PRO 7 15.200 -5.414 8.821 50 H ARG 8 H ARG 8 15.007 -9.521 4.951 51 HA ARG 8 HA ARG 8 17.561 -10.813 5.216 52 HB2 ARG 8 HB2 ARG 8 17.156 -11.543 2.825 53 HB3 ARG 8 HB3 ARG 8 15.889 -11.986 3.970 54 HG2 ARG 8 HG2 ARG 8 14.421 -10.248 3.150 55 HG3 ARG 8 HG3 ARG 8 15.706 -9.585 2.126 56 HD2 ARG 8 HD2 ARG 8 15.756 -11.601 0.782 57 HD3 ARG 8 HD3 ARG 8 14.558 -12.380 1.831 58 HE ARG 8 HE ARG 8 14.081 -10.298 -0.207 59 HH11 ARG 8 HH11 ARG 8 12.623 -12.181 2.426 60 HH12 ARG 8 HH12 ARG 8 10.997 -11.803 1.887 61 HH21 ARG 8 HH21 ARG 8 11.953 -9.924 -0.814 62 HH22 ARG 8 HH22 ARG 8 10.646 -10.597 0.147 63 H LEU 9 H LEU 9 19.552 -10.233 4.445 64 HA LEU 9 HA LEU 9 19.693 -7.460 3.381 65 HB2 LEU 9 HB2 LEU 9 21.905 -9.264 4.419 66 HB3 LEU 9 HB3 LEU 9 22.044 -7.557 4.021 67 HG LEU 9 HG LEU 9 20.451 -8.720 6.338 68 HD11 LEU 9 HD11 LEU 9 22.219 -7.744 7.738 69 HD12 LEU 9 HD12 LEU 9 22.892 -8.931 6.602 70 HD13 LEU 9 HD13 LEU 9 23.083 -7.190 6.284 71 HD21 LEU 9 HD21 LEU 9 20.997 -5.827 5.560 72 HD22 LEU 9 HD22 LEU 9 19.414 -6.646 5.626 73 HD23 LEU 9 HD23 LEU 9 20.319 -6.353 7.119 74 H VAL 10 H VAL 10 19.267 -7.424 1.577 75 HA VAL 10 HA VAL 10 20.675 -8.989 -0.449 76 HB VAL 10 HB VAL 10 18.536 -6.840 -0.354 77 HG11 VAL 10 HG11 VAL 10 19.753 -6.471 -2.286 78 HG12 VAL 10 HG12 VAL 10 19.764 -8.198 -2.695 79 HG13 VAL 10 HG13 VAL 10 18.239 -7.273 -2.718 80 HG21 VAL 10 HG21 VAL 10 17.827 -9.047 0.412 81 HG22 VAL 10 HG22 VAL 10 17.123 -8.744 -1.193 82 HG23 VAL 10 HG23 VAL 10 18.533 -9.817 -1.030 83 H GLY 11 H GLY 11 20.722 -5.767 1.065 84 HA2 GLY 11 HA2 GLY 11 22.506 -4.267 1.077 85 HA3 GLY 11 HA3 GLY 11 23.360 -5.290 -0.088 86 H GLY 12 H GLY 12 20.245 -4.764 -1.183 87 HA2 GLY 12 HA2 GLY 12 20.702 -2.165 -2.438 88 HA3 GLY 12 HA3 GLY 12 20.759 -3.563 -3.543 89 HA PRO 13 HA PRO 13 16.335 -2.453 -2.752 90 HB2 PRO 13 HB2 PRO 13 15.420 -2.247 -5.297 91 HB3 PRO 13 HB3 PRO 13 16.258 -0.887 -4.479 92 HG2 PRO 13 HG2 PRO 13 17.384 -2.935 -6.382 93 HG3 PRO 13 HG3 PRO 13 17.543 -1.150 -6.428 94 HD2 PRO 13 HD2 PRO 13 19.473 -2.757 -5.374 95 HD3 PRO 13 HD3 PRO 13 19.112 -1.132 -4.690 96 H MET 14 H MET 14 14.646 -3.875 -2.680 97 HA MET 14 HA MET 14 14.658 -6.255 -4.435 98 HB2 MET 14 HB2 MET 14 14.506 -7.817 -2.583 99 HB3 MET 14 HB3 MET 14 15.996 -6.887 -2.382 100 HG2 MET 14 HG2 MET 14 14.899 -5.468 -0.687 101 HG3 MET 14 HG3 MET 14 13.383 -6.351 -0.922 102 HE1 MET 14 HE1 MET 14 12.886 -7.309 1.454 103 HE2 MET 14 HE2 MET 14 14.227 -7.661 2.570 104 HE3 MET 14 HE3 MET 14 14.074 -6.045 1.851 105 H ASP 15 H ASP 15 12.517 -7.102 -4.655 106 HA ASP 15 HA ASP 15 10.392 -5.421 -3.466 107 HB2 ASP 15 HB2 ASP 15 10.475 -7.615 -5.528 108 HB3 ASP 15 HB3 ASP 15 8.977 -7.342 -4.625 109 H ALA 16 H ALA 16 8.939 -6.349 -1.880 110 HA ALA 16 HA ALA 16 9.692 -9.051 -0.766 111 HB1 ALA 16 HB1 ALA 16 10.489 -7.451 0.836 112 HB2 ALA 16 HB2 ALA 16 8.938 -6.593 0.777 113 HB3 ALA 16 HB3 ALA 16 9.006 -8.214 1.453 114 H SER 17 H SER 17 7.926 -10.213 -0.007 115 HA SER 17 HA SER 17 5.610 -9.880 -1.708 116 HB2 SER 17 HB2 SER 17 5.854 -11.687 0.717 117 HB3 SER 17 HB3 SER 17 4.837 -11.918 -0.718 118 HG SER 17 HG SER 17 6.771 -13.176 -0.743 119 H VAL 18 H VAL 18 3.362 -9.579 -0.902 120 HA VAL 18 HA VAL 18 3.267 -7.313 0.858 121 HB VAL 18 HB VAL 18 0.868 -7.342 0.573 122 HG11 VAL 18 HG11 VAL 18 0.705 -7.306 -1.842 123 HG12 VAL 18 HG12 VAL 18 2.318 -6.719 -1.380 124 HG13 VAL 18 HG13 VAL 18 2.117 -8.376 -1.999 125 HG21 VAL 18 HG21 VAL 18 1.156 -10.160 -0.580 126 HG22 VAL 18 HG22 VAL 18 0.403 -9.741 0.975 127 HG23 VAL 18 HG23 VAL 18 -0.337 -9.199 -0.541 128 H GLU 19 H GLU 19 3.183 -10.697 1.292 129 HA GLU 19 HA GLU 19 1.951 -10.851 3.863 130 HB2 GLU 19 HB2 GLU 19 3.985 -12.527 2.376 131 HB3 GLU 19 HB3 GLU 19 3.228 -13.026 3.905 132 HG2 GLU 19 HG2 GLU 19 1.677 -13.991 2.611 133 HG3 GLU 19 HG3 GLU 19 1.049 -12.347 2.387 134 H GLU 20 H GLU 20 5.272 -10.033 2.815 135 HA GLU 20 HA GLU 20 6.491 -10.484 5.239 136 HB2 GLU 20 HB2 GLU 20 7.199 -8.654 3.055 137 HB3 GLU 20 HB3 GLU 20 7.893 -8.299 4.639 138 HG2 GLU 20 HG2 GLU 20 9.380 -9.631 3.817 139 HG3 GLU 20 HG3 GLU 20 8.325 -10.695 4.786 140 H GLU 21 H GLU 21 7.065 -9.796 6.973 141 HA GLU 21 HA GLU 21 5.324 -8.043 8.049 142 HB2 GLU 21 HB2 GLU 21 7.929 -8.998 9.173 143 HB3 GLU 21 HB3 GLU 21 6.823 -7.962 10.087 144 HG2 GLU 21 HG2 GLU 21 5.029 -9.745 9.607 145 HG3 GLU 21 HG3 GLU 21 6.382 -10.799 9.157 146 H GLY 22 H GLY 22 8.367 -7.529 6.591 147 HA2 GLY 22 HA2 GLY 22 8.742 -4.809 7.486 148 HA3 GLY 22 HA3 GLY 22 9.539 -5.591 6.106 149 H VAL 23 H VAL 23 6.745 -6.327 5.009 150 HA VAL 23 HA VAL 23 6.305 -3.747 3.666 151 HB VAL 23 HB VAL 23 5.131 -6.544 3.209 152 HG11 VAL 23 HG11 VAL 23 3.444 -5.115 2.466 153 HG12 VAL 23 HG12 VAL 23 4.598 -3.943 1.776 154 HG13 VAL 23 HG13 VAL 23 4.349 -5.533 1.012 155 HG21 VAL 23 HG21 VAL 23 7.482 -6.279 2.571 156 HG22 VAL 23 HG22 VAL 23 6.435 -6.509 1.163 157 HG23 VAL 23 HG23 VAL 23 7.026 -4.888 1.549 158 H ARG 24 H ARG 24 4.322 -6.169 5.471 159 HA ARG 24 HA ARG 24 1.906 -4.765 5.306 160 HB2 ARG 24 HB2 ARG 24 2.931 -6.461 7.617 161 HB3 ARG 24 HB3 ARG 24 1.249 -5.965 7.362 162 HG2 ARG 24 HG2 ARG 24 1.482 -7.077 5.045 163 HG3 ARG 24 HG3 ARG 24 2.931 -7.854 5.703 164 HD2 ARG 24 HD2 ARG 24 1.094 -9.363 5.886 165 HD3 ARG 24 HD3 ARG 24 1.533 -8.809 7.522 166 HE ARG 24 HE ARG 24 -0.444 -7.043 6.666 167 HH11 ARG 24 HH11 ARG 24 -0.309 -10.543 7.094 168 HH12 ARG 24 HH12 ARG 24 -2.011 -10.656 7.455 169 HH21 ARG 24 HH21 ARG 24 -2.592 -7.256 7.144 170 HH22 ARG 24 HH22 ARG 24 -3.284 -8.822 7.469 171 H ARG 25 H ARG 25 4.508 -4.314 7.725 172 HA ARG 25 HA ARG 25 2.999 -2.453 9.271 173 HB2 ARG 25 HB2 ARG 25 5.025 -1.776 10.278 174 HB3 ARG 25 HB3 ARG 25 5.103 -3.527 10.028 175 HG2 ARG 25 HG2 ARG 25 7.182 -3.128 9.216 176 HG3 ARG 25 HG3 ARG 25 6.382 -2.552 7.732 177 HD2 ARG 25 HD2 ARG 25 6.463 -0.253 8.518 178 HD3 ARG 25 HD3 ARG 25 6.882 -0.761 10.156 179 HE ARG 25 HE ARG 25 8.782 -1.215 7.909 180 HH11 ARG 25 HH11 ARG 25 8.102 0.276 11.046 181 HH12 ARG 25 HH12 ARG 25 9.755 0.774 11.270 182 HH21 ARG 25 HH21 ARG 25 10.880 -0.523 8.277 183 HH22 ARG 25 HH22 ARG 25 11.278 0.343 9.738 184 H ALA 26 H ALA 26 4.709 -2.010 6.259 185 HA ALA 26 HA ALA 26 4.827 0.883 6.522 186 HB1 ALA 26 HB1 ALA 26 6.648 -0.493 5.445 187 HB2 ALA 26 HB2 ALA 26 5.491 -0.913 4.157 188 HB3 ALA 26 HB3 ALA 26 5.974 0.775 4.407 189 H LEU 27 H LEU 27 3.020 -1.716 4.952 190 HA LEU 27 HA LEU 27 1.464 -0.109 3.158 191 HB2 LEU 27 HB2 LEU 27 0.633 -2.644 4.645 192 HB3 LEU 27 HB3 LEU 27 -0.206 -1.917 3.295 193 HG LEU 27 HG LEU 27 2.328 -3.520 3.305 194 HD11 LEU 27 HD11 LEU 27 0.142 -4.639 3.065 195 HD12 LEU 27 HD12 LEU 27 -0.227 -3.618 1.656 196 HD13 LEU 27 HD13 LEU 27 1.116 -4.782 1.589 197 HD21 LEU 27 HD21 LEU 27 2.975 -1.654 1.988 198 HD22 LEU 27 HD22 LEU 27 2.529 -2.943 0.865 199 HD23 LEU 27 HD23 LEU 27 1.405 -1.595 1.157 200 H ASP 28 H ASP 28 0.707 -1.446 6.401 201 HA ASP 28 HA ASP 28 -1.836 -0.137 6.526 202 HB2 ASP 28 HB2 ASP 28 -0.004 -1.162 8.763 203 HB3 ASP 28 HB3 ASP 28 -1.717 -0.756 8.956 204 H PHE 29 H PHE 29 1.436 0.747 7.570 205 HA PHE 29 HA PHE 29 0.685 3.064 9.082 206 HB2 PHE 29 HB2 PHE 29 2.885 1.960 9.206 207 HB3 PHE 29 HB3 PHE 29 3.213 2.405 7.530 208 HD1 PHE 29 HD1 PHE 29 2.908 3.629 11.004 209 HD2 PHE 29 HD2 PHE 29 3.809 4.724 6.944 210 HE1 PHE 29 HE1 PHE 29 3.904 5.771 11.804 211 HE2 PHE 29 HE2 PHE 29 4.820 6.852 7.734 212 HZ PHE 29 HZ PHE 29 4.867 7.385 10.163 213 H ALA 30 H ALA 30 1.720 2.585 5.638 214 HA ALA 30 HA ALA 30 1.555 5.360 4.933 215 HB1 ALA 30 HB1 ALA 30 0.892 2.936 3.202 216 HB2 ALA 30 HB2 ALA 30 1.326 4.560 2.623 217 HB3 ALA 30 HB3 ALA 30 2.529 3.585 3.504 218 H VAL 31 H VAL 31 -1.124 2.923 4.879 219 HA VAL 31 HA VAL 31 -3.002 4.648 3.443 220 HB VAL 31 HB VAL 31 -4.097 2.727 5.421 221 HG11 VAL 31 HG11 VAL 31 -4.500 2.951 2.502 222 HG12 VAL 31 HG12 VAL 31 -5.380 1.870 3.617 223 HG13 VAL 31 HG13 VAL 31 -5.510 3.631 3.811 224 HG21 VAL 31 HG21 VAL 31 -2.219 1.682 5.228 225 HG22 VAL 31 HG22 VAL 31 -3.435 0.756 4.308 226 HG23 VAL 31 HG23 VAL 31 -2.224 1.740 3.433 227 H GLY 32 H GLY 32 -2.150 3.698 6.746 228 HA2 GLY 32 HA2 GLY 32 -4.384 4.883 8.030 229 HA3 GLY 32 HA3 GLY 32 -2.823 4.508 8.785 230 H GLU 33 H GLU 33 -1.290 6.000 6.874 231 HA GLU 33 HA GLU 33 -1.618 8.614 8.303 232 HB2 GLU 33 HB2 GLU 33 0.525 7.404 8.120 233 HB3 GLU 33 HB3 GLU 33 0.493 7.612 6.372 234 HG2 GLU 33 HG2 GLU 33 0.717 10.026 6.646 235 HG3 GLU 33 HG3 GLU 33 0.672 9.837 8.411 236 H TYR 34 H TYR 34 -2.100 7.255 5.151 237 HA TYR 34 HA TYR 34 -2.252 9.904 4.059 238 HB2 TYR 34 HB2 TYR 34 -1.179 8.238 2.662 239 HB3 TYR 34 HB3 TYR 34 -2.711 7.347 2.547 240 HD1 TYR 34 HD1 TYR 34 -1.196 10.736 1.934 241 HD2 TYR 34 HD2 TYR 34 -4.300 7.967 0.853 242 HE1 TYR 34 HE1 TYR 34 -1.924 12.261 0.104 243 HE2 TYR 34 HE2 TYR 34 -5.041 9.508 -0.957 244 HH TYR 34 HH TYR 34 -3.456 12.660 -1.528 245 H ASN 35 H ASN 35 -4.319 7.146 4.090 246 HA ASN 35 HA ASN 35 -6.609 8.624 3.051 247 HB2 ASN 35 HB2 ASN 35 -5.924 5.746 3.709 248 HB3 ASN 35 HB3 ASN 35 -7.596 6.219 3.353 249 HD21 ASN 35 HD21 ASN 35 -4.957 4.901 2.009 250 HD22 ASN 35 HD22 ASN 35 -5.180 5.409 0.352 251 H LYS 36 H LYS 36 -5.883 6.681 5.958 252 HA LYS 36 HA LYS 36 -8.437 7.290 7.214 253 HB2 LYS 36 HB2 LYS 36 -7.287 5.255 7.791 254 HB3 LYS 36 HB3 LYS 36 -5.807 6.144 8.121 255 HG2 LYS 36 HG2 LYS 36 -8.123 6.822 9.852 256 HG3 LYS 36 HG3 LYS 36 -7.389 5.221 10.079 257 HD2 LYS 36 HD2 LYS 36 -5.390 6.078 10.851 258 HD3 LYS 36 HD3 LYS 36 -5.476 7.487 9.798 259 HE2 LYS 36 HE2 LYS 36 -5.647 8.226 12.088 260 HE3 LYS 36 HE3 LYS 36 -7.179 8.519 11.244 261 HZ1 LYS 36 HZ1 LYS 36 -8.060 6.529 12.281 262 HZ2 LYS 36 HZ2 LYS 36 -6.635 6.253 13.066 263 HZ3 LYS 36 HZ3 LYS 36 -7.533 7.589 13.430 264 H ALA 37 H ALA 37 -5.231 8.740 7.158 265 HA ALA 37 HA ALA 37 -5.615 10.366 9.486 266 HB1 ALA 37 HB1 ALA 37 -3.840 11.026 7.196 267 HB2 ALA 37 HB2 ALA 37 -3.639 11.422 8.911 268 HB3 ALA 37 HB3 ALA 37 -3.432 9.735 8.360 269 H SER 38 H SER 38 -6.298 10.549 6.032 270 HA SER 38 HA SER 38 -7.188 13.344 6.084 271 HB2 SER 38 HB2 SER 38 -6.208 12.295 4.063 272 HB3 SER 38 HB3 SER 38 -7.579 11.170 3.992 273 HG SER 38 HG SER 38 -7.883 12.963 2.622 274 H ASN 39 H ASN 39 -9.367 14.018 5.589 275 HA ASN 39 HA ASN 39 -11.408 12.288 6.898 276 HB2 ASN 39 HB2 ASN 39 -10.947 14.731 7.555 277 HB3 ASN 39 HB3 ASN 39 -11.703 15.156 6.009 278 HD21 ASN 39 HD21 ASN 39 -13.723 15.801 6.311 279 HD22 ASN 39 HD22 ASN 39 -14.857 15.107 7.444 280 H ASP 40 H ASP 40 -10.841 11.226 4.529 281 HA ASP 40 HA ASP 40 -12.173 12.385 2.277 282 HB2 ASP 40 HB2 ASP 40 -10.453 10.475 2.309 283 HB3 ASP 40 HB3 ASP 40 -11.812 9.407 2.688 284 H MET 41 H MET 41 -14.214 12.407 1.650 285 HA MET 41 HA MET 41 -16.308 11.894 3.499 286 HB2 MET 41 HB2 MET 41 -17.783 12.614 1.756 287 HB3 MET 41 HB3 MET 41 -16.326 13.610 1.718 288 HG2 MET 41 HG2 MET 41 -15.479 12.185 -0.167 289 HG3 MET 41 HG3 MET 41 -17.051 11.369 -0.180 290 HE1 MET 41 HE1 MET 41 -19.334 12.519 -0.748 291 HE2 MET 41 HE2 MET 41 -19.160 13.893 0.367 292 HE3 MET 41 HE3 MET 41 -19.521 14.182 -1.350 293 H TYR 42 H TYR 42 -14.826 9.752 1.180 294 HA TYR 42 HA TYR 42 -16.868 7.690 1.941 295 HB2 TYR 42 HB2 TYR 42 -15.552 7.913 -0.777 296 HB3 TYR 42 HB3 TYR 42 -16.666 6.660 -0.263 297 HD1 TYR 42 HD1 TYR 42 -16.453 9.387 -2.339 298 HD2 TYR 42 HD2 TYR 42 -18.984 7.899 0.810 299 HE1 TYR 42 HE1 TYR 42 -18.360 10.717 -3.236 300 HE2 TYR 42 HE2 TYR 42 -20.884 9.237 -0.097 301 HH TYR 42 HH TYR 42 -20.551 11.292 -2.997 302 H HIS 43 H HIS 43 -15.734 5.450 1.680 303 HA HIS 43 HA HIS 43 -13.176 5.819 3.045 304 HB2 HIS 43 HB2 HIS 43 -14.836 3.398 2.325 305 HB3 HIS 43 HB3 HIS 43 -13.210 3.257 3.002 306 HD1 HIS 43 HD1 HIS 43 -12.910 4.668 5.405 307 HD2 HIS 43 HD2 HIS 43 -16.741 3.554 4.243 308 HE1 HIS 43 HE1 HIS 43 -14.337 4.735 7.482 309 H SER 44 H SER 44 -11.438 6.257 1.974 310 HA SER 44 HA SER 44 -10.841 4.860 -0.580 311 HB2 SER 44 HB2 SER 44 -9.489 7.188 0.860 312 HB3 SER 44 HB3 SER 44 -8.966 6.500 -0.694 313 HG SER 44 HG SER 44 -10.593 8.446 -0.446 314 H ARG 45 H ARG 45 -9.050 3.487 -0.621 315 HA ARG 45 HA ARG 45 -7.416 3.143 1.801 316 HB2 ARG 45 HB2 ARG 45 -8.045 0.836 2.200 317 HB3 ARG 45 HB3 ARG 45 -9.507 1.824 2.277 318 HG2 ARG 45 HG2 ARG 45 -10.096 1.108 -0.046 319 HG3 ARG 45 HG3 ARG 45 -8.633 0.107 -0.085 320 HD2 ARG 45 HD2 ARG 45 -10.096 -1.501 0.567 321 HD3 ARG 45 HD3 ARG 45 -9.680 -0.867 2.169 322 HE ARG 45 HE ARG 45 -11.922 0.565 1.076 323 HH11 ARG 45 HH11 ARG 45 -11.136 -2.553 2.543 324 HH12 ARG 45 HH12 ARG 45 -12.766 -2.804 3.106 325 HH21 ARG 45 HH21 ARG 45 -13.985 0.170 1.811 326 HH22 ARG 45 HH22 ARG 45 -14.337 -1.280 2.722 327 H ALA 46 H ALA 46 -5.686 1.531 1.405 328 HA ALA 46 HA ALA 46 -4.853 1.418 -1.393 329 HB1 ALA 46 HB1 ALA 46 -3.043 1.461 0.329 330 HB2 ALA 46 HB2 ALA 46 -3.776 0.088 1.194 331 HB3 ALA 46 HB3 ALA 46 -3.037 -0.152 -0.421 332 H LEU 47 H LEU 47 -6.352 0.250 -2.595 333 HA LEU 47 HA LEU 47 -7.883 -1.937 -1.471 334 HB2 LEU 47 HB2 LEU 47 -7.329 -0.845 -4.214 335 HB3 LEU 47 HB3 LEU 47 -8.023 -2.443 -4.072 336 HG LEU 47 HG LEU 47 -9.338 0.095 -3.072 337 HD11 LEU 47 HD11 LEU 47 -10.775 -0.396 -5.089 338 HD12 LEU 47 HD12 LEU 47 -9.089 0.018 -5.480 339 HD13 LEU 47 HD13 LEU 47 -9.615 -1.678 -5.536 340 HD21 LEU 47 HD21 LEU 47 -11.343 -1.410 -2.945 341 HD22 LEU 47 HD22 LEU 47 -10.292 -2.803 -3.306 342 HD23 LEU 47 HD23 LEU 47 -10.073 -1.885 -1.799 343 H GLN 48 H GLN 48 -5.143 -1.657 -3.670 344 HA GLN 48 HA GLN 48 -4.358 -4.425 -3.083 345 HB2 GLN 48 HB2 GLN 48 -6.073 -4.444 -4.929 346 HB3 GLN 48 HB3 GLN 48 -5.022 -3.398 -5.879 347 HG2 GLN 48 HG2 GLN 48 -4.806 -5.767 -6.555 348 HG3 GLN 48 HG3 GLN 48 -3.277 -5.124 -5.936 349 HE21 GLN 48 HE21 GLN 48 -5.967 -7.289 -5.309 350 HE22 GLN 48 HE22 GLN 48 -5.186 -8.162 -4.003 351 H VAL 49 H VAL 49 -2.210 -4.553 -3.017 352 HA VAL 49 HA VAL 49 -0.673 -2.208 -3.840 353 HB VAL 49 HB VAL 49 -0.084 -4.607 -2.133 354 HG11 VAL 49 HG11 VAL 49 1.727 -4.747 -3.790 355 HG12 VAL 49 HG12 VAL 49 2.086 -3.017 -3.548 356 HG13 VAL 49 HG13 VAL 49 2.325 -4.185 -2.232 357 HG21 VAL 49 HG21 VAL 49 -0.654 -2.345 -1.153 358 HG22 VAL 49 HG22 VAL 49 0.975 -2.864 -0.704 359 HG23 VAL 49 HG23 VAL 49 0.760 -1.606 -1.962 360 H VAL 50 H VAL 50 0.273 -1.967 -5.695 361 HA VAL 50 HA VAL 50 0.145 -4.148 -7.661 362 HB VAL 50 HB VAL 50 1.371 -1.351 -7.928 363 HG11 VAL 50 HG11 VAL 50 0.360 -3.309 -10.048 364 HG12 VAL 50 HG12 VAL 50 1.056 -1.698 -10.353 365 HG13 VAL 50 HG13 VAL 50 2.068 -2.991 -9.677 366 HG21 VAL 50 HG21 VAL 50 -1.456 -2.300 -8.521 367 HG22 VAL 50 HG22 VAL 50 -0.962 -1.087 -7.319 368 HG23 VAL 50 HG23 VAL 50 -0.780 -0.741 -9.047 369 H ARG 51 H ARG 51 2.512 -2.198 -5.824 370 HA ARG 51 HA ARG 51 4.561 -4.328 -6.246 371 HB2 ARG 51 HB2 ARG 51 5.195 -1.374 -6.591 372 HB3 ARG 51 HB3 ARG 51 6.284 -2.732 -6.827 373 HG2 ARG 51 HG2 ARG 51 3.898 -2.117 -8.594 374 HG3 ARG 51 HG3 ARG 51 5.559 -1.622 -8.933 375 HD2 ARG 51 HD2 ARG 51 6.279 -3.947 -9.037 376 HD3 ARG 51 HD3 ARG 51 4.661 -4.485 -8.568 377 HE ARG 51 HE ARG 51 4.777 -2.853 -10.994 378 HH11 ARG 51 HH11 ARG 51 4.654 -6.121 -9.672 379 HH12 ARG 51 HH12 ARG 51 4.125 -6.813 -11.182 380 HH21 ARG 51 HH21 ARG 51 4.086 -3.805 -12.886 381 HH22 ARG 51 HH22 ARG 51 3.798 -5.521 -12.961 382 H ALA 52 H ALA 52 5.836 -4.619 -4.416 383 HA ALA 52 HA ALA 52 5.818 -2.465 -2.354 384 HB1 ALA 52 HB1 ALA 52 5.008 -5.376 -1.980 385 HB2 ALA 52 HB2 ALA 52 5.690 -4.419 -0.649 386 HB3 ALA 52 HB3 ALA 52 4.179 -3.903 -1.412 387 H ARG 53 H ARG 53 7.851 -1.880 -2.387 388 HA ARG 53 HA ARG 53 9.887 -4.031 -2.191 389 HB2 ARG 53 HB2 ARG 53 11.244 -2.939 -3.948 390 HB3 ARG 53 HB3 ARG 53 9.768 -3.669 -4.542 391 HG2 ARG 53 HG2 ARG 53 9.881 -0.779 -3.952 392 HG3 ARG 53 HG3 ARG 53 10.498 -1.459 -5.463 393 HD2 ARG 53 HD2 ARG 53 8.217 -2.622 -5.641 394 HD3 ARG 53 HD3 ARG 53 7.694 -1.491 -4.391 395 HE ARG 53 HE ARG 53 7.571 0.202 -5.942 396 HH11 ARG 53 HH11 ARG 53 9.390 -2.473 -7.408 397 HH12 ARG 53 HH12 ARG 53 9.356 -1.729 -8.985 398 HH21 ARG 53 HH21 ARG 53 7.512 1.032 -7.940 399 HH22 ARG 53 HH22 ARG 53 8.327 0.251 -9.282 400 H LYS 54 H LYS 54 11.986 -3.284 -1.712 401 HA LYS 54 HA LYS 54 12.064 -0.599 -0.567 402 HB2 LYS 54 HB2 LYS 54 12.772 -1.439 1.688 403 HB3 LYS 54 HB3 LYS 54 11.083 -1.686 1.309 404 HG2 LYS 54 HG2 LYS 54 13.195 -3.888 1.065 405 HG3 LYS 54 HG3 LYS 54 12.263 -3.594 2.528 406 HD2 LYS 54 HD2 LYS 54 11.271 -4.685 -0.129 407 HD3 LYS 54 HD3 LYS 54 11.229 -5.450 1.450 408 HE2 LYS 54 HE2 LYS 54 9.581 -3.006 0.670 409 HE3 LYS 54 HE3 LYS 54 9.000 -4.675 0.661 410 HZ1 LYS 54 HZ1 LYS 54 9.434 -4.770 3.033 411 HZ2 LYS 54 HZ2 LYS 54 9.956 -3.203 3.039 412 HZ3 LYS 54 HZ3 LYS 54 8.383 -3.550 2.684 413 H GLN 55 H GLN 55 14.119 0.066 0.135 414 HA GLN 55 HA GLN 55 16.351 -1.349 -1.240 415 HB2 GLN 55 HB2 GLN 55 15.920 1.080 -1.688 416 HB3 GLN 55 HB3 GLN 55 16.105 1.399 0.037 417 HG2 GLN 55 HG2 GLN 55 18.459 0.618 -0.081 418 HG3 GLN 55 HG3 GLN 55 18.267 0.372 -1.826 419 HE21 GLN 55 HE21 GLN 55 20.237 1.952 -1.374 420 HE22 GLN 55 HE22 GLN 55 19.829 3.640 -1.569 421 H ILE 56 H ILE 56 17.949 -2.304 -0.015 422 HA ILE 56 HA ILE 56 17.772 -1.948 2.961 423 HB ILE 56 HB ILE 56 18.618 -4.428 1.376 424 HG12 ILE 56 HG12 ILE 56 16.197 -4.144 1.224 425 HG13 ILE 56 HG13 ILE 56 16.605 -5.522 2.240 426 HG21 ILE 56 HG21 ILE 56 19.871 -4.359 3.432 427 HG22 ILE 56 HG22 ILE 56 18.434 -3.912 4.378 428 HG23 ILE 56 HG23 ILE 56 18.562 -5.537 3.668 429 HD11 ILE 56 HD11 ILE 56 15.635 -2.791 3.228 430 HD12 ILE 56 HD12 ILE 56 14.725 -4.311 3.229 431 HD13 ILE 56 HD13 ILE 56 16.133 -4.126 4.288 432 H GLY 57 H GLY 57 19.674 -1.224 3.865 433 HA2 GLY 57 HA2 GLY 57 22.262 -1.821 3.245 434 HA3 GLY 57 HA3 GLY 57 21.852 -0.587 2.033 435 H ALA 58 H ALA 58 23.369 0.869 2.989 436 HA ALA 58 HA ALA 58 23.267 1.712 5.719 437 HB1 ALA 58 HB1 ALA 58 25.216 2.105 4.258 438 HB2 ALA 58 HB2 ALA 58 24.244 3.189 3.229 439 HB3 ALA 58 HB3 ALA 58 24.603 3.641 4.911 440 H GLY 59 H GLY 59 21.127 2.293 3.104 441 HA2 GLY 59 HA2 GLY 59 19.614 4.202 4.809 442 HA3 GLY 59 HA3 GLY 59 19.867 4.560 3.070 443 H VAL 60 H VAL 60 17.423 3.593 4.820 444 HA VAL 60 HA VAL 60 16.800 1.226 3.096 445 HB VAL 60 HB VAL 60 15.863 1.887 5.925 446 HG11 VAL 60 HG11 VAL 60 15.061 -0.467 4.152 447 HG12 VAL 60 HG12 VAL 60 14.577 -0.219 5.842 448 HG13 VAL 60 HG13 VAL 60 14.009 0.899 4.587 449 HG21 VAL 60 HG21 VAL 60 16.975 -0.240 6.532 450 HG22 VAL 60 HG22 VAL 60 17.514 -0.438 4.848 451 HG23 VAL 60 HG23 VAL 60 18.129 0.909 5.830 452 H ASN 61 H ASN 61 15.122 1.541 1.723 453 HA ASN 61 HA ASN 61 13.363 3.900 2.241 454 HB2 ASN 61 HB2 ASN 61 15.352 4.427 0.720 455 HB3 ASN 61 HB3 ASN 61 14.645 3.305 -0.448 456 HD21 ASN 61 HD21 ASN 61 14.684 5.254 -1.777 457 HD22 ASN 61 HD22 ASN 61 13.313 6.335 -1.682 458 H TYR 62 H TYR 62 11.346 3.211 2.240 459 HA TYR 62 HA TYR 62 10.655 0.688 0.832 460 HB2 TYR 62 HB2 TYR 62 9.124 2.486 2.754 461 HB3 TYR 62 HB3 TYR 62 8.470 1.014 2.040 462 HD1 TYR 62 HD1 TYR 62 9.067 -1.161 2.890 463 HD2 TYR 62 HD2 TYR 62 10.976 2.353 4.462 464 HE1 TYR 62 HE1 TYR 62 10.002 -2.501 4.797 465 HE2 TYR 62 HE2 TYR 62 11.895 1.002 6.344 466 HH TYR 62 HH TYR 62 11.342 -2.508 6.628 467 H PHE 63 H PHE 63 9.430 0.619 -0.979 468 HA PHE 63 HA PHE 63 7.958 3.102 -1.819 469 HB2 PHE 63 HB2 PHE 63 9.667 1.158 -3.366 470 HB3 PHE 63 HB3 PHE 63 8.258 1.885 -4.145 471 HD1 PHE 63 HD1 PHE 63 11.680 2.424 -3.014 472 HD2 PHE 63 HD2 PHE 63 8.101 4.356 -4.420 473 HE1 PHE 63 HE1 PHE 63 13.007 4.447 -3.595 474 HE2 PHE 63 HE2 PHE 63 9.416 6.388 -4.987 475 HZ PHE 63 HZ PHE 63 11.878 6.437 -4.588 476 H LEU 64 H LEU 64 5.847 2.726 -1.608 477 HA LEU 64 HA LEU 64 4.850 -0.067 -2.094 478 HB2 LEU 64 HB2 LEU 64 3.654 2.108 -0.337 479 HB3 LEU 64 HB3 LEU 64 2.965 0.528 -0.631 480 HG LEU 64 HG LEU 64 3.727 0.276 1.466 481 HD11 LEU 64 HD11 LEU 64 5.671 -1.126 1.582 482 HD12 LEU 64 HD12 LEU 64 4.861 -1.459 0.038 483 HD13 LEU 64 HD13 LEU 64 6.329 -0.456 0.074 484 HD21 LEU 64 HD21 LEU 64 5.818 1.279 2.375 485 HD22 LEU 64 HD22 LEU 64 6.138 2.010 0.796 486 HD23 LEU 64 HD23 LEU 64 4.702 2.488 1.725 487 H ASP 65 H ASP 65 3.803 -0.132 -3.966 488 HA ASP 65 HA ASP 65 2.389 2.383 -4.837 489 HB2 ASP 65 HB2 ASP 65 3.579 0.135 -6.562 490 HB3 ASP 65 HB3 ASP 65 2.779 1.592 -7.164 491 H VAL 66 H VAL 66 0.598 2.407 -5.226 492 HA VAL 66 HA VAL 66 -1.090 0.081 -4.875 493 HB VAL 66 HB VAL 66 -0.251 1.704 -2.688 494 HG11 VAL 66 HG11 VAL 66 -3.238 1.486 -3.155 495 HG12 VAL 66 HG12 VAL 66 -2.393 2.140 -1.720 496 HG13 VAL 66 HG13 VAL 66 -2.287 2.999 -3.253 497 HG21 VAL 66 HG21 VAL 66 -1.203 0.067 -1.500 498 HG22 VAL 66 HG22 VAL 66 -2.253 -0.437 -2.865 499 HG23 VAL 66 HG23 VAL 66 -0.499 -0.588 -2.964 500 H GLU 67 H GLU 67 -3.030 -0.002 -5.331 501 HA GLU 67 HA GLU 67 -4.059 2.177 -7.068 502 HB2 GLU 67 HB2 GLU 67 -3.825 -0.196 -7.883 503 HB3 GLU 67 HB3 GLU 67 -5.045 -0.678 -6.701 504 HG2 GLU 67 HG2 GLU 67 -6.728 0.609 -7.803 505 HG3 GLU 67 HG3 GLU 67 -5.522 1.433 -8.807 506 H LEU 68 H LEU 68 -5.766 3.368 -6.461 507 HA LEU 68 HA LEU 68 -7.155 2.621 -3.917 508 HB2 LEU 68 HB2 LEU 68 -6.450 5.245 -5.142 509 HB3 LEU 68 HB3 LEU 68 -7.956 5.139 -4.242 510 HG LEU 68 HG LEU 68 -6.755 4.491 -2.227 511 HD11 LEU 68 HD11 LEU 68 -4.856 3.335 -2.947 512 HD12 LEU 68 HD12 LEU 68 -4.299 4.686 -3.950 513 HD13 LEU 68 HD13 LEU 68 -4.253 4.816 -2.175 514 HD21 LEU 68 HD21 LEU 68 -5.640 6.687 -1.848 515 HD22 LEU 68 HD22 LEU 68 -5.774 7.012 -3.591 516 HD23 LEU 68 HD23 LEU 68 -7.237 6.815 -2.607 517 H GLY 69 H GLY 69 -9.279 2.848 -3.648 518 HA2 GLY 69 HA2 GLY 69 -10.991 3.577 -5.926 519 HA3 GLY 69 HA3 GLY 69 -11.179 1.922 -5.248 520 H ARG 70 H ARG 70 -13.067 4.212 -5.021 521 HA ARG 70 HA ARG 70 -12.961 4.653 -2.050 522 HB2 ARG 70 HB2 ARG 70 -14.544 6.103 -4.211 523 HB3 ARG 70 HB3 ARG 70 -14.794 6.288 -2.474 524 HG2 ARG 70 HG2 ARG 70 -12.201 6.828 -2.486 525 HG3 ARG 70 HG3 ARG 70 -12.508 7.260 -4.169 526 HD2 ARG 70 HD2 ARG 70 -14.231 8.891 -3.443 527 HD3 ARG 70 HD3 ARG 70 -14.021 8.365 -1.762 528 HE ARG 70 HE ARG 70 -12.089 9.587 -1.552 529 HH11 ARG 70 HH11 ARG 70 -13.014 9.682 -4.985 530 HH12 ARG 70 HH12 ARG 70 -11.809 10.911 -5.333 531 HH21 ARG 70 HH21 ARG 70 -10.641 11.117 -2.112 532 HH22 ARG 70 HH22 ARG 70 -10.521 11.696 -3.772 533 H THR 71 H THR 71 -14.067 3.147 -1.037 534 HA THR 71 HA THR 71 -15.867 1.536 -2.667 535 HB THR 71 HB THR 71 -15.898 0.012 -0.701 536 HG1 THR 71 HG1 THR 71 -15.584 1.937 0.770 537 HG21 THR 71 HG21 THR 71 -13.058 0.950 -1.242 538 HG22 THR 71 HG22 THR 71 -13.605 -0.684 -0.796 539 HG23 THR 71 HG23 THR 71 -14.005 -0.019 -2.390 540 H THR 72 H THR 72 -17.995 1.060 -2.266 541 HA THR 72 HA THR 72 -19.530 3.208 -1.017 542 HB THR 72 HB THR 72 -21.481 1.824 -1.803 543 HG1 THR 72 HG1 THR 72 -20.921 -0.022 -3.076 544 HG21 THR 72 HG21 THR 72 -19.326 2.159 -3.936 545 HG22 THR 72 HG22 THR 72 -21.085 2.127 -4.181 546 HG23 THR 72 HG23 THR 72 -20.339 3.485 -3.312 547 H CYS 73 H CYS 73 -18.059 0.441 0.205 548 HA CYS 73 HA CYS 73 -20.183 0.019 2.261 549 HB2 CYS 73 HB2 CYS 73 -18.688 -1.822 3.024 550 HB3 CYS 73 HB3 CYS 73 -19.320 -2.050 1.380 551 H THR 74 H THR 74 -19.416 -0.115 4.503 552 HA THR 74 HA THR 74 -17.212 1.761 4.993 553 HB THR 74 HB THR 74 -18.514 3.191 6.309 554 HG1 THR 74 HG1 THR 74 -20.560 2.451 7.181 555 HG21 THR 74 HG21 THR 74 -20.597 3.693 5.262 556 HG22 THR 74 HG22 THR 74 -19.453 3.221 3.990 557 HG23 THR 74 HG23 THR 74 -20.702 2.067 4.549 558 H LYS 75 H LYS 75 -16.907 2.051 7.386 559 HA LYS 75 HA LYS 75 -16.030 -0.348 8.548 560 HB2 LYS 75 HB2 LYS 75 -15.765 1.108 10.585 561 HB3 LYS 75 HB3 LYS 75 -15.132 1.850 9.106 562 HG2 LYS 75 HG2 LYS 75 -17.297 3.152 8.868 563 HG3 LYS 75 HG3 LYS 75 -17.819 2.492 10.429 564 HD2 LYS 75 HD2 LYS 75 -15.858 3.538 11.524 565 HD3 LYS 75 HD3 LYS 75 -15.322 4.168 9.949 566 HE2 LYS 75 HE2 LYS 75 -17.472 5.423 9.749 567 HE3 LYS 75 HE3 LYS 75 -17.932 4.854 11.367 568 HZ1 LYS 75 HZ1 LYS 75 -15.570 6.545 10.748 569 HZ2 LYS 75 HZ2 LYS 75 -16.970 7.071 11.443 570 HZ3 LYS 75 HZ3 LYS 75 -15.993 6.016 12.253 571 H THR 76 H THR 76 -19.174 1.089 8.772 572 HA THR 76 HA THR 76 -19.936 -0.746 10.997 573 HB THR 76 HB THR 76 -22.006 0.679 10.323 574 HG1 THR 76 HG1 THR 76 -21.464 2.723 9.669 575 HG21 THR 76 HG21 THR 76 -21.371 2.367 12.072 576 HG22 THR 76 HG22 THR 76 -20.985 0.711 12.589 577 HG23 THR 76 HG23 THR 76 -19.697 1.773 11.972 578 H GLN 77 H GLN 77 -20.267 -0.158 7.781 579 HA GLN 77 HA GLN 77 -22.753 -1.605 7.282 580 HB2 GLN 77 HB2 GLN 77 -20.669 -0.377 5.507 581 HB3 GLN 77 HB3 GLN 77 -21.889 -1.439 4.823 582 HG2 GLN 77 HG2 GLN 77 -22.456 1.093 6.409 583 HG3 GLN 77 HG3 GLN 77 -22.530 0.940 4.647 584 HE21 GLN 77 HE21 GLN 77 -24.392 1.054 7.336 585 HE22 GLN 77 HE22 GLN 77 -25.776 0.161 6.759 586 HA PRO 78 HA PRO 78 -21.080 -5.616 7.189 587 HB2 PRO 78 HB2 PRO 78 -22.857 -6.970 5.657 588 HB3 PRO 78 HB3 PRO 78 -23.375 -6.138 7.159 589 HG2 PRO 78 HG2 PRO 78 -23.511 -5.150 4.312 590 HG3 PRO 78 HG3 PRO 78 -24.822 -5.235 5.533 591 HD2 PRO 78 HD2 PRO 78 -23.372 -2.950 5.076 592 HD3 PRO 78 HD3 PRO 78 -23.997 -3.384 6.708 593 H ASN 79 H ASN 79 -20.575 -7.563 5.780 594 HA ASN 79 HA ASN 79 -19.436 -8.610 4.141 595 HB2 ASN 79 HB2 ASN 79 -20.671 -6.546 2.292 596 HB3 ASN 79 HB3 ASN 79 -20.033 -8.130 1.837 597 HD21 ASN 79 HD21 ASN 79 -22.772 -6.780 1.787 598 HD22 ASN 79 HD22 ASN 79 -23.817 -7.988 2.497 599 H LEU 80 H LEU 80 -17.719 -6.868 5.472 600 HA LEU 80 HA LEU 80 -16.201 -5.263 3.661 601 HB2 LEU 80 HB2 LEU 80 -15.707 -6.353 6.383 602 HB3 LEU 80 HB3 LEU 80 -14.315 -5.828 5.443 603 HG LEU 80 HG LEU 80 -15.533 -3.641 5.050 604 HD11 LEU 80 HD11 LEU 80 -17.781 -4.213 5.733 605 HD12 LEU 80 HD12 LEU 80 -17.218 -4.737 7.338 606 HD13 LEU 80 HD13 LEU 80 -17.147 -3.027 6.877 607 HD21 LEU 80 HD21 LEU 80 -13.609 -3.906 6.526 608 HD22 LEU 80 HD22 LEU 80 -14.771 -2.758 7.228 609 HD23 LEU 80 HD23 LEU 80 -14.668 -4.417 7.866 610 H ASP 81 H ASP 81 -16.353 -8.679 3.767 611 HA ASP 81 HA ASP 81 -13.606 -8.958 2.743 612 HB2 ASP 81 HB2 ASP 81 -15.708 -11.082 2.455 613 HB3 ASP 81 HB3 ASP 81 -14.005 -11.239 2.908 614 H ASN 82 H ASN 82 -16.943 -9.040 1.637 615 HA ASN 82 HA ASN 82 -16.218 -9.747 -1.090 616 HB2 ASN 82 HB2 ASN 82 -18.276 -10.583 0.084 617 HB3 ASN 82 HB3 ASN 82 -18.929 -8.940 0.005 618 HD21 ASN 82 HD21 ASN 82 -20.446 -8.861 -1.505 619 HD22 ASN 82 HD22 ASN 82 -20.312 -9.558 -3.100 620 H CYS 83 H CYS 83 -17.257 -6.787 0.602 621 HA CYS 83 HA CYS 83 -17.910 -5.313 -1.745 622 HB2 CYS 83 HB2 CYS 83 -18.581 -4.422 0.337 623 HB3 CYS 83 HB3 CYS 83 -16.949 -4.507 0.998 624 HA PRO 84 HA PRO 84 -13.556 -3.741 -2.185 625 HB2 PRO 84 HB2 PRO 84 -11.410 -4.833 -0.877 626 HB3 PRO 84 HB3 PRO 84 -12.372 -3.465 -0.232 627 HG2 PRO 84 HG2 PRO 84 -12.536 -6.373 0.445 628 HG3 PRO 84 HG3 PRO 84 -12.568 -4.944 1.535 629 HD2 PRO 84 HD2 PRO 84 -14.793 -6.279 0.763 630 HD3 PRO 84 HD3 PRO 84 -14.769 -4.522 1.127 631 H PHE 85 H PHE 85 -13.957 -7.263 -1.641 632 HA PHE 85 HA PHE 85 -12.134 -8.082 -3.724 633 HB2 PHE 85 HB2 PHE 85 -14.552 -9.330 -2.384 634 HB3 PHE 85 HB3 PHE 85 -13.797 -10.096 -3.789 635 HD1 PHE 85 HD1 PHE 85 -13.872 -11.804 -1.643 636 HD2 PHE 85 HD2 PHE 85 -11.037 -8.591 -2.182 637 HE1 PHE 85 HE1 PHE 85 -12.256 -12.967 -0.154 638 HE2 PHE 85 HE2 PHE 85 -9.427 -9.767 -0.718 639 HZ PHE 85 HZ PHE 85 -10.029 -11.958 0.303 640 H HIS 86 H HIS 86 -15.451 -6.871 -3.760 641 HA HIS 86 HA HIS 86 -15.799 -7.465 -6.617 642 HB2 HIS 86 HB2 HIS 86 -17.779 -7.539 -5.306 643 HB3 HIS 86 HB3 HIS 86 -17.395 -6.019 -4.494 644 HD1 HIS 86 HD1 HIS 86 -18.007 -3.804 -5.716 645 HD2 HIS 86 HD2 HIS 86 -18.907 -7.242 -7.875 646 HE1 HIS 86 HE1 HIS 86 -19.462 -3.084 -7.645 647 H ASP 87 H ASP 87 -14.814 -4.767 -4.593 648 HA ASP 87 HA ASP 87 -15.279 -2.650 -6.431 649 HB2 ASP 87 HB2 ASP 87 -14.531 -2.733 -3.854 650 HB3 ASP 87 HB3 ASP 87 -12.941 -2.458 -4.576 651 H GLN 88 H GLN 88 -12.338 -4.599 -5.799 652 HA GLN 88 HA GLN 88 -10.598 -3.222 -7.531 653 HB2 GLN 88 HB2 GLN 88 -10.740 -5.994 -6.437 654 HB3 GLN 88 HB3 GLN 88 -9.627 -5.703 -7.784 655 HG2 GLN 88 HG2 GLN 88 -8.489 -4.027 -6.587 656 HG3 GLN 88 HG3 GLN 88 -9.688 -4.057 -5.280 657 HE21 GLN 88 HE21 GLN 88 -9.018 -5.072 -3.521 658 HE22 GLN 88 HE22 GLN 88 -7.926 -6.431 -3.484 659 HA PRO 89 HA PRO 89 -11.594 -5.832 -11.198 660 HB2 PRO 89 HB2 PRO 89 -13.876 -7.365 -11.392 661 HB3 PRO 89 HB3 PRO 89 -12.331 -8.006 -10.743 662 HG2 PRO 89 HG2 PRO 89 -14.670 -6.853 -9.199 663 HG3 PRO 89 HG3 PRO 89 -13.850 -8.429 -8.975 664 HD2 PRO 89 HD2 PRO 89 -13.201 -6.341 -7.484 665 HD3 PRO 89 HD3 PRO 89 -11.927 -7.430 -8.118 666 H HIS 90 H HIS 90 -14.215 -4.328 -9.358 667 HA HIS 90 HA HIS 90 -15.776 -3.589 -11.690 668 HB2 HIS 90 HB2 HIS 90 -16.531 -3.761 -9.231 669 HB3 HIS 90 HB3 HIS 90 -15.817 -2.158 -9.028 670 HD1 HIS 90 HD1 HIS 90 -18.855 -3.895 -10.208 671 HD2 HIS 90 HD2 HIS 90 -17.108 -0.154 -10.686 672 HE1 HIS 90 HE1 HIS 90 -20.641 -2.376 -11.148 673 H LEU 91 H LEU 91 -12.876 -2.365 -10.198 674 HA LEU 91 HA LEU 91 -13.137 0.395 -10.804 675 HB2 LEU 91 HB2 LEU 91 -10.693 -1.371 -10.571 676 HB3 LEU 91 HB3 LEU 91 -10.613 0.347 -10.827 677 HG LEU 91 HG LEU 91 -11.241 -1.146 -8.339 678 HD11 LEU 91 HD11 LEU 91 -9.604 1.298 -9.123 679 HD12 LEU 91 HD12 LEU 91 -9.709 0.640 -7.485 680 HD13 LEU 91 HD13 LEU 91 -9.001 -0.344 -8.773 681 HD21 LEU 91 HD21 LEU 91 -13.211 0.315 -8.487 682 HD22 LEU 91 HD22 LEU 91 -12.096 0.878 -7.241 683 HD23 LEU 91 HD23 LEU 91 -12.155 1.719 -8.811 684 H LYS 92 H LYS 92 -13.999 0.691 -12.860 685 HA LYS 92 HA LYS 92 -12.231 0.137 -15.181 686 HB2 LYS 92 HB2 LYS 92 -14.729 1.873 -14.972 687 HB3 LYS 92 HB3 LYS 92 -13.908 1.408 -16.464 688 HG2 LYS 92 HG2 LYS 92 -15.345 -0.484 -14.553 689 HG3 LYS 92 HG3 LYS 92 -15.974 0.112 -16.086 690 HD2 LYS 92 HD2 LYS 92 -15.173 -1.844 -16.908 691 HD3 LYS 92 HD3 LYS 92 -13.639 -0.968 -16.974 692 HE2 LYS 92 HE2 LYS 92 -13.317 -3.186 -15.961 693 HE3 LYS 92 HE3 LYS 92 -13.000 -1.923 -14.764 694 HZ1 LYS 92 HZ1 LYS 92 -15.189 -2.305 -13.843 695 HZ2 LYS 92 HZ2 LYS 92 -15.512 -3.472 -14.969 696 HZ3 LYS 92 HZ3 LYS 92 -14.322 -3.712 -13.846 697 H ARG 93 H ARG 93 -13.164 2.594 -12.890 698 HA ARG 93 HA ARG 93 -11.434 4.703 -13.957 699 HB2 ARG 93 HB2 ARG 93 -11.814 5.612 -11.574 700 HB3 ARG 93 HB3 ARG 93 -13.234 5.517 -12.614 701 HG2 ARG 93 HG2 ARG 93 -13.969 3.458 -11.480 702 HG3 ARG 93 HG3 ARG 93 -12.520 3.467 -10.464 703 HD2 ARG 93 HD2 ARG 93 -14.485 5.768 -10.496 704 HD3 ARG 93 HD3 ARG 93 -14.690 4.351 -9.453 705 HE ARG 93 HE ARG 93 -12.160 5.951 -9.351 706 HH11 ARG 93 HH11 ARG 93 -15.047 4.747 -7.672 707 HH12 ARG 93 HH12 ARG 93 -14.470 5.262 -6.116 708 HH21 ARG 93 HH21 ARG 93 -11.475 6.532 -7.372 709 HH22 ARG 93 HH22 ARG 93 -12.454 6.255 -5.940 710 H LYS 94 H LYS 94 -9.239 4.888 -13.442 711 HA LYS 94 HA LYS 94 -8.202 2.868 -11.481 712 HB2 LYS 94 HB2 LYS 94 -6.788 3.825 -13.999 713 HB3 LYS 94 HB3 LYS 94 -6.219 2.605 -12.865 714 HG2 LYS 94 HG2 LYS 94 -8.581 2.370 -14.784 715 HG3 LYS 94 HG3 LYS 94 -7.023 1.560 -14.925 716 HD2 LYS 94 HD2 LYS 94 -9.083 1.053 -12.747 717 HD3 LYS 94 HD3 LYS 94 -8.796 0.032 -14.151 718 HE2 LYS 94 HE2 LYS 94 -6.522 -0.450 -13.355 719 HE3 LYS 94 HE3 LYS 94 -6.771 0.636 -11.975 720 HZ1 LYS 94 HZ1 LYS 94 -7.197 -1.516 -11.197 721 HZ2 LYS 94 HZ2 LYS 94 -8.684 -0.826 -11.368 722 HZ3 LYS 94 HZ3 LYS 94 -8.160 -1.915 -12.486 723 H ALA 95 H ALA 95 -7.621 3.975 -9.734 724 HA ALA 95 HA ALA 95 -6.111 6.522 -10.142 725 HB1 ALA 95 HB1 ALA 95 -8.036 7.027 -8.855 726 HB2 ALA 95 HB2 ALA 95 -7.906 5.524 -7.907 727 HB3 ALA 95 HB3 ALA 95 -6.730 6.833 -7.668 728 H PHE 96 H PHE 96 -4.015 6.450 -9.630 729 HA PHE 96 HA PHE 96 -3.099 4.175 -7.941 730 HB2 PHE 96 HB2 PHE 96 -1.039 4.126 -9.310 731 HB3 PHE 96 HB3 PHE 96 -2.490 3.713 -10.230 732 HD1 PHE 96 HD1 PHE 96 -3.358 5.199 -11.983 733 HD2 PHE 96 HD2 PHE 96 0.183 6.219 -9.756 734 HE1 PHE 96 HE1 PHE 96 -2.807 6.946 -13.669 735 HE2 PHE 96 HE2 PHE 96 0.743 7.969 -11.439 736 HZ PHE 96 HZ PHE 96 -0.756 8.339 -13.399 737 H CYS 97 H CYS 97 -1.739 4.537 -6.419 738 HA CYS 97 HA CYS 97 -0.662 7.303 -6.043 739 HB2 CYS 97 HB2 CYS 97 -1.622 5.314 -3.961 740 HB3 CYS 97 HB3 CYS 97 -0.898 6.896 -3.630 741 H SER 98 H SER 98 1.332 7.454 -4.905 742 HA SER 98 HA SER 98 2.858 4.896 -4.615 743 HB2 SER 98 HB2 SER 98 3.572 6.158 -6.696 744 HB3 SER 98 HB3 SER 98 4.059 7.498 -5.631 745 HG SER 98 HG SER 98 5.054 4.819 -5.646 746 H PHE 99 H PHE 99 3.439 4.660 -2.574 747 HA PHE 99 HA PHE 99 3.796 7.144 -0.920 748 HB2 PHE 99 HB2 PHE 99 2.994 4.348 -0.028 749 HB3 PHE 99 HB3 PHE 99 3.151 5.777 1.001 750 HD1 PHE 99 HD1 PHE 99 1.671 7.876 0.148 751 HD2 PHE 99 HD2 PHE 99 0.855 3.741 -0.725 752 HE1 PHE 99 HE1 PHE 99 -0.706 8.448 -0.307 753 HE2 PHE 99 HE2 PHE 99 -1.536 4.304 -1.153 754 HZ PHE 99 HZ PHE 99 -2.320 6.662 -0.943 755 H GLN 100 H GLN 100 5.787 7.433 -0.126 756 HA GLN 100 HA GLN 100 7.663 5.099 -0.255 757 HB2 GLN 100 HB2 GLN 100 8.013 6.725 -2.120 758 HB3 GLN 100 HB3 GLN 100 8.235 7.987 -0.911 759 HG2 GLN 100 HG2 GLN 100 10.169 6.601 -0.012 760 HG3 GLN 100 HG3 GLN 100 10.044 5.661 -1.503 761 HE21 GLN 100 HE21 GLN 100 12.082 7.576 -0.336 762 HE22 GLN 100 HE22 GLN 100 12.373 8.739 -1.614 763 H ILE 101 H ILE 101 8.572 4.674 1.664 764 HA ILE 101 HA ILE 101 8.573 6.879 3.705 765 HB ILE 101 HB ILE 101 8.420 3.862 4.200 766 HG12 ILE 101 HG12 ILE 101 6.259 5.936 4.711 767 HG13 ILE 101 HG13 ILE 101 6.307 4.951 3.248 768 HG21 ILE 101 HG21 ILE 101 9.622 5.095 5.969 769 HG22 ILE 101 HG22 ILE 101 8.256 6.222 6.132 770 HG23 ILE 101 HG23 ILE 101 8.064 4.510 6.564 771 HD11 ILE 101 HD11 ILE 101 6.174 2.899 4.678 772 HD12 ILE 101 HD12 ILE 101 5.942 3.953 6.092 773 HD13 ILE 101 HD13 ILE 101 4.747 3.952 4.779 774 H TYR 102 H TYR 102 10.619 7.590 4.107 775 HA TYR 102 HA TYR 102 12.829 5.747 3.392 776 HB2 TYR 102 HB2 TYR 102 13.010 8.120 2.710 777 HB3 TYR 102 HB3 TYR 102 12.908 8.606 4.412 778 HD1 TYR 102 HD1 TYR 102 14.837 8.414 5.882 779 HD2 TYR 102 HD2 TYR 102 14.991 6.791 1.898 780 HE1 TYR 102 HE1 TYR 102 17.298 8.059 6.112 781 HE2 TYR 102 HE2 TYR 102 17.451 6.441 2.142 782 HH TYR 102 HH TYR 102 19.293 6.740 3.477 783 H ALA 103 H ALA 103 13.825 4.546 4.961 784 HA ALA 103 HA ALA 103 13.115 5.150 7.770 785 HB1 ALA 103 HB1 ALA 103 13.854 2.833 8.163 786 HB2 ALA 103 HB2 ALA 103 12.381 2.996 7.168 787 HB3 ALA 103 HB3 ALA 103 13.944 2.633 6.396 788 H VAL 104 H VAL 104 14.688 5.568 9.169 789 HA VAL 104 HA VAL 104 17.273 6.227 7.807 790 HB VAL 104 HB VAL 104 16.668 7.042 10.627 791 HG11 VAL 104 HG11 VAL 104 17.391 8.664 8.336 792 HG12 VAL 104 HG12 VAL 104 17.449 9.091 10.048 793 HG13 VAL 104 HG13 VAL 104 18.535 7.820 9.420 794 HG21 VAL 104 HG21 VAL 104 15.087 8.798 9.982 795 HG22 VAL 104 HG22 VAL 104 14.892 7.953 8.422 796 HG23 VAL 104 HG23 VAL 104 14.522 7.127 9.959 797 HA PRO 105 HA PRO 105 17.186 2.736 10.213 798 HB2 PRO 105 HB2 PRO 105 19.446 1.205 9.626 799 HB3 PRO 105 HB3 PRO 105 18.054 1.353 8.502 800 HG2 PRO 105 HG2 PRO 105 20.634 2.936 8.523 801 HG3 PRO 105 HG3 PRO 105 19.857 2.079 7.153 802 HD2 PRO 105 HD2 PRO 105 19.519 4.754 7.562 803 HD3 PRO 105 HD3 PRO 105 18.198 3.718 6.919 804 H TRP 106 H TRP 106 19.937 4.782 10.170 805 HA TRP 106 HA TRP 106 21.487 3.839 12.328 806 HB2 TRP 106 HB2 TRP 106 21.043 6.655 11.269 807 HB3 TRP 106 HB3 TRP 106 22.442 6.104 12.237 808 HD1 TRP 106 HD1 TRP 106 21.334 6.443 8.706 809 HE1 TRP 106 HE1 TRP 106 22.853 5.228 7.070 810 HE3 TRP 106 HE3 TRP 106 24.005 3.726 12.123 811 HZ2 TRP 106 HZ2 TRP 106 24.982 3.338 7.215 812 HZ3 TRP 106 HZ3 TRP 106 25.815 2.205 11.291 813 HH2 TRP 106 HH2 TRP 106 26.286 2.021 8.848 814 H GLN 107 H GLN 107 18.413 5.409 12.405 815 HA GLN 107 HA GLN 107 18.810 5.925 15.326 816 HB2 GLN 107 HB2 GLN 107 17.183 7.483 13.304 817 HB3 GLN 107 HB3 GLN 107 17.133 7.762 15.047 818 HG2 GLN 107 HG2 GLN 107 19.687 7.982 13.409 819 HG3 GLN 107 HG3 GLN 107 18.583 9.336 13.655 820 HE21 GLN 107 HE21 GLN 107 20.853 7.143 15.228 821 HE22 GLN 107 HE22 GLN 107 21.046 8.125 16.665 822 H GLY 108 H GLY 108 17.381 3.903 13.112 823 HA2 GLY 108 HA2 GLY 108 15.748 2.302 13.393 824 HA3 GLY 108 HA3 GLY 108 15.615 2.792 15.093 825 H THR 109 H THR 109 15.273 5.272 12.782 826 HA THR 109 HA THR 109 12.359 5.493 13.395 827 HB THR 109 HB THR 109 12.911 7.866 12.402 828 HG1 THR 109 HG1 THR 109 15.149 8.369 12.964 829 HG21 THR 109 HG21 THR 109 12.349 7.442 14.797 830 HG22 THR 109 HG22 THR 109 14.052 7.024 15.105 831 HG23 THR 109 HG23 THR 109 13.611 8.679 14.624 832 H MET 110 H MET 110 11.046 6.474 11.611 833 HA MET 110 HA MET 110 12.386 6.436 8.985 834 HB2 MET 110 HB2 MET 110 10.674 5.000 7.937 835 HB3 MET 110 HB3 MET 110 11.350 4.107 9.299 836 HG2 MET 110 HG2 MET 110 9.353 4.708 10.657 837 HG3 MET 110 HG3 MET 110 8.670 5.531 9.240 838 HE1 MET 110 HE1 MET 110 6.336 2.490 9.063 839 HE2 MET 110 HE2 MET 110 6.783 3.500 10.460 840 HE3 MET 110 HE3 MET 110 6.512 4.248 8.871 841 H THR 111 H THR 111 11.014 7.636 7.390 842 HA THR 111 HA THR 111 8.777 9.236 8.552 843 HB THR 111 HB THR 111 11.182 10.354 7.035 844 HG1 THR 111 HG1 THR 111 10.485 10.287 9.776 845 HG21 THR 111 HG21 THR 111 9.237 11.658 6.560 846 HG22 THR 111 HG22 THR 111 8.764 11.681 8.281 847 HG23 THR 111 HG23 THR 111 10.222 12.546 7.744 848 H LEU 112 H LEU 112 7.142 9.654 6.969 849 HA LEU 112 HA LEU 112 7.275 8.316 4.462 850 HB2 LEU 112 HB2 LEU 112 5.182 8.923 5.722 851 HB3 LEU 112 HB3 LEU 112 5.496 10.620 5.350 852 HG LEU 112 HG LEU 112 5.290 10.000 2.882 853 HD11 LEU 112 HD11 LEU 112 5.749 7.628 3.136 854 HD12 LEU 112 HD12 LEU 112 4.331 7.434 4.189 855 HD13 LEU 112 HD13 LEU 112 4.123 7.845 2.462 856 HD21 LEU 112 HD21 LEU 112 2.765 9.717 3.070 857 HD22 LEU 112 HD22 LEU 112 2.978 9.604 4.818 858 HD23 LEU 112 HD23 LEU 112 3.443 11.092 3.969 859 H SER 113 H SER 113 8.625 8.862 2.904 860 HA SER 113 HA SER 113 9.799 11.541 2.733 861 HB2 SER 113 HB2 SER 113 11.138 9.493 2.447 862 HB3 SER 113 HB3 SER 113 10.139 9.031 1.056 863 HG SER 113 HG SER 113 10.932 11.480 0.572 864 H LYS 114 H LYS 114 7.429 9.576 0.952 865 HA LYS 114 HA LYS 114 6.688 11.996 -0.577 866 HB2 LYS 114 HB2 LYS 114 7.696 11.367 -2.478 867 HB3 LYS 114 HB3 LYS 114 8.246 9.864 -1.762 868 HG2 LYS 114 HG2 LYS 114 5.918 8.887 -2.345 869 HG3 LYS 114 HG3 LYS 114 5.664 10.349 -3.311 870 HD2 LYS 114 HD2 LYS 114 7.904 8.328 -3.654 871 HD3 LYS 114 HD3 LYS 114 6.445 8.418 -4.643 872 HE2 LYS 114 HE2 LYS 114 7.107 10.671 -5.413 873 HE3 LYS 114 HE3 LYS 114 8.573 10.581 -4.405 874 HZ1 LYS 114 HZ1 LYS 114 8.998 9.921 -6.699 875 HZ2 LYS 114 HZ2 LYS 114 9.280 8.671 -5.659 876 HZ3 LYS 114 HZ3 LYS 114 7.908 8.686 -6.578 877 H SER 115 H SER 115 4.576 12.017 -1.161 878 HA SER 115 HA SER 115 3.014 9.533 -1.044 879 HB2 SER 115 HB2 SER 115 2.822 10.479 1.238 880 HB3 SER 115 HB3 SER 115 2.268 12.018 0.552 881 HG SER 115 HG SER 115 0.538 10.647 1.198 882 H THR 116 H THR 116 2.132 9.571 -3.027 883 HA THR 116 HA THR 116 0.953 12.143 -3.954 884 HB THR 116 HB THR 116 3.206 11.896 -5.061 885 HG1 THR 116 HG1 THR 116 2.332 12.244 -7.147 886 HG21 THR 116 HG21 THR 116 3.525 10.181 -6.762 887 HG22 THR 116 HG22 THR 116 3.259 9.419 -5.180 888 HG23 THR 116 HG23 THR 116 1.946 9.461 -6.379 889 H CYS 117 H CYS 117 -0.831 11.781 -5.410 890 HA CYS 117 HA CYS 117 -1.773 9.001 -5.619 891 HB2 CYS 117 HB2 CYS 117 -2.748 11.003 -3.671 892 HB3 CYS 117 HB3 CYS 117 -4.018 10.256 -4.636 893 H GLN 118 H GLN 118 -3.931 8.897 -6.630 894 HA GLN 118 HA GLN 118 -4.413 11.148 -8.542 895 HB2 GLN 118 HB2 GLN 118 -4.412 8.145 -8.961 896 HB3 GLN 118 HB3 GLN 118 -5.227 9.262 -10.079 897 HG2 GLN 118 HG2 GLN 118 -2.278 9.367 -9.381 898 HG3 GLN 118 HG3 GLN 118 -2.946 8.554 -10.799 899 HE21 GLN 118 HE21 GLN 118 -2.184 11.620 -9.311 900 HE22 GLN 118 HE22 GLN 118 -2.444 12.585 -10.751 901 H ASP 119 H ASP 119 -6.471 11.795 -8.678 902 HA ASP 119 HA ASP 119 -8.364 10.720 -6.737 903 HB2 ASP 119 HB2 ASP 119 -7.897 13.270 -7.586 904 HB3 ASP 119 HB3 ASP 119 -9.326 12.812 -8.546 905 H ALA 120 H ALA 120 -10.413 10.124 -7.102 906 HA ALA 120 HA ALA 120 -12.193 9.192 -8.063 907 HB1 ALA 120 HB1 ALA 120 -11.328 10.505 -10.657 908 HB2 ALA 120 HB2 ALA 120 -12.965 9.962 -10.234 909 HB3 ALA 120 HB3 ALA 120 -12.222 11.320 -9.352 Start of MODEL 10 1 H1 SER 1 H1 SER 1 2.702 -14.401 10.264 2 H2 SER 1 H2 SER 1 1.552 -15.293 10.969 3 H3 SER 1 H3 SER 1 1.145 -14.126 9.925 4 HA SER 1 HA SER 1 2.619 -16.583 9.247 5 HB2 SER 1 HB2 SER 1 -0.179 -15.731 8.417 6 HB3 SER 1 HB3 SER 1 0.616 -17.287 8.084 7 HG SER 1 HG SER 1 -0.740 -17.504 9.872 8 H SER 2 H SER 2 3.885 -16.393 7.508 9 HA SER 2 HA SER 2 3.187 -14.657 5.246 10 HB2 SER 2 HB2 SER 2 5.421 -13.461 5.485 11 HB3 SER 2 HB3 SER 2 4.254 -13.027 6.754 12 HG SER 2 HG SER 2 6.099 -13.486 7.835 13 HA PRO 3 HA PRO 3 5.635 -18.032 3.694 14 HB2 PRO 3 HB2 PRO 3 7.030 -17.080 1.560 15 HB3 PRO 3 HB3 PRO 3 5.242 -17.203 1.521 16 HG2 PRO 3 HG2 PRO 3 6.956 -14.813 2.164 17 HG3 PRO 3 HG3 PRO 3 5.614 -14.950 0.982 18 HD2 PRO 3 HD2 PRO 3 5.233 -13.943 3.458 19 HD3 PRO 3 HD3 PRO 3 3.984 -14.961 2.658 20 H GLY 4 H GLY 4 7.994 -18.744 3.292 21 HA2 GLY 4 HA2 GLY 4 9.671 -17.681 5.406 22 HA3 GLY 4 HA3 GLY 4 10.069 -18.992 4.286 23 H LYS 5 H LYS 5 9.380 -15.482 4.009 24 HA LYS 5 HA LYS 5 11.932 -15.181 2.453 25 HB2 LYS 5 HB2 LYS 5 9.895 -15.184 1.008 26 HB3 LYS 5 HB3 LYS 5 9.261 -13.824 1.936 27 HG2 LYS 5 HG2 LYS 5 11.188 -12.440 1.200 28 HG3 LYS 5 HG3 LYS 5 11.782 -13.800 0.226 29 HD2 LYS 5 HD2 LYS 5 9.930 -13.698 -1.243 30 HD3 LYS 5 HD3 LYS 5 8.955 -12.785 -0.078 31 HE2 LYS 5 HE2 LYS 5 9.615 -11.292 -1.840 32 HE3 LYS 5 HE3 LYS 5 10.431 -10.841 -0.339 33 HZ1 LYS 5 HZ1 LYS 5 12.423 -11.894 -1.163 34 HZ2 LYS 5 HZ2 LYS 5 11.671 -12.315 -2.570 35 HZ3 LYS 5 HZ3 LYS 5 11.904 -10.719 -2.204 36 HA PRO 6 HA PRO 6 11.701 -12.145 5.874 37 HB2 PRO 6 HB2 PRO 6 14.220 -12.377 6.882 38 HB3 PRO 6 HB3 PRO 6 12.918 -13.526 7.335 39 HG2 PRO 6 HG2 PRO 6 15.076 -13.832 5.254 40 HG3 PRO 6 HG3 PRO 6 14.594 -14.971 6.550 41 HD2 PRO 6 HD2 PRO 6 13.698 -15.207 3.988 42 HD3 PRO 6 HD3 PRO 6 12.675 -15.646 5.400 43 HA PRO 7 HA PRO 7 13.805 -9.319 3.188 44 HB2 PRO 7 HB2 PRO 7 14.273 -7.122 4.754 45 HB3 PRO 7 HB3 PRO 7 12.635 -7.555 4.169 46 HG2 PRO 7 HG2 PRO 7 13.908 -8.152 6.835 47 HG3 PRO 7 HG3 PRO 7 12.298 -7.443 6.489 48 HD2 PRO 7 HD2 PRO 7 12.612 -10.074 7.050 49 HD3 PRO 7 HD3 PRO 7 11.400 -9.510 5.846 50 H ARG 8 H ARG 8 15.946 -8.845 2.608 51 HA ARG 8 HA ARG 8 18.027 -9.366 4.694 52 HB2 ARG 8 HB2 ARG 8 17.723 -11.325 3.153 53 HB3 ARG 8 HB3 ARG 8 18.087 -10.268 1.785 54 HG2 ARG 8 HG2 ARG 8 20.078 -11.467 2.273 55 HG3 ARG 8 HG3 ARG 8 20.333 -9.813 2.848 56 HD2 ARG 8 HD2 ARG 8 19.832 -10.499 5.142 57 HD3 ARG 8 HD3 ARG 8 19.497 -12.155 4.587 58 HE ARG 8 HE ARG 8 22.105 -11.421 3.735 59 HH11 ARG 8 HH11 ARG 8 20.424 -12.184 6.745 60 HH12 ARG 8 HH12 ARG 8 21.882 -12.729 7.528 61 HH21 ARG 8 HH21 ARG 8 23.924 -12.128 4.803 62 HH22 ARG 8 HH22 ARG 8 23.822 -12.713 6.440 63 H LEU 9 H LEU 9 18.950 -7.433 5.026 64 HA LEU 9 HA LEU 9 19.122 -5.574 2.741 65 HB2 LEU 9 HB2 LEU 9 19.944 -5.184 5.671 66 HB3 LEU 9 HB3 LEU 9 19.921 -3.938 4.436 67 HG LEU 9 HG LEU 9 17.343 -4.434 4.338 68 HD11 LEU 9 HD11 LEU 9 16.429 -4.975 6.615 69 HD12 LEU 9 HD12 LEU 9 17.206 -6.357 5.831 70 HD13 LEU 9 HD13 LEU 9 18.059 -5.471 7.118 71 HD21 LEU 9 HD21 LEU 9 18.407 -2.323 5.029 72 HD22 LEU 9 HD22 LEU 9 17.018 -2.703 6.065 73 HD23 LEU 9 HD23 LEU 9 18.672 -2.980 6.662 74 H VAL 10 H VAL 10 20.292 -6.352 1.465 75 HA VAL 10 HA VAL 10 23.196 -6.252 1.935 76 HB VAL 10 HB VAL 10 21.444 -8.639 1.305 77 HG11 VAL 10 HG11 VAL 10 24.148 -8.166 0.165 78 HG12 VAL 10 HG12 VAL 10 23.343 -9.755 0.267 79 HG13 VAL 10 HG13 VAL 10 22.593 -8.450 -0.667 80 HG21 VAL 10 HG21 VAL 10 24.086 -8.306 2.802 81 HG22 VAL 10 HG22 VAL 10 22.476 -8.517 3.524 82 HG23 VAL 10 HG23 VAL 10 23.216 -9.845 2.607 83 H GLY 11 H GLY 11 24.144 -5.369 0.073 84 HA2 GLY 11 HA2 GLY 11 24.373 -4.733 -2.128 85 HA3 GLY 11 HA3 GLY 11 23.089 -5.876 -2.522 86 H GLY 12 H GLY 12 21.867 -4.832 -3.898 87 HA2 GLY 12 HA2 GLY 12 21.147 -2.009 -3.414 88 HA3 GLY 12 HA3 GLY 12 20.905 -2.937 -4.900 89 HA PRO 13 HA PRO 13 16.898 -2.571 -2.663 90 HB2 PRO 13 HB2 PRO 13 15.273 -2.199 -4.841 91 HB3 PRO 13 HB3 PRO 13 16.203 -0.862 -4.095 92 HG2 PRO 13 HG2 PRO 13 16.941 -2.564 -6.459 93 HG3 PRO 13 HG3 PRO 13 16.897 -0.774 -6.327 94 HD2 PRO 13 HD2 PRO 13 19.200 -2.118 -6.022 95 HD3 PRO 13 HD3 PRO 13 18.815 -0.721 -4.955 96 H MET 14 H MET 14 15.176 -4.008 -2.418 97 HA MET 14 HA MET 14 15.121 -6.388 -4.225 98 HB2 MET 14 HB2 MET 14 14.934 -7.885 -2.310 99 HB3 MET 14 HB3 MET 14 16.469 -7.018 -2.247 100 HG2 MET 14 HG2 MET 14 15.736 -5.629 -0.438 101 HG3 MET 14 HG3 MET 14 14.045 -6.093 -0.653 102 HE1 MET 14 HE1 MET 14 13.713 -9.104 -0.789 103 HE2 MET 14 HE2 MET 14 13.718 -9.613 0.916 104 HE3 MET 14 HE3 MET 14 12.854 -8.136 0.430 105 H ASP 15 H ASP 15 13.053 -7.219 -4.582 106 HA ASP 15 HA ASP 15 10.820 -5.654 -3.469 107 HB2 ASP 15 HB2 ASP 15 11.061 -7.784 -5.581 108 HB3 ASP 15 HB3 ASP 15 9.503 -7.525 -4.779 109 H ALA 16 H ALA 16 9.382 -6.379 -1.961 110 HA ALA 16 HA ALA 16 10.091 -8.899 -0.514 111 HB1 ALA 16 HB1 ALA 16 8.828 -7.661 1.304 112 HB2 ALA 16 HB2 ALA 16 10.461 -7.097 0.889 113 HB3 ALA 16 HB3 ALA 16 9.032 -6.216 0.287 114 H SER 17 H SER 17 8.162 -9.855 0.508 115 HA SER 17 HA SER 17 6.015 -10.016 -1.552 116 HB2 SER 17 HB2 SER 17 5.135 -11.858 -0.233 117 HB3 SER 17 HB3 SER 17 6.873 -12.089 -0.446 118 HG SER 17 HG SER 17 6.014 -12.407 1.729 119 H VAL 18 H VAL 18 3.715 -9.517 -0.933 120 HA VAL 18 HA VAL 18 3.636 -7.087 0.614 121 HB VAL 18 HB VAL 18 1.321 -6.927 0.062 122 HG11 VAL 18 HG11 VAL 18 1.302 -7.248 -2.329 123 HG12 VAL 18 HG12 VAL 18 2.959 -6.815 -1.855 124 HG13 VAL 18 HG13 VAL 18 2.551 -8.509 -2.226 125 HG21 VAL 18 HG21 VAL 18 -0.036 -8.795 -0.833 126 HG22 VAL 18 HG22 VAL 18 1.328 -9.907 -0.611 127 HG23 VAL 18 HG23 VAL 18 0.547 -9.158 0.800 128 H GLU 19 H GLU 19 3.372 -10.401 1.253 129 HA GLU 19 HA GLU 19 1.935 -10.268 3.755 130 HB2 GLU 19 HB2 GLU 19 3.903 -12.290 2.679 131 HB3 GLU 19 HB3 GLU 19 2.735 -12.567 3.982 132 HG2 GLU 19 HG2 GLU 19 1.462 -13.436 2.371 133 HG3 GLU 19 HG3 GLU 19 1.133 -11.752 1.912 134 H GLU 20 H GLU 20 5.257 -9.631 2.783 135 HA GLU 20 HA GLU 20 6.534 -10.330 5.147 136 HB2 GLU 20 HB2 GLU 20 7.245 -8.417 3.019 137 HB3 GLU 20 HB3 GLU 20 8.031 -8.194 4.589 138 HG2 GLU 20 HG2 GLU 20 8.577 -10.374 4.717 139 HG3 GLU 20 HG3 GLU 20 7.795 -10.741 3.142 140 H GLU 21 H GLU 21 7.281 -9.681 6.844 141 HA GLU 21 HA GLU 21 5.610 -8.122 8.249 142 HB2 GLU 21 HB2 GLU 21 8.464 -8.852 8.826 143 HB3 GLU 21 HB3 GLU 21 7.467 -7.990 9.998 144 HG2 GLU 21 HG2 GLU 21 7.389 -10.261 10.643 145 HG3 GLU 21 HG3 GLU 21 5.821 -9.901 9.905 146 H GLY 22 H GLY 22 8.545 -7.338 6.612 147 HA2 GLY 22 HA2 GLY 22 8.718 -4.609 7.543 148 HA3 GLY 22 HA3 GLY 22 9.593 -5.311 6.174 149 H VAL 23 H VAL 23 6.852 -6.195 4.990 150 HA VAL 23 HA VAL 23 6.379 -3.610 3.666 151 HB VAL 23 HB VAL 23 5.305 -6.416 3.141 152 HG11 VAL 23 HG11 VAL 23 4.565 -5.381 0.943 153 HG12 VAL 23 HG12 VAL 23 3.596 -5.043 2.375 154 HG13 VAL 23 HG13 VAL 23 4.725 -3.806 1.759 155 HG21 VAL 23 HG21 VAL 23 7.268 -4.635 1.682 156 HG22 VAL 23 HG22 VAL 23 7.624 -6.146 2.560 157 HG23 VAL 23 HG23 VAL 23 6.657 -6.194 1.080 158 H ARG 24 H ARG 24 4.384 -6.093 5.433 159 HA ARG 24 HA ARG 24 1.962 -4.725 5.233 160 HB2 ARG 24 HB2 ARG 24 3.075 -6.360 7.540 161 HB3 ARG 24 HB3 ARG 24 1.377 -5.894 7.341 162 HG2 ARG 24 HG2 ARG 24 1.712 -6.987 4.952 163 HG3 ARG 24 HG3 ARG 24 3.038 -7.848 5.760 164 HD2 ARG 24 HD2 ARG 24 1.014 -9.149 5.771 165 HD3 ARG 24 HD3 ARG 24 1.469 -8.670 7.424 166 HE ARG 24 HE ARG 24 -0.263 -6.670 6.543 167 HH11 ARG 24 HH11 ARG 24 -0.576 -10.157 6.977 168 HH12 ARG 24 HH12 ARG 24 -2.281 -10.049 7.328 169 HH21 ARG 24 HH21 ARG 24 -2.412 -6.597 7.003 170 HH22 ARG 24 HH22 ARG 24 -3.309 -8.059 7.324 171 H ARG 25 H ARG 25 4.484 -4.238 7.737 172 HA ARG 25 HA ARG 25 2.941 -2.332 9.199 173 HB2 ARG 25 HB2 ARG 25 5.006 -1.609 10.198 174 HB3 ARG 25 HB3 ARG 25 4.949 -3.372 10.114 175 HG2 ARG 25 HG2 ARG 25 7.095 -3.165 9.394 176 HG3 ARG 25 HG3 ARG 25 6.343 -2.870 7.815 177 HD2 ARG 25 HD2 ARG 25 8.088 -1.191 8.299 178 HD3 ARG 25 HD3 ARG 25 6.498 -0.432 8.189 179 HE ARG 25 HE ARG 25 6.538 0.084 10.458 180 HH11 ARG 25 HH11 ARG 25 9.404 -1.831 9.677 181 HH12 ARG 25 HH12 ARG 25 10.185 -1.433 11.183 182 HH21 ARG 25 HH21 ARG 25 7.597 0.532 12.350 183 HH22 ARG 25 HH22 ARG 25 9.178 -0.126 12.666 184 H ALA 26 H ALA 26 4.725 -1.977 6.229 185 HA ALA 26 HA ALA 26 4.882 0.920 6.414 186 HB1 ALA 26 HB1 ALA 26 5.564 -0.979 4.127 187 HB2 ALA 26 HB2 ALA 26 6.037 0.718 4.283 188 HB3 ALA 26 HB3 ALA 26 6.706 -0.483 5.398 189 H LEU 27 H LEU 27 3.044 -1.686 4.874 190 HA LEU 27 HA LEU 27 1.593 -0.059 3.021 191 HB2 LEU 27 HB2 LEU 27 0.672 -2.596 4.448 192 HB3 LEU 27 HB3 LEU 27 -0.099 -1.857 3.061 193 HG LEU 27 HG LEU 27 2.441 -3.451 3.184 194 HD11 LEU 27 HD11 LEU 27 -0.066 -3.588 1.465 195 HD12 LEU 27 HD12 LEU 27 1.301 -4.726 1.421 196 HD13 LEU 27 HD13 LEU 27 0.295 -4.606 2.878 197 HD21 LEU 27 HD21 LEU 27 1.576 -1.527 1.004 198 HD22 LEU 27 HD22 LEU 27 3.122 -1.585 1.883 199 HD23 LEU 27 HD23 LEU 27 2.714 -2.870 0.740 200 H ASP 28 H ASP 28 0.727 -1.367 6.245 201 HA ASP 28 HA ASP 28 -1.818 -0.017 6.266 202 HB2 ASP 28 HB2 ASP 28 -0.107 -1.216 8.500 203 HB3 ASP 28 HB3 ASP 28 -1.772 -0.647 8.712 204 H PHE 29 H PHE 29 1.453 0.799 7.389 205 HA PHE 29 HA PHE 29 0.726 3.166 8.845 206 HB2 PHE 29 HB2 PHE 29 2.949 2.137 9.008 207 HB3 PHE 29 HB3 PHE 29 3.239 2.441 7.293 208 HD1 PHE 29 HD1 PHE 29 3.200 3.880 10.663 209 HD2 PHE 29 HD2 PHE 29 3.602 4.785 6.477 210 HE1 PHE 29 HE1 PHE 29 4.181 6.099 11.235 211 HE2 PHE 29 HE2 PHE 29 4.586 6.993 7.040 212 HZ PHE 29 HZ PHE 29 4.876 7.658 9.419 213 H ALA 30 H ALA 30 1.704 2.564 5.407 214 HA ALA 30 HA ALA 30 1.600 5.292 4.621 215 HB1 ALA 30 HB1 ALA 30 0.805 2.873 2.956 216 HB2 ALA 30 HB2 ALA 30 1.292 4.464 2.335 217 HB3 ALA 30 HB3 ALA 30 2.473 3.457 3.206 218 H VAL 31 H VAL 31 -1.148 2.969 4.600 219 HA VAL 31 HA VAL 31 -2.994 4.755 3.241 220 HB VAL 31 HB VAL 31 -4.098 2.895 5.272 221 HG11 VAL 31 HG11 VAL 31 -4.582 3.085 2.363 222 HG12 VAL 31 HG12 VAL 31 -5.462 2.060 3.527 223 HG13 VAL 31 HG13 VAL 31 -5.522 3.828 3.687 224 HG21 VAL 31 HG21 VAL 31 -2.236 1.800 5.056 225 HG22 VAL 31 HG22 VAL 31 -3.504 0.881 4.198 226 HG23 VAL 31 HG23 VAL 31 -2.298 1.809 3.259 227 H GLY 32 H GLY 32 -2.138 3.776 6.543 228 HA2 GLY 32 HA2 GLY 32 -4.309 5.052 7.840 229 HA3 GLY 32 HA3 GLY 32 -2.763 4.608 8.588 230 H GLU 33 H GLU 33 -1.145 6.069 6.723 231 HA GLU 33 HA GLU 33 -1.472 8.672 8.180 232 HB2 GLU 33 HB2 GLU 33 0.676 7.490 8.114 233 HB3 GLU 33 HB3 GLU 33 0.769 7.735 6.365 234 HG2 GLU 33 HG2 GLU 33 1.206 9.982 6.575 235 HG3 GLU 33 HG3 GLU 33 0.387 10.102 8.142 236 H TYR 34 H TYR 34 -1.908 7.377 5.027 237 HA TYR 34 HA TYR 34 -1.958 10.031 3.948 238 HB2 TYR 34 HB2 TYR 34 -0.931 8.208 2.635 239 HB3 TYR 34 HB3 TYR 34 -2.550 7.535 2.378 240 HD1 TYR 34 HD1 TYR 34 -0.474 10.624 1.905 241 HD2 TYR 34 HD2 TYR 34 -3.960 8.440 0.631 242 HE1 TYR 34 HE1 TYR 34 -0.803 12.232 0.031 243 HE2 TYR 34 HE2 TYR 34 -4.280 10.060 -1.237 244 HH TYR 34 HH TYR 34 -2.119 12.872 -1.703 245 H ASN 35 H ASN 35 -4.137 7.351 3.925 246 HA ASN 35 HA ASN 35 -6.365 8.932 2.894 247 HB2 ASN 35 HB2 ASN 35 -5.839 6.015 3.558 248 HB3 ASN 35 HB3 ASN 35 -7.463 6.588 3.112 249 HD21 ASN 35 HD21 ASN 35 -4.740 5.198 1.942 250 HD22 ASN 35 HD22 ASN 35 -4.860 5.696 0.272 251 H LYS 36 H LYS 36 -5.752 6.905 5.779 252 HA LYS 36 HA LYS 36 -8.272 7.632 7.033 253 HB2 LYS 36 HB2 LYS 36 -7.211 5.554 7.614 254 HB3 LYS 36 HB3 LYS 36 -5.694 6.372 7.949 255 HG2 LYS 36 HG2 LYS 36 -8.008 7.109 9.682 256 HG3 LYS 36 HG3 LYS 36 -7.280 5.506 9.912 257 HD2 LYS 36 HD2 LYS 36 -5.318 6.356 10.748 258 HD3 LYS 36 HD3 LYS 36 -5.324 7.704 9.617 259 HE2 LYS 36 HE2 LYS 36 -7.296 8.627 11.060 260 HE3 LYS 36 HE3 LYS 36 -6.638 7.541 12.311 261 HZ1 LYS 36 HZ1 LYS 36 -5.111 9.625 10.838 262 HZ2 LYS 36 HZ2 LYS 36 -5.630 9.757 12.397 263 HZ3 LYS 36 HZ3 LYS 36 -4.482 8.638 11.999 264 H ALA 37 H ALA 37 -5.017 8.982 6.980 265 HA ALA 37 HA ALA 37 -5.390 10.622 9.311 266 HB1 ALA 37 HB1 ALA 37 -3.523 11.198 7.078 267 HB2 ALA 37 HB2 ALA 37 -3.348 11.568 8.807 268 HB3 ALA 37 HB3 ALA 37 -3.214 9.880 8.238 269 H SER 38 H SER 38 -5.962 10.861 5.843 270 HA SER 38 HA SER 38 -6.673 13.695 5.884 271 HB2 SER 38 HB2 SER 38 -5.805 12.557 3.857 272 HB3 SER 38 HB3 SER 38 -7.251 11.529 3.825 273 HG SER 38 HG SER 38 -7.470 13.317 2.439 274 H ASN 39 H ASN 39 -8.800 14.528 5.483 275 HA ASN 39 HA ASN 39 -10.908 12.987 6.886 276 HB2 ASN 39 HB2 ASN 39 -10.314 15.437 7.346 277 HB3 ASN 39 HB3 ASN 39 -11.068 15.792 5.785 278 HD21 ASN 39 HD21 ASN 39 -13.079 16.503 6.003 279 HD22 ASN 39 HD22 ASN 39 -14.216 15.986 7.223 280 H ASP 40 H ASP 40 -10.466 11.690 4.651 281 HA ASP 40 HA ASP 40 -11.811 12.672 2.310 282 HB2 ASP 40 HB2 ASP 40 -10.151 10.737 2.437 283 HB3 ASP 40 HB3 ASP 40 -11.477 9.750 3.068 284 H MET 41 H MET 41 -13.880 12.771 1.805 285 HA MET 41 HA MET 41 -15.948 12.291 3.754 286 HB2 MET 41 HB2 MET 41 -16.109 12.793 0.756 287 HB3 MET 41 HB3 MET 41 -17.465 12.902 1.887 288 HG2 MET 41 HG2 MET 41 -16.351 14.759 3.054 289 HG3 MET 41 HG3 MET 41 -14.977 14.644 1.939 290 HE1 MET 41 HE1 MET 41 -16.594 17.946 0.643 291 HE2 MET 41 HE2 MET 41 -16.376 17.412 2.327 292 HE3 MET 41 HE3 MET 41 -15.089 17.128 1.129 293 H TYR 42 H TYR 42 -14.378 10.331 1.401 294 HA TYR 42 HA TYR 42 -16.560 8.281 1.589 295 HB2 TYR 42 HB2 TYR 42 -14.479 8.640 -0.586 296 HB3 TYR 42 HB3 TYR 42 -15.812 7.480 -0.583 297 HD1 TYR 42 HD1 TYR 42 -14.816 10.970 -1.202 298 HD2 TYR 42 HD2 TYR 42 -18.175 8.290 -0.905 299 HE1 TYR 42 HE1 TYR 42 -16.267 12.651 -2.335 300 HE2 TYR 42 HE2 TYR 42 -19.617 9.983 -2.043 301 HH TYR 42 HH TYR 42 -18.367 13.163 -3.068 302 H HIS 43 H HIS 43 -15.667 6.012 1.501 303 HA HIS 43 HA HIS 43 -13.224 5.923 3.177 304 HB2 HIS 43 HB2 HIS 43 -15.187 3.794 2.262 305 HB3 HIS 43 HB3 HIS 43 -13.735 3.458 3.215 306 HD1 HIS 43 HD1 HIS 43 -14.734 6.520 4.641 307 HD2 HIS 43 HD2 HIS 43 -16.297 2.673 4.775 308 HE1 HIS 43 HE1 HIS 43 -16.160 6.393 6.719 309 H SER 44 H SER 44 -11.355 6.009 2.156 310 HA SER 44 HA SER 44 -11.054 4.447 -0.379 311 HB2 SER 44 HB2 SER 44 -9.561 6.939 0.536 312 HB3 SER 44 HB3 SER 44 -9.314 6.067 -0.990 313 HG SER 44 HG SER 44 -11.068 7.995 -0.436 314 H ARG 45 H ARG 45 -9.204 3.138 -0.519 315 HA ARG 45 HA ARG 45 -7.358 3.070 1.791 316 HB2 ARG 45 HB2 ARG 45 -7.817 0.769 2.364 317 HB3 ARG 45 HB3 ARG 45 -9.339 1.661 2.447 318 HG2 ARG 45 HG2 ARG 45 -9.931 0.764 0.164 319 HG3 ARG 45 HG3 ARG 45 -8.435 -0.181 0.193 320 HD2 ARG 45 HD2 ARG 45 -10.105 -1.685 0.870 321 HD3 ARG 45 HD3 ARG 45 -9.281 -1.217 2.370 322 HE ARG 45 HE ARG 45 -11.489 0.534 1.949 323 HH11 ARG 45 HH11 ARG 45 -10.938 -2.862 2.760 324 HH12 ARG 45 HH12 ARG 45 -12.461 -2.999 3.598 325 HH21 ARG 45 HH21 ARG 45 -13.412 0.276 3.013 326 HH22 ARG 45 HH22 ARG 45 -13.823 -1.247 3.756 327 H ALA 46 H ALA 46 -5.599 1.431 1.411 328 HA ALA 46 HA ALA 46 -4.803 1.324 -1.397 329 HB1 ALA 46 HB1 ALA 46 -2.984 1.415 0.274 330 HB2 ALA 46 HB2 ALA 46 -3.670 0.039 1.172 331 HB3 ALA 46 HB3 ALA 46 -2.960 -0.215 -0.460 332 H LEU 47 H LEU 47 -6.248 0.130 -2.585 333 HA LEU 47 HA LEU 47 -7.653 -2.155 -1.469 334 HB2 LEU 47 HB2 LEU 47 -7.314 -0.844 -4.147 335 HB3 LEU 47 HB3 LEU 47 -7.945 -2.481 -4.107 336 HG LEU 47 HG LEU 47 -9.238 -0.119 -2.711 337 HD11 LEU 47 HD11 LEU 47 -9.217 0.144 -5.104 338 HD12 LEU 47 HD12 LEU 47 -9.695 -1.544 -5.356 339 HD13 LEU 47 HD13 LEU 47 -10.847 -0.388 -4.627 340 HD21 LEU 47 HD21 LEU 47 -9.867 -2.177 -1.605 341 HD22 LEU 47 HD22 LEU 47 -11.198 -1.773 -2.705 342 HD23 LEU 47 HD23 LEU 47 -10.026 -3.038 -3.150 343 H GLN 48 H GLN 48 -5.021 -1.664 -3.756 344 HA GLN 48 HA GLN 48 -4.296 -4.535 -3.539 345 HB2 GLN 48 HB2 GLN 48 -6.020 -4.103 -5.345 346 HB3 GLN 48 HB3 GLN 48 -4.891 -2.982 -6.097 347 HG2 GLN 48 HG2 GLN 48 -3.283 -4.810 -6.465 348 HG3 GLN 48 HG3 GLN 48 -4.421 -5.949 -5.721 349 HE21 GLN 48 HE21 GLN 48 -3.435 -4.461 -8.593 350 HE22 GLN 48 HE22 GLN 48 -4.791 -4.926 -9.590 351 H VAL 49 H VAL 49 -2.118 -4.576 -3.155 352 HA VAL 49 HA VAL 49 -0.542 -2.231 -3.885 353 HB VAL 49 HB VAL 49 0.018 -4.671 -2.220 354 HG11 VAL 49 HG11 VAL 49 1.900 -4.783 -3.818 355 HG12 VAL 49 HG12 VAL 49 2.234 -3.051 -3.558 356 HG13 VAL 49 HG13 VAL 49 2.458 -4.218 -2.238 357 HG21 VAL 49 HG21 VAL 49 -0.585 -2.435 -1.222 358 HG22 VAL 49 HG22 VAL 49 1.027 -2.971 -0.734 359 HG23 VAL 49 HG23 VAL 49 0.856 -1.687 -1.974 360 H VAL 50 H VAL 50 0.621 -1.994 -5.673 361 HA VAL 50 HA VAL 50 0.552 -4.168 -7.678 362 HB VAL 50 HB VAL 50 1.783 -1.367 -7.879 363 HG11 VAL 50 HG11 VAL 50 1.616 -1.718 -10.317 364 HG12 VAL 50 HG12 VAL 50 2.583 -3.014 -9.588 365 HG13 VAL 50 HG13 VAL 50 0.901 -3.327 -10.056 366 HG21 VAL 50 HG21 VAL 50 -0.986 -2.337 -8.650 367 HG22 VAL 50 HG22 VAL 50 -0.583 -1.127 -7.409 368 HG23 VAL 50 HG23 VAL 50 -0.287 -0.770 -9.119 369 H ARG 51 H ARG 51 2.835 -2.208 -5.739 370 HA ARG 51 HA ARG 51 4.889 -4.350 -6.065 371 HB2 ARG 51 HB2 ARG 51 5.392 -1.412 -6.688 372 HB3 ARG 51 HB3 ARG 51 6.649 -2.631 -6.522 373 HG2 ARG 51 HG2 ARG 51 4.497 -2.606 -8.656 374 HG3 ARG 51 HG3 ARG 51 6.162 -2.063 -8.873 375 HD2 ARG 51 HD2 ARG 51 5.340 -4.884 -8.096 376 HD3 ARG 51 HD3 ARG 51 5.727 -4.369 -9.734 377 HE ARG 51 HE ARG 51 7.627 -4.821 -7.501 378 HH11 ARG 51 HH11 ARG 51 7.225 -3.580 -10.796 379 HH12 ARG 51 HH12 ARG 51 8.937 -3.646 -11.117 380 HH21 ARG 51 HH21 ARG 51 9.779 -4.842 -7.972 381 HH22 ARG 51 HH22 ARG 51 10.350 -4.356 -9.553 382 H ALA 52 H ALA 52 6.303 -4.511 -4.361 383 HA ALA 52 HA ALA 52 6.330 -2.404 -2.284 384 HB1 ALA 52 HB1 ALA 52 5.959 -4.127 -0.522 385 HB2 ALA 52 HB2 ALA 52 4.518 -3.888 -1.528 386 HB3 ALA 52 HB3 ALA 52 5.553 -5.317 -1.781 387 H ARG 53 H ARG 53 8.380 -1.986 -2.074 388 HA ARG 53 HA ARG 53 10.301 -4.227 -1.962 389 HB2 ARG 53 HB2 ARG 53 11.750 -3.207 -3.669 390 HB3 ARG 53 HB3 ARG 53 10.249 -3.820 -4.338 391 HG2 ARG 53 HG2 ARG 53 10.558 -0.949 -3.670 392 HG3 ARG 53 HG3 ARG 53 11.203 -1.626 -5.171 393 HD2 ARG 53 HD2 ARG 53 8.864 -2.617 -5.475 394 HD3 ARG 53 HD3 ARG 53 8.386 -1.460 -4.225 395 HE ARG 53 HE ARG 53 9.762 -0.545 -6.704 396 HH11 ARG 53 HH11 ARG 53 6.947 -0.353 -4.560 397 HH12 ARG 53 HH12 ARG 53 6.249 0.969 -5.489 398 HH21 ARG 53 HH21 ARG 53 8.782 1.164 -7.776 399 HH22 ARG 53 HH22 ARG 53 7.240 1.788 -7.208 400 H LYS 54 H LYS 54 12.479 -3.452 -1.517 401 HA LYS 54 HA LYS 54 12.326 -0.938 0.075 402 HB2 LYS 54 HB2 LYS 54 13.649 -3.598 0.804 403 HB3 LYS 54 HB3 LYS 54 13.835 -2.100 1.727 404 HG2 LYS 54 HG2 LYS 54 12.074 -2.709 2.930 405 HG3 LYS 54 HG3 LYS 54 11.067 -2.426 1.508 406 HD2 LYS 54 HD2 LYS 54 11.330 -4.839 0.845 407 HD3 LYS 54 HD3 LYS 54 12.327 -5.098 2.298 408 HE2 LYS 54 HE2 LYS 54 10.132 -3.822 3.334 409 HE3 LYS 54 HE3 LYS 54 9.422 -4.751 1.997 410 HZ1 LYS 54 HZ1 LYS 54 11.133 -5.883 4.150 411 HZ2 LYS 54 HZ2 LYS 54 9.496 -6.039 4.055 412 HZ3 LYS 54 HZ3 LYS 54 10.455 -6.754 2.928 413 H GLN 55 H GLN 55 14.062 0.373 -0.101 414 HA GLN 55 HA GLN 55 16.156 -0.407 -2.074 415 HB2 GLN 55 HB2 GLN 55 14.884 1.743 -2.384 416 HB3 GLN 55 HB3 GLN 55 15.460 2.265 -0.797 417 HG2 GLN 55 HG2 GLN 55 17.799 2.159 -1.620 418 HG3 GLN 55 HG3 GLN 55 17.197 1.695 -3.220 419 HE21 GLN 55 HE21 GLN 55 18.590 3.732 -3.588 420 HE22 GLN 55 HE22 GLN 55 17.711 5.242 -3.597 421 H ILE 56 H ILE 56 18.160 -0.847 -1.349 422 HA ILE 56 HA ILE 56 18.645 -0.553 1.576 423 HB ILE 56 HB ILE 56 19.999 -2.407 -0.445 424 HG12 ILE 56 HG12 ILE 56 17.710 -3.113 -0.331 425 HG13 ILE 56 HG13 ILE 56 18.682 -4.242 0.601 426 HG21 ILE 56 HG21 ILE 56 20.111 -2.300 2.609 427 HG22 ILE 56 HG22 ILE 56 20.764 -3.629 1.621 428 HG23 ILE 56 HG23 ILE 56 21.441 -2.004 1.465 429 HD11 ILE 56 HD11 ILE 56 16.748 -2.136 1.651 430 HD12 ILE 56 HD12 ILE 56 16.678 -3.899 1.848 431 HD13 ILE 56 HD13 ILE 56 17.918 -2.959 2.701 432 H GLY 57 H GLY 57 20.532 0.464 2.263 433 HA2 GLY 57 HA2 GLY 57 22.822 1.060 0.821 434 HA3 GLY 57 HA3 GLY 57 21.693 2.401 0.481 435 H ALA 58 H ALA 58 23.215 3.769 1.765 436 HA ALA 58 HA ALA 58 23.628 3.284 4.571 437 HB1 ALA 58 HB1 ALA 58 25.048 4.834 3.251 438 HB2 ALA 58 HB2 ALA 58 23.648 5.908 3.000 439 HB3 ALA 58 HB3 ALA 58 24.305 5.667 4.635 440 H GLY 59 H GLY 59 20.995 4.479 2.672 441 HA2 GLY 59 HA2 GLY 59 19.420 4.982 5.151 442 HA3 GLY 59 HA3 GLY 59 19.217 5.950 3.662 443 H VAL 60 H VAL 60 17.126 4.280 4.802 444 HA VAL 60 HA VAL 60 16.983 2.136 2.709 445 HB VAL 60 HB VAL 60 15.933 2.093 5.584 446 HG11 VAL 60 HG11 VAL 60 15.198 -0.240 5.075 447 HG12 VAL 60 HG12 VAL 60 14.322 0.964 4.114 448 HG13 VAL 60 HG13 VAL 60 15.630 0.012 3.368 449 HG21 VAL 60 HG21 VAL 60 17.476 0.165 5.866 450 HG22 VAL 60 HG22 VAL 60 18.073 0.411 4.206 451 HG23 VAL 60 HG23 VAL 60 18.351 1.650 5.449 452 H ASN 61 H ASN 61 15.111 2.171 1.470 453 HA ASN 61 HA ASN 61 12.967 4.024 2.427 454 HB2 ASN 61 HB2 ASN 61 14.521 5.042 0.662 455 HB3 ASN 61 HB3 ASN 61 13.820 3.881 -0.471 456 HD21 ASN 61 HD21 ASN 61 13.709 6.954 0.147 457 HD22 ASN 61 HD22 ASN 61 12.008 7.305 -0.038 458 H TYR 62 H TYR 62 11.034 3.135 2.450 459 HA TYR 62 HA TYR 62 10.650 0.491 1.145 460 HB2 TYR 62 HB2 TYR 62 8.985 2.144 3.083 461 HB3 TYR 62 HB3 TYR 62 8.449 0.612 2.393 462 HD1 TYR 62 HD1 TYR 62 9.059 -1.452 3.408 463 HD2 TYR 62 HD2 TYR 62 11.134 2.148 4.546 464 HE1 TYR 62 HE1 TYR 62 10.196 -2.676 5.263 465 HE2 TYR 62 HE2 TYR 62 12.272 0.891 6.381 466 HH TYR 62 HH TYR 62 11.686 -2.564 6.990 467 H PHE 63 H PHE 63 10.046 0.623 -0.954 468 HA PHE 63 HA PHE 63 8.429 2.989 -1.826 469 HB2 PHE 63 HB2 PHE 63 10.205 0.949 -3.137 470 HB3 PHE 63 HB3 PHE 63 8.901 1.658 -4.084 471 HD1 PHE 63 HD1 PHE 63 9.210 3.656 -5.213 472 HD2 PHE 63 HD2 PHE 63 11.837 2.649 -1.953 473 HE1 PHE 63 HE1 PHE 63 10.635 5.622 -5.760 474 HE2 PHE 63 HE2 PHE 63 13.271 4.614 -2.506 475 HZ PHE 63 HZ PHE 63 12.675 6.098 -4.408 476 H LEU 64 H LEU 64 6.277 2.675 -1.674 477 HA LEU 64 HA LEU 64 5.219 -0.076 -2.271 478 HB2 LEU 64 HB2 LEU 64 3.953 2.126 -0.617 479 HB3 LEU 64 HB3 LEU 64 3.277 0.548 -0.930 480 HG LEU 64 HG LEU 64 3.877 0.303 1.212 481 HD11 LEU 64 HD11 LEU 64 5.844 -1.044 1.515 482 HD12 LEU 64 HD12 LEU 64 5.162 -1.422 -0.081 483 HD13 LEU 64 HD13 LEU 64 6.600 -0.382 0.051 484 HD21 LEU 64 HD21 LEU 64 6.283 2.091 0.732 485 HD22 LEU 64 HD22 LEU 64 4.762 2.528 1.536 486 HD23 LEU 64 HD23 LEU 64 5.857 1.357 2.285 487 H ASP 65 H ASP 65 3.844 -0.206 -3.955 488 HA ASP 65 HA ASP 65 2.467 2.323 -4.825 489 HB2 ASP 65 HB2 ASP 65 3.914 0.249 -6.527 490 HB3 ASP 65 HB3 ASP 65 2.536 1.157 -7.168 491 H VAL 66 H VAL 66 0.658 2.279 -5.337 492 HA VAL 66 HA VAL 66 -0.965 -0.058 -4.860 493 HB VAL 66 HB VAL 66 -0.163 1.621 -2.711 494 HG11 VAL 66 HG11 VAL 66 -2.325 2.101 -1.763 495 HG12 VAL 66 HG12 VAL 66 -2.226 2.906 -3.326 496 HG13 VAL 66 HG13 VAL 66 -3.166 1.395 -3.175 497 HG21 VAL 66 HG21 VAL 66 -2.191 -0.511 -2.860 498 HG22 VAL 66 HG22 VAL 66 -0.436 -0.670 -2.920 499 HG23 VAL 66 HG23 VAL 66 -1.154 0.022 -1.489 500 H GLU 67 H GLU 67 -2.918 -0.182 -5.311 501 HA GLU 67 HA GLU 67 -3.980 1.887 -7.129 502 HB2 GLU 67 HB2 GLU 67 -3.929 -0.639 -7.585 503 HB3 GLU 67 HB3 GLU 67 -5.199 -0.776 -6.362 504 HG2 GLU 67 HG2 GLU 67 -6.566 0.816 -7.695 505 HG3 GLU 67 HG3 GLU 67 -5.299 0.797 -8.937 506 H LEU 68 H LEU 68 -5.511 3.285 -6.525 507 HA LEU 68 HA LEU 68 -6.898 2.852 -3.912 508 HB2 LEU 68 HB2 LEU 68 -6.093 5.295 -5.415 509 HB3 LEU 68 HB3 LEU 68 -7.581 5.364 -4.504 510 HG LEU 68 HG LEU 68 -5.399 6.268 -3.476 511 HD11 LEU 68 HD11 LEU 68 -7.281 4.440 -1.962 512 HD12 LEU 68 HD12 LEU 68 -6.276 5.721 -1.252 513 HD13 LEU 68 HD13 LEU 68 -7.562 6.146 -2.385 514 HD21 LEU 68 HD21 LEU 68 -5.109 3.383 -2.599 515 HD22 LEU 68 HD22 LEU 68 -4.055 4.185 -3.785 516 HD23 LEU 68 HD23 LEU 68 -4.116 4.779 -2.115 517 H GLY 69 H GLY 69 -9.012 3.178 -3.664 518 HA2 GLY 69 HA2 GLY 69 -10.760 3.883 -5.845 519 HA3 GLY 69 HA3 GLY 69 -10.814 2.137 -5.451 520 H ARG 70 H ARG 70 -13.024 3.789 -4.942 521 HA ARG 70 HA ARG 70 -12.890 4.264 -1.998 522 HB2 ARG 70 HB2 ARG 70 -15.009 5.076 -4.027 523 HB3 ARG 70 HB3 ARG 70 -14.957 5.533 -2.314 524 HG2 ARG 70 HG2 ARG 70 -12.762 6.671 -2.747 525 HG3 ARG 70 HG3 ARG 70 -12.946 6.302 -4.466 526 HD2 ARG 70 HD2 ARG 70 -15.105 7.576 -4.429 527 HD3 ARG 70 HD3 ARG 70 -14.702 8.096 -2.780 528 HE ARG 70 HE ARG 70 -13.420 8.943 -5.309 529 HH11 ARG 70 HH11 ARG 70 -13.091 8.925 -1.776 530 HH12 ARG 70 HH12 ARG 70 -11.964 10.243 -1.783 531 HH21 ARG 70 HH21 ARG 70 -11.993 10.561 -5.253 532 HH22 ARG 70 HH22 ARG 70 -11.344 11.166 -3.740 533 H THR 71 H THR 71 -14.135 2.993 -0.668 534 HA THR 71 HA THR 71 -15.213 0.597 -2.065 535 HB THR 71 HB THR 71 -14.810 -0.560 0.122 536 HG1 THR 71 HG1 THR 71 -14.767 1.671 1.188 537 HG21 THR 71 HG21 THR 71 -12.466 -0.809 -0.222 538 HG22 THR 71 HG22 THR 71 -13.149 -0.455 -1.816 539 HG23 THR 71 HG23 THR 71 -12.309 0.826 -0.906 540 H THR 72 H THR 72 -16.960 -0.549 -1.326 541 HA THR 72 HA THR 72 -19.159 1.218 -0.502 542 HB THR 72 HB THR 72 -20.514 -0.898 -0.912 543 HG1 THR 72 HG1 THR 72 -18.273 -2.025 -2.164 544 HG21 THR 72 HG21 THR 72 -20.153 -0.920 -3.347 545 HG22 THR 72 HG22 THR 72 -20.145 0.743 -2.718 546 HG23 THR 72 HG23 THR 72 -18.614 -0.060 -3.142 547 H CYS 73 H CYS 73 -16.927 -0.292 1.366 548 HA CYS 73 HA CYS 73 -18.955 -0.832 3.484 549 HB2 CYS 73 HB2 CYS 73 -17.434 -2.560 4.363 550 HB3 CYS 73 HB3 CYS 73 -18.143 -2.975 2.793 551 H THR 74 H THR 74 -18.121 -0.862 5.632 552 HA THR 74 HA THR 74 -16.029 1.209 6.006 553 HB THR 74 HB THR 74 -17.164 1.901 8.004 554 HG1 THR 74 HG1 THR 74 -18.644 0.550 9.018 555 HG21 THR 74 HG21 THR 74 -19.373 2.357 7.511 556 HG22 THR 74 HG22 THR 74 -18.576 2.330 5.926 557 HG23 THR 74 HG23 THR 74 -19.556 0.927 6.470 558 H LYS 75 H LYS 75 -15.113 1.014 8.274 559 HA LYS 75 HA LYS 75 -13.719 -1.427 8.575 560 HB2 LYS 75 HB2 LYS 75 -13.190 -0.423 10.869 561 HB3 LYS 75 HB3 LYS 75 -12.860 0.644 9.501 562 HG2 LYS 75 HG2 LYS 75 -14.847 1.972 9.937 563 HG3 LYS 75 HG3 LYS 75 -15.443 0.777 11.084 564 HD2 LYS 75 HD2 LYS 75 -14.585 2.609 12.355 565 HD3 LYS 75 HD3 LYS 75 -13.489 1.230 12.581 566 HE2 LYS 75 HE2 LYS 75 -11.966 2.181 10.860 567 HE3 LYS 75 HE3 LYS 75 -13.071 3.552 10.645 568 HZ1 LYS 75 HZ1 LYS 75 -12.632 4.205 12.912 569 HZ2 LYS 75 HZ2 LYS 75 -11.670 2.888 13.169 570 HZ3 LYS 75 HZ3 LYS 75 -11.200 4.059 12.106 571 H THR 76 H THR 76 -16.849 -0.632 9.703 572 HA THR 76 HA THR 76 -16.803 -2.809 11.694 573 HB THR 76 HB THR 76 -19.145 -1.695 11.725 574 HG1 THR 76 HG1 THR 76 -18.971 0.496 11.329 575 HG21 THR 76 HG21 THR 76 -18.308 -0.195 13.529 576 HG22 THR 76 HG22 THR 76 -17.479 -1.773 13.627 577 HG23 THR 76 HG23 THR 76 -16.655 -0.388 12.888 578 H GLN 77 H GLN 77 -17.986 -2.009 8.770 579 HA GLN 77 HA GLN 77 -20.493 -3.213 8.588 580 HB2 GLN 77 HB2 GLN 77 -18.391 -2.548 6.554 581 HB3 GLN 77 HB3 GLN 77 -19.717 -3.592 6.056 582 HG2 GLN 77 HG2 GLN 77 -20.198 -0.999 7.469 583 HG3 GLN 77 HG3 GLN 77 -19.982 -1.094 5.706 584 HE21 GLN 77 HE21 GLN 77 -22.296 -0.907 7.992 585 HE22 GLN 77 HE22 GLN 77 -23.588 -1.725 7.148 586 HA PRO 78 HA PRO 78 -19.672 -7.473 8.817 587 HB2 PRO 78 HB2 PRO 78 -22.064 -8.467 8.063 588 HB3 PRO 78 HB3 PRO 78 -21.927 -7.373 9.478 589 HG2 PRO 78 HG2 PRO 78 -22.672 -6.684 6.627 590 HG3 PRO 78 HG3 PRO 78 -23.561 -6.296 8.136 591 HD2 PRO 78 HD2 PRO 78 -21.813 -4.543 6.936 592 HD3 PRO 78 HD3 PRO 78 -22.063 -4.596 8.707 593 H ASN 79 H ASN 79 -19.366 -6.092 5.852 594 HA ASN 79 HA ASN 79 -19.485 -8.710 4.414 595 HB2 ASN 79 HB2 ASN 79 -20.257 -7.559 2.449 596 HB3 ASN 79 HB3 ASN 79 -21.301 -7.112 3.803 597 HD21 ASN 79 HD21 ASN 79 -21.023 -5.644 1.385 598 HD22 ASN 79 HD22 ASN 79 -20.354 -4.084 1.797 599 H LEU 80 H LEU 80 -17.038 -7.548 5.672 600 HA LEU 80 HA LEU 80 -15.497 -6.236 3.692 601 HB2 LEU 80 HB2 LEU 80 -14.841 -7.590 6.244 602 HB3 LEU 80 HB3 LEU 80 -13.533 -7.359 5.089 603 HG LEU 80 HG LEU 80 -14.196 -4.912 4.973 604 HD11 LEU 80 HD11 LEU 80 -15.307 -4.030 7.021 605 HD12 LEU 80 HD12 LEU 80 -16.392 -4.956 5.973 606 HD13 LEU 80 HD13 LEU 80 -15.747 -5.689 7.460 607 HD21 LEU 80 HD21 LEU 80 -12.932 -4.404 7.033 608 HD22 LEU 80 HD22 LEU 80 -13.168 -6.078 7.584 609 HD23 LEU 80 HD23 LEU 80 -12.213 -5.748 6.115 610 H ASP 81 H ASP 81 -16.297 -9.588 3.512 611 HA ASP 81 HA ASP 81 -13.837 -10.111 1.968 612 HB2 ASP 81 HB2 ASP 81 -16.358 -11.752 2.367 613 HB3 ASP 81 HB3 ASP 81 -14.895 -12.314 1.541 614 H ASN 82 H ASN 82 -17.280 -9.582 1.502 615 HA ASN 82 HA ASN 82 -17.175 -9.955 -1.380 616 HB2 ASN 82 HB2 ASN 82 -19.312 -8.799 0.452 617 HB3 ASN 82 HB3 ASN 82 -19.533 -9.092 -1.280 618 HD21 ASN 82 HD21 ASN 82 -19.198 -11.330 -2.034 619 HD22 ASN 82 HD22 ASN 82 -19.671 -12.620 -0.953 620 H CYS 83 H CYS 83 -17.171 -7.187 0.827 621 HA CYS 83 HA CYS 83 -17.821 -5.185 -1.047 622 HB2 CYS 83 HB2 CYS 83 -17.901 -4.582 1.183 623 HB3 CYS 83 HB3 CYS 83 -16.332 -5.284 1.548 624 HA PRO 84 HA PRO 84 -13.476 -4.317 -2.261 625 HB2 PRO 84 HB2 PRO 84 -11.312 -5.848 -1.598 626 HB3 PRO 84 HB3 PRO 84 -11.891 -4.472 -0.604 627 HG2 PRO 84 HG2 PRO 84 -12.419 -7.392 -0.273 628 HG3 PRO 84 HG3 PRO 84 -11.922 -6.179 0.951 629 HD2 PRO 84 HD2 PRO 84 -14.478 -6.984 0.648 630 HD3 PRO 84 HD3 PRO 84 -14.042 -5.308 1.124 631 H PHE 85 H PHE 85 -14.275 -7.806 -1.985 632 HA PHE 85 HA PHE 85 -12.988 -8.680 -4.367 633 HB2 PHE 85 HB2 PHE 85 -14.021 -10.211 -2.757 634 HB3 PHE 85 HB3 PHE 85 -15.616 -9.550 -3.125 635 HD1 PHE 85 HD1 PHE 85 -12.766 -11.460 -4.594 636 HD2 PHE 85 HD2 PHE 85 -16.912 -10.362 -4.918 637 HE1 PHE 85 HE1 PHE 85 -13.055 -13.120 -6.431 638 HE2 PHE 85 HE2 PHE 85 -17.219 -12.022 -6.749 639 HZ PHE 85 HZ PHE 85 -15.286 -13.404 -7.514 640 H HIS 86 H HIS 86 -16.194 -7.123 -3.891 641 HA HIS 86 HA HIS 86 -16.678 -7.218 -6.787 642 HB2 HIS 86 HB2 HIS 86 -18.216 -5.915 -4.522 643 HB3 HIS 86 HB3 HIS 86 -18.727 -5.946 -6.216 644 HD1 HIS 86 HD1 HIS 86 -18.704 -8.681 -7.168 645 HD2 HIS 86 HD2 HIS 86 -19.412 -7.886 -3.152 646 HE1 HIS 86 HE1 HIS 86 -19.844 -10.724 -6.213 647 H ASP 87 H ASP 87 -15.495 -4.878 -4.417 648 HA ASP 87 HA ASP 87 -15.959 -2.542 -6.018 649 HB2 ASP 87 HB2 ASP 87 -14.112 -3.101 -3.677 650 HB3 ASP 87 HB3 ASP 87 -14.202 -1.519 -4.464 651 H GLN 88 H GLN 88 -13.017 -4.606 -5.628 652 HA GLN 88 HA GLN 88 -11.304 -2.923 -7.139 653 HB2 GLN 88 HB2 GLN 88 -11.327 -5.809 -6.434 654 HB3 GLN 88 HB3 GLN 88 -10.260 -5.310 -7.757 655 HG2 GLN 88 HG2 GLN 88 -9.005 -3.952 -6.423 656 HG3 GLN 88 HG3 GLN 88 -10.287 -3.758 -5.223 657 HE21 GLN 88 HE21 GLN 88 -7.727 -5.881 -6.387 658 HE22 GLN 88 HE22 GLN 88 -7.699 -6.894 -4.959 659 HA PRO 89 HA PRO 89 -12.395 -4.939 -11.134 660 HB2 PRO 89 HB2 PRO 89 -14.668 -6.429 -11.515 661 HB3 PRO 89 HB3 PRO 89 -13.122 -7.156 -10.964 662 HG2 PRO 89 HG2 PRO 89 -15.467 -6.240 -9.292 663 HG3 PRO 89 HG3 PRO 89 -14.627 -7.822 -9.268 664 HD2 PRO 89 HD2 PRO 89 -14.026 -5.902 -7.516 665 HD3 PRO 89 HD3 PRO 89 -12.750 -6.941 -8.223 666 H HIS 90 H HIS 90 -14.860 -3.600 -9.013 667 HA HIS 90 HA HIS 90 -16.522 -2.526 -11.156 668 HB2 HIS 90 HB2 HIS 90 -17.228 -3.003 -8.742 669 HB3 HIS 90 HB3 HIS 90 -16.370 -1.524 -8.299 670 HD1 HIS 90 HD1 HIS 90 -19.530 -2.778 -9.851 671 HD2 HIS 90 HD2 HIS 90 -17.580 0.852 -9.295 672 HE1 HIS 90 HE1 HIS 90 -21.217 -0.964 -10.349 673 H LEU 91 H LEU 91 -13.478 -1.673 -9.774 674 HA LEU 91 HA LEU 91 -13.627 1.181 -10.076 675 HB2 LEU 91 HB2 LEU 91 -11.283 -0.730 -10.160 676 HB3 LEU 91 HB3 LEU 91 -11.130 1.002 -10.229 677 HG LEU 91 HG LEU 91 -11.589 -0.756 -7.882 678 HD11 LEU 91 HD11 LEU 91 -9.416 0.178 -8.500 679 HD12 LEU 91 HD12 LEU 91 -10.087 1.829 -8.476 680 HD13 LEU 91 HD13 LEU 91 -9.976 0.883 -6.987 681 HD21 LEU 91 HD21 LEU 91 -12.580 2.133 -7.965 682 HD22 LEU 91 HD22 LEU 91 -13.599 0.685 -7.738 683 HD23 LEU 91 HD23 LEU 91 -12.405 1.120 -6.511 684 H LYS 92 H LYS 92 -14.583 1.658 -12.079 685 HA LYS 92 HA LYS 92 -13.315 0.792 -14.566 686 HB2 LYS 92 HB2 LYS 92 -15.213 3.124 -14.081 687 HB3 LYS 92 HB3 LYS 92 -14.780 2.439 -15.649 688 HG2 LYS 92 HG2 LYS 92 -16.379 1.060 -13.447 689 HG3 LYS 92 HG3 LYS 92 -17.009 1.690 -14.970 690 HD2 LYS 92 HD2 LYS 92 -16.749 -0.404 -15.779 691 HD3 LYS 92 HD3 LYS 92 -15.008 -0.065 -15.816 692 HE2 LYS 92 HE2 LYS 92 -14.856 -0.909 -13.449 693 HE3 LYS 92 HE3 LYS 92 -16.567 -1.340 -13.522 694 HZ1 LYS 92 HZ1 LYS 92 -16.052 -2.923 -15.240 695 HZ2 LYS 92 HZ2 LYS 92 -14.468 -2.457 -15.282 696 HZ3 LYS 92 HZ3 LYS 92 -15.069 -3.203 -13.937 697 H ARG 93 H ARG 93 -13.062 3.490 -12.330 698 HA ARG 93 HA ARG 93 -10.866 4.679 -13.971 699 HB2 ARG 93 HB2 ARG 93 -12.181 5.570 -11.355 700 HB3 ARG 93 HB3 ARG 93 -10.817 6.385 -12.127 701 HG2 ARG 93 HG2 ARG 93 -12.263 6.796 -14.130 702 HG3 ARG 93 HG3 ARG 93 -13.640 6.152 -13.211 703 HD2 ARG 93 HD2 ARG 93 -11.889 8.490 -12.334 704 HD3 ARG 93 HD3 ARG 93 -13.449 8.668 -13.148 705 HE ARG 93 HE ARG 93 -12.959 7.856 -10.342 706 HH11 ARG 93 HH11 ARG 93 -15.392 8.200 -12.901 707 HH12 ARG 93 HH12 ARG 93 -16.706 8.172 -11.759 708 HH21 ARG 93 HH21 ARG 93 -14.639 7.835 -8.989 709 HH22 ARG 93 HH22 ARG 93 -16.294 7.970 -9.570 710 H LYS 94 H LYS 94 -8.804 4.060 -13.430 711 HA LYS 94 HA LYS 94 -8.486 2.566 -10.846 712 HB2 LYS 94 HB2 LYS 94 -7.003 2.422 -13.509 713 HB3 LYS 94 HB3 LYS 94 -6.371 1.714 -12.020 714 HG2 LYS 94 HG2 LYS 94 -9.038 0.934 -13.271 715 HG3 LYS 94 HG3 LYS 94 -7.506 0.070 -13.512 716 HD2 LYS 94 HD2 LYS 94 -7.348 -0.143 -11.004 717 HD3 LYS 94 HD3 LYS 94 -9.010 0.448 -10.908 718 HE2 LYS 94 HE2 LYS 94 -9.765 -1.450 -12.297 719 HE3 LYS 94 HE3 LYS 94 -8.084 -2.023 -12.417 720 HZ1 LYS 94 HZ1 LYS 94 -8.113 -2.144 -9.923 721 HZ2 LYS 94 HZ2 LYS 94 -9.741 -1.876 -9.967 722 HZ3 LYS 94 HZ3 LYS 94 -9.118 -3.225 -10.669 723 H ALA 95 H ALA 95 -7.759 3.930 -9.369 724 HA ALA 95 HA ALA 95 -5.986 6.151 -10.196 725 HB1 ALA 95 HB1 ALA 95 -6.282 6.882 -7.863 726 HB2 ALA 95 HB2 ALA 95 -7.857 6.590 -8.628 727 HB3 ALA 95 HB3 ALA 95 -7.185 5.397 -7.502 728 H PHE 96 H PHE 96 -3.805 6.137 -9.700 729 HA PHE 96 HA PHE 96 -2.856 3.807 -8.098 730 HB2 PHE 96 HB2 PHE 96 -0.789 3.855 -9.483 731 HB3 PHE 96 HB3 PHE 96 -2.238 3.368 -10.370 732 HD1 PHE 96 HD1 PHE 96 -3.182 4.756 -12.143 733 HD2 PHE 96 HD2 PHE 96 0.302 6.034 -9.955 734 HE1 PHE 96 HE1 PHE 96 -2.740 6.496 -13.871 735 HE2 PHE 96 HE2 PHE 96 0.748 7.779 -11.675 736 HZ PHE 96 HZ PHE 96 -0.770 8.011 -13.641 737 H CYS 97 H CYS 97 -1.436 4.266 -6.565 738 HA CYS 97 HA CYS 97 -0.513 7.085 -6.213 739 HB2 CYS 97 HB2 CYS 97 -1.532 5.135 -4.120 740 HB3 CYS 97 HB3 CYS 97 -0.887 6.751 -3.801 741 H SER 98 H SER 98 1.448 7.313 -4.983 742 HA SER 98 HA SER 98 3.030 4.798 -4.705 743 HB2 SER 98 HB2 SER 98 4.118 7.450 -5.712 744 HB3 SER 98 HB3 SER 98 4.979 5.907 -5.600 745 HG SER 98 HG SER 98 3.567 5.072 -7.192 746 H PHE 99 H PHE 99 3.942 4.616 -2.779 747 HA PHE 99 HA PHE 99 4.139 7.067 -1.062 748 HB2 PHE 99 HB2 PHE 99 3.401 4.254 -0.185 749 HB3 PHE 99 HB3 PHE 99 3.523 5.681 0.850 750 HD1 PHE 99 HD1 PHE 99 1.941 7.663 0.307 751 HD2 PHE 99 HD2 PHE 99 1.345 3.679 -1.193 752 HE1 PHE 99 HE1 PHE 99 -0.437 8.206 -0.167 753 HE2 PHE 99 HE2 PHE 99 -1.047 4.208 -1.647 754 HZ PHE 99 HZ PHE 99 -1.944 6.479 -1.134 755 H GLN 100 H GLN 100 6.086 7.440 -0.307 756 HA GLN 100 HA GLN 100 8.051 5.168 -0.269 757 HB2 GLN 100 HB2 GLN 100 8.433 8.042 -1.124 758 HB3 GLN 100 HB3 GLN 100 9.772 7.016 -0.630 759 HG2 GLN 100 HG2 GLN 100 9.749 6.912 -2.972 760 HG3 GLN 100 HG3 GLN 100 9.078 5.378 -2.408 761 HE21 GLN 100 HE21 GLN 100 7.490 4.702 -3.662 762 HE22 GLN 100 HE22 GLN 100 6.304 5.709 -4.447 763 H ILE 101 H ILE 101 8.378 4.641 1.772 764 HA ILE 101 HA ILE 101 8.417 6.846 3.798 765 HB ILE 101 HB ILE 101 8.374 3.824 4.243 766 HG12 ILE 101 HG12 ILE 101 6.128 5.794 4.774 767 HG13 ILE 101 HG13 ILE 101 6.256 4.913 3.249 768 HG21 ILE 101 HG21 ILE 101 8.202 6.194 6.164 769 HG22 ILE 101 HG22 ILE 101 7.841 4.525 6.627 770 HG23 ILE 101 HG23 ILE 101 9.478 4.950 6.094 771 HD11 ILE 101 HD11 ILE 101 6.182 2.776 4.530 772 HD12 ILE 101 HD12 ILE 101 5.857 3.716 6.003 773 HD13 ILE 101 HD13 ILE 101 4.706 3.753 4.650 774 H TYR 102 H TYR 102 10.386 7.633 4.284 775 HA TYR 102 HA TYR 102 12.736 5.963 3.580 776 HB2 TYR 102 HB2 TYR 102 12.804 8.326 2.939 777 HB3 TYR 102 HB3 TYR 102 12.472 8.813 4.610 778 HD1 TYR 102 HD1 TYR 102 14.251 9.093 6.165 779 HD2 TYR 102 HD2 TYR 102 14.979 6.989 2.482 780 HE1 TYR 102 HE1 TYR 102 16.692 9.060 6.656 781 HE2 TYR 102 HE2 TYR 102 17.417 6.960 2.988 782 HH TYR 102 HH TYR 102 18.763 8.434 5.953 783 H ALA 103 H ALA 103 13.652 4.727 5.101 784 HA ALA 103 HA ALA 103 12.899 5.191 7.911 785 HB1 ALA 103 HB1 ALA 103 13.705 2.955 8.279 786 HB2 ALA 103 HB2 ALA 103 12.417 2.987 7.039 787 HB3 ALA 103 HB3 ALA 103 14.131 2.822 6.557 788 H VAL 104 H VAL 104 14.420 5.702 9.338 789 HA VAL 104 HA VAL 104 16.952 6.643 8.050 790 HB VAL 104 HB VAL 104 16.264 7.191 10.925 791 HG11 VAL 104 HG11 VAL 104 16.888 9.063 8.772 792 HG12 VAL 104 HG12 VAL 104 16.919 9.332 10.524 793 HG13 VAL 104 HG13 VAL 104 18.088 8.212 9.791 794 HG21 VAL 104 HG21 VAL 104 14.571 8.879 10.382 795 HG22 VAL 104 HG22 VAL 104 14.457 8.135 8.763 796 HG23 VAL 104 HG23 VAL 104 14.130 7.180 10.230 797 HA PRO 105 HA PRO 105 17.098 2.971 10.142 798 HB2 PRO 105 HB2 PRO 105 19.443 1.640 9.445 799 HB3 PRO 105 HB3 PRO 105 18.048 1.811 8.326 800 HG2 PRO 105 HG2 PRO 105 20.524 3.534 8.524 801 HG3 PRO 105 HG3 PRO 105 19.809 2.764 7.071 802 HD2 PRO 105 HD2 PRO 105 19.311 5.363 7.721 803 HD3 PRO 105 HD3 PRO 105 18.058 4.316 6.971 804 H TRP 106 H TRP 106 19.712 5.184 10.358 805 HA TRP 106 HA TRP 106 21.333 4.093 12.377 806 HB2 TRP 106 HB2 TRP 106 21.722 6.053 10.823 807 HB3 TRP 106 HB3 TRP 106 20.681 7.015 11.864 808 HD1 TRP 106 HD1 TRP 106 22.737 4.827 14.035 809 HE1 TRP 106 HE1 TRP 106 24.744 6.034 15.018 810 HE3 TRP 106 HE3 TRP 106 22.591 8.975 11.042 811 HZ2 TRP 106 HZ2 TRP 106 26.131 8.490 14.571 812 HZ3 TRP 106 HZ3 TRP 106 24.315 10.760 11.384 813 HH2 TRP 106 HH2 TRP 106 26.071 10.502 13.138 814 H GLN 107 H GLN 107 18.259 5.864 12.629 815 HA GLN 107 HA GLN 107 18.522 5.785 15.608 816 HB2 GLN 107 HB2 GLN 107 16.834 7.441 13.724 817 HB3 GLN 107 HB3 GLN 107 16.503 7.344 15.454 818 HG2 GLN 107 HG2 GLN 107 17.749 9.325 15.146 819 HG3 GLN 107 HG3 GLN 107 18.860 8.158 15.870 820 HE21 GLN 107 HE21 GLN 107 20.795 8.777 15.125 821 HE22 GLN 107 HE22 GLN 107 21.203 8.962 13.437 822 H GLY 108 H GLY 108 17.249 3.922 13.138 823 HA2 GLY 108 HA2 GLY 108 15.752 2.164 13.219 824 HA3 GLY 108 HA3 GLY 108 15.587 2.431 14.963 825 H THR 109 H THR 109 15.058 5.133 12.948 826 HA THR 109 HA THR 109 12.142 5.092 13.554 827 HB THR 109 HB THR 109 12.517 7.570 12.770 828 HG1 THR 109 HG1 THR 109 14.683 8.236 13.184 829 HG21 THR 109 HG21 THR 109 13.223 8.243 15.044 830 HG22 THR 109 HG22 THR 109 12.042 6.918 15.131 831 HG23 THR 109 HG23 THR 109 13.774 6.583 15.372 832 H MET 110 H MET 110 10.762 6.142 11.816 833 HA MET 110 HA MET 110 12.116 6.346 9.208 834 HB2 MET 110 HB2 MET 110 10.494 4.857 8.059 835 HB3 MET 110 HB3 MET 110 11.320 3.958 9.328 836 HG2 MET 110 HG2 MET 110 9.185 4.600 10.749 837 HG3 MET 110 HG3 MET 110 8.443 4.761 9.147 838 HE1 MET 110 HE1 MET 110 8.041 2.536 7.458 839 HE2 MET 110 HE2 MET 110 9.815 2.627 7.333 840 HE3 MET 110 HE3 MET 110 9.026 1.072 7.673 841 H THR 111 H THR 111 10.702 7.502 7.636 842 HA THR 111 HA THR 111 8.326 8.887 8.756 843 HB THR 111 HB THR 111 10.792 10.285 7.616 844 HG1 THR 111 HG1 THR 111 9.861 9.768 10.191 845 HG21 THR 111 HG21 THR 111 9.583 12.354 8.315 846 HG22 THR 111 HG22 THR 111 8.847 11.487 6.948 847 HG23 THR 111 HG23 THR 111 8.132 11.359 8.579 848 H LEU 112 H LEU 112 6.821 9.396 7.105 849 HA LEU 112 HA LEU 112 7.197 8.288 4.503 850 HB2 LEU 112 HB2 LEU 112 5.045 8.753 5.752 851 HB3 LEU 112 HB3 LEU 112 5.273 10.455 5.406 852 HG LEU 112 HG LEU 112 5.024 9.974 2.974 853 HD11 LEU 112 HD11 LEU 112 4.172 7.725 2.336 854 HD12 LEU 112 HD12 LEU 112 5.840 7.680 2.934 855 HD13 LEU 112 HD13 LEU 112 4.508 7.163 3.994 856 HD21 LEU 112 HD21 LEU 112 3.071 10.633 4.265 857 HD22 LEU 112 HD22 LEU 112 2.574 9.327 3.172 858 HD23 LEU 112 HD23 LEU 112 2.859 8.983 4.889 859 H SER 113 H SER 113 8.528 9.052 3.000 860 HA SER 113 HA SER 113 9.486 11.839 3.133 861 HB2 SER 113 HB2 SER 113 11.080 9.988 2.782 862 HB3 SER 113 HB3 SER 113 10.216 9.515 1.306 863 HG SER 113 HG SER 113 10.735 12.085 1.074 864 H LYS 114 H LYS 114 7.475 9.733 1.103 865 HA LYS 114 HA LYS 114 6.440 12.149 -0.262 866 HB2 LYS 114 HB2 LYS 114 8.304 11.454 -1.712 867 HB3 LYS 114 HB3 LYS 114 7.635 9.822 -1.804 868 HG2 LYS 114 HG2 LYS 114 5.663 10.601 -2.967 869 HG3 LYS 114 HG3 LYS 114 6.148 12.293 -2.720 870 HD2 LYS 114 HD2 LYS 114 8.148 11.900 -4.119 871 HD3 LYS 114 HD3 LYS 114 7.579 10.235 -4.412 872 HE2 LYS 114 HE2 LYS 114 5.444 11.151 -5.273 873 HE3 LYS 114 HE3 LYS 114 6.067 12.793 -5.035 874 HZ1 LYS 114 HZ1 LYS 114 7.224 10.760 -6.858 875 HZ2 LYS 114 HZ2 LYS 114 6.321 12.060 -7.323 876 HZ3 LYS 114 HZ3 LYS 114 7.808 12.289 -6.645 877 H SER 115 H SER 115 4.360 11.974 -0.769 878 HA SER 115 HA SER 115 3.141 9.300 -1.091 879 HB2 SER 115 HB2 SER 115 1.171 10.092 0.242 880 HB3 SER 115 HB3 SER 115 2.626 9.862 1.226 881 HG SER 115 HG SER 115 1.861 12.365 0.127 882 H THR 116 H THR 116 2.174 9.370 -3.014 883 HA THR 116 HA THR 116 0.935 11.953 -3.856 884 HB THR 116 HB THR 116 3.219 11.787 -4.947 885 HG1 THR 116 HG1 THR 116 1.151 11.453 -6.864 886 HG21 THR 116 HG21 THR 116 3.356 9.347 -5.194 887 HG22 THR 116 HG22 THR 116 2.004 9.377 -6.352 888 HG23 THR 116 HG23 THR 116 3.540 10.167 -6.759 889 H CYS 117 H CYS 117 -0.830 11.601 -5.366 890 HA CYS 117 HA CYS 117 -1.673 8.797 -5.684 891 HB2 CYS 117 HB2 CYS 117 -2.737 10.680 -3.702 892 HB3 CYS 117 HB3 CYS 117 -3.984 10.082 -4.793 893 H GLN 118 H GLN 118 -3.778 8.677 -6.811 894 HA GLN 118 HA GLN 118 -4.137 10.906 -8.782 895 HB2 GLN 118 HB2 GLN 118 -4.155 7.885 -9.046 896 HB3 GLN 118 HB3 GLN 118 -5.064 8.892 -10.185 897 HG2 GLN 118 HG2 GLN 118 -2.068 9.050 -9.679 898 HG3 GLN 118 HG3 GLN 118 -2.843 8.247 -11.047 899 HE21 GLN 118 HE21 GLN 118 -4.824 10.141 -11.685 900 HE22 GLN 118 HE22 GLN 118 -4.027 11.586 -12.259 901 H ASP 119 H ASP 119 -6.379 11.214 -9.423 902 HA ASP 119 HA ASP 119 -8.205 11.028 -7.229 903 HB2 ASP 119 HB2 ASP 119 -8.609 11.670 -10.169 904 HB3 ASP 119 HB3 ASP 119 -9.866 11.843 -8.932 905 H ALA 120 H ALA 120 -9.991 9.789 -6.884 906 HA ALA 120 HA ALA 120 -10.419 7.432 -8.664 907 HB1 ALA 120 HB1 ALA 120 -10.535 7.466 -5.605 908 HB2 ALA 120 HB2 ALA 120 -10.807 6.060 -6.663 909 HB3 ALA 120 HB3 ALA 120 -9.192 6.795 -6.558 Start of MODEL 11 1 H1 SER 1 H1 SER 1 18.012 -5.645 -19.479 2 H2 SER 1 H2 SER 1 19.550 -5.428 -19.029 3 H3 SER 1 H3 SER 1 18.392 -4.465 -18.441 4 HA SER 1 HA SER 1 18.649 -7.351 -17.894 5 HB2 SER 1 HB2 SER 1 18.999 -4.980 -16.019 6 HB3 SER 1 HB3 SER 1 19.262 -6.697 -15.632 7 HG SER 1 HG SER 1 21.231 -5.658 -16.131 8 H SER 2 H SER 2 17.153 -8.039 -16.070 9 HA SER 2 HA SER 2 14.471 -7.094 -16.606 10 HB2 SER 2 HB2 SER 2 14.948 -9.428 -15.919 11 HB3 SER 2 HB3 SER 2 15.580 -8.847 -14.364 12 HG SER 2 HG SER 2 13.555 -8.236 -13.759 13 HA PRO 3 HA PRO 3 14.697 -3.904 -13.508 14 HB2 PRO 3 HB2 PRO 3 12.074 -3.356 -13.037 15 HB3 PRO 3 HB3 PRO 3 12.856 -2.919 -14.591 16 HG2 PRO 3 HG2 PRO 3 11.186 -5.339 -13.927 17 HG3 PRO 3 HG3 PRO 3 11.019 -4.198 -15.301 18 HD2 PRO 3 HD2 PRO 3 12.313 -6.574 -15.539 19 HD3 PRO 3 HD3 PRO 3 12.855 -5.106 -16.425 20 H GLY 4 H GLY 4 14.376 -3.657 -11.208 21 HA2 GLY 4 HA2 GLY 4 13.798 -4.323 -9.058 22 HA3 GLY 4 HA3 GLY 4 12.868 -5.667 -9.731 23 H LYS 5 H LYS 5 14.201 -6.237 -7.507 24 HA LYS 5 HA LYS 5 16.328 -8.076 -8.508 25 HB2 LYS 5 HB2 LYS 5 16.705 -6.260 -6.089 26 HB3 LYS 5 HB3 LYS 5 17.812 -7.530 -6.613 27 HG2 LYS 5 HG2 LYS 5 18.068 -6.216 -8.789 28 HG3 LYS 5 HG3 LYS 5 17.210 -4.897 -7.965 29 HD2 LYS 5 HD2 LYS 5 18.975 -5.201 -6.097 30 HD3 LYS 5 HD3 LYS 5 19.891 -6.122 -7.300 31 HE2 LYS 5 HE2 LYS 5 19.798 -4.183 -8.837 32 HE3 LYS 5 HE3 LYS 5 18.868 -3.273 -7.624 33 HZ1 LYS 5 HZ1 LYS 5 21.232 -2.743 -7.564 34 HZ2 LYS 5 HZ2 LYS 5 20.745 -3.405 -6.136 35 HZ3 LYS 5 HZ3 LYS 5 21.608 -4.309 -7.213 36 HA PRO 6 HA PRO 6 14.043 -10.594 -5.666 37 HB2 PRO 6 HB2 PRO 6 15.835 -12.554 -4.991 38 HB3 PRO 6 HB3 PRO 6 15.104 -12.462 -6.627 39 HG2 PRO 6 HG2 PRO 6 17.764 -11.402 -5.687 40 HG3 PRO 6 HG3 PRO 6 17.407 -12.463 -7.090 41 HD2 PRO 6 HD2 PRO 6 17.696 -9.807 -7.400 42 HD3 PRO 6 HD3 PRO 6 16.433 -10.703 -8.314 43 HA PRO 7 HA PRO 7 15.155 -8.995 -1.755 44 HB2 PRO 7 HB2 PRO 7 14.426 -10.881 0.106 45 HB3 PRO 7 HB3 PRO 7 13.250 -9.884 -0.808 46 HG2 PRO 7 HG2 PRO 7 14.210 -12.673 -1.402 47 HG3 PRO 7 HG3 PRO 7 12.530 -12.052 -1.304 48 HD2 PRO 7 HD2 PRO 7 13.768 -12.329 -3.671 49 HD3 PRO 7 HD3 PRO 7 12.716 -10.906 -3.349 50 H ARG 8 H ARG 8 17.242 -8.670 -1.497 51 HA ARG 8 HA ARG 8 18.895 -10.707 -0.119 52 HB2 ARG 8 HB2 ARG 8 19.458 -9.482 -2.844 53 HB3 ARG 8 HB3 ARG 8 20.789 -9.886 -1.754 54 HG2 ARG 8 HG2 ARG 8 20.104 -12.208 -1.694 55 HG3 ARG 8 HG3 ARG 8 18.717 -11.849 -2.745 56 HD2 ARG 8 HD2 ARG 8 20.266 -11.108 -4.518 57 HD3 ARG 8 HD3 ARG 8 21.642 -11.521 -3.469 58 HE ARG 8 HE ARG 8 19.922 -13.780 -3.682 59 HH11 ARG 8 HH11 ARG 8 22.211 -11.985 -5.681 60 HH12 ARG 8 HH12 ARG 8 22.592 -13.377 -6.659 61 HH21 ARG 8 HH21 ARG 8 20.454 -15.510 -4.971 62 HH22 ARG 8 HH22 ARG 8 21.615 -15.338 -6.259 63 H LEU 9 H LEU 9 20.207 -9.654 1.348 64 HA LEU 9 HA LEU 9 19.930 -6.740 1.533 65 HB2 LEU 9 HB2 LEU 9 21.418 -8.628 3.357 66 HB3 LEU 9 HB3 LEU 9 20.965 -6.971 3.733 67 HG LEU 9 HG LEU 9 19.039 -9.303 3.432 68 HD11 LEU 9 HD11 LEU 9 18.828 -9.142 5.877 69 HD12 LEU 9 HD12 LEU 9 20.503 -9.492 5.401 70 HD13 LEU 9 HD13 LEU 9 20.049 -7.847 5.906 71 HD21 LEU 9 HD21 LEU 9 17.933 -7.196 2.870 72 HD22 LEU 9 HD22 LEU 9 17.379 -7.778 4.451 73 HD23 LEU 9 HD23 LEU 9 18.555 -6.448 4.362 74 H VAL 10 H VAL 10 20.950 -7.068 -0.678 75 HA VAL 10 HA VAL 10 23.573 -5.915 -0.072 76 HB VAL 10 HB VAL 10 23.539 -7.948 -2.270 77 HG11 VAL 10 HG11 VAL 10 25.793 -8.150 -1.419 78 HG12 VAL 10 HG12 VAL 10 25.295 -6.490 -1.819 79 HG13 VAL 10 HG13 VAL 10 25.298 -7.019 -0.111 80 HG21 VAL 10 HG21 VAL 10 23.784 -8.876 0.651 81 HG22 VAL 10 HG22 VAL 10 22.522 -9.378 -0.506 82 HG23 VAL 10 HG23 VAL 10 24.209 -9.839 -0.778 83 H GLY 11 H GLY 11 24.095 -4.340 -1.585 84 HA2 GLY 11 HA2 GLY 11 24.163 -3.340 -3.668 85 HA3 GLY 11 HA3 GLY 11 23.067 -4.563 -4.289 86 H GLY 12 H GLY 12 22.036 -2.609 -1.512 87 HA2 GLY 12 HA2 GLY 12 20.755 -0.666 -1.508 88 HA3 GLY 12 HA3 GLY 12 20.858 -0.598 -3.259 89 HA PRO 13 HA PRO 13 16.587 -1.610 -2.583 90 HB2 PRO 13 HB2 PRO 13 15.593 -1.503 -5.108 91 HB3 PRO 13 HB3 PRO 13 16.058 -0.033 -4.191 92 HG2 PRO 13 HG2 PRO 13 17.661 -1.577 -6.217 93 HG3 PRO 13 HG3 PRO 13 17.316 0.183 -6.156 94 HD2 PRO 13 HD2 PRO 13 19.629 -0.837 -5.204 95 HD3 PRO 13 HD3 PRO 13 18.803 0.530 -4.379 96 H MET 14 H MET 14 15.393 -3.373 -2.411 97 HA MET 14 HA MET 14 15.802 -5.640 -4.292 98 HB2 MET 14 HB2 MET 14 15.959 -7.230 -2.540 99 HB3 MET 14 HB3 MET 14 17.141 -5.990 -2.132 100 HG2 MET 14 HG2 MET 14 15.535 -5.021 -0.492 101 HG3 MET 14 HG3 MET 14 14.354 -6.266 -0.930 102 HE1 MET 14 HE1 MET 14 14.685 -6.178 2.019 103 HE2 MET 14 HE2 MET 14 13.918 -7.570 1.213 104 HE3 MET 14 HE3 MET 14 15.155 -7.834 2.465 105 H ASP 15 H ASP 15 13.809 -6.829 -4.573 106 HA ASP 15 HA ASP 15 11.447 -5.289 -3.642 107 HB2 ASP 15 HB2 ASP 15 11.751 -7.507 -5.698 108 HB3 ASP 15 HB3 ASP 15 10.217 -6.744 -5.260 109 H ALA 16 H ALA 16 9.854 -6.198 -2.362 110 HA ALA 16 HA ALA 16 10.408 -8.933 -1.239 111 HB1 ALA 16 HB1 ALA 16 9.439 -8.036 0.892 112 HB2 ALA 16 HB2 ALA 16 11.023 -7.374 0.446 113 HB3 ALA 16 HB3 ALA 16 9.544 -6.416 0.182 114 H SER 17 H SER 17 8.500 -9.989 -0.341 115 HA SER 17 HA SER 17 6.184 -9.676 -2.128 116 HB2 SER 17 HB2 SER 17 6.940 -11.916 -1.308 117 HB3 SER 17 HB3 SER 17 6.585 -11.401 0.351 118 HG SER 17 HG SER 17 4.867 -12.588 -0.527 119 H VAL 18 H VAL 18 4.004 -9.299 -1.217 120 HA VAL 18 HA VAL 18 3.967 -6.985 0.463 121 HB VAL 18 HB VAL 18 1.528 -7.137 0.309 122 HG11 VAL 18 HG11 VAL 18 1.254 -7.099 -2.076 123 HG12 VAL 18 HG12 VAL 18 2.892 -6.501 -1.733 124 HG13 VAL 18 HG13 VAL 18 2.656 -8.160 -2.327 125 HG21 VAL 18 HG21 VAL 18 1.150 -9.505 0.783 126 HG22 VAL 18 HG22 VAL 18 0.437 -9.128 -0.795 127 HG23 VAL 18 HG23 VAL 18 1.992 -9.989 -0.710 128 H GLU 19 H GLU 19 4.021 -10.345 1.141 129 HA GLU 19 HA GLU 19 2.869 -10.014 3.810 130 HB2 GLU 19 HB2 GLU 19 3.920 -12.326 2.197 131 HB3 GLU 19 HB3 GLU 19 3.659 -12.483 3.945 132 HG2 GLU 19 HG2 GLU 19 1.595 -11.729 1.873 133 HG3 GLU 19 HG3 GLU 19 1.696 -13.256 2.766 134 H GLU 20 H GLU 20 5.952 -9.469 2.423 135 HA GLU 20 HA GLU 20 7.326 -10.240 4.772 136 HB2 GLU 20 HB2 GLU 20 8.165 -8.604 2.502 137 HB3 GLU 20 HB3 GLU 20 8.978 -8.302 4.045 138 HG2 GLU 20 HG2 GLU 20 10.214 -9.949 3.255 139 HG3 GLU 20 HG3 GLU 20 9.011 -10.793 4.262 140 H GLU 21 H GLU 21 8.202 -9.451 6.321 141 HA GLU 21 HA GLU 21 6.517 -8.074 7.810 142 HB2 GLU 21 HB2 GLU 21 8.801 -7.590 9.207 143 HB3 GLU 21 HB3 GLU 21 7.901 -9.110 9.237 144 HG2 GLU 21 HG2 GLU 21 10.197 -9.643 8.868 145 HG3 GLU 21 HG3 GLU 21 9.321 -9.955 7.367 146 H GLY 22 H GLY 22 9.368 -6.829 6.185 147 HA2 GLY 22 HA2 GLY 22 9.123 -4.136 7.173 148 HA3 GLY 22 HA3 GLY 22 10.107 -4.676 5.806 149 H VAL 23 H VAL 23 7.527 -5.868 4.511 150 HA VAL 23 HA VAL 23 6.749 -3.341 3.268 151 HB VAL 23 HB VAL 23 5.799 -6.225 2.833 152 HG11 VAL 23 HG11 VAL 23 4.058 -4.833 2.100 153 HG12 VAL 23 HG12 VAL 23 5.181 -3.670 1.354 154 HG13 VAL 23 HG13 VAL 23 4.955 -5.287 0.654 155 HG21 VAL 23 HG21 VAL 23 8.106 -5.998 2.199 156 HG22 VAL 23 HG22 VAL 23 7.131 -6.060 0.730 157 HG23 VAL 23 HG23 VAL 23 7.763 -4.495 1.297 158 H ARG 24 H ARG 24 5.160 -5.992 5.122 159 HA ARG 24 HA ARG 24 2.566 -4.979 5.158 160 HB2 ARG 24 HB2 ARG 24 4.070 -6.404 7.384 161 HB3 ARG 24 HB3 ARG 24 2.317 -6.177 7.325 162 HG2 ARG 24 HG2 ARG 24 2.158 -7.554 5.314 163 HG3 ARG 24 HG3 ARG 24 3.917 -7.715 5.233 164 HD2 ARG 24 HD2 ARG 24 2.866 -9.738 6.168 165 HD3 ARG 24 HD3 ARG 24 3.977 -8.956 7.330 166 HE ARG 24 HE ARG 24 2.144 -8.396 8.684 167 HH11 ARG 24 HH11 ARG 24 0.864 -9.727 5.650 168 HH12 ARG 24 HH12 ARG 24 -0.758 -9.744 6.260 169 HH21 ARG 24 HH21 ARG 24 0.037 -8.476 9.365 170 HH22 ARG 24 HH22 ARG 24 -1.210 -9.088 8.316 171 H ARG 25 H ARG 25 5.155 -4.193 7.530 172 HA ARG 25 HA ARG 25 3.497 -2.467 9.100 173 HB2 ARG 25 HB2 ARG 25 5.612 -1.479 9.904 174 HB3 ARG 25 HB3 ARG 25 5.623 -3.248 9.957 175 HG2 ARG 25 HG2 ARG 25 7.466 -3.348 8.668 176 HG3 ARG 25 HG3 ARG 25 6.744 -2.334 7.415 177 HD2 ARG 25 HD2 ARG 25 8.694 -1.210 8.165 178 HD3 ARG 25 HD3 ARG 25 7.319 -0.337 8.877 179 HE ARG 25 HE ARG 25 8.127 -2.343 10.709 180 HH11 ARG 25 HH11 ARG 25 9.448 0.666 9.412 181 HH12 ARG 25 HH12 ARG 25 10.426 0.947 10.827 182 HH21 ARG 25 HH21 ARG 25 9.390 -1.903 12.480 183 HH22 ARG 25 HH22 ARG 25 10.379 -0.470 12.535 184 H ALA 26 H ALA 26 5.134 -1.859 6.063 185 HA ALA 26 HA ALA 26 5.013 1.026 6.358 186 HB1 ALA 26 HB1 ALA 26 6.134 1.001 4.212 187 HB2 ALA 26 HB2 ALA 26 6.935 -0.162 5.278 188 HB3 ALA 26 HB3 ALA 26 5.823 -0.731 4.009 189 H LEU 27 H LEU 27 3.294 -1.688 4.959 190 HA LEU 27 HA LEU 27 1.681 -0.219 3.082 191 HB2 LEU 27 HB2 LEU 27 1.006 -2.758 4.646 192 HB3 LEU 27 HB3 LEU 27 0.078 -2.101 3.311 193 HG LEU 27 HG LEU 27 2.691 -3.555 3.265 194 HD11 LEU 27 HD11 LEU 27 0.569 -4.776 3.024 195 HD12 LEU 27 HD12 LEU 27 0.145 -3.763 1.625 196 HD13 LEU 27 HD13 LEU 27 1.547 -4.858 1.546 197 HD21 LEU 27 HD21 LEU 27 2.859 -2.934 0.828 198 HD22 LEU 27 HD22 LEU 27 1.681 -1.640 1.146 199 HD23 LEU 27 HD23 LEU 27 3.258 -1.647 1.969 200 H ASP 28 H ASP 28 0.964 -1.433 6.391 201 HA ASP 28 HA ASP 28 -1.588 -0.096 6.464 202 HB2 ASP 28 HB2 ASP 28 0.247 -1.117 8.692 203 HB3 ASP 28 HB3 ASP 28 -1.412 -0.549 8.945 204 H PHE 29 H PHE 29 1.710 0.776 7.476 205 HA PHE 29 HA PHE 29 1.017 3.182 8.848 206 HB2 PHE 29 HB2 PHE 29 3.253 2.158 8.938 207 HB3 PHE 29 HB3 PHE 29 3.471 2.454 7.212 208 HD1 PHE 29 HD1 PHE 29 3.434 3.976 10.569 209 HD2 PHE 29 HD2 PHE 29 3.877 4.743 6.363 210 HE1 PHE 29 HE1 PHE 29 4.409 6.213 11.079 211 HE2 PHE 29 HE2 PHE 29 4.852 6.975 6.862 212 HZ PHE 29 HZ PHE 29 5.119 7.714 9.222 213 H ALA 30 H ALA 30 1.868 2.533 5.382 214 HA ALA 30 HA ALA 30 1.692 5.256 4.579 215 HB1 ALA 30 HB1 ALA 30 1.289 4.387 2.317 216 HB2 ALA 30 HB2 ALA 30 2.565 3.465 3.144 217 HB3 ALA 30 HB3 ALA 30 0.921 2.785 2.991 218 H VAL 31 H VAL 31 -0.997 2.871 4.672 219 HA VAL 31 HA VAL 31 -2.924 4.599 3.350 220 HB VAL 31 HB VAL 31 -3.927 2.745 5.440 221 HG11 VAL 31 HG11 VAL 31 -5.325 1.854 3.756 222 HG12 VAL 31 HG12 VAL 31 -5.417 3.624 3.884 223 HG13 VAL 31 HG13 VAL 31 -4.503 2.874 2.545 224 HG21 VAL 31 HG21 VAL 31 -2.168 1.669 3.385 225 HG22 VAL 31 HG22 VAL 31 -2.051 1.679 5.179 226 HG23 VAL 31 HG23 VAL 31 -3.326 0.727 4.371 227 H GLY 32 H GLY 32 -1.951 3.682 6.643 228 HA2 GLY 32 HA2 GLY 32 -4.118 4.931 7.978 229 HA3 GLY 32 HA3 GLY 32 -2.548 4.521 8.692 230 H GLU 33 H GLU 33 -1.003 5.988 6.767 231 HA GLU 33 HA GLU 33 -1.322 8.599 8.209 232 HB2 GLU 33 HB2 GLU 33 0.840 7.454 8.103 233 HB3 GLU 33 HB3 GLU 33 0.884 7.671 6.350 234 HG2 GLU 33 HG2 GLU 33 1.273 9.937 6.513 235 HG3 GLU 33 HG3 GLU 33 0.513 10.058 8.107 236 H TYR 34 H TYR 34 -1.831 7.259 5.086 237 HA TYR 34 HA TYR 34 -1.964 9.910 3.978 238 HB2 TYR 34 HB2 TYR 34 -0.921 8.192 2.598 239 HB3 TYR 34 HB3 TYR 34 -2.480 7.351 2.479 240 HD1 TYR 34 HD1 TYR 34 -0.693 10.537 1.662 241 HD2 TYR 34 HD2 TYR 34 -4.185 8.135 0.945 242 HE1 TYR 34 HE1 TYR 34 -1.372 12.063 -0.196 243 HE2 TYR 34 HE2 TYR 34 -4.870 9.671 -0.885 244 HH TYR 34 HH TYR 34 -4.409 11.610 -2.010 245 H ASN 35 H ASN 35 -4.100 7.180 4.052 246 HA ASN 35 HA ASN 35 -6.360 8.728 3.040 247 HB2 ASN 35 HB2 ASN 35 -5.757 5.829 3.694 248 HB3 ASN 35 HB3 ASN 35 -7.432 6.355 3.412 249 HD21 ASN 35 HD21 ASN 35 -5.296 4.680 1.921 250 HD22 ASN 35 HD22 ASN 35 -5.421 5.285 0.286 251 H LYS 36 H LYS 36 -5.668 6.725 5.918 252 HA LYS 36 HA LYS 36 -8.145 7.446 7.241 253 HB2 LYS 36 HB2 LYS 36 -7.039 5.383 7.796 254 HB3 LYS 36 HB3 LYS 36 -5.532 6.230 8.103 255 HG2 LYS 36 HG2 LYS 36 -7.771 7.021 9.860 256 HG3 LYS 36 HG3 LYS 36 -7.163 5.368 10.066 257 HD2 LYS 36 HD2 LYS 36 -5.017 6.063 10.661 258 HD3 LYS 36 HD3 LYS 36 -5.165 7.611 9.829 259 HE2 LYS 36 HE2 LYS 36 -6.860 6.996 12.262 260 HE3 LYS 36 HE3 LYS 36 -5.204 7.622 12.419 261 HZ1 LYS 36 HZ1 LYS 36 -5.808 9.570 11.221 262 HZ2 LYS 36 HZ2 LYS 36 -7.278 8.977 10.779 263 HZ3 LYS 36 HZ3 LYS 36 -6.981 9.366 12.360 264 H ALA 37 H ALA 37 -4.897 8.823 7.115 265 HA ALA 37 HA ALA 37 -5.242 10.471 9.451 266 HB1 ALA 37 HB1 ALA 37 -3.226 11.454 8.881 267 HB2 ALA 37 HB2 ALA 37 -3.079 9.762 8.338 268 HB3 ALA 37 HB3 ALA 37 -3.436 11.055 7.167 269 H SER 38 H SER 38 -5.894 10.713 5.994 270 HA SER 38 HA SER 38 -6.602 13.541 6.039 271 HB2 SER 38 HB2 SER 38 -5.838 12.383 3.985 272 HB3 SER 38 HB3 SER 38 -7.284 11.353 4.035 273 HG SER 38 HG SER 38 -7.574 13.121 2.641 274 H ASN 39 H ASN 39 -8.728 14.403 5.781 275 HA ASN 39 HA ASN 39 -10.784 12.835 7.229 276 HB2 ASN 39 HB2 ASN 39 -10.086 15.321 7.637 277 HB3 ASN 39 HB3 ASN 39 -11.115 15.659 6.239 278 HD21 ASN 39 HD21 ASN 39 -13.340 14.417 6.435 279 HD22 ASN 39 HD22 ASN 39 -14.117 14.585 7.999 280 H ASP 40 H ASP 40 -10.370 11.617 4.935 281 HA ASP 40 HA ASP 40 -11.848 12.644 2.688 282 HB2 ASP 40 HB2 ASP 40 -10.104 10.754 2.706 283 HB3 ASP 40 HB3 ASP 40 -11.404 9.702 3.286 284 H MET 41 H MET 41 -13.968 12.639 2.296 285 HA MET 41 HA MET 41 -15.825 11.967 4.422 286 HB2 MET 41 HB2 MET 41 -16.352 12.761 1.533 287 HB3 MET 41 HB3 MET 41 -17.530 12.786 2.853 288 HG2 MET 41 HG2 MET 41 -15.021 14.493 2.666 289 HG3 MET 41 HG3 MET 41 -16.674 15.041 2.350 290 HE1 MET 41 HE1 MET 41 -15.433 16.668 5.826 291 HE2 MET 41 HE2 MET 41 -14.338 16.137 4.527 292 HE3 MET 41 HE3 MET 41 -15.833 17.022 4.128 293 H TYR 42 H TYR 42 -14.362 10.227 1.911 294 HA TYR 42 HA TYR 42 -16.510 8.132 1.988 295 HB2 TYR 42 HB2 TYR 42 -14.491 8.652 -0.192 296 HB3 TYR 42 HB3 TYR 42 -15.859 7.535 -0.256 297 HD1 TYR 42 HD1 TYR 42 -14.708 10.931 -0.850 298 HD2 TYR 42 HD2 TYR 42 -18.240 8.549 -0.228 299 HE1 TYR 42 HE1 TYR 42 -16.109 12.750 -1.819 300 HE2 TYR 42 HE2 TYR 42 -19.636 10.383 -1.194 301 HH TYR 42 HH TYR 42 -18.213 13.439 -2.372 302 H HIS 43 H HIS 43 -15.507 5.899 1.604 303 HA HIS 43 HA HIS 43 -13.119 5.745 3.343 304 HB2 HIS 43 HB2 HIS 43 -15.257 3.876 2.447 305 HB3 HIS 43 HB3 HIS 43 -13.667 3.175 2.763 306 HD1 HIS 43 HD1 HIS 43 -15.599 5.857 4.729 307 HD2 HIS 43 HD2 HIS 43 -13.783 2.153 5.236 308 HE1 HIS 43 HE1 HIS 43 -15.759 5.308 7.185 309 H SER 44 H SER 44 -11.223 5.979 2.436 310 HA SER 44 HA SER 44 -10.719 4.704 -0.224 311 HB2 SER 44 HB2 SER 44 -9.286 6.966 1.240 312 HB3 SER 44 HB3 SER 44 -8.733 6.231 -0.282 313 HG SER 44 HG SER 44 -10.448 8.211 0.013 314 H ARG 45 H ARG 45 -9.106 3.167 -0.335 315 HA ARG 45 HA ARG 45 -7.407 2.739 2.058 316 HB2 ARG 45 HB2 ARG 45 -7.937 0.418 2.266 317 HB3 ARG 45 HB3 ARG 45 -9.472 1.289 2.318 318 HG2 ARG 45 HG2 ARG 45 -9.999 0.593 0.022 319 HG3 ARG 45 HG3 ARG 45 -8.378 -0.091 -0.177 320 HD2 ARG 45 HD2 ARG 45 -8.910 -1.616 1.802 321 HD3 ARG 45 HD3 ARG 45 -10.599 -1.121 1.611 322 HE ARG 45 HE ARG 45 -8.986 -2.832 -0.187 323 HH11 ARG 45 HH11 ARG 45 -12.071 -1.158 0.242 324 HH12 ARG 45 HH12 ARG 45 -12.866 -2.116 -0.994 325 HH21 ARG 45 HH21 ARG 45 -10.080 -4.002 -1.746 326 HH22 ARG 45 HH22 ARG 45 -11.761 -3.667 -2.081 327 H ALA 46 H ALA 46 -5.640 1.157 1.546 328 HA ALA 46 HA ALA 46 -4.694 1.414 -1.216 329 HB1 ALA 46 HB1 ALA 46 -3.689 -0.337 1.143 330 HB2 ALA 46 HB2 ALA 46 -2.831 -0.112 -0.411 331 HB3 ALA 46 HB3 ALA 46 -3.028 1.258 0.711 332 H LEU 47 H LEU 47 -6.110 0.400 -2.616 333 HA LEU 47 HA LEU 47 -7.867 -1.735 -1.854 334 HB2 LEU 47 HB2 LEU 47 -6.807 -0.798 -4.531 335 HB3 LEU 47 HB3 LEU 47 -7.926 -2.116 -4.377 336 HG LEU 47 HG LEU 47 -8.523 0.764 -3.771 337 HD11 LEU 47 HD11 LEU 47 -8.073 0.331 -6.097 338 HD12 LEU 47 HD12 LEU 47 -8.985 -1.188 -6.074 339 HD13 LEU 47 HD13 LEU 47 -9.831 0.368 -5.930 340 HD21 LEU 47 HD21 LEU 47 -9.956 -0.672 -2.421 341 HD22 LEU 47 HD22 LEU 47 -10.882 -0.008 -3.775 342 HD23 LEU 47 HD23 LEU 47 -10.315 -1.694 -3.835 343 H GLN 48 H GLN 48 -4.824 -1.586 -3.611 344 HA GLN 48 HA GLN 48 -4.278 -4.436 -3.150 345 HB2 GLN 48 HB2 GLN 48 -5.888 -4.241 -5.119 346 HB3 GLN 48 HB3 GLN 48 -4.690 -3.245 -5.937 347 HG2 GLN 48 HG2 GLN 48 -3.081 -5.148 -5.848 348 HG3 GLN 48 HG3 GLN 48 -4.346 -6.147 -5.114 349 HE21 GLN 48 HE21 GLN 48 -2.801 -5.679 -7.887 350 HE22 GLN 48 HE22 GLN 48 -4.074 -6.018 -9.035 351 H VAL 49 H VAL 49 -2.036 -4.601 -2.927 352 HA VAL 49 HA VAL 49 -0.443 -2.287 -3.725 353 HB VAL 49 HB VAL 49 0.157 -4.746 -2.104 354 HG11 VAL 49 HG11 VAL 49 2.606 -4.282 -2.246 355 HG12 VAL 49 HG12 VAL 49 1.943 -4.895 -3.773 356 HG13 VAL 49 HG13 VAL 49 2.295 -3.157 -3.579 357 HG21 VAL 49 HG21 VAL 49 1.256 -3.088 -0.648 358 HG22 VAL 49 HG22 VAL 49 1.070 -1.779 -1.860 359 HG23 VAL 49 HG23 VAL 49 -0.359 -2.500 -1.058 360 H VAL 50 H VAL 50 0.681 -2.037 -5.469 361 HA VAL 50 HA VAL 50 0.491 -4.123 -7.562 362 HB VAL 50 HB VAL 50 1.570 -1.257 -7.716 363 HG11 VAL 50 HG11 VAL 50 2.345 -2.705 -9.555 364 HG12 VAL 50 HG12 VAL 50 0.671 -3.193 -9.898 365 HG13 VAL 50 HG13 VAL 50 1.185 -1.507 -10.152 366 HG21 VAL 50 HG21 VAL 50 -0.765 -1.164 -7.065 367 HG22 VAL 50 HG22 VAL 50 -0.622 -0.715 -8.773 368 HG23 VAL 50 HG23 VAL 50 -1.204 -2.336 -8.328 369 H ARG 51 H ARG 51 2.866 -2.159 -5.715 370 HA ARG 51 HA ARG 51 4.969 -4.193 -6.325 371 HB2 ARG 51 HB2 ARG 51 5.455 -1.212 -6.520 372 HB3 ARG 51 HB3 ARG 51 6.611 -2.490 -6.840 373 HG2 ARG 51 HG2 ARG 51 4.144 -1.925 -8.530 374 HG3 ARG 51 HG3 ARG 51 5.771 -1.349 -8.894 375 HD2 ARG 51 HD2 ARG 51 6.579 -3.658 -9.070 376 HD3 ARG 51 HD3 ARG 51 4.975 -4.262 -8.655 377 HE ARG 51 HE ARG 51 5.625 -2.768 -11.155 378 HH11 ARG 51 HH11 ARG 51 3.603 -5.150 -9.471 379 HH12 ARG 51 HH12 ARG 51 2.784 -5.602 -10.946 380 HH21 ARG 51 HH21 ARG 51 4.489 -3.378 -12.960 381 HH22 ARG 51 HH22 ARG 51 3.256 -4.604 -12.862 382 H ALA 52 H ALA 52 6.595 -4.320 -4.745 383 HA ALA 52 HA ALA 52 6.457 -2.553 -2.377 384 HB1 ALA 52 HB1 ALA 52 5.978 -5.557 -2.325 385 HB2 ALA 52 HB2 ALA 52 6.356 -4.554 -0.910 386 HB3 ALA 52 HB3 ALA 52 4.849 -4.278 -1.803 387 H ARG 53 H ARG 53 8.480 -1.933 -2.151 388 HA ARG 53 HA ARG 53 10.571 -4.004 -2.133 389 HB2 ARG 53 HB2 ARG 53 11.983 -2.853 -3.764 390 HB3 ARG 53 HB3 ARG 53 10.508 -3.463 -4.497 391 HG2 ARG 53 HG2 ARG 53 10.552 -0.702 -3.537 392 HG3 ARG 53 HG3 ARG 53 11.499 -1.080 -4.970 393 HD2 ARG 53 HD2 ARG 53 8.539 -1.653 -4.642 394 HD3 ARG 53 HD3 ARG 53 9.222 -0.254 -5.486 395 HE ARG 53 HE ARG 53 9.989 -3.024 -6.327 396 HH11 ARG 53 HH11 ARG 53 8.340 0.020 -7.170 397 HH12 ARG 53 HH12 ARG 53 8.278 -0.402 -8.855 398 HH21 ARG 53 HH21 ARG 53 9.848 -3.486 -8.408 399 HH22 ARG 53 HH22 ARG 53 9.120 -2.380 -9.560 400 H LYS 54 H LYS 54 12.679 -3.017 -1.596 401 HA LYS 54 HA LYS 54 12.455 -0.488 -0.107 402 HB2 LYS 54 HB2 LYS 54 13.213 -1.541 2.029 403 HB3 LYS 54 HB3 LYS 54 11.592 -2.029 1.546 404 HG2 LYS 54 HG2 LYS 54 13.872 -3.825 0.747 405 HG3 LYS 54 HG3 LYS 54 13.408 -3.797 2.450 406 HD2 LYS 54 HD2 LYS 54 11.451 -4.338 0.195 407 HD3 LYS 54 HD3 LYS 54 12.361 -5.604 1.005 408 HE2 LYS 54 HE2 LYS 54 10.789 -3.732 2.736 409 HE3 LYS 54 HE3 LYS 54 9.889 -4.872 1.723 410 HZ1 LYS 54 HZ1 LYS 54 12.010 -5.659 3.677 411 HZ2 LYS 54 HZ2 LYS 54 10.390 -5.840 3.914 412 HZ3 LYS 54 HZ3 LYS 54 11.147 -6.702 2.736 413 H GLN 55 H GLN 55 14.465 0.372 0.535 414 HA GLN 55 HA GLN 55 16.783 -0.727 -0.978 415 HB2 GLN 55 HB2 GLN 55 16.149 1.615 -1.364 416 HB3 GLN 55 HB3 GLN 55 16.270 1.939 0.363 417 HG2 GLN 55 HG2 GLN 55 18.687 1.430 0.288 418 HG3 GLN 55 HG3 GLN 55 18.559 1.197 -1.466 419 HE21 GLN 55 HE21 GLN 55 19.140 3.398 1.022 420 HE22 GLN 55 HE22 GLN 55 19.001 4.865 0.071 421 H ILE 56 H ILE 56 18.428 -1.702 0.031 422 HA ILE 56 HA ILE 56 18.518 -1.558 3.016 423 HB ILE 56 HB ILE 56 19.850 -3.539 1.105 424 HG12 ILE 56 HG12 ILE 56 17.441 -3.808 0.938 425 HG13 ILE 56 HG13 ILE 56 18.146 -5.160 1.807 426 HG21 ILE 56 HG21 ILE 56 19.578 -3.503 4.152 427 HG22 ILE 56 HG22 ILE 56 20.145 -4.901 3.216 428 HG23 ILE 56 HG23 ILE 56 21.077 -3.397 3.200 429 HD11 ILE 56 HD11 ILE 56 16.605 -2.836 3.079 430 HD12 ILE 56 HD12 ILE 56 16.025 -4.496 2.854 431 HD13 ILE 56 HD13 ILE 56 17.354 -4.175 3.982 432 H GLY 57 H GLY 57 20.208 -0.494 3.961 433 HA2 GLY 57 HA2 GLY 57 22.855 -0.442 3.187 434 HA3 GLY 57 HA3 GLY 57 22.111 0.893 2.276 435 H ALA 58 H ALA 58 23.640 2.186 3.680 436 HA ALA 58 HA ALA 58 23.204 2.433 6.500 437 HB1 ALA 58 HB1 ALA 58 25.251 3.248 5.367 438 HB2 ALA 58 HB2 ALA 58 24.290 4.473 4.498 439 HB3 ALA 58 HB3 ALA 58 24.451 4.557 6.267 440 H GLY 59 H GLY 59 21.446 3.532 3.738 441 HA2 GLY 59 HA2 GLY 59 19.548 4.978 5.534 442 HA3 GLY 59 HA3 GLY 59 19.917 5.532 3.876 443 H VAL 60 H VAL 60 17.452 4.198 5.323 444 HA VAL 60 HA VAL 60 17.112 1.965 3.359 445 HB VAL 60 HB VAL 60 16.014 2.327 6.184 446 HG11 VAL 60 HG11 VAL 60 14.842 0.154 5.868 447 HG12 VAL 60 HG12 VAL 60 14.213 1.395 4.771 448 HG13 VAL 60 HG13 VAL 60 15.322 0.145 4.159 449 HG21 VAL 60 HG21 VAL 60 18.327 1.441 6.048 450 HG22 VAL 60 HG22 VAL 60 17.196 0.215 6.653 451 HG23 VAL 60 HG23 VAL 60 17.764 0.148 4.968 452 H ASN 61 H ASN 61 15.376 2.121 2.008 453 HA ASN 61 HA ASN 61 13.386 4.252 2.592 454 HB2 ASN 61 HB2 ASN 61 15.330 4.976 1.026 455 HB3 ASN 61 HB3 ASN 61 14.578 3.912 -0.170 456 HD21 ASN 61 HD21 ASN 61 14.755 6.388 -0.942 457 HD22 ASN 61 HD22 ASN 61 13.241 7.244 -0.796 458 H TYR 62 H TYR 62 11.382 3.441 2.432 459 HA TYR 62 HA TYR 62 11.040 0.820 1.055 460 HB2 TYR 62 HB2 TYR 62 9.239 2.451 2.890 461 HB3 TYR 62 HB3 TYR 62 8.776 0.924 2.136 462 HD1 TYR 62 HD1 TYR 62 9.862 -1.215 2.827 463 HD2 TYR 62 HD2 TYR 62 10.674 2.491 4.859 464 HE1 TYR 62 HE1 TYR 62 10.812 -2.474 4.766 465 HE2 TYR 62 HE2 TYR 62 11.598 1.209 6.796 466 HH TYR 62 HH TYR 62 11.736 -2.340 6.864 467 H PHE 63 H PHE 63 9.897 0.648 -0.843 468 HA PHE 63 HA PHE 63 8.459 3.120 -1.776 469 HB2 PHE 63 HB2 PHE 63 9.918 1.083 -3.466 470 HB3 PHE 63 HB3 PHE 63 9.112 2.529 -4.053 471 HD1 PHE 63 HD1 PHE 63 12.106 1.110 -2.471 472 HD2 PHE 63 HD2 PHE 63 10.168 4.760 -3.675 473 HE1 PHE 63 HE1 PHE 63 14.272 2.311 -2.287 474 HE2 PHE 63 HE2 PHE 63 12.340 5.969 -3.500 475 HZ PHE 63 HZ PHE 63 14.401 4.739 -2.820 476 H LEU 64 H LEU 64 6.333 2.685 -1.723 477 HA LEU 64 HA LEU 64 5.434 -0.117 -2.364 478 HB2 LEU 64 HB2 LEU 64 4.150 1.918 -0.509 479 HB3 LEU 64 HB3 LEU 64 3.515 0.336 -0.900 480 HG LEU 64 HG LEU 64 4.270 0.074 1.229 481 HD11 LEU 64 HD11 LEU 64 6.781 -0.754 -0.265 482 HD12 LEU 64 HD12 LEU 64 6.149 -1.421 1.253 483 HD13 LEU 64 HD13 LEU 64 5.263 -1.683 -0.264 484 HD21 LEU 64 HD21 LEU 64 6.742 1.702 0.559 485 HD22 LEU 64 HD22 LEU 64 5.354 2.206 1.545 486 HD23 LEU 64 HD23 LEU 64 6.430 0.917 2.107 487 H ASP 65 H ASP 65 4.026 -0.265 -3.988 488 HA ASP 65 HA ASP 65 2.580 2.255 -4.818 489 HB2 ASP 65 HB2 ASP 65 3.583 -0.054 -6.594 490 HB3 ASP 65 HB3 ASP 65 2.622 1.317 -7.150 491 H VAL 66 H VAL 66 0.773 2.249 -5.118 492 HA VAL 66 HA VAL 66 -0.879 -0.069 -4.650 493 HB VAL 66 HB VAL 66 -0.004 1.548 -2.488 494 HG11 VAL 66 HG11 VAL 66 -2.020 2.850 -3.025 495 HG12 VAL 66 HG12 VAL 66 -2.981 1.342 -2.915 496 HG13 VAL 66 HG13 VAL 66 -2.118 1.992 -1.486 497 HG21 VAL 66 HG21 VAL 66 -0.225 -0.716 -2.752 498 HG22 VAL 66 HG22 VAL 66 -0.919 -0.073 -1.282 499 HG23 VAL 66 HG23 VAL 66 -1.976 -0.592 -2.635 500 H GLU 67 H GLU 67 -2.800 -0.155 -5.116 501 HA GLU 67 HA GLU 67 -3.789 1.917 -6.978 502 HB2 GLU 67 HB2 GLU 67 -3.737 -0.588 -7.447 503 HB3 GLU 67 HB3 GLU 67 -4.981 -0.774 -6.207 504 HG2 GLU 67 HG2 GLU 67 -6.456 0.721 -7.527 505 HG3 GLU 67 HG3 GLU 67 -5.202 0.813 -8.774 506 H LEU 68 H LEU 68 -5.496 3.245 -6.494 507 HA LEU 68 HA LEU 68 -6.933 2.721 -3.921 508 HB2 LEU 68 HB2 LEU 68 -6.021 5.278 -5.127 509 HB3 LEU 68 HB3 LEU 68 -7.576 5.272 -4.297 510 HG LEU 68 HG LEU 68 -6.512 4.440 -2.248 511 HD11 LEU 68 HD11 LEU 68 -3.967 4.758 -2.099 512 HD12 LEU 68 HD12 LEU 68 -4.615 3.265 -2.803 513 HD13 LEU 68 HD13 LEU 68 -3.992 4.536 -3.864 514 HD21 LEU 68 HD21 LEU 68 -5.303 6.594 -1.736 515 HD22 LEU 68 HD22 LEU 68 -5.476 7.012 -3.456 516 HD23 LEU 68 HD23 LEU 68 -6.916 6.769 -2.450 517 H GLY 69 H GLY 69 -9.043 3.291 -3.677 518 HA2 GLY 69 HA2 GLY 69 -10.780 3.875 -5.888 519 HA3 GLY 69 HA3 GLY 69 -10.779 2.134 -5.470 520 H ARG 70 H ARG 70 -12.647 4.698 -4.934 521 HA ARG 70 HA ARG 70 -12.748 4.508 -1.978 522 HB2 ARG 70 HB2 ARG 70 -14.100 6.246 -4.047 523 HB3 ARG 70 HB3 ARG 70 -14.678 6.175 -2.372 524 HG2 ARG 70 HG2 ARG 70 -12.513 6.835 -1.546 525 HG3 ARG 70 HG3 ARG 70 -11.853 6.876 -3.191 526 HD2 ARG 70 HD2 ARG 70 -13.412 8.667 -3.778 527 HD3 ARG 70 HD3 ARG 70 -14.132 8.576 -2.162 528 HE ARG 70 HE ARG 70 -12.203 9.573 -1.212 529 HH11 ARG 70 HH11 ARG 70 -11.751 9.153 -4.715 530 HH12 ARG 70 HH12 ARG 70 -10.411 10.305 -4.725 531 HH21 ARG 70 HH21 ARG 70 -10.475 10.914 -1.354 532 HH22 ARG 70 HH22 ARG 70 -9.712 11.249 -2.910 533 H THR 71 H THR 71 -14.368 3.707 -0.787 534 HA THR 71 HA THR 71 -16.356 2.040 -2.282 535 HB THR 71 HB THR 71 -16.370 0.573 -0.270 536 HG1 THR 71 HG1 THR 71 -15.718 1.854 1.400 537 HG21 THR 71 HG21 THR 71 -14.277 -0.475 -0.597 538 HG22 THR 71 HG22 THR 71 -14.734 0.218 -2.164 539 HG23 THR 71 HG23 THR 71 -13.514 1.034 -1.153 540 H THR 72 H THR 72 -18.442 1.829 -1.467 541 HA THR 72 HA THR 72 -19.393 4.078 0.233 542 HB THR 72 HB THR 72 -21.657 3.120 -0.374 543 HG1 THR 72 HG1 THR 72 -21.660 1.472 -1.955 544 HG21 THR 72 HG21 THR 72 -21.633 3.809 -2.713 545 HG22 THR 72 HG22 THR 72 -20.567 4.888 -1.788 546 HG23 THR 72 HG23 THR 72 -19.871 3.599 -2.799 547 H CYS 73 H CYS 73 -18.027 1.140 0.590 548 HA CYS 73 HA CYS 73 -19.707 0.254 2.851 549 HB2 CYS 73 HB2 CYS 73 -17.351 -1.070 1.485 550 HB3 CYS 73 HB3 CYS 73 -18.377 -1.799 2.737 551 H THR 74 H THR 74 -18.638 -0.258 4.843 552 HA THR 74 HA THR 74 -16.140 1.224 5.390 553 HB THR 74 HB THR 74 -17.119 2.402 7.215 554 HG1 THR 74 HG1 THR 74 -19.401 1.885 7.752 555 HG21 THR 74 HG21 THR 74 -19.469 2.370 5.334 556 HG22 THR 74 HG22 THR 74 -18.930 3.668 6.417 557 HG23 THR 74 HG23 THR 74 -17.959 3.260 4.987 558 H LYS 75 H LYS 75 -15.707 0.826 7.825 559 HA LYS 75 HA LYS 75 -15.375 -1.925 8.321 560 HB2 LYS 75 HB2 LYS 75 -14.751 -1.118 10.615 561 HB3 LYS 75 HB3 LYS 75 -13.988 -0.173 9.322 562 HG2 LYS 75 HG2 LYS 75 -15.758 1.596 9.567 563 HG3 LYS 75 HG3 LYS 75 -16.484 0.658 10.891 564 HD2 LYS 75 HD2 LYS 75 -14.394 0.852 12.182 565 HD3 LYS 75 HD3 LYS 75 -13.657 1.765 10.853 566 HE2 LYS 75 HE2 LYS 75 -14.407 3.332 12.539 567 HE3 LYS 75 HE3 LYS 75 -15.430 3.505 11.099 568 HZ1 LYS 75 HZ1 LYS 75 -16.741 3.477 13.132 569 HZ2 LYS 75 HZ2 LYS 75 -17.112 2.159 12.212 570 HZ3 LYS 75 HZ3 LYS 75 -16.157 1.991 13.547 571 H THR 76 H THR 76 -18.107 0.055 9.024 572 HA THR 76 HA THR 76 -19.242 -1.987 10.862 573 HB THR 76 HB THR 76 -20.965 -0.068 10.590 574 HG1 THR 76 HG1 THR 76 -20.228 1.797 10.068 575 HG21 THR 76 HG21 THR 76 -18.493 0.079 12.353 576 HG22 THR 76 HG22 THR 76 -19.959 1.055 12.621 577 HG23 THR 76 HG23 THR 76 -20.026 -0.714 12.775 578 H GLN 77 H GLN 77 -19.496 -0.760 7.837 579 HA GLN 77 HA GLN 77 -22.234 -1.212 7.173 580 HB2 GLN 77 HB2 GLN 77 -19.754 -0.960 5.546 581 HB3 GLN 77 HB3 GLN 77 -21.214 -1.512 4.758 582 HG2 GLN 77 HG2 GLN 77 -21.128 1.041 6.374 583 HG3 GLN 77 HG3 GLN 77 -20.737 0.974 4.648 584 HE21 GLN 77 HE21 GLN 77 -22.298 1.071 3.170 585 HE22 GLN 77 HE22 GLN 77 -24.005 1.019 3.553 586 HA PRO 78 HA PRO 78 -22.491 -5.544 6.866 587 HB2 PRO 78 HB2 PRO 78 -24.443 -5.905 5.002 588 HB3 PRO 78 HB3 PRO 78 -24.777 -5.117 6.579 589 HG2 PRO 78 HG2 PRO 78 -24.180 -3.820 3.911 590 HG3 PRO 78 HG3 PRO 78 -25.548 -3.505 5.028 591 HD2 PRO 78 HD2 PRO 78 -23.298 -1.947 5.028 592 HD3 PRO 78 HD3 PRO 78 -24.179 -2.337 6.547 593 H ASN 79 H ASN 79 -22.197 -7.428 5.567 594 HA ASN 79 HA ASN 79 -21.212 -8.751 4.027 595 HB2 ASN 79 HB2 ASN 79 -22.097 -6.625 2.054 596 HB3 ASN 79 HB3 ASN 79 -21.706 -8.312 1.694 597 HD21 ASN 79 HD21 ASN 79 -24.142 -7.076 1.072 598 HD22 ASN 79 HD22 ASN 79 -25.394 -7.861 2.004 599 H LEU 80 H LEU 80 -19.135 -7.612 5.221 600 HA LEU 80 HA LEU 80 -17.337 -6.230 3.473 601 HB2 LEU 80 HB2 LEU 80 -17.021 -7.720 6.043 602 HB3 LEU 80 HB3 LEU 80 -15.586 -7.438 5.067 603 HG LEU 80 HG LEU 80 -16.173 -4.986 5.046 604 HD11 LEU 80 HD11 LEU 80 -18.024 -5.827 7.297 605 HD12 LEU 80 HD12 LEU 80 -17.538 -4.158 6.922 606 HD13 LEU 80 HD13 LEU 80 -18.496 -5.079 5.752 607 HD21 LEU 80 HD21 LEU 80 -15.529 -6.340 7.693 608 HD22 LEU 80 HD22 LEU 80 -14.378 -5.951 6.388 609 HD23 LEU 80 HD23 LEU 80 -15.185 -4.643 7.281 610 H ASP 81 H ASP 81 -18.360 -9.502 3.274 611 HA ASP 81 HA ASP 81 -15.858 -10.403 2.049 612 HB2 ASP 81 HB2 ASP 81 -18.499 -11.754 1.581 613 HB3 ASP 81 HB3 ASP 81 -16.923 -12.484 1.914 614 H ASN 82 H ASN 82 -19.058 -9.300 1.111 615 HA ASN 82 HA ASN 82 -18.593 -9.867 -1.714 616 HB2 ASN 82 HB2 ASN 82 -20.921 -8.472 -0.352 617 HB3 ASN 82 HB3 ASN 82 -20.875 -9.001 -2.037 618 HD21 ASN 82 HD21 ASN 82 -20.067 -11.449 -2.148 619 HD22 ASN 82 HD22 ASN 82 -20.969 -12.508 -1.092 620 H CYS 83 H CYS 83 -18.722 -6.933 0.347 621 HA CYS 83 HA CYS 83 -18.933 -5.165 -1.871 622 HB2 CYS 83 HB2 CYS 83 -19.295 -4.554 0.523 623 HB3 CYS 83 HB3 CYS 83 -17.538 -4.513 0.732 624 HA PRO 84 HA PRO 84 -14.325 -4.789 -2.240 625 HB2 PRO 84 HB2 PRO 84 -12.583 -6.599 -1.152 626 HB3 PRO 84 HB3 PRO 84 -13.066 -5.064 -0.364 627 HG2 PRO 84 HG2 PRO 84 -14.067 -7.818 0.100 628 HG3 PRO 84 HG3 PRO 84 -13.658 -6.523 1.273 629 HD2 PRO 84 HD2 PRO 84 -16.199 -7.108 0.510 630 HD3 PRO 84 HD3 PRO 84 -15.662 -5.468 1.002 631 H PHE 85 H PHE 85 -15.657 -8.117 -2.060 632 HA PHE 85 HA PHE 85 -14.207 -9.198 -4.262 633 HB2 PHE 85 HB2 PHE 85 -15.733 -10.527 -2.866 634 HB3 PHE 85 HB3 PHE 85 -17.108 -9.589 -3.449 635 HD1 PHE 85 HD1 PHE 85 -14.476 -12.004 -4.512 636 HD2 PHE 85 HD2 PHE 85 -18.208 -10.095 -5.480 637 HE1 PHE 85 HE1 PHE 85 -14.772 -13.571 -6.427 638 HE2 PHE 85 HE2 PHE 85 -18.523 -11.661 -7.390 639 HZ PHE 85 HZ PHE 85 -16.798 -13.398 -7.876 640 H HIS 86 H HIS 86 -17.098 -7.083 -4.131 641 HA HIS 86 HA HIS 86 -17.222 -6.975 -7.057 642 HB2 HIS 86 HB2 HIS 86 -18.774 -5.523 -4.894 643 HB3 HIS 86 HB3 HIS 86 -19.059 -5.345 -6.630 644 HD1 HIS 86 HD1 HIS 86 -19.389 -7.972 -7.811 645 HD2 HIS 86 HD2 HIS 86 -20.481 -7.316 -3.854 646 HE1 HIS 86 HE1 HIS 86 -21.005 -9.812 -7.188 647 H ASP 87 H ASP 87 -15.574 -5.138 -4.579 648 HA ASP 87 HA ASP 87 -15.547 -2.575 -5.815 649 HB2 ASP 87 HB2 ASP 87 -13.506 -3.991 -4.065 650 HB3 ASP 87 HB3 ASP 87 -13.204 -2.389 -4.731 651 H GLN 88 H GLN 88 -13.078 -5.224 -6.048 652 HA GLN 88 HA GLN 88 -11.470 -3.871 -7.904 653 HB2 GLN 88 HB2 GLN 88 -11.924 -6.721 -7.249 654 HB3 GLN 88 HB3 GLN 88 -11.089 -6.377 -8.765 655 HG2 GLN 88 HG2 GLN 88 -9.630 -6.781 -6.743 656 HG3 GLN 88 HG3 GLN 88 -9.301 -5.338 -7.702 657 HE21 GLN 88 HE21 GLN 88 -8.740 -3.674 -6.523 658 HE22 GLN 88 HE22 GLN 88 -9.388 -3.267 -4.955 659 HA PRO 89 HA PRO 89 -13.577 -5.416 -11.671 660 HB2 PRO 89 HB2 PRO 89 -16.148 -6.394 -11.709 661 HB3 PRO 89 HB3 PRO 89 -14.705 -7.438 -11.492 662 HG2 PRO 89 HG2 PRO 89 -16.513 -6.270 -9.381 663 HG3 PRO 89 HG3 PRO 89 -15.982 -7.970 -9.587 664 HD2 PRO 89 HD2 PRO 89 -14.743 -6.325 -7.868 665 HD3 PRO 89 HD3 PRO 89 -13.819 -7.509 -8.843 666 H HIS 90 H HIS 90 -15.538 -3.830 -9.150 667 HA HIS 90 HA HIS 90 -17.132 -2.228 -10.971 668 HB2 HIS 90 HB2 HIS 90 -17.815 -2.467 -8.638 669 HB3 HIS 90 HB3 HIS 90 -16.279 -1.794 -8.086 670 HD1 HIS 90 HD1 HIS 90 -19.631 -0.738 -9.389 671 HD2 HIS 90 HD2 HIS 90 -15.982 0.978 -8.370 672 HE1 HIS 90 HE1 HIS 90 -20.009 1.759 -9.276 673 H LEU 91 H LEU 91 -13.936 -1.871 -9.407 674 HA LEU 91 HA LEU 91 -13.711 0.896 -10.214 675 HB2 LEU 91 HB2 LEU 91 -11.926 -1.102 -8.905 676 HB3 LEU 91 HB3 LEU 91 -11.185 0.288 -9.662 677 HG LEU 91 HG LEU 91 -11.289 0.791 -7.410 678 HD11 LEU 91 HD11 LEU 91 -13.633 2.260 -8.642 679 HD12 LEU 91 HD12 LEU 91 -12.639 2.794 -7.277 680 HD13 LEU 91 HD13 LEU 91 -11.910 2.649 -8.884 681 HD21 LEU 91 HD21 LEU 91 -12.877 -0.807 -6.598 682 HD22 LEU 91 HD22 LEU 91 -13.340 0.815 -6.045 683 HD23 LEU 91 HD23 LEU 91 -14.216 0.049 -7.391 684 H LYS 92 H LYS 92 -14.180 0.740 -12.447 685 HA LYS 92 HA LYS 92 -11.950 -0.140 -14.197 686 HB2 LYS 92 HB2 LYS 92 -14.490 1.467 -14.647 687 HB3 LYS 92 HB3 LYS 92 -13.267 1.250 -15.905 688 HG2 LYS 92 HG2 LYS 92 -13.801 -0.929 -16.281 689 HG3 LYS 92 HG3 LYS 92 -14.193 -1.255 -14.586 690 HD2 LYS 92 HD2 LYS 92 -15.977 0.519 -16.251 691 HD3 LYS 92 HD3 LYS 92 -16.110 -1.247 -16.363 692 HE2 LYS 92 HE2 LYS 92 -16.136 0.154 -13.673 693 HE3 LYS 92 HE3 LYS 92 -17.617 0.000 -14.646 694 HZ1 LYS 92 HZ1 LYS 92 -15.939 -2.235 -13.650 695 HZ2 LYS 92 HZ2 LYS 92 -17.440 -1.825 -13.121 696 HZ3 LYS 92 HZ3 LYS 92 -17.244 -2.419 -14.645 697 H ARG 93 H ARG 93 -12.770 2.315 -12.045 698 HA ARG 93 HA ARG 93 -11.133 4.458 -13.216 699 HB2 ARG 93 HB2 ARG 93 -12.343 4.154 -10.436 700 HB3 ARG 93 HB3 ARG 93 -11.614 5.623 -11.104 701 HG2 ARG 93 HG2 ARG 93 -13.333 5.564 -12.892 702 HG3 ARG 93 HG3 ARG 93 -14.105 4.217 -12.042 703 HD2 ARG 93 HD2 ARG 93 -13.678 7.041 -10.978 704 HD3 ARG 93 HD3 ARG 93 -15.228 6.314 -11.421 705 HE ARG 93 HE ARG 93 -13.713 5.961 -8.925 706 HH11 ARG 93 HH11 ARG 93 -16.292 4.534 -10.905 707 HH12 ARG 93 HH12 ARG 93 -16.957 3.666 -9.541 708 HH21 ARG 93 HH21 ARG 93 -14.626 4.898 -7.289 709 HH22 ARG 93 HH22 ARG 93 -16.037 3.874 -7.523 710 H LYS 94 H LYS 94 -9.367 2.916 -13.459 711 HA LYS 94 HA LYS 94 -8.046 1.955 -11.023 712 HB2 LYS 94 HB2 LYS 94 -7.221 2.038 -13.946 713 HB3 LYS 94 HB3 LYS 94 -6.160 1.418 -12.671 714 HG2 LYS 94 HG2 LYS 94 -8.956 0.317 -13.145 715 HG3 LYS 94 HG3 LYS 94 -7.516 -0.323 -13.963 716 HD2 LYS 94 HD2 LYS 94 -6.479 -0.859 -11.812 717 HD3 LYS 94 HD3 LYS 94 -7.847 -0.145 -10.941 718 HE2 LYS 94 HE2 LYS 94 -9.363 -1.832 -11.903 719 HE3 LYS 94 HE3 LYS 94 -7.992 -2.571 -12.763 720 HZ1 LYS 94 HZ1 LYS 94 -8.164 -2.259 -9.811 721 HZ2 LYS 94 HZ2 LYS 94 -8.475 -3.665 -10.627 722 HZ3 LYS 94 HZ3 LYS 94 -6.956 -3.009 -10.628 723 H ALA 95 H ALA 95 -7.197 3.331 -9.674 724 HA ALA 95 HA ALA 95 -5.612 5.619 -10.766 725 HB1 ALA 95 HB1 ALA 95 -7.315 5.425 -8.259 726 HB2 ALA 95 HB2 ALA 95 -6.258 6.782 -8.672 727 HB3 ALA 95 HB3 ALA 95 -7.651 6.419 -9.700 728 H PHE 96 H PHE 96 -3.643 5.971 -9.763 729 HA PHE 96 HA PHE 96 -2.798 3.819 -7.901 730 HB2 PHE 96 HB2 PHE 96 -0.660 3.715 -9.024 731 HB3 PHE 96 HB3 PHE 96 -1.954 3.427 -10.192 732 HD1 PHE 96 HD1 PHE 96 -2.530 5.176 -11.889 733 HD2 PHE 96 HD2 PHE 96 0.789 5.645 -9.184 734 HE1 PHE 96 HE1 PHE 96 -1.639 7.017 -13.309 735 HE2 PHE 96 HE2 PHE 96 1.689 7.483 -10.600 736 HZ PHE 96 HZ PHE 96 0.470 8.181 -12.663 737 H CYS 97 H CYS 97 -1.432 4.275 -6.352 738 HA CYS 97 HA CYS 97 -0.455 7.078 -6.026 739 HB2 CYS 97 HB2 CYS 97 -1.450 5.139 -3.911 740 HB3 CYS 97 HB3 CYS 97 -0.714 6.719 -3.594 741 H SER 98 H SER 98 1.556 7.254 -4.905 742 HA SER 98 HA SER 98 3.039 4.686 -4.561 743 HB2 SER 98 HB2 SER 98 4.116 7.233 -5.821 744 HB3 SER 98 HB3 SER 98 5.083 5.814 -5.384 745 HG SER 98 HG SER 98 4.016 4.609 -6.900 746 H PHE 99 H PHE 99 3.975 4.533 -2.655 747 HA PHE 99 HA PHE 99 4.150 7.027 -1.004 748 HB2 PHE 99 HB2 PHE 99 3.444 4.212 -0.096 749 HB3 PHE 99 HB3 PHE 99 3.613 5.632 0.946 750 HD1 PHE 99 HD1 PHE 99 2.086 7.693 0.302 751 HD2 PHE 99 HD2 PHE 99 1.308 3.631 -0.880 752 HE1 PHE 99 HE1 PHE 99 -0.299 8.274 -0.095 753 HE2 PHE 99 HE2 PHE 99 -1.093 4.199 -1.242 754 HZ PHE 99 HZ PHE 99 -1.899 6.528 -0.857 755 H GLN 100 H GLN 100 6.054 7.476 -0.273 756 HA GLN 100 HA GLN 100 8.141 5.331 -0.326 757 HB2 GLN 100 HB2 GLN 100 8.387 7.005 -2.151 758 HB3 GLN 100 HB3 GLN 100 8.421 8.279 -0.931 759 HG2 GLN 100 HG2 GLN 100 10.463 7.320 0.023 760 HG3 GLN 100 HG3 GLN 100 10.460 6.084 -1.244 761 HE21 GLN 100 HE21 GLN 100 11.752 8.979 -0.342 762 HE22 GLN 100 HE22 GLN 100 12.184 9.599 -1.918 763 H ILE 101 H ILE 101 8.751 4.845 1.683 764 HA ILE 101 HA ILE 101 8.591 7.026 3.748 765 HB ILE 101 HB ILE 101 8.445 4.003 4.156 766 HG12 ILE 101 HG12 ILE 101 6.210 5.954 4.734 767 HG13 ILE 101 HG13 ILE 101 6.406 5.313 3.104 768 HG21 ILE 101 HG21 ILE 101 7.840 4.625 6.505 769 HG22 ILE 101 HG22 ILE 101 9.483 5.117 6.064 770 HG23 ILE 101 HG23 ILE 101 8.179 6.328 6.121 771 HD11 ILE 101 HD11 ILE 101 6.149 3.048 3.908 772 HD12 ILE 101 HD12 ILE 101 5.991 3.630 5.581 773 HD13 ILE 101 HD13 ILE 101 4.759 4.045 4.370 774 H TYR 102 H TYR 102 10.555 7.784 4.305 775 HA TYR 102 HA TYR 102 12.876 6.060 3.691 776 HB2 TYR 102 HB2 TYR 102 12.736 8.562 3.137 777 HB3 TYR 102 HB3 TYR 102 12.929 8.849 4.873 778 HD1 TYR 102 HD1 TYR 102 15.068 7.935 6.014 779 HD2 TYR 102 HD2 TYR 102 14.582 8.053 1.740 780 HE1 TYR 102 HE1 TYR 102 17.536 7.697 5.719 781 HE2 TYR 102 HE2 TYR 102 17.048 7.828 1.457 782 HH TYR 102 HH TYR 102 19.067 7.739 2.489 783 H ALA 103 H ALA 103 13.762 4.820 5.292 784 HA ALA 103 HA ALA 103 12.880 5.349 8.054 785 HB1 ALA 103 HB1 ALA 103 13.528 3.074 8.490 786 HB2 ALA 103 HB2 ALA 103 12.327 3.156 7.174 787 HB3 ALA 103 HB3 ALA 103 14.052 2.892 6.801 788 H VAL 104 H VAL 104 14.347 5.800 9.563 789 HA VAL 104 HA VAL 104 16.992 6.567 8.362 790 HB VAL 104 HB VAL 104 16.243 7.261 11.181 791 HG11 VAL 104 HG11 VAL 104 16.988 9.349 10.708 792 HG12 VAL 104 HG12 VAL 104 18.128 8.130 10.093 793 HG13 VAL 104 HG13 VAL 104 17.022 8.978 8.978 794 HG21 VAL 104 HG21 VAL 104 14.123 7.322 10.447 795 HG22 VAL 104 HG22 VAL 104 14.646 9.003 10.561 796 HG23 VAL 104 HG23 VAL 104 14.518 8.223 8.960 797 HA PRO 105 HA PRO 105 16.874 2.998 10.731 798 HB2 PRO 105 HB2 PRO 105 19.178 1.529 10.198 799 HB3 PRO 105 HB3 PRO 105 17.808 1.630 9.041 800 HG2 PRO 105 HG2 PRO 105 20.341 3.265 9.114 801 HG3 PRO 105 HG3 PRO 105 19.610 2.389 7.733 802 HD2 PRO 105 HD2 PRO 105 19.218 5.064 8.130 803 HD3 PRO 105 HD3 PRO 105 17.940 4.005 7.444 804 H TRP 106 H TRP 106 19.571 5.120 10.657 805 HA TRP 106 HA TRP 106 21.109 4.290 12.873 806 HB2 TRP 106 HB2 TRP 106 21.332 6.138 10.934 807 HB3 TRP 106 HB3 TRP 106 20.754 7.197 12.224 808 HD1 TRP 106 HD1 TRP 106 22.345 6.788 14.649 809 HE1 TRP 106 HE1 TRP 106 24.877 6.714 14.862 810 HE3 TRP 106 HE3 TRP 106 23.428 5.640 9.779 811 HZ2 TRP 106 HZ2 TRP 106 27.107 6.228 13.147 812 HZ3 TRP 106 HZ3 TRP 106 25.830 5.371 9.117 813 HH2 TRP 106 HH2 TRP 106 27.646 5.666 10.802 814 H GLN 107 H GLN 107 18.000 5.813 12.756 815 HA GLN 107 HA GLN 107 18.252 6.545 15.644 816 HB2 GLN 107 HB2 GLN 107 16.576 7.824 13.471 817 HB3 GLN 107 HB3 GLN 107 16.551 8.281 15.177 818 HG2 GLN 107 HG2 GLN 107 18.926 8.517 13.285 819 HG3 GLN 107 HG3 GLN 107 17.885 9.841 13.817 820 HE21 GLN 107 HE21 GLN 107 20.846 8.684 14.236 821 HE22 GLN 107 HE22 GLN 107 21.111 9.080 15.915 822 H GLY 108 H GLY 108 16.944 4.238 13.619 823 HA2 GLY 108 HA2 GLY 108 15.359 2.616 14.047 824 HA3 GLY 108 HA3 GLY 108 15.285 3.217 15.714 825 H THR 109 H THR 109 14.665 5.241 12.971 826 HA THR 109 HA THR 109 11.754 5.391 13.636 827 HB THR 109 HB THR 109 12.264 7.870 12.769 828 HG1 THR 109 HG1 THR 109 14.618 7.437 14.218 829 HG21 THR 109 HG21 THR 109 12.943 6.918 15.594 830 HG22 THR 109 HG22 THR 109 12.574 8.598 15.128 831 HG23 THR 109 HG23 THR 109 11.319 7.344 15.002 832 H MET 110 H MET 110 10.527 6.413 11.786 833 HA MET 110 HA MET 110 12.078 6.562 9.281 834 HB2 MET 110 HB2 MET 110 10.541 5.076 8.043 835 HB3 MET 110 HB3 MET 110 11.182 4.167 9.409 836 HG2 MET 110 HG2 MET 110 9.055 4.531 10.631 837 HG3 MET 110 HG3 MET 110 8.411 5.380 9.208 838 HE1 MET 110 HE1 MET 110 6.421 3.888 8.630 839 HE2 MET 110 HE2 MET 110 6.432 2.110 8.670 840 HE3 MET 110 HE3 MET 110 6.674 3.035 10.171 841 H THR 111 H THR 111 10.757 7.727 7.624 842 HA THR 111 HA THR 111 8.356 9.166 8.654 843 HB THR 111 HB THR 111 10.842 10.464 7.448 844 HG1 THR 111 HG1 THR 111 9.889 10.150 10.080 845 HG21 THR 111 HG21 THR 111 8.236 11.619 8.474 846 HG22 THR 111 HG22 THR 111 9.700 12.577 8.148 847 HG23 THR 111 HG23 THR 111 8.902 11.707 6.819 848 H LEU 112 H LEU 112 6.861 9.602 6.971 849 HA LEU 112 HA LEU 112 7.260 8.425 4.411 850 HB2 LEU 112 HB2 LEU 112 5.101 8.910 5.613 851 HB3 LEU 112 HB3 LEU 112 5.342 10.614 5.278 852 HG LEU 112 HG LEU 112 5.162 10.109 2.829 853 HD11 LEU 112 HD11 LEU 112 4.198 7.882 2.233 854 HD12 LEU 112 HD12 LEU 112 5.851 7.770 2.865 855 HD13 LEU 112 HD13 LEU 112 4.480 7.353 3.914 856 HD21 LEU 112 HD21 LEU 112 2.898 9.256 4.691 857 HD22 LEU 112 HD22 LEU 112 3.229 10.895 4.089 858 HD23 LEU 112 HD23 LEU 112 2.690 9.628 2.969 859 H SER 113 H SER 113 8.671 9.124 2.965 860 HA SER 113 HA SER 113 9.642 11.894 2.968 861 HB2 SER 113 HB2 SER 113 11.184 10.024 2.614 862 HB3 SER 113 HB3 SER 113 10.240 9.483 1.213 863 HG SER 113 HG SER 113 10.877 12.077 0.926 864 H LYS 114 H LYS 114 7.499 9.815 1.043 865 HA LYS 114 HA LYS 114 6.483 12.220 -0.345 866 HB2 LYS 114 HB2 LYS 114 8.348 11.481 -1.793 867 HB3 LYS 114 HB3 LYS 114 7.623 9.875 -1.902 868 HG2 LYS 114 HG2 LYS 114 5.679 10.729 -3.049 869 HG3 LYS 114 HG3 LYS 114 6.240 12.401 -2.805 870 HD2 LYS 114 HD2 LYS 114 8.244 11.889 -4.179 871 HD3 LYS 114 HD3 LYS 114 7.568 10.267 -4.494 872 HE2 LYS 114 HE2 LYS 114 5.528 11.322 -5.406 873 HE3 LYS 114 HE3 LYS 114 6.222 12.923 -5.104 874 HZ1 LYS 114 HZ1 LYS 114 7.987 12.381 -6.673 875 HZ2 LYS 114 HZ2 LYS 114 7.342 10.887 -6.947 876 HZ3 LYS 114 HZ3 LYS 114 6.513 12.239 -7.403 877 H SER 115 H SER 115 4.389 12.060 -0.835 878 HA SER 115 HA SER 115 3.145 9.380 -1.116 879 HB2 SER 115 HB2 SER 115 1.104 10.782 -0.049 880 HB3 SER 115 HB3 SER 115 2.204 9.822 0.960 881 HG SER 115 HG SER 115 1.969 11.952 1.763 882 H THR 116 H THR 116 2.187 9.372 -3.067 883 HA THR 116 HA THR 116 1.139 11.959 -4.096 884 HB THR 116 HB THR 116 3.428 11.627 -5.088 885 HG1 THR 116 HG1 THR 116 1.383 11.255 -7.033 886 HG21 THR 116 HG21 THR 116 3.486 9.179 -5.177 887 HG22 THR 116 HG22 THR 116 2.171 9.174 -6.375 888 HG23 THR 116 HG23 THR 116 3.746 9.881 -6.787 889 H CYS 117 H CYS 117 -0.695 11.582 -5.523 890 HA CYS 117 HA CYS 117 -1.618 8.789 -5.615 891 HB2 CYS 117 HB2 CYS 117 -2.474 10.814 -3.681 892 HB3 CYS 117 HB3 CYS 117 -3.822 10.134 -4.589 893 H GLN 118 H GLN 118 -3.800 8.548 -6.472 894 HA GLN 118 HA GLN 118 -4.696 10.697 -8.328 895 HB2 GLN 118 HB2 GLN 118 -4.195 7.759 -8.953 896 HB3 GLN 118 HB3 GLN 118 -5.216 8.801 -9.961 897 HG2 GLN 118 HG2 GLN 118 -2.309 9.381 -9.360 898 HG3 GLN 118 HG3 GLN 118 -2.856 8.462 -10.767 899 HE21 GLN 118 HE21 GLN 118 -2.656 11.613 -9.273 900 HE22 GLN 118 HE22 GLN 118 -3.146 12.514 -10.697 901 H ASP 119 H ASP 119 -6.940 10.733 -8.441 902 HA ASP 119 HA ASP 119 -8.300 9.391 -6.217 903 HB2 ASP 119 HB2 ASP 119 -9.042 11.563 -8.170 904 HB3 ASP 119 HB3 ASP 119 -10.243 10.826 -7.095 905 H ALA 120 H ALA 120 -10.162 8.175 -6.293 906 HA ALA 120 HA ALA 120 -11.400 7.331 -8.790 907 HB1 ALA 120 HB1 ALA 120 -9.638 5.724 -8.899 908 HB2 ALA 120 HB2 ALA 120 -9.663 5.452 -7.144 909 HB3 ALA 120 HB3 ALA 120 -10.997 4.864 -8.163 Start of MODEL 12 1 H1 SER 1 H1 SER 1 -2.932 -3.778 -11.640 2 H2 SER 1 H2 SER 1 -3.470 -3.524 -10.136 3 H3 SER 1 H3 SER 1 -3.531 -5.007 -10.777 4 HA SER 1 HA SER 1 -1.068 -3.526 -10.127 5 HB2 SER 1 HB2 SER 1 -0.762 -5.228 -8.382 6 HB3 SER 1 HB3 SER 1 -2.287 -4.352 -8.153 7 HG SER 1 HG SER 1 -2.515 -6.638 -7.944 8 H SER 2 H SER 2 0.390 -6.032 -9.644 9 HA SER 2 HA SER 2 0.161 -7.468 -12.218 10 HB2 SER 2 HB2 SER 2 2.788 -6.262 -11.276 11 HB3 SER 2 HB3 SER 2 2.508 -7.186 -12.767 12 HG SER 2 HG SER 2 0.863 -5.404 -13.161 13 HA PRO 3 HA PRO 3 1.177 -10.674 -9.322 14 HB2 PRO 3 HB2 PRO 3 1.676 -12.771 -10.962 15 HB3 PRO 3 HB3 PRO 3 0.052 -12.016 -10.900 16 HG2 PRO 3 HG2 PRO 3 2.295 -11.514 -12.843 17 HG3 PRO 3 HG3 PRO 3 0.587 -11.937 -13.184 18 HD2 PRO 3 HD2 PRO 3 1.474 -9.369 -13.210 19 HD3 PRO 3 HD3 PRO 3 -0.177 -9.798 -12.636 20 H GLY 4 H GLY 4 2.950 -12.515 -9.040 21 HA2 GLY 4 HA2 GLY 4 5.242 -13.163 -9.472 22 HA3 GLY 4 HA3 GLY 4 5.606 -11.491 -9.927 23 H LYS 5 H LYS 5 7.196 -11.084 -8.487 24 HA LYS 5 HA LYS 5 8.225 -10.565 -6.510 25 HB2 LYS 5 HB2 LYS 5 5.430 -10.065 -5.460 26 HB3 LYS 5 HB3 LYS 5 6.945 -9.384 -4.847 27 HG2 LYS 5 HG2 LYS 5 7.257 -8.242 -7.021 28 HG3 LYS 5 HG3 LYS 5 5.681 -8.877 -7.541 29 HD2 LYS 5 HD2 LYS 5 4.723 -7.804 -5.418 30 HD3 LYS 5 HD3 LYS 5 6.260 -6.913 -5.318 31 HE2 LYS 5 HE2 LYS 5 4.290 -6.930 -7.638 32 HE3 LYS 5 HE3 LYS 5 4.574 -5.596 -6.505 33 HZ1 LYS 5 HZ1 LYS 5 6.505 -6.697 -8.461 34 HZ2 LYS 5 HZ2 LYS 5 5.807 -5.207 -8.504 35 HZ3 LYS 5 HZ3 LYS 5 6.915 -5.571 -7.328 36 HA PRO 6 HA PRO 6 7.054 -14.502 -4.349 37 HB2 PRO 6 HB2 PRO 6 9.453 -15.826 -4.566 38 HB3 PRO 6 HB3 PRO 6 8.171 -15.941 -5.816 39 HG2 PRO 6 HG2 PRO 6 10.582 -14.130 -5.751 40 HG3 PRO 6 HG3 PRO 6 10.028 -15.221 -7.065 41 HD2 PRO 6 HD2 PRO 6 9.425 -12.599 -7.111 42 HD3 PRO 6 HD3 PRO 6 8.206 -13.824 -7.605 43 HA PRO 7 HA PRO 7 8.950 -12.692 -0.808 44 HB2 PRO 7 HB2 PRO 7 8.999 -14.746 1.008 45 HB3 PRO 7 HB3 PRO 7 7.473 -13.974 0.476 46 HG2 PRO 7 HG2 PRO 7 8.754 -16.478 -0.563 47 HG3 PRO 7 HG3 PRO 7 7.077 -16.224 0.023 48 HD2 PRO 7 HD2 PRO 7 7.632 -16.144 -2.594 49 HD3 PRO 7 HD3 PRO 7 6.489 -14.956 -1.874 50 H ARG 8 H ARG 8 10.977 -12.398 0.189 51 HA ARG 8 HA ARG 8 12.998 -14.501 0.075 52 HB2 ARG 8 HB2 ARG 8 14.499 -13.545 -1.489 53 HB3 ARG 8 HB3 ARG 8 12.930 -13.530 -2.288 54 HG2 ARG 8 HG2 ARG 8 12.799 -11.071 -1.304 55 HG3 ARG 8 HG3 ARG 8 14.562 -11.247 -1.212 56 HD2 ARG 8 HD2 ARG 8 14.153 -10.255 -3.282 57 HD3 ARG 8 HD3 ARG 8 14.436 -11.969 -3.666 58 HE ARG 8 HE ARG 8 11.694 -11.777 -3.267 59 HH11 ARG 8 HH11 ARG 8 13.956 -10.174 -5.454 60 HH12 ARG 8 HH12 ARG 8 12.735 -9.918 -6.670 61 HH21 ARG 8 HH21 ARG 8 10.216 -11.420 -4.810 62 HH22 ARG 8 HH22 ARG 8 10.636 -10.606 -6.305 63 H LEU 9 H LEU 9 14.928 -13.939 1.196 64 HA LEU 9 HA LEU 9 15.167 -11.230 2.288 65 HB2 LEU 9 HB2 LEU 9 15.421 -13.765 3.936 66 HB3 LEU 9 HB3 LEU 9 15.884 -12.165 4.500 67 HG LEU 9 HG LEU 9 13.033 -12.977 3.843 68 HD11 LEU 9 HD11 LEU 9 14.456 -12.787 6.529 69 HD12 LEU 9 HD12 LEU 9 12.723 -13.112 6.283 70 HD13 LEU 9 HD13 LEU 9 13.931 -14.285 5.722 71 HD21 LEU 9 HD21 LEU 9 12.458 -10.947 5.164 72 HD22 LEU 9 HD22 LEU 9 14.188 -10.550 5.287 73 HD23 LEU 9 HD23 LEU 9 13.377 -10.554 3.700 74 H VAL 10 H VAL 10 16.263 -11.221 0.373 75 HA VAL 10 HA VAL 10 19.028 -11.840 1.122 76 HB VAL 10 HB VAL 10 18.221 -12.585 -1.667 77 HG11 VAL 10 HG11 VAL 10 20.423 -12.478 -0.898 78 HG12 VAL 10 HG12 VAL 10 19.992 -13.549 0.464 79 HG13 VAL 10 HG13 VAL 10 19.978 -14.172 -1.218 80 HG21 VAL 10 HG21 VAL 10 16.482 -13.862 -0.459 81 HG22 VAL 10 HG22 VAL 10 17.741 -14.958 -1.041 82 HG23 VAL 10 HG23 VAL 10 17.701 -14.498 0.674 83 H GLY 11 H GLY 11 20.429 -10.319 0.330 84 HA2 GLY 11 HA2 GLY 11 21.245 -8.777 -1.236 85 HA3 GLY 11 HA3 GLY 11 19.678 -8.765 -2.049 86 H GLY 12 H GLY 12 20.516 -6.408 -2.005 87 HA2 GLY 12 HA2 GLY 12 19.742 -5.053 0.522 88 HA3 GLY 12 HA3 GLY 12 20.625 -4.325 -0.830 89 HA PRO 13 HA PRO 13 16.589 -2.928 -1.886 90 HB2 PRO 13 HB2 PRO 13 16.808 -2.149 -4.496 91 HB3 PRO 13 HB3 PRO 13 17.501 -1.197 -3.146 92 HG2 PRO 13 HG2 PRO 13 18.873 -3.172 -4.961 93 HG3 PRO 13 HG3 PRO 13 19.395 -1.525 -4.485 94 HD2 PRO 13 HD2 PRO 13 20.356 -3.765 -3.270 95 HD3 PRO 13 HD3 PRO 13 20.089 -2.231 -2.368 96 H MET 14 H MET 14 14.880 -4.208 -2.255 97 HA MET 14 HA MET 14 14.889 -6.073 -4.548 98 HB2 MET 14 HB2 MET 14 14.376 -7.999 -3.133 99 HB3 MET 14 HB3 MET 14 15.943 -7.320 -2.681 100 HG2 MET 14 HG2 MET 14 14.875 -6.174 -0.733 101 HG3 MET 14 HG3 MET 14 13.319 -6.897 -1.178 102 HE1 MET 14 HE1 MET 14 14.094 -9.096 1.920 103 HE2 MET 14 HE2 MET 14 14.303 -7.338 1.731 104 HE3 MET 14 HE3 MET 14 12.870 -8.151 1.045 105 H ASP 15 H ASP 15 12.779 -6.678 -5.226 106 HA ASP 15 HA ASP 15 10.527 -5.268 -3.979 107 HB2 ASP 15 HB2 ASP 15 10.778 -7.257 -6.243 108 HB3 ASP 15 HB3 ASP 15 9.224 -7.068 -5.419 109 H ALA 16 H ALA 16 9.302 -6.133 -2.331 110 HA ALA 16 HA ALA 16 9.985 -8.901 -1.356 111 HB1 ALA 16 HB1 ALA 16 8.791 -7.985 0.740 112 HB2 ALA 16 HB2 ALA 16 10.417 -7.356 0.395 113 HB3 ALA 16 HB3 ALA 16 8.983 -6.381 0.004 114 H SER 17 H SER 17 7.994 -9.966 -0.514 115 HA SER 17 HA SER 17 5.878 -9.687 -2.574 116 HB2 SER 17 HB2 SER 17 5.234 -11.786 -2.013 117 HB3 SER 17 HB3 SER 17 6.803 -11.876 -1.191 118 HG SER 17 HG SER 17 5.840 -11.777 0.692 119 H VAL 18 H VAL 18 3.625 -9.239 -1.918 120 HA VAL 18 HA VAL 18 3.515 -6.987 -0.148 121 HB VAL 18 HB VAL 18 1.153 -6.896 -0.686 122 HG11 VAL 18 HG11 VAL 18 2.533 -8.064 -3.136 123 HG12 VAL 18 HG12 VAL 18 1.212 -6.877 -3.094 124 HG13 VAL 18 HG13 VAL 18 2.831 -6.420 -2.521 125 HG21 VAL 18 HG21 VAL 18 0.479 -9.218 -0.284 126 HG22 VAL 18 HG22 VAL 18 -0.001 -8.749 -1.922 127 HG23 VAL 18 HG23 VAL 18 1.427 -9.779 -1.681 128 H GLU 19 H GLU 19 3.378 -10.341 0.393 129 HA GLU 19 HA GLU 19 1.816 -10.079 2.861 130 HB2 GLU 19 HB2 GLU 19 3.087 -12.403 1.404 131 HB3 GLU 19 HB3 GLU 19 2.291 -12.555 2.985 132 HG2 GLU 19 HG2 GLU 19 1.041 -11.694 0.369 133 HG3 GLU 19 HG3 GLU 19 0.713 -13.174 1.284 134 H GLU 20 H GLU 20 5.145 -9.795 1.916 135 HA GLU 20 HA GLU 20 6.233 -10.689 4.309 136 HB2 GLU 20 HB2 GLU 20 7.242 -8.709 2.392 137 HB3 GLU 20 HB3 GLU 20 7.870 -8.608 4.044 138 HG2 GLU 20 HG2 GLU 20 9.263 -9.991 3.070 139 HG3 GLU 20 HG3 GLU 20 8.089 -11.012 3.961 140 H GLU 21 H GLU 21 6.879 -10.155 6.097 141 HA GLU 21 HA GLU 21 5.132 -8.655 7.437 142 HB2 GLU 21 HB2 GLU 21 7.920 -9.405 8.224 143 HB3 GLU 21 HB3 GLU 21 6.815 -8.590 9.338 144 HG2 GLU 21 HG2 GLU 21 5.206 -10.488 9.010 145 HG3 GLU 21 HG3 GLU 21 6.494 -11.338 8.130 146 H GLY 22 H GLY 22 8.212 -7.840 6.116 147 HA2 GLY 22 HA2 GLY 22 8.365 -5.173 7.156 148 HA3 GLY 22 HA3 GLY 22 9.289 -5.821 5.792 149 H VAL 23 H VAL 23 6.588 -6.550 4.397 150 HA VAL 23 HA VAL 23 6.185 -3.849 3.301 151 HB VAL 23 HB VAL 23 5.098 -6.584 2.470 152 HG11 VAL 23 HG11 VAL 23 4.513 -5.333 0.337 153 HG12 VAL 23 HG12 VAL 23 3.483 -5.061 1.741 154 HG13 VAL 23 HG13 VAL 23 4.698 -3.838 1.283 155 HG21 VAL 23 HG21 VAL 23 7.468 -6.336 2.055 156 HG22 VAL 23 HG22 VAL 23 6.582 -6.260 0.526 157 HG23 VAL 23 HG23 VAL 23 7.191 -4.762 1.261 158 H ARG 24 H ARG 24 4.114 -6.475 4.747 159 HA ARG 24 HA ARG 24 1.685 -5.120 4.552 160 HB2 ARG 24 HB2 ARG 24 2.691 -6.936 6.776 161 HB3 ARG 24 HB3 ARG 24 1.009 -6.454 6.534 162 HG2 ARG 24 HG2 ARG 24 1.293 -7.437 4.143 163 HG3 ARG 24 HG3 ARG 24 2.741 -8.239 4.795 164 HD2 ARG 24 HD2 ARG 24 0.811 -9.726 4.888 165 HD3 ARG 24 HD3 ARG 24 1.364 -9.291 6.520 166 HE ARG 24 HE ARG 24 -0.547 -7.915 6.827 167 HH11 ARG 24 HH11 ARG 24 -0.733 -9.621 3.721 168 HH12 ARG 24 HH12 ARG 24 -2.391 -9.160 3.491 169 HH21 ARG 24 HH21 ARG 24 -2.656 -7.395 6.446 170 HH22 ARG 24 HH22 ARG 24 -3.469 -7.981 5.021 171 H ARG 25 H ARG 25 4.074 -4.831 7.225 172 HA ARG 25 HA ARG 25 2.426 -3.067 8.757 173 HB2 ARG 25 HB2 ARG 25 4.439 -2.413 9.923 174 HB3 ARG 25 HB3 ARG 25 4.402 -4.169 9.700 175 HG2 ARG 25 HG2 ARG 25 6.461 -4.096 8.796 176 HG3 ARG 25 HG3 ARG 25 5.878 -3.071 7.474 177 HD2 ARG 25 HD2 ARG 25 7.675 -1.901 8.573 178 HD3 ARG 25 HD3 ARG 25 6.165 -1.087 9.040 179 HE ARG 25 HE ARG 25 6.834 -3.147 10.929 180 HH11 ARG 25 HH11 ARG 25 7.775 0.147 10.049 181 HH12 ARG 25 HH12 ARG 25 8.379 0.492 11.645 182 HH21 ARG 25 HH21 ARG 25 7.625 -2.625 12.934 183 HH22 ARG 25 HH22 ARG 25 8.283 -1.041 13.249 184 H ALA 26 H ALA 26 4.420 -2.409 5.946 185 HA ALA 26 HA ALA 26 4.461 0.456 6.446 186 HB1 ALA 26 HB1 ALA 26 6.396 -0.800 5.421 187 HB2 ALA 26 HB2 ALA 26 5.361 -1.123 4.007 188 HB3 ALA 26 HB3 ALA 26 5.787 0.547 4.438 189 H LEU 27 H LEU 27 2.702 -2.023 4.667 190 HA LEU 27 HA LEU 27 1.433 -0.286 2.789 191 HB2 LEU 27 HB2 LEU 27 0.373 -2.866 4.027 192 HB3 LEU 27 HB3 LEU 27 -0.323 -2.034 2.654 193 HG LEU 27 HG LEU 27 2.180 -3.688 2.782 194 HD11 LEU 27 HD11 LEU 27 -0.209 -3.606 0.897 195 HD12 LEU 27 HD12 LEU 27 1.127 -4.783 0.860 196 HD13 LEU 27 HD13 LEU 27 0.020 -4.746 2.244 197 HD21 LEU 27 HD21 LEU 27 2.959 -1.715 1.709 198 HD22 LEU 27 HD22 LEU 27 2.639 -2.905 0.447 199 HD23 LEU 27 HD23 LEU 27 1.485 -1.579 0.720 200 H ASP 28 H ASP 28 0.245 -1.668 5.884 201 HA ASP 28 HA ASP 28 -2.207 -0.129 5.744 202 HB2 ASP 28 HB2 ASP 28 -0.779 -1.625 7.990 203 HB3 ASP 28 HB3 ASP 28 -2.330 -0.799 8.220 204 H PHE 29 H PHE 29 1.015 0.367 7.157 205 HA PHE 29 HA PHE 29 0.281 2.680 8.690 206 HB2 PHE 29 HB2 PHE 29 2.391 1.365 8.919 207 HB3 PHE 29 HB3 PHE 29 2.949 2.049 7.389 208 HD1 PHE 29 HD1 PHE 29 2.447 2.567 10.964 209 HD2 PHE 29 HD2 PHE 29 3.417 4.560 7.273 210 HE1 PHE 29 HE1 PHE 29 3.349 4.501 12.249 211 HE2 PHE 29 HE2 PHE 29 4.353 6.478 8.555 212 HZ PHE 29 HZ PHE 29 4.314 6.458 11.040 213 H ALA 30 H ALA 30 1.503 2.228 5.305 214 HA ALA 30 HA ALA 30 1.670 5.007 4.682 215 HB1 ALA 30 HB1 ALA 30 2.490 3.190 3.215 216 HB2 ALA 30 HB2 ALA 30 0.804 2.746 2.835 217 HB3 ALA 30 HB3 ALA 30 1.441 4.328 2.338 218 H VAL 31 H VAL 31 -1.266 2.945 4.502 219 HA VAL 31 HA VAL 31 -2.889 4.961 3.123 220 HB VAL 31 HB VAL 31 -4.205 3.019 4.930 221 HG11 VAL 31 HG11 VAL 31 -5.495 4.188 3.376 222 HG12 VAL 31 HG12 VAL 31 -4.523 3.543 2.028 223 HG13 VAL 31 HG13 VAL 31 -5.523 2.450 3.023 224 HG21 VAL 31 HG21 VAL 31 -2.383 2.023 2.862 225 HG22 VAL 31 HG22 VAL 31 -2.407 1.781 4.636 226 HG23 VAL 31 HG23 VAL 31 -3.693 1.074 3.626 227 H GLY 32 H GLY 32 -2.193 3.718 6.362 228 HA2 GLY 32 HA2 GLY 32 -4.240 5.121 7.732 229 HA3 GLY 32 HA3 GLY 32 -2.732 4.517 8.442 230 H GLU 33 H GLU 33 -1.041 5.886 6.549 231 HA GLU 33 HA GLU 33 -1.002 8.462 8.076 232 HB2 GLU 33 HB2 GLU 33 0.952 6.984 7.788 233 HB3 GLU 33 HB3 GLU 33 0.906 7.261 6.049 234 HG2 GLU 33 HG2 GLU 33 1.477 9.597 6.394 235 HG3 GLU 33 HG3 GLU 33 1.442 9.358 8.155 236 H TYR 34 H TYR 34 -1.751 7.290 4.923 237 HA TYR 34 HA TYR 34 -1.590 9.971 3.886 238 HB2 TYR 34 HB2 TYR 34 -0.739 8.175 2.461 239 HB3 TYR 34 HB3 TYR 34 -2.390 7.538 2.304 240 HD1 TYR 34 HD1 TYR 34 -0.199 10.490 1.616 241 HD2 TYR 34 HD2 TYR 34 -3.989 8.616 0.819 242 HE1 TYR 34 HE1 TYR 34 -0.669 12.178 -0.166 243 HE2 TYR 34 HE2 TYR 34 -4.455 10.314 -0.942 244 HH TYR 34 HH TYR 34 -3.731 12.220 -1.984 245 H ASN 35 H ASN 35 -3.995 7.470 3.864 246 HA ASN 35 HA ASN 35 -6.092 9.279 2.943 247 HB2 ASN 35 HB2 ASN 35 -5.721 6.312 3.403 248 HB3 ASN 35 HB3 ASN 35 -7.372 6.963 3.264 249 HD21 ASN 35 HD21 ASN 35 -7.628 8.537 1.317 250 HD22 ASN 35 HD22 ASN 35 -6.910 7.964 -0.170 251 H LYS 36 H LYS 36 -5.615 7.084 5.716 252 HA LYS 36 HA LYS 36 -7.982 8.016 7.107 253 HB2 LYS 36 HB2 LYS 36 -7.067 5.843 7.586 254 HB3 LYS 36 HB3 LYS 36 -5.480 6.532 7.872 255 HG2 LYS 36 HG2 LYS 36 -7.714 7.290 9.735 256 HG3 LYS 36 HG3 LYS 36 -6.925 5.708 9.900 257 HD2 LYS 36 HD2 LYS 36 -4.918 7.759 9.533 258 HD3 LYS 36 HD3 LYS 36 -5.978 8.235 10.854 259 HE2 LYS 36 HE2 LYS 36 -4.735 5.475 10.685 260 HE3 LYS 36 HE3 LYS 36 -3.893 6.854 11.420 261 HZ1 LYS 36 HZ1 LYS 36 -5.105 5.589 13.070 262 HZ2 LYS 36 HZ2 LYS 36 -5.735 7.109 12.946 263 HZ3 LYS 36 HZ3 LYS 36 -6.531 5.831 12.275 264 H ALA 37 H ALA 37 -4.611 9.080 6.970 265 HA ALA 37 HA ALA 37 -4.747 10.628 9.393 266 HB1 ALA 37 HB1 ALA 37 -2.659 11.451 8.838 267 HB2 ALA 37 HB2 ALA 37 -2.676 9.784 8.205 268 HB3 ALA 37 HB3 ALA 37 -2.923 11.168 7.108 269 H SER 38 H SER 38 -5.438 11.105 5.969 270 HA SER 38 HA SER 38 -5.972 13.982 6.219 271 HB2 SER 38 HB2 SER 38 -6.602 11.966 4.023 272 HB3 SER 38 HB3 SER 38 -6.879 13.716 3.908 273 HG SER 38 HG SER 38 -4.472 12.270 3.930 274 H ASN 39 H ASN 39 -8.099 14.913 5.791 275 HA ASN 39 HA ASN 39 -10.209 13.491 7.262 276 HB2 ASN 39 HB2 ASN 39 -9.556 16.003 7.356 277 HB3 ASN 39 HB3 ASN 39 -10.505 16.144 5.872 278 HD21 ASN 39 HD21 ASN 39 -12.755 15.063 6.071 279 HD22 ASN 39 HD22 ASN 39 -13.610 15.387 7.568 280 H ASP 40 H ASP 40 -9.833 11.913 5.291 281 HA ASP 40 HA ASP 40 -11.115 12.535 2.793 282 HB2 ASP 40 HB2 ASP 40 -9.491 10.612 3.345 283 HB3 ASP 40 HB3 ASP 40 -10.900 9.755 3.985 284 H MET 41 H MET 41 -13.196 12.608 2.259 285 HA MET 41 HA MET 41 -15.240 12.323 4.316 286 HB2 MET 41 HB2 MET 41 -15.455 12.841 1.328 287 HB3 MET 41 HB3 MET 41 -16.779 12.983 2.493 288 HG2 MET 41 HG2 MET 41 -15.495 14.754 3.687 289 HG3 MET 41 HG3 MET 41 -14.256 14.673 2.423 290 HE1 MET 41 HE1 MET 41 -16.004 16.171 -0.708 291 HE2 MET 41 HE2 MET 41 -14.477 15.641 0.037 292 HE3 MET 41 HE3 MET 41 -15.742 14.450 -0.353 293 H TYR 42 H TYR 42 -13.751 10.164 2.124 294 HA TYR 42 HA TYR 42 -16.100 8.309 2.310 295 HB2 TYR 42 HB2 TYR 42 -14.053 8.376 0.080 296 HB3 TYR 42 HB3 TYR 42 -15.608 7.531 0.105 297 HD1 TYR 42 HD1 TYR 42 -13.857 10.630 -0.678 298 HD2 TYR 42 HD2 TYR 42 -17.761 8.943 0.011 299 HE1 TYR 42 HE1 TYR 42 -14.914 12.618 -1.758 300 HE2 TYR 42 HE2 TYR 42 -18.806 10.939 -1.066 301 HH TYR 42 HH TYR 42 -18.450 12.996 -2.018 302 H HIS 43 H HIS 43 -15.383 5.971 2.217 303 HA HIS 43 HA HIS 43 -12.848 5.662 3.720 304 HB2 HIS 43 HB2 HIS 43 -15.050 3.780 2.816 305 HB3 HIS 43 HB3 HIS 43 -13.468 3.160 3.311 306 HD1 HIS 43 HD1 HIS 43 -16.078 5.538 4.867 307 HD2 HIS 43 HD2 HIS 43 -13.365 2.567 5.904 308 HE1 HIS 43 HE1 HIS 43 -16.311 5.183 7.355 309 H SER 44 H SER 44 -11.072 5.848 2.498 310 HA SER 44 HA SER 44 -11.084 4.566 -0.206 311 HB2 SER 44 HB2 SER 44 -9.390 6.872 0.806 312 HB3 SER 44 HB3 SER 44 -9.350 6.176 -0.828 313 HG SER 44 HG SER 44 -10.906 8.110 0.132 314 H ARG 45 H ARG 45 -9.227 3.310 -0.668 315 HA ARG 45 HA ARG 45 -7.391 2.814 1.614 316 HB2 ARG 45 HB2 ARG 45 -9.729 1.333 1.221 317 HB3 ARG 45 HB3 ARG 45 -8.486 0.342 0.458 318 HG2 ARG 45 HG2 ARG 45 -7.196 0.317 2.548 319 HG3 ARG 45 HG3 ARG 45 -8.411 1.362 3.319 320 HD2 ARG 45 HD2 ARG 45 -8.954 -1.393 2.141 321 HD3 ARG 45 HD3 ARG 45 -8.718 -1.065 3.865 322 HE ARG 45 HE ARG 45 -11.068 -0.378 2.207 323 HH11 ARG 45 HH11 ARG 45 -9.533 -0.089 5.369 324 HH12 ARG 45 HH12 ARG 45 -11.016 0.393 6.145 325 HH21 ARG 45 HH21 ARG 45 -12.917 0.261 3.247 326 HH22 ARG 45 HH22 ARG 45 -12.902 0.564 4.963 327 H ALA 46 H ALA 46 -5.553 1.579 1.075 328 HA ALA 46 HA ALA 46 -4.721 1.527 -1.709 329 HB1 ALA 46 HB1 ALA 46 -3.011 1.547 0.144 330 HB2 ALA 46 HB2 ALA 46 -3.660 0.017 0.774 331 HB3 ALA 46 HB3 ALA 46 -2.850 0.054 -0.825 332 H LEU 47 H LEU 47 -6.113 0.370 -2.995 333 HA LEU 47 HA LEU 47 -7.722 -1.825 -2.051 334 HB2 LEU 47 HB2 LEU 47 -6.839 -0.830 -4.767 335 HB3 LEU 47 HB3 LEU 47 -7.773 -2.293 -4.597 336 HG LEU 47 HG LEU 47 -8.727 0.491 -3.946 337 HD11 LEU 47 HD11 LEU 47 -9.109 -1.541 -6.190 338 HD12 LEU 47 HD12 LEU 47 -10.138 -0.101 -5.987 339 HD13 LEU 47 HD13 LEU 47 -8.401 0.088 -6.301 340 HD21 LEU 47 HD21 LEU 47 -10.174 -2.190 -3.849 341 HD22 LEU 47 HD22 LEU 47 -9.852 -1.116 -2.470 342 HD23 LEU 47 HD23 LEU 47 -10.963 -0.600 -3.755 343 H GLN 48 H GLN 48 -4.748 -1.554 -3.930 344 HA GLN 48 HA GLN 48 -4.012 -4.316 -3.395 345 HB2 GLN 48 HB2 GLN 48 -5.782 -4.375 -5.217 346 HB3 GLN 48 HB3 GLN 48 -4.731 -3.378 -6.216 347 HG2 GLN 48 HG2 GLN 48 -4.608 -5.802 -6.759 348 HG3 GLN 48 HG3 GLN 48 -3.051 -5.107 -6.282 349 HE21 GLN 48 HE21 GLN 48 -5.830 -6.913 -4.963 350 HE22 GLN 48 HE22 GLN 48 -4.866 -7.811 -3.802 351 H VAL 49 H VAL 49 -1.804 -4.489 -3.567 352 HA VAL 49 HA VAL 49 -0.412 -2.012 -4.195 353 HB VAL 49 HB VAL 49 0.340 -4.550 -2.810 354 HG11 VAL 49 HG11 VAL 49 2.732 -4.030 -2.921 355 HG12 VAL 49 HG12 VAL 49 2.112 -4.444 -4.518 356 HG13 VAL 49 HG13 VAL 49 2.418 -2.737 -4.092 357 HG21 VAL 49 HG21 VAL 49 1.344 -2.954 -1.226 358 HG22 VAL 49 HG22 VAL 49 1.094 -1.564 -2.328 359 HG23 VAL 49 HG23 VAL 49 -0.298 -2.422 -1.601 360 H VAL 50 H VAL 50 0.694 -1.500 -5.923 361 HA VAL 50 HA VAL 50 0.630 -3.299 -8.256 362 HB VAL 50 HB VAL 50 1.795 -0.477 -7.970 363 HG11 VAL 50 HG11 VAL 50 2.593 -1.628 -9.973 364 HG12 VAL 50 HG12 VAL 50 0.932 -2.075 -10.420 365 HG13 VAL 50 HG13 VAL 50 1.438 -0.370 -10.434 366 HG21 VAL 50 HG21 VAL 50 -0.975 -1.369 -8.785 367 HG22 VAL 50 HG22 VAL 50 -0.530 -0.380 -7.378 368 HG23 VAL 50 HG23 VAL 50 -0.334 0.272 -9.011 369 H ARG 51 H ARG 51 2.980 -1.595 -6.153 370 HA ARG 51 HA ARG 51 5.033 -3.659 -6.787 371 HB2 ARG 51 HB2 ARG 51 5.704 -0.716 -6.719 372 HB3 ARG 51 HB3 ARG 51 6.774 -2.034 -7.148 373 HG2 ARG 51 HG2 ARG 51 4.414 -1.130 -8.840 374 HG3 ARG 51 HG3 ARG 51 6.073 -0.565 -9.049 375 HD2 ARG 51 HD2 ARG 51 6.816 -2.883 -9.428 376 HD3 ARG 51 HD3 ARG 51 5.144 -3.431 -9.270 377 HE ARG 51 HE ARG 51 6.214 -1.728 -11.469 378 HH11 ARG 51 HH11 ARG 51 3.673 -3.882 -10.272 379 HH12 ARG 51 HH12 ARG 51 2.941 -4.031 -11.858 380 HH21 ARG 51 HH21 ARG 51 5.181 -1.932 -13.433 381 HH22 ARG 51 HH22 ARG 51 3.761 -2.932 -13.586 382 H ALA 52 H ALA 52 6.273 -4.139 -4.939 383 HA ALA 52 HA ALA 52 6.263 -2.172 -2.726 384 HB1 ALA 52 HB1 ALA 52 5.996 -4.189 -1.145 385 HB2 ALA 52 HB2 ALA 52 4.518 -3.631 -1.943 386 HB3 ALA 52 HB3 ALA 52 5.361 -5.086 -2.541 387 H ARG 53 H ARG 53 8.269 -1.809 -2.272 388 HA ARG 53 HA ARG 53 10.232 -3.983 -2.436 389 HB2 ARG 53 HB2 ARG 53 11.690 -2.784 -4.015 390 HB3 ARG 53 HB3 ARG 53 10.209 -3.372 -4.743 391 HG2 ARG 53 HG2 ARG 53 10.539 -0.553 -3.890 392 HG3 ARG 53 HG3 ARG 53 11.039 -1.156 -5.471 393 HD2 ARG 53 HD2 ARG 53 8.669 -2.096 -5.666 394 HD3 ARG 53 HD3 ARG 53 8.288 -1.069 -4.282 395 HE ARG 53 HE ARG 53 8.115 0.732 -5.668 396 HH11 ARG 53 HH11 ARG 53 10.043 -1.688 -7.406 397 HH12 ARG 53 HH12 ARG 53 10.037 -0.744 -8.874 398 HH21 ARG 53 HH21 ARG 53 8.087 1.812 -7.553 399 HH22 ARG 53 HH22 ARG 53 8.974 1.233 -8.947 400 H LYS 54 H LYS 54 12.426 -3.164 -2.050 401 HA LYS 54 HA LYS 54 12.246 -1.055 0.021 402 HB2 LYS 54 HB2 LYS 54 13.289 -3.920 0.182 403 HB3 LYS 54 HB3 LYS 54 13.862 -2.683 1.307 404 HG2 LYS 54 HG2 LYS 54 12.123 -2.966 2.577 405 HG3 LYS 54 HG3 LYS 54 11.046 -2.514 1.257 406 HD2 LYS 54 HD2 LYS 54 11.018 -4.957 0.513 407 HD3 LYS 54 HD3 LYS 54 11.950 -5.335 1.984 408 HE2 LYS 54 HE2 LYS 54 9.195 -4.090 1.773 409 HE3 LYS 54 HE3 LYS 54 9.615 -5.662 2.473 410 HZ1 LYS 54 HZ1 LYS 54 9.185 -3.915 4.151 411 HZ2 LYS 54 HZ2 LYS 54 10.720 -4.518 4.281 412 HZ3 LYS 54 HZ3 LYS 54 10.465 -3.042 3.592 413 H GLN 55 H GLN 55 14.347 -0.295 0.746 414 HA GLN 55 HA GLN 55 16.652 -0.804 -1.078 415 HB2 GLN 55 HB2 GLN 55 15.286 1.566 -1.127 416 HB3 GLN 55 HB3 GLN 55 16.293 1.845 0.286 417 HG2 GLN 55 HG2 GLN 55 17.179 1.272 -2.532 418 HG3 GLN 55 HG3 GLN 55 17.415 2.760 -1.604 419 HE21 GLN 55 HE21 GLN 55 18.954 2.712 0.182 420 HE22 GLN 55 HE22 GLN 55 20.225 1.512 0.189 421 H ILE 56 H ILE 56 18.496 -1.194 0.245 422 HA ILE 56 HA ILE 56 18.083 -0.904 3.204 423 HB ILE 56 HB ILE 56 19.383 -3.247 1.725 424 HG12 ILE 56 HG12 ILE 56 16.919 -3.310 1.556 425 HG13 ILE 56 HG13 ILE 56 17.564 -4.639 2.507 426 HG21 ILE 56 HG21 ILE 56 19.488 -4.303 4.031 427 HG22 ILE 56 HG22 ILE 56 20.562 -2.910 3.813 428 HG23 ILE 56 HG23 ILE 56 19.041 -2.723 4.719 429 HD11 ILE 56 HD11 ILE 56 16.823 -3.580 4.603 430 HD12 ILE 56 HD12 ILE 56 16.273 -2.141 3.714 431 HD13 ILE 56 HD13 ILE 56 15.464 -3.701 3.470 432 H GLY 57 H GLY 57 19.838 -0.039 4.278 433 HA2 GLY 57 HA2 GLY 57 22.512 -0.194 3.702 434 HA3 GLY 57 HA3 GLY 57 21.942 1.130 2.653 435 H ALA 58 H ALA 58 23.236 2.608 3.990 436 HA ALA 58 HA ALA 58 22.758 2.980 6.785 437 HB1 ALA 58 HB1 ALA 58 23.666 4.994 4.672 438 HB2 ALA 58 HB2 ALA 58 23.811 5.196 6.434 439 HB3 ALA 58 HB3 ALA 58 24.730 3.915 5.610 440 H GLY 59 H GLY 59 20.987 3.835 3.928 441 HA2 GLY 59 HA2 GLY 59 18.901 5.127 5.631 442 HA3 GLY 59 HA3 GLY 59 19.261 5.669 3.966 443 H VAL 60 H VAL 60 16.888 4.160 5.382 444 HA VAL 60 HA VAL 60 16.806 1.849 3.473 445 HB VAL 60 HB VAL 60 15.634 2.183 6.276 446 HG11 VAL 60 HG11 VAL 60 13.961 1.047 4.870 447 HG12 VAL 60 HG12 VAL 60 15.191 -0.112 4.320 448 HG13 VAL 60 HG13 VAL 60 14.684 -0.091 6.020 449 HG21 VAL 60 HG21 VAL 60 17.595 0.135 5.163 450 HG22 VAL 60 HG22 VAL 60 18.027 1.521 6.186 451 HG23 VAL 60 HG23 VAL 60 17.007 0.224 6.839 452 H ASN 61 H ASN 61 15.068 1.815 2.081 453 HA ASN 61 HA ASN 61 12.939 3.876 2.575 454 HB2 ASN 61 HB2 ASN 61 14.801 3.634 0.309 455 HB3 ASN 61 HB3 ASN 61 13.104 3.647 -0.178 456 HD21 ASN 61 HD21 ASN 61 15.665 5.581 0.188 457 HD22 ASN 61 HD22 ASN 61 14.855 7.075 0.589 458 H TYR 62 H TYR 62 10.945 3.157 2.423 459 HA TYR 62 HA TYR 62 10.502 0.463 1.175 460 HB2 TYR 62 HB2 TYR 62 8.731 2.051 3.079 461 HB3 TYR 62 HB3 TYR 62 8.431 0.412 2.490 462 HD1 TYR 62 HD1 TYR 62 11.180 -0.802 2.826 463 HD2 TYR 62 HD2 TYR 62 8.948 1.816 5.412 464 HE1 TYR 62 HE1 TYR 62 12.406 -1.703 4.806 465 HE2 TYR 62 HE2 TYR 62 10.178 0.908 7.381 466 HH TYR 62 HH TYR 62 11.829 -0.513 8.109 467 H PHE 63 H PHE 63 9.789 0.643 -0.908 468 HA PHE 63 HA PHE 63 8.204 3.096 -1.610 469 HB2 PHE 63 HB2 PHE 63 9.443 0.985 -3.377 470 HB3 PHE 63 HB3 PHE 63 8.660 2.458 -3.929 471 HD1 PHE 63 HD1 PHE 63 11.714 0.941 -2.595 472 HD2 PHE 63 HD2 PHE 63 9.790 4.666 -3.568 473 HE1 PHE 63 HE1 PHE 63 13.918 2.077 -2.578 474 HE2 PHE 63 HE2 PHE 63 12.001 5.816 -3.534 475 HZ PHE 63 HZ PHE 63 14.071 4.523 -3.040 476 H LEU 64 H LEU 64 6.047 2.818 -1.538 477 HA LEU 64 HA LEU 64 4.958 0.098 -2.200 478 HB2 LEU 64 HB2 LEU 64 3.769 2.231 -0.389 479 HB3 LEU 64 HB3 LEU 64 3.044 0.689 -0.781 480 HG LEU 64 HG LEU 64 3.709 0.293 1.321 481 HD11 LEU 64 HD11 LEU 64 4.919 -1.366 -0.149 482 HD12 LEU 64 HD12 LEU 64 6.387 -0.382 0.055 483 HD13 LEU 64 HD13 LEU 64 5.620 -1.137 1.466 484 HD21 LEU 64 HD21 LEU 64 4.680 2.479 1.746 485 HD22 LEU 64 HD22 LEU 64 5.747 1.225 2.396 486 HD23 LEU 64 HD23 LEU 64 6.164 2.033 0.876 487 H ASP 65 H ASP 65 4.203 0.230 -4.214 488 HA ASP 65 HA ASP 65 2.692 2.732 -4.985 489 HB2 ASP 65 HB2 ASP 65 3.870 0.483 -6.724 490 HB3 ASP 65 HB3 ASP 65 2.996 1.890 -7.330 491 H VAL 66 H VAL 66 0.849 2.716 -5.356 492 HA VAL 66 HA VAL 66 -0.732 0.352 -5.020 493 HB VAL 66 HB VAL 66 0.091 1.787 -2.788 494 HG11 VAL 66 HG11 VAL 66 -1.926 3.138 -3.236 495 HG12 VAL 66 HG12 VAL 66 -2.895 1.633 -3.219 496 HG13 VAL 66 HG13 VAL 66 -2.015 2.190 -1.760 497 HG21 VAL 66 HG21 VAL 66 -0.172 -0.467 -3.200 498 HG22 VAL 66 HG22 VAL 66 -0.882 0.080 -1.696 499 HG23 VAL 66 HG23 VAL 66 -1.924 -0.322 -3.101 500 H GLU 67 H GLU 67 -2.584 0.075 -5.535 501 HA GLU 67 HA GLU 67 -3.753 2.167 -7.287 502 HB2 GLU 67 HB2 GLU 67 -3.997 -0.783 -6.957 503 HB3 GLU 67 HB3 GLU 67 -5.459 0.069 -7.467 504 HG2 GLU 67 HG2 GLU 67 -4.578 0.708 -9.502 505 HG3 GLU 67 HG3 GLU 67 -2.915 0.717 -8.899 506 H LEU 68 H LEU 68 -5.585 3.209 -6.838 507 HA LEU 68 HA LEU 68 -6.768 2.687 -4.154 508 HB2 LEU 68 HB2 LEU 68 -6.022 5.201 -5.573 509 HB3 LEU 68 HB3 LEU 68 -7.499 5.217 -4.582 510 HG LEU 68 HG LEU 68 -6.088 4.211 -2.694 511 HD11 LEU 68 HD11 LEU 68 -4.164 3.507 -3.815 512 HD12 LEU 68 HD12 LEU 68 -3.911 5.088 -4.564 513 HD13 LEU 68 HD13 LEU 68 -3.678 4.882 -2.810 514 HD21 LEU 68 HD21 LEU 68 -5.311 6.401 -1.959 515 HD22 LEU 68 HD22 LEU 68 -5.487 7.030 -3.610 516 HD23 LEU 68 HD23 LEU 68 -6.920 6.509 -2.703 517 H GLY 69 H GLY 69 -8.820 3.204 -3.692 518 HA2 GLY 69 HA2 GLY 69 -10.797 3.805 -5.673 519 HA3 GLY 69 HA3 GLY 69 -10.783 2.057 -5.269 520 H ARG 70 H ARG 70 -12.999 3.421 -4.471 521 HA ARG 70 HA ARG 70 -12.530 3.983 -1.571 522 HB2 ARG 70 HB2 ARG 70 -14.905 4.751 -3.306 523 HB3 ARG 70 HB3 ARG 70 -14.629 5.219 -1.621 524 HG2 ARG 70 HG2 ARG 70 -12.563 6.469 -2.372 525 HG3 ARG 70 HG3 ARG 70 -12.978 6.061 -4.043 526 HD2 ARG 70 HD2 ARG 70 -15.315 7.153 -3.302 527 HD3 ARG 70 HD3 ARG 70 -14.238 8.035 -2.195 528 HE ARG 70 HE ARG 70 -13.062 8.095 -4.777 529 HH11 ARG 70 HH11 ARG 70 -15.937 9.406 -3.213 530 HH12 ARG 70 HH12 ARG 70 -16.050 10.736 -4.333 531 HH21 ARG 70 HH21 ARG 70 -13.272 9.826 -6.192 532 HH22 ARG 70 HH22 ARG 70 -14.565 10.975 -5.954 533 H THR 71 H THR 71 -13.775 2.727 -0.116 534 HA THR 71 HA THR 71 -14.775 0.255 -1.422 535 HB THR 71 HB THR 71 -14.573 -0.761 0.855 536 HG1 THR 71 HG1 THR 71 -14.777 1.317 1.946 537 HG21 THR 71 HG21 THR 71 -12.680 -0.737 -0.857 538 HG22 THR 71 HG22 THR 71 -11.988 0.629 0.055 539 HG23 THR 71 HG23 THR 71 -12.194 -0.961 0.831 540 H THR 72 H THR 72 -16.742 -0.640 -1.055 541 HA THR 72 HA THR 72 -18.848 1.259 -0.454 542 HB THR 72 HB THR 72 -20.291 -0.873 -0.691 543 HG1 THR 72 HG1 THR 72 -17.971 -2.019 -1.832 544 HG21 THR 72 HG21 THR 72 -19.899 -1.015 -3.131 545 HG22 THR 72 HG22 THR 72 -19.936 0.670 -2.570 546 HG23 THR 72 HG23 THR 72 -18.381 -0.111 -2.942 547 H CYS 73 H CYS 73 -17.159 -1.145 1.456 548 HA CYS 73 HA CYS 73 -19.148 -0.679 3.637 549 HB2 CYS 73 HB2 CYS 73 -17.505 -3.169 3.143 550 HB3 CYS 73 HB3 CYS 73 -18.653 -2.923 4.469 551 H THR 74 H THR 74 -18.201 -1.222 5.821 552 HA THR 74 HA THR 74 -15.532 0.076 6.096 553 HB THR 74 HB THR 74 -16.339 1.645 7.635 554 HG1 THR 74 HG1 THR 74 -18.452 1.290 8.655 555 HG21 THR 74 HG21 THR 74 -18.900 1.161 6.105 556 HG22 THR 74 HG22 THR 74 -18.339 2.665 6.878 557 HG23 THR 74 HG23 THR 74 -17.485 2.044 5.450 558 H LYS 75 H LYS 75 -15.000 0.065 8.531 559 HA LYS 75 HA LYS 75 -14.609 -2.574 9.399 560 HB2 LYS 75 HB2 LYS 75 -13.874 -1.436 11.515 561 HB3 LYS 75 HB3 LYS 75 -13.186 -0.703 10.057 562 HG2 LYS 75 HG2 LYS 75 -14.911 1.113 10.126 563 HG3 LYS 75 HG3 LYS 75 -15.610 0.372 11.577 564 HD2 LYS 75 HD2 LYS 75 -13.438 0.666 12.761 565 HD3 LYS 75 HD3 LYS 75 -12.815 1.523 11.333 566 HE2 LYS 75 HE2 LYS 75 -14.614 3.206 11.553 567 HE3 LYS 75 HE3 LYS 75 -15.263 2.336 12.958 568 HZ1 LYS 75 HZ1 LYS 75 -12.580 3.590 12.814 569 HZ2 LYS 75 HZ2 LYS 75 -13.878 4.191 13.634 570 HZ3 LYS 75 HZ3 LYS 75 -13.182 2.775 14.116 571 H THR 76 H THR 76 -17.331 -0.520 10.029 572 HA THR 76 HA THR 76 -18.301 -2.346 12.186 573 HB THR 76 HB THR 76 -20.058 -0.453 11.828 574 HG1 THR 76 HG1 THR 76 -19.161 1.473 11.249 575 HG21 THR 76 HG21 THR 76 -17.432 -0.035 13.314 576 HG22 THR 76 HG22 THR 76 -18.917 0.896 13.622 577 HG23 THR 76 HG23 THR 76 -18.871 -0.844 13.979 578 H GLN 77 H GLN 77 -18.738 -1.384 9.076 579 HA GLN 77 HA GLN 77 -21.516 -2.237 8.722 580 HB2 GLN 77 HB2 GLN 77 -19.400 -1.246 6.832 581 HB3 GLN 77 HB3 GLN 77 -20.912 -1.904 6.231 582 HG2 GLN 77 HG2 GLN 77 -20.624 0.474 8.099 583 HG3 GLN 77 HG3 GLN 77 -21.012 0.544 6.375 584 HE21 GLN 77 HE21 GLN 77 -22.365 0.912 9.279 585 HE22 GLN 77 HE22 GLN 77 -23.982 0.345 8.945 586 HA PRO 78 HA PRO 78 -20.682 -6.426 8.192 587 HB2 PRO 78 HB2 PRO 78 -22.664 -7.297 6.550 588 HB3 PRO 78 HB3 PRO 78 -23.018 -6.568 8.149 589 HG2 PRO 78 HG2 PRO 78 -23.010 -5.245 5.436 590 HG3 PRO 78 HG3 PRO 78 -24.308 -5.256 6.675 591 HD2 PRO 78 HD2 PRO 78 -22.534 -3.193 6.464 592 HD3 PRO 78 HD3 PRO 78 -23.149 -3.754 8.063 593 H ASN 79 H ASN 79 -20.401 -8.292 6.714 594 HA ASN 79 HA ASN 79 -19.386 -9.400 5.027 595 HB2 ASN 79 HB2 ASN 79 -20.439 -7.174 3.259 596 HB3 ASN 79 HB3 ASN 79 -20.005 -8.814 2.767 597 HD21 ASN 79 HD21 ASN 79 -22.528 -7.359 2.525 598 HD22 ASN 79 HD22 ASN 79 -23.713 -8.348 3.343 599 H LEU 80 H LEU 80 -17.442 -8.023 6.348 600 HA LEU 80 HA LEU 80 -15.846 -6.301 4.732 601 HB2 LEU 80 HB2 LEU 80 -15.326 -7.994 7.155 602 HB3 LEU 80 HB3 LEU 80 -13.952 -7.394 6.235 603 HG LEU 80 HG LEU 80 -15.006 -5.069 6.441 604 HD11 LEU 80 HD11 LEU 80 -16.354 -4.764 8.515 605 HD12 LEU 80 HD12 LEU 80 -17.203 -5.721 7.295 606 HD13 LEU 80 HD13 LEU 80 -16.454 -6.530 8.694 607 HD21 LEU 80 HD21 LEU 80 -12.947 -5.774 7.551 608 HD22 LEU 80 HD22 LEU 80 -13.918 -4.766 8.645 609 HD23 LEU 80 HD23 LEU 80 -13.882 -6.529 8.867 610 H ASP 81 H ASP 81 -16.331 -9.702 4.356 611 HA ASP 81 HA ASP 81 -13.729 -10.057 3.034 612 HB2 ASP 81 HB2 ASP 81 -16.012 -11.970 2.708 613 HB3 ASP 81 HB3 ASP 81 -14.289 -12.304 2.937 614 H ASN 82 H ASN 82 -17.136 -9.692 2.250 615 HA ASN 82 HA ASN 82 -16.697 -10.208 -0.584 616 HB2 ASN 82 HB2 ASN 82 -19.212 -9.223 0.793 617 HB3 ASN 82 HB3 ASN 82 -19.099 -9.958 -0.810 618 HD21 ASN 82 HD21 ASN 82 -17.805 -12.192 -0.638 619 HD22 ASN 82 HD22 ASN 82 -18.435 -13.245 0.604 620 H CYS 83 H CYS 83 -17.417 -7.283 1.376 621 HA CYS 83 HA CYS 83 -18.012 -5.703 -0.929 622 HB2 CYS 83 HB2 CYS 83 -16.851 -4.741 1.692 623 HB3 CYS 83 HB3 CYS 83 -17.652 -3.760 0.464 624 HA PRO 84 HA PRO 84 -13.628 -4.243 -1.193 625 HB2 PRO 84 HB2 PRO 84 -11.519 -5.529 -0.016 626 HB3 PRO 84 HB3 PRO 84 -12.414 -4.178 0.751 627 HG2 PRO 84 HG2 PRO 84 -12.737 -7.120 1.146 628 HG3 PRO 84 HG3 PRO 84 -12.612 -5.813 2.372 629 HD2 PRO 84 HD2 PRO 84 -14.980 -6.863 1.626 630 HD3 PRO 84 HD3 PRO 84 -14.792 -5.123 2.036 631 H PHE 85 H PHE 85 -14.196 -7.768 -0.974 632 HA PHE 85 HA PHE 85 -12.410 -8.520 -3.092 633 HB2 PHE 85 HB2 PHE 85 -13.536 -10.146 -1.623 634 HB3 PHE 85 HB3 PHE 85 -15.104 -9.682 -2.295 635 HD1 PHE 85 HD1 PHE 85 -11.863 -11.342 -3.048 636 HD2 PHE 85 HD2 PHE 85 -15.873 -10.553 -4.392 637 HE1 PHE 85 HE1 PHE 85 -11.588 -13.045 -4.846 638 HE2 PHE 85 HE2 PHE 85 -15.611 -12.253 -6.193 639 HZ PHE 85 HZ PHE 85 -13.467 -13.506 -6.423 640 H HIS 86 H HIS 86 -15.735 -7.211 -3.054 641 HA HIS 86 HA HIS 86 -15.960 -7.387 -5.981 642 HB2 HIS 86 HB2 HIS 86 -17.903 -7.648 -4.450 643 HB3 HIS 86 HB3 HIS 86 -17.692 -5.974 -3.921 644 HD1 HIS 86 HD1 HIS 86 -18.851 -8.003 -6.902 645 HD2 HIS 86 HD2 HIS 86 -18.607 -4.036 -5.677 646 HE1 HIS 86 HE1 HIS 86 -20.198 -6.651 -8.555 647 H ASP 87 H ASP 87 -15.049 -4.959 -3.599 648 HA ASP 87 HA ASP 87 -15.509 -2.625 -5.165 649 HB2 ASP 87 HB2 ASP 87 -13.544 -3.182 -2.914 650 HB3 ASP 87 HB3 ASP 87 -13.728 -1.592 -3.662 651 H GLN 88 H GLN 88 -12.580 -4.698 -4.826 652 HA GLN 88 HA GLN 88 -10.864 -3.090 -6.397 653 HB2 GLN 88 HB2 GLN 88 -10.983 -5.990 -5.731 654 HB3 GLN 88 HB3 GLN 88 -9.932 -5.498 -7.062 655 HG2 GLN 88 HG2 GLN 88 -8.768 -3.985 -5.658 656 HG3 GLN 88 HG3 GLN 88 -9.855 -4.334 -4.303 657 HE21 GLN 88 HE21 GLN 88 -9.448 -6.043 -3.004 658 HE22 GLN 88 HE22 GLN 88 -8.142 -7.173 -3.262 659 HA PRO 89 HA PRO 89 -12.039 -5.125 -10.357 660 HB2 PRO 89 HB2 PRO 89 -14.301 -6.667 -10.673 661 HB3 PRO 89 HB3 PRO 89 -12.718 -7.353 -10.180 662 HG2 PRO 89 HG2 PRO 89 -15.016 -6.492 -8.405 663 HG3 PRO 89 HG3 PRO 89 -14.148 -8.059 -8.424 664 HD2 PRO 89 HD2 PRO 89 -13.495 -6.161 -6.696 665 HD3 PRO 89 HD3 PRO 89 -12.228 -7.138 -7.502 666 H HIS 90 H HIS 90 -14.444 -3.732 -8.224 667 HA HIS 90 HA HIS 90 -16.269 -2.845 -10.286 668 HB2 HIS 90 HB2 HIS 90 -16.584 -2.976 -7.694 669 HB3 HIS 90 HB3 HIS 90 -15.854 -1.370 -7.696 670 HD1 HIS 90 HD1 HIS 90 -19.062 -3.080 -8.090 671 HD2 HIS 90 HD2 HIS 90 -17.383 0.488 -9.408 672 HE1 HIS 90 HE1 HIS 90 -20.974 -1.614 -8.843 673 H LEU 91 H LEU 91 -13.152 -1.727 -9.095 674 HA LEU 91 HA LEU 91 -13.464 0.969 -10.144 675 HB2 LEU 91 HB2 LEU 91 -11.242 -0.645 -8.992 676 HB3 LEU 91 HB3 LEU 91 -10.820 0.729 -9.994 677 HG LEU 91 HG LEU 91 -10.745 1.284 -7.630 678 HD11 LEU 91 HD11 LEU 91 -13.003 2.761 -9.025 679 HD12 LEU 91 HD12 LEU 91 -11.940 3.378 -7.743 680 HD13 LEU 91 HD13 LEU 91 -11.264 3.003 -9.336 681 HD21 LEU 91 HD21 LEU 91 -12.482 -0.143 -6.716 682 HD22 LEU 91 HD22 LEU 91 -12.805 1.544 -6.298 683 HD23 LEU 91 HD23 LEU 91 -13.739 0.762 -7.587 684 H LYS 92 H LYS 92 -14.174 0.757 -12.227 685 HA LYS 92 HA LYS 92 -12.527 -0.531 -14.275 686 HB2 LYS 92 HB2 LYS 92 -14.475 1.728 -14.797 687 HB3 LYS 92 HB3 LYS 92 -14.055 0.371 -15.846 688 HG2 LYS 92 HG2 LYS 92 -15.745 0.269 -13.309 689 HG3 LYS 92 HG3 LYS 92 -16.343 0.140 -14.959 690 HD2 LYS 92 HD2 LYS 92 -15.357 -2.032 -15.255 691 HD3 LYS 92 HD3 LYS 92 -14.380 -1.872 -13.779 692 HE2 LYS 92 HE2 LYS 92 -16.425 -1.769 -12.418 693 HE3 LYS 92 HE3 LYS 92 -17.409 -2.002 -13.878 694 HZ1 LYS 92 HZ1 LYS 92 -16.256 -4.147 -14.168 695 HZ2 LYS 92 HZ2 LYS 92 -15.449 -3.912 -12.742 696 HZ3 LYS 92 HZ3 LYS 92 -17.091 -4.079 -12.745 697 H ARG 93 H ARG 93 -12.831 2.512 -12.646 698 HA ARG 93 HA ARG 93 -11.069 4.132 -14.256 699 HB2 ARG 93 HB2 ARG 93 -12.683 5.036 -12.558 700 HB3 ARG 93 HB3 ARG 93 -11.804 4.185 -11.293 701 HG2 ARG 93 HG2 ARG 93 -10.961 6.266 -10.983 702 HG3 ARG 93 HG3 ARG 93 -9.760 5.665 -12.131 703 HD2 ARG 93 HD2 ARG 93 -10.895 6.798 -13.968 704 HD3 ARG 93 HD3 ARG 93 -12.233 7.261 -12.901 705 HE ARG 93 HE ARG 93 -9.603 8.524 -13.088 706 HH11 ARG 93 HH11 ARG 93 -12.474 8.190 -11.027 707 HH12 ARG 93 HH12 ARG 93 -12.107 9.673 -10.164 708 HH21 ARG 93 HH21 ARG 93 -9.283 10.409 -11.939 709 HH22 ARG 93 HH22 ARG 93 -10.403 10.863 -10.666 710 H LYS 94 H LYS 94 -8.859 4.038 -14.321 711 HA LYS 94 HA LYS 94 -7.517 2.158 -12.433 712 HB2 LYS 94 HB2 LYS 94 -6.482 3.432 -15.003 713 HB3 LYS 94 HB3 LYS 94 -5.680 2.171 -14.047 714 HG2 LYS 94 HG2 LYS 94 -7.683 0.700 -14.478 715 HG3 LYS 94 HG3 LYS 94 -8.293 1.947 -15.580 716 HD2 LYS 94 HD2 LYS 94 -6.123 1.736 -16.865 717 HD3 LYS 94 HD3 LYS 94 -5.764 0.310 -15.865 718 HE2 LYS 94 HE2 LYS 94 -8.153 0.722 -17.715 719 HE3 LYS 94 HE3 LYS 94 -6.810 -0.415 -17.952 720 HZ1 LYS 94 HZ1 LYS 94 -8.757 -1.538 -17.076 721 HZ2 LYS 94 HZ2 LYS 94 -7.563 -1.579 -15.937 722 HZ3 LYS 94 HZ3 LYS 94 -8.826 -0.531 -15.771 723 H ALA 95 H ALA 95 -6.508 3.088 -10.733 724 HA ALA 95 HA ALA 95 -5.500 5.859 -11.007 725 HB1 ALA 95 HB1 ALA 95 -7.419 5.022 -8.801 726 HB2 ALA 95 HB2 ALA 95 -6.842 6.656 -9.193 727 HB3 ALA 95 HB3 ALA 95 -7.952 5.837 -10.292 728 H PHE 96 H PHE 96 -3.505 5.901 -10.133 729 HA PHE 96 HA PHE 96 -2.950 4.126 -7.845 730 HB2 PHE 96 HB2 PHE 96 -0.954 3.374 -8.661 731 HB3 PHE 96 HB3 PHE 96 -1.964 3.403 -10.109 732 HD1 PHE 96 HD1 PHE 96 -1.650 5.271 -11.793 733 HD2 PHE 96 HD2 PHE 96 0.995 4.731 -8.438 734 HE1 PHE 96 HE1 PHE 96 0.037 6.740 -12.890 735 HE2 PHE 96 HE2 PHE 96 2.687 6.191 -9.526 736 HZ PHE 96 HZ PHE 96 2.210 7.207 -11.756 737 H CYS 97 H CYS 97 -1.737 4.751 -6.230 738 HA CYS 97 HA CYS 97 -0.533 7.479 -6.177 739 HB2 CYS 97 HB2 CYS 97 -1.522 5.583 -4.009 740 HB3 CYS 97 HB3 CYS 97 -0.601 7.064 -3.674 741 H SER 98 H SER 98 1.519 7.599 -5.037 742 HA SER 98 HA SER 98 2.971 4.993 -4.731 743 HB2 SER 98 HB2 SER 98 4.141 7.568 -5.865 744 HB3 SER 98 HB3 SER 98 5.039 6.092 -5.493 745 HG SER 98 HG SER 98 4.075 5.041 -7.128 746 H PHE 99 H PHE 99 3.528 4.775 -2.677 747 HA PHE 99 HA PHE 99 3.976 7.273 -1.083 748 HB2 PHE 99 HB2 PHE 99 3.154 4.505 -0.125 749 HB3 PHE 99 HB3 PHE 99 3.317 5.959 0.866 750 HD1 PHE 99 HD1 PHE 99 1.897 8.057 -0.423 751 HD2 PHE 99 HD2 PHE 99 0.945 3.860 -0.406 752 HE1 PHE 99 HE1 PHE 99 -0.485 8.601 -0.878 753 HE2 PHE 99 HE2 PHE 99 -1.452 4.401 -0.823 754 HZ PHE 99 HZ PHE 99 -2.172 6.777 -1.059 755 H GLN 100 H GLN 100 5.947 7.532 -0.219 756 HA GLN 100 HA GLN 100 7.793 5.155 -0.276 757 HB2 GLN 100 HB2 GLN 100 8.339 6.781 -2.071 758 HB3 GLN 100 HB3 GLN 100 8.447 8.056 -0.855 759 HG2 GLN 100 HG2 GLN 100 10.295 6.796 0.245 760 HG3 GLN 100 HG3 GLN 100 10.252 5.646 -1.097 761 HE21 GLN 100 HE21 GLN 100 12.216 7.746 -0.047 762 HE22 GLN 100 HE22 GLN 100 12.641 8.668 -1.476 763 H ILE 101 H ILE 101 7.992 4.593 1.808 764 HA ILE 101 HA ILE 101 8.096 6.774 3.843 765 HB ILE 101 HB ILE 101 7.948 3.750 4.229 766 HG12 ILE 101 HG12 ILE 101 5.775 5.847 4.640 767 HG13 ILE 101 HG13 ILE 101 5.884 4.815 3.212 768 HG21 ILE 101 HG21 ILE 101 9.072 4.942 6.090 769 HG22 ILE 101 HG22 ILE 101 7.681 6.048 6.229 770 HG23 ILE 101 HG23 ILE 101 7.498 4.318 6.601 771 HD11 ILE 101 HD11 ILE 101 4.229 3.896 4.718 772 HD12 ILE 101 HD12 ILE 101 5.625 2.799 4.681 773 HD13 ILE 101 HD13 ILE 101 5.378 3.889 6.068 774 H TYR 102 H TYR 102 10.059 7.511 4.373 775 HA TYR 102 HA TYR 102 12.423 5.811 3.777 776 HB2 TYR 102 HB2 TYR 102 12.592 8.166 3.160 777 HB3 TYR 102 HB3 TYR 102 12.114 8.662 4.793 778 HD1 TYR 102 HD1 TYR 102 13.802 9.202 6.339 779 HD2 TYR 102 HD2 TYR 102 14.739 6.572 3.072 780 HE1 TYR 102 HE1 TYR 102 16.194 9.163 7.042 781 HE2 TYR 102 HE2 TYR 102 17.119 6.535 3.785 782 HH TYR 102 HH TYR 102 18.294 8.353 6.617 783 H ALA 103 H ALA 103 13.269 4.570 5.362 784 HA ALA 103 HA ALA 103 12.320 5.044 8.111 785 HB1 ALA 103 HB1 ALA 103 11.899 2.838 7.093 786 HB2 ALA 103 HB2 ALA 103 13.664 2.642 6.944 787 HB3 ALA 103 HB3 ALA 103 12.923 2.811 8.555 788 H VAL 104 H VAL 104 13.760 5.540 9.644 789 HA VAL 104 HA VAL 104 16.396 6.397 8.509 790 HB VAL 104 HB VAL 104 15.492 7.108 11.292 791 HG11 VAL 104 HG11 VAL 104 17.428 8.032 10.262 792 HG12 VAL 104 HG12 VAL 104 16.334 8.848 9.109 793 HG13 VAL 104 HG13 VAL 104 16.226 9.215 10.836 794 HG21 VAL 104 HG21 VAL 104 13.889 7.974 8.963 795 HG22 VAL 104 HG22 VAL 104 13.439 7.090 10.443 796 HG23 VAL 104 HG23 VAL 104 13.899 8.787 10.552 797 HA PRO 105 HA PRO 105 16.383 2.892 10.930 798 HB2 PRO 105 HB2 PRO 105 18.777 1.524 10.471 799 HB3 PRO 105 HB3 PRO 105 17.426 1.538 9.288 800 HG2 PRO 105 HG2 PRO 105 19.877 3.305 9.375 801 HG3 PRO 105 HG3 PRO 105 19.217 2.371 7.996 802 HD2 PRO 105 HD2 PRO 105 18.679 5.029 8.346 803 HD3 PRO 105 HD3 PRO 105 17.469 3.894 7.651 804 H TRP 106 H TRP 106 19.028 5.101 10.891 805 HA TRP 106 HA TRP 106 20.536 4.397 13.164 806 HB2 TRP 106 HB2 TRP 106 21.206 6.008 11.434 807 HB3 TRP 106 HB3 TRP 106 19.903 7.096 11.920 808 HD1 TRP 106 HD1 TRP 106 22.706 5.376 14.026 809 HE1 TRP 106 HE1 TRP 106 23.863 7.117 15.472 810 HE3 TRP 106 HE3 TRP 106 20.114 9.476 12.397 811 HZ2 TRP 106 HZ2 TRP 106 23.675 9.932 15.904 812 HZ3 TRP 106 HZ3 TRP 106 20.650 11.708 13.395 813 HH2 TRP 106 HH2 TRP 106 22.418 11.918 15.141 814 H GLN 107 H GLN 107 17.350 5.822 12.974 815 HA GLN 107 HA GLN 107 17.512 6.426 15.898 816 HB2 GLN 107 HB2 GLN 107 15.947 7.818 13.717 817 HB3 GLN 107 HB3 GLN 107 15.765 8.154 15.443 818 HG2 GLN 107 HG2 GLN 107 18.393 8.449 13.944 819 HG3 GLN 107 HG3 GLN 107 17.231 9.761 14.145 820 HE21 GLN 107 HE21 GLN 107 19.651 7.787 15.715 821 HE22 GLN 107 HE22 GLN 107 19.698 8.717 17.195 822 H GLY 108 H GLY 108 16.298 4.157 13.802 823 HA2 GLY 108 HA2 GLY 108 14.722 2.506 14.166 824 HA3 GLY 108 HA3 GLY 108 14.594 3.088 15.837 825 H THR 109 H THR 109 14.036 5.100 13.075 826 HA THR 109 HA THR 109 11.112 5.265 13.691 827 HB THR 109 HB THR 109 11.638 7.711 12.755 828 HG1 THR 109 HG1 THR 109 13.979 7.339 14.239 829 HG21 THR 109 HG21 THR 109 12.298 6.848 15.612 830 HG22 THR 109 HG22 THR 109 11.938 8.512 15.089 831 HG23 THR 109 HG23 THR 109 10.679 7.260 14.994 832 H MET 110 H MET 110 9.904 6.210 11.797 833 HA MET 110 HA MET 110 11.473 6.263 9.300 834 HB2 MET 110 HB2 MET 110 9.961 4.738 8.104 835 HB3 MET 110 HB3 MET 110 10.607 3.885 9.501 836 HG2 MET 110 HG2 MET 110 8.454 4.318 10.704 837 HG3 MET 110 HG3 MET 110 7.818 5.034 9.207 838 HE1 MET 110 HE1 MET 110 6.078 2.800 10.269 839 HE2 MET 110 HE2 MET 110 5.893 3.470 8.633 840 HE3 MET 110 HE3 MET 110 5.910 1.709 8.872 841 H THR 111 H THR 111 10.131 7.423 7.611 842 HA THR 111 HA THR 111 7.722 8.870 8.592 843 HB THR 111 HB THR 111 10.335 10.186 7.690 844 HG1 THR 111 HG1 THR 111 9.215 9.606 10.140 845 HG21 THR 111 HG21 THR 111 8.519 11.488 6.847 846 HG22 THR 111 HG22 THR 111 7.641 11.372 8.398 847 HG23 THR 111 HG23 THR 111 9.151 12.306 8.294 848 H LEU 112 H LEU 112 6.385 9.535 6.829 849 HA LEU 112 HA LEU 112 6.921 8.420 4.255 850 HB2 LEU 112 HB2 LEU 112 4.717 9.069 5.325 851 HB3 LEU 112 HB3 LEU 112 5.073 10.726 4.915 852 HG LEU 112 HG LEU 112 4.981 10.126 2.511 853 HD11 LEU 112 HD11 LEU 112 4.054 7.895 1.898 854 HD12 LEU 112 HD12 LEU 112 5.664 7.780 2.627 855 HD13 LEU 112 HD13 LEU 112 4.228 7.382 3.596 856 HD21 LEU 112 HD21 LEU 112 2.961 10.899 3.712 857 HD22 LEU 112 HD22 LEU 112 2.532 9.702 2.473 858 HD23 LEU 112 HD23 LEU 112 2.587 9.221 4.179 859 H SER 113 H SER 113 8.392 9.053 2.882 860 HA SER 113 HA SER 113 9.541 11.776 2.997 861 HB2 SER 113 HB2 SER 113 11.031 9.825 2.926 862 HB3 SER 113 HB3 SER 113 10.282 9.287 1.411 863 HG SER 113 HG SER 113 10.990 11.787 1.024 864 H LYS 114 H LYS 114 7.521 9.739 0.922 865 HA LYS 114 HA LYS 114 6.920 12.136 -0.689 866 HB2 LYS 114 HB2 LYS 114 8.077 11.543 -2.499 867 HB3 LYS 114 HB3 LYS 114 8.690 10.108 -1.688 868 HG2 LYS 114 HG2 LYS 114 6.774 8.785 -2.496 869 HG3 LYS 114 HG3 LYS 114 6.058 10.222 -3.242 870 HD2 LYS 114 HD2 LYS 114 8.819 9.273 -4.003 871 HD3 LYS 114 HD3 LYS 114 7.356 8.590 -4.742 872 HE2 LYS 114 HE2 LYS 114 6.636 10.873 -5.418 873 HE3 LYS 114 HE3 LYS 114 8.138 11.534 -4.735 874 HZ1 LYS 114 HZ1 LYS 114 7.976 9.575 -6.951 875 HZ2 LYS 114 HZ2 LYS 114 8.336 11.178 -7.108 876 HZ3 LYS 114 HZ3 LYS 114 9.373 10.172 -6.310 877 H SER 115 H SER 115 4.911 12.122 -1.544 878 HA SER 115 HA SER 115 3.306 9.668 -1.548 879 HB2 SER 115 HB2 SER 115 1.558 11.574 -0.488 880 HB3 SER 115 HB3 SER 115 2.258 10.212 0.409 881 HG SER 115 HG SER 115 2.644 12.232 1.441 882 H THR 116 H THR 116 2.653 9.672 -3.522 883 HA THR 116 HA THR 116 1.762 12.273 -4.734 884 HB THR 116 HB THR 116 3.975 10.969 -5.668 885 HG1 THR 116 HG1 THR 116 2.065 11.939 -7.524 886 HG21 THR 116 HG21 THR 116 1.650 9.782 -7.285 887 HG22 THR 116 HG22 THR 116 3.398 9.536 -7.553 888 HG23 THR 116 HG23 THR 116 2.622 8.891 -6.095 889 H CYS 117 H CYS 117 -0.171 11.874 -6.076 890 HA CYS 117 HA CYS 117 -1.323 9.215 -5.742 891 HB2 CYS 117 HB2 CYS 117 -2.055 11.522 -4.098 892 HB3 CYS 117 HB3 CYS 117 -3.438 10.763 -4.889 893 H GLN 118 H GLN 118 -3.685 9.366 -6.399 894 HA GLN 118 HA GLN 118 -3.687 10.359 -9.193 895 HB2 GLN 118 HB2 GLN 118 -5.681 8.604 -9.148 896 HB3 GLN 118 HB3 GLN 118 -4.004 8.086 -9.297 897 HG2 GLN 118 HG2 GLN 118 -4.903 6.613 -7.696 898 HG3 GLN 118 HG3 GLN 118 -4.007 7.738 -6.723 899 HE21 GLN 118 HE21 GLN 118 -5.232 9.146 -5.304 900 HE22 GLN 118 HE22 GLN 118 -6.915 8.852 -4.984 901 H ASP 119 H ASP 119 -5.704 11.023 -10.102 902 HA ASP 119 HA ASP 119 -7.076 12.998 -8.586 903 HB2 ASP 119 HB2 ASP 119 -7.935 11.564 -11.113 904 HB3 ASP 119 HB3 ASP 119 -8.542 13.127 -10.547 905 H ALA 120 H ALA 120 -9.216 13.039 -7.834 906 HA ALA 120 HA ALA 120 -10.089 10.614 -6.577 907 HB1 ALA 120 HB1 ALA 120 -11.919 12.012 -5.693 908 HB2 ALA 120 HB2 ALA 120 -10.371 12.878 -5.569 909 HB3 ALA 120 HB3 ALA 120 -11.526 13.294 -6.862 Start of MODEL 13 1 H1 SER 1 H1 SER 1 -2.908 -17.867 6.017 2 H2 SER 1 H2 SER 1 -3.761 -18.053 4.656 3 H3 SER 1 H3 SER 1 -2.432 -17.132 4.657 4 HA SER 1 HA SER 1 -2.475 -20.052 5.080 5 HB2 SER 1 HB2 SER 1 -1.414 -18.400 2.750 6 HB3 SER 1 HB3 SER 1 -1.379 -20.174 2.882 7 HG SER 1 HG SER 1 -3.170 -19.352 1.644 8 H SER 2 H SER 2 0.013 -20.790 4.487 9 HA SER 2 HA SER 2 1.720 -19.434 6.421 10 HB2 SER 2 HB2 SER 2 2.064 -21.837 5.865 11 HB3 SER 2 HB3 SER 2 2.396 -21.399 4.176 12 HG SER 2 HG SER 2 4.270 -20.435 4.787 13 HA PRO 3 HA PRO 3 2.259 -16.320 3.413 14 HB2 PRO 3 HB2 PRO 3 4.332 -14.835 4.357 15 HB3 PRO 3 HB3 PRO 3 2.720 -14.856 5.144 16 HG2 PRO 3 HG2 PRO 3 5.178 -16.448 5.856 17 HG3 PRO 3 HG3 PRO 3 4.140 -15.444 6.918 18 HD2 PRO 3 HD2 PRO 3 3.819 -18.123 6.742 19 HD3 PRO 3 HD3 PRO 3 2.405 -17.020 6.906 20 H GLY 4 H GLY 4 3.234 -15.980 1.501 21 HA2 GLY 4 HA2 GLY 4 5.630 -17.654 0.922 22 HA3 GLY 4 HA3 GLY 4 4.567 -16.862 -0.264 23 H LYS 5 H LYS 5 7.383 -16.585 -0.474 24 HA LYS 5 HA LYS 5 7.561 -13.693 -0.284 25 HB2 LYS 5 HB2 LYS 5 9.739 -13.783 1.049 26 HB3 LYS 5 HB3 LYS 5 8.227 -13.952 1.907 27 HG2 LYS 5 HG2 LYS 5 8.713 -16.564 1.665 28 HG3 LYS 5 HG3 LYS 5 10.374 -15.985 1.464 29 HD2 LYS 5 HD2 LYS 5 10.328 -16.184 3.751 30 HD3 LYS 5 HD3 LYS 5 9.721 -14.523 3.622 31 HE2 LYS 5 HE2 LYS 5 7.971 -17.024 3.848 32 HE3 LYS 5 HE3 LYS 5 8.406 -15.976 5.204 33 HZ1 LYS 5 HZ1 LYS 5 6.763 -15.193 2.867 34 HZ2 LYS 5 HZ2 LYS 5 6.233 -15.422 4.407 35 HZ3 LYS 5 HZ3 LYS 5 7.230 -14.152 4.049 36 HA PRO 6 HA PRO 6 10.349 -14.516 -3.652 37 HB2 PRO 6 HB2 PRO 6 11.390 -12.032 -4.025 38 HB3 PRO 6 HB3 PRO 6 9.650 -12.357 -4.316 39 HG2 PRO 6 HG2 PRO 6 10.994 -11.232 -1.893 40 HG3 PRO 6 HG3 PRO 6 9.610 -10.579 -2.825 41 HD2 PRO 6 HD2 PRO 6 9.292 -12.021 -0.562 42 HD3 PRO 6 HD3 PRO 6 8.131 -12.119 -1.931 43 HA PRO 7 HA PRO 7 14.379 -15.070 -1.874 44 HB2 PRO 7 HB2 PRO 7 16.222 -14.210 -3.726 45 HB3 PRO 7 HB3 PRO 7 15.288 -15.730 -3.916 46 HG2 PRO 7 HG2 PRO 7 14.701 -13.005 -5.060 47 HG3 PRO 7 HG3 PRO 7 14.800 -14.585 -5.905 48 HD2 PRO 7 HD2 PRO 7 12.435 -13.581 -5.171 49 HD3 PRO 7 HD3 PRO 7 12.772 -15.334 -4.962 50 H ARG 8 H ARG 8 16.036 -13.951 -0.728 51 HA ARG 8 HA ARG 8 15.228 -11.342 0.109 52 HB2 ARG 8 HB2 ARG 8 16.418 -13.213 1.410 53 HB3 ARG 8 HB3 ARG 8 17.919 -12.593 0.711 54 HG2 ARG 8 HG2 ARG 8 17.497 -10.388 1.756 55 HG3 ARG 8 HG3 ARG 8 15.965 -10.981 2.416 56 HD2 ARG 8 HD2 ARG 8 18.692 -12.168 3.053 57 HD3 ARG 8 HD3 ARG 8 17.865 -10.959 4.055 58 HE ARG 8 HE ARG 8 16.071 -13.101 3.670 59 HH11 ARG 8 HH11 ARG 8 19.150 -12.553 5.312 60 HH12 ARG 8 HH12 ARG 8 18.834 -13.777 6.511 61 HH21 ARG 8 HH21 ARG 8 15.735 -14.641 5.245 62 HH22 ARG 8 HH22 ARG 8 16.940 -14.937 6.469 63 H LEU 9 H LEU 9 17.437 -12.262 -2.404 64 HA LEU 9 HA LEU 9 18.985 -11.046 -3.653 65 HB2 LEU 9 HB2 LEU 9 16.776 -9.013 -3.266 66 HB3 LEU 9 HB3 LEU 9 17.990 -8.938 -4.535 67 HG LEU 9 HG LEU 9 15.970 -11.190 -4.310 68 HD11 LEU 9 HD11 LEU 9 14.744 -9.134 -4.614 69 HD12 LEU 9 HD12 LEU 9 15.838 -8.617 -5.920 70 HD13 LEU 9 HD13 LEU 9 14.764 -10.020 -6.149 71 HD21 LEU 9 HD21 LEU 9 17.971 -11.742 -5.629 72 HD22 LEU 9 HD22 LEU 9 16.558 -11.567 -6.687 73 HD23 LEU 9 HD23 LEU 9 17.761 -10.261 -6.592 74 H VAL 10 H VAL 10 19.908 -11.097 -1.389 75 HA VAL 10 HA VAL 10 20.666 -8.641 -0.234 76 HB VAL 10 HB VAL 10 21.579 -11.479 -0.419 77 HG11 VAL 10 HG11 VAL 10 23.452 -10.977 1.055 78 HG12 VAL 10 HG12 VAL 10 23.592 -10.424 -0.627 79 HG13 VAL 10 HG13 VAL 10 23.225 -9.251 0.669 80 HG21 VAL 10 HG21 VAL 10 19.767 -10.660 1.079 81 HG22 VAL 10 HG22 VAL 10 21.119 -11.442 1.948 82 HG23 VAL 10 HG23 VAL 10 20.968 -9.665 1.939 83 H GLY 11 H GLY 11 22.037 -7.108 -0.937 84 HA2 GLY 11 HA2 GLY 11 24.202 -6.653 -2.077 85 HA3 GLY 11 HA3 GLY 11 23.634 -7.686 -3.396 86 H GLY 12 H GLY 12 20.807 -6.416 -2.832 87 HA2 GLY 12 HA2 GLY 12 21.222 -3.653 -3.687 88 HA3 GLY 12 HA3 GLY 12 20.663 -4.733 -4.978 89 HA PRO 13 HA PRO 13 16.909 -3.185 -2.644 90 HB2 PRO 13 HB2 PRO 13 15.860 -3.227 -5.462 91 HB3 PRO 13 HB3 PRO 13 15.664 -1.966 -4.203 92 HG2 PRO 13 HG2 PRO 13 17.262 -1.551 -6.262 93 HG3 PRO 13 HG3 PRO 13 17.778 -1.094 -4.611 94 HD2 PRO 13 HD2 PRO 13 18.521 -3.544 -6.196 95 HD3 PRO 13 HD3 PRO 13 19.579 -2.403 -5.287 96 H MET 14 H MET 14 15.061 -4.488 -2.212 97 HA MET 14 HA MET 14 14.792 -6.979 -3.835 98 HB2 MET 14 HB2 MET 14 14.562 -8.335 -1.873 99 HB3 MET 14 HB3 MET 14 16.065 -7.422 -1.700 100 HG2 MET 14 HG2 MET 14 14.870 -5.812 -0.209 101 HG3 MET 14 HG3 MET 14 13.419 -6.811 -0.337 102 HE1 MET 14 HE1 MET 14 13.127 -7.138 2.226 103 HE2 MET 14 HE2 MET 14 14.461 -7.561 3.326 104 HE3 MET 14 HE3 MET 14 14.488 -6.010 2.454 105 H ASP 15 H ASP 15 12.666 -7.507 -4.291 106 HA ASP 15 HA ASP 15 10.589 -5.688 -3.275 107 HB2 ASP 15 HB2 ASP 15 10.612 -8.000 -5.217 108 HB3 ASP 15 HB3 ASP 15 9.094 -7.467 -4.476 109 H ALA 16 H ALA 16 8.978 -6.420 -1.735 110 HA ALA 16 HA ALA 16 9.618 -9.043 -0.420 111 HB1 ALA 16 HB1 ALA 16 8.803 -7.949 1.681 112 HB2 ALA 16 HB2 ALA 16 10.364 -7.329 1.085 113 HB3 ALA 16 HB3 ALA 16 8.874 -6.394 0.823 114 H SER 17 H SER 17 7.664 -9.907 0.583 115 HA SER 17 HA SER 17 5.514 -9.665 -1.439 116 HB2 SER 17 HB2 SER 17 4.638 -11.668 -0.592 117 HB3 SER 17 HB3 SER 17 6.389 -11.871 -0.371 118 HG SER 17 HG SER 17 5.913 -12.160 1.655 119 H VAL 18 H VAL 18 3.209 -9.439 -0.786 120 HA VAL 18 HA VAL 18 2.874 -7.186 0.980 121 HB VAL 18 HB VAL 18 0.482 -7.406 0.511 122 HG11 VAL 18 HG11 VAL 18 2.050 -8.153 -1.986 123 HG12 VAL 18 HG12 VAL 18 0.525 -7.244 -1.905 124 HG13 VAL 18 HG13 VAL 18 2.019 -6.526 -1.265 125 HG21 VAL 18 HG21 VAL 18 1.160 -10.131 -0.722 126 HG22 VAL 18 HG22 VAL 18 0.199 -9.849 0.749 127 HG23 VAL 18 HG23 VAL 18 -0.415 -9.315 -0.826 128 H GLU 19 H GLU 19 3.169 -10.503 1.493 129 HA GLU 19 HA GLU 19 1.593 -10.577 3.962 130 HB2 GLU 19 HB2 GLU 19 3.269 -12.526 2.389 131 HB3 GLU 19 HB3 GLU 19 2.671 -12.901 4.016 132 HG2 GLU 19 HG2 GLU 19 0.349 -12.467 3.219 133 HG3 GLU 19 HG3 GLU 19 0.986 -12.230 1.583 134 H GLU 20 H GLU 20 4.929 -9.947 2.918 135 HA GLU 20 HA GLU 20 6.067 -10.444 5.407 136 HB2 GLU 20 HB2 GLU 20 7.044 -8.836 3.159 137 HB3 GLU 20 HB3 GLU 20 7.679 -8.421 4.763 138 HG2 GLU 20 HG2 GLU 20 9.077 -10.004 4.041 139 HG3 GLU 20 HG3 GLU 20 7.939 -10.801 5.157 140 H GLU 21 H GLU 21 6.774 -9.673 7.052 141 HA GLU 21 HA GLU 21 5.042 -8.043 8.320 142 HB2 GLU 21 HB2 GLU 21 7.905 -8.618 9.016 143 HB3 GLU 21 HB3 GLU 21 6.745 -7.914 10.150 144 HG2 GLU 21 HG2 GLU 21 5.391 -9.929 10.090 145 HG3 GLU 21 HG3 GLU 21 6.428 -10.631 8.834 146 H GLY 22 H GLY 22 8.100 -7.341 6.819 147 HA2 GLY 22 HA2 GLY 22 8.252 -4.594 7.622 148 HA3 GLY 22 HA3 GLY 22 9.161 -5.357 6.307 149 H VAL 23 H VAL 23 6.415 -6.215 5.077 150 HA VAL 23 HA VAL 23 5.992 -3.637 3.699 151 HB VAL 23 HB VAL 23 4.836 -6.405 3.165 152 HG11 VAL 23 HG11 VAL 23 3.245 -4.836 2.370 153 HG12 VAL 23 HG12 VAL 23 4.500 -3.778 1.689 154 HG13 VAL 23 HG13 VAL 23 4.165 -5.367 0.962 155 HG21 VAL 23 HG21 VAL 23 6.958 -4.748 1.763 156 HG22 VAL 23 HG22 VAL 23 7.205 -6.273 2.657 157 HG23 VAL 23 HG23 VAL 23 6.289 -6.267 1.143 158 H ARG 24 H ARG 24 4.116 -6.055 5.639 159 HA ARG 24 HA ARG 24 1.639 -4.737 5.470 160 HB2 ARG 24 HB2 ARG 24 2.832 -6.325 7.757 161 HB3 ARG 24 HB3 ARG 24 1.144 -5.809 7.654 162 HG2 ARG 24 HG2 ARG 24 1.076 -7.021 5.387 163 HG3 ARG 24 HG3 ARG 24 2.607 -7.768 5.865 164 HD2 ARG 24 HD2 ARG 24 0.823 -9.258 6.443 165 HD3 ARG 24 HD3 ARG 24 1.520 -8.593 7.932 166 HE ARG 24 HE ARG 24 -0.463 -7.456 8.368 167 HH11 ARG 24 HH11 ARG 24 -0.641 -8.725 5.073 168 HH12 ARG 24 HH12 ARG 24 -2.332 -8.328 4.920 169 HH21 ARG 24 HH21 ARG 24 -2.597 -6.941 8.079 170 HH22 ARG 24 HH22 ARG 24 -3.416 -7.336 6.595 171 H ARG 25 H ARG 25 4.287 -4.116 7.815 172 HA ARG 25 HA ARG 25 2.765 -2.164 9.258 173 HB2 ARG 25 HB2 ARG 25 4.820 -1.409 10.182 174 HB3 ARG 25 HB3 ARG 25 4.842 -3.170 10.095 175 HG2 ARG 25 HG2 ARG 25 6.956 -2.834 9.342 176 HG3 ARG 25 HG3 ARG 25 6.142 -2.629 7.784 177 HD2 ARG 25 HD2 ARG 25 7.770 -0.831 8.130 178 HD3 ARG 25 HD3 ARG 25 6.139 -0.159 8.123 179 HE ARG 25 HE ARG 25 7.827 -0.577 10.552 180 HH11 ARG 25 HH11 ARG 25 5.137 1.146 8.999 181 HH12 ARG 25 HH12 ARG 25 5.007 2.277 10.314 182 HH21 ARG 25 HH21 ARG 25 7.551 0.893 12.187 183 HH22 ARG 25 HH22 ARG 25 6.324 2.124 12.079 184 H ALA 26 H ALA 26 4.382 -1.953 6.202 185 HA ALA 26 HA ALA 26 4.463 0.954 6.177 186 HB1 ALA 26 HB1 ALA 26 5.393 0.647 3.919 187 HB2 ALA 26 HB2 ALA 26 6.278 -0.351 5.098 188 HB3 ALA 26 HB3 ALA 26 5.087 -1.097 4.006 189 H LEU 27 H LEU 27 2.570 -1.798 4.935 190 HA LEU 27 HA LEU 27 0.962 -0.394 3.085 191 HB2 LEU 27 HB2 LEU 27 0.099 -2.641 4.975 192 HB3 LEU 27 HB3 LEU 27 -0.783 -2.088 3.575 193 HG LEU 27 HG LEU 27 1.740 -3.723 3.648 194 HD11 LEU 27 HD11 LEU 27 0.377 -5.344 2.447 195 HD12 LEU 27 HD12 LEU 27 -0.437 -4.879 3.955 196 HD13 LEU 27 HD13 LEU 27 -0.993 -4.206 2.405 197 HD21 LEU 27 HD21 LEU 27 1.576 -3.638 1.185 198 HD22 LEU 27 HD22 LEU 27 0.430 -2.289 1.372 199 HD23 LEU 27 HD23 LEU 27 2.102 -2.142 1.985 200 H ASP 28 H ASP 28 0.253 -1.276 6.486 201 HA ASP 28 HA ASP 28 -2.209 0.226 6.451 202 HB2 ASP 28 HB2 ASP 28 -0.511 -0.887 8.740 203 HB3 ASP 28 HB3 ASP 28 -2.146 -0.229 8.931 204 H PHE 29 H PHE 29 1.130 0.942 7.369 205 HA PHE 29 HA PHE 29 0.545 3.403 8.739 206 HB2 PHE 29 HB2 PHE 29 2.712 2.300 8.927 207 HB3 PHE 29 HB3 PHE 29 2.979 2.469 7.188 208 HD1 PHE 29 HD1 PHE 29 2.772 4.310 10.411 209 HD2 PHE 29 HD2 PHE 29 3.713 4.559 6.224 210 HE1 PHE 29 HE1 PHE 29 3.850 6.529 10.785 211 HE2 PHE 29 HE2 PHE 29 4.796 6.755 6.590 212 HZ PHE 29 HZ PHE 29 4.863 7.756 8.867 213 H ALA 30 H ALA 30 1.409 2.605 5.296 214 HA ALA 30 HA ALA 30 1.388 5.335 4.442 215 HB1 ALA 30 HB1 ALA 30 1.001 4.436 2.170 216 HB2 ALA 30 HB2 ALA 30 2.220 3.480 3.042 217 HB3 ALA 30 HB3 ALA 30 0.551 2.860 2.862 218 H VAL 31 H VAL 31 -1.428 3.082 4.570 219 HA VAL 31 HA VAL 31 -3.285 4.900 3.227 220 HB VAL 31 HB VAL 31 -4.343 2.975 5.208 221 HG11 VAL 31 HG11 VAL 31 -5.819 3.918 3.716 222 HG12 VAL 31 HG12 VAL 31 -4.880 3.308 2.328 223 HG13 VAL 31 HG13 VAL 31 -5.704 2.171 3.434 224 HG21 VAL 31 HG21 VAL 31 -2.525 1.885 4.938 225 HG22 VAL 31 HG22 VAL 31 -3.779 1.011 4.020 226 HG23 VAL 31 HG23 VAL 31 -2.561 1.990 3.145 227 H GLY 32 H GLY 32 -2.306 3.907 6.479 228 HA2 GLY 32 HA2 GLY 32 -4.413 5.181 7.873 229 HA3 GLY 32 HA3 GLY 32 -2.821 4.772 8.540 230 H GLU 33 H GLU 33 -1.341 6.186 6.522 231 HA GLU 33 HA GLU 33 -1.562 8.828 7.913 232 HB2 GLU 33 HB2 GLU 33 0.561 7.597 7.683 233 HB3 GLU 33 HB3 GLU 33 0.510 7.852 5.937 234 HG2 GLU 33 HG2 GLU 33 1.144 9.998 6.105 235 HG3 GLU 33 HG3 GLU 33 0.227 10.265 7.595 236 H TYR 34 H TYR 34 -2.210 7.423 4.855 237 HA TYR 34 HA TYR 34 -2.403 10.019 3.651 238 HB2 TYR 34 HB2 TYR 34 -1.432 8.363 2.240 239 HB3 TYR 34 HB3 TYR 34 -2.836 7.301 2.433 240 HD1 TYR 34 HD1 TYR 34 -2.096 10.851 1.333 241 HD2 TYR 34 HD2 TYR 34 -4.400 7.275 0.698 242 HE1 TYR 34 HE1 TYR 34 -3.239 11.923 -0.610 243 HE2 TYR 34 HE2 TYR 34 -5.546 8.362 -1.224 244 HH TYR 34 HH TYR 34 -4.844 11.697 -2.241 245 H ASN 35 H ASN 35 -4.567 7.306 3.909 246 HA ASN 35 HA ASN 35 -6.873 8.862 2.999 247 HB2 ASN 35 HB2 ASN 35 -6.256 5.975 3.713 248 HB3 ASN 35 HB3 ASN 35 -7.943 6.509 3.530 249 HD21 ASN 35 HD21 ASN 35 -7.928 8.183 1.427 250 HD22 ASN 35 HD22 ASN 35 -7.358 7.353 -0.001 251 H LYS 36 H LYS 36 -5.993 6.964 5.892 252 HA LYS 36 HA LYS 36 -8.417 7.694 7.321 253 HB2 LYS 36 HB2 LYS 36 -7.278 5.649 7.859 254 HB3 LYS 36 HB3 LYS 36 -5.759 6.500 8.055 255 HG2 LYS 36 HG2 LYS 36 -7.942 7.270 9.938 256 HG3 LYS 36 HG3 LYS 36 -7.205 5.672 10.157 257 HD2 LYS 36 HD2 LYS 36 -5.179 6.530 10.817 258 HD3 LYS 36 HD3 LYS 36 -5.274 7.871 9.680 259 HE2 LYS 36 HE2 LYS 36 -5.304 8.775 11.905 260 HE3 LYS 36 HE3 LYS 36 -6.878 9.045 11.137 261 HZ1 LYS 36 HZ1 LYS 36 -7.736 7.165 12.373 262 HZ2 LYS 36 HZ2 LYS 36 -6.269 6.907 13.086 263 HZ3 LYS 36 HZ3 LYS 36 -7.111 8.291 13.403 264 H ALA 37 H ALA 37 -5.185 9.055 7.002 265 HA ALA 37 HA ALA 37 -5.397 10.778 9.297 266 HB1 ALA 37 HB1 ALA 37 -3.734 11.249 6.866 267 HB2 ALA 37 HB2 ALA 37 -3.423 11.765 8.534 268 HB3 ALA 37 HB3 ALA 37 -3.295 10.040 8.096 269 H SER 38 H SER 38 -6.244 10.882 5.866 270 HA SER 38 HA SER 38 -7.030 13.706 5.903 271 HB2 SER 38 HB2 SER 38 -6.274 12.558 3.839 272 HB3 SER 38 HB3 SER 38 -7.684 11.482 3.930 273 HG SER 38 HG SER 38 -8.031 13.259 2.531 274 H ASN 39 H ASN 39 -9.187 14.493 5.733 275 HA ASN 39 HA ASN 39 -11.163 12.870 7.230 276 HB2 ASN 39 HB2 ASN 39 -10.653 15.338 7.668 277 HB3 ASN 39 HB3 ASN 39 -11.477 15.666 6.138 278 HD21 ASN 39 HD21 ASN 39 -13.534 16.232 6.376 279 HD22 ASN 39 HD22 ASN 39 -14.593 15.702 7.658 280 H ASP 40 H ASP 40 -10.811 11.558 5.037 281 HA ASP 40 HA ASP 40 -12.173 12.497 2.700 282 HB2 ASP 40 HB2 ASP 40 -10.481 10.575 2.914 283 HB3 ASP 40 HB3 ASP 40 -11.848 9.576 3.428 284 H MET 41 H MET 41 -14.221 12.574 2.168 285 HA MET 41 HA MET 41 -16.323 12.076 4.071 286 HB2 MET 41 HB2 MET 41 -16.396 12.610 1.074 287 HB3 MET 41 HB3 MET 41 -17.798 12.664 2.147 288 HG2 MET 41 HG2 MET 41 -15.365 14.478 2.323 289 HG3 MET 41 HG3 MET 41 -16.935 14.918 1.638 290 HE1 MET 41 HE1 MET 41 -19.139 13.780 3.641 291 HE2 MET 41 HE2 MET 41 -19.275 15.161 4.752 292 HE3 MET 41 HE3 MET 41 -19.092 15.443 3.005 293 H TYR 42 H TYR 42 -14.701 10.047 1.820 294 HA TYR 42 HA TYR 42 -16.939 8.055 1.990 295 HB2 TYR 42 HB2 TYR 42 -14.997 8.440 -0.304 296 HB3 TYR 42 HB3 TYR 42 -16.345 7.301 -0.242 297 HD1 TYR 42 HD1 TYR 42 -15.318 10.733 -0.977 298 HD2 TYR 42 HD2 TYR 42 -18.732 8.212 -0.246 299 HE1 TYR 42 HE1 TYR 42 -16.818 12.462 -1.971 300 HE2 TYR 42 HE2 TYR 42 -20.220 9.950 -1.240 301 HH TYR 42 HH TYR 42 -20.352 12.023 -2.187 302 H HIS 43 H HIS 43 -16.123 5.786 1.758 303 HA HIS 43 HA HIS 43 -13.710 5.483 3.399 304 HB2 HIS 43 HB2 HIS 43 -15.555 3.457 2.066 305 HB3 HIS 43 HB3 HIS 43 -14.142 3.025 3.036 306 HD1 HIS 43 HD1 HIS 43 -17.707 3.546 3.387 307 HD2 HIS 43 HD2 HIS 43 -14.358 4.112 5.780 308 HE1 HIS 43 HE1 HIS 43 -18.539 3.702 5.765 309 H SER 44 H SER 44 -11.792 5.769 2.420 310 HA SER 44 HA SER 44 -11.420 4.547 -0.291 311 HB2 SER 44 HB2 SER 44 -10.054 6.983 0.910 312 HB3 SER 44 HB3 SER 44 -9.740 6.294 -0.700 313 HG SER 44 HG SER 44 -11.441 8.145 -0.127 314 H ARG 45 H ARG 45 -9.485 3.369 -0.529 315 HA ARG 45 HA ARG 45 -7.701 3.064 1.799 316 HB2 ARG 45 HB2 ARG 45 -9.955 1.237 1.192 317 HB3 ARG 45 HB3 ARG 45 -8.398 0.412 1.256 318 HG2 ARG 45 HG2 ARG 45 -7.996 1.265 3.514 319 HG3 ARG 45 HG3 ARG 45 -9.534 2.145 3.476 320 HD2 ARG 45 HD2 ARG 45 -9.294 -0.869 3.156 321 HD3 ARG 45 HD3 ARG 45 -9.599 -0.053 4.702 322 HE ARG 45 HE ARG 45 -11.513 0.819 2.761 323 HH11 ARG 45 HH11 ARG 45 -10.774 -2.025 4.727 324 HH12 ARG 45 HH12 ARG 45 -12.440 -2.536 4.773 325 HH21 ARG 45 HH21 ARG 45 -13.613 0.094 2.855 326 HH22 ARG 45 HH22 ARG 45 -14.010 -1.352 3.750 327 H ALA 46 H ALA 46 -5.977 1.498 1.292 328 HA ALA 46 HA ALA 46 -5.143 1.537 -1.494 329 HB1 ALA 46 HB1 ALA 46 -4.117 0.105 1.046 330 HB2 ALA 46 HB2 ALA 46 -3.352 -0.090 -0.566 331 HB3 ALA 46 HB3 ALA 46 -3.379 1.505 0.237 332 H LEU 47 H LEU 47 -6.586 0.430 -2.806 333 HA LEU 47 HA LEU 47 -8.099 -1.865 -1.950 334 HB2 LEU 47 HB2 LEU 47 -7.373 -0.621 -4.577 335 HB3 LEU 47 HB3 LEU 47 -8.026 -2.238 -4.580 336 HG LEU 47 HG LEU 47 -10.134 -1.494 -3.785 337 HD11 LEU 47 HD11 LEU 47 -8.906 1.265 -3.607 338 HD12 LEU 47 HD12 LEU 47 -10.649 0.910 -3.521 339 HD13 LEU 47 HD13 LEU 47 -9.553 0.300 -2.267 340 HD21 LEU 47 HD21 LEU 47 -10.711 -0.357 -5.824 341 HD22 LEU 47 HD22 LEU 47 -9.091 0.376 -5.950 342 HD23 LEU 47 HD23 LEU 47 -9.287 -1.373 -6.195 343 H GLN 48 H GLN 48 -5.191 -1.454 -3.904 344 HA GLN 48 HA GLN 48 -4.493 -4.284 -3.525 345 HB2 GLN 48 HB2 GLN 48 -6.112 -4.089 -5.462 346 HB3 GLN 48 HB3 GLN 48 -4.990 -2.986 -6.248 347 HG2 GLN 48 HG2 GLN 48 -4.779 -5.275 -7.144 348 HG3 GLN 48 HG3 GLN 48 -3.277 -4.746 -6.370 349 HE21 GLN 48 HE21 GLN 48 -6.082 -6.857 -6.100 350 HE22 GLN 48 HE22 GLN 48 -5.392 -7.890 -4.863 351 H VAL 49 H VAL 49 -2.330 -4.441 -3.351 352 HA VAL 49 HA VAL 49 -0.754 -2.043 -3.892 353 HB VAL 49 HB VAL 49 -0.233 -4.578 -2.385 354 HG11 VAL 49 HG11 VAL 49 1.668 -4.615 -3.960 355 HG12 VAL 49 HG12 VAL 49 2.018 -2.905 -3.592 356 HG13 VAL 49 HG13 VAL 49 2.205 -4.151 -2.341 357 HG21 VAL 49 HG21 VAL 49 -0.847 -2.406 -1.284 358 HG22 VAL 49 HG22 VAL 49 0.768 -2.955 -0.810 359 HG23 VAL 49 HG23 VAL 49 0.598 -1.611 -1.988 360 H VAL 50 H VAL 50 0.430 -1.671 -5.614 361 HA VAL 50 HA VAL 50 0.310 -3.638 -7.812 362 HB VAL 50 HB VAL 50 1.565 -0.847 -7.818 363 HG11 VAL 50 HG11 VAL 50 1.186 -0.950 -10.244 364 HG12 VAL 50 HG12 VAL 50 2.152 -2.341 -9.722 365 HG13 VAL 50 HG13 VAL 50 0.429 -2.554 -10.080 366 HG21 VAL 50 HG21 VAL 50 -1.295 -1.668 -8.399 367 HG22 VAL 50 HG22 VAL 50 -0.724 -0.558 -7.131 368 HG23 VAL 50 HG23 VAL 50 -0.583 -0.097 -8.833 369 H ARG 51 H ARG 51 2.659 -1.934 -5.722 370 HA ARG 51 HA ARG 51 4.733 -3.965 -6.426 371 HB2 ARG 51 HB2 ARG 51 5.355 -0.995 -6.359 372 HB3 ARG 51 HB3 ARG 51 6.433 -2.291 -6.843 373 HG2 ARG 51 HG2 ARG 51 3.968 -1.438 -8.408 374 HG3 ARG 51 HG3 ARG 51 5.598 -0.841 -8.719 375 HD2 ARG 51 HD2 ARG 51 6.372 -2.974 -9.416 376 HD3 ARG 51 HD3 ARG 51 4.965 -3.788 -8.717 377 HE ARG 51 HE ARG 51 3.742 -3.383 -10.587 378 HH11 ARG 51 HH11 ARG 51 6.563 -1.263 -10.758 379 HH12 ARG 51 HH12 ARG 51 6.218 -0.786 -12.398 380 HH21 ARG 51 HH21 ARG 51 3.364 -2.719 -12.663 381 HH22 ARG 51 HH22 ARG 51 4.429 -1.587 -13.450 382 H ALA 52 H ALA 52 6.128 -4.376 -4.671 383 HA ALA 52 HA ALA 52 6.106 -2.480 -2.400 384 HB1 ALA 52 HB1 ALA 52 5.349 -5.442 -2.165 385 HB2 ALA 52 HB2 ALA 52 5.699 -4.368 -0.793 386 HB3 ALA 52 HB3 ALA 52 4.289 -4.054 -1.823 387 H ARG 53 H ARG 53 8.173 -2.038 -2.145 388 HA ARG 53 HA ARG 53 10.062 -4.297 -1.969 389 HB2 ARG 53 HB2 ARG 53 11.600 -3.367 -3.624 390 HB3 ARG 53 HB3 ARG 53 10.092 -3.881 -4.339 391 HG2 ARG 53 HG2 ARG 53 10.387 -1.067 -3.557 392 HG3 ARG 53 HG3 ARG 53 11.284 -1.635 -4.965 393 HD2 ARG 53 HD2 ARG 53 8.316 -1.830 -4.525 394 HD3 ARG 53 HD3 ARG 53 9.128 -0.685 -5.598 395 HE ARG 53 HE ARG 53 8.919 -3.658 -5.964 396 HH11 ARG 53 HH11 ARG 53 9.805 -0.535 -7.391 397 HH12 ARG 53 HH12 ARG 53 10.072 -1.248 -8.959 398 HH21 ARG 53 HH21 ARG 53 9.290 -4.467 -7.908 399 HH22 ARG 53 HH22 ARG 53 9.742 -3.454 -9.265 400 H LYS 54 H LYS 54 12.260 -3.610 -1.619 401 HA LYS 54 HA LYS 54 12.335 -1.085 -0.077 402 HB2 LYS 54 HB2 LYS 54 13.253 -3.865 0.811 403 HB3 LYS 54 HB3 LYS 54 13.656 -2.373 1.671 404 HG2 LYS 54 HG2 LYS 54 11.817 -2.637 2.855 405 HG3 LYS 54 HG3 LYS 54 10.883 -2.262 1.412 406 HD2 LYS 54 HD2 LYS 54 10.716 -4.736 0.865 407 HD3 LYS 54 HD3 LYS 54 11.613 -5.090 2.358 408 HE2 LYS 54 HE2 LYS 54 8.964 -3.636 2.120 409 HE3 LYS 54 HE3 LYS 54 9.227 -5.272 2.753 410 HZ1 LYS 54 HZ1 LYS 54 8.990 -3.588 4.496 411 HZ2 LYS 54 HZ2 LYS 54 10.468 -4.330 4.568 412 HZ3 LYS 54 HZ3 LYS 54 10.333 -2.806 3.952 413 H GLN 55 H GLN 55 14.133 0.053 -0.306 414 HA GLN 55 HA GLN 55 16.391 -1.019 -1.932 415 HB2 GLN 55 HB2 GLN 55 15.478 1.121 -2.683 416 HB3 GLN 55 HB3 GLN 55 15.465 1.732 -1.032 417 HG2 GLN 55 HG2 GLN 55 17.274 2.827 -2.084 418 HG3 GLN 55 HG3 GLN 55 18.019 1.599 -1.061 419 HE21 GLN 55 HE21 GLN 55 19.618 0.474 -1.997 420 HE22 GLN 55 HE22 GLN 55 19.772 0.223 -3.722 421 H ILE 56 H ILE 56 18.100 -1.752 -0.797 422 HA ILE 56 HA ILE 56 18.407 -0.923 2.049 423 HB ILE 56 HB ILE 56 19.676 -3.216 0.449 424 HG12 ILE 56 HG12 ILE 56 18.235 -4.282 2.577 425 HG13 ILE 56 HG13 ILE 56 17.208 -2.945 2.061 426 HG21 ILE 56 HG21 ILE 56 21.213 -2.466 2.236 427 HG22 ILE 56 HG22 ILE 56 19.893 -2.524 3.431 428 HG23 ILE 56 HG23 ILE 56 20.494 -4.023 2.681 429 HD11 ILE 56 HD11 ILE 56 18.215 -5.200 0.273 430 HD12 ILE 56 HD12 ILE 56 16.585 -5.059 0.962 431 HD13 ILE 56 HD13 ILE 56 17.144 -3.873 -0.234 432 H GLY 57 H GLY 57 20.280 0.169 2.699 433 HA2 GLY 57 HA2 GLY 57 22.681 0.425 1.296 434 HA3 GLY 57 HA3 GLY 57 21.621 1.744 0.723 435 H ALA 58 H ALA 58 23.394 3.050 1.912 436 HA ALA 58 HA ALA 58 23.537 3.014 4.770 437 HB1 ALA 58 HB1 ALA 58 24.502 5.284 4.520 438 HB2 ALA 58 HB2 ALA 58 25.217 4.155 3.348 439 HB3 ALA 58 HB3 ALA 58 23.982 5.328 2.820 440 H GLY 59 H GLY 59 21.228 4.267 2.494 441 HA2 GLY 59 HA2 GLY 59 19.529 5.205 4.768 442 HA3 GLY 59 HA3 GLY 59 19.529 5.990 3.155 443 H VAL 60 H VAL 60 17.486 4.176 4.743 444 HA VAL 60 HA VAL 60 17.254 2.044 2.650 445 HB VAL 60 HB VAL 60 16.218 2.149 5.521 446 HG11 VAL 60 HG11 VAL 60 15.465 -0.189 5.153 447 HG12 VAL 60 HG12 VAL 60 14.609 0.944 4.089 448 HG13 VAL 60 HG13 VAL 60 15.923 -0.065 3.439 449 HG21 VAL 60 HG21 VAL 60 17.772 0.250 5.896 450 HG22 VAL 60 HG22 VAL 60 18.350 0.400 4.221 451 HG23 VAL 60 HG23 VAL 60 18.639 1.710 5.385 452 H ASN 61 H ASN 61 15.466 2.077 1.349 453 HA ASN 61 HA ASN 61 13.292 3.995 2.145 454 HB2 ASN 61 HB2 ASN 61 14.746 3.726 -0.477 455 HB3 ASN 61 HB3 ASN 61 13.054 4.240 -0.444 456 HD21 ASN 61 HD21 ASN 61 16.312 5.178 0.053 457 HD22 ASN 61 HD22 ASN 61 15.972 6.821 0.540 458 H TYR 62 H TYR 62 11.384 3.148 2.271 459 HA TYR 62 HA TYR 62 10.858 0.452 1.095 460 HB2 TYR 62 HB2 TYR 62 9.245 2.318 2.882 461 HB3 TYR 62 HB3 TYR 62 8.654 0.773 2.304 462 HD1 TYR 62 HD1 TYR 62 8.432 -0.705 4.083 463 HD2 TYR 62 HD2 TYR 62 11.931 1.815 3.986 464 HE1 TYR 62 HE1 TYR 62 9.307 -1.792 6.158 465 HE2 TYR 62 HE2 TYR 62 12.791 0.687 6.023 466 HH TYR 62 HH TYR 62 12.404 -0.887 7.642 467 H PHE 63 H PHE 63 9.691 0.346 -0.830 468 HA PHE 63 HA PHE 63 8.316 2.876 -1.720 469 HB2 PHE 63 HB2 PHE 63 9.741 0.718 -3.296 470 HB3 PHE 63 HB3 PHE 63 8.689 1.925 -4.031 471 HD1 PHE 63 HD1 PHE 63 11.989 1.264 -2.573 472 HD2 PHE 63 HD2 PHE 63 9.343 4.318 -4.055 473 HE1 PHE 63 HE1 PHE 63 13.914 2.830 -2.777 474 HE2 PHE 63 HE2 PHE 63 11.266 5.889 -4.260 475 HZ PHE 63 HZ PHE 63 13.555 5.150 -3.611 476 H LEU 64 H LEU 64 6.178 2.645 -1.665 477 HA LEU 64 HA LEU 64 5.069 -0.087 -2.127 478 HB2 LEU 64 HB2 LEU 64 5.204 0.668 0.295 479 HB3 LEU 64 HB3 LEU 64 4.079 1.951 -0.098 480 HG LEU 64 HG LEU 64 3.197 -0.122 1.079 481 HD11 LEU 64 HD11 LEU 64 1.067 -0.093 -0.047 482 HD12 LEU 64 HD12 LEU 64 1.730 1.552 -0.027 483 HD13 LEU 64 HD13 LEU 64 1.794 0.586 -1.519 484 HD21 LEU 64 HD21 LEU 64 4.472 -1.716 -0.401 485 HD22 LEU 64 HD22 LEU 64 2.760 -2.097 -0.218 486 HD23 LEU 64 HD23 LEU 64 3.318 -1.341 -1.704 487 H ASP 65 H ASP 65 3.899 -0.059 -3.899 488 HA ASP 65 HA ASP 65 2.376 2.468 -4.563 489 HB2 ASP 65 HB2 ASP 65 3.380 0.239 -6.429 490 HB3 ASP 65 HB3 ASP 65 2.481 1.677 -6.926 491 H VAL 66 H VAL 66 0.560 2.447 -5.164 492 HA VAL 66 HA VAL 66 -1.143 0.161 -4.740 493 HB VAL 66 HB VAL 66 -0.350 1.753 -2.545 494 HG11 VAL 66 HG11 VAL 66 -2.528 2.309 -1.645 495 HG12 VAL 66 HG12 VAL 66 -2.352 3.146 -3.185 496 HG13 VAL 66 HG13 VAL 66 -3.353 1.665 -3.095 497 HG21 VAL 66 HG21 VAL 66 -2.444 -0.297 -2.768 498 HG22 VAL 66 HG22 VAL 66 -0.707 -0.528 -2.820 499 HG23 VAL 66 HG23 VAL 66 -1.405 0.162 -1.378 500 H GLU 67 H GLU 67 -3.087 0.096 -5.261 501 HA GLU 67 HA GLU 67 -3.991 2.204 -7.122 502 HB2 GLU 67 HB2 GLU 67 -4.024 -0.286 -7.633 503 HB3 GLU 67 HB3 GLU 67 -5.304 -0.440 -6.420 504 HG2 GLU 67 HG2 GLU 67 -6.651 1.194 -7.712 505 HG3 GLU 67 HG3 GLU 67 -5.368 1.247 -8.930 506 H LEU 68 H LEU 68 -5.548 3.627 -6.658 507 HA LEU 68 HA LEU 68 -6.925 3.414 -4.024 508 HB2 LEU 68 HB2 LEU 68 -6.317 5.640 -5.948 509 HB3 LEU 68 HB3 LEU 68 -7.756 5.769 -4.950 510 HG LEU 68 HG LEU 68 -4.922 5.561 -3.929 511 HD11 LEU 68 HD11 LEU 68 -6.962 7.835 -3.942 512 HD12 LEU 68 HD12 LEU 68 -5.301 7.912 -3.311 513 HD13 LEU 68 HD13 LEU 68 -5.576 7.697 -5.045 514 HD21 LEU 68 HD21 LEU 68 -6.432 4.513 -2.299 515 HD22 LEU 68 HD22 LEU 68 -5.924 6.099 -1.706 516 HD23 LEU 68 HD23 LEU 68 -7.547 5.896 -2.407 517 H GLY 69 H GLY 69 -9.100 3.887 -3.840 518 HA2 GLY 69 HA2 GLY 69 -10.930 4.199 -5.963 519 HA3 GLY 69 HA3 GLY 69 -10.824 2.455 -5.551 520 H ARG 70 H ARG 70 -13.195 3.476 -4.866 521 HA ARG 70 HA ARG 70 -12.917 4.080 -1.950 522 HB2 ARG 70 HB2 ARG 70 -15.124 4.934 -3.855 523 HB3 ARG 70 HB3 ARG 70 -15.057 5.265 -2.112 524 HG2 ARG 70 HG2 ARG 70 -12.912 6.507 -2.478 525 HG3 ARG 70 HG3 ARG 70 -13.077 6.245 -4.215 526 HD2 ARG 70 HD2 ARG 70 -15.236 7.501 -4.142 527 HD3 ARG 70 HD3 ARG 70 -14.899 7.890 -2.438 528 HE ARG 70 HE ARG 70 -13.458 8.885 -4.852 529 HH11 ARG 70 HH11 ARG 70 -13.551 8.803 -1.322 530 HH12 ARG 70 HH12 ARG 70 -12.465 10.148 -1.157 531 HH21 ARG 70 HH21 ARG 70 -12.056 10.542 -4.591 532 HH22 ARG 70 HH22 ARG 70 -11.638 11.130 -2.988 533 H THR 71 H THR 71 -14.139 2.831 -0.582 534 HA THR 71 HA THR 71 -15.112 0.371 -1.921 535 HB THR 71 HB THR 71 -14.778 -0.713 0.304 536 HG1 THR 71 HG1 THR 71 -15.044 1.377 1.435 537 HG21 THR 71 HG21 THR 71 -12.311 0.836 -0.591 538 HG22 THR 71 HG22 THR 71 -12.351 -0.707 0.290 539 HG23 THR 71 HG23 THR 71 -12.925 -0.634 -1.388 540 H THR 72 H THR 72 -16.982 -0.645 -1.427 541 HA THR 72 HA THR 72 -19.178 1.116 -0.696 542 HB THR 72 HB THR 72 -20.523 -1.030 -0.938 543 HG1 THR 72 HG1 THR 72 -18.238 -2.271 -1.997 544 HG21 THR 72 HG21 THR 72 -20.095 0.420 -2.894 545 HG22 THR 72 HG22 THR 72 -18.570 -0.445 -3.202 546 HG23 THR 72 HG23 THR 72 -20.121 -1.299 -3.346 547 H CYS 73 H CYS 73 -17.154 -1.140 1.025 548 HA CYS 73 HA CYS 73 -19.072 -1.286 3.285 549 HB2 CYS 73 HB2 CYS 73 -17.436 -2.844 4.235 550 HB3 CYS 73 HB3 CYS 73 -18.031 -3.376 2.645 551 H THR 74 H THR 74 -18.196 -1.149 5.476 552 HA THR 74 HA THR 74 -16.391 1.127 5.676 553 HB THR 74 HB THR 74 -17.147 1.493 7.849 554 HG1 THR 74 HG1 THR 74 -18.004 -0.256 9.111 555 HG21 THR 74 HG21 THR 74 -19.126 1.398 6.234 556 HG22 THR 74 HG22 THR 74 -19.490 -0.176 7.000 557 HG23 THR 74 HG23 THR 74 -19.449 1.302 7.978 558 H LYS 75 H LYS 75 -14.909 1.143 7.359 559 HA LYS 75 HA LYS 75 -12.890 -0.807 7.149 560 HB2 LYS 75 HB2 LYS 75 -11.951 0.486 9.155 561 HB3 LYS 75 HB3 LYS 75 -12.338 1.458 7.724 562 HG2 LYS 75 HG2 LYS 75 -14.510 2.157 8.748 563 HG3 LYS 75 HG3 LYS 75 -14.164 1.166 10.180 564 HD2 LYS 75 HD2 LYS 75 -12.201 2.530 10.700 565 HD3 LYS 75 HD3 LYS 75 -12.404 3.463 9.206 566 HE2 LYS 75 HE2 LYS 75 -14.503 3.346 11.414 567 HE3 LYS 75 HE3 LYS 75 -13.240 4.586 11.328 568 HZ1 LYS 75 HZ1 LYS 75 -15.309 5.353 10.321 569 HZ2 LYS 75 HZ2 LYS 75 -14.119 5.284 9.183 570 HZ3 LYS 75 HZ3 LYS 75 -15.289 4.123 9.224 571 H THR 76 H THR 76 -15.527 -0.627 9.347 572 HA THR 76 HA THR 76 -14.340 -2.616 11.177 573 HB THR 76 HB THR 76 -16.772 -2.086 11.921 574 HG1 THR 76 HG1 THR 76 -17.369 -0.018 11.516 575 HG21 THR 76 HG21 THR 76 -14.768 -1.689 13.339 576 HG22 THR 76 HG22 THR 76 -14.411 -0.222 12.393 577 HG23 THR 76 HG23 THR 76 -15.857 -0.288 13.428 578 H GLN 77 H GLN 77 -16.571 -2.383 8.745 579 HA GLN 77 HA GLN 77 -18.548 -4.220 9.553 580 HB2 GLN 77 HB2 GLN 77 -17.715 -3.142 6.919 581 HB3 GLN 77 HB3 GLN 77 -18.710 -4.601 6.908 582 HG2 GLN 77 HG2 GLN 77 -20.327 -3.452 8.404 583 HG3 GLN 77 HG3 GLN 77 -19.386 -1.974 8.225 584 HE21 GLN 77 HE21 GLN 77 -22.126 -3.302 7.227 585 HE22 GLN 77 HE22 GLN 77 -22.196 -2.715 5.583 586 HA PRO 78 HA PRO 78 -16.898 -8.270 9.124 587 HB2 PRO 78 HB2 PRO 78 -19.161 -9.727 8.807 588 HB3 PRO 78 HB3 PRO 78 -18.867 -8.805 10.317 589 HG2 PRO 78 HG2 PRO 78 -20.484 -8.005 7.895 590 HG3 PRO 78 HG3 PRO 78 -20.980 -8.013 9.619 591 HD2 PRO 78 HD2 PRO 78 -20.081 -5.748 8.380 592 HD3 PRO 78 HD3 PRO 78 -19.719 -6.096 10.106 593 H ASN 79 H ASN 79 -17.462 -6.519 6.576 594 HA ASN 79 HA ASN 79 -17.944 -8.704 4.620 595 HB2 ASN 79 HB2 ASN 79 -18.242 -5.686 4.422 596 HB3 ASN 79 HB3 ASN 79 -18.554 -6.818 3.098 597 HD21 ASN 79 HD21 ASN 79 -20.134 -8.572 3.589 598 HD22 ASN 79 HD22 ASN 79 -21.536 -8.114 4.534 599 H LEU 80 H LEU 80 -15.235 -7.438 5.909 600 HA LEU 80 HA LEU 80 -13.940 -6.232 3.719 601 HB2 LEU 80 HB2 LEU 80 -12.996 -7.384 6.277 602 HB3 LEU 80 HB3 LEU 80 -11.809 -7.171 4.996 603 HG LEU 80 HG LEU 80 -12.631 -4.759 4.792 604 HD11 LEU 80 HD11 LEU 80 -13.736 -5.362 7.548 605 HD12 LEU 80 HD12 LEU 80 -13.520 -3.747 6.845 606 HD13 LEU 80 HD13 LEU 80 -14.673 -4.877 6.117 607 HD21 LEU 80 HD21 LEU 80 -10.474 -5.406 5.671 608 HD22 LEU 80 HD22 LEU 80 -11.137 -4.080 6.654 609 HD23 LEU 80 HD23 LEU 80 -11.182 -5.747 7.271 610 H ASP 81 H ASP 81 -14.600 -9.636 3.811 611 HA ASP 81 HA ASP 81 -12.330 -10.102 1.991 612 HB2 ASP 81 HB2 ASP 81 -14.630 -11.895 2.782 613 HB3 ASP 81 HB3 ASP 81 -13.206 -12.391 1.852 614 H ASN 82 H ASN 82 -15.838 -9.852 1.851 615 HA ASN 82 HA ASN 82 -15.808 -10.459 -1.026 616 HB2 ASN 82 HB2 ASN 82 -18.144 -10.641 -0.939 617 HB3 ASN 82 HB3 ASN 82 -17.589 -11.329 0.593 618 HD21 ASN 82 HD21 ASN 82 -19.491 -8.940 -0.959 619 HD22 ASN 82 HD22 ASN 82 -20.070 -8.143 0.482 620 H CYS 83 H CYS 83 -16.006 -7.686 1.052 621 HA CYS 83 HA CYS 83 -17.202 -5.868 -0.798 622 HB2 CYS 83 HB2 CYS 83 -17.088 -5.326 1.506 623 HB3 CYS 83 HB3 CYS 83 -15.350 -5.566 1.561 624 HA PRO 84 HA PRO 84 -13.066 -4.632 -2.417 625 HB2 PRO 84 HB2 PRO 84 -10.730 -5.938 -1.952 626 HB3 PRO 84 HB3 PRO 84 -11.341 -4.635 -0.881 627 HG2 PRO 84 HG2 PRO 84 -11.588 -7.589 -0.585 628 HG3 PRO 84 HG3 PRO 84 -11.036 -6.369 0.607 629 HD2 PRO 84 HD2 PRO 84 -13.557 -7.333 0.601 630 HD3 PRO 84 HD3 PRO 84 -13.193 -5.623 1.020 631 H PHE 85 H PHE 85 -13.618 -8.156 -2.016 632 HA PHE 85 HA PHE 85 -12.519 -8.981 -4.521 633 HB2 PHE 85 HB2 PHE 85 -13.329 -10.511 -2.747 634 HB3 PHE 85 HB3 PHE 85 -14.987 -9.995 -3.068 635 HD1 PHE 85 HD1 PHE 85 -12.071 -11.829 -4.460 636 HD2 PHE 85 HD2 PHE 85 -16.239 -10.868 -4.926 637 HE1 PHE 85 HE1 PHE 85 -12.270 -13.577 -6.225 638 HE2 PHE 85 HE2 PHE 85 -16.452 -12.617 -6.687 639 HZ PHE 85 HZ PHE 85 -14.464 -13.973 -7.345 640 H HIS 86 H HIS 86 -15.636 -7.473 -3.680 641 HA HIS 86 HA HIS 86 -16.623 -7.595 -6.451 642 HB2 HIS 86 HB2 HIS 86 -18.258 -7.713 -4.696 643 HB3 HIS 86 HB3 HIS 86 -17.564 -6.320 -3.860 644 HD1 HIS 86 HD1 HIS 86 -18.197 -3.936 -4.740 645 HD2 HIS 86 HD2 HIS 86 -19.932 -7.070 -6.855 646 HE1 HIS 86 HE1 HIS 86 -19.972 -2.920 -6.218 647 H ASP 87 H ASP 87 -15.259 -5.193 -4.223 648 HA ASP 87 HA ASP 87 -15.886 -2.957 -5.878 649 HB2 ASP 87 HB2 ASP 87 -14.054 -3.293 -3.500 650 HB3 ASP 87 HB3 ASP 87 -14.242 -1.752 -4.349 651 H GLN 88 H GLN 88 -12.792 -4.818 -5.553 652 HA GLN 88 HA GLN 88 -11.265 -2.977 -7.082 653 HB2 GLN 88 HB2 GLN 88 -11.066 -5.904 -6.551 654 HB3 GLN 88 HB3 GLN 88 -10.117 -5.241 -7.890 655 HG2 GLN 88 HG2 GLN 88 -9.090 -3.660 -6.451 656 HG3 GLN 88 HG3 GLN 88 -10.086 -4.180 -5.081 657 HE21 GLN 88 HE21 GLN 88 -8.815 -5.218 -3.679 658 HE22 GLN 88 HE22 GLN 88 -7.654 -6.449 -4.095 659 HA PRO 89 HA PRO 89 -12.456 -4.915 -11.061 660 HB2 PRO 89 HB2 PRO 89 -14.645 -6.560 -11.374 661 HB3 PRO 89 HB3 PRO 89 -13.008 -7.184 -10.986 662 HG2 PRO 89 HG2 PRO 89 -15.271 -6.553 -9.075 663 HG3 PRO 89 HG3 PRO 89 -14.319 -8.062 -9.217 664 HD2 PRO 89 HD2 PRO 89 -13.715 -6.216 -7.403 665 HD3 PRO 89 HD3 PRO 89 -12.424 -7.085 -8.292 666 H HIS 90 H HIS 90 -14.986 -3.993 -8.771 667 HA HIS 90 HA HIS 90 -16.850 -2.926 -10.709 668 HB2 HIS 90 HB2 HIS 90 -17.501 -3.532 -8.418 669 HB3 HIS 90 HB3 HIS 90 -16.417 -2.297 -7.774 670 HD1 HIS 90 HD1 HIS 90 -18.084 -0.710 -6.721 671 HD2 HIS 90 HD2 HIS 90 -19.030 -1.675 -10.653 672 HE1 HIS 90 HE1 HIS 90 -20.012 0.777 -7.392 673 H LEU 91 H LEU 91 -13.980 -1.601 -9.022 674 HA LEU 91 HA LEU 91 -14.545 1.126 -9.695 675 HB2 LEU 91 HB2 LEU 91 -12.117 -0.376 -8.834 676 HB3 LEU 91 HB3 LEU 91 -11.868 1.175 -9.595 677 HG LEU 91 HG LEU 91 -11.751 1.318 -7.178 678 HD11 LEU 91 HD11 LEU 91 -12.482 3.239 -8.577 679 HD12 LEU 91 HD12 LEU 91 -14.183 2.775 -8.314 680 HD13 LEU 91 HD13 LEU 91 -13.179 3.296 -6.951 681 HD21 LEU 91 HD21 LEU 91 -14.652 0.450 -7.159 682 HD22 LEU 91 HD22 LEU 91 -13.266 -0.303 -6.342 683 HD23 LEU 91 HD23 LEU 91 -13.844 1.278 -5.812 684 H LYS 92 H LYS 92 -15.015 1.712 -11.672 685 HA LYS 92 HA LYS 92 -13.451 0.756 -13.974 686 HB2 LYS 92 HB2 LYS 92 -15.514 2.991 -13.790 687 HB3 LYS 92 HB3 LYS 92 -14.837 2.326 -15.279 688 HG2 LYS 92 HG2 LYS 92 -16.607 0.834 -13.291 689 HG3 LYS 92 HG3 LYS 92 -17.104 1.467 -14.863 690 HD2 LYS 92 HD2 LYS 92 -16.633 -0.587 -15.673 691 HD3 LYS 92 HD3 LYS 92 -14.923 -0.134 -15.525 692 HE2 LYS 92 HE2 LYS 92 -14.943 -1.034 -13.181 693 HE3 LYS 92 HE3 LYS 92 -16.614 -1.558 -13.421 694 HZ1 LYS 92 HZ1 LYS 92 -15.856 -3.057 -15.123 695 HZ2 LYS 92 HZ2 LYS 92 -14.302 -2.511 -14.996 696 HZ3 LYS 92 HZ3 LYS 92 -14.993 -3.322 -13.736 697 H ARG 93 H ARG 93 -13.628 3.532 -11.817 698 HA ARG 93 HA ARG 93 -11.562 5.057 -13.246 699 HB2 ARG 93 HB2 ARG 93 -12.850 5.199 -10.486 700 HB3 ARG 93 HB3 ARG 93 -11.365 6.083 -10.833 701 HG2 ARG 93 HG2 ARG 93 -12.510 7.288 -12.662 702 HG3 ARG 93 HG3 ARG 93 -14.033 6.484 -12.207 703 HD2 ARG 93 HD2 ARG 93 -13.931 7.451 -9.977 704 HD3 ARG 93 HD3 ARG 93 -12.309 8.093 -10.285 705 HE ARG 93 HE ARG 93 -14.066 9.176 -12.221 706 HH11 ARG 93 HH11 ARG 93 -13.496 9.404 -8.732 707 HH12 ARG 93 HH12 ARG 93 -14.057 11.058 -8.671 708 HH21 ARG 93 HH21 ARG 93 -14.785 11.277 -12.041 709 HH22 ARG 93 HH22 ARG 93 -14.783 12.085 -10.499 710 H LYS 94 H LYS 94 -9.393 4.644 -13.035 711 HA LYS 94 HA LYS 94 -8.543 2.972 -10.708 712 HB2 LYS 94 HB2 LYS 94 -7.585 2.804 -13.599 713 HB3 LYS 94 HB3 LYS 94 -6.735 2.082 -12.229 714 HG2 LYS 94 HG2 LYS 94 -9.540 1.336 -13.163 715 HG3 LYS 94 HG3 LYS 94 -8.056 0.395 -13.413 716 HD2 LYS 94 HD2 LYS 94 -7.804 0.396 -10.870 717 HD3 LYS 94 HD3 LYS 94 -9.462 0.998 -10.793 718 HE2 LYS 94 HE2 LYS 94 -10.208 -0.995 -12.080 719 HE3 LYS 94 HE3 LYS 94 -8.537 -1.614 -12.020 720 HZ1 LYS 94 HZ1 LYS 94 -9.909 -2.488 -10.212 721 HZ2 LYS 94 HZ2 LYS 94 -8.663 -1.572 -9.609 722 HZ3 LYS 94 HZ3 LYS 94 -10.201 -0.969 -9.659 723 H ALA 95 H ALA 95 -6.926 3.850 -9.611 724 HA ALA 95 HA ALA 95 -5.450 6.149 -10.766 725 HB1 ALA 95 HB1 ALA 95 -5.944 7.398 -8.642 726 HB2 ALA 95 HB2 ALA 95 -7.391 7.134 -9.632 727 HB3 ALA 95 HB3 ALA 95 -7.097 6.131 -8.195 728 H PHE 96 H PHE 96 -3.359 6.198 -9.927 729 HA PHE 96 HA PHE 96 -2.807 4.076 -7.895 730 HB2 PHE 96 HB2 PHE 96 -1.084 4.855 -10.261 731 HB3 PHE 96 HB3 PHE 96 -0.725 3.610 -9.056 732 HD1 PHE 96 HD1 PHE 96 -2.171 1.554 -8.920 733 HD2 PHE 96 HD2 PHE 96 -2.552 4.410 -12.114 734 HE1 PHE 96 HE1 PHE 96 -3.420 -0.131 -10.267 735 HE2 PHE 96 HE2 PHE 96 -3.806 2.736 -13.468 736 HZ PHE 96 HZ PHE 96 -4.244 0.458 -12.542 737 H CYS 97 H CYS 97 -1.472 4.523 -6.294 738 HA CYS 97 HA CYS 97 -0.281 7.255 -6.086 739 HB2 CYS 97 HB2 CYS 97 -1.002 5.228 -3.939 740 HB3 CYS 97 HB3 CYS 97 -0.276 6.813 -3.658 741 H SER 98 H SER 98 1.726 7.429 -4.997 742 HA SER 98 HA SER 98 3.320 4.912 -4.752 743 HB2 SER 98 HB2 SER 98 4.227 7.557 -5.953 744 HB3 SER 98 HB3 SER 98 5.317 6.238 -5.482 745 HG SER 98 HG SER 98 4.157 4.877 -6.924 746 H PHE 99 H PHE 99 3.739 4.650 -2.683 747 HA PHE 99 HA PHE 99 4.160 7.096 -0.996 748 HB2 PHE 99 HB2 PHE 99 3.480 4.245 -0.180 749 HB3 PHE 99 HB3 PHE 99 3.627 5.636 0.898 750 HD1 PHE 99 HD1 PHE 99 1.995 7.629 0.483 751 HD2 PHE 99 HD2 PHE 99 1.405 3.684 -1.131 752 HE1 PHE 99 HE1 PHE 99 -0.421 8.130 0.152 753 HE2 PHE 99 HE2 PHE 99 -1.016 4.171 -1.433 754 HZ PHE 99 HZ PHE 99 -1.936 6.396 -0.793 755 H GLN 100 H GLN 100 6.115 7.375 -0.079 756 HA GLN 100 HA GLN 100 8.067 5.111 -0.270 757 HB2 GLN 100 HB2 GLN 100 8.439 6.778 -2.083 758 HB3 GLN 100 HB3 GLN 100 8.615 8.019 -0.846 759 HG2 GLN 100 HG2 GLN 100 10.577 6.797 0.071 760 HG3 GLN 100 HG3 GLN 100 10.443 5.653 -1.275 761 HE21 GLN 100 HE21 GLN 100 12.560 7.622 -0.470 762 HE22 GLN 100 HE22 GLN 100 12.810 8.615 -1.892 763 H ILE 101 H ILE 101 8.542 4.561 1.758 764 HA ILE 101 HA ILE 101 8.585 6.720 3.827 765 HB ILE 101 HB ILE 101 8.649 3.693 4.210 766 HG12 ILE 101 HG12 ILE 101 6.341 5.557 4.809 767 HG13 ILE 101 HG13 ILE 101 6.470 4.654 3.297 768 HG21 ILE 101 HG21 ILE 101 8.262 4.215 6.603 769 HG22 ILE 101 HG22 ILE 101 9.776 4.923 6.023 770 HG23 ILE 101 HG23 ILE 101 8.339 5.953 6.234 771 HD11 ILE 101 HD11 ILE 101 5.028 3.403 4.716 772 HD12 ILE 101 HD12 ILE 101 6.575 2.529 4.672 773 HD13 ILE 101 HD13 ILE 101 6.149 3.519 6.089 774 H TYR 102 H TYR 102 10.542 7.540 4.299 775 HA TYR 102 HA TYR 102 12.943 5.982 3.488 776 HB2 TYR 102 HB2 TYR 102 13.028 8.340 2.947 777 HB3 TYR 102 HB3 TYR 102 12.500 8.785 4.578 778 HD1 TYR 102 HD1 TYR 102 14.116 9.448 6.127 779 HD2 TYR 102 HD2 TYR 102 15.280 6.850 2.905 780 HE1 TYR 102 HE1 TYR 102 16.480 9.543 6.895 781 HE2 TYR 102 HE2 TYR 102 17.641 6.950 3.689 782 HH TYR 102 HH TYR 102 19.107 7.789 5.248 783 H ALA 103 H ALA 103 13.962 4.744 4.977 784 HA ALA 103 HA ALA 103 13.184 5.112 7.808 785 HB1 ALA 103 HB1 ALA 103 12.720 2.919 6.956 786 HB2 ALA 103 HB2 ALA 103 14.407 2.784 6.381 787 HB3 ALA 103 HB3 ALA 103 14.070 2.888 8.126 788 H VAL 104 H VAL 104 14.676 5.618 9.245 789 HA VAL 104 HA VAL 104 17.202 6.627 8.016 790 HB VAL 104 HB VAL 104 16.469 7.097 10.890 791 HG11 VAL 104 HG11 VAL 104 17.116 9.009 8.784 792 HG12 VAL 104 HG12 VAL 104 17.070 9.274 10.536 793 HG13 VAL 104 HG13 VAL 104 18.298 8.175 9.839 794 HG21 VAL 104 HG21 VAL 104 14.367 7.046 10.173 795 HG22 VAL 104 HG22 VAL 104 14.767 8.754 10.373 796 HG23 VAL 104 HG23 VAL 104 14.685 8.052 8.732 797 HA PRO 105 HA PRO 105 17.474 2.945 10.082 798 HB2 PRO 105 HB2 PRO 105 19.877 1.718 9.372 799 HB3 PRO 105 HB3 PRO 105 18.473 1.825 8.258 800 HG2 PRO 105 HG2 PRO 105 20.872 3.647 8.447 801 HG3 PRO 105 HG3 PRO 105 20.180 2.845 6.999 802 HD2 PRO 105 HD2 PRO 105 19.582 5.426 7.654 803 HD3 PRO 105 HD3 PRO 105 18.373 4.331 6.900 804 H TRP 106 H TRP 106 19.937 5.324 10.326 805 HA TRP 106 HA TRP 106 21.660 4.318 12.299 806 HB2 TRP 106 HB2 TRP 106 21.761 6.447 10.835 807 HB3 TRP 106 HB3 TRP 106 20.786 7.210 12.096 808 HD1 TRP 106 HD1 TRP 106 22.000 7.406 14.569 809 HE1 TRP 106 HE1 TRP 106 24.435 7.640 15.252 810 HE3 TRP 106 HE3 TRP 106 24.107 5.736 10.217 811 HZ2 TRP 106 HZ2 TRP 106 26.991 7.185 14.064 812 HZ3 TRP 106 HZ3 TRP 106 26.605 5.654 10.049 813 HH2 TRP 106 HH2 TRP 106 28.025 6.383 11.967 814 H GLN 107 H GLN 107 18.399 5.621 12.631 815 HA GLN 107 HA GLN 107 18.719 5.494 15.610 816 HB2 GLN 107 HB2 GLN 107 16.823 7.082 13.888 817 HB3 GLN 107 HB3 GLN 107 16.795 7.068 15.648 818 HG2 GLN 107 HG2 GLN 107 18.996 8.114 15.708 819 HG3 GLN 107 HG3 GLN 107 19.112 8.037 13.942 820 HE21 GLN 107 HE21 GLN 107 18.698 10.180 16.269 821 HE22 GLN 107 HE22 GLN 107 17.577 11.281 15.505 822 H GLY 108 H GLY 108 17.497 3.761 13.017 823 HA2 GLY 108 HA2 GLY 108 16.032 1.976 12.963 824 HA3 GLY 108 HA3 GLY 108 15.814 2.143 14.717 825 H THR 109 H THR 109 15.330 4.980 12.877 826 HA THR 109 HA THR 109 12.413 4.901 13.438 827 HB THR 109 HB THR 109 12.740 7.384 12.715 828 HG1 THR 109 HG1 THR 109 14.930 8.063 13.118 829 HG21 THR 109 HG21 THR 109 14.089 6.367 15.258 830 HG22 THR 109 HG22 THR 109 13.529 8.031 14.972 831 HG23 THR 109 HG23 THR 109 12.350 6.706 15.074 832 H MET 110 H MET 110 11.028 5.956 11.735 833 HA MET 110 HA MET 110 12.351 6.231 9.129 834 HB2 MET 110 HB2 MET 110 10.695 4.797 7.960 835 HB3 MET 110 HB3 MET 110 11.616 3.867 9.132 836 HG2 MET 110 HG2 MET 110 9.699 3.976 10.711 837 HG3 MET 110 HG3 MET 110 8.758 4.824 9.466 838 HE1 MET 110 HE1 MET 110 10.342 1.455 10.693 839 HE2 MET 110 HE2 MET 110 10.150 0.369 9.295 840 HE3 MET 110 HE3 MET 110 11.342 1.685 9.242 841 H THR 111 H THR 111 10.933 7.425 7.594 842 HA THR 111 HA THR 111 8.546 8.770 8.780 843 HB THR 111 HB THR 111 10.957 10.180 7.541 844 HG1 THR 111 HG1 THR 111 10.106 9.725 10.175 845 HG21 THR 111 HG21 THR 111 8.975 11.380 6.975 846 HG22 THR 111 HG22 THR 111 8.344 11.238 8.640 847 HG23 THR 111 HG23 THR 111 9.774 12.240 8.309 848 H LEU 112 H LEU 112 6.979 9.265 7.150 849 HA LEU 112 HA LEU 112 7.341 8.165 4.541 850 HB2 LEU 112 HB2 LEU 112 5.158 8.604 5.781 851 HB3 LEU 112 HB3 LEU 112 5.372 10.306 5.416 852 HG LEU 112 HG LEU 112 5.225 9.760 2.979 853 HD11 LEU 112 HD11 LEU 112 6.012 7.453 3.049 854 HD12 LEU 112 HD12 LEU 112 4.638 6.985 4.073 855 HD13 LEU 112 HD13 LEU 112 4.368 7.492 2.386 856 HD21 LEU 112 HD21 LEU 112 2.967 8.826 4.799 857 HD22 LEU 112 HD22 LEU 112 3.228 10.467 4.175 858 HD23 LEU 112 HD23 LEU 112 2.778 9.152 3.066 859 H SER 113 H SER 113 8.633 8.946 3.030 860 HA SER 113 HA SER 113 9.626 11.723 3.192 861 HB2 SER 113 HB2 SER 113 11.214 9.878 2.865 862 HB3 SER 113 HB3 SER 113 10.351 9.372 1.400 863 HG SER 113 HG SER 113 10.911 11.963 1.173 864 H LYS 114 H LYS 114 7.580 9.666 1.169 865 HA LYS 114 HA LYS 114 6.707 12.084 -0.297 866 HB2 LYS 114 HB2 LYS 114 8.148 11.550 -1.986 867 HB3 LYS 114 HB3 LYS 114 8.331 9.896 -1.450 868 HG2 LYS 114 HG2 LYS 114 5.942 9.505 -2.482 869 HG3 LYS 114 HG3 LYS 114 6.238 11.031 -3.329 870 HD2 LYS 114 HD2 LYS 114 8.059 8.602 -3.368 871 HD3 LYS 114 HD3 LYS 114 6.850 8.952 -4.606 872 HE2 LYS 114 HE2 LYS 114 8.006 10.916 -5.320 873 HE3 LYS 114 HE3 LYS 114 9.074 10.890 -3.893 874 HZ1 LYS 114 HZ1 LYS 114 10.015 8.823 -4.664 875 HZ2 LYS 114 HZ2 LYS 114 9.026 8.803 -5.990 876 HZ3 LYS 114 HZ3 LYS 114 10.179 9.975 -5.839 877 H SER 115 H SER 115 4.640 12.000 -0.878 878 HA SER 115 HA SER 115 3.225 9.418 -1.008 879 HB2 SER 115 HB2 SER 115 2.840 10.209 1.308 880 HB3 SER 115 HB3 SER 115 2.314 11.788 0.689 881 HG SER 115 HG SER 115 0.543 10.430 1.124 882 H THR 116 H THR 116 2.533 9.533 -3.055 883 HA THR 116 HA THR 116 1.319 12.106 -3.952 884 HB THR 116 HB THR 116 3.641 11.932 -4.943 885 HG1 THR 116 HG1 THR 116 2.102 13.022 -6.133 886 HG21 THR 116 HG21 THR 116 3.819 9.504 -5.114 887 HG22 THR 116 HG22 THR 116 2.524 9.484 -6.336 888 HG23 THR 116 HG23 THR 116 4.070 10.289 -6.686 889 H CYS 117 H CYS 117 -0.462 11.757 -5.383 890 HA CYS 117 HA CYS 117 -1.334 8.962 -5.744 891 HB2 CYS 117 HB2 CYS 117 -2.545 10.967 -3.858 892 HB3 CYS 117 HB3 CYS 117 -3.612 9.859 -4.724 893 H GLN 118 H GLN 118 -3.505 8.902 -6.766 894 HA GLN 118 HA GLN 118 -3.895 11.153 -8.702 895 HB2 GLN 118 HB2 GLN 118 -3.899 8.139 -9.048 896 HB3 GLN 118 HB3 GLN 118 -4.689 9.220 -10.222 897 HG2 GLN 118 HG2 GLN 118 -2.587 10.279 -10.756 898 HG3 GLN 118 HG3 GLN 118 -1.764 9.435 -9.438 899 HE21 GLN 118 HE21 GLN 118 -0.348 8.950 -11.367 900 HE22 GLN 118 HE22 GLN 118 -0.710 7.481 -12.240 901 H ASP 119 H ASP 119 -6.150 11.484 -9.270 902 HA ASP 119 HA ASP 119 -7.879 11.207 -6.995 903 HB2 ASP 119 HB2 ASP 119 -8.343 12.178 -9.833 904 HB3 ASP 119 HB3 ASP 119 -9.561 12.269 -8.550 905 H ALA 120 H ALA 120 -9.673 10.030 -6.620 906 HA ALA 120 HA ALA 120 -10.590 8.074 -8.660 907 HB1 ALA 120 HB1 ALA 120 -9.949 7.386 -5.752 908 HB2 ALA 120 HB2 ALA 120 -10.631 6.283 -6.972 909 HB3 ALA 120 HB3 ALA 120 -8.975 6.900 -7.157 Start of MODEL 14 1 H1 SER 1 H1 SER 1 4.474 -11.005 12.873 2 H2 SER 1 H2 SER 1 4.410 -11.883 14.230 3 H3 SER 1 H3 SER 1 3.255 -12.041 13.108 4 HA SER 1 HA SER 1 6.080 -12.794 12.769 5 HB2 SER 1 HB2 SER 1 3.633 -14.595 12.837 6 HB3 SER 1 HB3 SER 1 5.344 -15.084 12.841 7 HG SER 1 HG SER 1 4.582 -15.156 14.946 8 H SER 2 H SER 2 6.502 -13.999 10.798 9 HA SER 2 HA SER 2 4.574 -13.748 8.559 10 HB2 SER 2 HB2 SER 2 6.521 -12.841 7.160 11 HB3 SER 2 HB3 SER 2 5.822 -11.684 8.303 12 HG SER 2 HG SER 2 7.529 -11.956 9.672 13 HA PRO 3 HA PRO 3 6.334 -17.688 8.201 14 HB2 PRO 3 HB2 PRO 3 7.050 -18.202 5.612 15 HB3 PRO 3 HB3 PRO 3 5.339 -18.104 6.151 16 HG2 PRO 3 HG2 PRO 3 7.035 -15.980 4.876 17 HG3 PRO 3 HG3 PRO 3 5.398 -16.541 4.422 18 HD2 PRO 3 HD2 PRO 3 5.735 -14.335 5.922 19 HD3 PRO 3 HD3 PRO 3 4.399 -15.485 6.278 20 H GLY 4 H GLY 4 8.202 -18.837 8.441 21 HA2 GLY 4 HA2 GLY 4 10.589 -17.249 8.682 22 HA3 GLY 4 HA3 GLY 4 10.424 -18.974 9.037 23 H LYS 5 H LYS 5 12.472 -17.304 7.607 24 HA LYS 5 HA LYS 5 13.101 -19.170 5.475 25 HB2 LYS 5 HB2 LYS 5 13.221 -17.274 3.741 26 HB3 LYS 5 HB3 LYS 5 11.619 -17.915 4.094 27 HG2 LYS 5 HG2 LYS 5 11.161 -15.995 5.573 28 HG3 LYS 5 HG3 LYS 5 12.755 -15.317 5.183 29 HD2 LYS 5 HD2 LYS 5 12.164 -15.040 2.884 30 HD3 LYS 5 HD3 LYS 5 10.701 -16.029 3.065 31 HE2 LYS 5 HE2 LYS 5 11.135 -13.401 4.521 32 HE3 LYS 5 HE3 LYS 5 10.310 -13.536 2.958 33 HZ1 LYS 5 HZ1 LYS 5 8.685 -13.541 4.668 34 HZ2 LYS 5 HZ2 LYS 5 8.725 -15.065 4.042 35 HZ3 LYS 5 HZ3 LYS 5 9.424 -14.771 5.509 36 HA PRO 6 HA PRO 6 16.864 -17.562 7.023 37 HB2 PRO 6 HB2 PRO 6 18.621 -17.390 4.918 38 HB3 PRO 6 HB3 PRO 6 18.095 -18.958 5.614 39 HG2 PRO 6 HG2 PRO 6 16.995 -17.498 3.220 40 HG3 PRO 6 HG3 PRO 6 17.547 -19.201 3.344 41 HD2 PRO 6 HD2 PRO 6 14.945 -18.591 3.543 42 HD3 PRO 6 HD3 PRO 6 15.670 -19.830 4.626 43 HA PRO 7 HA PRO 7 16.570 -13.243 6.391 44 HB2 PRO 7 HB2 PRO 7 18.940 -12.244 7.331 45 HB3 PRO 7 HB3 PRO 7 17.695 -12.947 8.412 46 HG2 PRO 7 HG2 PRO 7 20.143 -14.261 7.247 47 HG3 PRO 7 HG3 PRO 7 19.599 -14.207 8.957 48 HD2 PRO 7 HD2 PRO 7 19.079 -16.336 7.389 49 HD3 PRO 7 HD3 PRO 7 17.858 -15.736 8.568 50 H ARG 8 H ARG 8 17.010 -11.670 4.863 51 HA ARG 8 HA ARG 8 19.132 -12.333 2.855 52 HB2 ARG 8 HB2 ARG 8 16.852 -12.653 1.974 53 HB3 ARG 8 HB3 ARG 8 16.414 -11.020 2.490 54 HG2 ARG 8 HG2 ARG 8 18.097 -10.082 0.938 55 HG3 ARG 8 HG3 ARG 8 18.502 -11.717 0.391 56 HD2 ARG 8 HD2 ARG 8 17.019 -10.630 -1.175 57 HD3 ARG 8 HD3 ARG 8 16.175 -11.991 -0.395 58 HE ARG 8 HE ARG 8 15.659 -9.613 1.072 59 HH11 ARG 8 HH11 ARG 8 14.791 -10.999 -2.071 60 HH12 ARG 8 HH12 ARG 8 13.290 -10.100 -2.134 61 HH21 ARG 8 HH21 ARG 8 13.718 -8.553 0.900 62 HH22 ARG 8 HH22 ARG 8 12.705 -8.768 -0.517 63 H LEU 9 H LEU 9 20.796 -10.986 3.337 64 HA LEU 9 HA LEU 9 20.135 -8.085 3.366 65 HB2 LEU 9 HB2 LEU 9 22.202 -9.563 5.041 66 HB3 LEU 9 HB3 LEU 9 22.296 -7.846 4.726 67 HG LEU 9 HG LEU 9 21.544 -8.110 6.928 68 HD11 LEU 9 HD11 LEU 9 20.443 -6.322 5.592 69 HD12 LEU 9 HD12 LEU 9 19.076 -7.423 5.287 70 HD13 LEU 9 HD13 LEU 9 19.448 -6.899 6.944 71 HD21 LEU 9 HD21 LEU 9 19.646 -9.357 7.677 72 HD22 LEU 9 HD22 LEU 9 19.184 -9.779 6.015 73 HD23 LEU 9 HD23 LEU 9 20.674 -10.447 6.724 74 H VAL 10 H VAL 10 20.430 -7.315 1.714 75 HA VAL 10 HA VAL 10 23.083 -7.627 0.463 76 HB VAL 10 HB VAL 10 20.654 -7.455 -1.302 77 HG11 VAL 10 HG11 VAL 10 23.255 -8.878 -1.334 78 HG12 VAL 10 HG12 VAL 10 22.089 -8.821 -2.685 79 HG13 VAL 10 HG13 VAL 10 22.866 -7.327 -2.123 80 HG21 VAL 10 HG21 VAL 10 21.514 -10.095 -0.004 81 HG22 VAL 10 HG22 VAL 10 19.923 -9.308 0.135 82 HG23 VAL 10 HG23 VAL 10 20.449 -9.957 -1.423 83 H GLY 11 H GLY 11 23.615 -5.657 -0.713 84 HA2 GLY 11 HA2 GLY 11 22.078 -3.314 0.192 85 HA3 GLY 11 HA3 GLY 11 23.604 -3.306 -0.722 86 H GLY 12 H GLY 12 21.502 -1.626 -1.497 87 HA2 GLY 12 HA2 GLY 12 20.762 -1.058 -3.659 88 HA3 GLY 12 HA3 GLY 12 21.033 -2.722 -4.196 89 HA PRO 13 HA PRO 13 16.536 -2.079 -3.379 90 HB2 PRO 13 HB2 PRO 13 15.472 -2.469 -5.831 91 HB3 PRO 13 HB3 PRO 13 16.211 -0.902 -5.362 92 HG2 PRO 13 HG2 PRO 13 17.420 -3.180 -6.922 93 HG3 PRO 13 HG3 PRO 13 17.409 -1.431 -7.310 94 HD2 PRO 13 HD2 PRO 13 19.525 -2.693 -6.096 95 HD3 PRO 13 HD3 PRO 13 19.114 -0.969 -5.795 96 H MET 14 H MET 14 15.053 -3.653 -2.878 97 HA MET 14 HA MET 14 15.158 -6.264 -4.265 98 HB2 MET 14 HB2 MET 14 15.245 -7.524 -2.154 99 HB3 MET 14 HB3 MET 14 16.723 -6.590 -2.395 100 HG2 MET 14 HG2 MET 14 15.944 -4.889 -0.785 101 HG3 MET 14 HG3 MET 14 14.411 -5.754 -0.586 102 HE1 MET 14 HE1 MET 14 18.230 -5.715 0.101 103 HE2 MET 14 HE2 MET 14 18.494 -7.234 0.986 104 HE3 MET 14 HE3 MET 14 18.139 -7.273 -0.755 105 H ASP 15 H ASP 15 13.050 -7.084 -4.447 106 HA ASP 15 HA ASP 15 10.942 -5.476 -3.176 107 HB2 ASP 15 HB2 ASP 15 10.959 -7.702 -5.204 108 HB3 ASP 15 HB3 ASP 15 9.482 -7.347 -4.292 109 H ALA 16 H ALA 16 9.647 -6.169 -1.484 110 HA ALA 16 HA ALA 16 10.478 -8.724 -0.117 111 HB1 ALA 16 HB1 ALA 16 11.071 -6.851 1.274 112 HB2 ALA 16 HB2 ALA 16 9.494 -6.080 0.985 113 HB3 ALA 16 HB3 ALA 16 9.585 -7.579 1.938 114 H SER 17 H SER 17 8.736 -9.859 0.818 115 HA SER 17 HA SER 17 6.462 -9.917 -1.026 116 HB2 SER 17 HB2 SER 17 6.971 -11.476 1.542 117 HB3 SER 17 HB3 SER 17 5.725 -11.845 0.332 118 HG SER 17 HG SER 17 7.659 -13.084 0.082 119 H VAL 18 H VAL 18 4.194 -9.722 -0.365 120 HA VAL 18 HA VAL 18 3.719 -7.477 1.392 121 HB VAL 18 HB VAL 18 1.329 -7.950 1.046 122 HG11 VAL 18 HG11 VAL 18 1.263 -7.728 -1.379 123 HG12 VAL 18 HG12 VAL 18 2.657 -6.828 -0.744 124 HG13 VAL 18 HG13 VAL 18 2.899 -8.409 -1.525 125 HG21 VAL 18 HG21 VAL 18 0.578 -9.899 -0.303 126 HG22 VAL 18 HG22 VAL 18 2.235 -10.534 -0.335 127 HG23 VAL 18 HG23 VAL 18 1.346 -10.425 1.205 128 H GLU 19 H GLU 19 4.183 -10.818 1.854 129 HA GLU 19 HA GLU 19 2.838 -11.147 4.380 130 HB2 GLU 19 HB2 GLU 19 4.903 -12.560 2.734 131 HB3 GLU 19 HB3 GLU 19 4.738 -12.997 4.445 132 HG2 GLU 19 HG2 GLU 19 2.315 -13.386 4.058 133 HG3 GLU 19 HG3 GLU 19 2.600 -13.130 2.322 134 H GLU 20 H GLU 20 5.983 -9.844 3.341 135 HA GLU 20 HA GLU 20 7.166 -10.117 5.861 136 HB2 GLU 20 HB2 GLU 20 7.889 -8.471 3.526 137 HB3 GLU 20 HB3 GLU 20 8.476 -7.924 5.107 138 HG2 GLU 20 HG2 GLU 20 10.046 -9.306 4.427 139 HG3 GLU 20 HG3 GLU 20 9.007 -10.208 5.575 140 H GLU 21 H GLU 21 7.509 -9.238 7.565 141 HA GLU 21 HA GLU 21 5.536 -7.505 8.226 142 HB2 GLU 21 HB2 GLU 21 7.880 -8.521 9.718 143 HB3 GLU 21 HB3 GLU 21 6.861 -7.265 10.457 144 HG2 GLU 21 HG2 GLU 21 4.921 -8.634 10.375 145 HG3 GLU 21 HG3 GLU 21 5.685 -9.793 9.286 146 H GLY 22 H GLY 22 8.683 -6.939 7.075 147 HA2 GLY 22 HA2 GLY 22 8.873 -4.159 7.792 148 HA3 GLY 22 HA3 GLY 22 9.756 -4.973 6.484 149 H VAL 23 H VAL 23 7.098 -5.926 5.296 150 HA VAL 23 HA VAL 23 6.466 -3.433 3.850 151 HB VAL 23 HB VAL 23 5.508 -6.313 3.461 152 HG11 VAL 23 HG11 VAL 23 3.779 -4.929 2.641 153 HG12 VAL 23 HG12 VAL 23 4.924 -3.809 1.863 154 HG13 VAL 23 HG13 VAL 23 4.702 -5.464 1.236 155 HG21 VAL 23 HG21 VAL 23 7.856 -6.011 2.890 156 HG22 VAL 23 HG22 VAL 23 6.897 -6.217 1.417 157 HG23 VAL 23 HG23 VAL 23 7.447 -4.596 1.882 158 H ARG 24 H ARG 24 4.804 -5.932 5.836 159 HA ARG 24 HA ARG 24 2.202 -4.891 5.663 160 HB2 ARG 24 HB2 ARG 24 3.578 -6.306 7.966 161 HB3 ARG 24 HB3 ARG 24 1.835 -6.004 7.879 162 HG2 ARG 24 HG2 ARG 24 1.659 -7.357 5.847 163 HG3 ARG 24 HG3 ARG 24 3.408 -7.589 5.819 164 HD2 ARG 24 HD2 ARG 24 2.437 -9.576 6.664 165 HD3 ARG 24 HD3 ARG 24 3.273 -8.757 8.000 166 HE ARG 24 HE ARG 24 0.567 -7.919 8.010 167 HH11 ARG 24 HH11 ARG 24 2.405 -10.875 8.590 168 HH12 ARG 24 HH12 ARG 24 1.219 -11.515 9.691 169 HH21 ARG 24 HH21 ARG 24 -0.918 -8.795 9.417 170 HH22 ARG 24 HH22 ARG 24 -0.645 -10.356 10.140 171 H ARG 25 H ARG 25 4.797 -3.939 7.946 172 HA ARG 25 HA ARG 25 3.093 -2.125 9.373 173 HB2 ARG 25 HB2 ARG 25 5.062 -1.228 10.326 174 HB3 ARG 25 HB3 ARG 25 5.274 -2.968 10.179 175 HG2 ARG 25 HG2 ARG 25 7.336 -2.357 9.450 176 HG3 ARG 25 HG3 ARG 25 6.499 -2.244 7.893 177 HD2 ARG 25 HD2 ARG 25 7.931 -0.263 8.307 178 HD3 ARG 25 HD3 ARG 25 6.230 0.188 8.197 179 HE ARG 25 HE ARG 25 7.626 -0.138 10.819 180 HH11 ARG 25 HH11 ARG 25 5.512 1.783 8.725 181 HH12 ARG 25 HH12 ARG 25 5.266 3.000 9.945 182 HH21 ARG 25 HH21 ARG 25 7.234 1.452 12.323 183 HH22 ARG 25 HH22 ARG 25 6.211 2.808 11.935 184 H ALA 26 H ALA 26 4.695 -1.797 6.317 185 HA ALA 26 HA ALA 26 4.532 1.102 6.262 186 HB1 ALA 26 HB1 ALA 26 5.357 -0.936 4.135 187 HB2 ALA 26 HB2 ALA 26 5.496 0.826 3.994 188 HB3 ALA 26 HB3 ALA 26 6.466 -0.046 5.207 189 H LEU 27 H LEU 27 2.875 -1.809 5.073 190 HA LEU 27 HA LEU 27 1.165 -0.602 3.170 191 HB2 LEU 27 HB2 LEU 27 0.494 -2.840 5.151 192 HB3 LEU 27 HB3 LEU 27 -0.440 -2.412 3.740 193 HG LEU 27 HG LEU 27 2.208 -3.869 3.834 194 HD11 LEU 27 HD11 LEU 27 0.943 -5.589 2.667 195 HD12 LEU 27 HD12 LEU 27 0.104 -5.149 4.170 196 HD13 LEU 27 HD13 LEU 27 -0.496 -4.541 2.609 197 HD21 LEU 27 HD21 LEU 27 0.799 -2.570 1.526 198 HD22 LEU 27 HD22 LEU 27 2.455 -2.292 2.135 199 HD23 LEU 27 HD23 LEU 27 2.039 -3.840 1.369 200 H ASP 28 H ASP 28 0.478 -1.370 6.621 201 HA ASP 28 HA ASP 28 -2.023 0.061 6.511 202 HB2 ASP 28 HB2 ASP 28 -0.266 -0.900 8.825 203 HB3 ASP 28 HB3 ASP 28 -1.886 -0.208 9.039 204 H PHE 29 H PHE 29 1.272 0.943 7.476 205 HA PHE 29 HA PHE 29 0.602 3.407 8.768 206 HB2 PHE 29 HB2 PHE 29 2.765 2.306 8.967 207 HB3 PHE 29 HB3 PHE 29 3.072 2.526 7.241 208 HD1 PHE 29 HD1 PHE 29 2.585 4.349 10.469 209 HD2 PHE 29 HD2 PHE 29 4.040 4.532 6.427 210 HE1 PHE 29 HE1 PHE 29 3.708 6.517 10.974 211 HE2 PHE 29 HE2 PHE 29 5.175 6.682 6.924 212 HZ PHE 29 HZ PHE 29 5.016 7.683 9.199 213 H ALA 30 H ALA 30 1.541 2.625 5.342 214 HA ALA 30 HA ALA 30 1.403 5.355 4.476 215 HB1 ALA 30 HB1 ALA 30 1.075 4.425 2.205 216 HB2 ALA 30 HB2 ALA 30 2.339 3.547 3.096 217 HB3 ALA 30 HB3 ALA 30 0.709 2.831 2.907 218 H VAL 31 H VAL 31 -1.311 2.976 4.573 219 HA VAL 31 HA VAL 31 -3.230 4.693 3.181 220 HB VAL 31 HB VAL 31 -4.226 2.749 5.174 221 HG11 VAL 31 HG11 VAL 31 -5.712 3.608 3.634 222 HG12 VAL 31 HG12 VAL 31 -4.734 2.959 2.285 223 HG13 VAL 31 HG13 VAL 31 -5.539 1.855 3.434 224 HG21 VAL 31 HG21 VAL 31 -3.555 0.801 4.037 225 HG22 VAL 31 HG22 VAL 31 -2.380 1.819 3.152 226 HG23 VAL 31 HG23 VAL 31 -2.351 1.750 4.948 227 H GLY 32 H GLY 32 -2.255 3.800 6.465 228 HA2 GLY 32 HA2 GLY 32 -4.458 4.971 7.805 229 HA3 GLY 32 HA3 GLY 32 -2.865 4.642 8.508 230 H GLU 33 H GLU 33 -1.425 6.120 6.501 231 HA GLU 33 HA GLU 33 -1.785 8.761 7.868 232 HB2 GLU 33 HB2 GLU 33 0.396 7.655 7.680 233 HB3 GLU 33 HB3 GLU 33 0.345 7.853 5.923 234 HG2 GLU 33 HG2 GLU 33 0.433 10.246 6.140 235 HG3 GLU 33 HG3 GLU 33 0.237 10.139 7.899 236 H TYR 34 H TYR 34 -2.340 7.305 4.807 237 HA TYR 34 HA TYR 34 -2.619 9.891 3.598 238 HB2 TYR 34 HB2 TYR 34 -1.555 8.243 2.223 239 HB3 TYR 34 HB3 TYR 34 -2.962 7.175 2.340 240 HD1 TYR 34 HD1 TYR 34 -2.157 10.741 1.345 241 HD2 TYR 34 HD2 TYR 34 -4.492 7.216 0.553 242 HE1 TYR 34 HE1 TYR 34 -3.231 11.877 -0.601 243 HE2 TYR 34 HE2 TYR 34 -5.561 8.363 -1.382 244 HH TYR 34 HH TYR 34 -4.825 11.733 -2.254 245 H ASN 35 H ASN 35 -4.644 7.091 3.828 246 HA ASN 35 HA ASN 35 -7.014 8.508 2.869 247 HB2 ASN 35 HB2 ASN 35 -6.229 5.667 3.581 248 HB3 ASN 35 HB3 ASN 35 -7.946 6.092 3.385 249 HD21 ASN 35 HD21 ASN 35 -6.053 4.378 1.822 250 HD22 ASN 35 HD22 ASN 35 -6.203 4.968 0.183 251 H LYS 36 H LYS 36 -6.100 6.653 5.773 252 HA LYS 36 HA LYS 36 -8.571 7.272 7.164 253 HB2 LYS 36 HB2 LYS 36 -7.324 5.288 7.718 254 HB3 LYS 36 HB3 LYS 36 -5.867 6.229 7.954 255 HG2 LYS 36 HG2 LYS 36 -8.098 6.923 9.774 256 HG3 LYS 36 HG3 LYS 36 -7.369 5.323 10.002 257 HD2 LYS 36 HD2 LYS 36 -5.268 6.180 10.533 258 HD3 LYS 36 HD3 LYS 36 -5.531 7.680 9.648 259 HE2 LYS 36 HE2 LYS 36 -7.153 7.079 12.130 260 HE3 LYS 36 HE3 LYS 36 -5.518 7.762 12.251 261 HZ1 LYS 36 HZ1 LYS 36 -7.348 9.446 12.170 262 HZ2 LYS 36 HZ2 LYS 36 -6.198 9.657 11.009 263 HZ3 LYS 36 HZ3 LYS 36 -7.655 9.007 10.605 264 H ALA 37 H ALA 37 -5.404 8.807 6.880 265 HA ALA 37 HA ALA 37 -5.740 10.508 9.177 266 HB1 ALA 37 HB1 ALA 37 -3.816 11.600 8.455 267 HB2 ALA 37 HB2 ALA 37 -3.587 9.888 7.997 268 HB3 ALA 37 HB3 ALA 37 -4.075 11.088 6.774 269 H SER 38 H SER 38 -6.542 10.577 5.744 270 HA SER 38 HA SER 38 -7.481 13.342 5.725 271 HB2 SER 38 HB2 SER 38 -6.729 12.157 3.679 272 HB3 SER 38 HB3 SER 38 -8.090 11.030 3.840 273 HG SER 38 HG SER 38 -8.555 12.734 2.396 274 H ASN 39 H ASN 39 -9.723 13.991 5.483 275 HA ASN 39 HA ASN 39 -11.531 12.325 7.143 276 HB2 ASN 39 HB2 ASN 39 -11.116 14.805 7.587 277 HB3 ASN 39 HB3 ASN 39 -11.984 15.120 6.072 278 HD21 ASN 39 HD21 ASN 39 -12.873 12.487 8.246 279 HD22 ASN 39 HD22 ASN 39 -14.376 13.199 8.773 280 H ASP 40 H ASP 40 -11.181 11.101 4.813 281 HA ASP 40 HA ASP 40 -12.919 11.993 2.706 282 HB2 ASP 40 HB2 ASP 40 -11.044 10.307 2.484 283 HB3 ASP 40 HB3 ASP 40 -12.089 9.132 3.295 284 H MET 41 H MET 41 -15.015 11.841 2.460 285 HA MET 41 HA MET 41 -16.787 10.933 4.557 286 HB2 MET 41 HB2 MET 41 -17.282 11.633 1.636 287 HB3 MET 41 HB3 MET 41 -18.552 11.386 2.843 288 HG2 MET 41 HG2 MET 41 -16.425 13.556 3.001 289 HG3 MET 41 HG3 MET 41 -18.066 13.781 2.379 290 HE1 MET 41 HE1 MET 41 -15.923 12.833 5.642 291 HE2 MET 41 HE2 MET 41 -15.935 14.567 5.252 292 HE3 MET 41 HE3 MET 41 -16.738 13.984 6.727 293 H TYR 42 H TYR 42 -15.217 9.427 1.881 294 HA TYR 42 HA TYR 42 -17.033 7.046 2.068 295 HB2 TYR 42 HB2 TYR 42 -15.073 7.838 -0.116 296 HB3 TYR 42 HB3 TYR 42 -16.189 6.465 -0.154 297 HD1 TYR 42 HD1 TYR 42 -15.767 10.033 -0.781 298 HD2 TYR 42 HD2 TYR 42 -18.710 6.940 -0.215 299 HE1 TYR 42 HE1 TYR 42 -17.514 11.498 -1.799 300 HE2 TYR 42 HE2 TYR 42 -20.446 8.414 -1.233 301 HH TYR 42 HH TYR 42 -20.911 10.458 -2.135 302 H HIS 43 H HIS 43 -15.769 4.927 1.888 303 HA HIS 43 HA HIS 43 -13.329 5.213 3.535 304 HB2 HIS 43 HB2 HIS 43 -14.292 2.571 2.480 305 HB3 HIS 43 HB3 HIS 43 -13.584 2.963 4.046 306 HD1 HIS 43 HD1 HIS 43 -16.797 2.344 2.385 307 HD2 HIS 43 HD2 HIS 43 -15.505 4.357 5.786 308 HE1 HIS 43 HE1 HIS 43 -18.834 2.699 3.828 309 H SER 44 H SER 44 -11.484 5.689 2.376 310 HA SER 44 HA SER 44 -11.155 4.416 -0.295 311 HB2 SER 44 HB2 SER 44 -9.796 6.782 1.034 312 HB3 SER 44 HB3 SER 44 -9.163 5.985 -0.424 313 HG SER 44 HG SER 44 -11.421 7.596 -0.100 314 H ARG 45 H ARG 45 -9.424 3.119 -0.669 315 HA ARG 45 HA ARG 45 -7.841 2.272 1.717 316 HB2 ARG 45 HB2 ARG 45 -10.119 1.047 1.358 317 HB3 ARG 45 HB3 ARG 45 -9.334 0.293 -0.029 318 HG2 ARG 45 HG2 ARG 45 -7.547 -0.539 1.584 319 HG3 ARG 45 HG3 ARG 45 -8.581 0.051 2.898 320 HD2 ARG 45 HD2 ARG 45 -9.316 -2.026 0.795 321 HD3 ARG 45 HD3 ARG 45 -8.944 -2.343 2.499 322 HE ARG 45 HE ARG 45 -11.121 -0.458 2.211 323 HH11 ARG 45 HH11 ARG 45 -10.427 -3.923 2.095 324 HH12 ARG 45 HH12 ARG 45 -12.067 -4.353 2.499 325 HH21 ARG 45 HH21 ARG 45 -13.191 -1.084 2.692 326 HH22 ARG 45 HH22 ARG 45 -13.593 -2.774 2.847 327 H ALA 46 H ALA 46 -5.940 1.074 1.189 328 HA ALA 46 HA ALA 46 -4.965 1.267 -1.569 329 HB1 ALA 46 HB1 ALA 46 -3.069 -0.233 -0.615 330 HB2 ALA 46 HB2 ALA 46 -3.242 1.326 0.244 331 HB3 ALA 46 HB3 ALA 46 -3.897 -0.153 0.980 332 H LEU 47 H LEU 47 -6.315 0.080 -2.909 333 HA LEU 47 HA LEU 47 -7.762 -2.268 -2.065 334 HB2 LEU 47 HB2 LEU 47 -7.049 -0.970 -4.667 335 HB3 LEU 47 HB3 LEU 47 -7.631 -2.618 -4.704 336 HG LEU 47 HG LEU 47 -9.785 -1.977 -3.923 337 HD11 LEU 47 HD11 LEU 47 -9.322 -0.186 -2.386 338 HD12 LEU 47 HD12 LEU 47 -8.666 0.820 -3.691 339 HD13 LEU 47 HD13 LEU 47 -10.398 0.406 -3.663 340 HD21 LEU 47 HD21 LEU 47 -8.923 -1.813 -6.313 341 HD22 LEU 47 HD22 LEU 47 -10.383 -0.842 -5.956 342 HD23 LEU 47 HD23 LEU 47 -8.787 -0.056 -6.064 343 H GLN 48 H GLN 48 -4.807 -1.765 -3.919 344 HA GLN 48 HA GLN 48 -4.091 -4.593 -3.562 345 HB2 GLN 48 HB2 GLN 48 -5.637 -4.363 -5.569 346 HB3 GLN 48 HB3 GLN 48 -4.470 -3.256 -6.286 347 HG2 GLN 48 HG2 GLN 48 -4.207 -5.509 -7.217 348 HG3 GLN 48 HG3 GLN 48 -2.756 -5.036 -6.321 349 HE21 GLN 48 HE21 GLN 48 -5.569 -7.128 -6.368 350 HE22 GLN 48 HE22 GLN 48 -5.028 -8.190 -5.089 351 H VAL 49 H VAL 49 -1.923 -4.704 -3.245 352 HA VAL 49 HA VAL 49 -0.367 -2.299 -3.788 353 HB VAL 49 HB VAL 49 0.178 -4.798 -2.220 354 HG11 VAL 49 HG11 VAL 49 2.105 -4.821 -3.780 355 HG12 VAL 49 HG12 VAL 49 2.416 -3.099 -3.436 356 HG13 VAL 49 HG13 VAL 49 2.613 -4.323 -2.163 357 HG21 VAL 49 HG21 VAL 49 0.979 -1.809 -1.896 358 HG22 VAL 49 HG22 VAL 49 -0.466 -2.594 -1.175 359 HG23 VAL 49 HG23 VAL 49 1.151 -3.115 -0.676 360 H VAL 50 H VAL 50 0.745 -1.919 -5.556 361 HA VAL 50 HA VAL 50 0.703 -3.923 -7.697 362 HB VAL 50 HB VAL 50 2.092 -1.191 -7.656 363 HG11 VAL 50 HG11 VAL 50 1.885 -1.323 -10.115 364 HG12 VAL 50 HG12 VAL 50 2.789 -2.717 -9.500 365 HG13 VAL 50 HG13 VAL 50 1.090 -2.910 -9.978 366 HG21 VAL 50 HG21 VAL 50 0.074 -0.378 -8.843 367 HG22 VAL 50 HG22 VAL 50 -0.723 -1.926 -8.476 368 HG23 VAL 50 HG23 VAL 50 -0.231 -0.835 -7.160 369 H ARG 51 H ARG 51 3.051 -2.186 -5.624 370 HA ARG 51 HA ARG 51 5.028 -4.385 -6.011 371 HB2 ARG 51 HB2 ARG 51 5.706 -1.446 -6.447 372 HB3 ARG 51 HB3 ARG 51 6.837 -2.790 -6.491 373 HG2 ARG 51 HG2 ARG 51 4.622 -2.302 -8.503 374 HG3 ARG 51 HG3 ARG 51 6.326 -1.903 -8.727 375 HD2 ARG 51 HD2 ARG 51 6.902 -4.297 -8.437 376 HD3 ARG 51 HD3 ARG 51 5.183 -4.669 -8.311 377 HE ARG 51 HE ARG 51 6.591 -3.725 -10.748 378 HH11 ARG 51 HH11 ARG 51 3.678 -5.141 -9.301 379 HH12 ARG 51 HH12 ARG 51 3.017 -5.559 -10.865 380 HH21 ARG 51 HH21 ARG 51 5.655 -4.275 -12.685 381 HH22 ARG 51 HH22 ARG 51 4.107 -5.069 -12.730 382 H ALA 52 H ALA 52 6.428 -4.592 -4.232 383 HA ALA 52 HA ALA 52 6.401 -2.433 -2.194 384 HB1 ALA 52 HB1 ALA 52 5.761 -5.380 -1.630 385 HB2 ALA 52 HB2 ALA 52 6.073 -4.143 -0.393 386 HB3 ALA 52 HB3 ALA 52 4.642 -4.009 -1.432 387 H ARG 53 H ARG 53 8.415 -1.920 -1.890 388 HA ARG 53 HA ARG 53 10.445 -4.050 -1.839 389 HB2 ARG 53 HB2 ARG 53 11.770 -3.061 -3.659 390 HB3 ARG 53 HB3 ARG 53 10.242 -3.716 -4.203 391 HG2 ARG 53 HG2 ARG 53 10.586 -0.823 -3.678 392 HG3 ARG 53 HG3 ARG 53 11.028 -1.569 -5.215 393 HD2 ARG 53 HD2 ARG 53 8.653 -2.572 -5.163 394 HD3 ARG 53 HD3 ARG 53 8.329 -1.360 -3.921 395 HE ARG 53 HE ARG 53 8.118 0.244 -5.538 396 HH11 ARG 53 HH11 ARG 53 9.844 -2.487 -7.015 397 HH12 ARG 53 HH12 ARG 53 9.757 -1.773 -8.604 398 HH21 ARG 53 HH21 ARG 53 7.985 1.030 -7.552 399 HH22 ARG 53 HH22 ARG 53 8.739 0.212 -8.904 400 H LYS 54 H LYS 54 12.621 -3.193 -1.694 401 HA LYS 54 HA LYS 54 12.654 -0.745 -0.025 402 HB2 LYS 54 HB2 LYS 54 13.587 -3.578 0.664 403 HB3 LYS 54 HB3 LYS 54 14.196 -2.153 1.521 404 HG2 LYS 54 HG2 LYS 54 12.495 -2.300 2.874 405 HG3 LYS 54 HG3 LYS 54 11.454 -1.829 1.533 406 HD2 LYS 54 HD2 LYS 54 11.184 -4.330 1.008 407 HD3 LYS 54 HD3 LYS 54 11.976 -4.633 2.571 408 HE2 LYS 54 HE2 LYS 54 9.377 -3.165 2.010 409 HE3 LYS 54 HE3 LYS 54 9.630 -4.592 3.026 410 HZ1 LYS 54 HZ1 LYS 54 10.519 -1.823 3.642 411 HZ2 LYS 54 HZ2 LYS 54 9.297 -2.642 4.392 412 HZ3 LYS 54 HZ3 LYS 54 10.865 -3.133 4.577 413 H GLN 55 H GLN 55 14.741 0.189 0.141 414 HA GLN 55 HA GLN 55 16.801 -0.851 -1.773 415 HB2 GLN 55 HB2 GLN 55 15.604 1.179 -2.615 416 HB3 GLN 55 HB3 GLN 55 15.995 2.007 -1.107 417 HG2 GLN 55 HG2 GLN 55 18.413 1.811 -1.652 418 HG3 GLN 55 HG3 GLN 55 17.980 1.052 -3.193 419 HE21 GLN 55 HE21 GLN 55 19.281 2.946 -3.982 420 HE22 GLN 55 HE22 GLN 55 18.417 4.435 -4.272 421 H ILE 56 H ILE 56 18.553 -1.461 -0.586 422 HA ILE 56 HA ILE 56 18.830 -0.273 2.144 423 HB ILE 56 HB ILE 56 19.938 -2.866 1.022 424 HG12 ILE 56 HG12 ILE 56 17.582 -2.156 2.808 425 HG13 ILE 56 HG13 ILE 56 17.542 -3.002 1.259 426 HG21 ILE 56 HG21 ILE 56 20.669 -3.337 3.341 427 HG22 ILE 56 HG22 ILE 56 21.406 -1.828 2.799 428 HG23 ILE 56 HG23 ILE 56 20.007 -1.779 3.899 429 HD11 ILE 56 HD11 ILE 56 18.832 -4.877 2.401 430 HD12 ILE 56 HD12 ILE 56 18.473 -4.041 3.933 431 HD13 ILE 56 HD13 ILE 56 17.147 -4.632 2.912 432 H GLY 57 H GLY 57 20.561 0.934 2.673 433 HA2 GLY 57 HA2 GLY 57 23.135 0.681 1.415 434 HA3 GLY 57 HA3 GLY 57 22.258 2.123 0.827 435 H ALA 58 H ALA 58 23.838 3.481 1.995 436 HA ALA 58 HA ALA 58 24.212 3.330 4.826 437 HB1 ALA 58 HB1 ALA 58 24.970 5.692 4.610 438 HB2 ALA 58 HB2 ALA 58 25.685 4.665 3.349 439 HB3 ALA 58 HB3 ALA 58 24.326 5.749 2.955 440 H GLY 59 H GLY 59 21.711 4.673 2.773 441 HA2 GLY 59 HA2 GLY 59 20.077 5.294 5.192 442 HA3 GLY 59 HA3 GLY 59 19.948 6.201 3.649 443 H VAL 60 H VAL 60 17.802 4.531 4.834 444 HA VAL 60 HA VAL 60 17.737 2.350 2.779 445 HB VAL 60 HB VAL 60 16.612 2.334 5.619 446 HG11 VAL 60 HG11 VAL 60 16.432 0.213 3.435 447 HG12 VAL 60 HG12 VAL 60 15.910 0.011 5.124 448 HG13 VAL 60 HG13 VAL 60 15.081 1.179 4.078 449 HG21 VAL 60 HG21 VAL 60 19.058 1.921 5.501 450 HG22 VAL 60 HG22 VAL 60 18.179 0.459 5.985 451 HG23 VAL 60 HG23 VAL 60 18.784 0.625 4.321 452 H ASN 61 H ASN 61 15.953 2.333 1.478 453 HA ASN 61 HA ASN 61 13.858 4.382 2.132 454 HB2 ASN 61 HB2 ASN 61 15.641 5.008 0.381 455 HB3 ASN 61 HB3 ASN 61 14.891 3.786 -0.650 456 HD21 ASN 61 HD21 ASN 61 14.686 5.783 -1.974 457 HD22 ASN 61 HD22 ASN 61 13.219 6.713 -1.766 458 H TYR 62 H TYR 62 11.809 3.651 2.063 459 HA TYR 62 HA TYR 62 11.372 0.947 0.846 460 HB2 TYR 62 HB2 TYR 62 9.584 2.518 2.720 461 HB3 TYR 62 HB3 TYR 62 9.334 0.866 2.181 462 HD1 TYR 62 HD1 TYR 62 9.436 1.943 5.083 463 HD2 TYR 62 HD2 TYR 62 12.438 0.123 2.588 464 HE1 TYR 62 HE1 TYR 62 10.631 1.112 7.103 465 HE2 TYR 62 HE2 TYR 62 13.595 -0.728 4.621 466 HH TYR 62 HH TYR 62 12.472 0.002 7.911 467 H PHE 63 H PHE 63 10.019 0.697 -0.860 468 HA PHE 63 HA PHE 63 8.487 3.126 -1.776 469 HB2 PHE 63 HB2 PHE 63 9.622 0.814 -3.370 470 HB3 PHE 63 HB3 PHE 63 8.652 2.109 -4.044 471 HD1 PHE 63 HD1 PHE 63 11.910 1.466 -2.240 472 HD2 PHE 63 HD2 PHE 63 9.707 3.994 -4.947 473 HE1 PHE 63 HE1 PHE 63 13.977 2.762 -2.704 474 HE2 PHE 63 HE2 PHE 63 11.784 5.288 -5.422 475 HZ PHE 63 HZ PHE 63 13.924 4.671 -4.300 476 H LEU 64 H LEU 64 6.318 2.796 -1.608 477 HA LEU 64 HA LEU 64 5.351 -0.020 -1.855 478 HB2 LEU 64 HB2 LEU 64 5.382 0.870 0.521 479 HB3 LEU 64 HB3 LEU 64 4.228 2.093 0.025 480 HG LEU 64 HG LEU 64 3.383 0.017 1.267 481 HD11 LEU 64 HD11 LEU 64 1.888 1.617 0.095 482 HD12 LEU 64 HD12 LEU 64 2.021 0.629 -1.378 483 HD13 LEU 64 HD13 LEU 64 1.277 -0.050 0.085 484 HD21 LEU 64 HD21 LEU 64 2.987 -1.988 -0.017 485 HD22 LEU 64 HD22 LEU 64 3.620 -1.263 -1.488 486 HD23 LEU 64 HD23 LEU 64 4.707 -1.604 -0.117 487 H ASP 65 H ASP 65 4.210 -0.171 -3.629 488 HA ASP 65 HA ASP 65 2.714 2.278 -4.553 489 HB2 ASP 65 HB2 ASP 65 3.911 -0.035 -6.189 490 HB3 ASP 65 HB3 ASP 65 3.061 1.368 -6.852 491 H VAL 66 H VAL 66 0.906 2.229 -5.125 492 HA VAL 66 HA VAL 66 -0.769 -0.083 -4.734 493 HB VAL 66 HB VAL 66 -0.042 1.516 -2.512 494 HG11 VAL 66 HG11 VAL 66 -2.211 2.043 -1.652 495 HG12 VAL 66 HG12 VAL 66 -2.017 2.872 -3.196 496 HG13 VAL 66 HG13 VAL 66 -3.013 1.389 -3.112 497 HG21 VAL 66 HG21 VAL 66 -1.125 -0.094 -1.371 498 HG22 VAL 66 HG22 VAL 66 -2.106 -0.565 -2.801 499 HG23 VAL 66 HG23 VAL 66 -0.361 -0.771 -2.781 500 H GLU 67 H GLU 67 -2.713 -0.191 -5.262 501 HA GLU 67 HA GLU 67 -3.708 1.923 -7.069 502 HB2 GLU 67 HB2 GLU 67 -3.722 -0.537 -7.662 503 HB3 GLU 67 HB3 GLU 67 -4.930 -0.774 -6.391 504 HG2 GLU 67 HG2 GLU 67 -6.412 0.854 -7.557 505 HG3 GLU 67 HG3 GLU 67 -5.201 0.988 -8.847 506 H LEU 68 H LEU 68 -5.269 3.313 -6.519 507 HA LEU 68 HA LEU 68 -6.641 2.958 -3.895 508 HB2 LEU 68 HB2 LEU 68 -5.860 5.330 -5.523 509 HB3 LEU 68 HB3 LEU 68 -7.337 5.442 -4.594 510 HG LEU 68 HG LEU 68 -5.162 6.385 -3.615 511 HD11 LEU 68 HD11 LEU 68 -7.342 6.176 -2.479 512 HD12 LEU 68 HD12 LEU 68 -6.897 4.535 -1.948 513 HD13 LEU 68 HD13 LEU 68 -5.976 5.953 -1.381 514 HD21 LEU 68 HD21 LEU 68 -3.816 4.943 -2.249 515 HD22 LEU 68 HD22 LEU 68 -4.793 3.519 -2.685 516 HD23 LEU 68 HD23 LEU 68 -3.779 4.315 -3.909 517 H GLY 69 H GLY 69 -8.746 3.360 -3.626 518 HA2 GLY 69 HA2 GLY 69 -10.599 3.962 -5.693 519 HA3 GLY 69 HA3 GLY 69 -10.530 2.188 -5.422 520 H ARG 70 H ARG 70 -12.866 3.482 -4.671 521 HA ARG 70 HA ARG 70 -12.556 3.728 -1.711 522 HB2 ARG 70 HB2 ARG 70 -14.846 4.838 -3.360 523 HB3 ARG 70 HB3 ARG 70 -14.434 5.192 -1.671 524 HG2 ARG 70 HG2 ARG 70 -12.158 6.030 -2.714 525 HG3 ARG 70 HG3 ARG 70 -13.090 6.107 -4.211 526 HD2 ARG 70 HD2 ARG 70 -14.763 7.558 -2.890 527 HD3 ARG 70 HD3 ARG 70 -13.476 7.687 -1.663 528 HE ARG 70 HE ARG 70 -12.841 8.279 -4.530 529 HH11 ARG 70 HH11 ARG 70 -13.151 9.577 -1.220 530 HH12 ARG 70 HH12 ARG 70 -12.410 11.078 -1.692 531 HH21 ARG 70 HH21 ARG 70 -11.909 10.141 -4.991 532 HH22 ARG 70 HH22 ARG 70 -11.686 11.395 -3.787 533 H THR 71 H THR 71 -13.839 2.449 -0.438 534 HA THR 71 HA THR 71 -15.208 0.243 -1.928 535 HB THR 71 HB THR 71 -14.670 -1.154 0.079 536 HG1 THR 71 HG1 THR 71 -14.399 0.844 1.425 537 HG21 THR 71 HG21 THR 71 -13.149 -1.065 -1.929 538 HG22 THR 71 HG22 THR 71 -12.192 0.181 -1.090 539 HG23 THR 71 HG23 THR 71 -12.315 -1.457 -0.413 540 H THR 72 H THR 72 -17.099 -0.632 -1.136 541 HA THR 72 HA THR 72 -18.881 1.317 0.061 542 HB THR 72 HB THR 72 -20.517 -0.626 -0.005 543 HG1 THR 72 HG1 THR 72 -18.565 -2.057 -1.459 544 HG21 THR 72 HG21 THR 72 -18.922 -0.171 -2.566 545 HG22 THR 72 HG22 THR 72 -20.575 -0.812 -2.457 546 HG23 THR 72 HG23 THR 72 -20.242 0.863 -1.965 547 H CYS 73 H CYS 73 -17.010 -1.396 1.307 548 HA CYS 73 HA CYS 73 -18.478 -1.228 3.886 549 HB2 CYS 73 HB2 CYS 73 -17.242 -3.242 4.482 550 HB3 CYS 73 HB3 CYS 73 -18.174 -3.468 2.988 551 H THR 74 H THR 74 -17.303 -1.470 5.853 552 HA THR 74 HA THR 74 -14.778 0.061 5.866 553 HB THR 74 HB THR 74 -15.209 0.624 8.140 554 HG1 THR 74 HG1 THR 74 -16.886 -0.585 9.290 555 HG21 THR 74 HG21 THR 74 -17.338 1.492 8.333 556 HG22 THR 74 HG22 THR 74 -16.995 1.547 6.595 557 HG23 THR 74 HG23 THR 74 -18.055 0.274 7.259 558 H LYS 75 H LYS 75 -13.409 -0.667 7.788 559 HA LYS 75 HA LYS 75 -12.495 -3.307 7.420 560 HB2 LYS 75 HB2 LYS 75 -11.151 -2.795 9.473 561 HB3 LYS 75 HB3 LYS 75 -11.097 -1.489 8.277 562 HG2 LYS 75 HG2 LYS 75 -12.816 -0.199 9.559 563 HG3 LYS 75 HG3 LYS 75 -12.914 -1.521 10.739 564 HD2 LYS 75 HD2 LYS 75 -10.484 -1.234 11.240 565 HD3 LYS 75 HD3 LYS 75 -10.472 0.189 10.177 566 HE2 LYS 75 HE2 LYS 75 -12.181 1.271 11.598 567 HE3 LYS 75 HE3 LYS 75 -12.240 -0.169 12.637 568 HZ1 LYS 75 HZ1 LYS 75 -10.820 1.548 13.578 569 HZ2 LYS 75 HZ2 LYS 75 -9.918 0.218 13.207 570 HZ3 LYS 75 HZ3 LYS 75 -9.854 1.552 12.240 571 H THR 76 H THR 76 -14.992 -2.156 9.508 572 HA THR 76 HA THR 76 -14.969 -4.641 11.113 573 HB THR 76 HB THR 76 -16.985 -3.182 11.857 574 HG1 THR 76 HG1 THR 76 -16.689 -1.064 11.678 575 HG21 THR 76 HG21 THR 76 -14.098 -2.627 12.671 576 HG22 THR 76 HG22 THR 76 -15.518 -2.156 13.634 577 HG23 THR 76 HG23 THR 76 -15.148 -3.875 13.383 578 H GLN 77 H GLN 77 -16.613 -3.167 8.682 579 HA GLN 77 HA GLN 77 -19.286 -3.897 9.091 580 HB2 GLN 77 HB2 GLN 77 -17.689 -3.343 6.629 581 HB3 GLN 77 HB3 GLN 77 -19.299 -4.032 6.434 582 HG2 GLN 77 HG2 GLN 77 -18.744 -1.570 8.068 583 HG3 GLN 77 HG3 GLN 77 -19.170 -1.523 6.348 584 HE21 GLN 77 HE21 GLN 77 -21.286 -2.309 5.712 585 HE22 GLN 77 HE22 GLN 77 -22.588 -2.247 6.872 586 HA PRO 78 HA PRO 78 -19.479 -8.275 8.585 587 HB2 PRO 78 HB2 PRO 78 -22.124 -8.583 8.051 588 HB3 PRO 78 HB3 PRO 78 -21.559 -7.936 9.626 589 HG2 PRO 78 HG2 PRO 78 -22.501 -6.426 7.190 590 HG3 PRO 78 HG3 PRO 78 -23.051 -6.267 8.888 591 HD2 PRO 78 HD2 PRO 78 -21.179 -4.601 7.812 592 HD3 PRO 78 HD3 PRO 78 -21.108 -5.123 9.528 593 H ASN 79 H ASN 79 -18.719 -6.699 6.095 594 HA ASN 79 HA ASN 79 -20.014 -8.493 4.091 595 HB2 ASN 79 HB2 ASN 79 -19.283 -5.580 3.648 596 HB3 ASN 79 HB3 ASN 79 -20.210 -6.626 2.564 597 HD21 ASN 79 HD21 ASN 79 -22.217 -7.631 3.741 598 HD22 ASN 79 HD22 ASN 79 -23.160 -6.473 4.643 599 H LEU 80 H LEU 80 -17.063 -8.129 5.398 600 HA LEU 80 HA LEU 80 -15.414 -7.139 3.382 601 HB2 LEU 80 HB2 LEU 80 -14.941 -8.864 5.742 602 HB3 LEU 80 HB3 LEU 80 -13.691 -8.831 4.507 603 HG LEU 80 HG LEU 80 -13.812 -6.265 4.661 604 HD11 LEU 80 HD11 LEU 80 -15.800 -5.994 6.003 605 HD12 LEU 80 HD12 LEU 80 -15.114 -7.001 7.299 606 HD13 LEU 80 HD13 LEU 80 -14.395 -5.424 6.914 607 HD21 LEU 80 HD21 LEU 80 -11.929 -7.626 5.369 608 HD22 LEU 80 HD22 LEU 80 -12.198 -6.310 6.535 609 HD23 LEU 80 HD23 LEU 80 -12.718 -7.966 6.931 610 H ASP 81 H ASP 81 -16.872 -10.299 3.004 611 HA ASP 81 HA ASP 81 -14.675 -11.029 1.171 612 HB2 ASP 81 HB2 ASP 81 -17.313 -12.453 1.305 613 HB3 ASP 81 HB3 ASP 81 -15.701 -13.120 1.001 614 H ASN 82 H ASN 82 -18.045 -10.028 1.071 615 HA ASN 82 HA ASN 82 -18.171 -10.261 -1.855 616 HB2 ASN 82 HB2 ASN 82 -20.101 -10.800 -0.345 617 HB3 ASN 82 HB3 ASN 82 -20.213 -9.078 0.055 618 HD21 ASN 82 HD21 ASN 82 -21.890 -8.210 -0.970 619 HD22 ASN 82 HD22 ASN 82 -22.318 -8.513 -2.636 620 H CYS 83 H CYS 83 -17.762 -7.732 0.542 621 HA CYS 83 HA CYS 83 -18.441 -5.507 -1.093 622 HB2 CYS 83 HB2 CYS 83 -18.276 -5.066 1.170 623 HB3 CYS 83 HB3 CYS 83 -16.781 -5.973 1.349 624 HA PRO 84 HA PRO 84 -14.107 -5.032 -2.601 625 HB2 PRO 84 HB2 PRO 84 -12.120 -6.861 -2.283 626 HB3 PRO 84 HB3 PRO 84 -12.456 -5.570 -1.084 627 HG2 PRO 84 HG2 PRO 84 -13.338 -8.415 -1.087 628 HG3 PRO 84 HG3 PRO 84 -12.570 -7.464 0.227 629 HD2 PRO 84 HD2 PRO 84 -15.234 -7.871 0.105 630 HD3 PRO 84 HD3 PRO 84 -14.530 -6.334 0.712 631 H PHE 85 H PHE 85 -15.395 -8.385 -2.593 632 HA PHE 85 HA PHE 85 -14.439 -9.165 -5.169 633 HB2 PHE 85 HB2 PHE 85 -15.541 -10.712 -3.632 634 HB3 PHE 85 HB3 PHE 85 -17.041 -9.786 -3.730 635 HD1 PHE 85 HD1 PHE 85 -14.683 -11.846 -5.775 636 HD2 PHE 85 HD2 PHE 85 -18.651 -10.223 -5.388 637 HE1 PHE 85 HE1 PHE 85 -15.423 -13.204 -7.729 638 HE2 PHE 85 HE2 PHE 85 -19.405 -11.584 -7.332 639 HZ PHE 85 HZ PHE 85 -17.790 -13.077 -8.512 640 H HIS 86 H HIS 86 -17.214 -7.153 -4.181 641 HA HIS 86 HA HIS 86 -18.107 -6.779 -6.959 642 HB2 HIS 86 HB2 HIS 86 -19.817 -6.748 -5.308 643 HB3 HIS 86 HB3 HIS 86 -18.885 -5.695 -4.240 644 HD1 HIS 86 HD1 HIS 86 -18.982 -3.133 -4.677 645 HD2 HIS 86 HD2 HIS 86 -21.147 -5.405 -7.405 646 HE1 HIS 86 HE1 HIS 86 -20.423 -1.523 -5.969 647 H ASP 87 H ASP 87 -16.378 -4.935 -4.464 648 HA ASP 87 HA ASP 87 -16.502 -2.440 -5.841 649 HB2 ASP 87 HB2 ASP 87 -14.754 -3.426 -3.569 650 HB3 ASP 87 HB3 ASP 87 -14.706 -1.767 -4.183 651 H GLN 88 H GLN 88 -13.774 -4.841 -5.667 652 HA GLN 88 HA GLN 88 -11.946 -3.097 -6.978 653 HB2 GLN 88 HB2 GLN 88 -12.097 -6.057 -6.622 654 HB3 GLN 88 HB3 GLN 88 -11.014 -5.418 -7.873 655 HG2 GLN 88 HG2 GLN 88 -9.975 -3.961 -6.264 656 HG3 GLN 88 HG3 GLN 88 -11.023 -4.585 -4.982 657 HE21 GLN 88 HE21 GLN 88 -8.825 -4.997 -4.008 658 HE22 GLN 88 HE22 GLN 88 -8.070 -6.523 -4.379 659 HA PRO 89 HA PRO 89 -13.177 -4.549 -11.111 660 HB2 PRO 89 HB2 PRO 89 -15.573 -5.765 -11.677 661 HB3 PRO 89 HB3 PRO 89 -14.106 -6.697 -11.234 662 HG2 PRO 89 HG2 PRO 89 -16.360 -5.788 -9.442 663 HG3 PRO 89 HG3 PRO 89 -15.683 -7.433 -9.640 664 HD2 PRO 89 HD2 PRO 89 -14.905 -5.835 -7.643 665 HD3 PRO 89 HD3 PRO 89 -13.729 -6.887 -8.493 666 H HIS 90 H HIS 90 -15.613 -3.333 -8.839 667 HA HIS 90 HA HIS 90 -17.166 -1.865 -10.779 668 HB2 HIS 90 HB2 HIS 90 -17.734 -2.401 -8.307 669 HB3 HIS 90 HB3 HIS 90 -16.773 -0.975 -7.921 670 HD1 HIS 90 HD1 HIS 90 -20.166 -1.953 -8.620 671 HD2 HIS 90 HD2 HIS 90 -17.830 1.370 -9.500 672 HE1 HIS 90 HE1 HIS 90 -21.757 -0.090 -9.224 673 H LEU 91 H LEU 91 -14.102 -1.295 -9.115 674 HA LEU 91 HA LEU 91 -13.956 1.517 -9.833 675 HB2 LEU 91 HB2 LEU 91 -12.025 -0.514 -8.757 676 HB3 LEU 91 HB3 LEU 91 -11.375 0.918 -9.524 677 HG LEU 91 HG LEU 91 -11.327 1.196 -7.163 678 HD11 LEU 91 HD11 LEU 91 -13.526 2.954 -8.346 679 HD12 LEU 91 HD12 LEU 91 -12.499 3.345 -6.961 680 HD13 LEU 91 HD13 LEU 91 -11.777 3.191 -8.568 681 HD21 LEU 91 HD21 LEU 91 -14.337 0.804 -7.154 682 HD22 LEU 91 HD22 LEU 91 -13.111 -0.245 -6.413 683 HD23 LEU 91 HD23 LEU 91 -13.368 1.388 -5.785 684 H LYS 92 H LYS 92 -14.685 1.347 -11.994 685 HA LYS 92 HA LYS 92 -13.031 0.105 -14.054 686 HB2 LYS 92 HB2 LYS 92 -15.510 1.677 -13.890 687 HB3 LYS 92 HB3 LYS 92 -14.485 2.212 -15.221 688 HG2 LYS 92 HG2 LYS 92 -16.071 0.531 -16.014 689 HG3 LYS 92 HG3 LYS 92 -14.415 -0.069 -16.138 690 HD2 LYS 92 HD2 LYS 92 -15.782 -1.884 -15.340 691 HD3 LYS 92 HD3 LYS 92 -14.761 -1.360 -14.002 692 HE2 LYS 92 HE2 LYS 92 -16.927 -1.747 -13.095 693 HE3 LYS 92 HE3 LYS 92 -16.717 0.008 -13.147 694 HZ1 LYS 92 HZ1 LYS 92 -18.041 0.029 -15.178 695 HZ2 LYS 92 HZ2 LYS 92 -18.248 -1.605 -15.096 696 HZ3 LYS 92 HZ3 LYS 92 -18.888 -0.633 -13.927 697 H ARG 93 H ARG 93 -13.278 3.242 -12.446 698 HA ARG 93 HA ARG 93 -10.972 4.253 -14.013 699 HB2 ARG 93 HB2 ARG 93 -11.265 6.337 -12.911 700 HB3 ARG 93 HB3 ARG 93 -12.899 5.804 -13.291 701 HG2 ARG 93 HG2 ARG 93 -13.163 5.058 -10.894 702 HG3 ARG 93 HG3 ARG 93 -11.533 5.678 -10.568 703 HD2 ARG 93 HD2 ARG 93 -12.836 7.465 -9.895 704 HD3 ARG 93 HD3 ARG 93 -12.432 7.919 -11.552 705 HE ARG 93 HE ARG 93 -14.659 7.497 -12.212 706 HH11 ARG 93 HH11 ARG 93 -14.261 6.832 -8.737 707 HH12 ARG 93 HH12 ARG 93 -15.990 6.777 -8.489 708 HH21 ARG 93 HH21 ARG 93 -16.833 7.429 -11.769 709 HH22 ARG 93 HH22 ARG 93 -17.402 7.121 -10.153 710 H LYS 94 H LYS 94 -8.901 4.016 -13.146 711 HA LYS 94 HA LYS 94 -8.757 2.967 -10.352 712 HB2 LYS 94 HB2 LYS 94 -7.265 1.964 -12.803 713 HB3 LYS 94 HB3 LYS 94 -6.794 1.601 -11.130 714 HG2 LYS 94 HG2 LYS 94 -9.079 0.692 -10.744 715 HG3 LYS 94 HG3 LYS 94 -9.413 0.873 -12.473 716 HD2 LYS 94 HD2 LYS 94 -7.600 -0.673 -13.017 717 HD3 LYS 94 HD3 LYS 94 -7.162 -0.792 -11.305 718 HE2 LYS 94 HE2 LYS 94 -9.802 -1.675 -12.543 719 HE3 LYS 94 HE3 LYS 94 -8.499 -2.740 -11.968 720 HZ1 LYS 94 HZ1 LYS 94 -10.194 -0.951 -10.328 721 HZ2 LYS 94 HZ2 LYS 94 -10.155 -2.596 -10.273 722 HZ3 LYS 94 HZ3 LYS 94 -8.854 -1.718 -9.730 723 H ALA 95 H ALA 95 -7.115 3.739 -9.145 724 HA ALA 95 HA ALA 95 -5.505 5.928 -10.402 725 HB1 ALA 95 HB1 ALA 95 -7.123 6.955 -8.987 726 HB2 ALA 95 HB2 ALA 95 -6.914 5.723 -7.725 727 HB3 ALA 95 HB3 ALA 95 -5.622 6.887 -8.049 728 H PHE 96 H PHE 96 -3.338 5.933 -9.805 729 HA PHE 96 HA PHE 96 -2.567 3.769 -7.916 730 HB2 PHE 96 HB2 PHE 96 -1.082 4.593 -10.419 731 HB3 PHE 96 HB3 PHE 96 -0.561 3.390 -9.226 732 HD1 PHE 96 HD1 PHE 96 -1.782 1.242 -8.978 733 HD2 PHE 96 HD2 PHE 96 -2.770 4.054 -12.083 734 HE1 PHE 96 HE1 PHE 96 -3.067 -0.531 -10.167 735 HE2 PHE 96 HE2 PHE 96 -4.058 2.288 -13.279 736 HZ PHE 96 HZ PHE 96 -4.215 -0.009 -12.314 737 H CYS 97 H CYS 97 -1.260 4.296 -6.376 738 HA CYS 97 HA CYS 97 -0.202 7.089 -6.231 739 HB2 CYS 97 HB2 CYS 97 -1.215 5.204 -4.072 740 HB3 CYS 97 HB3 CYS 97 -0.495 6.793 -3.782 741 H SER 98 H SER 98 1.796 7.310 -4.977 742 HA SER 98 HA SER 98 3.272 4.751 -4.528 743 HB2 SER 98 HB2 SER 98 4.346 7.300 -5.798 744 HB3 SER 98 HB3 SER 98 5.351 5.954 -5.223 745 HG SER 98 HG SER 98 4.388 4.605 -6.716 746 H PHE 99 H PHE 99 4.087 4.611 -2.570 747 HA PHE 99 HA PHE 99 4.223 7.123 -0.943 748 HB2 PHE 99 HB2 PHE 99 3.588 4.290 -0.044 749 HB3 PHE 99 HB3 PHE 99 3.720 5.707 1.005 750 HD1 PHE 99 HD1 PHE 99 2.051 7.593 0.754 751 HD2 PHE 99 HD2 PHE 99 1.565 3.805 -1.232 752 HE1 PHE 99 HE1 PHE 99 -0.349 8.118 0.353 753 HE2 PHE 99 HE2 PHE 99 -0.843 4.317 -1.623 754 HZ PHE 99 HZ PHE 99 -1.806 6.479 -0.832 755 H GLN 100 H GLN 100 6.090 7.559 -0.034 756 HA GLN 100 HA GLN 100 8.299 5.548 -0.351 757 HB2 GLN 100 HB2 GLN 100 8.391 7.454 -1.980 758 HB3 GLN 100 HB3 GLN 100 8.374 8.567 -0.616 759 HG2 GLN 100 HG2 GLN 100 10.593 8.554 -0.956 760 HG3 GLN 100 HG3 GLN 100 10.514 7.139 0.099 761 HE21 GLN 100 HE21 GLN 100 10.243 5.015 -1.025 762 HE22 GLN 100 HE22 GLN 100 11.083 4.822 -2.551 763 H ILE 101 H ILE 101 8.825 4.876 1.670 764 HA ILE 101 HA ILE 101 8.745 6.934 3.855 765 HB ILE 101 HB ILE 101 8.873 3.898 4.100 766 HG12 ILE 101 HG12 ILE 101 6.528 5.707 4.752 767 HG13 ILE 101 HG13 ILE 101 6.672 4.828 3.228 768 HG21 ILE 101 HG21 ILE 101 8.488 4.307 6.521 769 HG22 ILE 101 HG22 ILE 101 9.966 5.115 5.972 770 HG23 ILE 101 HG23 ILE 101 8.482 6.063 6.226 771 HD11 ILE 101 HD11 ILE 101 6.372 3.645 6.002 772 HD12 ILE 101 HD12 ILE 101 5.237 3.553 4.638 773 HD13 ILE 101 HD13 ILE 101 6.788 2.688 4.559 774 H TYR 102 H TYR 102 10.723 7.792 4.296 775 HA TYR 102 HA TYR 102 13.087 6.219 3.426 776 HB2 TYR 102 HB2 TYR 102 13.122 8.610 2.914 777 HB3 TYR 102 HB3 TYR 102 12.813 9.003 4.616 778 HD1 TYR 102 HD1 TYR 102 14.630 9.296 6.116 779 HD2 TYR 102 HD2 TYR 102 15.292 7.236 2.393 780 HE1 TYR 102 HE1 TYR 102 17.079 9.242 6.570 781 HE2 TYR 102 HE2 TYR 102 17.742 7.175 2.871 782 HH TYR 102 HH TYR 102 19.139 8.618 5.825 783 H ALA 103 H ALA 103 14.202 4.996 4.912 784 HA ALA 103 HA ALA 103 13.397 5.287 7.740 785 HB1 ALA 103 HB1 ALA 103 14.198 3.050 8.019 786 HB2 ALA 103 HB2 ALA 103 12.942 3.115 6.755 787 HB3 ALA 103 HB3 ALA 103 14.660 2.983 6.300 788 H VAL 104 H VAL 104 14.892 5.774 9.205 789 HA VAL 104 HA VAL 104 17.455 6.736 7.981 790 HB VAL 104 HB VAL 104 16.721 7.264 10.837 791 HG11 VAL 104 HG11 VAL 104 17.364 9.136 8.710 792 HG12 VAL 104 HG12 VAL 104 17.363 9.400 10.461 793 HG13 VAL 104 HG13 VAL 104 18.549 8.279 9.741 794 HG21 VAL 104 HG21 VAL 104 15.024 8.950 10.286 795 HG22 VAL 104 HG22 VAL 104 14.940 8.230 8.653 796 HG23 VAL 104 HG23 VAL 104 14.585 7.248 10.099 797 HA PRO 105 HA PRO 105 17.560 3.054 10.077 798 HB2 PRO 105 HB2 PRO 105 19.937 1.742 9.427 799 HB3 PRO 105 HB3 PRO 105 18.569 1.898 8.273 800 HG2 PRO 105 HG2 PRO 105 21.020 3.654 8.537 801 HG3 PRO 105 HG3 PRO 105 20.364 2.870 7.067 802 HD2 PRO 105 HD2 PRO 105 19.801 5.460 7.687 803 HD3 PRO 105 HD3 PRO 105 18.582 4.389 6.915 804 H TRP 106 H TRP 106 20.162 5.276 10.290 805 HA TRP 106 HA TRP 106 21.739 4.227 12.384 806 HB2 TRP 106 HB2 TRP 106 21.120 7.071 11.513 807 HB3 TRP 106 HB3 TRP 106 22.476 6.608 12.568 808 HD1 TRP 106 HD1 TRP 106 23.028 3.863 10.660 809 HE1 TRP 106 HE1 TRP 106 24.346 4.130 8.507 810 HE3 TRP 106 HE3 TRP 106 22.434 8.916 10.092 811 HZ2 TRP 106 HZ2 TRP 106 25.098 6.255 6.772 812 HZ3 TRP 106 HZ3 TRP 106 23.513 10.031 8.123 813 HH2 TRP 106 HH2 TRP 106 24.834 8.695 6.481 814 H GLN 107 H GLN 107 18.609 5.730 12.498 815 HA GLN 107 HA GLN 107 18.898 6.063 15.461 816 HB2 GLN 107 HB2 GLN 107 17.096 7.416 13.456 817 HB3 GLN 107 HB3 GLN 107 16.984 7.652 15.202 818 HG2 GLN 107 HG2 GLN 107 19.243 8.614 15.208 819 HG3 GLN 107 HG3 GLN 107 19.378 8.339 13.464 820 HE21 GLN 107 HE21 GLN 107 19.165 10.780 15.400 821 HE22 GLN 107 HE22 GLN 107 18.025 11.808 14.567 822 H GLY 108 H GLY 108 17.642 4.037 13.083 823 HA2 GLY 108 HA2 GLY 108 16.169 2.269 13.261 824 HA3 GLY 108 HA3 GLY 108 15.974 2.641 14.984 825 H THR 109 H THR 109 15.479 5.256 12.847 826 HA THR 109 HA THR 109 12.548 5.182 13.389 827 HB THR 109 HB THR 109 12.869 7.643 12.570 828 HG1 THR 109 HG1 THR 109 15.020 8.377 12.989 829 HG21 THR 109 HG21 THR 109 13.556 8.394 14.825 830 HG22 THR 109 HG22 THR 109 12.411 7.039 14.949 831 HG23 THR 109 HG23 THR 109 14.152 6.759 15.198 832 H MET 110 H MET 110 11.195 6.154 11.639 833 HA MET 110 HA MET 110 12.571 6.405 9.048 834 HB2 MET 110 HB2 MET 110 10.943 4.910 7.893 835 HB3 MET 110 HB3 MET 110 11.818 4.013 9.126 836 HG2 MET 110 HG2 MET 110 9.820 4.348 10.651 837 HG3 MET 110 HG3 MET 110 8.948 4.959 9.233 838 HE1 MET 110 HE1 MET 110 11.572 1.945 9.919 839 HE2 MET 110 HE2 MET 110 10.339 1.928 11.199 840 HE3 MET 110 HE3 MET 110 10.400 0.609 10.006 841 H THR 111 H THR 111 11.103 7.626 7.525 842 HA THR 111 HA THR 111 8.704 8.894 8.775 843 HB THR 111 HB THR 111 11.025 10.375 7.456 844 HG1 THR 111 HG1 THR 111 10.288 9.920 10.140 845 HG21 THR 111 HG21 THR 111 8.453 11.339 8.723 846 HG22 THR 111 HG22 THR 111 9.839 12.386 8.339 847 HG23 THR 111 HG23 THR 111 8.989 11.536 7.032 848 H LEU 112 H LEU 112 7.067 9.336 7.184 849 HA LEU 112 HA LEU 112 7.420 8.298 4.549 850 HB2 LEU 112 HB2 LEU 112 5.211 8.589 5.789 851 HB3 LEU 112 HB3 LEU 112 5.363 10.324 5.516 852 HG LEU 112 HG LEU 112 5.364 9.830 3.015 853 HD11 LEU 112 HD11 LEU 112 6.077 7.504 3.152 854 HD12 LEU 112 HD12 LEU 112 4.624 7.084 4.083 855 HD13 LEU 112 HD13 LEU 112 4.483 7.594 2.379 856 HD21 LEU 112 HD21 LEU 112 2.944 9.398 2.932 857 HD22 LEU 112 HD22 LEU 112 2.963 8.906 4.628 858 HD23 LEU 112 HD23 LEU 112 3.341 10.584 4.189 859 H SER 113 H SER 113 8.745 9.160 3.102 860 HA SER 113 HA SER 113 9.575 11.970 3.277 861 HB2 SER 113 HB2 SER 113 11.175 10.162 2.761 862 HB3 SER 113 HB3 SER 113 10.234 9.738 1.317 863 HG SER 113 HG SER 113 10.704 12.319 1.150 864 H LYS 114 H LYS 114 7.476 9.931 1.271 865 HA LYS 114 HA LYS 114 6.358 12.358 0.019 866 HB2 LYS 114 HB2 LYS 114 8.254 11.823 -1.455 867 HB3 LYS 114 HB3 LYS 114 7.651 10.179 -1.660 868 HG2 LYS 114 HG2 LYS 114 5.746 10.890 -2.904 869 HG3 LYS 114 HG3 LYS 114 5.999 12.586 -2.419 870 HD2 LYS 114 HD2 LYS 114 8.162 12.582 -3.656 871 HD3 LYS 114 HD3 LYS 114 7.772 10.950 -4.254 872 HE2 LYS 114 HE2 LYS 114 5.707 11.807 -5.258 873 HE3 LYS 114 HE3 LYS 114 6.040 13.422 -4.605 874 HZ1 LYS 114 HZ1 LYS 114 7.714 11.999 -6.599 875 HZ2 LYS 114 HZ2 LYS 114 6.684 13.245 -6.927 876 HZ3 LYS 114 HZ3 LYS 114 8.021 13.504 -5.995 877 H SER 115 H SER 115 4.302 12.135 -0.577 878 HA SER 115 HA SER 115 3.169 9.415 -0.962 879 HB2 SER 115 HB2 SER 115 1.030 10.356 0.031 880 HB3 SER 115 HB3 SER 115 2.317 10.109 1.221 881 HG SER 115 HG SER 115 1.743 12.577 -0.067 882 H THR 116 H THR 116 2.336 9.410 -3.001 883 HA THR 116 HA THR 116 1.360 12.007 -4.056 884 HB THR 116 HB THR 116 3.719 11.686 -4.897 885 HG1 THR 116 HG1 THR 116 1.833 11.390 -6.998 886 HG21 THR 116 HG21 THR 116 4.138 10.008 -6.631 887 HG22 THR 116 HG22 THR 116 3.778 9.252 -5.067 888 HG23 THR 116 HG23 THR 116 2.540 9.293 -6.344 889 H CYS 117 H CYS 117 -0.409 11.668 -5.519 890 HA CYS 117 HA CYS 117 -1.312 8.872 -5.729 891 HB2 CYS 117 HB2 CYS 117 -2.274 10.848 -3.782 892 HB3 CYS 117 HB3 CYS 117 -3.570 10.194 -4.778 893 H GLN 118 H GLN 118 -3.482 8.713 -6.655 894 HA GLN 118 HA GLN 118 -4.119 10.870 -8.627 895 HB2 GLN 118 HB2 GLN 118 -3.880 7.862 -9.019 896 HB3 GLN 118 HB3 GLN 118 -4.792 8.899 -10.138 897 HG2 GLN 118 HG2 GLN 118 -1.843 9.254 -9.487 898 HG3 GLN 118 HG3 GLN 118 -2.452 8.343 -10.874 899 HE21 GLN 118 HE21 GLN 118 -1.961 11.518 -9.490 900 HE22 GLN 118 HE22 GLN 118 -2.333 12.407 -10.953 901 H ASP 119 H ASP 119 -6.448 10.924 -9.083 902 HA ASP 119 HA ASP 119 -7.999 10.200 -6.705 903 HB2 ASP 119 HB2 ASP 119 -8.601 11.779 -9.220 904 HB3 ASP 119 HB3 ASP 119 -9.812 11.450 -7.969 905 H ALA 120 H ALA 120 -9.829 8.948 -6.593 906 HA ALA 120 HA ALA 120 -10.828 7.544 -8.977 907 HB1 ALA 120 HB1 ALA 120 -9.161 5.944 -8.298 908 HB2 ALA 120 HB2 ALA 120 -9.587 6.125 -6.581 909 HB3 ALA 120 HB3 ALA 120 -10.716 5.335 -7.708 Start of MODEL 15 1 H1 SER 1 H1 SER 1 6.649 -12.693 11.360 2 H2 SER 1 H2 SER 1 6.301 -12.480 12.925 3 H3 SER 1 H3 SER 1 5.523 -13.612 12.071 4 HA SER 1 HA SER 1 8.397 -13.642 12.715 5 HB2 SER 1 HB2 SER 1 6.818 -14.139 14.629 6 HB3 SER 1 HB3 SER 1 6.209 -15.520 13.689 7 HG SER 1 HG SER 1 7.856 -16.208 15.071 8 H SER 2 H SER 2 9.632 -15.001 11.512 9 HA SER 2 HA SER 2 8.478 -17.182 9.940 10 HB2 SER 2 HB2 SER 2 9.251 -16.050 7.782 11 HB3 SER 2 HB3 SER 2 7.810 -15.320 8.520 12 HG SER 2 HG SER 2 8.943 -13.603 9.145 13 HA PRO 3 HA PRO 3 12.734 -18.236 10.459 14 HB2 PRO 3 HB2 PRO 3 13.662 -19.277 8.104 15 HB3 PRO 3 HB3 PRO 3 12.470 -20.138 9.129 16 HG2 PRO 3 HG2 PRO 3 11.970 -18.372 6.745 17 HG3 PRO 3 HG3 PRO 3 11.395 -20.045 7.047 18 HD2 PRO 3 HD2 PRO 3 9.820 -17.951 7.575 19 HD3 PRO 3 HD3 PRO 3 9.881 -19.340 8.712 20 H GLY 4 H GLY 4 15.002 -17.707 9.851 21 HA2 GLY 4 HA2 GLY 4 15.301 -14.949 9.454 22 HA3 GLY 4 HA3 GLY 4 16.602 -16.139 9.369 23 H LYS 5 H LYS 5 14.909 -13.797 7.734 24 HA LYS 5 HA LYS 5 16.076 -14.650 5.119 25 HB2 LYS 5 HB2 LYS 5 14.054 -13.625 4.024 26 HB3 LYS 5 HB3 LYS 5 13.761 -15.123 4.916 27 HG2 LYS 5 HG2 LYS 5 12.975 -13.750 6.860 28 HG3 LYS 5 HG3 LYS 5 13.093 -12.322 5.835 29 HD2 LYS 5 HD2 LYS 5 11.489 -13.385 4.237 30 HD3 LYS 5 HD3 LYS 5 11.342 -14.756 5.368 31 HE2 LYS 5 HE2 LYS 5 10.701 -13.104 7.144 32 HE3 LYS 5 HE3 LYS 5 10.658 -11.853 5.905 33 HZ1 LYS 5 HZ1 LYS 5 8.892 -13.062 4.796 34 HZ2 LYS 5 HZ2 LYS 5 8.967 -14.280 5.913 35 HZ3 LYS 5 HZ3 LYS 5 8.475 -12.775 6.377 36 HA PRO 6 HA PRO 6 17.359 -10.410 6.569 37 HB2 PRO 6 HB2 PRO 6 20.054 -10.700 6.123 38 HB3 PRO 6 HB3 PRO 6 19.255 -11.265 7.627 39 HG2 PRO 6 HG2 PRO 6 19.927 -12.838 5.147 40 HG3 PRO 6 HG3 PRO 6 20.314 -13.213 6.861 41 HD2 PRO 6 HD2 PRO 6 18.173 -14.318 5.657 42 HD3 PRO 6 HD3 PRO 6 18.061 -13.753 7.358 43 HA PRO 7 HA PRO 7 17.448 -8.965 2.432 44 HB2 PRO 7 HB2 PRO 7 18.722 -6.554 2.571 45 HB3 PRO 7 HB3 PRO 7 17.085 -6.809 3.258 46 HG2 PRO 7 HG2 PRO 7 19.755 -6.898 4.647 47 HG3 PRO 7 HG3 PRO 7 18.282 -5.977 5.095 48 HD2 PRO 7 HD2 PRO 7 18.851 -8.344 6.246 49 HD3 PRO 7 HD3 PRO 7 17.157 -7.911 5.817 50 H ARG 8 H ARG 8 18.772 -8.865 0.578 51 HA ARG 8 HA ARG 8 21.335 -10.167 0.832 52 HB2 ARG 8 HB2 ARG 8 21.545 -9.745 -1.602 53 HB3 ARG 8 HB3 ARG 8 19.995 -10.477 -1.183 54 HG2 ARG 8 HG2 ARG 8 18.858 -8.327 -1.424 55 HG3 ARG 8 HG3 ARG 8 20.399 -7.512 -1.737 56 HD2 ARG 8 HD2 ARG 8 19.961 -9.798 -3.506 57 HD3 ARG 8 HD3 ARG 8 18.690 -8.562 -3.639 58 HE ARG 8 HE ARG 8 21.134 -7.174 -3.619 59 HH11 ARG 8 HH11 ARG 8 19.556 -9.518 -5.754 60 HH12 ARG 8 HH12 ARG 8 20.371 -8.903 -7.167 61 HH21 ARG 8 HH21 ARG 8 22.099 -6.450 -5.430 62 HH22 ARG 8 HH22 ARG 8 21.795 -7.188 -6.989 63 H LEU 9 H LEU 9 23.372 -9.314 0.889 64 HA LEU 9 HA LEU 9 23.561 -6.356 0.957 65 HB2 LEU 9 HB2 LEU 9 25.508 -8.402 2.048 66 HB3 LEU 9 HB3 LEU 9 25.647 -6.652 2.218 67 HG LEU 9 HG LEU 9 23.493 -8.385 3.489 68 HD11 LEU 9 HD11 LEU 9 25.924 -7.006 4.698 69 HD12 LEU 9 HD12 LEU 9 24.680 -7.916 5.590 70 HD13 LEU 9 HD13 LEU 9 25.735 -8.757 4.437 71 HD21 LEU 9 HD21 LEU 9 22.976 -6.334 4.815 72 HD22 LEU 9 HD22 LEU 9 24.098 -5.410 3.788 73 HD23 LEU 9 HD23 LEU 9 22.628 -6.135 3.089 74 H VAL 10 H VAL 10 23.038 -6.753 -1.192 75 HA VAL 10 HA VAL 10 25.623 -6.269 -2.471 76 HB VAL 10 HB VAL 10 23.719 -7.953 -4.049 77 HG11 VAL 10 HG11 VAL 10 26.613 -7.680 -3.603 78 HG12 VAL 10 HG12 VAL 10 25.862 -8.680 -4.889 79 HG13 VAL 10 HG13 VAL 10 25.647 -6.909 -4.887 80 HG21 VAL 10 HG21 VAL 10 24.732 -10.091 -3.274 81 HG22 VAL 10 HG22 VAL 10 25.558 -9.230 -1.958 82 HG23 VAL 10 HG23 VAL 10 23.779 -9.327 -1.993 83 H GLY 11 H GLY 11 25.362 -4.387 -3.583 84 HA2 GLY 11 HA2 GLY 11 24.327 -2.781 -4.902 85 HA3 GLY 11 HA3 GLY 11 22.982 -3.910 -5.172 86 H GLY 12 H GLY 12 21.374 -2.316 -4.823 87 HA2 GLY 12 HA2 GLY 12 21.147 -1.466 -1.971 88 HA3 GLY 12 HA3 GLY 12 20.821 -0.359 -3.301 89 HA PRO 13 HA PRO 13 16.705 -1.641 -3.068 90 HB2 PRO 13 HB2 PRO 13 15.665 -1.672 -5.573 91 HB3 PRO 13 HB3 PRO 13 16.227 -0.158 -4.789 92 HG2 PRO 13 HG2 PRO 13 17.698 -1.943 -6.719 93 HG3 PRO 13 HG3 PRO 13 17.449 -0.168 -6.793 94 HD2 PRO 13 HD2 PRO 13 19.727 -1.258 -5.804 95 HD3 PRO 13 HD3 PRO 13 19.016 0.238 -5.102 96 H MET 14 H MET 14 15.366 -3.326 -2.842 97 HA MET 14 HA MET 14 15.544 -5.633 -4.665 98 HB2 MET 14 HB2 MET 14 15.803 -7.275 -2.932 99 HB3 MET 14 HB3 MET 14 17.158 -6.152 -2.792 100 HG2 MET 14 HG2 MET 14 16.055 -5.024 -0.901 101 HG3 MET 14 HG3 MET 14 14.651 -6.100 -1.057 102 HE1 MET 14 HE1 MET 14 15.700 -9.057 -1.449 103 HE2 MET 14 HE2 MET 14 15.846 -9.527 0.261 104 HE3 MET 14 HE3 MET 14 14.483 -8.514 -0.272 105 H ASP 15 H ASP 15 13.540 -6.749 -4.720 106 HA ASP 15 HA ASP 15 11.310 -5.281 -3.467 107 HB2 ASP 15 HB2 ASP 15 11.499 -7.481 -5.543 108 HB3 ASP 15 HB3 ASP 15 9.969 -7.087 -4.745 109 H ALA 16 H ALA 16 9.869 -6.278 -2.007 110 HA ALA 16 HA ALA 16 10.640 -8.973 -0.921 111 HB1 ALA 16 HB1 ALA 16 9.886 -8.122 1.311 112 HB2 ALA 16 HB2 ALA 16 11.399 -7.390 0.725 113 HB3 ALA 16 HB3 ALA 16 9.868 -6.490 0.620 114 H SER 17 H SER 17 8.745 -10.034 0.040 115 HA SER 17 HA SER 17 6.462 -9.669 -1.775 116 HB2 SER 17 HB2 SER 17 5.603 -11.691 -0.837 117 HB3 SER 17 HB3 SER 17 7.358 -11.926 -0.978 118 HG SER 17 HG SER 17 7.577 -11.661 1.191 119 H VAL 18 H VAL 18 4.207 -9.544 -0.915 120 HA VAL 18 HA VAL 18 3.972 -7.315 0.874 121 HB VAL 18 HB VAL 18 1.559 -7.590 0.629 122 HG11 VAL 18 HG11 VAL 18 2.914 -6.708 -1.293 123 HG12 VAL 18 HG12 VAL 18 2.903 -8.345 -1.995 124 HG13 VAL 18 HG13 VAL 18 1.378 -7.457 -1.781 125 HG21 VAL 18 HG21 VAL 18 0.588 -9.539 -0.604 126 HG22 VAL 18 HG22 VAL 18 2.183 -10.322 -0.621 127 HG23 VAL 18 HG23 VAL 18 1.343 -10.032 0.921 128 H GLU 19 H GLU 19 4.322 -10.651 1.381 129 HA GLU 19 HA GLU 19 2.928 -10.777 3.931 130 HB2 GLU 19 HB2 GLU 19 4.708 -12.583 2.312 131 HB3 GLU 19 HB3 GLU 19 4.200 -13.014 3.959 132 HG2 GLU 19 HG2 GLU 19 1.840 -12.802 3.261 133 HG3 GLU 19 HG3 GLU 19 2.374 -12.410 1.615 134 H GLU 20 H GLU 20 6.212 -10.022 2.787 135 HA GLU 20 HA GLU 20 7.477 -10.442 5.204 136 HB2 GLU 20 HB2 GLU 20 8.172 -8.681 2.971 137 HB3 GLU 20 HB3 GLU 20 8.874 -8.266 4.542 138 HG2 GLU 20 HG2 GLU 20 10.338 -9.687 3.608 139 HG3 GLU 20 HG3 GLU 20 9.384 -10.559 4.848 140 H GLU 21 H GLU 21 8.103 -9.747 6.895 141 HA GLU 21 HA GLU 21 6.409 -8.049 8.149 142 HB2 GLU 21 HB2 GLU 21 9.190 -8.901 8.899 143 HB3 GLU 21 HB3 GLU 21 8.184 -7.919 9.966 144 HG2 GLU 21 HG2 GLU 21 7.654 -9.951 10.831 145 HG3 GLU 21 HG3 GLU 21 6.419 -9.884 9.569 146 H GLY 22 H GLY 22 9.359 -7.445 6.464 147 HA2 GLY 22 HA2 GLY 22 9.661 -4.698 7.272 148 HA3 GLY 22 HA3 GLY 22 10.429 -5.479 5.879 149 H VAL 23 H VAL 23 7.628 -6.303 4.858 150 HA VAL 23 HA VAL 23 7.082 -3.716 3.537 151 HB VAL 23 HB VAL 23 5.976 -6.511 3.062 152 HG11 VAL 23 HG11 VAL 23 5.095 -5.476 0.925 153 HG12 VAL 23 HG12 VAL 23 4.253 -5.018 2.404 154 HG13 VAL 23 HG13 VAL 23 5.401 -3.881 1.656 155 HG21 VAL 23 HG21 VAL 23 8.301 -6.237 2.386 156 HG22 VAL 23 HG22 VAL 23 7.268 -6.309 0.950 157 HG23 VAL 23 HG23 VAL 23 7.887 -4.743 1.502 158 H ARG 24 H ARG 24 5.298 -6.164 5.553 159 HA ARG 24 HA ARG 24 2.836 -4.843 5.509 160 HB2 ARG 24 HB2 ARG 24 4.132 -6.481 7.687 161 HB3 ARG 24 HB3 ARG 24 2.437 -5.970 7.674 162 HG2 ARG 24 HG2 ARG 24 2.432 -7.042 5.267 163 HG3 ARG 24 HG3 ARG 24 3.858 -7.915 5.858 164 HD2 ARG 24 HD2 ARG 24 1.893 -9.222 6.186 165 HD3 ARG 24 HD3 ARG 24 2.558 -8.711 7.752 166 HE ARG 24 HE ARG 24 0.733 -6.733 7.182 167 HH11 ARG 24 HH11 ARG 24 0.392 -10.245 7.334 168 HH12 ARG 24 HH12 ARG 24 -1.277 -10.146 7.833 169 HH21 ARG 24 HH21 ARG 24 -1.364 -6.673 7.819 170 HH22 ARG 24 HH22 ARG 24 -2.262 -8.147 8.085 171 H ARG 25 H ARG 25 5.603 -4.131 7.659 172 HA ARG 25 HA ARG 25 4.098 -2.314 9.262 173 HB2 ARG 25 HB2 ARG 25 6.115 -1.442 10.059 174 HB3 ARG 25 HB3 ARG 25 6.308 -3.173 9.860 175 HG2 ARG 25 HG2 ARG 25 8.326 -2.485 9.063 176 HG3 ARG 25 HG3 ARG 25 7.403 -2.541 7.563 177 HD2 ARG 25 HD2 ARG 25 8.940 -0.385 8.501 178 HD3 ARG 25 HD3 ARG 25 7.804 -0.372 7.159 179 HE ARG 25 HE ARG 25 6.229 0.786 8.428 180 HH11 ARG 25 HH11 ARG 25 9.022 0.058 10.473 181 HH12 ARG 25 HH12 ARG 25 8.532 1.206 11.688 182 HH21 ARG 25 HH21 ARG 25 5.692 2.223 9.997 183 HH22 ARG 25 HH22 ARG 25 6.682 2.412 11.420 184 H ALA 26 H ALA 26 5.415 -1.947 6.082 185 HA ALA 26 HA ALA 26 5.150 0.950 6.110 186 HB1 ALA 26 HB1 ALA 26 5.822 -0.977 3.854 187 HB2 ALA 26 HB2 ALA 26 5.909 0.794 3.789 188 HB3 ALA 26 HB3 ALA 26 7.006 -0.107 4.861 189 H LEU 27 H LEU 27 3.523 -1.992 4.880 190 HA LEU 27 HA LEU 27 1.620 -0.753 3.211 191 HB2 LEU 27 HB2 LEU 27 1.139 -3.092 5.127 192 HB3 LEU 27 HB3 LEU 27 0.108 -2.629 3.794 193 HG LEU 27 HG LEU 27 2.803 -3.953 3.669 194 HD11 LEU 27 HD11 LEU 27 0.810 -5.364 4.172 195 HD12 LEU 27 HD12 LEU 27 0.062 -4.799 2.662 196 HD13 LEU 27 HD13 LEU 27 1.561 -5.761 2.614 197 HD21 LEU 27 HD21 LEU 27 2.412 -3.941 1.233 198 HD22 LEU 27 HD22 LEU 27 1.136 -2.731 1.516 199 HD23 LEU 27 HD23 LEU 27 2.826 -2.383 1.981 200 H ASP 28 H ASP 28 1.253 -1.747 6.632 201 HA ASP 28 HA ASP 28 -1.364 -0.546 6.778 202 HB2 ASP 28 HB2 ASP 28 0.584 -1.527 8.929 203 HB3 ASP 28 HB3 ASP 28 -1.115 -1.112 9.219 204 H PHE 29 H PHE 29 1.923 0.546 7.562 205 HA PHE 29 HA PHE 29 1.101 2.856 9.081 206 HB2 PHE 29 HB2 PHE 29 3.362 1.927 9.134 207 HB3 PHE 29 HB3 PHE 29 3.578 2.292 7.416 208 HD1 PHE 29 HD1 PHE 29 3.158 3.797 10.802 209 HD2 PHE 29 HD2 PHE 29 4.234 4.473 6.694 210 HE1 PHE 29 HE1 PHE 29 4.092 6.026 11.416 211 HE2 PHE 29 HE2 PHE 29 5.180 6.687 7.296 212 HZ PHE 29 HZ PHE 29 5.113 7.472 9.658 213 H ALA 30 H ALA 30 1.934 2.307 5.592 214 HA ALA 30 HA ALA 30 1.567 5.046 4.850 215 HB1 ALA 30 HB1 ALA 30 2.570 3.346 3.384 216 HB2 ALA 30 HB2 ALA 30 0.968 2.566 3.196 217 HB3 ALA 30 HB3 ALA 30 1.246 4.211 2.571 218 H VAL 31 H VAL 31 -0.961 2.478 4.969 219 HA VAL 31 HA VAL 31 -3.011 4.059 3.639 220 HB VAL 31 HB VAL 31 -3.877 2.159 5.742 221 HG11 VAL 31 HG11 VAL 31 -5.444 2.891 4.232 222 HG12 VAL 31 HG12 VAL 31 -4.471 2.296 2.862 223 HG13 VAL 31 HG13 VAL 31 -5.185 1.145 4.026 224 HG21 VAL 31 HG21 VAL 31 -3.165 0.187 4.704 225 HG22 VAL 31 HG22 VAL 31 -2.077 1.186 3.694 226 HG23 VAL 31 HG23 VAL 31 -1.946 1.231 5.488 227 H GLY 32 H GLY 32 -1.904 3.237 6.903 228 HA2 GLY 32 HA2 GLY 32 -4.105 4.305 8.323 229 HA3 GLY 32 HA3 GLY 32 -2.475 4.051 8.971 230 H GLU 33 H GLU 33 -1.146 5.623 6.992 231 HA GLU 33 HA GLU 33 -1.647 8.232 8.385 232 HB2 GLU 33 HB2 GLU 33 0.608 7.250 8.161 233 HB3 GLU 33 HB3 GLU 33 0.515 7.459 6.409 234 HG2 GLU 33 HG2 GLU 33 0.398 9.885 6.691 235 HG3 GLU 33 HG3 GLU 33 0.397 9.693 8.455 236 H TYR 34 H TYR 34 -2.116 6.779 5.287 237 HA TYR 34 HA TYR 34 -2.509 9.385 4.157 238 HB2 TYR 34 HB2 TYR 34 -1.320 7.807 2.762 239 HB3 TYR 34 HB3 TYR 34 -2.756 6.765 2.702 240 HD1 TYR 34 HD1 TYR 34 -1.796 10.379 2.132 241 HD2 TYR 34 HD2 TYR 34 -4.213 7.056 0.864 242 HE1 TYR 34 HE1 TYR 34 -2.746 11.769 0.298 243 HE2 TYR 34 HE2 TYR 34 -5.174 8.465 -0.966 244 HH TYR 34 HH TYR 34 -4.216 11.874 -1.436 245 H ASN 35 H ASN 35 -4.376 6.472 4.273 246 HA ASN 35 HA ASN 35 -6.795 7.806 3.319 247 HB2 ASN 35 HB2 ASN 35 -6.006 4.960 4.088 248 HB3 ASN 35 HB3 ASN 35 -7.661 5.392 3.600 249 HD21 ASN 35 HD21 ASN 35 -7.285 7.116 1.533 250 HD22 ASN 35 HD22 ASN 35 -6.443 6.303 0.236 251 H LYS 36 H LYS 36 -5.828 5.946 6.212 252 HA LYS 36 HA LYS 36 -8.361 6.409 7.561 253 HB2 LYS 36 HB2 LYS 36 -7.046 4.473 8.118 254 HB3 LYS 36 HB3 LYS 36 -5.626 5.471 8.392 255 HG2 LYS 36 HG2 LYS 36 -7.906 6.057 10.178 256 HG3 LYS 36 HG3 LYS 36 -7.138 4.472 10.390 257 HD2 LYS 36 HD2 LYS 36 -5.057 5.378 10.936 258 HD3 LYS 36 HD3 LYS 36 -5.376 6.899 10.104 259 HE2 LYS 36 HE2 LYS 36 -6.963 6.138 12.564 260 HE3 LYS 36 HE3 LYS 36 -5.365 6.905 12.699 261 HZ1 LYS 36 HZ1 LYS 36 -7.571 8.075 11.088 262 HZ2 LYS 36 HZ2 LYS 36 -7.287 8.488 12.665 263 HZ3 LYS 36 HZ3 LYS 36 -6.151 8.792 11.510 264 H ALA 37 H ALA 37 -5.261 8.081 7.364 265 HA ALA 37 HA ALA 37 -5.711 9.727 9.676 266 HB1 ALA 37 HB1 ALA 37 -3.523 9.224 8.487 267 HB2 ALA 37 HB2 ALA 37 -4.048 10.483 7.337 268 HB3 ALA 37 HB3 ALA 37 -3.826 10.893 9.050 269 H SER 38 H SER 38 -6.489 9.815 6.237 270 HA SER 38 HA SER 38 -7.545 12.551 6.293 271 HB2 SER 38 HB2 SER 38 -6.588 11.534 4.245 272 HB3 SER 38 HB3 SER 38 -7.895 10.332 4.243 273 HG SER 38 HG SER 38 -8.276 12.166 2.871 274 H ASN 39 H ASN 39 -9.767 13.108 5.945 275 HA ASN 39 HA ASN 39 -11.649 11.206 7.261 276 HB2 ASN 39 HB2 ASN 39 -11.265 13.572 8.123 277 HB3 ASN 39 HB3 ASN 39 -12.070 14.133 6.651 278 HD21 ASN 39 HD21 ASN 39 -14.082 14.731 7.118 279 HD22 ASN 39 HD22 ASN 39 -15.174 13.877 8.179 280 H ASP 40 H ASP 40 -11.112 10.396 4.774 281 HA ASP 40 HA ASP 40 -12.743 11.599 2.725 282 HB2 ASP 40 HB2 ASP 40 -10.770 10.005 2.408 283 HB3 ASP 40 HB3 ASP 40 -11.877 8.691 2.831 284 H MET 41 H MET 41 -14.860 11.484 2.396 285 HA MET 41 HA MET 41 -16.603 10.267 4.324 286 HB2 MET 41 HB2 MET 41 -17.197 11.342 1.539 287 HB3 MET 41 HB3 MET 41 -18.408 10.963 2.767 288 HG2 MET 41 HG2 MET 41 -16.236 13.079 3.008 289 HG3 MET 41 HG3 MET 41 -17.936 13.385 2.629 290 HE1 MET 41 HE1 MET 41 -19.680 11.634 4.586 291 HE2 MET 41 HE2 MET 41 -19.789 12.726 5.985 292 HE3 MET 41 HE3 MET 41 -19.890 13.384 4.335 293 H TYR 42 H TYR 42 -15.493 9.332 1.081 294 HA TYR 42 HA TYR 42 -17.042 6.776 1.307 295 HB2 TYR 42 HB2 TYR 42 -15.517 8.061 -0.978 296 HB3 TYR 42 HB3 TYR 42 -16.187 6.422 -1.028 297 HD1 TYR 42 HD1 TYR 42 -16.938 10.012 -1.252 298 HD2 TYR 42 HD2 TYR 42 -18.674 6.083 -0.959 299 HE1 TYR 42 HE1 TYR 42 -19.144 10.927 -1.979 300 HE2 TYR 42 HE2 TYR 42 -20.879 7.009 -1.678 301 HH TYR 42 HH TYR 42 -21.334 10.470 -2.431 302 H HIS 43 H HIS 43 -15.725 4.796 1.219 303 HA HIS 43 HA HIS 43 -13.270 5.430 2.720 304 HB2 HIS 43 HB2 HIS 43 -14.841 2.918 2.254 305 HB3 HIS 43 HB3 HIS 43 -13.287 2.930 3.100 306 HD1 HIS 43 HD1 HIS 43 -15.419 5.901 3.771 307 HD2 HIS 43 HD2 HIS 43 -14.760 2.143 5.423 308 HE1 HIS 43 HE1 HIS 43 -16.429 5.953 6.067 309 H SER 44 H SER 44 -11.503 5.788 1.722 310 HA SER 44 HA SER 44 -10.703 4.222 -0.656 311 HB2 SER 44 HB2 SER 44 -9.415 6.558 0.837 312 HB3 SER 44 HB3 SER 44 -8.726 5.760 -0.590 313 HG SER 44 HG SER 44 -10.837 7.566 -0.384 314 H ARG 45 H ARG 45 -8.871 2.919 -0.507 315 HA ARG 45 HA ARG 45 -7.429 2.595 2.024 316 HB2 ARG 45 HB2 ARG 45 -8.076 0.272 2.394 317 HB3 ARG 45 HB3 ARG 45 -9.535 1.267 2.401 318 HG2 ARG 45 HG2 ARG 45 -9.879 0.580 -0.046 319 HG3 ARG 45 HG3 ARG 45 -8.552 -0.570 0.185 320 HD2 ARG 45 HD2 ARG 45 -10.480 -1.843 0.555 321 HD3 ARG 45 HD3 ARG 45 -9.892 -1.469 2.184 322 HE ARG 45 HE ARG 45 -11.757 0.535 1.368 323 HH11 ARG 45 HH11 ARG 45 -11.740 -2.868 2.315 324 HH12 ARG 45 HH12 ARG 45 -13.385 -2.816 2.891 325 HH21 ARG 45 HH21 ARG 45 -13.869 0.519 2.102 326 HH22 ARG 45 HH22 ARG 45 -14.552 -0.927 2.793 327 H ALA 46 H ALA 46 -5.671 0.927 1.680 328 HA ALA 46 HA ALA 46 -4.735 0.908 -1.088 329 HB1 ALA 46 HB1 ALA 46 -2.998 0.897 0.678 330 HB2 ALA 46 HB2 ALA 46 -3.751 -0.506 1.472 331 HB3 ALA 46 HB3 ALA 46 -2.964 -0.697 -0.132 332 H LEU 47 H LEU 47 -6.163 -0.212 -2.399 333 HA LEU 47 HA LEU 47 -7.593 -2.549 -1.390 334 HB2 LEU 47 HB2 LEU 47 -7.283 -1.121 -4.025 335 HB3 LEU 47 HB3 LEU 47 -7.885 -2.766 -4.033 336 HG LEU 47 HG LEU 47 -9.225 -0.438 -2.632 337 HD11 LEU 47 HD11 LEU 47 -9.680 -2.000 -5.205 338 HD12 LEU 47 HD12 LEU 47 -10.836 -0.820 -4.523 339 HD13 LEU 47 HD13 LEU 47 -9.221 -0.292 -5.048 340 HD21 LEU 47 HD21 LEU 47 -9.755 -2.487 -1.454 341 HD22 LEU 47 HD22 LEU 47 -11.127 -2.139 -2.526 342 HD23 LEU 47 HD23 LEU 47 -9.931 -3.385 -2.970 343 H GLN 48 H GLN 48 -4.878 -1.936 -3.550 344 HA GLN 48 HA GLN 48 -4.106 -4.777 -3.391 345 HB2 GLN 48 HB2 GLN 48 -5.858 -4.505 -5.174 346 HB3 GLN 48 HB3 GLN 48 -4.847 -3.302 -5.960 347 HG2 GLN 48 HG2 GLN 48 -3.142 -4.943 -6.470 348 HG3 GLN 48 HG3 GLN 48 -3.992 -6.172 -5.516 349 HE21 GLN 48 HE21 GLN 48 -4.277 -4.087 -8.400 350 HE22 GLN 48 HE22 GLN 48 -5.366 -5.158 -9.239 351 H VAL 49 H VAL 49 -1.890 -4.794 -3.176 352 HA VAL 49 HA VAL 49 -0.476 -2.310 -3.722 353 HB VAL 49 HB VAL 49 0.258 -4.850 -2.313 354 HG11 VAL 49 HG11 VAL 49 2.358 -3.006 -3.546 355 HG12 VAL 49 HG12 VAL 49 2.668 -4.267 -2.338 356 HG13 VAL 49 HG13 VAL 49 2.106 -4.725 -3.953 357 HG21 VAL 49 HG21 VAL 49 -0.442 -2.726 -1.134 358 HG22 VAL 49 HG22 VAL 49 1.206 -3.214 -0.713 359 HG23 VAL 49 HG23 VAL 49 0.949 -1.849 -1.853 360 H VAL 50 H VAL 50 0.689 -1.817 -5.445 361 HA VAL 50 HA VAL 50 0.641 -3.700 -7.723 362 HB VAL 50 HB VAL 50 1.661 -0.814 -7.591 363 HG11 VAL 50 HG11 VAL 50 0.826 -2.535 -9.974 364 HG12 VAL 50 HG12 VAL 50 1.380 -0.845 -10.045 365 HG13 VAL 50 HG13 VAL 50 2.499 -2.126 -9.537 366 HG21 VAL 50 HG21 VAL 50 -1.083 -1.876 -8.370 367 HG22 VAL 50 HG22 VAL 50 -0.696 -0.820 -6.992 368 HG23 VAL 50 HG23 VAL 50 -0.520 -0.211 -8.645 369 H ARG 51 H ARG 51 2.934 -1.894 -5.638 370 HA ARG 51 HA ARG 51 5.099 -3.798 -6.445 371 HB2 ARG 51 HB2 ARG 51 5.509 -0.788 -6.266 372 HB3 ARG 51 HB3 ARG 51 6.713 -1.987 -6.707 373 HG2 ARG 51 HG2 ARG 51 4.278 -1.272 -8.371 374 HG3 ARG 51 HG3 ARG 51 5.906 -0.635 -8.621 375 HD2 ARG 51 HD2 ARG 51 6.751 -2.882 -9.081 376 HD3 ARG 51 HD3 ARG 51 5.153 -3.562 -8.746 377 HE ARG 51 HE ARG 51 5.343 -1.535 -10.880 378 HH11 ARG 51 HH11 ARG 51 4.928 -4.942 -10.042 379 HH12 ARG 51 HH12 ARG 51 4.390 -5.367 -11.646 380 HH21 ARG 51 HH21 ARG 51 4.625 -2.149 -12.896 381 HH22 ARG 51 HH22 ARG 51 4.207 -3.809 -13.223 382 H ALA 52 H ALA 52 6.474 -4.303 -4.736 383 HA ALA 52 HA ALA 52 6.384 -2.567 -2.327 384 HB1 ALA 52 HB1 ALA 52 5.918 -5.590 -2.370 385 HB2 ALA 52 HB2 ALA 52 6.246 -4.640 -0.907 386 HB3 ALA 52 HB3 ALA 52 4.766 -4.340 -1.838 387 H ARG 53 H ARG 53 8.425 -1.899 -2.151 388 HA ARG 53 HA ARG 53 10.537 -3.957 -2.075 389 HB2 ARG 53 HB2 ARG 53 11.932 -2.833 -3.734 390 HB3 ARG 53 HB3 ARG 53 10.473 -3.504 -4.428 391 HG2 ARG 53 HG2 ARG 53 10.436 -0.704 -3.605 392 HG3 ARG 53 HG3 ARG 53 11.430 -1.121 -4.997 393 HD2 ARG 53 HD2 ARG 53 8.476 -1.690 -4.676 394 HD3 ARG 53 HD3 ARG 53 9.179 -0.416 -5.680 395 HE ARG 53 HE ARG 53 9.461 -3.379 -6.128 396 HH11 ARG 53 HH11 ARG 53 9.579 -0.102 -7.488 397 HH12 ARG 53 HH12 ARG 53 9.879 -0.705 -9.095 398 HH21 ARG 53 HH21 ARG 53 9.849 -4.043 -8.118 399 HH22 ARG 53 HH22 ARG 53 9.998 -2.924 -9.461 400 H LYS 54 H LYS 54 12.682 -3.010 -1.669 401 HA LYS 54 HA LYS 54 12.572 -0.375 -0.372 402 HB2 LYS 54 HB2 LYS 54 13.658 -1.300 1.713 403 HB3 LYS 54 HB3 LYS 54 11.950 -1.634 1.532 404 HG2 LYS 54 HG2 LYS 54 14.060 -3.696 0.717 405 HG3 LYS 54 HG3 LYS 54 13.560 -3.524 2.395 406 HD2 LYS 54 HD2 LYS 54 11.855 -4.478 0.048 407 HD3 LYS 54 HD3 LYS 54 12.315 -5.376 1.487 408 HE2 LYS 54 HE2 LYS 54 10.393 -3.015 1.358 409 HE3 LYS 54 HE3 LYS 54 9.988 -4.715 1.625 410 HZ1 LYS 54 HZ1 LYS 54 10.020 -3.519 3.694 411 HZ2 LYS 54 HZ2 LYS 54 11.249 -4.624 3.686 412 HZ3 LYS 54 HZ3 LYS 54 11.576 -3.025 3.449 413 H GLN 55 H GLN 55 14.553 0.564 0.030 414 HA GLN 55 HA GLN 55 16.813 -0.578 -1.538 415 HB2 GLN 55 HB2 GLN 55 16.061 1.721 -2.049 416 HB3 GLN 55 HB3 GLN 55 16.271 2.161 -0.354 417 HG2 GLN 55 HG2 GLN 55 18.698 1.731 -0.547 418 HG3 GLN 55 HG3 GLN 55 18.477 1.367 -2.269 419 HE21 GLN 55 HE21 GLN 55 19.134 3.759 0.003 420 HE22 GLN 55 HE22 GLN 55 18.861 5.152 -1.020 421 H ILE 56 H ILE 56 18.530 -1.413 -0.522 422 HA ILE 56 HA ILE 56 18.673 -1.142 2.446 423 HB ILE 56 HB ILE 56 20.156 -3.040 0.549 424 HG12 ILE 56 HG12 ILE 56 17.785 -3.513 0.361 425 HG13 ILE 56 HG13 ILE 56 18.583 -4.791 1.260 426 HG21 ILE 56 HG21 ILE 56 21.347 -2.795 2.662 427 HG22 ILE 56 HG22 ILE 56 19.853 -3.039 3.597 428 HG23 ILE 56 HG23 ILE 56 20.550 -4.378 2.653 429 HD11 ILE 56 HD11 ILE 56 17.678 -3.831 3.409 430 HD12 ILE 56 HD12 ILE 56 16.830 -2.581 2.464 431 HD13 ILE 56 HD13 ILE 56 16.399 -4.291 2.268 432 H GLY 57 H GLY 57 20.480 -0.101 3.362 433 HA2 GLY 57 HA2 GLY 57 22.994 0.251 2.346 434 HA3 GLY 57 HA3 GLY 57 22.060 1.531 1.542 435 H ALA 58 H ALA 58 23.599 2.924 2.796 436 HA ALA 58 HA ALA 58 23.417 3.116 5.656 437 HB1 ALA 58 HB1 ALA 58 25.296 4.076 4.352 438 HB2 ALA 58 HB2 ALA 58 24.177 5.232 3.583 439 HB3 ALA 58 HB3 ALA 58 24.490 5.324 5.331 440 H GLY 59 H GLY 59 21.381 4.121 3.047 441 HA2 GLY 59 HA2 GLY 59 19.523 5.407 5.001 442 HA3 GLY 59 HA3 GLY 59 19.732 6.006 3.327 443 H VAL 60 H VAL 60 17.428 4.501 4.861 444 HA VAL 60 HA VAL 60 17.218 2.234 2.915 445 HB VAL 60 HB VAL 60 16.126 2.452 5.758 446 HG11 VAL 60 HG11 VAL 60 15.288 0.161 5.467 447 HG12 VAL 60 HG12 VAL 60 14.551 1.230 4.261 448 HG13 VAL 60 HG13 VAL 60 15.870 0.135 3.789 449 HG21 VAL 60 HG21 VAL 60 18.257 0.633 4.559 450 HG22 VAL 60 HG22 VAL 60 18.537 1.965 5.700 451 HG23 VAL 60 HG23 VAL 60 17.633 0.532 6.223 452 H ASN 61 H ASN 61 15.794 2.665 1.372 453 HA ASN 61 HA ASN 61 13.521 4.494 2.054 454 HB2 ASN 61 HB2 ASN 61 14.814 3.914 -0.641 455 HB3 ASN 61 HB3 ASN 61 13.399 4.937 -0.379 456 HD21 ASN 61 HD21 ASN 61 13.795 7.019 -0.339 457 HD22 ASN 61 HD22 ASN 61 15.294 7.761 0.168 458 H TYR 62 H TYR 62 11.637 3.530 2.300 459 HA TYR 62 HA TYR 62 11.166 0.880 1.033 460 HB2 TYR 62 HB2 TYR 62 9.517 2.615 2.914 461 HB3 TYR 62 HB3 TYR 62 8.982 1.058 2.290 462 HD1 TYR 62 HD1 TYR 62 9.484 -0.931 3.476 463 HD2 TYR 62 HD2 TYR 62 11.716 2.648 4.354 464 HE1 TYR 62 HE1 TYR 62 10.566 -2.054 5.441 465 HE2 TYR 62 HE2 TYR 62 12.783 1.482 6.284 466 HH TYR 62 HH TYR 62 12.017 -1.862 7.182 467 H PHE 63 H PHE 63 9.894 0.672 -0.804 468 HA PHE 63 HA PHE 63 8.380 3.121 -1.674 469 HB2 PHE 63 HB2 PHE 63 9.815 1.076 -3.386 470 HB3 PHE 63 HB3 PHE 63 8.844 2.409 -3.992 471 HD1 PHE 63 HD1 PHE 63 12.105 1.344 -2.784 472 HD2 PHE 63 HD2 PHE 63 9.647 4.775 -3.592 473 HE1 PHE 63 HE1 PHE 63 14.136 2.784 -2.825 474 HE2 PHE 63 HE2 PHE 63 11.664 6.234 -3.608 475 HZ PHE 63 HZ PHE 63 13.923 5.233 -3.241 476 H LEU 64 H LEU 64 6.274 2.731 -1.575 477 HA LEU 64 HA LEU 64 5.314 -0.051 -2.094 478 HB2 LEU 64 HB2 LEU 64 5.484 0.614 0.348 479 HB3 LEU 64 HB3 LEU 64 4.285 1.857 0.042 480 HG LEU 64 HG LEU 64 3.563 -0.339 1.139 481 HD11 LEU 64 HD11 LEU 64 1.998 0.488 -1.331 482 HD12 LEU 64 HD12 LEU 64 1.375 -0.321 0.123 483 HD13 LEU 64 HD13 LEU 64 1.973 1.346 0.226 484 HD21 LEU 64 HD21 LEU 64 4.817 -1.774 -0.515 485 HD22 LEU 64 HD22 LEU 64 3.131 -2.232 -0.285 486 HD23 LEU 64 HD23 LEU 64 3.586 -1.347 -1.729 487 H ASP 65 H ASP 65 4.087 -0.036 -3.817 488 HA ASP 65 HA ASP 65 2.406 2.425 -4.341 489 HB2 ASP 65 HB2 ASP 65 3.418 0.322 -6.339 490 HB3 ASP 65 HB3 ASP 65 2.504 1.784 -6.727 491 H VAL 66 H VAL 66 0.579 2.347 -4.831 492 HA VAL 66 HA VAL 66 -0.946 -0.046 -4.476 493 HB VAL 66 HB VAL 66 -0.238 1.462 -2.253 494 HG11 VAL 66 HG11 VAL 66 -2.434 1.807 -1.302 495 HG12 VAL 66 HG12 VAL 66 -2.283 2.760 -2.776 496 HG13 VAL 66 HG13 VAL 66 -3.219 1.235 -2.808 497 HG21 VAL 66 HG21 VAL 66 -1.201 -0.253 -1.154 498 HG22 VAL 66 HG22 VAL 66 -2.225 -0.698 -2.562 499 HG23 VAL 66 HG23 VAL 66 -0.472 -0.830 -2.626 500 H GLU 67 H GLU 67 -2.767 -0.354 -5.069 501 HA GLU 67 HA GLU 67 -3.801 1.628 -7.003 502 HB2 GLU 67 HB2 GLU 67 -3.414 -0.830 -7.513 503 HB3 GLU 67 HB3 GLU 67 -4.756 -1.195 -6.428 504 HG2 GLU 67 HG2 GLU 67 -6.284 0.080 -7.862 505 HG3 GLU 67 HG3 GLU 67 -4.934 0.525 -8.921 506 H LEU 68 H LEU 68 -5.658 2.651 -6.818 507 HA LEU 68 HA LEU 68 -7.101 2.362 -4.240 508 HB2 LEU 68 HB2 LEU 68 -6.101 4.722 -5.780 509 HB3 LEU 68 HB3 LEU 68 -7.670 4.876 -4.937 510 HG LEU 68 HG LEU 68 -6.501 3.958 -2.848 511 HD11 LEU 68 HD11 LEU 68 -4.094 4.604 -4.529 512 HD12 LEU 68 HD12 LEU 68 -4.061 4.543 -2.749 513 HD13 LEU 68 HD13 LEU 68 -4.489 3.101 -3.680 514 HD21 LEU 68 HD21 LEU 68 -5.807 6.684 -3.968 515 HD22 LEU 68 HD22 LEU 68 -7.240 6.238 -3.021 516 HD23 LEU 68 HD23 LEU 68 -5.634 6.212 -2.265 517 H GLY 69 H GLY 69 -9.120 2.514 -3.994 518 HA2 GLY 69 HA2 GLY 69 -10.928 3.209 -6.190 519 HA3 GLY 69 HA3 GLY 69 -11.032 1.526 -5.559 520 H ARG 70 H ARG 70 -13.162 3.361 -5.099 521 HA ARG 70 HA ARG 70 -12.881 3.745 -2.137 522 HB2 ARG 70 HB2 ARG 70 -13.884 5.600 -4.260 523 HB3 ARG 70 HB3 ARG 70 -14.874 5.460 -2.797 524 HG2 ARG 70 HG2 ARG 70 -13.000 6.064 -1.403 525 HG3 ARG 70 HG3 ARG 70 -11.928 6.135 -2.816 526 HD2 ARG 70 HD2 ARG 70 -14.422 7.783 -2.843 527 HD3 ARG 70 HD3 ARG 70 -13.099 8.304 -1.791 528 HE ARG 70 HE ARG 70 -13.035 8.098 -4.758 529 HH11 ARG 70 HH11 ARG 70 -11.392 9.139 -1.784 530 HH12 ARG 70 HH12 ARG 70 -10.179 10.015 -2.685 531 HH21 ARG 70 HH21 ARG 70 -11.451 9.247 -5.801 532 HH22 ARG 70 HH22 ARG 70 -10.215 10.080 -4.899 533 H THR 71 H THR 71 -14.431 2.712 -1.002 534 HA THR 71 HA THR 71 -16.347 1.155 -2.624 535 HB THR 71 HB THR 71 -16.905 0.051 -0.456 536 HG1 THR 71 HG1 THR 71 -16.510 1.690 1.011 537 HG21 THR 71 HG21 THR 71 -14.810 -1.105 -0.143 538 HG22 THR 71 HG22 THR 71 -14.963 -0.732 -1.868 539 HG23 THR 71 HG23 THR 71 -13.890 0.246 -0.840 540 H THR 72 H THR 72 -18.539 1.404 -2.540 541 HA THR 72 HA THR 72 -19.507 4.063 -1.836 542 HB THR 72 HB THR 72 -21.720 3.086 -2.558 543 HG1 THR 72 HG1 THR 72 -21.471 0.919 -3.511 544 HG21 THR 72 HG21 THR 72 -20.085 4.049 -4.221 545 HG22 THR 72 HG22 THR 72 -19.450 2.404 -4.479 546 HG23 THR 72 HG23 THR 72 -21.136 2.785 -4.895 547 H CYS 73 H CYS 73 -19.148 1.054 -0.263 548 HA CYS 73 HA CYS 73 -21.174 1.700 1.800 549 HB2 CYS 73 HB2 CYS 73 -19.484 -0.784 1.411 550 HB3 CYS 73 HB3 CYS 73 -20.849 -0.596 2.531 551 H THR 74 H THR 74 -20.470 1.383 4.070 552 HA THR 74 HA THR 74 -17.693 2.361 4.443 553 HB THR 74 HB THR 74 -18.395 4.167 5.780 554 HG1 THR 74 HG1 THR 74 -20.585 4.174 6.664 555 HG21 THR 74 HG21 THR 74 -19.317 4.474 3.479 556 HG22 THR 74 HG22 THR 74 -20.879 3.851 4.096 557 HG23 THR 74 HG23 THR 74 -20.173 5.344 4.768 558 H LYS 75 H LYS 75 -17.306 2.588 6.903 559 HA LYS 75 HA LYS 75 -17.245 0.030 8.050 560 HB2 LYS 75 HB2 LYS 75 -16.562 1.292 10.113 561 HB3 LYS 75 HB3 LYS 75 -15.691 1.796 8.656 562 HG2 LYS 75 HG2 LYS 75 -17.143 3.814 8.431 563 HG3 LYS 75 HG3 LYS 75 -18.116 3.275 9.800 564 HD2 LYS 75 HD2 LYS 75 -16.640 4.972 10.631 565 HD3 LYS 75 HD3 LYS 75 -16.113 3.419 11.289 566 HE2 LYS 75 HE2 LYS 75 -14.136 4.607 10.669 567 HE3 LYS 75 HE3 LYS 75 -14.348 3.332 9.461 568 HZ1 LYS 75 HZ1 LYS 75 -15.148 6.163 9.072 569 HZ2 LYS 75 HZ2 LYS 75 -13.756 5.495 8.494 570 HZ3 LYS 75 HZ3 LYS 75 -15.213 4.966 7.934 571 H THR 76 H THR 76 -19.781 2.393 8.307 572 HA THR 76 HA THR 76 -21.084 0.855 10.511 573 HB THR 76 HB THR 76 -22.613 2.868 9.856 574 HG1 THR 76 HG1 THR 76 -21.374 4.659 9.260 575 HG21 THR 76 HG21 THR 76 -20.056 3.191 11.489 576 HG22 THR 76 HG22 THR 76 -21.477 4.256 11.613 577 HG23 THR 76 HG23 THR 76 -21.598 2.557 12.116 578 H GLN 77 H GLN 77 -21.199 1.575 7.305 579 HA GLN 77 HA GLN 77 -24.021 0.970 6.812 580 HB2 GLN 77 HB2 GLN 77 -21.707 1.646 5.019 581 HB3 GLN 77 HB3 GLN 77 -23.236 1.099 4.353 582 HG2 GLN 77 HG2 GLN 77 -22.844 3.540 6.120 583 HG3 GLN 77 HG3 GLN 77 -23.087 3.556 4.367 584 HE21 GLN 77 HE21 GLN 77 -24.619 4.182 7.146 585 HE22 GLN 77 HE22 GLN 77 -26.253 3.759 6.702 586 HA PRO 78 HA PRO 78 -23.546 -3.314 6.499 587 HB2 PRO 78 HB2 PRO 78 -25.529 -4.067 4.801 588 HB3 PRO 78 HB3 PRO 78 -25.886 -3.241 6.352 589 HG2 PRO 78 HG2 PRO 78 -25.636 -2.044 3.594 590 HG3 PRO 78 HG3 PRO 78 -26.981 -1.882 4.770 591 HD2 PRO 78 HD2 PRO 78 -25.010 -0.006 4.554 592 HD3 PRO 78 HD3 PRO 78 -25.755 -0.423 6.141 593 H ASN 79 H ASN 79 -23.457 -5.250 5.015 594 HA ASN 79 HA ASN 79 -22.552 -6.480 3.362 595 HB2 ASN 79 HB2 ASN 79 -23.008 -4.069 1.583 596 HB3 ASN 79 HB3 ASN 79 -22.827 -5.748 1.072 597 HD21 ASN 79 HD21 ASN 79 -25.025 -3.575 1.054 598 HD22 ASN 79 HD22 ASN 79 -26.435 -4.468 1.574 599 H LEU 80 H LEU 80 -20.539 -5.236 4.930 600 HA LEU 80 HA LEU 80 -18.489 -4.045 3.344 601 HB2 LEU 80 HB2 LEU 80 -18.532 -5.495 5.966 602 HB3 LEU 80 HB3 LEU 80 -16.990 -5.266 5.156 603 HG LEU 80 HG LEU 80 -17.597 -2.782 5.016 604 HD11 LEU 80 HD11 LEU 80 -19.933 -2.883 5.658 605 HD12 LEU 80 HD12 LEU 80 -19.534 -3.735 7.170 606 HD13 LEU 80 HD13 LEU 80 -19.049 -2.045 6.939 607 HD21 LEU 80 HD21 LEU 80 -16.681 -2.421 7.287 608 HD22 LEU 80 HD22 LEU 80 -17.016 -4.120 7.693 609 HD23 LEU 80 HD23 LEU 80 -15.828 -3.722 6.428 610 H ASP 81 H ASP 81 -19.615 -7.296 3.335 611 HA ASP 81 HA ASP 81 -17.054 -8.397 2.435 612 HB2 ASP 81 HB2 ASP 81 -19.706 -9.741 1.985 613 HB3 ASP 81 HB3 ASP 81 -18.173 -10.444 2.521 614 H ASN 82 H ASN 82 -20.158 -7.380 1.141 615 HA ASN 82 HA ASN 82 -19.542 -8.409 -1.531 616 HB2 ASN 82 HB2 ASN 82 -21.792 -8.566 -0.362 617 HB3 ASN 82 HB3 ASN 82 -21.970 -6.828 -0.646 618 HD21 ASN 82 HD21 ASN 82 -23.261 -6.445 -2.310 619 HD22 ASN 82 HD22 ASN 82 -23.295 -7.369 -3.790 620 H CYS 83 H CYS 83 -19.841 -5.142 -0.082 621 HA CYS 83 HA CYS 83 -19.910 -3.870 -2.654 622 HB2 CYS 83 HB2 CYS 83 -18.802 -2.646 -0.115 623 HB3 CYS 83 HB3 CYS 83 -19.433 -1.811 -1.538 624 HA PRO 84 HA PRO 84 -15.286 -3.368 -2.514 625 HB2 PRO 84 HB2 PRO 84 -13.681 -4.902 -0.893 626 HB3 PRO 84 HB3 PRO 84 -14.264 -3.265 -0.468 627 HG2 PRO 84 HG2 PRO 84 -15.361 -5.917 0.324 628 HG3 PRO 84 HG3 PRO 84 -15.038 -4.469 1.338 629 HD2 PRO 84 HD2 PRO 84 -17.499 -5.070 0.452 630 HD3 PRO 84 HD3 PRO 84 -16.925 -3.373 0.584 631 H PHE 85 H PHE 85 -16.608 -6.654 -1.884 632 HA PHE 85 HA PHE 85 -14.809 -8.093 -3.559 633 HB2 PHE 85 HB2 PHE 85 -16.488 -9.199 -2.156 634 HB3 PHE 85 HB3 PHE 85 -17.788 -8.492 -3.123 635 HD1 PHE 85 HD1 PHE 85 -14.962 -10.916 -3.186 636 HD2 PHE 85 HD2 PHE 85 -18.491 -9.477 -5.180 637 HE1 PHE 85 HE1 PHE 85 -14.876 -12.866 -4.735 638 HE2 PHE 85 HE2 PHE 85 -18.421 -11.420 -6.730 639 HZ PHE 85 HZ PHE 85 -16.607 -13.121 -6.515 640 H HIS 86 H HIS 86 -17.751 -6.189 -4.342 641 HA HIS 86 HA HIS 86 -17.388 -6.755 -7.214 642 HB2 HIS 86 HB2 HIS 86 -19.303 -5.037 -5.629 643 HB3 HIS 86 HB3 HIS 86 -19.225 -4.984 -7.393 644 HD1 HIS 86 HD1 HIS 86 -20.136 -7.384 -4.590 645 HD2 HIS 86 HD2 HIS 86 -20.383 -7.065 -8.726 646 HE1 HIS 86 HE1 HIS 86 -21.596 -9.288 -5.378 647 H ASP 87 H ASP 87 -16.514 -4.147 -4.982 648 HA ASP 87 HA ASP 87 -16.194 -2.137 -6.997 649 HB2 ASP 87 HB2 ASP 87 -15.026 -2.410 -4.218 650 HB3 ASP 87 HB3 ASP 87 -14.732 -1.013 -5.256 651 H GLN 88 H GLN 88 -13.905 -4.601 -5.728 652 HA GLN 88 HA GLN 88 -11.629 -3.489 -7.054 653 HB2 GLN 88 HB2 GLN 88 -12.297 -6.150 -5.906 654 HB3 GLN 88 HB3 GLN 88 -10.952 -6.072 -7.062 655 HG2 GLN 88 HG2 GLN 88 -9.889 -4.367 -5.799 656 HG3 GLN 88 HG3 GLN 88 -11.249 -4.296 -4.665 657 HE21 GLN 88 HE21 GLN 88 -8.503 -6.211 -5.776 658 HE22 GLN 88 HE22 GLN 88 -8.427 -7.233 -4.363 659 HA PRO 89 HA PRO 89 -12.306 -6.110 -10.815 660 HB2 PRO 89 HB2 PRO 89 -14.896 -6.943 -11.425 661 HB3 PRO 89 HB3 PRO 89 -13.651 -8.002 -10.672 662 HG2 PRO 89 HG2 PRO 89 -15.873 -6.455 -9.396 663 HG3 PRO 89 HG3 PRO 89 -15.347 -8.134 -9.089 664 HD2 PRO 89 HD2 PRO 89 -14.637 -6.131 -7.483 665 HD3 PRO 89 HD3 PRO 89 -13.500 -7.461 -7.870 666 H HIS 90 H HIS 90 -14.847 -4.033 -9.527 667 HA HIS 90 HA HIS 90 -15.679 -2.962 -12.070 668 HB2 HIS 90 HB2 HIS 90 -15.926 -2.152 -9.208 669 HB3 HIS 90 HB3 HIS 90 -16.400 -1.027 -10.485 670 HD1 HIS 90 HD1 HIS 90 -18.609 -1.984 -8.622 671 HD2 HIS 90 HD2 HIS 90 -17.544 -4.006 -12.093 672 HE1 HIS 90 HE1 HIS 90 -20.611 -3.364 -9.303 673 H LEU 91 H LEU 91 -12.799 -2.549 -10.182 674 HA LEU 91 HA LEU 91 -12.175 0.111 -11.212 675 HB2 LEU 91 HB2 LEU 91 -10.354 -2.019 -10.041 676 HB3 LEU 91 HB3 LEU 91 -9.870 -0.397 -10.477 677 HG LEU 91 HG LEU 91 -11.330 -1.334 -8.056 678 HD11 LEU 91 HD11 LEU 91 -9.140 0.678 -8.700 679 HD12 LEU 91 HD12 LEU 91 -9.699 0.247 -7.080 680 HD13 LEU 91 HD13 LEU 91 -8.917 -0.983 -8.089 681 HD21 LEU 91 HD21 LEU 91 -11.534 1.505 -9.173 682 HD22 LEU 91 HD22 LEU 91 -12.892 0.377 -8.907 683 HD23 LEU 91 HD23 LEU 91 -11.981 1.000 -7.527 684 H LYS 92 H LYS 92 -12.935 -0.858 -13.444 685 HA LYS 92 HA LYS 92 -10.868 -2.233 -14.988 686 HB2 LYS 92 HB2 LYS 92 -13.275 -0.520 -15.695 687 HB3 LYS 92 HB3 LYS 92 -12.153 -1.096 -16.937 688 HG2 LYS 92 HG2 LYS 92 -12.881 -3.244 -16.827 689 HG3 LYS 92 HG3 LYS 92 -13.123 -3.199 -15.076 690 HD2 LYS 92 HD2 LYS 92 -15.005 -1.723 -16.933 691 HD3 LYS 92 HD3 LYS 92 -15.195 -3.460 -16.609 692 HE2 LYS 92 HE2 LYS 92 -15.219 -2.967 -14.157 693 HE3 LYS 92 HE3 LYS 92 -15.182 -1.235 -14.531 694 HZ1 LYS 92 HZ1 LYS 92 -17.297 -1.517 -15.693 695 HZ2 LYS 92 HZ2 LYS 92 -17.332 -3.122 -15.308 696 HZ3 LYS 92 HZ3 LYS 92 -17.424 -1.984 -14.117 697 H ARG 93 H ARG 93 -11.696 1.014 -13.997 698 HA ARG 93 HA ARG 93 -9.397 2.253 -15.365 699 HB2 ARG 93 HB2 ARG 93 -11.251 3.712 -15.181 700 HB3 ARG 93 HB3 ARG 93 -11.663 3.145 -13.568 701 HG2 ARG 93 HG2 ARG 93 -10.891 5.445 -13.491 702 HG3 ARG 93 HG3 ARG 93 -9.781 4.410 -12.596 703 HD2 ARG 93 HD2 ARG 93 -8.130 4.527 -14.314 704 HD3 ARG 93 HD3 ARG 93 -9.278 5.265 -15.457 705 HE ARG 93 HE ARG 93 -9.284 7.025 -13.324 706 HH11 ARG 93 HH11 ARG 93 -6.648 5.709 -15.297 707 HH12 ARG 93 HH12 ARG 93 -5.707 7.169 -15.161 708 HH21 ARG 93 HH21 ARG 93 -8.052 8.824 -13.219 709 HH22 ARG 93 HH22 ARG 93 -6.470 8.894 -13.974 710 H LYS 94 H LYS 94 -7.502 1.461 -14.547 711 HA LYS 94 HA LYS 94 -7.212 1.029 -11.643 712 HB2 LYS 94 HB2 LYS 94 -5.436 0.624 -14.048 713 HB3 LYS 94 HB3 LYS 94 -4.692 0.852 -12.464 714 HG2 LYS 94 HG2 LYS 94 -4.850 -1.477 -12.741 715 HG3 LYS 94 HG3 LYS 94 -6.112 -1.021 -11.601 716 HD2 LYS 94 HD2 LYS 94 -7.769 -1.117 -13.480 717 HD3 LYS 94 HD3 LYS 94 -6.470 -1.727 -14.524 718 HE2 LYS 94 HE2 LYS 94 -7.716 -3.626 -13.668 719 HE3 LYS 94 HE3 LYS 94 -6.124 -3.611 -12.880 720 HZ1 LYS 94 HZ1 LYS 94 -7.162 -2.609 -10.923 721 HZ2 LYS 94 HZ2 LYS 94 -8.635 -2.568 -11.676 722 HZ3 LYS 94 HZ3 LYS 94 -7.939 -4.016 -11.300 723 H ALA 95 H ALA 95 -6.298 2.408 -10.257 724 HA ALA 95 HA ALA 95 -4.896 4.805 -11.280 725 HB1 ALA 95 HB1 ALA 95 -6.282 6.316 -10.026 726 HB2 ALA 95 HB2 ALA 95 -7.415 5.296 -10.925 727 HB3 ALA 95 HB3 ALA 95 -7.122 4.982 -9.194 728 H PHE 96 H PHE 96 -3.053 4.946 -10.068 729 HA PHE 96 HA PHE 96 -3.032 3.617 -7.450 730 HB2 PHE 96 HB2 PHE 96 -0.985 2.559 -7.822 731 HB3 PHE 96 HB3 PHE 96 -1.951 2.255 -9.267 732 HD1 PHE 96 HD1 PHE 96 -1.429 3.539 -11.390 733 HD2 PHE 96 HD2 PHE 96 1.078 3.739 -7.897 734 HE1 PHE 96 HE1 PHE 96 0.422 4.466 -12.777 735 HE2 PHE 96 HE2 PHE 96 2.936 4.654 -9.271 736 HZ PHE 96 HZ PHE 96 2.611 5.030 -11.718 737 H CYS 97 H CYS 97 -1.976 4.381 -5.811 738 HA CYS 97 HA CYS 97 -0.707 7.065 -5.945 739 HB2 CYS 97 HB2 CYS 97 -1.636 5.225 -3.695 740 HB3 CYS 97 HB3 CYS 97 -0.808 6.775 -3.428 741 H SER 98 H SER 98 1.335 7.313 -4.755 742 HA SER 98 HA SER 98 2.884 4.770 -4.433 743 HB2 SER 98 HB2 SER 98 3.562 5.874 -6.563 744 HB3 SER 98 HB3 SER 98 3.943 7.349 -5.654 745 HG SER 98 HG SER 98 5.137 4.773 -5.377 746 H PHE 99 H PHE 99 3.647 4.584 -2.461 747 HA PHE 99 HA PHE 99 3.942 7.074 -0.820 748 HB2 PHE 99 HB2 PHE 99 3.261 4.256 0.092 749 HB3 PHE 99 HB3 PHE 99 3.395 5.689 1.120 750 HD1 PHE 99 HD1 PHE 99 1.800 7.696 0.488 751 HD2 PHE 99 HD2 PHE 99 1.166 3.621 -0.734 752 HE1 PHE 99 HE1 PHE 99 -0.603 8.201 0.082 753 HE2 PHE 99 HE2 PHE 99 -1.248 4.110 -1.114 754 HZ PHE 99 HZ PHE 99 -2.134 6.406 -0.721 755 H GLN 100 H GLN 100 5.933 7.459 -0.102 756 HA GLN 100 HA GLN 100 7.905 5.226 -0.246 757 HB2 GLN 100 HB2 GLN 100 8.513 8.050 -1.125 758 HB3 GLN 100 HB3 GLN 100 9.496 6.602 -1.357 759 HG2 GLN 100 HG2 GLN 100 7.666 5.686 -2.851 760 HG3 GLN 100 HG3 GLN 100 6.821 7.231 -2.702 761 HE21 GLN 100 HE21 GLN 100 7.532 6.170 -5.139 762 HE22 GLN 100 HE22 GLN 100 8.781 7.171 -5.848 763 H ILE 101 H ILE 101 8.764 4.901 1.664 764 HA ILE 101 HA ILE 101 8.734 7.165 3.629 765 HB ILE 101 HB ILE 101 8.935 4.159 4.163 766 HG12 ILE 101 HG12 ILE 101 6.530 5.901 4.730 767 HG13 ILE 101 HG13 ILE 101 6.688 5.001 3.219 768 HG21 ILE 101 HG21 ILE 101 9.983 5.594 5.899 769 HG22 ILE 101 HG22 ILE 101 8.468 6.506 6.054 770 HG23 ILE 101 HG23 ILE 101 8.534 4.790 6.525 771 HD11 ILE 101 HD11 ILE 101 6.888 2.881 4.552 772 HD12 ILE 101 HD12 ILE 101 6.529 3.826 6.018 773 HD13 ILE 101 HD13 ILE 101 5.322 3.708 4.718 774 H TYR 102 H TYR 102 10.715 8.017 4.150 775 HA TYR 102 HA TYR 102 13.087 6.353 3.508 776 HB2 TYR 102 HB2 TYR 102 13.199 8.714 2.841 777 HB3 TYR 102 HB3 TYR 102 12.874 9.205 4.514 778 HD1 TYR 102 HD1 TYR 102 14.728 9.842 5.795 779 HD2 TYR 102 HD2 TYR 102 15.262 6.920 2.689 780 HE1 TYR 102 HE1 TYR 102 17.173 9.752 6.280 781 HE2 TYR 102 HE2 TYR 102 17.686 6.837 3.175 782 HH TYR 102 HH TYR 102 19.188 8.823 5.738 783 H ALA 103 H ALA 103 13.953 5.134 5.081 784 HA ALA 103 HA ALA 103 13.152 5.684 7.872 785 HB1 ALA 103 HB1 ALA 103 12.705 3.464 7.158 786 HB2 ALA 103 HB2 ALA 103 14.348 3.301 6.499 787 HB3 ALA 103 HB3 ALA 103 14.101 3.459 8.261 788 H VAL 104 H VAL 104 14.699 6.373 9.256 789 HA VAL 104 HA VAL 104 17.280 7.111 7.895 790 HB VAL 104 HB VAL 104 16.593 7.954 10.693 791 HG11 VAL 104 HG11 VAL 104 17.260 9.568 8.378 792 HG12 VAL 104 HG12 VAL 104 17.294 10.013 10.090 793 HG13 VAL 104 HG13 VAL 104 18.433 8.785 9.475 794 HG21 VAL 104 HG21 VAL 104 14.946 9.633 9.979 795 HG22 VAL 104 HG22 VAL 104 14.818 8.752 8.433 796 HG23 VAL 104 HG23 VAL 104 14.444 7.942 9.974 797 HA PRO 105 HA PRO 105 17.276 3.671 10.417 798 HB2 PRO 105 HB2 PRO 105 19.564 2.179 9.867 799 HB3 PRO 105 HB3 PRO 105 18.153 2.242 8.756 800 HG2 PRO 105 HG2 PRO 105 20.686 3.877 8.680 801 HG3 PRO 105 HG3 PRO 105 19.908 2.950 7.359 802 HD2 PRO 105 HD2 PRO 105 19.527 5.639 7.672 803 HD3 PRO 105 HD3 PRO 105 18.227 4.556 7.070 804 H TRP 106 H TRP 106 19.974 5.781 10.228 805 HA TRP 106 HA TRP 106 21.614 4.966 12.357 806 HB2 TRP 106 HB2 TRP 106 22.017 6.660 10.507 807 HB3 TRP 106 HB3 TRP 106 21.050 7.810 11.444 808 HD1 TRP 106 HD1 TRP 106 24.114 5.496 12.191 809 HE1 TRP 106 HE1 TRP 106 25.815 6.744 13.605 810 HE3 TRP 106 HE3 TRP 106 21.572 9.914 12.605 811 HZ2 TRP 106 HZ2 TRP 106 26.048 9.326 14.796 812 HZ3 TRP 106 HZ3 TRP 106 22.605 11.774 13.926 813 HH2 TRP 106 HH2 TRP 106 24.832 11.465 15.008 814 H GLN 107 H GLN 107 18.588 6.747 12.408 815 HA GLN 107 HA GLN 107 19.000 7.346 15.303 816 HB2 GLN 107 HB2 GLN 107 17.133 8.510 13.238 817 HB3 GLN 107 HB3 GLN 107 17.143 8.971 14.943 818 HG2 GLN 107 HG2 GLN 107 19.448 9.795 14.689 819 HG3 GLN 107 HG3 GLN 107 19.435 9.311 12.986 820 HE21 GLN 107 HE21 GLN 107 19.429 11.956 14.698 821 HE22 GLN 107 HE22 GLN 107 18.319 12.954 13.789 822 H GLY 108 H GLY 108 17.490 5.089 13.277 823 HA2 GLY 108 HA2 GLY 108 16.002 3.405 13.847 824 HA3 GLY 108 HA3 GLY 108 15.920 4.065 15.494 825 H THR 109 H THR 109 15.386 6.270 12.949 826 HA THR 109 HA THR 109 12.460 6.388 13.566 827 HB THR 109 HB THR 109 12.868 8.716 12.429 828 HG1 THR 109 HG1 THR 109 15.037 9.432 12.759 829 HG21 THR 109 HG21 THR 109 13.560 9.740 14.569 830 HG22 THR 109 HG22 THR 109 12.378 8.445 14.863 831 HG23 THR 109 HG23 THR 109 14.109 8.154 15.161 832 H MET 110 H MET 110 11.144 7.206 11.723 833 HA MET 110 HA MET 110 12.448 6.921 9.084 834 HB2 MET 110 HB2 MET 110 9.744 5.541 9.778 835 HB3 MET 110 HB3 MET 110 10.636 5.420 8.260 836 HG2 MET 110 HG2 MET 110 12.431 4.206 9.563 837 HG3 MET 110 HG3 MET 110 11.313 4.161 10.926 838 HE1 MET 110 HE1 MET 110 11.438 0.471 9.389 839 HE2 MET 110 HE2 MET 110 12.759 1.661 9.402 840 HE3 MET 110 HE3 MET 110 11.746 1.446 10.848 841 H THR 111 H THR 111 10.989 8.057 7.489 842 HA THR 111 HA THR 111 8.688 9.567 8.633 843 HB THR 111 HB THR 111 10.926 10.779 6.951 844 HG1 THR 111 HG1 THR 111 11.329 11.946 8.962 845 HG21 THR 111 HG21 THR 111 8.846 11.904 6.575 846 HG22 THR 111 HG22 THR 111 8.517 11.977 8.327 847 HG23 THR 111 HG23 THR 111 9.853 12.919 7.625 848 H LEU 112 H LEU 112 6.975 9.688 7.101 849 HA LEU 112 HA LEU 112 7.229 8.404 4.565 850 HB2 LEU 112 HB2 LEU 112 5.085 8.671 5.861 851 HB3 LEU 112 HB3 LEU 112 5.153 10.407 5.562 852 HG LEU 112 HG LEU 112 5.000 9.943 3.097 853 HD11 LEU 112 HD11 LEU 112 5.953 7.743 3.048 854 HD12 LEU 112 HD12 LEU 112 4.711 7.123 4.159 855 HD13 LEU 112 HD13 LEU 112 4.270 7.603 2.498 856 HD21 LEU 112 HD21 LEU 112 2.973 10.433 4.438 857 HD22 LEU 112 HD22 LEU 112 2.632 9.306 3.107 858 HD23 LEU 112 HD23 LEU 112 2.780 8.698 4.767 859 H SER 113 H SER 113 8.707 9.237 3.209 860 HA SER 113 HA SER 113 9.258 12.089 3.106 861 HB2 SER 113 HB2 SER 113 10.199 9.646 1.594 862 HB3 SER 113 HB3 SER 113 10.805 11.298 1.263 863 HG SER 113 HG SER 113 11.274 11.369 3.575 864 H LYS 114 H LYS 114 7.377 9.785 1.165 865 HA LYS 114 HA LYS 114 6.340 12.133 -0.328 866 HB2 LYS 114 HB2 LYS 114 8.233 11.188 -1.665 867 HB3 LYS 114 HB3 LYS 114 7.355 9.657 -1.745 868 HG2 LYS 114 HG2 LYS 114 5.516 10.714 -2.935 869 HG3 LYS 114 HG3 LYS 114 6.305 12.297 -2.775 870 HD2 LYS 114 HD2 LYS 114 8.238 11.415 -4.072 871 HD3 LYS 114 HD3 LYS 114 7.336 9.899 -4.314 872 HE2 LYS 114 HE2 LYS 114 5.508 11.166 -5.372 873 HE3 LYS 114 HE3 LYS 114 6.408 12.675 -5.126 874 HZ1 LYS 114 HZ1 LYS 114 8.142 11.795 -6.569 875 HZ2 LYS 114 HZ2 LYS 114 7.304 10.393 -6.795 876 HZ3 LYS 114 HZ3 LYS 114 6.697 11.816 -7.366 877 H SER 115 H SER 115 4.249 12.057 -0.535 878 HA SER 115 HA SER 115 2.893 9.418 -0.798 879 HB2 SER 115 HB2 SER 115 1.009 11.146 0.310 880 HB3 SER 115 HB3 SER 115 1.861 9.866 1.198 881 HG SER 115 HG SER 115 2.155 11.815 2.275 882 H THR 116 H THR 116 2.173 9.447 -2.845 883 HA THR 116 HA THR 116 1.124 12.043 -3.882 884 HB THR 116 HB THR 116 3.534 11.267 -4.784 885 HG1 THR 116 HG1 THR 116 2.194 13.009 -5.560 886 HG21 THR 116 HG21 THR 116 2.695 8.972 -5.416 887 HG22 THR 116 HG22 THR 116 1.631 9.731 -6.627 888 HG23 THR 116 HG23 THR 116 3.400 9.875 -6.775 889 H CYS 117 H CYS 117 -0.553 11.648 -5.490 890 HA CYS 117 HA CYS 117 -1.508 8.877 -5.544 891 HB2 CYS 117 HB2 CYS 117 -2.806 11.116 -4.087 892 HB3 CYS 117 HB3 CYS 117 -3.860 10.027 -5.004 893 H GLN 118 H GLN 118 -3.760 8.986 -6.650 894 HA GLN 118 HA GLN 118 -3.017 9.935 -9.369 895 HB2 GLN 118 HB2 GLN 118 -4.866 8.062 -9.796 896 HB3 GLN 118 HB3 GLN 118 -3.183 7.657 -9.473 897 HG2 GLN 118 HG2 GLN 118 -4.734 6.250 -8.166 898 HG3 GLN 118 HG3 GLN 118 -3.672 7.178 -7.127 899 HE21 GLN 118 HE21 GLN 118 -6.932 7.401 -8.667 900 HE22 GLN 118 HE22 GLN 118 -7.699 8.076 -7.255 901 H ASP 119 H ASP 119 -4.559 10.454 -10.896 902 HA ASP 119 HA ASP 119 -6.845 12.032 -10.073 903 HB2 ASP 119 HB2 ASP 119 -6.076 10.776 -12.739 904 HB3 ASP 119 HB3 ASP 119 -7.401 11.927 -12.512 905 H ALA 120 H ALA 120 -9.070 11.383 -10.345 906 HA ALA 120 HA ALA 120 -9.637 8.685 -9.606 907 HB1 ALA 120 HB1 ALA 120 -11.493 10.805 -10.787 908 HB2 ALA 120 HB2 ALA 120 -12.007 9.327 -9.943 909 HB3 ALA 120 HB3 ALA 120 -11.135 10.600 -9.052 Start of MODEL 16 1 H1 SER 1 H1 SER 1 -1.943 -14.067 6.472 2 H2 SER 1 H2 SER 1 -1.327 -12.592 6.235 3 H3 SER 1 H3 SER 1 -0.911 -13.440 7.547 4 HA SER 1 HA SER 1 -0.239 -14.174 4.771 5 HB2 SER 1 HB2 SER 1 1.581 -13.266 7.038 6 HB3 SER 1 HB3 SER 1 2.058 -13.622 5.366 7 HG SER 1 HG SER 1 1.843 -11.435 5.526 8 H SER 2 H SER 2 1.189 -16.015 4.600 9 HA SER 2 HA SER 2 0.657 -18.111 6.554 10 HB2 SER 2 HB2 SER 2 1.118 -18.556 4.135 11 HB3 SER 2 HB3 SER 2 2.751 -17.895 4.338 12 HG SER 2 HG SER 2 2.673 -20.197 4.479 13 HA PRO 3 HA PRO 3 3.795 -16.675 9.294 14 HB2 PRO 3 HB2 PRO 3 4.648 -18.924 10.593 15 HB3 PRO 3 HB3 PRO 3 3.011 -18.239 10.845 16 HG2 PRO 3 HG2 PRO 3 3.855 -20.458 8.992 17 HG3 PRO 3 HG3 PRO 3 2.557 -20.460 10.232 18 HD2 PRO 3 HD2 PRO 3 1.993 -19.985 7.654 19 HD3 PRO 3 HD3 PRO 3 1.179 -19.045 8.952 20 H GLY 4 H GLY 4 6.157 -16.899 9.874 21 HA2 GLY 4 HA2 GLY 4 8.364 -17.433 9.347 22 HA3 GLY 4 HA3 GLY 4 7.791 -18.502 8.061 23 H LYS 5 H LYS 5 6.697 -15.156 8.204 24 HA LYS 5 HA LYS 5 8.557 -14.532 5.946 25 HB2 LYS 5 HB2 LYS 5 5.634 -13.778 6.239 26 HB3 LYS 5 HB3 LYS 5 6.718 -13.177 4.972 27 HG2 LYS 5 HG2 LYS 5 7.167 -15.550 4.300 28 HG3 LYS 5 HG3 LYS 5 5.949 -16.077 5.469 29 HD2 LYS 5 HD2 LYS 5 4.230 -14.813 4.256 30 HD3 LYS 5 HD3 LYS 5 5.461 -14.291 3.075 31 HE2 LYS 5 HE2 LYS 5 5.959 -16.688 2.592 32 HE3 LYS 5 HE3 LYS 5 4.669 -17.165 3.706 33 HZ1 LYS 5 HZ1 LYS 5 4.281 -15.582 1.232 34 HZ2 LYS 5 HZ2 LYS 5 3.932 -17.181 1.405 35 HZ3 LYS 5 HZ3 LYS 5 3.080 -16.056 2.256 36 HA PRO 6 HA PRO 6 8.930 -11.275 9.279 37 HB2 PRO 6 HB2 PRO 6 11.497 -11.651 10.037 38 HB3 PRO 6 HB3 PRO 6 10.199 -12.736 10.629 39 HG2 PRO 6 HG2 PRO 6 12.072 -13.107 8.320 40 HG3 PRO 6 HG3 PRO 6 11.759 -14.202 9.705 41 HD2 PRO 6 HD2 PRO 6 10.513 -14.516 7.329 42 HD3 PRO 6 HD3 PRO 6 9.677 -14.838 8.887 43 HA PRO 7 HA PRO 7 11.138 -8.593 6.508 44 HB2 PRO 7 HB2 PRO 7 12.686 -6.925 8.028 45 HB3 PRO 7 HB3 PRO 7 10.900 -6.769 7.972 46 HG2 PRO 7 HG2 PRO 7 12.607 -8.194 10.004 47 HG3 PRO 7 HG3 PRO 7 11.315 -6.979 10.273 48 HD2 PRO 7 HD2 PRO 7 10.815 -9.609 10.489 49 HD3 PRO 7 HD3 PRO 7 9.621 -8.500 9.740 50 H ARG 8 H ARG 8 13.236 -8.454 5.490 51 HA ARG 8 HA ARG 8 15.438 -10.004 6.750 52 HB2 ARG 8 HB2 ARG 8 15.756 -11.335 4.742 53 HB3 ARG 8 HB3 ARG 8 14.112 -11.580 5.342 54 HG2 ARG 8 HG2 ARG 8 13.288 -9.944 3.607 55 HG3 ARG 8 HG3 ARG 8 14.945 -9.842 2.981 56 HD2 ARG 8 HD2 ARG 8 13.808 -11.408 1.606 57 HD3 ARG 8 HD3 ARG 8 14.886 -12.339 2.656 58 HE ARG 8 HE ARG 8 13.023 -13.191 3.841 59 HH11 ARG 8 HH11 ARG 8 11.926 -10.971 1.318 60 HH12 ARG 8 HH12 ARG 8 10.257 -11.482 1.465 61 HH21 ARG 8 HH21 ARG 8 10.883 -13.793 3.958 62 HH22 ARG 8 HH22 ARG 8 9.687 -13.062 2.912 63 H LEU 9 H LEU 9 17.506 -9.536 5.655 64 HA LEU 9 HA LEU 9 17.419 -7.139 3.866 65 HB2 LEU 9 HB2 LEU 9 19.361 -7.601 6.182 66 HB3 LEU 9 HB3 LEU 9 19.397 -6.246 5.063 67 HG LEU 9 HG LEU 9 17.191 -6.753 7.095 68 HD11 LEU 9 HD11 LEU 9 19.353 -6.300 8.176 69 HD12 LEU 9 HD12 LEU 9 19.556 -4.836 7.185 70 HD13 LEU 9 HD13 LEU 9 18.240 -4.934 8.380 71 HD21 LEU 9 HD21 LEU 9 16.446 -5.395 5.174 72 HD22 LEU 9 HD22 LEU 9 16.553 -4.423 6.653 73 HD23 LEU 9 HD23 LEU 9 17.825 -4.297 5.418 74 H VAL 10 H VAL 10 18.164 -7.402 2.227 75 HA VAL 10 HA VAL 10 20.091 -9.581 1.699 76 HB VAL 10 HB VAL 10 18.053 -8.019 0.066 77 HG11 VAL 10 HG11 VAL 10 18.619 -9.534 -1.731 78 HG12 VAL 10 HG12 VAL 10 19.871 -8.361 -1.298 79 HG13 VAL 10 HG13 VAL 10 20.033 -10.054 -0.777 80 HG21 VAL 10 HG21 VAL 10 18.224 -10.970 0.865 81 HG22 VAL 10 HG22 VAL 10 17.082 -9.770 1.515 82 HG23 VAL 10 HG23 VAL 10 16.974 -10.260 -0.186 83 H GLY 11 H GLY 11 19.406 -6.114 1.190 84 HA2 GLY 11 HA2 GLY 11 21.210 -4.494 1.227 85 HA3 GLY 11 HA3 GLY 11 22.278 -5.707 0.488 86 H GLY 12 H GLY 12 21.362 -2.918 -0.429 87 HA2 GLY 12 HA2 GLY 12 20.934 -1.994 -2.510 88 HA3 GLY 12 HA3 GLY 12 20.999 -3.630 -3.201 89 HA PRO 13 HA PRO 13 16.586 -2.419 -2.967 90 HB2 PRO 13 HB2 PRO 13 15.816 -2.456 -5.549 91 HB3 PRO 13 HB3 PRO 13 16.636 -1.031 -4.833 92 HG2 PRO 13 HG2 PRO 13 17.791 -3.239 -6.525 93 HG3 PRO 13 HG3 PRO 13 18.054 -1.472 -6.640 94 HD2 PRO 13 HD2 PRO 13 19.781 -3.234 -5.367 95 HD3 PRO 13 HD3 PRO 13 19.642 -1.490 -4.955 96 H MET 14 H MET 14 14.939 -3.897 -2.793 97 HA MET 14 HA MET 14 15.016 -6.401 -4.376 98 HB2 MET 14 HB2 MET 14 14.784 -7.803 -2.367 99 HB3 MET 14 HB3 MET 14 16.331 -6.944 -2.319 100 HG2 MET 14 HG2 MET 14 15.438 -5.328 -0.723 101 HG3 MET 14 HG3 MET 14 13.826 -6.036 -0.866 102 HE1 MET 14 HE1 MET 14 14.207 -7.253 2.603 103 HE2 MET 14 HE2 MET 14 14.723 -5.653 2.024 104 HE3 MET 14 HE3 MET 14 13.255 -6.416 1.361 105 H ASP 15 H ASP 15 12.829 -7.284 -4.509 106 HA ASP 15 HA ASP 15 10.752 -5.421 -3.486 107 HB2 ASP 15 HB2 ASP 15 10.793 -7.631 -5.524 108 HB3 ASP 15 HB3 ASP 15 9.276 -7.273 -4.682 109 H ALA 16 H ALA 16 9.185 -6.210 -1.892 110 HA ALA 16 HA ALA 16 9.824 -8.873 -0.645 111 HB1 ALA 16 HB1 ALA 16 10.592 -7.164 0.874 112 HB2 ALA 16 HB2 ALA 16 9.082 -6.250 0.658 113 HB3 ALA 16 HB3 ALA 16 9.054 -7.827 1.476 114 H SER 17 H SER 17 7.915 -9.873 0.085 115 HA SER 17 HA SER 17 5.792 -9.435 -1.901 116 HB2 SER 17 HB2 SER 17 4.866 -11.508 -1.184 117 HB3 SER 17 HB3 SER 17 6.628 -11.727 -1.166 118 HG SER 17 HG SER 17 6.621 -11.729 1.001 119 H VAL 18 H VAL 18 3.482 -9.258 -1.333 120 HA VAL 18 HA VAL 18 3.049 -7.205 0.623 121 HB VAL 18 HB VAL 18 0.663 -7.457 0.098 122 HG11 VAL 18 HG11 VAL 18 2.294 -7.900 -2.434 123 HG12 VAL 18 HG12 VAL 18 0.741 -7.050 -2.286 124 HG13 VAL 18 HG13 VAL 18 2.202 -6.359 -1.548 125 HG21 VAL 18 HG21 VAL 18 0.466 -9.922 0.093 126 HG22 VAL 18 HG22 VAL 18 -0.149 -9.254 -1.427 127 HG23 VAL 18 HG23 VAL 18 1.453 -10.021 -1.385 128 H GLU 19 H GLU 19 3.343 -10.577 0.862 129 HA GLU 19 HA GLU 19 1.748 -10.833 3.294 130 HB2 GLU 19 HB2 GLU 19 3.414 -12.602 1.558 131 HB3 GLU 19 HB3 GLU 19 3.173 -13.059 3.256 132 HG2 GLU 19 HG2 GLU 19 0.716 -12.769 2.909 133 HG3 GLU 19 HG3 GLU 19 1.056 -12.616 1.170 134 H GLU 20 H GLU 20 5.126 -10.122 2.411 135 HA GLU 20 HA GLU 20 6.152 -10.686 4.942 136 HB2 GLU 20 HB2 GLU 20 7.162 -8.893 2.816 137 HB3 GLU 20 HB3 GLU 20 7.696 -8.567 4.479 138 HG2 GLU 20 HG2 GLU 20 9.178 -9.998 3.783 139 HG3 GLU 20 HG3 GLU 20 7.977 -10.937 4.711 140 H GLU 21 H GLU 21 6.464 -10.014 6.779 141 HA GLU 21 HA GLU 21 4.555 -8.164 7.381 142 HB2 GLU 21 HB2 GLU 21 5.129 -8.366 9.729 143 HB3 GLU 21 HB3 GLU 21 5.129 -9.945 8.930 144 HG2 GLU 21 HG2 GLU 21 7.591 -9.632 8.592 145 HG3 GLU 21 HG3 GLU 21 7.477 -8.244 9.679 146 H GLY 22 H GLY 22 7.812 -7.871 6.583 147 HA2 GLY 22 HA2 GLY 22 8.302 -5.227 7.597 148 HA3 GLY 22 HA3 GLY 22 9.170 -6.021 6.266 149 H VAL 23 H VAL 23 6.475 -6.490 4.868 150 HA VAL 23 HA VAL 23 6.267 -3.819 3.612 151 HB VAL 23 HB VAL 23 5.000 -6.520 2.967 152 HG11 VAL 23 HG11 VAL 23 4.657 -3.857 1.591 153 HG12 VAL 23 HG12 VAL 23 4.291 -5.432 0.838 154 HG13 VAL 23 HG13 VAL 23 3.415 -4.931 2.283 155 HG21 VAL 23 HG21 VAL 23 7.075 -4.848 1.537 156 HG22 VAL 23 HG22 VAL 23 7.370 -6.362 2.434 157 HG23 VAL 23 HG23 VAL 23 6.405 -6.375 0.952 158 H ARG 24 H ARG 24 4.296 -6.213 5.416 159 HA ARG 24 HA ARG 24 1.839 -4.865 5.293 160 HB2 ARG 24 HB2 ARG 24 3.020 -6.587 7.469 161 HB3 ARG 24 HB3 ARG 24 1.354 -5.994 7.475 162 HG2 ARG 24 HG2 ARG 24 0.932 -7.115 5.317 163 HG3 ARG 24 HG3 ARG 24 2.583 -7.732 5.296 164 HD2 ARG 24 HD2 ARG 24 1.020 -9.448 6.078 165 HD3 ARG 24 HD3 ARG 24 2.177 -8.995 7.358 166 HE ARG 24 HE ARG 24 0.436 -8.141 8.624 167 HH11 ARG 24 HH11 ARG 24 -0.804 -8.573 5.340 168 HH12 ARG 24 HH12 ARG 24 -2.434 -8.164 5.812 169 HH21 ARG 24 HH21 ARG 24 -1.657 -7.618 9.134 170 HH22 ARG 24 HH22 ARG 24 -2.902 -7.634 7.916 171 H ARG 25 H ARG 25 4.470 -4.320 7.680 172 HA ARG 25 HA ARG 25 2.932 -2.412 9.166 173 HB2 ARG 25 HB2 ARG 25 5.004 -1.640 10.092 174 HB3 ARG 25 HB3 ARG 25 4.983 -3.402 10.028 175 HG2 ARG 25 HG2 ARG 25 7.111 -3.137 9.285 176 HG3 ARG 25 HG3 ARG 25 6.317 -2.915 7.721 177 HD2 ARG 25 HD2 ARG 25 7.984 -1.148 8.064 178 HD3 ARG 25 HD3 ARG 25 6.364 -0.448 8.058 179 HE ARG 25 HE ARG 25 6.503 -0.020 10.375 180 HH11 ARG 25 HH11 ARG 25 9.521 -1.447 9.207 181 HH12 ARG 25 HH12 ARG 25 10.405 -0.939 10.619 182 HH21 ARG 25 HH21 ARG 25 7.704 0.583 12.135 183 HH22 ARG 25 HH22 ARG 25 9.397 0.186 12.240 184 H ALA 26 H ALA 26 4.579 -2.075 6.133 185 HA ALA 26 HA ALA 26 4.602 0.824 6.192 186 HB1 ALA 26 HB1 ALA 26 6.471 -0.353 5.101 187 HB2 ALA 26 HB2 ALA 26 5.334 -1.192 4.018 188 HB3 ALA 26 HB3 ALA 26 5.534 0.563 3.897 189 H LEU 27 H LEU 27 2.750 -1.912 4.872 190 HA LEU 27 HA LEU 27 1.146 -0.502 3.025 191 HB2 LEU 27 HB2 LEU 27 0.279 -2.760 4.898 192 HB3 LEU 27 HB3 LEU 27 -0.600 -2.200 3.497 193 HG LEU 27 HG LEU 27 1.938 -3.822 3.554 194 HD11 LEU 27 HD11 LEU 27 0.586 -5.439 2.340 195 HD12 LEU 27 HD12 LEU 27 -0.238 -4.994 3.849 196 HD13 LEU 27 HD13 LEU 27 -0.790 -4.309 2.303 197 HD21 LEU 27 HD21 LEU 27 2.286 -2.222 1.918 198 HD22 LEU 27 HD22 LEU 27 1.765 -3.708 1.101 199 HD23 LEU 27 HD23 LEU 27 0.614 -2.365 1.308 200 H ASP 28 H ASP 28 0.378 -1.401 6.409 201 HA ASP 28 HA ASP 28 -2.039 0.157 6.393 202 HB2 ASP 28 HB2 ASP 28 -0.339 -0.951 8.684 203 HB3 ASP 28 HB3 ASP 28 -1.985 -0.313 8.859 204 H PHE 29 H PHE 29 1.308 0.819 7.366 205 HA PHE 29 HA PHE 29 0.820 3.297 8.718 206 HB2 PHE 29 HB2 PHE 29 2.941 2.083 8.838 207 HB3 PHE 29 HB3 PHE 29 3.186 2.283 7.102 208 HD1 PHE 29 HD1 PHE 29 3.247 3.961 10.391 209 HD2 PHE 29 HD2 PHE 29 3.938 4.406 6.171 210 HE1 PHE 29 HE1 PHE 29 4.540 6.046 10.823 211 HE2 PHE 29 HE2 PHE 29 5.239 6.478 6.595 212 HZ PHE 29 HZ PHE 29 5.554 7.296 8.925 213 H ALA 30 H ALA 30 1.622 2.502 5.263 214 HA ALA 30 HA ALA 30 1.634 5.218 4.398 215 HB1 ALA 30 HB1 ALA 30 1.187 4.339 2.146 216 HB2 ALA 30 HB2 ALA 30 2.378 3.336 3.003 217 HB3 ALA 30 HB3 ALA 30 0.689 2.780 2.842 218 H VAL 31 H VAL 31 -1.241 3.079 4.564 219 HA VAL 31 HA VAL 31 -3.060 4.931 3.228 220 HB VAL 31 HB VAL 31 -4.130 3.040 5.233 221 HG11 VAL 31 HG11 VAL 31 -5.531 2.239 3.489 222 HG12 VAL 31 HG12 VAL 31 -5.617 3.990 3.750 223 HG13 VAL 31 HG13 VAL 31 -4.709 3.349 2.358 224 HG21 VAL 31 HG21 VAL 31 -2.382 2.008 3.166 225 HG22 VAL 31 HG22 VAL 31 -2.311 1.934 4.960 226 HG23 VAL 31 HG23 VAL 31 -3.592 1.056 4.080 227 H GLY 32 H GLY 32 -2.078 3.957 6.489 228 HA2 GLY 32 HA2 GLY 32 -4.132 5.272 7.915 229 HA3 GLY 32 HA3 GLY 32 -2.508 4.885 8.534 230 H GLU 33 H GLU 33 -1.064 6.232 6.527 231 HA GLU 33 HA GLU 33 -1.333 8.921 7.844 232 HB2 GLU 33 HB2 GLU 33 0.817 7.669 6.137 233 HB3 GLU 33 HB3 GLU 33 0.829 9.386 6.635 234 HG2 GLU 33 HG2 GLU 33 0.313 8.501 8.933 235 HG3 GLU 33 HG3 GLU 33 0.833 6.938 8.304 236 H TYR 34 H TYR 34 -1.921 7.460 4.907 237 HA TYR 34 HA TYR 34 -2.062 10.037 3.600 238 HB2 TYR 34 HB2 TYR 34 -1.097 8.159 2.357 239 HB3 TYR 34 HB3 TYR 34 -2.678 7.364 2.338 240 HD1 TYR 34 HD1 TYR 34 -1.187 10.745 1.535 241 HD2 TYR 34 HD2 TYR 34 -3.975 7.671 0.380 242 HE1 TYR 34 HE1 TYR 34 -1.805 12.062 -0.482 243 HE2 TYR 34 HE2 TYR 34 -4.586 9.005 -1.646 244 HH TYR 34 HH TYR 34 -3.167 12.227 -2.284 245 H ASN 35 H ASN 35 -4.271 7.370 3.873 246 HA ASN 35 HA ASN 35 -6.538 8.956 2.932 247 HB2 ASN 35 HB2 ASN 35 -6.006 6.071 3.717 248 HB3 ASN 35 HB3 ASN 35 -7.660 6.652 3.394 249 HD21 ASN 35 HD21 ASN 35 -7.688 8.091 1.275 250 HD22 ASN 35 HD22 ASN 35 -6.915 7.323 -0.090 251 H LYS 36 H LYS 36 -5.741 7.058 5.841 252 HA LYS 36 HA LYS 36 -8.144 7.854 7.248 253 HB2 LYS 36 HB2 LYS 36 -7.030 5.804 7.809 254 HB3 LYS 36 HB3 LYS 36 -5.512 6.645 8.047 255 HG2 LYS 36 HG2 LYS 36 -7.757 7.464 9.830 256 HG3 LYS 36 HG3 LYS 36 -7.052 5.857 10.099 257 HD2 LYS 36 HD2 LYS 36 -5.103 6.699 10.910 258 HD3 LYS 36 HD3 LYS 36 -5.025 7.939 9.656 259 HE2 LYS 36 HE2 LYS 36 -5.174 8.937 11.906 260 HE3 LYS 36 HE3 LYS 36 -6.530 9.393 10.864 261 HZ1 LYS 36 HZ1 LYS 36 -7.263 8.830 13.074 262 HZ2 LYS 36 HZ2 LYS 36 -7.886 7.765 11.980 263 HZ3 LYS 36 HZ3 LYS 36 -6.631 7.309 12.952 264 H ALA 37 H ALA 37 -4.894 9.175 6.940 265 HA ALA 37 HA ALA 37 -5.136 10.948 9.201 266 HB1 ALA 37 HB1 ALA 37 -3.159 11.946 8.403 267 HB2 ALA 37 HB2 ALA 37 -3.020 10.186 8.150 268 HB3 ALA 37 HB3 ALA 37 -3.418 11.262 6.782 269 H SER 38 H SER 38 -5.891 11.037 5.738 270 HA SER 38 HA SER 38 -6.644 13.866 5.744 271 HB2 SER 38 HB2 SER 38 -7.311 11.596 3.831 272 HB3 SER 38 HB3 SER 38 -7.735 13.300 3.568 273 HG SER 38 HG SER 38 -5.218 12.047 3.532 274 H ASN 39 H ASN 39 -8.793 14.696 5.601 275 HA ASN 39 HA ASN 39 -10.705 13.216 7.292 276 HB2 ASN 39 HB2 ASN 39 -10.144 15.709 7.469 277 HB3 ASN 39 HB3 ASN 39 -11.076 15.907 5.978 278 HD21 ASN 39 HD21 ASN 39 -13.098 16.534 6.322 279 HD22 ASN 39 HD22 ASN 39 -14.065 16.129 7.717 280 H ASP 40 H ASP 40 -10.484 11.725 5.167 281 HA ASP 40 HA ASP 40 -12.098 12.481 2.906 282 HB2 ASP 40 HB2 ASP 40 -10.323 10.644 3.015 283 HB3 ASP 40 HB3 ASP 40 -11.546 9.638 3.807 284 H MET 41 H MET 41 -14.195 12.464 2.618 285 HA MET 41 HA MET 41 -16.033 11.923 4.795 286 HB2 MET 41 HB2 MET 41 -16.472 12.489 1.838 287 HB3 MET 41 HB3 MET 41 -17.746 12.470 3.065 288 HG2 MET 41 HG2 MET 41 -16.682 14.367 4.218 289 HG3 MET 41 HG3 MET 41 -15.370 14.365 3.025 290 HE1 MET 41 HE1 MET 41 -19.748 15.723 2.253 291 HE2 MET 41 HE2 MET 41 -19.397 14.035 2.689 292 HE3 MET 41 HE3 MET 41 -19.048 15.343 3.844 293 H TYR 42 H TYR 42 -14.576 10.010 2.361 294 HA TYR 42 HA TYR 42 -16.693 7.899 2.646 295 HB2 TYR 42 HB2 TYR 42 -14.892 8.517 0.274 296 HB3 TYR 42 HB3 TYR 42 -16.061 7.194 0.365 297 HD1 TYR 42 HD1 TYR 42 -15.677 10.893 0.118 298 HD2 TYR 42 HD2 TYR 42 -18.449 7.601 0.031 299 HE1 TYR 42 HE1 TYR 42 -17.453 12.405 -0.771 300 HE2 TYR 42 HE2 TYR 42 -20.219 9.125 -0.859 301 HH TYR 42 HH TYR 42 -19.623 12.595 -1.448 302 H HIS 43 H HIS 43 -15.729 5.663 2.375 303 HA HIS 43 HA HIS 43 -13.126 5.573 3.765 304 HB2 HIS 43 HB2 HIS 43 -15.026 3.406 2.782 305 HB3 HIS 43 HB3 HIS 43 -13.497 3.090 3.609 306 HD1 HIS 43 HD1 HIS 43 -14.778 5.947 5.333 307 HD2 HIS 43 HD2 HIS 43 -15.717 1.900 5.289 308 HE1 HIS 43 HE1 HIS 43 -16.038 5.477 7.471 309 H SER 44 H SER 44 -11.370 5.889 2.511 310 HA SER 44 HA SER 44 -11.281 4.467 -0.125 311 HB2 SER 44 HB2 SER 44 -9.803 6.979 0.753 312 HB3 SER 44 HB3 SER 44 -9.619 6.156 -0.812 313 HG SER 44 HG SER 44 -11.475 7.952 -0.002 314 H ARG 45 H ARG 45 -9.431 3.207 -0.475 315 HA ARG 45 HA ARG 45 -7.542 2.960 1.808 316 HB2 ARG 45 HB2 ARG 45 -9.775 1.551 2.027 317 HB3 ARG 45 HB3 ARG 45 -9.045 0.540 0.783 318 HG2 ARG 45 HG2 ARG 45 -7.010 0.425 2.446 319 HG3 ARG 45 HG3 ARG 45 -8.195 0.984 3.639 320 HD2 ARG 45 HD2 ARG 45 -8.281 -1.375 3.775 321 HD3 ARG 45 HD3 ARG 45 -9.689 -0.939 2.783 322 HE ARG 45 HE ARG 45 -7.305 -1.471 1.188 323 HH11 ARG 45 HH11 ARG 45 -10.021 -3.079 2.789 324 HH12 ARG 45 HH12 ARG 45 -9.889 -4.490 1.775 325 HH21 ARG 45 HH21 ARG 45 -7.203 -3.279 -0.051 326 HH22 ARG 45 HH22 ARG 45 -8.332 -4.589 0.175 327 H ALA 46 H ALA 46 -5.715 1.620 1.303 328 HA ALA 46 HA ALA 46 -4.929 1.405 -1.466 329 HB1 ALA 46 HB1 ALA 46 -3.106 -0.108 -0.512 330 HB2 ALA 46 HB2 ALA 46 -3.189 1.475 0.320 331 HB3 ALA 46 HB3 ALA 46 -3.891 0.043 1.104 332 H LEU 47 H LEU 47 -6.340 0.266 -2.718 333 HA LEU 47 HA LEU 47 -7.904 -1.950 -1.726 334 HB2 LEU 47 HB2 LEU 47 -7.238 -0.756 -4.406 335 HB3 LEU 47 HB3 LEU 47 -7.950 -2.353 -4.349 336 HG LEU 47 HG LEU 47 -9.262 0.196 -3.386 337 HD11 LEU 47 HD11 LEU 47 -9.004 0.008 -5.792 338 HD12 LEU 47 HD12 LEU 47 -9.560 -1.677 -5.773 339 HD13 LEU 47 HD13 LEU 47 -10.696 -0.357 -5.385 340 HD21 LEU 47 HD21 LEU 47 -10.078 -1.635 -2.006 341 HD22 LEU 47 HD22 LEU 47 -11.301 -1.295 -3.242 342 HD23 LEU 47 HD23 LEU 47 -10.224 -2.701 -3.422 343 H GLN 48 H GLN 48 -5.091 -1.619 -3.831 344 HA GLN 48 HA GLN 48 -4.379 -4.458 -3.423 345 HB2 GLN 48 HB2 GLN 48 -6.012 -4.221 -5.368 346 HB3 GLN 48 HB3 GLN 48 -4.844 -3.151 -6.143 347 HG2 GLN 48 HG2 GLN 48 -3.154 -5.019 -6.081 348 HG3 GLN 48 HG3 GLN 48 -4.427 -6.087 -5.470 349 HE21 GLN 48 HE21 GLN 48 -6.533 -5.905 -6.887 350 HE22 GLN 48 HE22 GLN 48 -6.234 -6.015 -8.613 351 H VAL 49 H VAL 49 -2.187 -4.555 -3.228 352 HA VAL 49 HA VAL 49 -0.654 -2.158 -3.883 353 HB VAL 49 HB VAL 49 -0.052 -4.670 -2.352 354 HG11 VAL 49 HG11 VAL 49 2.387 -4.175 -2.397 355 HG12 VAL 49 HG12 VAL 49 1.800 -4.706 -3.977 356 HG13 VAL 49 HG13 VAL 49 2.117 -2.977 -3.675 357 HG21 VAL 49 HG21 VAL 49 0.958 -3.048 -0.830 358 HG22 VAL 49 HG22 VAL 49 0.775 -1.712 -2.010 359 HG23 VAL 49 HG23 VAL 49 -0.662 -2.492 -1.271 360 H VAL 50 H VAL 50 0.441 -1.842 -5.693 361 HA VAL 50 HA VAL 50 0.336 -3.935 -7.770 362 HB VAL 50 HB VAL 50 1.542 -1.120 -7.899 363 HG11 VAL 50 HG11 VAL 50 1.286 -1.377 -10.341 364 HG12 VAL 50 HG12 VAL 50 2.292 -2.691 -9.696 365 HG13 VAL 50 HG13 VAL 50 0.595 -3.002 -10.116 366 HG21 VAL 50 HG21 VAL 50 -0.588 -0.501 -9.049 367 HG22 VAL 50 HG22 VAL 50 -1.260 -2.081 -8.583 368 HG23 VAL 50 HG23 VAL 50 -0.803 -0.897 -7.336 369 H ARG 51 H ARG 51 2.692 -2.051 -5.825 370 HA ARG 51 HA ARG 51 4.747 -4.158 -6.353 371 HB2 ARG 51 HB2 ARG 51 5.338 -1.180 -6.562 372 HB3 ARG 51 HB3 ARG 51 6.472 -2.498 -6.812 373 HG2 ARG 51 HG2 ARG 51 4.111 -1.876 -8.616 374 HG3 ARG 51 HG3 ARG 51 5.775 -1.358 -8.902 375 HD2 ARG 51 HD2 ARG 51 6.507 -3.699 -9.007 376 HD3 ARG 51 HD3 ARG 51 4.850 -4.231 -8.685 377 HE ARG 51 HE ARG 51 4.930 -2.501 -10.971 378 HH11 ARG 51 HH11 ARG 51 5.583 -5.826 -9.997 379 HH12 ARG 51 HH12 ARG 51 5.334 -6.448 -11.607 380 HH21 ARG 51 HH21 ARG 51 4.616 -3.364 -12.999 381 HH22 ARG 51 HH22 ARG 51 4.796 -5.075 -13.274 382 H ALA 52 H ALA 52 6.085 -4.506 -4.580 383 HA ALA 52 HA ALA 52 6.089 -2.467 -2.415 384 HB1 ALA 52 HB1 ALA 52 5.416 -5.436 -2.089 385 HB2 ALA 52 HB2 ALA 52 5.853 -4.357 -0.747 386 HB3 ALA 52 HB3 ALA 52 4.374 -4.054 -1.678 387 H ARG 53 H ARG 53 8.117 -1.988 -2.043 388 HA ARG 53 HA ARG 53 10.134 -4.116 -2.183 389 HB2 ARG 53 HB2 ARG 53 11.467 -2.984 -3.914 390 HB3 ARG 53 HB3 ARG 53 9.940 -3.603 -4.508 391 HG2 ARG 53 HG2 ARG 53 10.286 -0.766 -3.758 392 HG3 ARG 53 HG3 ARG 53 10.720 -1.400 -5.348 393 HD2 ARG 53 HD2 ARG 53 8.320 -2.398 -5.322 394 HD3 ARG 53 HD3 ARG 53 8.025 -1.220 -4.040 395 HE ARG 53 HE ARG 53 7.828 0.433 -5.614 396 HH11 ARG 53 HH11 ARG 53 9.526 -2.270 -7.172 397 HH12 ARG 53 HH12 ARG 53 9.436 -1.514 -8.742 398 HH21 ARG 53 HH21 ARG 53 7.688 1.271 -7.610 399 HH22 ARG 53 HH22 ARG 53 8.436 0.484 -8.983 400 H LYS 54 H LYS 54 12.342 -3.260 -1.938 401 HA LYS 54 HA LYS 54 12.329 -0.956 -0.081 402 HB2 LYS 54 HB2 LYS 54 13.110 -3.852 0.497 403 HB3 LYS 54 HB3 LYS 54 13.749 -2.507 1.452 404 HG2 LYS 54 HG2 LYS 54 11.989 -2.626 2.732 405 HG3 LYS 54 HG3 LYS 54 11.014 -2.065 1.378 406 HD2 LYS 54 HD2 LYS 54 10.667 -4.534 0.720 407 HD3 LYS 54 HD3 LYS 54 11.420 -4.949 2.275 408 HE2 LYS 54 HE2 LYS 54 8.883 -3.382 1.749 409 HE3 LYS 54 HE3 LYS 54 9.087 -4.866 2.693 410 HZ1 LYS 54 HZ1 LYS 54 8.789 -3.048 4.190 411 HZ2 LYS 54 HZ2 LYS 54 10.373 -3.493 4.308 412 HZ3 LYS 54 HZ3 LYS 54 9.964 -2.139 3.463 413 H GLN 55 H GLN 55 14.261 0.098 0.019 414 HA GLN 55 HA GLN 55 16.516 -0.960 -1.649 415 HB2 GLN 55 HB2 GLN 55 15.596 1.089 -2.585 416 HB3 GLN 55 HB3 GLN 55 15.552 1.854 -0.998 417 HG2 GLN 55 HG2 GLN 55 18.208 0.938 -2.090 418 HG3 GLN 55 HG3 GLN 55 17.468 2.405 -2.752 419 HE21 GLN 55 HE21 GLN 55 19.670 1.422 -0.556 420 HE22 GLN 55 HE22 GLN 55 19.500 2.698 0.636 421 H ILE 56 H ILE 56 18.046 -1.764 -0.327 422 HA ILE 56 HA ILE 56 18.160 -0.727 2.474 423 HB ILE 56 HB ILE 56 19.383 -3.256 1.279 424 HG12 ILE 56 HG12 ILE 56 17.004 -3.506 1.088 425 HG13 ILE 56 HG13 ILE 56 17.568 -4.498 2.426 426 HG21 ILE 56 HG21 ILE 56 20.567 -2.564 3.298 427 HG22 ILE 56 HG22 ILE 56 19.037 -2.344 4.179 428 HG23 ILE 56 HG23 ILE 56 19.564 -3.972 3.690 429 HD11 ILE 56 HD11 ILE 56 16.016 -1.875 2.601 430 HD12 ILE 56 HD12 ILE 56 15.495 -3.490 3.117 431 HD13 ILE 56 HD13 ILE 56 16.770 -2.644 4.015 432 H GLY 57 H GLY 57 19.982 0.334 3.203 433 HA2 GLY 57 HA2 GLY 57 22.593 -0.002 2.181 434 HA3 GLY 57 HA3 GLY 57 21.854 1.391 1.351 435 H ALA 58 H ALA 58 23.513 2.696 2.535 436 HA ALA 58 HA ALA 58 23.549 2.888 5.385 437 HB1 ALA 58 HB1 ALA 58 24.218 5.001 3.279 438 HB2 ALA 58 HB2 ALA 58 24.679 5.058 4.996 439 HB3 ALA 58 HB3 ALA 58 25.347 3.793 3.943 440 H GLY 59 H GLY 59 21.440 4.189 2.927 441 HA2 GLY 59 HA2 GLY 59 19.703 5.337 5.077 442 HA3 GLY 59 HA3 GLY 59 19.814 6.036 3.419 443 H VAL 60 H VAL 60 17.492 4.522 4.818 444 HA VAL 60 HA VAL 60 17.354 2.262 2.847 445 HB VAL 60 HB VAL 60 16.291 2.423 5.710 446 HG11 VAL 60 HG11 VAL 60 15.518 0.082 5.354 447 HG12 VAL 60 HG12 VAL 60 14.662 1.239 4.318 448 HG13 VAL 60 HG13 VAL 60 15.949 0.219 3.636 449 HG21 VAL 60 HG21 VAL 60 18.708 1.923 5.582 450 HG22 VAL 60 HG22 VAL 60 17.795 0.510 6.142 451 HG23 VAL 60 HG23 VAL 60 18.376 0.585 4.463 452 H ASN 61 H ASN 61 15.600 2.296 1.519 453 HA ASN 61 HA ASN 61 13.381 4.171 2.296 454 HB2 ASN 61 HB2 ASN 61 14.768 3.818 -0.366 455 HB3 ASN 61 HB3 ASN 61 13.097 4.387 -0.266 456 HD21 ASN 61 HD21 ASN 61 16.427 5.173 0.208 457 HD22 ASN 61 HD22 ASN 61 16.160 6.863 0.603 458 H TYR 62 H TYR 62 11.403 3.365 2.190 459 HA TYR 62 HA TYR 62 11.066 0.640 0.972 460 HB2 TYR 62 HB2 TYR 62 9.226 2.188 2.831 461 HB3 TYR 62 HB3 TYR 62 8.976 0.545 2.259 462 HD1 TYR 62 HD1 TYR 62 8.955 1.523 5.167 463 HD2 TYR 62 HD2 TYR 62 12.113 -0.166 2.761 464 HE1 TYR 62 HE1 TYR 62 10.071 0.657 7.219 465 HE2 TYR 62 HE2 TYR 62 13.209 -1.027 4.826 466 HH TYR 62 HH TYR 62 13.173 -1.076 7.132 467 H PHE 63 H PHE 63 9.702 0.512 -0.808 468 HA PHE 63 HA PHE 63 8.277 3.046 -1.562 469 HB2 PHE 63 HB2 PHE 63 9.600 1.010 -3.375 470 HB3 PHE 63 HB3 PHE 63 8.608 2.354 -3.924 471 HD1 PHE 63 HD1 PHE 63 11.868 1.374 -2.456 472 HD2 PHE 63 HD2 PHE 63 9.482 4.620 -3.967 473 HE1 PHE 63 HE1 PHE 63 13.898 2.807 -2.573 474 HE2 PHE 63 HE2 PHE 63 11.512 6.058 -4.092 475 HZ PHE 63 HZ PHE 63 13.723 5.159 -3.376 476 H LEU 64 H LEU 64 6.158 2.755 -1.895 477 HA LEU 64 HA LEU 64 5.170 -0.030 -2.161 478 HB2 LEU 64 HB2 LEU 64 5.260 0.789 0.255 479 HB3 LEU 64 HB3 LEU 64 4.073 2.000 -0.175 480 HG LEU 64 HG LEU 64 3.319 -0.125 1.055 481 HD11 LEU 64 HD11 LEU 64 1.857 0.599 -1.514 482 HD12 LEU 64 HD12 LEU 64 1.169 -0.170 -0.066 483 HD13 LEU 64 HD13 LEU 64 1.763 1.498 0.019 484 HD21 LEU 64 HD21 LEU 64 3.425 -1.304 -1.751 485 HD22 LEU 64 HD22 LEU 64 4.614 -1.655 -0.474 486 HD23 LEU 64 HD23 LEU 64 2.921 -2.096 -0.263 487 H ASP 65 H ASP 65 3.977 -0.089 -3.917 488 HA ASP 65 HA ASP 65 2.471 2.409 -4.671 489 HB2 ASP 65 HB2 ASP 65 3.622 0.214 -6.479 490 HB3 ASP 65 HB3 ASP 65 2.743 1.649 -7.023 491 H VAL 66 H VAL 66 0.640 2.369 -5.215 492 HA VAL 66 HA VAL 66 -1.012 0.037 -4.783 493 HB VAL 66 HB VAL 66 -0.189 1.638 -2.600 494 HG11 VAL 66 HG11 VAL 66 -2.326 2.133 -1.629 495 HG12 VAL 66 HG12 VAL 66 -2.222 2.984 -3.163 496 HG13 VAL 66 HG13 VAL 66 -3.187 1.484 -3.055 497 HG21 VAL 66 HG21 VAL 66 -2.236 -0.449 -2.795 498 HG22 VAL 66 HG22 VAL 66 -0.489 -0.627 -2.871 499 HG23 VAL 66 HG23 VAL 66 -1.192 0.032 -1.415 500 H GLU 67 H GLU 67 -2.963 -0.078 -5.241 501 HA GLU 67 HA GLU 67 -4.025 2.051 -7.005 502 HB2 GLU 67 HB2 GLU 67 -3.960 -0.413 -7.626 503 HB3 GLU 67 HB3 GLU 67 -5.169 -0.687 -6.364 504 HG2 GLU 67 HG2 GLU 67 -6.680 0.899 -7.518 505 HG3 GLU 67 HG3 GLU 67 -5.461 1.098 -8.793 506 H LEU 68 H LEU 68 -5.757 3.284 -6.473 507 HA LEU 68 HA LEU 68 -7.037 2.793 -3.813 508 HB2 LEU 68 HB2 LEU 68 -6.260 5.281 -5.270 509 HB3 LEU 68 HB3 LEU 68 -7.729 5.320 -4.321 510 HG LEU 68 HG LEU 68 -5.437 6.144 -3.354 511 HD11 LEU 68 HD11 LEU 68 -7.584 6.284 -2.259 512 HD12 LEU 68 HD12 LEU 68 -7.539 4.550 -1.857 513 HD13 LEU 68 HD13 LEU 68 -6.383 5.666 -1.107 514 HD21 LEU 68 HD21 LEU 68 -5.436 3.263 -2.424 515 HD22 LEU 68 HD22 LEU 68 -4.268 3.967 -3.563 516 HD23 LEU 68 HD23 LEU 68 -4.354 4.567 -1.893 517 H GLY 69 H GLY 69 -9.118 3.061 -3.490 518 HA2 GLY 69 HA2 GLY 69 -10.963 3.912 -5.534 519 HA3 GLY 69 HA3 GLY 69 -11.008 2.139 -5.259 520 H ARG 70 H ARG 70 -13.148 3.891 -4.483 521 HA ARG 70 HA ARG 70 -12.827 4.111 -1.535 522 HB2 ARG 70 HB2 ARG 70 -15.230 4.862 -3.221 523 HB3 ARG 70 HB3 ARG 70 -14.863 5.360 -1.560 524 HG2 ARG 70 HG2 ARG 70 -12.693 6.399 -2.634 525 HG3 ARG 70 HG3 ARG 70 -13.573 6.256 -4.156 526 HD2 ARG 70 HD2 ARG 70 -15.416 7.656 -3.102 527 HD3 ARG 70 HD3 ARG 70 -14.304 7.933 -1.737 528 HE ARG 70 HE ARG 70 -13.053 8.443 -4.322 529 HH11 ARG 70 HH11 ARG 70 -15.076 9.994 -1.865 530 HH12 ARG 70 HH12 ARG 70 -14.585 11.587 -2.373 531 HH21 ARG 70 HH21 ARG 70 -12.507 10.436 -4.903 532 HH22 ARG 70 HH22 ARG 70 -13.144 11.842 -4.074 533 H THR 71 H THR 71 -14.007 2.731 -0.165 534 HA THR 71 HA THR 71 -14.862 0.316 -1.619 535 HB THR 71 HB THR 71 -14.769 -0.787 0.637 536 HG1 THR 71 HG1 THR 71 -15.176 1.206 1.813 537 HG21 THR 71 HG21 THR 71 -12.338 -0.713 0.884 538 HG22 THR 71 HG22 THR 71 -12.759 -0.720 -0.843 539 HG23 THR 71 HG23 THR 71 -12.253 0.795 -0.052 540 H THR 72 H THR 72 -16.779 -0.726 -1.421 541 HA THR 72 HA THR 72 -19.051 0.997 -0.836 542 HB THR 72 HB THR 72 -20.316 -1.213 -1.335 543 HG1 THR 72 HG1 THR 72 -17.938 -2.098 -2.532 544 HG21 THR 72 HG21 THR 72 -19.993 0.541 -3.031 545 HG22 THR 72 HG22 THR 72 -18.369 -0.094 -3.395 546 HG23 THR 72 HG23 THR 72 -19.807 -1.075 -3.750 547 H CYS 73 H CYS 73 -17.213 -1.208 1.093 548 HA CYS 73 HA CYS 73 -19.481 -1.535 2.994 549 HB2 CYS 73 HB2 CYS 73 -16.893 -2.956 2.520 550 HB3 CYS 73 HB3 CYS 73 -17.466 -2.853 4.182 551 H THR 74 H THR 74 -19.241 -1.068 5.191 552 HA THR 74 HA THR 74 -17.381 1.132 5.815 553 HB THR 74 HB THR 74 -18.680 1.488 7.798 554 HG1 THR 74 HG1 THR 74 -20.096 -0.065 8.569 555 HG21 THR 74 HG21 THR 74 -19.933 1.957 5.624 556 HG22 THR 74 HG22 THR 74 -20.838 0.454 5.994 557 HG23 THR 74 HG23 THR 74 -20.855 1.816 7.137 558 H LYS 75 H LYS 75 -16.555 0.922 8.092 559 HA LYS 75 HA LYS 75 -14.918 -1.371 8.426 560 HB2 LYS 75 HB2 LYS 75 -14.458 -0.335 10.643 561 HB3 LYS 75 HB3 LYS 75 -14.410 0.858 9.336 562 HG2 LYS 75 HG2 LYS 75 -16.025 2.103 10.346 563 HG3 LYS 75 HG3 LYS 75 -17.159 0.735 10.334 564 HD2 LYS 75 HD2 LYS 75 -16.879 1.417 12.626 565 HD3 LYS 75 HD3 LYS 75 -16.021 -0.123 12.429 566 HE2 LYS 75 HE2 LYS 75 -13.871 1.144 12.202 567 HE3 LYS 75 HE3 LYS 75 -14.759 2.654 12.498 568 HZ1 LYS 75 HZ1 LYS 75 -14.579 0.364 14.383 569 HZ2 LYS 75 HZ2 LYS 75 -13.756 1.787 14.525 570 HZ3 LYS 75 HZ3 LYS 75 -15.399 1.768 14.665 571 H THR 76 H THR 76 -18.156 -0.927 9.285 572 HA THR 76 HA THR 76 -18.119 -3.069 11.328 573 HB THR 76 HB THR 76 -20.512 -2.090 11.156 574 HG1 THR 76 HG1 THR 76 -20.494 0.112 10.866 575 HG21 THR 76 HG21 THR 76 -19.256 -2.181 13.273 576 HG22 THR 76 HG22 THR 76 -18.242 -0.828 12.723 577 HG23 THR 76 HG23 THR 76 -19.960 -0.559 13.091 578 H GLN 77 H GLN 77 -19.111 -2.370 8.300 579 HA GLN 77 HA GLN 77 -21.537 -3.709 7.955 580 HB2 GLN 77 HB2 GLN 77 -19.290 -3.032 6.130 581 HB3 GLN 77 HB3 GLN 77 -20.472 -4.201 5.538 582 HG2 GLN 77 HG2 GLN 77 -21.393 -1.631 6.779 583 HG3 GLN 77 HG3 GLN 77 -20.822 -1.652 5.103 584 HE21 GLN 77 HE21 GLN 77 -23.548 -1.594 6.794 585 HE22 GLN 77 HE22 GLN 77 -24.578 -2.542 5.750 586 HA PRO 78 HA PRO 78 -20.672 -7.966 8.406 587 HB2 PRO 78 HB2 PRO 78 -22.828 -9.086 7.197 588 HB3 PRO 78 HB3 PRO 78 -22.992 -8.078 8.671 589 HG2 PRO 78 HG2 PRO 78 -23.351 -7.270 5.790 590 HG3 PRO 78 HG3 PRO 78 -24.462 -7.019 7.170 591 HD2 PRO 78 HD2 PRO 78 -22.729 -5.082 6.323 592 HD3 PRO 78 HD3 PRO 78 -23.151 -5.287 8.052 593 H ASN 79 H ASN 79 -20.226 -6.516 5.400 594 HA ASN 79 HA ASN 79 -19.573 -9.141 4.130 595 HB2 ASN 79 HB2 ASN 79 -20.722 -6.628 2.876 596 HB3 ASN 79 HB3 ASN 79 -20.154 -8.030 1.963 597 HD21 ASN 79 HD21 ASN 79 -21.118 -10.165 2.619 598 HD22 ASN 79 HD22 ASN 79 -22.832 -10.145 2.979 599 H LEU 80 H LEU 80 -17.557 -7.681 5.624 600 HA LEU 80 HA LEU 80 -15.960 -6.098 3.870 601 HB2 LEU 80 HB2 LEU 80 -15.397 -7.555 6.412 602 HB3 LEU 80 HB3 LEU 80 -14.034 -7.089 5.404 603 HG LEU 80 HG LEU 80 -14.943 -4.725 5.415 604 HD11 LEU 80 HD11 LEU 80 -16.563 -5.855 7.714 605 HD12 LEU 80 HD12 LEU 80 -16.271 -4.129 7.424 606 HD13 LEU 80 HD13 LEU 80 -17.181 -5.076 6.238 607 HD21 LEU 80 HD21 LEU 80 -13.883 -4.284 7.603 608 HD22 LEU 80 HD22 LEU 80 -13.988 -6.014 8.002 609 HD23 LEU 80 HD23 LEU 80 -12.970 -5.470 6.644 610 H ASP 81 H ASP 81 -16.416 -9.530 3.684 611 HA ASP 81 HA ASP 81 -13.858 -9.873 2.284 612 HB2 ASP 81 HB2 ASP 81 -16.302 -11.649 2.587 613 HB3 ASP 81 HB3 ASP 81 -14.827 -12.126 1.727 614 H ASN 82 H ASN 82 -17.279 -9.490 1.578 615 HA ASN 82 HA ASN 82 -16.953 -10.020 -1.260 616 HB2 ASN 82 HB2 ASN 82 -19.352 -8.797 0.127 617 HB3 ASN 82 HB3 ASN 82 -19.331 -9.685 -1.399 618 HD21 ASN 82 HD21 ASN 82 -18.474 -11.999 -1.182 619 HD22 ASN 82 HD22 ASN 82 -19.009 -12.876 0.231 620 H CYS 83 H CYS 83 -17.431 -7.034 0.674 621 HA CYS 83 HA CYS 83 -17.973 -5.390 -1.591 622 HB2 CYS 83 HB2 CYS 83 -16.760 -4.744 1.098 623 HB3 CYS 83 HB3 CYS 83 -17.103 -3.522 -0.129 624 HA PRO 84 HA PRO 84 -13.537 -4.213 -2.086 625 HB2 PRO 84 HB2 PRO 84 -11.440 -5.552 -0.953 626 HB3 PRO 84 HB3 PRO 84 -12.258 -4.155 -0.179 627 HG2 PRO 84 HG2 PRO 84 -12.703 -7.079 0.266 628 HG3 PRO 84 HG3 PRO 84 -12.448 -5.774 1.474 629 HD2 PRO 84 HD2 PRO 84 -14.901 -6.679 0.860 630 HD3 PRO 84 HD3 PRO 84 -14.593 -4.942 1.203 631 H PHE 85 H PHE 85 -14.305 -7.671 -1.781 632 HA PHE 85 HA PHE 85 -12.597 -8.594 -3.906 633 HB2 PHE 85 HB2 PHE 85 -13.745 -10.130 -2.374 634 HB3 PHE 85 HB3 PHE 85 -15.314 -9.578 -2.968 635 HD1 PHE 85 HD1 PHE 85 -12.237 -11.453 -3.879 636 HD2 PHE 85 HD2 PHE 85 -16.263 -10.428 -4.994 637 HE1 PHE 85 HE1 PHE 85 -12.181 -13.194 -5.661 638 HE2 PHE 85 HE2 PHE 85 -16.220 -12.165 -6.778 639 HZ PHE 85 HZ PHE 85 -14.173 -13.547 -7.123 640 H HIS 86 H HIS 86 -15.866 -7.138 -3.818 641 HA HIS 86 HA HIS 86 -16.154 -7.339 -6.739 642 HB2 HIS 86 HB2 HIS 86 -18.078 -7.481 -5.178 643 HB3 HIS 86 HB3 HIS 86 -17.768 -5.819 -4.661 644 HD1 HIS 86 HD1 HIS 86 -19.061 -7.792 -7.631 645 HD2 HIS 86 HD2 HIS 86 -18.643 -3.844 -6.386 646 HE1 HIS 86 HE1 HIS 86 -20.375 -6.377 -9.258 647 H ASP 87 H ASP 87 -15.167 -4.877 -4.411 648 HA ASP 87 HA ASP 87 -15.556 -2.567 -6.019 649 HB2 ASP 87 HB2 ASP 87 -13.581 -3.120 -3.768 650 HB3 ASP 87 HB3 ASP 87 -13.792 -1.530 -4.513 651 H GLN 88 H GLN 88 -12.704 -4.710 -5.675 652 HA GLN 88 HA GLN 88 -10.933 -3.122 -7.236 653 HB2 GLN 88 HB2 GLN 88 -11.086 -5.994 -6.441 654 HB3 GLN 88 HB3 GLN 88 -9.981 -5.561 -7.757 655 HG2 GLN 88 HG2 GLN 88 -8.749 -4.145 -6.436 656 HG3 GLN 88 HG3 GLN 88 -9.996 -4.070 -5.181 657 HE21 GLN 88 HE21 GLN 88 -10.501 -6.143 -4.044 658 HE22 GLN 88 HE22 GLN 88 -9.149 -7.209 -3.714 659 HA PRO 89 HA PRO 89 -12.085 -5.281 -11.135 660 HB2 PRO 89 HB2 PRO 89 -14.363 -6.802 -11.427 661 HB3 PRO 89 HB3 PRO 89 -12.796 -7.500 -10.902 662 HG2 PRO 89 HG2 PRO 89 -15.093 -6.550 -9.170 663 HG3 PRO 89 HG3 PRO 89 -14.252 -8.131 -9.142 664 HD2 PRO 89 HD2 PRO 89 -13.581 -6.194 -7.458 665 HD3 PRO 89 HD3 PRO 89 -12.326 -7.218 -8.219 666 H HIS 90 H HIS 90 -14.595 -3.955 -9.024 667 HA HIS 90 HA HIS 90 -16.327 -2.974 -11.102 668 HB2 HIS 90 HB2 HIS 90 -16.749 -3.077 -8.549 669 HB3 HIS 90 HB3 HIS 90 -15.876 -1.546 -8.481 670 HD1 HIS 90 HD1 HIS 90 -19.215 -2.903 -8.925 671 HD2 HIS 90 HD2 HIS 90 -17.163 0.446 -10.286 672 HE1 HIS 90 HE1 HIS 90 -20.957 -1.266 -9.734 673 H LEU 91 H LEU 91 -13.255 -1.928 -9.731 674 HA LEU 91 HA LEU 91 -13.336 0.738 -10.851 675 HB2 LEU 91 HB2 LEU 91 -11.043 -1.012 -9.952 676 HB3 LEU 91 HB3 LEU 91 -10.869 0.631 -10.489 677 HG LEU 91 HG LEU 91 -11.725 -0.415 -7.870 678 HD11 LEU 91 HD11 LEU 91 -10.280 2.064 -8.877 679 HD12 LEU 91 HD12 LEU 91 -10.368 1.507 -7.198 680 HD13 LEU 91 HD13 LEU 91 -9.519 0.526 -8.394 681 HD21 LEU 91 HD21 LEU 91 -13.780 0.806 -8.401 682 HD22 LEU 91 HD22 LEU 91 -12.813 1.723 -7.237 683 HD23 LEU 91 HD23 LEU 91 -12.829 2.215 -8.947 684 H LYS 92 H LYS 92 -14.009 0.355 -13.028 685 HA LYS 92 HA LYS 92 -12.113 -0.929 -14.879 686 HB2 LYS 92 HB2 LYS 92 -14.650 0.670 -15.153 687 HB3 LYS 92 HB3 LYS 92 -13.573 0.520 -16.549 688 HG2 LYS 92 HG2 LYS 92 -14.088 -1.643 -16.911 689 HG3 LYS 92 HG3 LYS 92 -14.081 -2.050 -15.191 690 HD2 LYS 92 HD2 LYS 92 -16.344 -0.455 -16.419 691 HD3 LYS 92 HD3 LYS 92 -16.316 -2.226 -16.502 692 HE2 LYS 92 HE2 LYS 92 -16.122 -0.638 -13.911 693 HE3 LYS 92 HE3 LYS 92 -17.630 -1.302 -14.562 694 HZ1 LYS 92 HZ1 LYS 92 -16.593 -3.522 -14.422 695 HZ2 LYS 92 HZ2 LYS 92 -15.255 -2.867 -13.709 696 HZ3 LYS 92 HZ3 LYS 92 -16.712 -2.795 -12.948 697 H ARG 93 H ARG 93 -12.819 2.271 -13.569 698 HA ARG 93 HA ARG 93 -10.424 3.374 -14.968 699 HB2 ARG 93 HB2 ARG 93 -11.045 5.526 -14.003 700 HB3 ARG 93 HB3 ARG 93 -12.428 4.868 -14.878 701 HG2 ARG 93 HG2 ARG 93 -13.516 4.240 -12.773 702 HG3 ARG 93 HG3 ARG 93 -12.089 4.748 -11.854 703 HD2 ARG 93 HD2 ARG 93 -12.386 7.067 -12.651 704 HD3 ARG 93 HD3 ARG 93 -13.848 6.566 -13.523 705 HE ARG 93 HE ARG 93 -15.017 6.456 -11.514 706 HH11 ARG 93 HH11 ARG 93 -11.586 6.930 -10.731 707 HH12 ARG 93 HH12 ARG 93 -11.949 7.207 -9.042 708 HH21 ARG 93 HH21 ARG 93 -15.335 6.852 -9.342 709 HH22 ARG 93 HH22 ARG 93 -13.961 7.159 -8.291 710 H LYS 94 H LYS 94 -8.525 3.567 -13.741 711 HA LYS 94 HA LYS 94 -8.731 2.703 -10.882 712 HB2 LYS 94 HB2 LYS 94 -6.737 1.817 -12.994 713 HB3 LYS 94 HB3 LYS 94 -6.521 1.563 -11.254 714 HG2 LYS 94 HG2 LYS 94 -8.616 0.294 -11.171 715 HG3 LYS 94 HG3 LYS 94 -8.821 0.491 -12.920 716 HD2 LYS 94 HD2 LYS 94 -6.771 -0.748 -13.348 717 HD3 LYS 94 HD3 LYS 94 -6.439 -0.850 -11.615 718 HE2 LYS 94 HE2 LYS 94 -8.802 -2.106 -13.063 719 HE3 LYS 94 HE3 LYS 94 -7.382 -2.961 -12.417 720 HZ1 LYS 94 HZ1 LYS 94 -9.128 -3.168 -10.841 721 HZ2 LYS 94 HZ2 LYS 94 -8.074 -2.071 -10.185 722 HZ3 LYS 94 HZ3 LYS 94 -9.484 -1.564 -10.876 723 H ALA 95 H ALA 95 -7.253 3.615 -9.487 724 HA ALA 95 HA ALA 95 -5.707 5.928 -10.572 725 HB1 ALA 95 HB1 ALA 95 -7.364 5.751 -8.032 726 HB2 ALA 95 HB2 ALA 95 -6.359 7.131 -8.516 727 HB3 ALA 95 HB3 ALA 95 -7.783 6.690 -9.480 728 H PHE 96 H PHE 96 -3.642 6.039 -9.748 729 HA PHE 96 HA PHE 96 -2.996 3.983 -7.687 730 HB2 PHE 96 HB2 PHE 96 -1.312 4.816 -10.060 731 HB3 PHE 96 HB3 PHE 96 -0.878 3.620 -8.830 732 HD1 PHE 96 HD1 PHE 96 -2.097 1.452 -8.697 733 HD2 PHE 96 HD2 PHE 96 -2.839 4.272 -11.862 734 HE1 PHE 96 HE1 PHE 96 -3.226 -0.337 -10.019 735 HE2 PHE 96 HE2 PHE 96 -3.968 2.493 -13.189 736 HZ PHE 96 HZ PHE 96 -4.160 0.181 -12.267 737 H CYS 97 H CYS 97 -1.768 4.508 -6.072 738 HA CYS 97 HA CYS 97 -0.543 7.209 -5.871 739 HB2 CYS 97 HB2 CYS 97 -0.799 5.124 -3.696 740 HB3 CYS 97 HB3 CYS 97 -0.335 6.803 -3.510 741 H SER 98 H SER 98 1.524 7.418 -4.940 742 HA SER 98 HA SER 98 3.228 4.961 -4.887 743 HB2 SER 98 HB2 SER 98 3.942 7.692 -6.034 744 HB3 SER 98 HB3 SER 98 5.128 6.426 -5.650 745 HG SER 98 HG SER 98 3.983 5.037 -7.093 746 H PHE 99 H PHE 99 3.858 4.657 -2.869 747 HA PHE 99 HA PHE 99 4.188 7.077 -1.131 748 HB2 PHE 99 HB2 PHE 99 3.638 4.189 -0.371 749 HB3 PHE 99 HB3 PHE 99 3.831 5.538 0.751 750 HD1 PHE 99 HD1 PHE 99 2.206 7.571 0.364 751 HD2 PHE 99 HD2 PHE 99 1.486 3.582 -1.065 752 HE1 PHE 99 HE1 PHE 99 -0.217 8.079 0.194 753 HE2 PHE 99 HE2 PHE 99 -0.955 4.067 -1.192 754 HZ PHE 99 HZ PHE 99 -1.812 6.323 -0.568 755 H GLN 100 H GLN 100 6.096 7.434 -0.195 756 HA GLN 100 HA GLN 100 8.149 5.269 -0.357 757 HB2 GLN 100 HB2 GLN 100 8.535 6.990 -2.131 758 HB3 GLN 100 HB3 GLN 100 8.653 8.196 -0.851 759 HG2 GLN 100 HG2 GLN 100 10.599 7.035 0.098 760 HG3 GLN 100 HG3 GLN 100 10.513 5.851 -1.215 761 HE21 GLN 100 HE21 GLN 100 12.678 7.701 -0.518 762 HE22 GLN 100 HE22 GLN 100 12.918 8.712 -1.928 763 H ILE 101 H ILE 101 8.714 4.723 1.621 764 HA ILE 101 HA ILE 101 8.524 6.820 3.757 765 HB ILE 101 HB ILE 101 8.678 3.785 4.029 766 HG12 ILE 101 HG12 ILE 101 6.283 5.518 4.669 767 HG13 ILE 101 HG13 ILE 101 6.496 4.788 3.077 768 HG21 ILE 101 HG21 ILE 101 8.227 5.970 6.115 769 HG22 ILE 101 HG22 ILE 101 8.152 4.224 6.427 770 HG23 ILE 101 HG23 ILE 101 9.686 4.963 5.942 771 HD11 ILE 101 HD11 ILE 101 6.595 2.538 4.153 772 HD12 ILE 101 HD12 ILE 101 6.203 3.310 5.709 773 HD13 ILE 101 HD13 ILE 101 5.042 3.377 4.365 774 H TYR 102 H TYR 102 10.472 7.680 4.305 775 HA TYR 102 HA TYR 102 12.899 6.165 3.517 776 HB2 TYR 102 HB2 TYR 102 12.951 8.543 3.016 777 HB3 TYR 102 HB3 TYR 102 12.470 8.944 4.674 778 HD1 TYR 102 HD1 TYR 102 14.165 9.657 6.117 779 HD2 TYR 102 HD2 TYR 102 15.169 6.928 2.948 780 HE1 TYR 102 HE1 TYR 102 16.558 9.713 6.811 781 HE2 TYR 102 HE2 TYR 102 17.553 6.980 3.662 782 HH TYR 102 HH TYR 102 19.087 7.846 5.141 783 H ALA 103 H ALA 103 13.825 4.843 4.994 784 HA ALA 103 HA ALA 103 13.024 5.160 7.818 785 HB1 ALA 103 HB1 ALA 103 13.945 2.942 8.095 786 HB2 ALA 103 HB2 ALA 103 12.617 2.975 6.904 787 HB3 ALA 103 HB3 ALA 103 14.311 2.887 6.354 788 H VAL 104 H VAL 104 14.487 5.705 9.275 789 HA VAL 104 HA VAL 104 17.024 6.738 8.081 790 HB VAL 104 HB VAL 104 16.194 7.293 10.916 791 HG11 VAL 104 HG11 VAL 104 16.882 9.156 8.774 792 HG12 VAL 104 HG12 VAL 104 16.789 9.463 10.513 793 HG13 VAL 104 HG13 VAL 104 18.037 8.368 9.876 794 HG21 VAL 104 HG21 VAL 104 14.113 7.174 10.135 795 HG22 VAL 104 HG22 VAL 104 14.474 8.896 10.293 796 HG23 VAL 104 HG23 VAL 104 14.458 8.143 8.674 797 HA PRO 105 HA PRO 105 17.330 3.154 10.327 798 HB2 PRO 105 HB2 PRO 105 19.775 1.960 9.725 799 HB3 PRO 105 HB3 PRO 105 18.389 1.965 8.583 800 HG2 PRO 105 HG2 PRO 105 20.733 3.863 8.715 801 HG3 PRO 105 HG3 PRO 105 20.090 2.966 7.300 802 HD2 PRO 105 HD2 PRO 105 19.410 5.561 7.810 803 HD3 PRO 105 HD3 PRO 105 18.247 4.396 7.088 804 H TRP 106 H TRP 106 19.696 5.622 10.466 805 HA TRP 106 HA TRP 106 21.445 4.853 12.513 806 HB2 TRP 106 HB2 TRP 106 21.561 6.860 10.997 807 HB3 TRP 106 HB3 TRP 106 20.304 7.622 11.981 808 HD1 TRP 106 HD1 TRP 106 21.108 8.903 14.094 809 HE1 TRP 106 HE1 TRP 106 23.314 9.303 15.290 810 HE3 TRP 106 HE3 TRP 106 23.929 5.505 11.514 811 HZ2 TRP 106 HZ2 TRP 106 25.978 8.295 15.150 812 HZ3 TRP 106 HZ3 TRP 106 26.352 5.266 12.102 813 HH2 TRP 106 HH2 TRP 106 27.356 6.659 13.912 814 H GLN 107 H GLN 107 18.100 5.944 12.761 815 HA GLN 107 HA GLN 107 18.395 5.945 15.743 816 HB2 GLN 107 HB2 GLN 107 16.466 7.427 13.963 817 HB3 GLN 107 HB3 GLN 107 16.431 7.467 15.722 818 HG2 GLN 107 HG2 GLN 107 18.580 8.597 15.769 819 HG3 GLN 107 HG3 GLN 107 18.752 8.425 14.015 820 HE21 GLN 107 HE21 GLN 107 18.079 10.624 16.300 821 HE22 GLN 107 HE22 GLN 107 17.018 11.677 15.396 822 H GLY 108 H GLY 108 17.239 4.084 13.203 823 HA2 GLY 108 HA2 GLY 108 15.853 2.227 13.242 824 HA3 GLY 108 HA3 GLY 108 15.592 2.490 14.977 825 H THR 109 H THR 109 15.070 5.180 12.973 826 HA THR 109 HA THR 109 12.141 5.074 13.454 827 HB THR 109 HB THR 109 12.448 7.534 12.649 828 HG1 THR 109 HG1 THR 109 14.598 8.280 13.026 829 HG21 THR 109 HG21 THR 109 13.180 8.280 14.896 830 HG22 THR 109 HG22 THR 109 12.027 6.934 15.028 831 HG23 THR 109 HG23 THR 109 13.769 6.640 15.256 832 H MET 110 H MET 110 10.788 6.048 11.683 833 HA MET 110 HA MET 110 12.181 6.267 9.102 834 HB2 MET 110 HB2 MET 110 10.645 4.762 7.925 835 HB3 MET 110 HB3 MET 110 11.333 3.844 9.265 836 HG2 MET 110 HG2 MET 110 9.248 4.246 10.568 837 HG3 MET 110 HG3 MET 110 8.574 5.094 9.165 838 HE1 MET 110 HE1 MET 110 6.553 3.815 8.509 839 HE2 MET 110 HE2 MET 110 6.375 2.052 8.642 840 HE3 MET 110 HE3 MET 110 6.677 3.032 10.098 841 H THR 111 H THR 111 10.752 7.473 7.576 842 HA THR 111 HA THR 111 8.377 8.811 8.779 843 HB THR 111 HB THR 111 10.754 10.234 7.476 844 HG1 THR 111 HG1 THR 111 10.903 11.149 9.656 845 HG21 THR 111 HG21 THR 111 9.594 12.285 8.284 846 HG22 THR 111 HG22 THR 111 8.708 11.409 7.021 847 HG23 THR 111 HG23 THR 111 8.198 11.274 8.724 848 H LEU 112 H LEU 112 6.791 9.227 7.161 849 HA LEU 112 HA LEU 112 7.168 8.165 4.541 850 HB2 LEU 112 HB2 LEU 112 5.003 8.535 5.809 851 HB3 LEU 112 HB3 LEU 112 5.170 10.251 5.483 852 HG LEU 112 HG LEU 112 4.986 9.779 3.042 853 HD11 LEU 112 HD11 LEU 112 4.535 6.946 4.045 854 HD12 LEU 112 HD12 LEU 112 4.189 7.500 2.385 855 HD13 LEU 112 HD13 LEU 112 5.853 7.503 2.992 856 HD21 LEU 112 HD21 LEU 112 2.997 10.366 4.330 857 HD22 LEU 112 HD22 LEU 112 2.570 9.118 3.141 858 HD23 LEU 112 HD23 LEU 112 2.789 8.679 4.848 859 H SER 113 H SER 113 8.494 8.990 3.062 860 HA SER 113 HA SER 113 9.313 11.818 3.199 861 HB2 SER 113 HB2 SER 113 10.994 10.054 2.837 862 HB3 SER 113 HB3 SER 113 10.145 9.532 1.370 863 HG SER 113 HG SER 113 10.522 12.109 1.093 864 H LYS 114 H LYS 114 7.252 9.705 1.252 865 HA LYS 114 HA LYS 114 6.275 12.092 -0.199 866 HB2 LYS 114 HB2 LYS 114 7.909 11.567 -1.786 867 HB3 LYS 114 HB3 LYS 114 7.838 9.861 -1.429 868 HG2 LYS 114 HG2 LYS 114 5.461 9.940 -2.573 869 HG3 LYS 114 HG3 LYS 114 6.070 11.442 -3.287 870 HD2 LYS 114 HD2 LYS 114 7.541 8.780 -3.369 871 HD3 LYS 114 HD3 LYS 114 6.416 9.298 -4.633 872 HE2 LYS 114 HE2 LYS 114 7.799 11.044 -5.344 873 HE3 LYS 114 HE3 LYS 114 8.709 11.086 -3.817 874 HZ1 LYS 114 HZ1 LYS 114 8.827 8.853 -5.757 875 HZ2 LYS 114 HZ2 LYS 114 9.965 10.039 -5.618 876 HZ3 LYS 114 HZ3 LYS 114 9.717 8.990 -4.368 877 H SER 115 H SER 115 4.186 11.957 -0.625 878 HA SER 115 HA SER 115 2.869 9.317 -0.890 879 HB2 SER 115 HB2 SER 115 0.964 10.880 0.378 880 HB3 SER 115 HB3 SER 115 1.922 9.611 1.170 881 HG SER 115 HG SER 115 2.047 11.639 2.264 882 H THR 116 H THR 116 2.333 9.498 -3.007 883 HA THR 116 HA THR 116 0.943 12.033 -3.799 884 HB THR 116 HB THR 116 3.316 11.991 -4.727 885 HG1 THR 116 HG1 THR 116 2.581 12.457 -6.863 886 HG21 THR 116 HG21 THR 116 2.296 9.657 -6.364 887 HG22 THR 116 HG22 THR 116 3.862 10.487 -6.534 888 HG23 THR 116 HG23 THR 116 3.505 9.561 -5.064 889 H CYS 117 H CYS 117 -0.772 11.673 -5.351 890 HA CYS 117 HA CYS 117 -1.274 8.921 -6.157 891 HB2 CYS 117 HB2 CYS 117 -2.114 9.304 -3.701 892 HB3 CYS 117 HB3 CYS 117 -3.454 10.141 -4.501 893 H GLN 118 H GLN 118 -3.589 8.722 -6.969 894 HA GLN 118 HA GLN 118 -4.205 10.992 -8.811 895 HB2 GLN 118 HB2 GLN 118 -4.217 7.953 -9.040 896 HB3 GLN 118 HB3 GLN 118 -5.138 8.984 -10.173 897 HG2 GLN 118 HG2 GLN 118 -3.013 10.135 -10.785 898 HG3 GLN 118 HG3 GLN 118 -2.135 9.024 -9.724 899 HE21 GLN 118 HE21 GLN 118 -2.207 9.536 -12.730 900 HE22 GLN 118 HE22 GLN 118 -2.404 7.939 -13.410 901 H ASP 119 H ASP 119 -6.521 11.346 -9.095 902 HA ASP 119 HA ASP 119 -8.065 10.996 -6.707 903 HB2 ASP 119 HB2 ASP 119 -8.315 12.846 -8.429 904 HB3 ASP 119 HB3 ASP 119 -9.090 11.654 -9.486 905 H ALA 120 H ALA 120 -9.665 9.584 -6.171 906 HA ALA 120 HA ALA 120 -10.248 7.375 -8.080 907 HB1 ALA 120 HB1 ALA 120 -9.859 5.727 -6.378 908 HB2 ALA 120 HB2 ALA 120 -8.429 6.786 -6.382 909 HB3 ALA 120 HB3 ALA 120 -9.667 6.974 -5.122 Start of MODEL 17 1 H1 SER 1 H1 SER 1 1.519 -16.288 -0.802 2 H2 SER 1 H2 SER 1 0.010 -16.682 -1.228 3 H3 SER 1 H3 SER 1 1.165 -17.813 -1.205 4 HA SER 1 HA SER 1 0.115 -16.397 1.148 5 HB2 SER 1 HB2 SER 1 -0.147 -19.329 0.395 6 HB3 SER 1 HB3 SER 1 -0.896 -18.504 1.780 7 HG SER 1 HG SER 1 -2.392 -18.656 0.104 8 H SER 2 H SER 2 1.599 -16.158 2.659 9 HA SER 2 HA SER 2 3.500 -16.426 3.877 10 HB2 SER 2 HB2 SER 2 2.775 -19.366 3.736 11 HB3 SER 2 HB3 SER 2 3.676 -18.537 5.027 12 HG SER 2 HG SER 2 1.498 -18.756 5.602 13 HA PRO 3 HA PRO 3 6.267 -18.378 0.632 14 HB2 PRO 3 HB2 PRO 3 7.433 -16.204 -0.490 15 HB3 PRO 3 HB3 PRO 3 5.878 -16.870 -1.115 16 HG2 PRO 3 HG2 PRO 3 6.360 -14.556 0.744 17 HG3 PRO 3 HG3 PRO 3 5.310 -14.637 -0.706 18 HD2 PRO 3 HD2 PRO 3 4.334 -14.939 1.804 19 HD3 PRO 3 HD3 PRO 3 3.671 -15.853 0.408 20 H GLY 4 H GLY 4 6.521 -15.878 3.035 21 HA2 GLY 4 HA2 GLY 4 8.239 -15.544 4.564 22 HA3 GLY 4 HA3 GLY 4 9.171 -16.807 3.735 23 H LYS 5 H LYS 5 11.080 -15.755 3.606 24 HA LYS 5 HA LYS 5 11.251 -13.575 1.595 25 HB2 LYS 5 HB2 LYS 5 11.151 -12.459 3.834 26 HB3 LYS 5 HB3 LYS 5 12.460 -13.506 4.398 27 HG2 LYS 5 HG2 LYS 5 13.929 -12.517 2.637 28 HG3 LYS 5 HG3 LYS 5 12.646 -11.371 2.260 29 HD2 LYS 5 HD2 LYS 5 12.739 -10.524 4.564 30 HD3 LYS 5 HD3 LYS 5 13.993 -11.731 4.947 31 HE2 LYS 5 HE2 LYS 5 15.397 -10.760 3.102 32 HE3 LYS 5 HE3 LYS 5 14.193 -9.461 2.936 33 HZ1 LYS 5 HZ1 LYS 5 16.013 -8.806 4.375 34 HZ2 LYS 5 HZ2 LYS 5 14.619 -8.888 5.257 35 HZ3 LYS 5 HZ3 LYS 5 15.748 -10.085 5.381 36 HA PRO 6 HA PRO 6 14.544 -16.444 0.761 37 HB2 PRO 6 HB2 PRO 6 16.225 -14.981 -0.848 38 HB3 PRO 6 HB3 PRO 6 14.672 -15.660 -1.435 39 HG2 PRO 6 HG2 PRO 6 15.245 -12.878 -0.413 40 HG3 PRO 6 HG3 PRO 6 14.436 -13.373 -1.937 41 HD2 PRO 6 HD2 PRO 6 12.997 -12.677 0.223 42 HD3 PRO 6 HD3 PRO 6 12.485 -14.057 -0.809 43 HA PRO 7 HA PRO 7 17.239 -15.143 3.983 44 HB2 PRO 7 HB2 PRO 7 19.186 -17.026 3.966 45 HB3 PRO 7 HB3 PRO 7 17.481 -17.440 4.339 46 HG2 PRO 7 HG2 PRO 7 18.938 -17.651 1.710 47 HG3 PRO 7 HG3 PRO 7 18.009 -18.912 2.585 48 HD2 PRO 7 HD2 PRO 7 16.893 -17.443 0.598 49 HD3 PRO 7 HD3 PRO 7 15.947 -17.934 2.048 50 H ARG 8 H ARG 8 18.226 -14.706 0.787 51 HA ARG 8 HA ARG 8 21.023 -14.212 1.169 52 HB2 ARG 8 HB2 ARG 8 20.947 -13.029 -0.960 53 HB3 ARG 8 HB3 ARG 8 20.074 -14.557 -1.069 54 HG2 ARG 8 HG2 ARG 8 18.061 -13.543 -1.478 55 HG3 ARG 8 HG3 ARG 8 18.408 -12.164 -0.427 56 HD2 ARG 8 HD2 ARG 8 20.015 -11.297 -2.109 57 HD3 ARG 8 HD3 ARG 8 19.549 -12.624 -3.199 58 HE ARG 8 HE ARG 8 17.170 -11.341 -2.454 59 HH11 ARG 8 HH11 ARG 8 20.106 -10.401 -4.173 60 HH12 ARG 8 HH12 ARG 8 19.278 -9.195 -5.120 61 HH21 ARG 8 HH21 ARG 8 16.176 -9.786 -3.707 62 HH22 ARG 8 HH22 ARG 8 17.097 -8.858 -4.858 63 H LEU 9 H LEU 9 22.183 -12.323 1.479 64 HA LEU 9 HA LEU 9 20.664 -10.110 2.768 65 HB2 LEU 9 HB2 LEU 9 23.607 -10.891 2.688 66 HB3 LEU 9 HB3 LEU 9 23.089 -9.284 3.174 67 HG LEU 9 HG LEU 9 21.788 -10.297 5.053 68 HD11 LEU 9 HD11 LEU 9 23.273 -12.839 4.258 69 HD12 LEU 9 HD12 LEU 9 22.445 -12.584 5.810 70 HD13 LEU 9 HD13 LEU 9 21.508 -12.607 4.308 71 HD21 LEU 9 HD21 LEU 9 24.017 -9.294 5.334 72 HD22 LEU 9 HD22 LEU 9 23.796 -10.669 6.435 73 HD23 LEU 9 HD23 LEU 9 24.780 -10.859 4.966 74 H VAL 10 H VAL 10 20.912 -8.011 2.133 75 HA VAL 10 HA VAL 10 21.843 -7.676 -0.652 76 HB VAL 10 HB VAL 10 19.092 -6.651 0.034 77 HG11 VAL 10 HG11 VAL 10 20.088 -6.089 -2.053 78 HG12 VAL 10 HG12 VAL 10 20.427 -7.809 -2.384 79 HG13 VAL 10 HG13 VAL 10 18.754 -7.219 -2.346 80 HG21 VAL 10 HG21 VAL 10 18.004 -8.775 -0.773 81 HG22 VAL 10 HG22 VAL 10 19.578 -9.588 -0.654 82 HG23 VAL 10 HG23 VAL 10 18.784 -8.951 0.805 83 H GLY 11 H GLY 11 22.171 -5.470 -1.178 84 HA2 GLY 11 HA2 GLY 11 21.624 -3.458 0.947 85 HA3 GLY 11 HA3 GLY 11 23.255 -3.577 0.210 86 H GLY 12 H GLY 12 21.600 -1.219 -0.201 87 HA2 GLY 12 HA2 GLY 12 21.012 0.055 -2.070 88 HA3 GLY 12 HA3 GLY 12 21.429 -1.325 -3.112 89 HA PRO 13 HA PRO 13 16.880 -1.151 -2.724 90 HB2 PRO 13 HB2 PRO 13 16.060 -1.177 -5.289 91 HB3 PRO 13 HB3 PRO 13 16.655 0.324 -4.504 92 HG2 PRO 13 HG2 PRO 13 18.144 -1.596 -6.298 93 HG3 PRO 13 HG3 PRO 13 18.061 0.191 -6.389 94 HD2 PRO 13 HD2 PRO 13 20.133 -1.172 -5.189 95 HD3 PRO 13 HD3 PRO 13 19.602 0.462 -4.662 96 H MET 14 H MET 14 15.428 -2.831 -2.678 97 HA MET 14 HA MET 14 15.814 -5.149 -4.462 98 HB2 MET 14 HB2 MET 14 15.749 -6.791 -2.669 99 HB3 MET 14 HB3 MET 14 17.172 -5.767 -2.497 100 HG2 MET 14 HG2 MET 14 16.305 -4.650 -0.606 101 HG3 MET 14 HG3 MET 14 14.657 -5.189 -0.919 102 HE1 MET 14 HE1 MET 14 14.582 -8.244 -1.361 103 HE2 MET 14 HE2 MET 14 14.476 -8.842 0.310 104 HE3 MET 14 HE3 MET 14 13.565 -7.396 -0.181 105 H ASP 15 H ASP 15 13.821 -6.093 -4.985 106 HA ASP 15 HA ASP 15 11.445 -4.873 -3.750 107 HB2 ASP 15 HB2 ASP 15 11.886 -6.753 -6.061 108 HB3 ASP 15 HB3 ASP 15 10.296 -6.645 -5.286 109 H ALA 16 H ALA 16 10.077 -5.919 -2.334 110 HA ALA 16 HA ALA 16 11.051 -8.519 -1.180 111 HB1 ALA 16 HB1 ALA 16 9.809 -7.549 0.846 112 HB2 ALA 16 HB2 ALA 16 11.404 -6.874 0.434 113 HB3 ALA 16 HB3 ALA 16 9.918 -5.995 -0.005 114 H SER 17 H SER 17 9.320 -9.720 -0.195 115 HA SER 17 HA SER 17 7.155 -10.076 -2.114 116 HB2 SER 17 HB2 SER 17 7.294 -11.166 0.728 117 HB3 SER 17 HB3 SER 17 6.380 -11.839 -0.631 118 HG SER 17 HG SER 17 8.552 -12.774 -0.009 119 H VAL 18 H VAL 18 4.905 -9.397 -1.853 120 HA VAL 18 HA VAL 18 4.483 -7.087 -0.126 121 HB VAL 18 HB VAL 18 2.187 -7.125 -0.935 122 HG11 VAL 18 HG11 VAL 18 3.941 -8.146 -3.210 123 HG12 VAL 18 HG12 VAL 18 2.523 -7.084 -3.333 124 HG13 VAL 18 HG13 VAL 18 4.008 -6.492 -2.558 125 HG21 VAL 18 HG21 VAL 18 1.629 -9.506 -0.643 126 HG22 VAL 18 HG22 VAL 18 1.281 -9.011 -2.307 127 HG23 VAL 18 HG23 VAL 18 2.740 -9.961 -1.957 128 H GLU 19 H GLU 19 4.432 -10.438 0.283 129 HA GLU 19 HA GLU 19 2.755 -10.372 2.690 130 HB2 GLU 19 HB2 GLU 19 4.259 -12.570 1.249 131 HB3 GLU 19 HB3 GLU 19 3.274 -12.809 2.706 132 HG2 GLU 19 HG2 GLU 19 1.331 -11.796 1.391 133 HG3 GLU 19 HG3 GLU 19 2.354 -11.933 -0.049 134 H GLU 20 H GLU 20 6.014 -9.663 1.889 135 HA GLU 20 HA GLU 20 7.227 -10.670 4.246 136 HB2 GLU 20 HB2 GLU 20 8.012 -8.456 2.414 137 HB3 GLU 20 HB3 GLU 20 8.657 -8.449 4.060 138 HG2 GLU 20 HG2 GLU 20 9.180 -10.614 3.911 139 HG3 GLU 20 HG3 GLU 20 8.667 -10.676 2.184 140 H GLU 21 H GLU 21 7.703 -10.046 6.162 141 HA GLU 21 HA GLU 21 5.691 -8.445 7.038 142 HB2 GLU 21 HB2 GLU 21 8.029 -9.573 8.491 143 HB3 GLU 21 HB3 GLU 21 6.822 -8.574 9.324 144 HG2 GLU 21 HG2 GLU 21 5.034 -10.110 8.630 145 HG3 GLU 21 HG3 GLU 21 6.224 -11.119 7.786 146 H GLY 22 H GLY 22 8.917 -7.822 6.159 147 HA2 GLY 22 HA2 GLY 22 9.146 -5.188 7.294 148 HA3 GLY 22 HA3 GLY 22 10.087 -5.830 5.931 149 H VAL 23 H VAL 23 7.465 -6.518 4.467 150 HA VAL 23 HA VAL 23 7.035 -3.835 3.359 151 HB VAL 23 HB VAL 23 6.054 -6.618 2.611 152 HG11 VAL 23 HG11 VAL 23 4.254 -5.337 1.993 153 HG12 VAL 23 HG12 VAL 23 5.271 -3.947 1.512 154 HG13 VAL 23 HG13 VAL 23 5.228 -5.421 0.529 155 HG21 VAL 23 HG21 VAL 23 8.324 -6.174 2.038 156 HG22 VAL 23 HG22 VAL 23 7.354 -6.131 0.561 157 HG23 VAL 23 HG23 VAL 23 7.883 -4.608 1.304 158 H ARG 24 H ARG 24 5.091 -6.392 5.008 159 HA ARG 24 HA ARG 24 2.575 -5.203 4.853 160 HB2 ARG 24 HB2 ARG 24 3.883 -6.649 7.182 161 HB3 ARG 24 HB3 ARG 24 2.187 -6.192 7.175 162 HG2 ARG 24 HG2 ARG 24 3.510 -8.118 5.236 163 HG3 ARG 24 HG3 ARG 24 2.522 -8.554 6.628 164 HD2 ARG 24 HD2 ARG 24 1.724 -7.423 3.986 165 HD3 ARG 24 HD3 ARG 24 1.040 -8.769 4.911 166 HE ARG 24 HE ARG 24 0.627 -6.218 6.238 167 HH11 ARG 24 HH11 ARG 24 -0.686 -8.270 3.688 168 HH12 ARG 24 HH12 ARG 24 -2.261 -7.529 3.780 169 HH21 ARG 24 HH21 ARG 24 -1.381 -5.276 6.272 170 HH22 ARG 24 HH22 ARG 24 -2.648 -5.882 5.230 171 H ARG 25 H ARG 25 5.044 -4.562 7.363 172 HA ARG 25 HA ARG 25 3.420 -2.709 8.794 173 HB2 ARG 25 HB2 ARG 25 5.489 -1.963 9.831 174 HB3 ARG 25 HB3 ARG 25 5.380 -3.718 9.770 175 HG2 ARG 25 HG2 ARG 25 7.552 -3.563 9.147 176 HG3 ARG 25 HG3 ARG 25 6.856 -3.352 7.536 177 HD2 ARG 25 HD2 ARG 25 8.632 -1.696 7.972 178 HD3 ARG 25 HD3 ARG 25 7.071 -0.911 7.738 179 HE ARG 25 HE ARG 25 7.064 -0.175 9.934 180 HH11 ARG 25 HH11 ARG 25 9.788 -2.392 9.531 181 HH12 ARG 25 HH12 ARG 25 10.501 -1.926 11.052 182 HH21 ARG 25 HH21 ARG 25 8.044 0.374 11.837 183 HH22 ARG 25 HH22 ARG 25 9.528 -0.391 12.334 184 H ALA 26 H ALA 26 5.258 -2.280 5.868 185 HA ALA 26 HA ALA 26 5.342 0.619 6.106 186 HB1 ALA 26 HB1 ALA 26 6.643 0.518 4.089 187 HB2 ALA 26 HB2 ALA 26 7.213 -0.811 5.112 188 HB3 ALA 26 HB3 ALA 26 6.122 -1.146 3.748 189 H LEU 27 H LEU 27 3.601 -2.003 4.498 190 HA LEU 27 HA LEU 27 2.140 -0.436 2.604 191 HB2 LEU 27 HB2 LEU 27 1.289 -2.963 4.109 192 HB3 LEU 27 HB3 LEU 27 0.456 -2.270 2.731 193 HG LEU 27 HG LEU 27 3.038 -3.812 2.794 194 HD11 LEU 27 HD11 LEU 27 0.508 -3.976 1.105 195 HD12 LEU 27 HD12 LEU 27 1.889 -5.099 1.055 196 HD13 LEU 27 HD13 LEU 27 0.889 -4.991 2.517 197 HD21 LEU 27 HD21 LEU 27 3.224 -3.196 0.341 198 HD22 LEU 27 HD22 LEU 27 2.101 -1.858 0.678 199 HD23 LEU 27 HD23 LEU 27 3.671 -1.942 1.506 200 H ASP 28 H ASP 28 1.234 -1.600 5.866 201 HA ASP 28 HA ASP 28 -1.275 -0.138 5.707 202 HB2 ASP 28 HB2 ASP 28 0.174 -1.577 7.962 203 HB3 ASP 28 HB3 ASP 28 -1.426 -0.833 8.141 204 H PHE 29 H PHE 29 1.963 0.519 7.019 205 HA PHE 29 HA PHE 29 1.252 2.879 8.494 206 HB2 PHE 29 HB2 PHE 29 3.449 1.772 8.678 207 HB3 PHE 29 HB3 PHE 29 3.813 2.192 7.001 208 HD1 PHE 29 HD1 PHE 29 3.897 3.260 10.456 209 HD2 PHE 29 HD2 PHE 29 3.993 4.717 6.409 210 HE1 PHE 29 HE1 PHE 29 4.877 5.411 11.248 211 HE2 PHE 29 HE2 PHE 29 4.980 6.854 7.192 212 HZ PHE 29 HZ PHE 29 5.425 7.209 9.612 213 H ALA 30 H ALA 30 2.316 2.319 5.070 214 HA ALA 30 HA ALA 30 2.353 5.047 4.317 215 HB1 ALA 30 HB1 ALA 30 3.089 3.203 2.840 216 HB2 ALA 30 HB2 ALA 30 1.399 2.695 2.628 217 HB3 ALA 30 HB3 ALA 30 1.936 4.272 2.009 218 H VAL 31 H VAL 31 -0.504 2.901 4.271 219 HA VAL 31 HA VAL 31 -2.299 4.852 3.058 220 HB VAL 31 HB VAL 31 -3.425 2.872 4.942 221 HG11 VAL 31 HG11 VAL 31 -4.828 2.241 3.111 222 HG12 VAL 31 HG12 VAL 31 -4.875 3.963 3.504 223 HG13 VAL 31 HG13 VAL 31 -3.968 3.402 2.074 224 HG21 VAL 31 HG21 VAL 31 -1.600 1.740 4.573 225 HG22 VAL 31 HG22 VAL 31 -2.907 0.952 3.648 226 HG23 VAL 31 HG23 VAL 31 -1.690 1.942 2.790 227 H GLY 32 H GLY 32 -1.421 3.663 6.284 228 HA2 GLY 32 HA2 GLY 32 -3.532 4.917 7.691 229 HA3 GLY 32 HA3 GLY 32 -1.974 4.418 8.376 230 H GLU 33 H GLU 33 -0.407 5.905 6.478 231 HA GLU 33 HA GLU 33 -0.568 8.463 8.037 232 HB2 GLU 33 HB2 GLU 33 1.533 7.207 7.765 233 HB3 GLU 33 HB3 GLU 33 1.517 7.580 6.041 234 HG2 GLU 33 HG2 GLU 33 2.266 9.665 6.369 235 HG3 GLU 33 HG3 GLU 33 1.204 9.926 7.755 236 H TYR 34 H TYR 34 -1.189 7.279 4.884 237 HA TYR 34 HA TYR 34 -1.276 9.955 3.851 238 HB2 TYR 34 HB2 TYR 34 -0.292 8.220 2.453 239 HB3 TYR 34 HB3 TYR 34 -1.870 7.431 2.330 240 HD1 TYR 34 HD1 TYR 34 -0.494 10.942 1.947 241 HD2 TYR 34 HD2 TYR 34 -3.019 7.863 0.327 242 HE1 TYR 34 HE1 TYR 34 -1.081 12.424 0.027 243 HE2 TYR 34 HE2 TYR 34 -3.616 9.358 -1.574 244 HH TYR 34 HH TYR 34 -2.330 12.672 -1.866 245 H ASN 35 H ASN 35 -3.517 7.296 3.852 246 HA ASN 35 HA ASN 35 -5.767 8.968 2.986 247 HB2 ASN 35 HB2 ASN 35 -5.175 6.043 3.450 248 HB3 ASN 35 HB3 ASN 35 -6.870 6.567 3.480 249 HD21 ASN 35 HD21 ASN 35 -7.162 5.205 1.662 250 HD22 ASN 35 HD22 ASN 35 -6.701 5.774 0.066 251 H LYS 36 H LYS 36 -5.010 6.858 5.777 252 HA LYS 36 HA LYS 36 -7.435 7.587 7.200 253 HB2 LYS 36 HB2 LYS 36 -6.357 5.468 7.599 254 HB3 LYS 36 HB3 LYS 36 -4.832 6.275 7.925 255 HG2 LYS 36 HG2 LYS 36 -7.023 6.992 9.775 256 HG3 LYS 36 HG3 LYS 36 -6.438 5.321 9.870 257 HD2 LYS 36 HD2 LYS 36 -4.267 5.942 10.460 258 HD3 LYS 36 HD3 LYS 36 -4.403 7.541 9.730 259 HE2 LYS 36 HE2 LYS 36 -6.065 6.806 12.154 260 HE3 LYS 36 HE3 LYS 36 -4.392 7.384 12.319 261 HZ1 LYS 36 HZ1 LYS 36 -6.139 9.161 12.410 262 HZ2 LYS 36 HZ2 LYS 36 -4.973 9.422 11.273 263 HZ3 LYS 36 HZ3 LYS 36 -6.459 8.890 10.809 264 H ALA 37 H ALA 37 -4.166 8.894 7.017 265 HA ALA 37 HA ALA 37 -4.379 10.433 9.449 266 HB1 ALA 37 HB1 ALA 37 -2.373 11.421 8.806 267 HB2 ALA 37 HB2 ALA 37 -2.274 9.738 8.202 268 HB3 ALA 37 HB3 ALA 37 -2.674 11.079 7.091 269 H SER 38 H SER 38 -5.132 10.802 6.021 270 HA SER 38 HA SER 38 -6.080 13.570 6.281 271 HB2 SER 38 HB2 SER 38 -6.572 11.451 4.143 272 HB3 SER 38 HB3 SER 38 -7.061 13.151 4.034 273 HG SER 38 HG SER 38 -4.496 12.001 3.922 274 H ASN 39 H ASN 39 -8.385 14.123 6.022 275 HA ASN 39 HA ASN 39 -10.014 12.682 7.877 276 HB2 ASN 39 HB2 ASN 39 -10.260 15.100 7.275 277 HB3 ASN 39 HB3 ASN 39 -10.876 14.602 5.691 278 HD21 ASN 39 HD21 ASN 39 -12.999 14.881 5.610 279 HD22 ASN 39 HD22 ASN 39 -14.118 14.462 6.885 280 H ASP 40 H ASP 40 -11.217 10.893 7.617 281 HA ASP 40 HA ASP 40 -11.287 9.573 5.019 282 HB2 ASP 40 HB2 ASP 40 -11.039 8.424 7.268 283 HB3 ASP 40 HB3 ASP 40 -12.728 8.824 7.603 284 H MET 41 H MET 41 -12.555 10.595 3.566 285 HA MET 41 HA MET 41 -15.248 11.579 4.341 286 HB2 MET 41 HB2 MET 41 -13.709 11.693 1.718 287 HB3 MET 41 HB3 MET 41 -15.286 12.445 2.005 288 HG2 MET 41 HG2 MET 41 -14.318 13.888 3.729 289 HG3 MET 41 HG3 MET 41 -12.737 13.120 3.519 290 HE1 MET 41 HE1 MET 41 -12.094 12.861 0.494 291 HE2 MET 41 HE2 MET 41 -11.393 14.465 0.183 292 HE3 MET 41 HE3 MET 41 -11.044 13.624 1.713 293 H TYR 42 H TYR 42 -13.645 9.120 2.397 294 HA TYR 42 HA TYR 42 -16.125 7.527 2.312 295 HB2 TYR 42 HB2 TYR 42 -14.389 8.002 -0.146 296 HB3 TYR 42 HB3 TYR 42 -15.832 6.988 -0.047 297 HD1 TYR 42 HD1 TYR 42 -14.519 10.352 -0.607 298 HD2 TYR 42 HD2 TYR 42 -18.109 8.136 0.248 299 HE1 TYR 42 HE1 TYR 42 -15.900 12.310 -1.308 300 HE2 TYR 42 HE2 TYR 42 -19.479 10.099 -0.458 301 HH TYR 42 HH TYR 42 -19.464 12.252 -1.225 302 H HIS 43 H HIS 43 -15.486 5.397 2.630 303 HA HIS 43 HA HIS 43 -12.975 4.871 3.740 304 HB2 HIS 43 HB2 HIS 43 -14.379 2.687 2.260 305 HB3 HIS 43 HB3 HIS 43 -13.725 2.686 3.901 306 HD1 HIS 43 HD1 HIS 43 -16.850 3.039 1.987 307 HD2 HIS 43 HD2 HIS 43 -15.480 4.093 5.768 308 HE1 HIS 43 HE1 HIS 43 -18.889 3.567 3.369 309 H SER 44 H SER 44 -11.039 5.041 2.766 310 HA SER 44 HA SER 44 -10.768 3.947 -0.006 311 HB2 SER 44 HB2 SER 44 -9.454 6.455 1.108 312 HB3 SER 44 HB3 SER 44 -9.251 5.797 -0.530 313 HG SER 44 HG SER 44 -11.671 6.766 0.648 314 H ARG 45 H ARG 45 -8.977 2.652 -0.332 315 HA ARG 45 HA ARG 45 -6.840 2.685 1.727 316 HB2 ARG 45 HB2 ARG 45 -8.955 1.021 2.175 317 HB3 ARG 45 HB3 ARG 45 -7.955 -0.022 1.157 318 HG2 ARG 45 HG2 ARG 45 -6.034 0.443 2.754 319 HG3 ARG 45 HG3 ARG 45 -7.201 1.265 3.803 320 HD2 ARG 45 HD2 ARG 45 -8.541 -0.890 3.801 321 HD3 ARG 45 HD3 ARG 45 -7.169 -1.661 2.985 322 HE ARG 45 HE ARG 45 -7.352 -0.815 5.786 323 HH11 ARG 45 HH11 ARG 45 -5.080 -1.802 3.239 324 HH12 ARG 45 HH12 ARG 45 -3.834 -2.179 4.415 325 HH21 ARG 45 HH21 ARG 45 -5.697 -1.359 7.167 326 HH22 ARG 45 HH22 ARG 45 -4.167 -1.944 6.534 327 H ALA 46 H ALA 46 -5.043 1.263 1.194 328 HA ALA 46 HA ALA 46 -4.406 1.108 -1.624 329 HB1 ALA 46 HB1 ALA 46 -2.527 1.268 -0.038 330 HB2 ALA 46 HB2 ALA 46 -3.132 -0.113 0.908 331 HB3 ALA 46 HB3 ALA 46 -2.475 -0.374 -0.737 332 H LEU 47 H LEU 47 -5.811 -0.130 -2.789 333 HA LEU 47 HA LEU 47 -7.079 -2.532 -1.732 334 HB2 LEU 47 HB2 LEU 47 -6.818 -1.141 -4.399 335 HB3 LEU 47 HB3 LEU 47 -7.355 -2.805 -4.363 336 HG LEU 47 HG LEU 47 -8.830 -0.440 -3.217 337 HD11 LEU 47 HD11 LEU 47 -10.402 -1.110 -5.062 338 HD12 LEU 47 HD12 LEU 47 -8.794 -0.649 -5.667 339 HD13 LEU 47 HD13 LEU 47 -9.238 -2.368 -5.555 340 HD21 LEU 47 HD21 LEU 47 -10.675 -2.099 -2.848 341 HD22 LEU 47 HD22 LEU 47 -9.520 -3.407 -3.198 342 HD23 LEU 47 HD23 LEU 47 -9.284 -2.363 -1.779 343 H GLN 48 H GLN 48 -4.524 -1.786 -4.062 344 HA GLN 48 HA GLN 48 -3.692 -4.649 -4.060 345 HB2 GLN 48 HB2 GLN 48 -5.365 -4.134 -5.866 346 HB3 GLN 48 HB3 GLN 48 -4.303 -2.858 -6.453 347 HG2 GLN 48 HG2 GLN 48 -2.556 -4.551 -6.950 348 HG3 GLN 48 HG3 GLN 48 -3.681 -5.820 -6.437 349 HE21 GLN 48 HE21 GLN 48 -2.430 -5.312 -9.064 350 HE22 GLN 48 HE22 GLN 48 -3.753 -5.145 -10.188 351 H VAL 49 H VAL 49 -1.541 -4.668 -3.632 352 HA VAL 49 HA VAL 49 0.007 -2.244 -4.191 353 HB VAL 49 HB VAL 49 0.553 -4.733 -2.606 354 HG11 VAL 49 HG11 VAL 49 2.761 -3.022 -3.829 355 HG12 VAL 49 HG12 VAL 49 2.979 -4.223 -2.542 356 HG13 VAL 49 HG13 VAL 49 2.471 -4.748 -4.153 357 HG21 VAL 49 HG21 VAL 49 -0.136 -2.530 -1.584 358 HG22 VAL 49 HG22 VAL 49 1.447 -3.079 -1.035 359 HG23 VAL 49 HG23 VAL 49 1.341 -1.753 -2.242 360 H VAL 50 H VAL 50 1.146 -1.912 -5.940 361 HA VAL 50 HA VAL 50 1.136 -3.988 -8.033 362 HB VAL 50 HB VAL 50 2.301 -1.155 -8.105 363 HG11 VAL 50 HG11 VAL 50 3.106 -2.692 -9.896 364 HG12 VAL 50 HG12 VAL 50 1.425 -3.028 -10.358 365 HG13 VAL 50 HG13 VAL 50 2.099 -1.390 -10.553 366 HG21 VAL 50 HG21 VAL 50 -0.469 -2.136 -8.873 367 HG22 VAL 50 HG22 VAL 50 -0.057 -0.972 -7.592 368 HG23 VAL 50 HG23 VAL 50 0.197 -0.540 -9.289 369 H ARG 51 H ARG 51 3.381 -2.074 -5.993 370 HA ARG 51 HA ARG 51 5.497 -4.135 -6.434 371 HB2 ARG 51 HB2 ARG 51 6.079 -1.162 -6.668 372 HB3 ARG 51 HB3 ARG 51 7.208 -2.484 -6.913 373 HG2 ARG 51 HG2 ARG 51 4.853 -1.849 -8.726 374 HG3 ARG 51 HG3 ARG 51 6.514 -1.332 -9.014 375 HD2 ARG 51 HD2 ARG 51 7.265 -3.610 -9.278 376 HD3 ARG 51 HD3 ARG 51 5.714 -4.232 -8.709 377 HE ARG 51 HE ARG 51 4.730 -3.839 -10.751 378 HH11 ARG 51 HH11 ARG 51 7.996 -2.507 -10.817 379 HH12 ARG 51 HH12 ARG 51 7.960 -2.259 -12.543 380 HH21 ARG 51 HH21 ARG 51 4.752 -3.486 -12.937 381 HH22 ARG 51 HH22 ARG 51 6.156 -2.819 -13.721 382 H ALA 52 H ALA 52 6.944 -4.277 -4.678 383 HA ALA 52 HA ALA 52 6.713 -2.279 -2.491 384 HB1 ALA 52 HB1 ALA 52 5.075 -4.025 -1.897 385 HB2 ALA 52 HB2 ALA 52 6.316 -5.282 -2.140 386 HB3 ALA 52 HB3 ALA 52 6.492 -4.087 -0.833 387 H ARG 53 H ARG 53 8.693 -1.637 -2.157 388 HA ARG 53 HA ARG 53 10.864 -3.636 -2.199 389 HB2 ARG 53 HB2 ARG 53 12.205 -2.276 -3.793 390 HB3 ARG 53 HB3 ARG 53 10.825 -3.073 -4.514 391 HG2 ARG 53 HG2 ARG 53 10.748 -0.209 -3.732 392 HG3 ARG 53 HG3 ARG 53 11.349 -0.764 -5.296 393 HD2 ARG 53 HD2 ARG 53 9.076 -2.097 -5.313 394 HD3 ARG 53 HD3 ARG 53 8.595 -0.852 -4.161 395 HE ARG 53 HE ARG 53 8.384 0.654 -5.888 396 HH11 ARG 53 HH11 ARG 53 10.318 -2.080 -7.099 397 HH12 ARG 53 HH12 ARG 53 10.305 -1.454 -8.725 398 HH21 ARG 53 HH21 ARG 53 8.343 1.314 -7.949 399 HH22 ARG 53 HH22 ARG 53 9.216 0.460 -9.203 400 H LYS 54 H LYS 54 12.907 -2.730 -1.621 401 HA LYS 54 HA LYS 54 12.535 -0.383 0.173 402 HB2 LYS 54 HB2 LYS 54 13.952 -3.017 0.814 403 HB3 LYS 54 HB3 LYS 54 13.965 -1.590 1.854 404 HG2 LYS 54 HG2 LYS 54 12.147 -2.301 2.856 405 HG3 LYS 54 HG3 LYS 54 11.245 -2.172 1.341 406 HD2 LYS 54 HD2 LYS 54 11.920 -4.512 0.745 407 HD3 LYS 54 HD3 LYS 54 12.814 -4.612 2.284 408 HE2 LYS 54 HE2 LYS 54 10.452 -3.752 3.208 409 HE3 LYS 54 HE3 LYS 54 9.911 -4.578 1.725 410 HZ1 LYS 54 HZ1 LYS 54 11.582 -5.792 3.872 411 HZ2 LYS 54 HZ2 LYS 54 9.983 -6.097 3.622 412 HZ3 LYS 54 HZ3 LYS 54 11.092 -6.573 2.507 413 H GLN 55 H GLN 55 14.635 0.509 0.853 414 HA GLN 55 HA GLN 55 16.891 -0.079 -1.020 415 HB2 GLN 55 HB2 GLN 55 15.678 2.003 -1.694 416 HB3 GLN 55 HB3 GLN 55 15.873 2.618 -0.051 417 HG2 GLN 55 HG2 GLN 55 18.351 2.558 -0.360 418 HG3 GLN 55 HG3 GLN 55 18.100 2.041 -2.036 419 HE21 GLN 55 HE21 GLN 55 18.635 3.739 -3.278 420 HE22 GLN 55 HE22 GLN 55 18.041 5.365 -3.054 421 H ILE 56 H ILE 56 18.532 -0.791 0.239 422 HA ILE 56 HA ILE 56 18.520 -0.012 3.126 423 HB ILE 56 HB ILE 56 19.956 -2.292 1.688 424 HG12 ILE 56 HG12 ILE 56 18.139 -3.265 3.632 425 HG13 ILE 56 HG13 ILE 56 17.251 -2.031 2.737 426 HG21 ILE 56 HG21 ILE 56 21.214 -1.582 3.694 427 HG22 ILE 56 HG22 ILE 56 19.732 -1.662 4.677 428 HG23 ILE 56 HG23 ILE 56 20.437 -3.147 3.988 429 HD11 ILE 56 HD11 ILE 56 16.946 -4.267 1.755 430 HD12 ILE 56 HD12 ILE 56 17.775 -3.184 0.616 431 HD13 ILE 56 HD13 ILE 56 18.701 -4.413 1.512 432 H GLY 57 H GLY 57 20.088 1.240 3.941 433 HA2 GLY 57 HA2 GLY 57 22.776 1.321 2.994 434 HA3 GLY 57 HA3 GLY 57 21.869 2.726 2.368 435 H ALA 58 H ALA 58 23.241 4.072 3.836 436 HA ALA 58 HA ALA 58 23.175 3.747 6.681 437 HB1 ALA 58 HB1 ALA 58 23.563 6.278 5.010 438 HB2 ALA 58 HB2 ALA 58 23.955 6.097 6.735 439 HB3 ALA 58 HB3 ALA 58 24.851 5.155 5.522 440 H GLY 59 H GLY 59 20.934 5.065 4.364 441 HA2 GLY 59 HA2 GLY 59 19.019 5.653 6.580 442 HA3 GLY 59 HA3 GLY 59 19.069 6.593 5.051 443 H VAL 60 H VAL 60 16.818 4.844 5.966 444 HA VAL 60 HA VAL 60 17.038 2.735 3.843 445 HB VAL 60 HB VAL 60 15.611 2.593 6.543 446 HG11 VAL 60 HG11 VAL 60 15.742 0.544 4.282 447 HG12 VAL 60 HG12 VAL 60 15.086 0.236 5.908 448 HG13 VAL 60 HG13 VAL 60 14.291 1.411 4.844 449 HG21 VAL 60 HG21 VAL 60 18.040 2.280 6.762 450 HG22 VAL 60 HG22 VAL 60 17.206 0.736 7.012 451 HG23 VAL 60 HG23 VAL 60 18.022 1.066 5.465 452 H ASN 61 H ASN 61 15.438 2.754 2.331 453 HA ASN 61 HA ASN 61 13.057 4.486 2.950 454 HB2 ASN 61 HB2 ASN 61 14.699 4.254 0.431 455 HB3 ASN 61 HB3 ASN 61 12.987 4.671 0.350 456 HD21 ASN 61 HD21 ASN 61 16.013 5.937 0.442 457 HD22 ASN 61 HD22 ASN 61 15.621 7.513 1.105 458 H TYR 62 H TYR 62 11.131 3.672 2.581 459 HA TYR 62 HA TYR 62 10.952 0.921 1.375 460 HB2 TYR 62 HB2 TYR 62 9.159 2.393 3.347 461 HB3 TYR 62 HB3 TYR 62 8.714 0.882 2.557 462 HD1 TYR 62 HD1 TYR 62 9.446 -1.224 3.418 463 HD2 TYR 62 HD2 TYR 62 11.169 2.414 4.947 464 HE1 TYR 62 HE1 TYR 62 10.535 -2.502 5.267 465 HE2 TYR 62 HE2 TYR 62 12.264 1.110 6.776 466 HH TYR 62 HH TYR 62 12.594 -0.937 7.715 467 H PHE 63 H PHE 63 10.243 1.059 -0.703 468 HA PHE 63 HA PHE 63 8.493 3.387 -1.436 469 HB2 PHE 63 HB2 PHE 63 10.154 1.510 -3.131 470 HB3 PHE 63 HB3 PHE 63 9.097 2.757 -3.774 471 HD1 PHE 63 HD1 PHE 63 12.277 2.071 -1.994 472 HD2 PHE 63 HD2 PHE 63 9.753 5.093 -3.733 473 HE1 PHE 63 HE1 PHE 63 14.171 3.689 -1.931 474 HE2 PHE 63 HE2 PHE 63 11.644 6.712 -3.674 475 HZ PHE 63 HZ PHE 63 13.854 6.016 -2.755 476 H LEU 64 H LEU 64 6.391 2.895 -1.591 477 HA LEU 64 HA LEU 64 5.654 0.068 -2.292 478 HB2 LEU 64 HB2 LEU 64 4.078 2.059 -0.628 479 HB3 LEU 64 HB3 LEU 64 3.589 0.432 -1.035 480 HG LEU 64 HG LEU 64 4.114 0.217 1.151 481 HD11 LEU 64 HD11 LEU 64 6.114 -1.063 1.453 482 HD12 LEU 64 HD12 LEU 64 5.537 -1.393 -0.192 483 HD13 LEU 64 HD13 LEU 64 6.910 -0.294 0.068 484 HD21 LEU 64 HD21 LEU 64 6.544 2.014 0.848 485 HD22 LEU 64 HD22 LEU 64 4.939 2.548 1.388 486 HD23 LEU 64 HD23 LEU 64 5.851 1.382 2.350 487 H ASP 65 H ASP 65 4.433 -0.111 -4.072 488 HA ASP 65 HA ASP 65 3.044 2.384 -5.037 489 HB2 ASP 65 HB2 ASP 65 4.302 0.110 -6.685 490 HB3 ASP 65 HB3 ASP 65 3.363 1.449 -7.354 491 H VAL 66 H VAL 66 1.256 2.349 -5.458 492 HA VAL 66 HA VAL 66 -0.379 0.007 -5.066 493 HB VAL 66 HB VAL 66 0.396 1.588 -2.864 494 HG11 VAL 66 HG11 VAL 66 -1.784 2.109 -1.937 495 HG12 VAL 66 HG12 VAL 66 -1.629 2.966 -3.470 496 HG13 VAL 66 HG13 VAL 66 -2.616 1.477 -3.388 497 HG21 VAL 66 HG21 VAL 66 -0.655 -0.036 -1.718 498 HG22 VAL 66 HG22 VAL 66 -1.711 -0.465 -3.107 499 HG23 VAL 66 HG23 VAL 66 0.030 -0.709 -3.175 500 H GLU 67 H GLU 67 -2.229 -0.197 -5.607 501 HA GLU 67 HA GLU 67 -3.433 2.014 -7.136 502 HB2 GLU 67 HB2 GLU 67 -3.507 -0.892 -7.252 503 HB3 GLU 67 HB3 GLU 67 -5.123 -0.169 -7.287 504 HG2 GLU 67 HG2 GLU 67 -4.505 1.247 -9.167 505 HG3 GLU 67 HG3 GLU 67 -2.835 0.642 -9.102 506 H LEU 68 H LEU 68 -4.775 3.276 -6.149 507 HA LEU 68 HA LEU 68 -5.863 2.512 -3.497 508 HB2 LEU 68 HB2 LEU 68 -5.446 5.030 -5.085 509 HB3 LEU 68 HB3 LEU 68 -6.749 5.001 -3.893 510 HG LEU 68 HG LEU 68 -3.770 4.883 -3.411 511 HD11 LEU 68 HD11 LEU 68 -6.010 6.654 -2.329 512 HD12 LEU 68 HD12 LEU 68 -4.266 6.870 -2.065 513 HD13 LEU 68 HD13 LEU 68 -4.951 7.074 -3.690 514 HD21 LEU 68 HD21 LEU 68 -5.974 4.241 -1.429 515 HD22 LEU 68 HD22 LEU 68 -4.588 3.229 -1.885 516 HD23 LEU 68 HD23 LEU 68 -4.322 4.720 -0.967 517 H GLY 69 H GLY 69 -7.998 2.281 -3.078 518 HA2 GLY 69 HA2 GLY 69 -9.966 2.937 -5.170 519 HA3 GLY 69 HA3 GLY 69 -9.823 1.224 -4.731 520 H ARG 70 H ARG 70 -12.212 2.055 -4.200 521 HA ARG 70 HA ARG 70 -12.234 2.755 -1.295 522 HB2 ARG 70 HB2 ARG 70 -14.161 3.781 -3.416 523 HB3 ARG 70 HB3 ARG 70 -14.197 4.158 -1.691 524 HG2 ARG 70 HG2 ARG 70 -11.882 5.176 -2.005 525 HG3 ARG 70 HG3 ARG 70 -12.164 5.031 -3.748 526 HD2 ARG 70 HD2 ARG 70 -14.321 6.326 -3.394 527 HD3 ARG 70 HD3 ARG 70 -13.775 6.624 -1.733 528 HE ARG 70 HE ARG 70 -12.126 8.081 -2.518 529 HH11 ARG 70 HH11 ARG 70 -13.725 6.567 -5.285 530 HH12 ARG 70 HH12 ARG 70 -12.983 7.660 -6.437 531 HH21 ARG 70 HH21 ARG 70 -11.253 9.454 -4.052 532 HH22 ARG 70 HH22 ARG 70 -11.634 9.248 -5.754 533 H THR 71 H THR 71 -14.274 2.132 -0.219 534 HA THR 71 HA THR 71 -15.664 -0.101 -1.654 535 HB THR 71 HB THR 71 -16.128 -1.096 0.597 536 HG1 THR 71 HG1 THR 71 -15.871 0.420 2.094 537 HG21 THR 71 HG21 THR 71 -14.174 -1.866 -0.745 538 HG22 THR 71 HG22 THR 71 -13.153 -0.678 0.103 539 HG23 THR 71 HG23 THR 71 -13.909 -2.009 1.006 540 H THR 72 H THR 72 -17.914 -0.105 -1.532 541 HA THR 72 HA THR 72 -19.047 2.544 -0.901 542 HB THR 72 HB THR 72 -21.201 1.440 -1.705 543 HG1 THR 72 HG1 THR 72 -19.542 -0.655 -2.663 544 HG21 THR 72 HG21 THR 72 -20.494 1.300 -4.073 545 HG22 THR 72 HG22 THR 72 -19.803 2.724 -3.264 546 HG23 THR 72 HG23 THR 72 -18.792 1.291 -3.566 547 H CYS 73 H CYS 73 -18.697 -0.538 0.628 548 HA CYS 73 HA CYS 73 -20.814 0.146 2.598 549 HB2 CYS 73 HB2 CYS 73 -19.230 -2.389 2.118 550 HB3 CYS 73 HB3 CYS 73 -20.319 -2.142 3.488 551 H THR 74 H THR 74 -20.410 -0.190 4.810 552 HA THR 74 HA THR 74 -17.787 0.936 5.597 553 HB THR 74 HB THR 74 -18.895 1.976 7.413 554 HG1 THR 74 HG1 THR 74 -20.990 1.179 8.094 555 HG21 THR 74 HG21 THR 74 -20.817 3.070 6.659 556 HG22 THR 74 HG22 THR 74 -19.921 2.723 5.171 557 HG23 THR 74 HG23 THR 74 -21.316 1.716 5.628 558 H LYS 75 H LYS 75 -17.370 0.435 7.958 559 HA LYS 75 HA LYS 75 -16.782 -2.286 8.353 560 HB2 LYS 75 HB2 LYS 75 -16.177 -1.494 10.647 561 HB3 LYS 75 HB3 LYS 75 -15.577 -0.413 9.382 562 HG2 LYS 75 HG2 LYS 75 -17.682 1.049 9.771 563 HG3 LYS 75 HG3 LYS 75 -18.012 0.033 11.185 564 HD2 LYS 75 HD2 LYS 75 -16.891 1.939 12.031 565 HD3 LYS 75 HD3 LYS 75 -15.655 0.664 12.013 566 HE2 LYS 75 HE2 LYS 75 -14.752 1.561 9.885 567 HE3 LYS 75 HE3 LYS 75 -16.035 2.785 9.842 568 HZ1 LYS 75 HZ1 LYS 75 -13.977 3.702 10.687 569 HZ2 LYS 75 HZ2 LYS 75 -15.121 3.729 11.874 570 HZ3 LYS 75 HZ3 LYS 75 -13.921 2.597 11.913 571 H THR 76 H THR 76 -19.687 -0.587 9.085 572 HA THR 76 HA THR 76 -20.636 -2.747 10.887 573 HB THR 76 HB THR 76 -22.510 -0.971 10.653 574 HG1 THR 76 HG1 THR 76 -21.750 1.074 10.464 575 HG21 THR 76 HG21 THR 76 -21.635 0.150 12.734 576 HG22 THR 76 HG22 THR 76 -21.472 -1.618 12.823 577 HG23 THR 76 HG23 THR 76 -20.056 -0.614 12.425 578 H GLN 77 H GLN 77 -20.991 -1.479 7.890 579 HA GLN 77 HA GLN 77 -23.674 -2.070 7.184 580 HB2 GLN 77 HB2 GLN 77 -21.161 -1.730 5.613 581 HB3 GLN 77 HB3 GLN 77 -22.563 -2.407 4.796 582 HG2 GLN 77 HG2 GLN 77 -22.685 0.157 6.365 583 HG3 GLN 77 HG3 GLN 77 -22.255 0.094 4.645 584 HE21 GLN 77 HE21 GLN 77 -23.813 -0.412 3.099 585 HE22 GLN 77 HE22 GLN 77 -25.515 -0.384 3.489 586 HA PRO 78 HA PRO 78 -23.813 -6.408 6.957 587 HB2 PRO 78 HB2 PRO 78 -25.621 -6.888 4.977 588 HB3 PRO 78 HB3 PRO 78 -26.091 -6.130 6.534 589 HG2 PRO 78 HG2 PRO 78 -25.433 -4.780 3.907 590 HG3 PRO 78 HG3 PRO 78 -26.873 -4.552 4.953 591 HD2 PRO 78 HD2 PRO 78 -24.738 -2.867 5.079 592 HD3 PRO 78 HD3 PRO 78 -25.644 -3.339 6.559 593 H ASN 79 H ASN 79 -23.427 -8.297 5.649 594 HA ASN 79 HA ASN 79 -22.017 -9.505 4.394 595 HB2 ASN 79 HB2 ASN 79 -22.438 -9.490 2.000 596 HB3 ASN 79 HB3 ASN 79 -23.917 -9.416 2.953 597 HD21 ASN 79 HD21 ASN 79 -25.170 -7.521 2.943 598 HD22 ASN 79 HD22 ASN 79 -24.964 -6.306 1.707 599 H LEU 80 H LEU 80 -20.206 -8.240 5.514 600 HA LEU 80 HA LEU 80 -18.512 -6.557 3.961 601 HB2 LEU 80 HB2 LEU 80 -18.109 -8.272 6.384 602 HB3 LEU 80 HB3 LEU 80 -16.689 -7.730 5.498 603 HG LEU 80 HG LEU 80 -17.668 -5.356 5.699 604 HD11 LEU 80 HD11 LEU 80 -19.033 -4.959 7.683 605 HD12 LEU 80 HD12 LEU 80 -19.883 -6.006 6.537 606 HD13 LEU 80 HD13 LEU 80 -19.136 -6.709 7.988 607 HD21 LEU 80 HD21 LEU 80 -15.640 -6.123 6.840 608 HD22 LEU 80 HD22 LEU 80 -16.599 -5.070 7.905 609 HD23 LEU 80 HD23 LEU 80 -16.619 -6.833 8.146 610 H ASP 81 H ASP 81 -19.213 -9.865 3.430 611 HA ASP 81 HA ASP 81 -16.607 -10.421 2.203 612 HB2 ASP 81 HB2 ASP 81 -19.055 -12.074 1.725 613 HB3 ASP 81 HB3 ASP 81 -17.389 -12.599 1.997 614 H ASN 82 H ASN 82 -19.926 -9.712 1.277 615 HA ASN 82 HA ASN 82 -19.324 -10.123 -1.568 616 HB2 ASN 82 HB2 ASN 82 -21.910 -9.293 -0.206 617 HB3 ASN 82 HB3 ASN 82 -21.734 -9.720 -1.911 618 HD21 ASN 82 HD21 ASN 82 -20.514 -11.939 -2.162 619 HD22 ASN 82 HD22 ASN 82 -21.164 -13.212 -1.157 620 H CYS 83 H CYS 83 -20.183 -7.358 0.552 621 HA CYS 83 HA CYS 83 -20.581 -5.572 -1.611 622 HB2 CYS 83 HB2 CYS 83 -21.113 -5.249 0.851 623 HB3 CYS 83 HB3 CYS 83 -19.426 -4.769 1.060 624 HA PRO 84 HA PRO 84 -16.114 -4.382 -1.664 625 HB2 PRO 84 HB2 PRO 84 -14.110 -5.852 -0.564 626 HB3 PRO 84 HB3 PRO 84 -14.975 -4.561 0.331 627 HG2 PRO 84 HG2 PRO 84 -15.432 -7.506 0.358 628 HG3 PRO 84 HG3 PRO 84 -15.236 -6.367 1.729 629 HD2 PRO 84 HD2 PRO 84 -17.669 -7.177 0.862 630 HD3 PRO 84 HD3 PRO 84 -17.390 -5.513 1.477 631 H PHE 85 H PHE 85 -16.909 -7.896 -1.725 632 HA PHE 85 HA PHE 85 -15.110 -8.618 -3.835 633 HB2 PHE 85 HB2 PHE 85 -16.522 -10.256 -2.632 634 HB3 PHE 85 HB3 PHE 85 -17.960 -9.534 -3.360 635 HD1 PHE 85 HD1 PHE 85 -14.807 -11.350 -4.197 636 HD2 PHE 85 HD2 PHE 85 -18.749 -10.185 -5.465 637 HE1 PHE 85 HE1 PHE 85 -14.604 -12.845 -6.181 638 HE2 PHE 85 HE2 PHE 85 -18.565 -11.685 -7.445 639 HZ PHE 85 HZ PHE 85 -16.481 -13.007 -7.818 640 H HIS 86 H HIS 86 -18.299 -6.991 -3.836 641 HA HIS 86 HA HIS 86 -18.286 -6.852 -6.770 642 HB2 HIS 86 HB2 HIS 86 -20.138 -5.675 -4.681 643 HB3 HIS 86 HB3 HIS 86 -20.366 -5.528 -6.429 644 HD1 HIS 86 HD1 HIS 86 -20.270 -8.150 -7.635 645 HD2 HIS 86 HD2 HIS 86 -21.589 -7.721 -3.716 646 HE1 HIS 86 HE1 HIS 86 -21.606 -10.223 -7.086 647 H ASP 87 H ASP 87 -17.126 -4.841 -4.156 648 HA ASP 87 HA ASP 87 -17.221 -2.342 -5.625 649 HB2 ASP 87 HB2 ASP 87 -15.634 -3.257 -3.217 650 HB3 ASP 87 HB3 ASP 87 -15.346 -1.697 -3.979 651 H GLN 88 H GLN 88 -14.772 -4.958 -5.286 652 HA GLN 88 HA GLN 88 -12.671 -3.564 -6.582 653 HB2 GLN 88 HB2 GLN 88 -13.361 -6.444 -6.233 654 HB3 GLN 88 HB3 GLN 88 -12.151 -6.022 -7.462 655 HG2 GLN 88 HG2 GLN 88 -10.863 -4.832 -5.852 656 HG3 GLN 88 HG3 GLN 88 -12.068 -5.156 -4.595 657 HE21 GLN 88 HE21 GLN 88 -10.192 -6.084 -3.450 658 HE22 GLN 88 HE22 GLN 88 -9.737 -7.734 -3.800 659 HA PRO 89 HA PRO 89 -13.991 -4.857 -10.787 660 HB2 PRO 89 HB2 PRO 89 -16.515 -5.811 -11.371 661 HB3 PRO 89 HB3 PRO 89 -15.157 -6.886 -10.900 662 HG2 PRO 89 HG2 PRO 89 -17.331 -5.733 -9.130 663 HG3 PRO 89 HG3 PRO 89 -16.803 -7.441 -9.273 664 HD2 PRO 89 HD2 PRO 89 -15.906 -5.865 -7.339 665 HD3 PRO 89 HD3 PRO 89 -14.836 -7.051 -8.145 666 H HIS 90 H HIS 90 -16.102 -3.229 -8.555 667 HA HIS 90 HA HIS 90 -17.520 -1.602 -10.499 668 HB2 HIS 90 HB2 HIS 90 -18.251 -2.048 -8.123 669 HB3 HIS 90 HB3 HIS 90 -16.948 -0.988 -7.583 670 HD1 HIS 90 HD1 HIS 90 -19.021 0.434 -6.543 671 HD2 HIS 90 HD2 HIS 90 -18.695 0.383 -10.686 672 HE1 HIS 90 HE1 HIS 90 -20.445 2.332 -7.408 673 H LEU 91 H LEU 91 -14.444 -1.460 -8.751 674 HA LEU 91 HA LEU 91 -13.812 1.272 -9.560 675 HB2 LEU 91 HB2 LEU 91 -12.376 -1.014 -8.270 676 HB3 LEU 91 HB3 LEU 91 -11.421 0.255 -8.992 677 HG LEU 91 HG LEU 91 -11.539 0.491 -6.592 678 HD11 LEU 91 HD11 LEU 91 -11.235 2.481 -8.019 679 HD12 LEU 91 HD12 LEU 91 -12.994 2.731 -8.067 680 HD13 LEU 91 HD13 LEU 91 -12.114 2.879 -6.532 681 HD21 LEU 91 HD21 LEU 91 -13.646 1.319 -5.527 682 HD22 LEU 91 HD22 LEU 91 -14.525 0.875 -7.001 683 HD23 LEU 91 HD23 LEU 91 -13.703 -0.373 -6.037 684 H LYS 92 H LYS 92 -14.381 0.993 -11.855 685 HA LYS 92 HA LYS 92 -12.634 -0.675 -13.531 686 HB2 LYS 92 HB2 LYS 92 -14.624 1.511 -14.228 687 HB3 LYS 92 HB3 LYS 92 -13.795 0.491 -15.412 688 HG2 LYS 92 HG2 LYS 92 -15.185 -1.250 -15.070 689 HG3 LYS 92 HG3 LYS 92 -15.098 -1.079 -13.313 690 HD2 LYS 92 HD2 LYS 92 -16.629 1.073 -13.853 691 HD3 LYS 92 HD3 LYS 92 -17.081 0.046 -15.233 692 HE2 LYS 92 HE2 LYS 92 -17.138 -0.716 -12.291 693 HE3 LYS 92 HE3 LYS 92 -18.557 -0.317 -13.282 694 HZ1 LYS 92 HZ1 LYS 92 -16.781 -2.668 -13.500 695 HZ2 LYS 92 HZ2 LYS 92 -18.397 -2.654 -13.183 696 HZ3 LYS 92 HZ3 LYS 92 -17.856 -2.268 -14.696 697 H ARG 93 H ARG 93 -12.443 2.346 -12.033 698 HA ARG 93 HA ARG 93 -9.963 2.994 -13.578 699 HB2 ARG 93 HB2 ARG 93 -11.460 4.805 -14.117 700 HB3 ARG 93 HB3 ARG 93 -12.164 4.804 -12.502 701 HG2 ARG 93 HG2 ARG 93 -10.787 6.795 -12.812 702 HG3 ARG 93 HG3 ARG 93 -10.081 5.769 -11.558 703 HD2 ARG 93 HD2 ARG 93 -8.334 5.027 -13.006 704 HD3 ARG 93 HD3 ARG 93 -9.142 5.688 -14.442 705 HE ARG 93 HE ARG 93 -8.770 7.938 -12.956 706 HH11 ARG 93 HH11 ARG 93 -6.454 5.368 -13.733 707 HH12 ARG 93 HH12 ARG 93 -5.118 6.492 -13.764 708 HH21 ARG 93 HH21 ARG 93 -7.022 9.264 -13.034 709 HH22 ARG 93 HH22 ARG 93 -5.421 8.620 -13.366 710 H LYS 94 H LYS 94 -8.286 2.758 -12.196 711 HA LYS 94 HA LYS 94 -8.867 2.909 -9.266 712 HB2 LYS 94 HB2 LYS 94 -6.769 1.170 -10.613 713 HB3 LYS 94 HB3 LYS 94 -7.173 1.207 -8.896 714 HG2 LYS 94 HG2 LYS 94 -9.571 0.562 -10.306 715 HG3 LYS 94 HG3 LYS 94 -8.290 -0.407 -11.034 716 HD2 LYS 94 HD2 LYS 94 -8.942 -0.293 -8.059 717 HD3 LYS 94 HD3 LYS 94 -9.498 -1.551 -9.167 718 HE2 LYS 94 HE2 LYS 94 -6.613 -0.966 -8.407 719 HE3 LYS 94 HE3 LYS 94 -7.584 -2.329 -7.851 720 HZ1 LYS 94 HZ1 LYS 94 -6.239 -3.151 -9.543 721 HZ2 LYS 94 HZ2 LYS 94 -7.700 -2.946 -10.295 722 HZ3 LYS 94 HZ3 LYS 94 -6.473 -1.856 -10.539 723 H ALA 95 H ALA 95 -7.420 4.200 -8.187 724 HA ALA 95 HA ALA 95 -5.778 5.979 -9.862 725 HB1 ALA 95 HB1 ALA 95 -5.195 6.834 -7.506 726 HB2 ALA 95 HB2 ALA 95 -6.876 7.029 -8.040 727 HB3 ALA 95 HB3 ALA 95 -6.438 5.709 -6.927 728 H PHE 96 H PHE 96 -3.456 5.898 -9.849 729 HA PHE 96 HA PHE 96 -2.357 3.763 -8.099 730 HB2 PHE 96 HB2 PHE 96 -0.515 3.447 -9.703 731 HB3 PHE 96 HB3 PHE 96 -2.089 3.023 -10.381 732 HD1 PHE 96 HD1 PHE 96 -3.087 4.303 -12.200 733 HD2 PHE 96 HD2 PHE 96 0.712 5.435 -10.517 734 HE1 PHE 96 HE1 PHE 96 -2.658 5.774 -14.165 735 HE2 PHE 96 HE2 PHE 96 1.148 6.909 -12.479 736 HZ PHE 96 HZ PHE 96 -0.533 7.070 -14.317 737 H CYS 97 H CYS 97 -0.834 4.252 -6.784 738 HA CYS 97 HA CYS 97 0.111 7.080 -6.685 739 HB2 CYS 97 HB2 CYS 97 -0.855 5.290 -4.430 740 HB3 CYS 97 HB3 CYS 97 -0.196 6.922 -4.247 741 H SER 98 H SER 98 2.001 7.385 -5.373 742 HA SER 98 HA SER 98 3.627 4.908 -4.915 743 HB2 SER 98 HB2 SER 98 4.603 7.560 -6.050 744 HB3 SER 98 HB3 SER 98 5.643 6.219 -5.541 745 HG SER 98 HG SER 98 4.697 4.913 -7.118 746 H PHE 99 H PHE 99 4.354 4.756 -2.946 747 HA PHE 99 HA PHE 99 4.378 7.213 -1.235 748 HB2 PHE 99 HB2 PHE 99 3.599 4.380 -0.469 749 HB3 PHE 99 HB3 PHE 99 3.689 5.760 0.628 750 HD1 PHE 99 HD1 PHE 99 2.280 7.892 -0.219 751 HD2 PHE 99 HD2 PHE 99 1.490 3.803 -1.289 752 HE1 PHE 99 HE1 PHE 99 -0.059 8.505 -0.792 753 HE2 PHE 99 HE2 PHE 99 -0.870 4.404 -1.825 754 HZ PHE 99 HZ PHE 99 -1.645 6.757 -1.587 755 H GLN 100 H GLN 100 6.337 7.700 -0.588 756 HA GLN 100 HA GLN 100 8.330 5.476 -0.252 757 HB2 GLN 100 HB2 GLN 100 8.967 7.174 -1.955 758 HB3 GLN 100 HB3 GLN 100 8.769 8.429 -0.731 759 HG2 GLN 100 HG2 GLN 100 10.564 7.331 0.634 760 HG3 GLN 100 HG3 GLN 100 10.851 6.236 -0.724 761 HE21 GLN 100 HE21 GLN 100 12.634 8.207 0.520 762 HE22 GLN 100 HE22 GLN 100 13.068 9.330 -0.755 763 H ILE 101 H ILE 101 8.420 4.937 1.838 764 HA ILE 101 HA ILE 101 8.082 7.110 3.864 765 HB ILE 101 HB ILE 101 8.309 4.101 4.288 766 HG12 ILE 101 HG12 ILE 101 5.770 5.716 4.576 767 HG13 ILE 101 HG13 ILE 101 6.201 4.955 3.042 768 HG21 ILE 101 HG21 ILE 101 7.586 6.412 6.145 769 HG22 ILE 101 HG22 ILE 101 7.412 4.712 6.580 770 HG23 ILE 101 HG23 ILE 101 9.024 5.369 6.244 771 HD11 ILE 101 HD11 ILE 101 5.813 3.498 5.669 772 HD12 ILE 101 HD12 ILE 101 4.696 3.527 4.296 773 HD13 ILE 101 HD13 ILE 101 6.284 2.756 4.128 774 H TYR 102 H TYR 102 9.925 7.998 4.648 775 HA TYR 102 HA TYR 102 12.469 6.546 4.150 776 HB2 TYR 102 HB2 TYR 102 12.518 8.933 3.676 777 HB3 TYR 102 HB3 TYR 102 11.836 9.300 5.270 778 HD1 TYR 102 HD1 TYR 102 13.332 10.020 6.917 779 HD2 TYR 102 HD2 TYR 102 14.765 7.365 3.849 780 HE1 TYR 102 HE1 TYR 102 15.622 10.110 7.892 781 HE2 TYR 102 HE2 TYR 102 17.044 7.457 4.842 782 HH TYR 102 HH TYR 102 18.372 8.326 6.506 783 H ALA 103 H ALA 103 13.283 5.281 5.711 784 HA ALA 103 HA ALA 103 12.088 5.500 8.410 785 HB1 ALA 103 HB1 ALA 103 13.652 3.306 7.121 786 HB2 ALA 103 HB2 ALA 103 12.957 3.305 8.762 787 HB3 ALA 103 HB3 ALA 103 11.881 3.347 7.338 788 H VAL 104 H VAL 104 13.345 6.077 10.052 789 HA VAL 104 HA VAL 104 15.980 7.183 9.178 790 HB VAL 104 HB VAL 104 14.808 7.659 11.906 791 HG11 VAL 104 HG11 VAL 104 15.681 9.562 9.884 792 HG12 VAL 104 HG12 VAL 104 15.374 9.848 11.602 793 HG13 VAL 104 HG13 VAL 104 16.724 8.796 11.113 794 HG21 VAL 104 HG21 VAL 104 12.827 7.519 10.878 795 HG22 VAL 104 HG22 VAL 104 13.132 9.243 11.100 796 HG23 VAL 104 HG23 VAL 104 13.326 8.512 9.484 797 HA PRO 105 HA PRO 105 16.068 3.535 11.309 798 HB2 PRO 105 HB2 PRO 105 18.584 2.380 10.977 799 HB3 PRO 105 HB3 PRO 105 17.357 2.437 9.667 800 HG2 PRO 105 HG2 PRO 105 19.649 4.335 10.186 801 HG3 PRO 105 HG3 PRO 105 19.199 3.506 8.661 802 HD2 PRO 105 HD2 PRO 105 18.433 6.069 9.200 803 HD3 PRO 105 HD3 PRO 105 17.384 4.935 8.284 804 H TRP 106 H TRP 106 18.430 5.958 11.874 805 HA TRP 106 HA TRP 106 19.837 4.993 14.108 806 HB2 TRP 106 HB2 TRP 106 20.293 6.987 12.620 807 HB3 TRP 106 HB3 TRP 106 19.036 7.856 13.494 808 HD1 TRP 106 HD1 TRP 106 20.986 5.783 15.896 809 HE1 TRP 106 HE1 TRP 106 22.695 7.152 17.183 810 HE3 TRP 106 HE3 TRP 106 20.786 10.020 13.034 811 HZ2 TRP 106 HZ2 TRP 106 23.841 9.762 17.011 812 HZ3 TRP 106 HZ3 TRP 106 22.239 11.962 13.665 813 HH2 TRP 106 HH2 TRP 106 23.752 11.817 15.642 814 H GLN 107 H GLN 107 16.613 6.485 13.914 815 HA GLN 107 HA GLN 107 16.464 6.379 16.903 816 HB2 GLN 107 HB2 GLN 107 14.947 7.958 14.823 817 HB3 GLN 107 HB3 GLN 107 14.377 7.791 16.483 818 HG2 GLN 107 HG2 GLN 107 15.501 9.861 16.397 819 HG3 GLN 107 HG3 GLN 107 16.584 8.757 17.250 820 HE21 GLN 107 HE21 GLN 107 18.549 9.551 16.802 821 HE22 GLN 107 HE22 GLN 107 19.175 9.813 15.194 822 H GLY 108 H GLY 108 15.704 4.503 14.244 823 HA2 GLY 108 HA2 GLY 108 14.363 2.629 14.081 824 HA3 GLY 108 HA3 GLY 108 13.902 2.850 15.779 825 H THR 109 H THR 109 13.509 5.563 13.772 826 HA THR 109 HA THR 109 10.546 5.322 13.914 827 HB THR 109 HB THR 109 10.878 7.825 13.173 828 HG1 THR 109 HG1 THR 109 12.897 8.635 13.814 829 HG21 THR 109 HG21 THR 109 11.209 8.537 15.517 830 HG22 THR 109 HG22 THR 109 10.102 7.149 15.441 831 HG23 THR 109 HG23 THR 109 11.797 6.912 15.936 832 H MET 110 H MET 110 9.372 6.287 12.003 833 HA MET 110 HA MET 110 11.044 6.564 9.595 834 HB2 MET 110 HB2 MET 110 9.611 4.977 8.278 835 HB3 MET 110 HB3 MET 110 10.374 4.138 9.623 836 HG2 MET 110 HG2 MET 110 8.131 4.591 10.877 837 HG3 MET 110 HG3 MET 110 7.470 4.835 9.255 838 HE1 MET 110 HE1 MET 110 8.740 2.809 7.349 839 HE2 MET 110 HE2 MET 110 7.885 1.277 7.626 840 HE3 MET 110 HE3 MET 110 6.972 2.800 7.564 841 H THR 111 H THR 111 9.745 7.726 7.882 842 HA THR 111 HA THR 111 7.131 8.866 8.724 843 HB THR 111 HB THR 111 9.603 10.524 8.021 844 HG1 THR 111 HG1 THR 111 8.342 9.816 10.417 845 HG21 THR 111 HG21 THR 111 6.750 11.296 8.646 846 HG22 THR 111 HG22 THR 111 8.121 12.431 8.663 847 HG23 THR 111 HG23 THR 111 7.675 11.606 7.151 848 H LEU 112 H LEU 112 5.831 9.361 6.911 849 HA LEU 112 HA LEU 112 6.665 8.436 4.340 850 HB2 LEU 112 HB2 LEU 112 4.326 8.642 5.280 851 HB3 LEU 112 HB3 LEU 112 4.442 10.377 5.037 852 HG LEU 112 HG LEU 112 4.623 10.001 2.578 853 HD11 LEU 112 HD11 LEU 112 4.174 7.111 3.415 854 HD12 LEU 112 HD12 LEU 112 4.063 7.723 1.744 855 HD13 LEU 112 HD13 LEU 112 5.609 7.769 2.603 856 HD21 LEU 112 HD21 LEU 112 2.253 9.244 2.315 857 HD22 LEU 112 HD22 LEU 112 2.251 8.697 4.002 858 HD23 LEU 112 HD23 LEU 112 2.438 10.425 3.629 859 H SER 113 H SER 113 8.150 9.344 3.113 860 HA SER 113 HA SER 113 8.813 12.203 3.372 861 HB2 SER 113 HB2 SER 113 10.590 10.487 3.272 862 HB3 SER 113 HB3 SER 113 10.017 9.987 1.667 863 HG SER 113 HG SER 113 10.333 12.564 1.488 864 H LYS 114 H LYS 114 7.307 9.982 1.045 865 HA LYS 114 HA LYS 114 6.430 12.350 -0.511 866 HB2 LYS 114 HB2 LYS 114 8.389 11.745 -1.758 867 HB3 LYS 114 HB3 LYS 114 8.024 10.037 -1.624 868 HG2 LYS 114 HG2 LYS 114 7.685 10.814 -3.902 869 HG3 LYS 114 HG3 LYS 114 6.189 10.198 -3.197 870 HD2 LYS 114 HD2 LYS 114 5.133 12.140 -3.456 871 HD3 LYS 114 HD3 LYS 114 6.487 13.085 -2.790 872 HE2 LYS 114 HE2 LYS 114 7.633 12.990 -4.963 873 HE3 LYS 114 HE3 LYS 114 6.317 11.993 -5.624 874 HZ1 LYS 114 HZ1 LYS 114 4.795 13.840 -5.218 875 HZ2 LYS 114 HZ2 LYS 114 6.017 14.768 -4.611 876 HZ3 LYS 114 HZ3 LYS 114 6.029 14.326 -6.200 877 H SER 115 H SER 115 4.418 12.225 -1.044 878 HA SER 115 HA SER 115 3.137 9.573 -1.438 879 HB2 SER 115 HB2 SER 115 1.161 11.338 -0.520 880 HB3 SER 115 HB3 SER 115 1.864 9.994 0.403 881 HG SER 115 HG SER 115 2.083 11.933 1.556 882 H THR 116 H THR 116 2.583 9.588 -3.532 883 HA THR 116 HA THR 116 1.428 12.121 -4.619 884 HB THR 116 HB THR 116 3.827 11.923 -5.375 885 HG1 THR 116 HG1 THR 116 2.094 11.528 -7.577 886 HG21 THR 116 HG21 THR 116 4.386 10.254 -7.080 887 HG22 THR 116 HG22 THR 116 3.977 9.478 -5.534 888 HG23 THR 116 HG23 THR 116 2.800 9.479 -6.867 889 H CYS 117 H CYS 117 -0.210 11.691 -6.234 890 HA CYS 117 HA CYS 117 -1.032 8.861 -6.450 891 HB2 CYS 117 HB2 CYS 117 -2.256 10.941 -4.725 892 HB3 CYS 117 HB3 CYS 117 -3.386 10.001 -5.691 893 H GLN 118 H GLN 118 -3.117 8.637 -7.534 894 HA GLN 118 HA GLN 118 -3.499 10.611 -9.754 895 HB2 GLN 118 HB2 GLN 118 -3.487 7.611 -9.650 896 HB3 GLN 118 HB3 GLN 118 -4.522 8.420 -10.826 897 HG2 GLN 118 HG2 GLN 118 -1.717 9.358 -10.717 898 HG3 GLN 118 HG3 GLN 118 -1.969 7.708 -11.294 899 HE21 GLN 118 HE21 GLN 118 -1.986 10.971 -12.141 900 HE22 GLN 118 HE22 GLN 118 -2.788 10.820 -13.686 901 H ASP 119 H ASP 119 -5.706 10.713 -10.569 902 HA ASP 119 HA ASP 119 -7.683 10.868 -8.464 903 HB2 ASP 119 HB2 ASP 119 -9.160 11.506 -10.374 904 HB3 ASP 119 HB3 ASP 119 -7.649 12.432 -10.341 905 H ALA 120 H ALA 120 -9.615 9.749 -8.262 906 HA ALA 120 HA ALA 120 -10.532 7.670 -10.005 907 HB1 ALA 120 HB1 ALA 120 -9.303 6.851 -7.321 908 HB2 ALA 120 HB2 ALA 120 -10.438 5.842 -8.252 909 HB3 ALA 120 HB3 ALA 120 -8.849 6.248 -8.933 Start of MODEL 18 1 H1 SER 1 H1 SER 1 5.915 -13.055 13.327 2 H2 SER 1 H2 SER 1 4.353 -12.637 13.324 3 H3 SER 1 H3 SER 1 5.424 -11.767 12.481 4 HA SER 1 HA SER 1 4.662 -14.556 11.912 5 HB2 SER 1 HB2 SER 1 4.201 -12.196 10.085 6 HB3 SER 1 HB3 SER 1 3.400 -13.782 10.089 7 HG SER 1 HG SER 1 2.944 -11.510 11.656 8 H SER 2 H SER 2 5.221 -14.530 9.202 9 HA SER 2 HA SER 2 7.033 -15.169 7.920 10 HB2 SER 2 HB2 SER 2 8.337 -13.199 7.142 11 HB3 SER 2 HB3 SER 2 6.584 -12.932 7.157 12 HG SER 2 HG SER 2 8.296 -12.151 9.284 13 HA PRO 3 HA PRO 3 10.180 -15.417 11.326 14 HB2 PRO 3 HB2 PRO 3 10.374 -18.119 11.654 15 HB3 PRO 3 HB3 PRO 3 9.101 -17.151 12.467 16 HG2 PRO 3 HG2 PRO 3 8.930 -18.716 9.898 17 HG3 PRO 3 HG3 PRO 3 7.852 -18.782 11.331 18 HD2 PRO 3 HD2 PRO 3 7.229 -17.293 9.165 19 HD3 PRO 3 HD3 PRO 3 6.869 -16.711 10.829 20 H GLY 4 H GLY 4 12.410 -15.985 11.091 21 HA2 GLY 4 HA2 GLY 4 14.317 -16.640 9.915 22 HA3 GLY 4 HA3 GLY 4 13.273 -17.540 8.788 23 H LYS 5 H LYS 5 14.031 -16.797 6.864 24 HA LYS 5 HA LYS 5 14.580 -15.336 5.164 25 HB2 LYS 5 HB2 LYS 5 12.018 -15.495 5.480 26 HB3 LYS 5 HB3 LYS 5 12.107 -13.824 6.032 27 HG2 LYS 5 HG2 LYS 5 13.028 -13.143 3.857 28 HG3 LYS 5 HG3 LYS 5 13.088 -14.842 3.338 29 HD2 LYS 5 HD2 LYS 5 10.607 -14.993 3.659 30 HD3 LYS 5 HD3 LYS 5 10.574 -13.266 4.055 31 HE2 LYS 5 HE2 LYS 5 11.418 -12.717 1.808 32 HE3 LYS 5 HE3 LYS 5 11.526 -14.447 1.410 33 HZ1 LYS 5 HZ1 LYS 5 9.117 -14.596 1.683 34 HZ2 LYS 5 HZ2 LYS 5 9.014 -13.000 2.096 35 HZ3 LYS 5 HZ3 LYS 5 9.469 -13.429 0.571 36 HA PRO 6 HA PRO 6 15.877 -11.833 7.954 37 HB2 PRO 6 HB2 PRO 6 18.540 -12.231 8.312 38 HB3 PRO 6 HB3 PRO 6 17.315 -13.110 9.287 39 HG2 PRO 6 HG2 PRO 6 18.773 -14.021 6.813 40 HG3 PRO 6 HG3 PRO 6 18.595 -14.861 8.387 41 HD2 PRO 6 HD2 PRO 6 16.975 -15.395 6.256 42 HD3 PRO 6 HD3 PRO 6 16.376 -15.448 7.952 43 HA PRO 7 HA PRO 7 17.517 -9.690 4.414 44 HB2 PRO 7 HB2 PRO 7 18.164 -7.262 5.453 45 HB3 PRO 7 HB3 PRO 7 16.455 -7.787 5.295 46 HG2 PRO 7 HG2 PRO 7 18.256 -7.898 7.708 47 HG3 PRO 7 HG3 PRO 7 16.594 -7.246 7.576 48 HD2 PRO 7 HD2 PRO 7 17.120 -9.750 8.509 49 HD3 PRO 7 HD3 PRO 7 15.639 -9.375 7.560 50 H ARG 8 H ARG 8 19.585 -9.028 3.524 51 HA ARG 8 HA ARG 8 21.885 -10.131 4.976 52 HB2 ARG 8 HB2 ARG 8 21.543 -10.412 2.513 53 HB3 ARG 8 HB3 ARG 8 21.724 -8.667 2.308 54 HG2 ARG 8 HG2 ARG 8 23.768 -9.847 1.662 55 HG3 ARG 8 HG3 ARG 8 24.062 -8.780 3.038 56 HD2 ARG 8 HD2 ARG 8 23.964 -10.688 4.576 57 HD3 ARG 8 HD3 ARG 8 23.615 -11.780 3.217 58 HE ARG 8 HE ARG 8 25.989 -10.388 2.602 59 HH11 ARG 8 HH11 ARG 8 24.942 -12.738 5.018 60 HH12 ARG 8 HH12 ARG 8 26.542 -13.405 5.199 61 HH21 ARG 8 HH21 ARG 8 28.003 -11.287 2.887 62 HH22 ARG 8 HH22 ARG 8 28.241 -12.597 4.011 63 H LEU 9 H LEU 9 20.422 -7.050 4.534 64 HA LEU 9 HA LEU 9 21.020 -4.887 5.028 65 HB2 LEU 9 HB2 LEU 9 23.110 -6.080 6.851 66 HB3 LEU 9 HB3 LEU 9 22.652 -4.400 6.793 67 HG LEU 9 HG LEU 9 21.684 -5.092 8.720 68 HD11 LEU 9 HD11 LEU 9 19.279 -5.070 8.455 69 HD12 LEU 9 HD12 LEU 9 20.007 -3.972 7.266 70 HD13 LEU 9 HD13 LEU 9 19.412 -5.570 6.756 71 HD21 LEU 9 HD21 LEU 9 20.519 -7.173 9.130 72 HD22 LEU 9 HD22 LEU 9 20.680 -7.639 7.425 73 HD23 LEU 9 HD23 LEU 9 22.123 -7.503 8.447 74 H VAL 10 H VAL 10 22.698 -6.670 3.065 75 HA VAL 10 HA VAL 10 23.800 -4.080 2.251 76 HB VAL 10 HB VAL 10 25.606 -6.402 1.807 77 HG11 VAL 10 HG11 VAL 10 25.903 -4.259 0.880 78 HG12 VAL 10 HG12 VAL 10 25.739 -3.533 2.512 79 HG13 VAL 10 HG13 VAL 10 27.177 -4.537 2.099 80 HG21 VAL 10 HG21 VAL 10 26.834 -6.106 3.943 81 HG22 VAL 10 HG22 VAL 10 25.540 -5.056 4.551 82 HG23 VAL 10 HG23 VAL 10 25.215 -6.776 4.210 83 H GLY 11 H GLY 11 23.660 -3.922 -0.011 84 HA2 GLY 11 HA2 GLY 11 23.773 -5.679 -2.009 85 HA3 GLY 11 HA3 GLY 11 22.208 -6.144 -1.299 86 H GLY 12 H GLY 12 21.574 -5.413 -3.579 87 HA2 GLY 12 HA2 GLY 12 21.299 -2.467 -3.786 88 HA3 GLY 12 HA3 GLY 12 20.899 -3.672 -5.032 89 HA PRO 13 HA PRO 13 17.034 -2.586 -2.724 90 HB2 PRO 13 HB2 PRO 13 15.361 -2.149 -4.842 91 HB3 PRO 13 HB3 PRO 13 16.433 -0.865 -4.193 92 HG2 PRO 13 HG2 PRO 13 16.896 -2.705 -6.535 93 HG3 PRO 13 HG3 PRO 13 17.043 -0.919 -6.461 94 HD2 PRO 13 HD2 PRO 13 19.202 -2.529 -6.216 95 HD3 PRO 13 HD3 PRO 13 19.051 -1.022 -5.244 96 H MET 14 H MET 14 15.241 -3.990 -2.420 97 HA MET 14 HA MET 14 15.127 -6.414 -4.156 98 HB2 MET 14 HB2 MET 14 15.116 -7.872 -2.217 99 HB3 MET 14 HB3 MET 14 16.609 -6.929 -2.223 100 HG2 MET 14 HG2 MET 14 15.699 -5.425 -0.477 101 HG3 MET 14 HG3 MET 14 14.161 -6.302 -0.492 102 HE1 MET 14 HE1 MET 14 14.825 -9.403 -0.547 103 HE2 MET 14 HE2 MET 14 14.904 -9.691 1.205 104 HE3 MET 14 HE3 MET 14 13.679 -8.585 0.538 105 H ASP 15 H ASP 15 13.035 -7.263 -4.363 106 HA ASP 15 HA ASP 15 10.884 -5.667 -3.151 107 HB2 ASP 15 HB2 ASP 15 10.938 -7.954 -5.127 108 HB3 ASP 15 HB3 ASP 15 9.439 -7.459 -4.322 109 H ALA 16 H ALA 16 9.423 -6.506 -1.584 110 HA ALA 16 HA ALA 16 10.277 -9.054 -0.221 111 HB1 ALA 16 HB1 ALA 16 9.327 -7.946 1.831 112 HB2 ALA 16 HB2 ALA 16 10.870 -7.276 1.241 113 HB3 ALA 16 HB3 ALA 16 9.345 -6.419 0.915 114 H SER 17 H SER 17 8.482 -10.133 0.686 115 HA SER 17 HA SER 17 6.240 -10.165 -1.208 116 HB2 SER 17 HB2 SER 17 6.628 -11.695 1.399 117 HB3 SER 17 HB3 SER 17 5.416 -12.055 0.155 118 HG SER 17 HG SER 17 6.991 -12.714 -1.207 119 H VAL 18 H VAL 18 3.975 -9.822 -0.591 120 HA VAL 18 HA VAL 18 3.656 -7.475 1.037 121 HB VAL 18 HB VAL 18 1.258 -7.727 0.643 122 HG11 VAL 18 HG11 VAL 18 1.260 -7.703 -1.780 123 HG12 VAL 18 HG12 VAL 18 2.760 -6.944 -1.204 124 HG13 VAL 18 HG13 VAL 18 2.788 -8.610 -1.833 125 HG21 VAL 18 HG21 VAL 18 1.921 -10.520 -0.436 126 HG22 VAL 18 HG22 VAL 18 0.966 -10.145 1.016 127 HG23 VAL 18 HG23 VAL 18 0.347 -9.710 -0.584 128 H GLU 19 H GLU 19 3.716 -10.845 1.670 129 HA GLU 19 HA GLU 19 2.338 -10.775 4.210 130 HB2 GLU 19 HB2 GLU 19 4.154 -12.700 2.780 131 HB3 GLU 19 HB3 GLU 19 3.491 -13.040 4.394 132 HG2 GLU 19 HG2 GLU 19 1.535 -13.650 3.536 133 HG3 GLU 19 HG3 GLU 19 1.403 -12.135 2.623 134 H GLU 20 H GLU 20 5.685 -10.131 3.170 135 HA GLU 20 HA GLU 20 6.812 -10.463 5.693 136 HB2 GLU 20 HB2 GLU 20 7.644 -8.749 3.430 137 HB3 GLU 20 HB3 GLU 20 8.233 -8.314 5.044 138 HG2 GLU 20 HG2 GLU 20 9.744 -9.695 4.316 139 HG3 GLU 20 HG3 GLU 20 8.654 -10.625 5.389 140 H GLU 21 H GLU 21 7.186 -9.586 7.466 141 HA GLU 21 HA GLU 21 5.190 -7.790 7.948 142 HB2 GLU 21 HB2 GLU 21 7.339 -8.790 9.754 143 HB3 GLU 21 HB3 GLU 21 6.156 -7.586 10.308 144 HG2 GLU 21 HG2 GLU 21 4.328 -9.130 9.570 145 HG3 GLU 21 HG3 GLU 21 5.558 -10.360 9.247 146 H GLY 22 H GLY 22 8.399 -7.401 7.040 147 HA2 GLY 22 HA2 GLY 22 8.744 -4.649 7.795 148 HA3 GLY 22 HA3 GLY 22 9.605 -5.499 6.491 149 H VAL 23 H VAL 23 6.933 -6.284 5.240 150 HA VAL 23 HA VAL 23 6.462 -3.745 3.805 151 HB VAL 23 HB VAL 23 5.399 -6.575 3.363 152 HG11 VAL 23 HG11 VAL 23 4.660 -5.600 1.128 153 HG12 VAL 23 HG12 VAL 23 3.693 -5.217 2.556 154 HG13 VAL 23 HG13 VAL 23 4.823 -4.003 1.897 155 HG21 VAL 23 HG21 VAL 23 6.774 -6.461 1.320 156 HG22 VAL 23 HG22 VAL 23 7.367 -4.866 1.826 157 HG23 VAL 23 HG23 VAL 23 7.739 -6.318 2.796 158 H ARG 24 H ARG 24 4.639 -6.166 5.762 159 HA ARG 24 HA ARG 24 2.099 -5.010 5.590 160 HB2 ARG 24 HB2 ARG 24 3.487 -6.404 7.899 161 HB3 ARG 24 HB3 ARG 24 1.798 -5.927 7.967 162 HG2 ARG 24 HG2 ARG 24 3.014 -7.902 5.986 163 HG3 ARG 24 HG3 ARG 24 2.019 -8.299 7.397 164 HD2 ARG 24 HD2 ARG 24 1.209 -6.888 4.857 165 HD3 ARG 24 HD3 ARG 24 0.603 -8.427 5.473 166 HE ARG 24 HE ARG 24 -0.077 -5.673 6.446 167 HH11 ARG 24 HH11 ARG 24 -0.707 -9.139 6.723 168 HH12 ARG 24 HH12 ARG 24 -2.154 -8.881 7.660 169 HH21 ARG 24 HH21 ARG 24 -1.873 -5.411 7.650 170 HH22 ARG 24 HH22 ARG 24 -2.812 -6.801 8.168 171 H ARG 25 H ARG 25 4.681 -4.155 7.919 172 HA ARG 25 HA ARG 25 3.062 -2.223 9.278 173 HB2 ARG 25 HB2 ARG 25 5.118 -1.392 10.203 174 HB3 ARG 25 HB3 ARG 25 5.120 -3.150 10.199 175 HG2 ARG 25 HG2 ARG 25 7.242 -2.905 9.464 176 HG3 ARG 25 HG3 ARG 25 6.469 -2.717 7.887 177 HD2 ARG 25 HD2 ARG 25 8.139 -0.961 8.219 178 HD3 ARG 25 HD3 ARG 25 6.524 -0.253 8.157 179 HE ARG 25 HE ARG 25 6.662 0.350 10.403 180 HH11 ARG 25 HH11 ARG 25 9.520 -1.559 9.578 181 HH12 ARG 25 HH12 ARG 25 10.363 -1.078 11.028 182 HH21 ARG 25 HH21 ARG 25 7.802 0.909 12.217 183 HH22 ARG 25 HH22 ARG 25 9.408 0.291 12.490 184 H ALA 26 H ALA 26 4.718 -2.014 6.249 185 HA ALA 26 HA ALA 26 4.699 0.897 6.171 186 HB1 ALA 26 HB1 ALA 26 5.634 0.554 3.896 187 HB2 ALA 26 HB2 ALA 26 6.580 -0.309 5.132 188 HB3 ALA 26 HB3 ALA 26 5.449 -1.197 4.082 189 H LEU 27 H LEU 27 2.959 -1.930 4.893 190 HA LEU 27 HA LEU 27 1.300 -0.624 2.999 191 HB2 LEU 27 HB2 LEU 27 0.519 -2.898 4.901 192 HB3 LEU 27 HB3 LEU 27 -0.350 -2.416 3.467 193 HG LEU 27 HG LEU 27 2.233 -3.952 3.654 194 HD11 LEU 27 HD11 LEU 27 0.960 -5.636 2.462 195 HD12 LEU 27 HD12 LEU 27 0.023 -5.123 3.880 196 HD13 LEU 27 HD13 LEU 27 -0.417 -4.525 2.265 197 HD21 LEU 27 HD21 LEU 27 2.626 -2.410 1.954 198 HD22 LEU 27 HD22 LEU 27 2.115 -3.915 1.165 199 HD23 LEU 27 HD23 LEU 27 0.968 -2.562 1.322 200 H ASP 28 H ASP 28 0.570 -1.507 6.368 201 HA ASP 28 HA ASP 28 -1.968 -0.128 6.217 202 HB2 ASP 28 HB2 ASP 28 -0.368 -1.364 8.503 203 HB3 ASP 28 HB3 ASP 28 -2.030 -0.753 8.661 204 H PHE 29 H PHE 29 1.299 0.730 7.263 205 HA PHE 29 HA PHE 29 0.508 3.134 8.668 206 HB2 PHE 29 HB2 PHE 29 2.712 2.131 8.963 207 HB3 PHE 29 HB3 PHE 29 3.077 2.368 7.249 208 HD1 PHE 29 HD1 PHE 29 2.758 3.992 10.543 209 HD2 PHE 29 HD2 PHE 29 3.589 4.615 6.369 210 HE1 PHE 29 HE1 PHE 29 3.726 6.227 11.067 211 HE2 PHE 29 HE2 PHE 29 4.561 6.842 6.887 212 HZ PHE 29 HZ PHE 29 4.634 7.651 9.238 213 H ALA 30 H ALA 30 1.551 2.395 5.268 214 HA ALA 30 HA ALA 30 1.558 5.103 4.401 215 HB1 ALA 30 HB1 ALA 30 2.332 3.219 3.002 216 HB2 ALA 30 HB2 ALA 30 0.645 2.664 2.814 217 HB3 ALA 30 HB3 ALA 30 1.152 4.227 2.131 218 H VAL 31 H VAL 31 -1.248 2.885 4.453 219 HA VAL 31 HA VAL 31 -3.131 4.720 3.207 220 HB VAL 31 HB VAL 31 -4.144 2.853 5.257 221 HG11 VAL 31 HG11 VAL 31 -5.575 2.036 3.533 222 HG12 VAL 31 HG12 VAL 31 -5.654 3.790 3.788 223 HG13 VAL 31 HG13 VAL 31 -4.769 3.139 2.386 224 HG21 VAL 31 HG21 VAL 31 -3.609 0.846 4.127 225 HG22 VAL 31 HG22 VAL 31 -2.435 1.783 3.157 226 HG23 VAL 31 HG23 VAL 31 -2.303 1.746 4.951 227 H GLY 32 H GLY 32 -2.142 3.725 6.471 228 HA2 GLY 32 HA2 GLY 32 -4.224 5.029 7.862 229 HA3 GLY 32 HA3 GLY 32 -2.640 4.597 8.532 230 H GLU 33 H GLU 33 -1.120 6.020 6.565 231 HA GLU 33 HA GLU 33 -1.359 8.646 8.005 232 HB2 GLU 33 HB2 GLU 33 0.780 7.446 7.831 233 HB3 GLU 33 HB3 GLU 33 0.781 7.699 6.083 234 HG2 GLU 33 HG2 GLU 33 1.353 9.882 6.273 235 HG3 GLU 33 HG3 GLU 33 0.414 10.107 7.756 236 H TYR 34 H TYR 34 -1.953 7.307 4.905 237 HA TYR 34 HA TYR 34 -2.062 9.940 3.769 238 HB2 TYR 34 HB2 TYR 34 -1.083 8.172 2.403 239 HB3 TYR 34 HB3 TYR 34 -2.646 7.336 2.359 240 HD1 TYR 34 HD1 TYR 34 -1.007 10.624 1.517 241 HD2 TYR 34 HD2 TYR 34 -4.227 7.901 0.667 242 HE1 TYR 34 HE1 TYR 34 -1.712 12.048 -0.406 243 HE2 TYR 34 HE2 TYR 34 -4.935 9.342 -1.242 244 HH TYR 34 HH TYR 34 -4.553 11.262 -2.415 245 H ASN 35 H ASN 35 -4.248 7.257 3.902 246 HA ASN 35 HA ASN 35 -6.522 8.839 3.002 247 HB2 ASN 35 HB2 ASN 35 -5.997 5.933 3.712 248 HB3 ASN 35 HB3 ASN 35 -7.637 6.525 3.348 249 HD21 ASN 35 HD21 ASN 35 -7.519 8.070 1.265 250 HD22 ASN 35 HD22 ASN 35 -6.732 7.299 -0.092 251 H LYS 36 H LYS 36 -5.728 6.877 5.881 252 HA LYS 36 HA LYS 36 -8.184 7.607 7.255 253 HB2 LYS 36 HB2 LYS 36 -7.099 5.550 7.823 254 HB3 LYS 36 HB3 LYS 36 -5.568 6.368 8.047 255 HG2 LYS 36 HG2 LYS 36 -7.774 7.176 9.894 256 HG3 LYS 36 HG3 LYS 36 -7.056 5.570 10.129 257 HD2 LYS 36 HD2 LYS 36 -5.043 6.412 10.840 258 HD3 LYS 36 HD3 LYS 36 -5.086 7.733 9.675 259 HE2 LYS 36 HE2 LYS 36 -5.149 8.688 11.877 260 HE3 LYS 36 HE3 LYS 36 -6.706 8.962 11.080 261 HZ1 LYS 36 HZ1 LYS 36 -7.609 7.124 12.351 262 HZ2 LYS 36 HZ2 LYS 36 -6.156 6.867 13.094 263 HZ3 LYS 36 HZ3 LYS 36 -6.984 8.269 13.359 264 H ALA 37 H ALA 37 -4.937 8.941 7.035 265 HA ALA 37 HA ALA 37 -5.188 10.637 9.345 266 HB1 ALA 37 HB1 ALA 37 -3.460 11.133 6.963 267 HB2 ALA 37 HB2 ALA 37 -3.181 11.594 8.657 268 HB3 ALA 37 HB3 ALA 37 -3.074 9.881 8.167 269 H SER 38 H SER 38 -5.955 10.806 5.901 270 HA SER 38 HA SER 38 -6.693 13.637 5.953 271 HB2 SER 38 HB2 SER 38 -5.951 12.496 3.882 272 HB3 SER 38 HB3 SER 38 -7.380 11.444 3.958 273 HG SER 38 HG SER 38 -7.650 13.268 2.571 274 H ASN 39 H ASN 39 -8.836 14.470 5.796 275 HA ASN 39 HA ASN 39 -10.804 12.907 7.342 276 HB2 ASN 39 HB2 ASN 39 -10.254 15.372 7.706 277 HB3 ASN 39 HB3 ASN 39 -11.106 15.680 6.186 278 HD21 ASN 39 HD21 ASN 39 -13.050 16.489 6.620 279 HD22 ASN 39 HD22 ASN 39 -14.128 15.922 7.871 280 H ASP 40 H ASP 40 -10.491 11.566 5.106 281 HA ASP 40 HA ASP 40 -12.088 12.442 2.876 282 HB2 ASP 40 HB2 ASP 40 -10.298 10.627 2.874 283 HB3 ASP 40 HB3 ASP 40 -11.490 9.563 3.635 284 H MET 41 H MET 41 -14.197 12.449 2.593 285 HA MET 41 HA MET 41 -16.040 11.784 4.715 286 HB2 MET 41 HB2 MET 41 -16.517 12.374 1.766 287 HB3 MET 41 HB3 MET 41 -17.762 12.351 3.024 288 HG2 MET 41 HG2 MET 41 -16.582 14.212 4.187 289 HG3 MET 41 HG3 MET 41 -15.427 14.285 2.846 290 HE1 MET 41 HE1 MET 41 -15.907 15.245 0.492 291 HE2 MET 41 HE2 MET 41 -17.102 13.966 0.168 292 HE3 MET 41 HE3 MET 41 -17.521 15.668 -0.127 293 H TYR 42 H TYR 42 -14.594 10.031 2.129 294 HA TYR 42 HA TYR 42 -16.635 7.845 2.385 295 HB2 TYR 42 HB2 TYR 42 -14.686 8.304 0.114 296 HB3 TYR 42 HB3 TYR 42 -16.097 7.235 0.134 297 HD1 TYR 42 HD1 TYR 42 -14.849 10.570 -0.587 298 HD2 TYR 42 HD2 TYR 42 -18.444 8.341 0.225 299 HE1 TYR 42 HE1 TYR 42 -16.220 12.417 -1.556 300 HE2 TYR 42 HE2 TYR 42 -19.805 10.201 -0.737 301 HH TYR 42 HH TYR 42 -19.781 12.291 -1.672 302 H HIS 43 H HIS 43 -15.570 5.613 2.121 303 HA HIS 43 HA HIS 43 -13.019 5.697 3.622 304 HB2 HIS 43 HB2 HIS 43 -14.925 4.025 4.103 305 HB3 HIS 43 HB3 HIS 43 -14.448 3.224 2.602 306 HD1 HIS 43 HD1 HIS 43 -11.344 4.348 3.968 307 HD2 HIS 43 HD2 HIS 43 -13.977 1.262 4.886 308 HE1 HIS 43 HE1 HIS 43 -10.046 2.670 5.333 309 H SER 44 H SER 44 -11.263 6.093 2.348 310 HA SER 44 HA SER 44 -11.107 4.565 -0.221 311 HB2 SER 44 HB2 SER 44 -9.557 7.003 0.732 312 HB3 SER 44 HB3 SER 44 -9.246 6.121 -0.778 313 HG SER 44 HG SER 44 -11.204 7.952 -0.147 314 H ARG 45 H ARG 45 -9.537 3.041 -0.376 315 HA ARG 45 HA ARG 45 -7.562 2.836 1.850 316 HB2 ARG 45 HB2 ARG 45 -9.922 1.356 1.795 317 HB3 ARG 45 HB3 ARG 45 -8.770 0.256 1.035 318 HG2 ARG 45 HG2 ARG 45 -7.891 1.580 3.560 319 HG3 ARG 45 HG3 ARG 45 -9.201 0.397 3.699 320 HD2 ARG 45 HD2 ARG 45 -7.815 -1.325 2.647 321 HD3 ARG 45 HD3 ARG 45 -6.513 -0.147 2.392 322 HE ARG 45 HE ARG 45 -7.326 -0.315 5.165 323 HH11 ARG 45 HH11 ARG 45 -5.245 -1.883 2.765 324 HH12 ARG 45 HH12 ARG 45 -4.158 -2.482 3.999 325 HH21 ARG 45 HH21 ARG 45 -5.908 -1.137 6.643 326 HH22 ARG 45 HH22 ARG 45 -4.509 -2.063 6.142 327 H ALA 46 H ALA 46 -5.785 1.421 1.357 328 HA ALA 46 HA ALA 46 -4.996 1.281 -1.424 329 HB1 ALA 46 HB1 ALA 46 -3.248 1.359 0.364 330 HB2 ALA 46 HB2 ALA 46 -3.905 -0.119 1.105 331 HB3 ALA 46 HB3 ALA 46 -3.123 -0.196 -0.514 332 H LEU 47 H LEU 47 -6.373 0.137 -2.665 333 HA LEU 47 HA LEU 47 -7.924 -2.123 -1.759 334 HB2 LEU 47 HB2 LEU 47 -7.227 -0.794 -4.372 335 HB3 LEU 47 HB3 LEU 47 -7.930 -2.395 -4.420 336 HG LEU 47 HG LEU 47 -9.283 0.045 -3.256 337 HD11 LEU 47 HD11 LEU 47 -9.415 -1.486 -5.883 338 HD12 LEU 47 HD12 LEU 47 -10.631 -0.283 -5.375 339 HD13 LEU 47 HD13 LEU 47 -8.940 0.205 -5.635 340 HD21 LEU 47 HD21 LEU 47 -10.213 -2.825 -3.739 341 HD22 LEU 47 HD22 LEU 47 -10.114 -1.982 -2.177 342 HD23 LEU 47 HD23 LEU 47 -11.304 -1.462 -3.384 343 H GLN 48 H GLN 48 -5.072 -1.725 -3.812 344 HA GLN 48 HA GLN 48 -4.375 -4.575 -3.482 345 HB2 GLN 48 HB2 GLN 48 -5.963 -4.395 -5.399 346 HB3 GLN 48 HB3 GLN 48 -4.940 -3.156 -6.121 347 HG2 GLN 48 HG2 GLN 48 -3.129 -4.735 -6.470 348 HG3 GLN 48 HG3 GLN 48 -3.993 -5.988 -5.567 349 HE21 GLN 48 HE21 GLN 48 -5.688 -3.841 -7.819 350 HE22 GLN 48 HE22 GLN 48 -5.979 -5.087 -9.012 351 H VAL 49 H VAL 49 -2.197 -4.692 -3.227 352 HA VAL 49 HA VAL 49 -0.617 -2.317 -3.807 353 HB VAL 49 HB VAL 49 -0.077 -4.852 -2.299 354 HG11 VAL 49 HG11 VAL 49 2.370 -4.433 -2.297 355 HG12 VAL 49 HG12 VAL 49 1.807 -4.893 -3.908 356 HG13 VAL 49 HG13 VAL 49 2.164 -3.184 -3.543 357 HG21 VAL 49 HG21 VAL 49 0.810 -1.899 -1.911 358 HG22 VAL 49 HG22 VAL 49 -0.658 -2.656 -1.205 359 HG23 VAL 49 HG23 VAL 49 0.940 -3.250 -0.735 360 H VAL 50 H VAL 50 0.598 -1.972 -5.530 361 HA VAL 50 HA VAL 50 0.473 -3.979 -7.702 362 HB VAL 50 HB VAL 50 1.667 -1.164 -7.783 363 HG11 VAL 50 HG11 VAL 50 2.252 -2.699 -9.659 364 HG12 VAL 50 HG12 VAL 50 0.527 -2.941 -9.988 365 HG13 VAL 50 HG13 VAL 50 1.263 -1.331 -10.200 366 HG21 VAL 50 HG21 VAL 50 -1.187 -2.050 -8.302 367 HG22 VAL 50 HG22 VAL 50 -0.618 -0.900 -7.068 368 HG23 VAL 50 HG23 VAL 50 -0.515 -0.474 -8.783 369 H ARG 51 H ARG 51 2.803 -2.166 -5.675 370 HA ARG 51 HA ARG 51 4.917 -4.175 -6.350 371 HB2 ARG 51 HB2 ARG 51 5.477 -1.191 -6.359 372 HB3 ARG 51 HB3 ARG 51 6.575 -2.478 -6.827 373 HG2 ARG 51 HG2 ARG 51 4.070 -1.710 -8.379 374 HG3 ARG 51 HG3 ARG 51 5.683 -1.088 -8.727 375 HD2 ARG 51 HD2 ARG 51 6.489 -3.213 -9.394 376 HD3 ARG 51 HD3 ARG 51 5.122 -4.047 -8.643 377 HE ARG 51 HE ARG 51 3.859 -3.738 -10.502 378 HH11 ARG 51 HH11 ARG 51 6.585 -1.505 -10.776 379 HH12 ARG 51 HH12 ARG 51 6.189 -1.085 -12.421 380 HH21 ARG 51 HH21 ARG 51 3.417 -3.145 -12.584 381 HH22 ARG 51 HH22 ARG 51 4.417 -1.985 -13.418 382 H ALA 52 H ALA 52 6.376 -4.493 -4.603 383 HA ALA 52 HA ALA 52 6.301 -2.568 -2.362 384 HB1 ALA 52 HB1 ALA 52 5.891 -4.398 -0.706 385 HB2 ALA 52 HB2 ALA 52 4.498 -4.178 -1.785 386 HB3 ALA 52 HB3 ALA 52 5.616 -5.541 -2.041 387 H ARG 53 H ARG 53 8.339 -2.071 -2.095 388 HA ARG 53 HA ARG 53 10.300 -4.264 -1.872 389 HB2 ARG 53 HB2 ARG 53 11.800 -3.328 -3.564 390 HB3 ARG 53 HB3 ARG 53 10.296 -3.874 -4.255 391 HG2 ARG 53 HG2 ARG 53 10.564 -1.053 -3.496 392 HG3 ARG 53 HG3 ARG 53 11.426 -1.627 -4.927 393 HD2 ARG 53 HD2 ARG 53 8.481 -1.841 -4.388 394 HD3 ARG 53 HD3 ARG 53 9.248 -0.699 -5.494 395 HE ARG 53 HE ARG 53 9.125 -3.689 -5.823 396 HH11 ARG 53 HH11 ARG 53 9.649 -0.527 -7.344 397 HH12 ARG 53 HH12 ARG 53 9.820 -1.239 -8.925 398 HH21 ARG 53 HH21 ARG 53 9.362 -4.493 -7.785 399 HH22 ARG 53 HH22 ARG 53 9.622 -3.469 -9.184 400 H LYS 54 H LYS 54 12.490 -3.481 -1.546 401 HA LYS 54 HA LYS 54 12.420 -1.018 0.094 402 HB2 LYS 54 HB2 LYS 54 13.523 -3.802 0.734 403 HB3 LYS 54 HB3 LYS 54 13.993 -2.363 1.650 404 HG2 LYS 54 HG2 LYS 54 12.268 -2.639 2.934 405 HG3 LYS 54 HG3 LYS 54 11.210 -2.301 1.564 406 HD2 LYS 54 HD2 LYS 54 11.187 -4.803 1.043 407 HD3 LYS 54 HD3 LYS 54 12.068 -5.047 2.570 408 HE2 LYS 54 HE2 LYS 54 9.327 -3.820 2.148 409 HE3 LYS 54 HE3 LYS 54 9.732 -5.287 3.055 410 HZ1 LYS 54 HZ1 LYS 54 9.280 -3.393 4.513 411 HZ2 LYS 54 HZ2 LYS 54 10.848 -3.888 4.691 412 HZ3 LYS 54 HZ3 LYS 54 10.502 -2.525 3.829 413 H GLN 55 H GLN 55 14.196 0.255 -0.001 414 HA GLN 55 HA GLN 55 16.364 -0.571 -1.873 415 HB2 GLN 55 HB2 GLN 55 15.189 1.615 -2.188 416 HB3 GLN 55 HB3 GLN 55 15.727 2.106 -0.578 417 HG2 GLN 55 HG2 GLN 55 18.088 1.935 -1.310 418 HG3 GLN 55 HG3 GLN 55 17.557 1.422 -2.918 419 HE21 GLN 55 HE21 GLN 55 18.903 3.302 -3.543 420 HE22 GLN 55 HE22 GLN 55 18.137 4.872 -3.574 421 H ILE 56 H ILE 56 18.340 -1.119 -1.080 422 HA ILE 56 HA ILE 56 18.821 -0.827 1.837 423 HB ILE 56 HB ILE 56 20.222 -2.501 -0.264 424 HG12 ILE 56 HG12 ILE 56 18.259 -3.135 1.979 425 HG13 ILE 56 HG13 ILE 56 17.945 -3.257 0.245 426 HG21 ILE 56 HG21 ILE 56 20.641 -2.376 2.784 427 HG22 ILE 56 HG22 ILE 56 21.443 -3.507 1.669 428 HG23 ILE 56 HG23 ILE 56 21.788 -1.783 1.558 429 HD11 ILE 56 HD11 ILE 56 18.275 -5.433 1.038 430 HD12 ILE 56 HD12 ILE 56 19.751 -4.996 0.148 431 HD13 ILE 56 HD13 ILE 56 19.738 -4.969 1.929 432 H GLY 57 H GLY 57 20.525 0.506 2.569 433 HA2 GLY 57 HA2 GLY 57 22.754 1.337 1.136 434 HA3 GLY 57 HA3 GLY 57 21.488 2.529 0.759 435 H ALA 58 H ALA 58 22.878 4.086 1.923 436 HA ALA 58 HA ALA 58 23.325 3.782 4.775 437 HB1 ALA 58 HB1 ALA 58 24.782 5.185 3.338 438 HB2 ALA 58 HB2 ALA 58 23.409 6.271 3.004 439 HB3 ALA 58 HB3 ALA 58 24.059 6.137 4.654 440 H GLY 59 H GLY 59 20.552 4.186 3.055 441 HA2 GLY 59 HA2 GLY 59 19.050 5.020 5.419 442 HA3 GLY 59 HA3 GLY 59 18.877 6.067 3.967 443 H VAL 60 H VAL 60 16.728 4.313 4.927 444 HA VAL 60 HA VAL 60 16.791 2.226 2.769 445 HB VAL 60 HB VAL 60 15.582 2.093 5.571 446 HG11 VAL 60 HG11 VAL 60 14.071 0.985 4.006 447 HG12 VAL 60 HG12 VAL 60 15.426 0.066 3.305 448 HG13 VAL 60 HG13 VAL 60 14.918 -0.226 4.984 449 HG21 VAL 60 HG21 VAL 60 17.827 0.497 4.265 450 HG22 VAL 60 HG22 VAL 60 18.006 1.702 5.560 451 HG23 VAL 60 HG23 VAL 60 17.149 0.184 5.880 452 H ASN 61 H ASN 61 15.244 2.513 1.261 453 HA ASN 61 HA ASN 61 12.883 4.188 2.059 454 HB2 ASN 61 HB2 ASN 61 14.316 3.828 -0.568 455 HB3 ASN 61 HB3 ASN 61 12.620 4.310 -0.524 456 HD21 ASN 61 HD21 ASN 61 15.639 5.487 -0.788 457 HD22 ASN 61 HD22 ASN 61 15.380 7.082 -0.104 458 H TYR 62 H TYR 62 11.061 3.188 2.301 459 HA TYR 62 HA TYR 62 10.658 0.493 1.092 460 HB2 TYR 62 HB2 TYR 62 8.802 2.157 2.850 461 HB3 TYR 62 HB3 TYR 62 8.569 0.477 2.388 462 HD1 TYR 62 HD1 TYR 62 8.749 1.916 5.226 463 HD2 TYR 62 HD2 TYR 62 11.507 -0.437 2.908 464 HE1 TYR 62 HE1 TYR 62 9.902 1.204 7.312 465 HE2 TYR 62 HE2 TYR 62 12.640 -1.162 5.011 466 HH TYR 62 HH TYR 62 11.695 0.085 8.203 467 H PHE 63 H PHE 63 10.027 0.589 -1.000 468 HA PHE 63 HA PHE 63 8.342 2.895 -1.890 469 HB2 PHE 63 HB2 PHE 63 9.907 0.756 -3.356 470 HB3 PHE 63 HB3 PHE 63 8.782 1.845 -4.164 471 HD1 PHE 63 HD1 PHE 63 12.114 1.487 -2.696 472 HD2 PHE 63 HD2 PHE 63 9.239 4.295 -4.235 473 HE1 PHE 63 HE1 PHE 63 13.917 3.190 -2.957 474 HE2 PHE 63 HE2 PHE 63 11.038 5.997 -4.497 475 HZ PHE 63 HZ PHE 63 13.379 5.452 -3.840 476 H LEU 64 H LEU 64 6.234 2.585 -1.796 477 HA LEU 64 HA LEU 64 5.180 -0.184 -2.192 478 HB2 LEU 64 HB2 LEU 64 5.313 0.638 0.212 479 HB3 LEU 64 HB3 LEU 64 4.160 1.887 -0.210 480 HG LEU 64 HG LEU 64 3.367 -0.247 1.010 481 HD11 LEU 64 HD11 LEU 64 1.187 -0.186 -0.048 482 HD12 LEU 64 HD12 LEU 64 1.845 1.460 0.047 483 HD13 LEU 64 HD13 LEU 64 1.866 0.583 -1.500 484 HD21 LEU 64 HD21 LEU 64 2.858 -2.160 -0.358 485 HD22 LEU 64 HD22 LEU 64 3.363 -1.346 -1.826 486 HD23 LEU 64 HD23 LEU 64 4.565 -1.784 -0.586 487 H ASP 65 H ASP 65 4.060 -0.207 -3.989 488 HA ASP 65 HA ASP 65 2.485 2.265 -4.711 489 HB2 ASP 65 HB2 ASP 65 3.508 -0.011 -6.498 490 HB3 ASP 65 HB3 ASP 65 2.560 1.377 -7.042 491 H VAL 66 H VAL 66 0.635 2.215 -5.234 492 HA VAL 66 HA VAL 66 -1.018 -0.081 -4.740 493 HB VAL 66 HB VAL 66 -0.136 1.454 -2.525 494 HG11 VAL 66 HG11 VAL 66 -2.154 2.824 -3.054 495 HG12 VAL 66 HG12 VAL 66 -3.134 1.336 -2.918 496 HG13 VAL 66 HG13 VAL 66 -2.221 1.973 -1.517 497 HG21 VAL 66 HG21 VAL 66 -2.201 -0.618 -2.771 498 HG22 VAL 66 HG22 VAL 66 -0.449 -0.794 -2.809 499 HG23 VAL 66 HG23 VAL 66 -1.186 -0.161 -1.361 500 H GLU 67 H GLU 67 -2.997 -0.147 -5.145 501 HA GLU 67 HA GLU 67 -4.092 2.007 -6.864 502 HB2 GLU 67 HB2 GLU 67 -4.181 -0.454 -7.475 503 HB3 GLU 67 HB3 GLU 67 -5.230 -0.704 -6.073 504 HG2 GLU 67 HG2 GLU 67 -6.862 0.917 -7.079 505 HG3 GLU 67 HG3 GLU 67 -5.824 1.005 -8.514 506 H LEU 68 H LEU 68 -5.623 3.397 -6.155 507 HA LEU 68 HA LEU 68 -6.952 2.803 -3.541 508 HB2 LEU 68 HB2 LEU 68 -6.051 5.369 -4.772 509 HB3 LEU 68 HB3 LEU 68 -7.542 5.376 -3.832 510 HG LEU 68 HG LEU 68 -6.344 4.583 -1.853 511 HD11 LEU 68 HD11 LEU 68 -4.548 3.338 -2.680 512 HD12 LEU 68 HD12 LEU 68 -3.909 4.704 -3.609 513 HD13 LEU 68 HD13 LEU 68 -3.853 4.730 -1.830 514 HD21 LEU 68 HD21 LEU 68 -5.188 7.057 -3.181 515 HD22 LEU 68 HD22 LEU 68 -6.675 6.958 -2.218 516 HD23 LEU 68 HD23 LEU 68 -5.098 6.687 -1.444 517 H GLY 69 H GLY 69 -9.052 3.031 -3.279 518 HA2 GLY 69 HA2 GLY 69 -10.761 4.036 -5.405 519 HA3 GLY 69 HA3 GLY 69 -10.863 2.266 -5.149 520 H ARG 70 H ARG 70 -12.981 4.160 -4.528 521 HA ARG 70 HA ARG 70 -12.908 4.355 -1.580 522 HB2 ARG 70 HB2 ARG 70 -15.091 5.048 -3.580 523 HB3 ARG 70 HB3 ARG 70 -15.168 5.326 -1.832 524 HG2 ARG 70 HG2 ARG 70 -13.203 6.824 -1.992 525 HG3 ARG 70 HG3 ARG 70 -13.159 6.566 -3.743 526 HD2 ARG 70 HD2 ARG 70 -15.512 7.483 -3.844 527 HD3 ARG 70 HD3 ARG 70 -15.339 7.920 -2.132 528 HE ARG 70 HE ARG 70 -13.848 9.621 -2.712 529 HH11 ARG 70 HH11 ARG 70 -14.513 7.694 -5.611 530 HH12 ARG 70 HH12 ARG 70 -13.699 8.837 -6.662 531 HH21 ARG 70 HH21 ARG 70 -12.848 11.021 -4.152 532 HH22 ARG 70 HH22 ARG 70 -12.793 10.635 -5.866 533 H THR 71 H THR 71 -13.757 2.801 -0.307 534 HA THR 71 HA THR 71 -14.762 0.449 -1.755 535 HB THR 71 HB THR 71 -14.478 -0.693 0.491 536 HG1 THR 71 HG1 THR 71 -14.627 1.027 1.906 537 HG21 THR 71 HG21 THR 71 -12.023 0.815 -0.507 538 HG22 THR 71 HG22 THR 71 -12.030 -0.678 0.455 539 HG23 THR 71 HG23 THR 71 -12.660 -0.695 -1.206 540 H THR 72 H THR 72 -16.607 -0.682 -1.243 541 HA THR 72 HA THR 72 -18.883 0.987 -0.446 542 HB THR 72 HB THR 72 -20.065 -1.310 -0.653 543 HG1 THR 72 HG1 THR 72 -17.761 -2.094 -2.077 544 HG21 THR 72 HG21 THR 72 -20.119 0.332 -2.471 545 HG22 THR 72 HG22 THR 72 -18.510 -0.193 -3.025 546 HG23 THR 72 HG23 THR 72 -19.894 -1.304 -3.127 547 H CYS 73 H CYS 73 -16.562 -0.912 1.171 548 HA CYS 73 HA CYS 73 -18.358 -1.366 3.497 549 HB2 CYS 73 HB2 CYS 73 -15.719 -2.465 2.598 550 HB3 CYS 73 HB3 CYS 73 -15.987 -2.296 4.332 551 H THR 74 H THR 74 -18.002 -0.436 5.419 552 HA THR 74 HA THR 74 -16.277 1.948 5.479 553 HB THR 74 HB THR 74 -17.394 2.482 7.536 554 HG1 THR 74 HG1 THR 74 -18.636 0.858 8.619 555 HG21 THR 74 HG21 THR 74 -19.599 0.921 6.203 556 HG22 THR 74 HG22 THR 74 -19.673 2.456 7.095 557 HG23 THR 74 HG23 THR 74 -18.942 2.422 5.475 558 H LYS 75 H LYS 75 -15.191 2.118 7.685 559 HA LYS 75 HA LYS 75 -13.235 0.110 8.015 560 HB2 LYS 75 HB2 LYS 75 -12.719 1.484 10.095 561 HB3 LYS 75 HB3 LYS 75 -12.834 2.433 8.603 562 HG2 LYS 75 HG2 LYS 75 -15.165 3.139 9.183 563 HG3 LYS 75 HG3 LYS 75 -15.129 2.109 10.628 564 HD2 LYS 75 HD2 LYS 75 -14.719 4.377 11.347 565 HD3 LYS 75 HD3 LYS 75 -13.203 3.481 11.505 566 HE2 LYS 75 HE2 LYS 75 -12.637 5.622 10.598 567 HE3 LYS 75 HE3 LYS 75 -12.481 4.470 9.267 568 HZ1 LYS 75 HZ1 LYS 75 -14.644 5.229 8.449 569 HZ2 LYS 75 HZ2 LYS 75 -14.790 6.291 9.704 570 HZ3 LYS 75 HZ3 LYS 75 -13.604 6.502 8.577 571 H THR 76 H THR 76 -16.375 0.269 9.277 572 HA THR 76 HA THR 76 -15.762 -1.634 11.457 573 HB THR 76 HB THR 76 -18.272 -1.015 11.558 574 HG1 THR 76 HG1 THR 76 -18.653 1.089 11.049 575 HG21 THR 76 HG21 THR 76 -16.697 -0.689 13.442 576 HG22 THR 76 HG22 THR 76 -16.034 0.744 12.619 577 HG23 THR 76 HG23 THR 76 -17.699 0.765 13.246 578 H GLN 77 H GLN 77 -17.244 -1.386 8.554 579 HA GLN 77 HA GLN 77 -19.471 -3.059 8.671 580 HB2 GLN 77 HB2 GLN 77 -17.605 -2.335 6.463 581 HB3 GLN 77 HB3 GLN 77 -18.726 -3.668 6.179 582 HG2 GLN 77 HG2 GLN 77 -19.657 -1.025 7.251 583 HG3 GLN 77 HG3 GLN 77 -19.475 -1.318 5.511 584 HE21 GLN 77 HE21 GLN 77 -20.767 -3.020 4.534 585 HE22 GLN 77 HE22 GLN 77 -22.296 -3.442 5.264 586 HA PRO 78 HA PRO 78 -17.961 -7.126 9.244 587 HB2 PRO 78 HB2 PRO 78 -20.172 -8.572 8.703 588 HB3 PRO 78 HB3 PRO 78 -20.153 -7.373 10.037 589 HG2 PRO 78 HG2 PRO 78 -21.200 -7.070 7.230 590 HG3 PRO 78 HG3 PRO 78 -22.009 -6.674 8.777 591 HD2 PRO 78 HD2 PRO 78 -20.670 -4.807 7.233 592 HD3 PRO 78 HD3 PRO 78 -20.821 -4.681 9.014 593 H ASN 79 H ASN 79 -18.035 -5.990 6.155 594 HA ASN 79 HA ASN 79 -17.673 -8.721 4.991 595 HB2 ASN 79 HB2 ASN 79 -18.914 -6.328 3.598 596 HB3 ASN 79 HB3 ASN 79 -18.741 -7.956 2.936 597 HD21 ASN 79 HD21 ASN 79 -19.753 -9.698 4.440 598 HD22 ASN 79 HD22 ASN 79 -21.344 -9.297 5.032 599 H LEU 80 H LEU 80 -15.486 -7.038 5.956 600 HA LEU 80 HA LEU 80 -14.342 -5.566 3.823 601 HB2 LEU 80 HB2 LEU 80 -13.306 -6.580 6.407 602 HB3 LEU 80 HB3 LEU 80 -12.124 -6.170 5.168 603 HG LEU 80 HG LEU 80 -13.273 -3.917 4.946 604 HD11 LEU 80 HD11 LEU 80 -14.486 -4.740 7.592 605 HD12 LEU 80 HD12 LEU 80 -14.452 -3.090 6.933 606 HD13 LEU 80 HD13 LEU 80 -15.361 -4.357 6.093 607 HD21 LEU 80 HD21 LEU 80 -12.043 -3.018 6.877 608 HD22 LEU 80 HD22 LEU 80 -11.912 -4.657 7.557 609 HD23 LEU 80 HD23 LEU 80 -11.115 -4.264 6.012 610 H ASP 81 H ASP 81 -14.501 -9.004 3.877 611 HA ASP 81 HA ASP 81 -12.082 -9.197 2.189 612 HB2 ASP 81 HB2 ASP 81 -14.162 -11.354 2.286 613 HB3 ASP 81 HB3 ASP 81 -12.398 -11.489 2.277 614 H ASN 82 H ASN 82 -15.584 -9.218 1.903 615 HA ASN 82 HA ASN 82 -15.596 -9.826 -0.940 616 HB2 ASN 82 HB2 ASN 82 -17.678 -9.278 1.170 617 HB3 ASN 82 HB3 ASN 82 -18.123 -9.141 -0.538 618 HD21 ASN 82 HD21 ASN 82 -15.714 -11.441 0.636 619 HD22 ASN 82 HD22 ASN 82 -16.680 -12.862 0.322 620 H CYS 83 H CYS 83 -16.108 -6.875 1.036 621 HA CYS 83 HA CYS 83 -17.124 -5.316 -1.109 622 HB2 CYS 83 HB2 CYS 83 -15.554 -4.519 1.343 623 HB3 CYS 83 HB3 CYS 83 -16.181 -3.353 0.174 624 HA PRO 84 HA PRO 84 -12.907 -3.789 -2.281 625 HB2 PRO 84 HB2 PRO 84 -10.593 -5.047 -1.554 626 HB3 PRO 84 HB3 PRO 84 -11.330 -3.728 -0.587 627 HG2 PRO 84 HG2 PRO 84 -11.622 -6.684 -0.255 628 HG3 PRO 84 HG3 PRO 84 -11.140 -5.450 0.963 629 HD2 PRO 84 HD2 PRO 84 -13.654 -6.317 0.828 630 HD3 PRO 84 HD3 PRO 84 -13.311 -4.571 1.083 631 H PHE 85 H PHE 85 -13.403 -7.297 -1.893 632 HA PHE 85 HA PHE 85 -11.974 -8.144 -4.200 633 HB2 PHE 85 HB2 PHE 85 -13.089 -9.653 -2.499 634 HB3 PHE 85 HB3 PHE 85 -14.641 -9.209 -3.207 635 HD1 PHE 85 HD1 PHE 85 -11.426 -10.951 -3.879 636 HD2 PHE 85 HD2 PHE 85 -15.432 -10.172 -5.245 637 HE1 PHE 85 HE1 PHE 85 -11.186 -12.749 -5.590 638 HE2 PHE 85 HE2 PHE 85 -15.205 -11.967 -6.956 639 HZ PHE 85 HZ PHE 85 -13.080 -13.259 -7.133 640 H HIS 86 H HIS 86 -15.428 -7.102 -3.834 641 HA HIS 86 HA HIS 86 -15.624 -7.120 -6.766 642 HB2 HIS 86 HB2 HIS 86 -17.945 -6.613 -6.548 643 HB3 HIS 86 HB3 HIS 86 -17.502 -7.982 -5.528 644 HD1 HIS 86 HD1 HIS 86 -17.538 -4.192 -4.758 645 HD2 HIS 86 HD2 HIS 86 -19.001 -7.817 -3.346 646 HE1 HIS 86 HE1 HIS 86 -18.870 -3.681 -2.683 647 H ASP 87 H ASP 87 -14.823 -4.734 -4.383 648 HA ASP 87 HA ASP 87 -15.779 -2.468 -5.904 649 HB2 ASP 87 HB2 ASP 87 -13.650 -2.714 -3.764 650 HB3 ASP 87 HB3 ASP 87 -14.082 -1.181 -4.523 651 H GLN 88 H GLN 88 -12.757 -4.370 -5.918 652 HA GLN 88 HA GLN 88 -11.250 -2.621 -7.571 653 HB2 GLN 88 HB2 GLN 88 -11.227 -5.563 -7.027 654 HB3 GLN 88 HB3 GLN 88 -10.339 -4.978 -8.445 655 HG2 GLN 88 HG2 GLN 88 -9.033 -3.530 -7.131 656 HG3 GLN 88 HG3 GLN 88 -9.993 -3.889 -5.685 657 HE21 GLN 88 HE21 GLN 88 -8.779 -5.048 -4.319 658 HE22 GLN 88 HE22 GLN 88 -7.804 -6.422 -4.772 659 HA PRO 89 HA PRO 89 -12.835 -4.551 -11.458 660 HB2 PRO 89 HB2 PRO 89 -15.223 -5.988 -11.493 661 HB3 PRO 89 HB3 PRO 89 -13.596 -6.748 -11.385 662 HG2 PRO 89 HG2 PRO 89 -15.534 -6.096 -9.166 663 HG3 PRO 89 HG3 PRO 89 -14.614 -7.604 -9.435 664 HD2 PRO 89 HD2 PRO 89 -13.796 -5.773 -7.704 665 HD3 PRO 89 HD3 PRO 89 -12.636 -6.674 -8.724 666 H HIS 90 H HIS 90 -15.217 -3.562 -9.007 667 HA HIS 90 HA HIS 90 -16.923 -2.227 -10.983 668 HB2 HIS 90 HB2 HIS 90 -16.877 -2.259 -7.959 669 HB3 HIS 90 HB3 HIS 90 -18.069 -1.368 -8.912 670 HD1 HIS 90 HD1 HIS 90 -19.077 -3.588 -7.047 671 HD2 HIS 90 HD2 HIS 90 -18.050 -4.215 -11.028 672 HE1 HIS 90 HE1 HIS 90 -20.309 -5.659 -7.798 673 H LEU 91 H LEU 91 -13.894 -1.425 -9.962 674 HA LEU 91 HA LEU 91 -14.333 1.422 -9.459 675 HB2 LEU 91 HB2 LEU 91 -11.919 -0.270 -10.052 676 HB3 LEU 91 HB3 LEU 91 -11.828 1.459 -10.137 677 HG LEU 91 HG LEU 91 -11.771 -0.301 -7.771 678 HD11 LEU 91 HD11 LEU 91 -10.659 2.445 -8.489 679 HD12 LEU 91 HD12 LEU 91 -10.196 1.468 -7.092 680 HD13 LEU 91 HD13 LEU 91 -9.831 0.885 -8.717 681 HD21 LEU 91 HD21 LEU 91 -13.050 2.470 -7.620 682 HD22 LEU 91 HD22 LEU 91 -13.867 0.920 -7.272 683 HD23 LEU 91 HD23 LEU 91 -12.543 1.466 -6.241 684 H LYS 92 H LYS 92 -15.598 2.124 -11.142 685 HA LYS 92 HA LYS 92 -14.985 1.814 -13.924 686 HB2 LYS 92 HB2 LYS 92 -16.420 3.940 -14.134 687 HB3 LYS 92 HB3 LYS 92 -17.188 2.501 -13.470 688 HG2 LYS 92 HG2 LYS 92 -15.993 4.384 -11.470 689 HG3 LYS 92 HG3 LYS 92 -17.410 4.968 -12.357 690 HD2 LYS 92 HD2 LYS 92 -18.838 3.533 -11.305 691 HD3 LYS 92 HD3 LYS 92 -17.685 2.192 -11.365 692 HE2 LYS 92 HE2 LYS 92 -16.393 3.369 -9.496 693 HE3 LYS 92 HE3 LYS 92 -17.801 4.442 -9.324 694 HZ1 LYS 92 HZ1 LYS 92 -17.814 1.476 -9.069 695 HZ2 LYS 92 HZ2 LYS 92 -17.937 2.548 -7.817 696 HZ3 LYS 92 HZ3 LYS 92 -19.151 2.439 -8.929 697 H ARG 93 H ARG 93 -13.461 3.615 -11.468 698 HA ARG 93 HA ARG 93 -11.683 4.851 -13.499 699 HB2 ARG 93 HB2 ARG 93 -12.753 6.223 -10.984 700 HB3 ARG 93 HB3 ARG 93 -11.419 6.809 -11.977 701 HG2 ARG 93 HG2 ARG 93 -13.101 6.882 -13.922 702 HG3 ARG 93 HG3 ARG 93 -14.358 6.670 -12.682 703 HD2 ARG 93 HD2 ARG 93 -14.100 9.037 -13.040 704 HD3 ARG 93 HD3 ARG 93 -13.359 8.655 -11.471 705 HE ARG 93 HE ARG 93 -11.564 8.634 -13.807 706 HH11 ARG 93 HH11 ARG 93 -12.700 10.517 -11.031 707 HH12 ARG 93 HH12 ARG 93 -11.312 11.592 -11.116 708 HH21 ARG 93 HH21 ARG 93 -9.848 10.039 -13.794 709 HH22 ARG 93 HH22 ARG 93 -9.755 11.315 -12.596 710 H LYS 94 H LYS 94 -9.596 4.373 -12.956 711 HA LYS 94 HA LYS 94 -9.115 3.140 -10.274 712 HB2 LYS 94 HB2 LYS 94 -7.832 2.820 -12.982 713 HB3 LYS 94 HB3 LYS 94 -6.837 2.625 -11.543 714 HG2 LYS 94 HG2 LYS 94 -7.520 0.473 -12.241 715 HG3 LYS 94 HG3 LYS 94 -8.357 0.867 -10.742 716 HD2 LYS 94 HD2 LYS 94 -10.421 1.244 -11.901 717 HD3 LYS 94 HD3 LYS 94 -9.619 1.090 -13.477 718 HE2 LYS 94 HE2 LYS 94 -10.810 -1.001 -12.842 719 HE3 LYS 94 HE3 LYS 94 -9.065 -1.246 -13.024 720 HZ1 LYS 94 HZ1 LYS 94 -8.909 -1.063 -10.542 721 HZ2 LYS 94 HZ2 LYS 94 -10.560 -1.068 -10.475 722 HZ3 LYS 94 HZ3 LYS 94 -9.767 -2.375 -11.070 723 H ALA 95 H ALA 95 -7.708 4.027 -8.901 724 HA ALA 95 HA ALA 95 -6.125 6.372 -9.877 725 HB1 ALA 95 HB1 ALA 95 -6.191 6.984 -7.360 726 HB2 ALA 95 HB2 ALA 95 -7.657 7.297 -8.306 727 HB3 ALA 95 HB3 ALA 95 -7.568 5.868 -7.246 728 H PHE 96 H PHE 96 -3.966 6.128 -9.530 729 HA PHE 96 HA PHE 96 -3.139 3.830 -7.830 730 HB2 PHE 96 HB2 PHE 96 -1.201 3.530 -9.361 731 HB3 PHE 96 HB3 PHE 96 -2.756 3.159 -10.115 732 HD1 PHE 96 HD1 PHE 96 -3.621 4.469 -11.961 733 HD2 PHE 96 HD2 PHE 96 0.056 5.583 -10.019 734 HE1 PHE 96 HE1 PHE 96 -3.099 6.011 -13.847 735 HE2 PHE 96 HE2 PHE 96 0.580 7.140 -11.891 736 HZ PHE 96 HZ PHE 96 -0.992 7.348 -13.817 737 H CYS 97 H CYS 97 -1.529 4.235 -6.494 738 HA CYS 97 HA CYS 97 -0.419 7.001 -6.379 739 HB2 CYS 97 HB2 CYS 97 -1.304 5.197 -4.102 740 HB3 CYS 97 HB3 CYS 97 -0.561 6.794 -3.933 741 H SER 98 H SER 98 1.540 7.216 -5.219 742 HA SER 98 HA SER 98 3.124 4.692 -4.887 743 HB2 SER 98 HB2 SER 98 4.065 7.301 -6.148 744 HB3 SER 98 HB3 SER 98 5.132 5.979 -5.650 745 HG SER 98 HG SER 98 4.057 4.613 -7.097 746 H PHE 99 H PHE 99 3.768 4.497 -2.882 747 HA PHE 99 HA PHE 99 4.088 6.998 -1.264 748 HB2 PHE 99 HB2 PHE 99 3.355 4.188 -0.368 749 HB3 PHE 99 HB3 PHE 99 3.564 5.593 0.686 750 HD1 PHE 99 HD1 PHE 99 2.028 7.635 0.256 751 HD2 PHE 99 HD2 PHE 99 1.236 3.700 -1.291 752 HE1 PHE 99 HE1 PHE 99 -0.352 8.258 -0.090 753 HE2 PHE 99 HE2 PHE 99 -1.161 4.310 -1.611 754 HZ PHE 99 HZ PHE 99 -1.960 6.594 -1.012 755 H GLN 100 H GLN 100 5.979 7.326 -0.312 756 HA GLN 100 HA GLN 100 7.984 5.100 -0.406 757 HB2 GLN 100 HB2 GLN 100 8.377 6.749 -2.234 758 HB3 GLN 100 HB3 GLN 100 8.485 8.010 -1.010 759 HG2 GLN 100 HG2 GLN 100 10.436 6.812 -0.009 760 HG3 GLN 100 HG3 GLN 100 10.383 5.695 -1.382 761 HE21 GLN 100 HE21 GLN 100 12.345 7.809 -0.403 762 HE22 GLN 100 HE22 GLN 100 12.640 8.800 -1.818 763 H ILE 101 H ILE 101 8.237 4.575 1.663 764 HA ILE 101 HA ILE 101 8.227 6.781 3.683 765 HB ILE 101 HB ILE 101 8.174 3.760 4.084 766 HG12 ILE 101 HG12 ILE 101 5.910 5.687 4.644 767 HG13 ILE 101 HG13 ILE 101 6.081 4.906 3.071 768 HG21 ILE 101 HG21 ILE 101 9.243 4.906 5.967 769 HG22 ILE 101 HG22 ILE 101 7.900 6.071 6.063 770 HG23 ILE 101 HG23 ILE 101 7.632 4.359 6.458 771 HD11 ILE 101 HD11 ILE 101 5.680 3.495 5.726 772 HD12 ILE 101 HD12 ILE 101 4.502 3.664 4.407 773 HD13 ILE 101 HD13 ILE 101 5.967 2.689 4.166 774 H TYR 102 H TYR 102 10.168 7.563 4.267 775 HA TYR 102 HA TYR 102 12.570 5.948 3.602 776 HB2 TYR 102 HB2 TYR 102 12.637 8.328 3.023 777 HB3 TYR 102 HB3 TYR 102 12.185 8.773 4.677 778 HD1 TYR 102 HD1 TYR 102 13.830 8.919 6.422 779 HD2 TYR 102 HD2 TYR 102 14.906 7.249 2.608 780 HE1 TYR 102 HE1 TYR 102 16.233 8.964 7.067 781 HE2 TYR 102 HE2 TYR 102 17.308 7.301 3.267 782 HH TYR 102 HH TYR 102 18.836 7.886 4.911 783 H ALA 103 H ALA 103 13.374 4.635 5.143 784 HA ALA 103 HA ALA 103 12.539 5.085 7.931 785 HB1 ALA 103 HB1 ALA 103 13.820 2.712 6.616 786 HB2 ALA 103 HB2 ALA 103 13.323 2.848 8.320 787 HB3 ALA 103 HB3 ALA 103 12.092 2.877 7.032 788 H VAL 104 H VAL 104 13.989 5.577 9.413 789 HA VAL 104 HA VAL 104 16.610 6.489 8.293 790 HB VAL 104 HB VAL 104 15.785 6.995 11.134 791 HG11 VAL 104 HG11 VAL 104 16.506 9.114 10.831 792 HG12 VAL 104 HG12 VAL 104 17.678 7.996 10.099 793 HG13 VAL 104 HG13 VAL 104 16.540 8.910 9.078 794 HG21 VAL 104 HG21 VAL 104 13.692 7.034 10.321 795 HG22 VAL 104 HG22 VAL 104 14.156 8.721 10.544 796 HG23 VAL 104 HG23 VAL 104 14.117 8.025 8.901 797 HA PRO 105 HA PRO 105 16.589 2.784 10.359 798 HB2 PRO 105 HB2 PRO 105 18.968 1.447 9.769 799 HB3 PRO 105 HB3 PRO 105 17.634 1.620 8.580 800 HG2 PRO 105 HG2 PRO 105 20.102 3.343 8.905 801 HG3 PRO 105 HG3 PRO 105 19.460 2.575 7.416 802 HD2 PRO 105 HD2 PRO 105 18.925 5.172 8.043 803 HD3 PRO 105 HD3 PRO 105 17.713 4.124 7.232 804 H TRP 106 H TRP 106 19.159 5.011 10.658 805 HA TRP 106 HA TRP 106 20.710 3.964 12.756 806 HB2 TRP 106 HB2 TRP 106 20.110 6.870 12.112 807 HB3 TRP 106 HB3 TRP 106 21.583 6.214 12.869 808 HD1 TRP 106 HD1 TRP 106 20.266 7.200 9.548 809 HE1 TRP 106 HE1 TRP 106 21.668 6.325 7.603 810 HE3 TRP 106 HE3 TRP 106 23.107 3.850 12.182 811 HZ2 TRP 106 HZ2 TRP 106 23.747 4.425 7.235 812 HZ3 TRP 106 HZ3 TRP 106 24.831 2.516 10.949 813 HH2 TRP 106 HH2 TRP 106 25.132 2.805 8.489 814 H GLN 107 H GLN 107 17.533 5.330 12.872 815 HA GLN 107 HA GLN 107 17.771 5.538 15.854 816 HB2 GLN 107 HB2 GLN 107 16.062 7.090 13.912 817 HB3 GLN 107 HB3 GLN 107 15.919 7.208 15.665 818 HG2 GLN 107 HG2 GLN 107 18.179 8.125 15.795 819 HG3 GLN 107 HG3 GLN 107 18.386 7.923 14.047 820 HE21 GLN 107 HE21 GLN 107 18.019 10.247 16.180 821 HE22 GLN 107 HE22 GLN 107 16.991 11.353 15.300 822 H GLY 108 H GLY 108 16.551 3.679 13.344 823 HA2 GLY 108 HA2 GLY 108 15.012 1.960 13.369 824 HA3 GLY 108 HA3 GLY 108 14.744 2.262 15.096 825 H THR 109 H THR 109 14.440 4.985 13.071 826 HA THR 109 HA THR 109 11.486 5.029 13.503 827 HB THR 109 HB THR 109 11.955 7.489 12.746 828 HG1 THR 109 HG1 THR 109 14.125 8.107 13.233 829 HG21 THR 109 HG21 THR 109 12.622 8.156 15.032 830 HG22 THR 109 HG22 THR 109 11.403 6.866 15.094 831 HG23 THR 109 HG23 THR 109 13.119 6.485 15.384 832 H MET 110 H MET 110 10.239 6.112 11.712 833 HA MET 110 HA MET 110 11.718 6.260 9.167 834 HB2 MET 110 HB2 MET 110 10.127 4.820 7.955 835 HB3 MET 110 HB3 MET 110 10.755 3.885 9.312 836 HG2 MET 110 HG2 MET 110 8.666 4.386 10.575 837 HG3 MET 110 HG3 MET 110 8.040 5.219 9.140 838 HE1 MET 110 HE1 MET 110 5.989 3.921 8.581 839 HE2 MET 110 HE2 MET 110 5.824 2.156 8.714 840 HE3 MET 110 HE3 MET 110 6.147 3.135 10.166 841 H THR 111 H THR 111 10.415 7.495 7.554 842 HA THR 111 HA THR 111 8.028 8.944 8.608 843 HB THR 111 HB THR 111 10.519 10.242 7.411 844 HG1 THR 111 HG1 THR 111 9.553 9.955 10.049 845 HG21 THR 111 HG21 THR 111 8.580 11.495 6.791 846 HG22 THR 111 HG22 THR 111 7.919 11.401 8.447 847 HG23 THR 111 HG23 THR 111 9.386 12.354 8.122 848 H LEU 112 H LEU 112 6.536 9.399 6.914 849 HA LEU 112 HA LEU 112 6.985 8.258 4.338 850 HB2 LEU 112 HB2 LEU 112 4.797 8.709 5.514 851 HB3 LEU 112 HB3 LEU 112 5.016 10.414 5.166 852 HG LEU 112 HG LEU 112 4.864 9.912 2.733 853 HD11 LEU 112 HD11 LEU 112 5.692 7.619 2.742 854 HD12 LEU 112 HD12 LEU 112 4.336 7.105 3.768 855 HD13 LEU 112 HD13 LEU 112 4.043 7.641 2.093 856 HD21 LEU 112 HD21 LEU 112 2.860 10.562 3.951 857 HD22 LEU 112 HD22 LEU 112 2.421 9.262 2.826 858 HD23 LEU 112 HD23 LEU 112 2.630 8.904 4.549 859 H SER 113 H SER 113 8.359 9.001 2.874 860 HA SER 113 HA SER 113 9.296 11.799 2.968 861 HB2 SER 113 HB2 SER 113 10.935 9.994 2.733 862 HB3 SER 113 HB3 SER 113 10.111 9.403 1.276 863 HG SER 113 HG SER 113 10.669 12.036 1.049 864 H LYS 114 H LYS 114 7.322 9.657 0.953 865 HA LYS 114 HA LYS 114 6.436 12.029 -0.581 866 HB2 LYS 114 HB2 LYS 114 7.950 11.491 -2.214 867 HB3 LYS 114 HB3 LYS 114 8.117 9.841 -1.664 868 HG2 LYS 114 HG2 LYS 114 5.743 9.458 -2.762 869 HG3 LYS 114 HG3 LYS 114 6.098 10.961 -3.629 870 HD2 LYS 114 HD2 LYS 114 7.924 8.537 -3.540 871 HD3 LYS 114 HD3 LYS 114 6.715 8.796 -4.803 872 HE2 LYS 114 HE2 LYS 114 7.842 10.663 -5.675 873 HE3 LYS 114 HE3 LYS 114 8.810 10.889 -4.196 874 HZ1 LYS 114 HZ1 LYS 114 9.060 8.593 -6.048 875 HZ2 LYS 114 HZ2 LYS 114 10.117 9.857 -5.942 876 HZ3 LYS 114 HZ3 LYS 114 9.945 8.816 -4.668 877 H SER 115 H SER 115 4.373 11.919 -1.155 878 HA SER 115 HA SER 115 3.001 9.307 -1.325 879 HB2 SER 115 HB2 SER 115 1.046 10.316 -0.080 880 HB3 SER 115 HB3 SER 115 2.460 9.996 0.940 881 HG SER 115 HG SER 115 1.834 12.508 -0.229 882 H THR 116 H THR 116 2.462 9.397 -3.425 883 HA THR 116 HA THR 116 1.208 11.951 -4.379 884 HB THR 116 HB THR 116 3.512 11.720 -5.371 885 HG1 THR 116 HG1 THR 116 1.631 11.228 -7.417 886 HG21 THR 116 HG21 THR 116 2.363 9.223 -6.668 887 HG22 THR 116 HG22 THR 116 3.914 10.000 -7.062 888 HG23 THR 116 HG23 THR 116 3.670 9.279 -5.458 889 H CYS 117 H CYS 117 -0.553 11.604 -5.838 890 HA CYS 117 HA CYS 117 -1.499 8.814 -6.071 891 HB2 CYS 117 HB2 CYS 117 -2.554 10.910 -4.232 892 HB3 CYS 117 HB3 CYS 117 -3.752 9.976 -5.129 893 H GLN 118 H GLN 118 -3.604 8.690 -7.130 894 HA GLN 118 HA GLN 118 -3.973 10.838 -9.184 895 HB2 GLN 118 HB2 GLN 118 -4.023 7.835 -9.229 896 HB3 GLN 118 HB3 GLN 118 -5.161 8.690 -10.280 897 HG2 GLN 118 HG2 GLN 118 -2.143 9.027 -10.283 898 HG3 GLN 118 HG3 GLN 118 -3.085 8.081 -11.443 899 HE21 GLN 118 HE21 GLN 118 -5.271 9.849 -11.840 900 HE22 GLN 118 HE22 GLN 118 -4.665 11.270 -12.652 901 H ASP 119 H ASP 119 -6.209 11.171 -9.850 902 HA ASP 119 HA ASP 119 -8.068 10.931 -7.599 903 HB2 ASP 119 HB2 ASP 119 -9.459 12.454 -8.801 904 HB3 ASP 119 HB3 ASP 119 -7.795 13.051 -8.894 905 H ALA 120 H ALA 120 -10.164 10.033 -7.713 906 HA ALA 120 HA ALA 120 -10.951 8.441 -10.056 907 HB1 ALA 120 HB1 ALA 120 -11.439 6.444 -8.538 908 HB2 ALA 120 HB2 ALA 120 -9.719 6.718 -8.876 909 HB3 ALA 120 HB3 ALA 120 -10.406 7.213 -7.309 Start of MODEL 19 1 H1 SER 1 H1 SER 1 8.707 -7.057 18.107 2 H2 SER 1 H2 SER 1 8.982 -6.199 19.450 3 H3 SER 1 H3 SER 1 9.173 -7.804 19.463 4 HA SER 1 HA SER 1 10.822 -5.902 17.927 5 HB2 SER 1 HB2 SER 1 11.568 -7.645 20.309 6 HB3 SER 1 HB3 SER 1 12.617 -6.472 19.476 7 HG SER 1 HG SER 1 11.693 -5.551 21.343 8 H SER 2 H SER 2 12.949 -7.103 17.223 9 HA SER 2 HA SER 2 12.479 -9.953 16.581 10 HB2 SER 2 HB2 SER 2 11.444 -8.637 14.704 11 HB3 SER 2 HB3 SER 2 12.993 -7.802 14.469 12 HG SER 2 HG SER 2 12.654 -9.615 13.057 13 HA PRO 3 HA PRO 3 16.784 -9.542 17.488 14 HB2 PRO 3 HB2 PRO 3 17.953 -11.680 16.258 15 HB3 PRO 3 HB3 PRO 3 16.872 -11.871 17.676 16 HG2 PRO 3 HG2 PRO 3 16.200 -12.113 14.750 17 HG3 PRO 3 HG3 PRO 3 15.876 -13.274 16.079 18 HD2 PRO 3 HD2 PRO 3 13.985 -11.554 15.247 19 HD3 PRO 3 HD3 PRO 3 14.179 -11.929 16.993 20 H GLY 4 H GLY 4 18.862 -8.979 16.573 21 HA2 GLY 4 HA2 GLY 4 18.715 -8.211 13.687 22 HA3 GLY 4 HA3 GLY 4 19.390 -7.151 14.935 23 H LYS 5 H LYS 5 21.030 -7.556 12.946 24 HA LYS 5 HA LYS 5 23.201 -9.147 14.132 25 HB2 LYS 5 HB2 LYS 5 23.664 -10.391 12.067 26 HB3 LYS 5 HB3 LYS 5 22.062 -10.804 12.679 27 HG2 LYS 5 HG2 LYS 5 21.054 -9.256 10.997 28 HG3 LYS 5 HG3 LYS 5 22.679 -8.967 10.336 29 HD2 LYS 5 HD2 LYS 5 22.914 -11.400 9.904 30 HD3 LYS 5 HD3 LYS 5 21.278 -11.661 10.545 31 HE2 LYS 5 HE2 LYS 5 20.369 -10.166 8.773 32 HE3 LYS 5 HE3 LYS 5 22.007 -9.992 8.106 33 HZ1 LYS 5 HZ1 LYS 5 20.514 -12.548 8.353 34 HZ2 LYS 5 HZ2 LYS 5 20.752 -11.714 6.951 35 HZ3 LYS 5 HZ3 LYS 5 22.034 -12.394 7.734 36 HA PRO 6 HA PRO 6 25.054 -5.538 12.671 37 HB2 PRO 6 HB2 PRO 6 27.526 -6.166 11.635 38 HB3 PRO 6 HB3 PRO 6 27.154 -6.210 13.390 39 HG2 PRO 6 HG2 PRO 6 27.121 -8.476 11.403 40 HG3 PRO 6 HG3 PRO 6 27.946 -8.384 12.993 41 HD2 PRO 6 HD2 PRO 6 25.568 -9.596 12.758 42 HD3 PRO 6 HD3 PRO 6 25.914 -8.550 14.180 43 HA PRO 7 HA PRO 7 24.011 -5.418 8.372 44 HB2 PRO 7 HB2 PRO 7 24.412 -2.799 7.778 45 HB3 PRO 7 HB3 PRO 7 23.104 -3.318 8.892 46 HG2 PRO 7 HG2 PRO 7 25.861 -2.302 9.552 47 HG3 PRO 7 HG3 PRO 7 24.279 -1.760 10.196 48 HD2 PRO 7 HD2 PRO 7 25.874 -3.534 11.510 49 HD3 PRO 7 HD3 PRO 7 24.078 -3.623 11.580 50 H ARG 8 H ARG 8 24.976 -5.391 6.293 51 HA ARG 8 HA ARG 8 27.908 -5.543 6.276 52 HB2 ARG 8 HB2 ARG 8 26.455 -7.096 4.958 53 HB3 ARG 8 HB3 ARG 8 25.879 -5.730 4.002 54 HG2 ARG 8 HG2 ARG 8 27.578 -7.058 2.794 55 HG3 ARG 8 HG3 ARG 8 28.115 -5.395 3.052 56 HD2 ARG 8 HD2 ARG 8 29.505 -6.127 4.962 57 HD3 ARG 8 HD3 ARG 8 28.959 -7.800 4.720 58 HE ARG 8 HE ARG 8 30.022 -6.922 2.270 59 HH11 ARG 8 HH11 ARG 8 31.261 -7.461 5.533 60 HH12 ARG 8 HH12 ARG 8 32.865 -7.835 4.961 61 HH21 ARG 8 HH21 ARG 8 32.096 -7.400 1.618 62 HH22 ARG 8 HH22 ARG 8 33.325 -7.799 2.787 63 H LEU 9 H LEU 9 25.493 -3.186 5.803 64 HA LEU 9 HA LEU 9 25.463 -1.032 5.038 65 HB2 LEU 9 HB2 LEU 9 28.454 -1.078 5.463 66 HB3 LEU 9 HB3 LEU 9 27.454 0.361 5.314 67 HG LEU 9 HG LEU 9 27.206 -1.629 7.594 68 HD11 LEU 9 HD11 LEU 9 29.422 -0.570 7.589 69 HD12 LEU 9 HD12 LEU 9 28.666 1.038 7.474 70 HD13 LEU 9 HD13 LEU 9 28.428 0.039 8.928 71 HD21 LEU 9 HD21 LEU 9 26.126 1.201 7.210 72 HD22 LEU 9 HD22 LEU 9 25.164 -0.296 7.218 73 HD23 LEU 9 HD23 LEU 9 25.985 0.237 8.696 74 H VAL 10 H VAL 10 25.791 -3.219 3.208 75 HA VAL 10 HA VAL 10 25.737 -1.159 1.146 76 HB VAL 10 HB VAL 10 26.959 -3.732 0.268 77 HG11 VAL 10 HG11 VAL 10 28.021 -2.056 -1.211 78 HG12 VAL 10 HG12 VAL 10 26.239 -2.022 -1.189 79 HG13 VAL 10 HG13 VAL 10 27.154 -0.815 -0.238 80 HG21 VAL 10 HG21 VAL 10 28.687 -1.587 1.615 81 HG22 VAL 10 HG22 VAL 10 28.464 -3.251 2.195 82 HG23 VAL 10 HG23 VAL 10 29.287 -2.954 0.657 83 H GLY 11 H GLY 11 24.221 -1.826 -0.515 84 HA2 GLY 11 HA2 GLY 11 22.971 -4.350 -0.667 85 HA3 GLY 11 HA3 GLY 11 22.039 -3.340 0.475 86 H GLY 12 H GLY 12 20.431 -3.623 -1.479 87 HA2 GLY 12 HA2 GLY 12 20.556 -1.108 -2.967 88 HA3 GLY 12 HA3 GLY 12 20.662 -2.574 -3.970 89 HA PRO 13 HA PRO 13 16.202 -1.764 -2.862 90 HB2 PRO 13 HB2 PRO 13 15.131 -1.345 -5.313 91 HB3 PRO 13 HB3 PRO 13 15.927 -0.027 -4.391 92 HG2 PRO 13 HG2 PRO 13 17.058 -1.762 -6.577 93 HG3 PRO 13 HG3 PRO 13 17.109 0.021 -6.415 94 HD2 PRO 13 HD2 PRO 13 19.184 -1.585 -5.669 95 HD3 PRO 13 HD3 PRO 13 18.795 -0.059 -4.802 96 H MET 14 H MET 14 14.673 -3.358 -2.820 97 HA MET 14 HA MET 14 14.675 -5.438 -4.912 98 HB2 MET 14 HB2 MET 14 14.769 -7.270 -3.337 99 HB3 MET 14 HB3 MET 14 16.243 -6.312 -3.168 100 HG2 MET 14 HG2 MET 14 15.421 -5.284 -1.127 101 HG3 MET 14 HG3 MET 14 13.834 -6.042 -1.328 102 HE1 MET 14 HE1 MET 14 14.249 -9.078 -2.067 103 HE2 MET 14 HE2 MET 14 14.330 -9.759 -0.428 104 HE3 MET 14 HE3 MET 14 13.183 -8.449 -0.793 105 H ASP 15 H ASP 15 12.647 -6.612 -4.891 106 HA ASP 15 HA ASP 15 10.492 -5.131 -3.490 107 HB2 ASP 15 HB2 ASP 15 10.581 -6.995 -5.858 108 HB3 ASP 15 HB3 ASP 15 9.085 -6.816 -4.927 109 H ALA 16 H ALA 16 9.201 -6.085 -2.021 110 HA ALA 16 HA ALA 16 9.808 -8.973 -1.254 111 HB1 ALA 16 HB1 ALA 16 9.029 -8.388 1.004 112 HB2 ALA 16 HB2 ALA 16 10.527 -7.560 0.537 113 HB3 ALA 16 HB3 ALA 16 8.977 -6.695 0.512 114 H SER 17 H SER 17 7.954 -10.146 -0.481 115 HA SER 17 HA SER 17 5.653 -9.775 -2.194 116 HB2 SER 17 HB2 SER 17 5.505 -11.485 0.261 117 HB3 SER 17 HB3 SER 17 5.013 -11.852 -1.407 118 HG SER 17 HG SER 17 7.504 -12.074 -0.148 119 H VAL 18 H VAL 18 3.412 -9.385 -1.407 120 HA VAL 18 HA VAL 18 3.363 -7.127 0.370 121 HB VAL 18 HB VAL 18 0.986 -7.042 0.000 122 HG11 VAL 18 HG11 VAL 18 2.545 -6.529 -1.923 123 HG12 VAL 18 HG12 VAL 18 2.211 -8.162 -2.550 124 HG13 VAL 18 HG13 VAL 18 0.894 -6.978 -2.406 125 HG21 VAL 18 HG21 VAL 18 0.379 -9.396 0.402 126 HG22 VAL 18 HG22 VAL 18 -0.266 -8.851 -1.153 127 HG23 VAL 18 HG23 VAL 18 1.177 -9.884 -1.110 128 H GLU 19 H GLU 19 3.173 -10.506 0.763 129 HA GLU 19 HA GLU 19 1.825 -10.632 3.297 130 HB2 GLU 19 HB2 GLU 19 3.763 -12.425 1.804 131 HB3 GLU 19 HB3 GLU 19 2.996 -12.881 3.332 132 HG2 GLU 19 HG2 GLU 19 1.629 -13.889 1.734 133 HG3 GLU 19 HG3 GLU 19 0.755 -12.410 2.167 134 H GLU 20 H GLU 20 5.141 -9.866 2.311 135 HA GLU 20 HA GLU 20 6.333 -10.512 4.730 136 HB2 GLU 20 HB2 GLU 20 7.178 -8.718 2.576 137 HB3 GLU 20 HB3 GLU 20 7.897 -8.433 4.163 138 HG2 GLU 20 HG2 GLU 20 9.259 -9.894 3.224 139 HG3 GLU 20 HG3 GLU 20 8.187 -10.810 4.337 140 H GLU 21 H GLU 21 7.001 -9.868 6.441 141 HA GLU 21 HA GLU 21 5.369 -8.107 7.663 142 HB2 GLU 21 HB2 GLU 21 7.820 -9.507 8.430 143 HB3 GLU 21 HB3 GLU 21 7.421 -8.093 9.419 144 HG2 GLU 21 HG2 GLU 21 5.270 -10.087 8.823 145 HG3 GLU 21 HG3 GLU 21 6.512 -10.489 10.034 146 H GLY 22 H GLY 22 8.397 -7.605 6.128 147 HA2 GLY 22 HA2 GLY 22 8.820 -4.921 7.099 148 HA3 GLY 22 HA3 GLY 22 9.600 -5.665 5.688 149 H VAL 23 H VAL 23 6.772 -6.333 4.616 150 HA VAL 23 HA VAL 23 6.373 -3.728 3.312 151 HB VAL 23 HB VAL 23 5.175 -6.485 2.832 152 HG11 VAL 23 HG11 VAL 23 4.392 -5.417 0.668 153 HG12 VAL 23 HG12 VAL 23 3.490 -5.064 2.139 154 HG13 VAL 23 HG13 VAL 23 4.631 -3.856 1.490 155 HG21 VAL 23 HG21 VAL 23 6.478 -6.317 0.719 156 HG22 VAL 23 HG22 VAL 23 7.169 -4.791 1.306 157 HG23 VAL 23 HG23 VAL 23 7.488 -6.321 2.169 158 H ARG 24 H ARG 24 4.283 -6.130 5.100 159 HA ARG 24 HA ARG 24 1.939 -4.656 4.983 160 HB2 ARG 24 HB2 ARG 24 3.000 -6.408 7.227 161 HB3 ARG 24 HB3 ARG 24 1.299 -5.931 6.996 162 HG2 ARG 24 HG2 ARG 24 1.496 -6.913 4.662 163 HG3 ARG 24 HG3 ARG 24 3.014 -7.640 5.176 164 HD2 ARG 24 HD2 ARG 24 0.412 -8.090 6.550 165 HD3 ARG 24 HD3 ARG 24 1.043 -9.077 5.231 166 HE ARG 24 HE ARG 24 2.705 -9.958 6.593 167 HH11 ARG 24 HH11 ARG 24 0.693 -7.694 8.448 168 HH12 ARG 24 HH12 ARG 24 1.226 -8.347 9.974 169 HH21 ARG 24 HH21 ARG 24 3.245 -10.764 8.575 170 HH22 ARG 24 HH22 ARG 24 2.645 -10.037 10.042 171 H ARG 25 H ARG 25 4.495 -4.312 7.486 172 HA ARG 25 HA ARG 25 3.046 -2.385 9.007 173 HB2 ARG 25 HB2 ARG 25 5.211 -1.648 9.876 174 HB3 ARG 25 HB3 ARG 25 5.041 -3.410 9.903 175 HG2 ARG 25 HG2 ARG 25 7.107 -3.470 8.995 176 HG3 ARG 25 HG3 ARG 25 6.328 -3.025 7.470 177 HD2 ARG 25 HD2 ARG 25 8.246 -1.596 7.873 178 HD3 ARG 25 HD3 ARG 25 6.765 -0.628 7.966 179 HE ARG 25 HE ARG 25 7.077 -1.165 10.552 180 HH11 ARG 25 HH11 ARG 25 9.604 -0.240 8.259 181 HH12 ARG 25 HH12 ARG 25 10.555 0.544 9.490 182 HH21 ARG 25 HH21 ARG 25 8.342 -0.134 12.056 183 HH22 ARG 25 HH22 ARG 25 9.852 0.603 11.596 184 H ALA 26 H ALA 26 4.749 -1.991 5.972 185 HA ALA 26 HA ALA 26 4.915 0.904 6.235 186 HB1 ALA 26 HB1 ALA 26 5.530 -0.892 3.864 187 HB2 ALA 26 HB2 ALA 26 6.039 0.788 4.112 188 HB3 ALA 26 HB3 ALA 26 6.704 -0.492 5.140 189 H LEU 27 H LEU 27 3.064 -1.671 4.667 190 HA LEU 27 HA LEU 27 1.541 -0.037 2.874 191 HB2 LEU 27 HB2 LEU 27 0.688 -2.589 4.316 192 HB3 LEU 27 HB3 LEU 27 -0.140 -1.841 2.969 193 HG LEU 27 HG LEU 27 2.392 -3.446 2.976 194 HD11 LEU 27 HD11 LEU 27 0.222 -4.559 2.678 195 HD12 LEU 27 HD12 LEU 27 -0.148 -3.491 1.302 196 HD13 LEU 27 HD13 LEU 27 1.200 -4.650 1.200 197 HD21 LEU 27 HD21 LEU 27 1.509 -1.464 0.858 198 HD22 LEU 27 HD22 LEU 27 3.060 -1.529 1.723 199 HD23 LEU 27 HD23 LEU 27 2.650 -2.796 0.560 200 H ASP 28 H ASP 28 0.731 -1.363 6.118 201 HA ASP 28 HA ASP 28 -1.810 -0.012 6.164 202 HB2 ASP 28 HB2 ASP 28 -0.067 -1.165 8.394 203 HB3 ASP 28 HB3 ASP 28 -1.731 -0.596 8.616 204 H PHE 29 H PHE 29 1.467 0.807 7.235 205 HA PHE 29 HA PHE 29 0.701 3.129 8.742 206 HB2 PHE 29 HB2 PHE 29 2.906 2.006 8.872 207 HB3 PHE 29 HB3 PHE 29 3.264 2.532 7.224 208 HD1 PHE 29 HD1 PHE 29 2.838 3.583 10.745 209 HD2 PHE 29 HD2 PHE 29 3.842 4.895 6.772 210 HE1 PHE 29 HE1 PHE 29 3.775 5.695 11.681 211 HE2 PHE 29 HE2 PHE 29 4.796 6.994 7.701 212 HZ PHE 29 HZ PHE 29 4.768 7.400 10.153 213 H ALA 30 H ALA 30 1.742 2.590 5.313 214 HA ALA 30 HA ALA 30 1.579 5.344 4.542 215 HB1 ALA 30 HB1 ALA 30 1.326 4.512 2.256 216 HB2 ALA 30 HB2 ALA 30 2.500 3.506 3.137 217 HB3 ALA 30 HB3 ALA 30 0.839 2.913 2.857 218 H VAL 31 H VAL 31 -1.162 2.973 4.606 219 HA VAL 31 HA VAL 31 -3.023 4.746 3.194 220 HB VAL 31 HB VAL 31 -4.106 2.800 5.140 221 HG11 VAL 31 HG11 VAL 31 -5.540 3.746 3.586 222 HG12 VAL 31 HG12 VAL 31 -4.553 3.111 2.235 223 HG13 VAL 31 HG13 VAL 31 -5.422 1.996 3.328 224 HG21 VAL 31 HG21 VAL 31 -3.475 0.839 3.952 225 HG22 VAL 31 HG22 VAL 31 -2.267 1.841 3.092 226 HG23 VAL 31 HG23 VAL 31 -2.237 1.719 4.881 227 H GLY 32 H GLY 32 -2.100 3.776 6.466 228 HA2 GLY 32 HA2 GLY 32 -4.284 5.008 7.807 229 HA3 GLY 32 HA3 GLY 32 -2.708 4.612 8.520 230 H GLU 33 H GLU 33 -1.221 6.037 6.513 231 HA GLU 33 HA GLU 33 -1.390 8.680 7.891 232 HB2 GLU 33 HB2 GLU 33 0.681 7.375 7.615 233 HB3 GLU 33 HB3 GLU 33 0.571 7.588 5.867 234 HG2 GLU 33 HG2 GLU 33 0.913 9.973 6.118 235 HG3 GLU 33 HG3 GLU 33 0.896 9.808 7.889 236 H TYR 34 H TYR 34 -2.075 7.266 4.814 237 HA TYR 34 HA TYR 34 -2.228 9.878 3.631 238 HB2 TYR 34 HB2 TYR 34 -1.249 8.201 2.219 239 HB3 TYR 34 HB3 TYR 34 -2.707 7.198 2.337 240 HD1 TYR 34 HD1 TYR 34 -1.680 10.699 1.339 241 HD2 TYR 34 HD2 TYR 34 -4.326 7.384 0.624 242 HE1 TYR 34 HE1 TYR 34 -2.717 11.927 -0.566 243 HE2 TYR 34 HE2 TYR 34 -5.362 8.623 -1.272 244 HH TYR 34 HH TYR 34 -4.354 11.928 -2.158 245 H ASN 35 H ASN 35 -4.374 7.171 3.854 246 HA ASN 35 HA ASN 35 -6.665 8.693 2.865 247 HB2 ASN 35 HB2 ASN 35 -5.976 5.827 3.550 248 HB3 ASN 35 HB3 ASN 35 -7.689 6.295 3.446 249 HD21 ASN 35 HD21 ASN 35 -5.705 4.643 1.774 250 HD22 ASN 35 HD22 ASN 35 -6.012 5.208 0.149 251 H LYS 36 H LYS 36 -5.888 6.745 5.756 252 HA LYS 36 HA LYS 36 -8.288 7.531 7.167 253 HB2 LYS 36 HB2 LYS 36 -7.147 5.470 7.692 254 HB3 LYS 36 HB3 LYS 36 -5.642 6.337 7.952 255 HG2 LYS 36 HG2 LYS 36 -7.845 7.127 9.759 256 HG3 LYS 36 HG3 LYS 36 -7.222 5.480 9.967 257 HD2 LYS 36 HD2 LYS 36 -5.070 6.193 10.519 258 HD3 LYS 36 HD3 LYS 36 -5.240 7.729 9.668 259 HE2 LYS 36 HE2 LYS 36 -6.898 7.153 12.132 260 HE3 LYS 36 HE3 LYS 36 -5.233 7.762 12.263 261 HZ1 LYS 36 HZ1 LYS 36 -6.991 9.527 12.209 262 HZ2 LYS 36 HZ2 LYS 36 -5.831 9.706 11.053 263 HZ3 LYS 36 HZ3 LYS 36 -7.312 9.125 10.635 264 H ALA 37 H ALA 37 -5.026 8.892 6.906 265 HA ALA 37 HA ALA 37 -5.273 10.566 9.229 266 HB1 ALA 37 HB1 ALA 37 -3.570 11.100 6.844 267 HB2 ALA 37 HB2 ALA 37 -3.293 11.569 8.535 268 HB3 ALA 37 HB3 ALA 37 -3.156 9.856 8.053 269 H SER 38 H SER 38 -6.068 10.782 5.793 270 HA SER 38 HA SER 38 -6.822 13.608 5.903 271 HB2 SER 38 HB2 SER 38 -7.423 11.420 3.872 272 HB3 SER 38 HB3 SER 38 -7.837 13.135 3.671 273 HG SER 38 HG SER 38 -5.341 11.870 3.615 274 H ASN 39 H ASN 39 -8.976 14.422 5.635 275 HA ASN 39 HA ASN 39 -10.978 12.879 7.176 276 HB2 ASN 39 HB2 ASN 39 -10.423 15.371 7.494 277 HB3 ASN 39 HB3 ASN 39 -11.281 15.628 5.968 278 HD21 ASN 39 HD21 ASN 39 -13.327 16.218 6.230 279 HD22 ASN 39 HD22 ASN 39 -14.358 15.755 7.562 280 H ASP 40 H ASP 40 -10.620 11.501 4.981 281 HA ASP 40 HA ASP 40 -12.058 12.420 2.670 282 HB2 ASP 40 HB2 ASP 40 -10.318 10.530 2.830 283 HB3 ASP 40 HB3 ASP 40 -11.653 9.507 3.381 284 H MET 41 H MET 41 -14.121 12.394 2.181 285 HA MET 41 HA MET 41 -16.146 11.882 4.169 286 HB2 MET 41 HB2 MET 41 -16.356 12.323 1.168 287 HB3 MET 41 HB3 MET 41 -17.702 12.414 2.310 288 HG2 MET 41 HG2 MET 41 -16.649 14.329 3.430 289 HG3 MET 41 HG3 MET 41 -15.266 14.236 2.326 290 HE1 MET 41 HE1 MET 41 -15.200 15.147 -0.094 291 HE2 MET 41 HE2 MET 41 -16.280 13.811 -0.558 292 HE3 MET 41 HE3 MET 41 -16.647 15.472 -1.078 293 H TYR 42 H TYR 42 -14.500 9.865 1.933 294 HA TYR 42 HA TYR 42 -16.656 7.791 2.159 295 HB2 TYR 42 HB2 TYR 42 -14.665 8.169 -0.095 296 HB3 TYR 42 HB3 TYR 42 -15.969 6.978 -0.026 297 HD1 TYR 42 HD1 TYR 42 -15.064 10.430 -0.839 298 HD2 TYR 42 HD2 TYR 42 -18.385 7.777 -0.154 299 HE1 TYR 42 HE1 TYR 42 -16.593 12.037 -1.981 300 HE2 TYR 42 HE2 TYR 42 -19.908 9.406 -1.277 301 HH TYR 42 HH TYR 42 -18.739 12.499 -2.613 302 H HIS 43 H HIS 43 -15.773 5.542 2.008 303 HA HIS 43 HA HIS 43 -13.352 5.331 3.678 304 HB2 HIS 43 HB2 HIS 43 -15.241 3.280 2.444 305 HB3 HIS 43 HB3 HIS 43 -13.769 2.836 3.315 306 HD1 HIS 43 HD1 HIS 43 -17.224 4.260 3.926 307 HD2 HIS 43 HD2 HIS 43 -13.885 3.005 6.059 308 HE1 HIS 43 HE1 HIS 43 -17.922 4.132 6.347 309 H SER 44 H SER 44 -11.435 5.596 2.653 310 HA SER 44 HA SER 44 -11.144 4.418 -0.080 311 HB2 SER 44 HB2 SER 44 -9.737 6.810 1.163 312 HB3 SER 44 HB3 SER 44 -9.403 6.136 -0.450 313 HG SER 44 HG SER 44 -11.082 7.994 0.036 314 H ARG 45 H ARG 45 -9.309 3.222 -0.495 315 HA ARG 45 HA ARG 45 -7.540 2.614 1.826 316 HB2 ARG 45 HB2 ARG 45 -9.739 1.140 1.607 317 HB3 ARG 45 HB3 ARG 45 -8.862 0.377 0.281 318 HG2 ARG 45 HG2 ARG 45 -6.978 -0.051 1.992 319 HG3 ARG 45 HG3 ARG 45 -8.151 0.445 3.221 320 HD2 ARG 45 HD2 ARG 45 -8.391 -1.881 3.178 321 HD3 ARG 45 HD3 ARG 45 -9.715 -1.329 2.135 322 HE ARG 45 HE ARG 45 -7.333 -1.859 0.581 323 HH11 ARG 45 HH11 ARG 45 -9.949 -3.568 2.245 324 HH12 ARG 45 HH12 ARG 45 -9.806 -4.970 1.218 325 HH21 ARG 45 HH21 ARG 45 -7.227 -3.695 -0.698 326 HH22 ARG 45 HH22 ARG 45 -8.317 -5.026 -0.418 327 H ALA 46 H ALA 46 -5.646 1.370 1.193 328 HA ALA 46 HA ALA 46 -4.834 1.550 -1.626 329 HB1 ALA 46 HB1 ALA 46 -2.989 -0.130 -0.688 330 HB2 ALA 46 HB2 ALA 46 -2.934 1.533 -0.063 331 HB3 ALA 46 HB3 ALA 46 -3.660 0.250 0.938 332 H LEU 47 H LEU 47 -6.308 0.424 -2.878 333 HA LEU 47 HA LEU 47 -7.769 -1.876 -1.922 334 HB2 LEU 47 HB2 LEU 47 -7.222 -0.618 -4.590 335 HB3 LEU 47 HB3 LEU 47 -7.859 -2.243 -4.559 336 HG LEU 47 HG LEU 47 -9.931 -1.537 -3.678 337 HD11 LEU 47 HD11 LEU 47 -8.715 1.218 -3.387 338 HD12 LEU 47 HD12 LEU 47 -10.452 0.844 -3.262 339 HD13 LEU 47 HD13 LEU 47 -9.312 0.167 -2.087 340 HD21 LEU 47 HD21 LEU 47 -9.219 -1.280 -6.106 341 HD22 LEU 47 HD22 LEU 47 -10.610 -0.275 -5.610 342 HD23 LEU 47 HD23 LEU 47 -8.994 0.454 -5.784 343 H GLN 48 H GLN 48 -5.022 -1.404 -4.076 344 HA GLN 48 HA GLN 48 -4.338 -4.284 -3.812 345 HB2 GLN 48 HB2 GLN 48 -5.957 -3.893 -5.702 346 HB3 GLN 48 HB3 GLN 48 -4.817 -2.758 -6.410 347 HG2 GLN 48 HG2 GLN 48 -3.208 -4.487 -6.851 348 HG3 GLN 48 HG3 GLN 48 -4.113 -5.655 -5.872 349 HE21 GLN 48 HE21 GLN 48 -5.107 -3.357 -8.471 350 HE22 GLN 48 HE22 GLN 48 -5.842 -4.595 -9.453 351 H VAL 49 H VAL 49 -2.198 -4.374 -3.340 352 HA VAL 49 HA VAL 49 -0.510 -2.108 -4.087 353 HB VAL 49 HB VAL 49 -0.094 -4.534 -2.356 354 HG11 VAL 49 HG11 VAL 49 2.358 -4.159 -2.337 355 HG12 VAL 49 HG12 VAL 49 1.800 -4.757 -3.907 356 HG13 VAL 49 HG13 VAL 49 2.184 -3.028 -3.692 357 HG21 VAL 49 HG21 VAL 49 -0.628 -2.266 -1.403 358 HG22 VAL 49 HG22 VAL 49 0.958 -2.846 -0.887 359 HG23 VAL 49 HG23 VAL 49 0.848 -1.581 -2.152 360 H VAL 50 H VAL 50 0.558 -1.942 -5.886 361 HA VAL 50 HA VAL 50 0.416 -4.147 -7.833 362 HB VAL 50 HB VAL 50 1.819 -1.431 -8.078 363 HG11 VAL 50 HG11 VAL 50 0.794 -3.374 -10.206 364 HG12 VAL 50 HG12 VAL 50 1.573 -1.803 -10.514 365 HG13 VAL 50 HG13 VAL 50 2.497 -3.119 -9.773 366 HG21 VAL 50 HG21 VAL 50 -0.496 -1.017 -7.587 367 HG22 VAL 50 HG22 VAL 50 -0.209 -0.721 -9.309 368 HG23 VAL 50 HG23 VAL 50 -1.009 -2.224 -8.791 369 H ARG 51 H ARG 51 2.759 -2.240 -5.929 370 HA ARG 51 HA ARG 51 4.759 -4.447 -6.166 371 HB2 ARG 51 HB2 ARG 51 5.390 -1.533 -6.805 372 HB3 ARG 51 HB3 ARG 51 6.547 -2.854 -6.735 373 HG2 ARG 51 HG2 ARG 51 4.335 -2.573 -8.793 374 HG3 ARG 51 HG3 ARG 51 6.035 -2.167 -9.041 375 HD2 ARG 51 HD2 ARG 51 6.645 -4.518 -8.544 376 HD3 ARG 51 HD3 ARG 51 4.930 -4.904 -8.395 377 HE ARG 51 HE ARG 51 6.336 -4.147 -10.898 378 HH11 ARG 51 HH11 ARG 51 3.447 -5.497 -9.345 379 HH12 ARG 51 HH12 ARG 51 2.807 -6.067 -10.869 380 HH21 ARG 51 HH21 ARG 51 5.428 -4.887 -12.782 381 HH22 ARG 51 HH22 ARG 51 3.895 -5.716 -12.765 382 H ALA 52 H ALA 52 6.223 -4.483 -4.406 383 HA ALA 52 HA ALA 52 6.044 -2.242 -2.478 384 HB1 ALA 52 HB1 ALA 52 5.582 -5.168 -1.791 385 HB2 ALA 52 HB2 ALA 52 5.818 -3.855 -0.614 386 HB3 ALA 52 HB3 ALA 52 4.393 -3.845 -1.669 387 H ARG 53 H ARG 53 7.983 -1.611 -1.967 388 HA ARG 53 HA ARG 53 10.223 -3.565 -2.368 389 HB2 ARG 53 HB2 ARG 53 10.423 -0.623 -2.903 390 HB3 ARG 53 HB3 ARG 53 11.535 -1.897 -3.346 391 HG2 ARG 53 HG2 ARG 53 10.578 -0.981 -5.244 392 HG3 ARG 53 HG3 ARG 53 10.027 -2.643 -5.054 393 HD2 ARG 53 HD2 ARG 53 7.866 -2.040 -4.749 394 HD3 ARG 53 HD3 ARG 53 8.311 -0.502 -4.019 395 HE ARG 53 HE ARG 53 7.737 0.414 -6.030 396 HH11 ARG 53 HH11 ARG 53 9.335 -2.687 -6.866 397 HH12 ARG 53 HH12 ARG 53 9.248 -2.312 -8.565 398 HH21 ARG 53 HH21 ARG 53 7.622 0.717 -8.139 399 HH22 ARG 53 HH22 ARG 53 8.316 -0.421 -9.278 400 H LYS 54 H LYS 54 12.189 -3.001 -1.500 401 HA LYS 54 HA LYS 54 12.285 -0.697 0.255 402 HB2 LYS 54 HB2 LYS 54 13.309 -1.971 2.174 403 HB3 LYS 54 HB3 LYS 54 11.585 -2.152 1.983 404 HG2 LYS 54 HG2 LYS 54 13.639 -4.234 1.069 405 HG3 LYS 54 HG3 LYS 54 12.830 -4.256 2.632 406 HD2 LYS 54 HD2 LYS 54 11.597 -4.760 -0.104 407 HD3 LYS 54 HD3 LYS 54 11.679 -5.854 1.268 408 HE2 LYS 54 HE2 LYS 54 10.062 -3.264 1.293 409 HE3 LYS 54 HE3 LYS 54 9.402 -4.816 0.805 410 HZ1 LYS 54 HZ1 LYS 54 10.595 -4.267 3.437 411 HZ2 LYS 54 HZ2 LYS 54 8.975 -4.302 3.119 412 HZ3 LYS 54 HZ3 LYS 54 9.879 -5.678 2.966 413 H GLN 55 H GLN 55 14.295 0.154 0.436 414 HA GLN 55 HA GLN 55 16.441 -1.162 -1.149 415 HB2 GLN 55 HB2 GLN 55 15.993 1.046 -1.889 416 HB3 GLN 55 HB3 GLN 55 15.855 1.657 -0.247 417 HG2 GLN 55 HG2 GLN 55 18.507 0.556 -1.122 418 HG3 GLN 55 HG3 GLN 55 17.994 2.131 -1.745 419 HE21 GLN 55 HE21 GLN 55 19.926 0.909 0.480 420 HE22 GLN 55 HE22 GLN 55 19.688 2.055 1.789 421 H ILE 56 H ILE 56 18.128 -2.051 -0.187 422 HA ILE 56 HA ILE 56 18.295 -1.877 2.784 423 HB ILE 56 HB ILE 56 19.486 -3.841 0.803 424 HG12 ILE 56 HG12 ILE 56 17.172 -3.963 2.783 425 HG13 ILE 56 HG13 ILE 56 17.044 -3.988 1.023 426 HG21 ILE 56 HG21 ILE 56 19.555 -3.861 3.880 427 HG22 ILE 56 HG22 ILE 56 20.186 -5.140 2.813 428 HG23 ILE 56 HG23 ILE 56 20.955 -3.552 2.821 429 HD11 ILE 56 HD11 ILE 56 18.317 -6.135 1.047 430 HD12 ILE 56 HD12 ILE 56 18.143 -6.117 2.821 431 HD13 ILE 56 HD13 ILE 56 16.702 -6.174 1.791 432 H GLY 57 H GLY 57 20.164 -1.040 3.791 433 HA2 GLY 57 HA2 GLY 57 22.714 -0.813 2.708 434 HA3 GLY 57 HA3 GLY 57 21.861 0.667 2.209 435 H ALA 58 H ALA 58 23.324 1.884 3.626 436 HA ALA 58 HA ALA 58 23.314 1.433 6.484 437 HB1 ALA 58 HB1 ALA 58 24.377 3.661 6.589 438 HB2 ALA 58 HB2 ALA 58 25.132 2.670 5.319 439 HB3 ALA 58 HB3 ALA 58 23.975 3.953 4.881 440 H GLY 59 H GLY 59 21.208 2.991 4.205 441 HA2 GLY 59 HA2 GLY 59 19.412 3.846 6.421 442 HA3 GLY 59 HA3 GLY 59 19.585 4.770 4.901 443 H VAL 60 H VAL 60 17.064 3.606 5.625 444 HA VAL 60 HA VAL 60 16.897 1.437 3.567 445 HB VAL 60 HB VAL 60 15.431 1.580 6.248 446 HG11 VAL 60 HG11 VAL 60 14.399 -0.591 5.588 447 HG12 VAL 60 HG12 VAL 60 13.909 0.725 4.507 448 HG13 VAL 60 HG13 VAL 60 15.141 -0.446 3.980 449 HG21 VAL 60 HG21 VAL 60 17.729 0.741 6.481 450 HG22 VAL 60 HG22 VAL 60 16.574 -0.584 6.709 451 HG23 VAL 60 HG23 VAL 60 17.459 -0.428 5.171 452 H ASN 61 H ASN 61 15.419 1.861 2.000 453 HA ASN 61 HA ASN 61 13.384 3.978 2.605 454 HB2 ASN 61 HB2 ASN 61 15.408 4.671 1.171 455 HB3 ASN 61 HB3 ASN 61 14.725 3.632 -0.084 456 HD21 ASN 61 HD21 ASN 61 14.931 5.983 -0.962 457 HD22 ASN 61 HD22 ASN 61 13.450 6.904 -0.883 458 H TYR 62 H TYR 62 11.404 3.170 2.505 459 HA TYR 62 HA TYR 62 10.919 0.677 0.971 460 HB2 TYR 62 HB2 TYR 62 9.185 2.352 2.835 461 HB3 TYR 62 HB3 TYR 62 8.647 0.872 2.039 462 HD1 TYR 62 HD1 TYR 62 9.378 -1.323 2.816 463 HD2 TYR 62 HD2 TYR 62 10.835 2.262 4.699 464 HE1 TYR 62 HE1 TYR 62 10.220 -2.661 4.757 465 HE2 TYR 62 HE2 TYR 62 11.666 0.897 6.618 466 HH TYR 62 HH TYR 62 11.269 -2.627 6.784 467 H PHE 63 H PHE 63 9.675 0.616 -0.959 468 HA PHE 63 HA PHE 63 8.316 3.207 -1.662 469 HB2 PHE 63 HB2 PHE 63 9.575 1.133 -3.499 470 HB3 PHE 63 HB3 PHE 63 8.735 2.595 -4.023 471 HD1 PHE 63 HD1 PHE 63 11.797 1.248 -2.387 472 HD2 PHE 63 HD2 PHE 63 9.882 4.737 -4.022 473 HE1 PHE 63 HE1 PHE 63 13.970 2.452 -2.335 474 HE2 PHE 63 HE2 PHE 63 12.063 5.941 -4.002 475 HZ PHE 63 HZ PHE 63 14.112 4.798 -3.163 476 H LEU 64 H LEU 64 6.109 2.908 -1.976 477 HA LEU 64 HA LEU 64 5.156 0.074 -2.298 478 HB2 LEU 64 HB2 LEU 64 3.807 2.327 -0.770 479 HB3 LEU 64 HB3 LEU 64 3.138 0.742 -1.059 480 HG LEU 64 HG LEU 64 3.641 0.581 1.113 481 HD11 LEU 64 HD11 LEU 64 5.488 -0.841 1.535 482 HD12 LEU 64 HD12 LEU 64 4.976 -1.190 -0.128 483 HD13 LEU 64 HD13 LEU 64 6.416 -0.191 0.173 484 HD21 LEU 64 HD21 LEU 64 4.610 2.834 1.307 485 HD22 LEU 64 HD22 LEU 64 5.535 1.662 2.251 486 HD23 LEU 64 HD23 LEU 64 6.167 2.234 0.697 487 H ASP 65 H ASP 65 3.871 -0.157 -4.053 488 HA ASP 65 HA ASP 65 2.590 2.344 -5.141 489 HB2 ASP 65 HB2 ASP 65 3.769 -0.039 -6.687 490 HB3 ASP 65 HB3 ASP 65 2.854 1.287 -7.415 491 H VAL 66 H VAL 66 0.784 2.369 -5.538 492 HA VAL 66 HA VAL 66 -0.931 0.097 -5.061 493 HB VAL 66 HB VAL 66 -0.062 1.747 -2.909 494 HG11 VAL 66 HG11 VAL 66 -2.044 3.123 -3.548 495 HG12 VAL 66 HG12 VAL 66 -3.065 1.666 -3.366 496 HG13 VAL 66 HG13 VAL 66 -2.178 2.348 -1.971 497 HG21 VAL 66 HG21 VAL 66 -2.176 -0.296 -3.060 498 HG22 VAL 66 HG22 VAL 66 -0.435 -0.535 -3.115 499 HG23 VAL 66 HG23 VAL 66 -1.127 0.193 -1.686 500 H GLU 67 H GLU 67 -2.920 0.040 -5.460 501 HA GLU 67 HA GLU 67 -3.962 2.148 -7.250 502 HB2 GLU 67 HB2 GLU 67 -4.045 -0.328 -7.777 503 HB3 GLU 67 HB3 GLU 67 -5.194 -0.502 -6.443 504 HG2 GLU 67 HG2 GLU 67 -6.685 1.129 -7.580 505 HG3 GLU 67 HG3 GLU 67 -5.538 1.178 -8.935 506 H LEU 68 H LEU 68 -5.410 3.610 -6.599 507 HA LEU 68 HA LEU 68 -6.733 3.249 -3.945 508 HB2 LEU 68 HB2 LEU 68 -5.953 5.623 -5.562 509 HB3 LEU 68 HB3 LEU 68 -7.412 5.751 -4.605 510 HG LEU 68 HG LEU 68 -5.193 6.655 -3.674 511 HD11 LEU 68 HD11 LEU 68 -7.355 6.491 -2.494 512 HD12 LEU 68 HD12 LEU 68 -6.931 4.843 -1.968 513 HD13 LEU 68 HD13 LEU 68 -5.972 6.244 -1.423 514 HD21 LEU 68 HD21 LEU 68 -3.858 4.563 -3.994 515 HD22 LEU 68 HD22 LEU 68 -3.851 5.189 -2.333 516 HD23 LEU 68 HD23 LEU 68 -4.862 3.784 -2.751 517 H GLY 69 H GLY 69 -8.849 3.641 -3.638 518 HA2 GLY 69 HA2 GLY 69 -10.753 4.202 -5.676 519 HA3 GLY 69 HA3 GLY 69 -10.639 2.433 -5.409 520 H ARG 70 H ARG 70 -12.982 3.239 -4.563 521 HA ARG 70 HA ARG 70 -12.674 3.799 -1.641 522 HB2 ARG 70 HB2 ARG 70 -14.927 4.682 -3.485 523 HB3 ARG 70 HB3 ARG 70 -14.774 5.049 -1.757 524 HG2 ARG 70 HG2 ARG 70 -12.718 6.341 -2.227 525 HG3 ARG 70 HG3 ARG 70 -12.874 5.965 -3.950 526 HD2 ARG 70 HD2 ARG 70 -15.115 7.080 -3.922 527 HD3 ARG 70 HD3 ARG 70 -14.761 7.619 -2.268 528 HE ARG 70 HE ARG 70 -13.543 8.582 -4.788 529 HH11 ARG 70 HH11 ARG 70 -13.219 8.529 -1.267 530 HH12 ARG 70 HH12 ARG 70 -12.172 9.915 -1.239 531 HH21 ARG 70 HH21 ARG 70 -12.218 10.296 -4.706 532 HH22 ARG 70 HH22 ARG 70 -11.619 10.917 -3.174 533 H THR 71 H THR 71 -14.019 2.570 -0.271 534 HA THR 71 HA THR 71 -15.121 0.179 -1.646 535 HB THR 71 HB THR 71 -15.244 -0.819 0.635 536 HG1 THR 71 HG1 THR 71 -15.445 1.056 1.870 537 HG21 THR 71 HG21 THR 71 -13.193 -1.083 -0.759 538 HG22 THR 71 HG22 THR 71 -12.509 0.372 0.014 539 HG23 THR 71 HG23 THR 71 -12.846 -1.078 0.985 540 H THR 72 H THR 72 -17.213 -0.489 -1.476 541 HA THR 72 HA THR 72 -19.157 1.651 -0.981 542 HB THR 72 HB THR 72 -20.804 -0.257 -1.503 543 HG1 THR 72 HG1 THR 72 -18.545 -1.646 -2.487 544 HG21 THR 72 HG21 THR 72 -20.102 1.304 -3.247 545 HG22 THR 72 HG22 THR 72 -18.602 0.380 -3.509 546 HG23 THR 72 HG23 THR 72 -20.177 -0.345 -3.904 547 H CYS 73 H CYS 73 -17.761 -0.948 0.815 548 HA CYS 73 HA CYS 73 -19.918 -0.838 2.854 549 HB2 CYS 73 HB2 CYS 73 -18.643 -2.712 3.884 550 HB3 CYS 73 HB3 CYS 73 -19.228 -3.064 2.251 551 H THR 74 H THR 74 -18.919 -1.222 5.132 552 HA THR 74 HA THR 74 -16.891 0.902 5.540 553 HB THR 74 HB THR 74 -17.952 1.587 7.514 554 HG1 THR 74 HG1 THR 74 -19.368 0.212 8.649 555 HG21 THR 74 HG21 THR 74 -20.245 1.877 7.143 556 HG22 THR 74 HG22 THR 74 -19.492 1.888 5.532 557 HG23 THR 74 HG23 THR 74 -20.353 0.430 6.118 558 H LYS 75 H LYS 75 -15.819 0.744 7.597 559 HA LYS 75 HA LYS 75 -14.320 -1.629 7.900 560 HB2 LYS 75 HB2 LYS 75 -13.539 -0.451 10.001 561 HB3 LYS 75 HB3 LYS 75 -13.491 0.564 8.550 562 HG2 LYS 75 HG2 LYS 75 -15.717 1.583 9.213 563 HG3 LYS 75 HG3 LYS 75 -15.671 0.626 10.709 564 HD2 LYS 75 HD2 LYS 75 -13.557 1.736 11.350 565 HD3 LYS 75 HD3 LYS 75 -13.598 2.677 9.844 566 HE2 LYS 75 HE2 LYS 75 -15.787 3.645 10.539 567 HE3 LYS 75 HE3 LYS 75 -15.667 2.763 12.078 568 HZ1 LYS 75 HZ1 LYS 75 -13.627 3.999 12.542 569 HZ2 LYS 75 HZ2 LYS 75 -13.753 4.818 11.115 570 HZ3 LYS 75 HZ3 LYS 75 -14.883 5.040 12.294 571 H THR 76 H THR 76 -17.323 -0.768 9.343 572 HA THR 76 HA THR 76 -17.080 -2.859 11.431 573 HB THR 76 HB THR 76 -19.441 -1.783 11.574 574 HG1 THR 76 HG1 THR 76 -19.443 0.357 11.062 575 HG21 THR 76 HG21 THR 76 -18.536 -0.151 13.267 576 HG22 THR 76 HG22 THR 76 -17.789 -1.755 13.434 577 HG23 THR 76 HG23 THR 76 -16.909 -0.446 12.609 578 H GLN 77 H GLN 77 -18.539 -2.230 8.543 579 HA GLN 77 HA GLN 77 -20.965 -3.672 8.744 580 HB2 GLN 77 HB2 GLN 77 -19.331 -2.676 6.464 581 HB3 GLN 77 HB3 GLN 77 -20.521 -3.936 6.120 582 HG2 GLN 77 HG2 GLN 77 -22.252 -2.545 7.319 583 HG3 GLN 77 HG3 GLN 77 -21.059 -1.248 7.410 584 HE21 GLN 77 HE21 GLN 77 -23.182 -0.436 6.172 585 HE22 GLN 77 HE22 GLN 77 -23.007 -0.468 4.433 586 HA PRO 78 HA PRO 78 -19.965 -7.849 8.773 587 HB2 PRO 78 HB2 PRO 78 -22.190 -9.020 7.759 588 HB3 PRO 78 HB3 PRO 78 -22.247 -8.008 9.237 589 HG2 PRO 78 HG2 PRO 78 -22.851 -7.220 6.392 590 HG3 PRO 78 HG3 PRO 78 -23.865 -7.005 7.853 591 HD2 PRO 78 HD2 PRO 78 -22.268 -5.002 6.901 592 HD3 PRO 78 HD3 PRO 78 -22.541 -5.252 8.659 593 H ASN 79 H ASN 79 -19.238 -6.496 5.941 594 HA ASN 79 HA ASN 79 -19.074 -9.132 4.541 595 HB2 ASN 79 HB2 ASN 79 -19.775 -6.464 3.266 596 HB3 ASN 79 HB3 ASN 79 -19.624 -8.011 2.419 597 HD21 ASN 79 HD21 ASN 79 -21.056 -9.798 3.346 598 HD22 ASN 79 HD22 ASN 79 -22.684 -9.316 3.744 599 H LEU 80 H LEU 80 -16.869 -7.779 6.010 600 HA LEU 80 HA LEU 80 -15.263 -6.278 4.249 601 HB2 LEU 80 HB2 LEU 80 -14.739 -7.753 6.767 602 HB3 LEU 80 HB3 LEU 80 -13.350 -7.332 5.777 603 HG LEU 80 HG LEU 80 -14.143 -4.937 5.802 604 HD11 LEU 80 HD11 LEU 80 -15.565 -4.255 7.680 605 HD12 LEU 80 HD12 LEU 80 -16.441 -5.203 6.473 606 HD13 LEU 80 HD13 LEU 80 -15.940 -5.960 8.005 607 HD21 LEU 80 HD21 LEU 80 -13.401 -6.286 8.419 608 HD22 LEU 80 HD22 LEU 80 -12.286 -5.768 7.128 609 HD23 LEU 80 HD23 LEU 80 -13.204 -4.556 8.049 610 H ASP 81 H ASP 81 -15.649 -9.742 3.958 611 HA ASP 81 HA ASP 81 -13.044 -9.899 2.556 612 HB2 ASP 81 HB2 ASP 81 -15.134 -12.051 2.377 613 HB3 ASP 81 HB3 ASP 81 -13.379 -12.199 2.543 614 H ASN 82 H ASN 82 -16.488 -9.936 1.858 615 HA ASN 82 HA ASN 82 -16.028 -10.470 -0.981 616 HB2 ASN 82 HB2 ASN 82 -17.832 -11.605 0.274 617 HB3 ASN 82 HB3 ASN 82 -18.609 -10.039 0.567 618 HD21 ASN 82 HD21 ASN 82 -17.394 -12.063 -2.114 619 HD22 ASN 82 HD22 ASN 82 -18.687 -11.637 -3.209 620 H CYS 83 H CYS 83 -17.121 -7.728 1.014 621 HA CYS 83 HA CYS 83 -18.068 -6.170 -1.187 622 HB2 CYS 83 HB2 CYS 83 -18.720 -5.282 0.830 623 HB3 CYS 83 HB3 CYS 83 -17.166 -5.620 1.602 624 HA PRO 84 HA PRO 84 -13.909 -4.233 -1.668 625 HB2 PRO 84 HB2 PRO 84 -11.584 -5.298 -0.715 626 HB3 PRO 84 HB3 PRO 84 -12.571 -4.111 0.199 627 HG2 PRO 84 HG2 PRO 84 -12.515 -7.088 0.426 628 HG3 PRO 84 HG3 PRO 84 -12.419 -5.843 1.715 629 HD2 PRO 84 HD2 PRO 84 -14.729 -7.108 1.110 630 HD3 PRO 84 HD3 PRO 84 -14.698 -5.379 1.599 631 H PHE 85 H PHE 85 -14.006 -7.822 -1.500 632 HA PHE 85 HA PHE 85 -12.331 -8.333 -3.752 633 HB2 PHE 85 HB2 PHE 85 -13.317 -10.068 -2.238 634 HB3 PHE 85 HB3 PHE 85 -14.897 -9.752 -2.962 635 HD1 PHE 85 HD1 PHE 85 -11.478 -11.058 -3.642 636 HD2 PHE 85 HD2 PHE 85 -15.513 -10.668 -5.086 637 HE1 PHE 85 HE1 PHE 85 -10.982 -12.694 -5.454 638 HE2 PHE 85 HE2 PHE 85 -15.030 -12.304 -6.901 639 HZ PHE 85 HZ PHE 85 -12.759 -13.320 -7.089 640 H HIS 86 H HIS 86 -15.765 -7.370 -3.497 641 HA HIS 86 HA HIS 86 -16.131 -7.507 -6.401 642 HB2 HIS 86 HB2 HIS 86 -17.921 -7.970 -4.672 643 HB3 HIS 86 HB3 HIS 86 -17.917 -6.241 -4.300 644 HD1 HIS 86 HD1 HIS 86 -18.942 -8.688 -6.995 645 HD2 HIS 86 HD2 HIS 86 -19.142 -4.610 -6.202 646 HE1 HIS 86 HE1 HIS 86 -20.530 -7.696 -8.689 647 H ASP 87 H ASP 87 -15.244 -5.051 -4.026 648 HA ASP 87 HA ASP 87 -16.013 -2.819 -5.645 649 HB2 ASP 87 HB2 ASP 87 -14.252 -3.111 -3.250 650 HB3 ASP 87 HB3 ASP 87 -14.230 -1.613 -4.178 651 H GLN 88 H GLN 88 -12.921 -4.649 -5.408 652 HA GLN 88 HA GLN 88 -11.432 -2.825 -6.986 653 HB2 GLN 88 HB2 GLN 88 -11.257 -5.744 -6.454 654 HB3 GLN 88 HB3 GLN 88 -10.351 -5.114 -7.844 655 HG2 GLN 88 HG2 GLN 88 -9.143 -3.640 -6.534 656 HG3 GLN 88 HG3 GLN 88 -10.215 -3.846 -5.137 657 HE21 GLN 88 HE21 GLN 88 -7.942 -5.646 -7.226 658 HE22 GLN 88 HE22 GLN 88 -7.383 -6.712 -5.963 659 HA PRO 89 HA PRO 89 -12.863 -4.629 -10.961 660 HB2 PRO 89 HB2 PRO 89 -15.070 -6.277 -11.184 661 HB3 PRO 89 HB3 PRO 89 -13.401 -6.894 -10.952 662 HG2 PRO 89 HG2 PRO 89 -15.527 -6.414 -8.849 663 HG3 PRO 89 HG3 PRO 89 -14.528 -7.874 -9.107 664 HD2 PRO 89 HD2 PRO 89 -13.883 -6.043 -7.285 665 HD3 PRO 89 HD3 PRO 89 -12.629 -6.873 -8.257 666 H HIS 90 H HIS 90 -15.260 -3.791 -8.493 667 HA HIS 90 HA HIS 90 -17.242 -2.606 -10.220 668 HB2 HIS 90 HB2 HIS 90 -17.669 -3.174 -7.865 669 HB3 HIS 90 HB3 HIS 90 -16.444 -2.012 -7.363 670 HD1 HIS 90 HD1 HIS 90 -18.182 -0.703 -5.945 671 HD2 HIS 90 HD2 HIS 90 -18.998 -0.823 -10.020 672 HE1 HIS 90 HE1 HIS 90 -19.964 1.031 -6.379 673 H LEU 91 H LEU 91 -14.226 -1.393 -8.684 674 HA LEU 91 HA LEU 91 -14.618 1.346 -9.443 675 HB2 LEU 91 HB2 LEU 91 -12.278 -0.321 -8.621 676 HB3 LEU 91 HB3 LEU 91 -11.947 1.197 -9.412 677 HG LEU 91 HG LEU 91 -11.715 1.321 -6.988 678 HD11 LEU 91 HD11 LEU 91 -12.945 3.439 -6.744 679 HD12 LEU 91 HD12 LEU 91 -12.281 3.303 -8.380 680 HD13 LEU 91 HD13 LEU 91 -14.015 3.011 -8.091 681 HD21 LEU 91 HD21 LEU 91 -14.689 0.734 -6.902 682 HD22 LEU 91 HD22 LEU 91 -13.363 -0.118 -6.083 683 HD23 LEU 91 HD23 LEU 91 -13.795 1.519 -5.590 684 H LYS 92 H LYS 92 -15.114 1.841 -11.466 685 HA LYS 92 HA LYS 92 -13.782 0.590 -13.748 686 HB2 LYS 92 HB2 LYS 92 -15.498 3.096 -13.549 687 HB3 LYS 92 HB3 LYS 92 -14.968 2.351 -15.060 688 HG2 LYS 92 HG2 LYS 92 -16.744 0.966 -12.998 689 HG3 LYS 92 HG3 LYS 92 -17.342 1.840 -14.408 690 HD2 LYS 92 HD2 LYS 92 -17.328 -0.227 -15.360 691 HD3 LYS 92 HD3 LYS 92 -15.641 0.184 -15.689 692 HE2 LYS 92 HE2 LYS 92 -15.755 -2.084 -14.814 693 HE3 LYS 92 HE3 LYS 92 -14.964 -1.053 -13.615 694 HZ1 LYS 92 HZ1 LYS 92 -16.547 -2.525 -12.598 695 HZ2 LYS 92 HZ2 LYS 92 -17.031 -0.962 -12.390 696 HZ3 LYS 92 HZ3 LYS 92 -17.789 -1.919 -13.509 697 H ARG 93 H ARG 93 -13.388 3.467 -11.763 698 HA ARG 93 HA ARG 93 -11.169 4.454 -13.449 699 HB2 ARG 93 HB2 ARG 93 -12.159 5.341 -10.696 700 HB3 ARG 93 HB3 ARG 93 -10.906 6.139 -11.646 701 HG2 ARG 93 HG2 ARG 93 -12.656 6.577 -13.423 702 HG3 ARG 93 HG3 ARG 93 -13.865 5.967 -12.272 703 HD2 ARG 93 HD2 ARG 93 -13.836 8.340 -11.988 704 HD3 ARG 93 HD3 ARG 93 -12.955 7.667 -10.603 705 HE ARG 93 HE ARG 93 -11.220 8.331 -12.834 706 HH11 ARG 93 HH11 ARG 93 -12.765 9.715 -9.958 707 HH12 ARG 93 HH12 ARG 93 -11.630 11.061 -9.930 708 HH21 ARG 93 HH21 ARG 93 -9.830 10.052 -12.664 709 HH22 ARG 93 HH22 ARG 93 -10.013 11.216 -11.370 710 H LYS 94 H LYS 94 -9.057 3.924 -13.037 711 HA LYS 94 HA LYS 94 -8.471 2.653 -10.388 712 HB2 LYS 94 HB2 LYS 94 -7.418 2.035 -13.142 713 HB3 LYS 94 HB3 LYS 94 -6.332 1.899 -11.755 714 HG2 LYS 94 HG2 LYS 94 -7.190 -0.261 -12.089 715 HG3 LYS 94 HG3 LYS 94 -8.006 0.399 -10.677 716 HD2 LYS 94 HD2 LYS 94 -10.000 0.885 -12.091 717 HD3 LYS 94 HD3 LYS 94 -9.171 0.098 -13.451 718 HE2 LYS 94 HE2 LYS 94 -10.630 -1.529 -12.392 719 HE3 LYS 94 HE3 LYS 94 -8.950 -1.972 -12.015 720 HZ1 LYS 94 HZ1 LYS 94 -10.693 -0.410 -10.196 721 HZ2 LYS 94 HZ2 LYS 94 -10.503 -2.038 -10.084 722 HZ3 LYS 94 HZ3 LYS 94 -9.205 -1.037 -9.829 723 H ALA 95 H ALA 95 -7.713 4.164 -9.155 724 HA ALA 95 HA ALA 95 -6.036 6.318 -10.316 725 HB1 ALA 95 HB1 ALA 95 -7.154 5.763 -7.535 726 HB2 ALA 95 HB2 ALA 95 -6.110 7.139 -7.932 727 HB3 ALA 95 HB3 ALA 95 -7.713 6.997 -8.679 728 H PHE 96 H PHE 96 -3.789 6.329 -9.873 729 HA PHE 96 HA PHE 96 -2.827 3.981 -8.298 730 HB2 PHE 96 HB2 PHE 96 -0.813 4.024 -9.781 731 HB3 PHE 96 HB3 PHE 96 -2.308 3.527 -10.580 732 HD1 PHE 96 HD1 PHE 96 -3.353 4.885 -12.314 733 HD2 PHE 96 HD2 PHE 96 0.230 6.216 -10.330 734 HE1 PHE 96 HE1 PHE 96 -3.041 6.633 -14.060 735 HE2 PHE 96 HE2 PHE 96 0.547 7.969 -12.070 736 HZ PHE 96 HZ PHE 96 -1.093 8.188 -13.936 737 H CYS 97 H CYS 97 -1.303 4.403 -6.837 738 HA CYS 97 HA CYS 97 -0.270 7.190 -6.558 739 HB2 CYS 97 HB2 CYS 97 -1.350 5.352 -4.397 740 HB3 CYS 97 HB3 CYS 97 -0.615 6.938 -4.132 741 H SER 98 H SER 98 1.668 7.373 -5.337 742 HA SER 98 HA SER 98 3.138 4.824 -4.836 743 HB2 SER 98 HB2 SER 98 4.293 7.359 -6.060 744 HB3 SER 98 HB3 SER 98 5.229 5.951 -5.540 745 HG SER 98 HG SER 98 4.215 4.708 -7.103 746 H PHE 99 H PHE 99 3.884 4.697 -2.848 747 HA PHE 99 HA PHE 99 4.139 7.246 -1.281 748 HB2 PHE 99 HB2 PHE 99 3.288 4.498 -0.299 749 HB3 PHE 99 HB3 PHE 99 3.499 5.940 0.701 750 HD1 PHE 99 HD1 PHE 99 1.994 7.959 0.254 751 HD2 PHE 99 HD2 PHE 99 1.226 4.061 -1.398 752 HE1 PHE 99 HE1 PHE 99 -0.360 8.624 -0.204 753 HE2 PHE 99 HE2 PHE 99 -1.139 4.711 -1.839 754 HZ PHE 99 HZ PHE 99 -1.936 6.999 -1.246 755 H GLN 100 H GLN 100 6.035 7.497 -0.224 756 HA GLN 100 HA GLN 100 7.969 5.197 -0.361 757 HB2 GLN 100 HB2 GLN 100 8.382 6.863 -2.162 758 HB3 GLN 100 HB3 GLN 100 8.498 8.117 -0.930 759 HG2 GLN 100 HG2 GLN 100 10.447 6.951 0.043 760 HG3 GLN 100 HG3 GLN 100 10.380 5.797 -1.297 761 HE21 GLN 100 HE21 GLN 100 12.036 8.344 -0.243 762 HE22 GLN 100 HE22 GLN 100 12.451 9.116 -1.756 763 H ILE 101 H ILE 101 8.706 4.712 1.633 764 HA ILE 101 HA ILE 101 8.547 6.878 3.711 765 HB ILE 101 HB ILE 101 8.284 3.858 4.123 766 HG12 ILE 101 HG12 ILE 101 6.147 5.982 4.519 767 HG13 ILE 101 HG13 ILE 101 6.290 5.046 3.029 768 HG21 ILE 101 HG21 ILE 101 8.047 6.191 6.090 769 HG22 ILE 101 HG22 ILE 101 7.731 4.482 6.473 770 HG23 ILE 101 HG23 ILE 101 9.364 4.996 6.026 771 HD11 ILE 101 HD11 ILE 101 4.570 4.079 4.434 772 HD12 ILE 101 HD12 ILE 101 5.940 2.956 4.322 773 HD13 ILE 101 HD13 ILE 101 5.701 3.924 5.793 774 H TYR 102 H TYR 102 10.533 7.553 4.321 775 HA TYR 102 HA TYR 102 12.791 5.703 3.836 776 HB2 TYR 102 HB2 TYR 102 13.107 8.053 3.187 777 HB3 TYR 102 HB3 TYR 102 12.729 8.566 4.842 778 HD1 TYR 102 HD1 TYR 102 14.398 8.483 6.588 779 HD2 TYR 102 HD2 TYR 102 15.204 6.677 2.765 780 HE1 TYR 102 HE1 TYR 102 16.790 8.175 7.227 781 HE2 TYR 102 HE2 TYR 102 17.593 6.372 3.416 782 HH TYR 102 HH TYR 102 19.198 6.791 5.005 783 H ALA 103 H ALA 103 13.576 4.459 5.498 784 HA ALA 103 HA ALA 103 12.574 5.053 8.205 785 HB1 ALA 103 HB1 ALA 103 13.136 2.748 8.694 786 HB2 ALA 103 HB2 ALA 103 11.943 2.880 7.375 787 HB3 ALA 103 HB3 ALA 103 13.649 2.522 7.003 788 H VAL 104 H VAL 104 13.971 5.444 9.787 789 HA VAL 104 HA VAL 104 16.747 6.018 8.785 790 HB VAL 104 HB VAL 104 15.881 6.700 11.568 791 HG11 VAL 104 HG11 VAL 104 16.803 8.727 11.210 792 HG12 VAL 104 HG12 VAL 104 17.878 7.436 10.611 793 HG13 VAL 104 HG13 VAL 104 16.902 8.413 9.470 794 HG21 VAL 104 HG21 VAL 104 14.449 8.586 10.906 795 HG22 VAL 104 HG22 VAL 104 14.368 7.867 9.274 796 HG23 VAL 104 HG23 VAL 104 13.798 6.963 10.697 797 HA PRO 105 HA PRO 105 16.113 2.395 10.976 798 HB2 PRO 105 HB2 PRO 105 18.308 0.737 10.580 799 HB3 PRO 105 HB3 PRO 105 17.075 1.032 9.308 800 HG2 PRO 105 HG2 PRO 105 19.734 2.406 9.712 801 HG3 PRO 105 HG3 PRO 105 19.064 1.674 8.219 802 HD2 PRO 105 HD2 PRO 105 18.885 4.349 8.733 803 HD3 PRO 105 HD3 PRO 105 17.585 3.455 7.873 804 H TRP 106 H TRP 106 19.029 4.197 11.307 805 HA TRP 106 HA TRP 106 20.191 3.065 13.618 806 HB2 TRP 106 HB2 TRP 106 21.020 4.825 11.899 807 HB3 TRP 106 HB3 TRP 106 20.178 6.013 12.910 808 HD1 TRP 106 HD1 TRP 106 21.348 6.602 15.245 809 HE1 TRP 106 HE1 TRP 106 23.592 6.105 16.320 810 HE3 TRP 106 HE3 TRP 106 22.855 2.919 12.033 811 HZ2 TRP 106 HZ2 TRP 106 25.780 4.321 15.866 812 HZ3 TRP 106 HZ3 TRP 106 25.078 1.827 12.416 813 HH2 TRP 106 HH2 TRP 106 26.518 2.533 14.327 814 H GLN 107 H GLN 107 17.576 5.393 13.203 815 HA GLN 107 HA GLN 107 17.545 5.926 16.115 816 HB2 GLN 107 HB2 GLN 107 16.037 7.187 13.814 817 HB3 GLN 107 HB3 GLN 107 15.942 7.709 15.497 818 HG2 GLN 107 HG2 GLN 107 18.378 7.812 13.678 819 HG3 GLN 107 HG3 GLN 107 17.395 9.182 14.209 820 HE21 GLN 107 HE21 GLN 107 17.132 9.075 16.805 821 HE22 GLN 107 HE22 GLN 107 18.672 8.967 17.622 822 H GLY 108 H GLY 108 16.172 3.694 13.997 823 HA2 GLY 108 HA2 GLY 108 14.496 2.151 14.370 824 HA3 GLY 108 HA3 GLY 108 14.350 2.778 16.022 825 H THR 109 H THR 109 14.072 4.882 13.309 826 HA THR 109 HA THR 109 11.127 5.180 13.733 827 HB THR 109 HB THR 109 11.823 7.605 12.888 828 HG1 THR 109 HG1 THR 109 14.032 7.037 14.510 829 HG21 THR 109 HG21 THR 109 11.984 8.352 15.257 830 HG22 THR 109 HG22 THR 109 10.682 7.161 15.045 831 HG23 THR 109 HG23 THR 109 12.232 6.664 15.767 832 H MET 110 H MET 110 10.088 6.269 11.818 833 HA MET 110 HA MET 110 11.800 6.313 9.420 834 HB2 MET 110 HB2 MET 110 10.204 4.925 8.105 835 HB3 MET 110 HB3 MET 110 10.768 3.987 9.488 836 HG2 MET 110 HG2 MET 110 8.630 4.495 10.663 837 HG3 MET 110 HG3 MET 110 8.056 5.305 9.188 838 HE1 MET 110 HE1 MET 110 6.010 3.779 8.867 839 HE2 MET 110 HE2 MET 110 6.037 2.001 8.902 840 HE3 MET 110 HE3 MET 110 6.371 2.929 10.385 841 H THR 111 H THR 111 10.637 7.553 7.687 842 HA THR 111 HA THR 111 8.306 9.179 8.612 843 HB THR 111 HB THR 111 10.891 10.248 7.393 844 HG1 THR 111 HG1 THR 111 9.865 10.214 10.035 845 HG21 THR 111 HG21 THR 111 9.900 12.466 8.005 846 HG22 THR 111 HG22 THR 111 9.038 11.610 6.708 847 HG23 THR 111 HG23 THR 111 8.370 11.633 8.361 848 H LEU 112 H LEU 112 6.866 9.645 6.892 849 HA LEU 112 HA LEU 112 7.235 8.353 4.384 850 HB2 LEU 112 HB2 LEU 112 5.072 8.992 5.477 851 HB3 LEU 112 HB3 LEU 112 5.428 10.678 5.133 852 HG LEU 112 HG LEU 112 5.396 10.084 2.669 853 HD11 LEU 112 HD11 LEU 112 5.815 7.696 2.906 854 HD12 LEU 112 HD12 LEU 112 4.319 7.497 3.839 855 HD13 LEU 112 HD13 LEU 112 4.251 7.948 2.112 856 HD21 LEU 112 HD21 LEU 112 3.464 11.114 3.821 857 HD22 LEU 112 HD22 LEU 112 2.941 9.965 2.574 858 HD23 LEU 112 HD23 LEU 112 2.877 9.498 4.277 859 H SER 113 H SER 113 8.711 8.893 2.953 860 HA SER 113 HA SER 113 9.849 11.592 2.844 861 HB2 SER 113 HB2 SER 113 11.261 9.587 2.656 862 HB3 SER 113 HB3 SER 113 10.354 9.075 1.220 863 HG SER 113 HG SER 113 11.107 11.538 0.743 864 H LYS 114 H LYS 114 7.475 9.687 1.037 865 HA LYS 114 HA LYS 114 6.835 12.082 -0.536 866 HB2 LYS 114 HB2 LYS 114 7.947 11.542 -2.400 867 HB3 LYS 114 HB3 LYS 114 8.525 10.047 -1.687 868 HG2 LYS 114 HG2 LYS 114 6.332 8.950 -2.426 869 HG3 LYS 114 HG3 LYS 114 5.976 10.437 -3.320 870 HD2 LYS 114 HD2 LYS 114 8.427 8.690 -3.711 871 HD3 LYS 114 HD3 LYS 114 6.964 8.613 -4.700 872 HE2 LYS 114 HE2 LYS 114 7.310 10.979 -5.374 873 HE3 LYS 114 HE3 LYS 114 8.809 11.018 -4.413 874 HZ1 LYS 114 HZ1 LYS 114 9.272 10.520 -6.725 875 HZ2 LYS 114 HZ2 LYS 114 9.663 9.220 -5.785 876 HZ3 LYS 114 HZ3 LYS 114 8.284 9.198 -6.691 877 H SER 115 H SER 115 4.766 12.099 -1.273 878 HA SER 115 HA SER 115 3.200 9.594 -1.297 879 HB2 SER 115 HB2 SER 115 1.386 11.432 -0.314 880 HB3 SER 115 HB3 SER 115 2.196 10.192 0.662 881 HG SER 115 HG SER 115 2.471 12.262 1.576 882 H THR 116 H THR 116 2.547 9.561 -3.376 883 HA THR 116 HA THR 116 1.434 12.123 -4.458 884 HB THR 116 HB THR 116 3.710 11.793 -5.466 885 HG1 THR 116 HG1 THR 116 1.733 11.276 -7.429 886 HG21 THR 116 HG21 THR 116 4.055 10.004 -7.095 887 HG22 THR 116 HG22 THR 116 3.821 9.353 -5.459 888 HG23 THR 116 HG23 THR 116 2.499 9.273 -6.647 889 H CYS 117 H CYS 117 -0.407 11.777 -5.803 890 HA CYS 117 HA CYS 117 -1.374 9.005 -5.967 891 HB2 CYS 117 HB2 CYS 117 -2.109 10.869 -3.868 892 HB3 CYS 117 HB3 CYS 117 -3.515 10.512 -4.865 893 H GLN 118 H GLN 118 -3.539 8.855 -6.874 894 HA GLN 118 HA GLN 118 -4.205 11.074 -8.777 895 HB2 GLN 118 HB2 GLN 118 -4.171 8.056 -9.077 896 HB3 GLN 118 HB3 GLN 118 -5.238 9.049 -10.076 897 HG2 GLN 118 HG2 GLN 118 -2.208 9.279 -9.961 898 HG3 GLN 118 HG3 GLN 118 -3.132 8.457 -11.222 899 HE21 GLN 118 HE21 GLN 118 -5.261 10.375 -11.464 900 HE22 GLN 118 HE22 GLN 118 -4.571 11.807 -12.184 901 H ASP 119 H ASP 119 -6.547 11.270 -9.109 902 HA ASP 119 HA ASP 119 -8.005 10.677 -6.632 903 HB2 ASP 119 HB2 ASP 119 -9.680 12.170 -7.492 904 HB3 ASP 119 HB3 ASP 119 -8.093 12.914 -7.743 905 H ALA 120 H ALA 120 -10.033 9.636 -6.528 906 HA ALA 120 HA ALA 120 -10.787 7.932 -8.851 907 HB1 ALA 120 HB1 ALA 120 -10.604 7.037 -5.927 908 HB2 ALA 120 HB2 ALA 120 -11.227 6.060 -7.278 909 HB3 ALA 120 HB3 ALA 120 -9.512 6.519 -7.231 Start of MODEL 20 1 H1 SER 1 H1 SER 1 28.216 18.704 19.438 2 H2 SER 1 H2 SER 1 26.750 19.045 18.847 3 H3 SER 1 H3 SER 1 28.073 19.464 18.018 4 HA SER 1 HA SER 1 27.203 16.698 18.554 5 HB2 SER 1 HB2 SER 1 27.318 18.226 15.924 6 HB3 SER 1 HB3 SER 1 26.705 16.575 16.172 7 HG SER 1 HG SER 1 24.996 18.082 16.140 8 H SER 2 H SER 2 28.465 15.116 17.125 9 HA SER 2 HA SER 2 31.297 15.562 17.499 10 HB2 SER 2 HB2 SER 2 30.294 13.299 17.554 11 HB3 SER 2 HB3 SER 2 29.772 13.479 15.866 12 HG SER 2 HG SER 2 31.892 13.447 15.209 13 HA PRO 3 HA PRO 3 31.826 17.550 13.543 14 HB2 PRO 3 HB2 PRO 3 34.494 17.250 13.093 15 HB3 PRO 3 HB3 PRO 3 33.881 18.337 14.382 16 HG2 PRO 3 HG2 PRO 3 34.844 15.491 14.610 17 HG3 PRO 3 HG3 PRO 3 35.349 16.928 15.557 18 HD2 PRO 3 HD2 PRO 3 33.488 15.190 16.480 19 HD3 PRO 3 HD3 PRO 3 33.357 16.956 16.790 20 H GLY 4 H GLY 4 32.482 16.961 11.278 21 HA2 GLY 4 HA2 GLY 4 32.842 15.433 9.549 22 HA3 GLY 4 HA3 GLY 4 33.137 14.165 10.753 23 H LYS 5 H LYS 5 31.830 12.880 9.178 24 HA LYS 5 HA LYS 5 28.996 12.885 10.048 25 HB2 LYS 5 HB2 LYS 5 29.916 12.954 7.138 26 HB3 LYS 5 HB3 LYS 5 28.310 12.426 7.646 27 HG2 LYS 5 HG2 LYS 5 27.927 14.678 8.662 28 HG3 LYS 5 HG3 LYS 5 29.471 15.215 7.984 29 HD2 LYS 5 HD2 LYS 5 27.179 14.087 6.321 30 HD3 LYS 5 HD3 LYS 5 27.414 15.816 6.623 31 HE2 LYS 5 HE2 LYS 5 29.441 13.998 5.244 32 HE3 LYS 5 HE3 LYS 5 28.310 15.081 4.413 33 HZ1 LYS 5 HZ1 LYS 5 30.492 16.092 4.669 34 HZ2 LYS 5 HZ2 LYS 5 29.367 16.954 5.513 35 HZ3 LYS 5 HZ3 LYS 5 30.413 15.959 6.311 36 HA PRO 6 HA PRO 6 30.298 8.651 9.967 37 HB2 PRO 6 HB2 PRO 6 27.952 7.276 10.027 38 HB3 PRO 6 HB3 PRO 6 28.510 8.226 11.441 39 HG2 PRO 6 HG2 PRO 6 26.571 9.008 9.278 40 HG3 PRO 6 HG3 PRO 6 26.367 9.094 11.057 41 HD2 PRO 6 HD2 PRO 6 27.126 11.251 9.598 42 HD3 PRO 6 HD3 PRO 6 27.787 10.952 11.244 43 HA PRO 7 HA PRO 7 29.964 7.580 5.697 44 HB2 PRO 7 HB2 PRO 7 30.059 4.837 5.591 45 HB3 PRO 7 HB3 PRO 7 31.495 5.836 5.985 46 HG2 PRO 7 HG2 PRO 7 29.589 4.446 7.863 47 HG3 PRO 7 HG3 PRO 7 31.382 4.398 7.837 48 HD2 PRO 7 HD2 PRO 7 30.044 6.039 9.508 49 HD3 PRO 7 HD3 PRO 7 31.564 6.573 8.707 50 H ARG 8 H ARG 8 28.283 7.283 4.230 51 HA ARG 8 HA ARG 8 25.822 5.993 5.296 52 HB2 ARG 8 HB2 ARG 8 25.823 8.526 5.463 53 HB3 ARG 8 HB3 ARG 8 25.789 8.564 3.700 54 HG2 ARG 8 HG2 ARG 8 23.720 6.771 4.650 55 HG3 ARG 8 HG3 ARG 8 23.605 8.311 5.523 56 HD2 ARG 8 HD2 ARG 8 23.663 9.508 3.331 57 HD3 ARG 8 HD3 ARG 8 23.660 7.936 2.509 58 HE ARG 8 HE ARG 8 21.455 8.159 4.354 59 HH11 ARG 8 HH11 ARG 8 22.478 9.143 1.119 60 HH12 ARG 8 HH12 ARG 8 20.838 9.340 0.560 61 HH21 ARG 8 HH21 ARG 8 19.391 8.439 3.572 62 HH22 ARG 8 HH22 ARG 8 19.128 8.933 1.919 63 H LEU 9 H LEU 9 26.848 4.227 3.990 64 HA LEU 9 HA LEU 9 26.392 4.534 1.056 65 HB2 LEU 9 HB2 LEU 9 27.537 2.299 2.803 66 HB3 LEU 9 HB3 LEU 9 27.135 2.064 1.116 67 HG LEU 9 HG LEU 9 29.500 2.290 1.350 68 HD11 LEU 9 HD11 LEU 9 28.411 3.236 -0.676 69 HD12 LEU 9 HD12 LEU 9 28.413 4.841 0.096 70 HD13 LEU 9 HD13 LEU 9 29.948 4.027 -0.278 71 HD21 LEU 9 HD21 LEU 9 30.647 4.251 2.160 72 HD22 LEU 9 HD22 LEU 9 29.110 5.087 2.471 73 HD23 LEU 9 HD23 LEU 9 29.562 3.656 3.432 74 H VAL 10 H VAL 10 24.961 3.811 -0.028 75 HA VAL 10 HA VAL 10 22.706 2.392 1.270 76 HB VAL 10 HB VAL 10 22.698 5.066 -0.229 77 HG11 VAL 10 HG11 VAL 10 20.329 5.060 0.208 78 HG12 VAL 10 HG12 VAL 10 20.867 3.770 -0.874 79 HG13 VAL 10 HG13 VAL 10 20.474 3.395 0.823 80 HG21 VAL 10 HG21 VAL 10 21.635 5.911 1.917 81 HG22 VAL 10 HG22 VAL 10 22.054 4.354 2.663 82 HG23 VAL 10 HG23 VAL 10 23.333 5.437 2.076 83 H GLY 11 H GLY 11 21.762 0.943 -0.197 84 HA2 GLY 11 HA2 GLY 11 21.825 1.291 -3.029 85 HA3 GLY 11 HA3 GLY 11 23.190 0.266 -2.542 86 H GLY 12 H GLY 12 22.502 -1.675 -3.307 87 HA2 GLY 12 HA2 GLY 12 21.215 -3.565 -3.510 88 HA3 GLY 12 HA3 GLY 12 21.144 -3.414 -1.759 89 HA PRO 13 HA PRO 13 16.974 -1.887 -2.699 90 HB2 PRO 13 HB2 PRO 13 15.945 -1.342 -5.163 91 HB3 PRO 13 HB3 PRO 13 16.869 -0.120 -4.228 92 HG2 PRO 13 HG2 PRO 13 17.823 -1.942 -6.430 93 HG3 PRO 13 HG3 PRO 13 18.061 -0.176 -6.247 94 HD2 PRO 13 HD2 PRO 13 19.956 -1.991 -5.517 95 HD3 PRO 13 HD3 PRO 13 19.714 -0.452 -4.620 96 H MET 14 H MET 14 15.319 -3.393 -2.654 97 HA MET 14 HA MET 14 15.281 -5.533 -4.703 98 HB2 MET 14 HB2 MET 14 15.285 -7.305 -3.023 99 HB3 MET 14 HB3 MET 14 16.798 -6.397 -2.952 100 HG2 MET 14 HG2 MET 14 16.053 -5.198 -0.964 101 HG3 MET 14 HG3 MET 14 14.454 -5.950 -1.063 102 HE1 MET 14 HE1 MET 14 13.805 -8.321 -0.363 103 HE2 MET 14 HE2 MET 14 14.844 -9.039 -1.613 104 HE3 MET 14 HE3 MET 14 14.957 -9.607 0.069 105 H ASP 15 H ASP 15 13.268 -6.508 -4.922 106 HA ASP 15 HA ASP 15 11.051 -5.113 -3.589 107 HB2 ASP 15 HB2 ASP 15 11.249 -7.100 -5.856 108 HB3 ASP 15 HB3 ASP 15 9.715 -6.856 -5.006 109 H ALA 16 H ALA 16 9.714 -6.041 -2.115 110 HA ALA 16 HA ALA 16 10.451 -8.778 -1.054 111 HB1 ALA 16 HB1 ALA 16 11.081 -7.237 0.626 112 HB2 ALA 16 HB2 ALA 16 9.617 -6.253 0.375 113 HB3 ALA 16 HB3 ALA 16 9.489 -7.859 1.118 114 H SER 17 H SER 17 8.619 -9.915 -0.184 115 HA SER 17 HA SER 17 6.278 -9.653 -1.918 116 HB2 SER 17 HB2 SER 17 6.163 -11.310 0.568 117 HB3 SER 17 HB3 SER 17 5.665 -11.717 -1.087 118 HG SER 17 HG SER 17 8.120 -11.985 0.189 119 H VAL 18 H VAL 18 4.081 -9.227 -1.083 120 HA VAL 18 HA VAL 18 4.045 -6.953 0.654 121 HB VAL 18 HB VAL 18 1.616 -7.013 0.429 122 HG11 VAL 18 HG11 VAL 18 1.428 -6.924 -1.980 123 HG12 VAL 18 HG12 VAL 18 3.036 -6.319 -1.527 124 HG13 VAL 18 HG13 VAL 18 2.856 -7.963 -2.183 125 HG21 VAL 18 HG21 VAL 18 1.181 -9.413 0.795 126 HG22 VAL 18 HG22 VAL 18 0.462 -8.898 -0.741 127 HG23 VAL 18 HG23 VAL 18 1.979 -9.823 -0.742 128 H GLU 19 H GLU 19 4.061 -10.279 1.202 129 HA GLU 19 HA GLU 19 2.732 -10.297 3.766 130 HB2 GLU 19 HB2 GLU 19 4.452 -12.215 2.190 131 HB3 GLU 19 HB3 GLU 19 3.779 -12.618 3.786 132 HG2 GLU 19 HG2 GLU 19 1.508 -12.275 2.927 133 HG3 GLU 19 HG3 GLU 19 2.161 -11.798 1.351 134 H GLU 20 H GLU 20 6.030 -9.618 2.649 135 HA GLU 20 HA GLU 20 7.314 -10.311 5.019 136 HB2 GLU 20 HB2 GLU 20 8.063 -8.478 2.848 137 HB3 GLU 20 HB3 GLU 20 8.869 -8.234 4.404 138 HG2 GLU 20 HG2 GLU 20 10.182 -9.699 3.464 139 HG3 GLU 20 HG3 GLU 20 9.074 -10.686 4.460 140 H GLU 21 H GLU 21 8.284 -9.525 6.644 141 HA GLU 21 HA GLU 21 6.510 -8.054 8.056 142 HB2 GLU 21 HB2 GLU 21 9.413 -8.354 8.785 143 HB3 GLU 21 HB3 GLU 21 8.101 -7.985 9.901 144 HG2 GLU 21 HG2 GLU 21 8.239 -10.201 10.323 145 HG3 GLU 21 HG3 GLU 21 7.141 -10.299 8.937 146 H GLY 22 H GLY 22 9.353 -7.155 6.356 147 HA2 GLY 22 HA2 GLY 22 9.480 -4.420 7.272 148 HA3 GLY 22 HA3 GLY 22 10.306 -5.097 5.860 149 H VAL 23 H VAL 23 7.530 -6.074 4.821 150 HA VAL 23 HA VAL 23 6.889 -3.507 3.538 151 HB VAL 23 HB VAL 23 5.840 -6.320 3.060 152 HG11 VAL 23 HG11 VAL 23 4.115 -4.876 2.374 153 HG12 VAL 23 HG12 VAL 23 5.250 -3.670 1.714 154 HG13 VAL 23 HG13 VAL 23 5.018 -5.235 0.904 155 HG21 VAL 23 HG21 VAL 23 8.162 -6.073 2.415 156 HG22 VAL 23 HG22 VAL 23 7.163 -6.083 0.955 157 HG23 VAL 23 HG23 VAL 23 7.805 -4.543 1.569 158 H ARG 24 H ARG 24 5.110 -6.036 5.519 159 HA ARG 24 HA ARG 24 2.641 -4.738 5.522 160 HB2 ARG 24 HB2 ARG 24 3.985 -6.218 7.796 161 HB3 ARG 24 HB3 ARG 24 2.240 -5.895 7.646 162 HG2 ARG 24 HG2 ARG 24 2.414 -7.120 5.376 163 HG3 ARG 24 HG3 ARG 24 3.973 -7.687 5.952 164 HD2 ARG 24 HD2 ARG 24 1.269 -8.296 6.963 165 HD3 ARG 24 HD3 ARG 24 2.578 -9.382 6.491 166 HE ARG 24 HE ARG 24 2.232 -7.993 9.076 167 HH11 ARG 24 HH11 ARG 24 4.299 -10.140 7.140 168 HH12 ARG 24 HH12 ARG 24 5.164 -10.688 8.554 169 HH21 ARG 24 HH21 ARG 24 3.410 -8.742 10.793 170 HH22 ARG 24 HH22 ARG 24 4.683 -9.910 10.560 171 H ARG 25 H ARG 25 5.388 -4.029 7.738 172 HA ARG 25 HA ARG 25 3.889 -2.121 9.269 173 HB2 ARG 25 HB2 ARG 25 6.026 -1.242 9.994 174 HB3 ARG 25 HB3 ARG 25 5.989 -3.007 10.090 175 HG2 ARG 25 HG2 ARG 25 7.944 -3.046 8.992 176 HG3 ARG 25 HG3 ARG 25 7.091 -2.458 7.563 177 HD2 ARG 25 HD2 ARG 25 8.778 -0.888 7.773 178 HD3 ARG 25 HD3 ARG 25 7.449 -0.081 8.616 179 HE ARG 25 HE ARG 25 9.847 -1.354 9.832 180 HH11 ARG 25 HH11 ARG 25 6.927 0.573 10.363 181 HH12 ARG 25 HH12 ARG 25 7.430 1.044 11.963 182 HH21 ARG 25 HH21 ARG 25 10.405 -0.702 11.874 183 HH22 ARG 25 HH22 ARG 25 9.365 0.351 12.789 184 H ALA 26 H ALA 26 5.354 -1.832 6.133 185 HA ALA 26 HA ALA 26 5.347 1.079 6.153 186 HB1 ALA 26 HB1 ALA 26 5.920 -0.943 3.952 187 HB2 ALA 26 HB2 ALA 26 6.129 0.812 3.833 188 HB3 ALA 26 HB3 ALA 26 7.137 -0.125 4.960 189 H LEU 27 H LEU 27 3.539 -1.733 4.896 190 HA LEU 27 HA LEU 27 1.766 -0.376 3.182 191 HB2 LEU 27 HB2 LEU 27 1.108 -2.705 5.055 192 HB3 LEU 27 HB3 LEU 27 0.129 -2.164 3.715 193 HG LEU 27 HG LEU 27 2.724 -3.681 3.617 194 HD11 LEU 27 HD11 LEU 27 1.374 -5.333 2.453 195 HD12 LEU 27 HD12 LEU 27 0.613 -4.932 4.005 196 HD13 LEU 27 HD13 LEU 27 -0.042 -4.253 2.497 197 HD21 LEU 27 HD21 LEU 27 2.434 -3.548 1.161 198 HD22 LEU 27 HD22 LEU 27 1.237 -2.258 1.437 199 HD23 LEU 27 HD23 LEU 27 2.929 -2.045 1.968 200 H ASP 28 H ASP 28 1.249 -1.342 6.603 201 HA ASP 28 HA ASP 28 -1.313 -0.022 6.666 202 HB2 ASP 28 HB2 ASP 28 0.559 -0.980 8.893 203 HB3 ASP 28 HB3 ASP 28 -1.107 -0.434 9.150 204 H PHE 29 H PHE 29 2.004 0.922 7.470 205 HA PHE 29 HA PHE 29 1.247 3.296 8.912 206 HB2 PHE 29 HB2 PHE 29 3.505 2.302 9.018 207 HB3 PHE 29 HB3 PHE 29 3.734 2.625 7.299 208 HD1 PHE 29 HD1 PHE 29 3.614 4.110 10.675 209 HD2 PHE 29 HD2 PHE 29 4.083 4.945 6.482 210 HE1 PHE 29 HE1 PHE 29 4.488 6.381 11.223 211 HE2 PHE 29 HE2 PHE 29 4.954 7.207 7.021 212 HZ PHE 29 HZ PHE 29 5.157 7.933 9.391 213 H ALA 30 H ALA 30 2.123 2.597 5.470 214 HA ALA 30 HA ALA 30 1.873 5.313 4.622 215 HB1 ALA 30 HB1 ALA 30 1.192 2.795 3.062 216 HB2 ALA 30 HB2 ALA 30 1.524 4.401 2.369 217 HB3 ALA 30 HB3 ALA 30 2.815 3.522 3.225 218 H VAL 31 H VAL 31 -0.743 2.827 4.716 219 HA VAL 31 HA VAL 31 -2.712 4.490 3.380 220 HB VAL 31 HB VAL 31 -3.676 2.596 5.443 221 HG11 VAL 31 HG11 VAL 31 -4.958 1.645 3.654 222 HG12 VAL 31 HG12 VAL 31 -5.217 3.372 3.973 223 HG13 VAL 31 HG13 VAL 31 -4.234 2.872 2.573 224 HG21 VAL 31 HG21 VAL 31 -3.020 0.622 4.365 225 HG22 VAL 31 HG22 VAL 31 -1.862 1.607 3.421 226 HG23 VAL 31 HG23 VAL 31 -1.799 1.606 5.219 227 H GLY 32 H GLY 32 -1.729 3.641 6.687 228 HA2 GLY 32 HA2 GLY 32 -3.996 4.759 7.984 229 HA3 GLY 32 HA3 GLY 32 -2.411 4.455 8.726 230 H GLU 33 H GLU 33 -0.939 5.968 6.794 231 HA GLU 33 HA GLU 33 -1.423 8.588 8.178 232 HB2 GLU 33 HB2 GLU 33 0.793 7.534 8.107 233 HB3 GLU 33 HB3 GLU 33 0.846 7.738 6.354 234 HG2 GLU 33 HG2 GLU 33 1.161 10.002 6.499 235 HG3 GLU 33 HG3 GLU 33 0.355 10.122 8.072 236 H TYR 34 H TYR 34 -1.799 7.156 5.075 237 HA TYR 34 HA TYR 34 -2.087 9.755 3.895 238 HB2 TYR 34 HB2 TYR 34 -0.934 8.068 2.574 239 HB3 TYR 34 HB3 TYR 34 -2.444 7.142 2.456 240 HD1 TYR 34 HD1 TYR 34 -0.860 10.445 1.651 241 HD2 TYR 34 HD2 TYR 34 -4.134 7.772 0.840 242 HE1 TYR 34 HE1 TYR 34 -1.606 11.916 -0.220 243 HE2 TYR 34 HE2 TYR 34 -4.883 9.261 -1.019 244 HH TYR 34 HH TYR 34 -4.535 11.243 -2.129 245 H ASN 35 H ASN 35 -4.079 6.908 3.998 246 HA ASN 35 HA ASN 35 -6.415 8.331 2.946 247 HB2 ASN 35 HB2 ASN 35 -5.669 5.476 3.680 248 HB3 ASN 35 HB3 ASN 35 -7.366 5.909 3.376 249 HD21 ASN 35 HD21 ASN 35 -7.544 7.374 1.278 250 HD22 ASN 35 HD22 ASN 35 -6.725 6.691 -0.106 251 H LYS 36 H LYS 36 -5.607 6.463 5.882 252 HA LYS 36 HA LYS 36 -8.150 7.039 7.160 253 HB2 LYS 36 HB2 LYS 36 -6.933 5.060 7.774 254 HB3 LYS 36 HB3 LYS 36 -5.478 5.998 8.073 255 HG2 LYS 36 HG2 LYS 36 -7.777 6.700 9.792 256 HG3 LYS 36 HG3 LYS 36 -7.076 5.091 10.042 257 HD2 LYS 36 HD2 LYS 36 -4.978 5.925 10.636 258 HD3 LYS 36 HD3 LYS 36 -5.214 7.443 9.771 259 HE2 LYS 36 HE2 LYS 36 -6.892 6.781 12.200 260 HE3 LYS 36 HE3 LYS 36 -5.273 7.496 12.363 261 HZ1 LYS 36 HZ1 LYS 36 -5.965 9.385 11.119 262 HZ2 LYS 36 HZ2 LYS 36 -7.398 8.709 10.677 263 HZ3 LYS 36 HZ3 LYS 36 -7.137 9.143 12.253 264 H ALA 37 H ALA 37 -4.988 8.594 7.027 265 HA ALA 37 HA ALA 37 -5.454 10.292 9.302 266 HB1 ALA 37 HB1 ALA 37 -3.495 11.360 8.738 267 HB2 ALA 37 HB2 ALA 37 -3.246 9.673 8.207 268 HB3 ALA 37 HB3 ALA 37 -3.668 10.939 7.025 269 H SER 38 H SER 38 -6.092 10.354 5.837 270 HA SER 38 HA SER 38 -7.031 13.132 5.789 271 HB2 SER 38 HB2 SER 38 -6.023 12.021 3.812 272 HB3 SER 38 HB3 SER 38 -7.387 10.886 3.764 273 HG SER 38 HG SER 38 -7.624 12.696 2.342 274 H ASN 39 H ASN 39 -9.235 13.723 5.177 275 HA ASN 39 HA ASN 39 -11.222 12.032 6.597 276 HB2 ASN 39 HB2 ASN 39 -10.842 14.473 7.181 277 HB3 ASN 39 HB3 ASN 39 -11.513 14.864 5.587 278 HD21 ASN 39 HD21 ASN 39 -12.696 12.164 7.522 279 HD22 ASN 39 HD22 ASN 39 -14.243 12.881 7.891 280 H ASP 40 H ASP 40 -10.689 10.836 4.332 281 HA ASP 40 HA ASP 40 -12.145 11.767 2.034 282 HB2 ASP 40 HB2 ASP 40 -10.359 9.945 2.076 283 HB3 ASP 40 HB3 ASP 40 -11.594 8.861 2.734 284 H MET 41 H MET 41 -14.237 11.751 1.601 285 HA MET 41 HA MET 41 -16.224 11.049 3.567 286 HB2 MET 41 HB2 MET 41 -16.450 11.616 0.585 287 HB3 MET 41 HB3 MET 41 -17.818 11.520 1.699 288 HG2 MET 41 HG2 MET 41 -15.568 13.554 1.923 289 HG3 MET 41 HG3 MET 41 -17.124 13.845 1.133 290 HE1 MET 41 HE1 MET 41 -16.198 14.242 5.560 291 HE2 MET 41 HE2 MET 41 -15.371 12.973 4.629 292 HE3 MET 41 HE3 MET 41 -15.226 14.674 4.137 293 H TYR 42 H TYR 42 -14.625 9.329 0.998 294 HA TYR 42 HA TYR 42 -16.649 7.125 1.133 295 HB2 TYR 42 HB2 TYR 42 -14.390 7.637 -0.828 296 HB3 TYR 42 HB3 TYR 42 -15.589 6.341 -0.939 297 HD1 TYR 42 HD1 TYR 42 -14.871 9.871 -1.597 298 HD2 TYR 42 HD2 TYR 42 -18.006 6.923 -1.433 299 HE1 TYR 42 HE1 TYR 42 -16.363 11.373 -2.918 300 HE2 TYR 42 HE2 TYR 42 -19.490 8.437 -2.754 301 HH TYR 42 HH TYR 42 -18.417 11.647 -3.879 302 H HIS 43 H HIS 43 -15.708 4.892 1.222 303 HA HIS 43 HA HIS 43 -13.394 4.891 3.069 304 HB2 HIS 43 HB2 HIS 43 -15.139 2.690 1.904 305 HB3 HIS 43 HB3 HIS 43 -13.713 2.383 2.899 306 HD1 HIS 43 HD1 HIS 43 -15.338 5.327 4.260 307 HD2 HIS 43 HD2 HIS 43 -15.924 1.219 4.513 308 HE1 HIS 43 HE1 HIS 43 -16.737 4.922 6.320 309 H SER 44 H SER 44 -11.455 5.133 2.172 310 HA SER 44 HA SER 44 -10.861 3.565 -0.298 311 HB2 SER 44 HB2 SER 44 -9.772 6.316 0.394 312 HB3 SER 44 HB3 SER 44 -9.486 5.394 -1.098 313 HG SER 44 HG SER 44 -11.413 7.125 -0.572 314 H ARG 45 H ARG 45 -8.834 2.653 -0.338 315 HA ARG 45 HA ARG 45 -6.874 3.186 1.774 316 HB2 ARG 45 HB2 ARG 45 -6.899 0.960 2.741 317 HB3 ARG 45 HB3 ARG 45 -8.526 1.628 2.886 318 HG2 ARG 45 HG2 ARG 45 -9.106 0.326 0.755 319 HG3 ARG 45 HG3 ARG 45 -7.537 -0.476 0.926 320 HD2 ARG 45 HD2 ARG 45 -9.190 -1.897 1.922 321 HD3 ARG 45 HD3 ARG 45 -8.223 -1.196 3.231 322 HE ARG 45 HE ARG 45 -10.087 -0.040 3.988 323 HH11 ARG 45 HH11 ARG 45 -10.842 -1.315 0.785 324 HH12 ARG 45 HH12 ARG 45 -12.529 -0.867 0.911 325 HH21 ARG 45 HH21 ARG 45 -12.266 0.466 4.063 326 HH22 ARG 45 HH22 ARG 45 -13.305 0.091 2.707 327 H ALA 46 H ALA 46 -4.975 1.635 1.383 328 HA ALA 46 HA ALA 46 -4.366 1.360 -1.428 329 HB1 ALA 46 HB1 ALA 46 -2.524 -0.208 -0.438 330 HB2 ALA 46 HB2 ALA 46 -2.474 1.500 0.080 331 HB3 ALA 46 HB3 ALA 46 -3.152 0.271 1.179 332 H LEU 47 H LEU 47 -5.831 0.119 -2.545 333 HA LEU 47 HA LEU 47 -7.137 -2.194 -1.360 334 HB2 LEU 47 HB2 LEU 47 -6.926 -0.940 -4.097 335 HB3 LEU 47 HB3 LEU 47 -7.554 -2.566 -3.941 336 HG LEU 47 HG LEU 47 -8.820 -0.066 -2.818 337 HD11 LEU 47 HD11 LEU 47 -10.431 -0.619 -4.609 338 HD12 LEU 47 HD12 LEU 47 -8.798 -0.383 -5.268 339 HD13 LEU 47 HD13 LEU 47 -9.441 -2.029 -5.070 340 HD21 LEU 47 HD21 LEU 47 -9.692 -2.995 -2.723 341 HD22 LEU 47 HD22 LEU 47 -9.340 -1.948 -1.329 342 HD23 LEU 47 HD23 LEU 47 -10.752 -1.612 -2.356 343 H GLN 48 H GLN 48 -4.621 -1.587 -3.749 344 HA GLN 48 HA GLN 48 -3.801 -4.441 -3.621 345 HB2 GLN 48 HB2 GLN 48 -5.531 -4.107 -5.390 346 HB3 GLN 48 HB3 GLN 48 -4.568 -2.811 -6.090 347 HG2 GLN 48 HG2 GLN 48 -2.816 -4.356 -6.736 348 HG3 GLN 48 HG3 GLN 48 -3.611 -5.680 -5.864 349 HE21 GLN 48 HE21 GLN 48 -4.082 -3.363 -8.559 350 HE22 GLN 48 HE22 GLN 48 -5.115 -4.422 -9.474 351 H VAL 49 H VAL 49 -1.645 -4.427 -3.272 352 HA VAL 49 HA VAL 49 -0.119 -2.035 -3.983 353 HB VAL 49 HB VAL 49 0.450 -4.443 -2.290 354 HG11 VAL 49 HG11 VAL 49 2.874 -3.945 -2.282 355 HG12 VAL 49 HG12 VAL 49 2.346 -4.553 -3.856 356 HG13 VAL 49 HG13 VAL 49 2.651 -2.811 -3.625 357 HG21 VAL 49 HG21 VAL 49 1.233 -1.439 -2.099 358 HG22 VAL 49 HG22 VAL 49 -0.209 -2.196 -1.352 359 HG23 VAL 49 HG23 VAL 49 1.402 -2.694 -0.821 360 H VAL 50 H VAL 50 0.990 -1.770 -5.763 361 HA VAL 50 HA VAL 50 0.916 -3.909 -7.788 362 HB VAL 50 HB VAL 50 2.190 -1.124 -7.954 363 HG11 VAL 50 HG11 VAL 50 1.231 -3.025 -10.151 364 HG12 VAL 50 HG12 VAL 50 1.985 -1.429 -10.393 365 HG13 VAL 50 HG13 VAL 50 2.929 -2.764 -9.699 366 HG21 VAL 50 HG21 VAL 50 -0.610 -2.021 -8.700 367 HG22 VAL 50 HG22 VAL 50 -0.159 -0.848 -7.440 368 HG23 VAL 50 HG23 VAL 50 0.119 -0.461 -9.145 369 H ARG 51 H ARG 51 3.229 -1.993 -5.843 370 HA ARG 51 HA ARG 51 5.285 -4.118 -6.242 371 HB2 ARG 51 HB2 ARG 51 5.859 -1.149 -6.609 372 HB3 ARG 51 HB3 ARG 51 7.022 -2.464 -6.711 373 HG2 ARG 51 HG2 ARG 51 4.748 -2.005 -8.657 374 HG3 ARG 51 HG3 ARG 51 6.432 -1.529 -8.913 375 HD2 ARG 51 HD2 ARG 51 7.135 -3.876 -8.748 376 HD3 ARG 51 HD3 ARG 51 5.459 -4.352 -8.452 377 HE ARG 51 HE ARG 51 5.707 -2.891 -10.913 378 HH11 ARG 51 HH11 ARG 51 6.119 -6.094 -9.498 379 HH12 ARG 51 HH12 ARG 51 5.906 -6.906 -11.026 380 HH21 ARG 51 HH21 ARG 51 5.435 -3.992 -12.835 381 HH22 ARG 51 HH22 ARG 51 5.519 -5.731 -12.880 382 H ALA 52 H ALA 52 6.567 -4.411 -4.462 383 HA ALA 52 HA ALA 52 6.463 -2.382 -2.270 384 HB1 ALA 52 HB1 ALA 52 6.375 -4.345 -0.686 385 HB2 ALA 52 HB2 ALA 52 4.869 -4.092 -1.586 386 HB3 ALA 52 HB3 ALA 52 5.987 -5.391 -2.066 387 H ARG 53 H ARG 53 8.489 -1.742 -2.026 388 HA ARG 53 HA ARG 53 10.611 -3.778 -2.090 389 HB2 ARG 53 HB2 ARG 53 11.908 -2.590 -3.827 390 HB3 ARG 53 HB3 ARG 53 10.438 -3.325 -4.432 391 HG2 ARG 53 HG2 ARG 53 10.482 -0.467 -3.723 392 HG3 ARG 53 HG3 ARG 53 11.111 -1.035 -5.271 393 HD2 ARG 53 HD2 ARG 53 8.863 -2.295 -5.449 394 HD3 ARG 53 HD3 ARG 53 8.322 -1.202 -4.175 395 HE ARG 53 HE ARG 53 8.141 0.511 -5.700 396 HH11 ARG 53 HH11 ARG 53 10.032 -2.092 -7.210 397 HH12 ARG 53 HH12 ARG 53 9.979 -1.321 -8.774 398 HH21 ARG 53 HH21 ARG 53 8.060 1.375 -7.683 399 HH22 ARG 53 HH22 ARG 53 8.895 0.639 -9.039 400 H LYS 54 H LYS 54 12.685 -2.930 -1.644 401 HA LYS 54 HA LYS 54 12.579 -0.341 -0.227 402 HB2 LYS 54 HB2 LYS 54 13.561 -1.389 1.840 403 HB3 LYS 54 HB3 LYS 54 11.882 -1.805 1.523 404 HG2 LYS 54 HG2 LYS 54 14.058 -3.693 0.575 405 HG3 LYS 54 HG3 LYS 54 13.644 -3.657 2.288 406 HD2 LYS 54 HD2 LYS 54 11.580 -4.174 0.090 407 HD3 LYS 54 HD3 LYS 54 12.446 -5.457 0.922 408 HE2 LYS 54 HE2 LYS 54 10.885 -3.386 2.486 409 HE3 LYS 54 HE3 LYS 54 10.082 -4.782 1.742 410 HZ1 LYS 54 HZ1 LYS 54 11.583 -6.237 2.945 411 HZ2 LYS 54 HZ2 LYS 54 12.358 -4.955 3.636 412 HZ3 LYS 54 HZ3 LYS 54 10.779 -5.267 4.008 413 H GLN 55 H GLN 55 14.486 0.621 0.233 414 HA GLN 55 HA GLN 55 16.865 -0.370 -1.275 415 HB2 GLN 55 HB2 GLN 55 15.903 1.935 -1.646 416 HB3 GLN 55 HB3 GLN 55 16.254 2.311 0.042 417 HG2 GLN 55 HG2 GLN 55 18.645 2.048 -0.374 418 HG3 GLN 55 HG3 GLN 55 18.321 1.545 -2.041 419 HE21 GLN 55 HE21 GLN 55 18.906 3.110 -3.382 420 HE22 GLN 55 HE22 GLN 55 18.562 4.809 -3.167 421 H ILE 56 H ILE 56 18.819 -0.788 -0.116 422 HA ILE 56 HA ILE 56 18.443 -0.949 2.857 423 HB ILE 56 HB ILE 56 19.998 -2.821 0.995 424 HG12 ILE 56 HG12 ILE 56 17.585 -3.086 0.653 425 HG13 ILE 56 HG13 ILE 56 18.280 -4.495 1.440 426 HG21 ILE 56 HG21 ILE 56 20.098 -4.318 3.051 427 HG22 ILE 56 HG22 ILE 56 21.063 -2.837 3.174 428 HG23 ILE 56 HG23 ILE 56 19.498 -2.947 4.014 429 HD11 ILE 56 HD11 ILE 56 17.344 -3.745 3.637 430 HD12 ILE 56 HD12 ILE 56 16.622 -2.329 2.832 431 HD13 ILE 56 HD13 ILE 56 16.086 -3.967 2.407 432 H GLY 57 H GLY 57 20.071 -0.218 4.191 433 HA2 GLY 57 HA2 GLY 57 22.748 -0.196 3.868 434 HA3 GLY 57 HA3 GLY 57 22.283 1.221 2.914 435 H ALA 58 H ALA 58 23.497 2.507 4.362 436 HA ALA 58 HA ALA 58 22.652 2.797 7.152 437 HB1 ALA 58 HB1 ALA 58 24.420 4.455 5.322 438 HB2 ALA 58 HB2 ALA 58 24.185 4.783 7.056 439 HB3 ALA 58 HB3 ALA 58 24.951 3.266 6.532 440 H GLY 59 H GLY 59 21.039 3.331 4.457 441 HA2 GLY 59 HA2 GLY 59 19.254 5.305 5.685 442 HA3 GLY 59 HA3 GLY 59 19.916 5.717 4.058 443 H VAL 60 H VAL 60 17.191 4.496 5.199 444 HA VAL 60 HA VAL 60 17.132 2.206 3.269 445 HB VAL 60 HB VAL 60 15.944 2.428 6.077 446 HG11 VAL 60 HG11 VAL 60 14.207 1.472 4.603 447 HG12 VAL 60 HG12 VAL 60 15.370 0.269 3.999 448 HG13 VAL 60 HG13 VAL 60 14.854 0.236 5.695 449 HG21 VAL 60 HG21 VAL 60 17.184 0.334 6.501 450 HG22 VAL 60 HG22 VAL 60 17.808 0.368 4.836 451 HG23 VAL 60 HG23 VAL 60 18.276 1.636 5.990 452 H ASN 61 H ASN 61 15.325 2.270 1.916 453 HA ASN 61 HA ASN 61 13.308 4.378 2.529 454 HB2 ASN 61 HB2 ASN 61 15.170 5.187 0.946 455 HB3 ASN 61 HB3 ASN 61 14.494 4.070 -0.239 456 HD21 ASN 61 HD21 ASN 61 14.687 7.048 -0.093 457 HD22 ASN 61 HD22 ASN 61 13.052 7.619 -0.314 458 H TYR 62 H TYR 62 11.425 3.450 2.570 459 HA TYR 62 HA TYR 62 10.971 0.906 1.109 460 HB2 TYR 62 HB2 TYR 62 9.280 2.490 3.084 461 HB3 TYR 62 HB3 TYR 62 8.784 0.970 2.336 462 HD1 TYR 62 HD1 TYR 62 9.894 -1.163 2.960 463 HD2 TYR 62 HD2 TYR 62 10.894 2.538 4.917 464 HE1 TYR 62 HE1 TYR 62 10.998 -2.428 4.810 465 HE2 TYR 62 HE2 TYR 62 11.992 1.254 6.757 466 HH TYR 62 HH TYR 62 12.581 -0.798 7.553 467 H PHE 63 H PHE 63 10.392 1.148 -0.964 468 HA PHE 63 HA PHE 63 8.685 3.471 -1.754 469 HB2 PHE 63 HB2 PHE 63 10.140 1.362 -3.371 470 HB3 PHE 63 HB3 PHE 63 9.164 2.648 -4.065 471 HD1 PHE 63 HD1 PHE 63 12.295 1.855 -2.208 472 HD2 PHE 63 HD2 PHE 63 10.071 4.856 -4.342 473 HE1 PHE 63 HE1 PHE 63 14.321 3.291 -2.293 474 HE2 PHE 63 HE2 PHE 63 12.102 6.297 -4.434 475 HZ PHE 63 HZ PHE 63 14.232 5.517 -3.403 476 H LEU 64 H LEU 64 6.550 3.056 -1.639 477 HA LEU 64 HA LEU 64 5.660 0.237 -2.096 478 HB2 LEU 64 HB2 LEU 64 5.672 1.065 0.303 479 HB3 LEU 64 HB3 LEU 64 4.458 2.240 -0.154 480 HG LEU 64 HG LEU 64 3.761 0.077 1.057 481 HD11 LEU 64 HD11 LEU 64 2.170 1.679 0.056 482 HD12 LEU 64 HD12 LEU 64 2.285 0.818 -1.499 483 HD13 LEU 64 HD13 LEU 64 1.612 0.001 -0.069 484 HD21 LEU 64 HD21 LEU 64 3.392 -1.883 -0.295 485 HD22 LEU 64 HD22 LEU 64 3.905 -1.063 -1.767 486 HD23 LEU 64 HD23 LEU 64 5.084 -1.418 -0.477 487 H ASP 65 H ASP 65 4.518 0.081 -3.862 488 HA ASP 65 HA ASP 65 2.906 2.483 -4.725 489 HB2 ASP 65 HB2 ASP 65 4.203 0.282 -6.432 490 HB3 ASP 65 HB3 ASP 65 3.265 1.647 -7.046 491 H VAL 66 H VAL 66 1.155 2.374 -5.372 492 HA VAL 66 HA VAL 66 -0.492 0.017 -4.963 493 HB VAL 66 HB VAL 66 0.137 1.854 -2.888 494 HG11 VAL 66 HG11 VAL 66 -2.140 2.324 -2.107 495 HG12 VAL 66 HG12 VAL 66 -1.936 3.062 -3.696 496 HG13 VAL 66 HG13 VAL 66 -2.844 1.530 -3.546 497 HG21 VAL 66 HG21 VAL 66 -0.818 0.333 -1.607 498 HG22 VAL 66 HG22 VAL 66 -1.845 -0.302 -2.933 499 HG23 VAL 66 HG23 VAL 66 -0.104 -0.461 -2.982 500 H GLU 67 H GLU 67 -2.488 -0.055 -5.546 501 HA GLU 67 HA GLU 67 -3.321 2.100 -7.433 502 HB2 GLU 67 HB2 GLU 67 -2.915 -0.259 -8.292 503 HB3 GLU 67 HB3 GLU 67 -4.334 -0.760 -7.364 504 HG2 GLU 67 HG2 GLU 67 -5.789 0.598 -8.704 505 HG3 GLU 67 HG3 GLU 67 -4.425 1.499 -9.388 506 H LEU 68 H LEU 68 -5.035 3.260 -6.863 507 HA LEU 68 HA LEU 68 -6.358 2.594 -4.303 508 HB2 LEU 68 HB2 LEU 68 -5.965 5.051 -5.967 509 HB3 LEU 68 HB3 LEU 68 -7.413 4.969 -4.963 510 HG LEU 68 HG LEU 68 -4.551 4.872 -3.995 511 HD11 LEU 68 HD11 LEU 68 -5.345 7.086 -4.705 512 HD12 LEU 68 HD12 LEU 68 -6.798 6.918 -3.700 513 HD13 LEU 68 HD13 LEU 68 -5.191 7.036 -2.942 514 HD21 LEU 68 HD21 LEU 68 -5.546 5.032 -1.701 515 HD22 LEU 68 HD22 LEU 68 -7.143 4.687 -2.409 516 HD23 LEU 68 HD23 LEU 68 -5.840 3.478 -2.492 517 H GLY 69 H GLY 69 -8.563 2.889 -3.959 518 HA2 GLY 69 HA2 GLY 69 -10.465 3.136 -6.072 519 HA3 GLY 69 HA3 GLY 69 -10.270 1.428 -5.601 520 H ARG 70 H ARG 70 -12.697 2.512 -5.008 521 HA ARG 70 HA ARG 70 -12.499 3.055 -2.077 522 HB2 ARG 70 HB2 ARG 70 -14.651 4.217 -3.864 523 HB3 ARG 70 HB3 ARG 70 -14.223 4.681 -2.211 524 HG2 ARG 70 HG2 ARG 70 -11.975 5.471 -3.174 525 HG3 ARG 70 HG3 ARG 70 -12.689 5.228 -4.775 526 HD2 ARG 70 HD2 ARG 70 -14.603 6.742 -3.939 527 HD3 ARG 70 HD3 ARG 70 -13.485 7.210 -2.646 528 HE ARG 70 HE ARG 70 -13.086 7.620 -5.593 529 HH11 ARG 70 HH11 ARG 70 -12.058 8.481 -2.277 530 HH12 ARG 70 HH12 ARG 70 -11.036 9.754 -2.881 531 HH21 ARG 70 HH21 ARG 70 -11.802 9.199 -6.209 532 HH22 ARG 70 HH22 ARG 70 -10.861 10.160 -5.064 533 H THR 71 H THR 71 -14.152 2.074 -0.828 534 HA THR 71 HA THR 71 -15.679 -0.028 -2.339 535 HB THR 71 HB THR 71 -15.727 -1.238 -0.115 536 HG1 THR 71 HG1 THR 71 -15.102 0.724 1.063 537 HG21 THR 71 HG21 THR 71 -14.157 -1.811 -1.971 538 HG22 THR 71 HG22 THR 71 -12.954 -0.710 -1.257 539 HG23 THR 71 HG23 THR 71 -13.493 -2.156 -0.364 540 H THR 72 H THR 72 -17.801 -0.428 -1.835 541 HA THR 72 HA THR 72 -19.244 1.979 -1.078 542 HB THR 72 HB THR 72 -21.251 0.438 -1.480 543 HG1 THR 72 HG1 THR 72 -19.444 -1.371 -2.659 544 HG21 THR 72 HG21 THR 72 -20.338 1.852 -3.278 545 HG22 THR 72 HG22 THR 72 -19.130 0.601 -3.664 546 HG23 THR 72 HG23 THR 72 -20.858 0.275 -3.912 547 H CYS 73 H CYS 73 -18.240 -0.817 0.735 548 HA CYS 73 HA CYS 73 -20.266 -0.109 2.816 549 HB2 CYS 73 HB2 CYS 73 -19.127 -2.822 2.150 550 HB3 CYS 73 HB3 CYS 73 -20.255 -2.475 3.466 551 H THR 74 H THR 74 -19.778 -0.976 4.972 552 HA THR 74 HA THR 74 -17.062 -0.124 5.721 553 HB THR 74 HB THR 74 -17.967 0.533 7.806 554 HG1 THR 74 HG1 THR 74 -19.886 -0.368 8.601 555 HG21 THR 74 HG21 THR 74 -20.538 0.704 6.272 556 HG22 THR 74 HG22 THR 74 -19.841 1.811 7.481 557 HG23 THR 74 HG23 THR 74 -19.129 1.738 5.857 558 H LYS 75 H LYS 75 -16.338 -1.029 7.754 559 HA LYS 75 HA LYS 75 -15.944 -3.843 7.689 560 HB2 LYS 75 HB2 LYS 75 -14.829 -3.431 9.845 561 HB3 LYS 75 HB3 LYS 75 -14.389 -2.179 8.669 562 HG2 LYS 75 HG2 LYS 75 -16.104 -0.622 9.660 563 HG3 LYS 75 HG3 LYS 75 -16.527 -1.869 10.843 564 HD2 LYS 75 HD2 LYS 75 -13.814 -0.532 10.603 565 HD3 LYS 75 HD3 LYS 75 -15.044 -0.199 11.831 566 HE2 LYS 75 HE2 LYS 75 -13.492 -2.805 11.456 567 HE3 LYS 75 HE3 LYS 75 -13.301 -1.644 12.775 568 HZ1 LYS 75 HZ1 LYS 75 -15.714 -3.301 12.268 569 HZ2 LYS 75 HZ2 LYS 75 -14.613 -3.535 13.472 570 HZ3 LYS 75 HZ3 LYS 75 -15.571 -2.193 13.484 571 H THR 76 H THR 76 -18.535 -2.062 8.996 572 HA THR 76 HA THR 76 -19.324 -4.246 10.854 573 HB THR 76 HB THR 76 -21.078 -2.346 11.038 574 HG1 THR 76 HG1 THR 76 -20.160 -0.327 10.918 575 HG21 THR 76 HG21 THR 76 -19.826 -1.455 13.030 576 HG22 THR 76 HG22 THR 76 -19.748 -3.229 12.959 577 HG23 THR 76 HG23 THR 76 -18.361 -2.252 12.416 578 H GLN 77 H GLN 77 -20.111 -2.797 8.027 579 HA GLN 77 HA GLN 77 -22.885 -2.992 7.783 580 HB2 GLN 77 HB2 GLN 77 -20.630 -3.098 5.831 581 HB3 GLN 77 HB3 GLN 77 -22.221 -3.576 5.250 582 HG2 GLN 77 HG2 GLN 77 -21.902 -1.022 6.789 583 HG3 GLN 77 HG3 GLN 77 -21.443 -1.086 5.081 584 HE21 GLN 77 HE21 GLN 77 -23.830 -0.059 6.950 585 HE22 GLN 77 HE22 GLN 77 -25.200 -0.367 5.912 586 HA PRO 78 HA PRO 78 -23.853 -7.241 7.827 587 HB2 PRO 78 HB2 PRO 78 -26.174 -7.321 6.411 588 HB3 PRO 78 HB3 PRO 78 -26.043 -6.461 7.980 589 HG2 PRO 78 HG2 PRO 78 -25.817 -5.329 5.190 590 HG3 PRO 78 HG3 PRO 78 -26.866 -4.783 6.538 591 HD2 PRO 78 HD2 PRO 78 -24.475 -3.593 6.036 592 HD3 PRO 78 HD3 PRO 78 -25.051 -3.845 7.713 593 H ASN 79 H ASN 79 -22.646 -5.946 4.965 594 HA ASN 79 HA ASN 79 -22.966 -8.560 3.549 595 HB2 ASN 79 HB2 ASN 79 -23.116 -5.750 2.407 596 HB3 ASN 79 HB3 ASN 79 -23.020 -7.215 1.423 597 HD21 ASN 79 HD21 ASN 79 -25.098 -4.979 2.467 598 HD22 ASN 79 HD22 ASN 79 -26.556 -5.942 2.519 599 H LEU 80 H LEU 80 -20.611 -8.191 5.079 600 HA LEU 80 HA LEU 80 -18.530 -6.981 3.519 601 HB2 LEU 80 HB2 LEU 80 -18.543 -8.851 5.840 602 HB3 LEU 80 HB3 LEU 80 -17.081 -8.747 4.868 603 HG LEU 80 HG LEU 80 -17.177 -6.223 5.195 604 HD11 LEU 80 HD11 LEU 80 -19.065 -7.055 7.409 605 HD12 LEU 80 HD12 LEU 80 -18.249 -5.482 7.283 606 HD13 LEU 80 HD13 LEU 80 -19.413 -5.967 6.045 607 HD21 LEU 80 HD21 LEU 80 -16.682 -8.089 7.543 608 HD22 LEU 80 HD22 LEU 80 -15.545 -7.698 6.226 609 HD23 LEU 80 HD23 LEU 80 -16.039 -6.438 7.380 610 H ASP 81 H ASP 81 -20.131 -9.989 2.914 611 HA ASP 81 HA ASP 81 -17.802 -11.041 1.442 612 HB2 ASP 81 HB2 ASP 81 -20.597 -12.041 1.018 613 HB3 ASP 81 HB3 ASP 81 -19.089 -12.958 1.150 614 H ASN 82 H ASN 82 -20.911 -9.507 0.868 615 HA ASN 82 HA ASN 82 -20.728 -9.780 -2.024 616 HB2 ASN 82 HB2 ASN 82 -22.749 -9.022 -0.027 617 HB3 ASN 82 HB3 ASN 82 -22.836 -8.065 -1.515 618 HD21 ASN 82 HD21 ASN 82 -24.089 -10.689 -0.078 619 HD22 ASN 82 HD22 ASN 82 -24.450 -11.650 -1.493 620 H CYS 83 H CYS 83 -20.355 -7.011 0.249 621 HA CYS 83 HA CYS 83 -20.446 -5.096 -1.875 622 HB2 CYS 83 HB2 CYS 83 -18.994 -4.879 0.771 623 HB3 CYS 83 HB3 CYS 83 -19.361 -3.550 -0.337 624 HA PRO 84 HA PRO 84 -15.828 -5.200 -2.248 625 HB2 PRO 84 HB2 PRO 84 -14.307 -7.321 -1.417 626 HB3 PRO 84 HB3 PRO 84 -14.617 -5.868 -0.413 627 HG2 PRO 84 HG2 PRO 84 -16.006 -8.513 -0.374 628 HG3 PRO 84 HG3 PRO 84 -15.350 -7.551 0.994 629 HD2 PRO 84 HD2 PRO 84 -17.962 -7.509 0.355 630 HD3 PRO 84 HD3 PRO 84 -17.108 -6.034 0.923 631 H PHE 85 H PHE 85 -17.587 -8.319 -2.369 632 HA PHE 85 HA PHE 85 -16.270 -9.400 -4.653 633 HB2 PHE 85 HB2 PHE 85 -17.887 -10.653 -3.281 634 HB3 PHE 85 HB3 PHE 85 -19.188 -9.594 -3.837 635 HD1 PHE 85 HD1 PHE 85 -16.741 -12.185 -4.918 636 HD2 PHE 85 HD2 PHE 85 -20.264 -9.938 -5.942 637 HE1 PHE 85 HE1 PHE 85 -17.114 -13.673 -6.883 638 HE2 PHE 85 HE2 PHE 85 -20.653 -11.419 -7.902 639 HZ PHE 85 HZ PHE 85 -19.074 -13.293 -8.380 640 H HIS 86 H HIS 86 -18.980 -7.055 -4.380 641 HA HIS 86 HA HIS 86 -19.116 -6.822 -7.319 642 HB2 HIS 86 HB2 HIS 86 -20.527 -5.390 -5.056 643 HB3 HIS 86 HB3 HIS 86 -20.756 -4.986 -6.762 644 HD1 HIS 86 HD1 HIS 86 -21.449 -7.800 -4.307 645 HD2 HIS 86 HD2 HIS 86 -22.338 -6.696 -8.211 646 HE1 HIS 86 HE1 HIS 86 -23.232 -9.392 -5.119 647 H ASP 87 H ASP 87 -17.551 -5.103 -4.672 648 HA ASP 87 HA ASP 87 -17.151 -2.620 -6.069 649 HB2 ASP 87 HB2 ASP 87 -15.695 -3.920 -3.739 650 HB3 ASP 87 HB3 ASP 87 -15.225 -2.353 -4.389 651 H GLN 88 H GLN 88 -15.051 -5.553 -5.680 652 HA GLN 88 HA GLN 88 -12.813 -4.445 -6.998 653 HB2 GLN 88 HB2 GLN 88 -13.784 -7.212 -6.507 654 HB3 GLN 88 HB3 GLN 88 -12.511 -6.994 -7.720 655 HG2 GLN 88 HG2 GLN 88 -11.181 -5.767 -6.107 656 HG3 GLN 88 HG3 GLN 88 -12.420 -6.033 -4.867 657 HE21 GLN 88 HE21 GLN 88 -9.476 -6.999 -5.631 658 HE22 GLN 88 HE22 GLN 88 -9.550 -8.688 -5.195 659 HA PRO 89 HA PRO 89 -14.086 -5.935 -11.155 660 HB2 PRO 89 HB2 PRO 89 -16.718 -6.397 -11.838 661 HB3 PRO 89 HB3 PRO 89 -15.627 -7.680 -11.218 662 HG2 PRO 89 HG2 PRO 89 -17.600 -5.994 -9.676 663 HG3 PRO 89 HG3 PRO 89 -17.417 -7.778 -9.686 664 HD2 PRO 89 HD2 PRO 89 -16.314 -6.297 -7.776 665 HD3 PRO 89 HD3 PRO 89 -15.443 -7.701 -8.466 666 H HIS 90 H HIS 90 -16.150 -3.805 -9.264 667 HA HIS 90 HA HIS 90 -16.857 -2.039 -11.485 668 HB2 HIS 90 HB2 HIS 90 -18.267 -2.203 -9.495 669 HB3 HIS 90 HB3 HIS 90 -16.920 -1.735 -8.459 670 HD1 HIS 90 HD1 HIS 90 -19.175 -0.214 -11.133 671 HD2 HIS 90 HD2 HIS 90 -16.588 0.916 -8.081 672 HE1 HIS 90 HE1 HIS 90 -19.419 2.287 -10.867 673 H LEU 91 H LEU 91 -14.293 -2.240 -9.025 674 HA LEU 91 HA LEU 91 -13.163 0.368 -9.641 675 HB2 LEU 91 HB2 LEU 91 -12.401 -2.026 -7.993 676 HB3 LEU 91 HB3 LEU 91 -11.137 -0.896 -8.424 677 HG LEU 91 HG LEU 91 -11.581 0.375 -6.719 678 HD11 LEU 91 HD11 LEU 91 -14.515 0.485 -7.540 679 HD12 LEU 91 HD12 LEU 91 -13.784 1.460 -6.257 680 HD13 LEU 91 HD13 LEU 91 -13.250 1.681 -7.932 681 HD21 LEU 91 HD21 LEU 91 -13.911 -1.382 -5.966 682 HD22 LEU 91 HD22 LEU 91 -12.214 -1.849 -5.734 683 HD23 LEU 91 HD23 LEU 91 -12.873 -0.426 -4.900 684 H LYS 92 H LYS 92 -12.913 0.377 -11.871 685 HA LYS 92 HA LYS 92 -10.487 -1.131 -12.769 686 HB2 LYS 92 HB2 LYS 92 -12.934 -0.404 -14.415 687 HB3 LYS 92 HB3 LYS 92 -11.463 -1.152 -15.053 688 HG2 LYS 92 HG2 LYS 92 -13.223 -2.406 -12.914 689 HG3 LYS 92 HG3 LYS 92 -13.352 -2.761 -14.641 690 HD2 LYS 92 HD2 LYS 92 -11.194 -3.785 -14.707 691 HD3 LYS 92 HD3 LYS 92 -10.732 -3.122 -13.132 692 HE2 LYS 92 HE2 LYS 92 -11.260 -5.501 -12.953 693 HE3 LYS 92 HE3 LYS 92 -12.370 -4.502 -11.994 694 HZ1 LYS 92 HZ1 LYS 92 -13.023 -5.486 -14.706 695 HZ2 LYS 92 HZ2 LYS 92 -13.454 -6.275 -13.322 696 HZ3 LYS 92 HZ3 LYS 92 -14.044 -4.763 -13.621 697 H ARG 93 H ARG 93 -11.381 1.807 -11.810 698 HA ARG 93 HA ARG 93 -10.158 3.365 -14.001 699 HB2 ARG 93 HB2 ARG 93 -11.071 4.057 -11.169 700 HB3 ARG 93 HB3 ARG 93 -10.132 5.175 -12.157 701 HG2 ARG 93 HG2 ARG 93 -12.246 5.932 -12.606 702 HG3 ARG 93 HG3 ARG 93 -12.017 4.795 -13.943 703 HD2 ARG 93 HD2 ARG 93 -14.201 4.407 -13.074 704 HD3 ARG 93 HD3 ARG 93 -13.199 3.054 -12.516 705 HE ARG 93 HE ARG 93 -13.168 5.152 -10.549 706 HH11 ARG 93 HH11 ARG 93 -15.355 2.654 -11.795 707 HH12 ARG 93 HH12 ARG 93 -16.267 2.599 -10.308 708 HH21 ARG 93 HH21 ARG 93 -14.335 5.020 -8.736 709 HH22 ARG 93 HH22 ARG 93 -15.698 3.914 -8.596 710 H LYS 94 H LYS 94 -7.971 3.378 -14.221 711 HA LYS 94 HA LYS 94 -6.363 2.144 -12.094 712 HB2 LYS 94 HB2 LYS 94 -5.595 3.365 -14.779 713 HB3 LYS 94 HB3 LYS 94 -4.486 2.550 -13.667 714 HG2 LYS 94 HG2 LYS 94 -5.906 0.500 -13.837 715 HG3 LYS 94 HG3 LYS 94 -6.854 1.317 -15.095 716 HD2 LYS 94 HD2 LYS 94 -4.819 1.573 -16.457 717 HD3 LYS 94 HD3 LYS 94 -3.871 0.771 -15.181 718 HE2 LYS 94 HE2 LYS 94 -5.283 -1.247 -15.407 719 HE3 LYS 94 HE3 LYS 94 -6.194 -0.457 -16.714 720 HZ1 LYS 94 HZ1 LYS 94 -3.294 -1.063 -16.763 721 HZ2 LYS 94 HZ2 LYS 94 -4.460 -1.896 -17.579 722 HZ3 LYS 94 HZ3 LYS 94 -4.135 -0.329 -17.979 723 H ALA 95 H ALA 95 -5.921 3.303 -10.395 724 HA ALA 95 HA ALA 95 -4.990 6.120 -10.756 725 HB1 ALA 95 HB1 ALA 95 -6.156 6.653 -8.660 726 HB2 ALA 95 HB2 ALA 95 -7.309 6.081 -9.882 727 HB3 ALA 95 HB3 ALA 95 -6.784 4.996 -8.572 728 H PHE 96 H PHE 96 -2.899 6.171 -10.057 729 HA PHE 96 HA PHE 96 -2.136 4.069 -8.104 730 HB2 PHE 96 HB2 PHE 96 -0.456 5.317 -10.287 731 HB3 PHE 96 HB3 PHE 96 0.094 4.111 -9.116 732 HD1 PHE 96 HD1 PHE 96 -1.135 1.835 -9.066 733 HD2 PHE 96 HD2 PHE 96 -1.430 4.629 -12.325 734 HE1 PHE 96 HE1 PHE 96 -1.892 -0.003 -10.568 735 HE2 PHE 96 HE2 PHE 96 -2.171 2.798 -13.836 736 HZ PHE 96 HZ PHE 96 -2.419 0.474 -12.951 737 H CYS 97 H CYS 97 -1.040 4.425 -6.422 738 HA CYS 97 HA CYS 97 -0.083 7.188 -5.820 739 HB2 CYS 97 HB2 CYS 97 -0.638 4.833 -3.988 740 HB3 CYS 97 HB3 CYS 97 -0.062 6.421 -3.476 741 H SER 98 H SER 98 1.941 7.471 -4.925 742 HA SER 98 HA SER 98 3.694 5.053 -4.743 743 HB2 SER 98 HB2 SER 98 4.447 7.735 -5.958 744 HB3 SER 98 HB3 SER 98 5.601 6.459 -5.523 745 HG SER 98 HG SER 98 4.501 5.066 -6.963 746 H PHE 99 H PHE 99 4.090 4.815 -2.671 747 HA PHE 99 HA PHE 99 4.367 7.283 -0.996 748 HB2 PHE 99 HB2 PHE 99 3.903 4.391 -0.184 749 HB3 PHE 99 HB3 PHE 99 3.975 5.780 0.905 750 HD1 PHE 99 HD1 PHE 99 2.233 7.688 0.456 751 HD2 PHE 99 HD2 PHE 99 1.839 3.671 -1.022 752 HE1 PHE 99 HE1 PHE 99 -0.210 8.039 0.174 753 HE2 PHE 99 HE2 PHE 99 -0.617 3.997 -1.268 754 HZ PHE 99 HZ PHE 99 -1.649 6.189 -0.670 755 H GLN 100 H GLN 100 6.285 7.707 -0.066 756 HA GLN 100 HA GLN 100 8.389 5.571 -0.242 757 HB2 GLN 100 HB2 GLN 100 8.768 8.539 -0.736 758 HB3 GLN 100 HB3 GLN 100 10.055 7.341 -0.639 759 HG2 GLN 100 HG2 GLN 100 9.145 6.204 -2.632 760 HG3 GLN 100 HG3 GLN 100 7.854 7.413 -2.734 761 HE21 GLN 100 HE21 GLN 100 11.364 7.652 -2.109 762 HE22 GLN 100 HE22 GLN 100 11.672 8.800 -3.393 763 H ILE 101 H ILE 101 8.712 4.962 1.821 764 HA ILE 101 HA ILE 101 8.674 7.121 3.903 765 HB ILE 101 HB ILE 101 8.681 4.098 4.291 766 HG12 ILE 101 HG12 ILE 101 6.349 5.941 4.834 767 HG13 ILE 101 HG13 ILE 101 6.558 5.175 3.257 768 HG21 ILE 101 HG21 ILE 101 9.700 5.301 6.176 769 HG22 ILE 101 HG22 ILE 101 8.321 6.422 6.250 770 HG23 ILE 101 HG23 ILE 101 8.105 4.705 6.660 771 HD11 ILE 101 HD11 ILE 101 6.193 3.741 5.907 772 HD12 ILE 101 HD12 ILE 101 5.022 3.861 4.576 773 HD13 ILE 101 HD13 ILE 101 6.528 2.947 4.351 774 H TYR 102 H TYR 102 10.641 7.936 4.424 775 HA TYR 102 HA TYR 102 12.996 6.254 3.791 776 HB2 TYR 102 HB2 TYR 102 13.124 8.611 3.146 777 HB3 TYR 102 HB3 TYR 102 12.775 9.105 4.814 778 HD1 TYR 102 HD1 TYR 102 14.563 9.470 6.320 779 HD2 TYR 102 HD2 TYR 102 15.243 7.066 2.817 780 HE1 TYR 102 HE1 TYR 102 16.991 9.344 6.867 781 HE2 TYR 102 HE2 TYR 102 17.660 6.926 3.384 782 HH TYR 102 HH TYR 102 19.013 8.447 6.328 783 H ALA 103 H ALA 103 13.818 4.951 5.350 784 HA ALA 103 HA ALA 103 13.052 5.494 8.138 785 HB1 ALA 103 HB1 ALA 103 13.928 3.196 8.501 786 HB2 ALA 103 HB2 ALA 103 12.470 3.297 7.483 787 HB3 ALA 103 HB3 ALA 103 14.058 3.043 6.731 788 H VAL 104 H VAL 104 14.542 5.967 9.591 789 HA VAL 104 HA VAL 104 17.188 6.723 8.369 790 HB VAL 104 HB VAL 104 16.465 7.430 11.187 791 HG11 VAL 104 HG11 VAL 104 17.227 9.500 10.725 792 HG12 VAL 104 HG12 VAL 104 18.347 8.277 10.070 793 HG13 VAL 104 HG13 VAL 104 17.223 9.155 8.989 794 HG21 VAL 104 HG21 VAL 104 14.730 8.394 8.969 795 HG22 VAL 104 HG22 VAL 104 14.335 7.500 10.458 796 HG23 VAL 104 HG23 VAL 104 14.865 9.180 10.566 797 HA PRO 105 HA PRO 105 17.078 3.166 10.760 798 HB2 PRO 105 HB2 PRO 105 19.377 1.698 10.199 799 HB3 PRO 105 HB3 PRO 105 17.991 1.799 9.063 800 HG2 PRO 105 HG2 PRO 105 20.523 3.444 9.100 801 HG3 PRO 105 HG3 PRO 105 19.777 2.560 7.731 802 HD2 PRO 105 HD2 PRO 105 19.380 5.232 8.127 803 HD3 PRO 105 HD3 PRO 105 18.095 4.167 7.460 804 H TRP 106 H TRP 106 19.721 5.337 10.696 805 HA TRP 106 HA TRP 106 21.314 4.457 12.855 806 HB2 TRP 106 HB2 TRP 106 21.406 6.415 10.956 807 HB3 TRP 106 HB3 TRP 106 21.036 7.375 12.392 808 HD1 TRP 106 HD1 TRP 106 22.859 7.050 14.493 809 HE1 TRP 106 HE1 TRP 106 25.365 6.620 14.502 810 HE3 TRP 106 HE3 TRP 106 23.295 5.331 9.691 811 HZ2 TRP 106 HZ2 TRP 106 27.318 5.602 12.683 812 HZ3 TRP 106 HZ3 TRP 106 25.558 4.617 8.875 813 HH2 TRP 106 HH2 TRP 106 27.538 4.740 10.376 814 H GLN 107 H GLN 107 18.180 5.856 12.910 815 HA GLN 107 HA GLN 107 18.514 6.485 15.815 816 HB2 GLN 107 HB2 GLN 107 16.865 7.868 13.691 817 HB3 GLN 107 HB3 GLN 107 16.683 8.175 15.423 818 HG2 GLN 107 HG2 GLN 107 18.981 8.985 15.545 819 HG3 GLN 107 HG3 GLN 107 19.238 8.590 13.837 820 HE21 GLN 107 HE21 GLN 107 17.406 10.660 16.051 821 HE22 GLN 107 HE22 GLN 107 17.098 11.916 14.876 822 H GLY 108 H GLY 108 17.135 4.346 13.626 823 HA2 GLY 108 HA2 GLY 108 15.591 2.672 13.990 824 HA3 GLY 108 HA3 GLY 108 15.434 3.224 15.669 825 H THR 109 H THR 109 15.009 5.589 13.251 826 HA THR 109 HA THR 109 12.067 5.673 13.764 827 HB THR 109 HB THR 109 12.543 8.084 12.817 828 HG1 THR 109 HG1 THR 109 14.667 8.756 13.356 829 HG21 THR 109 HG21 THR 109 13.064 8.921 15.083 830 HG22 THR 109 HG22 THR 109 11.865 7.613 15.176 831 HG23 THR 109 HG23 THR 109 13.569 7.288 15.581 832 H MET 110 H MET 110 10.807 6.620 11.925 833 HA MET 110 HA MET 110 12.291 6.700 9.382 834 HB2 MET 110 HB2 MET 110 10.744 5.205 8.204 835 HB3 MET 110 HB3 MET 110 11.372 4.317 9.593 836 HG2 MET 110 HG2 MET 110 9.245 4.776 10.805 837 HG3 MET 110 HG3 MET 110 8.628 5.570 9.339 838 HE1 MET 110 HE1 MET 110 6.743 3.419 10.211 839 HE2 MET 110 HE2 MET 110 6.694 4.191 8.610 840 HE3 MET 110 HE3 MET 110 6.579 2.422 8.743 841 H THR 111 H THR 111 10.946 7.871 7.744 842 HA THR 111 HA THR 111 8.576 9.329 8.819 843 HB THR 111 HB THR 111 11.020 10.601 7.523 844 HG1 THR 111 HG1 THR 111 10.173 10.341 10.203 845 HG21 THR 111 HG21 THR 111 9.059 11.857 6.988 846 HG22 THR 111 HG22 THR 111 8.476 11.776 8.671 847 HG23 THR 111 HG23 THR 111 9.926 12.721 8.273 848 H LEU 112 H LEU 112 7.036 9.694 7.174 849 HA LEU 112 HA LEU 112 7.424 8.561 4.593 850 HB2 LEU 112 HB2 LEU 112 5.266 8.985 5.835 851 HB3 LEU 112 HB3 LEU 112 5.449 10.690 5.472 852 HG LEU 112 HG LEU 112 5.229 10.175 3.046 853 HD11 LEU 112 HD11 LEU 112 4.758 7.364 4.103 854 HD12 LEU 112 HD12 LEU 112 4.419 7.891 2.435 855 HD13 LEU 112 HD13 LEU 112 6.086 7.888 3.042 856 HD21 LEU 112 HD21 LEU 112 3.254 10.812 4.293 857 HD22 LEU 112 HD22 LEU 112 2.794 9.464 3.236 858 HD23 LEU 112 HD23 LEU 112 3.074 9.176 4.961 859 H SER 113 H SER 113 8.788 9.325 3.107 860 HA SER 113 HA SER 113 9.664 12.136 3.176 861 HB2 SER 113 HB2 SER 113 11.265 10.275 2.826 862 HB3 SER 113 HB3 SER 113 10.403 9.821 1.342 863 HG SER 113 HG SER 113 10.860 12.325 1.002 864 H LYS 114 H LYS 114 7.552 10.033 1.283 865 HA LYS 114 HA LYS 114 6.534 12.401 -0.169 866 HB2 LYS 114 HB2 LYS 114 8.429 11.512 -1.573 867 HB3 LYS 114 HB3 LYS 114 7.542 9.986 -1.697 868 HG2 LYS 114 HG2 LYS 114 5.635 11.195 -2.731 869 HG3 LYS 114 HG3 LYS 114 6.586 12.693 -2.664 870 HD2 LYS 114 HD2 LYS 114 8.298 11.599 -4.090 871 HD3 LYS 114 HD3 LYS 114 7.240 10.167 -4.183 872 HE2 LYS 114 HE2 LYS 114 5.425 11.633 -5.037 873 HE3 LYS 114 HE3 LYS 114 6.576 12.980 -5.078 874 HZ1 LYS 114 HZ1 LYS 114 6.853 10.436 -6.584 875 HZ2 LYS 114 HZ2 LYS 114 6.386 11.878 -7.236 876 HZ3 LYS 114 HZ3 LYS 114 7.916 11.696 -6.641 877 H SER 115 H SER 115 4.413 12.199 -0.630 878 HA SER 115 HA SER 115 3.246 9.493 -0.918 879 HB2 SER 115 HB2 SER 115 1.215 10.323 0.331 880 HB3 SER 115 HB3 SER 115 2.639 10.090 1.358 881 HG SER 115 HG SER 115 1.819 12.571 0.241 882 H THR 116 H THR 116 2.409 9.512 -2.908 883 HA THR 116 HA THR 116 1.002 11.996 -3.788 884 HB THR 116 HB THR 116 3.315 11.967 -4.863 885 HG1 THR 116 HG1 THR 116 1.227 11.538 -6.746 886 HG21 THR 116 HG21 THR 116 3.587 9.540 -5.132 887 HG22 THR 116 HG22 THR 116 2.228 9.501 -6.279 888 HG23 THR 116 HG23 THR 116 3.714 10.379 -6.692 889 H CYS 117 H CYS 117 -0.768 11.470 -5.220 890 HA CYS 117 HA CYS 117 -1.364 8.617 -5.623 891 HB2 CYS 117 HB2 CYS 117 -2.706 10.409 -3.632 892 HB3 CYS 117 HB3 CYS 117 -3.677 9.223 -4.498 893 H GLN 118 H GLN 118 -3.485 8.337 -6.639 894 HA GLN 118 HA GLN 118 -4.376 10.698 -8.255 895 HB2 GLN 118 HB2 GLN 118 -3.904 7.807 -9.055 896 HB3 GLN 118 HB3 GLN 118 -4.904 8.901 -10.014 897 HG2 GLN 118 HG2 GLN 118 -1.956 9.298 -9.380 898 HG3 GLN 118 HG3 GLN 118 -2.599 8.663 -10.897 899 HE21 GLN 118 HE21 GLN 118 -4.795 10.404 -11.256 900 HE22 GLN 118 HE22 GLN 118 -4.162 12.006 -11.553 901 H ASP 119 H ASP 119 -6.666 10.711 -8.575 902 HA ASP 119 HA ASP 119 -8.174 9.282 -6.504 903 HB2 ASP 119 HB2 ASP 119 -8.736 11.464 -8.489 904 HB3 ASP 119 HB3 ASP 119 -10.089 10.572 -7.775 905 H ALA 120 H ALA 120 -9.989 7.972 -6.852 906 HA ALA 120 HA ALA 120 -10.207 6.692 -9.540 907 HB1 ALA 120 HB1 ALA 120 -10.257 5.271 -6.836 908 HB2 ALA 120 HB2 ALA 120 -10.422 4.509 -8.436 909 HB3 ALA 120 HB3 ALA 120 -8.884 5.253 -7.960
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