NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628357 | 5wah | 30313 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 GLY 1 H2 GLY 1 -5.416 33.966 -14.452 2 H GLY 1 H1 GLY 1 -5.528 32.655 -13.395 3 H3 GLY 1 H3 GLY 1 -6.478 34.029 -13.137 4 HA2 GLY 1 HA2 GLY 1 -4.527 35.354 -12.677 5 HA3 GLY 1 HA3 GLY 1 -4.639 33.980 -11.589 6 H VAL 2 H VAL 2 -2.648 33.145 -11.214 7 HA VAL 2 HA VAL 2 -0.469 33.539 -13.070 8 HB VAL 2 HB VAL 2 0.940 32.367 -11.416 9 HG11 VAL 2 HG11 VAL 2 -0.878 34.437 -10.128 10 HG12 VAL 2 HG12 VAL 2 0.536 34.777 -11.127 11 HG13 VAL 2 HG13 VAL 2 0.735 33.980 -9.567 12 HG21 VAL 2 HG21 VAL 2 0.015 31.575 -9.266 13 HG22 VAL 2 HG22 VAL 2 -0.657 30.673 -10.624 14 HG23 VAL 2 HG23 VAL 2 -1.621 31.924 -9.836 15 H GLU 3 H GLU 3 1.016 31.690 -13.576 16 HA GLU 3 HA GLU 3 -0.340 29.146 -14.258 17 HB2 GLU 3 HB2 GLU 3 1.434 30.847 -16.085 18 HB3 GLU 3 HB3 GLU 3 0.945 29.195 -16.448 19 HG2 GLU 3 HG2 GLU 3 -1.410 29.880 -16.523 20 HG3 GLU 3 HG3 GLU 3 -0.958 31.531 -16.101 21 H LYS 4 H LYS 4 1.974 27.911 -15.424 22 HA LYS 4 HA LYS 4 3.778 27.448 -13.268 23 HB2 LYS 4 HB2 LYS 4 4.156 26.892 -16.247 24 HB3 LYS 4 HB3 LYS 4 5.183 26.257 -14.968 25 HG2 LYS 4 HG2 LYS 4 2.252 25.610 -15.406 26 HG3 LYS 4 HG3 LYS 4 3.620 24.550 -15.743 27 HD2 LYS 4 HD2 LYS 4 4.164 24.492 -13.322 28 HD3 LYS 4 HD3 LYS 4 2.796 25.560 -12.995 29 HE2 LYS 4 HE2 LYS 4 1.259 23.817 -13.892 30 HE3 LYS 4 HE3 LYS 4 2.643 22.744 -14.127 31 HZ1 LYS 4 HZ1 LYS 4 3.061 22.810 -11.752 32 HZ2 LYS 4 HZ2 LYS 4 1.478 22.292 -12.044 33 HZ3 LYS 4 HZ3 LYS 4 1.767 23.871 -11.523 34 H THR 5 H THR 5 4.589 29.372 -12.521 35 HA THR 5 HA THR 5 5.518 31.464 -14.272 36 HB THR 5 HB THR 5 6.072 32.625 -12.070 37 HG1 THR 5 HG1 THR 5 6.247 30.439 -10.963 38 HG21 THR 5 HG21 THR 5 3.246 31.522 -12.345 39 HG22 THR 5 HG22 THR 5 3.874 32.965 -13.147 40 HG23 THR 5 HG23 THR 5 3.709 32.931 -11.391 41 H ALA 6 H ALA 6 7.371 31.133 -15.328 42 HA ALA 6 HA ALA 6 9.595 29.608 -14.428 43 HB1 ALA 6 HB1 ALA 6 10.719 30.471 -16.450 44 HB2 ALA 6 HB2 ALA 6 9.424 31.654 -16.671 45 HB3 ALA 6 HB3 ALA 6 9.077 29.931 -16.808 46 H GLY 7 H GLY 7 10.701 30.219 -12.665 47 HA2 GLY 7 HA2 GLY 7 12.478 32.350 -12.561 48 HA3 GLY 7 HA3 GLY 7 11.013 32.899 -11.738 49 H GLU 8 H GLU 8 11.717 32.933 -9.660 50 HA GLU 8 HA GLU 8 12.937 30.502 -8.485 51 HB2 GLU 8 HB2 GLU 8 14.174 32.725 -8.356 52 HB3 GLU 8 HB3 GLU 8 12.867 33.339 -7.353 53 HG2 GLU 8 HG2 GLU 8 13.391 31.563 -5.665 54 HG3 GLU 8 HG3 GLU 8 14.752 31.056 -6.664 55 H THR 9 H THR 9 10.404 30.048 -8.951 56 HA THR 9 HA THR 9 8.514 31.014 -7.044 57 HB THR 9 HB THR 9 8.312 28.521 -8.788 58 HG1 THR 9 HG1 THR 9 7.605 31.228 -9.345 59 HG21 THR 9 HG21 THR 9 6.549 28.650 -7.055 60 HG22 THR 9 HG22 THR 9 5.881 28.918 -8.666 61 HG23 THR 9 HG23 THR 9 6.147 30.288 -7.587 62 H SER 10 H SER 10 9.143 30.654 -4.985 63 HA SER 10 HA SER 10 9.825 27.919 -4.071 64 HB2 SER 10 HB2 SER 10 11.033 29.239 -2.200 65 HB3 SER 10 HB3 SER 10 11.749 29.315 -3.809 66 HG SER 10 HG SER 10 11.184 31.374 -3.994 67 H ALA 11 H ALA 11 8.018 27.075 -3.212 68 HA ALA 11 HA ALA 11 5.935 28.546 -1.908 69 HB1 ALA 11 HB1 ALA 11 4.985 26.310 -1.423 70 HB2 ALA 11 HB2 ALA 11 6.484 25.550 -1.968 71 HB3 ALA 11 HB3 ALA 11 5.483 26.450 -3.110 72 H THR 12 H THR 12 6.243 29.468 0.021 73 HA THR 12 HA THR 12 8.095 28.498 2.042 74 HB THR 12 HB THR 12 6.103 30.815 2.168 75 HG1 THR 12 HG1 THR 12 8.685 30.558 1.029 76 HG21 THR 12 HG21 THR 12 7.660 31.794 3.815 77 HG22 THR 12 HG22 THR 12 8.680 30.359 3.727 78 HG23 THR 12 HG23 THR 12 7.048 30.241 4.391 79 H ASP 13 H ASP 13 4.911 27.848 1.173 80 HA ASP 13 HA ASP 13 3.873 27.144 3.816 81 HB2 ASP 13 HB2 ASP 13 2.485 28.283 1.999 82 HB3 ASP 13 HB3 ASP 13 2.572 26.794 1.069 83 H THR 14 H THR 14 2.641 24.949 3.854 84 HA THR 14 HA THR 14 2.248 22.767 3.375 85 HB THR 14 HB THR 14 4.868 22.517 1.826 86 HG1 THR 14 HG1 THR 14 2.456 23.638 1.149 87 HG21 THR 14 HG21 THR 14 3.792 20.525 0.809 88 HG22 THR 14 HG22 THR 14 2.388 20.750 1.852 89 HG23 THR 14 HG23 THR 14 3.949 20.337 2.558 90 H GLY 15 H GLY 15 4.858 24.162 4.989 91 HA2 GLY 15 HA2 GLY 15 6.163 21.902 6.139 92 HA3 GLY 15 HA3 GLY 15 6.195 23.546 6.751 93 H LYS 16 H LYS 16 3.441 23.911 7.287 94 HA LYS 16 HA LYS 16 3.132 22.562 9.794 95 HB2 LYS 16 HB2 LYS 16 1.193 24.305 8.237 96 HB3 LYS 16 HB3 LYS 16 0.894 23.707 9.866 97 HG2 LYS 16 HG2 LYS 16 2.951 24.946 10.628 98 HG3 LYS 16 HG3 LYS 16 3.066 25.643 9.006 99 HD2 LYS 16 HD2 LYS 16 0.803 26.629 9.285 100 HD3 LYS 16 HD3 LYS 16 0.715 25.950 10.913 101 HE2 LYS 16 HE2 LYS 16 2.788 27.972 9.992 102 HE3 LYS 16 HE3 LYS 16 1.326 28.371 10.893 103 HZ1 LYS 16 HZ1 LYS 16 2.122 27.016 12.728 104 HZ2 LYS 16 HZ2 LYS 16 3.254 28.202 12.341 105 HZ3 LYS 16 HZ3 LYS 16 3.511 26.605 11.865 106 H ARG 17 H ARG 17 1.380 22.357 6.670 107 HA ARG 17 HA ARG 17 -0.507 20.405 7.432 108 HB2 ARG 17 HB2 ARG 17 0.575 21.208 4.705 109 HB3 ARG 17 HB3 ARG 17 -0.636 19.941 4.876 110 HG2 ARG 17 HG2 ARG 17 -2.101 21.645 6.060 111 HG3 ARG 17 HG3 ARG 17 -0.926 22.874 5.586 112 HD2 ARG 17 HD2 ARG 17 -1.319 22.357 3.212 113 HD3 ARG 17 HD3 ARG 17 -2.450 21.076 3.656 114 HE ARG 17 HE ARG 17 -2.878 23.977 3.904 115 HH11 ARG 17 HH11 ARG 17 -4.231 20.722 4.166 116 HH12 ARG 17 HH12 ARG 17 -5.868 21.287 4.247 117 HH21 ARG 17 HH21 ARG 17 -5.031 24.684 4.005 118 HH22 ARG 17 HH22 ARG 17 -6.314 23.530 4.154 119 H GLU 18 H GLU 18 2.827 20.151 6.383 120 HA GLU 18 HA GLU 18 2.964 17.464 5.647 121 HB2 GLU 18 HB2 GLU 18 4.825 19.083 5.314 122 HB3 GLU 18 HB3 GLU 18 5.111 19.099 7.053 123 HG2 GLU 18 HG2 GLU 18 6.761 17.660 6.131 124 HG3 GLU 18 HG3 GLU 18 5.577 16.609 6.898 125 H LYS 19 H LYS 19 3.098 18.953 8.867 126 HA LYS 19 HA LYS 19 3.844 16.738 10.421 127 HB2 LYS 19 HB2 LYS 19 1.940 19.007 11.155 128 HB3 LYS 19 HB3 LYS 19 2.693 17.918 12.310 129 HG2 LYS 19 HG2 LYS 19 4.183 19.865 10.521 130 HG3 LYS 19 HG3 LYS 19 3.788 20.129 12.221 131 HD2 LYS 19 HD2 LYS 19 5.164 18.168 12.848 132 HD3 LYS 19 HD3 LYS 19 5.564 17.906 11.147 133 HE2 LYS 19 HE2 LYS 19 6.294 20.365 12.778 134 HE3 LYS 19 HE3 LYS 19 7.386 19.051 12.343 135 HZ1 LYS 19 HZ1 LYS 19 6.022 20.856 10.417 136 HZ2 LYS 19 HZ2 LYS 19 7.088 19.610 10.018 137 HZ3 LYS 19 HZ3 LYS 19 7.647 20.946 10.880 138 H GLN 20 H GLN 20 0.630 17.861 9.416 139 HA GLN 20 HA GLN 20 -0.949 15.839 10.631 140 HB2 GLN 20 HB2 GLN 20 -1.569 17.490 8.143 141 HB3 GLN 20 HB3 GLN 20 -2.748 16.634 9.134 142 HG2 GLN 20 HG2 GLN 20 -2.330 18.129 11.003 143 HG3 GLN 20 HG3 GLN 20 -1.038 18.934 10.114 144 HE21 GLN 20 HE21 GLN 20 -3.474 20.080 11.248 145 HE22 GLN 20 HE22 GLN 20 -4.295 20.845 9.934 146 H LEU 21 H LEU 21 0.567 16.181 7.460 147 HA LEU 21 HA LEU 21 -0.518 13.900 6.195 148 HB2 LEU 21 HB2 LEU 21 2.092 15.371 5.660 149 HB3 LEU 21 HB3 LEU 21 1.421 14.141 4.603 150 HG LEU 21 HG LEU 21 0.160 16.843 5.196 151 HD11 LEU 21 HD11 LEU 21 1.491 15.823 2.676 152 HD12 LEU 21 HD12 LEU 21 2.153 17.024 3.789 153 HD13 LEU 21 HD13 LEU 21 0.693 17.387 2.871 154 HD21 LEU 21 HD21 LEU 21 -1.466 16.267 3.447 155 HD22 LEU 21 HD22 LEU 21 -1.566 15.172 4.821 156 HD23 LEU 21 HD23 LEU 21 -0.773 14.647 3.334 157 H GLN 22 H GLN 22 2.334 14.372 8.269 158 HA GLN 22 HA GLN 22 3.753 12.022 7.656 159 HB2 GLN 22 HB2 GLN 22 3.724 13.714 10.193 160 HB3 GLN 22 HB3 GLN 22 4.798 12.334 9.989 161 HG2 GLN 22 HG2 GLN 22 5.800 13.436 7.999 162 HG3 GLN 22 HG3 GLN 22 4.777 14.840 8.288 163 HE21 GLN 22 HE21 GLN 22 7.543 13.040 9.406 164 HE22 GLN 22 HE22 GLN 22 8.107 14.215 10.541 165 H GLN 23 H GLN 23 1.230 12.607 10.081 166 HA GLN 23 HA GLN 23 1.305 10.064 11.357 167 HB2 GLN 23 HB2 GLN 23 -1.059 11.972 11.075 168 HB3 GLN 23 HB3 GLN 23 -0.927 10.656 12.237 169 HG2 GLN 23 HG2 GLN 23 0.999 11.824 13.297 170 HG3 GLN 23 HG3 GLN 23 0.784 13.157 12.164 171 HE21 GLN 23 HE21 GLN 23 -0.529 11.531 14.956 172 HE22 GLN 23 HE22 GLN 23 -1.686 12.745 15.372 173 H TRP 24 H TRP 24 -0.577 11.393 8.680 174 HA TRP 24 HA TRP 24 -2.213 9.162 8.086 175 HB2 TRP 24 HB2 TRP 24 -2.621 11.512 7.306 176 HB3 TRP 24 HB3 TRP 24 -1.210 11.406 6.269 177 HD1 TRP 24 HD1 TRP 24 -3.234 8.254 6.005 178 HE1 TRP 24 HE1 TRP 24 -4.646 8.295 3.852 179 HE3 TRP 24 HE3 TRP 24 -2.672 13.194 4.730 180 HZ2 TRP 24 HZ2 TRP 24 -5.445 10.159 1.901 181 HZ3 TRP 24 HZ3 TRP 24 -3.814 14.022 2.711 182 HH2 TRP 24 HH2 TRP 24 -5.172 12.534 1.323 183 H LYS 25 H LYS 25 1.019 10.140 7.052 184 HA LYS 25 HA LYS 25 1.372 8.238 4.976 185 HB2 LYS 25 HB2 LYS 25 3.369 9.921 6.555 186 HB3 LYS 25 HB3 LYS 25 3.855 8.851 5.241 187 HG2 LYS 25 HG2 LYS 25 2.526 10.125 3.644 188 HG3 LYS 25 HG3 LYS 25 1.889 11.149 4.932 189 HD2 LYS 25 HD2 LYS 25 4.167 12.035 5.358 190 HD3 LYS 25 HD3 LYS 25 4.812 10.996 4.083 191 HE2 LYS 25 HE2 LYS 25 3.331 12.176 2.448 192 HE3 LYS 25 HE3 LYS 25 2.833 13.272 3.735 193 HZ1 LYS 25 HZ1 LYS 25 5.599 12.943 2.711 194 HZ2 LYS 25 HZ2 LYS 25 5.141 13.978 3.957 195 HZ3 LYS 25 HZ3 LYS 25 4.571 14.243 2.390 196 H ASN 26 H ASN 26 2.185 8.333 8.419 197 HA ASN 26 HA ASN 26 3.552 5.876 8.634 198 HB2 ASN 26 HB2 ASN 26 1.837 7.382 10.661 199 HB3 ASN 26 HB3 ASN 26 2.799 5.963 11.071 200 HD21 ASN 26 HD21 ASN 26 2.930 8.785 11.984 201 HD22 ASN 26 HD22 ASN 26 4.569 9.259 11.722 202 H ASN 27 H ASN 27 0.093 6.712 8.839 203 HA ASN 27 HA ASN 27 -0.917 4.181 9.541 204 HB2 ASN 27 HB2 ASN 27 -2.172 6.495 8.017 205 HB3 ASN 27 HB3 ASN 27 -3.078 5.049 8.442 206 HD21 ASN 27 HD21 ASN 27 -1.998 4.608 11.053 207 HD22 ASN 27 HD22 ASN 27 -2.563 5.891 12.061 208 H LEU 28 H LEU 28 -0.441 5.690 6.350 209 HA LEU 28 HA LEU 28 -1.573 3.604 4.823 210 HB2 LEU 28 HB2 LEU 28 0.450 5.696 3.933 211 HB3 LEU 28 HB3 LEU 28 -0.514 4.691 2.863 212 HG LEU 28 HG LEU 28 -1.469 6.949 4.642 213 HD11 LEU 28 HD11 LEU 28 -1.661 6.572 1.643 214 HD12 LEU 28 HD12 LEU 28 -0.552 7.649 2.494 215 HD13 LEU 28 HD13 LEU 28 -2.288 7.944 2.564 216 HD21 LEU 28 HD21 LEU 28 -3.773 6.444 3.925 217 HD22 LEU 28 HD22 LEU 28 -3.085 5.165 4.920 218 HD23 LEU 28 HD23 LEU 28 -3.206 4.950 3.171 219 H LYS 29 H LYS 29 1.819 4.381 5.614 220 HA LYS 29 HA LYS 29 3.007 2.260 4.140 221 HB2 LYS 29 HB2 LYS 29 4.066 3.857 6.507 222 HB3 LYS 29 HB3 LYS 29 5.041 2.738 5.555 223 HG2 LYS 29 HG2 LYS 29 4.620 4.131 3.535 224 HG3 LYS 29 HG3 LYS 29 3.724 5.277 4.533 225 HD2 LYS 29 HD2 LYS 29 6.648 4.537 4.924 226 HD3 LYS 29 HD3 LYS 29 6.077 5.989 4.106 227 HE2 LYS 29 HE2 LYS 29 5.119 6.851 6.157 228 HE3 LYS 29 HE3 LYS 29 5.439 5.334 7.002 229 HZ1 LYS 29 HZ1 LYS 29 7.779 5.724 6.841 230 HZ2 LYS 29 HZ2 LYS 29 7.067 7.115 7.484 231 HZ3 LYS 29 HZ3 LYS 29 7.553 7.086 5.869 232 H ASN 30 H ASN 30 1.704 2.455 7.413 233 HA ASN 30 HA ASN 30 2.662 -0.023 8.407 234 HB2 ASN 30 HB2 ASN 30 0.301 1.736 9.144 235 HB3 ASN 30 HB3 ASN 30 0.449 0.134 9.861 236 HD21 ASN 30 HD21 ASN 30 0.614 1.104 11.905 237 HD22 ASN 30 HD22 ASN 30 2.076 1.866 12.429 238 H ASP 31 H ASP 31 -0.422 0.859 6.846 239 HA ASP 31 HA ASP 31 -1.539 -1.722 6.720 240 HB2 ASP 31 HB2 ASP 31 -2.000 0.779 5.042 241 HB3 ASP 31 HB3 ASP 31 -2.910 -0.698 4.770 242 H VAL 32 H VAL 32 0.476 0.050 4.389 243 HA VAL 32 HA VAL 32 0.547 -1.789 2.274 244 HB VAL 32 HB VAL 32 2.535 0.328 3.203 245 HG11 VAL 32 HG11 VAL 32 2.715 -1.253 0.619 246 HG12 VAL 32 HG12 VAL 32 3.847 -1.342 1.970 247 HG13 VAL 32 HG13 VAL 32 3.700 0.150 1.039 248 HG21 VAL 32 HG21 VAL 32 1.702 1.608 1.274 249 HG22 VAL 32 HG22 VAL 32 0.377 1.156 2.348 250 HG23 VAL 32 HG23 VAL 32 0.628 0.274 0.841 251 H ASP 33 H ASP 33 2.510 -1.549 5.214 252 HA ASP 33 HA ASP 33 4.303 -3.697 4.525 253 HB2 ASP 33 HB2 ASP 33 4.937 -1.765 6.010 254 HB3 ASP 33 HB3 ASP 33 3.856 -2.395 7.240 255 H ASN 34 H ASN 34 1.238 -3.444 6.211 256 HA ASN 34 HA ASN 34 1.423 -6.028 7.548 257 HB2 ASN 34 HB2 ASN 34 -0.893 -4.050 7.266 258 HB3 ASN 34 HB3 ASN 34 -1.016 -5.566 8.157 259 HD21 ASN 34 HD21 ASN 34 -1.294 -2.793 9.117 260 HD22 ASN 34 HD22 ASN 34 -0.132 -2.617 10.382 261 H THR 35 H THR 35 0.189 -4.775 4.543 262 HA THR 35 HA THR 35 -1.538 -6.995 3.905 263 HB THR 35 HB THR 35 -1.487 -5.960 1.566 264 HG1 THR 35 HG1 THR 35 -0.046 -3.901 2.896 265 HG21 THR 35 HG21 THR 35 -3.294 -5.385 3.127 266 HG22 THR 35 HG22 THR 35 -2.830 -3.978 2.169 267 HG23 THR 35 HG23 THR 35 -2.292 -4.119 3.843 268 H ILE 36 H ILE 36 -1.120 -8.251 1.821 269 HA ILE 36 HA ILE 36 1.391 -9.657 2.231 270 HB ILE 36 HB ILE 36 0.468 -11.436 0.857 271 HG12 ILE 36 HG12 ILE 36 -2.005 -9.729 0.310 272 HG13 ILE 36 HG13 ILE 36 -0.692 -9.916 -0.846 273 HG21 ILE 36 HG21 ILE 36 -0.262 -11.321 3.213 274 HG22 ILE 36 HG22 ILE 36 -1.519 -12.027 2.196 275 HG23 ILE 36 HG23 ILE 36 -1.663 -10.354 2.738 276 HD11 ILE 36 HD11 ILE 36 -2.405 -12.166 0.223 277 HD12 ILE 36 HD12 ILE 36 -1.118 -12.309 -0.979 278 HD13 ILE 36 HD13 ILE 36 -2.570 -11.384 -1.349 279 H LEU 37 H LEU 37 1.373 -6.980 0.812 280 HA LEU 37 HA LEU 37 1.980 -7.277 -1.927 281 HB2 LEU 37 HB2 LEU 37 3.179 -5.180 -0.080 282 HB3 LEU 37 HB3 LEU 37 2.986 -5.074 -1.818 283 HG LEU 37 HG LEU 37 0.830 -4.872 0.303 284 HD11 LEU 37 HD11 LEU 37 2.100 -2.830 -0.091 285 HD12 LEU 37 HD12 LEU 37 0.444 -2.650 -0.663 286 HD13 LEU 37 HD13 LEU 37 1.751 -2.919 -1.820 287 HD21 LEU 37 HD21 LEU 37 -0.816 -4.593 -1.520 288 HD22 LEU 37 HD22 LEU 37 -0.134 -6.214 -1.453 289 HD23 LEU 37 HD23 LEU 37 0.419 -5.078 -2.687 290 H SER 38 H SER 38 4.019 -7.393 -3.008 291 HA SER 38 HA SER 38 6.016 -9.068 -1.907 292 HB2 SER 38 HB2 SER 38 6.219 -7.186 -4.298 293 HB3 SER 38 HB3 SER 38 7.270 -8.571 -3.977 294 HG SER 38 HG SER 38 5.811 -9.495 -5.240 295 H HIS 39 H HIS 39 8.325 -8.500 -1.544 296 HA HIS 39 HA HIS 39 8.705 -6.517 0.382 297 HB2 HIS 39 HB2 HIS 39 10.195 -8.494 0.077 298 HB3 HIS 39 HB3 HIS 39 10.817 -7.798 -1.416 299 HD1 HIS 39 HD1 HIS 39 11.039 -7.521 2.315 300 HD2 HIS 39 HD2 HIS 39 12.735 -5.744 -1.041 301 HE1 HIS 39 HE1 HIS 39 12.993 -6.195 3.163 302 HE2 HIS 39 HE2 HIS 39 13.916 -5.025 1.138 303 H GLU 40 H GLU 40 9.349 -6.447 -3.077 304 HA GLU 40 HA GLU 40 10.531 -3.865 -3.219 305 HB2 GLU 40 HB2 GLU 40 9.140 -5.530 -5.367 306 HB3 GLU 40 HB3 GLU 40 10.055 -4.063 -5.686 307 HG2 GLU 40 HG2 GLU 40 11.397 -5.999 -6.249 308 HG3 GLU 40 HG3 GLU 40 12.112 -5.172 -4.868 309 H GLN 41 H GLN 41 7.197 -5.066 -3.545 310 HA GLN 41 HA GLN 41 6.065 -2.617 -4.485 311 HB2 GLN 41 HB2 GLN 41 4.826 -5.139 -3.307 312 HB3 GLN 41 HB3 GLN 41 3.846 -3.751 -3.768 313 HG2 GLN 41 HG2 GLN 41 5.610 -5.384 -5.604 314 HG3 GLN 41 HG3 GLN 41 3.846 -5.399 -5.552 315 HE21 GLN 41 HE21 GLN 41 2.715 -3.530 -6.306 316 HE22 GLN 41 HE22 GLN 41 3.465 -2.363 -7.329 317 H LYS 42 H LYS 42 6.513 -4.003 -1.266 318 HA LYS 42 HA LYS 42 4.914 -2.159 0.156 319 HB2 LYS 42 HB2 LYS 42 7.304 -3.834 1.015 320 HB3 LYS 42 HB3 LYS 42 6.410 -2.809 2.138 321 HG2 LYS 42 HG2 LYS 42 4.339 -4.075 1.613 322 HG3 LYS 42 HG3 LYS 42 5.275 -5.145 0.562 323 HD2 LYS 42 HD2 LYS 42 6.589 -5.930 2.470 324 HD3 LYS 42 HD3 LYS 42 5.796 -4.770 3.541 325 HE2 LYS 42 HE2 LYS 42 3.666 -5.911 3.258 326 HE3 LYS 42 HE3 LYS 42 4.367 -7.021 2.090 327 HZ1 LYS 42 HZ1 LYS 42 5.833 -7.852 3.863 328 HZ2 LYS 42 HZ2 LYS 42 4.199 -8.064 4.235 329 HZ3 LYS 42 HZ3 LYS 42 5.074 -6.822 4.971 330 H ASN 43 H ASN 43 8.398 -2.284 -0.464 331 HA ASN 43 HA ASN 43 9.131 0.209 0.583 332 HB2 ASN 43 HB2 ASN 43 10.380 -1.464 -1.658 333 HB3 ASN 43 HB3 ASN 43 11.161 -0.063 -0.943 334 HD21 ASN 43 HD21 ASN 43 12.914 -1.372 -0.254 335 HD22 ASN 43 HD22 ASN 43 12.779 -2.466 1.070 336 H GLU 44 H GLU 44 7.922 -0.695 -2.601 337 HA GLU 44 HA GLU 44 8.479 1.630 -4.100 338 HB2 GLU 44 HB2 GLU 44 8.003 -0.493 -5.149 339 HB3 GLU 44 HB3 GLU 44 6.428 -0.602 -4.394 340 HG2 GLU 44 HG2 GLU 44 6.838 1.723 -6.211 341 HG3 GLU 44 HG3 GLU 44 6.856 0.146 -6.982 342 H PHE 45 H PHE 45 5.495 0.611 -2.437 343 HA PHE 45 HA PHE 45 4.048 2.989 -2.984 344 HB2 PHE 45 HB2 PHE 45 3.618 0.696 -1.050 345 HB3 PHE 45 HB3 PHE 45 2.575 2.114 -0.988 346 HD1 PHE 45 HD1 PHE 45 1.500 2.844 -3.261 347 HD2 PHE 45 HD2 PHE 45 3.008 -1.093 -2.526 348 HE1 PHE 45 HE1 PHE 45 0.142 1.970 -5.101 349 HE2 PHE 45 HE2 PHE 45 1.633 -1.956 -4.381 350 HZ PHE 45 HZ PHE 45 0.199 -0.415 -5.671 351 H LYS 46 H LYS 46 5.862 1.890 -0.102 352 HA LYS 46 HA LYS 46 5.292 3.972 1.656 353 HB2 LYS 46 HB2 LYS 46 7.861 2.363 1.369 354 HB3 LYS 46 HB3 LYS 46 7.542 3.446 2.721 355 HG2 LYS 46 HG2 LYS 46 5.669 2.067 3.446 356 HG3 LYS 46 HG3 LYS 46 5.854 1.018 2.034 357 HD2 LYS 46 HD2 LYS 46 8.205 0.487 2.848 358 HD3 LYS 46 HD3 LYS 46 7.828 1.381 4.324 359 HE2 LYS 46 HE2 LYS 46 5.954 -0.187 4.744 360 HE3 LYS 46 HE3 LYS 46 6.417 -1.100 3.312 361 HZ1 LYS 46 HZ1 LYS 46 8.061 -0.699 5.755 362 HZ2 LYS 46 HZ2 LYS 46 8.588 -1.500 4.351 363 HZ3 LYS 46 HZ3 LYS 46 7.329 -2.136 5.256 364 H THR 47 H THR 47 7.815 3.809 -0.834 365 HA THR 47 HA THR 47 9.211 6.172 -0.301 366 HB THR 47 HB THR 47 8.733 4.753 -2.956 367 HG1 THR 47 HG1 THR 47 9.908 3.752 -1.004 368 HG21 THR 47 HG21 THR 47 10.890 6.777 -2.259 369 HG22 THR 47 HG22 THR 47 9.532 7.064 -3.353 370 HG23 THR 47 HG23 THR 47 10.771 5.874 -3.764 371 H LYS 48 H LYS 48 6.460 5.589 -2.503 372 HA LYS 48 HA LYS 48 6.163 8.227 -3.456 373 HB2 LYS 48 HB2 LYS 48 4.078 6.024 -3.184 374 HB3 LYS 48 HB3 LYS 48 3.869 7.497 -4.131 375 HG2 LYS 48 HG2 LYS 48 5.726 6.840 -5.597 376 HG3 LYS 48 HG3 LYS 48 5.974 5.376 -4.637 377 HD2 LYS 48 HD2 LYS 48 3.711 4.591 -5.241 378 HD3 LYS 48 HD3 LYS 48 3.450 6.060 -6.193 379 HE2 LYS 48 HE2 LYS 48 4.092 4.080 -7.570 380 HE3 LYS 48 HE3 LYS 48 5.221 5.428 -7.727 381 HZ1 LYS 48 HZ1 LYS 48 6.326 3.282 -7.480 382 HZ2 LYS 48 HZ2 LYS 48 5.616 3.090 -5.955 383 HZ3 LYS 48 HZ3 LYS 48 6.713 4.336 -6.217 384 H ILE 49 H ILE 49 4.577 6.501 -0.796 385 HA ILE 49 HA ILE 49 2.713 8.404 0.020 386 HB ILE 49 HB ILE 49 4.166 6.277 1.662 387 HG12 ILE 49 HG12 ILE 49 1.372 6.156 0.438 388 HG13 ILE 49 HG13 ILE 49 2.797 5.489 -0.341 389 HG21 ILE 49 HG21 ILE 49 2.307 6.423 3.276 390 HG22 ILE 49 HG22 ILE 49 1.626 7.774 2.368 391 HG23 ILE 49 HG23 ILE 49 3.188 7.950 3.170 392 HD11 ILE 49 HD11 ILE 49 3.093 3.929 1.512 393 HD12 ILE 49 HD12 ILE 49 1.505 3.765 0.765 394 HD13 ILE 49 HD13 ILE 49 1.667 4.596 2.312 395 H ASP 50 H ASP 50 6.115 7.986 1.014 396 HA ASP 50 HA ASP 50 6.141 10.114 2.927 397 HB2 ASP 50 HB2 ASP 50 8.351 8.587 1.509 398 HB3 ASP 50 HB3 ASP 50 8.713 9.903 2.622 399 H GLU 51 H GLU 51 6.969 9.929 -0.519 400 HA GLU 51 HA GLU 51 8.172 12.568 -0.569 401 HB2 GLU 51 HB2 GLU 51 7.553 10.585 -2.790 402 HB3 GLU 51 HB3 GLU 51 8.397 12.108 -3.041 403 HG2 GLU 51 HG2 GLU 51 9.343 9.778 -1.354 404 HG3 GLU 51 HG3 GLU 51 10.003 10.295 -2.902 405 H THR 52 H THR 52 4.986 11.382 -0.948 406 HA THR 52 HA THR 52 4.094 13.559 -2.687 407 HB THR 52 HB THR 52 2.515 11.246 -1.475 408 HG1 THR 52 HG1 THR 52 4.238 10.857 -3.142 409 HG21 THR 52 HG21 THR 52 1.749 13.175 -3.689 410 HG22 THR 52 HG22 THR 52 1.058 13.160 -2.064 411 HG23 THR 52 HG23 THR 52 0.802 11.789 -3.148 412 H ASN 53 H ASN 53 3.709 15.445 -1.756 413 HA ASN 53 HA ASN 53 2.453 15.716 0.884 414 HB2 ASN 53 HB2 ASN 53 3.418 17.775 -1.150 415 HB3 ASN 53 HB3 ASN 53 2.623 18.204 0.364 416 HD21 ASN 53 HD21 ASN 53 3.755 17.895 2.330 417 HD22 ASN 53 HD22 ASN 53 5.463 17.655 2.369 418 H ASP 54 H ASP 54 1.575 15.397 -2.392 419 HA ASP 54 HA ASP 54 -0.794 17.008 -2.417 420 HB2 ASP 54 HB2 ASP 54 0.552 16.356 -4.474 421 HB3 ASP 54 HB3 ASP 54 -0.072 14.719 -4.303 422 H SER 55 H SER 55 -2.452 16.517 -1.154 423 HA SER 55 HA SER 55 -2.886 14.122 0.198 424 HB2 SER 55 HB2 SER 55 -5.156 15.154 0.723 425 HB3 SER 55 HB3 SER 55 -3.761 16.179 1.068 426 HG SER 55 HG SER 55 -4.865 16.447 -1.476 427 H ASP 56 H ASP 56 -4.095 15.169 -2.925 428 HA ASP 56 HA ASP 56 -6.197 13.251 -3.233 429 HB2 ASP 56 HB2 ASP 56 -4.678 14.881 -5.318 430 HB3 ASP 56 HB3 ASP 56 -6.173 13.998 -5.619 431 H ALA 57 H ALA 57 -2.816 13.445 -4.261 432 HA ALA 57 HA ALA 57 -2.767 10.970 -5.689 433 HB1 ALA 57 HB1 ALA 57 -1.173 12.744 -6.190 434 HB2 ALA 57 HB2 ALA 57 -0.314 11.285 -5.692 435 HB3 ALA 57 HB3 ALA 57 -0.492 12.634 -4.568 436 H LEU 58 H LEU 58 -2.260 11.879 -2.316 437 HA LEU 58 HA LEU 58 -1.248 9.367 -1.406 438 HB2 LEU 58 HB2 LEU 58 -2.673 11.647 0.022 439 HB3 LEU 58 HB3 LEU 58 -2.158 10.203 0.874 440 HG LEU 58 HG LEU 58 -0.257 12.065 -0.613 441 HD11 LEU 58 HD11 LEU 58 0.460 12.887 1.581 442 HD12 LEU 58 HD12 LEU 58 -0.772 11.902 2.374 443 HD13 LEU 58 HD13 LEU 58 -1.250 13.226 1.312 444 HD21 LEU 58 HD21 LEU 58 0.565 9.760 -0.462 445 HD22 LEU 58 HD22 LEU 58 0.310 9.762 1.286 446 HD23 LEU 58 HD23 LEU 58 1.514 10.833 0.563 447 H LEU 59 H LEU 59 -4.543 10.737 -1.632 448 HA LEU 59 HA LEU 59 -6.070 8.563 -0.725 449 HB2 LEU 59 HB2 LEU 59 -6.719 10.591 -2.904 450 HB3 LEU 59 HB3 LEU 59 -7.902 9.512 -2.189 451 HG LEU 59 HG LEU 59 -6.399 11.669 -0.653 452 HD11 LEU 59 HD11 LEU 59 -7.879 12.690 -2.311 453 HD12 LEU 59 HD12 LEU 59 -8.492 12.950 -0.681 454 HD13 LEU 59 HD13 LEU 59 -9.241 11.732 -1.718 455 HD21 LEU 59 HD21 LEU 59 -8.046 11.265 1.120 456 HD22 LEU 59 HD22 LEU 59 -7.099 9.819 0.780 457 HD23 LEU 59 HD23 LEU 59 -8.754 9.950 0.178 458 H GLU 60 H GLU 60 -4.644 9.241 -3.871 459 HA GLU 60 HA GLU 60 -5.765 7.104 -5.364 460 HB2 GLU 60 HB2 GLU 60 -4.787 9.133 -6.407 461 HB3 GLU 60 HB3 GLU 60 -3.195 8.683 -5.809 462 HG2 GLU 60 HG2 GLU 60 -3.285 6.623 -7.217 463 HG3 GLU 60 HG3 GLU 60 -4.837 7.159 -7.855 464 H LEU 61 H LEU 61 -2.760 7.475 -3.504 465 HA LEU 61 HA LEU 61 -1.544 4.997 -4.175 466 HB2 LEU 61 HB2 LEU 61 -1.216 6.834 -1.769 467 HB3 LEU 61 HB3 LEU 61 -0.238 5.393 -1.991 468 HG LEU 61 HG LEU 61 -0.323 7.709 -3.959 469 HD11 LEU 61 HD11 LEU 61 1.798 7.081 -1.888 470 HD12 LEU 61 HD12 LEU 61 0.669 8.437 -1.846 471 HD13 LEU 61 HD13 LEU 61 1.882 8.345 -3.119 472 HD21 LEU 61 HD21 LEU 61 0.229 5.589 -5.026 473 HD22 LEU 61 HD22 LEU 61 1.494 5.283 -3.833 474 HD23 LEU 61 HD23 LEU 61 1.646 6.634 -4.960 475 H GLU 62 H GLU 62 -3.867 5.917 -1.671 476 HA GLU 62 HA GLU 62 -3.955 3.465 -0.270 477 HB2 GLU 62 HB2 GLU 62 -6.218 5.460 -0.697 478 HB3 GLU 62 HB3 GLU 62 -6.164 4.206 0.541 479 HG2 GLU 62 HG2 GLU 62 -4.138 5.304 1.503 480 HG3 GLU 62 HG3 GLU 62 -4.330 6.599 0.322 481 H ASN 63 H ASN 63 -5.922 4.714 -2.945 482 HA ASN 63 HA ASN 63 -7.533 2.491 -3.454 483 HB2 ASN 63 HB2 ASN 63 -7.894 4.763 -4.421 484 HB3 ASN 63 HB3 ASN 63 -6.464 4.561 -5.430 485 HD21 ASN 63 HD21 ASN 63 -7.374 4.610 -7.406 486 HD22 ASN 63 HD22 ASN 63 -8.577 3.509 -7.976 487 H GLN 64 H GLN 64 -4.232 3.196 -4.404 488 HA GLN 64 HA GLN 64 -3.994 1.212 -6.452 489 HB2 GLN 64 HB2 GLN 64 -2.029 3.027 -5.036 490 HB3 GLN 64 HB3 GLN 64 -1.454 1.771 -6.122 491 HG2 GLN 64 HG2 GLN 64 -3.385 3.962 -6.929 492 HG3 GLN 64 HG3 GLN 64 -1.638 4.026 -7.174 493 HE21 GLN 64 HE21 GLN 64 -3.927 3.970 -9.067 494 HE22 GLN 64 HE22 GLN 64 -3.571 2.691 -10.171 495 H PHE 65 H PHE 65 -2.774 1.356 -3.019 496 HA PHE 65 HA PHE 65 -1.492 -1.232 -3.321 497 HB2 PHE 65 HB2 PHE 65 -0.530 -0.963 -1.212 498 HB3 PHE 65 HB3 PHE 65 -0.712 0.700 -1.731 499 HD1 PHE 65 HD1 PHE 65 -2.271 2.202 -0.559 500 HD2 PHE 65 HD2 PHE 65 -1.884 -1.885 0.638 501 HE1 PHE 65 HE1 PHE 65 -3.443 2.699 1.545 502 HE2 PHE 65 HE2 PHE 65 -3.062 -1.381 2.729 503 HZ PHE 65 HZ PHE 65 -3.843 0.912 3.186 504 H ASN 66 H ASN 66 -4.532 -0.071 -2.012 505 HA ASN 66 HA ASN 66 -5.420 -2.508 -0.832 506 HB2 ASN 66 HB2 ASN 66 -6.950 -0.103 -1.912 507 HB3 ASN 66 HB3 ASN 66 -7.747 -1.462 -1.125 508 HD21 ASN 66 HD21 ASN 66 -7.488 1.432 -0.394 509 HD22 ASN 66 HD22 ASN 66 -6.873 1.435 1.220 510 H GLU 67 H GLU 67 -5.614 -1.149 -4.115 511 HA GLU 67 HA GLU 67 -7.180 -3.230 -5.249 512 HB2 GLU 67 HB2 GLU 67 -6.789 -1.003 -6.348 513 HB3 GLU 67 HB3 GLU 67 -5.117 -1.477 -6.642 514 HG2 GLU 67 HG2 GLU 67 -6.402 -1.780 -8.669 515 HG3 GLU 67 HG3 GLU 67 -5.922 -3.359 -8.055 516 H THR 68 H THR 68 -3.649 -2.689 -5.043 517 HA THR 68 HA THR 68 -2.774 -4.900 -6.544 518 HB THR 68 HB THR 68 -1.309 -3.565 -4.213 519 HG1 THR 68 HG1 THR 68 -2.087 -2.330 -6.275 520 HG21 THR 68 HG21 THR 68 0.766 -4.288 -5.341 521 HG22 THR 68 HG22 THR 68 -0.179 -5.100 -6.590 522 HG23 THR 68 HG23 THR 68 -0.230 -5.689 -4.928 523 H ASN 69 H ASN 69 -3.387 -4.497 -3.095 524 HA ASN 69 HA ASN 69 -2.587 -7.061 -2.218 525 HB2 ASN 69 HB2 ASN 69 -2.754 -5.156 -0.687 526 HB3 ASN 69 HB3 ASN 69 -4.486 -5.029 -0.976 527 HD21 ASN 69 HD21 ASN 69 -2.067 -7.423 0.093 528 HD22 ASN 69 HD22 ASN 69 -3.046 -8.097 1.349 529 H ARG 70 H ARG 70 -5.737 -5.731 -3.229 530 HA ARG 70 HA ARG 70 -7.368 -7.963 -2.663 531 HB2 ARG 70 HB2 ARG 70 -8.230 -5.695 -3.220 532 HB3 ARG 70 HB3 ARG 70 -7.655 -5.880 -4.874 533 HG2 ARG 70 HG2 ARG 70 -9.245 -7.769 -5.194 534 HG3 ARG 70 HG3 ARG 70 -9.838 -7.534 -3.549 535 HD2 ARG 70 HD2 ARG 70 -10.011 -5.534 -5.828 536 HD3 ARG 70 HD3 ARG 70 -11.347 -6.475 -5.161 537 HE ARG 70 HE ARG 70 -11.020 -5.216 -3.046 538 HH11 ARG 70 HH11 ARG 70 -9.807 -3.784 -6.041 539 HH12 ARG 70 HH12 ARG 70 -9.887 -2.164 -5.434 540 HH21 ARG 70 HH21 ARG 70 -11.114 -3.076 -2.267 541 HH22 ARG 70 HH22 ARG 70 -10.629 -1.756 -3.289 542 H LEU 71 H LEU 71 -5.690 -7.001 -5.650 543 HA LEU 71 HA LEU 71 -6.409 -9.129 -7.330 544 HB2 LEU 71 HB2 LEU 71 -3.878 -7.431 -7.334 545 HB3 LEU 71 HB3 LEU 71 -4.380 -8.464 -8.662 546 HG LEU 71 HG LEU 71 -5.912 -6.025 -7.677 547 HD11 LEU 71 HD11 LEU 71 -4.196 -6.332 -10.160 548 HD12 LEU 71 HD12 LEU 71 -3.807 -5.371 -8.732 549 HD13 LEU 71 HD13 LEU 71 -5.179 -4.923 -9.741 550 HD21 LEU 71 HD21 LEU 71 -7.276 -6.300 -9.700 551 HD22 LEU 71 HD22 LEU 71 -7.412 -7.692 -8.629 552 HD23 LEU 71 HD23 LEU 71 -6.418 -7.795 -10.086 553 H LEU 72 H LEU 72 -3.767 -8.721 -5.046 554 HA LEU 72 HA LEU 72 -2.328 -11.098 -5.559 555 HB2 LEU 72 HB2 LEU 72 -2.524 -9.258 -3.164 556 HB3 LEU 72 HB3 LEU 72 -1.559 -10.720 -3.089 557 HG LEU 72 HG LEU 72 -1.086 -8.463 -5.067 558 HD11 LEU 72 HD11 LEU 72 -0.679 -7.763 -2.750 559 HD12 LEU 72 HD12 LEU 72 0.829 -7.883 -3.659 560 HD13 LEU 72 HD13 LEU 72 0.386 -9.150 -2.507 561 HD21 LEU 72 HD21 LEU 72 -0.325 -10.612 -5.928 562 HD22 LEU 72 HD22 LEU 72 0.534 -10.951 -4.422 563 HD23 LEU 72 HD23 LEU 72 1.063 -9.625 -5.470 564 H HIS 73 H HIS 73 -4.975 -10.376 -3.239 565 HA HIS 73 HA HIS 73 -4.848 -12.906 -1.928 566 HB2 HIS 73 HB2 HIS 73 -7.021 -10.790 -2.018 567 HB3 HIS 73 HB3 HIS 73 -7.232 -12.296 -1.131 568 HD1 HIS 73 HD1 HIS 73 -4.969 -12.727 0.566 569 HD2 HIS 73 HD2 HIS 73 -6.109 -8.847 -0.360 570 HE1 HIS 73 HE1 HIS 73 -3.909 -11.257 2.312 571 HE2 HIS 73 HE2 HIS 73 -4.926 -8.998 1.916 572 H ILE 74 H ILE 74 -6.510 -11.790 -4.776 573 HA ILE 74 HA ILE 74 -8.225 -14.071 -5.106 574 HB ILE 74 HB ILE 74 -7.380 -11.904 -7.075 575 HG12 ILE 74 HG12 ILE 74 -9.975 -12.142 -5.479 576 HG13 ILE 74 HG13 ILE 74 -8.625 -11.115 -5.016 577 HG21 ILE 74 HG21 ILE 74 -9.354 -12.567 -8.419 578 HG22 ILE 74 HG22 ILE 74 -9.638 -13.923 -7.327 579 HG23 ILE 74 HG23 ILE 74 -8.171 -13.871 -8.307 580 HD11 ILE 74 HD11 ILE 74 -8.905 -9.824 -7.077 581 HD12 ILE 74 HD12 ILE 74 -10.356 -9.825 -6.077 582 HD13 ILE 74 HD13 ILE 74 -10.283 -10.837 -7.518 583 H LYS 75 H LYS 75 -5.209 -12.961 -6.653 584 HA LYS 75 HA LYS 75 -4.816 -15.126 -8.419 585 HB2 LYS 75 HB2 LYS 75 -3.687 -13.017 -8.794 586 HB3 LYS 75 HB3 LYS 75 -2.915 -13.082 -7.216 587 HG2 LYS 75 HG2 LYS 75 -1.541 -15.004 -7.972 588 HG3 LYS 75 HG3 LYS 75 -2.310 -14.916 -9.561 589 HD2 LYS 75 HD2 LYS 75 -1.369 -12.697 -9.955 590 HD3 LYS 75 HD3 LYS 75 -0.730 -12.630 -8.310 591 HE2 LYS 75 HE2 LYS 75 0.156 -14.611 -10.440 592 HE3 LYS 75 HE3 LYS 75 1.021 -13.137 -10.001 593 HZ1 LYS 75 HZ1 LYS 75 2.008 -14.974 -8.875 594 HZ2 LYS 75 HZ2 LYS 75 0.520 -15.489 -8.252 595 HZ3 LYS 75 HZ3 LYS 75 1.207 -14.043 -7.719 596 H GLN 76 H GLN 76 -3.471 -14.458 -5.201 597 HA GLN 76 HA GLN 76 -1.804 -16.740 -5.029 598 HB2 GLN 76 HB2 GLN 76 -1.283 -14.769 -3.711 599 HB3 GLN 76 HB3 GLN 76 -2.825 -14.851 -2.870 600 HG2 GLN 76 HG2 GLN 76 -2.144 -16.845 -1.677 601 HG3 GLN 76 HG3 GLN 76 -0.674 -16.975 -2.640 602 HE21 GLN 76 HE21 GLN 76 -2.312 -15.028 -0.213 603 HE22 GLN 76 HE22 GLN 76 -0.888 -14.333 0.466 604 H HIS 77 H HIS 77 -5.144 -16.108 -3.968 605 HA HIS 77 HA HIS 77 -5.552 -18.418 -2.419 606 HB2 HIS 77 HB2 HIS 77 -7.251 -16.694 -2.423 607 HB3 HIS 77 HB3 HIS 77 -7.501 -16.853 -4.159 608 HD1 HIS 77 HD1 HIS 77 -8.158 -18.722 -0.914 609 HD2 HIS 77 HD2 HIS 77 -9.415 -18.738 -4.870 610 HE1 HIS 77 HE1 HIS 77 -10.087 -20.319 -1.000 611 HE2 HIS 77 HE2 HIS 77 -10.804 -20.334 -3.413 612 H GLU 78 H GLU 78 -5.913 -17.889 -5.908 613 HA GLU 78 HA GLU 78 -6.816 -20.473 -6.609 614 HB2 GLU 78 HB2 GLU 78 -5.362 -18.341 -8.207 615 HB3 GLU 78 HB3 GLU 78 -6.032 -19.797 -8.929 616 HG2 GLU 78 HG2 GLU 78 -7.619 -17.669 -7.473 617 HG3 GLU 78 HG3 GLU 78 -7.497 -17.838 -9.222 618 H GLU 79 H GLU 79 -3.596 -19.125 -6.188 619 HA GLU 79 HA GLU 79 -2.139 -21.370 -7.241 620 HB2 GLU 79 HB2 GLU 79 -1.222 -19.046 -5.494 621 HB3 GLU 79 HB3 GLU 79 -0.149 -20.191 -6.297 622 HG2 GLU 79 HG2 GLU 79 -0.912 -19.423 -8.494 623 HG3 GLU 79 HG3 GLU 79 -2.078 -18.343 -7.735 624 H VAL 80 H VAL 80 -3.284 -20.383 -4.049 625 HA VAL 80 HA VAL 80 -1.964 -22.408 -2.534 626 HB VAL 80 HB VAL 80 -4.491 -20.785 -1.955 627 HG11 VAL 80 HG11 VAL 80 -3.052 -22.671 -0.056 628 HG12 VAL 80 HG12 VAL 80 -4.669 -22.909 -0.724 629 HG13 VAL 80 HG13 VAL 80 -4.359 -21.574 0.387 630 HG21 VAL 80 HG21 VAL 80 -3.064 -19.560 -0.348 631 HG22 VAL 80 HG22 VAL 80 -2.397 -19.471 -1.979 632 HG23 VAL 80 HG23 VAL 80 -1.687 -20.568 -0.796 633 H GLU 81 H GLU 81 -5.227 -22.153 -3.984 634 HA GLU 81 HA GLU 81 -6.207 -24.704 -3.344 635 HB2 GLU 81 HB2 GLU 81 -6.851 -22.970 -5.769 636 HB3 GLU 81 HB3 GLU 81 -7.788 -24.368 -5.261 637 HG2 GLU 81 HG2 GLU 81 -7.447 -21.776 -3.731 638 HG3 GLU 81 HG3 GLU 81 -8.884 -22.301 -4.605 639 H LYS 82 H LYS 82 -4.056 -23.635 -5.873 640 HA LYS 82 HA LYS 82 -4.219 -25.782 -7.674 641 HB2 LYS 82 HB2 LYS 82 -3.211 -23.509 -8.090 642 HB3 LYS 82 HB3 LYS 82 -1.828 -23.970 -7.126 643 HG2 LYS 82 HG2 LYS 82 -2.555 -25.599 -9.562 644 HG3 LYS 82 HG3 LYS 82 -1.727 -24.054 -9.757 645 HD2 LYS 82 HD2 LYS 82 0.085 -24.901 -8.230 646 HD3 LYS 82 HD3 LYS 82 -0.723 -26.470 -8.208 647 HE2 LYS 82 HE2 LYS 82 -0.407 -26.646 -10.666 648 HE3 LYS 82 HE3 LYS 82 0.425 -25.087 -10.660 649 HZ1 LYS 82 HZ1 LYS 82 2.095 -26.045 -9.179 650 HZ2 LYS 82 HZ2 LYS 82 2.008 -26.896 -10.637 651 HZ3 LYS 82 HZ3 LYS 82 1.313 -27.542 -9.241 652 H ASP 83 H ASP 83 -1.982 -25.213 -4.946 653 HA ASP 83 HA ASP 83 -0.695 -27.812 -5.153 654 HB2 ASP 83 HB2 ASP 83 -0.507 -25.582 -3.080 655 HB3 ASP 83 HB3 ASP 83 0.469 -27.045 -3.030 656 H LYS 84 H LYS 84 -2.934 -26.264 -2.939 657 HA LYS 84 HA LYS 84 -3.196 -28.200 -0.934 658 HB2 LYS 84 HB2 LYS 84 -3.868 -26.047 -0.340 659 HB3 LYS 84 HB3 LYS 84 -4.716 -25.771 -1.850 660 HG2 LYS 84 HG2 LYS 84 -6.595 -27.144 -1.068 661 HG3 LYS 84 HG3 LYS 84 -5.734 -27.471 0.442 662 HD2 LYS 84 HD2 LYS 84 -5.809 -25.145 1.091 663 HD3 LYS 84 HD3 LYS 84 -6.405 -24.656 -0.498 664 HE2 LYS 84 HE2 LYS 84 -7.962 -26.459 1.377 665 HE3 LYS 84 HE3 LYS 84 -8.138 -24.705 1.342 666 HZ1 LYS 84 HZ1 LYS 84 -9.821 -25.791 -0.004 667 HZ2 LYS 84 HZ2 LYS 84 -8.633 -26.519 -0.961 668 HZ3 LYS 84 HZ3 LYS 84 -8.817 -24.842 -0.972 669 H LYS 85 H LYS 85 -4.732 -27.983 -4.061 670 HA LYS 85 HA LYS 85 -6.355 -30.385 -3.487 671 HB2 LYS 85 HB2 LYS 85 -7.594 -28.076 -3.571 672 HB3 LYS 85 HB3 LYS 85 -7.288 -28.119 -5.301 673 HG2 LYS 85 HG2 LYS 85 -8.606 -30.192 -5.487 674 HG3 LYS 85 HG3 LYS 85 -8.878 -30.180 -3.738 675 HD2 LYS 85 HD2 LYS 85 -10.044 -27.973 -3.963 676 HD3 LYS 85 HD3 LYS 85 -9.819 -28.053 -5.712 677 HE2 LYS 85 HE2 LYS 85 -11.213 -30.086 -5.793 678 HE3 LYS 85 HE3 LYS 85 -11.428 -30.005 -4.042 679 HZ1 LYS 85 HZ1 LYS 85 -12.360 -28.002 -6.029 680 HZ2 LYS 85 HZ2 LYS 85 -12.489 -27.817 -4.353 681 HZ3 LYS 85 HZ3 LYS 85 -13.327 -29.057 -5.138 682 H ALA 86 H ALA 86 -3.726 -30.267 -4.531 683 HA ALA 86 HA ALA 86 -3.759 -30.508 -7.440 684 HB1 ALA 86 HB1 ALA 86 -1.516 -30.959 -5.441 685 HB2 ALA 86 HB2 ALA 86 -1.858 -29.447 -6.279 686 HB3 ALA 86 HB3 ALA 86 -1.336 -30.859 -7.194 687 H LYS 87 H LYS 87 -5.475 -32.374 -6.614 688 HA LYS 87 HA LYS 87 -4.323 -34.889 -5.863 689 HB2 LYS 87 HB2 LYS 87 -7.131 -34.230 -6.832 690 HB3 LYS 87 HB3 LYS 87 -6.639 -35.731 -6.045 691 HG2 LYS 87 HG2 LYS 87 -6.096 -34.511 -3.980 692 HG3 LYS 87 HG3 LYS 87 -6.494 -32.980 -4.760 693 HD2 LYS 87 HD2 LYS 87 -8.306 -33.712 -3.281 694 HD3 LYS 87 HD3 LYS 87 -8.850 -33.673 -4.957 695 HE2 LYS 87 HE2 LYS 87 -7.876 -36.250 -3.710 696 HE3 LYS 87 HE3 LYS 87 -9.523 -35.685 -3.447 697 HZ1 LYS 87 HZ1 LYS 87 -8.291 -36.291 -6.083 698 HZ2 LYS 87 HZ2 LYS 87 -9.850 -35.685 -5.855 699 HZ3 LYS 87 HZ3 LYS 87 -9.447 -37.220 -5.277 700 H GLN 88 H GLN 88 -5.075 -33.358 -8.904 701 HA GLN 88 HA GLN 88 -4.603 -35.804 -10.479 702 HB2 GLN 88 HB2 GLN 88 -5.168 -32.936 -11.368 703 HB3 GLN 88 HB3 GLN 88 -5.092 -34.341 -12.426 704 HG2 GLN 88 HG2 GLN 88 -7.057 -35.315 -11.301 705 HG3 GLN 88 HG3 GLN 88 -7.132 -33.923 -10.220 706 HE21 GLN 88 HE21 GLN 88 -9.151 -34.915 -12.081 707 HE22 GLN 88 HE22 GLN 88 -9.501 -33.602 -13.144 708 H GLN 89 H GLN 89 -2.564 -34.411 -8.737 709 HA GLN 89 HA GLN 89 -0.312 -34.436 -10.640 710 HB2 GLN 89 HB2 GLN 89 -1.221 -32.025 -9.923 711 HB3 GLN 89 HB3 GLN 89 -0.420 -32.358 -8.404 712 HG2 GLN 89 HG2 GLN 89 1.026 -32.385 -11.070 713 HG3 GLN 89 HG3 GLN 89 0.830 -30.934 -10.105 714 HE21 GLN 89 HE21 GLN 89 2.627 -33.820 -10.519 715 HE22 GLN 89 HE22 GLN 89 3.721 -33.592 -9.206 716 H LYS 90 H LYS 90 1.750 -35.007 -9.399 717 HA LYS 90 HA LYS 90 1.381 -36.918 -7.365 718 HB2 LYS 90 HB2 LYS 90 3.363 -36.891 -8.879 719 HB3 LYS 90 HB3 LYS 90 3.963 -35.456 -8.055 720 HG2 LYS 90 HG2 LYS 90 5.118 -37.474 -7.266 721 HG3 LYS 90 HG3 LYS 90 4.179 -36.741 -5.959 722 HD2 LYS 90 HD2 LYS 90 2.345 -38.419 -6.448 723 HD3 LYS 90 HD3 LYS 90 3.432 -39.194 -7.602 724 HE2 LYS 90 HE2 LYS 90 3.956 -38.872 -4.631 725 HE3 LYS 90 HE3 LYS 90 3.405 -40.348 -5.421 726 HZ1 LYS 90 HZ1 LYS 90 5.751 -40.448 -5.046 727 HZ2 LYS 90 HZ2 LYS 90 6.005 -38.986 -5.856 728 HZ3 LYS 90 HZ3 LYS 90 5.476 -40.340 -6.709 729 H THR 91 H THR 91 0.256 -36.143 -5.677 730 HA THR 91 HA THR 91 1.517 -34.471 -3.649 731 HB THR 91 HB THR 91 -1.159 -33.709 -4.945 732 HG1 THR 91 HG1 THR 91 1.422 -32.825 -5.322 733 HG21 THR 91 HG21 THR 91 -1.230 -31.778 -3.453 734 HG22 THR 91 HG22 THR 91 0.270 -32.284 -2.675 735 HG23 THR 91 HG23 THR 91 -1.190 -33.261 -2.494 736 H LEU 92 H LEU 92 0.487 -34.772 -1.590 737 HA LEU 92 HA LEU 92 -0.684 -37.274 -1.038 738 HB2 LEU 92 HB2 LEU 92 -0.702 -34.714 0.603 739 HB3 LEU 92 HB3 LEU 92 -1.131 -36.295 1.215 740 HG LEU 92 HG LEU 92 1.626 -35.500 0.221 741 HD11 LEU 92 HD11 LEU 92 1.088 -34.377 2.321 742 HD12 LEU 92 HD12 LEU 92 2.318 -35.612 2.574 743 HD13 LEU 92 HD13 LEU 92 0.649 -35.920 3.062 744 HD21 LEU 92 HD21 LEU 92 2.370 -37.666 1.136 745 HD22 LEU 92 HD22 LEU 92 1.213 -37.868 -0.175 746 HD23 LEU 92 HD23 LEU 92 0.693 -38.090 1.497 747 H LYS 93 H LYS 93 -2.885 -37.552 0.033 748 HA LYS 93 HA LYS 93 -4.885 -36.433 -1.758 749 HB2 LYS 93 HB2 LYS 93 -4.769 -38.911 -1.192 750 HB3 LYS 93 HB3 LYS 93 -5.348 -38.505 0.421 751 HG2 LYS 93 HG2 LYS 93 -7.433 -37.586 -0.550 752 HG3 LYS 93 HG3 LYS 93 -6.841 -37.949 -2.168 753 HD2 LYS 93 HD2 LYS 93 -8.263 -39.760 -1.778 754 HD3 LYS 93 HD3 LYS 93 -6.709 -40.432 -1.294 755 HE2 LYS 93 HE2 LYS 93 -8.784 -39.281 0.604 756 HE3 LYS 93 HE3 LYS 93 -8.553 -40.994 0.277 757 HZ1 LYS 93 HZ1 LYS 93 -6.318 -40.823 1.202 758 HZ2 LYS 93 HZ2 LYS 93 -7.487 -40.363 2.328 759 HZ3 LYS 93 HZ3 LYS 93 -6.563 -39.187 1.543 760 H GLN 94 H GLN 94 -4.375 -34.252 -0.656 761 HA GLN 94 HA GLN 94 -6.192 -33.686 1.540 762 HB2 GLN 94 HB2 GLN 94 -4.687 -31.866 -0.383 763 HB3 GLN 94 HB3 GLN 94 -5.863 -31.253 0.771 764 HG2 GLN 94 HG2 GLN 94 -3.712 -30.920 1.732 765 HG3 GLN 94 HG3 GLN 94 -4.468 -32.246 2.616 766 HE21 GLN 94 HE21 GLN 94 -2.511 -33.090 3.338 767 HE22 GLN 94 HE22 GLN 94 -1.378 -33.860 2.288 768 H SER 95 H SER 95 -7.978 -34.769 0.768 769 HA SER 95 HA SER 95 -9.242 -34.121 -1.751 770 HB2 SER 95 HB2 SER 95 -10.973 -35.815 -0.853 771 HB3 SER 95 HB3 SER 95 -9.339 -36.424 -1.115 772 HG SER 95 HG SER 95 -9.762 -35.407 1.405 773 H ASP 96 H ASP 96 -9.239 -31.803 -0.971 774 HA ASP 96 HA ASP 96 -10.917 -30.888 1.107 775 HB2 ASP 96 HB2 ASP 96 -9.050 -29.549 0.206 776 HB3 ASP 96 HB3 ASP 96 -9.855 -29.423 -1.355 777 H THR 97 H THR 97 -12.956 -31.735 0.978 778 HA THR 97 HA THR 97 -14.629 -31.564 -1.349 779 HB THR 97 HB THR 97 -15.517 -32.104 1.526 780 HG1 THR 97 HG1 THR 97 -13.983 -33.606 -0.188 781 HG21 THR 97 HG21 THR 97 -17.373 -31.722 -0.091 782 HG22 THR 97 HG22 THR 97 -17.333 -33.395 0.466 783 HG23 THR 97 HG23 THR 97 -16.713 -32.991 -1.134 784 H LYS 98 H LYS 98 -14.456 -29.395 -1.859 785 HA LYS 98 HA LYS 98 -16.347 -27.566 -0.779 786 HB2 LYS 98 HB2 LYS 98 -14.521 -27.334 0.950 787 HB3 LYS 98 HB3 LYS 98 -13.392 -26.888 -0.321 788 HG2 LYS 98 HG2 LYS 98 -14.885 -24.885 -0.798 789 HG3 LYS 98 HG3 LYS 98 -15.797 -25.313 0.654 790 HD2 LYS 98 HD2 LYS 98 -13.741 -25.064 2.014 791 HD3 LYS 98 HD3 LYS 98 -12.829 -24.646 0.560 792 HE2 LYS 98 HE2 LYS 98 -15.109 -23.059 1.779 793 HE3 LYS 98 HE3 LYS 98 -13.400 -22.625 1.800 794 HZ1 LYS 98 HZ1 LYS 98 -14.475 -21.384 0.097 795 HZ2 LYS 98 HZ2 LYS 98 -15.172 -22.768 -0.580 796 HZ3 LYS 98 HZ3 LYS 98 -13.504 -22.541 -0.659 797 H VAL 99 H VAL 99 -16.425 -25.636 -2.104 798 HA VAL 99 HA VAL 99 -14.935 -25.747 -4.660 799 HB VAL 99 HB VAL 99 -17.594 -24.354 -4.068 800 HG11 VAL 99 HG11 VAL 99 -16.185 -24.785 -6.729 801 HG12 VAL 99 HG12 VAL 99 -16.349 -23.246 -5.880 802 HG13 VAL 99 HG13 VAL 99 -17.780 -24.060 -6.513 803 HG21 VAL 99 HG21 VAL 99 -18.678 -26.141 -5.370 804 HG22 VAL 99 HG22 VAL 99 -17.850 -26.803 -3.960 805 HG23 VAL 99 HG23 VAL 99 -17.125 -26.958 -5.563 Start of MODEL 2 1 H2 GLY 1 H2 GLY 1 4.395 15.028 14.785 2 H GLY 1 H1 GLY 1 5.612 14.693 13.663 3 H3 GLY 1 H3 GLY 1 5.937 14.596 15.319 4 HA2 GLY 1 HA2 GLY 1 6.862 16.615 14.395 5 HA3 GLY 1 HA3 GLY 1 5.260 17.054 13.816 6 H VAL 2 H VAL 2 5.875 19.012 15.142 7 HA VAL 2 HA VAL 2 5.572 18.716 18.035 8 HB VAL 2 HB VAL 2 5.996 21.217 18.100 9 HG11 VAL 2 HG11 VAL 2 8.412 21.028 17.633 10 HG12 VAL 2 HG12 VAL 2 8.129 19.542 16.723 11 HG13 VAL 2 HG13 VAL 2 7.813 19.587 18.459 12 HG21 VAL 2 HG21 VAL 2 5.248 21.846 15.821 13 HG22 VAL 2 HG22 VAL 2 6.562 20.906 15.113 14 HG23 VAL 2 HG23 VAL 2 6.924 22.339 16.080 15 H GLU 3 H GLU 3 3.340 17.825 17.608 16 HA GLU 3 HA GLU 3 1.210 19.750 17.337 17 HB2 GLU 3 HB2 GLU 3 0.761 17.362 16.889 18 HB3 GLU 3 HB3 GLU 3 1.181 16.951 18.545 19 HG2 GLU 3 HG2 GLU 3 -1.219 16.919 18.358 20 HG3 GLU 3 HG3 GLU 3 -0.772 18.301 19.350 21 H LYS 4 H LYS 4 1.909 21.386 18.669 22 HA LYS 4 HA LYS 4 1.753 20.965 21.599 23 HB2 LYS 4 HB2 LYS 4 4.110 21.195 20.944 24 HB3 LYS 4 HB3 LYS 4 3.749 22.664 20.044 25 HG2 LYS 4 HG2 LYS 4 3.251 23.864 22.106 26 HG3 LYS 4 HG3 LYS 4 3.424 22.381 23.047 27 HD2 LYS 4 HD2 LYS 4 5.409 23.835 23.250 28 HD3 LYS 4 HD3 LYS 4 5.810 22.277 22.526 29 HE2 LYS 4 HE2 LYS 4 5.858 23.321 20.290 30 HE3 LYS 4 HE3 LYS 4 5.390 24.870 20.993 31 HZ1 LYS 4 HZ1 LYS 4 7.756 24.789 20.605 32 HZ2 LYS 4 HZ2 LYS 4 7.906 23.390 21.538 33 HZ3 LYS 4 HZ3 LYS 4 7.462 24.847 22.270 34 H THR 5 H THR 5 1.414 23.140 18.846 35 HA THR 5 HA THR 5 -0.893 24.429 20.035 36 HB THR 5 HB THR 5 1.026 25.786 20.916 37 HG1 THR 5 HG1 THR 5 -0.790 26.959 20.713 38 HG21 THR 5 HG21 THR 5 2.360 27.197 19.415 39 HG22 THR 5 HG22 THR 5 1.570 26.494 18.003 40 HG23 THR 5 HG23 THR 5 2.612 25.495 19.021 41 H ALA 6 H ALA 6 -2.045 25.734 18.505 42 HA ALA 6 HA ALA 6 -1.377 26.043 15.774 43 HB1 ALA 6 HB1 ALA 6 -3.121 24.573 14.791 44 HB2 ALA 6 HB2 ALA 6 -3.471 23.912 16.392 45 HB3 ALA 6 HB3 ALA 6 -1.895 23.636 15.647 46 H GLY 7 H GLY 7 -4.382 25.395 17.607 47 HA2 GLY 7 HA2 GLY 7 -6.122 26.734 18.249 48 HA3 GLY 7 HA3 GLY 7 -5.218 28.146 17.726 49 H GLU 8 H GLU 8 -4.951 28.269 15.291 50 HA GLU 8 HA GLU 8 -7.382 27.458 13.811 51 HB2 GLU 8 HB2 GLU 8 -7.083 29.534 12.484 52 HB3 GLU 8 HB3 GLU 8 -7.326 29.891 14.191 53 HG2 GLU 8 HG2 GLU 8 -4.866 30.207 14.441 54 HG3 GLU 8 HG3 GLU 8 -4.681 29.909 12.713 55 H THR 9 H THR 9 -6.888 27.478 11.363 56 HA THR 9 HA THR 9 -4.376 26.001 10.858 57 HB THR 9 HB THR 9 -6.459 24.849 10.193 58 HG1 THR 9 HG1 THR 9 -4.714 25.654 8.090 59 HG21 THR 9 HG21 THR 9 -7.788 25.650 8.260 60 HG22 THR 9 HG22 THR 9 -6.854 27.147 8.242 61 HG23 THR 9 HG23 THR 9 -7.887 26.767 9.623 62 H SER 10 H SER 10 -6.016 28.974 10.146 63 HA SER 10 HA SER 10 -5.510 30.876 9.048 64 HB2 SER 10 HB2 SER 10 -2.657 29.793 8.997 65 HB3 SER 10 HB3 SER 10 -3.133 31.471 8.750 66 HG SER 10 HG SER 10 -4.116 31.257 10.918 67 H ALA 11 H ALA 11 -4.167 31.685 6.901 68 HA ALA 11 HA ALA 11 -5.131 30.099 4.646 69 HB1 ALA 11 HB1 ALA 11 -5.448 32.553 4.671 70 HB2 ALA 11 HB2 ALA 11 -4.471 32.052 3.289 71 HB3 ALA 11 HB3 ALA 11 -3.699 32.785 4.698 72 H THR 12 H THR 12 -3.432 28.512 5.754 73 HA THR 12 HA THR 12 -0.788 28.715 4.445 74 HB THR 12 HB THR 12 -1.380 27.496 7.181 75 HG1 THR 12 HG1 THR 12 -0.997 30.090 6.468 76 HG21 THR 12 HG21 THR 12 1.270 28.135 5.837 77 HG22 THR 12 HG22 THR 12 0.612 26.517 6.099 78 HG23 THR 12 HG23 THR 12 1.073 27.520 7.477 79 H ASP 13 H ASP 13 -0.525 27.131 3.016 80 HA ASP 13 HA ASP 13 -2.344 24.914 2.758 81 HB2 ASP 13 HB2 ASP 13 0.149 25.634 1.155 82 HB3 ASP 13 HB3 ASP 13 -1.017 24.390 0.708 83 H THR 14 H THR 14 0.938 25.345 3.929 84 HA THR 14 HA THR 14 1.274 22.424 4.370 85 HB THR 14 HB THR 14 3.566 24.429 4.438 86 HG1 THR 14 HG1 THR 14 3.802 24.024 2.129 87 HG21 THR 14 HG21 THR 14 3.452 21.526 3.509 88 HG22 THR 14 HG22 THR 14 4.054 22.073 5.076 89 HG23 THR 14 HG23 THR 14 4.902 22.527 3.596 90 H GLY 15 H GLY 15 3.282 22.582 6.411 91 HA2 GLY 15 HA2 GLY 15 3.769 23.146 8.592 92 HA3 GLY 15 HA3 GLY 15 2.657 24.497 8.454 93 H LYS 16 H LYS 16 0.423 24.179 8.877 94 HA LYS 16 HA LYS 16 -0.342 22.417 10.930 95 HB2 LYS 16 HB2 LYS 16 -2.127 23.792 8.869 96 HB3 LYS 16 HB3 LYS 16 -2.692 23.073 10.376 97 HG2 LYS 16 HG2 LYS 16 -0.849 25.468 10.101 98 HG3 LYS 16 HG3 LYS 16 -2.555 25.503 10.560 99 HD2 LYS 16 HD2 LYS 16 -1.985 24.156 12.601 100 HD3 LYS 16 HD3 LYS 16 -0.280 24.237 12.138 101 HE2 LYS 16 HE2 LYS 16 -2.057 26.601 12.820 102 HE3 LYS 16 HE3 LYS 16 -0.795 25.919 13.844 103 HZ1 LYS 16 HZ1 LYS 16 0.840 26.540 12.142 104 HZ2 LYS 16 HZ2 LYS 16 -0.002 27.886 12.721 105 HZ3 LYS 16 HZ3 LYS 16 -0.384 27.242 11.209 106 H ARG 17 H ARG 17 -0.863 22.302 7.421 107 HA ARG 17 HA ARG 17 -2.329 19.915 7.245 108 HB2 ARG 17 HB2 ARG 17 -1.993 21.664 5.417 109 HB3 ARG 17 HB3 ARG 17 -0.397 20.986 5.159 110 HG2 ARG 17 HG2 ARG 17 -1.546 19.839 3.513 111 HG3 ARG 17 HG3 ARG 17 -1.775 18.707 4.847 112 HD2 ARG 17 HD2 ARG 17 -3.752 20.753 3.789 113 HD3 ARG 17 HD3 ARG 17 -3.899 19.001 3.750 114 HE ARG 17 HE ARG 17 -4.112 19.103 6.233 115 HH11 ARG 17 HH11 ARG 17 -4.929 21.963 4.341 116 HH12 ARG 17 HH12 ARG 17 -6.020 22.584 5.531 117 HH21 ARG 17 HH21 ARG 17 -5.574 19.950 7.776 118 HH22 ARG 17 HH22 ARG 17 -6.383 21.448 7.467 119 H GLU 18 H GLU 18 1.146 20.577 7.055 120 HA GLU 18 HA GLU 18 2.097 18.043 6.318 121 HB2 GLU 18 HB2 GLU 18 3.343 20.252 6.218 122 HB3 GLU 18 HB3 GLU 18 3.562 20.162 7.957 123 HG2 GLU 18 HG2 GLU 18 4.610 18.023 6.084 124 HG3 GLU 18 HG3 GLU 18 5.532 19.473 6.440 125 H LYS 19 H LYS 19 1.591 19.515 9.503 126 HA LYS 19 HA LYS 19 2.647 17.560 11.186 127 HB2 LYS 19 HB2 LYS 19 2.007 19.890 11.815 128 HB3 LYS 19 HB3 LYS 19 0.313 19.474 11.662 129 HG2 LYS 19 HG2 LYS 19 2.102 18.085 13.684 130 HG3 LYS 19 HG3 LYS 19 1.373 19.650 14.036 131 HD2 LYS 19 HD2 LYS 19 -0.095 17.047 13.447 132 HD3 LYS 19 HD3 LYS 19 0.039 17.856 15.009 133 HE2 LYS 19 HE2 LYS 19 -1.394 18.972 12.569 134 HE3 LYS 19 HE3 LYS 19 -2.169 18.211 13.957 135 HZ1 LYS 19 HZ1 LYS 19 -1.414 19.976 15.369 136 HZ2 LYS 19 HZ2 LYS 19 -2.204 20.656 14.039 137 HZ3 LYS 19 HZ3 LYS 19 -0.517 20.676 14.117 138 H GLN 20 H GLN 20 -0.641 17.862 9.830 139 HA GLN 20 HA GLN 20 -1.768 15.564 11.158 140 HB2 GLN 20 HB2 GLN 20 -2.789 16.913 8.625 141 HB3 GLN 20 HB3 GLN 20 -3.722 15.950 9.776 142 HG2 GLN 20 HG2 GLN 20 -3.517 17.696 11.462 143 HG3 GLN 20 HG3 GLN 20 -2.443 18.624 10.413 144 HE21 GLN 20 HE21 GLN 20 -4.985 19.452 11.563 145 HE22 GLN 20 HE22 GLN 20 -5.997 19.873 10.229 146 H LEU 21 H LEU 21 -0.156 16.205 8.161 147 HA LEU 21 HA LEU 21 -1.059 14.035 6.587 148 HB2 LEU 21 HB2 LEU 21 0.127 16.385 6.033 149 HB3 LEU 21 HB3 LEU 21 1.580 15.424 6.093 150 HG LEU 21 HG LEU 21 0.796 15.781 3.792 151 HD11 LEU 21 HD11 LEU 21 0.502 12.876 4.528 152 HD12 LEU 21 HD12 LEU 21 2.034 13.729 4.326 153 HD13 LEU 21 HD13 LEU 21 0.942 13.555 2.958 154 HD21 LEU 21 HD21 LEU 21 -1.606 15.979 4.209 155 HD22 LEU 21 HD22 LEU 21 -1.701 14.254 4.575 156 HD23 LEU 21 HD23 LEU 21 -1.271 14.793 2.949 157 H GLN 22 H GLN 22 1.646 14.514 8.788 158 HA GLN 22 HA GLN 22 3.332 12.370 8.258 159 HB2 GLN 22 HB2 GLN 22 2.599 13.410 11.030 160 HB3 GLN 22 HB3 GLN 22 4.087 12.568 10.593 161 HG2 GLN 22 HG2 GLN 22 4.889 14.445 9.349 162 HG3 GLN 22 HG3 GLN 22 3.313 15.223 9.380 163 HE21 GLN 22 HE21 GLN 22 5.703 16.454 10.152 164 HE22 GLN 22 HE22 GLN 22 5.584 16.854 11.822 165 H GLN 23 H GLN 23 0.362 12.487 10.198 166 HA GLN 23 HA GLN 23 0.430 9.916 11.353 167 HB2 GLN 23 HB2 GLN 23 -2.043 11.546 10.634 168 HB3 GLN 23 HB3 GLN 23 -1.979 10.214 11.789 169 HG2 GLN 23 HG2 GLN 23 -0.498 11.546 13.233 170 HG3 GLN 23 HG3 GLN 23 -0.562 12.878 12.076 171 HE21 GLN 23 HE21 GLN 23 -1.498 14.314 13.529 172 HE22 GLN 23 HE22 GLN 23 -3.125 14.157 14.087 173 H TRP 24 H TRP 24 -1.214 11.138 8.434 174 HA TRP 24 HA TRP 24 -2.465 8.720 7.684 175 HB2 TRP 24 HB2 TRP 24 -3.185 10.990 6.899 176 HB3 TRP 24 HB3 TRP 24 -1.730 11.095 5.912 177 HD1 TRP 24 HD1 TRP 24 -3.507 7.713 5.840 178 HE1 TRP 24 HE1 TRP 24 -4.674 7.415 3.573 179 HE3 TRP 24 HE3 TRP 24 -3.044 12.484 4.055 180 HZ2 TRP 24 HZ2 TRP 24 -5.350 8.980 1.346 181 HZ3 TRP 24 HZ3 TRP 24 -4.006 13.007 1.851 182 HH2 TRP 24 HH2 TRP 24 -5.134 11.290 0.522 183 H LYS 25 H LYS 25 0.677 10.175 6.804 184 HA LYS 25 HA LYS 25 1.577 8.292 4.948 185 HB2 LYS 25 HB2 LYS 25 3.103 9.927 7.003 186 HB3 LYS 25 HB3 LYS 25 3.924 8.868 5.859 187 HG2 LYS 25 HG2 LYS 25 2.985 10.176 3.984 188 HG3 LYS 25 HG3 LYS 25 2.193 11.255 5.144 189 HD2 LYS 25 HD2 LYS 25 4.404 11.908 6.054 190 HD3 LYS 25 HD3 LYS 25 5.207 10.812 4.926 191 HE2 LYS 25 HE2 LYS 25 4.409 12.160 3.036 192 HE3 LYS 25 HE3 LYS 25 3.536 13.218 4.138 193 HZ1 LYS 25 HZ1 LYS 25 5.577 14.242 3.516 194 HZ2 LYS 25 HZ2 LYS 25 6.474 12.883 3.971 195 HZ3 LYS 25 HZ3 LYS 25 5.680 13.803 5.144 196 H ASN 26 H ASN 26 1.886 8.296 8.516 197 HA ASN 26 HA ASN 26 3.301 5.905 8.856 198 HB2 ASN 26 HB2 ASN 26 1.216 7.089 10.740 199 HB3 ASN 26 HB3 ASN 26 2.411 5.871 11.178 200 HD21 ASN 26 HD21 ASN 26 1.950 8.545 12.269 201 HD22 ASN 26 HD22 ASN 26 3.444 9.396 12.102 202 H ASN 27 H ASN 27 -0.227 6.481 8.776 203 HA ASN 27 HA ASN 27 -1.146 3.862 9.198 204 HB2 ASN 27 HB2 ASN 27 -2.390 6.192 7.679 205 HB3 ASN 27 HB3 ASN 27 -3.233 4.661 7.898 206 HD21 ASN 27 HD21 ASN 27 -3.757 3.994 10.074 207 HD22 ASN 27 HD22 ASN 27 -4.001 5.193 11.294 208 H LEU 28 H LEU 28 -0.326 5.565 6.192 209 HA LEU 28 HA LEU 28 -1.159 3.551 4.399 210 HB2 LEU 28 HB2 LEU 28 0.754 5.881 4.083 211 HB3 LEU 28 HB3 LEU 28 0.346 4.814 2.751 212 HG LEU 28 HG LEU 28 -1.641 6.553 4.265 213 HD11 LEU 28 HD11 LEU 28 -0.140 7.917 2.903 214 HD12 LEU 28 HD12 LEU 28 -1.772 7.911 2.240 215 HD13 LEU 28 HD13 LEU 28 -0.509 6.936 1.480 216 HD21 LEU 28 HD21 LEU 28 -3.248 5.919 2.529 217 HD22 LEU 28 HD22 LEU 28 -2.690 4.512 3.427 218 HD23 LEU 28 HD23 LEU 28 -2.058 4.826 1.809 219 H LYS 29 H LYS 29 2.167 4.406 5.517 220 HA LYS 29 HA LYS 29 3.478 2.310 4.182 221 HB2 LYS 29 HB2 LYS 29 4.322 4.073 6.484 222 HB3 LYS 29 HB3 LYS 29 5.325 2.714 6.022 223 HG2 LYS 29 HG2 LYS 29 6.363 4.168 4.644 224 HG3 LYS 29 HG3 LYS 29 4.985 3.912 3.582 225 HD2 LYS 29 HD2 LYS 29 5.487 6.288 3.815 226 HD3 LYS 29 HD3 LYS 29 3.896 5.920 4.488 227 HE2 LYS 29 HE2 LYS 29 5.139 7.483 5.926 228 HE3 LYS 29 HE3 LYS 29 4.837 5.966 6.767 229 HZ1 LYS 29 HZ1 LYS 29 7.070 6.724 7.159 230 HZ2 LYS 29 HZ2 LYS 29 7.382 6.809 5.502 231 HZ3 LYS 29 HZ3 LYS 29 7.125 5.306 6.235 232 H ASN 30 H ASN 30 1.956 2.404 7.388 233 HA ASN 30 HA ASN 30 2.975 -0.017 8.410 234 HB2 ASN 30 HB2 ASN 30 0.457 1.560 8.988 235 HB3 ASN 30 HB3 ASN 30 0.679 -0.019 9.733 236 HD21 ASN 30 HD21 ASN 30 0.566 2.693 10.932 237 HD22 ASN 30 HD22 ASN 30 2.014 2.834 11.858 238 H ASP 31 H ASP 31 -0.058 0.639 6.605 239 HA ASP 31 HA ASP 31 -0.896 -2.045 6.339 240 HB2 ASP 31 HB2 ASP 31 -1.506 0.423 4.682 241 HB3 ASP 31 HB3 ASP 31 -2.167 -1.148 4.259 242 H VAL 32 H VAL 32 1.033 -0.003 4.136 243 HA VAL 32 HA VAL 32 1.415 -1.714 1.977 244 HB VAL 32 HB VAL 32 3.285 0.424 3.110 245 HG11 VAL 32 HG11 VAL 32 4.458 0.446 0.927 246 HG12 VAL 32 HG12 VAL 32 3.511 -0.951 0.406 247 HG13 VAL 32 HG13 VAL 32 4.650 -1.105 1.745 248 HG21 VAL 32 HG21 VAL 32 2.411 1.848 1.303 249 HG22 VAL 32 HG22 VAL 32 1.088 1.245 2.305 250 HG23 VAL 32 HG23 VAL 32 1.397 0.522 0.728 251 H ASP 33 H ASP 33 3.145 -1.526 5.032 252 HA ASP 33 HA ASP 33 5.234 -3.381 4.347 253 HB2 ASP 33 HB2 ASP 33 5.501 -1.488 5.981 254 HB3 ASP 33 HB3 ASP 33 4.404 -2.320 7.082 255 H ASN 34 H ASN 34 2.169 -3.523 6.159 256 HA ASN 34 HA ASN 34 2.533 -6.160 7.246 257 HB2 ASN 34 HB2 ASN 34 -0.009 -4.509 6.931 258 HB3 ASN 34 HB3 ASN 34 0.089 -6.015 7.835 259 HD21 ASN 34 HD21 ASN 34 -0.708 -3.383 8.745 260 HD22 ASN 34 HD22 ASN 34 0.341 -2.980 10.056 261 H THR 35 H THR 35 1.234 -4.938 4.230 262 HA THR 35 HA THR 35 -0.494 -7.126 3.599 263 HB THR 35 HB THR 35 -0.418 -6.067 1.246 264 HG1 THR 35 HG1 THR 35 0.811 -3.865 2.513 265 HG21 THR 35 HG21 THR 35 -1.223 -4.279 3.569 266 HG22 THR 35 HG22 THR 35 -2.230 -5.523 2.823 267 HG23 THR 35 HG23 THR 35 -1.753 -4.099 1.895 268 H ILE 36 H ILE 36 -0.192 -8.379 1.484 269 HA ILE 36 HA ILE 36 2.350 -9.820 1.678 270 HB ILE 36 HB ILE 36 1.322 -11.547 0.265 271 HG12 ILE 36 HG12 ILE 36 -1.233 -9.865 0.180 272 HG13 ILE 36 HG13 ILE 36 -0.099 -9.988 -1.161 273 HG21 ILE 36 HG21 ILE 36 -0.426 -12.324 1.797 274 HG22 ILE 36 HG22 ILE 36 -0.573 -10.705 2.485 275 HG23 ILE 36 HG23 ILE 36 0.920 -11.625 2.700 276 HD11 ILE 36 HD11 ILE 36 -1.655 -12.282 0.040 277 HD12 ILE 36 HD12 ILE 36 -0.522 -12.397 -1.311 278 HD13 ILE 36 HD13 ILE 36 -2.004 -11.457 -1.475 279 H LEU 37 H LEU 37 2.232 -7.120 0.353 280 HA LEU 37 HA LEU 37 2.501 -7.364 -2.465 281 HB2 LEU 37 HB2 LEU 37 3.843 -5.247 -0.749 282 HB3 LEU 37 HB3 LEU 37 3.431 -5.127 -2.448 283 HG LEU 37 HG LEU 37 1.516 -5.081 -0.097 284 HD11 LEU 37 HD11 LEU 37 1.043 -2.781 -0.823 285 HD12 LEU 37 HD12 LEU 37 2.263 -2.926 -2.093 286 HD13 LEU 37 HD13 LEU 37 2.740 -2.998 -0.394 287 HD21 LEU 37 HD21 LEU 37 0.835 -4.977 -3.049 288 HD22 LEU 37 HD22 LEU 37 -0.288 -4.670 -1.718 289 HD23 LEU 37 HD23 LEU 37 0.425 -6.267 -1.912 290 H SER 38 H SER 38 4.456 -7.257 -3.746 291 HA SER 38 HA SER 38 6.735 -8.720 -2.904 292 HB2 SER 38 HB2 SER 38 6.154 -8.510 -5.296 293 HB3 SER 38 HB3 SER 38 6.396 -6.765 -5.228 294 HG SER 38 HG SER 38 8.314 -8.834 -5.110 295 H HIS 39 H HIS 39 8.933 -7.905 -2.541 296 HA HIS 39 HA HIS 39 9.174 -5.783 -0.722 297 HB2 HIS 39 HB2 HIS 39 10.834 -7.601 -0.866 298 HB3 HIS 39 HB3 HIS 39 11.316 -7.072 -2.473 299 HD1 HIS 39 HD1 HIS 39 11.666 -6.199 1.160 300 HD2 HIS 39 HD2 HIS 39 13.080 -4.872 -2.515 301 HE1 HIS 39 HE1 HIS 39 13.562 -4.646 1.689 302 HE2 HIS 39 HE2 HIS 39 14.498 -3.979 -0.554 303 H GLU 40 H GLU 40 9.560 -5.906 -4.218 304 HA GLU 40 HA GLU 40 10.635 -3.316 -4.640 305 HB2 GLU 40 HB2 GLU 40 8.960 -5.054 -6.510 306 HB3 GLU 40 HB3 GLU 40 9.946 -3.676 -7.003 307 HG2 GLU 40 HG2 GLU 40 11.005 -6.230 -5.744 308 HG3 GLU 40 HG3 GLU 40 11.020 -5.866 -7.463 309 H GLN 41 H GLN 41 7.295 -4.581 -4.624 310 HA GLN 41 HA GLN 41 5.913 -2.226 -5.332 311 HB2 GLN 41 HB2 GLN 41 5.009 -4.545 -3.572 312 HB3 GLN 41 HB3 GLN 41 3.930 -3.307 -4.205 313 HG2 GLN 41 HG2 GLN 41 5.569 -5.024 -6.075 314 HG3 GLN 41 HG3 GLN 41 4.070 -5.624 -5.379 315 HE21 GLN 41 HE21 GLN 41 4.477 -2.216 -6.361 316 HE22 GLN 41 HE22 GLN 41 3.374 -2.317 -7.678 317 H LYS 42 H LYS 42 6.702 -3.613 -2.138 318 HA LYS 42 HA LYS 42 5.414 -1.730 -0.533 319 HB2 LYS 42 HB2 LYS 42 7.800 -3.510 0.085 320 HB3 LYS 42 HB3 LYS 42 6.961 -2.543 1.302 321 HG2 LYS 42 HG2 LYS 42 4.858 -3.774 0.759 322 HG3 LYS 42 HG3 LYS 42 5.788 -4.805 -0.337 323 HD2 LYS 42 HD2 LYS 42 7.165 -5.599 1.545 324 HD3 LYS 42 HD3 LYS 42 6.318 -4.512 2.651 325 HE2 LYS 42 HE2 LYS 42 4.218 -5.735 2.226 326 HE3 LYS 42 HE3 LYS 42 5.074 -6.826 1.139 327 HZ1 LYS 42 HZ1 LYS 42 5.650 -6.483 4.025 328 HZ2 LYS 42 HZ2 LYS 42 6.410 -7.573 2.980 329 HZ3 LYS 42 HZ3 LYS 42 4.770 -7.756 3.346 330 H ASN 43 H ASN 43 8.843 -1.981 -1.402 331 HA ASN 43 HA ASN 43 9.788 0.277 -0.085 332 HB2 ASN 43 HB2 ASN 43 10.782 -1.277 -2.486 333 HB3 ASN 43 HB3 ASN 43 11.649 0.149 -1.942 334 HD21 ASN 43 HD21 ASN 43 13.465 -1.025 -1.419 335 HD22 ASN 43 HD22 ASN 43 13.538 -2.086 -0.062 336 H GLU 44 H GLU 44 8.414 -0.009 -3.389 337 HA GLU 44 HA GLU 44 8.931 2.651 -4.193 338 HB2 GLU 44 HB2 GLU 44 6.885 0.635 -5.132 339 HB3 GLU 44 HB3 GLU 44 6.871 2.279 -5.766 340 HG2 GLU 44 HG2 GLU 44 8.959 0.138 -6.135 341 HG3 GLU 44 HG3 GLU 44 8.055 1.046 -7.343 342 H PHE 45 H PHE 45 5.963 1.187 -2.797 343 HA PHE 45 HA PHE 45 4.448 3.543 -2.866 344 HB2 PHE 45 HB2 PHE 45 4.136 1.041 -1.174 345 HB3 PHE 45 HB3 PHE 45 2.984 2.373 -1.107 346 HD1 PHE 45 HD1 PHE 45 2.250 3.195 -3.621 347 HD2 PHE 45 HD2 PHE 45 3.477 -0.769 -2.552 348 HE1 PHE 45 HE1 PHE 45 1.048 2.290 -5.559 349 HE2 PHE 45 HE2 PHE 45 2.277 -1.660 -4.500 350 HZ PHE 45 HZ PHE 45 1.059 -0.137 -6.007 351 H LYS 46 H LYS 46 6.441 2.173 -0.239 352 HA LYS 46 HA LYS 46 5.967 4.043 1.773 353 HB2 LYS 46 HB2 LYS 46 8.567 2.600 1.112 354 HB3 LYS 46 HB3 LYS 46 8.250 3.454 2.622 355 HG2 LYS 46 HG2 LYS 46 6.418 1.874 3.128 356 HG3 LYS 46 HG3 LYS 46 6.751 1.012 1.620 357 HD2 LYS 46 HD2 LYS 46 9.103 0.599 2.468 358 HD3 LYS 46 HD3 LYS 46 8.611 1.300 4.012 359 HE2 LYS 46 HE2 LYS 46 6.802 -0.491 4.089 360 HE3 LYS 46 HE3 LYS 46 7.610 -1.254 2.721 361 HZ1 LYS 46 HZ1 LYS 46 9.618 -1.413 4.070 362 HZ2 LYS 46 HZ2 LYS 46 8.327 -2.219 4.806 363 HZ3 LYS 46 HZ3 LYS 46 8.819 -0.708 5.381 364 H THR 47 H THR 47 8.443 4.088 -0.796 365 HA THR 47 HA THR 47 9.725 6.501 -0.164 366 HB THR 47 HB THR 47 9.461 5.008 -2.812 367 HG1 THR 47 HG1 THR 47 10.924 3.808 -1.928 368 HG21 THR 47 HG21 THR 47 11.369 7.285 -2.139 369 HG22 THR 47 HG22 THR 47 10.057 7.344 -3.320 370 HG23 THR 47 HG23 THR 47 11.435 6.278 -3.589 371 H LYS 48 H LYS 48 7.067 5.837 -2.434 372 HA LYS 48 HA LYS 48 6.851 8.422 -3.539 373 HB2 LYS 48 HB2 LYS 48 4.824 6.155 -3.429 374 HB3 LYS 48 HB3 LYS 48 4.670 7.583 -4.451 375 HG2 LYS 48 HG2 LYS 48 6.649 6.936 -5.730 376 HG3 LYS 48 HG3 LYS 48 6.946 5.568 -4.652 377 HD2 LYS 48 HD2 LYS 48 4.800 4.552 -5.378 378 HD3 LYS 48 HD3 LYS 48 4.532 5.912 -6.474 379 HE2 LYS 48 HE2 LYS 48 6.778 3.870 -6.625 380 HE3 LYS 48 HE3 LYS 48 5.398 3.996 -7.717 381 HZ1 LYS 48 HZ1 LYS 48 6.222 6.180 -8.411 382 HZ2 LYS 48 HZ2 LYS 48 7.356 4.962 -8.705 383 HZ3 LYS 48 HZ3 LYS 48 7.564 6.007 -7.393 384 H ILE 49 H ILE 49 5.215 6.820 -0.844 385 HA ILE 49 HA ILE 49 3.215 8.778 -0.354 386 HB ILE 49 HB ILE 49 4.312 6.491 1.321 387 HG12 ILE 49 HG12 ILE 49 1.540 6.792 0.086 388 HG13 ILE 49 HG13 ILE 49 2.887 6.068 -0.778 389 HG21 ILE 49 HG21 ILE 49 2.429 6.789 2.912 390 HG22 ILE 49 HG22 ILE 49 1.985 8.288 2.092 391 HG23 ILE 49 HG23 ILE 49 3.530 8.168 2.937 392 HD11 ILE 49 HD11 ILE 49 1.718 5.019 1.797 393 HD12 ILE 49 HD12 ILE 49 3.013 4.277 0.858 394 HD13 ILE 49 HD13 ILE 49 1.390 4.401 0.181 395 H ASP 50 H ASP 50 6.464 8.218 1.028 396 HA ASP 50 HA ASP 50 6.334 10.340 2.941 397 HB2 ASP 50 HB2 ASP 50 8.648 8.726 1.820 398 HB3 ASP 50 HB3 ASP 50 8.929 10.067 2.928 399 H GLU 51 H GLU 51 7.344 10.208 -0.439 400 HA GLU 51 HA GLU 51 8.476 12.863 -0.472 401 HB2 GLU 51 HB2 GLU 51 7.687 11.023 -2.766 402 HB3 GLU 51 HB3 GLU 51 8.529 12.559 -2.968 403 HG2 GLU 51 HG2 GLU 51 9.579 10.088 -1.542 404 HG3 GLU 51 HG3 GLU 51 10.107 10.705 -3.102 405 H THR 52 H THR 52 5.277 11.572 -0.740 406 HA THR 52 HA THR 52 4.222 14.023 -2.013 407 HB THR 52 HB THR 52 2.881 11.332 -1.525 408 HG1 THR 52 HG1 THR 52 4.524 11.347 -3.137 409 HG21 THR 52 HG21 THR 52 1.225 13.180 -1.560 410 HG22 THR 52 HG22 THR 52 1.092 12.168 -2.999 411 HG23 THR 52 HG23 THR 52 1.893 13.736 -3.100 412 H ASN 53 H ASN 53 3.407 15.546 -0.746 413 HA ASN 53 HA ASN 53 2.046 14.854 1.804 414 HB2 ASN 53 HB2 ASN 53 3.304 17.501 0.958 415 HB3 ASN 53 HB3 ASN 53 2.420 17.244 2.459 416 HD21 ASN 53 HD21 ASN 53 5.332 16.475 0.685 417 HD22 ASN 53 HD22 ASN 53 6.256 15.947 2.044 418 H ASP 54 H ASP 54 1.316 15.211 -1.274 419 HA ASP 54 HA ASP 54 -0.998 17.000 -1.092 420 HB2 ASP 54 HB2 ASP 54 0.387 17.041 -3.152 421 HB3 ASP 54 HB3 ASP 54 0.107 15.321 -3.399 422 H SER 55 H SER 55 -3.063 16.277 -0.812 423 HA SER 55 HA SER 55 -3.524 13.707 0.241 424 HB2 SER 55 HB2 SER 55 -5.503 15.827 -0.670 425 HB3 SER 55 HB3 SER 55 -5.926 14.404 0.290 426 HG SER 55 HG SER 55 -4.640 15.162 1.935 427 H ASP 56 H ASP 56 -4.336 15.072 -2.963 428 HA ASP 56 HA ASP 56 -6.040 12.981 -3.836 429 HB2 ASP 56 HB2 ASP 56 -4.419 14.992 -5.463 430 HB3 ASP 56 HB3 ASP 56 -5.674 13.955 -6.136 431 H ALA 57 H ALA 57 -2.567 13.515 -4.174 432 HA ALA 57 HA ALA 57 -2.057 11.319 -5.948 433 HB1 ALA 57 HB1 ALA 57 0.331 11.863 -5.531 434 HB2 ALA 57 HB2 ALA 57 -0.161 13.000 -4.274 435 HB3 ALA 57 HB3 ALA 57 -0.615 13.296 -5.950 436 H LEU 58 H LEU 58 -1.871 11.815 -2.417 437 HA LEU 58 HA LEU 58 -0.801 9.250 -1.766 438 HB2 LEU 58 HB2 LEU 58 -2.379 11.272 -0.164 439 HB3 LEU 58 HB3 LEU 58 -1.842 9.752 0.536 440 HG LEU 58 HG LEU 58 -0.005 11.903 -0.574 441 HD11 LEU 58 HD11 LEU 58 0.581 12.322 1.754 442 HD12 LEU 58 HD12 LEU 58 -0.620 11.139 2.282 443 HD13 LEU 58 HD13 LEU 58 -1.132 12.618 1.463 444 HD21 LEU 58 HD21 LEU 58 0.655 9.332 0.904 445 HD22 LEU 58 HD22 LEU 58 1.809 10.586 0.437 446 HD23 LEU 58 HD23 LEU 58 0.970 9.659 -0.803 447 H LEU 59 H LEU 59 -4.086 10.442 -2.300 448 HA LEU 59 HA LEU 59 -5.548 8.195 -1.406 449 HB2 LEU 59 HB2 LEU 59 -6.158 10.257 -3.548 450 HB3 LEU 59 HB3 LEU 59 -7.300 8.996 -3.112 451 HG LEU 59 HG LEU 59 -6.281 11.152 -1.227 452 HD11 LEU 59 HD11 LEU 59 -7.709 12.102 -2.951 453 HD12 LEU 59 HD12 LEU 59 -8.523 12.112 -1.390 454 HD13 LEU 59 HD13 LEU 59 -8.964 10.907 -2.603 455 HD21 LEU 59 HD21 LEU 59 -6.834 9.101 -0.015 456 HD22 LEU 59 HD22 LEU 59 -8.416 9.035 -0.798 457 HD23 LEU 59 HD23 LEU 59 -8.028 10.352 0.311 458 H GLU 60 H GLU 60 -3.924 8.968 -4.450 459 HA GLU 60 HA GLU 60 -4.818 6.719 -5.941 460 HB2 GLU 60 HB2 GLU 60 -3.873 8.749 -7.011 461 HB3 GLU 60 HB3 GLU 60 -2.300 8.385 -6.306 462 HG2 GLU 60 HG2 GLU 60 -2.219 6.265 -7.601 463 HG3 GLU 60 HG3 GLU 60 -3.778 6.660 -8.322 464 H LEU 61 H LEU 61 -1.794 7.392 -4.151 465 HA LEU 61 HA LEU 61 -0.490 4.936 -4.561 466 HB2 LEU 61 HB2 LEU 61 -0.315 6.893 -2.236 467 HB3 LEU 61 HB3 LEU 61 0.836 5.589 -2.514 468 HG LEU 61 HG LEU 61 0.330 7.846 -4.496 469 HD11 LEU 61 HD11 LEU 61 2.597 7.599 -2.511 470 HD12 LEU 61 HD12 LEU 61 1.280 8.774 -2.453 471 HD13 LEU 61 HD13 LEU 61 2.439 8.821 -3.778 472 HD21 LEU 61 HD21 LEU 61 2.404 7.063 -5.553 473 HD22 LEU 61 HD22 LEU 61 1.169 5.809 -5.541 474 HD23 LEU 61 HD23 LEU 61 2.506 5.737 -4.389 475 H GLU 62 H GLU 62 -2.792 5.946 -2.115 476 HA GLU 62 HA GLU 62 -2.845 3.675 -0.458 477 HB2 GLU 62 HB2 GLU 62 -3.784 5.851 0.193 478 HB3 GLU 62 HB3 GLU 62 -4.994 5.737 -1.077 479 HG2 GLU 62 HG2 GLU 62 -6.057 3.842 0.067 480 HG3 GLU 62 HG3 GLU 62 -4.810 3.871 1.316 481 H ASN 63 H ASN 63 -4.867 4.665 -3.174 482 HA ASN 63 HA ASN 63 -6.608 2.465 -3.310 483 HB2 ASN 63 HB2 ASN 63 -7.079 4.638 -4.368 484 HB3 ASN 63 HB3 ASN 63 -5.723 4.431 -5.467 485 HD21 ASN 63 HD21 ASN 63 -6.940 4.554 -7.331 486 HD22 ASN 63 HD22 ASN 63 -8.098 3.357 -7.797 487 H GLN 64 H GLN 64 -3.401 3.028 -4.680 488 HA GLN 64 HA GLN 64 -3.462 0.943 -6.622 489 HB2 GLN 64 HB2 GLN 64 -1.191 2.606 -5.491 490 HB3 GLN 64 HB3 GLN 64 -0.912 1.337 -6.681 491 HG2 GLN 64 HG2 GLN 64 -2.344 2.509 -8.289 492 HG3 GLN 64 HG3 GLN 64 -2.664 3.776 -7.106 493 HE21 GLN 64 HE21 GLN 64 -0.951 5.210 -6.543 494 HE22 GLN 64 HE22 GLN 64 0.426 5.416 -7.562 495 H PHE 65 H PHE 65 -1.956 1.183 -3.333 496 HA PHE 65 HA PHE 65 -0.866 -1.480 -3.583 497 HB2 PHE 65 HB2 PHE 65 0.203 -1.192 -1.528 498 HB3 PHE 65 HB3 PHE 65 0.151 0.433 -2.176 499 HD1 PHE 65 HD1 PHE 65 -1.001 2.203 -0.965 500 HD2 PHE 65 HD2 PHE 65 -1.292 -1.849 0.379 501 HE1 PHE 65 HE1 PHE 65 -1.950 2.967 1.169 502 HE2 PHE 65 HE2 PHE 65 -2.246 -1.070 2.483 503 HZ PHE 65 HZ PHE 65 -2.574 1.334 2.891 504 H ASN 66 H ASN 66 -3.791 -0.089 -2.171 505 HA ASN 66 HA ASN 66 -4.719 -2.429 -0.823 506 HB2 ASN 66 HB2 ASN 66 -6.226 -0.015 -1.928 507 HB3 ASN 66 HB3 ASN 66 -7.017 -1.305 -1.021 508 HD21 ASN 66 HD21 ASN 66 -6.732 1.541 -0.398 509 HD22 ASN 66 HD22 ASN 66 -5.983 1.615 1.154 510 H GLU 67 H GLU 67 -5.090 -1.198 -4.127 511 HA GLU 67 HA GLU 67 -6.887 -3.177 -5.075 512 HB2 GLU 67 HB2 GLU 67 -6.426 -0.981 -6.235 513 HB3 GLU 67 HB3 GLU 67 -4.847 -1.598 -6.693 514 HG2 GLU 67 HG2 GLU 67 -6.329 -1.808 -8.585 515 HG3 GLU 67 HG3 GLU 67 -5.965 -3.427 -7.985 516 H THR 68 H THR 68 -3.346 -2.850 -5.248 517 HA THR 68 HA THR 68 -2.752 -5.188 -6.676 518 HB THR 68 HB THR 68 -1.020 -3.639 -4.693 519 HG1 THR 68 HG1 THR 68 -1.900 -2.610 -6.701 520 HG21 THR 68 HG21 THR 68 0.933 -4.645 -5.862 521 HG22 THR 68 HG22 THR 68 -0.164 -5.648 -6.814 522 HG23 THR 68 HG23 THR 68 -0.045 -5.880 -5.068 523 H ASN 69 H ASN 69 -3.084 -4.539 -3.200 524 HA ASN 69 HA ASN 69 -2.205 -7.021 -2.201 525 HB2 ASN 69 HB2 ASN 69 -2.415 -5.065 -0.741 526 HB3 ASN 69 HB3 ASN 69 -4.154 -5.009 -1.003 527 HD21 ASN 69 HD21 ASN 69 -1.615 -7.187 0.193 528 HD22 ASN 69 HD22 ASN 69 -2.560 -7.871 1.462 529 H ARG 70 H ARG 70 -5.513 -5.866 -3.002 530 HA ARG 70 HA ARG 70 -6.921 -8.227 -2.417 531 HB2 ARG 70 HB2 ARG 70 -7.509 -5.989 -4.392 532 HB3 ARG 70 HB3 ARG 70 -8.613 -7.342 -4.154 533 HG2 ARG 70 HG2 ARG 70 -8.780 -6.748 -1.758 534 HG3 ARG 70 HG3 ARG 70 -7.763 -5.332 -2.053 535 HD2 ARG 70 HD2 ARG 70 -10.485 -5.901 -3.268 536 HD3 ARG 70 HD3 ARG 70 -10.143 -4.728 -1.998 537 HE ARG 70 HE ARG 70 -9.450 -4.510 -4.852 538 HH11 ARG 70 HH11 ARG 70 -9.510 -3.007 -1.658 539 HH12 ARG 70 HH12 ARG 70 -9.226 -1.412 -2.276 540 HH21 ARG 70 HH21 ARG 70 -9.130 -2.415 -5.639 541 HH22 ARG 70 HH22 ARG 70 -9.014 -1.081 -4.543 542 H LEU 71 H LEU 71 -5.456 -7.123 -5.480 543 HA LEU 71 HA LEU 71 -6.210 -9.233 -7.150 544 HB2 LEU 71 HB2 LEU 71 -3.734 -7.472 -7.240 545 HB3 LEU 71 HB3 LEU 71 -4.205 -8.555 -8.544 546 HG LEU 71 HG LEU 71 -5.872 -6.200 -7.571 547 HD11 LEU 71 HD11 LEU 71 -5.201 -5.057 -9.619 548 HD12 LEU 71 HD12 LEU 71 -4.133 -6.399 -10.042 549 HD13 LEU 71 HD13 LEU 71 -3.804 -5.421 -8.607 550 HD21 LEU 71 HD21 LEU 71 -6.240 -7.998 -9.989 551 HD22 LEU 71 HD22 LEU 71 -7.202 -6.567 -9.603 552 HD23 LEU 71 HD23 LEU 71 -7.251 -7.969 -8.540 553 H LEU 72 H LEU 72 -3.433 -8.913 -4.961 554 HA LEU 72 HA LEU 72 -2.095 -11.318 -5.719 555 HB2 LEU 72 HB2 LEU 72 -1.939 -9.623 -3.217 556 HB3 LEU 72 HB3 LEU 72 -0.897 -11.008 -3.504 557 HG LEU 72 HG LEU 72 -0.956 -8.497 -5.215 558 HD11 LEU 72 HD11 LEU 72 -0.138 -8.070 -2.943 559 HD12 LEU 72 HD12 LEU 72 1.150 -7.920 -4.141 560 HD13 LEU 72 HD13 LEU 72 1.055 -9.363 -3.123 561 HD21 LEU 72 HD21 LEU 72 -0.264 -10.474 -6.499 562 HD22 LEU 72 HD22 LEU 72 0.950 -10.867 -5.279 563 HD23 LEU 72 HD23 LEU 72 1.097 -9.390 -6.236 564 H HIS 73 H HIS 73 -4.492 -10.515 -3.196 565 HA HIS 73 HA HIS 73 -4.362 -13.053 -1.842 566 HB2 HIS 73 HB2 HIS 73 -6.355 -10.766 -1.726 567 HB3 HIS 73 HB3 HIS 73 -6.614 -12.253 -0.822 568 HD1 HIS 73 HD1 HIS 73 -4.165 -12.836 0.637 569 HD2 HIS 73 HD2 HIS 73 -5.282 -8.916 -0.087 570 HE1 HIS 73 HE1 HIS 73 -2.950 -11.443 2.339 571 HE2 HIS 73 HE2 HIS 73 -3.990 -9.163 2.108 572 H ILE 74 H ILE 74 -6.320 -11.725 -4.417 573 HA ILE 74 HA ILE 74 -8.236 -13.810 -4.640 574 HB ILE 74 HB ILE 74 -7.304 -11.618 -6.538 575 HG12 ILE 74 HG12 ILE 74 -9.978 -11.898 -5.089 576 HG13 ILE 74 HG13 ILE 74 -8.612 -11.009 -4.430 577 HG21 ILE 74 HG21 ILE 74 -9.583 -13.554 -7.044 578 HG22 ILE 74 HG22 ILE 74 -8.082 -13.442 -7.964 579 HG23 ILE 74 HG23 ILE 74 -9.239 -12.112 -8.004 580 HD11 ILE 74 HD11 ILE 74 -10.170 -10.339 -6.927 581 HD12 ILE 74 HD12 ILE 74 -8.707 -9.499 -6.400 582 HD13 ILE 74 HD13 ILE 74 -10.152 -9.464 -5.392 583 H LYS 75 H LYS 75 -5.261 -12.996 -6.364 584 HA LYS 75 HA LYS 75 -4.894 -15.206 -8.008 585 HB2 LYS 75 HB2 LYS 75 -3.508 -13.299 -8.328 586 HB3 LYS 75 HB3 LYS 75 -3.035 -13.252 -6.635 587 HG2 LYS 75 HG2 LYS 75 -1.659 -15.272 -6.960 588 HG3 LYS 75 HG3 LYS 75 -2.113 -15.308 -8.668 589 HD2 LYS 75 HD2 LYS 75 -0.965 -13.235 -9.102 590 HD3 LYS 75 HD3 LYS 75 -0.728 -12.923 -7.378 591 HE2 LYS 75 HE2 LYS 75 1.334 -13.732 -8.580 592 HE3 LYS 75 HE3 LYS 75 0.862 -14.727 -7.202 593 HZ1 LYS 75 HZ1 LYS 75 -0.102 -16.333 -8.698 594 HZ2 LYS 75 HZ2 LYS 75 1.501 -16.036 -9.150 595 HZ3 LYS 75 HZ3 LYS 75 0.237 -15.350 -10.041 596 H GLN 76 H GLN 76 -3.911 -14.693 -4.640 597 HA GLN 76 HA GLN 76 -2.397 -17.058 -4.275 598 HB2 GLN 76 HB2 GLN 76 -2.205 -14.975 -2.878 599 HB3 GLN 76 HB3 GLN 76 -3.778 -15.324 -2.184 600 HG2 GLN 76 HG2 GLN 76 -2.111 -15.984 -0.597 601 HG3 GLN 76 HG3 GLN 76 -2.837 -17.452 -1.244 602 HE21 GLN 76 HE21 GLN 76 0.014 -15.444 -1.188 603 HE22 GLN 76 HE22 GLN 76 1.105 -16.618 -1.825 604 H HIS 77 H HIS 77 -5.777 -16.190 -3.663 605 HA HIS 77 HA HIS 77 -6.586 -18.344 -2.077 606 HB2 HIS 77 HB2 HIS 77 -7.923 -16.286 -2.288 607 HB3 HIS 77 HB3 HIS 77 -8.238 -16.629 -3.984 608 HD1 HIS 77 HD1 HIS 77 -9.103 -17.911 -0.519 609 HD2 HIS 77 HD2 HIS 77 -10.409 -18.294 -4.431 610 HE1 HIS 77 HE1 HIS 77 -11.290 -19.139 -0.387 611 HE2 HIS 77 HE2 HIS 77 -11.899 -19.573 -2.793 612 H GLU 78 H GLU 78 -6.697 -17.921 -5.614 613 HA GLU 78 HA GLU 78 -8.064 -20.311 -6.244 614 HB2 GLU 78 HB2 GLU 78 -6.022 -18.926 -8.027 615 HB3 GLU 78 HB3 GLU 78 -7.359 -19.956 -8.536 616 HG2 GLU 78 HG2 GLU 78 -7.504 -17.161 -7.388 617 HG3 GLU 78 HG3 GLU 78 -7.907 -17.666 -9.023 618 H GLU 79 H GLU 79 -4.605 -19.551 -5.954 619 HA GLU 79 HA GLU 79 -3.611 -22.049 -6.891 620 HB2 GLU 79 HB2 GLU 79 -2.245 -19.896 -5.225 621 HB3 GLU 79 HB3 GLU 79 -1.414 -21.236 -6.020 622 HG2 GLU 79 HG2 GLU 79 -2.228 -20.382 -8.221 623 HG3 GLU 79 HG3 GLU 79 -2.953 -19.003 -7.394 624 H VAL 80 H VAL 80 -4.256 -20.749 -3.648 625 HA VAL 80 HA VAL 80 -3.194 -22.831 -2.080 626 HB VAL 80 HB VAL 80 -5.425 -20.829 -1.506 627 HG11 VAL 80 HG11 VAL 80 -5.249 -21.427 0.903 628 HG12 VAL 80 HG12 VAL 80 -4.158 -22.752 0.485 629 HG13 VAL 80 HG13 VAL 80 -5.836 -22.784 -0.059 630 HG21 VAL 80 HG21 VAL 80 -3.717 -19.704 -0.102 631 HG22 VAL 80 HG22 VAL 80 -3.154 -19.868 -1.768 632 HG23 VAL 80 HG23 VAL 80 -2.545 -20.959 -0.522 633 H GLU 81 H GLU 81 -6.449 -22.345 -3.434 634 HA GLU 81 HA GLU 81 -7.687 -24.670 -2.412 635 HB2 GLU 81 HB2 GLU 81 -8.333 -23.107 -4.947 636 HB3 GLU 81 HB3 GLU 81 -9.383 -24.315 -4.213 637 HG2 GLU 81 HG2 GLU 81 -9.651 -22.905 -2.215 638 HG3 GLU 81 HG3 GLU 81 -8.541 -21.717 -2.888 639 H LYS 82 H LYS 82 -5.887 -24.051 -5.396 640 HA LYS 82 HA LYS 82 -6.364 -26.514 -6.712 641 HB2 LYS 82 HB2 LYS 82 -5.756 -24.659 -8.049 642 HB3 LYS 82 HB3 LYS 82 -4.391 -24.242 -7.038 643 HG2 LYS 82 HG2 LYS 82 -4.241 -26.839 -8.540 644 HG3 LYS 82 HG3 LYS 82 -4.116 -25.349 -9.476 645 HD2 LYS 82 HD2 LYS 82 -2.206 -24.611 -8.091 646 HD3 LYS 82 HD3 LYS 82 -2.343 -26.057 -7.091 647 HE2 LYS 82 HE2 LYS 82 -1.858 -27.415 -9.177 648 HE3 LYS 82 HE3 LYS 82 -1.507 -25.892 -10.002 649 HZ1 LYS 82 HZ1 LYS 82 0.234 -25.455 -8.410 650 HZ2 LYS 82 HZ2 LYS 82 0.498 -26.962 -9.128 651 HZ3 LYS 82 HZ3 LYS 82 -0.125 -26.867 -7.554 652 H ASP 83 H ASP 83 -3.716 -25.423 -4.596 653 HA ASP 83 HA ASP 83 -2.055 -27.732 -4.992 654 HB2 ASP 83 HB2 ASP 83 -1.923 -25.482 -2.945 655 HB3 ASP 83 HB3 ASP 83 -0.726 -26.772 -3.028 656 H LYS 84 H LYS 84 -4.299 -26.678 -2.463 657 HA LYS 84 HA LYS 84 -3.881 -28.975 -0.774 658 HB2 LYS 84 HB2 LYS 84 -6.001 -26.798 -0.669 659 HB3 LYS 84 HB3 LYS 84 -5.813 -28.064 0.544 660 HG2 LYS 84 HG2 LYS 84 -3.517 -27.236 1.025 661 HG3 LYS 84 HG3 LYS 84 -3.752 -25.942 -0.147 662 HD2 LYS 84 HD2 LYS 84 -4.149 -24.944 1.969 663 HD3 LYS 84 HD3 LYS 84 -5.748 -25.194 1.276 664 HE2 LYS 84 HE2 LYS 84 -4.459 -27.064 3.294 665 HE3 LYS 84 HE3 LYS 84 -5.554 -25.758 3.728 666 HZ1 LYS 84 HZ1 LYS 84 -6.208 -28.156 2.096 667 HZ2 LYS 84 HZ2 LYS 84 -7.260 -26.857 2.342 668 HZ3 LYS 84 HZ3 LYS 84 -6.759 -27.798 3.655 669 H LYS 85 H LYS 85 -5.980 -28.256 -3.486 670 HA LYS 85 HA LYS 85 -7.987 -30.224 -3.035 671 HB2 LYS 85 HB2 LYS 85 -8.173 -28.380 -4.745 672 HB3 LYS 85 HB3 LYS 85 -6.963 -29.206 -5.722 673 HG2 LYS 85 HG2 LYS 85 -8.506 -31.169 -5.897 674 HG3 LYS 85 HG3 LYS 85 -9.722 -30.253 -5.000 675 HD2 LYS 85 HD2 LYS 85 -9.716 -28.528 -6.812 676 HD3 LYS 85 HD3 LYS 85 -8.551 -29.504 -7.713 677 HE2 LYS 85 HE2 LYS 85 -10.221 -31.351 -7.786 678 HE3 LYS 85 HE3 LYS 85 -11.386 -30.300 -6.979 679 HZ1 LYS 85 HZ1 LYS 85 -10.125 -29.776 -9.617 680 HZ2 LYS 85 HZ2 LYS 85 -11.260 -28.792 -8.847 681 HZ3 LYS 85 HZ3 LYS 85 -11.705 -30.333 -9.370 682 H ALA 86 H ALA 86 -5.058 -30.280 -5.089 683 HA ALA 86 HA ALA 86 -5.060 -33.044 -5.698 684 HB1 ALA 86 HB1 ALA 86 -3.778 -31.382 -6.993 685 HB2 ALA 86 HB2 ALA 86 -2.726 -32.673 -6.407 686 HB3 ALA 86 HB3 ALA 86 -2.726 -31.105 -5.601 687 H LYS 87 H LYS 87 -3.520 -31.153 -3.160 688 HA LYS 87 HA LYS 87 -2.950 -31.538 -1.049 689 HB2 LYS 87 HB2 LYS 87 -5.290 -32.455 -0.989 690 HB3 LYS 87 HB3 LYS 87 -4.632 -34.064 -1.236 691 HG2 LYS 87 HG2 LYS 87 -5.190 -33.659 1.131 692 HG3 LYS 87 HG3 LYS 87 -3.458 -33.950 0.919 693 HD2 LYS 87 HD2 LYS 87 -2.984 -31.563 1.107 694 HD3 LYS 87 HD3 LYS 87 -4.707 -31.180 1.123 695 HE2 LYS 87 HE2 LYS 87 -3.316 -32.825 3.256 696 HE3 LYS 87 HE3 LYS 87 -3.601 -31.090 3.372 697 HZ1 LYS 87 HZ1 LYS 87 -6.000 -31.551 3.182 698 HZ2 LYS 87 HZ2 LYS 87 -5.299 -32.241 4.554 699 HZ3 LYS 87 HZ3 LYS 87 -5.677 -33.214 3.224 700 H GLN 88 H GLN 88 -3.070 -34.999 -1.858 701 HA GLN 88 HA GLN 88 -0.681 -35.656 -0.520 702 HB2 GLN 88 HB2 GLN 88 -2.507 -37.251 -0.891 703 HB3 GLN 88 HB3 GLN 88 -2.255 -37.177 -2.630 704 HG2 GLN 88 HG2 GLN 88 -0.031 -38.222 -2.353 705 HG3 GLN 88 HG3 GLN 88 -0.273 -38.275 -0.610 706 HE21 GLN 88 HE21 GLN 88 -0.051 -40.516 -0.551 707 HE22 GLN 88 HE22 GLN 88 -1.263 -41.586 -1.151 708 H GLN 89 H GLN 89 -1.332 -34.692 -3.808 709 HA GLN 89 HA GLN 89 0.824 -35.706 -5.227 710 HB2 GLN 89 HB2 GLN 89 -1.188 -34.542 -6.193 711 HB3 GLN 89 HB3 GLN 89 -0.519 -33.002 -5.667 712 HG2 GLN 89 HG2 GLN 89 -0.099 -33.357 -8.050 713 HG3 GLN 89 HG3 GLN 89 1.423 -33.333 -7.154 714 HE21 GLN 89 HE21 GLN 89 2.552 -34.516 -8.674 715 HE22 GLN 89 HE22 GLN 89 2.275 -36.191 -8.987 716 H LYS 90 H LYS 90 0.663 -32.807 -3.212 717 HA LYS 90 HA LYS 90 3.558 -32.596 -3.148 718 HB2 LYS 90 HB2 LYS 90 3.509 -30.142 -3.714 719 HB3 LYS 90 HB3 LYS 90 3.130 -31.202 -5.068 720 HG2 LYS 90 HG2 LYS 90 0.757 -30.688 -4.890 721 HG3 LYS 90 HG3 LYS 90 1.028 -29.751 -3.416 722 HD2 LYS 90 HD2 LYS 90 2.108 -29.062 -6.181 723 HD3 LYS 90 HD3 LYS 90 0.733 -28.290 -5.390 724 HE2 LYS 90 HE2 LYS 90 2.286 -27.557 -3.549 725 HE3 LYS 90 HE3 LYS 90 3.634 -28.200 -4.488 726 HZ1 LYS 90 HZ1 LYS 90 1.787 -26.066 -5.409 727 HZ2 LYS 90 HZ2 LYS 90 3.146 -26.647 -6.227 728 HZ3 LYS 90 HZ3 LYS 90 3.341 -25.817 -4.774 729 H THR 91 H THR 91 4.173 -32.192 -1.132 730 HA THR 91 HA THR 91 2.394 -31.339 0.939 731 HB THR 91 HB THR 91 4.579 -31.227 2.317 732 HG1 THR 91 HG1 THR 91 5.772 -31.111 0.106 733 HG21 THR 91 HG21 THR 91 3.122 -33.230 2.358 734 HG22 THR 91 HG22 THR 91 4.827 -33.671 2.459 735 HG23 THR 91 HG23 THR 91 3.955 -33.866 0.937 736 H LEU 92 H LEU 92 1.587 -29.331 0.268 737 HA LEU 92 HA LEU 92 3.346 -27.064 0.931 738 HB2 LEU 92 HB2 LEU 92 3.209 -27.111 -1.549 739 HB3 LEU 92 HB3 LEU 92 1.458 -27.068 -1.459 740 HG LEU 92 HG LEU 92 1.548 -24.782 -0.461 741 HD11 LEU 92 HD11 LEU 92 3.673 -24.926 0.718 742 HD12 LEU 92 HD12 LEU 92 3.659 -23.530 -0.355 743 HD13 LEU 92 HD13 LEU 92 4.552 -24.984 -0.813 744 HD21 LEU 92 HD21 LEU 92 3.141 -24.984 -3.035 745 HD22 LEU 92 HD22 LEU 92 2.280 -23.557 -2.448 746 HD23 LEU 92 HD23 LEU 92 1.379 -25.000 -2.901 747 H LYS 93 H LYS 93 2.363 -27.188 2.938 748 HA LYS 93 HA LYS 93 0.303 -25.297 3.245 749 HB2 LYS 93 HB2 LYS 93 -1.425 -26.607 4.366 750 HB3 LYS 93 HB3 LYS 93 -1.164 -27.284 2.763 751 HG2 LYS 93 HG2 LYS 93 0.208 -29.092 3.748 752 HG3 LYS 93 HG3 LYS 93 -0.048 -28.401 5.354 753 HD2 LYS 93 HD2 LYS 93 -2.545 -28.744 4.970 754 HD3 LYS 93 HD3 LYS 93 -2.111 -29.667 3.527 755 HE2 LYS 93 HE2 LYS 93 -2.494 -31.190 5.396 756 HE3 LYS 93 HE3 LYS 93 -0.788 -31.221 4.952 757 HZ1 LYS 93 HZ1 LYS 93 -0.281 -29.809 6.819 758 HZ2 LYS 93 HZ2 LYS 93 -1.180 -31.131 7.368 759 HZ3 LYS 93 HZ3 LYS 93 -1.921 -29.628 7.187 760 H GLN 94 H GLN 94 0.168 -24.549 5.322 761 HA GLN 94 HA GLN 94 1.593 -25.925 7.522 762 HB2 GLN 94 HB2 GLN 94 1.299 -22.899 7.094 763 HB3 GLN 94 HB3 GLN 94 2.062 -23.662 8.489 764 HG2 GLN 94 HG2 GLN 94 3.880 -24.497 7.109 765 HG3 GLN 94 HG3 GLN 94 3.079 -23.937 5.641 766 HE21 GLN 94 HE21 GLN 94 3.072 -21.716 5.170 767 HE22 GLN 94 HE22 GLN 94 4.145 -20.607 5.946 768 H SER 95 H SER 95 0.155 -26.394 9.201 769 HA SER 95 HA SER 95 -1.863 -26.977 10.060 770 HB2 SER 95 HB2 SER 95 -1.977 -24.522 10.659 771 HB3 SER 95 HB3 SER 95 -2.828 -24.221 9.150 772 HG SER 95 HG SER 95 -3.721 -25.308 11.513 773 H ASP 96 H ASP 96 -4.544 -26.165 8.787 774 HA ASP 96 HA ASP 96 -4.253 -26.866 5.980 775 HB2 ASP 96 HB2 ASP 96 -4.523 -29.085 7.203 776 HB3 ASP 96 HB3 ASP 96 -6.117 -28.553 7.726 777 H THR 97 H THR 97 -7.477 -27.303 7.180 778 HA THR 97 HA THR 97 -8.363 -24.682 7.564 779 HB THR 97 HB THR 97 -7.881 -24.372 5.126 780 HG1 THR 97 HG1 THR 97 -9.518 -23.127 5.867 781 HG21 THR 97 HG21 THR 97 -9.999 -26.513 4.642 782 HG22 THR 97 HG22 THR 97 -8.272 -26.684 4.323 783 HG23 THR 97 HG23 THR 97 -9.227 -25.520 3.403 784 H LYS 98 H LYS 98 -10.608 -24.634 8.084 785 HA LYS 98 HA LYS 98 -12.353 -26.924 7.803 786 HB2 LYS 98 HB2 LYS 98 -10.821 -27.638 9.694 787 HB3 LYS 98 HB3 LYS 98 -11.319 -26.213 10.598 788 HG2 LYS 98 HG2 LYS 98 -13.656 -27.083 10.625 789 HG3 LYS 98 HG3 LYS 98 -13.112 -28.529 9.771 790 HD2 LYS 98 HD2 LYS 98 -11.535 -28.955 11.737 791 HD3 LYS 98 HD3 LYS 98 -12.347 -27.628 12.574 792 HE2 LYS 98 HE2 LYS 98 -13.679 -30.183 11.599 793 HE3 LYS 98 HE3 LYS 98 -13.236 -29.829 13.268 794 HZ1 LYS 98 HZ1 LYS 98 -15.216 -28.291 11.655 795 HZ2 LYS 98 HZ2 LYS 98 -14.810 -28.001 13.272 796 HZ3 LYS 98 HZ3 LYS 98 -15.592 -29.436 12.842 797 H VAL 99 H VAL 99 -14.504 -26.307 8.204 798 HA VAL 99 HA VAL 99 -15.020 -23.676 9.421 799 HB VAL 99 HB VAL 99 -15.084 -23.130 7.085 800 HG11 VAL 99 HG11 VAL 99 -16.980 -25.451 6.602 801 HG12 VAL 99 HG12 VAL 99 -15.293 -25.362 6.088 802 HG13 VAL 99 HG13 VAL 99 -16.484 -24.257 5.400 803 HG21 VAL 99 HG21 VAL 99 -17.951 -23.441 8.053 804 HG22 VAL 99 HG22 VAL 99 -17.410 -22.357 6.770 805 HG23 VAL 99 HG23 VAL 99 -16.865 -22.096 8.427 Start of MODEL 3 1 H2 GLY 1 H2 GLY 1 -12.330 22.403 28.004 2 H GLY 1 H1 GLY 1 -11.042 22.814 26.991 3 H3 GLY 1 H3 GLY 1 -11.565 23.897 28.181 4 HA2 GLY 1 HA2 GLY 1 -13.680 24.169 27.066 5 HA3 GLY 1 HA3 GLY 1 -12.334 24.614 26.026 6 H VAL 2 H VAL 2 -12.412 23.796 24.019 7 HA VAL 2 HA VAL 2 -14.106 21.432 23.446 8 HB VAL 2 HB VAL 2 -14.281 22.257 21.142 9 HG11 VAL 2 HG11 VAL 2 -15.621 24.299 21.520 10 HG12 VAL 2 HG12 VAL 2 -14.927 24.464 23.135 11 HG13 VAL 2 HG13 VAL 2 -15.950 23.077 22.750 12 HG21 VAL 2 HG21 VAL 2 -12.088 23.307 20.855 13 HG22 VAL 2 HG22 VAL 2 -12.515 24.584 21.994 14 HG23 VAL 2 HG23 VAL 2 -13.357 24.465 20.446 15 H GLU 3 H GLU 3 -13.326 19.999 21.693 16 HA GLU 3 HA GLU 3 -10.465 19.419 21.933 17 HB2 GLU 3 HB2 GLU 3 -11.015 17.315 20.785 18 HB3 GLU 3 HB3 GLU 3 -12.073 17.568 22.167 19 HG2 GLU 3 HG2 GLU 3 -13.925 18.186 20.721 20 HG3 GLU 3 HG3 GLU 3 -12.876 18.174 19.301 21 H LYS 4 H LYS 4 -10.117 18.189 19.342 22 HA LYS 4 HA LYS 4 -9.319 20.147 17.563 23 HB2 LYS 4 HB2 LYS 4 -9.369 18.374 15.812 24 HB3 LYS 4 HB3 LYS 4 -8.662 17.773 17.312 25 HG2 LYS 4 HG2 LYS 4 -10.730 16.595 17.878 26 HG3 LYS 4 HG3 LYS 4 -11.544 17.290 16.471 27 HD2 LYS 4 HD2 LYS 4 -9.996 16.076 14.967 28 HD3 LYS 4 HD3 LYS 4 -9.171 15.384 16.371 29 HE2 LYS 4 HE2 LYS 4 -12.096 14.944 15.670 30 HE3 LYS 4 HE3 LYS 4 -10.793 13.801 15.343 31 HZ1 LYS 4 HZ1 LYS 4 -11.676 14.716 18.037 32 HZ2 LYS 4 HZ2 LYS 4 -10.400 13.649 17.739 33 HZ3 LYS 4 HZ3 LYS 4 -11.984 13.206 17.336 34 H THR 5 H THR 5 -10.270 20.978 15.626 35 HA THR 5 HA THR 5 -13.155 20.638 15.215 36 HB THR 5 HB THR 5 -12.998 22.607 16.674 37 HG1 THR 5 HG1 THR 5 -14.636 22.921 15.341 38 HG21 THR 5 HG21 THR 5 -10.698 23.373 16.156 39 HG22 THR 5 HG22 THR 5 -11.864 24.689 16.002 40 HG23 THR 5 HG23 THR 5 -11.234 23.897 14.555 41 H ALA 6 H ALA 6 -13.555 20.286 13.132 42 HA ALA 6 HA ALA 6 -11.505 20.445 11.120 43 HB1 ALA 6 HB1 ALA 6 -13.116 18.590 11.114 44 HB2 ALA 6 HB2 ALA 6 -13.223 19.501 9.608 45 HB3 ALA 6 HB3 ALA 6 -14.450 19.718 10.858 46 H GLY 7 H GLY 7 -10.980 22.616 10.922 47 HA2 GLY 7 HA2 GLY 7 -12.511 24.219 9.135 48 HA3 GLY 7 HA3 GLY 7 -12.667 24.815 10.783 49 H GLU 8 H GLU 8 -10.199 23.875 8.389 50 HA GLU 8 HA GLU 8 -8.094 25.533 9.302 51 HB2 GLU 8 HB2 GLU 8 -7.706 23.774 7.627 52 HB3 GLU 8 HB3 GLU 8 -8.803 24.557 6.490 53 HG2 GLU 8 HG2 GLU 8 -7.215 26.497 6.360 54 HG3 GLU 8 HG3 GLU 8 -6.103 25.621 7.419 55 H THR 9 H THR 9 -8.355 27.674 9.624 56 HA THR 9 HA THR 9 -10.454 29.233 8.381 57 HB THR 9 HB THR 9 -9.399 31.075 9.891 58 HG1 THR 9 HG1 THR 9 -7.340 30.204 10.169 59 HG21 THR 9 HG21 THR 9 -10.334 30.101 11.965 60 HG22 THR 9 HG22 THR 9 -10.365 28.504 11.213 61 HG23 THR 9 HG23 THR 9 -11.402 29.793 10.594 62 H SER 10 H SER 10 -9.595 31.717 7.988 63 HA SER 10 HA SER 10 -8.256 31.683 5.487 64 HB2 SER 10 HB2 SER 10 -8.381 34.224 5.701 65 HB3 SER 10 HB3 SER 10 -9.925 33.389 5.871 66 HG SER 10 HG SER 10 -8.324 34.583 7.877 67 H ALA 11 H ALA 11 -6.304 30.676 5.881 68 HA ALA 11 HA ALA 11 -4.086 32.358 6.778 69 HB1 ALA 11 HB1 ALA 11 -4.562 29.548 7.873 70 HB2 ALA 11 HB2 ALA 11 -4.687 31.047 8.794 71 HB3 ALA 11 HB3 ALA 11 -3.124 30.534 8.159 72 H THR 12 H THR 12 -5.090 29.146 5.588 73 HA THR 12 HA THR 12 -4.617 27.918 3.757 74 HB THR 12 HB THR 12 -3.421 30.421 2.471 75 HG1 THR 12 HG1 THR 12 -5.512 31.093 2.022 76 HG21 THR 12 HG21 THR 12 -5.053 28.141 1.272 77 HG22 THR 12 HG22 THR 12 -3.307 28.332 1.113 78 HG23 THR 12 HG23 THR 12 -4.393 29.516 0.384 79 H ASP 13 H ASP 13 -2.651 28.256 5.911 80 HA ASP 13 HA ASP 13 0.012 28.478 4.981 81 HB2 ASP 13 HB2 ASP 13 0.642 27.611 7.227 82 HB3 ASP 13 HB3 ASP 13 -0.563 28.884 7.327 83 H THR 14 H THR 14 -2.152 25.753 5.474 84 HA THR 14 HA THR 14 -2.204 23.612 4.800 85 HB THR 14 HB THR 14 0.159 24.170 2.954 86 HG1 THR 14 HG1 THR 14 -1.325 25.783 2.541 87 HG21 THR 14 HG21 THR 14 -0.915 22.528 1.456 88 HG22 THR 14 HG22 THR 14 -2.216 22.290 2.623 89 HG23 THR 14 HG23 THR 14 -0.570 21.792 3.022 90 H GLY 15 H GLY 15 0.182 24.840 6.649 91 HA2 GLY 15 HA2 GLY 15 2.105 22.751 6.888 92 HA3 GLY 15 HA3 GLY 15 1.804 24.050 8.041 93 H LYS 16 H LYS 16 -0.925 23.602 8.563 94 HA LYS 16 HA LYS 16 -1.027 21.600 10.494 95 HB2 LYS 16 HB2 LYS 16 -3.232 22.959 8.895 96 HB3 LYS 16 HB3 LYS 16 -3.612 21.755 10.125 97 HG2 LYS 16 HG2 LYS 16 -2.146 24.366 10.590 98 HG3 LYS 16 HG3 LYS 16 -3.835 24.045 10.975 99 HD2 LYS 16 HD2 LYS 16 -1.476 22.570 12.231 100 HD3 LYS 16 HD3 LYS 16 -2.291 23.956 12.952 101 HE2 LYS 16 HE2 LYS 16 -3.210 22.038 14.016 102 HE3 LYS 16 HE3 LYS 16 -4.440 22.582 12.883 103 HZ1 LYS 16 HZ1 LYS 16 -3.986 20.795 11.447 104 HZ2 LYS 16 HZ2 LYS 16 -3.971 20.109 12.992 105 HZ3 LYS 16 HZ3 LYS 16 -2.523 20.437 12.198 106 H ARG 17 H ARG 17 -2.247 21.534 7.147 107 HA ARG 17 HA ARG 17 -3.210 18.911 7.075 108 HB2 ARG 17 HB2 ARG 17 -2.025 20.522 4.777 109 HB3 ARG 17 HB3 ARG 17 -2.983 19.052 4.601 110 HG2 ARG 17 HG2 ARG 17 -4.915 20.278 5.665 111 HG3 ARG 17 HG3 ARG 17 -3.940 21.756 5.601 112 HD2 ARG 17 HD2 ARG 17 -3.722 21.451 3.133 113 HD3 ARG 17 HD3 ARG 17 -4.752 20.023 3.242 114 HE ARG 17 HE ARG 17 -5.753 22.681 4.056 115 HH11 ARG 17 HH11 ARG 17 -6.005 19.865 1.961 116 HH12 ARG 17 HH12 ARG 17 -7.523 20.353 1.290 117 HH21 ARG 17 HH21 ARG 17 -7.707 23.338 3.094 118 HH22 ARG 17 HH22 ARG 17 -8.490 22.320 1.929 119 H GLU 18 H GLU 18 0.005 20.219 6.370 120 HA GLU 18 HA GLU 18 1.194 17.978 5.167 121 HB2 GLU 18 HB2 GLU 18 1.937 20.443 5.184 122 HB3 GLU 18 HB3 GLU 18 2.622 20.146 6.772 123 HG2 GLU 18 HG2 GLU 18 3.444 18.594 4.302 124 HG3 GLU 18 HG3 GLU 18 4.217 20.102 4.769 125 H LYS 19 H LYS 19 1.173 19.042 8.570 126 HA LYS 19 HA LYS 19 2.873 16.980 9.586 127 HB2 LYS 19 HB2 LYS 19 0.847 18.661 11.112 128 HB3 LYS 19 HB3 LYS 19 2.212 17.784 11.803 129 HG2 LYS 19 HG2 LYS 19 3.789 19.282 10.682 130 HG3 LYS 19 HG3 LYS 19 2.459 20.100 9.859 131 HD2 LYS 19 HD2 LYS 19 1.572 20.595 12.285 132 HD3 LYS 19 HD3 LYS 19 3.213 20.187 12.792 133 HE2 LYS 19 HE2 LYS 19 2.430 22.396 10.860 134 HE3 LYS 19 HE3 LYS 19 2.956 22.609 12.530 135 HZ1 LYS 19 HZ1 LYS 19 5.095 21.604 11.880 136 HZ2 LYS 19 HZ2 LYS 19 4.766 23.052 11.080 137 HZ3 LYS 19 HZ3 LYS 19 4.577 21.580 10.270 138 H GLN 20 H GLN 20 -0.652 17.413 9.442 139 HA GLN 20 HA GLN 20 -1.420 15.036 10.817 140 HB2 GLN 20 HB2 GLN 20 -2.921 16.801 8.823 141 HB3 GLN 20 HB3 GLN 20 -3.675 15.472 9.711 142 HG2 GLN 20 HG2 GLN 20 -3.250 16.586 11.835 143 HG3 GLN 20 HG3 GLN 20 -2.358 17.871 11.021 144 HE21 GLN 20 HE21 GLN 20 -5.535 16.513 11.603 145 HE22 GLN 20 HE22 GLN 20 -6.432 17.893 11.076 146 H LEU 21 H LEU 21 -0.609 15.789 7.529 147 HA LEU 21 HA LEU 21 -1.450 13.333 6.316 148 HB2 LEU 21 HB2 LEU 21 -1.378 15.432 5.084 149 HB3 LEU 21 HB3 LEU 21 0.338 15.595 5.360 150 HG LEU 21 HG LEU 21 -0.563 13.160 3.830 151 HD11 LEU 21 HD11 LEU 21 -0.673 14.377 1.704 152 HD12 LEU 21 HD12 LEU 21 -0.510 15.914 2.559 153 HD13 LEU 21 HD13 LEU 21 -1.943 14.910 2.807 154 HD21 LEU 21 HD21 LEU 21 1.519 13.571 2.572 155 HD22 LEU 21 HD22 LEU 21 1.825 13.493 4.306 156 HD23 LEU 21 HD23 LEU 21 1.784 15.058 3.490 157 H GLN 22 H GLN 22 1.533 14.579 7.768 158 HA GLN 22 HA GLN 22 3.272 12.434 7.094 159 HB2 GLN 22 HB2 GLN 22 3.247 14.456 9.361 160 HB3 GLN 22 HB3 GLN 22 4.441 13.167 9.350 161 HG2 GLN 22 HG2 GLN 22 5.345 13.967 7.242 162 HG3 GLN 22 HG3 GLN 22 4.112 15.231 7.156 163 HE21 GLN 22 HE21 GLN 22 4.296 17.028 8.523 164 HE22 GLN 22 HE22 GLN 22 5.717 17.372 9.442 165 H GLN 23 H GLN 23 0.982 12.923 9.768 166 HA GLN 23 HA GLN 23 1.599 10.540 11.211 167 HB2 GLN 23 HB2 GLN 23 -0.917 12.268 11.200 168 HB3 GLN 23 HB3 GLN 23 -0.626 10.959 12.347 169 HG2 GLN 23 HG2 GLN 23 1.182 13.379 12.032 170 HG3 GLN 23 HG3 GLN 23 -0.101 13.250 13.235 171 HE21 GLN 23 HE21 GLN 23 3.060 12.120 12.275 172 HE22 GLN 23 HE22 GLN 23 3.467 11.370 13.775 173 H TRP 24 H TRP 24 -0.877 11.346 8.808 174 HA TRP 24 HA TRP 24 -2.096 8.826 8.501 175 HB2 TRP 24 HB2 TRP 24 -3.128 10.877 7.662 176 HB3 TRP 24 HB3 TRP 24 -1.760 11.187 6.605 177 HD1 TRP 24 HD1 TRP 24 -3.566 7.745 6.719 178 HE1 TRP 24 HE1 TRP 24 -4.668 7.357 4.415 179 HE3 TRP 24 HE3 TRP 24 -2.645 12.307 4.580 180 HZ2 TRP 24 HZ2 TRP 24 -5.114 8.789 2.045 181 HZ3 TRP 24 HZ3 TRP 24 -3.458 12.720 2.291 182 HH2 TRP 24 HH2 TRP 24 -4.667 10.992 1.050 183 H LYS 25 H LYS 25 0.817 10.243 7.085 184 HA LYS 25 HA LYS 25 1.399 8.387 5.065 185 HB2 LYS 25 HB2 LYS 25 2.392 10.680 5.441 186 HB3 LYS 25 HB3 LYS 25 3.319 10.014 6.778 187 HG2 LYS 25 HG2 LYS 25 4.609 8.632 5.290 188 HG3 LYS 25 HG3 LYS 25 3.579 9.072 3.923 189 HD2 LYS 25 HD2 LYS 25 5.315 11.020 5.488 190 HD3 LYS 25 HD3 LYS 25 5.723 10.315 3.936 191 HE2 LYS 25 HE2 LYS 25 3.624 11.395 2.991 192 HE3 LYS 25 HE3 LYS 25 3.472 12.252 4.526 193 HZ1 LYS 25 HZ1 LYS 25 5.786 12.438 2.670 194 HZ2 LYS 25 HZ2 LYS 25 5.620 13.276 4.126 195 HZ3 LYS 25 HZ3 LYS 25 4.567 13.595 2.845 196 H ASN 26 H ASN 26 2.274 8.538 8.525 197 HA ASN 26 HA ASN 26 3.895 6.247 8.677 198 HB2 ASN 26 HB2 ASN 26 2.138 7.543 10.805 199 HB3 ASN 26 HB3 ASN 26 3.207 6.186 11.144 200 HD21 ASN 26 HD21 ASN 26 2.998 9.563 10.843 201 HD22 ASN 26 HD22 ASN 26 4.668 9.925 11.050 202 H ASN 27 H ASN 27 0.328 6.643 9.062 203 HA ASN 27 HA ASN 27 -0.331 3.994 9.752 204 HB2 ASN 27 HB2 ASN 27 -1.981 6.048 8.204 205 HB3 ASN 27 HB3 ASN 27 -2.629 4.509 8.765 206 HD21 ASN 27 HD21 ASN 27 -2.936 4.196 11.028 207 HD22 ASN 27 HD22 ASN 27 -3.016 5.544 12.106 208 H LEU 28 H LEU 28 -0.161 5.570 6.552 209 HA LEU 28 HA LEU 28 -1.045 3.398 5.000 210 HB2 LEU 28 HB2 LEU 28 0.677 5.777 4.206 211 HB3 LEU 28 HB3 LEU 28 -0.004 4.636 3.055 212 HG LEU 28 HG LEU 28 -1.545 6.568 4.828 213 HD11 LEU 28 HD11 LEU 28 -1.263 6.434 1.811 214 HD12 LEU 28 HD12 LEU 28 -0.510 7.622 2.880 215 HD13 LEU 28 HD13 LEU 28 -2.264 7.578 2.713 216 HD21 LEU 28 HD21 LEU 28 -2.654 4.463 2.940 217 HD22 LEU 28 HD22 LEU 28 -3.591 5.728 3.740 218 HD23 LEU 28 HD23 LEU 28 -2.804 4.482 4.702 219 H LYS 29 H LYS 29 2.239 4.501 5.791 220 HA LYS 29 HA LYS 29 3.707 2.685 4.217 221 HB2 LYS 29 HB2 LYS 29 4.395 4.274 6.707 222 HB3 LYS 29 HB3 LYS 29 5.586 3.262 5.891 223 HG2 LYS 29 HG2 LYS 29 5.531 4.604 3.916 224 HG3 LYS 29 HG3 LYS 29 4.088 5.472 4.451 225 HD2 LYS 29 HD2 LYS 29 6.290 6.745 4.668 226 HD3 LYS 29 HD3 LYS 29 5.296 6.669 6.124 227 HE2 LYS 29 HE2 LYS 29 6.721 4.963 7.084 228 HE3 LYS 29 HE3 LYS 29 7.634 4.803 5.583 229 HZ1 LYS 29 HZ1 LYS 29 8.814 6.100 7.233 230 HZ2 LYS 29 HZ2 LYS 29 7.550 7.219 7.301 231 HZ3 LYS 29 HZ3 LYS 29 8.448 7.040 5.880 232 H ASN 30 H ASN 30 2.628 2.505 7.609 233 HA ASN 30 HA ASN 30 3.864 0.065 8.323 234 HB2 ASN 30 HB2 ASN 30 1.304 1.344 9.391 235 HB3 ASN 30 HB3 ASN 30 2.072 -0.065 10.126 236 HD21 ASN 30 HD21 ASN 30 1.560 2.568 11.268 237 HD22 ASN 30 HD22 ASN 30 3.095 3.164 11.784 238 H ASP 31 H ASP 31 0.575 0.779 7.153 239 HA ASP 31 HA ASP 31 -0.413 -1.819 6.946 240 HB2 ASP 31 HB2 ASP 31 -1.137 0.775 5.545 241 HB3 ASP 31 HB3 ASP 31 -1.921 -0.722 5.058 242 H VAL 32 H VAL 32 1.441 0.079 4.573 243 HA VAL 32 HA VAL 32 1.340 -1.667 2.374 244 HB VAL 32 HB VAL 32 3.386 0.443 3.191 245 HG11 VAL 32 HG11 VAL 32 4.442 0.263 0.954 246 HG12 VAL 32 HG12 VAL 32 3.450 -1.153 0.601 247 HG13 VAL 32 HG13 VAL 32 4.657 -1.222 1.886 248 HG21 VAL 32 HG21 VAL 32 2.434 1.717 1.297 249 HG22 VAL 32 HG22 VAL 32 1.170 1.252 2.438 250 HG23 VAL 32 HG23 VAL 32 1.355 0.366 0.926 251 H ASP 33 H ASP 33 3.518 -1.560 5.150 252 HA ASP 33 HA ASP 33 5.297 -3.590 4.135 253 HB2 ASP 33 HB2 ASP 33 5.857 -1.598 5.749 254 HB3 ASP 33 HB3 ASP 33 5.230 -2.639 7.024 255 H ASN 34 H ASN 34 2.468 -3.510 6.216 256 HA ASN 34 HA ASN 34 2.882 -6.212 7.244 257 HB2 ASN 34 HB2 ASN 34 0.757 -4.110 7.794 258 HB3 ASN 34 HB3 ASN 34 0.572 -5.769 8.358 259 HD21 ASN 34 HD21 ASN 34 2.043 -2.754 8.992 260 HD22 ASN 34 HD22 ASN 34 2.953 -3.222 10.369 261 H THR 35 H THR 35 1.176 -4.752 4.578 262 HA THR 35 HA THR 35 -0.752 -6.834 4.145 263 HB THR 35 HB THR 35 -0.773 -5.874 1.722 264 HG1 THR 35 HG1 THR 35 0.670 -3.767 2.960 265 HG21 THR 35 HG21 THR 35 -2.097 -3.918 2.363 266 HG22 THR 35 HG22 THR 35 -1.467 -4.005 4.009 267 HG23 THR 35 HG23 THR 35 -2.501 -5.297 3.393 268 H ILE 36 H ILE 36 -0.712 -8.123 1.998 269 HA ILE 36 HA ILE 36 1.727 -9.726 2.024 270 HB ILE 36 HB ILE 36 0.535 -11.393 0.735 271 HG12 ILE 36 HG12 ILE 36 -1.873 -9.521 0.490 272 HG13 ILE 36 HG13 ILE 36 -0.707 -9.775 -0.805 273 HG21 ILE 36 HG21 ILE 36 0.042 -11.307 3.157 274 HG22 ILE 36 HG22 ILE 36 -1.336 -11.923 2.242 275 HG23 ILE 36 HG23 ILE 36 -1.350 -10.261 2.839 276 HD11 ILE 36 HD11 ILE 36 -1.284 -12.159 -0.864 277 HD12 ILE 36 HD12 ILE 36 -2.680 -11.124 -1.153 278 HD13 ILE 36 HD13 ILE 36 -2.475 -11.898 0.416 279 H LEU 37 H LEU 37 1.720 -6.979 0.731 280 HA LEU 37 HA LEU 37 1.975 -7.150 -2.059 281 HB2 LEU 37 HB2 LEU 37 3.595 -5.330 -0.240 282 HB3 LEU 37 HB3 LEU 37 3.316 -5.106 -1.958 283 HG LEU 37 HG LEU 37 1.362 -4.719 0.326 284 HD11 LEU 37 HD11 LEU 37 2.842 -2.838 -0.134 285 HD12 LEU 37 HD12 LEU 37 1.181 -2.437 -0.556 286 HD13 LEU 37 HD13 LEU 37 2.342 -2.823 -1.830 287 HD21 LEU 37 HD21 LEU 37 -0.390 -4.188 -1.338 288 HD22 LEU 37 HD22 LEU 37 0.088 -5.882 -1.363 289 HD23 LEU 37 HD23 LEU 37 0.668 -4.786 -2.625 290 H SER 38 H SER 38 3.809 -7.345 -3.408 291 HA SER 38 HA SER 38 5.878 -9.144 -2.737 292 HB2 SER 38 HB2 SER 38 5.848 -7.066 -4.973 293 HB3 SER 38 HB3 SER 38 6.834 -8.534 -4.915 294 HG SER 38 HG SER 38 4.997 -9.762 -5.149 295 H HIS 39 H HIS 39 8.192 -8.682 -2.562 296 HA HIS 39 HA HIS 39 8.831 -6.926 -0.508 297 HB2 HIS 39 HB2 HIS 39 10.207 -8.878 -1.015 298 HB3 HIS 39 HB3 HIS 39 10.630 -8.230 -2.597 299 HD1 HIS 39 HD1 HIS 39 11.243 -7.575 1.088 300 HD2 HIS 39 HD2 HIS 39 12.871 -6.622 -2.611 301 HE1 HIS 39 HE1 HIS 39 13.389 -6.372 1.580 302 HE2 HIS 39 HE2 HIS 39 14.445 -6.016 -0.669 303 H GLU 40 H GLU 40 9.445 -6.544 -4.002 304 HA GLU 40 HA GLU 40 10.671 -3.999 -3.923 305 HB2 GLU 40 HB2 GLU 40 9.150 -5.372 -6.179 306 HB3 GLU 40 HB3 GLU 40 10.148 -3.931 -6.378 307 HG2 GLU 40 HG2 GLU 40 12.139 -5.199 -5.667 308 HG3 GLU 40 HG3 GLU 40 11.145 -6.638 -5.430 309 H GLN 41 H GLN 41 7.261 -4.980 -4.135 310 HA GLN 41 HA GLN 41 6.153 -2.438 -4.765 311 HB2 GLN 41 HB2 GLN 41 4.880 -4.837 -3.366 312 HB3 GLN 41 HB3 GLN 41 3.990 -3.396 -3.861 313 HG2 GLN 41 HG2 GLN 41 4.618 -3.838 -6.214 314 HG3 GLN 41 HG3 GLN 41 5.429 -5.321 -5.706 315 HE21 GLN 41 HE21 GLN 41 3.135 -4.928 -7.507 316 HE22 GLN 41 HE22 GLN 41 1.865 -5.904 -6.866 317 H LYS 42 H LYS 42 6.876 -4.061 -1.695 318 HA LYS 42 HA LYS 42 5.651 -2.181 0.021 319 HB2 LYS 42 HB2 LYS 42 7.863 -4.209 0.468 320 HB3 LYS 42 HB3 LYS 42 7.257 -3.179 1.768 321 HG2 LYS 42 HG2 LYS 42 5.008 -4.083 1.464 322 HG3 LYS 42 HG3 LYS 42 5.583 -5.119 0.149 323 HD2 LYS 42 HD2 LYS 42 7.043 -6.323 1.717 324 HD3 LYS 42 HD3 LYS 42 6.561 -5.244 3.033 325 HE2 LYS 42 HE2 LYS 42 4.249 -6.068 2.853 326 HE3 LYS 42 HE3 LYS 42 4.721 -7.132 1.527 327 HZ1 LYS 42 HZ1 LYS 42 4.622 -8.313 3.617 328 HZ2 LYS 42 HZ2 LYS 42 5.753 -7.264 4.308 329 HZ3 LYS 42 HZ3 LYS 42 6.207 -8.284 3.040 330 H ASN 43 H ASN 43 8.998 -2.521 -1.110 331 HA ASN 43 HA ASN 43 10.114 -0.300 0.213 332 HB2 ASN 43 HB2 ASN 43 10.932 -1.656 -2.402 333 HB3 ASN 43 HB3 ASN 43 11.914 -0.454 -1.578 334 HD21 ASN 43 HD21 ASN 43 13.619 -1.939 -1.367 335 HD22 ASN 43 HD22 ASN 43 13.567 -3.235 -0.223 336 H GLU 44 H GLU 44 8.620 -0.624 -3.008 337 HA GLU 44 HA GLU 44 9.293 1.969 -3.970 338 HB2 GLU 44 HB2 GLU 44 8.808 -0.017 -5.433 339 HB3 GLU 44 HB3 GLU 44 7.112 0.085 -4.967 340 HG2 GLU 44 HG2 GLU 44 7.074 2.426 -5.930 341 HG3 GLU 44 HG3 GLU 44 8.703 2.136 -6.545 342 H PHE 45 H PHE 45 6.157 0.588 -2.882 343 HA PHE 45 HA PHE 45 4.560 2.851 -3.097 344 HB2 PHE 45 HB2 PHE 45 4.344 0.328 -1.464 345 HB3 PHE 45 HB3 PHE 45 3.288 1.656 -1.016 346 HD1 PHE 45 HD1 PHE 45 1.680 2.592 -2.751 347 HD2 PHE 45 HD2 PHE 45 3.799 -1.078 -3.351 348 HE1 PHE 45 HE1 PHE 45 0.037 1.909 -4.450 349 HE2 PHE 45 HE2 PHE 45 2.161 -1.747 -5.049 350 HZ PHE 45 HZ PHE 45 0.274 -0.261 -5.598 351 H LYS 46 H LYS 46 6.480 1.745 -0.260 352 HA LYS 46 HA LYS 46 5.688 3.821 1.488 353 HB2 LYS 46 HB2 LYS 46 8.098 1.984 1.478 354 HB3 LYS 46 HB3 LYS 46 7.959 3.267 2.677 355 HG2 LYS 46 HG2 LYS 46 5.726 2.283 3.356 356 HG3 LYS 46 HG3 LYS 46 6.066 0.913 2.293 357 HD2 LYS 46 HD2 LYS 46 7.886 1.775 4.582 358 HD3 LYS 46 HD3 LYS 46 6.632 0.547 4.744 359 HE2 LYS 46 HE2 LYS 46 8.896 0.343 2.730 360 HE3 LYS 46 HE3 LYS 46 8.964 -0.344 4.355 361 HZ1 LYS 46 HZ1 LYS 46 7.124 -1.745 3.865 362 HZ2 LYS 46 HZ2 LYS 46 8.268 -1.920 2.632 363 HZ3 LYS 46 HZ3 LYS 46 6.875 -1.004 2.358 364 H THR 47 H THR 47 8.472 3.610 -0.765 365 HA THR 47 HA THR 47 9.725 6.041 -0.165 366 HB THR 47 HB THR 47 9.550 4.611 -2.860 367 HG1 THR 47 HG1 THR 47 10.805 3.240 -1.871 368 HG21 THR 47 HG21 THR 47 10.344 6.953 -3.158 369 HG22 THR 47 HG22 THR 47 11.633 5.786 -3.462 370 HG23 THR 47 HG23 THR 47 11.591 6.671 -1.937 371 H LYS 48 H LYS 48 7.131 5.310 -2.509 372 HA LYS 48 HA LYS 48 6.806 7.881 -3.609 373 HB2 LYS 48 HB2 LYS 48 4.875 5.539 -3.367 374 HB3 LYS 48 HB3 LYS 48 4.478 7.015 -4.244 375 HG2 LYS 48 HG2 LYS 48 6.339 6.634 -5.786 376 HG3 LYS 48 HG3 LYS 48 6.803 5.176 -4.899 377 HD2 LYS 48 HD2 LYS 48 4.726 4.063 -5.535 378 HD3 LYS 48 HD3 LYS 48 4.093 5.549 -6.250 379 HE2 LYS 48 HE2 LYS 48 5.836 5.475 -7.979 380 HE3 LYS 48 HE3 LYS 48 6.517 4.023 -7.244 381 HZ1 LYS 48 HZ1 LYS 48 5.080 3.615 -9.193 382 HZ2 LYS 48 HZ2 LYS 48 3.753 4.178 -8.308 383 HZ3 LYS 48 HZ3 LYS 48 4.585 2.795 -7.801 384 H ILE 49 H ILE 49 5.118 6.254 -0.935 385 HA ILE 49 HA ILE 49 3.266 8.285 -0.331 386 HB ILE 49 HB ILE 49 4.314 5.971 1.370 387 HG12 ILE 49 HG12 ILE 49 1.662 6.318 -0.113 388 HG13 ILE 49 HG13 ILE 49 3.015 5.365 -0.699 389 HG21 ILE 49 HG21 ILE 49 2.406 6.311 2.897 390 HG22 ILE 49 HG22 ILE 49 1.937 7.755 2.001 391 HG23 ILE 49 HG23 ILE 49 3.460 7.726 2.886 392 HD11 ILE 49 HD11 ILE 49 1.343 4.798 1.749 393 HD12 ILE 49 HD12 ILE 49 2.759 3.868 1.255 394 HD13 ILE 49 HD13 ILE 49 1.333 3.918 0.220 395 H ASP 50 H ASP 50 6.587 7.687 0.764 396 HA ASP 50 HA ASP 50 6.674 9.660 2.821 397 HB2 ASP 50 HB2 ASP 50 8.775 8.068 1.341 398 HB3 ASP 50 HB3 ASP 50 9.306 9.464 2.273 399 H GLU 51 H GLU 51 7.492 9.734 -0.641 400 HA GLU 51 HA GLU 51 8.631 12.384 -0.539 401 HB2 GLU 51 HB2 GLU 51 7.746 10.717 -2.941 402 HB3 GLU 51 HB3 GLU 51 8.664 12.221 -3.033 403 HG2 GLU 51 HG2 GLU 51 9.591 9.611 -1.801 404 HG3 GLU 51 HG3 GLU 51 10.144 10.306 -3.321 405 H THR 52 H THR 52 5.453 11.061 -1.063 406 HA THR 52 HA THR 52 4.401 13.441 -2.346 407 HB THR 52 HB THR 52 2.991 10.902 -1.421 408 HG1 THR 52 HG1 THR 52 4.661 10.844 -3.187 409 HG21 THR 52 HG21 THR 52 1.167 11.597 -2.926 410 HG22 THR 52 HG22 THR 52 2.019 13.101 -3.283 411 HG23 THR 52 HG23 THR 52 1.411 12.798 -1.653 412 H ASN 53 H ASN 53 3.983 15.137 -1.158 413 HA ASN 53 HA ASN 53 2.708 14.940 1.503 414 HB2 ASN 53 HB2 ASN 53 4.281 17.186 0.188 415 HB3 ASN 53 HB3 ASN 53 3.280 17.459 1.613 416 HD21 ASN 53 HD21 ASN 53 4.962 17.997 2.942 417 HD22 ASN 53 HD22 ASN 53 6.151 16.868 3.482 418 H ASP 54 H ASP 54 1.741 14.906 -1.506 419 HA ASP 54 HA ASP 54 -0.447 16.845 -1.372 420 HB2 ASP 54 HB2 ASP 54 0.845 16.357 -3.518 421 HB3 ASP 54 HB3 ASP 54 0.141 14.746 -3.516 422 H SER 55 H SER 55 -2.487 16.288 -0.796 423 HA SER 55 HA SER 55 -2.993 13.911 0.665 424 HB2 SER 55 HB2 SER 55 -5.342 14.853 0.807 425 HB3 SER 55 HB3 SER 55 -4.079 15.989 1.292 426 HG SER 55 HG SER 55 -5.589 15.945 -1.100 427 H ASP 56 H ASP 56 -4.193 15.075 -2.487 428 HA ASP 56 HA ASP 56 -5.995 12.918 -2.954 429 HB2 ASP 56 HB2 ASP 56 -4.815 15.002 -4.841 430 HB3 ASP 56 HB3 ASP 56 -6.096 13.876 -5.299 431 H ALA 57 H ALA 57 -2.655 13.533 -3.847 432 HA ALA 57 HA ALA 57 -2.352 11.383 -5.697 433 HB1 ALA 57 HB1 ALA 57 0.067 11.829 -5.491 434 HB2 ALA 57 HB2 ALA 57 -0.247 12.905 -4.127 435 HB3 ALA 57 HB3 ALA 57 -0.850 13.318 -5.734 436 H LEU 58 H LEU 58 -1.934 11.698 -2.170 437 HA LEU 58 HA LEU 58 -0.950 9.038 -1.766 438 HB2 LEU 58 HB2 LEU 58 -2.180 11.083 0.103 439 HB3 LEU 58 HB3 LEU 58 -1.833 9.453 0.659 440 HG LEU 58 HG LEU 58 0.207 11.481 -0.334 441 HD11 LEU 58 HD11 LEU 58 -0.626 11.938 1.924 442 HD12 LEU 58 HD12 LEU 58 1.053 11.401 1.970 443 HD13 LEU 58 HD13 LEU 58 -0.244 10.285 2.417 444 HD21 LEU 58 HD21 LEU 58 0.639 8.621 0.594 445 HD22 LEU 58 HD22 LEU 58 1.910 9.798 0.244 446 HD23 LEU 58 HD23 LEU 58 0.859 9.231 -1.050 447 H LEU 59 H LEU 59 -4.191 10.467 -1.941 448 HA LEU 59 HA LEU 59 -5.693 8.182 -1.186 449 HB2 LEU 59 HB2 LEU 59 -6.416 10.457 -3.087 450 HB3 LEU 59 HB3 LEU 59 -7.566 9.266 -2.494 451 HG LEU 59 HG LEU 59 -6.065 11.262 -0.748 452 HD11 LEU 59 HD11 LEU 59 -8.967 11.287 -1.632 453 HD12 LEU 59 HD12 LEU 59 -7.697 12.393 -2.167 454 HD13 LEU 59 HD13 LEU 59 -8.216 12.404 -0.485 455 HD21 LEU 59 HD21 LEU 59 -8.266 9.301 -0.005 456 HD22 LEU 59 HD22 LEU 59 -7.570 10.533 1.053 457 HD23 LEU 59 HD23 LEU 59 -6.568 9.205 0.479 458 H GLU 60 H GLU 60 -4.223 9.187 -4.229 459 HA GLU 60 HA GLU 60 -5.326 7.164 -5.918 460 HB2 GLU 60 HB2 GLU 60 -4.435 9.243 -6.857 461 HB3 GLU 60 HB3 GLU 60 -2.837 8.893 -6.206 462 HG2 GLU 60 HG2 GLU 60 -2.729 6.873 -7.691 463 HG3 GLU 60 HG3 GLU 60 -4.272 7.352 -8.398 464 H LEU 61 H LEU 61 -2.201 7.536 -4.213 465 HA LEU 61 HA LEU 61 -1.029 5.083 -4.951 466 HB2 LEU 61 HB2 LEU 61 -0.600 6.817 -2.487 467 HB3 LEU 61 HB3 LEU 61 0.378 5.398 -2.837 468 HG LEU 61 HG LEU 61 0.201 7.873 -4.601 469 HD11 LEU 61 HD11 LEU 61 1.353 8.363 -2.505 470 HD12 LEU 61 HD12 LEU 61 2.480 8.364 -3.858 471 HD13 LEU 61 HD13 LEU 61 2.432 6.986 -2.754 472 HD21 LEU 61 HD21 LEU 61 1.963 5.409 -4.851 473 HD22 LEU 61 HD22 LEU 61 2.113 6.876 -5.821 474 HD23 LEU 61 HD23 LEU 61 0.658 5.889 -5.942 475 H GLU 62 H GLU 62 -3.190 5.986 -2.325 476 HA GLU 62 HA GLU 62 -3.110 3.520 -0.879 477 HB2 GLU 62 HB2 GLU 62 -3.776 5.783 0.066 478 HB3 GLU 62 HB3 GLU 62 -5.284 5.667 -0.839 479 HG2 GLU 62 HG2 GLU 62 -5.739 3.503 0.432 480 HG3 GLU 62 HG3 GLU 62 -4.350 3.906 1.442 481 H ASN 63 H ASN 63 -5.132 4.860 -3.466 482 HA ASN 63 HA ASN 63 -7.166 2.889 -3.516 483 HB2 ASN 63 HB2 ASN 63 -7.203 5.161 -4.687 484 HB3 ASN 63 HB3 ASN 63 -6.135 4.484 -5.907 485 HD21 ASN 63 HD21 ASN 63 -8.817 5.580 -6.207 486 HD22 ASN 63 HD22 ASN 63 -9.783 4.330 -6.902 487 H GLN 64 H GLN 64 -4.131 3.241 -5.359 488 HA GLN 64 HA GLN 64 -4.265 0.719 -6.682 489 HB2 GLN 64 HB2 GLN 64 -2.170 2.859 -6.370 490 HB3 GLN 64 HB3 GLN 64 -1.625 1.272 -6.893 491 HG2 GLN 64 HG2 GLN 64 -2.010 2.738 -8.808 492 HG3 GLN 64 HG3 GLN 64 -3.100 1.354 -8.831 493 HE21 GLN 64 HE21 GLN 64 -2.862 4.803 -8.433 494 HE22 GLN 64 HE22 GLN 64 -4.548 5.144 -8.562 495 H PHE 65 H PHE 65 -3.040 1.701 -3.549 496 HA PHE 65 HA PHE 65 -1.417 -0.603 -3.059 497 HB2 PHE 65 HB2 PHE 65 -0.785 1.193 -1.715 498 HB3 PHE 65 HB3 PHE 65 -2.434 1.736 -1.467 499 HD1 PHE 65 HD1 PHE 65 -3.080 1.728 0.751 500 HD2 PHE 65 HD2 PHE 65 -0.461 -1.376 -0.625 501 HE1 PHE 65 HE1 PHE 65 -3.077 0.729 2.985 502 HE2 PHE 65 HE2 PHE 65 -0.483 -2.366 1.615 503 HZ PHE 65 HZ PHE 65 -1.791 -1.326 3.414 504 H ASN 66 H ASN 66 -4.729 0.307 -2.088 505 HA ASN 66 HA ASN 66 -5.289 -2.127 -0.705 506 HB2 ASN 66 HB2 ASN 66 -7.027 0.187 -1.627 507 HB3 ASN 66 HB3 ASN 66 -7.776 -1.283 -1.017 508 HD21 ASN 66 HD21 ASN 66 -5.961 1.556 -0.148 509 HD22 ASN 66 HD22 ASN 66 -6.075 1.349 1.558 510 H GLU 67 H GLU 67 -5.657 -1.021 -4.036 511 HA GLU 67 HA GLU 67 -7.349 -3.192 -4.864 512 HB2 GLU 67 HB2 GLU 67 -7.257 -0.939 -6.001 513 HB3 GLU 67 HB3 GLU 67 -5.667 -1.360 -6.625 514 HG2 GLU 67 HG2 GLU 67 -7.410 -1.700 -8.322 515 HG3 GLU 67 HG3 GLU 67 -6.632 -3.229 -7.901 516 H THR 68 H THR 68 -3.828 -2.512 -5.211 517 HA THR 68 HA THR 68 -3.083 -4.797 -6.638 518 HB THR 68 HB THR 68 -1.493 -3.186 -4.590 519 HG1 THR 68 HG1 THR 68 -1.245 -1.905 -6.233 520 HG21 THR 68 HG21 THR 68 0.561 -4.224 -5.503 521 HG22 THR 68 HG22 THR 68 -0.422 -5.294 -6.506 522 HG23 THR 68 HG23 THR 68 -0.479 -5.442 -4.750 523 H ASN 69 H ASN 69 -3.243 -4.228 -3.131 524 HA ASN 69 HA ASN 69 -2.463 -6.809 -2.303 525 HB2 ASN 69 HB2 ASN 69 -2.299 -4.866 -0.829 526 HB3 ASN 69 HB3 ASN 69 -4.047 -4.641 -0.865 527 HD21 ASN 69 HD21 ASN 69 -1.568 -7.044 0.006 528 HD22 ASN 69 HD22 ASN 69 -2.425 -7.671 1.373 529 H ARG 70 H ARG 70 -5.644 -5.408 -2.980 530 HA ARG 70 HA ARG 70 -7.364 -7.474 -2.151 531 HB2 ARG 70 HB2 ARG 70 -8.126 -5.229 -2.789 532 HB3 ARG 70 HB3 ARG 70 -7.564 -5.470 -4.435 533 HG2 ARG 70 HG2 ARG 70 -9.320 -7.202 -4.767 534 HG3 ARG 70 HG3 ARG 70 -9.895 -6.909 -3.117 535 HD2 ARG 70 HD2 ARG 70 -10.331 -4.537 -3.705 536 HD3 ARG 70 HD3 ARG 70 -9.785 -4.851 -5.355 537 HE ARG 70 HE ARG 70 -11.970 -6.531 -4.503 538 HH11 ARG 70 HH11 ARG 70 -11.141 -3.428 -5.950 539 HH12 ARG 70 HH12 ARG 70 -12.687 -3.231 -6.706 540 HH21 ARG 70 HH21 ARG 70 -14.003 -6.250 -5.483 541 HH22 ARG 70 HH22 ARG 70 -14.308 -4.834 -6.442 542 H LEU 71 H LEU 71 -5.873 -6.856 -5.326 543 HA LEU 71 HA LEU 71 -6.933 -9.137 -6.648 544 HB2 LEU 71 HB2 LEU 71 -4.542 -7.389 -7.367 545 HB3 LEU 71 HB3 LEU 71 -5.266 -8.584 -8.438 546 HG LEU 71 HG LEU 71 -6.599 -6.042 -7.423 547 HD11 LEU 71 HD11 LEU 71 -4.919 -5.594 -9.125 548 HD12 LEU 71 HD12 LEU 71 -6.538 -5.308 -9.758 549 HD13 LEU 71 HD13 LEU 71 -5.661 -6.775 -10.207 550 HD21 LEU 71 HD21 LEU 71 -8.260 -7.818 -7.615 551 HD22 LEU 71 HD22 LEU 71 -7.737 -8.165 -9.266 552 HD23 LEU 71 HD23 LEU 71 -8.487 -6.612 -8.880 553 H LEU 72 H LEU 72 -4.023 -8.526 -4.777 554 HA LEU 72 HA LEU 72 -2.598 -10.910 -5.315 555 HB2 LEU 72 HB2 LEU 72 -2.627 -8.951 -3.016 556 HB3 LEU 72 HB3 LEU 72 -1.689 -10.425 -2.881 557 HG LEU 72 HG LEU 72 -1.277 -8.357 -5.062 558 HD11 LEU 72 HD11 LEU 72 -0.757 -7.402 -2.888 559 HD12 LEU 72 HD12 LEU 72 0.730 -7.705 -3.791 560 HD13 LEU 72 HD13 LEU 72 0.248 -8.794 -2.480 561 HD21 LEU 72 HD21 LEU 72 -0.576 -10.603 -5.736 562 HD22 LEU 72 HD22 LEU 72 0.362 -10.791 -4.248 563 HD23 LEU 72 HD23 LEU 72 0.831 -9.584 -5.448 564 H HIS 73 H HIS 73 -4.996 -10.073 -2.785 565 HA HIS 73 HA HIS 73 -4.811 -12.519 -1.363 566 HB2 HIS 73 HB2 HIS 73 -6.981 -10.384 -1.424 567 HB3 HIS 73 HB3 HIS 73 -7.137 -11.831 -0.434 568 HD1 HIS 73 HD1 HIS 73 -4.790 -12.160 1.156 569 HD2 HIS 73 HD2 HIS 73 -5.944 -8.344 0.042 570 HE1 HIS 73 HE1 HIS 73 -3.649 -10.605 2.757 571 HE2 HIS 73 HE2 HIS 73 -4.606 -8.341 2.222 572 H ILE 74 H ILE 74 -6.710 -11.560 -4.165 573 HA ILE 74 HA ILE 74 -8.235 -14.016 -4.288 574 HB ILE 74 HB ILE 74 -7.792 -11.924 -6.470 575 HG12 ILE 74 HG12 ILE 74 -10.050 -12.143 -4.414 576 HG13 ILE 74 HG13 ILE 74 -8.774 -10.937 -4.401 577 HG21 ILE 74 HG21 ILE 74 -9.867 -12.836 -7.476 578 HG22 ILE 74 HG22 ILE 74 -9.951 -14.060 -6.208 579 HG23 ILE 74 HG23 ILE 74 -8.618 -14.079 -7.365 580 HD11 ILE 74 HD11 ILE 74 -9.627 -10.014 -6.497 581 HD12 ILE 74 HD12 ILE 74 -10.837 -10.004 -5.216 582 HD13 ILE 74 HD13 ILE 74 -10.924 -11.213 -6.497 583 H LYS 75 H LYS 75 -5.378 -12.708 -6.012 584 HA LYS 75 HA LYS 75 -5.072 -14.727 -7.970 585 HB2 LYS 75 HB2 LYS 75 -4.031 -12.563 -8.286 586 HB3 LYS 75 HB3 LYS 75 -3.152 -12.697 -6.768 587 HG2 LYS 75 HG2 LYS 75 -1.828 -14.601 -7.804 588 HG3 LYS 75 HG3 LYS 75 -2.607 -14.220 -9.343 589 HD2 LYS 75 HD2 LYS 75 -0.902 -12.293 -7.709 590 HD3 LYS 75 HD3 LYS 75 -0.339 -13.202 -9.110 591 HE2 LYS 75 HE2 LYS 75 -2.582 -11.145 -9.177 592 HE3 LYS 75 HE3 LYS 75 -0.910 -10.839 -9.649 593 HZ1 LYS 75 HZ1 LYS 75 -1.141 -12.549 -11.372 594 HZ2 LYS 75 HZ2 LYS 75 -2.258 -11.294 -11.571 595 HZ3 LYS 75 HZ3 LYS 75 -2.761 -12.773 -10.936 596 H GLN 76 H GLN 76 -3.299 -14.164 -4.972 597 HA GLN 76 HA GLN 76 -1.666 -16.435 -4.956 598 HB2 GLN 76 HB2 GLN 76 -1.070 -14.515 -3.628 599 HB3 GLN 76 HB3 GLN 76 -2.603 -14.541 -2.769 600 HG2 GLN 76 HG2 GLN 76 -1.964 -16.539 -1.562 601 HG3 GLN 76 HG3 GLN 76 -0.490 -16.692 -2.521 602 HE21 GLN 76 HE21 GLN 76 -2.088 -14.872 0.013 603 HE22 GLN 76 HE22 GLN 76 -0.662 -14.122 0.640 604 H HIS 77 H HIS 77 -4.896 -15.810 -3.642 605 HA HIS 77 HA HIS 77 -5.275 -18.137 -2.107 606 HB2 HIS 77 HB2 HIS 77 -6.778 -16.246 -1.891 607 HB3 HIS 77 HB3 HIS 77 -7.246 -16.347 -3.580 608 HD1 HIS 77 HD1 HIS 77 -7.721 -18.133 -0.289 609 HD2 HIS 77 HD2 HIS 77 -9.405 -17.978 -4.070 610 HE1 HIS 77 HE1 HIS 77 -9.908 -19.329 -0.096 611 HE2 HIS 77 HE2 HIS 77 -10.775 -19.439 -2.451 612 H GLU 78 H GLU 78 -6.072 -17.440 -5.530 613 HA GLU 78 HA GLU 78 -7.362 -19.877 -6.105 614 HB2 GLU 78 HB2 GLU 78 -5.911 -17.972 -7.995 615 HB3 GLU 78 HB3 GLU 78 -6.956 -19.290 -8.520 616 HG2 GLU 78 HG2 GLU 78 -7.844 -16.909 -6.859 617 HG3 GLU 78 HG3 GLU 78 -8.070 -17.082 -8.596 618 H GLU 79 H GLU 79 -3.990 -18.922 -6.202 619 HA GLU 79 HA GLU 79 -2.915 -21.251 -7.404 620 HB2 GLU 79 HB2 GLU 79 -1.643 -19.241 -5.504 621 HB3 GLU 79 HB3 GLU 79 -0.749 -20.460 -6.414 622 HG2 GLU 79 HG2 GLU 79 -1.500 -19.422 -8.533 623 HG3 GLU 79 HG3 GLU 79 -2.392 -18.204 -7.622 624 H VAL 80 H VAL 80 -3.504 -20.318 -4.014 625 HA VAL 80 HA VAL 80 -2.405 -22.655 -2.804 626 HB VAL 80 HB VAL 80 -4.376 -20.593 -1.682 627 HG11 VAL 80 HG11 VAL 80 -4.474 -22.670 -0.345 628 HG12 VAL 80 HG12 VAL 80 -3.713 -21.368 0.570 629 HG13 VAL 80 HG13 VAL 80 -2.718 -22.636 -0.151 630 HG21 VAL 80 HG21 VAL 80 -1.355 -20.793 -1.343 631 HG22 VAL 80 HG22 VAL 80 -2.398 -19.571 -0.609 632 HG23 VAL 80 HG23 VAL 80 -2.196 -19.625 -2.360 633 H GLU 81 H GLU 81 -5.604 -21.890 -4.121 634 HA GLU 81 HA GLU 81 -7.009 -24.123 -2.998 635 HB2 GLU 81 HB2 GLU 81 -7.716 -22.713 -5.609 636 HB3 GLU 81 HB3 GLU 81 -8.783 -23.684 -4.602 637 HG2 GLU 81 HG2 GLU 81 -7.661 -20.947 -3.992 638 HG3 GLU 81 HG3 GLU 81 -9.334 -21.353 -4.338 639 H LYS 82 H LYS 82 -5.186 -23.560 -5.959 640 HA LYS 82 HA LYS 82 -5.539 -26.073 -7.173 641 HB2 LYS 82 HB2 LYS 82 -4.644 -24.146 -8.414 642 HB3 LYS 82 HB3 LYS 82 -3.222 -24.095 -7.387 643 HG2 LYS 82 HG2 LYS 82 -3.793 -26.596 -8.973 644 HG3 LYS 82 HG3 LYS 82 -3.135 -25.190 -9.810 645 HD2 LYS 82 HD2 LYS 82 -1.121 -25.230 -8.499 646 HD3 LYS 82 HD3 LYS 82 -1.806 -26.373 -7.343 647 HE2 LYS 82 HE2 LYS 82 -0.208 -27.485 -8.815 648 HE3 LYS 82 HE3 LYS 82 -1.831 -28.122 -9.074 649 HZ1 LYS 82 HZ1 LYS 82 -2.019 -26.800 -11.065 650 HZ2 LYS 82 HZ2 LYS 82 -0.616 -27.732 -11.151 651 HZ3 LYS 82 HZ3 LYS 82 -0.516 -26.087 -10.790 652 H ASP 83 H ASP 83 -3.082 -24.831 -4.878 653 HA ASP 83 HA ASP 83 -1.513 -27.176 -4.664 654 HB2 ASP 83 HB2 ASP 83 -1.909 -24.913 -2.662 655 HB3 ASP 83 HB3 ASP 83 -0.692 -26.177 -2.485 656 H LYS 84 H LYS 84 -4.459 -26.181 -3.105 657 HA LYS 84 HA LYS 84 -4.605 -27.953 -0.919 658 HB2 LYS 84 HB2 LYS 84 -6.069 -25.876 -1.572 659 HB3 LYS 84 HB3 LYS 84 -7.015 -27.012 -2.522 660 HG2 LYS 84 HG2 LYS 84 -7.367 -28.329 -0.355 661 HG3 LYS 84 HG3 LYS 84 -6.634 -26.962 0.488 662 HD2 LYS 84 HD2 LYS 84 -9.256 -27.059 -1.030 663 HD3 LYS 84 HD3 LYS 84 -8.982 -26.611 0.653 664 HE2 LYS 84 HE2 LYS 84 -8.265 -24.989 -1.814 665 HE3 LYS 84 HE3 LYS 84 -9.508 -24.621 -0.623 666 HZ1 LYS 84 HZ1 LYS 84 -7.512 -23.277 -0.335 667 HZ2 LYS 84 HZ2 LYS 84 -6.586 -24.668 -0.078 668 HZ3 LYS 84 HZ3 LYS 84 -7.797 -24.244 1.018 669 H LYS 85 H LYS 85 -5.575 -28.209 -4.296 670 HA LYS 85 HA LYS 85 -6.508 -30.995 -3.967 671 HB2 LYS 85 HB2 LYS 85 -7.036 -28.997 -6.214 672 HB3 LYS 85 HB3 LYS 85 -7.701 -30.630 -6.109 673 HG2 LYS 85 HG2 LYS 85 -8.794 -29.933 -3.925 674 HG3 LYS 85 HG3 LYS 85 -8.298 -28.274 -4.288 675 HD2 LYS 85 HD2 LYS 85 -9.674 -28.233 -6.287 676 HD3 LYS 85 HD3 LYS 85 -10.016 -29.961 -6.154 677 HE2 LYS 85 HE2 LYS 85 -11.194 -29.493 -3.984 678 HE3 LYS 85 HE3 LYS 85 -10.970 -27.767 -4.286 679 HZ1 LYS 85 HZ1 LYS 85 -12.427 -29.632 -6.083 680 HZ2 LYS 85 HZ2 LYS 85 -12.280 -27.960 -6.275 681 HZ3 LYS 85 HZ3 LYS 85 -13.154 -28.583 -4.973 682 H ALA 86 H ALA 86 -3.699 -29.533 -4.687 683 HA ALA 86 HA ALA 86 -2.896 -30.887 -7.101 684 HB1 ALA 86 HB1 ALA 86 -1.167 -29.516 -5.017 685 HB2 ALA 86 HB2 ALA 86 -1.903 -28.727 -6.412 686 HB3 ALA 86 HB3 ALA 86 -0.684 -29.975 -6.653 687 H LYS 87 H LYS 87 -3.592 -32.967 -6.524 688 HA LYS 87 HA LYS 87 -2.419 -34.547 -4.415 689 HB2 LYS 87 HB2 LYS 87 -4.752 -34.822 -5.415 690 HB3 LYS 87 HB3 LYS 87 -4.001 -35.430 -6.880 691 HG2 LYS 87 HG2 LYS 87 -4.817 -37.293 -5.619 692 HG3 LYS 87 HG3 LYS 87 -3.054 -37.335 -5.537 693 HD2 LYS 87 HD2 LYS 87 -3.066 -36.511 -3.269 694 HD3 LYS 87 HD3 LYS 87 -4.788 -36.124 -3.350 695 HE2 LYS 87 HE2 LYS 87 -4.367 -38.183 -2.049 696 HE3 LYS 87 HE3 LYS 87 -5.350 -38.508 -3.474 697 HZ1 LYS 87 HZ1 LYS 87 -3.703 -40.206 -3.243 698 HZ2 LYS 87 HZ2 LYS 87 -2.452 -39.076 -3.144 699 HZ3 LYS 87 HZ3 LYS 87 -3.292 -39.274 -4.593 700 H GLN 88 H GLN 88 -2.153 -34.312 -7.939 701 HA GLN 88 HA GLN 88 0.586 -35.446 -7.844 702 HB2 GLN 88 HB2 GLN 88 -1.372 -35.215 -10.184 703 HB3 GLN 88 HB3 GLN 88 0.295 -35.772 -10.319 704 HG2 GLN 88 HG2 GLN 88 -0.229 -37.689 -8.832 705 HG3 GLN 88 HG3 GLN 88 -1.901 -37.144 -8.724 706 HE21 GLN 88 HE21 GLN 88 -0.793 -39.677 -9.728 707 HE22 GLN 88 HE22 GLN 88 -1.373 -39.845 -11.348 708 H GLN 89 H GLN 89 1.729 -33.660 -7.344 709 HA GLN 89 HA GLN 89 1.059 -31.066 -8.611 710 HB2 GLN 89 HB2 GLN 89 1.945 -29.957 -6.642 711 HB3 GLN 89 HB3 GLN 89 0.711 -31.106 -6.167 712 HG2 GLN 89 HG2 GLN 89 3.692 -31.539 -5.882 713 HG3 GLN 89 HG3 GLN 89 2.630 -30.969 -4.604 714 HE21 GLN 89 HE21 GLN 89 1.101 -32.435 -3.725 715 HE22 GLN 89 HE22 GLN 89 1.342 -34.142 -3.830 716 H LYS 90 H LYS 90 2.615 -29.818 -9.500 717 HA LYS 90 HA LYS 90 5.038 -31.040 -10.433 718 HB2 LYS 90 HB2 LYS 90 3.651 -28.404 -10.919 719 HB3 LYS 90 HB3 LYS 90 5.356 -28.503 -11.299 720 HG2 LYS 90 HG2 LYS 90 4.278 -28.893 -13.334 721 HG3 LYS 90 HG3 LYS 90 4.797 -30.485 -12.800 722 HD2 LYS 90 HD2 LYS 90 1.967 -29.484 -12.346 723 HD3 LYS 90 HD3 LYS 90 2.449 -30.225 -13.868 724 HE2 LYS 90 HE2 LYS 90 2.462 -31.545 -11.134 725 HE3 LYS 90 HE3 LYS 90 1.347 -31.871 -12.459 726 HZ1 LYS 90 HZ1 LYS 90 3.150 -32.753 -13.747 727 HZ2 LYS 90 HZ2 LYS 90 3.109 -33.536 -12.251 728 HZ3 LYS 90 HZ3 LYS 90 4.271 -32.353 -12.555 729 H THR 91 H THR 91 4.265 -28.343 -8.251 730 HA THR 91 HA THR 91 5.313 -27.317 -6.550 731 HB THR 91 HB THR 91 7.302 -29.640 -6.538 732 HG1 THR 91 HG1 THR 91 4.791 -29.301 -5.231 733 HG21 THR 91 HG21 THR 91 7.627 -29.069 -4.149 734 HG22 THR 91 HG22 THR 91 6.531 -27.695 -4.318 735 HG23 THR 91 HG23 THR 91 8.070 -27.703 -5.181 736 H LEU 92 H LEU 92 6.164 -25.440 -7.215 737 HA LEU 92 HA LEU 92 8.088 -25.043 -9.249 738 HB2 LEU 92 HB2 LEU 92 6.403 -23.355 -8.543 739 HB3 LEU 92 HB3 LEU 92 7.209 -23.183 -6.995 740 HG LEU 92 HG LEU 92 9.231 -22.251 -8.214 741 HD11 LEU 92 HD11 LEU 92 8.878 -23.249 -10.413 742 HD12 LEU 92 HD12 LEU 92 9.005 -21.496 -10.535 743 HD13 LEU 92 HD13 LEU 92 7.423 -22.275 -10.647 744 HD21 LEU 92 HD21 LEU 92 6.639 -20.729 -8.634 745 HD22 LEU 92 HD22 LEU 92 8.264 -20.032 -8.630 746 HD23 LEU 92 HD23 LEU 92 7.611 -20.751 -7.159 747 H LYS 93 H LYS 93 10.304 -24.288 -9.090 748 HA LYS 93 HA LYS 93 11.905 -25.549 -7.073 749 HB2 LYS 93 HB2 LYS 93 12.661 -23.600 -9.295 750 HB3 LYS 93 HB3 LYS 93 13.839 -24.369 -8.235 751 HG2 LYS 93 HG2 LYS 93 11.962 -25.817 -10.136 752 HG3 LYS 93 HG3 LYS 93 13.672 -25.500 -10.422 753 HD2 LYS 93 HD2 LYS 93 12.575 -27.214 -8.148 754 HD3 LYS 93 HD3 LYS 93 13.216 -27.841 -9.667 755 HE2 LYS 93 HE2 LYS 93 15.426 -26.830 -9.126 756 HE3 LYS 93 HE3 LYS 93 14.773 -26.268 -7.586 757 HZ1 LYS 93 HZ1 LYS 93 14.975 -29.107 -8.433 758 HZ2 LYS 93 HZ2 LYS 93 14.392 -28.559 -6.947 759 HZ3 LYS 93 HZ3 LYS 93 16.016 -28.330 -7.351 760 H GLN 94 H GLN 94 10.929 -24.613 -5.240 761 HA GLN 94 HA GLN 94 12.390 -22.539 -4.021 762 HB2 GLN 94 HB2 GLN 94 10.834 -21.119 -5.416 763 HB3 GLN 94 HB3 GLN 94 9.456 -21.873 -4.618 764 HG2 GLN 94 HG2 GLN 94 10.116 -20.895 -2.476 765 HG3 GLN 94 HG3 GLN 94 11.589 -20.242 -3.192 766 HE21 GLN 94 HE21 GLN 94 11.426 -18.466 -4.633 767 HE22 GLN 94 HE22 GLN 94 10.020 -17.462 -4.667 768 H SER 95 H SER 95 12.612 -24.583 -2.872 769 HA SER 95 HA SER 95 10.421 -25.600 -1.277 770 HB2 SER 95 HB2 SER 95 12.233 -27.135 -2.017 771 HB3 SER 95 HB3 SER 95 13.417 -26.200 -1.104 772 HG SER 95 HG SER 95 12.100 -28.212 -0.207 773 H ASP 96 H ASP 96 9.855 -23.516 -0.406 774 HA ASP 96 HA ASP 96 11.616 -22.345 1.621 775 HB2 ASP 96 HB2 ASP 96 10.209 -20.969 -0.085 776 HB3 ASP 96 HB3 ASP 96 8.803 -21.416 0.870 777 H THR 97 H THR 97 10.859 -22.067 3.808 778 HA THR 97 HA THR 97 9.691 -24.427 4.934 779 HB THR 97 HB THR 97 9.996 -23.224 7.125 780 HG1 THR 97 HG1 THR 97 9.653 -21.084 6.502 781 HG21 THR 97 HG21 THR 97 11.885 -24.514 6.161 782 HG22 THR 97 HG22 THR 97 12.465 -23.095 7.037 783 HG23 THR 97 HG23 THR 97 12.413 -23.079 5.273 784 H LYS 98 H LYS 98 8.334 -21.524 3.762 785 HA LYS 98 HA LYS 98 6.031 -21.259 5.409 786 HB2 LYS 98 HB2 LYS 98 6.909 -19.416 3.976 787 HB3 LYS 98 HB3 LYS 98 6.518 -20.340 2.540 788 HG2 LYS 98 HG2 LYS 98 4.843 -18.679 2.724 789 HG3 LYS 98 HG3 LYS 98 4.068 -20.182 3.213 790 HD2 LYS 98 HD2 LYS 98 5.185 -18.222 5.254 791 HD3 LYS 98 HD3 LYS 98 3.576 -18.021 4.569 792 HE2 LYS 98 HE2 LYS 98 4.529 -20.431 6.156 793 HE3 LYS 98 HE3 LYS 98 3.479 -19.143 6.748 794 HZ1 LYS 98 HZ1 LYS 98 2.818 -20.999 4.522 795 HZ2 LYS 98 HZ2 LYS 98 1.823 -19.778 5.126 796 HZ3 LYS 98 HZ3 LYS 98 2.220 -21.100 6.101 797 H VAL 99 H VAL 99 5.225 -23.367 5.617 798 HA VAL 99 HA VAL 99 3.905 -24.585 3.301 799 HB VAL 99 HB VAL 99 5.183 -26.121 4.715 800 HG11 VAL 99 HG11 VAL 99 3.334 -25.410 7.017 801 HG12 VAL 99 HG12 VAL 99 5.051 -25.019 6.899 802 HG13 VAL 99 HG13 VAL 99 4.538 -26.704 7.023 803 HG21 VAL 99 HG21 VAL 99 2.197 -26.632 4.917 804 HG22 VAL 99 HG22 VAL 99 3.459 -27.857 5.079 805 HG23 VAL 99 HG23 VAL 99 3.236 -27.018 3.543 Start of MODEL 4 1 H2 GLY 1 H2 GLY 1 -15.093 7.452 -9.439 2 H GLY 1 H1 GLY 1 -14.903 7.637 -7.766 3 H3 GLY 1 H3 GLY 1 -14.897 8.988 -8.776 4 HA2 GLY 1 HA2 GLY 1 -12.851 6.844 -8.732 5 HA3 GLY 1 HA3 GLY 1 -12.857 8.203 -9.843 6 H VAL 2 H VAL 2 -11.817 10.057 -9.205 7 HA VAL 2 HA VAL 2 -11.323 10.575 -6.345 8 HB VAL 2 HB VAL 2 -9.352 9.268 -7.124 9 HG11 VAL 2 HG11 VAL 2 -7.769 10.156 -8.793 10 HG12 VAL 2 HG12 VAL 2 -8.856 11.509 -9.120 11 HG13 VAL 2 HG13 VAL 2 -9.355 9.861 -9.513 12 HG21 VAL 2 HG21 VAL 2 -8.669 12.178 -6.561 13 HG22 VAL 2 HG22 VAL 2 -7.574 10.807 -6.355 14 HG23 VAL 2 HG23 VAL 2 -9.021 10.939 -5.353 15 H GLU 3 H GLU 3 -11.116 12.753 -5.855 16 HA GLU 3 HA GLU 3 -12.103 14.715 -7.673 17 HB2 GLU 3 HB2 GLU 3 -10.746 15.009 -4.961 18 HB3 GLU 3 HB3 GLU 3 -11.525 16.335 -5.823 19 HG2 GLU 3 HG2 GLU 3 -12.943 13.818 -4.872 20 HG3 GLU 3 HG3 GLU 3 -12.905 15.342 -3.986 21 H LYS 4 H LYS 4 -8.909 13.974 -6.360 22 HA LYS 4 HA LYS 4 -6.789 14.524 -6.847 23 HB2 LYS 4 HB2 LYS 4 -7.702 13.590 -9.161 24 HB3 LYS 4 HB3 LYS 4 -7.559 15.257 -9.692 25 HG2 LYS 4 HG2 LYS 4 -5.561 14.063 -10.350 26 HG3 LYS 4 HG3 LYS 4 -5.136 15.213 -9.073 27 HD2 LYS 4 HD2 LYS 4 -5.226 13.355 -7.397 28 HD3 LYS 4 HD3 LYS 4 -5.609 12.218 -8.695 29 HE2 LYS 4 HE2 LYS 4 -3.405 12.806 -9.756 30 HE3 LYS 4 HE3 LYS 4 -3.040 13.786 -8.331 31 HZ1 LYS 4 HZ1 LYS 4 -3.156 11.843 -6.965 32 HZ2 LYS 4 HZ2 LYS 4 -2.099 11.525 -8.249 33 HZ3 LYS 4 HZ3 LYS 4 -3.665 10.889 -8.264 34 H THR 5 H THR 5 -7.917 16.333 -5.459 35 HA THR 5 HA THR 5 -8.526 18.866 -6.496 36 HB THR 5 HB THR 5 -7.716 18.278 -3.612 37 HG1 THR 5 HG1 THR 5 -9.175 16.726 -3.940 38 HG21 THR 5 HG21 THR 5 -9.420 19.969 -3.055 39 HG22 THR 5 HG22 THR 5 -9.786 20.190 -4.768 40 HG23 THR 5 HG23 THR 5 -8.204 20.658 -4.137 41 H ALA 6 H ALA 6 -7.300 20.619 -6.927 42 HA ALA 6 HA ALA 6 -4.457 20.773 -6.260 43 HB1 ALA 6 HB1 ALA 6 -5.203 21.531 -8.491 44 HB2 ALA 6 HB2 ALA 6 -4.498 22.867 -7.578 45 HB3 ALA 6 HB3 ALA 6 -6.251 22.739 -7.743 46 H GLY 7 H GLY 7 -3.576 22.361 -4.859 47 HA2 GLY 7 HA2 GLY 7 -5.202 23.342 -2.684 48 HA3 GLY 7 HA3 GLY 7 -3.500 23.683 -2.958 49 H GLU 8 H GLU 8 -5.836 25.485 -2.247 50 HA GLU 8 HA GLU 8 -5.477 27.532 -4.345 51 HB2 GLU 8 HB2 GLU 8 -7.626 26.057 -4.664 52 HB3 GLU 8 HB3 GLU 8 -8.260 26.915 -3.267 53 HG2 GLU 8 HG2 GLU 8 -7.303 28.326 -5.779 54 HG3 GLU 8 HG3 GLU 8 -8.954 27.749 -5.581 55 H THR 9 H THR 9 -7.935 27.941 -1.837 56 HA THR 9 HA THR 9 -6.038 28.945 0.147 57 HB THR 9 HB THR 9 -7.599 30.986 0.554 58 HG1 THR 9 HG1 THR 9 -8.295 30.438 -2.149 59 HG21 THR 9 HG21 THR 9 -6.421 32.441 -1.046 60 HG22 THR 9 HG22 THR 9 -5.872 31.032 -1.951 61 HG23 THR 9 HG23 THR 9 -5.301 31.299 -0.301 62 H SER 10 H SER 10 -6.542 27.855 1.912 63 HA SER 10 HA SER 10 -9.051 27.858 3.208 64 HB2 SER 10 HB2 SER 10 -9.550 26.192 1.358 65 HB3 SER 10 HB3 SER 10 -8.246 25.176 1.972 66 HG SER 10 HG SER 10 -10.782 25.693 3.025 67 H ALA 11 H ALA 11 -8.853 25.879 4.974 68 HA ALA 11 HA ALA 11 -6.271 26.192 6.332 69 HB1 ALA 11 HB1 ALA 11 -8.373 26.509 7.586 70 HB2 ALA 11 HB2 ALA 11 -7.439 25.166 8.244 71 HB3 ALA 11 HB3 ALA 11 -8.846 24.844 7.227 72 H THR 12 H THR 12 -7.002 24.321 3.875 73 HA THR 12 HA THR 12 -6.041 21.735 4.962 74 HB THR 12 HB THR 12 -8.477 21.747 4.412 75 HG1 THR 12 HG1 THR 12 -7.006 20.138 2.587 76 HG21 THR 12 HG21 THR 12 -9.227 21.811 2.065 77 HG22 THR 12 HG22 THR 12 -7.591 22.202 1.536 78 HG23 THR 12 HG23 THR 12 -8.498 23.347 2.527 79 H ASP 13 H ASP 13 -4.755 24.145 3.391 80 HA ASP 13 HA ASP 13 -3.803 22.878 0.951 81 HB2 ASP 13 HB2 ASP 13 -2.819 25.452 2.269 82 HB3 ASP 13 HB3 ASP 13 -2.402 24.896 0.653 83 H THR 14 H THR 14 -2.065 24.187 3.794 84 HA THR 14 HA THR 14 -0.018 22.112 3.759 85 HB THR 14 HB THR 14 1.770 24.043 3.520 86 HG1 THR 14 HG1 THR 14 -0.496 25.245 2.270 87 HG21 THR 14 HG21 THR 14 1.889 23.829 1.061 88 HG22 THR 14 HG22 THR 14 0.261 23.150 1.035 89 HG23 THR 14 HG23 THR 14 1.572 22.263 1.816 90 H GLY 15 H GLY 15 1.926 23.429 5.208 91 HA2 GLY 15 HA2 GLY 15 2.586 24.270 7.210 92 HA3 GLY 15 HA3 GLY 15 1.053 25.123 7.305 93 H LYS 16 H LYS 16 -0.422 24.432 8.724 94 HA LYS 16 HA LYS 16 0.064 22.540 10.703 95 HB2 LYS 16 HB2 LYS 16 -2.380 22.702 11.291 96 HB3 LYS 16 HB3 LYS 16 -1.560 24.251 11.188 97 HG2 LYS 16 HG2 LYS 16 -3.182 23.189 8.857 98 HG3 LYS 16 HG3 LYS 16 -3.960 24.021 10.207 99 HD2 LYS 16 HD2 LYS 16 -2.523 26.019 9.773 100 HD3 LYS 16 HD3 LYS 16 -1.794 25.180 8.400 101 HE2 LYS 16 HE2 LYS 16 -4.014 25.079 7.311 102 HE3 LYS 16 HE3 LYS 16 -4.716 25.955 8.675 103 HZ1 LYS 16 HZ1 LYS 16 -3.309 27.830 8.157 104 HZ2 LYS 16 HZ2 LYS 16 -4.221 27.404 6.803 105 HZ3 LYS 16 HZ3 LYS 16 -2.586 26.989 6.882 106 H ARG 17 H ARG 17 -1.940 22.161 7.709 107 HA ARG 17 HA ARG 17 -2.602 19.441 8.287 108 HB2 ARG 17 HB2 ARG 17 -4.021 20.734 6.720 109 HB3 ARG 17 HB3 ARG 17 -2.681 20.842 5.576 110 HG2 ARG 17 HG2 ARG 17 -2.676 18.367 5.348 111 HG3 ARG 17 HG3 ARG 17 -4.003 18.257 6.498 112 HD2 ARG 17 HD2 ARG 17 -5.497 19.374 4.929 113 HD3 ARG 17 HD3 ARG 17 -4.158 19.626 3.802 114 HE ARG 17 HE ARG 17 -3.989 17.126 3.710 115 HH11 ARG 17 HH11 ARG 17 -7.107 18.594 4.435 116 HH12 ARG 17 HH12 ARG 17 -8.003 17.234 3.845 117 HH21 ARG 17 HH21 ARG 17 -5.174 15.359 2.981 118 HH22 ARG 17 HH22 ARG 17 -6.905 15.393 3.021 119 H GLU 18 H GLU 18 0.104 20.987 6.650 120 HA GLU 18 HA GLU 18 1.118 18.837 5.162 121 HB2 GLU 18 HB2 GLU 18 1.833 21.153 4.829 122 HB3 GLU 18 HB3 GLU 18 2.547 21.216 6.431 123 HG2 GLU 18 HG2 GLU 18 3.575 19.284 4.336 124 HG3 GLU 18 HG3 GLU 18 4.087 20.968 4.345 125 H LYS 19 H LYS 19 1.837 19.825 8.530 126 HA LYS 19 HA LYS 19 3.622 17.671 9.094 127 HB2 LYS 19 HB2 LYS 19 2.093 19.609 10.842 128 HB3 LYS 19 HB3 LYS 19 3.040 18.317 11.560 129 HG2 LYS 19 HG2 LYS 19 4.312 20.286 9.642 130 HG3 LYS 19 HG3 LYS 19 4.084 20.684 11.344 131 HD2 LYS 19 HD2 LYS 19 6.298 19.867 11.226 132 HD3 LYS 19 HD3 LYS 19 5.374 18.521 11.883 133 HE2 LYS 19 HE2 LYS 19 6.972 17.691 10.255 134 HE3 LYS 19 HE3 LYS 19 5.352 17.491 9.595 135 HZ1 LYS 19 HZ1 LYS 19 6.799 18.329 7.916 136 HZ2 LYS 19 HZ2 LYS 19 7.304 19.612 8.890 137 HZ3 LYS 19 HZ3 LYS 19 5.713 19.555 8.323 138 H GLN 20 H GLN 20 0.122 18.122 9.698 139 HA GLN 20 HA GLN 20 -0.393 15.664 11.011 140 HB2 GLN 20 HB2 GLN 20 -2.252 17.365 9.287 141 HB3 GLN 20 HB3 GLN 20 -2.788 16.035 10.314 142 HG2 GLN 20 HG2 GLN 20 -2.050 17.237 12.303 143 HG3 GLN 20 HG3 GLN 20 -1.416 18.551 11.314 144 HE21 GLN 20 HE21 GLN 20 -2.903 19.941 10.248 145 HE22 GLN 20 HE22 GLN 20 -4.551 20.054 10.739 146 H LEU 21 H LEU 21 0.092 16.454 7.695 147 HA LEU 21 HA LEU 21 -1.036 14.113 6.496 148 HB2 LEU 21 HB2 LEU 21 -0.915 16.278 5.359 149 HB3 LEU 21 HB3 LEU 21 0.828 16.267 5.447 150 HG LEU 21 HG LEU 21 -0.483 14.027 3.908 151 HD11 LEU 21 HD11 LEU 21 -0.236 16.838 2.793 152 HD12 LEU 21 HD12 LEU 21 -1.743 15.981 3.128 153 HD13 LEU 21 HD13 LEU 21 -0.659 15.391 1.871 154 HD21 LEU 21 HD21 LEU 21 1.968 14.068 4.132 155 HD22 LEU 21 HD22 LEU 21 2.020 15.677 3.408 156 HD23 LEU 21 HD23 LEU 21 1.490 14.291 2.450 157 H GLN 22 H GLN 22 2.139 15.103 7.699 158 HA GLN 22 HA GLN 22 3.643 12.877 6.704 159 HB2 GLN 22 HB2 GLN 22 4.255 14.509 9.210 160 HB3 GLN 22 HB3 GLN 22 5.397 13.548 8.268 161 HG2 GLN 22 HG2 GLN 22 3.981 16.056 7.325 162 HG3 GLN 22 HG3 GLN 22 5.649 15.970 7.875 163 HE21 GLN 22 HE21 GLN 22 4.473 16.806 5.269 164 HE22 GLN 22 HE22 GLN 22 5.295 15.856 4.081 165 H GLN 23 H GLN 23 1.768 13.476 9.637 166 HA GLN 23 HA GLN 23 2.300 11.041 11.017 167 HB2 GLN 23 HB2 GLN 23 -0.155 12.858 11.124 168 HB3 GLN 23 HB3 GLN 23 0.203 11.577 12.286 169 HG2 GLN 23 HG2 GLN 23 2.157 12.751 13.084 170 HG3 GLN 23 HG3 GLN 23 2.036 13.943 11.788 171 HE21 GLN 23 HE21 GLN 23 2.057 14.343 14.716 172 HE22 GLN 23 HE22 GLN 23 0.611 15.228 15.056 173 H TRP 24 H TRP 24 -0.136 12.030 8.656 174 HA TRP 24 HA TRP 24 -1.657 9.628 8.600 175 HB2 TRP 24 HB2 TRP 24 -2.634 11.723 7.815 176 HB3 TRP 24 HB3 TRP 24 -1.385 11.905 6.588 177 HD1 TRP 24 HD1 TRP 24 -3.611 8.754 7.230 178 HE1 TRP 24 HE1 TRP 24 -4.886 8.230 5.064 179 HE3 TRP 24 HE3 TRP 24 -2.076 12.725 4.410 180 HZ2 TRP 24 HZ2 TRP 24 -5.224 9.357 2.513 181 HZ3 TRP 24 HZ3 TRP 24 -2.937 12.941 2.115 182 HH2 TRP 24 HH2 TRP 24 -4.479 11.288 1.183 183 H LYS 25 H LYS 25 1.229 10.750 6.857 184 HA LYS 25 HA LYS 25 1.465 8.788 4.885 185 HB2 LYS 25 HB2 LYS 25 3.628 10.224 6.472 186 HB3 LYS 25 HB3 LYS 25 3.999 9.100 5.167 187 HG2 LYS 25 HG2 LYS 25 2.694 10.569 3.610 188 HG3 LYS 25 HG3 LYS 25 2.523 11.735 4.931 189 HD2 LYS 25 HD2 LYS 25 5.001 11.887 5.106 190 HD3 LYS 25 HD3 LYS 25 5.160 10.732 3.780 191 HE2 LYS 25 HE2 LYS 25 4.046 12.347 2.274 192 HE3 LYS 25 HE3 LYS 25 3.936 13.500 3.604 193 HZ1 LYS 25 HZ1 LYS 25 6.480 12.405 2.531 194 HZ2 LYS 25 HZ2 LYS 25 6.318 13.611 3.703 195 HZ3 LYS 25 HZ3 LYS 25 5.825 13.902 2.115 196 H ASN 26 H ASN 26 2.453 8.772 8.279 197 HA ASN 26 HA ASN 26 3.771 6.312 8.434 198 HB2 ASN 26 HB2 ASN 26 2.174 7.787 10.565 199 HB3 ASN 26 HB3 ASN 26 3.251 6.436 10.899 200 HD21 ASN 26 HD21 ASN 26 3.264 9.327 11.674 201 HD22 ASN 26 HD22 ASN 26 4.867 9.855 11.300 202 H ASN 27 H ASN 27 0.309 7.098 8.939 203 HA ASN 27 HA ASN 27 -0.614 4.545 9.703 204 HB2 ASN 27 HB2 ASN 27 -2.116 6.745 8.212 205 HB3 ASN 27 HB3 ASN 27 -2.884 5.340 8.956 206 HD21 ASN 27 HD21 ASN 27 -2.900 5.171 11.256 207 HD22 ASN 27 HD22 ASN 27 -2.708 6.580 12.238 208 H LEU 28 H LEU 28 -0.451 6.063 6.486 209 HA LEU 28 HA LEU 28 -1.557 3.962 4.973 210 HB2 LEU 28 HB2 LEU 28 0.479 6.054 4.112 211 HB3 LEU 28 HB3 LEU 28 -0.464 5.051 3.018 212 HG LEU 28 HG LEU 28 -1.598 7.163 4.896 213 HD11 LEU 28 HD11 LEU 28 -1.286 7.221 1.880 214 HD12 LEU 28 HD12 LEU 28 -0.337 8.151 3.044 215 HD13 LEU 28 HD13 LEU 28 -2.064 8.458 2.877 216 HD21 LEU 28 HD21 LEU 28 -3.196 5.332 4.571 217 HD22 LEU 28 HD22 LEU 28 -3.026 5.465 2.816 218 HD23 LEU 28 HD23 LEU 28 -3.741 6.788 3.744 219 H LYS 29 H LYS 29 1.837 4.798 5.634 220 HA LYS 29 HA LYS 29 3.165 2.778 4.221 221 HB2 LYS 29 HB2 LYS 29 3.965 4.478 6.604 222 HB3 LYS 29 HB3 LYS 29 5.084 3.332 5.879 223 HG2 LYS 29 HG2 LYS 29 5.220 4.547 3.853 224 HG3 LYS 29 HG3 LYS 29 3.765 5.480 4.207 225 HD2 LYS 29 HD2 LYS 29 5.870 6.810 4.436 226 HD3 LYS 29 HD3 LYS 29 4.909 6.760 5.915 227 HE2 LYS 29 HE2 LYS 29 7.297 6.512 6.414 228 HE3 LYS 29 HE3 LYS 29 6.436 5.027 6.831 229 HZ1 LYS 29 HZ1 LYS 29 7.918 5.440 4.296 230 HZ2 LYS 29 HZ2 LYS 29 7.235 3.996 4.843 231 HZ3 LYS 29 HZ3 LYS 29 8.558 4.667 5.651 232 H ASN 30 H ASN 30 1.847 2.828 7.497 233 HA ASN 30 HA ASN 30 3.015 0.432 8.474 234 HB2 ASN 30 HB2 ASN 30 0.569 2.024 9.332 235 HB3 ASN 30 HB3 ASN 30 0.983 0.506 10.125 236 HD21 ASN 30 HD21 ASN 30 0.907 3.278 11.150 237 HD22 ASN 30 HD22 ASN 30 2.469 3.552 11.835 238 H ASP 31 H ASP 31 -0.093 1.144 6.873 239 HA ASP 31 HA ASP 31 -1.001 -1.576 6.910 240 HB2 ASP 31 HB2 ASP 31 -2.009 0.836 5.347 241 HB3 ASP 31 HB3 ASP 31 -2.756 -0.760 5.253 242 H VAL 32 H VAL 32 0.849 0.345 4.567 243 HA VAL 32 HA VAL 32 0.841 -1.462 2.388 244 HB VAL 32 HB VAL 32 3.058 0.464 3.259 245 HG11 VAL 32 HG11 VAL 32 2.761 -0.972 0.588 246 HG12 VAL 32 HG12 VAL 32 4.019 -1.271 1.789 247 HG13 VAL 32 HG13 VAL 32 3.956 0.279 0.950 248 HG21 VAL 32 HG21 VAL 32 0.934 1.592 2.694 249 HG22 VAL 32 HG22 VAL 32 0.915 0.790 1.125 250 HG23 VAL 32 HG23 VAL 32 2.182 1.961 1.501 251 H ASP 33 H ASP 33 2.747 -1.294 5.332 252 HA ASP 33 HA ASP 33 4.450 -3.533 4.779 253 HB2 ASP 33 HB2 ASP 33 5.196 -1.734 6.271 254 HB3 ASP 33 HB3 ASP 33 3.849 -2.042 7.369 255 H ASN 34 H ASN 34 1.354 -3.071 6.420 256 HA ASN 34 HA ASN 34 1.228 -5.682 7.652 257 HB2 ASN 34 HB2 ASN 34 -0.917 -3.561 7.201 258 HB3 ASN 34 HB3 ASN 34 -1.216 -5.073 8.055 259 HD21 ASN 34 HD21 ASN 34 -1.392 -2.296 9.003 260 HD22 ASN 34 HD22 ASN 34 -0.363 -2.216 10.390 261 H THR 35 H THR 35 0.397 -4.391 4.512 262 HA THR 35 HA THR 35 -1.427 -6.524 3.788 263 HB THR 35 HB THR 35 -1.184 -5.504 1.437 264 HG1 THR 35 HG1 THR 35 0.814 -4.226 2.604 265 HG21 THR 35 HG21 THR 35 -2.566 -3.514 1.966 266 HG22 THR 35 HG22 THR 35 -2.170 -3.701 3.676 267 HG23 THR 35 HG23 THR 35 -3.106 -4.947 2.846 268 H ILE 36 H ILE 36 -0.992 -7.936 1.910 269 HA ILE 36 HA ILE 36 1.521 -9.330 2.315 270 HB ILE 36 HB ILE 36 0.557 -11.156 1.023 271 HG12 ILE 36 HG12 ILE 36 -1.865 -9.391 0.404 272 HG13 ILE 36 HG13 ILE 36 -0.581 -9.725 -0.751 273 HG21 ILE 36 HG21 ILE 36 -1.448 -11.668 2.355 274 HG22 ILE 36 HG22 ILE 36 -1.572 -9.980 2.847 275 HG23 ILE 36 HG23 ILE 36 -0.192 -10.953 3.369 276 HD11 ILE 36 HD11 ILE 36 -2.397 -11.798 0.484 277 HD12 ILE 36 HD12 ILE 36 -1.141 -12.094 -0.722 278 HD13 ILE 36 HD13 ILE 36 -2.546 -11.112 -1.131 279 H LEU 37 H LEU 37 1.485 -6.705 0.793 280 HA LEU 37 HA LEU 37 2.005 -7.061 -1.939 281 HB2 LEU 37 HB2 LEU 37 3.326 -4.997 -0.133 282 HB3 LEU 37 HB3 LEU 37 3.150 -4.909 -1.879 283 HG LEU 37 HG LEU 37 0.981 -4.596 0.221 284 HD11 LEU 37 HD11 LEU 37 0.717 -2.371 -0.765 285 HD12 LEU 37 HD12 LEU 37 2.022 -2.715 -1.907 286 HD13 LEU 37 HD13 LEU 37 2.358 -2.628 -0.176 287 HD21 LEU 37 HD21 LEU 37 -0.637 -4.268 -1.613 288 HD22 LEU 37 HD22 LEU 37 -0.005 -5.909 -1.573 289 HD23 LEU 37 HD23 LEU 37 0.590 -4.769 -2.785 290 H SER 38 H SER 38 3.826 -7.603 -3.061 291 HA SER 38 HA SER 38 5.799 -9.218 -1.752 292 HB2 SER 38 HB2 SER 38 4.975 -9.739 -4.031 293 HB3 SER 38 HB3 SER 38 5.672 -8.235 -4.638 294 HG SER 38 HG SER 38 7.326 -9.487 -5.004 295 H HIS 39 H HIS 39 8.241 -8.809 -2.370 296 HA HIS 39 HA HIS 39 9.136 -6.907 -0.598 297 HB2 HIS 39 HB2 HIS 39 10.495 -8.831 -1.363 298 HB3 HIS 39 HB3 HIS 39 10.687 -8.090 -2.946 299 HD1 HIS 39 HD1 HIS 39 12.130 -8.167 0.446 300 HD2 HIS 39 HD2 HIS 39 12.447 -5.746 -2.916 301 HE1 HIS 39 HE1 HIS 39 14.221 -6.831 0.767 302 HE2 HIS 39 HE2 HIS 39 14.297 -5.253 -1.189 303 H GLU 40 H GLU 40 9.111 -6.583 -4.161 304 HA GLU 40 HA GLU 40 10.329 -3.989 -4.173 305 HB2 GLU 40 HB2 GLU 40 8.792 -5.359 -6.424 306 HB3 GLU 40 HB3 GLU 40 9.914 -4.010 -6.598 307 HG2 GLU 40 HG2 GLU 40 11.793 -5.426 -5.949 308 HG3 GLU 40 HG3 GLU 40 10.705 -6.771 -5.598 309 H GLN 41 H GLN 41 6.983 -5.181 -4.340 310 HA GLN 41 HA GLN 41 5.705 -2.727 -5.032 311 HB2 GLN 41 HB2 GLN 41 4.597 -5.198 -3.631 312 HB3 GLN 41 HB3 GLN 41 3.604 -3.872 -4.240 313 HG2 GLN 41 HG2 GLN 41 5.352 -5.703 -5.917 314 HG3 GLN 41 HG3 GLN 41 3.600 -5.805 -5.760 315 HE21 GLN 41 HE21 GLN 41 3.178 -2.891 -5.894 316 HE22 GLN 41 HE22 GLN 41 3.482 -2.438 -7.528 317 H LYS 42 H LYS 42 6.383 -4.282 -1.927 318 HA LYS 42 HA LYS 42 4.871 -2.544 -0.277 319 HB2 LYS 42 HB2 LYS 42 5.478 -4.807 0.423 320 HB3 LYS 42 HB3 LYS 42 7.190 -4.409 0.364 321 HG2 LYS 42 HG2 LYS 42 7.037 -3.004 2.296 322 HG3 LYS 42 HG3 LYS 42 5.270 -3.000 2.242 323 HD2 LYS 42 HD2 LYS 42 6.978 -5.467 2.798 324 HD3 LYS 42 HD3 LYS 42 6.212 -4.477 4.045 325 HE2 LYS 42 HE2 LYS 42 3.984 -5.025 3.105 326 HE3 LYS 42 HE3 LYS 42 4.739 -6.015 1.863 327 HZ1 LYS 42 HZ1 LYS 42 5.606 -7.452 3.615 328 HZ2 LYS 42 HZ2 LYS 42 3.919 -7.363 3.656 329 HZ3 LYS 42 HZ3 LYS 42 4.834 -6.507 4.788 330 H ASN 43 H ASN 43 8.320 -2.764 -1.052 331 HA ASN 43 HA ASN 43 9.140 -0.407 0.313 332 HB2 ASN 43 HB2 ASN 43 10.438 -2.233 -1.725 333 HB3 ASN 43 HB3 ASN 43 11.228 -0.730 -1.263 334 HD21 ASN 43 HD21 ASN 43 10.111 -3.858 -0.044 335 HD22 ASN 43 HD22 ASN 43 11.112 -3.871 1.353 336 H GLU 44 H GLU 44 7.807 -0.979 -2.877 337 HA GLU 44 HA GLU 44 8.502 1.461 -4.173 338 HB2 GLU 44 HB2 GLU 44 7.695 -0.451 -5.447 339 HB3 GLU 44 HB3 GLU 44 6.185 -0.467 -4.549 340 HG2 GLU 44 HG2 GLU 44 5.670 1.797 -5.578 341 HG3 GLU 44 HG3 GLU 44 7.081 1.563 -6.610 342 H PHE 45 H PHE 45 5.475 0.449 -2.540 343 HA PHE 45 HA PHE 45 4.152 2.920 -2.961 344 HB2 PHE 45 HB2 PHE 45 3.448 0.492 -1.287 345 HB3 PHE 45 HB3 PHE 45 2.445 1.938 -1.254 346 HD1 PHE 45 HD1 PHE 45 1.644 2.837 -3.612 347 HD2 PHE 45 HD2 PHE 45 2.958 -1.184 -2.920 348 HE1 PHE 45 HE1 PHE 45 0.401 2.074 -5.596 349 HE2 PHE 45 HE2 PHE 45 1.719 -1.926 -4.905 350 HZ PHE 45 HZ PHE 45 0.436 -0.303 -6.242 351 H LYS 46 H LYS 46 5.770 1.558 -0.048 352 HA LYS 46 HA LYS 46 5.140 3.594 1.775 353 HB2 LYS 46 HB2 LYS 46 7.722 1.995 1.569 354 HB3 LYS 46 HB3 LYS 46 7.301 3.022 2.940 355 HG2 LYS 46 HG2 LYS 46 5.351 1.573 3.422 356 HG3 LYS 46 HG3 LYS 46 5.788 0.537 2.055 357 HD2 LYS 46 HD2 LYS 46 7.489 1.046 4.533 358 HD3 LYS 46 HD3 LYS 46 6.585 -0.430 4.188 359 HE2 LYS 46 HE2 LYS 46 8.045 -1.006 2.380 360 HE3 LYS 46 HE3 LYS 46 8.774 0.598 2.349 361 HZ1 LYS 46 HZ1 LYS 46 9.080 -1.416 4.497 362 HZ2 LYS 46 HZ2 LYS 46 9.709 0.147 4.542 363 HZ3 LYS 46 HZ3 LYS 46 10.254 -0.950 3.379 364 H THR 47 H THR 47 7.961 3.355 -0.425 365 HA THR 47 HA THR 47 9.234 5.767 0.220 366 HB THR 47 HB THR 47 9.296 4.129 -2.346 367 HG1 THR 47 HG1 THR 47 10.518 2.943 -1.100 368 HG21 THR 47 HG21 THR 47 10.028 6.426 -2.904 369 HG22 THR 47 HG22 THR 47 11.401 5.318 -2.911 370 HG23 THR 47 HG23 THR 47 11.154 6.404 -1.543 371 H LYS 48 H LYS 48 6.821 5.038 -2.306 372 HA LYS 48 HA LYS 48 6.603 7.507 -3.574 373 HB2 LYS 48 HB2 LYS 48 4.643 5.260 -3.060 374 HB3 LYS 48 HB3 LYS 48 4.094 6.720 -3.875 375 HG2 LYS 48 HG2 LYS 48 5.570 6.366 -5.718 376 HG3 LYS 48 HG3 LYS 48 6.423 5.067 -4.876 377 HD2 LYS 48 HD2 LYS 48 4.629 3.554 -5.114 378 HD3 LYS 48 HD3 LYS 48 3.458 4.831 -5.448 379 HE2 LYS 48 HE2 LYS 48 4.093 3.425 -7.438 380 HE3 LYS 48 HE3 LYS 48 4.330 5.159 -7.661 381 HZ1 LYS 48 HZ1 LYS 48 6.166 3.677 -8.463 382 HZ2 LYS 48 HZ2 LYS 48 6.523 3.339 -6.849 383 HZ3 LYS 48 HZ3 LYS 48 6.647 4.917 -7.425 384 H ILE 49 H ILE 49 5.034 6.343 -0.624 385 HA ILE 49 HA ILE 49 3.336 8.564 -0.174 386 HB ILE 49 HB ILE 49 4.372 6.434 1.741 387 HG12 ILE 49 HG12 ILE 49 1.623 6.626 0.424 388 HG13 ILE 49 HG13 ILE 49 2.949 5.705 -0.267 389 HG21 ILE 49 HG21 ILE 49 2.090 8.395 2.169 390 HG22 ILE 49 HG22 ILE 49 3.625 8.381 3.038 391 HG23 ILE 49 HG23 ILE 49 2.494 7.042 3.236 392 HD11 ILE 49 HD11 ILE 49 1.701 5.187 2.428 393 HD12 ILE 49 HD12 ILE 49 2.982 4.240 1.665 394 HD13 ILE 49 HD13 ILE 49 1.375 4.298 0.942 395 H ASP 50 H ASP 50 6.620 7.756 1.035 396 HA ASP 50 HA ASP 50 7.008 10.002 2.729 397 HB2 ASP 50 HB2 ASP 50 9.077 8.340 1.212 398 HB3 ASP 50 HB3 ASP 50 9.495 9.559 2.410 399 H GLU 51 H GLU 51 7.535 9.528 -0.722 400 HA GLU 51 HA GLU 51 9.008 11.993 -1.118 401 HB2 GLU 51 HB2 GLU 51 7.989 9.923 -3.113 402 HB3 GLU 51 HB3 GLU 51 9.063 11.264 -3.509 403 HG2 GLU 51 HG2 GLU 51 9.725 9.016 -1.584 404 HG3 GLU 51 HG3 GLU 51 10.226 9.069 -3.272 405 H THR 52 H THR 52 5.739 11.418 -0.780 406 HA THR 52 HA THR 52 4.986 13.657 -2.586 407 HB THR 52 HB THR 52 3.306 11.195 -1.942 408 HG1 THR 52 HG1 THR 52 5.046 10.797 -3.378 409 HG21 THR 52 HG21 THR 52 2.766 13.500 -3.845 410 HG22 THR 52 HG22 THR 52 1.895 13.183 -2.342 411 HG23 THR 52 HG23 THR 52 1.783 12.046 -3.688 412 H ASN 53 H ASN 53 4.394 15.363 -1.441 413 HA ASN 53 HA ASN 53 3.054 15.106 1.182 414 HB2 ASN 53 HB2 ASN 53 4.366 17.513 -0.155 415 HB3 ASN 53 HB3 ASN 53 3.490 17.601 1.370 416 HD21 ASN 53 HD21 ASN 53 5.288 18.242 2.573 417 HD22 ASN 53 HD22 ASN 53 6.630 17.196 2.886 418 H ASP 54 H ASP 54 1.979 14.948 -1.798 419 HA ASP 54 HA ASP 54 -0.224 16.898 -1.639 420 HB2 ASP 54 HB2 ASP 54 0.922 16.541 -3.829 421 HB3 ASP 54 HB3 ASP 54 0.467 14.840 -3.798 422 H SER 55 H SER 55 -2.215 16.354 -0.926 423 HA SER 55 HA SER 55 -2.616 14.013 0.589 424 HB2 SER 55 HB2 SER 55 -4.682 16.052 -0.347 425 HB3 SER 55 HB3 SER 55 -4.917 14.872 0.944 426 HG SER 55 HG SER 55 -3.201 17.114 0.887 427 H ASP 56 H ASP 56 -4.014 15.026 -2.530 428 HA ASP 56 HA ASP 56 -5.771 12.792 -2.796 429 HB2 ASP 56 HB2 ASP 56 -4.833 14.851 -4.820 430 HB3 ASP 56 HB3 ASP 56 -6.099 13.668 -5.138 431 H ALA 57 H ALA 57 -2.483 13.345 -3.743 432 HA ALA 57 HA ALA 57 -2.251 11.110 -5.529 433 HB1 ALA 57 HB1 ALA 57 0.178 11.503 -5.335 434 HB2 ALA 57 HB2 ALA 57 -0.119 12.674 -4.046 435 HB3 ALA 57 HB3 ALA 57 -0.704 12.993 -5.679 436 H LEU 58 H LEU 58 -1.643 11.685 -2.046 437 HA LEU 58 HA LEU 58 -0.732 9.048 -1.449 438 HB2 LEU 58 HB2 LEU 58 -2.011 11.125 0.365 439 HB3 LEU 58 HB3 LEU 58 -1.296 9.623 0.930 440 HG LEU 58 HG LEU 58 0.156 11.989 -0.314 441 HD11 LEU 58 HD11 LEU 58 -0.413 12.274 2.047 442 HD12 LEU 58 HD12 LEU 58 1.327 12.073 1.851 443 HD13 LEU 58 HD13 LEU 58 0.345 10.727 2.442 444 HD21 LEU 58 HD21 LEU 58 2.237 10.711 -0.041 445 HD22 LEU 58 HD22 LEU 58 1.155 9.934 -1.191 446 HD23 LEU 58 HD23 LEU 58 1.310 9.286 0.445 447 H LEU 59 H LEU 59 -3.925 10.536 -1.647 448 HA LEU 59 HA LEU 59 -5.511 8.406 -0.675 449 HB2 LEU 59 HB2 LEU 59 -6.140 10.543 -2.751 450 HB3 LEU 59 HB3 LEU 59 -7.340 9.423 -2.125 451 HG LEU 59 HG LEU 59 -5.844 11.483 -0.449 452 HD11 LEU 59 HD11 LEU 59 -7.380 12.573 -2.005 453 HD12 LEU 59 HD12 LEU 59 -7.964 12.703 -0.347 454 HD13 LEU 59 HD13 LEU 59 -8.704 11.540 -1.453 455 HD21 LEU 59 HD21 LEU 59 -7.444 10.926 1.327 456 HD22 LEU 59 HD22 LEU 59 -6.495 9.515 0.876 457 HD23 LEU 59 HD23 LEU 59 -8.163 9.668 0.314 458 H GLU 60 H GLU 60 -4.233 9.187 -3.893 459 HA GLU 60 HA GLU 60 -5.445 7.086 -5.360 460 HB2 GLU 60 HB2 GLU 60 -4.428 9.136 -6.369 461 HB3 GLU 60 HB3 GLU 60 -2.834 8.559 -5.904 462 HG2 GLU 60 HG2 GLU 60 -3.091 6.613 -7.401 463 HG3 GLU 60 HG3 GLU 60 -4.692 7.181 -7.869 464 H LEU 61 H LEU 61 -2.241 7.394 -3.817 465 HA LEU 61 HA LEU 61 -1.184 4.863 -4.451 466 HB2 LEU 61 HB2 LEU 61 -0.588 6.681 -2.083 467 HB3 LEU 61 HB3 LEU 61 0.395 5.294 -2.541 468 HG LEU 61 HG LEU 61 -0.051 7.747 -4.287 469 HD11 LEU 61 HD11 LEU 61 1.260 8.343 -2.325 470 HD12 LEU 61 HD12 LEU 61 2.267 8.351 -3.771 471 HD13 LEU 61 HD13 LEU 61 2.373 7.005 -2.631 472 HD21 LEU 61 HD21 LEU 61 1.786 5.363 -4.668 473 HD22 LEU 61 HD22 LEU 61 1.766 6.816 -5.672 474 HD23 LEU 61 HD23 LEU 61 0.357 5.761 -5.628 475 H GLU 62 H GLU 62 -3.177 5.996 -1.783 476 HA GLU 62 HA GLU 62 -3.191 3.736 -0.129 477 HB2 GLU 62 HB2 GLU 62 -4.061 5.920 0.584 478 HB3 GLU 62 HB3 GLU 62 -5.337 5.830 -0.625 479 HG2 GLU 62 HG2 GLU 62 -6.241 3.804 0.579 480 HG3 GLU 62 HG3 GLU 62 -5.040 4.090 1.841 481 H ASN 63 H ASN 63 -5.438 4.740 -2.708 482 HA ASN 63 HA ASN 63 -7.086 2.451 -2.693 483 HB2 ASN 63 HB2 ASN 63 -6.621 4.650 -4.731 484 HB3 ASN 63 HB3 ASN 63 -7.634 3.267 -5.140 485 HD21 ASN 63 HD21 ASN 63 -7.488 6.248 -3.436 486 HD22 ASN 63 HD22 ASN 63 -9.096 6.216 -2.821 487 H GLN 64 H GLN 64 -4.036 3.130 -4.312 488 HA GLN 64 HA GLN 64 -4.256 0.996 -6.224 489 HB2 GLN 64 HB2 GLN 64 -1.921 2.773 -5.455 490 HB3 GLN 64 HB3 GLN 64 -1.786 1.504 -6.672 491 HG2 GLN 64 HG2 GLN 64 -3.760 3.802 -6.831 492 HG3 GLN 64 HG3 GLN 64 -2.171 3.816 -7.588 493 HE21 GLN 64 HE21 GLN 64 -3.064 4.079 -9.637 494 HE22 GLN 64 HE22 GLN 64 -3.876 2.808 -10.485 495 H PHE 65 H PHE 65 -2.545 1.335 -3.068 496 HA PHE 65 HA PHE 65 -1.309 -1.265 -3.375 497 HB2 PHE 65 HB2 PHE 65 -0.152 -0.926 -1.390 498 HB3 PHE 65 HB3 PHE 65 -0.359 0.712 -1.959 499 HD1 PHE 65 HD1 PHE 65 -1.597 2.333 -0.616 500 HD2 PHE 65 HD2 PHE 65 -1.442 -1.768 0.603 501 HE1 PHE 65 HE1 PHE 65 -2.440 2.949 1.611 502 HE2 PHE 65 HE2 PHE 65 -2.298 -1.133 2.815 503 HZ PHE 65 HZ PHE 65 -2.795 1.224 3.323 504 H ASN 66 H ASN 66 -4.271 -0.028 -1.998 505 HA ASN 66 HA ASN 66 -5.039 -2.418 -0.590 506 HB2 ASN 66 HB2 ASN 66 -6.602 0.050 -1.478 507 HB3 ASN 66 HB3 ASN 66 -7.361 -1.283 -0.607 508 HD21 ASN 66 HD21 ASN 66 -6.927 1.553 0.154 509 HD22 ASN 66 HD22 ASN 66 -6.091 1.501 1.667 510 H GLU 67 H GLU 67 -5.618 -1.125 -3.856 511 HA GLU 67 HA GLU 67 -7.456 -3.169 -4.646 512 HB2 GLU 67 HB2 GLU 67 -7.269 -0.939 -5.797 513 HB3 GLU 67 HB3 GLU 67 -5.709 -1.430 -6.439 514 HG2 GLU 67 HG2 GLU 67 -7.450 -1.686 -8.136 515 HG3 GLU 67 HG3 GLU 67 -6.787 -3.260 -7.698 516 H THR 68 H THR 68 -3.980 -2.623 -5.240 517 HA THR 68 HA THR 68 -3.299 -4.911 -6.666 518 HB THR 68 HB THR 68 -1.619 -3.306 -4.680 519 HG1 THR 68 HG1 THR 68 -2.487 -2.318 -6.692 520 HG21 THR 68 HG21 THR 68 0.392 -4.264 -5.781 521 HG22 THR 68 HG22 THR 68 -0.641 -5.325 -6.743 522 HG23 THR 68 HG23 THR 68 -0.560 -5.524 -4.990 523 H ASN 69 H ASN 69 -3.475 -4.368 -3.165 524 HA ASN 69 HA ASN 69 -2.527 -6.865 -2.286 525 HB2 ASN 69 HB2 ASN 69 -2.630 -4.955 -0.771 526 HB3 ASN 69 HB3 ASN 69 -4.383 -4.878 -0.925 527 HD21 ASN 69 HD21 ASN 69 -1.798 -7.117 0.046 528 HD22 ASN 69 HD22 ASN 69 -2.684 -7.835 1.343 529 H ARG 70 H ARG 70 -5.863 -5.717 -2.908 530 HA ARG 70 HA ARG 70 -7.313 -7.974 -2.115 531 HB2 ARG 70 HB2 ARG 70 -8.355 -5.786 -2.740 532 HB3 ARG 70 HB3 ARG 70 -7.942 -6.075 -4.429 533 HG2 ARG 70 HG2 ARG 70 -9.407 -8.093 -4.415 534 HG3 ARG 70 HG3 ARG 70 -9.841 -7.745 -2.741 535 HD2 ARG 70 HD2 ARG 70 -10.765 -5.519 -3.547 536 HD3 ARG 70 HD3 ARG 70 -10.509 -6.093 -5.206 537 HE ARG 70 HE ARG 70 -11.980 -7.973 -3.630 538 HH11 ARG 70 HH11 ARG 70 -12.444 -5.030 -5.506 539 HH12 ARG 70 HH12 ARG 70 -14.122 -5.353 -5.798 540 HH21 ARG 70 HH21 ARG 70 -14.167 -8.363 -4.004 541 HH22 ARG 70 HH22 ARG 70 -15.100 -7.248 -4.948 542 H LEU 71 H LEU 71 -5.886 -7.147 -5.244 543 HA LEU 71 HA LEU 71 -6.757 -9.387 -6.729 544 HB2 LEU 71 HB2 LEU 71 -4.327 -7.621 -7.227 545 HB3 LEU 71 HB3 LEU 71 -5.112 -8.659 -8.413 546 HG LEU 71 HG LEU 71 -6.346 -6.193 -7.123 547 HD11 LEU 71 HD11 LEU 71 -6.170 -5.159 -9.334 548 HD12 LEU 71 HD12 LEU 71 -5.336 -6.591 -9.945 549 HD13 LEU 71 HD13 LEU 71 -4.587 -5.597 -8.692 550 HD21 LEU 71 HD21 LEU 71 -8.205 -6.491 -8.709 551 HD22 LEU 71 HD22 LEU 71 -8.071 -7.852 -7.599 552 HD23 LEU 71 HD23 LEU 71 -7.494 -8.014 -9.260 553 H LEU 72 H LEU 72 -3.891 -8.788 -4.744 554 HA LEU 72 HA LEU 72 -2.397 -11.103 -5.421 555 HB2 LEU 72 HB2 LEU 72 -2.431 -9.429 -2.892 556 HB3 LEU 72 HB3 LEU 72 -1.304 -10.751 -3.147 557 HG LEU 72 HG LEU 72 -1.439 -8.251 -4.868 558 HD11 LEU 72 HD11 LEU 72 0.529 -8.985 -2.685 559 HD12 LEU 72 HD12 LEU 72 -0.731 -7.755 -2.570 560 HD13 LEU 72 HD13 LEU 72 0.595 -7.550 -3.718 561 HD21 LEU 72 HD21 LEU 72 0.705 -9.032 -5.795 562 HD22 LEU 72 HD22 LEU 72 -0.578 -10.197 -6.105 563 HD23 LEU 72 HD23 LEU 72 0.599 -10.509 -4.826 564 H HIS 73 H HIS 73 -4.864 -10.499 -2.890 565 HA HIS 73 HA HIS 73 -4.665 -13.022 -1.592 566 HB2 HIS 73 HB2 HIS 73 -7.013 -11.080 -1.731 567 HB3 HIS 73 HB3 HIS 73 -6.991 -12.508 -0.704 568 HD1 HIS 73 HD1 HIS 73 -4.888 -12.467 1.114 569 HD2 HIS 73 HD2 HIS 73 -6.111 -8.854 -0.456 570 HE1 HIS 73 HE1 HIS 73 -3.920 -10.721 2.613 571 HE2 HIS 73 HE2 HIS 73 -4.916 -8.567 1.794 572 H ILE 74 H ILE 74 -6.541 -11.887 -4.361 573 HA ILE 74 HA ILE 74 -8.184 -14.173 -4.767 574 HB ILE 74 HB ILE 74 -7.255 -12.041 -6.748 575 HG12 ILE 74 HG12 ILE 74 -9.865 -12.230 -5.161 576 HG13 ILE 74 HG13 ILE 74 -8.536 -11.138 -4.804 577 HG21 ILE 74 HG21 ILE 74 -9.171 -12.710 -8.169 578 HG22 ILE 74 HG22 ILE 74 -9.537 -14.029 -7.055 579 HG23 ILE 74 HG23 ILE 74 -8.025 -14.035 -7.966 580 HD11 ILE 74 HD11 ILE 74 -10.322 -9.964 -5.909 581 HD12 ILE 74 HD12 ILE 74 -10.272 -11.083 -7.271 582 HD13 ILE 74 HD13 ILE 74 -8.905 -10.007 -6.960 583 H LYS 75 H LYS 75 -5.182 -13.105 -6.340 584 HA LYS 75 HA LYS 75 -4.691 -15.230 -8.086 585 HB2 LYS 75 HB2 LYS 75 -3.462 -13.226 -8.424 586 HB3 LYS 75 HB3 LYS 75 -2.981 -13.126 -6.735 587 HG2 LYS 75 HG2 LYS 75 -1.459 -15.075 -7.095 588 HG3 LYS 75 HG3 LYS 75 -1.874 -15.044 -8.813 589 HD2 LYS 75 HD2 LYS 75 -0.802 -12.956 -9.156 590 HD3 LYS 75 HD3 LYS 75 -0.784 -12.567 -7.432 591 HE2 LYS 75 HE2 LYS 75 1.463 -13.198 -8.394 592 HE3 LYS 75 HE3 LYS 75 0.956 -14.173 -7.012 593 HZ1 LYS 75 HZ1 LYS 75 1.928 -15.389 -8.968 594 HZ2 LYS 75 HZ2 LYS 75 0.499 -15.046 -9.799 595 HZ3 LYS 75 HZ3 LYS 75 0.453 -15.978 -8.387 596 H GLN 76 H GLN 76 -3.505 -14.682 -4.789 597 HA GLN 76 HA GLN 76 -1.855 -16.954 -4.543 598 HB2 GLN 76 HB2 GLN 76 -1.567 -14.991 -3.120 599 HB3 GLN 76 HB3 GLN 76 -3.176 -15.189 -2.441 600 HG2 GLN 76 HG2 GLN 76 -2.456 -17.271 -1.333 601 HG3 GLN 76 HG3 GLN 76 -0.854 -17.100 -2.045 602 HE21 GLN 76 HE21 GLN 76 -2.672 -14.353 -0.784 603 HE22 GLN 76 HE22 GLN 76 -1.647 -14.078 0.577 604 H HIS 77 H HIS 77 -5.286 -16.396 -3.905 605 HA HIS 77 HA HIS 77 -5.838 -18.728 -2.420 606 HB2 HIS 77 HB2 HIS 77 -7.394 -16.762 -2.607 607 HB3 HIS 77 HB3 HIS 77 -7.753 -17.230 -4.266 608 HD1 HIS 77 HD1 HIS 77 -8.046 -18.628 -0.735 609 HD2 HIS 77 HD2 HIS 77 -9.843 -19.004 -4.471 610 HE1 HIS 77 HE1 HIS 77 -10.057 -20.088 -0.379 611 HE2 HIS 77 HE2 HIS 77 -11.188 -20.196 -2.620 612 H GLU 78 H GLU 78 -6.005 -18.045 -5.928 613 HA GLU 78 HA GLU 78 -7.060 -20.555 -6.719 614 HB2 GLU 78 HB2 GLU 78 -5.345 -18.677 -8.394 615 HB3 GLU 78 HB3 GLU 78 -6.444 -19.920 -9.000 616 HG2 GLU 78 HG2 GLU 78 -7.165 -17.349 -7.567 617 HG3 GLU 78 HG3 GLU 78 -7.475 -17.749 -9.254 618 H GLU 79 H GLU 79 -3.772 -19.403 -6.245 619 HA GLU 79 HA GLU 79 -2.353 -21.640 -7.253 620 HB2 GLU 79 HB2 GLU 79 -1.555 -19.589 -5.139 621 HB3 GLU 79 HB3 GLU 79 -0.446 -20.746 -5.880 622 HG2 GLU 79 HG2 GLU 79 -0.861 -19.727 -8.096 623 HG3 GLU 79 HG3 GLU 79 -1.967 -18.565 -7.355 624 H VAL 80 H VAL 80 -3.474 -20.792 -3.970 625 HA VAL 80 HA VAL 80 -2.494 -23.118 -2.658 626 HB VAL 80 HB VAL 80 -4.668 -21.136 -1.836 627 HG11 VAL 80 HG11 VAL 80 -3.376 -23.286 -0.106 628 HG12 VAL 80 HG12 VAL 80 -5.058 -23.264 -0.635 629 HG13 VAL 80 HG13 VAL 80 -4.472 -22.024 0.474 630 HG21 VAL 80 HG21 VAL 80 -2.397 -20.166 -2.032 631 HG22 VAL 80 HG22 VAL 80 -1.768 -21.398 -0.938 632 HG23 VAL 80 HG23 VAL 80 -2.920 -20.200 -0.345 633 H GLU 81 H GLU 81 -5.424 -22.485 -4.498 634 HA GLU 81 HA GLU 81 -6.890 -24.777 -3.597 635 HB2 GLU 81 HB2 GLU 81 -7.261 -23.109 -6.120 636 HB3 GLU 81 HB3 GLU 81 -8.369 -24.369 -5.584 637 HG2 GLU 81 HG2 GLU 81 -7.809 -21.708 -4.255 638 HG3 GLU 81 HG3 GLU 81 -9.310 -22.248 -4.991 639 H LYS 82 H LYS 82 -4.877 -24.127 -6.492 640 HA LYS 82 HA LYS 82 -5.422 -26.687 -7.665 641 HB2 LYS 82 HB2 LYS 82 -3.831 -26.069 -9.408 642 HB3 LYS 82 HB3 LYS 82 -4.928 -24.739 -9.074 643 HG2 LYS 82 HG2 LYS 82 -3.170 -23.588 -7.790 644 HG3 LYS 82 HG3 LYS 82 -2.065 -24.929 -8.071 645 HD2 LYS 82 HD2 LYS 82 -1.469 -23.164 -9.585 646 HD3 LYS 82 HD3 LYS 82 -2.206 -24.446 -10.543 647 HE2 LYS 82 HE2 LYS 82 -3.747 -22.005 -9.601 648 HE3 LYS 82 HE3 LYS 82 -2.868 -22.044 -11.125 649 HZ1 LYS 82 HZ1 LYS 82 -5.177 -22.528 -11.461 650 HZ2 LYS 82 HZ2 LYS 82 -5.128 -23.809 -10.368 651 HZ3 LYS 82 HZ3 LYS 82 -4.267 -23.905 -11.818 652 H ASP 83 H ASP 83 -2.696 -25.331 -5.848 653 HA ASP 83 HA ASP 83 -0.959 -27.585 -6.180 654 HB2 ASP 83 HB2 ASP 83 -0.814 -25.216 -4.272 655 HB3 ASP 83 HB3 ASP 83 0.451 -26.436 -4.417 656 H LYS 84 H LYS 84 -3.424 -26.724 -3.903 657 HA LYS 84 HA LYS 84 -3.055 -28.466 -1.768 658 HB2 LYS 84 HB2 LYS 84 -4.861 -26.733 -2.095 659 HB3 LYS 84 HB3 LYS 84 -5.669 -27.834 -3.196 660 HG2 LYS 84 HG2 LYS 84 -5.899 -29.447 -1.256 661 HG3 LYS 84 HG3 LYS 84 -5.256 -28.176 -0.208 662 HD2 LYS 84 HD2 LYS 84 -7.873 -28.191 -1.755 663 HD3 LYS 84 HD3 LYS 84 -7.638 -28.052 -0.013 664 HE2 LYS 84 HE2 LYS 84 -6.973 -25.935 -2.101 665 HE3 LYS 84 HE3 LYS 84 -8.298 -25.888 -0.944 666 HZ1 LYS 84 HZ1 LYS 84 -6.399 -24.511 -0.284 667 HZ2 LYS 84 HZ2 LYS 84 -5.421 -25.884 -0.203 668 HZ3 LYS 84 HZ3 LYS 84 -6.733 -25.716 0.853 669 H LYS 85 H LYS 85 -4.610 -29.039 -4.916 670 HA LYS 85 HA LYS 85 -5.018 -31.892 -4.376 671 HB2 LYS 85 HB2 LYS 85 -5.876 -30.185 -6.760 672 HB3 LYS 85 HB3 LYS 85 -6.365 -31.853 -6.455 673 HG2 LYS 85 HG2 LYS 85 -7.070 -29.431 -4.748 674 HG3 LYS 85 HG3 LYS 85 -8.155 -30.287 -5.851 675 HD2 LYS 85 HD2 LYS 85 -7.986 -32.320 -4.443 676 HD3 LYS 85 HD3 LYS 85 -6.877 -31.483 -3.354 677 HE2 LYS 85 HE2 LYS 85 -9.062 -31.478 -2.334 678 HE3 LYS 85 HE3 LYS 85 -8.725 -29.832 -2.867 679 HZ1 LYS 85 HZ1 LYS 85 -10.090 -30.271 -4.840 680 HZ2 LYS 85 HZ2 LYS 85 -10.967 -30.453 -3.409 681 HZ3 LYS 85 HZ3 LYS 85 -10.445 -31.815 -4.253 682 H ALA 86 H ALA 86 -2.756 -29.822 -5.932 683 HA ALA 86 HA ALA 86 -1.545 -31.887 -7.611 684 HB1 ALA 86 HB1 ALA 86 0.117 -30.149 -8.166 685 HB2 ALA 86 HB2 ALA 86 -0.583 -29.069 -6.957 686 HB3 ALA 86 HB3 ALA 86 -1.525 -29.530 -8.374 687 H LYS 87 H LYS 87 -1.821 -32.558 -4.876 688 HA LYS 87 HA LYS 87 0.645 -32.370 -3.446 689 HB2 LYS 87 HB2 LYS 87 -1.559 -32.691 -2.329 690 HB3 LYS 87 HB3 LYS 87 -1.741 -34.249 -3.121 691 HG2 LYS 87 HG2 LYS 87 -1.083 -34.637 -0.844 692 HG3 LYS 87 HG3 LYS 87 0.271 -35.073 -1.893 693 HD2 LYS 87 HD2 LYS 87 1.321 -32.840 -1.384 694 HD3 LYS 87 HD3 LYS 87 -0.006 -32.510 -0.262 695 HE2 LYS 87 HE2 LYS 87 2.042 -34.745 -0.044 696 HE3 LYS 87 HE3 LYS 87 1.932 -33.315 0.983 697 HZ1 LYS 87 HZ1 LYS 87 0.995 -35.232 2.082 698 HZ2 LYS 87 HZ2 LYS 87 -0.084 -35.499 0.808 699 HZ3 LYS 87 HZ3 LYS 87 -0.229 -34.112 1.762 700 H GLN 88 H GLN 88 -0.735 -34.478 -5.834 701 HA GLN 88 HA GLN 88 1.173 -36.612 -5.735 702 HB2 GLN 88 HB2 GLN 88 -0.695 -35.682 -7.965 703 HB3 GLN 88 HB3 GLN 88 0.253 -37.159 -8.024 704 HG2 GLN 88 HG2 GLN 88 -1.976 -37.791 -7.452 705 HG3 GLN 88 HG3 GLN 88 -0.999 -37.980 -6.004 706 HE21 GLN 88 HE21 GLN 88 -3.513 -36.103 -7.548 707 HE22 GLN 88 HE22 GLN 88 -4.083 -35.311 -6.123 708 H GLN 89 H GLN 89 0.887 -33.544 -7.449 709 HA GLN 89 HA GLN 89 3.207 -33.836 -9.123 710 HB2 GLN 89 HB2 GLN 89 1.325 -32.404 -9.813 711 HB3 GLN 89 HB3 GLN 89 1.519 -31.409 -8.376 712 HG2 GLN 89 HG2 GLN 89 3.768 -30.700 -9.225 713 HG3 GLN 89 HG3 GLN 89 3.465 -31.618 -10.699 714 HE21 GLN 89 HE21 GLN 89 3.948 -28.761 -10.376 715 HE22 GLN 89 HE22 GLN 89 2.588 -27.955 -11.064 716 H LYS 90 H LYS 90 5.263 -33.610 -8.442 717 HA LYS 90 HA LYS 90 5.998 -32.594 -5.853 718 HB2 LYS 90 HB2 LYS 90 7.748 -33.334 -8.245 719 HB3 LYS 90 HB3 LYS 90 8.329 -33.028 -6.607 720 HG2 LYS 90 HG2 LYS 90 7.122 -35.003 -5.780 721 HG3 LYS 90 HG3 LYS 90 6.446 -35.288 -7.387 722 HD2 LYS 90 HD2 LYS 90 8.354 -36.794 -6.888 723 HD3 LYS 90 HD3 LYS 90 8.671 -35.763 -8.286 724 HE2 LYS 90 HE2 LYS 90 10.651 -35.950 -6.825 725 HE3 LYS 90 HE3 LYS 90 10.073 -34.289 -6.893 726 HZ1 LYS 90 HZ1 LYS 90 9.597 -36.214 -4.672 727 HZ2 LYS 90 HZ2 LYS 90 8.991 -34.640 -4.735 728 HZ3 LYS 90 HZ3 LYS 90 10.655 -34.899 -4.650 729 H THR 91 H THR 91 5.549 -30.446 -5.630 730 HA THR 91 HA THR 91 6.714 -28.514 -7.563 731 HB THR 91 HB THR 91 4.301 -28.271 -7.541 732 HG1 THR 91 HG1 THR 91 5.266 -26.299 -7.692 733 HG21 THR 91 HG21 THR 91 3.735 -29.279 -5.360 734 HG22 THR 91 HG22 THR 91 3.004 -27.680 -5.509 735 HG23 THR 91 HG23 THR 91 4.450 -27.899 -4.519 736 H LEU 92 H LEU 92 8.288 -27.227 -6.856 737 HA LEU 92 HA LEU 92 9.211 -27.311 -4.097 738 HB2 LEU 92 HB2 LEU 92 10.677 -27.425 -6.259 739 HB3 LEU 92 HB3 LEU 92 10.451 -25.694 -6.353 740 HG LEU 92 HG LEU 92 11.765 -27.109 -3.991 741 HD11 LEU 92 HD11 LEU 92 13.910 -26.321 -4.869 742 HD12 LEU 92 HD12 LEU 92 13.099 -25.667 -6.298 743 HD13 LEU 92 HD13 LEU 92 13.112 -27.409 -6.003 744 HD21 LEU 92 HD21 LEU 92 11.721 -24.149 -4.680 745 HD22 LEU 92 HD22 LEU 92 12.591 -24.890 -3.333 746 HD23 LEU 92 HD23 LEU 92 10.832 -24.918 -3.363 747 H LYS 93 H LYS 93 7.840 -26.110 -2.853 748 HA LYS 93 HA LYS 93 7.258 -23.311 -3.502 749 HB2 LYS 93 HB2 LYS 93 6.436 -25.003 -1.096 750 HB3 LYS 93 HB3 LYS 93 5.924 -23.339 -1.375 751 HG2 LYS 93 HG2 LYS 93 5.262 -25.737 -3.123 752 HG3 LYS 93 HG3 LYS 93 4.155 -24.925 -2.008 753 HD2 LYS 93 HD2 LYS 93 4.223 -22.879 -3.375 754 HD3 LYS 93 HD3 LYS 93 5.446 -23.589 -4.434 755 HE2 LYS 93 HE2 LYS 93 3.785 -25.347 -5.083 756 HE3 LYS 93 HE3 LYS 93 2.569 -24.506 -4.119 757 HZ1 LYS 93 HZ1 LYS 93 4.014 -23.382 -6.454 758 HZ2 LYS 93 HZ2 LYS 93 2.859 -22.566 -5.536 759 HZ3 LYS 93 HZ3 LYS 93 2.411 -23.917 -6.445 760 H GLN 94 H GLN 94 8.540 -21.716 -2.833 761 HA GLN 94 HA GLN 94 10.083 -21.877 -0.352 762 HB2 GLN 94 HB2 GLN 94 11.676 -22.759 -2.035 763 HB3 GLN 94 HB3 GLN 94 11.415 -21.345 -3.055 764 HG2 GLN 94 HG2 GLN 94 12.398 -19.912 -1.255 765 HG3 GLN 94 HG3 GLN 94 12.710 -21.367 -0.305 766 HE21 GLN 94 HE21 GLN 94 13.664 -19.506 -3.105 767 HE22 GLN 94 HE22 GLN 94 15.156 -20.330 -3.387 768 H SER 95 H SER 95 9.617 -19.950 -3.309 769 HA SER 95 HA SER 95 9.430 -17.773 -3.770 770 HB2 SER 95 HB2 SER 95 7.608 -16.549 -2.541 771 HB3 SER 95 HB3 SER 95 7.138 -18.148 -3.109 772 HG SER 95 HG SER 95 7.425 -18.917 -1.007 773 H ASP 96 H ASP 96 9.162 -17.175 -0.285 774 HA ASP 96 HA ASP 96 11.856 -16.666 0.307 775 HB2 ASP 96 HB2 ASP 96 11.519 -14.575 -1.041 776 HB3 ASP 96 HB3 ASP 96 10.154 -14.133 -0.018 777 H THR 97 H THR 97 12.004 -16.903 2.512 778 HA THR 97 HA THR 97 10.110 -15.944 4.394 779 HB THR 97 HB THR 97 8.707 -17.806 3.548 780 HG1 THR 97 HG1 THR 97 8.431 -17.302 5.692 781 HG21 THR 97 HG21 THR 97 9.312 -20.171 3.936 782 HG22 THR 97 HG22 THR 97 10.911 -19.686 4.501 783 HG23 THR 97 HG23 THR 97 10.450 -19.412 2.818 784 H LYS 98 H LYS 98 10.635 -16.622 6.602 785 HA LYS 98 HA LYS 98 13.256 -17.887 7.028 786 HB2 LYS 98 HB2 LYS 98 13.705 -15.445 6.983 787 HB3 LYS 98 HB3 LYS 98 12.425 -15.168 8.160 788 HG2 LYS 98 HG2 LYS 98 13.781 -16.620 9.781 789 HG3 LYS 98 HG3 LYS 98 15.104 -16.537 8.609 790 HD2 LYS 98 HD2 LYS 98 15.141 -14.074 8.817 791 HD3 LYS 98 HD3 LYS 98 13.769 -14.130 9.928 792 HE2 LYS 98 HE2 LYS 98 15.140 -15.353 11.565 793 HE3 LYS 98 HE3 LYS 98 16.506 -15.340 10.449 794 HZ1 LYS 98 HZ1 LYS 98 16.484 -12.910 10.561 795 HZ2 LYS 98 HZ2 LYS 98 16.737 -13.602 12.078 796 HZ3 LYS 98 HZ3 LYS 98 15.222 -12.961 11.682 797 H VAL 99 H VAL 99 13.249 -19.169 8.838 798 HA VAL 99 HA VAL 99 10.853 -19.791 10.218 799 HB VAL 99 HB VAL 99 12.256 -21.245 11.676 800 HG11 VAL 99 HG11 VAL 99 13.054 -22.780 9.905 801 HG12 VAL 99 HG12 VAL 99 12.901 -21.483 8.718 802 HG13 VAL 99 HG13 VAL 99 11.460 -22.111 9.520 803 HG21 VAL 99 HG21 VAL 99 14.291 -19.836 11.847 804 HG22 VAL 99 HG22 VAL 99 14.641 -20.127 10.140 805 HG23 VAL 99 HG23 VAL 99 14.691 -21.465 11.293 Start of MODEL 5 1 H2 GLY 1 H2 GLY 1 -6.552 11.456 27.756 2 H GLY 1 H1 GLY 1 -6.177 12.931 27.021 3 H3 GLY 1 H3 GLY 1 -7.346 11.922 26.336 4 HA2 GLY 1 HA2 GLY 1 -4.463 11.279 26.587 5 HA3 GLY 1 HA3 GLY 1 -5.689 10.254 25.844 6 H VAL 2 H VAL 2 -3.617 10.795 24.263 7 HA VAL 2 HA VAL 2 -3.652 13.268 22.837 8 HB VAL 2 HB VAL 2 -2.107 12.189 21.227 9 HG11 VAL 2 HG11 VAL 2 -1.441 11.486 24.113 10 HG12 VAL 2 HG12 VAL 2 -1.168 13.043 23.326 11 HG13 VAL 2 HG13 VAL 2 -0.276 11.619 22.790 12 HG21 VAL 2 HG21 VAL 2 -2.637 9.579 22.716 13 HG22 VAL 2 HG22 VAL 2 -1.438 9.815 21.442 14 HG23 VAL 2 HG23 VAL 2 -3.155 9.953 21.070 15 H GLU 3 H GLU 3 -4.249 13.621 20.597 16 HA GLU 3 HA GLU 3 -6.084 11.816 19.264 17 HB2 GLU 3 HB2 GLU 3 -7.548 12.860 20.992 18 HB3 GLU 3 HB3 GLU 3 -7.122 14.461 20.398 19 HG2 GLU 3 HG2 GLU 3 -8.207 13.956 18.237 20 HG3 GLU 3 HG3 GLU 3 -8.610 12.337 18.810 21 H LYS 4 H LYS 4 -5.639 12.037 17.168 22 HA LYS 4 HA LYS 4 -4.359 14.436 16.087 23 HB2 LYS 4 HB2 LYS 4 -4.162 13.053 13.978 24 HB3 LYS 4 HB3 LYS 4 -3.370 12.359 15.386 25 HG2 LYS 4 HG2 LYS 4 -5.330 10.818 15.675 26 HG3 LYS 4 HG3 LYS 4 -6.012 11.467 14.178 27 HD2 LYS 4 HD2 LYS 4 -4.007 10.688 12.934 28 HD3 LYS 4 HD3 LYS 4 -3.332 10.038 14.430 29 HE2 LYS 4 HE2 LYS 4 -4.337 8.242 13.106 30 HE3 LYS 4 HE3 LYS 4 -5.250 8.472 14.598 31 HZ1 LYS 4 HZ1 LYS 4 -6.649 8.173 12.609 32 HZ2 LYS 4 HZ2 LYS 4 -6.032 9.607 11.967 33 HZ3 LYS 4 HZ3 LYS 4 -6.939 9.641 13.391 34 H THR 5 H THR 5 -5.450 16.016 15.140 35 HA THR 5 HA THR 5 -8.329 15.912 14.943 36 HB THR 5 HB THR 5 -8.118 18.356 14.392 37 HG1 THR 5 HG1 THR 5 -6.226 19.211 13.922 38 HG21 THR 5 HG21 THR 5 -7.224 19.069 16.572 39 HG22 THR 5 HG22 THR 5 -6.466 17.492 16.799 40 HG23 THR 5 HG23 THR 5 -8.228 17.628 16.764 41 H ALA 6 H ALA 6 -9.314 15.163 13.191 42 HA ALA 6 HA ALA 6 -8.116 15.471 10.494 43 HB1 ALA 6 HB1 ALA 6 -9.338 13.421 9.868 44 HB2 ALA 6 HB2 ALA 6 -9.998 13.300 11.503 45 HB3 ALA 6 HB3 ALA 6 -8.263 13.122 11.237 46 H GLY 7 H GLY 7 -9.232 16.735 9.113 47 HA2 GLY 7 HA2 GLY 7 -10.922 17.931 8.120 48 HA3 GLY 7 HA3 GLY 7 -12.094 17.000 9.043 49 H GLU 8 H GLU 8 -9.477 18.865 10.439 50 HA GLU 8 HA GLU 8 -11.144 20.282 12.266 51 HB2 GLU 8 HB2 GLU 8 -8.883 19.571 12.851 52 HB3 GLU 8 HB3 GLU 8 -8.188 20.557 11.570 53 HG2 GLU 8 HG2 GLU 8 -8.782 22.603 12.744 54 HG3 GLU 8 HG3 GLU 8 -9.695 21.692 13.952 55 H THR 9 H THR 9 -10.204 20.950 9.050 56 HA THR 9 HA THR 9 -10.402 22.640 7.590 57 HB THR 9 HB THR 9 -12.059 24.302 9.531 58 HG1 THR 9 HG1 THR 9 -13.362 22.671 9.739 59 HG21 THR 9 HG21 THR 9 -11.614 25.219 7.244 60 HG22 THR 9 HG22 THR 9 -13.332 24.912 7.516 61 HG23 THR 9 HG23 THR 9 -12.377 23.787 6.546 62 H SER 10 H SER 10 -8.306 22.585 9.704 63 HA SER 10 HA SER 10 -7.551 25.182 10.518 64 HB2 SER 10 HB2 SER 10 -6.652 23.075 11.521 65 HB3 SER 10 HB3 SER 10 -5.773 22.750 10.026 66 HG SER 10 HG SER 10 -5.286 24.646 12.013 67 H ALA 11 H ALA 11 -7.022 26.813 9.214 68 HA ALA 11 HA ALA 11 -6.314 26.412 6.406 69 HB1 ALA 11 HB1 ALA 11 -6.741 28.830 6.206 70 HB2 ALA 11 HB2 ALA 11 -6.901 28.963 7.960 71 HB3 ALA 11 HB3 ALA 11 -8.076 28.025 7.035 72 H THR 12 H THR 12 -4.275 25.568 8.122 73 HA THR 12 HA THR 12 -2.212 27.675 8.193 74 HB THR 12 HB THR 12 -1.047 26.059 9.757 75 HG1 THR 12 HG1 THR 12 -3.167 24.580 10.450 76 HG21 THR 12 HG21 THR 12 -2.451 27.904 10.681 77 HG22 THR 12 HG22 THR 12 -2.514 26.463 11.699 78 HG23 THR 12 HG23 THR 12 -3.863 26.843 10.625 79 H ASP 13 H ASP 13 -1.732 27.581 6.018 80 HA ASP 13 HA ASP 13 -1.518 25.507 4.256 81 HB2 ASP 13 HB2 ASP 13 0.127 28.076 4.298 82 HB3 ASP 13 HB3 ASP 13 -0.003 27.005 2.904 83 H THR 14 H THR 14 0.955 26.483 6.552 84 HA THR 14 HA THR 14 2.753 24.354 5.590 85 HB THR 14 HB THR 14 3.573 27.156 6.507 86 HG1 THR 14 HG1 THR 14 3.109 25.992 4.011 87 HG21 THR 14 HG21 THR 14 5.312 24.893 5.449 88 HG22 THR 14 HG22 THR 14 5.307 25.498 7.110 89 HG23 THR 14 HG23 THR 14 5.862 26.531 5.786 90 H GLY 15 H GLY 15 3.837 23.203 7.151 91 HA2 GLY 15 HA2 GLY 15 4.713 22.676 9.227 92 HA3 GLY 15 HA3 GLY 15 3.838 24.017 9.951 93 H LYS 16 H LYS 16 1.370 23.716 9.971 94 HA LYS 16 HA LYS 16 1.031 21.524 11.766 95 HB2 LYS 16 HB2 LYS 16 -1.048 23.496 10.728 96 HB3 LYS 16 HB3 LYS 16 -1.338 22.324 12.002 97 HG2 LYS 16 HG2 LYS 16 -1.006 24.323 13.149 98 HG3 LYS 16 HG3 LYS 16 0.541 23.495 13.302 99 HD2 LYS 16 HD2 LYS 16 0.358 25.336 10.956 100 HD3 LYS 16 HD3 LYS 16 0.208 26.142 12.512 101 HE2 LYS 16 HE2 LYS 16 2.373 25.272 13.210 102 HE3 LYS 16 HE3 LYS 16 2.513 24.336 11.720 103 HZ1 LYS 16 HZ1 LYS 16 2.402 27.295 11.918 104 HZ2 LYS 16 HZ2 LYS 16 2.512 26.417 10.474 105 HZ3 LYS 16 HZ3 LYS 16 3.779 26.368 11.594 106 H ARG 17 H ARG 17 -0.503 22.345 8.622 107 HA ARG 17 HA ARG 17 -2.039 20.039 8.256 108 HB2 ARG 17 HB2 ARG 17 -0.696 21.820 6.188 109 HB3 ARG 17 HB3 ARG 17 -1.780 20.499 5.751 110 HG2 ARG 17 HG2 ARG 17 -3.583 21.617 7.099 111 HG3 ARG 17 HG3 ARG 17 -2.480 22.983 7.335 112 HD2 ARG 17 HD2 ARG 17 -2.379 23.360 4.925 113 HD3 ARG 17 HD3 ARG 17 -3.389 21.936 4.633 114 HE ARG 17 HE ARG 17 -4.919 23.502 6.253 115 HH11 ARG 17 HH11 ARG 17 -3.344 24.093 3.159 116 HH12 ARG 17 HH12 ARG 17 -4.531 25.233 2.642 117 HH21 ARG 17 HH21 ARG 17 -6.501 24.938 5.521 118 HH22 ARG 17 HH22 ARG 17 -6.322 25.715 3.982 119 H GLU 18 H GLU 18 1.361 20.676 7.462 120 HA GLU 18 HA GLU 18 1.883 18.270 6.067 121 HB2 GLU 18 HB2 GLU 18 3.750 20.205 7.486 122 HB3 GLU 18 HB3 GLU 18 4.314 18.851 6.503 123 HG2 GLU 18 HG2 GLU 18 3.170 19.789 4.534 124 HG3 GLU 18 HG3 GLU 18 2.585 21.142 5.502 125 H LYS 19 H LYS 19 2.040 19.093 9.518 126 HA LYS 19 HA LYS 19 3.345 16.738 10.436 127 HB2 LYS 19 HB2 LYS 19 1.427 18.640 11.848 128 HB3 LYS 19 HB3 LYS 19 2.294 17.342 12.668 129 HG2 LYS 19 HG2 LYS 19 4.440 18.378 12.150 130 HG3 LYS 19 HG3 LYS 19 3.644 19.632 11.194 131 HD2 LYS 19 HD2 LYS 19 4.260 20.485 13.425 132 HD3 LYS 19 HD3 LYS 19 2.507 20.477 13.215 133 HE2 LYS 19 HE2 LYS 19 2.336 18.424 14.555 134 HE3 LYS 19 HE3 LYS 19 4.092 18.348 14.701 135 HZ1 LYS 19 HZ1 LYS 19 3.106 19.257 16.679 136 HZ2 LYS 19 HZ2 LYS 19 2.338 20.473 15.796 137 HZ3 LYS 19 HZ3 LYS 19 4.021 20.448 15.909 138 H GLN 20 H GLN 20 -0.116 17.599 10.174 139 HA GLN 20 HA GLN 20 -1.222 15.141 11.040 140 HB2 GLN 20 HB2 GLN 20 -2.442 17.147 9.084 141 HB3 GLN 20 HB3 GLN 20 -3.320 15.935 10.018 142 HG2 GLN 20 HG2 GLN 20 -1.859 18.356 11.112 143 HG3 GLN 20 HG3 GLN 20 -3.605 18.156 10.998 144 HE21 GLN 20 HE21 GLN 20 -4.646 16.747 12.464 145 HE22 GLN 20 HE22 GLN 20 -3.885 16.247 13.928 146 H LEU 21 H LEU 21 -0.101 16.302 7.963 147 HA LEU 21 HA LEU 21 -1.115 14.284 6.243 148 HB2 LEU 21 HB2 LEU 21 -0.313 16.688 5.724 149 HB3 LEU 21 HB3 LEU 21 1.318 16.075 5.807 150 HG LEU 21 HG LEU 21 0.401 16.432 3.485 151 HD11 LEU 21 HD11 LEU 21 1.287 14.417 2.489 152 HD12 LEU 21 HD12 LEU 21 1.237 13.597 4.053 153 HD13 LEU 21 HD13 LEU 21 2.309 14.978 3.812 154 HD21 LEU 21 HD21 LEU 21 -1.903 15.694 3.871 155 HD22 LEU 21 HD22 LEU 21 -1.338 14.033 4.086 156 HD23 LEU 21 HD23 LEU 21 -1.157 14.835 2.523 157 H GLN 22 H GLN 22 1.909 14.744 8.060 158 HA GLN 22 HA GLN 22 3.319 12.456 7.100 159 HB2 GLN 22 HB2 GLN 22 3.642 14.094 9.643 160 HB3 GLN 22 HB3 GLN 22 4.733 12.779 9.209 161 HG2 GLN 22 HG2 GLN 22 5.481 13.957 7.238 162 HG3 GLN 22 HG3 GLN 22 4.265 15.213 7.463 163 HE21 GLN 22 HE21 GLN 22 5.715 16.909 7.636 164 HE22 GLN 22 HE22 GLN 22 6.804 17.095 8.966 165 H GLN 23 H GLN 23 1.110 12.976 9.824 166 HA GLN 23 HA GLN 23 1.399 10.440 11.056 167 HB2 GLN 23 HB2 GLN 23 -0.981 12.347 11.059 168 HB3 GLN 23 HB3 GLN 23 -0.817 10.950 12.126 169 HG2 GLN 23 HG2 GLN 23 1.209 11.934 13.122 170 HG3 GLN 23 HG3 GLN 23 1.067 13.330 12.053 171 HE21 GLN 23 HE21 GLN 23 1.077 13.208 14.973 172 HE22 GLN 23 HE22 GLN 23 -0.395 13.949 15.489 173 H TRP 24 H TRP 24 -0.727 11.636 8.490 174 HA TRP 24 HA TRP 24 -2.206 9.251 8.065 175 HB2 TRP 24 HB2 TRP 24 -3.012 11.439 7.258 176 HB3 TRP 24 HB3 TRP 24 -1.633 11.574 6.171 177 HD1 TRP 24 HD1 TRP 24 -3.661 8.289 6.415 178 HE1 TRP 24 HE1 TRP 24 -4.866 7.896 4.171 179 HE3 TRP 24 HE3 TRP 24 -2.597 12.734 4.130 180 HZ2 TRP 24 HZ2 TRP 24 -5.326 9.287 1.774 181 HZ3 TRP 24 HZ3 TRP 24 -3.465 13.134 1.860 182 HH2 TRP 24 HH2 TRP 24 -4.801 11.443 0.708 183 H LYS 25 H LYS 25 0.844 10.540 6.687 184 HA LYS 25 HA LYS 25 1.412 8.638 4.737 185 HB2 LYS 25 HB2 LYS 25 3.363 10.031 6.623 186 HB3 LYS 25 HB3 LYS 25 3.883 9.034 5.269 187 HG2 LYS 25 HG2 LYS 25 2.866 10.606 3.685 188 HG3 LYS 25 HG3 LYS 25 2.268 11.594 5.028 189 HD2 LYS 25 HD2 LYS 25 4.672 11.881 5.788 190 HD3 LYS 25 HD3 LYS 25 5.181 11.051 4.316 191 HE2 LYS 25 HE2 LYS 25 3.584 13.621 4.380 192 HE3 LYS 25 HE3 LYS 25 5.315 13.543 4.184 193 HZ1 LYS 25 HZ1 LYS 25 4.165 13.808 2.078 194 HZ2 LYS 25 HZ2 LYS 25 3.358 12.339 2.315 195 HZ3 LYS 25 HZ3 LYS 25 5.035 12.364 2.129 196 H ASN 26 H ASN 26 2.175 8.614 8.201 197 HA ASN 26 HA ASN 26 3.654 6.259 8.352 198 HB2 ASN 26 HB2 ASN 26 1.953 7.623 10.476 199 HB3 ASN 26 HB3 ASN 26 3.071 6.300 10.817 200 HD21 ASN 26 HD21 ASN 26 3.106 9.051 11.791 201 HD22 ASN 26 HD22 ASN 26 4.638 9.701 11.340 202 H ASN 27 H ASN 27 0.148 6.755 8.652 203 HA ASN 27 HA ASN 27 -0.485 4.100 9.478 204 HB2 ASN 27 HB2 ASN 27 -2.166 6.341 8.291 205 HB3 ASN 27 HB3 ASN 27 -2.850 4.791 8.767 206 HD21 ASN 27 HD21 ASN 27 -0.262 6.384 10.625 207 HD22 ASN 27 HD22 ASN 27 -1.267 6.760 11.972 208 H LEU 28 H LEU 28 -0.528 5.758 6.309 209 HA LEU 28 HA LEU 28 -1.552 3.653 4.750 210 HB2 LEU 28 HB2 LEU 28 0.382 5.854 3.923 211 HB3 LEU 28 HB3 LEU 28 -0.466 4.801 2.801 212 HG LEU 28 HG LEU 28 -1.716 6.894 4.618 213 HD11 LEU 28 HD11 LEU 28 -0.595 7.832 2.649 214 HD12 LEU 28 HD12 LEU 28 -2.343 8.025 2.547 215 HD13 LEU 28 HD13 LEU 28 -1.540 6.775 1.591 216 HD21 LEU 28 HD21 LEU 28 -3.107 4.958 2.740 217 HD22 LEU 28 HD22 LEU 28 -3.870 6.313 3.579 218 HD23 LEU 28 HD23 LEU 28 -3.207 4.970 4.505 219 H LYS 29 H LYS 29 1.815 4.558 5.475 220 HA LYS 29 HA LYS 29 3.118 2.584 3.945 221 HB2 LYS 29 HB2 LYS 29 4.068 4.071 6.422 222 HB3 LYS 29 HB3 LYS 29 5.111 3.102 5.381 223 HG2 LYS 29 HG2 LYS 29 4.663 4.621 3.498 224 HG3 LYS 29 HG3 LYS 29 3.593 5.589 4.518 225 HD2 LYS 29 HD2 LYS 29 6.570 5.149 4.987 226 HD3 LYS 29 HD3 LYS 29 5.846 6.606 4.303 227 HE2 LYS 29 HE2 LYS 29 4.659 7.030 6.415 228 HE3 LYS 29 HE3 LYS 29 5.306 5.540 7.099 229 HZ1 LYS 29 HZ1 LYS 29 6.523 7.469 7.849 230 HZ2 LYS 29 HZ2 LYS 29 6.906 7.886 6.255 231 HZ3 LYS 29 HZ3 LYS 29 7.515 6.463 6.922 232 H ASN 30 H ASN 30 1.901 2.567 7.282 233 HA ASN 30 HA ASN 30 3.052 0.132 8.140 234 HB2 ASN 30 HB2 ASN 30 0.483 1.508 9.023 235 HB3 ASN 30 HB3 ASN 30 1.133 0.072 9.815 236 HD21 ASN 30 HD21 ASN 30 0.687 2.752 10.882 237 HD22 ASN 30 HD22 ASN 30 2.214 3.294 11.477 238 H ASP 31 H ASP 31 -0.166 0.851 6.736 239 HA ASP 31 HA ASP 31 -1.133 -1.778 6.556 240 HB2 ASP 31 HB2 ASP 31 -1.781 0.741 4.979 241 HB3 ASP 31 HB3 ASP 31 -2.572 -0.786 4.602 242 H VAL 32 H VAL 32 0.803 0.102 4.230 243 HA VAL 32 HA VAL 32 0.826 -1.703 2.072 244 HB VAL 32 HB VAL 32 2.929 0.355 2.913 245 HG11 VAL 32 HG11 VAL 32 4.004 -1.336 1.460 246 HG12 VAL 32 HG12 VAL 32 3.845 0.205 0.616 247 HG13 VAL 32 HG13 VAL 32 2.736 -1.118 0.252 248 HG21 VAL 32 HG21 VAL 32 0.707 1.299 2.327 249 HG22 VAL 32 HG22 VAL 32 0.782 0.499 0.758 250 HG23 VAL 32 HG23 VAL 32 1.941 1.772 1.156 251 H ASP 33 H ASP 33 2.953 -1.460 4.919 252 HA ASP 33 HA ASP 33 4.645 -3.652 4.085 253 HB2 ASP 33 HB2 ASP 33 5.217 -1.527 5.616 254 HB3 ASP 33 HB3 ASP 33 4.731 -2.609 6.914 255 H ASN 34 H ASN 34 1.731 -3.316 5.917 256 HA ASN 34 HA ASN 34 1.940 -5.852 7.344 257 HB2 ASN 34 HB2 ASN 34 -0.324 -3.826 7.101 258 HB3 ASN 34 HB3 ASN 34 -0.482 -5.331 8.005 259 HD21 ASN 34 HD21 ASN 34 -0.661 -2.593 8.971 260 HD22 ASN 34 HD22 ASN 34 0.540 -2.423 10.195 261 H THR 35 H THR 35 0.663 -4.702 4.315 262 HA THR 35 HA THR 35 -1.043 -6.983 3.792 263 HB THR 35 HB THR 35 -1.101 -6.013 1.427 264 HG1 THR 35 HG1 THR 35 0.310 -3.869 2.649 265 HG21 THR 35 HG21 THR 35 -2.494 -4.057 2.013 266 HG22 THR 35 HG22 THR 35 -1.897 -4.123 3.672 267 HG23 THR 35 HG23 THR 35 -2.879 -5.446 3.035 268 H ILE 36 H ILE 36 -0.618 -8.295 1.739 269 HA ILE 36 HA ILE 36 1.975 -9.562 2.061 270 HB ILE 36 HB ILE 36 1.138 -11.368 0.660 271 HG12 ILE 36 HG12 ILE 36 -1.445 -9.800 0.188 272 HG13 ILE 36 HG13 ILE 36 -0.144 -9.902 -0.996 273 HG21 ILE 36 HG21 ILE 36 -0.781 -12.124 2.000 274 HG22 ILE 36 HG22 ILE 36 -1.030 -10.483 2.592 275 HG23 ILE 36 HG23 ILE 36 0.439 -11.362 3.027 276 HD11 ILE 36 HD11 ILE 36 -1.722 -12.243 0.075 277 HD12 ILE 36 HD12 ILE 36 -0.430 -12.321 -1.129 278 HD13 ILE 36 HD13 ILE 36 -1.928 -11.468 -1.493 279 H LEU 37 H LEU 37 1.799 -6.861 0.683 280 HA LEU 37 HA LEU 37 2.355 -7.105 -2.070 281 HB2 LEU 37 HB2 LEU 37 3.410 -4.963 -0.178 282 HB3 LEU 37 HB3 LEU 37 3.330 -4.854 -1.930 283 HG LEU 37 HG LEU 37 1.060 -4.725 0.066 284 HD11 LEU 37 HD11 LEU 37 1.920 -2.830 -2.134 285 HD12 LEU 37 HD12 LEU 37 2.195 -2.627 -0.401 286 HD13 LEU 37 HD13 LEU 37 0.553 -2.597 -1.035 287 HD21 LEU 37 HD21 LEU 37 -0.531 -4.658 -1.826 288 HD22 LEU 37 HD22 LEU 37 0.244 -6.224 -1.618 289 HD23 LEU 37 HD23 LEU 37 0.776 -5.146 -2.916 290 H SER 38 H SER 38 4.254 -7.271 -3.199 291 HA SER 38 HA SER 38 6.468 -8.670 -2.067 292 HB2 SER 38 HB2 SER 38 6.240 -7.248 -4.759 293 HB3 SER 38 HB3 SER 38 7.412 -8.501 -4.333 294 HG SER 38 HG SER 38 5.679 -9.401 -5.456 295 H HIS 39 H HIS 39 8.740 -7.875 -2.118 296 HA HIS 39 HA HIS 39 9.099 -5.706 -0.437 297 HB2 HIS 39 HB2 HIS 39 10.744 -7.538 -0.667 298 HB3 HIS 39 HB3 HIS 39 11.158 -6.993 -2.292 299 HD1 HIS 39 HD1 HIS 39 11.444 -5.881 1.327 300 HD2 HIS 39 HD2 HIS 39 13.131 -5.061 -2.363 301 HE1 HIS 39 HE1 HIS 39 13.405 -4.394 1.795 302 HE2 HIS 39 HE2 HIS 39 14.547 -4.164 -0.420 303 H GLU 40 H GLU 40 9.440 -5.810 -3.978 304 HA GLU 40 HA GLU 40 10.438 -3.172 -4.291 305 HB2 GLU 40 HB2 GLU 40 9.143 -5.115 -6.225 306 HB3 GLU 40 HB3 GLU 40 9.658 -3.513 -6.730 307 HG2 GLU 40 HG2 GLU 40 11.328 -5.221 -7.297 308 HG3 GLU 40 HG3 GLU 40 11.975 -4.023 -6.178 309 H GLN 41 H GLN 41 7.145 -4.503 -4.228 310 HA GLN 41 HA GLN 41 5.800 -2.101 -4.987 311 HB2 GLN 41 HB2 GLN 41 4.802 -4.529 -3.440 312 HB3 GLN 41 HB3 GLN 41 3.762 -3.197 -3.937 313 HG2 GLN 41 HG2 GLN 41 5.256 -5.099 -5.764 314 HG3 GLN 41 HG3 GLN 41 3.520 -5.061 -5.472 315 HE21 GLN 41 HE21 GLN 41 2.308 -3.295 -6.323 316 HE22 GLN 41 HE22 GLN 41 2.899 -2.361 -7.642 317 H LYS 42 H LYS 42 6.633 -3.566 -1.847 318 HA LYS 42 HA LYS 42 5.350 -1.714 -0.184 319 HB2 LYS 42 HB2 LYS 42 7.741 -3.521 0.316 320 HB3 LYS 42 HB3 LYS 42 7.056 -2.494 1.576 321 HG2 LYS 42 HG2 LYS 42 4.859 -3.647 1.257 322 HG3 LYS 42 HG3 LYS 42 5.641 -4.749 0.113 323 HD2 LYS 42 HD2 LYS 42 7.104 -5.609 1.860 324 HD3 LYS 42 HD3 LYS 42 6.535 -4.390 3.006 325 HE2 LYS 42 HE2 LYS 42 4.266 -5.409 2.912 326 HE3 LYS 42 HE3 LYS 42 4.891 -6.660 1.838 327 HZ1 LYS 42 HZ1 LYS 42 6.390 -7.365 3.582 328 HZ2 LYS 42 HZ2 LYS 42 4.789 -7.394 4.134 329 HZ3 LYS 42 HZ3 LYS 42 5.823 -6.141 4.609 330 H ASN 43 H ASN 43 8.755 -1.892 -1.200 331 HA ASN 43 HA ASN 43 9.719 0.450 -0.074 332 HB2 ASN 43 HB2 ASN 43 10.559 -1.059 -2.584 333 HB3 ASN 43 HB3 ASN 43 11.423 0.371 -2.030 334 HD21 ASN 43 HD21 ASN 43 13.290 -0.913 -1.815 335 HD22 ASN 43 HD22 ASN 43 13.506 -1.963 -0.460 336 H GLU 44 H GLU 44 8.205 -0.045 -3.269 337 HA GLU 44 HA GLU 44 8.678 2.546 -4.306 338 HB2 GLU 44 HB2 GLU 44 8.099 0.538 -5.692 339 HB3 GLU 44 HB3 GLU 44 6.461 0.595 -5.043 340 HG2 GLU 44 HG2 GLU 44 6.331 2.981 -6.001 341 HG3 GLU 44 HG3 GLU 44 7.810 2.590 -6.879 342 H PHE 45 H PHE 45 5.654 1.127 -2.948 343 HA PHE 45 HA PHE 45 4.060 3.425 -3.133 344 HB2 PHE 45 HB2 PHE 45 3.832 0.942 -1.406 345 HB3 PHE 45 HB3 PHE 45 2.675 2.255 -1.235 346 HD1 PHE 45 HD1 PHE 45 1.669 3.093 -3.607 347 HD2 PHE 45 HD2 PHE 45 3.182 -0.835 -2.818 348 HE1 PHE 45 HE1 PHE 45 0.283 2.182 -5.420 349 HE2 PHE 45 HE2 PHE 45 1.801 -1.730 -4.637 350 HZ PHE 45 HZ PHE 45 0.345 -0.227 -5.937 351 H LYS 46 H LYS 46 5.833 2.139 -0.282 352 HA LYS 46 HA LYS 46 4.967 4.071 1.567 353 HB2 LYS 46 HB2 LYS 46 7.511 2.398 1.575 354 HB3 LYS 46 HB3 LYS 46 6.949 3.351 2.949 355 HG2 LYS 46 HG2 LYS 46 4.855 1.982 2.991 356 HG3 LYS 46 HG3 LYS 46 5.517 0.981 1.694 357 HD2 LYS 46 HD2 LYS 46 6.753 1.342 4.455 358 HD3 LYS 46 HD3 LYS 46 5.824 -0.061 3.926 359 HE2 LYS 46 HE2 LYS 46 7.540 -0.634 2.294 360 HE3 LYS 46 HE3 LYS 46 8.435 0.845 2.661 361 HZ1 LYS 46 HZ1 LYS 46 8.774 0.016 4.907 362 HZ2 LYS 46 HZ2 LYS 46 9.417 -1.042 3.755 363 HZ3 LYS 46 HZ3 LYS 46 7.963 -1.412 4.524 364 H THR 47 H THR 47 7.803 4.066 -0.581 365 HA THR 47 HA THR 47 8.995 6.441 0.419 366 HB THR 47 HB THR 47 9.289 5.160 -2.328 367 HG1 THR 47 HG1 THR 47 10.625 3.828 -1.380 368 HG21 THR 47 HG21 THR 47 10.127 7.496 -2.322 369 HG22 THR 47 HG22 THR 47 11.457 6.344 -2.438 370 HG23 THR 47 HG23 THR 47 11.114 7.137 -0.900 371 H LYS 48 H LYS 48 6.808 5.797 -2.352 372 HA LYS 48 HA LYS 48 6.573 8.414 -3.336 373 HB2 LYS 48 HB2 LYS 48 4.640 6.070 -3.404 374 HB3 LYS 48 HB3 LYS 48 4.284 7.601 -4.198 375 HG2 LYS 48 HG2 LYS 48 6.271 7.351 -5.612 376 HG3 LYS 48 HG3 LYS 48 6.657 5.817 -4.826 377 HD2 LYS 48 HD2 LYS 48 4.638 4.788 -5.713 378 HD3 LYS 48 HD3 LYS 48 4.053 6.337 -6.324 379 HE2 LYS 48 HE2 LYS 48 5.904 6.409 -7.939 380 HE3 LYS 48 HE3 LYS 48 6.534 4.887 -7.306 381 HZ1 LYS 48 HZ1 LYS 48 5.270 4.538 -9.320 382 HZ2 LYS 48 HZ2 LYS 48 3.900 5.257 -8.632 383 HZ3 LYS 48 HZ3 LYS 48 4.492 3.802 -8.010 384 H ILE 49 H ILE 49 4.937 6.805 -0.671 385 HA ILE 49 HA ILE 49 2.955 8.758 -0.161 386 HB ILE 49 HB ILE 49 4.161 6.608 1.632 387 HG12 ILE 49 HG12 ILE 49 1.417 6.660 0.298 388 HG13 ILE 49 HG13 ILE 49 2.823 5.923 -0.455 389 HG21 ILE 49 HG21 ILE 49 1.685 8.282 2.173 390 HG22 ILE 49 HG22 ILE 49 3.217 8.419 3.037 391 HG23 ILE 49 HG23 ILE 49 2.261 6.938 3.165 392 HD11 ILE 49 HD11 ILE 49 1.591 5.064 2.163 393 HD12 ILE 49 HD12 ILE 49 2.977 4.315 1.367 394 HD13 ILE 49 HD13 ILE 49 1.390 4.272 0.600 395 H ASP 50 H ASP 50 6.316 8.349 1.013 396 HA ASP 50 HA ASP 50 6.166 10.537 2.909 397 HB2 ASP 50 HB2 ASP 50 8.495 8.896 1.837 398 HB3 ASP 50 HB3 ASP 50 8.760 10.271 2.905 399 H GLU 51 H GLU 51 7.424 10.173 -0.381 400 HA GLU 51 HA GLU 51 8.798 12.711 -0.361 401 HB2 GLU 51 HB2 GLU 51 8.270 10.868 -2.736 402 HB3 GLU 51 HB3 GLU 51 9.455 12.171 -2.654 403 HG2 GLU 51 HG2 GLU 51 9.498 9.576 -1.098 404 HG3 GLU 51 HG3 GLU 51 10.556 10.009 -2.435 405 H THR 52 H THR 52 5.695 11.522 -1.414 406 HA THR 52 HA THR 52 4.992 14.103 -2.667 407 HB THR 52 HB THR 52 3.396 11.496 -2.530 408 HG1 THR 52 HG1 THR 52 5.530 11.981 -3.923 409 HG21 THR 52 HG21 THR 52 1.941 13.453 -2.848 410 HG22 THR 52 HG22 THR 52 2.037 12.511 -4.334 411 HG23 THR 52 HG23 THR 52 2.959 14.006 -4.190 412 H ASN 53 H ASN 53 4.031 15.579 -1.429 413 HA ASN 53 HA ASN 53 2.705 14.875 1.124 414 HB2 ASN 53 HB2 ASN 53 3.528 17.594 0.026 415 HB3 ASN 53 HB3 ASN 53 2.866 17.298 1.633 416 HD21 ASN 53 HD21 ASN 53 5.457 18.437 0.760 417 HD22 ASN 53 HD22 ASN 53 6.664 17.499 1.566 418 H ASP 54 H ASP 54 1.859 15.250 -2.024 419 HA ASP 54 HA ASP 54 -0.371 17.026 -1.952 420 HB2 ASP 54 HB2 ASP 54 0.989 16.425 -4.018 421 HB3 ASP 54 HB3 ASP 54 0.235 14.836 -4.001 422 H SER 55 H SER 55 -2.404 16.622 -1.312 423 HA SER 55 HA SER 55 -3.115 14.319 0.123 424 HB2 SER 55 HB2 SER 55 -5.408 15.374 0.184 425 HB3 SER 55 HB3 SER 55 -4.107 16.462 0.668 426 HG SER 55 HG SER 55 -5.726 16.520 -1.598 427 H ASP 56 H ASP 56 -4.092 15.412 -3.139 428 HA ASP 56 HA ASP 56 -5.977 13.394 -3.729 429 HB2 ASP 56 HB2 ASP 56 -4.227 14.996 -5.653 430 HB3 ASP 56 HB3 ASP 56 -5.646 14.062 -6.125 431 H ALA 57 H ALA 57 -2.505 13.605 -4.284 432 HA ALA 57 HA ALA 57 -2.219 11.260 -5.867 433 HB1 ALA 57 HB1 ALA 57 -0.144 12.817 -4.304 434 HB2 ALA 57 HB2 ALA 57 -0.627 13.121 -5.974 435 HB3 ALA 57 HB3 ALA 57 0.194 11.614 -5.552 436 H LEU 58 H LEU 58 -1.879 11.939 -2.383 437 HA LEU 58 HA LEU 58 -0.952 9.317 -1.681 438 HB2 LEU 58 HB2 LEU 58 -2.171 11.497 0.051 439 HB3 LEU 58 HB3 LEU 58 -1.499 9.998 0.677 440 HG LEU 58 HG LEU 58 0.005 12.275 -0.659 441 HD11 LEU 58 HD11 LEU 58 1.216 12.360 1.490 442 HD12 LEU 58 HD12 LEU 58 0.165 11.087 2.126 443 HD13 LEU 58 HD13 LEU 58 -0.512 12.656 1.679 444 HD21 LEU 58 HD21 LEU 58 0.939 10.178 -1.501 445 HD22 LEU 58 HD22 LEU 58 1.107 9.566 0.148 446 HD23 LEU 58 HD23 LEU 58 2.057 10.956 -0.385 447 H LEU 59 H LEU 59 -4.124 10.850 -1.927 448 HA LEU 59 HA LEU 59 -5.733 8.820 -0.813 449 HB2 LEU 59 HB2 LEU 59 -6.273 10.865 -2.997 450 HB3 LEU 59 HB3 LEU 59 -7.512 9.738 -2.472 451 HG LEU 59 HG LEU 59 -6.165 11.756 -0.632 452 HD11 LEU 59 HD11 LEU 59 -8.883 11.949 -1.959 453 HD12 LEU 59 HD12 LEU 59 -7.464 12.930 -2.339 454 HD13 LEU 59 HD13 LEU 59 -8.225 13.063 -0.755 455 HD21 LEU 59 HD21 LEU 59 -7.018 9.790 0.558 456 HD22 LEU 59 HD22 LEU 59 -8.605 9.998 -0.192 457 HD23 LEU 59 HD23 LEU 59 -7.986 11.215 0.926 458 H GLU 60 H GLU 60 -4.407 9.281 -4.072 459 HA GLU 60 HA GLU 60 -5.701 7.036 -5.280 460 HB2 GLU 60 HB2 GLU 60 -4.812 9.061 -6.501 461 HB3 GLU 60 HB3 GLU 60 -3.179 8.481 -6.184 462 HG2 GLU 60 HG2 GLU 60 -3.654 6.429 -7.481 463 HG3 GLU 60 HG3 GLU 60 -5.285 7.015 -7.806 464 H LEU 61 H LEU 61 -2.411 7.557 -3.937 465 HA LEU 61 HA LEU 61 -1.342 4.982 -4.340 466 HB2 LEU 61 HB2 LEU 61 -0.787 7.086 -2.221 467 HB3 LEU 61 HB3 LEU 61 0.131 5.590 -2.304 468 HG LEU 61 HG LEU 61 -0.008 7.589 -4.599 469 HD11 LEU 61 HD11 LEU 61 2.218 8.344 -3.935 470 HD12 LEU 61 HD12 LEU 61 2.171 7.304 -2.508 471 HD13 LEU 61 HD13 LEU 61 1.041 8.656 -2.661 472 HD21 LEU 61 HD21 LEU 61 1.964 6.367 -5.444 473 HD22 LEU 61 HD22 LEU 61 0.554 5.319 -5.314 474 HD23 LEU 61 HD23 LEU 61 1.838 5.222 -4.103 475 H GLU 62 H GLU 62 -3.384 6.299 -1.809 476 HA GLU 62 HA GLU 62 -3.385 4.178 0.037 477 HB2 GLU 62 HB2 GLU 62 -4.212 6.377 0.638 478 HB3 GLU 62 HB3 GLU 62 -5.460 6.311 -0.599 479 HG2 GLU 62 HG2 GLU 62 -6.655 4.574 0.638 480 HG3 GLU 62 HG3 GLU 62 -5.361 4.507 1.837 481 H ASN 63 H ASN 63 -5.645 4.925 -2.653 482 HA ASN 63 HA ASN 63 -7.193 2.554 -2.446 483 HB2 ASN 63 HB2 ASN 63 -6.753 4.487 -4.756 484 HB3 ASN 63 HB3 ASN 63 -7.829 3.105 -4.888 485 HD21 ASN 63 HD21 ASN 63 -7.492 6.302 -3.722 486 HD22 ASN 63 HD22 ASN 63 -9.060 6.440 -3.019 487 H GLN 64 H GLN 64 -4.186 3.263 -4.114 488 HA GLN 64 HA GLN 64 -4.240 1.118 -5.965 489 HB2 GLN 64 HB2 GLN 64 -2.164 3.122 -5.119 490 HB3 GLN 64 HB3 GLN 64 -1.619 1.719 -6.033 491 HG2 GLN 64 HG2 GLN 64 -3.153 2.284 -7.860 492 HG3 GLN 64 HG3 GLN 64 -3.755 3.668 -6.945 493 HE21 GLN 64 HE21 GLN 64 -3.152 4.992 -8.713 494 HE22 GLN 64 HE22 GLN 64 -1.504 5.453 -8.967 495 H PHE 65 H PHE 65 -2.696 1.368 -2.710 496 HA PHE 65 HA PHE 65 -1.225 -1.064 -3.081 497 HB2 PHE 65 HB2 PHE 65 -0.493 -0.923 -0.819 498 HB3 PHE 65 HB3 PHE 65 -0.534 0.713 -1.441 499 HD1 PHE 65 HD1 PHE 65 -1.741 2.413 -0.253 500 HD2 PHE 65 HD2 PHE 65 -2.395 -1.695 0.756 501 HE1 PHE 65 HE1 PHE 65 -3.004 3.088 1.749 502 HE2 PHE 65 HE2 PHE 65 -3.666 -1.006 2.730 503 HZ PHE 65 HZ PHE 65 -3.970 1.384 3.236 504 H ASN 66 H ASN 66 -4.440 -0.350 -1.785 505 HA ASN 66 HA ASN 66 -5.023 -2.932 -0.732 506 HB2 ASN 66 HB2 ASN 66 -6.942 -0.799 -1.769 507 HB3 ASN 66 HB3 ASN 66 -7.437 -2.250 -0.899 508 HD21 ASN 66 HD21 ASN 66 -6.222 0.936 -0.634 509 HD22 ASN 66 HD22 ASN 66 -6.123 0.996 1.086 510 H GLU 67 H GLU 67 -5.354 -1.470 -3.930 511 HA GLU 67 HA GLU 67 -6.857 -3.544 -5.162 512 HB2 GLU 67 HB2 GLU 67 -6.763 -1.272 -6.094 513 HB3 GLU 67 HB3 GLU 67 -5.034 -1.425 -6.377 514 HG2 GLU 67 HG2 GLU 67 -6.240 -1.686 -8.473 515 HG3 GLU 67 HG3 GLU 67 -5.461 -3.209 -8.041 516 H THR 68 H THR 68 -3.360 -2.737 -5.223 517 HA THR 68 HA THR 68 -2.379 -4.858 -6.734 518 HB THR 68 HB THR 68 -0.988 -3.475 -4.380 519 HG1 THR 68 HG1 THR 68 -0.990 -2.812 -7.149 520 HG21 THR 68 HG21 THR 68 0.199 -5.536 -5.141 521 HG22 THR 68 HG22 THR 68 1.115 -4.070 -5.505 522 HG23 THR 68 HG23 THR 68 0.224 -4.891 -6.787 523 H ASN 69 H ASN 69 -2.907 -4.565 -3.248 524 HA ASN 69 HA ASN 69 -1.919 -7.013 -2.354 525 HB2 ASN 69 HB2 ASN 69 -2.434 -5.140 -0.839 526 HB3 ASN 69 HB3 ASN 69 -4.153 -5.289 -1.200 527 HD21 ASN 69 HD21 ASN 69 -1.537 -7.545 -0.271 528 HD22 ASN 69 HD22 ASN 69 -2.402 -8.267 1.037 529 H ARG 70 H ARG 70 -5.199 -6.072 -3.344 530 HA ARG 70 HA ARG 70 -6.554 -8.404 -2.572 531 HB2 ARG 70 HB2 ARG 70 -7.417 -5.998 -3.375 532 HB3 ARG 70 HB3 ARG 70 -7.503 -6.776 -4.947 533 HG2 ARG 70 HG2 ARG 70 -9.680 -6.904 -3.922 534 HG3 ARG 70 HG3 ARG 70 -8.992 -8.534 -3.931 535 HD2 ARG 70 HD2 ARG 70 -10.098 -7.982 -1.767 536 HD3 ARG 70 HD3 ARG 70 -8.372 -8.319 -1.567 537 HE ARG 70 HE ARG 70 -9.369 -5.543 -1.801 538 HH11 ARG 70 HH11 ARG 70 -7.641 -7.957 0.099 539 HH12 ARG 70 HH12 ARG 70 -7.077 -6.801 1.262 540 HH21 ARG 70 HH21 ARG 70 -8.591 -4.053 -0.316 541 HH22 ARG 70 HH22 ARG 70 -7.619 -4.579 1.024 542 H LEU 71 H LEU 71 -5.129 -7.400 -5.654 543 HA LEU 71 HA LEU 71 -5.884 -9.557 -7.276 544 HB2 LEU 71 HB2 LEU 71 -3.433 -7.761 -7.454 545 HB3 LEU 71 HB3 LEU 71 -3.977 -8.829 -8.742 546 HG LEU 71 HG LEU 71 -5.539 -6.455 -7.648 547 HD11 LEU 71 HD11 LEU 71 -4.087 -6.733 -10.293 548 HD12 LEU 71 HD12 LEU 71 -3.582 -5.737 -8.925 549 HD13 LEU 71 HD13 LEU 71 -5.077 -5.362 -9.778 550 HD21 LEU 71 HD21 LEU 71 -6.206 -8.309 -9.959 551 HD22 LEU 71 HD22 LEU 71 -7.091 -6.844 -9.516 552 HD23 LEU 71 HD23 LEU 71 -7.051 -8.213 -8.409 553 H LEU 72 H LEU 72 -3.062 -9.102 -5.168 554 HA LEU 72 HA LEU 72 -1.618 -11.432 -5.851 555 HB2 LEU 72 HB2 LEU 72 -1.726 -9.938 -3.206 556 HB3 LEU 72 HB3 LEU 72 -0.522 -11.151 -3.616 557 HG LEU 72 HG LEU 72 -0.863 -8.472 -5.015 558 HD11 LEU 72 HD11 LEU 72 -0.027 -8.238 -2.723 559 HD12 LEU 72 HD12 LEU 72 1.207 -7.822 -3.915 560 HD13 LEU 72 HD13 LEU 72 1.280 -9.377 -3.076 561 HD21 LEU 72 HD21 LEU 72 1.245 -9.012 -6.156 562 HD22 LEU 72 HD22 LEU 72 -0.019 -10.171 -6.555 563 HD23 LEU 72 HD23 LEU 72 1.250 -10.614 -5.409 564 H HIS 73 H HIS 73 -4.154 -10.850 -3.398 565 HA HIS 73 HA HIS 73 -4.049 -13.410 -2.159 566 HB2 HIS 73 HB2 HIS 73 -6.342 -11.394 -2.272 567 HB3 HIS 73 HB3 HIS 73 -6.376 -12.847 -1.284 568 HD1 HIS 73 HD1 HIS 73 -4.339 -12.932 0.584 569 HD2 HIS 73 HD2 HIS 73 -5.357 -9.229 -0.961 570 HE1 HIS 73 HE1 HIS 73 -3.381 -11.233 2.165 571 HE2 HIS 73 HE2 HIS 73 -4.301 -9.044 1.357 572 H ILE 74 H ILE 74 -6.027 -12.096 -4.793 573 HA ILE 74 HA ILE 74 -7.767 -14.327 -5.139 574 HB ILE 74 HB ILE 74 -7.011 -12.105 -7.103 575 HG12 ILE 74 HG12 ILE 74 -9.461 -12.287 -5.286 576 HG13 ILE 74 HG13 ILE 74 -8.031 -11.334 -4.919 577 HG21 ILE 74 HG21 ILE 74 -9.393 -14.004 -7.213 578 HG22 ILE 74 HG22 ILE 74 -8.011 -14.007 -8.312 579 HG23 ILE 74 HG23 ILE 74 -9.118 -12.635 -8.295 580 HD11 ILE 74 HD11 ILE 74 -9.885 -10.900 -7.261 581 HD12 ILE 74 HD12 ILE 74 -8.436 -9.956 -6.902 582 HD13 ILE 74 HD13 ILE 74 -9.799 -9.939 -5.785 583 H LYS 75 H LYS 75 -4.729 -13.333 -6.658 584 HA LYS 75 HA LYS 75 -4.551 -15.304 -8.684 585 HB2 LYS 75 HB2 LYS 75 -3.254 -13.190 -8.693 586 HB3 LYS 75 HB3 LYS 75 -2.357 -13.723 -7.274 587 HG2 LYS 75 HG2 LYS 75 -1.443 -15.629 -8.634 588 HG3 LYS 75 HG3 LYS 75 -2.269 -14.967 -10.046 589 HD2 LYS 75 HD2 LYS 75 -0.078 -13.595 -8.439 590 HD3 LYS 75 HD3 LYS 75 0.110 -14.330 -10.030 591 HE2 LYS 75 HE2 LYS 75 -1.433 -12.652 -10.992 592 HE3 LYS 75 HE3 LYS 75 -1.645 -11.926 -9.397 593 HZ1 LYS 75 HZ1 LYS 75 -0.047 -10.689 -10.677 594 HZ2 LYS 75 HZ2 LYS 75 0.896 -12.066 -10.929 595 HZ3 LYS 75 HZ3 LYS 75 0.737 -11.428 -9.374 596 H GLN 76 H GLN 76 -3.174 -15.112 -5.391 597 HA GLN 76 HA GLN 76 -1.751 -17.585 -5.593 598 HB2 GLN 76 HB2 GLN 76 -0.987 -17.210 -3.393 599 HB3 GLN 76 HB3 GLN 76 -1.152 -15.602 -4.081 600 HG2 GLN 76 HG2 GLN 76 -3.244 -15.263 -2.861 601 HG3 GLN 76 HG3 GLN 76 -3.151 -16.897 -2.208 602 HE21 GLN 76 HE21 GLN 76 -0.389 -14.672 -2.534 603 HE22 GLN 76 HE22 GLN 76 -0.138 -14.495 -0.836 604 H HIS 77 H HIS 77 -4.959 -16.646 -4.538 605 HA HIS 77 HA HIS 77 -5.739 -18.799 -2.937 606 HB2 HIS 77 HB2 HIS 77 -7.144 -16.808 -3.099 607 HB3 HIS 77 HB3 HIS 77 -7.396 -17.060 -4.822 608 HD1 HIS 77 HD1 HIS 77 -8.423 -18.487 -1.452 609 HD2 HIS 77 HD2 HIS 77 -9.533 -18.733 -5.450 610 HE1 HIS 77 HE1 HIS 77 -10.597 -19.738 -1.484 611 HE2 HIS 77 HE2 HIS 77 -11.239 -19.878 -3.904 612 H GLU 78 H GLU 78 -5.539 -18.502 -6.435 613 HA GLU 78 HA GLU 78 -6.966 -20.812 -7.176 614 HB2 GLU 78 HB2 GLU 78 -4.634 -19.469 -8.602 615 HB3 GLU 78 HB3 GLU 78 -5.754 -20.620 -9.332 616 HG2 GLU 78 HG2 GLU 78 -6.437 -17.856 -8.271 617 HG3 GLU 78 HG3 GLU 78 -6.331 -18.326 -9.966 618 H GLU 79 H GLU 79 -3.486 -20.335 -6.472 619 HA GLU 79 HA GLU 79 -2.798 -23.093 -6.778 620 HB2 GLU 79 HB2 GLU 79 -1.310 -20.763 -5.531 621 HB3 GLU 79 HB3 GLU 79 -0.640 -22.392 -5.576 622 HG2 GLU 79 HG2 GLU 79 -1.378 -20.671 -7.963 623 HG3 GLU 79 HG3 GLU 79 0.249 -21.091 -7.427 624 H VAL 80 H VAL 80 -3.984 -21.204 -4.064 625 HA VAL 80 HA VAL 80 -3.308 -23.090 -2.020 626 HB VAL 80 HB VAL 80 -5.524 -20.983 -1.981 627 HG11 VAL 80 HG11 VAL 80 -4.169 -22.434 0.333 628 HG12 VAL 80 HG12 VAL 80 -5.827 -22.691 -0.217 629 HG13 VAL 80 HG13 VAL 80 -5.364 -21.141 0.485 630 HG21 VAL 80 HG21 VAL 80 -3.316 -19.971 -2.408 631 HG22 VAL 80 HG22 VAL 80 -2.645 -20.782 -0.998 632 HG23 VAL 80 HG23 VAL 80 -3.886 -19.542 -0.798 633 H GLU 81 H GLU 81 -6.197 -22.555 -4.020 634 HA GLU 81 HA GLU 81 -7.750 -24.712 -3.028 635 HB2 GLU 81 HB2 GLU 81 -7.856 -23.305 -5.731 636 HB3 GLU 81 HB3 GLU 81 -9.066 -24.447 -5.149 637 HG2 GLU 81 HG2 GLU 81 -8.422 -21.721 -3.993 638 HG3 GLU 81 HG3 GLU 81 -9.881 -22.193 -4.860 639 H LYS 82 H LYS 82 -5.286 -24.413 -5.503 640 HA LYS 82 HA LYS 82 -5.560 -26.952 -6.738 641 HB2 LYS 82 HB2 LYS 82 -4.416 -25.040 -7.772 642 HB3 LYS 82 HB3 LYS 82 -3.210 -25.027 -6.507 643 HG2 LYS 82 HG2 LYS 82 -3.478 -27.453 -8.271 644 HG3 LYS 82 HG3 LYS 82 -2.672 -26.008 -8.883 645 HD2 LYS 82 HD2 LYS 82 -1.208 -26.159 -6.729 646 HD3 LYS 82 HD3 LYS 82 -1.842 -27.800 -6.576 647 HE2 LYS 82 HE2 LYS 82 0.328 -27.817 -7.713 648 HE3 LYS 82 HE3 LYS 82 -0.944 -28.338 -8.821 649 HZ1 LYS 82 HZ1 LYS 82 -0.953 -26.172 -9.833 650 HZ2 LYS 82 HZ2 LYS 82 0.631 -26.754 -9.828 651 HZ3 LYS 82 HZ3 LYS 82 0.161 -25.580 -8.709 652 H ASP 83 H ASP 83 -3.745 -25.797 -3.908 653 HA ASP 83 HA ASP 83 -2.389 -28.299 -3.424 654 HB2 ASP 83 HB2 ASP 83 -2.614 -25.693 -1.914 655 HB3 ASP 83 HB3 ASP 83 -2.023 -27.111 -1.056 656 H LYS 84 H LYS 84 -5.366 -26.806 -2.229 657 HA LYS 84 HA LYS 84 -5.981 -28.762 -0.242 658 HB2 LYS 84 HB2 LYS 84 -7.825 -26.903 -1.805 659 HB3 LYS 84 HB3 LYS 84 -8.332 -27.881 -0.427 660 HG2 LYS 84 HG2 LYS 84 -6.761 -26.655 1.026 661 HG3 LYS 84 HG3 LYS 84 -6.260 -25.666 -0.351 662 HD2 LYS 84 HD2 LYS 84 -8.615 -24.839 -0.573 663 HD3 LYS 84 HD3 LYS 84 -9.060 -25.796 0.844 664 HE2 LYS 84 HE2 LYS 84 -7.107 -23.476 0.776 665 HE3 LYS 84 HE3 LYS 84 -8.723 -23.468 1.482 666 HZ1 LYS 84 HZ1 LYS 84 -6.401 -25.072 2.412 667 HZ2 LYS 84 HZ2 LYS 84 -7.958 -25.174 3.057 668 HZ3 LYS 84 HZ3 LYS 84 -7.084 -23.736 3.190 669 H LYS 85 H LYS 85 -6.718 -28.458 -3.686 670 HA LYS 85 HA LYS 85 -8.287 -30.945 -3.741 671 HB2 LYS 85 HB2 LYS 85 -7.729 -28.880 -5.916 672 HB3 LYS 85 HB3 LYS 85 -8.783 -30.281 -6.104 673 HG2 LYS 85 HG2 LYS 85 -10.348 -29.404 -4.468 674 HG3 LYS 85 HG3 LYS 85 -9.255 -28.069 -4.073 675 HD2 LYS 85 HD2 LYS 85 -9.498 -27.210 -6.397 676 HD3 LYS 85 HD3 LYS 85 -10.622 -28.522 -6.761 677 HE2 LYS 85 HE2 LYS 85 -11.855 -26.467 -6.305 678 HE3 LYS 85 HE3 LYS 85 -12.168 -27.641 -5.026 679 HZ1 LYS 85 HZ1 LYS 85 -10.309 -25.335 -4.881 680 HZ2 LYS 85 HZ2 LYS 85 -10.509 -26.483 -3.660 681 HZ3 LYS 85 HZ3 LYS 85 -11.795 -25.474 -4.092 682 H ALA 86 H ALA 86 -5.110 -30.392 -3.697 683 HA ALA 86 HA ALA 86 -4.053 -31.656 -5.990 684 HB1 ALA 86 HB1 ALA 86 -2.659 -30.265 -4.527 685 HB2 ALA 86 HB2 ALA 86 -1.957 -31.878 -4.677 686 HB3 ALA 86 HB3 ALA 86 -2.835 -31.428 -3.211 687 H LYS 87 H LYS 87 -4.156 -33.701 -6.578 688 HA LYS 87 HA LYS 87 -4.009 -35.893 -4.633 689 HB2 LYS 87 HB2 LYS 87 -6.412 -35.653 -5.246 690 HB3 LYS 87 HB3 LYS 87 -5.994 -35.765 -6.954 691 HG2 LYS 87 HG2 LYS 87 -5.140 -38.076 -6.569 692 HG3 LYS 87 HG3 LYS 87 -5.640 -37.957 -4.878 693 HD2 LYS 87 HD2 LYS 87 -7.993 -37.741 -5.560 694 HD3 LYS 87 HD3 LYS 87 -7.522 -37.732 -7.263 695 HE2 LYS 87 HE2 LYS 87 -6.602 -40.040 -6.964 696 HE3 LYS 87 HE3 LYS 87 -7.230 -40.039 -5.314 697 HZ1 LYS 87 HZ1 LYS 87 -9.451 -39.797 -6.190 698 HZ2 LYS 87 HZ2 LYS 87 -8.713 -41.156 -6.864 699 HZ3 LYS 87 HZ3 LYS 87 -8.868 -39.744 -7.774 700 H GLN 88 H GLN 88 -4.137 -35.142 -8.133 701 HA GLN 88 HA GLN 88 -2.194 -37.160 -8.807 702 HB2 GLN 88 HB2 GLN 88 -2.259 -35.994 -11.124 703 HB3 GLN 88 HB3 GLN 88 -3.709 -36.796 -10.549 704 HG2 GLN 88 HG2 GLN 88 -4.408 -34.781 -11.579 705 HG3 GLN 88 HG3 GLN 88 -4.597 -34.561 -9.843 706 HE21 GLN 88 HE21 GLN 88 -1.549 -34.273 -11.645 707 HE22 GLN 88 HE22 GLN 88 -1.361 -32.578 -11.371 708 H GLN 89 H GLN 89 -1.830 -34.145 -7.396 709 HA GLN 89 HA GLN 89 0.786 -33.490 -8.414 710 HB2 GLN 89 HB2 GLN 89 -1.072 -32.041 -7.033 711 HB3 GLN 89 HB3 GLN 89 -0.081 -32.547 -5.679 712 HG2 GLN 89 HG2 GLN 89 0.887 -30.981 -8.096 713 HG3 GLN 89 HG3 GLN 89 0.506 -30.292 -6.528 714 HE21 GLN 89 HE21 GLN 89 1.929 -30.684 -4.782 715 HE22 GLN 89 HE22 GLN 89 3.557 -31.199 -5.038 716 H LYS 90 H LYS 90 2.773 -34.021 -7.480 717 HA LYS 90 HA LYS 90 2.987 -36.418 -5.897 718 HB2 LYS 90 HB2 LYS 90 5.123 -34.461 -6.856 719 HB3 LYS 90 HB3 LYS 90 5.442 -36.055 -6.168 720 HG2 LYS 90 HG2 LYS 90 4.336 -37.138 -8.064 721 HG3 LYS 90 HG3 LYS 90 3.870 -35.566 -8.725 722 HD2 LYS 90 HD2 LYS 90 6.283 -35.002 -9.029 723 HD3 LYS 90 HD3 LYS 90 6.724 -36.595 -8.404 724 HE2 LYS 90 HE2 LYS 90 5.558 -37.659 -10.301 725 HE3 LYS 90 HE3 LYS 90 5.088 -36.071 -10.909 726 HZ1 LYS 90 HZ1 LYS 90 6.996 -36.894 -12.090 727 HZ2 LYS 90 HZ2 LYS 90 7.864 -37.089 -10.652 728 HZ3 LYS 90 HZ3 LYS 90 7.442 -35.544 -11.176 729 H THR 91 H THR 91 4.597 -36.432 -3.981 730 HA THR 91 HA THR 91 4.939 -36.049 -1.787 731 HB THR 91 HB THR 91 4.464 -33.079 -2.387 732 HG1 THR 91 HG1 THR 91 6.611 -34.814 -2.883 733 HG21 THR 91 HG21 THR 91 6.090 -34.388 -0.164 734 HG22 THR 91 HG22 THR 91 4.552 -33.551 0.053 735 HG23 THR 91 HG23 THR 91 5.977 -32.653 -0.473 736 H LEU 92 H LEU 92 2.319 -36.642 -2.913 737 HA LEU 92 HA LEU 92 0.228 -35.304 -1.507 738 HB2 LEU 92 HB2 LEU 92 -0.088 -36.568 -3.644 739 HB3 LEU 92 HB3 LEU 92 0.238 -38.071 -2.790 740 HG LEU 92 HG LEU 92 -1.808 -37.610 -1.341 741 HD11 LEU 92 HD11 LEU 92 -3.451 -35.958 -2.124 742 HD12 LEU 92 HD12 LEU 92 -2.297 -35.372 -3.325 743 HD13 LEU 92 HD13 LEU 92 -1.948 -35.201 -1.601 744 HD21 LEU 92 HD21 LEU 92 -2.318 -37.867 -4.317 745 HD22 LEU 92 HD22 LEU 92 -3.457 -38.287 -3.035 746 HD23 LEU 92 HD23 LEU 92 -1.947 -39.182 -3.201 747 H LYS 93 H LYS 93 0.290 -35.315 0.679 748 HA LYS 93 HA LYS 93 0.600 -37.896 2.121 749 HB2 LYS 93 HB2 LYS 93 1.252 -35.085 3.115 750 HB3 LYS 93 HB3 LYS 93 1.368 -36.562 4.073 751 HG2 LYS 93 HG2 LYS 93 3.109 -37.424 2.551 752 HG3 LYS 93 HG3 LYS 93 2.997 -35.961 1.575 753 HD2 LYS 93 HD2 LYS 93 3.795 -35.939 4.517 754 HD3 LYS 93 HD3 LYS 93 4.962 -36.103 3.207 755 HE2 LYS 93 HE2 LYS 93 4.951 -33.796 3.860 756 HE3 LYS 93 HE3 LYS 93 4.140 -33.887 2.301 757 HZ1 LYS 93 HZ1 LYS 93 2.767 -33.705 4.933 758 HZ2 LYS 93 HZ2 LYS 93 2.022 -33.689 3.413 759 HZ3 LYS 93 HZ3 LYS 93 3.024 -32.413 3.876 760 H GLN 94 H GLN 94 -1.617 -38.268 1.697 761 HA GLN 94 HA GLN 94 -3.428 -37.025 3.692 762 HB2 GLN 94 HB2 GLN 94 -4.178 -37.945 0.871 763 HB3 GLN 94 HB3 GLN 94 -5.328 -37.443 2.106 764 HG2 GLN 94 HG2 GLN 94 -4.422 -35.175 2.069 765 HG3 GLN 94 HG3 GLN 94 -3.192 -35.661 0.905 766 HE21 GLN 94 HE21 GLN 94 -4.989 -37.324 -0.706 767 HE22 GLN 94 HE22 GLN 94 -6.010 -36.222 -1.556 768 H SER 95 H SER 95 -3.510 -38.573 5.193 769 HA SER 95 HA SER 95 -3.886 -41.420 4.436 770 HB2 SER 95 HB2 SER 95 -2.163 -40.381 6.746 771 HB3 SER 95 HB3 SER 95 -2.374 -42.072 6.260 772 HG SER 95 HG SER 95 -1.587 -40.939 4.100 773 H ASP 96 H ASP 96 -5.579 -42.397 5.468 774 HA ASP 96 HA ASP 96 -7.391 -40.878 7.045 775 HB2 ASP 96 HB2 ASP 96 -8.143 -42.760 5.587 776 HB3 ASP 96 HB3 ASP 96 -7.327 -43.905 6.649 777 H THR 97 H THR 97 -7.317 -40.478 9.144 778 HA THR 97 HA THR 97 -6.007 -42.329 11.018 779 HB THR 97 HB THR 97 -4.349 -40.605 10.524 780 HG1 THR 97 HG1 THR 97 -5.488 -40.177 13.101 781 HG21 THR 97 HG21 THR 97 -4.695 -38.229 11.090 782 HG22 THR 97 HG22 THR 97 -6.385 -38.557 11.469 783 HG23 THR 97 HG23 THR 97 -5.802 -38.745 9.813 784 H LYS 98 H LYS 98 -6.957 -42.479 12.975 785 HA LYS 98 HA LYS 98 -9.049 -40.813 13.976 786 HB2 LYS 98 HB2 LYS 98 -10.896 -42.559 13.746 787 HB3 LYS 98 HB3 LYS 98 -10.425 -41.789 12.234 788 HG2 LYS 98 HG2 LYS 98 -9.030 -43.783 11.677 789 HG3 LYS 98 HG3 LYS 98 -9.578 -44.553 13.171 790 HD2 LYS 98 HD2 LYS 98 -11.920 -44.497 12.332 791 HD3 LYS 98 HD3 LYS 98 -11.366 -43.729 10.840 792 HE2 LYS 98 HE2 LYS 98 -10.044 -45.717 10.283 793 HE3 LYS 98 HE3 LYS 98 -10.509 -46.481 11.804 794 HZ1 LYS 98 HZ1 LYS 98 -12.363 -45.756 9.601 795 HZ2 LYS 98 HZ2 LYS 98 -12.796 -46.492 11.056 796 HZ3 LYS 98 HZ3 LYS 98 -11.810 -47.312 9.960 797 H VAL 99 H VAL 99 -9.310 -41.227 16.149 798 HA VAL 99 HA VAL 99 -7.621 -43.255 17.399 799 HB VAL 99 HB VAL 99 -9.364 -41.091 18.679 800 HG11 VAL 99 HG11 VAL 99 -7.282 -42.898 19.982 801 HG12 VAL 99 HG12 VAL 99 -9.025 -42.960 20.248 802 HG13 VAL 99 HG13 VAL 99 -8.107 -41.550 20.774 803 HG21 VAL 99 HG21 VAL 99 -7.508 -40.137 17.353 804 HG22 VAL 99 HG22 VAL 99 -6.350 -41.144 18.225 805 HG23 VAL 99 HG23 VAL 99 -7.239 -39.881 19.079 Start of MODEL 6 1 H2 GLY 1 H2 GLY 1 -31.042 38.674 1.889 2 H GLY 1 H1 GLY 1 -30.001 38.871 0.578 3 H3 GLY 1 H3 GLY 1 -31.525 39.607 0.568 4 HA2 GLY 1 HA2 GLY 1 -32.606 37.458 0.520 5 HA3 GLY 1 HA3 GLY 1 -31.518 37.649 -0.852 6 H VAL 2 H VAL 2 -30.320 35.853 -1.231 7 HA VAL 2 HA VAL 2 -29.456 34.202 1.077 8 HB VAL 2 HB VAL 2 -29.483 32.210 -0.381 9 HG11 VAL 2 HG11 VAL 2 -31.429 32.639 1.027 10 HG12 VAL 2 HG12 VAL 2 -31.928 31.872 -0.478 11 HG13 VAL 2 HG13 VAL 2 -32.186 33.603 -0.246 12 HG21 VAL 2 HG21 VAL 2 -30.577 32.229 -2.599 13 HG22 VAL 2 HG22 VAL 2 -29.156 33.270 -2.575 14 HG23 VAL 2 HG23 VAL 2 -30.768 33.982 -2.503 15 H GLU 3 H GLU 3 -27.405 33.385 1.092 16 HA GLU 3 HA GLU 3 -25.390 34.748 -0.566 17 HB2 GLU 3 HB2 GLU 3 -25.089 33.039 1.961 18 HB3 GLU 3 HB3 GLU 3 -23.772 33.872 1.137 19 HG2 GLU 3 HG2 GLU 3 -24.304 35.199 3.025 20 HG3 GLU 3 HG3 GLU 3 -24.966 36.059 1.639 21 H LYS 4 H LYS 4 -23.380 33.254 -1.067 22 HA LYS 4 HA LYS 4 -23.842 30.416 -1.190 23 HB2 LYS 4 HB2 LYS 4 -25.057 31.156 -3.264 24 HB3 LYS 4 HB3 LYS 4 -23.577 31.900 -3.855 25 HG2 LYS 4 HG2 LYS 4 -23.986 29.731 -4.940 26 HG3 LYS 4 HG3 LYS 4 -22.489 29.705 -4.004 27 HD2 LYS 4 HD2 LYS 4 -23.765 27.616 -3.716 28 HD3 LYS 4 HD3 LYS 4 -23.623 28.487 -2.189 29 HE2 LYS 4 HE2 LYS 4 -25.927 29.326 -2.446 30 HE3 LYS 4 HE3 LYS 4 -26.068 28.492 -3.996 31 HZ1 LYS 4 HZ1 LYS 4 -27.088 27.230 -2.189 32 HZ2 LYS 4 HZ2 LYS 4 -25.614 27.173 -1.368 33 HZ3 LYS 4 HZ3 LYS 4 -25.778 26.385 -2.853 34 H THR 5 H THR 5 -21.772 32.387 -3.330 35 HA THR 5 HA THR 5 -19.601 32.176 -3.878 36 HB THR 5 HB THR 5 -19.089 32.165 -0.863 37 HG1 THR 5 HG1 THR 5 -19.366 34.446 -2.554 38 HG21 THR 5 HG21 THR 5 -17.389 33.250 -3.161 39 HG22 THR 5 HG22 THR 5 -17.025 31.814 -2.203 40 HG23 THR 5 HG23 THR 5 -17.019 33.398 -1.434 41 H ALA 6 H ALA 6 -20.399 29.947 -4.565 42 HA ALA 6 HA ALA 6 -19.602 27.634 -3.043 43 HB1 ALA 6 HB1 ALA 6 -21.543 27.541 -4.552 44 HB2 ALA 6 HB2 ALA 6 -20.332 26.339 -5.008 45 HB3 ALA 6 HB3 ALA 6 -20.491 27.831 -5.939 46 H GLY 7 H GLY 7 -17.412 28.001 -2.665 47 HA2 GLY 7 HA2 GLY 7 -15.490 26.697 -3.992 48 HA3 GLY 7 HA3 GLY 7 -15.504 28.237 -4.841 49 H GLU 8 H GLU 8 -14.396 26.582 -2.080 50 HA GLU 8 HA GLU 8 -13.659 28.927 -0.544 51 HB2 GLU 8 HB2 GLU 8 -12.877 26.003 -0.210 52 HB3 GLU 8 HB3 GLU 8 -12.602 27.284 0.971 53 HG2 GLU 8 HG2 GLU 8 -15.038 27.577 1.252 54 HG3 GLU 8 HG3 GLU 8 -15.329 26.357 0.017 55 H THR 9 H THR 9 -12.447 27.505 -3.301 56 HA THR 9 HA THR 9 -10.635 27.749 -4.586 57 HB THR 9 HB THR 9 -9.679 29.832 -2.558 58 HG1 THR 9 HG1 THR 9 -11.777 30.055 -3.853 59 HG21 THR 9 HG21 THR 9 -7.813 29.050 -4.007 60 HG22 THR 9 HG22 THR 9 -8.282 30.711 -4.392 61 HG23 THR 9 HG23 THR 9 -8.783 29.377 -5.436 62 H SER 10 H SER 10 -9.551 25.876 -4.635 63 HA SER 10 HA SER 10 -8.401 24.452 -2.565 64 HB2 SER 10 HB2 SER 10 -7.601 24.466 -5.503 65 HB3 SER 10 HB3 SER 10 -7.136 23.219 -4.342 66 HG SER 10 HG SER 10 -8.925 22.336 -5.028 67 H ALA 11 H ALA 11 -6.738 24.909 -1.253 68 HA ALA 11 HA ALA 11 -4.460 26.536 -2.239 69 HB1 ALA 11 HB1 ALA 11 -5.832 26.813 0.462 70 HB2 ALA 11 HB2 ALA 11 -5.930 27.953 -0.880 71 HB3 ALA 11 HB3 ALA 11 -4.390 27.688 -0.062 72 H THR 12 H THR 12 -2.464 25.833 -1.670 73 HA THR 12 HA THR 12 -2.108 23.258 -0.455 74 HB THR 12 HB THR 12 0.395 23.913 -0.656 75 HG1 THR 12 HG1 THR 12 -0.226 25.852 -2.503 76 HG21 THR 12 HG21 THR 12 0.423 23.580 -3.095 77 HG22 THR 12 HG22 THR 12 -1.298 23.967 -3.184 78 HG23 THR 12 HG23 THR 12 -0.756 22.508 -2.347 79 H ASP 13 H ASP 13 -3.053 23.523 1.573 80 HA ASP 13 HA ASP 13 -2.224 25.524 3.473 81 HB2 ASP 13 HB2 ASP 13 -4.529 24.764 3.446 82 HB3 ASP 13 HB3 ASP 13 -4.037 23.093 3.693 83 H THR 14 H THR 14 -0.924 25.314 5.180 84 HA THR 14 HA THR 14 0.691 22.847 5.487 85 HB THR 14 HB THR 14 2.574 24.354 6.199 86 HG1 THR 14 HG1 THR 14 2.302 26.462 6.309 87 HG21 THR 14 HG21 THR 14 1.540 24.922 3.394 88 HG22 THR 14 HG22 THR 14 2.549 23.554 3.871 89 HG23 THR 14 HG23 THR 14 3.194 25.193 3.955 90 H GLY 15 H GLY 15 2.012 23.182 7.750 91 HA2 GLY 15 HA2 GLY 15 2.010 23.523 10.025 92 HA3 GLY 15 HA3 GLY 15 0.501 24.407 9.883 93 H LYS 16 H LYS 16 -1.329 23.416 10.571 94 HA LYS 16 HA LYS 16 -1.238 21.093 12.147 95 HB2 LYS 16 HB2 LYS 16 -2.868 22.915 12.475 96 HB3 LYS 16 HB3 LYS 16 -3.647 22.501 10.950 97 HG2 LYS 16 HG2 LYS 16 -4.277 20.283 11.871 98 HG3 LYS 16 HG3 LYS 16 -3.486 20.703 13.395 99 HD2 LYS 16 HD2 LYS 16 -5.888 21.030 13.607 100 HD3 LYS 16 HD3 LYS 16 -5.069 22.592 13.677 101 HE2 LYS 16 HE2 LYS 16 -5.626 22.964 11.277 102 HE3 LYS 16 HE3 LYS 16 -6.497 21.426 11.258 103 HZ1 LYS 16 HZ1 LYS 16 -8.010 22.287 12.911 104 HZ2 LYS 16 HZ2 LYS 16 -7.985 23.308 11.569 105 HZ3 LYS 16 HZ3 LYS 16 -7.172 23.755 12.983 106 H ARG 17 H ARG 17 -2.378 21.644 8.826 107 HA ARG 17 HA ARG 17 -3.563 19.139 8.323 108 HB2 ARG 17 HB2 ARG 17 -3.888 21.085 6.825 109 HB3 ARG 17 HB3 ARG 17 -2.204 21.001 6.317 110 HG2 ARG 17 HG2 ARG 17 -2.590 18.828 5.254 111 HG3 ARG 17 HG3 ARG 17 -4.245 18.789 5.861 112 HD2 ARG 17 HD2 ARG 17 -3.119 20.755 3.842 113 HD3 ARG 17 HD3 ARG 17 -4.221 19.416 3.503 114 HE ARG 17 HE ARG 17 -5.045 21.543 5.359 115 HH11 ARG 17 HH11 ARG 17 -5.518 19.955 2.254 116 HH12 ARG 17 HH12 ARG 17 -7.034 20.738 1.948 117 HH21 ARG 17 HH21 ARG 17 -6.986 22.581 4.946 118 HH22 ARG 17 HH22 ARG 17 -7.872 22.248 3.493 119 H GLU 18 H GLU 18 -0.222 20.287 7.988 120 HA GLU 18 HA GLU 18 0.829 17.994 6.680 121 HB2 GLU 18 HB2 GLU 18 2.280 20.089 8.358 122 HB3 GLU 18 HB3 GLU 18 3.062 18.897 7.320 123 HG2 GLU 18 HG2 GLU 18 1.895 19.905 5.353 124 HG3 GLU 18 HG3 GLU 18 1.237 21.141 6.424 125 H LYS 19 H LYS 19 0.332 18.819 10.073 126 HA LYS 19 HA LYS 19 1.935 16.761 11.206 127 HB2 LYS 19 HB2 LYS 19 -0.585 17.939 12.452 128 HB3 LYS 19 HB3 LYS 19 0.770 17.192 13.287 129 HG2 LYS 19 HG2 LYS 19 0.795 19.838 11.824 130 HG3 LYS 19 HG3 LYS 19 0.811 19.607 13.570 131 HD2 LYS 19 HD2 LYS 19 3.039 18.580 13.434 132 HD3 LYS 19 HD3 LYS 19 3.018 18.716 11.673 133 HE2 LYS 19 HE2 LYS 19 2.928 21.186 11.879 134 HE3 LYS 19 HE3 LYS 19 2.982 21.033 13.640 135 HZ1 LYS 19 HZ1 LYS 19 5.138 19.976 13.450 136 HZ2 LYS 19 HZ2 LYS 19 5.165 21.493 12.706 137 HZ3 LYS 19 HZ3 LYS 19 5.082 20.090 11.768 138 H GLN 20 H GLN 20 -1.517 16.976 10.425 139 HA GLN 20 HA GLN 20 -2.291 14.318 11.087 140 HB2 GLN 20 HB2 GLN 20 -3.514 16.304 9.120 141 HB3 GLN 20 HB3 GLN 20 -4.325 14.859 9.723 142 HG2 GLN 20 HG2 GLN 20 -4.430 15.763 11.964 143 HG3 GLN 20 HG3 GLN 20 -3.376 17.109 11.523 144 HE21 GLN 20 HE21 GLN 20 -4.213 18.805 10.277 145 HE22 GLN 20 HE22 GLN 20 -5.907 19.075 10.110 146 H LEU 21 H LEU 21 -0.850 15.773 8.271 147 HA LEU 21 HA LEU 21 -1.379 13.696 6.378 148 HB2 LEU 21 HB2 LEU 21 -0.909 16.216 6.012 149 HB3 LEU 21 HB3 LEU 21 0.790 15.828 6.167 150 HG LEU 21 HG LEU 21 -0.994 14.556 4.041 151 HD11 LEU 21 HD11 LEU 21 -1.102 16.986 3.776 152 HD12 LEU 21 HD12 LEU 21 -0.189 16.249 2.467 153 HD13 LEU 21 HD13 LEU 21 0.662 17.086 3.767 154 HD21 LEU 21 HD21 LEU 21 1.130 14.183 2.834 155 HD22 LEU 21 HD22 LEU 21 1.105 13.361 4.391 156 HD23 LEU 21 HD23 LEU 21 2.027 14.854 4.199 157 H GLN 22 H GLN 22 1.330 14.556 8.513 158 HA GLN 22 HA GLN 22 3.172 12.582 7.577 159 HB2 GLN 22 HB2 GLN 22 3.037 14.171 10.177 160 HB3 GLN 22 HB3 GLN 22 4.354 13.064 9.795 161 HG2 GLN 22 HG2 GLN 22 4.984 14.409 7.859 162 HG3 GLN 22 HG3 GLN 22 3.609 15.477 8.116 163 HE21 GLN 22 HE21 GLN 22 6.776 14.560 9.251 164 HE22 GLN 22 HE22 GLN 22 7.034 15.936 10.264 165 H GLN 23 H GLN 23 0.646 12.625 10.000 166 HA GLN 23 HA GLN 23 1.208 10.018 11.095 167 HB2 GLN 23 HB2 GLN 23 -1.271 11.786 11.250 168 HB3 GLN 23 HB3 GLN 23 -1.066 10.285 12.153 169 HG2 GLN 23 HG2 GLN 23 0.860 11.241 13.352 170 HG3 GLN 23 HG3 GLN 23 0.731 12.715 12.396 171 HE21 GLN 23 HE21 GLN 23 -0.992 14.138 12.782 172 HE22 GLN 23 HE22 GLN 23 -1.895 14.094 14.250 173 H TRP 24 H TRP 24 -0.874 11.316 8.555 174 HA TRP 24 HA TRP 24 -2.236 8.942 7.841 175 HB2 TRP 24 HB2 TRP 24 -2.968 11.187 7.096 176 HB3 TRP 24 HB3 TRP 24 -1.499 11.379 6.157 177 HD1 TRP 24 HD1 TRP 24 -3.354 8.028 5.851 178 HE1 TRP 24 HE1 TRP 24 -4.446 7.892 3.518 179 HE3 TRP 24 HE3 TRP 24 -2.550 12.842 4.266 180 HZ2 TRP 24 HZ2 TRP 24 -4.920 9.587 1.320 181 HZ3 TRP 24 HZ3 TRP 24 -3.358 13.500 2.032 182 HH2 TRP 24 HH2 TRP 24 -4.518 11.904 0.588 183 H LYS 25 H LYS 25 0.879 10.349 6.880 184 HA LYS 25 HA LYS 25 1.692 8.531 4.944 185 HB2 LYS 25 HB2 LYS 25 3.343 10.014 7.027 186 HB3 LYS 25 HB3 LYS 25 4.074 9.023 5.775 187 HG2 LYS 25 HG2 LYS 25 3.149 10.507 4.041 188 HG3 LYS 25 HG3 LYS 25 2.384 11.499 5.287 189 HD2 LYS 25 HD2 LYS 25 4.655 11.961 6.251 190 HD3 LYS 25 HD3 LYS 25 5.379 11.061 4.915 191 HE2 LYS 25 HE2 LYS 25 3.676 13.558 4.608 192 HE3 LYS 25 HE3 LYS 25 5.434 13.519 4.601 193 HZ1 LYS 25 HZ1 LYS 25 4.454 13.587 2.369 194 HZ2 LYS 25 HZ2 LYS 25 3.733 12.084 2.647 195 HZ3 LYS 25 HZ3 LYS 25 5.413 12.219 2.616 196 H ASN 26 H ASN 26 2.154 8.453 8.469 197 HA ASN 26 HA ASN 26 3.607 6.103 8.721 198 HB2 ASN 26 HB2 ASN 26 1.590 7.293 10.682 199 HB3 ASN 26 HB3 ASN 26 2.785 6.063 11.093 200 HD21 ASN 26 HD21 ASN 26 2.465 8.714 12.229 201 HD22 ASN 26 HD22 ASN 26 3.957 9.545 11.971 202 H ASN 27 H ASN 27 0.087 6.611 8.659 203 HA ASN 27 HA ASN 27 -0.733 4.021 9.366 204 HB2 ASN 27 HB2 ASN 27 -2.177 6.049 7.611 205 HB3 ASN 27 HB3 ASN 27 -2.923 4.634 8.346 206 HD21 ASN 27 HD21 ASN 27 -1.451 4.958 10.911 207 HD22 ASN 27 HD22 ASN 27 -2.175 6.317 11.689 208 H LEU 28 H LEU 28 -0.331 5.519 6.160 209 HA LEU 28 HA LEU 28 -1.059 3.263 4.618 210 HB2 LEU 28 HB2 LEU 28 0.703 5.612 3.800 211 HB3 LEU 28 HB3 LEU 28 -0.088 4.492 2.704 212 HG LEU 28 HG LEU 28 -1.434 6.572 4.467 213 HD11 LEU 28 HD11 LEU 28 -2.137 7.605 2.347 214 HD12 LEU 28 HD12 LEU 28 -1.270 6.363 1.438 215 HD13 LEU 28 HD13 LEU 28 -0.379 7.498 2.453 216 HD21 LEU 28 HD21 LEU 28 -3.572 5.834 3.486 217 HD22 LEU 28 HD22 LEU 28 -2.818 4.577 4.464 218 HD23 LEU 28 HD23 LEU 28 -2.746 4.486 2.701 219 H LYS 29 H LYS 29 2.030 4.436 5.843 220 HA LYS 29 HA LYS 29 3.767 2.740 4.371 221 HB2 LYS 29 HB2 LYS 29 4.113 4.368 6.916 222 HB3 LYS 29 HB3 LYS 29 5.433 3.422 6.240 223 HG2 LYS 29 HG2 LYS 29 5.375 4.745 4.169 224 HG3 LYS 29 HG3 LYS 29 3.961 5.626 4.755 225 HD2 LYS 29 HD2 LYS 29 5.964 7.004 5.035 226 HD3 LYS 29 HD3 LYS 29 5.309 6.564 6.614 227 HE2 LYS 29 HE2 LYS 29 7.765 6.412 6.583 228 HE3 LYS 29 HE3 LYS 29 7.043 4.824 6.852 229 HZ1 LYS 29 HZ1 LYS 29 8.885 4.789 5.244 230 HZ2 LYS 29 HZ2 LYS 29 8.012 5.824 4.229 231 HZ3 LYS 29 HZ3 LYS 29 7.440 4.274 4.551 232 H ASN 30 H ASN 30 2.182 2.408 7.533 233 HA ASN 30 HA ASN 30 3.399 -0.060 8.266 234 HB2 ASN 30 HB2 ASN 30 0.782 1.255 9.118 235 HB3 ASN 30 HB3 ASN 30 1.169 -0.372 9.639 236 HD21 ASN 30 HD21 ASN 30 1.741 2.947 10.176 237 HD22 ASN 30 HD22 ASN 30 2.839 2.773 11.485 238 H ASP 31 H ASP 31 0.354 0.741 6.591 239 HA ASP 31 HA ASP 31 -0.625 -1.859 6.369 240 HB2 ASP 31 HB2 ASP 31 -1.159 0.592 4.656 241 HB3 ASP 31 HB3 ASP 31 -2.051 -0.913 4.468 242 H VAL 32 H VAL 32 1.267 0.047 3.973 243 HA VAL 32 HA VAL 32 1.398 -1.803 1.888 244 HB VAL 32 HB VAL 32 3.526 0.194 2.798 245 HG11 VAL 32 HG11 VAL 32 3.355 -1.245 0.116 246 HG12 VAL 32 HG12 VAL 32 4.582 -1.503 1.358 247 HG13 VAL 32 HG13 VAL 32 4.486 0.046 0.527 248 HG21 VAL 32 HG21 VAL 32 1.373 1.219 2.194 249 HG22 VAL 32 HG22 VAL 32 1.428 0.433 0.617 250 HG23 VAL 32 HG23 VAL 32 2.635 1.651 1.041 251 H ASP 33 H ASP 33 3.331 -1.545 4.829 252 HA ASP 33 HA ASP 33 5.266 -3.541 4.094 253 HB2 ASP 33 HB2 ASP 33 5.691 -1.551 5.623 254 HB3 ASP 33 HB3 ASP 33 4.734 -2.357 6.856 255 H ASN 34 H ASN 34 2.248 -3.500 5.893 256 HA ASN 34 HA ASN 34 2.571 -6.106 7.115 257 HB2 ASN 34 HB2 ASN 34 0.122 -4.287 6.910 258 HB3 ASN 34 HB3 ASN 34 0.163 -5.794 7.824 259 HD21 ASN 34 HD21 ASN 34 -0.367 -3.073 8.770 260 HD22 ASN 34 HD22 ASN 34 0.815 -2.754 9.987 261 H THR 35 H THR 35 1.092 -4.774 4.231 262 HA THR 35 HA THR 35 -0.603 -7.012 3.642 263 HB THR 35 HB THR 35 -0.828 -5.888 1.368 264 HG1 THR 35 HG1 THR 35 0.553 -3.725 2.540 265 HG21 THR 35 HG21 THR 35 -1.411 -4.140 3.784 266 HG22 THR 35 HG22 THR 35 -2.469 -5.397 3.137 267 HG23 THR 35 HG23 THR 35 -2.130 -3.950 2.183 268 H ILE 36 H ILE 36 -0.366 -8.252 1.579 269 HA ILE 36 HA ILE 36 2.214 -9.556 1.635 270 HB ILE 36 HB ILE 36 1.180 -11.317 0.272 271 HG12 ILE 36 HG12 ILE 36 -1.353 -9.600 0.169 272 HG13 ILE 36 HG13 ILE 36 -0.225 -9.767 -1.172 273 HG21 ILE 36 HG21 ILE 36 -0.668 -10.383 2.496 274 HG22 ILE 36 HG22 ILE 36 0.785 -11.364 2.699 275 HG23 ILE 36 HG23 ILE 36 -0.605 -12.017 1.833 276 HD11 ILE 36 HD11 ILE 36 -1.796 -12.022 0.069 277 HD12 ILE 36 HD12 ILE 36 -0.695 -12.142 -1.306 278 HD13 ILE 36 HD13 ILE 36 -2.172 -11.192 -1.443 279 H LEU 37 H LEU 37 1.962 -6.864 0.280 280 HA LEU 37 HA LEU 37 2.299 -7.070 -2.505 281 HB2 LEU 37 HB2 LEU 37 3.648 -5.031 -0.692 282 HB3 LEU 37 HB3 LEU 37 3.289 -4.854 -2.400 283 HG LEU 37 HG LEU 37 1.330 -4.815 -0.087 284 HD11 LEU 37 HD11 LEU 37 2.062 -2.707 -2.130 285 HD12 LEU 37 HD12 LEU 37 2.530 -2.735 -0.428 286 HD13 LEU 37 HD13 LEU 37 0.836 -2.541 -0.867 287 HD21 LEU 37 HD21 LEU 37 -0.475 -4.458 -1.717 288 HD22 LEU 37 HD22 LEU 37 0.243 -6.058 -1.852 289 HD23 LEU 37 HD23 LEU 37 0.647 -4.811 -3.038 290 H SER 38 H SER 38 4.178 -7.235 -3.767 291 HA SER 38 HA SER 38 6.322 -8.850 -2.799 292 HB2 SER 38 HB2 SER 38 5.707 -8.944 -5.158 293 HB3 SER 38 HB3 SER 38 6.046 -7.228 -5.362 294 HG SER 38 HG SER 38 7.780 -8.425 -6.135 295 H HIS 39 H HIS 39 8.605 -8.227 -2.783 296 HA HIS 39 HA HIS 39 9.264 -6.116 -1.123 297 HB2 HIS 39 HB2 HIS 39 10.756 -8.028 -1.488 298 HB3 HIS 39 HB3 HIS 39 11.025 -7.552 -3.158 299 HD1 HIS 39 HD1 HIS 39 11.562 -6.021 0.303 300 HD2 HIS 39 HD2 HIS 39 13.365 -6.219 -3.434 301 HE1 HIS 39 HE1 HIS 39 13.747 -4.818 0.548 302 HE2 HIS 39 HE2 HIS 39 14.744 -4.818 -1.758 303 H GLU 40 H GLU 40 9.202 -6.279 -4.624 304 HA GLU 40 HA GLU 40 10.421 -3.806 -5.281 305 HB2 GLU 40 HB2 GLU 40 8.414 -5.466 -6.855 306 HB3 GLU 40 HB3 GLU 40 9.500 -4.253 -7.526 307 HG2 GLU 40 HG2 GLU 40 11.442 -5.620 -7.083 308 HG3 GLU 40 HG3 GLU 40 10.499 -6.757 -6.120 309 H GLN 41 H GLN 41 7.013 -4.790 -4.936 310 HA GLN 41 HA GLN 41 5.758 -2.361 -5.599 311 HB2 GLN 41 HB2 GLN 41 4.844 -4.546 -3.676 312 HB3 GLN 41 HB3 GLN 41 3.813 -3.279 -4.323 313 HG2 GLN 41 HG2 GLN 41 5.231 -5.168 -6.196 314 HG3 GLN 41 HG3 GLN 41 3.768 -5.673 -5.370 315 HE21 GLN 41 HE21 GLN 41 4.128 -2.332 -6.442 316 HE22 GLN 41 HE22 GLN 41 2.999 -2.437 -7.732 317 H LYS 42 H LYS 42 6.927 -3.661 -2.510 318 HA LYS 42 HA LYS 42 6.010 -1.572 -0.841 319 HB2 LYS 42 HB2 LYS 42 8.165 -3.692 -0.484 320 HB3 LYS 42 HB3 LYS 42 7.716 -2.566 0.793 321 HG2 LYS 42 HG2 LYS 42 5.392 -3.433 0.732 322 HG3 LYS 42 HG3 LYS 42 5.871 -4.597 -0.511 323 HD2 LYS 42 HD2 LYS 42 7.386 -5.709 1.031 324 HD3 LYS 42 HD3 LYS 42 7.133 -4.462 2.255 325 HE2 LYS 42 HE2 LYS 42 4.746 -5.146 2.406 326 HE3 LYS 42 HE3 LYS 42 5.066 -6.442 1.251 327 HZ1 LYS 42 HZ1 LYS 42 6.412 -7.559 2.776 328 HZ2 LYS 42 HZ2 LYS 42 5.129 -6.990 3.726 329 HZ3 LYS 42 HZ3 LYS 42 6.617 -6.203 3.760 330 H ASN 43 H ASN 43 9.086 -2.112 -2.528 331 HA ASN 43 HA ASN 43 10.643 -0.120 -1.335 332 HB2 ASN 43 HB2 ASN 43 10.782 -1.191 -4.181 333 HB3 ASN 43 HB3 ASN 43 12.016 -0.170 -3.454 334 HD21 ASN 43 HD21 ASN 43 11.789 -1.532 -0.811 335 HD22 ASN 43 HD22 ASN 43 12.570 -3.047 -1.028 336 H GLU 44 H GLU 44 8.385 0.029 -4.043 337 HA GLU 44 HA GLU 44 8.879 2.786 -4.642 338 HB2 GLU 44 HB2 GLU 44 6.588 0.940 -5.432 339 HB3 GLU 44 HB3 GLU 44 6.847 2.555 -6.083 340 HG2 GLU 44 HG2 GLU 44 9.078 1.808 -6.927 341 HG3 GLU 44 HG3 GLU 44 8.692 0.173 -6.395 342 H PHE 45 H PHE 45 6.108 1.069 -3.082 343 HA PHE 45 HA PHE 45 4.564 3.396 -2.797 344 HB2 PHE 45 HB2 PHE 45 4.344 0.687 -1.438 345 HB3 PHE 45 HB3 PHE 45 3.212 1.985 -1.095 346 HD1 PHE 45 HD1 PHE 45 2.509 3.216 -3.559 347 HD2 PHE 45 HD2 PHE 45 3.335 -0.922 -2.829 348 HE1 PHE 45 HE1 PHE 45 1.108 2.587 -5.480 349 HE2 PHE 45 HE2 PHE 45 1.933 -1.541 -4.761 350 HZ PHE 45 HZ PHE 45 0.819 0.216 -6.085 351 H LYS 46 H LYS 46 6.431 1.654 -0.293 352 HA LYS 46 HA LYS 46 5.876 3.199 1.937 353 HB2 LYS 46 HB2 LYS 46 8.426 1.729 1.166 354 HB3 LYS 46 HB3 LYS 46 8.160 2.408 2.767 355 HG2 LYS 46 HG2 LYS 46 6.430 0.851 3.275 356 HG3 LYS 46 HG3 LYS 46 6.224 0.402 1.583 357 HD2 LYS 46 HD2 LYS 46 7.329 -1.402 2.805 358 HD3 LYS 46 HD3 LYS 46 8.417 -0.722 1.598 359 HE2 LYS 46 HE2 LYS 46 9.714 -1.106 3.559 360 HE3 LYS 46 HE3 LYS 46 9.466 0.635 3.479 361 HZ1 LYS 46 HZ1 LYS 46 8.072 -1.304 5.223 362 HZ2 LYS 46 HZ2 LYS 46 7.575 0.289 5.059 363 HZ3 LYS 46 HZ3 LYS 46 9.101 -0.057 5.704 364 H THR 47 H THR 47 8.366 3.747 -0.539 365 HA THR 47 HA THR 47 9.527 6.100 0.619 366 HB THR 47 HB THR 47 9.709 5.001 -2.233 367 HG1 THR 47 HG1 THR 47 10.912 3.538 -1.302 368 HG21 THR 47 HG21 THR 47 11.523 6.981 -0.793 369 HG22 THR 47 HG22 THR 47 10.450 7.362 -2.140 370 HG23 THR 47 HG23 THR 47 11.820 6.281 -2.389 371 H LYS 48 H LYS 48 7.119 5.499 -1.920 372 HA LYS 48 HA LYS 48 6.889 8.070 -3.010 373 HB2 LYS 48 HB2 LYS 48 4.962 5.723 -2.918 374 HB3 LYS 48 HB3 LYS 48 4.535 7.224 -3.727 375 HG2 LYS 48 HG2 LYS 48 6.340 6.958 -5.320 376 HG3 LYS 48 HG3 LYS 48 6.958 5.546 -4.457 377 HD2 LYS 48 HD2 LYS 48 4.944 4.271 -5.013 378 HD3 LYS 48 HD3 LYS 48 4.209 5.691 -5.768 379 HE2 LYS 48 HE2 LYS 48 6.668 4.197 -6.728 380 HE3 LYS 48 HE3 LYS 48 5.072 4.193 -7.476 381 HZ1 LYS 48 HZ1 LYS 48 5.353 6.622 -7.826 382 HZ2 LYS 48 HZ2 LYS 48 6.466 5.681 -8.679 383 HZ3 LYS 48 HZ3 LYS 48 6.945 6.486 -7.273 384 H ILE 49 H ILE 49 5.311 6.560 -0.269 385 HA ILE 49 HA ILE 49 3.359 8.540 0.248 386 HB ILE 49 HB ILE 49 4.667 6.524 2.146 387 HG12 ILE 49 HG12 ILE 49 1.927 6.231 0.810 388 HG13 ILE 49 HG13 ILE 49 3.390 5.642 0.033 389 HG21 ILE 49 HG21 ILE 49 2.697 6.824 3.580 390 HG22 ILE 49 HG22 ILE 49 2.066 8.053 2.483 391 HG23 ILE 49 HG23 ILE 49 3.560 8.355 3.376 392 HD11 ILE 49 HD11 ILE 49 2.391 4.739 2.736 393 HD12 ILE 49 HD12 ILE 49 3.795 4.113 1.869 394 HD13 ILE 49 HD13 ILE 49 2.176 3.872 1.215 395 H ASP 50 H ASP 50 6.776 8.241 1.192 396 HA ASP 50 HA ASP 50 6.747 10.358 3.157 397 HB2 ASP 50 HB2 ASP 50 9.075 9.064 1.669 398 HB3 ASP 50 HB3 ASP 50 9.268 10.219 2.984 399 H GLU 51 H GLU 51 7.703 10.101 -0.255 400 HA GLU 51 HA GLU 51 8.822 12.758 -0.378 401 HB2 GLU 51 HB2 GLU 51 9.163 12.317 -2.768 402 HB3 GLU 51 HB3 GLU 51 9.712 10.947 -1.806 403 HG2 GLU 51 HG2 GLU 51 7.803 9.631 -2.409 404 HG3 GLU 51 HG3 GLU 51 6.975 11.022 -3.100 405 H THR 52 H THR 52 5.677 11.381 -0.938 406 HA THR 52 HA THR 52 4.724 13.740 -2.415 407 HB THR 52 HB THR 52 3.252 11.145 -1.774 408 HG1 THR 52 HG1 THR 52 5.127 11.054 -3.250 409 HG21 THR 52 HG21 THR 52 1.718 13.043 -2.223 410 HG22 THR 52 HG22 THR 52 1.689 11.861 -3.529 411 HG23 THR 52 HG23 THR 52 2.575 13.373 -3.735 412 H ASN 53 H ASN 53 3.951 15.352 -1.290 413 HA ASN 53 HA ASN 53 2.475 14.956 1.254 414 HB2 ASN 53 HB2 ASN 53 3.642 17.534 0.107 415 HB3 ASN 53 HB3 ASN 53 2.907 17.327 1.698 416 HD21 ASN 53 HD21 ASN 53 5.582 18.234 0.928 417 HD22 ASN 53 HD22 ASN 53 6.695 17.191 1.740 418 H ASP 54 H ASP 54 1.996 15.240 -2.013 419 HA ASP 54 HA ASP 54 -0.187 17.135 -2.092 420 HB2 ASP 54 HB2 ASP 54 1.253 16.664 -4.087 421 HB3 ASP 54 HB3 ASP 54 0.581 15.041 -4.178 422 H SER 55 H SER 55 -2.341 16.745 -1.832 423 HA SER 55 HA SER 55 -3.169 14.432 -0.441 424 HB2 SER 55 HB2 SER 55 -4.249 16.597 -0.108 425 HB3 SER 55 HB3 SER 55 -4.838 16.600 -1.769 426 HG SER 55 HG SER 55 -6.455 15.415 -1.154 427 H ASP 56 H ASP 56 -3.892 15.486 -3.796 428 HA ASP 56 HA ASP 56 -5.623 13.371 -4.497 429 HB2 ASP 56 HB2 ASP 56 -3.849 15.149 -6.222 430 HB3 ASP 56 HB3 ASP 56 -5.027 14.030 -6.897 431 H ALA 57 H ALA 57 -2.117 13.728 -4.872 432 HA ALA 57 HA ALA 57 -1.681 11.344 -6.356 433 HB1 ALA 57 HB1 ALA 57 0.250 12.995 -4.708 434 HB2 ALA 57 HB2 ALA 57 -0.121 13.203 -6.419 435 HB3 ALA 57 HB3 ALA 57 0.701 11.742 -5.872 436 H LEU 58 H LEU 58 -1.463 12.106 -2.856 437 HA LEU 58 HA LEU 58 -0.593 9.557 -1.965 438 HB2 LEU 58 HB2 LEU 58 -1.981 11.866 -0.594 439 HB3 LEU 58 HB3 LEU 58 -1.701 10.373 0.281 440 HG LEU 58 HG LEU 58 0.499 12.090 -0.945 441 HD11 LEU 58 HD11 LEU 58 -0.391 11.849 1.954 442 HD12 LEU 58 HD12 LEU 58 -0.601 13.253 0.904 443 HD13 LEU 58 HD13 LEU 58 1.019 12.748 1.373 444 HD21 LEU 58 HD21 LEU 58 0.679 9.673 0.893 445 HD22 LEU 58 HD22 LEU 58 2.038 10.655 0.331 446 HD23 LEU 58 HD23 LEU 58 1.101 9.710 -0.821 447 H LEU 59 H LEU 59 -3.851 10.874 -2.444 448 HA LEU 59 HA LEU 59 -5.390 8.746 -1.435 449 HB2 LEU 59 HB2 LEU 59 -5.976 10.701 -3.699 450 HB3 LEU 59 HB3 LEU 59 -7.172 9.589 -3.057 451 HG LEU 59 HG LEU 59 -5.845 11.837 -1.492 452 HD11 LEU 59 HD11 LEU 59 -7.387 12.699 -3.192 453 HD12 LEU 59 HD12 LEU 59 -8.029 12.959 -1.573 454 HD13 LEU 59 HD13 LEU 59 -8.677 11.658 -2.578 455 HD21 LEU 59 HD21 LEU 59 -6.393 9.960 -0.036 456 HD22 LEU 59 HD22 LEU 59 -8.050 9.939 -0.643 457 HD23 LEU 59 HD23 LEU 59 -7.462 11.324 0.282 458 H GLU 60 H GLU 60 -3.818 9.271 -4.549 459 HA GLU 60 HA GLU 60 -4.912 6.967 -5.856 460 HB2 GLU 60 HB2 GLU 60 -4.073 9.002 -7.072 461 HB3 GLU 60 HB3 GLU 60 -2.426 8.565 -6.615 462 HG2 GLU 60 HG2 GLU 60 -2.696 6.406 -7.841 463 HG3 GLU 60 HG3 GLU 60 -4.301 6.919 -8.362 464 H LEU 61 H LEU 61 -1.841 7.696 -4.193 465 HA LEU 61 HA LEU 61 -0.480 5.284 -4.697 466 HB2 LEU 61 HB2 LEU 61 -0.254 7.220 -2.352 467 HB3 LEU 61 HB3 LEU 61 0.867 5.895 -2.625 468 HG LEU 61 HG LEU 61 0.435 8.221 -4.537 469 HD11 LEU 61 HD11 LEU 61 2.652 9.023 -3.826 470 HD12 LEU 61 HD12 LEU 61 2.733 7.743 -2.612 471 HD13 LEU 61 HD13 LEU 61 1.502 9.001 -2.490 472 HD21 LEU 61 HD21 LEU 61 2.426 7.372 -5.708 473 HD22 LEU 61 HD22 LEU 61 1.100 6.215 -5.728 474 HD23 LEU 61 HD23 LEU 61 2.464 5.972 -4.632 475 H GLU 62 H GLU 62 -2.623 6.264 -2.071 476 HA GLU 62 HA GLU 62 -2.616 3.949 -0.509 477 HB2 GLU 62 HB2 GLU 62 -3.524 6.101 0.259 478 HB3 GLU 62 HB3 GLU 62 -4.802 6.018 -0.949 479 HG2 GLU 62 HG2 GLU 62 -5.693 3.996 0.180 480 HG3 GLU 62 HG3 GLU 62 -4.452 4.156 1.423 481 H ASN 63 H ASN 63 -4.769 5.019 -3.101 482 HA ASN 63 HA ASN 63 -6.585 2.903 -3.175 483 HB2 ASN 63 HB2 ASN 63 -6.766 5.189 -4.310 484 HB3 ASN 63 HB3 ASN 63 -5.711 4.579 -5.573 485 HD21 ASN 63 HD21 ASN 63 -8.427 5.585 -5.752 486 HD22 ASN 63 HD22 ASN 63 -9.362 4.327 -6.471 487 H GLN 64 H GLN 64 -3.456 3.319 -4.737 488 HA GLN 64 HA GLN 64 -3.646 1.172 -6.577 489 HB2 GLN 64 HB2 GLN 64 -1.274 2.758 -5.533 490 HB3 GLN 64 HB3 GLN 64 -1.095 1.466 -6.717 491 HG2 GLN 64 HG2 GLN 64 -2.517 2.682 -8.310 492 HG3 GLN 64 HG3 GLN 64 -2.787 3.952 -7.119 493 HE21 GLN 64 HE21 GLN 64 -1.093 5.391 -6.634 494 HE22 GLN 64 HE22 GLN 64 0.278 5.578 -7.667 495 H PHE 65 H PHE 65 -2.020 1.404 -3.340 496 HA PHE 65 HA PHE 65 -1.009 -1.285 -3.583 497 HB2 PHE 65 HB2 PHE 65 0.106 -1.032 -1.536 498 HB3 PHE 65 HB3 PHE 65 0.158 0.561 -2.254 499 HD1 PHE 65 HD1 PHE 65 -0.766 2.453 -1.070 500 HD2 PHE 65 HD2 PHE 65 -1.416 -1.503 0.416 501 HE1 PHE 65 HE1 PHE 65 -1.536 3.376 1.081 502 HE2 PHE 65 HE2 PHE 65 -2.200 -0.569 2.546 503 HZ PHE 65 HZ PHE 65 -2.252 1.867 2.888 504 H ASN 66 H ASN 66 -3.835 0.159 -2.085 505 HA ASN 66 HA ASN 66 -4.772 -2.131 -0.685 506 HB2 ASN 66 HB2 ASN 66 -6.356 0.154 -1.933 507 HB3 ASN 66 HB3 ASN 66 -7.027 -1.031 -0.814 508 HD21 ASN 66 HD21 ASN 66 -4.696 -1.053 0.974 509 HD22 ASN 66 HD22 ASN 66 -4.710 0.464 1.796 510 H GLU 67 H GLU 67 -5.248 -0.943 -3.997 511 HA GLU 67 HA GLU 67 -7.077 -2.902 -4.906 512 HB2 GLU 67 HB2 GLU 67 -6.691 -0.745 -6.068 513 HB3 GLU 67 HB3 GLU 67 -5.050 -1.235 -6.469 514 HG2 GLU 67 HG2 GLU 67 -6.466 -1.447 -8.423 515 HG3 GLU 67 HG3 GLU 67 -5.957 -3.050 -7.901 516 H THR 68 H THR 68 -3.534 -2.623 -5.185 517 HA THR 68 HA THR 68 -2.979 -4.930 -6.658 518 HB THR 68 HB THR 68 -1.195 -3.514 -4.612 519 HG1 THR 68 HG1 THR 68 -2.072 -2.436 -6.706 520 HG21 THR 68 HG21 THR 68 -0.409 -5.406 -6.867 521 HG22 THR 68 HG22 THR 68 -0.289 -5.748 -5.137 522 HG23 THR 68 HG23 THR 68 0.709 -4.488 -5.861 523 H ASN 69 H ASN 69 -3.113 -4.405 -3.125 524 HA ASN 69 HA ASN 69 -2.287 -6.979 -2.329 525 HB2 ASN 69 HB2 ASN 69 -2.253 -5.115 -0.765 526 HB3 ASN 69 HB3 ASN 69 -4.001 -4.929 -0.873 527 HD21 ASN 69 HD21 ASN 69 -1.482 -7.253 0.052 528 HD22 ASN 69 HD22 ASN 69 -2.391 -8.017 1.310 529 H ARG 70 H ARG 70 -5.518 -5.621 -2.974 530 HA ARG 70 HA ARG 70 -7.071 -7.781 -2.062 531 HB2 ARG 70 HB2 ARG 70 -7.803 -5.360 -2.789 532 HB3 ARG 70 HB3 ARG 70 -7.897 -6.029 -4.410 533 HG2 ARG 70 HG2 ARG 70 -10.099 -6.211 -3.676 534 HG3 ARG 70 HG3 ARG 70 -9.476 -7.822 -3.326 535 HD2 ARG 70 HD2 ARG 70 -9.784 -5.550 -1.329 536 HD3 ARG 70 HD3 ARG 70 -10.848 -6.950 -1.481 537 HE ARG 70 HE ARG 70 -9.058 -8.350 -0.679 538 HH11 ARG 70 HH11 ARG 70 -8.480 -4.868 -0.222 539 HH12 ARG 70 HH12 ARG 70 -7.312 -5.131 1.036 540 HH21 ARG 70 HH21 ARG 70 -7.530 -8.594 1.011 541 HH22 ARG 70 HH22 ARG 70 -6.792 -7.188 1.710 542 H LEU 71 H LEU 71 -5.755 -6.997 -5.252 543 HA LEU 71 HA LEU 71 -6.788 -9.139 -6.755 544 HB2 LEU 71 HB2 LEU 71 -4.251 -7.502 -7.150 545 HB3 LEU 71 HB3 LEU 71 -4.932 -8.568 -8.368 546 HG LEU 71 HG LEU 71 -6.316 -6.093 -7.256 547 HD11 LEU 71 HD11 LEU 71 -4.344 -5.499 -8.605 548 HD12 LEU 71 HD12 LEU 71 -5.840 -5.021 -9.399 549 HD13 LEU 71 HD13 LEU 71 -4.967 -6.451 -9.956 550 HD21 LEU 71 HD21 LEU 71 -7.944 -6.435 -9.065 551 HD22 LEU 71 HD22 LEU 71 -7.921 -7.789 -7.938 552 HD23 LEU 71 HD23 LEU 71 -7.138 -7.942 -9.514 553 H LEU 72 H LEU 72 -3.757 -8.766 -4.963 554 HA LEU 72 HA LEU 72 -2.468 -11.151 -5.682 555 HB2 LEU 72 HB2 LEU 72 -2.269 -9.452 -3.174 556 HB3 LEU 72 HB3 LEU 72 -1.232 -10.837 -3.457 557 HG LEU 72 HG LEU 72 -1.309 -8.366 -5.231 558 HD11 LEU 72 HD11 LEU 72 -0.475 -7.837 -2.987 559 HD12 LEU 72 HD12 LEU 72 0.832 -7.765 -4.166 560 HD13 LEU 72 HD13 LEU 72 0.695 -9.156 -3.081 561 HD21 LEU 72 HD21 LEU 72 0.595 -10.738 -5.216 562 HD22 LEU 72 HD22 LEU 72 0.748 -9.293 -6.223 563 HD23 LEU 72 HD23 LEU 72 -0.619 -10.379 -6.449 564 H HIS 73 H HIS 73 -4.739 -10.450 -3.019 565 HA HIS 73 HA HIS 73 -4.539 -12.994 -1.758 566 HB2 HIS 73 HB2 HIS 73 -6.695 -10.861 -1.606 567 HB3 HIS 73 HB3 HIS 73 -6.770 -12.353 -0.677 568 HD1 HIS 73 HD1 HIS 73 -4.399 -12.743 0.790 569 HD2 HIS 73 HD2 HIS 73 -5.537 -8.879 -0.171 570 HE1 HIS 73 HE1 HIS 73 -3.127 -11.244 2.348 571 HE2 HIS 73 HE2 HIS 73 -4.113 -8.981 1.977 572 H ILE 74 H ILE 74 -6.786 -11.708 -4.190 573 HA ILE 74 HA ILE 74 -8.514 -13.949 -4.395 574 HB ILE 74 HB ILE 74 -7.792 -11.863 -6.514 575 HG12 ILE 74 HG12 ILE 74 -10.140 -11.915 -4.556 576 HG13 ILE 74 HG13 ILE 74 -8.725 -10.885 -4.419 577 HG21 ILE 74 HG21 ILE 74 -10.184 -13.746 -6.449 578 HG22 ILE 74 HG22 ILE 74 -8.827 -13.831 -7.571 579 HG23 ILE 74 HG23 ILE 74 -9.930 -12.457 -7.628 580 HD11 ILE 74 HD11 ILE 74 -10.801 -10.764 -6.604 581 HD12 ILE 74 HD12 ILE 74 -9.358 -9.751 -6.500 582 HD13 ILE 74 HD13 ILE 74 -10.603 -9.639 -5.258 583 H LYS 75 H LYS 75 -5.606 -12.992 -6.158 584 HA LYS 75 HA LYS 75 -5.478 -15.083 -8.045 585 HB2 LYS 75 HB2 LYS 75 -4.332 -13.028 -8.491 586 HB3 LYS 75 HB3 LYS 75 -3.447 -13.078 -6.982 587 HG2 LYS 75 HG2 LYS 75 -2.912 -15.276 -8.950 588 HG3 LYS 75 HG3 LYS 75 -2.323 -13.666 -9.366 589 HD2 LYS 75 HD2 LYS 75 -1.043 -13.566 -7.266 590 HD3 LYS 75 HD3 LYS 75 -1.682 -15.139 -6.777 591 HE2 LYS 75 HE2 LYS 75 0.069 -14.622 -9.197 592 HE3 LYS 75 HE3 LYS 75 0.608 -15.313 -7.665 593 HZ1 LYS 75 HZ1 LYS 75 -1.383 -16.510 -9.520 594 HZ2 LYS 75 HZ2 LYS 75 -0.919 -17.167 -8.037 595 HZ3 LYS 75 HZ3 LYS 75 0.207 -17.038 -9.287 596 H GLN 76 H GLN 76 -3.983 -14.690 -4.840 597 HA GLN 76 HA GLN 76 -2.397 -17.075 -4.992 598 HB2 GLN 76 HB2 GLN 76 -1.585 -16.545 -2.865 599 HB3 GLN 76 HB3 GLN 76 -1.981 -14.960 -3.509 600 HG2 GLN 76 HG2 GLN 76 -4.121 -15.025 -2.225 601 HG3 GLN 76 HG3 GLN 76 -3.628 -16.560 -1.525 602 HE21 GLN 76 HE21 GLN 76 -0.774 -15.558 -1.298 603 HE22 GLN 76 HE22 GLN 76 -0.807 -14.528 0.082 604 H HIS 77 H HIS 77 -5.619 -16.266 -3.866 605 HA HIS 77 HA HIS 77 -6.139 -18.400 -2.131 606 HB2 HIS 77 HB2 HIS 77 -7.589 -16.377 -2.384 607 HB3 HIS 77 HB3 HIS 77 -8.123 -16.964 -3.953 608 HD1 HIS 77 HD1 HIS 77 -8.548 -17.542 -0.272 609 HD2 HIS 77 HD2 HIS 77 -10.099 -18.985 -3.852 610 HE1 HIS 77 HE1 HIS 77 -10.539 -18.940 0.363 611 HE2 HIS 77 HE2 HIS 77 -11.398 -19.869 -1.800 612 H GLU 78 H GLU 78 -6.462 -18.099 -5.613 613 HA GLU 78 HA GLU 78 -7.724 -20.578 -6.153 614 HB2 GLU 78 HB2 GLU 78 -5.963 -18.884 -7.970 615 HB3 GLU 78 HB3 GLU 78 -7.079 -20.138 -8.499 616 HG2 GLU 78 HG2 GLU 78 -7.823 -17.525 -7.149 617 HG3 GLU 78 HG3 GLU 78 -8.034 -17.911 -8.851 618 H GLU 79 H GLU 79 -4.347 -19.607 -5.868 619 HA GLU 79 HA GLU 79 -3.221 -22.064 -6.828 620 HB2 GLU 79 HB2 GLU 79 -1.884 -19.901 -5.146 621 HB3 GLU 79 HB3 GLU 79 -1.067 -21.154 -6.072 622 HG2 GLU 79 HG2 GLU 79 -2.701 -18.864 -7.201 623 HG3 GLU 79 HG3 GLU 79 -0.947 -19.006 -7.221 624 H VAL 80 H VAL 80 -3.877 -20.688 -3.610 625 HA VAL 80 HA VAL 80 -2.629 -22.672 -2.047 626 HB VAL 80 HB VAL 80 -4.963 -20.826 -1.334 627 HG11 VAL 80 HG11 VAL 80 -4.458 -21.295 1.047 628 HG12 VAL 80 HG12 VAL 80 -3.273 -22.510 0.559 629 HG13 VAL 80 HG13 VAL 80 -4.982 -22.746 0.189 630 HG21 VAL 80 HG21 VAL 80 -2.895 -19.594 -1.874 631 HG22 VAL 80 HG22 VAL 80 -2.002 -20.533 -0.677 632 HG23 VAL 80 HG23 VAL 80 -3.293 -19.444 -0.163 633 H GLU 81 H GLU 81 -6.052 -22.215 -3.038 634 HA GLU 81 HA GLU 81 -7.050 -24.563 -1.823 635 HB2 GLU 81 HB2 GLU 81 -8.178 -22.863 -4.087 636 HB3 GLU 81 HB3 GLU 81 -9.057 -24.202 -3.354 637 HG2 GLU 81 HG2 GLU 81 -8.142 -21.670 -1.961 638 HG3 GLU 81 HG3 GLU 81 -9.794 -22.095 -2.397 639 H LYS 82 H LYS 82 -5.622 -23.987 -4.970 640 HA LYS 82 HA LYS 82 -6.330 -26.364 -6.285 641 HB2 LYS 82 HB2 LYS 82 -5.429 -24.573 -7.550 642 HB3 LYS 82 HB3 LYS 82 -3.997 -24.451 -6.547 643 HG2 LYS 82 HG2 LYS 82 -4.270 -27.056 -7.950 644 HG3 LYS 82 HG3 LYS 82 -4.122 -25.676 -9.027 645 HD2 LYS 82 HD2 LYS 82 -2.170 -26.391 -6.810 646 HD3 LYS 82 HD3 LYS 82 -1.931 -26.709 -8.529 647 HE2 LYS 82 HE2 LYS 82 -1.912 -24.302 -9.007 648 HE3 LYS 82 HE3 LYS 82 -2.249 -23.938 -7.311 649 HZ1 LYS 82 HZ1 LYS 82 0.170 -25.349 -8.295 650 HZ2 LYS 82 HZ2 LYS 82 -0.136 -24.894 -6.699 651 HZ3 LYS 82 HZ3 LYS 82 0.115 -23.717 -7.885 652 H ASP 83 H ASP 83 -3.411 -25.620 -4.346 653 HA ASP 83 HA ASP 83 -2.414 -28.320 -4.451 654 HB2 ASP 83 HB2 ASP 83 -1.647 -25.935 -2.723 655 HB3 ASP 83 HB3 ASP 83 -0.798 -27.476 -2.665 656 H LYS 84 H LYS 84 -4.482 -26.549 -2.307 657 HA LYS 84 HA LYS 84 -4.185 -28.133 0.045 658 HB2 LYS 84 HB2 LYS 84 -4.815 -25.819 0.156 659 HB3 LYS 84 HB3 LYS 84 -6.229 -26.073 -0.852 660 HG2 LYS 84 HG2 LYS 84 -7.438 -27.085 0.897 661 HG3 LYS 84 HG3 LYS 84 -5.988 -27.387 1.861 662 HD2 LYS 84 HD2 LYS 84 -5.799 -25.124 2.528 663 HD3 LYS 84 HD3 LYS 84 -6.805 -24.538 1.202 664 HE2 LYS 84 HE2 LYS 84 -7.887 -26.225 3.483 665 HE3 LYS 84 HE3 LYS 84 -7.879 -24.459 3.487 666 HZ1 LYS 84 HZ1 LYS 84 -9.311 -26.247 1.612 667 HZ2 LYS 84 HZ2 LYS 84 -9.147 -24.586 1.347 668 HZ3 LYS 84 HZ3 LYS 84 -9.986 -25.155 2.703 669 H LYS 85 H LYS 85 -6.530 -28.117 -2.610 670 HA LYS 85 HA LYS 85 -8.151 -30.239 -1.433 671 HB2 LYS 85 HB2 LYS 85 -8.360 -28.885 -4.161 672 HB3 LYS 85 HB3 LYS 85 -9.542 -29.995 -3.479 673 HG2 LYS 85 HG2 LYS 85 -8.827 -27.264 -2.369 674 HG3 LYS 85 HG3 LYS 85 -10.286 -27.673 -3.277 675 HD2 LYS 85 HD2 LYS 85 -11.036 -29.157 -1.499 676 HD3 LYS 85 HD3 LYS 85 -9.534 -28.902 -0.600 677 HE2 LYS 85 HE2 LYS 85 -11.315 -27.559 0.363 678 HE3 LYS 85 HE3 LYS 85 -10.117 -26.491 -0.369 679 HZ1 LYS 85 HZ1 LYS 85 -12.750 -27.259 -1.523 680 HZ2 LYS 85 HZ2 LYS 85 -11.588 -26.352 -2.339 681 HZ3 LYS 85 HZ3 LYS 85 -12.309 -25.734 -0.944 682 H ALA 86 H ALA 86 -5.739 -29.837 -4.019 683 HA ALA 86 HA ALA 86 -6.001 -32.466 -5.134 684 HB1 ALA 86 HB1 ALA 86 -3.703 -30.498 -5.368 685 HB2 ALA 86 HB2 ALA 86 -5.092 -30.616 -6.448 686 HB3 ALA 86 HB3 ALA 86 -3.934 -31.943 -6.362 687 H LYS 87 H LYS 87 -4.260 -31.148 -2.420 688 HA LYS 87 HA LYS 87 -2.379 -33.155 -1.892 689 HB2 LYS 87 HB2 LYS 87 -2.572 -30.992 -0.639 690 HB3 LYS 87 HB3 LYS 87 -4.027 -31.590 0.150 691 HG2 LYS 87 HG2 LYS 87 -2.089 -31.756 1.640 692 HG3 LYS 87 HG3 LYS 87 -2.705 -33.365 1.250 693 HD2 LYS 87 HD2 LYS 87 -0.896 -33.649 -0.426 694 HD3 LYS 87 HD3 LYS 87 -0.291 -32.032 -0.050 695 HE2 LYS 87 HE2 LYS 87 1.048 -33.754 1.070 696 HE3 LYS 87 HE3 LYS 87 0.206 -32.759 2.260 697 HZ1 LYS 87 HZ1 LYS 87 -0.634 -35.459 1.340 698 HZ2 LYS 87 HZ2 LYS 87 -1.450 -34.515 2.483 699 HZ3 LYS 87 HZ3 LYS 87 0.097 -35.102 2.823 700 H GLN 88 H GLN 88 -5.825 -33.019 -1.292 701 HA GLN 88 HA GLN 88 -5.860 -35.765 -0.180 702 HB2 GLN 88 HB2 GLN 88 -7.803 -33.433 0.113 703 HB3 GLN 88 HB3 GLN 88 -8.133 -35.059 0.706 704 HG2 GLN 88 HG2 GLN 88 -6.180 -34.891 2.225 705 HG3 GLN 88 HG3 GLN 88 -5.874 -33.260 1.618 706 HE21 GLN 88 HE21 GLN 88 -6.098 -32.452 3.774 707 HE22 GLN 88 HE22 GLN 88 -7.654 -32.279 4.506 708 H GLN 89 H GLN 89 -5.738 -34.997 -3.087 709 HA GLN 89 HA GLN 89 -8.355 -35.357 -4.199 710 HB2 GLN 89 HB2 GLN 89 -6.541 -34.153 -5.413 711 HB3 GLN 89 HB3 GLN 89 -5.662 -35.668 -5.598 712 HG2 GLN 89 HG2 GLN 89 -7.461 -36.582 -6.984 713 HG3 GLN 89 HG3 GLN 89 -8.428 -35.127 -6.744 714 HE21 GLN 89 HE21 GLN 89 -5.622 -36.474 -8.311 715 HE22 GLN 89 HE22 GLN 89 -5.388 -35.210 -9.459 716 H LYS 90 H LYS 90 -9.148 -37.154 -3.253 717 HA LYS 90 HA LYS 90 -8.079 -39.838 -3.787 718 HB2 LYS 90 HB2 LYS 90 -9.320 -38.897 -1.609 719 HB3 LYS 90 HB3 LYS 90 -10.781 -39.218 -2.518 720 HG2 LYS 90 HG2 LYS 90 -8.687 -41.306 -1.843 721 HG3 LYS 90 HG3 LYS 90 -10.135 -40.993 -0.889 722 HD2 LYS 90 HD2 LYS 90 -11.529 -41.625 -2.868 723 HD3 LYS 90 HD3 LYS 90 -10.044 -41.994 -3.751 724 HE2 LYS 90 HE2 LYS 90 -9.485 -43.715 -2.028 725 HE3 LYS 90 HE3 LYS 90 -11.024 -43.380 -1.235 726 HZ1 LYS 90 HZ1 LYS 90 -11.134 -45.318 -2.683 727 HZ2 LYS 90 HZ2 LYS 90 -10.730 -44.372 -4.020 728 HZ3 LYS 90 HZ3 LYS 90 -12.183 -44.104 -3.206 729 H THR 91 H THR 91 -9.073 -41.225 -5.290 730 HA THR 91 HA THR 91 -10.243 -41.947 -7.080 731 HB THR 91 HB THR 91 -12.303 -39.780 -6.407 732 HG1 THR 91 HG1 THR 91 -12.866 -41.088 -4.856 733 HG21 THR 91 HG21 THR 91 -13.903 -41.128 -7.701 734 HG22 THR 91 HG22 THR 91 -12.629 -42.261 -8.141 735 HG23 THR 91 HG23 THR 91 -12.575 -40.598 -8.738 736 H LEU 92 H LEU 92 -8.712 -41.451 -8.592 737 HA LEU 92 HA LEU 92 -8.624 -38.806 -9.841 738 HB2 LEU 92 HB2 LEU 92 -6.508 -40.014 -9.287 739 HB3 LEU 92 HB3 LEU 92 -6.960 -41.284 -10.413 740 HG LEU 92 HG LEU 92 -6.842 -39.639 -12.298 741 HD11 LEU 92 HD11 LEU 92 -7.365 -37.585 -11.112 742 HD12 LEU 92 HD12 LEU 92 -5.830 -37.424 -11.960 743 HD13 LEU 92 HD13 LEU 92 -5.848 -37.680 -10.212 744 HD21 LEU 92 HD21 LEU 92 -4.387 -39.464 -12.368 745 HD22 LEU 92 HD22 LEU 92 -4.901 -41.036 -11.764 746 HD23 LEU 92 HD23 LEU 92 -4.305 -39.815 -10.637 747 H LYS 93 H LYS 93 -10.921 -39.210 -10.460 748 HA LYS 93 HA LYS 93 -11.393 -40.876 -12.809 749 HB2 LYS 93 HB2 LYS 93 -13.144 -40.580 -11.059 750 HB3 LYS 93 HB3 LYS 93 -13.214 -38.855 -11.407 751 HG2 LYS 93 HG2 LYS 93 -14.102 -39.296 -13.640 752 HG3 LYS 93 HG3 LYS 93 -13.873 -41.036 -13.426 753 HD2 LYS 93 HD2 LYS 93 -15.518 -40.894 -11.465 754 HD3 LYS 93 HD3 LYS 93 -15.856 -39.236 -11.974 755 HE2 LYS 93 HE2 LYS 93 -16.239 -41.710 -13.687 756 HE3 LYS 93 HE3 LYS 93 -17.523 -40.854 -12.837 757 HZ1 LYS 93 HZ1 LYS 93 -17.393 -40.257 -15.192 758 HZ2 LYS 93 HZ2 LYS 93 -15.820 -39.688 -14.974 759 HZ3 LYS 93 HZ3 LYS 93 -17.107 -38.917 -14.205 760 H GLN 94 H GLN 94 -11.155 -37.456 -11.942 761 HA GLN 94 HA GLN 94 -10.715 -35.553 -13.002 762 HB2 GLN 94 HB2 GLN 94 -8.545 -36.664 -13.267 763 HB3 GLN 94 HB3 GLN 94 -9.072 -37.377 -14.790 764 HG2 GLN 94 HG2 GLN 94 -9.224 -35.138 -15.806 765 HG3 GLN 94 HG3 GLN 94 -8.729 -34.399 -14.281 766 HE21 GLN 94 HE21 GLN 94 -7.661 -36.281 -17.031 767 HE22 GLN 94 HE22 GLN 94 -5.966 -36.075 -16.768 768 H SER 95 H SER 95 -12.744 -34.972 -13.704 769 HA SER 95 HA SER 95 -13.102 -35.016 -16.632 770 HB2 SER 95 HB2 SER 95 -14.662 -36.693 -15.623 771 HB3 SER 95 HB3 SER 95 -15.387 -35.416 -14.649 772 HG SER 95 HG SER 95 -16.565 -34.955 -16.318 773 H ASP 96 H ASP 96 -13.334 -33.030 -17.405 774 HA ASP 96 HA ASP 96 -13.466 -30.724 -15.714 775 HB2 ASP 96 HB2 ASP 96 -12.173 -30.613 -17.777 776 HB3 ASP 96 HB3 ASP 96 -13.580 -31.013 -18.746 777 H THR 97 H THR 97 -15.385 -31.016 -14.590 778 HA THR 97 HA THR 97 -17.967 -31.044 -15.810 779 HB THR 97 HB THR 97 -17.806 -31.967 -13.595 780 HG1 THR 97 HG1 THR 97 -19.559 -30.136 -14.210 781 HG21 THR 97 HG21 THR 97 -15.848 -30.763 -12.727 782 HG22 THR 97 HG22 THR 97 -17.193 -30.649 -11.589 783 HG23 THR 97 HG23 THR 97 -16.794 -29.274 -12.618 784 H LYS 98 H LYS 98 -15.809 -28.575 -14.523 785 HA LYS 98 HA LYS 98 -15.484 -26.406 -14.865 786 HB2 LYS 98 HB2 LYS 98 -15.698 -27.084 -17.282 787 HB3 LYS 98 HB3 LYS 98 -17.396 -26.621 -17.228 788 HG2 LYS 98 HG2 LYS 98 -16.692 -24.277 -16.645 789 HG3 LYS 98 HG3 LYS 98 -15.010 -24.772 -16.834 790 HD2 LYS 98 HD2 LYS 98 -17.144 -24.712 -18.997 791 HD3 LYS 98 HD3 LYS 98 -15.758 -23.633 -18.852 792 HE2 LYS 98 HE2 LYS 98 -15.709 -26.596 -19.498 793 HE3 LYS 98 HE3 LYS 98 -15.293 -25.263 -20.573 794 HZ1 LYS 98 HZ1 LYS 98 -13.802 -26.098 -18.142 795 HZ2 LYS 98 HZ2 LYS 98 -13.427 -24.743 -19.083 796 HZ3 LYS 98 HZ3 LYS 98 -13.309 -26.290 -19.745 797 H VAL 99 H VAL 99 -16.201 -24.647 -13.785 798 HA VAL 99 HA VAL 99 -18.988 -24.432 -12.963 799 HB VAL 99 HB VAL 99 -16.716 -22.468 -12.391 800 HG11 VAL 99 HG11 VAL 99 -19.404 -22.817 -10.998 801 HG12 VAL 99 HG12 VAL 99 -18.968 -21.502 -12.090 802 HG13 VAL 99 HG13 VAL 99 -18.140 -21.672 -10.545 803 HG21 VAL 99 HG21 VAL 99 -16.107 -24.683 -11.548 804 HG22 VAL 99 HG22 VAL 99 -17.643 -24.815 -10.692 805 HG23 VAL 99 HG23 VAL 99 -16.461 -23.596 -10.204 Start of MODEL 7 1 H2 GLY 1 H2 GLY 1 -1.018 3.223 24.242 2 H GLY 1 H1 GLY 1 -0.653 4.755 24.838 3 H3 GLY 1 H3 GLY 1 -0.444 3.402 25.826 4 HA2 GLY 1 HA2 GLY 1 -2.809 3.007 25.878 5 HA3 GLY 1 HA3 GLY 1 -2.437 4.637 26.417 6 H VAL 2 H VAL 2 -4.533 5.379 25.900 7 HA VAL 2 HA VAL 2 -5.542 5.396 23.205 8 HB VAL 2 HB VAL 2 -7.225 7.018 24.034 9 HG11 VAL 2 HG11 VAL 2 -8.341 5.571 25.698 10 HG12 VAL 2 HG12 VAL 2 -6.836 4.680 25.950 11 HG13 VAL 2 HG13 VAL 2 -7.645 4.623 24.382 12 HG21 VAL 2 HG21 VAL 2 -7.272 7.773 26.386 13 HG22 VAL 2 HG22 VAL 2 -5.823 8.349 25.565 14 HG23 VAL 2 HG23 VAL 2 -5.716 6.987 26.682 15 H GLU 3 H GLU 3 -5.548 7.141 21.737 16 HA GLU 3 HA GLU 3 -3.027 8.534 21.673 17 HB2 GLU 3 HB2 GLU 3 -5.321 8.495 19.670 18 HB3 GLU 3 HB3 GLU 3 -3.756 9.258 19.391 19 HG2 GLU 3 HG2 GLU 3 -2.680 6.990 19.717 20 HG3 GLU 3 HG3 GLU 3 -4.306 6.300 19.764 21 H LYS 4 H LYS 4 -6.433 9.608 21.327 22 HA LYS 4 HA LYS 4 -7.465 11.601 21.480 23 HB2 LYS 4 HB2 LYS 4 -5.454 11.918 23.744 24 HB3 LYS 4 HB3 LYS 4 -6.735 13.087 23.461 25 HG2 LYS 4 HG2 LYS 4 -7.485 10.185 23.825 26 HG3 LYS 4 HG3 LYS 4 -7.011 11.127 25.232 27 HD2 LYS 4 HD2 LYS 4 -9.416 11.147 25.049 28 HD3 LYS 4 HD3 LYS 4 -8.814 12.770 24.735 29 HE2 LYS 4 HE2 LYS 4 -10.639 12.227 23.218 30 HE3 LYS 4 HE3 LYS 4 -9.141 12.377 22.300 31 HZ1 LYS 4 HZ1 LYS 4 -10.296 9.792 23.199 32 HZ2 LYS 4 HZ2 LYS 4 -8.989 10.006 22.146 33 HZ3 LYS 4 HZ3 LYS 4 -10.542 10.456 21.669 34 H THR 5 H THR 5 -5.711 11.462 19.411 35 HA THR 5 HA THR 5 -3.939 13.717 19.227 36 HB THR 5 HB THR 5 -3.789 12.998 16.787 37 HG1 THR 5 HG1 THR 5 -5.746 12.031 16.404 38 HG21 THR 5 HG21 THR 5 -2.207 12.058 18.443 39 HG22 THR 5 HG22 THR 5 -2.636 10.854 17.228 40 HG23 THR 5 HG23 THR 5 -3.364 10.779 18.832 41 H ALA 6 H ALA 6 -5.471 15.373 19.839 42 HA ALA 6 HA ALA 6 -7.810 15.981 18.267 43 HB1 ALA 6 HB1 ALA 6 -8.036 17.926 19.782 44 HB2 ALA 6 HB2 ALA 6 -6.437 17.592 20.451 45 HB3 ALA 6 HB3 ALA 6 -7.747 16.438 20.694 46 H GLY 7 H GLY 7 -7.159 16.377 16.164 47 HA2 GLY 7 HA2 GLY 7 -6.168 19.053 15.587 48 HA3 GLY 7 HA3 GLY 7 -5.118 17.754 15.025 49 H GLU 8 H GLU 8 -8.611 17.540 15.188 50 HA GLU 8 HA GLU 8 -8.820 17.246 12.273 51 HB2 GLU 8 HB2 GLU 8 -11.175 16.486 12.745 52 HB3 GLU 8 HB3 GLU 8 -9.933 15.492 13.471 53 HG2 GLU 8 HG2 GLU 8 -11.696 15.643 15.052 54 HG3 GLU 8 HG3 GLU 8 -10.385 16.646 15.667 55 H THR 9 H THR 9 -10.573 18.356 11.111 56 HA THR 9 HA THR 9 -11.981 20.594 12.017 57 HB THR 9 HB THR 9 -9.852 21.774 12.314 58 HG1 THR 9 HG1 THR 9 -11.691 22.926 11.379 59 HG21 THR 9 HG21 THR 9 -8.414 20.520 10.753 60 HG22 THR 9 HG22 THR 9 -8.321 22.257 10.440 61 HG23 THR 9 HG23 THR 9 -9.283 21.217 9.384 62 H SER 10 H SER 10 -10.354 18.968 9.353 63 HA SER 10 HA SER 10 -10.818 18.544 7.197 64 HB2 SER 10 HB2 SER 10 -13.703 18.983 8.069 65 HB3 SER 10 HB3 SER 10 -13.208 18.219 6.559 66 HG SER 10 HG SER 10 -13.309 17.182 9.095 67 H ALA 11 H ALA 11 -10.465 21.434 8.087 68 HA ALA 11 HA ALA 11 -10.799 22.709 5.547 69 HB1 ALA 11 HB1 ALA 11 -12.320 24.523 6.293 70 HB2 ALA 11 HB2 ALA 11 -12.534 23.715 7.848 71 HB3 ALA 11 HB3 ALA 11 -13.115 22.948 6.369 72 H THR 12 H THR 12 -8.567 22.992 5.790 73 HA THR 12 HA THR 12 -7.761 25.458 6.984 74 HB THR 12 HB THR 12 -7.440 24.108 9.017 75 HG1 THR 12 HG1 THR 12 -5.887 25.675 8.734 76 HG21 THR 12 HG21 THR 12 -7.180 21.879 7.996 77 HG22 THR 12 HG22 THR 12 -5.865 22.229 9.123 78 HG23 THR 12 HG23 THR 12 -5.595 22.340 7.381 79 H ASP 13 H ASP 13 -6.037 26.308 5.895 80 HA ASP 13 HA ASP 13 -5.204 25.061 3.427 81 HB2 ASP 13 HB2 ASP 13 -4.701 27.768 4.727 82 HB3 ASP 13 HB3 ASP 13 -3.774 27.279 3.312 83 H THR 14 H THR 14 -4.089 23.246 4.151 84 HA THR 14 HA THR 14 -2.304 21.936 4.575 85 HB THR 14 HB THR 14 -0.437 24.339 4.238 86 HG1 THR 14 HG1 THR 14 -1.123 24.682 2.248 87 HG21 THR 14 HG21 THR 14 0.951 22.752 2.956 88 HG22 THR 14 HG22 THR 14 -0.276 21.497 3.137 89 HG23 THR 14 HG23 THR 14 0.602 22.086 4.552 90 H GLY 15 H GLY 15 0.229 22.898 6.034 91 HA2 GLY 15 HA2 GLY 15 1.041 23.477 8.080 92 HA3 GLY 15 HA3 GLY 15 -0.411 24.426 8.331 93 H LYS 16 H LYS 16 -2.201 23.463 9.297 94 HA LYS 16 HA LYS 16 -1.797 21.702 11.478 95 HB2 LYS 16 HB2 LYS 16 -4.462 22.442 10.193 96 HB3 LYS 16 HB3 LYS 16 -4.184 21.955 11.868 97 HG2 LYS 16 HG2 LYS 16 -2.979 24.020 12.320 98 HG3 LYS 16 HG3 LYS 16 -3.075 24.485 10.614 99 HD2 LYS 16 HD2 LYS 16 -5.581 24.530 10.840 100 HD3 LYS 16 HD3 LYS 16 -5.378 24.212 12.565 101 HE2 LYS 16 HE2 LYS 16 -4.298 26.643 11.090 102 HE3 LYS 16 HE3 LYS 16 -5.731 26.615 12.121 103 HZ1 LYS 16 HZ1 LYS 16 -3.803 27.450 13.316 104 HZ2 LYS 16 HZ2 LYS 16 -2.962 26.017 13.008 105 HZ3 LYS 16 HZ3 LYS 16 -4.335 25.991 13.988 106 H ARG 17 H ARG 17 -3.434 21.406 8.360 107 HA ARG 17 HA ARG 17 -4.209 18.685 8.478 108 HB2 ARG 17 HB2 ARG 17 -4.973 20.629 6.854 109 HB3 ARG 17 HB3 ARG 17 -3.607 20.157 5.868 110 HG2 ARG 17 HG2 ARG 17 -5.846 18.258 6.650 111 HG3 ARG 17 HG3 ARG 17 -5.879 19.233 5.183 112 HD2 ARG 17 HD2 ARG 17 -3.852 17.079 5.871 113 HD3 ARG 17 HD3 ARG 17 -5.159 16.943 4.697 114 HE ARG 17 HE ARG 17 -2.600 18.239 4.347 115 HH11 ARG 17 HH11 ARG 17 -5.908 18.047 3.103 116 HH12 ARG 17 HH12 ARG 17 -5.479 18.660 1.540 117 HH21 ARG 17 HH21 ARG 17 -2.071 19.032 2.270 118 HH22 ARG 17 HH22 ARG 17 -3.309 19.216 1.069 119 H GLU 18 H GLU 18 -1.264 20.340 7.466 120 HA GLU 18 HA GLU 18 0.029 18.236 6.085 121 HB2 GLU 18 HB2 GLU 18 0.551 20.845 6.230 122 HB3 GLU 18 HB3 GLU 18 1.581 20.388 7.576 123 HG2 GLU 18 HG2 GLU 18 1.836 19.356 4.726 124 HG3 GLU 18 HG3 GLU 18 2.807 20.643 5.427 125 H LYS 19 H LYS 19 0.004 19.236 9.512 126 HA LYS 19 HA LYS 19 2.028 17.496 10.458 127 HB2 LYS 19 HB2 LYS 19 -0.342 18.633 12.013 128 HB3 LYS 19 HB3 LYS 19 1.109 17.947 12.727 129 HG2 LYS 19 HG2 LYS 19 0.872 20.529 11.163 130 HG3 LYS 19 HG3 LYS 19 1.174 20.358 12.885 131 HD2 LYS 19 HD2 LYS 19 3.319 20.823 12.160 132 HD3 LYS 19 HD3 LYS 19 3.367 19.068 12.035 133 HE2 LYS 19 HE2 LYS 19 2.803 19.299 9.596 134 HE3 LYS 19 HE3 LYS 19 2.898 21.050 9.784 135 HZ1 LYS 19 HZ1 LYS 19 5.144 19.194 10.353 136 HZ2 LYS 19 HZ2 LYS 19 5.205 20.881 10.319 137 HZ3 LYS 19 HZ3 LYS 19 4.940 20.017 8.891 138 H GLN 20 H GLN 20 -1.487 17.159 10.192 139 HA GLN 20 HA GLN 20 -1.741 14.528 11.261 140 HB2 GLN 20 HB2 GLN 20 -3.576 15.953 9.284 141 HB3 GLN 20 HB3 GLN 20 -4.009 14.564 10.281 142 HG2 GLN 20 HG2 GLN 20 -3.393 17.380 11.222 143 HG3 GLN 20 HG3 GLN 20 -4.959 16.570 11.245 144 HE21 GLN 20 HE21 GLN 20 -3.445 17.783 13.443 145 HE22 GLN 20 HE22 GLN 20 -3.222 16.539 14.621 146 H LEU 21 H LEU 21 -1.042 15.812 8.089 147 HA LEU 21 HA LEU 21 -1.542 13.489 6.539 148 HB2 LEU 21 HB2 LEU 21 -1.577 15.757 5.625 149 HB3 LEU 21 HB3 LEU 21 0.124 15.973 5.961 150 HG LEU 21 HG LEU 21 -0.634 13.724 4.081 151 HD11 LEU 21 HD11 LEU 21 -0.657 16.621 3.189 152 HD12 LEU 21 HD12 LEU 21 -2.061 15.556 3.305 153 HD13 LEU 21 HD13 LEU 21 -0.783 15.196 2.150 154 HD21 LEU 21 HD21 LEU 21 1.672 15.719 4.048 155 HD22 LEU 21 HD22 LEU 21 1.454 14.374 2.922 156 HD23 LEU 21 HD23 LEU 21 1.744 14.052 4.630 157 H GLN 22 H GLN 22 1.304 14.709 8.277 158 HA GLN 22 HA GLN 22 3.240 12.894 7.225 159 HB2 GLN 22 HB2 GLN 22 3.275 14.096 10.035 160 HB3 GLN 22 HB3 GLN 22 4.649 13.485 9.116 161 HG2 GLN 22 HG2 GLN 22 4.243 15.339 7.452 162 HG3 GLN 22 HG3 GLN 22 3.049 15.991 8.572 163 HE21 GLN 22 HE21 GLN 22 5.434 17.281 7.657 164 HE22 GLN 22 HE22 GLN 22 6.416 17.583 9.048 165 H GLN 23 H GLN 23 1.030 12.775 9.960 166 HA GLN 23 HA GLN 23 1.887 10.302 11.098 167 HB2 GLN 23 HB2 GLN 23 -0.734 11.843 11.372 168 HB3 GLN 23 HB3 GLN 23 -0.276 10.475 12.386 169 HG2 GLN 23 HG2 GLN 23 1.587 11.707 13.325 170 HG3 GLN 23 HG3 GLN 23 1.342 13.040 12.196 171 HE21 GLN 23 HE21 GLN 23 -0.377 14.473 12.544 172 HE22 GLN 23 HE22 GLN 23 -1.230 14.564 14.042 173 H TRP 24 H TRP 24 -0.610 11.218 8.775 174 HA TRP 24 HA TRP 24 -1.786 8.636 8.418 175 HB2 TRP 24 HB2 TRP 24 -3.107 10.598 7.869 176 HB3 TRP 24 HB3 TRP 24 -1.872 11.204 6.773 177 HD1 TRP 24 HD1 TRP 24 -3.539 7.667 6.762 178 HE1 TRP 24 HE1 TRP 24 -4.607 7.304 4.446 179 HE3 TRP 24 HE3 TRP 24 -2.574 12.240 4.697 180 HZ2 TRP 24 HZ2 TRP 24 -5.004 8.754 2.082 181 HZ3 TRP 24 HZ3 TRP 24 -3.337 12.675 2.398 182 HH2 TRP 24 HH2 TRP 24 -4.525 10.967 1.117 183 H LYS 25 H LYS 25 0.852 10.415 6.866 184 HA LYS 25 HA LYS 25 1.390 8.778 4.661 185 HB2 LYS 25 HB2 LYS 25 2.377 10.932 4.806 186 HB3 LYS 25 HB3 LYS 25 3.013 10.646 6.417 187 HG2 LYS 25 HG2 LYS 25 4.746 9.202 5.562 188 HG3 LYS 25 HG3 LYS 25 4.042 9.239 3.943 189 HD2 LYS 25 HD2 LYS 25 5.261 11.594 5.427 190 HD3 LYS 25 HD3 LYS 25 5.965 10.724 4.071 191 HE2 LYS 25 HE2 LYS 25 3.877 11.421 2.733 192 HE3 LYS 25 HE3 LYS 25 3.547 12.536 4.060 193 HZ1 LYS 25 HZ1 LYS 25 5.633 13.614 3.671 194 HZ2 LYS 25 HZ2 LYS 25 4.760 13.562 2.226 195 HZ3 LYS 25 HZ3 LYS 25 6.051 12.501 2.473 196 H ASN 26 H ASN 26 2.493 8.666 8.023 197 HA ASN 26 HA ASN 26 4.161 6.383 7.836 198 HB2 ASN 26 HB2 ASN 26 2.725 7.604 10.219 199 HB3 ASN 26 HB3 ASN 26 3.939 6.330 10.343 200 HD21 ASN 26 HD21 ASN 26 3.894 9.129 11.347 201 HD22 ASN 26 HD22 ASN 26 5.346 9.843 10.755 202 H ASN 27 H ASN 27 0.682 6.792 8.557 203 HA ASN 27 HA ASN 27 0.041 4.120 9.166 204 HB2 ASN 27 HB2 ASN 27 -1.606 6.412 8.042 205 HB3 ASN 27 HB3 ASN 27 -2.315 4.803 8.142 206 HD21 ASN 27 HD21 ASN 27 -2.589 3.840 10.193 207 HD22 ASN 27 HD22 ASN 27 -2.674 4.801 11.626 208 H LEU 28 H LEU 28 0.097 5.830 6.056 209 HA LEU 28 HA LEU 28 -0.864 3.840 4.370 210 HB2 LEU 28 HB2 LEU 28 1.156 6.046 3.774 211 HB3 LEU 28 HB3 LEU 28 0.401 5.055 2.536 212 HG LEU 28 HG LEU 28 -1.062 6.985 4.382 213 HD11 LEU 28 HD11 LEU 28 -1.406 8.359 2.389 214 HD12 LEU 28 HD12 LEU 28 -0.436 7.239 1.426 215 HD13 LEU 28 HD13 LEU 28 0.310 8.156 2.737 216 HD21 LEU 28 HD21 LEU 28 -3.034 6.542 3.004 217 HD22 LEU 28 HD22 LEU 28 -2.474 5.082 3.811 218 HD23 LEU 28 HD23 LEU 28 -2.144 5.317 2.092 219 H LYS 29 H LYS 29 2.523 4.612 5.208 220 HA LYS 29 HA LYS 29 3.766 2.571 3.691 221 HB2 LYS 29 HB2 LYS 29 4.748 4.072 6.150 222 HB3 LYS 29 HB3 LYS 29 5.768 3.039 5.147 223 HG2 LYS 29 HG2 LYS 29 5.462 4.505 3.226 224 HG3 LYS 29 HG3 LYS 29 4.313 5.504 4.122 225 HD2 LYS 29 HD2 LYS 29 7.259 5.143 4.820 226 HD3 LYS 29 HD3 LYS 29 6.563 6.547 4.005 227 HE2 LYS 29 HE2 LYS 29 5.208 7.054 5.989 228 HE3 LYS 29 HE3 LYS 29 5.830 5.617 6.802 229 HZ1 LYS 29 HZ1 LYS 29 8.038 6.580 6.745 230 HZ2 LYS 29 HZ2 LYS 29 6.956 7.625 7.528 231 HZ3 LYS 29 HZ3 LYS 29 7.452 7.945 5.948 232 H ASN 30 H ASN 30 2.455 2.613 6.980 233 HA ASN 30 HA ASN 30 3.521 0.100 7.828 234 HB2 ASN 30 HB2 ASN 30 1.248 1.829 8.865 235 HB3 ASN 30 HB3 ASN 30 1.490 0.210 9.508 236 HD21 ASN 30 HD21 ASN 30 3.980 2.588 8.559 237 HD22 ASN 30 HD22 ASN 30 4.652 2.732 10.141 238 H ASP 31 H ASP 31 0.418 1.072 6.362 239 HA ASP 31 HA ASP 31 -0.843 -1.447 6.319 240 HB2 ASP 31 HB2 ASP 31 -1.149 0.853 4.335 241 HB3 ASP 31 HB3 ASP 31 -2.207 -0.548 4.401 242 H VAL 32 H VAL 32 1.208 0.211 3.943 243 HA VAL 32 HA VAL 32 1.331 -1.665 1.887 244 HB VAL 32 HB VAL 32 3.426 0.360 2.827 245 HG11 VAL 32 HG11 VAL 32 4.525 0.154 0.635 246 HG12 VAL 32 HG12 VAL 32 3.434 -1.163 0.198 247 HG13 VAL 32 HG13 VAL 32 4.584 -1.372 1.520 248 HG21 VAL 32 HG21 VAL 32 1.487 0.508 0.489 249 HG22 VAL 32 HG22 VAL 32 2.637 1.758 0.975 250 HG23 VAL 32 HG23 VAL 32 1.291 1.333 2.033 251 H ASP 33 H ASP 33 3.178 -1.447 4.887 252 HA ASP 33 HA ASP 33 4.976 -3.628 4.311 253 HB2 ASP 33 HB2 ASP 33 5.562 -1.649 5.773 254 HB3 ASP 33 HB3 ASP 33 4.440 -2.256 6.989 255 H ASN 34 H ASN 34 1.867 -3.283 5.881 256 HA ASN 34 HA ASN 34 1.912 -5.838 7.279 257 HB2 ASN 34 HB2 ASN 34 -0.275 -3.741 6.912 258 HB3 ASN 34 HB3 ASN 34 -0.514 -5.235 7.818 259 HD21 ASN 34 HD21 ASN 34 -0.544 -2.367 8.648 260 HD22 ASN 34 HD22 ASN 34 0.548 -2.269 9.977 261 H THR 35 H THR 35 0.912 -4.644 4.190 262 HA THR 35 HA THR 35 -0.925 -6.778 3.543 263 HB THR 35 HB THR 35 -0.744 -5.773 1.198 264 HG1 THR 35 HG1 THR 35 0.619 -3.657 2.489 265 HG21 THR 35 HG21 THR 35 -2.016 -3.722 1.731 266 HG22 THR 35 HG22 THR 35 -1.547 -3.867 3.425 267 HG23 THR 35 HG23 THR 35 -2.581 -5.094 2.691 268 H ILE 36 H ILE 36 -0.514 -8.177 1.617 269 HA ILE 36 HA ILE 36 2.039 -9.537 1.900 270 HB ILE 36 HB ILE 36 1.071 -11.353 0.595 271 HG12 ILE 36 HG12 ILE 36 -1.442 -9.658 0.141 272 HG13 ILE 36 HG13 ILE 36 -0.201 -9.914 -1.079 273 HG21 ILE 36 HG21 ILE 36 0.459 -11.213 2.991 274 HG22 ILE 36 HG22 ILE 36 -0.817 -11.977 2.043 275 HG23 ILE 36 HG23 ILE 36 -0.997 -10.302 2.567 276 HD11 ILE 36 HD11 ILE 36 -1.902 -12.082 0.165 277 HD12 ILE 36 HD12 ILE 36 -0.672 -12.313 -1.081 278 HD13 ILE 36 HD13 ILE 36 -2.118 -11.369 -1.432 279 H LEU 37 H LEU 37 1.902 -6.861 0.454 280 HA LEU 37 HA LEU 37 2.391 -7.160 -2.299 281 HB2 LEU 37 HB2 LEU 37 3.660 -5.085 -0.470 282 HB3 LEU 37 HB3 LEU 37 3.493 -4.973 -2.213 283 HG LEU 37 HG LEU 37 1.310 -4.757 -0.124 284 HD11 LEU 37 HD11 LEU 37 2.320 -2.751 -2.155 285 HD12 LEU 37 HD12 LEU 37 2.651 -2.749 -0.420 286 HD13 LEU 37 HD13 LEU 37 1.007 -2.499 -0.998 287 HD21 LEU 37 HD21 LEU 37 -0.298 -4.385 -1.948 288 HD22 LEU 37 HD22 LEU 37 0.347 -6.022 -1.926 289 HD23 LEU 37 HD23 LEU 37 0.935 -4.862 -3.124 290 H SER 38 H SER 38 4.327 -7.313 -3.475 291 HA SER 38 HA SER 38 6.383 -8.988 -2.469 292 HB2 SER 38 HB2 SER 38 6.359 -7.273 -4.989 293 HB3 SER 38 HB3 SER 38 7.397 -8.668 -4.686 294 HG SER 38 HG SER 38 5.486 -9.952 -4.585 295 H HIS 39 H HIS 39 8.788 -8.357 -2.669 296 HA HIS 39 HA HIS 39 9.415 -6.521 -0.666 297 HB2 HIS 39 HB2 HIS 39 10.880 -8.413 -1.305 298 HB3 HIS 39 HB3 HIS 39 11.241 -7.636 -2.845 299 HD1 HIS 39 HD1 HIS 39 11.894 -7.295 0.857 300 HD2 HIS 39 HD2 HIS 39 13.273 -5.701 -2.730 301 HE1 HIS 39 HE1 HIS 39 13.890 -5.896 1.457 302 HE2 HIS 39 HE2 HIS 39 14.777 -5.046 -0.736 303 H GLU 40 H GLU 40 9.667 -6.169 -4.199 304 HA GLU 40 HA GLU 40 10.720 -3.497 -4.120 305 HB2 GLU 40 HB2 GLU 40 9.534 -5.026 -6.475 306 HB3 GLU 40 HB3 GLU 40 10.475 -3.538 -6.574 307 HG2 GLU 40 HG2 GLU 40 12.413 -4.794 -5.526 308 HG3 GLU 40 HG3 GLU 40 11.451 -6.265 -5.674 309 H GLN 41 H GLN 41 7.484 -4.910 -4.525 310 HA GLN 41 HA GLN 41 6.049 -2.608 -5.274 311 HB2 GLN 41 HB2 GLN 41 5.166 -5.045 -3.655 312 HB3 GLN 41 HB3 GLN 41 4.051 -3.772 -4.146 313 HG2 GLN 41 HG2 GLN 41 5.656 -5.519 -6.027 314 HG3 GLN 41 HG3 GLN 41 3.950 -5.726 -5.637 315 HE21 GLN 41 HE21 GLN 41 2.457 -4.189 -6.435 316 HE22 GLN 41 HE22 GLN 41 2.833 -3.130 -7.743 317 H LYS 42 H LYS 42 6.843 -3.911 -2.049 318 HA LYS 42 HA LYS 42 5.436 -2.032 -0.517 319 HB2 LYS 42 HB2 LYS 42 7.825 -3.781 0.181 320 HB3 LYS 42 HB3 LYS 42 7.065 -2.714 1.361 321 HG2 LYS 42 HG2 LYS 42 4.896 -3.909 0.939 322 HG3 LYS 42 HG3 LYS 42 5.787 -5.071 -0.054 323 HD2 LYS 42 HD2 LYS 42 7.122 -5.763 1.871 324 HD3 LYS 42 HD3 LYS 42 6.416 -4.490 2.874 325 HE2 LYS 42 HE2 LYS 42 4.200 -5.580 2.654 326 HE3 LYS 42 HE3 LYS 42 4.942 -6.875 1.709 327 HZ1 LYS 42 HZ1 LYS 42 6.215 -7.548 3.575 328 HZ2 LYS 42 HZ2 LYS 42 4.628 -7.355 4.123 329 HZ3 LYS 42 HZ3 LYS 42 5.789 -6.179 4.467 330 H ASN 43 H ASN 43 8.897 -2.169 -1.347 331 HA ASN 43 HA ASN 43 9.644 0.206 -0.021 332 HB2 ASN 43 HB2 ASN 43 10.976 -1.455 -2.215 333 HB3 ASN 43 HB3 ASN 43 11.740 0.001 -1.589 334 HD21 ASN 43 HD21 ASN 43 12.468 -2.916 -1.436 335 HD22 ASN 43 HD22 ASN 43 12.767 -3.188 0.247 336 H GLU 44 H GLU 44 8.483 -0.408 -3.303 337 HA GLU 44 HA GLU 44 9.200 2.031 -4.538 338 HB2 GLU 44 HB2 GLU 44 8.504 -0.048 -5.773 339 HB3 GLU 44 HB3 GLU 44 6.857 0.182 -5.204 340 HG2 GLU 44 HG2 GLU 44 7.085 0.924 -7.514 341 HG3 GLU 44 HG3 GLU 44 6.703 2.289 -6.465 342 H PHE 45 H PHE 45 6.092 0.922 -3.108 343 HA PHE 45 HA PHE 45 4.688 3.345 -3.403 344 HB2 PHE 45 HB2 PHE 45 4.242 0.933 -1.605 345 HB3 PHE 45 HB3 PHE 45 3.207 2.350 -1.464 346 HD1 PHE 45 HD1 PHE 45 2.258 3.248 -3.807 347 HD2 PHE 45 HD2 PHE 45 3.479 -0.791 -3.058 348 HE1 PHE 45 HE1 PHE 45 0.864 2.469 -5.674 349 HE2 PHE 45 HE2 PHE 45 2.080 -1.558 -4.935 350 HZ PHE 45 HZ PHE 45 0.773 0.074 -6.243 351 H LYS 46 H LYS 46 6.521 2.092 -0.585 352 HA LYS 46 HA LYS 46 5.946 4.131 1.258 353 HB2 LYS 46 HB2 LYS 46 8.471 2.441 1.015 354 HB3 LYS 46 HB3 LYS 46 8.060 3.424 2.423 355 HG2 LYS 46 HG2 LYS 46 6.075 2.065 2.839 356 HG3 LYS 46 HG3 LYS 46 6.390 1.117 1.381 357 HD2 LYS 46 HD2 LYS 46 8.628 0.454 2.429 358 HD3 LYS 46 HD3 LYS 46 8.065 1.224 3.917 359 HE2 LYS 46 HE2 LYS 46 6.088 -0.323 3.867 360 HE3 LYS 46 HE3 LYS 46 6.829 -1.153 2.505 361 HZ1 LYS 46 HZ1 LYS 46 7.376 -2.316 4.499 362 HZ2 LYS 46 HZ2 LYS 46 7.918 -0.911 5.253 363 HZ3 LYS 46 HZ3 LYS 46 8.786 -1.554 3.954 364 H THR 47 H THR 47 8.461 3.934 -1.234 365 HA THR 47 HA THR 47 9.878 6.306 -0.674 366 HB THR 47 HB THR 47 9.430 4.872 -3.330 367 HG1 THR 47 HG1 THR 47 10.613 3.873 -1.445 368 HG21 THR 47 HG21 THR 47 11.431 6.071 -4.178 369 HG22 THR 47 HG22 THR 47 11.509 7.010 -2.688 370 HG23 THR 47 HG23 THR 47 10.141 7.213 -3.780 371 H LYS 48 H LYS 48 7.179 5.700 -2.946 372 HA LYS 48 HA LYS 48 6.859 8.285 -3.969 373 HB2 LYS 48 HB2 LYS 48 4.742 6.115 -3.580 374 HB3 LYS 48 HB3 LYS 48 4.557 7.534 -4.614 375 HG2 LYS 48 HG2 LYS 48 6.418 6.757 -6.029 376 HG3 LYS 48 HG3 LYS 48 6.611 5.333 -4.998 377 HD2 LYS 48 HD2 LYS 48 4.319 4.595 -5.586 378 HD3 LYS 48 HD3 LYS 48 4.111 6.031 -6.593 379 HE2 LYS 48 HE2 LYS 48 6.087 3.780 -7.047 380 HE3 LYS 48 HE3 LYS 48 4.635 4.113 -7.990 381 HZ1 LYS 48 HZ1 LYS 48 7.052 5.825 -7.794 382 HZ2 LYS 48 HZ2 LYS 48 5.638 6.264 -8.608 383 HZ3 LYS 48 HZ3 LYS 48 6.544 4.939 -9.144 384 H ILE 49 H ILE 49 5.387 6.715 -1.185 385 HA ILE 49 HA ILE 49 3.480 8.656 -0.483 386 HB ILE 49 HB ILE 49 4.806 6.457 1.177 387 HG12 ILE 49 HG12 ILE 49 1.984 6.509 0.005 388 HG13 ILE 49 HG13 ILE 49 3.354 5.797 -0.834 389 HG21 ILE 49 HG21 ILE 49 2.372 8.111 1.932 390 HG22 ILE 49 HG22 ILE 49 3.951 8.169 2.714 391 HG23 ILE 49 HG23 ILE 49 2.973 6.706 2.815 392 HD11 ILE 49 HD11 ILE 49 2.024 4.100 0.260 393 HD12 ILE 49 HD12 ILE 49 2.250 4.882 1.822 394 HD13 ILE 49 HD13 ILE 49 3.631 4.177 0.978 395 H ASP 50 H ASP 50 6.819 8.048 0.729 396 HA ASP 50 HA ASP 50 6.879 10.162 2.618 397 HB2 ASP 50 HB2 ASP 50 9.040 8.515 1.284 398 HB3 ASP 50 HB3 ASP 50 9.508 9.913 2.248 399 H GLU 51 H GLU 51 7.744 10.067 -0.819 400 HA GLU 51 HA GLU 51 9.051 12.622 -0.863 401 HB2 GLU 51 HB2 GLU 51 7.941 10.931 -3.161 402 HB3 GLU 51 HB3 GLU 51 8.950 12.362 -3.362 403 HG2 GLU 51 HG2 GLU 51 9.772 9.762 -2.041 404 HG3 GLU 51 HG3 GLU 51 10.259 10.315 -3.638 405 H THR 52 H THR 52 5.774 11.565 -1.110 406 HA THR 52 HA THR 52 4.812 14.055 -2.341 407 HB THR 52 HB THR 52 3.363 11.428 -1.755 408 HG1 THR 52 HG1 THR 52 4.953 11.327 -3.423 409 HG21 THR 52 HG21 THR 52 2.435 13.838 -3.369 410 HG22 THR 52 HG22 THR 52 1.784 13.341 -1.800 411 HG23 THR 52 HG23 THR 52 1.586 12.304 -3.214 412 H ASN 53 H ASN 53 4.269 15.642 -0.974 413 HA ASN 53 HA ASN 53 3.033 15.106 1.672 414 HB2 ASN 53 HB2 ASN 53 4.097 17.721 0.515 415 HB3 ASN 53 HB3 ASN 53 3.473 17.496 2.147 416 HD21 ASN 53 HD21 ASN 53 6.143 18.352 1.144 417 HD22 ASN 53 HD22 ASN 53 7.276 17.283 1.891 418 H ASP 54 H ASP 54 1.967 15.236 -1.316 419 HA ASP 54 HA ASP 54 -0.306 17.075 -1.027 420 HB2 ASP 54 HB2 ASP 54 0.956 16.902 -3.211 421 HB3 ASP 54 HB3 ASP 54 0.446 15.224 -3.358 422 H SER 55 H SER 55 -2.193 16.368 -0.213 423 HA SER 55 HA SER 55 -2.569 13.780 0.820 424 HB2 SER 55 HB2 SER 55 -3.595 15.769 1.825 425 HB3 SER 55 HB3 SER 55 -4.615 15.997 0.406 426 HG SER 55 HG SER 55 -4.904 13.483 1.349 427 H ASP 56 H ASP 56 -3.854 15.292 -2.155 428 HA ASP 56 HA ASP 56 -5.794 13.307 -2.790 429 HB2 ASP 56 HB2 ASP 56 -4.356 15.357 -4.531 430 HB3 ASP 56 HB3 ASP 56 -5.620 14.303 -5.160 431 H ALA 57 H ALA 57 -2.420 13.733 -3.673 432 HA ALA 57 HA ALA 57 -2.228 11.531 -5.481 433 HB1 ALA 57 HB1 ALA 57 -0.689 13.422 -5.618 434 HB2 ALA 57 HB2 ALA 57 0.212 11.931 -5.330 435 HB3 ALA 57 HB3 ALA 57 -0.068 13.068 -4.007 436 H LEU 58 H LEU 58 -1.695 11.953 -1.984 437 HA LEU 58 HA LEU 58 -0.655 9.337 -1.480 438 HB2 LEU 58 HB2 LEU 58 -1.981 11.370 0.352 439 HB3 LEU 58 HB3 LEU 58 -1.394 9.825 0.937 440 HG LEU 58 HG LEU 58 0.276 12.116 -0.169 441 HD11 LEU 58 HD11 LEU 58 -0.466 12.426 2.138 442 HD12 LEU 58 HD12 LEU 58 1.269 12.130 2.092 443 HD13 LEU 58 HD13 LEU 58 0.167 10.839 2.593 444 HD21 LEU 58 HD21 LEU 58 1.232 9.354 0.649 445 HD22 LEU 58 HD22 LEU 58 2.257 10.732 0.232 446 HD23 LEU 58 HD23 LEU 58 1.214 10.014 -0.990 447 H LEU 59 H LEU 59 -3.924 10.671 -1.629 448 HA LEU 59 HA LEU 59 -5.423 8.461 -0.692 449 HB2 LEU 59 HB2 LEU 59 -6.112 10.701 -2.641 450 HB3 LEU 59 HB3 LEU 59 -7.295 9.495 -2.164 451 HG LEU 59 HG LEU 59 -5.897 11.326 -0.174 452 HD11 LEU 59 HD11 LEU 59 -7.926 12.693 -0.124 453 HD12 LEU 59 HD12 LEU 59 -8.627 11.741 -1.436 454 HD13 LEU 59 HD13 LEU 59 -7.182 12.713 -1.721 455 HD21 LEU 59 HD21 LEU 59 -7.708 10.668 1.348 456 HD22 LEU 59 HD22 LEU 59 -6.775 9.274 0.818 457 HD23 LEU 59 HD23 LEU 59 -8.368 9.582 0.120 458 H GLU 60 H GLU 60 -4.162 9.344 -3.877 459 HA GLU 60 HA GLU 60 -5.272 7.215 -5.399 460 HB2 GLU 60 HB2 GLU 60 -4.348 9.294 -6.428 461 HB3 GLU 60 HB3 GLU 60 -2.732 8.832 -5.893 462 HG2 GLU 60 HG2 GLU 60 -3.007 6.708 -7.282 463 HG3 GLU 60 HG3 GLU 60 -4.458 7.438 -7.967 464 H LEU 61 H LEU 61 -2.047 7.705 -3.907 465 HA LEU 61 HA LEU 61 -0.828 5.277 -4.614 466 HB2 LEU 61 HB2 LEU 61 -0.342 7.112 -2.227 467 HB3 LEU 61 HB3 LEU 61 0.704 5.753 -2.612 468 HG LEU 61 HG LEU 61 0.225 8.132 -4.453 469 HD11 LEU 61 HD11 LEU 61 2.483 8.872 -3.858 470 HD12 LEU 61 HD12 LEU 61 2.619 7.567 -2.676 471 HD13 LEU 61 HD13 LEU 61 1.422 8.845 -2.452 472 HD21 LEU 61 HD21 LEU 61 2.203 5.844 -4.684 473 HD22 LEU 61 HD22 LEU 61 2.120 7.256 -5.742 474 HD23 LEU 61 HD23 LEU 61 0.780 6.117 -5.695 475 H GLU 62 H GLU 62 -2.914 6.141 -1.928 476 HA GLU 62 HA GLU 62 -2.712 3.818 -0.355 477 HB2 GLU 62 HB2 GLU 62 -3.708 5.970 0.417 478 HB3 GLU 62 HB3 GLU 62 -5.073 5.715 -0.668 479 HG2 GLU 62 HG2 GLU 62 -5.634 3.628 0.603 480 HG3 GLU 62 HG3 GLU 62 -4.326 4.003 1.725 481 H ASN 63 H ASN 63 -5.071 4.789 -2.834 482 HA ASN 63 HA ASN 63 -6.647 2.450 -2.878 483 HB2 ASN 63 HB2 ASN 63 -7.411 4.629 -3.798 484 HB3 ASN 63 HB3 ASN 63 -6.189 4.539 -5.067 485 HD21 ASN 63 HD21 ASN 63 -7.634 4.539 -6.769 486 HD22 ASN 63 HD22 ASN 63 -8.746 3.259 -7.102 487 H GLN 64 H GLN 64 -3.667 3.330 -4.533 488 HA GLN 64 HA GLN 64 -3.703 1.385 -6.588 489 HB2 GLN 64 HB2 GLN 64 -1.464 3.049 -5.373 490 HB3 GLN 64 HB3 GLN 64 -1.131 1.856 -6.626 491 HG2 GLN 64 HG2 GLN 64 -2.640 3.023 -8.170 492 HG3 GLN 64 HG3 GLN 64 -3.017 4.211 -6.923 493 HE21 GLN 64 HE21 GLN 64 -1.495 5.805 -6.434 494 HE22 GLN 64 HE22 GLN 64 -0.117 6.116 -7.423 495 H PHE 65 H PHE 65 -2.035 1.377 -3.371 496 HA PHE 65 HA PHE 65 -1.037 -1.300 -3.826 497 HB2 PHE 65 HB2 PHE 65 0.111 -1.183 -1.773 498 HB3 PHE 65 HB3 PHE 65 0.173 0.453 -2.393 499 HD1 PHE 65 HD1 PHE 65 -0.828 2.278 -1.131 500 HD2 PHE 65 HD2 PHE 65 -1.341 -1.758 0.196 501 HE1 PHE 65 HE1 PHE 65 -1.663 3.085 1.039 502 HE2 PHE 65 HE2 PHE 65 -2.185 -0.936 2.344 503 HZ PHE 65 HZ PHE 65 -2.341 1.486 2.765 504 H ASN 66 H ASN 66 -3.873 0.081 -2.268 505 HA ASN 66 HA ASN 66 -4.809 -2.184 -0.846 506 HB2 ASN 66 HB2 ASN 66 -6.219 0.215 -2.072 507 HB3 ASN 66 HB3 ASN 66 -7.170 -1.101 -1.401 508 HD21 ASN 66 HD21 ASN 66 -4.108 0.132 -0.044 509 HD22 ASN 66 HD22 ASN 66 -4.820 0.729 1.408 510 H GLU 67 H GLU 67 -5.304 -1.079 -4.171 511 HA GLU 67 HA GLU 67 -7.019 -3.177 -5.017 512 HB2 GLU 67 HB2 GLU 67 -6.883 -0.944 -6.145 513 HB3 GLU 67 HB3 GLU 67 -5.251 -1.320 -6.683 514 HG2 GLU 67 HG2 GLU 67 -6.908 -1.612 -8.485 515 HG3 GLU 67 HG3 GLU 67 -6.085 -3.124 -8.097 516 H THR 68 H THR 68 -3.514 -2.590 -5.348 517 HA THR 68 HA THR 68 -2.783 -4.806 -6.890 518 HB THR 68 HB THR 68 -1.153 -3.281 -4.802 519 HG1 THR 68 HG1 THR 68 -2.037 -2.271 -6.871 520 HG21 THR 68 HG21 THR 68 -0.150 -5.173 -6.968 521 HG22 THR 68 HG22 THR 68 -0.059 -5.452 -5.226 522 HG23 THR 68 HG23 THR 68 0.869 -4.143 -5.963 523 H ASN 69 H ASN 69 -2.937 -4.418 -3.361 524 HA ASN 69 HA ASN 69 -1.992 -6.970 -2.604 525 HB2 ASN 69 HB2 ASN 69 -1.960 -5.151 -0.992 526 HB3 ASN 69 HB3 ASN 69 -3.705 -4.937 -1.112 527 HD21 ASN 69 HD21 ASN 69 -1.264 -7.368 -0.242 528 HD22 ASN 69 HD22 ASN 69 -2.188 -8.090 1.032 529 H ARG 70 H ARG 70 -5.236 -5.681 -3.165 530 HA ARG 70 HA ARG 70 -6.853 -7.800 -2.336 531 HB2 ARG 70 HB2 ARG 70 -7.605 -5.473 -3.060 532 HB3 ARG 70 HB3 ARG 70 -7.333 -5.964 -4.727 533 HG2 ARG 70 HG2 ARG 70 -9.025 -7.962 -3.921 534 HG3 ARG 70 HG3 ARG 70 -9.569 -6.654 -2.870 535 HD2 ARG 70 HD2 ARG 70 -9.498 -6.691 -5.898 536 HD3 ARG 70 HD3 ARG 70 -10.915 -6.627 -4.852 537 HE ARG 70 HE ARG 70 -9.108 -4.439 -5.540 538 HH11 ARG 70 HH11 ARG 70 -11.897 -5.440 -3.602 539 HH12 ARG 70 HH12 ARG 70 -12.427 -3.815 -3.319 540 HH21 ARG 70 HH21 ARG 70 -9.875 -2.323 -5.238 541 HH22 ARG 70 HH22 ARG 70 -11.276 -2.055 -4.249 542 H LEU 71 H LEU 71 -5.439 -7.098 -5.515 543 HA LEU 71 HA LEU 71 -6.450 -9.314 -6.958 544 HB2 LEU 71 HB2 LEU 71 -4.025 -7.548 -7.491 545 HB3 LEU 71 HB3 LEU 71 -4.735 -8.641 -8.672 546 HG LEU 71 HG LEU 71 -6.172 -6.249 -7.449 547 HD11 LEU 71 HD11 LEU 71 -4.323 -5.479 -8.833 548 HD12 LEU 71 HD12 LEU 71 -5.867 -5.114 -9.596 549 HD13 LEU 71 HD13 LEU 71 -4.886 -6.461 -10.190 550 HD21 LEU 71 HD21 LEU 71 -7.864 -6.615 -9.170 551 HD22 LEU 71 HD22 LEU 71 -7.712 -8.016 -8.114 552 HD23 LEU 71 HD23 LEU 71 -7.008 -8.054 -9.734 553 H LEU 72 H LEU 72 -3.488 -8.804 -5.102 554 HA LEU 72 HA LEU 72 -2.083 -11.166 -5.749 555 HB2 LEU 72 HB2 LEU 72 -2.098 -9.496 -3.208 556 HB3 LEU 72 HB3 LEU 72 -1.017 -10.860 -3.436 557 HG LEU 72 HG LEU 72 -1.015 -8.357 -5.162 558 HD11 LEU 72 HD11 LEU 72 0.857 -9.177 -2.918 559 HD12 LEU 72 HD12 LEU 72 -0.326 -7.867 -2.871 560 HD13 LEU 72 HD13 LEU 72 1.048 -7.768 -3.972 561 HD21 LEU 72 HD21 LEU 72 0.892 -10.724 -5.083 562 HD22 LEU 72 HD22 LEU 72 1.110 -9.249 -6.038 563 HD23 LEU 72 HD23 LEU 72 -0.240 -10.325 -6.382 564 H HIS 73 H HIS 73 -4.434 -10.460 -3.131 565 HA HIS 73 HA HIS 73 -4.374 -13.004 -1.898 566 HB2 HIS 73 HB2 HIS 73 -6.575 -10.891 -1.917 567 HB3 HIS 73 HB3 HIS 73 -6.679 -12.372 -0.970 568 HD1 HIS 73 HD1 HIS 73 -4.452 -12.668 0.711 569 HD2 HIS 73 HD2 HIS 73 -5.556 -8.854 -0.467 570 HE1 HIS 73 HE1 HIS 73 -3.336 -11.097 2.329 571 HE2 HIS 73 HE2 HIS 73 -4.313 -8.854 1.771 572 H ILE 74 H ILE 74 -6.319 -11.718 -4.548 573 HA ILE 74 HA ILE 74 -8.176 -13.840 -4.828 574 HB ILE 74 HB ILE 74 -7.179 -11.737 -6.814 575 HG12 ILE 74 HG12 ILE 74 -9.784 -11.880 -5.223 576 HG13 ILE 74 HG13 ILE 74 -8.398 -10.884 -4.808 577 HG21 ILE 74 HG21 ILE 74 -9.149 -12.245 -8.233 578 HG22 ILE 74 HG22 ILE 74 -9.532 -13.625 -7.204 579 HG23 ILE 74 HG23 ILE 74 -8.036 -13.610 -8.138 580 HD11 ILE 74 HD11 ILE 74 -10.088 -10.583 -7.294 581 HD12 ILE 74 HD12 ILE 74 -8.695 -9.589 -6.855 582 HD13 ILE 74 HD13 ILE 74 -10.140 -9.572 -5.847 583 H LYS 75 H LYS 75 -5.035 -13.197 -6.418 584 HA LYS 75 HA LYS 75 -5.171 -15.428 -8.227 585 HB2 LYS 75 HB2 LYS 75 -3.925 -13.334 -8.719 586 HB3 LYS 75 HB3 LYS 75 -2.807 -13.684 -7.403 587 HG2 LYS 75 HG2 LYS 75 -1.983 -15.666 -8.578 588 HG3 LYS 75 HG3 LYS 75 -3.162 -15.432 -9.871 589 HD2 LYS 75 HD2 LYS 75 -0.887 -13.537 -9.164 590 HD3 LYS 75 HD3 LYS 75 -0.915 -14.654 -10.529 591 HE2 LYS 75 HE2 LYS 75 -2.796 -12.298 -10.130 592 HE3 LYS 75 HE3 LYS 75 -1.425 -12.352 -11.236 593 HZ1 LYS 75 HZ1 LYS 75 -3.506 -12.760 -12.392 594 HZ2 LYS 75 HZ2 LYS 75 -3.841 -14.082 -11.394 595 HZ3 LYS 75 HZ3 LYS 75 -2.529 -14.135 -12.452 596 H GLN 76 H GLN 76 -3.384 -14.761 -5.246 597 HA GLN 76 HA GLN 76 -1.955 -17.235 -5.127 598 HB2 GLN 76 HB2 GLN 76 -1.059 -15.173 -4.169 599 HB3 GLN 76 HB3 GLN 76 -2.432 -15.035 -3.080 600 HG2 GLN 76 HG2 GLN 76 -1.689 -16.980 -1.818 601 HG3 GLN 76 HG3 GLN 76 -0.374 -17.258 -2.966 602 HE21 GLN 76 HE21 GLN 76 -1.638 -14.870 -0.685 603 HE22 GLN 76 HE22 GLN 76 -0.106 -14.213 -0.240 604 H HIS 77 H HIS 77 -5.111 -16.195 -4.006 605 HA HIS 77 HA HIS 77 -5.717 -18.191 -2.114 606 HB2 HIS 77 HB2 HIS 77 -7.189 -16.239 -2.580 607 HB3 HIS 77 HB3 HIS 77 -7.601 -16.912 -4.150 608 HD1 HIS 77 HD1 HIS 77 -7.973 -17.727 -0.457 609 HD2 HIS 77 HD2 HIS 77 -9.796 -18.552 -4.096 610 HE1 HIS 77 HE1 HIS 77 -10.073 -18.984 0.110 611 HE2 HIS 77 HE2 HIS 77 -11.133 -19.499 -2.109 612 H GLU 78 H GLU 78 -5.951 -18.175 -5.658 613 HA GLU 78 HA GLU 78 -7.172 -20.695 -6.028 614 HB2 GLU 78 HB2 GLU 78 -5.313 -19.265 -7.983 615 HB3 GLU 78 HB3 GLU 78 -6.540 -20.468 -8.378 616 HG2 GLU 78 HG2 GLU 78 -6.996 -17.640 -7.386 617 HG3 GLU 78 HG3 GLU 78 -7.345 -18.276 -8.992 618 H GLU 79 H GLU 79 -3.857 -19.707 -5.612 619 HA GLU 79 HA GLU 79 -2.555 -22.129 -6.287 620 HB2 GLU 79 HB2 GLU 79 -1.678 -19.871 -4.443 621 HB3 GLU 79 HB3 GLU 79 -0.624 -21.160 -5.023 622 HG2 GLU 79 HG2 GLU 79 -2.024 -19.120 -6.784 623 HG3 GLU 79 HG3 GLU 79 -0.338 -19.040 -6.273 624 H VAL 80 H VAL 80 -4.060 -20.972 -3.324 625 HA VAL 80 HA VAL 80 -3.152 -23.156 -1.657 626 HB VAL 80 HB VAL 80 -5.405 -21.132 -1.170 627 HG11 VAL 80 HG11 VAL 80 -5.592 -23.080 0.316 628 HG12 VAL 80 HG12 VAL 80 -5.123 -21.642 1.223 629 HG13 VAL 80 HG13 VAL 80 -3.916 -22.870 0.834 630 HG21 VAL 80 HG21 VAL 80 -3.753 -19.825 0.139 631 HG22 VAL 80 HG22 VAL 80 -3.276 -19.966 -1.553 632 HG23 VAL 80 HG23 VAL 80 -2.479 -20.958 -0.330 633 H GLU 81 H GLU 81 -5.991 -22.385 -3.644 634 HA GLU 81 HA GLU 81 -7.737 -24.395 -2.579 635 HB2 GLU 81 HB2 GLU 81 -7.986 -22.853 -5.197 636 HB3 GLU 81 HB3 GLU 81 -9.254 -23.827 -4.457 637 HG2 GLU 81 HG2 GLU 81 -8.104 -21.213 -3.487 638 HG3 GLU 81 HG3 GLU 81 -9.759 -21.557 -3.973 639 H LYS 82 H LYS 82 -5.571 -24.285 -5.382 640 HA LYS 82 HA LYS 82 -6.519 -26.607 -6.697 641 HB2 LYS 82 HB2 LYS 82 -4.391 -26.579 -7.955 642 HB3 LYS 82 HB3 LYS 82 -5.122 -24.977 -7.874 643 HG2 LYS 82 HG2 LYS 82 -3.550 -24.256 -6.192 644 HG3 LYS 82 HG3 LYS 82 -2.894 -25.888 -6.028 645 HD2 LYS 82 HD2 LYS 82 -2.061 -25.762 -8.373 646 HD3 LYS 82 HD3 LYS 82 -2.669 -24.105 -8.486 647 HE2 LYS 82 HE2 LYS 82 -1.165 -23.442 -6.640 648 HE3 LYS 82 HE3 LYS 82 -0.551 -25.097 -6.548 649 HZ1 LYS 82 HZ1 LYS 82 0.286 -24.890 -8.771 650 HZ2 LYS 82 HZ2 LYS 82 0.888 -23.635 -7.826 651 HZ3 LYS 82 HZ3 LYS 82 -0.357 -23.333 -8.919 652 H ASP 83 H ASP 83 -4.135 -26.145 -4.131 653 HA ASP 83 HA ASP 83 -3.205 -28.874 -4.002 654 HB2 ASP 83 HB2 ASP 83 -2.950 -26.492 -2.111 655 HB3 ASP 83 HB3 ASP 83 -2.284 -28.071 -1.715 656 H LYS 84 H LYS 84 -5.618 -26.907 -2.384 657 HA LYS 84 HA LYS 84 -6.476 -28.677 -0.362 658 HB2 LYS 84 HB2 LYS 84 -6.980 -26.263 -0.379 659 HB3 LYS 84 HB3 LYS 84 -7.975 -26.453 -1.817 660 HG2 LYS 84 HG2 LYS 84 -9.552 -27.883 -0.474 661 HG3 LYS 84 HG3 LYS 84 -8.571 -27.558 0.959 662 HD2 LYS 84 HD2 LYS 84 -10.035 -25.471 -0.711 663 HD3 LYS 84 HD3 LYS 84 -10.558 -26.081 0.860 664 HE2 LYS 84 HE2 LYS 84 -8.563 -25.112 1.922 665 HE3 LYS 84 HE3 LYS 84 -7.972 -24.563 0.352 666 HZ1 LYS 84 HZ1 LYS 84 -10.507 -23.664 1.609 667 HZ2 LYS 84 HZ2 LYS 84 -9.847 -23.096 0.162 668 HZ3 LYS 84 HZ3 LYS 84 -9.056 -22.801 1.625 669 H LYS 85 H LYS 85 -7.290 -28.386 -3.770 670 HA LYS 85 HA LYS 85 -9.261 -30.604 -3.633 671 HB2 LYS 85 HB2 LYS 85 -9.136 -28.311 -5.670 672 HB3 LYS 85 HB3 LYS 85 -10.340 -29.595 -5.633 673 HG2 LYS 85 HG2 LYS 85 -9.965 -27.430 -3.541 674 HG3 LYS 85 HG3 LYS 85 -11.256 -27.503 -4.745 675 HD2 LYS 85 HD2 LYS 85 -12.109 -29.583 -3.704 676 HD3 LYS 85 HD3 LYS 85 -10.795 -29.537 -2.523 677 HE2 LYS 85 HE2 LYS 85 -11.680 -27.381 -1.662 678 HE3 LYS 85 HE3 LYS 85 -13.016 -27.489 -2.813 679 HZ1 LYS 85 HZ1 LYS 85 -13.778 -29.488 -1.735 680 HZ2 LYS 85 HZ2 LYS 85 -13.602 -28.271 -0.574 681 HZ3 LYS 85 HZ3 LYS 85 -12.445 -29.495 -0.693 682 H ALA 86 H ALA 86 -6.261 -30.699 -3.950 683 HA ALA 86 HA ALA 86 -5.614 -31.241 -6.683 684 HB1 ALA 86 HB1 ALA 86 -3.896 -30.496 -5.074 685 HB2 ALA 86 HB2 ALA 86 -3.442 -32.019 -5.841 686 HB3 ALA 86 HB3 ALA 86 -4.061 -32.015 -4.188 687 H LYS 87 H LYS 87 -7.194 -32.715 -7.329 688 HA LYS 87 HA LYS 87 -6.688 -35.551 -6.634 689 HB2 LYS 87 HB2 LYS 87 -9.351 -34.251 -7.390 690 HB3 LYS 87 HB3 LYS 87 -9.094 -35.989 -7.249 691 HG2 LYS 87 HG2 LYS 87 -8.524 -35.653 -4.832 692 HG3 LYS 87 HG3 LYS 87 -8.932 -33.941 -5.017 693 HD2 LYS 87 HD2 LYS 87 -11.250 -34.527 -5.613 694 HD3 LYS 87 HD3 LYS 87 -10.858 -36.250 -5.537 695 HE2 LYS 87 HE2 LYS 87 -10.356 -36.015 -3.127 696 HE3 LYS 87 HE3 LYS 87 -10.785 -34.304 -3.211 697 HZ1 LYS 87 HZ1 LYS 87 -12.612 -36.570 -3.789 698 HZ2 LYS 87 HZ2 LYS 87 -13.014 -34.933 -3.870 699 HZ3 LYS 87 HZ3 LYS 87 -12.617 -35.629 -2.388 700 H GLN 88 H GLN 88 -6.146 -36.752 -8.343 701 HA GLN 88 HA GLN 88 -5.659 -37.517 -10.380 702 HB2 GLN 88 HB2 GLN 88 -7.449 -35.324 -11.501 703 HB3 GLN 88 HB3 GLN 88 -6.758 -36.643 -12.447 704 HG2 GLN 88 HG2 GLN 88 -8.075 -38.286 -11.213 705 HG3 GLN 88 HG3 GLN 88 -8.655 -37.043 -10.104 706 HE21 GLN 88 HE21 GLN 88 -8.410 -36.634 -13.623 707 HE22 GLN 88 HE22 GLN 88 -10.111 -36.518 -13.896 708 H GLN 89 H GLN 89 -5.620 -33.934 -10.365 709 HA GLN 89 HA GLN 89 -3.304 -33.577 -11.939 710 HB2 GLN 89 HB2 GLN 89 -3.352 -31.270 -11.182 711 HB3 GLN 89 HB3 GLN 89 -5.003 -31.790 -11.479 712 HG2 GLN 89 HG2 GLN 89 -5.335 -32.069 -9.030 713 HG3 GLN 89 HG3 GLN 89 -3.685 -31.511 -8.756 714 HE21 GLN 89 HE21 GLN 89 -3.180 -29.296 -9.283 715 HE22 GLN 89 HE22 GLN 89 -4.412 -28.086 -9.298 716 H LYS 90 H LYS 90 -1.184 -33.572 -11.408 717 HA LYS 90 HA LYS 90 -0.342 -34.512 -8.778 718 HB2 LYS 90 HB2 LYS 90 0.596 -35.482 -10.932 719 HB3 LYS 90 HB3 LYS 90 1.374 -33.931 -11.236 720 HG2 LYS 90 HG2 LYS 90 2.652 -34.187 -9.105 721 HG3 LYS 90 HG3 LYS 90 1.911 -35.775 -8.879 722 HD2 LYS 90 HD2 LYS 90 2.952 -36.479 -11.090 723 HD3 LYS 90 HD3 LYS 90 3.799 -34.927 -11.116 724 HE2 LYS 90 HE2 LYS 90 4.072 -37.067 -8.977 725 HE3 LYS 90 HE3 LYS 90 5.248 -36.712 -10.242 726 HZ1 LYS 90 HZ1 LYS 90 5.633 -34.555 -9.283 727 HZ2 LYS 90 HZ2 LYS 90 5.811 -35.718 -8.070 728 HZ3 LYS 90 HZ3 LYS 90 4.406 -34.779 -8.144 729 H THR 91 H THR 91 -0.786 -32.701 -7.501 730 HA THR 91 HA THR 91 1.040 -30.400 -7.717 731 HB THR 91 HB THR 91 -1.999 -30.122 -7.424 732 HG1 THR 91 HG1 THR 91 -0.262 -29.905 -9.589 733 HG21 THR 91 HG21 THR 91 -0.869 -28.407 -6.071 734 HG22 THR 91 HG22 THR 91 -1.582 -27.669 -7.506 735 HG23 THR 91 HG23 THR 91 0.155 -27.968 -7.447 736 H LEU 92 H LEU 92 2.031 -30.330 -5.777 737 HA LEU 92 HA LEU 92 0.537 -30.013 -3.369 738 HB2 LEU 92 HB2 LEU 92 0.559 -32.499 -3.465 739 HB3 LEU 92 HB3 LEU 92 2.312 -32.493 -3.580 740 HG LEU 92 HG LEU 92 2.515 -31.622 -1.288 741 HD11 LEU 92 HD11 LEU 92 -0.512 -31.605 -1.160 742 HD12 LEU 92 HD12 LEU 92 0.549 -30.194 -1.175 743 HD13 LEU 92 HD13 LEU 92 0.589 -31.306 0.190 744 HD21 LEU 92 HD21 LEU 92 2.382 -34.060 -1.584 745 HD22 LEU 92 HD22 LEU 92 0.631 -34.004 -1.366 746 HD23 LEU 92 HD23 LEU 92 1.705 -33.562 -0.035 747 H LYS 93 H LYS 93 1.543 -28.458 -2.382 748 HA LYS 93 HA LYS 93 4.288 -28.637 -1.590 749 HB2 LYS 93 HB2 LYS 93 4.723 -26.142 -2.303 750 HB3 LYS 93 HB3 LYS 93 4.958 -27.437 -3.461 751 HG2 LYS 93 HG2 LYS 93 3.926 -25.586 -4.582 752 HG3 LYS 93 HG3 LYS 93 2.762 -26.908 -4.492 753 HD2 LYS 93 HD2 LYS 93 1.551 -25.780 -2.697 754 HD3 LYS 93 HD3 LYS 93 2.781 -24.516 -2.609 755 HE2 LYS 93 HE2 LYS 93 2.165 -23.669 -4.781 756 HE3 LYS 93 HE3 LYS 93 1.105 -25.049 -5.082 757 HZ1 LYS 93 HZ1 LYS 93 -0.407 -24.303 -3.449 758 HZ2 LYS 93 HZ2 LYS 93 -0.029 -22.952 -4.395 759 HZ3 LYS 93 HZ3 LYS 93 0.660 -23.132 -2.862 760 H GLN 94 H GLN 94 1.095 -27.202 -1.366 761 HA GLN 94 HA GLN 94 1.547 -25.786 1.107 762 HB2 GLN 94 HB2 GLN 94 -1.052 -26.789 -0.156 763 HB3 GLN 94 HB3 GLN 94 -0.979 -25.786 1.287 764 HG2 GLN 94 HG2 GLN 94 -0.030 -24.976 -1.478 765 HG3 GLN 94 HG3 GLN 94 -1.548 -24.487 -0.730 766 HE21 GLN 94 HE21 GLN 94 1.915 -24.035 -0.762 767 HE22 GLN 94 HE22 GLN 94 1.944 -22.629 0.240 768 H SER 95 H SER 95 2.629 -27.235 2.438 769 HA SER 95 HA SER 95 1.074 -29.525 3.515 770 HB2 SER 95 HB2 SER 95 4.102 -29.407 3.088 771 HB3 SER 95 HB3 SER 95 3.198 -30.764 3.773 772 HG SER 95 HG SER 95 2.030 -30.250 1.495 773 H ASP 96 H ASP 96 0.276 -28.362 5.211 774 HA ASP 96 HA ASP 96 2.176 -27.120 7.132 775 HB2 ASP 96 HB2 ASP 96 0.716 -25.438 6.047 776 HB3 ASP 96 HB3 ASP 96 -0.719 -26.338 6.533 777 H THR 97 H THR 97 1.746 -27.379 9.338 778 HA THR 97 HA THR 97 0.546 -29.832 10.208 779 HB THR 97 HB THR 97 1.157 -28.939 12.529 780 HG1 THR 97 HG1 THR 97 1.041 -26.627 11.565 781 HG21 THR 97 HG21 THR 97 3.614 -29.027 12.210 782 HG22 THR 97 HG22 THR 97 3.396 -28.857 10.469 783 HG23 THR 97 HG23 THR 97 2.804 -30.303 11.291 784 H LYS 98 H LYS 98 -1.619 -29.556 9.452 785 HA LYS 98 HA LYS 98 -3.314 -27.397 10.343 786 HB2 LYS 98 HB2 LYS 98 -5.139 -28.705 9.136 787 HB3 LYS 98 HB3 LYS 98 -3.764 -28.230 8.146 788 HG2 LYS 98 HG2 LYS 98 -2.847 -30.486 8.251 789 HG3 LYS 98 HG3 LYS 98 -4.145 -30.993 9.335 790 HD2 LYS 98 HD2 LYS 98 -5.799 -30.554 7.499 791 HD3 LYS 98 HD3 LYS 98 -4.459 -30.135 6.423 792 HE2 LYS 98 HE2 LYS 98 -3.531 -32.416 6.713 793 HE3 LYS 98 HE3 LYS 98 -4.892 -32.828 7.761 794 HZ1 LYS 98 HZ1 LYS 98 -5.124 -32.003 4.918 795 HZ2 LYS 98 HZ2 LYS 98 -6.392 -32.478 5.930 796 HZ3 LYS 98 HZ3 LYS 98 -5.210 -33.593 5.480 797 H VAL 99 H VAL 99 -3.419 -30.945 10.928 798 HA VAL 99 HA VAL 99 -4.536 -30.517 13.621 799 HB VAL 99 HB VAL 99 -5.636 -32.560 11.604 800 HG11 VAL 99 HG11 VAL 99 -5.576 -33.534 13.861 801 HG12 VAL 99 HG12 VAL 99 -7.240 -33.222 13.373 802 HG13 VAL 99 HG13 VAL 99 -6.442 -32.137 14.515 803 HG21 VAL 99 HG21 VAL 99 -7.786 -31.352 11.783 804 HG22 VAL 99 HG22 VAL 99 -6.508 -30.302 11.164 805 HG23 VAL 99 HG23 VAL 99 -7.033 -30.156 12.843 Start of MODEL 8 1 H2 GLY 1 H2 GLY 1 13.228 40.127 -3.490 2 H GLY 1 H1 GLY 1 14.049 39.819 -4.934 3 H3 GLY 1 H3 GLY 1 14.859 39.698 -3.457 4 HA2 GLY 1 HA2 GLY 1 15.476 41.725 -4.548 5 HA3 GLY 1 HA3 GLY 1 13.778 42.166 -4.675 6 H VAL 2 H VAL 2 12.996 43.417 -3.082 7 HA VAL 2 HA VAL 2 14.555 43.857 -0.622 8 HB VAL 2 HB VAL 2 13.178 45.872 -0.294 9 HG11 VAL 2 HG11 VAL 2 14.276 45.732 -3.125 10 HG12 VAL 2 HG12 VAL 2 15.199 46.107 -1.667 11 HG13 VAL 2 HG13 VAL 2 13.941 47.212 -2.221 12 HG21 VAL 2 HG21 VAL 2 11.712 45.115 -2.851 13 HG22 VAL 2 HG22 VAL 2 11.505 46.619 -1.950 14 HG23 VAL 2 HG23 VAL 2 11.034 45.084 -1.222 15 H GLU 3 H GLU 3 13.347 44.117 1.421 16 HA GLU 3 HA GLU 3 11.766 41.881 2.140 17 HB2 GLU 3 HB2 GLU 3 13.248 43.091 3.724 18 HB3 GLU 3 HB3 GLU 3 12.221 44.518 3.614 19 HG2 GLU 3 HG2 GLU 3 10.339 43.138 4.590 20 HG3 GLU 3 HG3 GLU 3 11.497 41.829 4.835 21 H LYS 4 H LYS 4 9.547 41.795 2.776 22 HA LYS 4 HA LYS 4 7.743 43.972 1.871 23 HB2 LYS 4 HB2 LYS 4 7.239 40.988 1.426 24 HB3 LYS 4 HB3 LYS 4 6.212 42.322 0.890 25 HG2 LYS 4 HG2 LYS 4 8.010 43.082 -0.633 26 HG3 LYS 4 HG3 LYS 4 9.031 41.738 -0.105 27 HD2 LYS 4 HD2 LYS 4 7.219 40.169 -0.967 28 HD3 LYS 4 HD3 LYS 4 6.412 41.588 -1.644 29 HE2 LYS 4 HE2 LYS 4 9.195 40.596 -2.369 30 HE3 LYS 4 HE3 LYS 4 7.747 40.451 -3.366 31 HZ1 LYS 4 HZ1 LYS 4 9.110 42.273 -4.094 32 HZ2 LYS 4 HZ2 LYS 4 9.066 42.990 -2.565 33 HZ3 LYS 4 HZ3 LYS 4 7.653 42.872 -3.482 34 H THR 5 H THR 5 5.894 44.242 3.106 35 HA THR 5 HA THR 5 5.917 43.289 5.827 36 HB THR 5 HB THR 5 3.734 44.903 4.423 37 HG1 THR 5 HG1 THR 5 5.672 46.013 4.256 38 HG21 THR 5 HG21 THR 5 3.154 45.705 6.673 39 HG22 THR 5 HG22 THR 5 4.444 44.734 7.383 40 HG23 THR 5 HG23 THR 5 3.056 43.942 6.632 41 H ALA 6 H ALA 6 5.423 41.133 5.995 42 HA ALA 6 HA ALA 6 3.190 39.828 4.730 43 HB1 ALA 6 HB1 ALA 6 3.637 37.999 6.364 44 HB2 ALA 6 HB2 ALA 6 4.790 39.036 7.206 45 HB3 ALA 6 HB3 ALA 6 5.116 38.519 5.552 46 H GLY 7 H GLY 7 1.098 39.551 5.550 47 HA2 GLY 7 HA2 GLY 7 0.163 41.562 7.442 48 HA3 GLY 7 HA3 GLY 7 -0.815 40.517 6.423 49 H GLU 8 H GLU 8 1.644 39.900 8.918 50 HA GLU 8 HA GLU 8 1.828 38.559 10.658 51 HB2 GLU 8 HB2 GLU 8 0.197 40.167 11.624 52 HB3 GLU 8 HB3 GLU 8 -1.122 39.116 11.116 53 HG2 GLU 8 HG2 GLU 8 -0.325 37.343 12.617 54 HG3 GLU 8 HG3 GLU 8 1.061 38.330 13.073 55 H THR 9 H THR 9 2.357 36.585 9.962 56 HA THR 9 HA THR 9 0.225 34.545 9.852 57 HB THR 9 HB THR 9 0.805 34.946 7.519 58 HG1 THR 9 HG1 THR 9 1.456 32.823 6.974 59 HG21 THR 9 HG21 THR 9 3.708 34.359 8.226 60 HG22 THR 9 HG22 THR 9 3.057 35.935 7.768 61 HG23 THR 9 HG23 THR 9 3.064 34.613 6.600 62 H SER 10 H SER 10 0.609 32.840 11.094 63 HA SER 10 HA SER 10 3.306 32.352 12.232 64 HB2 SER 10 HB2 SER 10 2.038 31.293 14.160 65 HB3 SER 10 HB3 SER 10 1.777 33.028 13.989 66 HG SER 10 HG SER 10 -0.254 32.683 13.572 67 H ALA 11 H ALA 11 0.289 30.838 11.145 68 HA ALA 11 HA ALA 11 1.437 28.198 10.871 69 HB1 ALA 11 HB1 ALA 11 -0.952 28.459 11.410 70 HB2 ALA 11 HB2 ALA 11 -0.751 27.610 9.878 71 HB3 ALA 11 HB3 ALA 11 -1.218 29.313 9.889 72 H THR 12 H THR 12 2.875 27.849 9.277 73 HA THR 12 HA THR 12 2.934 29.305 6.774 74 HB THR 12 HB THR 12 4.795 27.705 6.183 75 HG1 THR 12 HG1 THR 12 5.084 25.953 7.312 76 HG21 THR 12 HG21 THR 12 6.406 28.466 7.897 77 HG22 THR 12 HG22 THR 12 5.077 28.954 8.951 78 HG23 THR 12 HG23 THR 12 5.339 29.786 7.415 79 H ASP 13 H ASP 13 3.164 27.879 4.710 80 HA ASP 13 HA ASP 13 0.687 26.736 4.068 81 HB2 ASP 13 HB2 ASP 13 2.173 27.704 2.363 82 HB3 ASP 13 HB3 ASP 13 3.391 26.474 2.687 83 H THR 14 H THR 14 -0.112 24.875 4.758 84 HA THR 14 HA THR 14 -0.487 22.718 5.269 85 HB THR 14 HB THR 14 2.337 22.015 4.330 86 HG1 THR 14 HG1 THR 14 1.445 23.158 2.669 87 HG21 THR 14 HG21 THR 14 -0.240 20.393 4.208 88 HG22 THR 14 HG22 THR 14 1.067 20.134 5.364 89 HG23 THR 14 HG23 THR 14 1.348 19.863 3.644 90 H GLY 15 H GLY 15 1.309 24.698 6.970 91 HA2 GLY 15 HA2 GLY 15 3.159 23.304 8.522 92 HA3 GLY 15 HA3 GLY 15 2.379 24.805 8.981 93 H LYS 16 H LYS 16 -0.251 23.975 9.236 94 HA LYS 16 HA LYS 16 -0.255 22.571 11.746 95 HB2 LYS 16 HB2 LYS 16 -2.545 23.565 9.998 96 HB3 LYS 16 HB3 LYS 16 -2.747 22.844 11.597 97 HG2 LYS 16 HG2 LYS 16 -1.325 24.682 12.537 98 HG3 LYS 16 HG3 LYS 16 -1.322 25.439 10.936 99 HD2 LYS 16 HD2 LYS 16 -3.766 25.665 11.016 100 HD3 LYS 16 HD3 LYS 16 -3.823 24.813 12.560 101 HE2 LYS 16 HE2 LYS 16 -2.529 26.662 13.595 102 HE3 LYS 16 HE3 LYS 16 -2.521 27.505 12.047 103 HZ1 LYS 16 HZ1 LYS 16 -4.225 28.295 13.602 104 HZ2 LYS 16 HZ2 LYS 16 -4.981 26.785 13.531 105 HZ3 LYS 16 HZ3 LYS 16 -4.867 27.739 12.143 106 H ARG 17 H ARG 17 -1.086 21.835 8.404 107 HA ARG 17 HA ARG 17 -2.631 19.522 8.832 108 HB2 ARG 17 HB2 ARG 17 -1.045 20.349 6.377 109 HB3 ARG 17 HB3 ARG 17 -2.190 19.007 6.415 110 HG2 ARG 17 HG2 ARG 17 -3.929 20.787 7.159 111 HG3 ARG 17 HG3 ARG 17 -2.750 21.979 6.591 112 HD2 ARG 17 HD2 ARG 17 -4.396 21.454 4.834 113 HD3 ARG 17 HD3 ARG 17 -2.784 20.909 4.351 114 HE ARG 17 HE ARG 17 -4.277 18.850 5.676 115 HH11 ARG 17 HH11 ARG 17 -3.888 20.374 2.520 116 HH12 ARG 17 HH12 ARG 17 -4.462 18.980 1.661 117 HH21 ARG 17 HH21 ARG 17 -5.028 17.073 4.543 118 HH22 ARG 17 HH22 ARG 17 -5.109 17.106 2.809 119 H GLU 18 H GLU 18 0.844 19.990 8.606 120 HA GLU 18 HA GLU 18 1.723 17.478 7.827 121 HB2 GLU 18 HB2 GLU 18 3.027 19.613 9.522 122 HB3 GLU 18 HB3 GLU 18 3.882 18.128 9.113 123 HG2 GLU 18 HG2 GLU 18 2.746 20.086 7.077 124 HG3 GLU 18 HG3 GLU 18 4.427 20.059 7.619 125 H LYS 19 H LYS 19 0.655 18.462 11.063 126 HA LYS 19 HA LYS 19 1.530 16.233 12.520 127 HB2 LYS 19 HB2 LYS 19 -0.794 18.127 12.830 128 HB3 LYS 19 HB3 LYS 19 -0.748 16.695 13.844 129 HG2 LYS 19 HG2 LYS 19 1.661 18.513 13.762 130 HG3 LYS 19 HG3 LYS 19 0.253 18.979 14.709 131 HD2 LYS 19 HD2 LYS 19 1.741 17.876 16.228 132 HD3 LYS 19 HD3 LYS 19 0.433 16.740 15.916 133 HE2 LYS 19 HE2 LYS 19 1.913 15.508 14.333 134 HE3 LYS 19 HE3 LYS 19 3.207 16.657 14.672 135 HZ1 LYS 19 HZ1 LYS 19 1.933 14.905 16.691 136 HZ2 LYS 19 HZ2 LYS 19 3.253 15.929 16.938 137 HZ3 LYS 19 HZ3 LYS 19 3.401 14.588 15.920 138 H GLN 20 H GLN 20 -1.483 16.701 10.702 139 HA GLN 20 HA GLN 20 -2.483 14.027 11.159 140 HB2 GLN 20 HB2 GLN 20 -3.404 16.090 9.107 141 HB3 GLN 20 HB3 GLN 20 -4.316 14.690 9.682 142 HG2 GLN 20 HG2 GLN 20 -4.462 15.689 11.918 143 HG3 GLN 20 HG3 GLN 20 -3.490 17.059 11.383 144 HE21 GLN 20 HE21 GLN 20 -6.211 17.019 12.479 145 HE22 GLN 20 HE22 GLN 20 -7.216 17.769 11.289 146 H LEU 21 H LEU 21 -0.620 15.645 8.696 147 HA LEU 21 HA LEU 21 -1.258 13.892 6.523 148 HB2 LEU 21 HB2 LEU 21 -0.693 16.452 6.497 149 HB3 LEU 21 HB3 LEU 21 0.977 15.930 6.517 150 HG LEU 21 HG LEU 21 -0.973 15.065 4.346 151 HD11 LEU 21 HD11 LEU 21 0.908 17.434 4.246 152 HD12 LEU 21 HD12 LEU 21 -0.853 17.509 4.336 153 HD13 LEU 21 HD13 LEU 21 -0.076 16.824 2.911 154 HD21 LEU 21 HD21 LEU 21 2.069 15.106 4.383 155 HD22 LEU 21 HD22 LEU 21 1.061 14.618 3.016 156 HD23 LEU 21 HD23 LEU 21 1.045 13.670 4.499 157 H GLN 22 H GLN 22 1.651 14.536 8.502 158 HA GLN 22 HA GLN 22 3.271 12.528 7.293 159 HB2 GLN 22 HB2 GLN 22 3.580 13.858 10.007 160 HB3 GLN 22 HB3 GLN 22 4.811 12.860 9.236 161 HG2 GLN 22 HG2 GLN 22 5.064 14.491 7.444 162 HG3 GLN 22 HG3 GLN 22 3.728 15.453 8.080 163 HE21 GLN 22 HE21 GLN 22 6.438 16.335 7.612 164 HE22 GLN 22 HE22 GLN 22 7.089 16.828 9.132 165 H GLN 23 H GLN 23 1.042 12.511 10.059 166 HA GLN 23 HA GLN 23 1.610 9.840 10.918 167 HB2 GLN 23 HB2 GLN 23 -0.839 11.592 11.321 168 HB3 GLN 23 HB3 GLN 23 -0.694 9.977 12.015 169 HG2 GLN 23 HG2 GLN 23 1.275 10.680 13.296 170 HG3 GLN 23 HG3 GLN 23 1.186 12.291 12.580 171 HE21 GLN 23 HE21 GLN 23 0.935 13.315 14.583 172 HE22 GLN 23 HE22 GLN 23 -0.507 13.188 15.528 173 H TRP 24 H TRP 24 -0.615 11.254 8.564 174 HA TRP 24 HA TRP 24 -2.022 8.911 7.819 175 HB2 TRP 24 HB2 TRP 24 -2.783 11.196 7.224 176 HB3 TRP 24 HB3 TRP 24 -1.390 11.402 6.172 177 HD1 TRP 24 HD1 TRP 24 -3.267 8.069 5.940 178 HE1 TRP 24 HE1 TRP 24 -4.538 7.986 3.713 179 HE3 TRP 24 HE3 TRP 24 -2.626 12.914 4.483 180 HZ2 TRP 24 HZ2 TRP 24 -5.215 9.740 1.628 181 HZ3 TRP 24 HZ3 TRP 24 -3.643 13.645 2.368 182 HH2 TRP 24 HH2 TRP 24 -4.913 12.088 0.968 183 H LYS 25 H LYS 25 1.003 10.384 6.673 184 HA LYS 25 HA LYS 25 1.700 8.610 4.649 185 HB2 LYS 25 HB2 LYS 25 3.458 10.095 6.627 186 HB3 LYS 25 HB3 LYS 25 4.101 9.166 5.273 187 HG2 LYS 25 HG2 LYS 25 2.891 10.658 3.702 188 HG3 LYS 25 HG3 LYS 25 2.316 11.613 5.083 189 HD2 LYS 25 HD2 LYS 25 4.616 12.196 5.699 190 HD3 LYS 25 HD3 LYS 25 5.261 11.135 4.441 191 HE2 LYS 25 HE2 LYS 25 4.176 12.595 2.731 192 HE3 LYS 25 HE3 LYS 25 3.672 13.683 4.027 193 HZ1 LYS 25 HZ1 LYS 25 5.958 14.068 4.567 194 HZ2 LYS 25 HZ2 LYS 25 5.707 14.398 2.930 195 HZ3 LYS 25 HZ3 LYS 25 6.475 12.969 3.396 196 H ASN 26 H ASN 26 2.400 8.507 8.134 197 HA ASN 26 HA ASN 26 3.811 6.095 8.248 198 HB2 ASN 26 HB2 ASN 26 2.083 7.434 10.359 199 HB3 ASN 26 HB3 ASN 26 3.180 6.095 10.692 200 HD21 ASN 26 HD21 ASN 26 3.168 8.837 11.741 201 HD22 ASN 26 HD22 ASN 26 4.716 9.498 11.356 202 H ASN 27 H ASN 27 0.320 6.717 8.297 203 HA ASN 27 HA ASN 27 -0.512 4.084 9.017 204 HB2 ASN 27 HB2 ASN 27 -1.956 6.423 7.706 205 HB3 ASN 27 HB3 ASN 27 -2.755 4.877 7.962 206 HD21 ASN 27 HD21 ASN 27 -0.447 6.256 10.274 207 HD22 ASN 27 HD22 ASN 27 -1.621 6.586 11.488 208 H LEU 28 H LEU 28 -0.267 5.777 5.867 209 HA LEU 28 HA LEU 28 -1.145 3.629 4.257 210 HB2 LEU 28 HB2 LEU 28 0.620 5.996 3.555 211 HB3 LEU 28 HB3 LEU 28 -0.082 4.903 2.369 212 HG LEU 28 HG LEU 28 -1.621 6.773 4.215 213 HD11 LEU 28 HD11 LEU 28 -1.222 6.914 1.215 214 HD12 LEU 28 HD12 LEU 28 -0.473 7.969 2.417 215 HD13 LEU 28 HD13 LEU 28 -2.221 7.998 2.193 216 HD21 LEU 28 HD21 LEU 28 -2.689 4.878 2.096 217 HD22 LEU 28 HD22 LEU 28 -3.636 6.082 2.978 218 HD23 LEU 28 HD23 LEU 28 -2.906 4.731 3.843 219 H LYS 29 H LYS 29 2.094 4.649 5.267 220 HA LYS 29 HA LYS 29 3.676 2.891 3.752 221 HB2 LYS 29 HB2 LYS 29 4.146 4.332 6.377 222 HB3 LYS 29 HB3 LYS 29 5.390 3.315 5.656 223 HG2 LYS 29 HG2 LYS 29 5.685 4.763 3.808 224 HG3 LYS 29 HG3 LYS 29 4.151 5.588 4.089 225 HD2 LYS 29 HD2 LYS 29 6.090 6.997 4.715 226 HD3 LYS 29 HD3 LYS 29 5.042 6.667 6.095 227 HE2 LYS 29 HE2 LYS 29 7.380 6.504 6.763 228 HE3 LYS 29 HE3 LYS 29 6.643 4.905 6.847 229 HZ1 LYS 29 HZ1 LYS 29 7.676 4.320 4.778 230 HZ2 LYS 29 HZ2 LYS 29 8.861 4.899 5.831 231 HZ3 LYS 29 HZ3 LYS 29 8.290 5.883 4.581 232 H ASN 30 H ASN 30 2.313 2.602 7.036 233 HA ASN 30 HA ASN 30 3.360 0.058 7.683 234 HB2 ASN 30 HB2 ASN 30 1.027 1.659 8.760 235 HB3 ASN 30 HB3 ASN 30 1.302 0.012 9.324 236 HD21 ASN 30 HD21 ASN 30 1.639 0.884 11.439 237 HD22 ASN 30 HD22 ASN 30 3.136 1.642 11.846 238 H ASP 31 H ASP 31 0.272 1.038 6.191 239 HA ASP 31 HA ASP 31 -0.878 -1.551 6.079 240 HB2 ASP 31 HB2 ASP 31 -1.485 1.018 4.590 241 HB3 ASP 31 HB3 ASP 31 -2.362 -0.466 4.234 242 H VAL 32 H VAL 32 0.970 0.305 3.680 243 HA VAL 32 HA VAL 32 1.040 -1.518 1.556 244 HB VAL 32 HB VAL 32 3.067 0.588 2.449 245 HG11 VAL 32 HG11 VAL 32 4.297 -1.091 1.139 246 HG12 VAL 32 HG12 VAL 32 4.138 0.406 0.221 247 HG13 VAL 32 HG13 VAL 32 3.106 -0.975 -0.160 248 HG21 VAL 32 HG21 VAL 32 0.864 1.453 1.682 249 HG22 VAL 32 HG22 VAL 32 1.071 0.615 0.143 250 HG23 VAL 32 HG23 VAL 32 2.164 1.930 0.586 251 H ASP 33 H ASP 33 3.006 -1.266 4.476 252 HA ASP 33 HA ASP 33 4.929 -3.290 3.816 253 HB2 ASP 33 HB2 ASP 33 5.438 -1.433 5.369 254 HB3 ASP 33 HB3 ASP 33 4.191 -1.999 6.480 255 H ASN 34 H ASN 34 1.858 -3.248 5.543 256 HA ASN 34 HA ASN 34 2.191 -5.939 6.635 257 HB2 ASN 34 HB2 ASN 34 -0.005 -3.873 7.021 258 HB3 ASN 34 HB3 ASN 34 0.027 -5.441 7.828 259 HD21 ASN 34 HD21 ASN 34 0.095 -2.735 8.935 260 HD22 ASN 34 HD22 ASN 34 1.515 -2.646 9.912 261 H THR 35 H THR 35 0.856 -4.542 3.822 262 HA THR 35 HA THR 35 -1.031 -6.675 3.282 263 HB THR 35 HB THR 35 -0.900 -5.748 0.865 264 HG1 THR 35 HG1 THR 35 0.411 -3.577 2.143 265 HG21 THR 35 HG21 THR 35 -2.271 -3.764 1.362 266 HG22 THR 35 HG22 THR 35 -1.784 -3.839 3.057 267 HG23 THR 35 HG23 THR 35 -2.757 -5.138 2.360 268 H ILE 36 H ILE 36 -0.662 -7.966 1.172 269 HA ILE 36 HA ILE 36 1.824 -9.479 1.561 270 HB ILE 36 HB ILE 36 0.755 -11.219 0.159 271 HG12 ILE 36 HG12 ILE 36 -1.687 -9.381 0.016 272 HG13 ILE 36 HG13 ILE 36 -0.559 -9.617 -1.315 273 HG21 ILE 36 HG21 ILE 36 -1.112 -10.216 2.344 274 HG22 ILE 36 HG22 ILE 36 0.324 -11.212 2.596 275 HG23 ILE 36 HG23 ILE 36 -1.051 -11.859 1.700 276 HD11 ILE 36 HD11 ILE 36 -1.149 -11.968 -1.425 277 HD12 ILE 36 HD12 ILE 36 -2.570 -10.935 -1.572 278 HD13 ILE 36 HD13 ILE 36 -2.247 -11.768 -0.055 279 H LEU 37 H LEU 37 1.787 -6.834 0.041 280 HA LEU 37 HA LEU 37 2.108 -7.251 -2.743 281 HB2 LEU 37 HB2 LEU 37 3.528 -5.083 -1.160 282 HB3 LEU 37 HB3 LEU 37 3.075 -5.043 -2.856 283 HG LEU 37 HG LEU 37 1.214 -4.843 -0.463 284 HD11 LEU 37 HD11 LEU 37 2.473 -2.808 -0.861 285 HD12 LEU 37 HD12 LEU 37 0.776 -2.569 -1.264 286 HD13 LEU 37 HD13 LEU 37 1.965 -2.785 -2.554 287 HD21 LEU 37 HD21 LEU 37 -0.619 -4.438 -2.075 288 HD22 LEU 37 HD22 LEU 37 0.041 -6.065 -2.201 289 HD23 LEU 37 HD23 LEU 37 0.474 -4.849 -3.406 290 H SER 38 H SER 38 4.124 -7.214 -4.009 291 HA SER 38 HA SER 38 6.271 -8.789 -2.984 292 HB2 SER 38 HB2 SER 38 5.713 -8.680 -5.423 293 HB3 SER 38 HB3 SER 38 6.265 -7.003 -5.468 294 HG SER 38 HG SER 38 8.195 -7.779 -5.749 295 H HIS 39 H HIS 39 8.457 -8.102 -2.525 296 HA HIS 39 HA HIS 39 8.671 -6.054 -0.662 297 HB2 HIS 39 HB2 HIS 39 10.228 -7.963 -0.795 298 HB3 HIS 39 HB3 HIS 39 10.873 -7.365 -2.317 299 HD1 HIS 39 HD1 HIS 39 11.161 -6.970 1.366 300 HD2 HIS 39 HD2 HIS 39 12.637 -5.118 -2.053 301 HE1 HIS 39 HE1 HIS 39 13.039 -5.503 2.140 302 HE2 HIS 39 HE2 HIS 39 14.036 -4.553 0.039 303 H GLU 40 H GLU 40 9.358 -5.991 -4.105 304 HA GLU 40 HA GLU 40 10.679 -3.478 -4.211 305 HB2 GLU 40 HB2 GLU 40 9.276 -5.094 -6.375 306 HB3 GLU 40 HB3 GLU 40 10.234 -3.654 -6.688 307 HG2 GLU 40 HG2 GLU 40 11.541 -5.649 -7.190 308 HG3 GLU 40 HG3 GLU 40 12.253 -4.766 -5.843 309 H GLN 41 H GLN 41 7.324 -4.514 -4.859 310 HA GLN 41 HA GLN 41 6.231 -2.048 -5.656 311 HB2 GLN 41 HB2 GLN 41 4.755 -4.238 -4.121 312 HB3 GLN 41 HB3 GLN 41 4.035 -2.995 -5.151 313 HG2 GLN 41 HG2 GLN 41 5.235 -4.011 -7.107 314 HG3 GLN 41 HG3 GLN 41 5.792 -5.302 -6.043 315 HE21 GLN 41 HE21 GLN 41 3.046 -3.930 -7.686 316 HE22 GLN 41 HE22 GLN 41 1.994 -5.282 -7.478 317 H LYS 42 H LYS 42 6.561 -3.551 -2.473 318 HA LYS 42 HA LYS 42 5.254 -1.651 -0.901 319 HB2 LYS 42 HB2 LYS 42 7.528 -3.553 -0.240 320 HB3 LYS 42 HB3 LYS 42 6.731 -2.552 0.974 321 HG2 LYS 42 HG2 LYS 42 4.570 -3.647 0.397 322 HG3 LYS 42 HG3 LYS 42 5.443 -4.711 -0.714 323 HD2 LYS 42 HD2 LYS 42 6.713 -5.680 1.155 324 HD3 LYS 42 HD3 LYS 42 5.981 -4.535 2.287 325 HE2 LYS 42 HE2 LYS 42 3.769 -5.524 1.868 326 HE3 LYS 42 HE3 LYS 42 4.474 -6.646 0.709 327 HZ1 LYS 42 HZ1 LYS 42 5.101 -6.541 3.604 328 HZ2 LYS 42 HZ2 LYS 42 5.736 -7.644 2.487 329 HZ3 LYS 42 HZ3 LYS 42 4.084 -7.664 2.851 330 H ASN 43 H ASN 43 8.712 -1.995 -1.671 331 HA ASN 43 HA ASN 43 9.689 0.174 -0.219 332 HB2 ASN 43 HB2 ASN 43 10.769 -1.304 -2.647 333 HB3 ASN 43 HB3 ASN 43 11.653 0.045 -1.943 334 HD21 ASN 43 HD21 ASN 43 13.397 -1.289 -1.380 335 HD22 ASN 43 HD22 ASN 43 13.305 -2.417 -0.078 336 H GLU 44 H GLU 44 8.540 0.011 -3.589 337 HA GLU 44 HA GLU 44 9.176 2.630 -4.369 338 HB2 GLU 44 HB2 GLU 44 7.382 0.497 -5.457 339 HB3 GLU 44 HB3 GLU 44 7.023 2.132 -5.975 340 HG2 GLU 44 HG2 GLU 44 8.428 1.221 -7.649 341 HG3 GLU 44 HG3 GLU 44 9.407 2.363 -6.740 342 H PHE 45 H PHE 45 6.036 1.347 -3.106 343 HA PHE 45 HA PHE 45 4.642 3.794 -3.163 344 HB2 PHE 45 HB2 PHE 45 4.238 1.357 -1.393 345 HB3 PHE 45 HB3 PHE 45 3.157 2.746 -1.347 346 HD1 PHE 45 HD1 PHE 45 2.584 3.496 -3.997 347 HD2 PHE 45 HD2 PHE 45 3.235 -0.463 -2.500 348 HE1 PHE 45 HE1 PHE 45 1.227 2.576 -5.817 349 HE2 PHE 45 HE2 PHE 45 1.886 -1.374 -4.333 350 HZ PHE 45 HZ PHE 45 0.875 0.141 -5.993 351 H LYS 46 H LYS 46 6.420 2.254 -0.480 352 HA LYS 46 HA LYS 46 5.833 3.960 1.607 353 HB2 LYS 46 HB2 LYS 46 8.414 2.456 1.052 354 HB3 LYS 46 HB3 LYS 46 8.027 3.205 2.601 355 HG2 LYS 46 HG2 LYS 46 6.213 1.673 2.985 356 HG3 LYS 46 HG3 LYS 46 6.316 1.042 1.336 357 HD2 LYS 46 HD2 LYS 46 8.589 0.144 1.826 358 HD3 LYS 46 HD3 LYS 46 8.470 0.760 3.477 359 HE2 LYS 46 HE2 LYS 46 6.518 -0.724 3.845 360 HE3 LYS 46 HE3 LYS 46 6.714 -1.378 2.224 361 HZ1 LYS 46 HZ1 LYS 46 7.700 -2.789 3.943 362 HZ2 LYS 46 HZ2 LYS 46 8.737 -1.531 4.393 363 HZ3 LYS 46 HZ3 LYS 46 8.866 -2.220 2.857 364 H THR 47 H THR 47 8.583 4.174 -0.663 365 HA THR 47 HA THR 47 9.813 6.476 0.372 366 HB THR 47 HB THR 47 9.860 5.455 -2.504 367 HG1 THR 47 HG1 THR 47 10.815 3.818 -1.577 368 HG21 THR 47 HG21 THR 47 11.881 7.185 -1.013 369 HG22 THR 47 HG22 THR 47 10.801 7.749 -2.290 370 HG23 THR 47 HG23 THR 47 12.054 6.567 -2.663 371 H LYS 48 H LYS 48 7.433 6.070 -2.265 372 HA LYS 48 HA LYS 48 7.328 8.782 -3.094 373 HB2 LYS 48 HB2 LYS 48 5.284 6.550 -3.468 374 HB3 LYS 48 HB3 LYS 48 5.245 8.102 -4.313 375 HG2 LYS 48 HG2 LYS 48 7.382 7.610 -5.378 376 HG3 LYS 48 HG3 LYS 48 7.509 6.100 -4.472 377 HD2 LYS 48 HD2 LYS 48 5.437 5.283 -5.644 378 HD3 LYS 48 HD3 LYS 48 5.447 6.763 -6.614 379 HE2 LYS 48 HE2 LYS 48 7.713 6.145 -7.456 380 HE3 LYS 48 HE3 LYS 48 7.625 4.639 -6.542 381 HZ1 LYS 48 HZ1 LYS 48 5.842 5.462 -8.765 382 HZ2 LYS 48 HZ2 LYS 48 5.686 4.039 -7.868 383 HZ3 LYS 48 HZ3 LYS 48 7.052 4.283 -8.826 384 H ILE 49 H ILE 49 5.586 6.992 -0.631 385 HA ILE 49 HA ILE 49 3.488 8.829 -0.133 386 HB ILE 49 HB ILE 49 4.733 6.662 1.611 387 HG12 ILE 49 HG12 ILE 49 2.036 6.665 0.178 388 HG13 ILE 49 HG13 ILE 49 3.496 5.972 -0.510 389 HG21 ILE 49 HG21 ILE 49 2.750 6.823 3.088 390 HG22 ILE 49 HG22 ILE 49 2.191 8.231 2.179 391 HG23 ILE 49 HG23 ILE 49 3.694 8.311 3.100 392 HD11 ILE 49 HD11 ILE 49 3.590 4.329 1.288 393 HD12 ILE 49 HD12 ILE 49 2.039 4.276 0.450 394 HD13 ILE 49 HD13 ILE 49 2.157 5.043 2.033 395 H ASP 50 H ASP 50 6.788 8.455 1.174 396 HA ASP 50 HA ASP 50 6.632 10.603 3.063 397 HB2 ASP 50 HB2 ASP 50 9.042 9.228 1.812 398 HB3 ASP 50 HB3 ASP 50 9.168 10.454 3.070 399 H GLU 51 H GLU 51 7.586 10.378 -0.340 400 HA GLU 51 HA GLU 51 8.721 13.020 -0.517 401 HB2 GLU 51 HB2 GLU 51 7.706 11.154 -2.707 402 HB3 GLU 51 HB3 GLU 51 8.651 12.619 -2.986 403 HG2 GLU 51 HG2 GLU 51 9.576 10.102 -1.560 404 HG3 GLU 51 HG3 GLU 51 10.054 10.634 -3.171 405 H THR 52 H THR 52 5.524 11.665 -0.813 406 HA THR 52 HA THR 52 4.419 14.024 -2.165 407 HB THR 52 HB THR 52 3.146 11.330 -1.502 408 HG1 THR 52 HG1 THR 52 4.884 11.515 -3.171 409 HG21 THR 52 HG21 THR 52 1.418 13.086 -1.638 410 HG22 THR 52 HG22 THR 52 1.332 12.027 -3.049 411 HG23 THR 52 HG23 THR 52 2.072 13.623 -3.187 412 H ASN 53 H ASN 53 3.797 15.619 -0.900 413 HA ASN 53 HA ASN 53 2.368 15.102 1.643 414 HB2 ASN 53 HB2 ASN 53 3.884 17.557 0.645 415 HB3 ASN 53 HB3 ASN 53 2.817 17.610 2.042 416 HD21 ASN 53 HD21 ASN 53 3.446 16.625 3.958 417 HD22 ASN 53 HD22 ASN 53 5.072 16.116 4.234 418 H ASP 54 H ASP 54 1.573 15.201 -1.399 419 HA ASP 54 HA ASP 54 -0.682 17.064 -1.245 420 HB2 ASP 54 HB2 ASP 54 0.643 16.889 -3.376 421 HB3 ASP 54 HB3 ASP 54 0.145 15.209 -3.534 422 H SER 55 H SER 55 -2.717 16.416 -0.810 423 HA SER 55 HA SER 55 -3.159 13.938 0.461 424 HB2 SER 55 HB2 SER 55 -5.203 15.995 -0.475 425 HB3 SER 55 HB3 SER 55 -5.488 14.718 0.718 426 HG SER 55 HG SER 55 -3.328 16.039 1.467 427 H ASP 56 H ASP 56 -4.130 15.154 -2.739 428 HA ASP 56 HA ASP 56 -5.914 13.035 -3.391 429 HB2 ASP 56 HB2 ASP 56 -4.508 15.070 -5.176 430 HB3 ASP 56 HB3 ASP 56 -5.798 14.000 -5.722 431 H ALA 57 H ALA 57 -2.485 13.622 -4.056 432 HA ALA 57 HA ALA 57 -2.092 11.340 -5.760 433 HB1 ALA 57 HB1 ALA 57 0.314 11.885 -5.557 434 HB2 ALA 57 HB2 ALA 57 -0.061 13.070 -4.305 435 HB3 ALA 57 HB3 ALA 57 -0.644 13.316 -5.951 436 H LEU 58 H LEU 58 -1.794 11.937 -2.253 437 HA LEU 58 HA LEU 58 -0.675 9.391 -1.577 438 HB2 LEU 58 HB2 LEU 58 -2.199 11.473 0.015 439 HB3 LEU 58 HB3 LEU 58 -1.732 9.944 0.744 440 HG LEU 58 HG LEU 58 0.222 11.971 -0.418 441 HD11 LEU 58 HD11 LEU 58 -0.832 12.865 1.594 442 HD12 LEU 58 HD12 LEU 58 0.857 12.460 1.898 443 HD13 LEU 58 HD13 LEU 58 -0.425 11.394 2.485 444 HD21 LEU 58 HD21 LEU 58 1.959 10.596 0.656 445 HD22 LEU 58 HD22 LEU 58 1.073 9.677 -0.557 446 HD23 LEU 58 HD23 LEU 58 0.732 9.425 1.158 447 H LEU 59 H LEU 59 -3.979 10.578 -2.039 448 HA LEU 59 HA LEU 59 -5.404 8.248 -1.241 449 HB2 LEU 59 HB2 LEU 59 -6.108 10.487 -3.171 450 HB3 LEU 59 HB3 LEU 59 -7.236 9.205 -2.755 451 HG LEU 59 HG LEU 59 -6.054 11.156 -0.739 452 HD11 LEU 59 HD11 LEU 59 -8.230 12.264 -0.722 453 HD12 LEU 59 HD12 LEU 59 -8.797 11.211 -2.022 454 HD13 LEU 59 HD13 LEU 59 -7.483 12.355 -2.316 455 HD21 LEU 59 HD21 LEU 59 -6.704 9.021 0.277 456 HD22 LEU 59 HD22 LEU 59 -8.309 9.137 -0.454 457 HD23 LEU 59 HD23 LEU 59 -7.804 10.304 0.772 458 H GLU 60 H GLU 60 -3.801 9.214 -4.224 459 HA GLU 60 HA GLU 60 -4.814 7.118 -5.891 460 HB2 GLU 60 HB2 GLU 60 -3.959 9.241 -6.815 461 HB3 GLU 60 HB3 GLU 60 -2.354 8.881 -6.184 462 HG2 GLU 60 HG2 GLU 60 -2.124 6.983 -7.698 463 HG3 GLU 60 HG3 GLU 60 -3.780 7.194 -8.263 464 H LEU 61 H LEU 61 -1.738 7.584 -4.086 465 HA LEU 61 HA LEU 61 -0.514 5.097 -4.644 466 HB2 LEU 61 HB2 LEU 61 -0.317 6.857 -2.162 467 HB3 LEU 61 HB3 LEU 61 0.750 5.494 -2.485 468 HG LEU 61 HG LEU 61 0.546 7.980 -4.237 469 HD11 LEU 61 HD11 LEU 61 2.691 7.244 -2.231 470 HD12 LEU 61 HD12 LEU 61 1.490 8.526 -2.046 471 HD13 LEU 61 HD13 LEU 61 2.704 8.638 -3.318 472 HD21 LEU 61 HD21 LEU 61 1.246 6.002 -5.508 473 HD22 LEU 61 HD22 LEU 61 2.519 5.668 -4.328 474 HD23 LEU 61 HD23 LEU 61 2.588 7.129 -5.320 475 H GLU 62 H GLU 62 -2.870 6.084 -2.227 476 HA GLU 62 HA GLU 62 -3.041 3.731 -0.694 477 HB2 GLU 62 HB2 GLU 62 -3.930 5.898 0.061 478 HB3 GLU 62 HB3 GLU 62 -5.117 5.881 -1.238 479 HG2 GLU 62 HG2 GLU 62 -6.191 3.873 -0.209 480 HG3 GLU 62 HG3 GLU 62 -5.013 3.945 1.105 481 H ASN 63 H ASN 63 -4.887 4.873 -3.506 482 HA ASN 63 HA ASN 63 -6.682 2.727 -3.771 483 HB2 ASN 63 HB2 ASN 63 -7.036 4.893 -4.890 484 HB3 ASN 63 HB3 ASN 63 -5.612 4.645 -5.887 485 HD21 ASN 63 HD21 ASN 63 -5.743 3.252 -7.678 486 HD22 ASN 63 HD22 ASN 63 -7.248 2.639 -8.258 487 H GLN 64 H GLN 64 -3.408 3.215 -5.002 488 HA GLN 64 HA GLN 64 -3.389 1.066 -6.868 489 HB2 GLN 64 HB2 GLN 64 -1.153 2.689 -5.623 490 HB3 GLN 64 HB3 GLN 64 -0.861 1.440 -6.831 491 HG2 GLN 64 HG2 GLN 64 -2.162 2.660 -8.475 492 HG3 GLN 64 HG3 GLN 64 -2.597 3.886 -7.284 493 HE21 GLN 64 HE21 GLN 64 -0.999 5.358 -6.592 494 HE22 GLN 64 HE22 GLN 64 0.458 5.612 -7.478 495 H PHE 65 H PHE 65 -2.098 1.342 -3.480 496 HA PHE 65 HA PHE 65 -0.924 -1.272 -3.593 497 HB2 PHE 65 HB2 PHE 65 -0.155 -0.992 -1.416 498 HB3 PHE 65 HB3 PHE 65 -0.263 0.664 -1.968 499 HD1 PHE 65 HD1 PHE 65 -1.668 2.253 -0.792 500 HD2 PHE 65 HD2 PHE 65 -1.885 -1.902 0.219 501 HE1 PHE 65 HE1 PHE 65 -2.952 2.797 1.231 502 HE2 PHE 65 HE2 PHE 65 -3.180 -1.341 2.220 503 HZ PHE 65 HZ PHE 65 -3.717 1.007 2.732 504 H ASN 66 H ASN 66 -4.061 -0.015 -2.576 505 HA ASN 66 HA ASN 66 -5.097 -2.446 -1.508 506 HB2 ASN 66 HB2 ASN 66 -6.339 0.154 -2.415 507 HB3 ASN 66 HB3 ASN 66 -7.392 -1.239 -2.193 508 HD21 ASN 66 HD21 ASN 66 -5.347 1.082 -0.563 509 HD22 ASN 66 HD22 ASN 66 -5.902 0.720 1.023 510 H GLU 67 H GLU 67 -5.105 -1.021 -4.772 511 HA GLU 67 HA GLU 67 -6.881 -2.838 -6.011 512 HB2 GLU 67 HB2 GLU 67 -6.147 -0.633 -6.993 513 HB3 GLU 67 HB3 GLU 67 -4.572 -1.338 -7.327 514 HG2 GLU 67 HG2 GLU 67 -5.843 -1.360 -9.375 515 HG3 GLU 67 HG3 GLU 67 -5.683 -3.028 -8.814 516 H THR 68 H THR 68 -3.342 -2.746 -5.930 517 HA THR 68 HA THR 68 -2.735 -5.146 -7.208 518 HB THR 68 HB THR 68 -1.199 -3.676 -5.012 519 HG1 THR 68 HG1 THR 68 -1.439 -2.306 -6.725 520 HG21 THR 68 HG21 THR 68 -0.181 -5.689 -7.053 521 HG22 THR 68 HG22 THR 68 -0.308 -5.961 -5.314 522 HG23 THR 68 HG23 THR 68 0.823 -4.759 -5.937 523 H ASN 69 H ASN 69 -3.363 -4.403 -3.780 524 HA ASN 69 HA ASN 69 -2.699 -6.776 -2.518 525 HB2 ASN 69 HB2 ASN 69 -3.210 -4.773 -1.247 526 HB3 ASN 69 HB3 ASN 69 -4.851 -4.729 -1.867 527 HD21 ASN 69 HD21 ASN 69 -2.671 -6.475 0.251 528 HD22 ASN 69 HD22 ASN 69 -3.896 -7.119 1.273 529 H ARG 70 H ARG 70 -5.900 -5.868 -3.874 530 HA ARG 70 HA ARG 70 -7.343 -8.182 -3.199 531 HB2 ARG 70 HB2 ARG 70 -7.697 -6.044 -5.304 532 HB3 ARG 70 HB3 ARG 70 -8.689 -7.480 -5.432 533 HG2 ARG 70 HG2 ARG 70 -9.856 -5.637 -4.289 534 HG3 ARG 70 HG3 ARG 70 -9.698 -7.068 -3.269 535 HD2 ARG 70 HD2 ARG 70 -7.927 -6.055 -1.987 536 HD3 ARG 70 HD3 ARG 70 -7.811 -4.714 -3.125 537 HE ARG 70 HE ARG 70 -10.368 -4.561 -2.233 538 HH11 ARG 70 HH11 ARG 70 -7.246 -4.610 -0.599 539 HH12 ARG 70 HH12 ARG 70 -7.792 -3.645 0.727 540 HH21 ARG 70 HH21 ARG 70 -11.055 -3.272 -0.497 541 HH22 ARG 70 HH22 ARG 70 -9.960 -2.881 0.785 542 H LEU 71 H LEU 71 -5.595 -7.381 -6.178 543 HA LEU 71 HA LEU 71 -6.186 -9.673 -7.685 544 HB2 LEU 71 HB2 LEU 71 -3.715 -7.901 -7.824 545 HB3 LEU 71 HB3 LEU 71 -4.272 -8.981 -9.101 546 HG LEU 71 HG LEU 71 -5.768 -6.529 -8.087 547 HD11 LEU 71 HD11 LEU 71 -3.772 -5.883 -9.323 548 HD12 LEU 71 HD12 LEU 71 -5.234 -5.485 -10.222 549 HD13 LEU 71 HD13 LEU 71 -4.267 -6.888 -10.690 550 HD21 LEU 71 HD21 LEU 71 -7.286 -6.896 -9.983 551 HD22 LEU 71 HD22 LEU 71 -7.319 -8.242 -8.854 552 HD23 LEU 71 HD23 LEU 71 -6.443 -8.398 -10.379 553 H LEU 72 H LEU 72 -3.634 -9.055 -5.325 554 HA LEU 72 HA LEU 72 -2.085 -11.399 -5.854 555 HB2 LEU 72 HB2 LEU 72 -2.242 -9.638 -3.400 556 HB3 LEU 72 HB3 LEU 72 -1.023 -10.879 -3.662 557 HG LEU 72 HG LEU 72 -1.367 -8.376 -5.351 558 HD11 LEU 72 HD11 LEU 72 -0.613 -7.889 -3.075 559 HD12 LEU 72 HD12 LEU 72 0.649 -7.578 -4.269 560 HD13 LEU 72 HD13 LEU 72 0.723 -9.033 -3.267 561 HD21 LEU 72 HD21 LEU 72 -0.439 -10.238 -6.656 562 HD22 LEU 72 HD22 LEU 72 0.811 -10.492 -5.433 563 HD23 LEU 72 HD23 LEU 72 0.776 -8.994 -6.372 564 H HIS 73 H HIS 73 -4.610 -10.593 -3.424 565 HA HIS 73 HA HIS 73 -4.425 -13.020 -1.937 566 HB2 HIS 73 HB2 HIS 73 -6.675 -10.972 -2.151 567 HB3 HIS 73 HB3 HIS 73 -6.801 -12.395 -1.120 568 HD1 HIS 73 HD1 HIS 73 -4.704 -12.564 0.691 569 HD2 HIS 73 HD2 HIS 73 -5.647 -8.832 -0.828 570 HE1 HIS 73 HE1 HIS 73 -3.629 -10.904 2.227 571 HE2 HIS 73 HE2 HIS 73 -4.478 -8.680 1.439 572 H ILE 74 H ILE 74 -6.499 -11.973 -4.596 573 HA ILE 74 HA ILE 74 -8.145 -14.272 -4.762 574 HB ILE 74 HB ILE 74 -7.447 -12.186 -6.882 575 HG12 ILE 74 HG12 ILE 74 -9.923 -12.343 -5.094 576 HG13 ILE 74 HG13 ILE 74 -8.538 -11.311 -4.767 577 HG21 ILE 74 HG21 ILE 74 -8.354 -14.223 -7.949 578 HG22 ILE 74 HG22 ILE 74 -9.482 -12.877 -8.088 579 HG23 ILE 74 HG23 ILE 74 -9.773 -14.151 -6.901 580 HD11 ILE 74 HD11 ILE 74 -10.342 -10.042 -5.745 581 HD12 ILE 74 HD12 ILE 74 -10.379 -11.105 -7.152 582 HD13 ILE 74 HD13 ILE 74 -8.968 -10.084 -6.851 583 H LYS 75 H LYS 75 -4.990 -13.437 -6.146 584 HA LYS 75 HA LYS 75 -4.815 -15.627 -7.986 585 HB2 LYS 75 HB2 LYS 75 -3.496 -13.572 -8.302 586 HB3 LYS 75 HB3 LYS 75 -2.631 -13.873 -6.797 587 HG2 LYS 75 HG2 LYS 75 -1.604 -15.890 -7.751 588 HG3 LYS 75 HG3 LYS 75 -2.529 -15.683 -9.241 589 HD2 LYS 75 HD2 LYS 75 -0.425 -13.752 -8.180 590 HD3 LYS 75 HD3 LYS 75 -0.172 -14.936 -9.467 591 HE2 LYS 75 HE2 LYS 75 -1.908 -13.781 -10.833 592 HE3 LYS 75 HE3 LYS 75 -2.094 -12.580 -9.553 593 HZ1 LYS 75 HZ1 LYS 75 0.359 -13.094 -11.134 594 HZ2 LYS 75 HZ2 LYS 75 0.237 -12.000 -9.852 595 HZ3 LYS 75 HZ3 LYS 75 -0.668 -11.757 -11.253 596 H GLN 76 H GLN 76 -3.483 -15.036 -4.714 597 HA GLN 76 HA GLN 76 -2.140 -17.566 -4.588 598 HB2 GLN 76 HB2 GLN 76 -1.449 -16.979 -2.376 599 HB3 GLN 76 HB3 GLN 76 -1.359 -15.518 -3.351 600 HG2 GLN 76 HG2 GLN 76 -3.475 -14.733 -2.361 601 HG3 GLN 76 HG3 GLN 76 -3.556 -16.197 -1.373 602 HE21 GLN 76 HE21 GLN 76 -0.485 -14.552 -1.981 603 HE22 GLN 76 HE22 GLN 76 -0.299 -13.948 -0.378 604 H HIS 77 H HIS 77 -5.327 -16.437 -3.796 605 HA HIS 77 HA HIS 77 -6.207 -18.472 -2.057 606 HB2 HIS 77 HB2 HIS 77 -7.473 -16.359 -2.526 607 HB3 HIS 77 HB3 HIS 77 -7.825 -16.940 -4.146 608 HD1 HIS 77 HD1 HIS 77 -8.934 -17.171 -0.639 609 HD2 HIS 77 HD2 HIS 77 -9.684 -19.151 -4.206 610 HE1 HIS 77 HE1 HIS 77 -11.022 -18.499 -0.248 611 HE2 HIS 77 HE2 HIS 77 -11.468 -19.684 -2.425 612 H GLU 78 H GLU 78 -6.042 -18.229 -5.616 613 HA GLU 78 HA GLU 78 -7.259 -20.633 -6.376 614 HB2 GLU 78 HB2 GLU 78 -4.842 -19.301 -7.672 615 HB3 GLU 78 HB3 GLU 78 -5.853 -20.538 -8.424 616 HG2 GLU 78 HG2 GLU 78 -7.763 -19.006 -8.413 617 HG3 GLU 78 HG3 GLU 78 -6.789 -17.772 -7.607 618 H GLU 79 H GLU 79 -3.921 -19.932 -5.413 619 HA GLU 79 HA GLU 79 -2.760 -22.465 -5.800 620 HB2 GLU 79 HB2 GLU 79 -2.023 -20.255 -3.839 621 HB3 GLU 79 HB3 GLU 79 -1.010 -21.666 -4.151 622 HG2 GLU 79 HG2 GLU 79 -1.791 -19.536 -6.176 623 HG3 GLU 79 HG3 GLU 79 -0.229 -19.675 -5.366 624 H VAL 80 H VAL 80 -4.226 -20.969 -2.912 625 HA VAL 80 HA VAL 80 -3.592 -22.972 -1.051 626 HB VAL 80 HB VAL 80 -5.881 -20.955 -0.999 627 HG11 VAL 80 HG11 VAL 80 -6.355 -22.780 0.599 628 HG12 VAL 80 HG12 VAL 80 -5.940 -21.291 1.455 629 HG13 VAL 80 HG13 VAL 80 -4.748 -22.583 1.307 630 HG21 VAL 80 HG21 VAL 80 -4.381 -19.611 0.442 631 HG22 VAL 80 HG22 VAL 80 -3.642 -19.906 -1.130 632 HG23 VAL 80 HG23 VAL 80 -3.116 -20.830 0.277 633 H GLU 81 H GLU 81 -6.561 -22.509 -2.992 634 HA GLU 81 HA GLU 81 -8.000 -24.752 -2.059 635 HB2 GLU 81 HB2 GLU 81 -8.171 -23.486 -4.835 636 HB3 GLU 81 HB3 GLU 81 -9.397 -24.504 -4.079 637 HG2 GLU 81 HG2 GLU 81 -8.576 -21.694 -3.278 638 HG3 GLU 81 HG3 GLU 81 -10.105 -22.200 -3.982 639 H LYS 82 H LYS 82 -5.748 -24.330 -4.761 640 HA LYS 82 HA LYS 82 -5.931 -26.930 -5.878 641 HB2 LYS 82 HB2 LYS 82 -5.187 -25.096 -7.222 642 HB3 LYS 82 HB3 LYS 82 -3.922 -24.664 -6.091 643 HG2 LYS 82 HG2 LYS 82 -3.751 -27.341 -7.452 644 HG3 LYS 82 HG3 LYS 82 -3.408 -25.899 -8.409 645 HD2 LYS 82 HD2 LYS 82 -1.974 -26.674 -5.821 646 HD3 LYS 82 HD3 LYS 82 -1.341 -26.919 -7.451 647 HE2 LYS 82 HE2 LYS 82 -1.258 -24.502 -7.815 648 HE3 LYS 82 HE3 LYS 82 -2.020 -24.206 -6.253 649 HZ1 LYS 82 HZ1 LYS 82 -0.114 -25.012 -5.140 650 HZ2 LYS 82 HZ2 LYS 82 0.406 -23.895 -6.297 651 HZ3 LYS 82 HZ3 LYS 82 0.600 -25.550 -6.578 652 H ASP 83 H ASP 83 -3.962 -25.604 -3.275 653 HA ASP 83 HA ASP 83 -2.040 -27.743 -3.178 654 HB2 ASP 83 HB2 ASP 83 -2.646 -25.499 -1.210 655 HB3 ASP 83 HB3 ASP 83 -1.355 -26.673 -0.978 656 H LYS 84 H LYS 84 -5.060 -26.960 -1.552 657 HA LYS 84 HA LYS 84 -5.181 -29.072 0.329 658 HB2 LYS 84 HB2 LYS 84 -7.362 -27.584 -1.177 659 HB3 LYS 84 HB3 LYS 84 -7.692 -28.725 0.123 660 HG2 LYS 84 HG2 LYS 84 -6.676 -27.304 1.759 661 HG3 LYS 84 HG3 LYS 84 -5.972 -26.260 0.522 662 HD2 LYS 84 HD2 LYS 84 -7.986 -25.288 1.684 663 HD3 LYS 84 HD3 LYS 84 -8.138 -25.364 -0.074 664 HE2 LYS 84 HE2 LYS 84 -10.216 -26.049 1.084 665 HE3 LYS 84 HE3 LYS 84 -9.553 -27.360 0.114 666 HZ1 LYS 84 HZ1 LYS 84 -10.287 -28.158 2.243 667 HZ2 LYS 84 HZ2 LYS 84 -9.295 -27.061 3.058 668 HZ3 LYS 84 HZ3 LYS 84 -8.609 -28.303 2.140 669 H LYS 85 H LYS 85 -6.223 -28.761 -3.052 670 HA LYS 85 HA LYS 85 -7.326 -31.382 -3.352 671 HB2 LYS 85 HB2 LYS 85 -6.424 -29.320 -5.401 672 HB3 LYS 85 HB3 LYS 85 -7.328 -30.783 -5.796 673 HG2 LYS 85 HG2 LYS 85 -9.249 -30.017 -4.530 674 HG3 LYS 85 HG3 LYS 85 -8.349 -28.644 -3.894 675 HD2 LYS 85 HD2 LYS 85 -9.778 -27.785 -5.584 676 HD3 LYS 85 HD3 LYS 85 -8.156 -27.784 -6.270 677 HE2 LYS 85 HE2 LYS 85 -10.177 -29.988 -6.802 678 HE3 LYS 85 HE3 LYS 85 -10.041 -28.553 -7.812 679 HZ1 LYS 85 HZ1 LYS 85 -7.726 -29.182 -8.249 680 HZ2 LYS 85 HZ2 LYS 85 -8.830 -30.342 -8.787 681 HZ3 LYS 85 HZ3 LYS 85 -7.950 -30.611 -7.372 682 H ALA 86 H ALA 86 -4.120 -30.117 -3.458 683 HA ALA 86 HA ALA 86 -2.941 -32.392 -4.850 684 HB1 ALA 86 HB1 ALA 86 -2.024 -30.153 -5.231 685 HB2 ALA 86 HB2 ALA 86 -0.812 -31.211 -4.501 686 HB3 ALA 86 HB3 ALA 86 -1.642 -30.005 -3.514 687 H LYS 87 H LYS 87 -4.370 -33.278 -2.722 688 HA LYS 87 HA LYS 87 -2.895 -33.777 -0.352 689 HB2 LYS 87 HB2 LYS 87 -5.333 -34.059 -0.471 690 HB3 LYS 87 HB3 LYS 87 -5.158 -35.331 -1.672 691 HG2 LYS 87 HG2 LYS 87 -3.905 -36.681 0.101 692 HG3 LYS 87 HG3 LYS 87 -4.399 -35.444 1.267 693 HD2 LYS 87 HD2 LYS 87 -6.797 -35.902 0.619 694 HD3 LYS 87 HD3 LYS 87 -6.229 -37.243 -0.380 695 HE2 LYS 87 HE2 LYS 87 -7.026 -38.031 1.823 696 HE3 LYS 87 HE3 LYS 87 -5.301 -38.341 1.613 697 HZ1 LYS 87 HZ1 LYS 87 -6.414 -36.019 3.091 698 HZ2 LYS 87 HZ2 LYS 87 -4.788 -36.472 2.998 699 HZ3 LYS 87 HZ3 LYS 87 -5.893 -37.454 3.814 700 H GLN 88 H GLN 88 -1.058 -34.937 -0.243 701 HA GLN 88 HA GLN 88 0.568 -36.462 -0.499 702 HB2 GLN 88 HB2 GLN 88 -1.548 -38.128 -1.926 703 HB3 GLN 88 HB3 GLN 88 0.051 -38.729 -1.492 704 HG2 GLN 88 HG2 GLN 88 -0.488 -38.322 0.911 705 HG3 GLN 88 HG3 GLN 88 -2.104 -37.797 0.436 706 HE21 GLN 88 HE21 GLN 88 -0.394 -40.527 -1.057 707 HE22 GLN 88 HE22 GLN 88 -1.443 -41.746 -0.426 708 H GLN 89 H GLN 89 -0.559 -34.667 -2.963 709 HA GLN 89 HA GLN 89 1.389 -35.572 -4.981 710 HB2 GLN 89 HB2 GLN 89 -0.859 -35.008 -5.820 711 HB3 GLN 89 HB3 GLN 89 -0.779 -33.428 -5.055 712 HG2 GLN 89 HG2 GLN 89 -0.417 -33.199 -7.438 713 HG3 GLN 89 HG3 GLN 89 1.054 -32.773 -6.578 714 HE21 GLN 89 HE21 GLN 89 2.889 -34.112 -6.795 715 HE22 GLN 89 HE22 GLN 89 3.006 -35.320 -8.025 716 H LYS 90 H LYS 90 0.483 -32.775 -2.999 717 HA LYS 90 HA LYS 90 3.035 -31.417 -3.333 718 HB2 LYS 90 HB2 LYS 90 0.798 -30.225 -3.095 719 HB3 LYS 90 HB3 LYS 90 0.735 -30.789 -1.430 720 HG2 LYS 90 HG2 LYS 90 2.894 -29.529 -1.024 721 HG3 LYS 90 HG3 LYS 90 2.739 -28.867 -2.656 722 HD2 LYS 90 HD2 LYS 90 0.507 -27.913 -1.979 723 HD3 LYS 90 HD3 LYS 90 0.815 -28.458 -0.327 724 HE2 LYS 90 HE2 LYS 90 1.367 -26.081 -0.542 725 HE3 LYS 90 HE3 LYS 90 2.845 -27.004 -0.268 726 HZ1 LYS 90 HZ1 LYS 90 3.138 -25.356 -1.999 727 HZ2 LYS 90 HZ2 LYS 90 1.873 -26.024 -2.898 728 HZ3 LYS 90 HZ3 LYS 90 3.293 -26.909 -2.644 729 H THR 91 H THR 91 4.480 -31.048 -1.506 730 HA THR 91 HA THR 91 4.938 -33.203 0.270 731 HB THR 91 HB THR 91 5.947 -30.331 0.488 732 HG1 THR 91 HG1 THR 91 7.101 -32.589 -0.832 733 HG21 THR 91 HG21 THR 91 6.376 -31.700 2.542 734 HG22 THR 91 HG22 THR 91 7.868 -31.310 1.686 735 HG23 THR 91 HG23 THR 91 7.168 -32.924 1.543 736 H LEU 92 H LEU 92 4.435 -33.442 2.475 737 HA LEU 92 HA LEU 92 1.893 -32.516 3.282 738 HB2 LEU 92 HB2 LEU 92 2.780 -34.723 3.914 739 HB3 LEU 92 HB3 LEU 92 4.039 -33.971 4.881 740 HG LEU 92 HG LEU 92 2.275 -33.060 6.427 741 HD11 LEU 92 HD11 LEU 92 0.334 -34.690 4.762 742 HD12 LEU 92 HD12 LEU 92 0.397 -32.929 4.882 743 HD13 LEU 92 HD13 LEU 92 -0.036 -33.887 6.294 744 HD21 LEU 92 HD21 LEU 92 2.186 -36.076 6.080 745 HD22 LEU 92 HD22 LEU 92 1.720 -35.181 7.531 746 HD23 LEU 92 HD23 LEU 92 3.395 -35.160 6.987 747 H LYS 93 H LYS 93 1.587 -30.429 3.785 748 HA LYS 93 HA LYS 93 3.099 -29.253 6.053 749 HB2 LYS 93 HB2 LYS 93 1.697 -27.830 3.740 750 HB3 LYS 93 HB3 LYS 93 2.226 -27.007 5.207 751 HG2 LYS 93 HG2 LYS 93 4.575 -27.660 4.697 752 HG3 LYS 93 HG3 LYS 93 4.025 -28.389 3.179 753 HD2 LYS 93 HD2 LYS 93 3.200 -26.172 2.418 754 HD3 LYS 93 HD3 LYS 93 3.701 -25.453 3.951 755 HE2 LYS 93 HE2 LYS 93 5.564 -26.698 1.897 756 HE3 LYS 93 HE3 LYS 93 5.319 -24.970 2.142 757 HZ1 LYS 93 HZ1 LYS 93 6.453 -26.869 4.138 758 HZ2 LYS 93 HZ2 LYS 93 6.203 -25.212 4.385 759 HZ3 LYS 93 HZ3 LYS 93 7.317 -25.735 3.229 760 H GLN 94 H GLN 94 1.740 -27.923 7.498 761 HA GLN 94 HA GLN 94 -0.880 -29.048 7.993 762 HB2 GLN 94 HB2 GLN 94 0.836 -28.323 9.792 763 HB3 GLN 94 HB3 GLN 94 0.395 -26.668 9.411 764 HG2 GLN 94 HG2 GLN 94 -1.610 -28.739 10.363 765 HG3 GLN 94 HG3 GLN 94 -0.719 -27.686 11.453 766 HE21 GLN 94 HE21 GLN 94 -0.899 -25.299 9.778 767 HE22 GLN 94 HE22 GLN 94 -2.543 -24.777 9.840 768 H SER 95 H SER 95 -2.228 -28.464 6.365 769 HA SER 95 HA SER 95 -2.747 -25.601 5.793 770 HB2 SER 95 HB2 SER 95 -3.782 -26.451 3.662 771 HB3 SER 95 HB3 SER 95 -2.071 -26.863 3.789 772 HG SER 95 HG SER 95 -2.558 -28.936 3.953 773 H ASP 96 H ASP 96 -5.059 -25.045 5.471 774 HA ASP 96 HA ASP 96 -6.783 -26.153 7.487 775 HB2 ASP 96 HB2 ASP 96 -6.883 -23.742 6.869 776 HB3 ASP 96 HB3 ASP 96 -7.410 -24.174 5.243 777 H THR 97 H THR 97 -7.325 -28.200 7.122 778 HA THR 97 HA THR 97 -8.328 -29.112 4.486 779 HB THR 97 HB THR 97 -7.259 -30.841 6.776 780 HG1 THR 97 HG1 THR 97 -5.728 -29.230 5.760 781 HG21 THR 97 HG21 THR 97 -8.595 -32.068 5.063 782 HG22 THR 97 HG22 THR 97 -6.899 -32.555 5.041 783 HG23 THR 97 HG23 THR 97 -7.520 -31.459 3.802 784 H LYS 98 H LYS 98 -10.006 -27.612 6.128 785 HA LYS 98 HA LYS 98 -11.659 -29.112 7.888 786 HB2 LYS 98 HB2 LYS 98 -11.491 -26.622 7.929 787 HB3 LYS 98 HB3 LYS 98 -12.277 -26.544 6.364 788 HG2 LYS 98 HG2 LYS 98 -13.926 -25.950 7.962 789 HG3 LYS 98 HG3 LYS 98 -14.332 -27.581 7.432 790 HD2 LYS 98 HD2 LYS 98 -12.723 -27.112 9.965 791 HD3 LYS 98 HD3 LYS 98 -14.479 -26.985 9.972 792 HE2 LYS 98 HE2 LYS 98 -12.878 -29.465 9.235 793 HE3 LYS 98 HE3 LYS 98 -13.769 -29.195 10.735 794 HZ1 LYS 98 HZ1 LYS 98 -15.001 -29.306 8.026 795 HZ2 LYS 98 HZ2 LYS 98 -15.821 -29.148 9.498 796 HZ3 LYS 98 HZ3 LYS 98 -14.983 -30.572 9.146 797 H VAL 99 H VAL 99 -12.570 -27.771 4.698 798 HA VAL 99 HA VAL 99 -13.484 -30.469 3.856 799 HB VAL 99 HB VAL 99 -14.592 -27.793 2.811 800 HG11 VAL 99 HG11 VAL 99 -15.429 -30.650 2.132 801 HG12 VAL 99 HG12 VAL 99 -14.563 -29.539 1.069 802 HG13 VAL 99 HG13 VAL 99 -16.222 -29.181 1.549 803 HG21 VAL 99 HG21 VAL 99 -15.976 -29.860 4.584 804 HG22 VAL 99 HG22 VAL 99 -16.733 -28.415 3.905 805 HG23 VAL 99 HG23 VAL 99 -15.439 -28.255 5.094 Start of MODEL 9 1 H2 GLY 1 H2 GLY 1 -21.956 14.098 13.334 2 H GLY 1 H1 GLY 1 -21.262 12.600 12.977 3 H3 GLY 1 H3 GLY 1 -20.274 13.942 13.259 4 HA2 GLY 1 HA2 GLY 1 -22.165 13.655 10.999 5 HA3 GLY 1 HA3 GLY 1 -21.092 15.018 11.283 6 H VAL 2 H VAL 2 -20.394 14.446 9.047 7 HA VAL 2 HA VAL 2 -17.940 12.884 9.212 8 HB VAL 2 HB VAL 2 -19.597 11.202 8.432 9 HG11 VAL 2 HG11 VAL 2 -21.202 12.652 7.284 10 HG12 VAL 2 HG12 VAL 2 -20.668 11.346 6.227 11 HG13 VAL 2 HG13 VAL 2 -20.028 12.976 6.007 12 HG21 VAL 2 HG21 VAL 2 -17.261 10.966 7.717 13 HG22 VAL 2 HG22 VAL 2 -17.573 11.946 6.283 14 HG23 VAL 2 HG23 VAL 2 -18.353 10.371 6.463 15 H GLU 3 H GLU 3 -16.346 13.735 8.011 16 HA GLU 3 HA GLU 3 -16.919 15.696 5.876 17 HB2 GLU 3 HB2 GLU 3 -14.874 16.036 8.132 18 HB3 GLU 3 HB3 GLU 3 -14.932 17.051 6.692 19 HG2 GLU 3 HG2 GLU 3 -17.120 17.908 7.308 20 HG3 GLU 3 HG3 GLU 3 -17.230 16.791 8.665 21 H LYS 4 H LYS 4 -16.551 14.012 4.431 22 HA LYS 4 HA LYS 4 -14.005 12.652 4.241 23 HB2 LYS 4 HB2 LYS 4 -16.091 11.546 3.485 24 HB3 LYS 4 HB3 LYS 4 -16.346 12.806 2.277 25 HG2 LYS 4 HG2 LYS 4 -14.241 12.109 1.135 26 HG3 LYS 4 HG3 LYS 4 -14.028 10.837 2.345 27 HD2 LYS 4 HD2 LYS 4 -16.177 9.812 1.614 28 HD3 LYS 4 HD3 LYS 4 -16.332 11.054 0.365 29 HE2 LYS 4 HE2 LYS 4 -15.429 8.962 -0.579 30 HE3 LYS 4 HE3 LYS 4 -14.236 10.257 -0.684 31 HZ1 LYS 4 HZ1 LYS 4 -13.239 8.183 0.060 32 HZ2 LYS 4 HZ2 LYS 4 -14.286 8.117 1.386 33 HZ3 LYS 4 HZ3 LYS 4 -13.133 9.350 1.280 34 H THR 5 H THR 5 -15.709 15.242 2.489 35 HA THR 5 HA THR 5 -13.360 16.020 0.951 36 HB THR 5 HB THR 5 -15.551 16.220 -0.143 37 HG1 THR 5 HG1 THR 5 -14.417 17.762 -1.048 38 HG21 THR 5 HG21 THR 5 -17.250 17.867 0.568 39 HG22 THR 5 HG22 THR 5 -16.284 18.264 1.991 40 HG23 THR 5 HG23 THR 5 -16.990 16.655 1.825 41 H ALA 6 H ALA 6 -11.994 17.642 1.470 42 HA ALA 6 HA ALA 6 -12.053 18.860 4.101 43 HB1 ALA 6 HB1 ALA 6 -9.829 19.748 3.481 44 HB2 ALA 6 HB2 ALA 6 -10.045 19.135 1.839 45 HB3 ALA 6 HB3 ALA 6 -9.935 18.009 3.192 46 H GLY 7 H GLY 7 -11.859 20.094 0.733 47 HA2 GLY 7 HA2 GLY 7 -13.151 21.799 -0.214 48 HA3 GLY 7 HA3 GLY 7 -13.649 22.331 1.381 49 H GLU 8 H GLU 8 -10.929 22.247 -0.869 50 HA GLU 8 HA GLU 8 -9.430 24.376 0.370 51 HB2 GLU 8 HB2 GLU 8 -8.295 22.636 -0.957 52 HB3 GLU 8 HB3 GLU 8 -9.230 23.071 -2.383 53 HG2 GLU 8 HG2 GLU 8 -8.113 25.265 -2.472 54 HG3 GLU 8 HG3 GLU 8 -7.199 24.868 -1.011 55 H THR 9 H THR 9 -10.730 26.143 0.552 56 HA THR 9 HA THR 9 -12.455 27.184 -1.491 57 HB THR 9 HB THR 9 -12.600 29.179 0.148 58 HG1 THR 9 HG1 THR 9 -11.629 28.024 2.318 59 HG21 THR 9 HG21 THR 9 -14.249 27.339 0.229 60 HG22 THR 9 HG22 THR 9 -13.887 27.933 1.851 61 HG23 THR 9 HG23 THR 9 -13.178 26.417 1.288 62 H SER 10 H SER 10 -9.586 28.594 0.066 63 HA SER 10 HA SER 10 -8.284 29.418 -2.318 64 HB2 SER 10 HB2 SER 10 -8.465 31.923 -1.897 65 HB3 SER 10 HB3 SER 10 -9.969 31.172 -2.431 66 HG SER 10 HG SER 10 -10.032 32.675 -0.571 67 H ALA 11 H ALA 11 -8.637 29.365 1.146 68 HA ALA 11 HA ALA 11 -5.735 29.811 1.528 69 HB1 ALA 11 HB1 ALA 11 -7.954 29.569 3.605 70 HB2 ALA 11 HB2 ALA 11 -7.213 31.071 3.047 71 HB3 ALA 11 HB3 ALA 11 -6.247 29.896 3.939 72 H THR 12 H THR 12 -4.518 28.240 2.708 73 HA THR 12 HA THR 12 -5.633 25.536 3.012 74 HB THR 12 HB THR 12 -4.500 25.365 0.894 75 HG1 THR 12 HG1 THR 12 -2.699 23.949 1.476 76 HG21 THR 12 HG21 THR 12 -2.077 26.683 2.168 77 HG22 THR 12 HG22 THR 12 -3.141 27.422 0.969 78 HG23 THR 12 HG23 THR 12 -2.143 26.033 0.530 79 H ASP 13 H ASP 13 -5.380 25.001 5.073 80 HA ASP 13 HA ASP 13 -3.718 26.586 6.833 81 HB2 ASP 13 HB2 ASP 13 -5.670 24.324 7.433 82 HB3 ASP 13 HB3 ASP 13 -4.894 25.336 8.649 83 H THR 14 H THR 14 -1.676 25.890 6.010 84 HA THR 14 HA THR 14 -0.659 23.253 6.189 85 HB THR 14 HB THR 14 1.605 24.419 6.067 86 HG1 THR 14 HG1 THR 14 1.640 26.441 6.616 87 HG21 THR 14 HG21 THR 14 0.425 23.766 4.003 88 HG22 THR 14 HG22 THR 14 1.290 25.287 3.781 89 HG23 THR 14 HG23 THR 14 -0.459 25.299 4.012 90 H GLY 15 H GLY 15 1.167 22.605 7.685 91 HA2 GLY 15 HA2 GLY 15 1.970 22.211 9.820 92 HA3 GLY 15 HA3 GLY 15 1.101 23.625 10.399 93 H LYS 16 H LYS 16 -1.448 23.224 10.062 94 HA LYS 16 HA LYS 16 -2.235 21.198 11.898 95 HB2 LYS 16 HB2 LYS 16 -3.938 22.908 10.013 96 HB3 LYS 16 HB3 LYS 16 -4.597 21.846 11.247 97 HG2 LYS 16 HG2 LYS 16 -4.693 24.054 12.127 98 HG3 LYS 16 HG3 LYS 16 -3.393 23.226 12.986 99 HD2 LYS 16 HD2 LYS 16 -1.717 24.380 11.599 100 HD3 LYS 16 HD3 LYS 16 -2.994 25.156 10.658 101 HE2 LYS 16 HE2 LYS 16 -2.039 26.703 12.313 102 HE3 LYS 16 HE3 LYS 16 -3.735 26.380 12.667 103 HZ1 LYS 16 HZ1 LYS 16 -3.079 24.870 14.408 104 HZ2 LYS 16 HZ2 LYS 16 -2.306 26.355 14.654 105 HZ3 LYS 16 HZ3 LYS 16 -1.445 25.048 14.020 106 H ARG 17 H ARG 17 -2.799 21.643 8.406 107 HA ARG 17 HA ARG 17 -3.939 19.116 7.841 108 HB2 ARG 17 HB2 ARG 17 -4.181 21.106 6.368 109 HB3 ARG 17 HB3 ARG 17 -2.462 21.051 6.002 110 HG2 ARG 17 HG2 ARG 17 -2.808 18.831 4.891 111 HG3 ARG 17 HG3 ARG 17 -4.541 18.975 5.211 112 HD2 ARG 17 HD2 ARG 17 -4.640 21.011 3.830 113 HD3 ARG 17 HD3 ARG 17 -2.897 20.915 3.547 114 HE ARG 17 HE ARG 17 -4.506 18.613 2.734 115 HH11 ARG 17 HH11 ARG 17 -2.824 21.528 1.681 116 HH12 ARG 17 HH12 ARG 17 -2.786 21.032 0.024 117 HH21 ARG 17 HH21 ARG 17 -4.432 17.999 0.583 118 HH22 ARG 17 HH22 ARG 17 -3.699 19.030 -0.602 119 H GLU 18 H GLU 18 -0.609 20.356 7.743 120 HA GLU 18 HA GLU 18 0.558 18.187 6.358 121 HB2 GLU 18 HB2 GLU 18 1.797 20.281 8.175 122 HB3 GLU 18 HB3 GLU 18 2.746 19.102 7.270 123 HG2 GLU 18 HG2 GLU 18 1.788 20.008 5.151 124 HG3 GLU 18 HG3 GLU 18 0.939 21.239 6.094 125 H LYS 19 H LYS 19 0.086 18.798 9.834 126 HA LYS 19 HA LYS 19 1.678 16.602 10.738 127 HB2 LYS 19 HB2 LYS 19 -0.119 18.615 12.024 128 HB3 LYS 19 HB3 LYS 19 0.003 17.088 12.880 129 HG2 LYS 19 HG2 LYS 19 1.622 18.737 13.730 130 HG3 LYS 19 HG3 LYS 19 2.406 17.301 13.071 131 HD2 LYS 19 HD2 LYS 19 2.985 18.533 11.010 132 HD3 LYS 19 HD3 LYS 19 2.132 19.958 11.607 133 HE2 LYS 19 HE2 LYS 19 4.594 18.715 12.884 134 HE3 LYS 19 HE3 LYS 19 4.575 20.168 11.884 135 HZ1 LYS 19 HZ1 LYS 19 4.616 20.781 14.175 136 HZ2 LYS 19 HZ2 LYS 19 3.276 19.821 14.528 137 HZ3 LYS 19 HZ3 LYS 19 3.097 21.190 13.556 138 H GLN 20 H GLN 20 -1.784 16.984 10.009 139 HA GLN 20 HA GLN 20 -2.621 14.362 10.725 140 HB2 GLN 20 HB2 GLN 20 -3.771 16.182 8.551 141 HB3 GLN 20 HB3 GLN 20 -4.573 14.771 9.241 142 HG2 GLN 20 HG2 GLN 20 -3.917 17.366 10.671 143 HG3 GLN 20 HG3 GLN 20 -5.513 16.811 10.173 144 HE21 GLN 20 HE21 GLN 20 -2.986 16.503 12.559 145 HE22 GLN 20 HE22 GLN 20 -3.894 15.538 13.668 146 H LEU 21 H LEU 21 -1.124 15.750 7.906 147 HA LEU 21 HA LEU 21 -1.459 13.588 6.082 148 HB2 LEU 21 HB2 LEU 21 -1.116 16.126 5.644 149 HB3 LEU 21 HB3 LEU 21 0.581 15.852 5.944 150 HG LEU 21 HG LEU 21 -0.104 16.045 3.517 151 HD11 LEU 21 HD11 LEU 21 1.321 14.303 2.656 152 HD12 LEU 21 HD12 LEU 21 1.248 13.443 4.197 153 HD13 LEU 21 HD13 LEU 21 2.022 15.026 4.103 154 HD21 LEU 21 HD21 LEU 21 -1.153 14.154 2.400 155 HD22 LEU 21 HD22 LEU 21 -2.222 14.838 3.623 156 HD23 LEU 21 HD23 LEU 21 -1.362 13.329 3.949 157 H GLN 22 H GLN 22 1.146 14.614 8.324 158 HA GLN 22 HA GLN 22 3.091 12.706 7.496 159 HB2 GLN 22 HB2 GLN 22 2.840 14.098 10.198 160 HB3 GLN 22 HB3 GLN 22 4.235 13.169 9.664 161 HG2 GLN 22 HG2 GLN 22 3.277 15.848 8.637 162 HG3 GLN 22 HG3 GLN 22 4.805 15.466 9.423 163 HE21 GLN 22 HE21 GLN 22 6.382 14.268 8.205 164 HE22 GLN 22 HE22 GLN 22 6.360 14.299 6.479 165 H GLN 23 H GLN 23 0.524 12.684 9.955 166 HA GLN 23 HA GLN 23 1.093 10.175 11.133 167 HB2 GLN 23 HB2 GLN 23 -1.541 11.680 10.839 168 HB3 GLN 23 HB3 GLN 23 -1.371 10.206 11.796 169 HG2 GLN 23 HG2 GLN 23 0.215 11.295 13.277 170 HG3 GLN 23 HG3 GLN 23 0.188 12.761 12.299 171 HE21 GLN 23 HE21 GLN 23 -1.677 14.077 12.345 172 HE22 GLN 23 HE22 GLN 23 -2.850 13.955 13.602 173 H TRP 24 H TRP 24 -1.002 11.108 8.421 174 HA TRP 24 HA TRP 24 -2.042 8.559 7.830 175 HB2 TRP 24 HB2 TRP 24 -3.061 10.689 7.046 176 HB3 TRP 24 HB3 TRP 24 -1.685 10.957 5.978 177 HD1 TRP 24 HD1 TRP 24 -3.297 7.463 6.217 178 HE1 TRP 24 HE1 TRP 24 -4.442 6.937 3.981 179 HE3 TRP 24 HE3 TRP 24 -2.837 12.025 3.977 180 HZ2 TRP 24 HZ2 TRP 24 -5.101 8.267 1.600 181 HZ3 TRP 24 HZ3 TRP 24 -3.761 12.323 1.717 182 HH2 TRP 24 HH2 TRP 24 -4.865 10.482 0.557 183 H LYS 25 H LYS 25 0.898 10.255 6.703 184 HA LYS 25 HA LYS 25 1.845 8.431 4.821 185 HB2 LYS 25 HB2 LYS 25 3.343 10.167 6.816 186 HB3 LYS 25 HB3 LYS 25 4.192 9.159 5.649 187 HG2 LYS 25 HG2 LYS 25 3.210 10.420 3.793 188 HG3 LYS 25 HG3 LYS 25 2.280 11.413 4.931 189 HD2 LYS 25 HD2 LYS 25 4.392 12.218 5.950 190 HD3 LYS 25 HD3 LYS 25 5.318 11.220 4.825 191 HE2 LYS 25 HE2 LYS 25 3.472 13.452 3.949 192 HE3 LYS 25 HE3 LYS 25 5.177 13.664 4.236 193 HZ1 LYS 25 HZ1 LYS 25 3.992 11.847 2.231 194 HZ2 LYS 25 HZ2 LYS 25 5.644 12.056 2.517 195 HZ3 LYS 25 HZ3 LYS 25 4.728 13.335 1.908 196 H ASN 26 H ASN 26 2.373 8.519 8.361 197 HA ASN 26 HA ASN 26 4.045 6.269 8.559 198 HB2 ASN 26 HB2 ASN 26 2.237 7.531 10.655 199 HB3 ASN 26 HB3 ASN 26 3.417 6.270 11.018 200 HD21 ASN 26 HD21 ASN 26 3.379 8.851 12.136 201 HD22 ASN 26 HD22 ASN 26 4.829 9.661 11.675 202 H ASN 27 H ASN 27 0.493 6.536 8.763 203 HA ASN 27 HA ASN 27 -0.057 3.884 9.571 204 HB2 ASN 27 HB2 ASN 27 -1.749 5.876 7.999 205 HB3 ASN 27 HB3 ASN 27 -2.352 4.289 8.472 206 HD21 ASN 27 HD21 ASN 27 -2.566 3.831 10.742 207 HD22 ASN 27 HD22 ASN 27 -2.802 5.118 11.869 208 H LEU 28 H LEU 28 0.092 5.396 6.341 209 HA LEU 28 HA LEU 28 -0.573 3.071 4.874 210 HB2 LEU 28 HB2 LEU 28 0.809 5.638 4.034 211 HB3 LEU 28 HB3 LEU 28 0.385 4.366 2.900 212 HG LEU 28 HG LEU 28 -1.570 6.020 4.538 213 HD11 LEU 28 HD11 LEU 28 -2.267 6.953 2.381 214 HD12 LEU 28 HD12 LEU 28 -1.021 6.016 1.552 215 HD13 LEU 28 HD13 LEU 28 -0.564 7.281 2.698 216 HD21 LEU 28 HD21 LEU 28 -2.136 3.796 2.547 217 HD22 LEU 28 HD22 LEU 28 -3.344 4.865 3.266 218 HD23 LEU 28 HD23 LEU 28 -2.436 3.756 4.288 219 H LYS 29 H LYS 29 2.587 4.525 5.679 220 HA LYS 29 HA LYS 29 4.292 2.868 4.198 221 HB2 LYS 29 HB2 LYS 29 4.730 4.377 6.806 222 HB3 LYS 29 HB3 LYS 29 6.032 3.534 5.972 223 HG2 LYS 29 HG2 LYS 29 6.095 5.061 4.203 224 HG3 LYS 29 HG3 LYS 29 4.431 5.594 4.457 225 HD2 LYS 29 HD2 LYS 29 6.092 7.324 5.095 226 HD3 LYS 29 HD3 LYS 29 5.066 6.840 6.443 227 HE2 LYS 29 HE2 LYS 29 7.341 7.093 7.232 228 HE3 LYS 29 HE3 LYS 29 6.938 5.378 7.272 229 HZ1 LYS 29 HZ1 LYS 29 8.566 6.773 5.214 230 HZ2 LYS 29 HZ2 LYS 29 8.103 5.153 5.122 231 HZ3 LYS 29 HZ3 LYS 29 9.123 5.666 6.368 232 H ASN 30 H ASN 30 2.852 2.484 7.407 233 HA ASN 30 HA ASN 30 4.224 0.040 8.066 234 HB2 ASN 30 HB2 ASN 30 1.828 1.451 9.295 235 HB3 ASN 30 HB3 ASN 30 2.446 -0.076 9.922 236 HD21 ASN 30 HD21 ASN 30 2.335 2.590 11.193 237 HD22 ASN 30 HD22 ASN 30 3.960 2.943 11.656 238 H ASP 31 H ASP 31 1.035 0.867 6.705 239 HA ASP 31 HA ASP 31 -0.136 -1.703 6.721 240 HB2 ASP 31 HB2 ASP 31 -0.661 0.704 4.925 241 HB3 ASP 31 HB3 ASP 31 -1.575 -0.793 4.775 242 H VAL 32 H VAL 32 1.756 -0.011 4.252 243 HA VAL 32 HA VAL 32 1.608 -1.895 2.176 244 HB VAL 32 HB VAL 32 3.749 0.212 2.746 245 HG11 VAL 32 HG11 VAL 32 4.675 -1.541 1.264 246 HG12 VAL 32 HG12 VAL 32 4.465 -0.019 0.400 247 HG13 VAL 32 HG13 VAL 32 3.313 -1.333 0.162 248 HG21 VAL 32 HG21 VAL 32 1.399 0.283 0.803 249 HG22 VAL 32 HG22 VAL 32 2.581 1.574 1.048 250 HG23 VAL 32 HG23 VAL 32 1.474 1.131 2.348 251 H ASP 33 H ASP 33 3.698 -1.587 4.954 252 HA ASP 33 HA ASP 33 5.567 -3.651 4.231 253 HB2 ASP 33 HB2 ASP 33 6.023 -1.629 5.756 254 HB3 ASP 33 HB3 ASP 33 5.078 -2.450 6.996 255 H ASN 34 H ASN 34 2.611 -3.403 6.173 256 HA ASN 34 HA ASN 34 2.759 -5.970 7.444 257 HB2 ASN 34 HB2 ASN 34 0.459 -3.987 7.112 258 HB3 ASN 34 HB3 ASN 34 0.277 -5.507 7.984 259 HD21 ASN 34 HD21 ASN 34 0.068 -2.696 8.906 260 HD22 ASN 34 HD22 ASN 34 1.151 -2.576 10.244 261 H THR 35 H THR 35 1.504 -4.823 4.380 262 HA THR 35 HA THR 35 -0.346 -6.985 3.930 263 HB THR 35 HB THR 35 -0.373 -6.024 1.538 264 HG1 THR 35 HG1 THR 35 0.855 -3.728 2.578 265 HG21 THR 35 HG21 THR 35 -2.098 -5.422 3.209 266 HG22 THR 35 HG22 THR 35 -1.714 -4.070 2.143 267 HG23 THR 35 HG23 THR 35 -1.072 -4.104 3.787 268 H ILE 36 H ILE 36 -0.100 -7.994 1.591 269 HA ILE 36 HA ILE 36 2.290 -9.698 1.798 270 HB ILE 36 HB ILE 36 1.040 -11.304 0.419 271 HG12 ILE 36 HG12 ILE 36 -1.282 -9.306 0.371 272 HG13 ILE 36 HG13 ILE 36 -0.195 -9.582 -0.987 273 HG21 ILE 36 HG21 ILE 36 -0.708 -10.216 2.669 274 HG22 ILE 36 HG22 ILE 36 0.651 -11.329 2.867 275 HG23 ILE 36 HG23 ILE 36 -0.788 -11.844 1.987 276 HD11 ILE 36 HD11 ILE 36 -1.994 -11.660 0.251 277 HD12 ILE 36 HD12 ILE 36 -0.928 -11.893 -1.139 278 HD13 ILE 36 HD13 ILE 36 -2.287 -10.776 -1.243 279 H LEU 37 H LEU 37 2.212 -6.921 0.436 280 HA LEU 37 HA LEU 37 2.390 -7.212 -2.377 281 HB2 LEU 37 HB2 LEU 37 3.914 -5.158 -0.737 282 HB3 LEU 37 HB3 LEU 37 3.490 -5.050 -2.436 283 HG LEU 37 HG LEU 37 1.699 -4.700 -0.021 284 HD11 LEU 37 HD11 LEU 37 1.226 -2.528 -1.035 285 HD12 LEU 37 HD12 LEU 37 2.312 -2.898 -2.376 286 HD13 LEU 37 HD13 LEU 37 2.944 -2.746 -0.732 287 HD21 LEU 37 HD21 LEU 37 0.751 -5.030 -2.880 288 HD22 LEU 37 HD22 LEU 37 -0.235 -4.426 -1.542 289 HD23 LEU 37 HD23 LEU 37 0.380 -6.076 -1.503 290 H SER 38 H SER 38 4.266 -7.289 -3.758 291 HA SER 38 HA SER 38 6.432 -8.943 -2.966 292 HB2 SER 38 HB2 SER 38 5.692 -8.678 -5.361 293 HB3 SER 38 HB3 SER 38 6.315 -7.029 -5.357 294 HG SER 38 HG SER 38 7.989 -8.128 -6.127 295 H HIS 39 H HIS 39 8.733 -8.298 -2.877 296 HA HIS 39 HA HIS 39 9.249 -6.384 -0.903 297 HB2 HIS 39 HB2 HIS 39 10.672 -8.381 -1.441 298 HB3 HIS 39 HB3 HIS 39 11.206 -7.585 -2.914 299 HD1 HIS 39 HD1 HIS 39 11.761 -7.674 0.759 300 HD2 HIS 39 HD2 HIS 39 13.070 -5.451 -2.505 301 HE1 HIS 39 HE1 HIS 39 13.747 -6.381 1.579 302 HE2 HIS 39 HE2 HIS 39 14.507 -5.026 -0.401 303 H GLU 40 H GLU 40 9.449 -6.179 -4.418 304 HA GLU 40 HA GLU 40 10.745 -3.642 -4.589 305 HB2 GLU 40 HB2 GLU 40 9.047 -5.004 -6.728 306 HB3 GLU 40 HB3 GLU 40 10.217 -3.716 -6.978 307 HG2 GLU 40 HG2 GLU 40 11.379 -5.613 -7.693 308 HG3 GLU 40 HG3 GLU 40 11.978 -5.378 -6.058 309 H GLN 41 H GLN 41 7.374 -4.727 -4.697 310 HA GLN 41 HA GLN 41 6.111 -2.283 -5.338 311 HB2 GLN 41 HB2 GLN 41 5.041 -4.636 -3.709 312 HB3 GLN 41 HB3 GLN 41 4.048 -3.333 -4.361 313 HG2 GLN 41 HG2 GLN 41 5.698 -5.199 -6.089 314 HG3 GLN 41 HG3 GLN 41 4.024 -5.498 -5.654 315 HE21 GLN 41 HE21 GLN 41 3.169 -2.704 -5.894 316 HE22 GLN 41 HE22 GLN 41 3.161 -2.354 -7.582 317 H LYS 42 H LYS 42 7.030 -3.785 -2.251 318 HA LYS 42 HA LYS 42 5.836 -1.888 -0.535 319 HB2 LYS 42 HB2 LYS 42 8.111 -3.852 -0.061 320 HB3 LYS 42 HB3 LYS 42 7.426 -2.836 1.213 321 HG2 LYS 42 HG2 LYS 42 5.188 -3.849 0.751 322 HG3 LYS 42 HG3 LYS 42 5.960 -4.952 -0.397 323 HD2 LYS 42 HD2 LYS 42 7.295 -5.945 1.410 324 HD3 LYS 42 HD3 LYS 42 6.658 -4.774 2.570 325 HE2 LYS 42 HE2 LYS 42 4.384 -5.700 2.230 326 HE3 LYS 42 HE3 LYS 42 5.040 -6.886 1.104 327 HZ1 LYS 42 HZ1 LYS 42 4.701 -7.794 3.302 328 HZ2 LYS 42 HZ2 LYS 42 5.764 -6.657 3.969 329 HZ3 LYS 42 HZ3 LYS 42 6.336 -7.819 2.883 330 H ASN 43 H ASN 43 9.143 -2.196 -1.834 331 HA ASN 43 HA ASN 43 10.317 0.050 -0.657 332 HB2 ASN 43 HB2 ASN 43 10.790 -1.157 -3.410 333 HB3 ASN 43 HB3 ASN 43 11.808 0.104 -2.721 334 HD21 ASN 43 HD21 ASN 43 12.463 -2.621 -3.550 335 HD22 ASN 43 HD22 ASN 43 13.188 -3.359 -2.171 336 H GLU 44 H GLU 44 8.469 -0.211 -3.721 337 HA GLU 44 HA GLU 44 8.766 2.454 -4.576 338 HB2 GLU 44 HB2 GLU 44 6.627 0.383 -5.191 339 HB3 GLU 44 HB3 GLU 44 6.639 1.981 -5.939 340 HG2 GLU 44 HG2 GLU 44 8.918 1.480 -6.836 341 HG3 GLU 44 HG3 GLU 44 8.758 -0.164 -6.211 342 H PHE 45 H PHE 45 5.922 0.930 -2.974 343 HA PHE 45 HA PHE 45 4.390 3.285 -2.955 344 HB2 PHE 45 HB2 PHE 45 4.092 0.671 -1.457 345 HB3 PHE 45 HB3 PHE 45 3.000 2.010 -1.136 346 HD1 PHE 45 HD1 PHE 45 1.826 3.068 -3.246 347 HD2 PHE 45 HD2 PHE 45 3.491 -0.880 -3.158 348 HE1 PHE 45 HE1 PHE 45 0.399 2.413 -5.136 349 HE2 PHE 45 HE2 PHE 45 2.068 -1.517 -5.056 350 HZ PHE 45 HZ PHE 45 0.520 0.125 -6.045 351 H LYS 46 H LYS 46 6.208 1.740 -0.259 352 HA LYS 46 HA LYS 46 5.595 3.553 1.763 353 HB2 LYS 46 HB2 LYS 46 8.040 1.796 1.325 354 HB3 LYS 46 HB3 LYS 46 7.848 2.763 2.788 355 HG2 LYS 46 HG2 LYS 46 6.028 1.496 3.563 356 HG3 LYS 46 HG3 LYS 46 5.625 0.905 1.957 357 HD2 LYS 46 HD2 LYS 46 6.481 -0.943 3.227 358 HD3 LYS 46 HD3 LYS 46 7.680 -0.528 2.003 359 HE2 LYS 46 HE2 LYS 46 8.797 -1.028 4.088 360 HE3 LYS 46 HE3 LYS 46 8.974 0.699 3.766 361 HZ1 LYS 46 HZ1 LYS 46 8.397 0.202 6.091 362 HZ2 LYS 46 HZ2 LYS 46 6.938 -0.480 5.589 363 HZ3 LYS 46 HZ3 LYS 46 7.229 1.163 5.341 364 H THR 47 H THR 47 8.261 3.730 -0.620 365 HA THR 47 HA THR 47 9.471 6.081 0.491 366 HB THR 47 HB THR 47 9.802 4.942 -2.328 367 HG1 THR 47 HG1 THR 47 10.929 3.429 -1.415 368 HG21 THR 47 HG21 THR 47 11.697 6.682 -0.687 369 HG22 THR 47 HG22 THR 47 10.720 7.262 -2.038 370 HG23 THR 47 HG23 THR 47 11.983 6.062 -2.315 371 H LYS 48 H LYS 48 7.254 5.497 -2.244 372 HA LYS 48 HA LYS 48 7.164 8.125 -3.261 373 HB2 LYS 48 HB2 LYS 48 5.154 5.848 -3.489 374 HB3 LYS 48 HB3 LYS 48 4.977 7.377 -4.349 375 HG2 LYS 48 HG2 LYS 48 7.008 6.984 -5.612 376 HG3 LYS 48 HG3 LYS 48 7.385 5.548 -4.653 377 HD2 LYS 48 HD2 LYS 48 5.259 4.490 -5.544 378 HD3 LYS 48 HD3 LYS 48 5.070 5.888 -6.612 379 HE2 LYS 48 HE2 LYS 48 7.207 5.357 -7.704 380 HE3 LYS 48 HE3 LYS 48 7.457 4.003 -6.602 381 HZ1 LYS 48 HZ1 LYS 48 5.428 2.996 -7.518 382 HZ2 LYS 48 HZ2 LYS 48 6.633 3.202 -8.682 383 HZ3 LYS 48 HZ3 LYS 48 5.309 4.260 -8.636 384 H ILE 49 H ILE 49 5.349 6.507 -0.707 385 HA ILE 49 HA ILE 49 3.352 8.429 -0.229 386 HB ILE 49 HB ILE 49 4.636 6.343 1.583 387 HG12 ILE 49 HG12 ILE 49 1.789 6.394 0.489 388 HG13 ILE 49 HG13 ILE 49 3.122 5.698 -0.418 389 HG21 ILE 49 HG21 ILE 49 2.240 8.081 2.292 390 HG22 ILE 49 HG22 ILE 49 3.829 8.167 3.051 391 HG23 ILE 49 HG23 ILE 49 2.838 6.716 3.246 392 HD11 ILE 49 HD11 ILE 49 2.237 4.752 2.309 393 HD12 ILE 49 HD12 ILE 49 3.475 4.022 1.284 394 HD13 ILE 49 HD13 ILE 49 1.789 4.018 0.770 395 H ASP 50 H ASP 50 6.698 8.127 0.921 396 HA ASP 50 HA ASP 50 6.660 10.302 2.777 397 HB2 ASP 50 HB2 ASP 50 8.940 8.866 1.366 398 HB3 ASP 50 HB3 ASP 50 9.212 10.146 2.543 399 H GLU 51 H GLU 51 7.537 10.015 -0.644 400 HA GLU 51 HA GLU 51 8.582 12.688 -0.856 401 HB2 GLU 51 HB2 GLU 51 7.847 10.712 -3.064 402 HB3 GLU 51 HB3 GLU 51 8.790 12.188 -3.273 403 HG2 GLU 51 HG2 GLU 51 9.602 9.743 -1.668 404 HG3 GLU 51 HG3 GLU 51 10.252 10.228 -3.231 405 H THR 52 H THR 52 5.462 11.208 -1.303 406 HA THR 52 HA THR 52 4.308 13.463 -2.738 407 HB THR 52 HB THR 52 3.019 10.928 -1.631 408 HG1 THR 52 HG1 THR 52 3.938 11.685 -4.218 409 HG21 THR 52 HG21 THR 52 1.364 12.760 -1.859 410 HG22 THR 52 HG22 THR 52 1.108 11.506 -3.073 411 HG23 THR 52 HG23 THR 52 1.889 13.019 -3.528 412 H ASN 53 H ASN 53 3.694 15.200 -1.674 413 HA ASN 53 HA ASN 53 3.160 15.139 1.239 414 HB2 ASN 53 HB2 ASN 53 3.754 17.582 -0.491 415 HB3 ASN 53 HB3 ASN 53 3.783 17.478 1.269 416 HD21 ASN 53 HD21 ASN 53 5.501 16.780 -1.668 417 HD22 ASN 53 HD22 ASN 53 7.002 16.335 -0.936 418 H ASP 54 H ASP 54 1.586 15.342 -1.738 419 HA ASP 54 HA ASP 54 -0.602 17.090 -0.906 420 HB2 ASP 54 HB2 ASP 54 0.290 17.145 -3.253 421 HB3 ASP 54 HB3 ASP 54 -0.236 15.479 -3.478 422 H SER 55 H SER 55 -2.741 16.419 -0.628 423 HA SER 55 HA SER 55 -3.099 13.924 0.699 424 HB2 SER 55 HB2 SER 55 -5.231 15.927 -0.166 425 HB3 SER 55 HB3 SER 55 -5.420 14.654 1.045 426 HG SER 55 HG SER 55 -3.303 16.000 1.775 427 H ASP 56 H ASP 56 -4.256 15.142 -2.485 428 HA ASP 56 HA ASP 56 -5.870 12.814 -3.030 429 HB2 ASP 56 HB2 ASP 56 -5.065 15.188 -4.755 430 HB3 ASP 56 HB3 ASP 56 -6.031 13.859 -5.392 431 H ALA 57 H ALA 57 -2.628 13.839 -3.948 432 HA ALA 57 HA ALA 57 -2.144 11.723 -5.815 433 HB1 ALA 57 HB1 ALA 57 -0.164 13.441 -4.286 434 HB2 ALA 57 HB2 ALA 57 -0.830 13.799 -5.880 435 HB3 ALA 57 HB3 ALA 57 0.225 12.400 -5.654 436 H LEU 58 H LEU 58 -1.813 12.040 -2.287 437 HA LEU 58 HA LEU 58 -0.637 9.442 -1.884 438 HB2 LEU 58 HB2 LEU 58 -1.874 11.513 -0.081 439 HB3 LEU 58 HB3 LEU 58 -1.706 9.882 0.543 440 HG LEU 58 HG LEU 58 0.569 11.673 -0.393 441 HD11 LEU 58 HD11 LEU 58 -0.370 12.347 1.770 442 HD12 LEU 58 HD12 LEU 58 1.255 11.689 1.950 443 HD13 LEU 58 HD13 LEU 58 -0.148 10.708 2.388 444 HD21 LEU 58 HD21 LEU 58 1.045 9.332 -0.925 445 HD22 LEU 58 HD22 LEU 58 0.676 8.860 0.738 446 HD23 LEU 58 HD23 LEU 58 2.063 9.898 0.394 447 H LEU 59 H LEU 59 -3.947 10.708 -2.069 448 HA LEU 59 HA LEU 59 -5.371 8.405 -1.293 449 HB2 LEU 59 HB2 LEU 59 -6.091 10.676 -3.179 450 HB3 LEU 59 HB3 LEU 59 -7.210 9.358 -2.881 451 HG LEU 59 HG LEU 59 -6.145 11.214 -0.715 452 HD11 LEU 59 HD11 LEU 59 -8.839 11.279 -2.100 453 HD12 LEU 59 HD12 LEU 59 -7.547 12.472 -2.268 454 HD13 LEU 59 HD13 LEU 59 -8.353 12.263 -0.715 455 HD21 LEU 59 HD21 LEU 59 -6.781 9.006 0.146 456 HD22 LEU 59 HD22 LEU 59 -8.367 9.143 -0.621 457 HD23 LEU 59 HD23 LEU 59 -7.913 10.243 0.682 458 H GLU 60 H GLU 60 -3.876 9.374 -4.342 459 HA GLU 60 HA GLU 60 -4.864 7.269 -5.977 460 HB2 GLU 60 HB2 GLU 60 -3.902 9.354 -6.926 461 HB3 GLU 60 HB3 GLU 60 -2.318 8.925 -6.276 462 HG2 GLU 60 HG2 GLU 60 -2.405 6.822 -7.698 463 HG3 GLU 60 HG3 GLU 60 -3.863 7.468 -8.449 464 H LEU 61 H LEU 61 -1.773 7.690 -4.162 465 HA LEU 61 HA LEU 61 -0.581 5.244 -4.921 466 HB2 LEU 61 HB2 LEU 61 -0.182 6.909 -2.405 467 HB3 LEU 61 HB3 LEU 61 0.848 5.553 -2.854 468 HG LEU 61 HG LEU 61 0.519 8.111 -4.473 469 HD11 LEU 61 HD11 LEU 61 2.793 8.637 -3.766 470 HD12 LEU 61 HD12 LEU 61 2.833 7.192 -2.752 471 HD13 LEU 61 HD13 LEU 61 1.711 8.506 -2.383 472 HD21 LEU 61 HD21 LEU 61 0.997 6.199 -5.924 473 HD22 LEU 61 HD22 LEU 61 2.377 5.744 -4.916 474 HD23 LEU 61 HD23 LEU 61 2.396 7.262 -5.821 475 H GLU 62 H GLU 62 -2.637 6.098 -2.181 476 HA GLU 62 HA GLU 62 -2.716 3.615 -0.832 477 HB2 GLU 62 HB2 GLU 62 -3.365 5.714 0.242 478 HB3 GLU 62 HB3 GLU 62 -4.670 5.951 -0.916 479 HG2 GLU 62 HG2 GLU 62 -5.799 3.921 0.008 480 HG3 GLU 62 HG3 GLU 62 -4.517 3.799 1.218 481 H ASN 63 H ASN 63 -4.681 5.015 -3.420 482 HA ASN 63 HA ASN 63 -6.726 3.071 -3.609 483 HB2 ASN 63 HB2 ASN 63 -6.882 5.354 -4.581 484 HB3 ASN 63 HB3 ASN 63 -5.599 4.973 -5.720 485 HD21 ASN 63 HD21 ASN 63 -8.943 4.508 -4.910 486 HD22 ASN 63 HD22 ASN 63 -9.422 3.859 -6.433 487 H GLN 64 H GLN 64 -3.613 3.446 -5.267 488 HA GLN 64 HA GLN 64 -3.800 1.193 -7.008 489 HB2 GLN 64 HB2 GLN 64 -1.366 2.754 -6.017 490 HB3 GLN 64 HB3 GLN 64 -1.314 1.547 -7.302 491 HG2 GLN 64 HG2 GLN 64 -2.674 2.917 -8.736 492 HG3 GLN 64 HG3 GLN 64 -2.969 4.078 -7.443 493 HE21 GLN 64 HE21 GLN 64 -1.258 5.468 -6.796 494 HE22 GLN 64 HE22 GLN 64 0.113 5.744 -7.802 495 H PHE 65 H PHE 65 -2.566 1.755 -3.776 496 HA PHE 65 HA PHE 65 -1.073 -0.636 -3.445 497 HB2 PHE 65 HB2 PHE 65 -0.376 1.091 -2.037 498 HB3 PHE 65 HB3 PHE 65 -2.008 1.647 -1.716 499 HD1 PHE 65 HD1 PHE 65 -2.287 1.721 0.580 500 HD2 PHE 65 HD2 PHE 65 -0.341 -1.697 -1.125 501 HE1 PHE 65 HE1 PHE 65 -2.195 0.654 2.779 502 HE2 PHE 65 HE2 PHE 65 -0.275 -2.746 1.086 503 HZ PHE 65 HZ PHE 65 -1.201 -1.575 3.032 504 H ASN 66 H ASN 66 -4.366 0.327 -2.435 505 HA ASN 66 HA ASN 66 -4.988 -2.161 -1.165 506 HB2 ASN 66 HB2 ASN 66 -6.793 0.125 -2.069 507 HB3 ASN 66 HB3 ASN 66 -7.365 -1.273 -1.162 508 HD21 ASN 66 HD21 ASN 66 -8.055 0.092 0.511 509 HD22 ASN 66 HD22 ASN 66 -6.952 0.843 1.608 510 H GLU 67 H GLU 67 -5.323 -0.896 -4.422 511 HA GLU 67 HA GLU 67 -7.008 -2.906 -5.512 512 HB2 GLU 67 HB2 GLU 67 -6.585 -0.705 -6.608 513 HB3 GLU 67 HB3 GLU 67 -4.911 -1.162 -6.886 514 HG2 GLU 67 HG2 GLU 67 -6.243 -1.377 -8.935 515 HG3 GLU 67 HG3 GLU 67 -5.622 -2.945 -8.415 516 H THR 68 H THR 68 -3.455 -2.482 -5.484 517 HA THR 68 HA THR 68 -2.719 -4.801 -6.872 518 HB THR 68 HB THR 68 -1.130 -3.202 -4.806 519 HG1 THR 68 HG1 THR 68 -1.082 -1.831 -6.398 520 HG21 THR 68 HG21 THR 68 -0.123 -5.220 -6.853 521 HG22 THR 68 HG22 THR 68 -0.077 -5.421 -5.100 522 HG23 THR 68 HG23 THR 68 0.905 -4.172 -5.871 523 H ASN 69 H ASN 69 -2.915 -4.154 -3.362 524 HA ASN 69 HA ASN 69 -2.035 -6.597 -2.379 525 HB2 ASN 69 HB2 ASN 69 -2.292 -4.609 -0.947 526 HB3 ASN 69 HB3 ASN 69 -4.043 -4.674 -1.128 527 HD21 ASN 69 HD21 ASN 69 -1.450 -6.999 -0.284 528 HD22 ASN 69 HD22 ASN 69 -2.234 -7.607 1.129 529 H ARG 70 H ARG 70 -5.353 -5.562 -3.197 530 HA ARG 70 HA ARG 70 -6.665 -7.899 -2.280 531 HB2 ARG 70 HB2 ARG 70 -7.787 -5.706 -2.650 532 HB3 ARG 70 HB3 ARG 70 -7.609 -5.913 -4.390 533 HG2 ARG 70 HG2 ARG 70 -9.174 -7.729 -4.442 534 HG3 ARG 70 HG3 ARG 70 -9.105 -7.939 -2.692 535 HD2 ARG 70 HD2 ARG 70 -10.311 -5.558 -4.138 536 HD3 ARG 70 HD3 ARG 70 -11.216 -6.885 -3.403 537 HE ARG 70 HE ARG 70 -9.553 -5.759 -1.443 538 HH11 ARG 70 HH11 ARG 70 -12.388 -4.801 -3.303 539 HH12 ARG 70 HH12 ARG 70 -12.959 -3.712 -2.080 540 HH21 ARG 70 HH21 ARG 70 -10.313 -4.325 0.135 541 HH22 ARG 70 HH22 ARG 70 -11.782 -3.443 -0.132 542 H LEU 71 H LEU 71 -5.443 -6.928 -5.506 543 HA LEU 71 HA LEU 71 -6.344 -9.160 -6.977 544 HB2 LEU 71 HB2 LEU 71 -3.953 -7.334 -7.431 545 HB3 LEU 71 HB3 LEU 71 -4.486 -8.534 -8.603 546 HG LEU 71 HG LEU 71 -6.128 -6.147 -7.656 547 HD11 LEU 71 HD11 LEU 71 -4.738 -6.594 -10.314 548 HD12 LEU 71 HD12 LEU 71 -4.246 -5.457 -9.054 549 HD13 LEU 71 HD13 LEU 71 -5.779 -5.227 -9.889 550 HD21 LEU 71 HD21 LEU 71 -6.770 -8.225 -9.774 551 HD22 LEU 71 HD22 LEU 71 -7.710 -6.769 -9.432 552 HD23 LEU 71 HD23 LEU 71 -7.572 -8.031 -8.212 553 H LEU 72 H LEU 72 -3.499 -8.685 -4.955 554 HA LEU 72 HA LEU 72 -2.108 -11.071 -5.635 555 HB2 LEU 72 HB2 LEU 72 -2.099 -9.551 -3.008 556 HB3 LEU 72 HB3 LEU 72 -0.930 -10.778 -3.479 557 HG LEU 72 HG LEU 72 -1.292 -8.076 -4.808 558 HD11 LEU 72 HD11 LEU 72 -0.347 -7.937 -2.553 559 HD12 LEU 72 HD12 LEU 72 0.816 -7.483 -3.799 560 HD13 LEU 72 HD13 LEU 72 0.932 -9.066 -3.021 561 HD21 LEU 72 HD21 LEU 72 0.728 -8.624 -6.078 562 HD22 LEU 72 HD22 LEU 72 -0.571 -9.759 -6.426 563 HD23 LEU 72 HD23 LEU 72 0.752 -10.241 -5.362 564 H HIS 73 H HIS 73 -4.400 -10.254 -3.000 565 HA HIS 73 HA HIS 73 -4.421 -12.769 -1.730 566 HB2 HIS 73 HB2 HIS 73 -6.513 -10.553 -1.759 567 HB3 HIS 73 HB3 HIS 73 -6.705 -12.010 -0.795 568 HD1 HIS 73 HD1 HIS 73 -4.581 -12.403 0.960 569 HD2 HIS 73 HD2 HIS 73 -5.289 -8.550 -0.390 570 HE1 HIS 73 HE1 HIS 73 -3.387 -10.873 2.562 571 HE2 HIS 73 HE2 HIS 73 -4.151 -8.573 1.905 572 H ILE 74 H ILE 74 -6.241 -11.515 -4.458 573 HA ILE 74 HA ILE 74 -8.071 -13.650 -4.809 574 HB ILE 74 HB ILE 74 -6.918 -11.650 -6.812 575 HG12 ILE 74 HG12 ILE 74 -9.662 -11.696 -5.464 576 HG13 ILE 74 HG13 ILE 74 -8.304 -10.728 -4.910 577 HG21 ILE 74 HG21 ILE 74 -7.704 -13.615 -8.064 578 HG22 ILE 74 HG22 ILE 74 -8.785 -12.249 -8.333 579 HG23 ILE 74 HG23 ILE 74 -9.263 -13.546 -7.236 580 HD11 ILE 74 HD11 ILE 74 -8.330 -9.483 -7.026 581 HD12 ILE 74 HD12 ILE 74 -9.859 -9.377 -6.157 582 HD13 ILE 74 HD13 ILE 74 -9.720 -10.435 -7.561 583 H LYS 75 H LYS 75 -4.868 -12.968 -6.250 584 HA LYS 75 HA LYS 75 -4.775 -15.198 -7.992 585 HB2 LYS 75 HB2 LYS 75 -3.427 -13.083 -8.231 586 HB3 LYS 75 HB3 LYS 75 -2.434 -13.604 -6.873 587 HG2 LYS 75 HG2 LYS 75 -1.867 -15.689 -8.237 588 HG3 LYS 75 HG3 LYS 75 -2.671 -14.916 -9.600 589 HD2 LYS 75 HD2 LYS 75 -0.336 -14.521 -9.878 590 HD3 LYS 75 HD3 LYS 75 -1.028 -12.988 -9.351 591 HE2 LYS 75 HE2 LYS 75 0.326 -14.937 -7.447 592 HE3 LYS 75 HE3 LYS 75 1.191 -13.648 -8.280 593 HZ1 LYS 75 HZ1 LYS 75 -0.308 -12.048 -7.206 594 HZ2 LYS 75 HZ2 LYS 75 0.602 -12.941 -6.097 595 HZ3 LYS 75 HZ3 LYS 75 -1.026 -13.312 -6.333 596 H GLN 76 H GLN 76 -3.499 -14.735 -4.680 597 HA GLN 76 HA GLN 76 -2.067 -17.214 -4.591 598 HB2 GLN 76 HB2 GLN 76 -1.734 -16.790 -2.203 599 HB3 GLN 76 HB3 GLN 76 -1.419 -15.328 -3.126 600 HG2 GLN 76 HG2 GLN 76 -3.569 -14.399 -2.465 601 HG3 GLN 76 HG3 GLN 76 -3.982 -15.878 -1.603 602 HE21 GLN 76 HE21 GLN 76 -0.709 -14.614 -1.413 603 HE22 GLN 76 HE22 GLN 76 -0.841 -14.046 0.209 604 H HIS 77 H HIS 77 -5.320 -16.148 -3.697 605 HA HIS 77 HA HIS 77 -6.190 -18.399 -2.251 606 HB2 HIS 77 HB2 HIS 77 -7.422 -16.246 -2.293 607 HB3 HIS 77 HB3 HIS 77 -7.804 -16.476 -3.994 608 HD1 HIS 77 HD1 HIS 77 -8.741 -17.673 -0.557 609 HD2 HIS 77 HD2 HIS 77 -9.943 -18.223 -4.494 610 HE1 HIS 77 HE1 HIS 77 -10.969 -18.817 -0.427 611 HE2 HIS 77 HE2 HIS 77 -11.697 -19.080 -2.822 612 H GLU 78 H GLU 78 -6.081 -17.714 -5.726 613 HA GLU 78 HA GLU 78 -7.454 -19.956 -6.723 614 HB2 GLU 78 HB2 GLU 78 -5.079 -18.536 -8.002 615 HB3 GLU 78 HB3 GLU 78 -6.264 -19.536 -8.838 616 HG2 GLU 78 HG2 GLU 78 -6.894 -16.922 -7.439 617 HG3 GLU 78 HG3 GLU 78 -6.564 -17.071 -9.161 618 H GLU 79 H GLU 79 -4.041 -19.484 -5.816 619 HA GLU 79 HA GLU 79 -3.078 -22.054 -6.542 620 HB2 GLU 79 HB2 GLU 79 -1.976 -20.230 -4.361 621 HB3 GLU 79 HB3 GLU 79 -1.113 -21.542 -5.163 622 HG2 GLU 79 HG2 GLU 79 -2.035 -18.937 -6.421 623 HG3 GLU 79 HG3 GLU 79 -0.377 -19.376 -6.013 624 H VAL 80 H VAL 80 -4.260 -20.702 -3.481 625 HA VAL 80 HA VAL 80 -3.593 -22.744 -1.722 626 HB VAL 80 HB VAL 80 -5.830 -20.672 -1.581 627 HG11 VAL 80 HG11 VAL 80 -4.862 -22.465 0.683 628 HG12 VAL 80 HG12 VAL 80 -6.462 -22.500 -0.059 629 HG13 VAL 80 HG13 VAL 80 -5.953 -21.087 0.868 630 HG21 VAL 80 HG21 VAL 80 -3.097 -20.746 -0.238 631 HG22 VAL 80 HG22 VAL 80 -4.292 -19.456 -0.072 632 HG23 VAL 80 HG23 VAL 80 -3.530 -19.758 -1.631 633 H GLU 81 H GLU 81 -6.645 -22.261 -3.524 634 HA GLU 81 HA GLU 81 -8.044 -24.344 -2.211 635 HB2 GLU 81 HB2 GLU 81 -8.689 -23.140 -4.925 636 HB3 GLU 81 HB3 GLU 81 -9.791 -24.054 -3.901 637 HG2 GLU 81 HG2 GLU 81 -8.687 -21.278 -3.457 638 HG3 GLU 81 HG3 GLU 81 -10.367 -21.759 -3.655 639 H LYS 82 H LYS 82 -6.172 -24.329 -5.274 640 HA LYS 82 HA LYS 82 -6.926 -27.060 -5.877 641 HB2 LYS 82 HB2 LYS 82 -5.361 -26.915 -7.790 642 HB3 LYS 82 HB3 LYS 82 -6.538 -25.618 -7.762 643 HG2 LYS 82 HG2 LYS 82 -4.570 -24.558 -8.440 644 HG3 LYS 82 HG3 LYS 82 -4.680 -24.168 -6.721 645 HD2 LYS 82 HD2 LYS 82 -3.025 -25.958 -6.213 646 HD3 LYS 82 HD3 LYS 82 -2.924 -26.358 -7.930 647 HE2 LYS 82 HE2 LYS 82 -1.927 -24.219 -8.430 648 HE3 LYS 82 HE3 LYS 82 -2.214 -23.640 -6.786 649 HZ1 LYS 82 HZ1 LYS 82 -0.682 -25.278 -5.956 650 HZ2 LYS 82 HZ2 LYS 82 0.069 -24.334 -7.140 651 HZ3 LYS 82 HZ3 LYS 82 -0.442 -25.903 -7.513 652 H ASP 83 H ASP 83 -4.398 -25.530 -4.030 653 HA ASP 83 HA ASP 83 -2.725 -27.887 -3.815 654 HB2 ASP 83 HB2 ASP 83 -2.791 -25.256 -2.298 655 HB3 ASP 83 HB3 ASP 83 -1.744 -26.577 -1.783 656 H LYS 84 H LYS 84 -5.474 -26.550 -2.066 657 HA LYS 84 HA LYS 84 -5.568 -28.426 0.068 658 HB2 LYS 84 HB2 LYS 84 -7.848 -26.971 -1.354 659 HB3 LYS 84 HB3 LYS 84 -8.017 -27.872 0.153 660 HG2 LYS 84 HG2 LYS 84 -6.534 -26.303 1.304 661 HG3 LYS 84 HG3 LYS 84 -6.243 -25.431 -0.202 662 HD2 LYS 84 HD2 LYS 84 -7.873 -24.234 1.169 663 HD3 LYS 84 HD3 LYS 84 -8.636 -24.819 -0.315 664 HE2 LYS 84 HE2 LYS 84 -10.085 -25.159 1.661 665 HE3 LYS 84 HE3 LYS 84 -9.637 -26.701 0.927 666 HZ1 LYS 84 HZ1 LYS 84 -8.018 -27.049 2.636 667 HZ2 LYS 84 HZ2 LYS 84 -9.491 -26.673 3.374 668 HZ3 LYS 84 HZ3 LYS 84 -8.271 -25.508 3.284 669 H LYS 85 H LYS 85 -6.880 -28.349 -3.211 670 HA LYS 85 HA LYS 85 -8.046 -31.018 -3.097 671 HB2 LYS 85 HB2 LYS 85 -7.890 -28.897 -5.276 672 HB3 LYS 85 HB3 LYS 85 -8.685 -30.453 -5.498 673 HG2 LYS 85 HG2 LYS 85 -10.258 -29.888 -3.662 674 HG3 LYS 85 HG3 LYS 85 -9.483 -28.304 -3.505 675 HD2 LYS 85 HD2 LYS 85 -10.125 -27.751 -5.826 676 HD3 LYS 85 HD3 LYS 85 -10.852 -29.350 -6.019 677 HE2 LYS 85 HE2 LYS 85 -11.782 -27.268 -4.005 678 HE3 LYS 85 HE3 LYS 85 -12.530 -27.548 -5.579 679 HZ1 LYS 85 HZ1 LYS 85 -13.040 -29.818 -4.889 680 HZ2 LYS 85 HZ2 LYS 85 -13.720 -28.691 -3.831 681 HZ3 LYS 85 HZ3 LYS 85 -12.332 -29.536 -3.377 682 H ALA 86 H ALA 86 -4.961 -30.296 -3.199 683 HA ALA 86 HA ALA 86 -3.947 -31.358 -5.641 684 HB1 ALA 86 HB1 ALA 86 -1.752 -31.280 -4.484 685 HB2 ALA 86 HB2 ALA 86 -2.572 -30.919 -2.966 686 HB3 ALA 86 HB3 ALA 86 -2.654 -29.776 -4.306 687 H LYS 87 H LYS 87 -5.086 -33.357 -5.854 688 HA LYS 87 HA LYS 87 -4.517 -35.512 -3.921 689 HB2 LYS 87 HB2 LYS 87 -6.922 -34.857 -4.414 690 HB3 LYS 87 HB3 LYS 87 -6.686 -35.411 -6.066 691 HG2 LYS 87 HG2 LYS 87 -7.847 -37.100 -4.731 692 HG3 LYS 87 HG3 LYS 87 -6.270 -37.704 -5.254 693 HD2 LYS 87 HD2 LYS 87 -5.333 -37.187 -3.010 694 HD3 LYS 87 HD3 LYS 87 -6.905 -36.572 -2.494 695 HE2 LYS 87 HE2 LYS 87 -6.364 -39.433 -3.360 696 HE3 LYS 87 HE3 LYS 87 -6.443 -38.880 -1.688 697 HZ1 LYS 87 HZ1 LYS 87 -8.739 -38.264 -2.008 698 HZ2 LYS 87 HZ2 LYS 87 -8.525 -39.883 -2.438 699 HZ3 LYS 87 HZ3 LYS 87 -8.678 -38.706 -3.638 700 H GLN 88 H GLN 88 -4.505 -34.717 -7.394 701 HA GLN 88 HA GLN 88 -3.024 -37.060 -8.212 702 HB2 GLN 88 HB2 GLN 88 -4.399 -35.923 -9.865 703 HB3 GLN 88 HB3 GLN 88 -3.577 -34.392 -9.585 704 HG2 GLN 88 HG2 GLN 88 -1.532 -35.242 -10.582 705 HG3 GLN 88 HG3 GLN 88 -2.221 -36.855 -10.724 706 HE21 GLN 88 HE21 GLN 88 -3.687 -37.277 -12.390 707 HE22 GLN 88 HE22 GLN 88 -3.912 -36.197 -13.719 708 H GLN 89 H GLN 89 -2.255 -33.691 -7.366 709 HA GLN 89 HA GLN 89 0.585 -33.868 -7.563 710 HB2 GLN 89 HB2 GLN 89 -0.988 -31.774 -7.316 711 HB3 GLN 89 HB3 GLN 89 -0.915 -32.089 -5.596 712 HG2 GLN 89 HG2 GLN 89 1.424 -31.367 -7.397 713 HG3 GLN 89 HG3 GLN 89 0.610 -30.288 -6.276 714 HE21 GLN 89 HE21 GLN 89 0.913 -30.682 -3.974 715 HE22 GLN 89 HE22 GLN 89 2.327 -31.504 -3.416 716 H LYS 90 H LYS 90 2.055 -34.699 -6.095 717 HA LYS 90 HA LYS 90 1.222 -36.497 -4.051 718 HB2 LYS 90 HB2 LYS 90 3.256 -36.813 -5.423 719 HB3 LYS 90 HB3 LYS 90 3.998 -35.409 -4.666 720 HG2 LYS 90 HG2 LYS 90 4.141 -36.528 -2.531 721 HG3 LYS 90 HG3 LYS 90 3.132 -37.861 -3.094 722 HD2 LYS 90 HD2 LYS 90 5.937 -37.212 -4.109 723 HD3 LYS 90 HD3 LYS 90 5.515 -38.508 -2.986 724 HE2 LYS 90 HE2 LYS 90 4.056 -39.506 -4.788 725 HE3 LYS 90 HE3 LYS 90 4.669 -38.281 -5.898 726 HZ1 LYS 90 HZ1 LYS 90 6.920 -39.149 -5.483 727 HZ2 LYS 90 HZ2 LYS 90 5.890 -40.291 -6.181 728 HZ3 LYS 90 HZ3 LYS 90 6.258 -40.387 -4.535 729 H THR 91 H THR 91 0.133 -35.506 -2.444 730 HA THR 91 HA THR 91 1.486 -33.489 -0.738 731 HB THR 91 HB THR 91 -1.494 -33.716 -1.394 732 HG1 THR 91 HG1 THR 91 -0.149 -32.731 -3.012 733 HG21 THR 91 HG21 THR 91 -1.778 -31.648 -0.056 734 HG22 THR 91 HG22 THR 91 -0.082 -31.718 0.427 735 HG23 THR 91 HG23 THR 91 -1.203 -32.979 0.952 736 H LEU 92 H LEU 92 1.848 -34.246 1.288 737 HA LEU 92 HA LEU 92 0.839 -36.756 2.220 738 HB2 LEU 92 HB2 LEU 92 3.088 -35.587 2.823 739 HB3 LEU 92 HB3 LEU 92 2.166 -34.642 3.976 740 HG LEU 92 HG LEU 92 2.281 -37.694 4.052 741 HD11 LEU 92 HD11 LEU 92 4.032 -35.756 5.591 742 HD12 LEU 92 HD12 LEU 92 4.551 -36.852 4.306 743 HD13 LEU 92 HD13 LEU 92 3.959 -37.506 5.830 744 HD21 LEU 92 HD21 LEU 92 1.554 -37.460 6.393 745 HD22 LEU 92 HD22 LEU 92 0.376 -36.766 5.284 746 HD23 LEU 92 HD23 LEU 92 1.451 -35.706 6.197 747 H LYS 93 H LYS 93 -1.137 -37.062 2.965 748 HA LYS 93 HA LYS 93 -3.184 -36.859 3.849 749 HB2 LYS 93 HB2 LYS 93 -1.995 -36.353 5.930 750 HB3 LYS 93 HB3 LYS 93 -1.880 -34.652 5.488 751 HG2 LYS 93 HG2 LYS 93 -4.368 -34.469 5.631 752 HG3 LYS 93 HG3 LYS 93 -4.438 -36.166 6.119 753 HD2 LYS 93 HD2 LYS 93 -4.600 -34.635 8.061 754 HD3 LYS 93 HD3 LYS 93 -3.177 -35.676 8.156 755 HE2 LYS 93 HE2 LYS 93 -2.664 -33.347 8.825 756 HE3 LYS 93 HE3 LYS 93 -1.743 -33.820 7.399 757 HZ1 LYS 93 HZ1 LYS 93 -4.209 -32.151 7.409 758 HZ2 LYS 93 HZ2 LYS 93 -3.354 -32.624 6.026 759 HZ3 LYS 93 HZ3 LYS 93 -2.627 -31.608 7.161 760 H GLN 94 H GLN 94 -4.073 -36.262 1.837 761 HA GLN 94 HA GLN 94 -4.662 -33.436 1.319 762 HB2 GLN 94 HB2 GLN 94 -3.985 -34.986 -0.560 763 HB3 GLN 94 HB3 GLN 94 -5.472 -35.894 -0.317 764 HG2 GLN 94 HG2 GLN 94 -5.497 -32.931 -0.972 765 HG3 GLN 94 HG3 GLN 94 -5.395 -34.152 -2.234 766 HE21 GLN 94 HE21 GLN 94 -7.489 -32.155 -1.700 767 HE22 GLN 94 HE22 GLN 94 -8.964 -33.030 -1.542 768 H SER 95 H SER 95 -6.471 -32.541 2.022 769 HA SER 95 HA SER 95 -8.991 -33.921 2.303 770 HB2 SER 95 HB2 SER 95 -7.833 -34.545 4.440 771 HB3 SER 95 HB3 SER 95 -7.617 -32.840 4.816 772 HG SER 95 HG SER 95 -9.803 -32.624 5.049 773 H ASP 96 H ASP 96 -9.453 -32.342 0.717 774 HA ASP 96 HA ASP 96 -9.278 -29.507 1.357 775 HB2 ASP 96 HB2 ASP 96 -10.058 -29.059 -0.848 776 HB3 ASP 96 HB3 ASP 96 -8.987 -30.440 -1.007 777 H THR 97 H THR 97 -11.490 -32.001 1.969 778 HA THR 97 HA THR 97 -14.008 -30.940 1.462 779 HB THR 97 HB THR 97 -14.797 -32.670 3.166 780 HG1 THR 97 HG1 THR 97 -12.668 -32.428 4.361 781 HG21 THR 97 HG21 THR 97 -13.997 -34.638 1.879 782 HG22 THR 97 HG22 THR 97 -12.780 -33.631 1.094 783 HG23 THR 97 HG23 THR 97 -14.495 -33.329 0.805 784 H LYS 98 H LYS 98 -13.998 -28.773 2.093 785 HA LYS 98 HA LYS 98 -14.048 -28.078 4.959 786 HB2 LYS 98 HB2 LYS 98 -12.560 -26.716 3.516 787 HB3 LYS 98 HB3 LYS 98 -13.899 -26.344 2.438 788 HG2 LYS 98 HG2 LYS 98 -13.344 -24.448 3.916 789 HG3 LYS 98 HG3 LYS 98 -14.994 -25.021 4.177 790 HD2 LYS 98 HD2 LYS 98 -14.306 -26.191 6.227 791 HD3 LYS 98 HD3 LYS 98 -12.614 -25.771 5.941 792 HE2 LYS 98 HE2 LYS 98 -13.144 -23.386 6.246 793 HE3 LYS 98 HE3 LYS 98 -14.851 -23.783 6.470 794 HZ1 LYS 98 HZ1 LYS 98 -14.277 -25.022 8.449 795 HZ2 LYS 98 HZ2 LYS 98 -13.715 -23.432 8.572 796 HZ3 LYS 98 HZ3 LYS 98 -12.635 -24.688 8.226 797 H VAL 99 H VAL 99 -15.844 -27.749 1.929 798 HA VAL 99 HA VAL 99 -18.394 -27.512 3.410 799 HB VAL 99 HB VAL 99 -19.231 -26.187 1.353 800 HG11 VAL 99 HG11 VAL 99 -18.845 -25.103 3.525 801 HG12 VAL 99 HG12 VAL 99 -18.367 -24.020 2.218 802 HG13 VAL 99 HG13 VAL 99 -17.135 -24.887 3.141 803 HG21 VAL 99 HG21 VAL 99 -17.364 -26.685 -0.211 804 HG22 VAL 99 HG22 VAL 99 -16.245 -25.805 0.831 805 HG23 VAL 99 HG23 VAL 99 -17.552 -24.943 0.014 Start of MODEL 10 1 H2 GLY 1 H2 GLY 1 -5.818 0.529 8.732 2 H GLY 1 H1 GLY 1 -4.504 1.237 7.947 3 H3 GLY 1 H3 GLY 1 -4.329 0.655 9.521 4 HA2 GLY 1 HA2 GLY 1 -5.935 2.305 10.309 5 HA3 GLY 1 HA3 GLY 1 -4.483 3.015 9.615 6 H VAL 2 H VAL 2 -5.781 4.925 9.372 7 HA VAL 2 HA VAL 2 -6.891 6.497 8.242 8 HB VAL 2 HB VAL 2 -6.800 4.774 5.738 9 HG11 VAL 2 HG11 VAL 2 -8.096 6.846 5.539 10 HG12 VAL 2 HG12 VAL 2 -6.616 6.969 4.584 11 HG13 VAL 2 HG13 VAL 2 -6.728 7.785 6.145 12 HG21 VAL 2 HG21 VAL 2 -4.539 4.710 6.704 13 HG22 VAL 2 HG22 VAL 2 -4.527 6.471 6.839 14 HG23 VAL 2 HG23 VAL 2 -4.560 5.708 5.247 15 H GLU 3 H GLU 3 -8.812 6.361 9.352 16 HA GLU 3 HA GLU 3 -11.013 4.739 8.211 17 HB2 GLU 3 HB2 GLU 3 -10.707 6.061 10.942 18 HB3 GLU 3 HB3 GLU 3 -12.154 5.203 10.411 19 HG2 GLU 3 HG2 GLU 3 -10.849 3.123 10.189 20 HG3 GLU 3 HG3 GLU 3 -9.392 3.974 10.704 21 H LYS 4 H LYS 4 -9.830 7.525 7.445 22 HA LYS 4 HA LYS 4 -10.411 9.652 6.978 23 HB2 LYS 4 HB2 LYS 4 -12.354 9.810 5.340 24 HB3 LYS 4 HB3 LYS 4 -11.080 8.677 4.931 25 HG2 LYS 4 HG2 LYS 4 -12.435 6.787 5.403 26 HG3 LYS 4 HG3 LYS 4 -13.614 7.744 6.294 27 HD2 LYS 4 HD2 LYS 4 -13.139 7.934 3.291 28 HD3 LYS 4 HD3 LYS 4 -14.433 7.007 4.055 29 HE2 LYS 4 HE2 LYS 4 -15.277 9.150 5.077 30 HE3 LYS 4 HE3 LYS 4 -14.059 10.023 4.141 31 HZ1 LYS 4 HZ1 LYS 4 -16.112 10.099 2.971 32 HZ2 LYS 4 HZ2 LYS 4 -16.321 8.424 3.072 33 HZ3 LYS 4 HZ3 LYS 4 -15.086 9.060 2.116 34 H THR 5 H THR 5 -10.691 10.509 9.041 35 HA THR 5 HA THR 5 -13.129 10.683 10.464 36 HB THR 5 HB THR 5 -12.043 12.662 11.625 37 HG1 THR 5 HG1 THR 5 -10.442 13.640 10.669 38 HG21 THR 5 HG21 THR 5 -11.587 10.381 12.456 39 HG22 THR 5 HG22 THR 5 -10.165 11.410 12.634 40 HG23 THR 5 HG23 THR 5 -10.237 10.230 11.323 41 H ALA 6 H ALA 6 -11.531 12.993 8.289 42 HA ALA 6 HA ALA 6 -13.884 13.776 6.902 43 HB1 ALA 6 HB1 ALA 6 -12.734 15.875 8.792 44 HB2 ALA 6 HB2 ALA 6 -14.319 15.113 8.932 45 HB3 ALA 6 HB3 ALA 6 -13.964 16.159 7.558 46 H GLY 7 H GLY 7 -13.344 14.825 4.990 47 HA2 GLY 7 HA2 GLY 7 -10.441 15.005 4.402 48 HA3 GLY 7 HA3 GLY 7 -11.710 14.651 3.239 49 H GLU 8 H GLU 8 -10.264 17.196 5.214 50 HA GLU 8 HA GLU 8 -11.553 19.420 3.997 51 HB2 GLU 8 HB2 GLU 8 -8.822 19.238 5.333 52 HB3 GLU 8 HB3 GLU 8 -9.612 20.748 4.876 53 HG2 GLU 8 HG2 GLU 8 -11.496 20.181 6.417 54 HG3 GLU 8 HG3 GLU 8 -10.607 18.744 6.934 55 H THR 9 H THR 9 -8.828 17.434 3.120 56 HA THR 9 HA THR 9 -7.666 17.075 1.229 57 HB THR 9 HB THR 9 -9.785 18.738 -0.212 58 HG1 THR 9 HG1 THR 9 -10.438 16.197 -0.332 59 HG21 THR 9 HG21 THR 9 -8.163 16.339 -1.148 60 HG22 THR 9 HG22 THR 9 -7.909 18.007 -1.665 61 HG23 THR 9 HG23 THR 9 -9.406 17.172 -2.082 62 H SER 10 H SER 10 -7.253 19.544 2.875 63 HA SER 10 HA SER 10 -6.278 21.586 1.026 64 HB2 SER 10 HB2 SER 10 -6.406 21.590 4.075 65 HB3 SER 10 HB3 SER 10 -6.112 22.986 3.030 66 HG SER 10 HG SER 10 -8.362 21.834 2.218 67 H ALA 11 H ALA 11 -4.672 19.852 0.313 68 HA ALA 11 HA ALA 11 -2.416 19.237 2.007 69 HB1 ALA 11 HB1 ALA 11 -3.197 17.653 0.288 70 HB2 ALA 11 HB2 ALA 11 -1.508 18.094 0.029 71 HB3 ALA 11 HB3 ALA 11 -2.774 18.806 -0.976 72 H THR 12 H THR 12 -3.255 21.877 -0.024 73 HA THR 12 HA THR 12 -0.619 22.673 -0.828 74 HB THR 12 HB THR 12 -3.180 24.332 -0.777 75 HG1 THR 12 HG1 THR 12 -2.189 22.381 -2.554 76 HG21 THR 12 HG21 THR 12 -1.094 25.671 -1.132 77 HG22 THR 12 HG22 THR 12 -2.138 25.656 -2.552 78 HG23 THR 12 HG23 THR 12 -0.698 24.638 -2.515 79 H ASP 13 H ASP 13 -2.884 23.651 1.764 80 HA ASP 13 HA ASP 13 -1.247 25.774 2.781 81 HB2 ASP 13 HB2 ASP 13 -3.690 25.738 3.191 82 HB3 ASP 13 HB3 ASP 13 -3.525 24.259 4.130 83 H THR 14 H THR 14 0.645 25.439 3.668 84 HA THR 14 HA THR 14 1.527 22.819 4.504 85 HB THR 14 HB THR 14 3.794 23.969 4.610 86 HG1 THR 14 HG1 THR 14 3.203 26.207 3.288 87 HG21 THR 14 HG21 THR 14 3.075 22.900 2.493 88 HG22 THR 14 HG22 THR 14 4.037 24.347 2.185 89 HG23 THR 14 HG23 THR 14 2.284 24.405 1.999 90 H GLY 15 H GLY 15 3.381 23.106 6.353 91 HA2 GLY 15 HA2 GLY 15 3.929 23.403 8.533 92 HA3 GLY 15 HA3 GLY 15 2.900 24.822 8.549 93 H LYS 16 H LYS 16 0.701 24.585 9.075 94 HA LYS 16 HA LYS 16 0.217 23.207 11.416 95 HB2 LYS 16 HB2 LYS 16 -1.703 24.439 9.422 96 HB3 LYS 16 HB3 LYS 16 -2.198 23.876 11.019 97 HG2 LYS 16 HG2 LYS 16 -0.761 25.496 12.107 98 HG3 LYS 16 HG3 LYS 16 -0.069 25.989 10.561 99 HD2 LYS 16 HD2 LYS 16 -1.743 27.584 11.456 100 HD3 LYS 16 HD3 LYS 16 -2.152 26.956 9.862 101 HE2 LYS 16 HE2 LYS 16 -4.115 27.111 11.384 102 HE3 LYS 16 HE3 LYS 16 -3.818 25.466 10.829 103 HZ1 LYS 16 HZ1 LYS 16 -3.071 26.582 13.478 104 HZ2 LYS 16 HZ2 LYS 16 -2.729 25.016 12.960 105 HZ3 LYS 16 HZ3 LYS 16 -4.330 25.503 13.171 106 H ARG 17 H ARG 17 -1.047 22.511 8.169 107 HA ARG 17 HA ARG 17 -2.590 20.232 9.026 108 HB2 ARG 17 HB2 ARG 17 -2.020 21.236 6.214 109 HB3 ARG 17 HB3 ARG 17 -3.284 20.091 6.676 110 HG2 ARG 17 HG2 ARG 17 -4.381 21.845 8.026 111 HG3 ARG 17 HG3 ARG 17 -3.113 22.994 7.569 112 HD2 ARG 17 HD2 ARG 17 -3.771 22.764 5.205 113 HD3 ARG 17 HD3 ARG 17 -5.037 21.615 5.666 114 HE ARG 17 HE ARG 17 -5.051 24.509 6.011 115 HH11 ARG 17 HH11 ARG 17 -6.652 21.462 6.824 116 HH12 ARG 17 HH12 ARG 17 -8.129 22.234 7.285 117 HH21 ARG 17 HH21 ARG 17 -7.006 25.489 6.613 118 HH22 ARG 17 HH22 ARG 17 -8.338 24.526 7.157 119 H GLU 18 H GLU 18 0.553 20.755 7.565 120 HA GLU 18 HA GLU 18 0.955 18.167 6.478 121 HB2 GLU 18 HB2 GLU 18 3.009 20.217 7.368 122 HB3 GLU 18 HB3 GLU 18 3.379 18.752 6.460 123 HG2 GLU 18 HG2 GLU 18 1.857 19.596 4.633 124 HG3 GLU 18 HG3 GLU 18 1.742 21.122 5.515 125 H LYS 19 H LYS 19 1.339 19.452 9.700 126 HA LYS 19 HA LYS 19 2.918 17.414 10.863 127 HB2 LYS 19 HB2 LYS 19 0.767 19.154 12.157 128 HB3 LYS 19 HB3 LYS 19 2.020 18.255 13.019 129 HG2 LYS 19 HG2 LYS 19 3.760 19.625 12.049 130 HG3 LYS 19 HG3 LYS 19 2.598 20.440 11.003 131 HD2 LYS 19 HD2 LYS 19 1.485 21.373 13.064 132 HD3 LYS 19 HD3 LYS 19 2.770 20.642 14.036 133 HE2 LYS 19 HE2 LYS 19 4.444 21.995 12.819 134 HE3 LYS 19 HE3 LYS 19 3.155 22.728 11.861 135 HZ1 LYS 19 HZ1 LYS 19 3.635 23.029 14.774 136 HZ2 LYS 19 HZ2 LYS 19 2.226 23.555 14.008 137 HZ3 LYS 19 HZ3 LYS 19 3.713 24.223 13.580 138 H GLN 20 H GLN 20 -0.576 17.821 10.492 139 HA GLN 20 HA GLN 20 -1.347 15.334 11.708 140 HB2 GLN 20 HB2 GLN 20 -2.980 17.084 9.818 141 HB3 GLN 20 HB3 GLN 20 -3.602 15.914 10.980 142 HG2 GLN 20 HG2 GLN 20 -2.123 18.459 11.731 143 HG3 GLN 20 HG3 GLN 20 -3.877 18.312 11.658 144 HE21 GLN 20 HE21 GLN 20 -4.176 18.798 13.814 145 HE22 GLN 20 HE22 GLN 20 -3.725 17.738 15.103 146 H LEU 21 H LEU 21 -0.498 16.435 8.514 147 HA LEU 21 HA LEU 21 -1.560 14.321 6.947 148 HB2 LEU 21 HB2 LEU 21 -0.261 16.784 6.466 149 HB3 LEU 21 HB3 LEU 21 0.854 15.607 5.819 150 HG LEU 21 HG LEU 21 -2.049 15.942 4.972 151 HD11 LEU 21 HD11 LEU 21 -1.146 16.841 2.870 152 HD12 LEU 21 HD12 LEU 21 0.495 16.725 3.514 153 HD13 LEU 21 HD13 LEU 21 -0.670 17.830 4.249 154 HD21 LEU 21 HD21 LEU 21 -1.524 14.388 3.150 155 HD22 LEU 21 HD22 LEU 21 -1.328 13.620 4.723 156 HD23 LEU 21 HD23 LEU 21 0.094 14.138 3.813 157 H GLN 22 H GLN 22 1.590 14.890 8.527 158 HA GLN 22 HA GLN 22 3.048 12.739 7.476 159 HB2 GLN 22 HB2 GLN 22 3.307 14.166 10.146 160 HB3 GLN 22 HB3 GLN 22 4.437 12.915 9.631 161 HG2 GLN 22 HG2 GLN 22 5.094 14.254 7.707 162 HG3 GLN 22 HG3 GLN 22 3.918 15.495 8.131 163 HE21 GLN 22 HE21 GLN 22 4.289 16.756 10.013 164 HE22 GLN 22 HE22 GLN 22 5.865 16.911 10.698 165 H GLN 23 H GLN 23 0.755 12.834 10.163 166 HA GLN 23 HA GLN 23 1.205 10.259 11.211 167 HB2 GLN 23 HB2 GLN 23 -1.382 11.868 11.106 168 HB3 GLN 23 HB3 GLN 23 -1.158 10.398 12.055 169 HG2 GLN 23 HG2 GLN 23 0.685 11.549 13.306 170 HG3 GLN 23 HG3 GLN 23 0.298 13.033 12.432 171 HE21 GLN 23 HE21 GLN 23 0.177 12.453 15.320 172 HE22 GLN 23 HE22 GLN 23 -1.447 12.789 15.803 173 H TRP 24 H TRP 24 -0.900 11.406 8.576 174 HA TRP 24 HA TRP 24 -2.057 8.923 7.878 175 HB2 TRP 24 HB2 TRP 24 -2.976 11.137 7.151 176 HB3 TRP 24 HB3 TRP 24 -1.592 11.359 6.089 177 HD1 TRP 24 HD1 TRP 24 -3.349 7.953 6.216 178 HE1 TRP 24 HE1 TRP 24 -4.550 7.523 3.985 179 HE3 TRP 24 HE3 TRP 24 -2.771 12.556 4.077 180 HZ2 TRP 24 HZ2 TRP 24 -5.188 8.933 1.650 181 HZ3 TRP 24 HZ3 TRP 24 -3.719 12.940 1.835 182 HH2 TRP 24 HH2 TRP 24 -4.904 11.163 0.644 183 H LYS 25 H LYS 25 1.024 10.476 6.915 184 HA LYS 25 HA LYS 25 1.837 8.665 4.918 185 HB2 LYS 25 HB2 LYS 25 3.451 10.316 6.888 186 HB3 LYS 25 HB3 LYS 25 4.266 9.156 5.856 187 HG2 LYS 25 HG2 LYS 25 4.444 11.372 4.915 188 HG3 LYS 25 HG3 LYS 25 3.478 10.345 3.857 189 HD2 LYS 25 HD2 LYS 25 1.462 11.443 4.450 190 HD3 LYS 25 HD3 LYS 25 2.190 12.200 5.866 191 HE2 LYS 25 HE2 LYS 25 1.829 13.822 4.052 192 HE3 LYS 25 HE3 LYS 25 3.545 13.647 4.429 193 HZ1 LYS 25 HZ1 LYS 25 3.068 13.691 2.030 194 HZ2 LYS 25 HZ2 LYS 25 2.174 12.270 2.183 195 HZ3 LYS 25 HZ3 LYS 25 3.829 12.263 2.508 196 H ASN 26 H ASN 26 2.370 8.568 8.453 197 HA ASN 26 HA ASN 26 3.782 6.138 8.565 198 HB2 ASN 26 HB2 ASN 26 2.077 7.488 10.698 199 HB3 ASN 26 HB3 ASN 26 3.060 6.057 11.004 200 HD21 ASN 26 HD21 ASN 26 3.069 9.475 10.541 201 HD22 ASN 26 HD22 ASN 26 4.735 9.729 10.893 202 H ASN 27 H ASN 27 0.296 6.815 8.792 203 HA ASN 27 HA ASN 27 -0.603 4.244 9.493 204 HB2 ASN 27 HB2 ASN 27 -2.071 6.339 7.825 205 HB3 ASN 27 HB3 ASN 27 -2.823 4.956 8.607 206 HD21 ASN 27 HD21 ASN 27 -1.192 5.329 11.087 207 HD22 ASN 27 HD22 ASN 27 -1.874 6.706 11.869 208 H LEU 28 H LEU 28 -0.292 5.800 6.289 209 HA LEU 28 HA LEU 28 -1.172 3.645 4.717 210 HB2 LEU 28 HB2 LEU 28 0.680 5.960 4.044 211 HB3 LEU 28 HB3 LEU 28 0.118 4.809 2.842 212 HG LEU 28 HG LEU 28 -1.625 6.733 4.427 213 HD11 LEU 28 HD11 LEU 28 -2.025 7.844 2.287 214 HD12 LEU 28 HD12 LEU 28 -0.928 6.723 1.475 215 HD13 LEU 28 HD13 LEU 28 -0.307 7.847 2.686 216 HD21 LEU 28 HD21 LEU 28 -2.828 4.653 4.040 217 HD22 LEU 28 HD22 LEU 28 -2.433 4.711 2.318 218 HD23 LEU 28 HD23 LEU 28 -3.485 5.939 3.032 219 H LYS 29 H LYS 29 2.169 4.633 5.579 220 HA LYS 29 HA LYS 29 3.493 2.673 4.037 221 HB2 LYS 29 HB2 LYS 29 4.488 4.216 6.461 222 HB3 LYS 29 HB3 LYS 29 5.513 3.231 5.412 223 HG2 LYS 29 HG2 LYS 29 4.931 4.686 3.494 224 HG3 LYS 29 HG3 LYS 29 3.948 5.691 4.565 225 HD2 LYS 29 HD2 LYS 29 6.945 5.236 4.809 226 HD3 LYS 29 HD3 LYS 29 6.179 6.677 4.143 227 HE2 LYS 29 HE2 LYS 29 5.184 7.182 6.332 228 HE3 LYS 29 HE3 LYS 29 5.876 5.705 7.006 229 HZ1 LYS 29 HZ1 LYS 29 7.516 7.873 5.824 230 HZ2 LYS 29 HZ2 LYS 29 8.055 6.554 6.732 231 HZ3 LYS 29 HZ3 LYS 29 7.157 7.776 7.471 232 H ASN 30 H ASN 30 2.293 2.608 7.365 233 HA ASN 30 HA ASN 30 3.476 0.135 8.131 234 HB2 ASN 30 HB2 ASN 30 1.017 1.595 9.174 235 HB3 ASN 30 HB3 ASN 30 1.570 0.073 9.870 236 HD21 ASN 30 HD21 ASN 30 1.350 2.655 11.157 237 HD22 ASN 30 HD22 ASN 30 2.929 3.065 11.719 238 H ASP 31 H ASP 31 0.324 0.999 6.709 239 HA ASP 31 HA ASP 31 -0.797 -1.591 6.659 240 HB2 ASP 31 HB2 ASP 31 -1.392 0.820 4.891 241 HB3 ASP 31 HB3 ASP 31 -2.334 -0.665 4.856 242 H VAL 32 H VAL 32 1.032 0.197 4.178 243 HA VAL 32 HA VAL 32 1.044 -1.639 2.078 244 HB VAL 32 HB VAL 32 3.245 0.345 2.848 245 HG11 VAL 32 HG11 VAL 32 2.803 -0.984 0.146 246 HG12 VAL 32 HG12 VAL 32 4.116 -1.355 1.264 247 HG13 VAL 32 HG13 VAL 32 4.022 0.240 0.519 248 HG21 VAL 32 HG21 VAL 32 1.048 1.413 2.458 249 HG22 VAL 32 HG22 VAL 32 0.973 0.674 0.861 250 HG23 VAL 32 HG23 VAL 32 2.222 1.869 1.221 251 H ASP 33 H ASP 33 3.083 -1.406 4.930 252 HA ASP 33 HA ASP 33 4.973 -3.439 4.148 253 HB2 ASP 33 HB2 ASP 33 5.613 -1.477 5.526 254 HB3 ASP 33 HB3 ASP 33 4.535 -2.017 6.808 255 H ASN 34 H ASN 34 1.971 -3.343 5.983 256 HA ASN 34 HA ASN 34 2.364 -5.926 7.291 257 HB2 ASN 34 HB2 ASN 34 -0.061 -4.086 7.205 258 HB3 ASN 34 HB3 ASN 34 0.010 -5.584 8.132 259 HD21 ASN 34 HD21 ASN 34 -0.409 -2.873 9.045 260 HD22 ASN 34 HD22 ASN 34 0.837 -2.549 10.196 261 H THR 35 H THR 35 0.755 -4.669 4.448 262 HA THR 35 HA THR 35 -0.917 -6.929 3.875 263 HB THR 35 HB THR 35 -0.964 -5.895 1.526 264 HG1 THR 35 HG1 THR 35 1.076 -4.451 2.631 265 HG21 THR 35 HG21 THR 35 -2.266 -3.894 2.196 266 HG22 THR 35 HG22 THR 35 -1.665 -4.060 3.846 267 HG23 THR 35 HG23 THR 35 -2.705 -5.311 3.159 268 H ILE 36 H ILE 36 -0.602 -8.252 1.839 269 HA ILE 36 HA ILE 36 1.965 -9.606 2.049 270 HB ILE 36 HB ILE 36 0.963 -11.363 0.633 271 HG12 ILE 36 HG12 ILE 36 -1.567 -9.653 0.501 272 HG13 ILE 36 HG13 ILE 36 -0.418 -9.805 -0.823 273 HG21 ILE 36 HG21 ILE 36 -0.831 -12.111 2.142 274 HG22 ILE 36 HG22 ILE 36 -0.961 -10.486 2.819 275 HG23 ILE 36 HG23 ILE 36 0.513 -11.430 3.063 276 HD11 ILE 36 HD11 ILE 36 -2.017 -12.066 0.373 277 HD12 ILE 36 HD12 ILE 36 -0.880 -12.193 -0.973 278 HD13 ILE 36 HD13 ILE 36 -2.349 -11.234 -1.142 279 H LEU 37 H LEU 37 1.869 -6.927 0.647 280 HA LEU 37 HA LEU 37 2.081 -7.213 -2.162 281 HB2 LEU 37 HB2 LEU 37 3.428 -5.079 -0.467 282 HB3 LEU 37 HB3 LEU 37 3.051 -4.978 -2.180 283 HG LEU 37 HG LEU 37 1.112 -4.895 0.146 284 HD11 LEU 37 HD11 LEU 37 1.790 -2.828 -1.959 285 HD12 LEU 37 HD12 LEU 37 2.303 -2.815 -0.269 286 HD13 LEU 37 HD13 LEU 37 0.596 -2.651 -0.664 287 HD21 LEU 37 HD21 LEU 37 0.035 -6.191 -1.595 288 HD22 LEU 37 HD22 LEU 37 0.422 -4.962 -2.804 289 HD23 LEU 37 HD23 LEU 37 -0.704 -4.597 -1.491 290 H SER 38 H SER 38 3.928 -7.210 -3.509 291 HA SER 38 HA SER 38 6.175 -8.740 -2.784 292 HB2 SER 38 HB2 SER 38 5.435 -8.474 -5.128 293 HB3 SER 38 HB3 SER 38 5.849 -6.761 -5.085 294 HG SER 38 HG SER 38 7.428 -8.911 -5.541 295 H HIS 39 H HIS 39 8.411 -8.085 -2.537 296 HA HIS 39 HA HIS 39 8.914 -6.138 -0.611 297 HB2 HIS 39 HB2 HIS 39 10.389 -8.065 -1.043 298 HB3 HIS 39 HB3 HIS 39 10.825 -7.418 -2.616 299 HD1 HIS 39 HD1 HIS 39 11.698 -7.262 0.973 300 HD2 HIS 39 HD2 HIS 39 12.634 -5.162 -2.489 301 HE1 HIS 39 HE1 HIS 39 13.753 -5.932 1.517 302 HE2 HIS 39 HE2 HIS 39 14.180 -4.533 -0.522 303 H GLU 40 H GLU 40 9.332 -5.970 -4.137 304 HA GLU 40 HA GLU 40 10.479 -3.377 -4.272 305 HB2 GLU 40 HB2 GLU 40 8.961 -4.992 -6.357 306 HB3 GLU 40 HB3 GLU 40 9.885 -3.532 -6.711 307 HG2 GLU 40 HG2 GLU 40 11.960 -4.584 -6.181 308 HG3 GLU 40 HG3 GLU 40 11.160 -5.953 -5.412 309 H GLN 41 H GLN 41 7.096 -4.529 -4.564 310 HA GLN 41 HA GLN 41 5.807 -2.110 -5.132 311 HB2 GLN 41 HB2 GLN 41 4.787 -4.459 -3.467 312 HB3 GLN 41 HB3 GLN 41 3.772 -3.128 -4.014 313 HG2 GLN 41 HG2 GLN 41 5.203 -5.135 -5.782 314 HG3 GLN 41 HG3 GLN 41 3.478 -5.103 -5.424 315 HE21 GLN 41 HE21 GLN 41 2.198 -3.410 -6.328 316 HE22 GLN 41 HE22 GLN 41 2.729 -2.545 -7.725 317 H LYS 42 H LYS 42 6.705 -3.547 -1.998 318 HA LYS 42 HA LYS 42 5.498 -1.619 -0.348 319 HB2 LYS 42 HB2 LYS 42 7.775 -3.559 0.206 320 HB3 LYS 42 HB3 LYS 42 7.061 -2.525 1.448 321 HG2 LYS 42 HG2 LYS 42 4.853 -3.554 1.019 322 HG3 LYS 42 HG3 LYS 42 5.592 -4.626 -0.176 323 HD2 LYS 42 HD2 LYS 42 6.912 -5.729 1.557 324 HD3 LYS 42 HD3 LYS 42 6.380 -4.559 2.772 325 HE2 LYS 42 HE2 LYS 42 4.066 -5.364 2.533 326 HE3 LYS 42 HE3 LYS 42 4.581 -6.519 1.310 327 HZ1 LYS 42 HZ1 LYS 42 5.900 -7.644 2.962 328 HZ2 LYS 42 HZ2 LYS 42 4.297 -7.527 3.484 329 HZ3 LYS 42 HZ3 LYS 42 5.476 -6.505 4.137 330 H ASN 43 H ASN 43 8.900 -1.892 -1.456 331 HA ASN 43 HA ASN 43 9.886 0.410 -0.181 332 HB2 ASN 43 HB2 ASN 43 10.821 -1.173 -2.586 333 HB3 ASN 43 HB3 ASN 43 11.615 0.350 -2.194 334 HD21 ASN 43 HD21 ASN 43 11.044 -2.931 -1.108 335 HD22 ASN 43 HD22 ASN 43 12.273 -2.938 0.101 336 H GLU 44 H GLU 44 8.390 0.038 -3.381 337 HA GLU 44 HA GLU 44 8.914 2.660 -4.305 338 HB2 GLU 44 HB2 GLU 44 7.292 0.343 -5.258 339 HB3 GLU 44 HB3 GLU 44 6.763 1.910 -5.838 340 HG2 GLU 44 HG2 GLU 44 8.258 0.912 -7.459 341 HG3 GLU 44 HG3 GLU 44 9.001 2.348 -6.768 342 H PHE 45 H PHE 45 5.902 1.253 -2.893 343 HA PHE 45 HA PHE 45 4.416 3.671 -2.985 344 HB2 PHE 45 HB2 PHE 45 4.033 1.206 -1.233 345 HB3 PHE 45 HB3 PHE 45 2.909 2.560 -1.251 346 HD1 PHE 45 HD1 PHE 45 2.323 3.256 -3.889 347 HD2 PHE 45 HD2 PHE 45 3.232 -0.660 -2.418 348 HE1 PHE 45 HE1 PHE 45 1.078 2.252 -5.755 349 HE2 PHE 45 HE2 PHE 45 1.996 -1.650 -4.294 350 HZ PHE 45 HZ PHE 45 0.915 -0.198 -5.963 351 H LYS 46 H LYS 46 6.145 2.109 -0.247 352 HA LYS 46 HA LYS 46 5.503 3.980 1.737 353 HB2 LYS 46 HB2 LYS 46 7.829 2.033 1.517 354 HB3 LYS 46 HB3 LYS 46 7.551 3.004 2.961 355 HG2 LYS 46 HG2 LYS 46 5.539 1.875 3.493 356 HG3 LYS 46 HG3 LYS 46 5.355 1.233 1.866 357 HD2 LYS 46 HD2 LYS 46 5.960 -0.571 3.366 358 HD3 LYS 46 HD3 LYS 46 7.294 -0.275 2.253 359 HE2 LYS 46 HE2 LYS 46 8.164 -0.689 4.477 360 HE3 LYS 46 HE3 LYS 46 8.459 1.001 4.063 361 HZ1 LYS 46 HZ1 LYS 46 7.620 0.622 6.356 362 HZ2 LYS 46 HZ2 LYS 46 6.154 0.087 5.705 363 HZ3 LYS 46 HZ3 LYS 46 6.664 1.677 5.449 364 H THR 47 H THR 47 8.181 4.020 -0.601 365 HA THR 47 HA THR 47 9.527 6.307 0.489 366 HB THR 47 HB THR 47 9.580 5.109 -2.314 367 HG1 THR 47 HG1 THR 47 10.407 3.890 -0.438 368 HG21 THR 47 HG21 THR 47 10.315 7.466 -2.449 369 HG22 THR 47 HG22 THR 47 11.677 6.371 -2.685 370 HG23 THR 47 HG23 THR 47 11.468 7.184 -1.136 371 H LYS 48 H LYS 48 7.182 5.895 -2.212 372 HA LYS 48 HA LYS 48 7.103 8.598 -3.017 373 HB2 LYS 48 HB2 LYS 48 5.193 6.287 -3.438 374 HB3 LYS 48 HB3 LYS 48 4.843 7.891 -4.078 375 HG2 LYS 48 HG2 LYS 48 6.965 7.820 -5.362 376 HG3 LYS 48 HG3 LYS 48 7.244 6.174 -4.777 377 HD2 LYS 48 HD2 LYS 48 5.242 5.377 -5.914 378 HD3 LYS 48 HD3 LYS 48 4.787 7.026 -6.358 379 HE2 LYS 48 HE2 LYS 48 7.246 5.542 -7.353 380 HE3 LYS 48 HE3 LYS 48 5.765 5.819 -8.273 381 HZ1 LYS 48 HZ1 LYS 48 7.451 7.432 -8.869 382 HZ2 LYS 48 HZ2 LYS 48 7.602 7.929 -7.264 383 HZ3 LYS 48 HZ3 LYS 48 6.163 8.213 -8.102 384 H ILE 49 H ILE 49 5.334 6.911 -0.502 385 HA ILE 49 HA ILE 49 3.253 8.780 -0.087 386 HB ILE 49 HB ILE 49 4.517 6.745 1.799 387 HG12 ILE 49 HG12 ILE 49 1.825 6.615 0.369 388 HG13 ILE 49 HG13 ILE 49 3.296 5.946 -0.317 389 HG21 ILE 49 HG21 ILE 49 3.437 8.482 3.160 390 HG22 ILE 49 HG22 ILE 49 2.510 6.982 3.230 391 HG23 ILE 49 HG23 ILE 49 1.952 8.318 2.220 392 HD11 ILE 49 HD11 ILE 49 1.909 4.243 0.731 393 HD12 ILE 49 HD12 ILE 49 2.043 5.069 2.282 394 HD13 ILE 49 HD13 ILE 49 3.477 4.377 1.524 395 H ASP 50 H ASP 50 6.562 8.544 1.157 396 HA ASP 50 HA ASP 50 6.447 10.940 2.775 397 HB2 ASP 50 HB2 ASP 50 8.768 9.241 1.797 398 HB3 ASP 50 HB3 ASP 50 8.997 10.665 2.798 399 H GLU 51 H GLU 51 7.370 10.177 -0.546 400 HA GLU 51 HA GLU 51 8.669 12.719 -1.021 401 HB2 GLU 51 HB2 GLU 51 7.918 10.510 -2.982 402 HB3 GLU 51 HB3 GLU 51 8.914 11.912 -3.367 403 HG2 GLU 51 HG2 GLU 51 9.598 9.682 -1.426 404 HG3 GLU 51 HG3 GLU 51 10.309 9.946 -3.013 405 H THR 52 H THR 52 5.435 11.685 -1.064 406 HA THR 52 HA THR 52 4.572 13.980 -2.742 407 HB THR 52 HB THR 52 3.185 11.306 -2.245 408 HG1 THR 52 HG1 THR 52 3.833 12.205 -4.815 409 HG21 THR 52 HG21 THR 52 1.459 12.062 -3.810 410 HG22 THR 52 HG22 THR 52 2.248 13.632 -3.957 411 HG23 THR 52 HG23 THR 52 1.530 13.144 -2.419 412 H ASN 53 H ASN 53 3.845 15.601 -1.450 413 HA ASN 53 HA ASN 53 2.508 15.102 1.107 414 HB2 ASN 53 HB2 ASN 53 2.898 17.766 -0.331 415 HB3 ASN 53 HB3 ASN 53 2.410 17.540 1.345 416 HD21 ASN 53 HD21 ASN 53 4.072 18.515 2.386 417 HD22 ASN 53 HD22 ASN 53 5.731 18.067 2.238 418 H ASP 54 H ASP 54 1.772 15.691 -2.182 419 HA ASP 54 HA ASP 54 -0.714 16.920 -2.190 420 HB2 ASP 54 HB2 ASP 54 0.788 16.574 -4.168 421 HB3 ASP 54 HB3 ASP 54 0.382 14.866 -4.164 422 H SER 55 H SER 55 -2.661 16.275 -1.534 423 HA SER 55 HA SER 55 -3.108 13.859 -0.161 424 HB2 SER 55 HB2 SER 55 -4.272 15.959 0.418 425 HB3 SER 55 HB3 SER 55 -5.133 15.930 -1.120 426 HG SER 55 HG SER 55 -5.448 13.597 0.261 427 H ASP 56 H ASP 56 -3.954 14.887 -3.451 428 HA ASP 56 HA ASP 56 -5.821 12.841 -4.081 429 HB2 ASP 56 HB2 ASP 56 -4.014 14.534 -5.860 430 HB3 ASP 56 HB3 ASP 56 -5.205 13.413 -6.508 431 H ALA 57 H ALA 57 -2.336 13.150 -4.675 432 HA ALA 57 HA ALA 57 -2.092 10.639 -6.025 433 HB1 ALA 57 HB1 ALA 57 0.340 11.098 -5.991 434 HB2 ALA 57 HB2 ALA 57 0.048 12.500 -4.957 435 HB3 ALA 57 HB3 ALA 57 -0.600 12.465 -6.595 436 H LEU 58 H LEU 58 -1.850 11.645 -2.658 437 HA LEU 58 HA LEU 58 -0.696 9.189 -1.695 438 HB2 LEU 58 HB2 LEU 58 -2.228 11.410 -0.306 439 HB3 LEU 58 HB3 LEU 58 -1.633 9.998 0.554 440 HG LEU 58 HG LEU 58 0.099 12.037 -0.896 441 HD11 LEU 58 HD11 LEU 58 0.846 12.685 1.355 442 HD12 LEU 58 HD12 LEU 58 -0.315 11.559 2.072 443 HD13 LEU 58 HD13 LEU 58 -0.884 12.950 1.142 444 HD21 LEU 58 HD21 LEU 58 0.901 9.620 0.758 445 HD22 LEU 58 HD22 LEU 58 2.000 10.839 0.101 446 HD23 LEU 58 HD23 LEU 58 1.089 9.800 -0.990 447 H LEU 59 H LEU 59 -4.025 10.408 -2.080 448 HA LEU 59 HA LEU 59 -5.430 8.138 -1.136 449 HB2 LEU 59 HB2 LEU 59 -6.154 10.280 -3.168 450 HB3 LEU 59 HB3 LEU 59 -7.281 9.002 -2.738 451 HG LEU 59 HG LEU 59 -6.133 10.986 -0.735 452 HD11 LEU 59 HD11 LEU 59 -8.288 12.136 -0.809 453 HD12 LEU 59 HD12 LEU 59 -8.834 11.066 -2.104 454 HD13 LEU 59 HD13 LEU 59 -7.491 12.179 -2.380 455 HD21 LEU 59 HD21 LEU 59 -8.432 9.016 -0.489 456 HD22 LEU 59 HD22 LEU 59 -7.945 10.197 0.730 457 HD23 LEU 59 HD23 LEU 59 -6.853 8.887 0.294 458 H GLU 60 H GLU 60 -3.831 8.865 -4.163 459 HA GLU 60 HA GLU 60 -4.878 6.683 -5.690 460 HB2 GLU 60 HB2 GLU 60 -3.927 8.741 -6.720 461 HB3 GLU 60 HB3 GLU 60 -2.340 8.306 -6.093 462 HG2 GLU 60 HG2 GLU 60 -2.630 6.109 -7.458 463 HG3 GLU 60 HG3 GLU 60 -3.928 6.965 -8.291 464 H LEU 61 H LEU 61 -1.740 7.251 -3.999 465 HA LEU 61 HA LEU 61 -0.554 4.745 -4.470 466 HB2 LEU 61 HB2 LEU 61 -0.196 6.670 -2.140 467 HB3 LEU 61 HB3 LEU 61 0.840 5.275 -2.409 468 HG LEU 61 HG LEU 61 0.543 7.569 -4.386 469 HD11 LEU 61 HD11 LEU 61 2.718 8.363 -3.613 470 HD12 LEU 61 HD12 LEU 61 2.751 7.111 -2.367 471 HD13 LEU 61 HD13 LEU 61 1.531 8.388 -2.309 472 HD21 LEU 61 HD21 LEU 61 1.232 5.486 -5.450 473 HD22 LEU 61 HD22 LEU 61 2.536 5.284 -4.276 474 HD23 LEU 61 HD23 LEU 61 2.571 6.631 -5.420 475 H GLU 62 H GLU 62 -2.728 5.866 -1.939 476 HA GLU 62 HA GLU 62 -2.885 3.572 -0.332 477 HB2 GLU 62 HB2 GLU 62 -3.747 5.748 0.376 478 HB3 GLU 62 HB3 GLU 62 -4.944 5.733 -0.914 479 HG2 GLU 62 HG2 GLU 62 -6.074 3.817 0.142 480 HG3 GLU 62 HG3 GLU 62 -4.861 3.797 1.426 481 H ASN 63 H ASN 63 -4.855 4.653 -3.087 482 HA ASN 63 HA ASN 63 -6.681 2.499 -3.142 483 HB2 ASN 63 HB2 ASN 63 -7.054 4.725 -4.241 484 HB3 ASN 63 HB3 ASN 63 -5.841 4.315 -5.451 485 HD21 ASN 63 HD21 ASN 63 -7.201 4.343 -7.207 486 HD22 ASN 63 HD22 ASN 63 -8.509 3.242 -7.437 487 H GLN 64 H GLN 64 -3.511 2.967 -4.603 488 HA GLN 64 HA GLN 64 -3.685 0.860 -6.532 489 HB2 GLN 64 HB2 GLN 64 -1.318 2.474 -5.516 490 HB3 GLN 64 HB3 GLN 64 -1.160 1.227 -6.750 491 HG2 GLN 64 HG2 GLN 64 -2.610 2.482 -8.254 492 HG3 GLN 64 HG3 GLN 64 -2.878 3.713 -7.020 493 HE21 GLN 64 HE21 GLN 64 -1.105 5.067 -6.411 494 HE22 GLN 64 HE22 GLN 64 0.221 5.331 -7.484 495 H PHE 65 H PHE 65 -2.126 1.198 -3.299 496 HA PHE 65 HA PHE 65 -0.890 -1.392 -3.464 497 HB2 PHE 65 HB2 PHE 65 0.173 -0.926 -1.468 498 HB3 PHE 65 HB3 PHE 65 -0.184 0.703 -1.983 499 HD1 PHE 65 HD1 PHE 65 -1.662 2.115 -0.657 500 HD2 PHE 65 HD2 PHE 65 -1.098 -1.987 0.425 501 HE1 PHE 65 HE1 PHE 65 -2.699 2.540 1.532 502 HE2 PHE 65 HE2 PHE 65 -2.147 -1.544 2.600 503 HZ PHE 65 HZ PHE 65 -2.949 0.716 3.153 504 H ASN 66 H ASN 66 -3.863 -0.122 -2.061 505 HA ASN 66 HA ASN 66 -4.750 -2.506 -0.783 506 HB2 ASN 66 HB2 ASN 66 -6.211 -0.003 -1.728 507 HB3 ASN 66 HB3 ASN 66 -7.055 -1.333 -0.933 508 HD21 ASN 66 HD21 ASN 66 -6.483 1.516 -0.112 509 HD22 ASN 66 HD22 ASN 66 -5.792 1.381 1.465 510 H GLU 67 H GLU 67 -5.279 -1.154 -4.041 511 HA GLU 67 HA GLU 67 -7.107 -3.090 -4.995 512 HB2 GLU 67 HB2 GLU 67 -6.585 -0.873 -6.115 513 HB3 GLU 67 HB3 GLU 67 -5.046 -1.542 -6.630 514 HG2 GLU 67 HG2 GLU 67 -6.434 -1.721 -8.522 515 HG3 GLU 67 HG3 GLU 67 -6.397 -3.349 -7.851 516 H THR 68 H THR 68 -3.568 -2.839 -5.211 517 HA THR 68 HA THR 68 -2.962 -5.153 -6.665 518 HB THR 68 HB THR 68 -1.273 -3.707 -4.568 519 HG1 THR 68 HG1 THR 68 -2.063 -2.638 -6.645 520 HG21 THR 68 HG21 THR 68 -0.359 -5.981 -5.000 521 HG22 THR 68 HG22 THR 68 0.705 -4.730 -5.647 522 HG23 THR 68 HG23 THR 68 -0.347 -5.637 -6.735 523 H ASN 69 H ASN 69 -3.365 -4.577 -3.185 524 HA ASN 69 HA ASN 69 -2.449 -7.061 -2.235 525 HB2 ASN 69 HB2 ASN 69 -2.730 -5.040 -0.792 526 HB3 ASN 69 HB3 ASN 69 -4.483 -5.204 -0.916 527 HD21 ASN 69 HD21 ASN 69 -1.654 -7.222 -0.124 528 HD22 ASN 69 HD22 ASN 69 -2.373 -7.993 1.240 529 H ARG 70 H ARG 70 -5.739 -5.916 -3.052 530 HA ARG 70 HA ARG 70 -7.271 -8.166 -2.453 531 HB2 ARG 70 HB2 ARG 70 -7.588 -6.276 -4.839 532 HB3 ARG 70 HB3 ARG 70 -8.835 -7.387 -4.272 533 HG2 ARG 70 HG2 ARG 70 -9.136 -6.158 -2.246 534 HG3 ARG 70 HG3 ARG 70 -7.688 -5.191 -2.532 535 HD2 ARG 70 HD2 ARG 70 -8.823 -4.237 -4.578 536 HD3 ARG 70 HD3 ARG 70 -10.299 -5.079 -4.082 537 HE ARG 70 HE ARG 70 -9.711 -3.693 -1.872 538 HH11 ARG 70 HH11 ARG 70 -9.826 -2.584 -5.226 539 HH12 ARG 70 HH12 ARG 70 -10.279 -0.966 -4.791 540 HH21 ARG 70 HH21 ARG 70 -10.290 -1.574 -1.324 541 HH22 ARG 70 HH22 ARG 70 -10.542 -0.389 -2.564 542 H LEU 71 H LEU 71 -5.623 -7.323 -5.496 543 HA LEU 71 HA LEU 71 -6.372 -9.516 -7.057 544 HB2 LEU 71 HB2 LEU 71 -3.819 -7.862 -7.239 545 HB3 LEU 71 HB3 LEU 71 -4.454 -8.889 -8.519 546 HG LEU 71 HG LEU 71 -5.828 -6.406 -7.424 547 HD11 LEU 71 HD11 LEU 71 -4.361 -6.768 -10.046 548 HD12 LEU 71 HD12 LEU 71 -3.818 -5.814 -8.663 549 HD13 LEU 71 HD13 LEU 71 -5.265 -5.333 -9.544 550 HD21 LEU 71 HD21 LEU 71 -7.463 -8.026 -8.210 551 HD22 LEU 71 HD22 LEU 71 -6.609 -8.192 -9.749 552 HD23 LEU 71 HD23 LEU 71 -7.382 -6.662 -9.319 553 H LEU 72 H LEU 72 -3.603 -9.080 -4.883 554 HA LEU 72 HA LEU 72 -2.203 -11.463 -5.494 555 HB2 LEU 72 HB2 LEU 72 -2.226 -9.803 -2.957 556 HB3 LEU 72 HB3 LEU 72 -1.076 -11.091 -3.281 557 HG LEU 72 HG LEU 72 -1.316 -8.530 -4.901 558 HD11 LEU 72 HD11 LEU 72 -0.535 -8.117 -2.613 559 HD12 LEU 72 HD12 LEU 72 0.737 -7.829 -3.802 560 HD13 LEU 72 HD13 LEU 72 0.754 -9.307 -2.831 561 HD21 LEU 72 HD21 LEU 72 0.809 -9.222 -5.929 562 HD22 LEU 72 HD22 LEU 72 -0.469 -10.388 -6.254 563 HD23 LEU 72 HD23 LEU 72 0.757 -10.749 -5.036 564 H HIS 73 H HIS 73 -4.718 -10.752 -3.021 565 HA HIS 73 HA HIS 73 -4.525 -13.315 -1.723 566 HB2 HIS 73 HB2 HIS 73 -6.745 -11.226 -1.624 567 HB3 HIS 73 HB3 HIS 73 -6.765 -12.700 -0.668 568 HD1 HIS 73 HD1 HIS 73 -4.692 -12.909 1.122 569 HD2 HIS 73 HD2 HIS 73 -5.480 -9.143 -0.429 570 HE1 HIS 73 HE1 HIS 73 -3.487 -11.266 2.609 571 HE2 HIS 73 HE2 HIS 73 -4.280 -9.024 1.829 572 H ILE 74 H ILE 74 -6.503 -11.991 -4.303 573 HA ILE 74 HA ILE 74 -8.360 -14.162 -4.558 574 HB ILE 74 HB ILE 74 -7.606 -11.939 -6.526 575 HG12 ILE 74 HG12 ILE 74 -9.987 -12.013 -4.615 576 HG13 ILE 74 HG13 ILE 74 -8.485 -11.172 -4.266 577 HG21 ILE 74 HG21 ILE 74 -8.776 -13.775 -7.682 578 HG22 ILE 74 HG22 ILE 74 -9.776 -12.326 -7.618 579 HG23 ILE 74 HG23 ILE 74 -10.101 -13.670 -6.522 580 HD11 ILE 74 HD11 ILE 74 -10.371 -10.532 -6.538 581 HD12 ILE 74 HD12 ILE 74 -8.853 -9.701 -6.186 582 HD13 ILE 74 HD13 ILE 74 -10.183 -9.631 -5.032 583 H LYS 75 H LYS 75 -5.231 -13.356 -5.928 584 HA LYS 75 HA LYS 75 -5.173 -15.370 -7.989 585 HB2 LYS 75 HB2 LYS 75 -4.013 -13.201 -8.196 586 HB3 LYS 75 HB3 LYS 75 -2.988 -13.603 -6.827 587 HG2 LYS 75 HG2 LYS 75 -1.936 -15.404 -8.113 588 HG3 LYS 75 HG3 LYS 75 -3.017 -15.082 -9.477 589 HD2 LYS 75 HD2 LYS 75 -2.049 -12.836 -9.752 590 HD3 LYS 75 HD3 LYS 75 -1.031 -13.076 -8.327 591 HE2 LYS 75 HE2 LYS 75 -0.854 -14.641 -10.923 592 HE3 LYS 75 HE3 LYS 75 0.259 -13.378 -10.388 593 HZ1 LYS 75 HZ1 LYS 75 0.778 -14.780 -8.442 594 HZ2 LYS 75 HZ2 LYS 75 1.205 -15.503 -9.906 595 HZ3 LYS 75 HZ3 LYS 75 -0.184 -16.012 -9.086 596 H GLN 76 H GLN 76 -3.712 -15.008 -4.737 597 HA GLN 76 HA GLN 76 -2.335 -17.528 -4.823 598 HB2 GLN 76 HB2 GLN 76 -1.696 -17.166 -2.539 599 HB3 GLN 76 HB3 GLN 76 -1.606 -15.611 -3.353 600 HG2 GLN 76 HG2 GLN 76 -3.758 -14.963 -2.338 601 HG3 GLN 76 HG3 GLN 76 -3.838 -16.517 -1.512 602 HE21 GLN 76 HE21 GLN 76 -0.824 -14.696 -1.864 603 HE22 GLN 76 HE22 GLN 76 -0.683 -14.298 -0.191 604 H HIS 77 H HIS 77 -5.553 -16.501 -3.969 605 HA HIS 77 HA HIS 77 -6.479 -18.687 -2.474 606 HB2 HIS 77 HB2 HIS 77 -7.809 -16.624 -2.775 607 HB3 HIS 77 HB3 HIS 77 -7.988 -16.959 -4.494 608 HD1 HIS 77 HD1 HIS 77 -9.083 -18.285 -1.113 609 HD2 HIS 77 HD2 HIS 77 -10.104 -18.626 -5.125 610 HE1 HIS 77 HE1 HIS 77 -11.232 -19.576 -1.160 611 HE2 HIS 77 HE2 HIS 77 -11.664 -19.986 -3.599 612 H GLU 78 H GLU 78 -6.149 -18.203 -5.969 613 HA GLU 78 HA GLU 78 -7.300 -20.591 -6.896 614 HB2 GLU 78 HB2 GLU 78 -4.948 -19.073 -8.104 615 HB3 GLU 78 HB3 GLU 78 -5.978 -20.226 -8.951 616 HG2 GLU 78 HG2 GLU 78 -6.825 -17.531 -7.843 617 HG3 GLU 78 HG3 GLU 78 -6.528 -17.913 -9.538 618 H GLU 79 H GLU 79 -3.960 -19.782 -5.960 619 HA GLU 79 HA GLU 79 -2.762 -22.258 -6.548 620 HB2 GLU 79 HB2 GLU 79 -1.873 -20.240 -4.447 621 HB3 GLU 79 HB3 GLU 79 -0.868 -21.485 -5.186 622 HG2 GLU 79 HG2 GLU 79 -2.020 -19.014 -6.517 623 HG3 GLU 79 HG3 GLU 79 -0.328 -19.347 -6.167 624 H VAL 80 H VAL 80 -4.255 -21.034 -3.569 625 HA VAL 80 HA VAL 80 -3.604 -23.165 -1.826 626 HB VAL 80 HB VAL 80 -5.907 -21.154 -1.745 627 HG11 VAL 80 HG11 VAL 80 -6.550 -23.123 -0.405 628 HG12 VAL 80 HG12 VAL 80 -6.214 -21.740 0.637 629 HG13 VAL 80 HG13 VAL 80 -5.023 -23.033 0.481 630 HG21 VAL 80 HG21 VAL 80 -3.654 -20.154 -1.549 631 HG22 VAL 80 HG22 VAL 80 -3.288 -21.221 -0.195 632 HG23 VAL 80 HG23 VAL 80 -4.551 -19.998 -0.038 633 H GLU 81 H GLU 81 -6.337 -22.628 -4.038 634 HA GLU 81 HA GLU 81 -7.840 -24.916 -3.230 635 HB2 GLU 81 HB2 GLU 81 -8.009 -23.200 -5.736 636 HB3 GLU 81 HB3 GLU 81 -9.098 -24.549 -5.420 637 HG2 GLU 81 HG2 GLU 81 -9.676 -23.336 -3.211 638 HG3 GLU 81 HG3 GLU 81 -8.865 -21.933 -3.908 639 H LYS 82 H LYS 82 -5.609 -24.348 -5.984 640 HA LYS 82 HA LYS 82 -6.163 -26.870 -7.214 641 HB2 LYS 82 HB2 LYS 82 -4.427 -26.320 -8.825 642 HB3 LYS 82 HB3 LYS 82 -5.429 -24.910 -8.528 643 HG2 LYS 82 HG2 LYS 82 -3.623 -24.045 -6.989 644 HG3 LYS 82 HG3 LYS 82 -2.616 -25.400 -7.503 645 HD2 LYS 82 HD2 LYS 82 -2.004 -23.420 -8.786 646 HD3 LYS 82 HD3 LYS 82 -2.770 -24.584 -9.867 647 HE2 LYS 82 HE2 LYS 82 -4.846 -23.299 -9.837 648 HE3 LYS 82 HE3 LYS 82 -4.192 -22.211 -8.615 649 HZ1 LYS 82 HZ1 LYS 82 -4.084 -21.185 -10.774 650 HZ2 LYS 82 HZ2 LYS 82 -3.216 -22.488 -11.406 651 HZ3 LYS 82 HZ3 LYS 82 -2.515 -21.496 -10.230 652 H ASP 83 H ASP 83 -3.697 -25.751 -4.961 653 HA ASP 83 HA ASP 83 -2.008 -28.077 -5.252 654 HB2 ASP 83 HB2 ASP 83 -1.947 -25.792 -3.247 655 HB3 ASP 83 HB3 ASP 83 -0.739 -27.074 -3.314 656 H LYS 84 H LYS 84 -4.618 -27.137 -3.071 657 HA LYS 84 HA LYS 84 -4.142 -29.222 -1.122 658 HB2 LYS 84 HB2 LYS 84 -5.339 -27.098 -0.567 659 HB3 LYS 84 HB3 LYS 84 -6.658 -27.579 -1.629 660 HG2 LYS 84 HG2 LYS 84 -7.161 -29.498 -0.175 661 HG3 LYS 84 HG3 LYS 84 -5.793 -29.094 0.861 662 HD2 LYS 84 HD2 LYS 84 -8.201 -27.286 0.425 663 HD3 LYS 84 HD3 LYS 84 -8.039 -28.413 1.771 664 HE2 LYS 84 HE2 LYS 84 -7.400 -26.312 2.652 665 HE3 LYS 84 HE3 LYS 84 -5.881 -27.155 2.372 666 HZ1 LYS 84 HZ1 LYS 84 -5.554 -25.870 0.371 667 HZ2 LYS 84 HZ2 LYS 84 -5.832 -24.829 1.670 668 HZ3 LYS 84 HZ3 LYS 84 -7.061 -25.124 0.550 669 H LYS 85 H LYS 85 -6.364 -28.700 -3.807 670 HA LYS 85 HA LYS 85 -7.524 -31.410 -3.581 671 HB2 LYS 85 HB2 LYS 85 -8.426 -29.006 -5.237 672 HB3 LYS 85 HB3 LYS 85 -9.339 -30.490 -4.967 673 HG2 LYS 85 HG2 LYS 85 -9.599 -29.945 -2.593 674 HG3 LYS 85 HG3 LYS 85 -8.569 -28.523 -2.771 675 HD2 LYS 85 HD2 LYS 85 -11.261 -28.904 -4.160 676 HD3 LYS 85 HD3 LYS 85 -11.014 -27.972 -2.681 677 HE2 LYS 85 HE2 LYS 85 -9.510 -26.437 -3.899 678 HE3 LYS 85 HE3 LYS 85 -9.748 -27.370 -5.377 679 HZ1 LYS 85 HZ1 LYS 85 -11.926 -25.989 -3.901 680 HZ2 LYS 85 HZ2 LYS 85 -12.052 -26.764 -5.396 681 HZ3 LYS 85 HZ3 LYS 85 -11.133 -25.353 -5.250 682 H ALA 86 H ALA 86 -4.930 -31.330 -4.443 683 HA ALA 86 HA ALA 86 -4.661 -31.050 -7.314 684 HB1 ALA 86 HB1 ALA 86 -2.253 -31.371 -6.862 685 HB2 ALA 86 HB2 ALA 86 -2.607 -31.698 -5.167 686 HB3 ALA 86 HB3 ALA 86 -2.933 -30.102 -5.842 687 H LYS 87 H LYS 87 -5.923 -32.746 -8.021 688 HA LYS 87 HA LYS 87 -5.986 -35.324 -6.880 689 HB2 LYS 87 HB2 LYS 87 -6.951 -34.311 -9.562 690 HB3 LYS 87 HB3 LYS 87 -7.360 -35.889 -8.899 691 HG2 LYS 87 HG2 LYS 87 -8.126 -33.184 -7.743 692 HG3 LYS 87 HG3 LYS 87 -9.198 -34.314 -8.580 693 HD2 LYS 87 HD2 LYS 87 -8.741 -35.991 -6.737 694 HD3 LYS 87 HD3 LYS 87 -7.845 -34.732 -5.879 695 HE2 LYS 87 HE2 LYS 87 -10.103 -34.866 -4.982 696 HE3 LYS 87 HE3 LYS 87 -9.924 -33.340 -5.847 697 HZ1 LYS 87 HZ1 LYS 87 -11.071 -34.335 -7.740 698 HZ2 LYS 87 HZ2 LYS 87 -12.031 -34.412 -6.353 699 HZ3 LYS 87 HZ3 LYS 87 -11.231 -35.793 -6.905 700 H GLN 88 H GLN 88 -4.347 -34.116 -9.819 701 HA GLN 88 HA GLN 88 -2.576 -36.510 -9.769 702 HB2 GLN 88 HB2 GLN 88 -3.548 -34.980 -12.230 703 HB3 GLN 88 HB3 GLN 88 -2.326 -36.249 -12.250 704 HG2 GLN 88 HG2 GLN 88 -4.020 -37.879 -11.454 705 HG3 GLN 88 HG3 GLN 88 -5.239 -36.605 -11.465 706 HE21 GLN 88 HE21 GLN 88 -3.298 -38.725 -13.433 707 HE22 GLN 88 HE22 GLN 88 -4.122 -38.431 -14.924 708 H GLN 89 H GLN 89 -1.805 -34.683 -8.166 709 HA GLN 89 HA GLN 89 0.653 -33.650 -9.301 710 HB2 GLN 89 HB2 GLN 89 -0.880 -31.762 -9.765 711 HB3 GLN 89 HB3 GLN 89 -1.394 -31.736 -8.090 712 HG2 GLN 89 HG2 GLN 89 0.121 -29.889 -8.496 713 HG3 GLN 89 HG3 GLN 89 0.890 -31.045 -7.407 714 HE21 GLN 89 HE21 GLN 89 0.849 -29.765 -10.669 715 HE22 GLN 89 HE22 GLN 89 2.423 -30.317 -11.118 716 H LYS 90 H LYS 90 -1.446 -33.290 -6.415 717 HA LYS 90 HA LYS 90 0.568 -34.491 -4.650 718 HB2 LYS 90 HB2 LYS 90 -0.406 -31.622 -4.401 719 HB3 LYS 90 HB3 LYS 90 0.206 -32.504 -3.009 720 HG2 LYS 90 HG2 LYS 90 2.410 -32.634 -3.922 721 HG3 LYS 90 HG3 LYS 90 1.866 -32.106 -5.517 722 HD2 LYS 90 HD2 LYS 90 1.835 -30.402 -2.995 723 HD3 LYS 90 HD3 LYS 90 3.063 -30.317 -4.262 724 HE2 LYS 90 HE2 LYS 90 1.356 -29.615 -5.888 725 HE3 LYS 90 HE3 LYS 90 0.102 -29.749 -4.652 726 HZ1 LYS 90 HZ1 LYS 90 1.105 -27.995 -3.424 727 HZ2 LYS 90 HZ2 LYS 90 0.906 -27.471 -5.019 728 HZ3 LYS 90 HZ3 LYS 90 2.434 -27.928 -4.469 729 H THR 91 H THR 91 -0.692 -36.089 -3.894 730 HA THR 91 HA THR 91 -3.499 -35.828 -3.356 731 HB THR 91 HB THR 91 -3.151 -38.215 -2.380 732 HG1 THR 91 HG1 THR 91 -0.947 -38.190 -1.999 733 HG21 THR 91 HG21 THR 91 -2.942 -39.242 -4.628 734 HG22 THR 91 HG22 THR 91 -2.391 -37.701 -5.285 735 HG23 THR 91 HG23 THR 91 -4.036 -37.854 -4.664 736 H LEU 92 H LEU 92 -3.330 -34.012 -1.941 737 HA LEU 92 HA LEU 92 -2.602 -34.527 0.868 738 HB2 LEU 92 HB2 LEU 92 -1.870 -32.381 -0.155 739 HB3 LEU 92 HB3 LEU 92 -3.529 -32.001 -0.577 740 HG LEU 92 HG LEU 92 -4.086 -31.841 1.870 741 HD11 LEU 92 HD11 LEU 92 -1.114 -32.189 2.321 742 HD12 LEU 92 HD12 LEU 92 -2.388 -33.320 2.785 743 HD13 LEU 92 HD13 LEU 92 -2.307 -31.733 3.543 744 HD21 LEU 92 HD21 LEU 92 -1.835 -30.011 0.979 745 HD22 LEU 92 HD22 LEU 92 -2.989 -29.683 2.276 746 HD23 LEU 92 HD23 LEU 92 -3.551 -29.813 0.612 747 H LYS 93 H LYS 93 -4.221 -34.397 2.508 748 HA LYS 93 HA LYS 93 -6.822 -35.338 1.812 749 HB2 LYS 93 HB2 LYS 93 -7.350 -35.195 4.199 750 HB3 LYS 93 HB3 LYS 93 -5.766 -35.922 3.966 751 HG2 LYS 93 HG2 LYS 93 -4.692 -33.775 4.593 752 HG3 LYS 93 HG3 LYS 93 -6.287 -33.053 4.824 753 HD2 LYS 93 HD2 LYS 93 -5.331 -33.712 6.985 754 HD3 LYS 93 HD3 LYS 93 -6.768 -34.675 6.631 755 HE2 LYS 93 HE2 LYS 93 -5.003 -36.086 7.571 756 HE3 LYS 93 HE3 LYS 93 -5.311 -36.550 5.899 757 HZ1 LYS 93 HZ1 LYS 93 -3.359 -35.183 5.274 758 HZ2 LYS 93 HZ2 LYS 93 -2.979 -36.490 6.266 759 HZ3 LYS 93 HZ3 LYS 93 -3.036 -34.933 6.915 760 H GLN 94 H GLN 94 -8.826 -34.308 1.943 761 HA GLN 94 HA GLN 94 -8.881 -31.572 1.100 762 HB2 GLN 94 HB2 GLN 94 -11.399 -31.878 1.133 763 HB3 GLN 94 HB3 GLN 94 -10.520 -33.015 0.122 764 HG2 GLN 94 HG2 GLN 94 -10.884 -34.818 1.627 765 HG3 GLN 94 HG3 GLN 94 -11.384 -33.740 2.929 766 HE21 GLN 94 HE21 GLN 94 -12.770 -36.039 1.731 767 HE22 GLN 94 HE22 GLN 94 -14.312 -35.439 1.230 768 H SER 95 H SER 95 -7.846 -30.535 2.894 769 HA SER 95 HA SER 95 -8.940 -30.407 5.514 770 HB2 SER 95 HB2 SER 95 -7.172 -28.365 4.102 771 HB3 SER 95 HB3 SER 95 -7.368 -28.558 5.845 772 HG SER 95 HG SER 95 -6.369 -30.587 5.681 773 H ASP 96 H ASP 96 -11.104 -30.017 5.432 774 HA ASP 96 HA ASP 96 -12.211 -27.903 3.714 775 HB2 ASP 96 HB2 ASP 96 -13.085 -30.221 3.514 776 HB3 ASP 96 HB3 ASP 96 -13.565 -30.191 5.206 777 H THR 97 H THR 97 -12.047 -26.002 4.795 778 HA THR 97 HA THR 97 -13.061 -25.737 7.550 779 HB THR 97 HB THR 97 -10.857 -24.714 7.023 780 HG1 THR 97 HG1 THR 97 -11.738 -22.396 7.621 781 HG21 THR 97 HG21 THR 97 -10.715 -22.676 5.620 782 HG22 THR 97 HG22 THR 97 -12.405 -22.874 5.153 783 HG23 THR 97 HG23 THR 97 -11.206 -24.079 4.671 784 H LYS 98 H LYS 98 -14.710 -24.206 8.076 785 HA LYS 98 HA LYS 98 -16.539 -23.482 5.871 786 HB2 LYS 98 HB2 LYS 98 -17.560 -24.778 7.701 787 HB3 LYS 98 HB3 LYS 98 -17.016 -23.589 8.880 788 HG2 LYS 98 HG2 LYS 98 -18.500 -21.897 7.933 789 HG3 LYS 98 HG3 LYS 98 -18.979 -22.996 6.634 790 HD2 LYS 98 HD2 LYS 98 -20.012 -24.509 8.312 791 HD3 LYS 98 HD3 LYS 98 -19.527 -23.406 9.602 792 HE2 LYS 98 HE2 LYS 98 -20.990 -21.671 8.717 793 HE3 LYS 98 HE3 LYS 98 -21.408 -22.682 7.331 794 HZ1 LYS 98 HZ1 LYS 98 -23.127 -22.740 9.037 795 HZ2 LYS 98 HZ2 LYS 98 -22.017 -23.318 10.171 796 HZ3 LYS 98 HZ3 LYS 98 -22.427 -24.267 8.836 797 H VAL 99 H VAL 99 -15.917 -21.587 5.063 798 HA VAL 99 HA VAL 99 -14.698 -19.443 6.499 799 HB VAL 99 HB VAL 99 -16.043 -19.392 3.756 800 HG11 VAL 99 HG11 VAL 99 -14.041 -17.422 4.933 801 HG12 VAL 99 HG12 VAL 99 -15.757 -17.114 4.659 802 HG13 VAL 99 HG13 VAL 99 -14.685 -17.388 3.287 803 HG21 VAL 99 HG21 VAL 99 -14.234 -21.070 3.863 804 HG22 VAL 99 HG22 VAL 99 -13.109 -19.833 4.430 805 HG23 VAL 99 HG23 VAL 99 -13.799 -19.725 2.808 Start of MODEL 11 1 H2 GLY 1 H2 GLY 1 -12.638 31.354 -3.321 2 H GLY 1 H1 GLY 1 -13.992 32.253 -2.869 3 H3 GLY 1 H3 GLY 1 -12.723 32.998 -3.693 4 HA2 GLY 1 HA2 GLY 1 -12.662 33.579 -1.361 5 HA3 GLY 1 HA3 GLY 1 -12.601 31.869 -0.952 6 H VAL 2 H VAL 2 -10.751 30.632 -1.698 7 HA VAL 2 HA VAL 2 -8.552 30.186 -1.463 8 HB VAL 2 HB VAL 2 -8.184 32.384 -3.555 9 HG11 VAL 2 HG11 VAL 2 -6.035 31.603 -2.658 10 HG12 VAL 2 HG12 VAL 2 -6.227 31.050 -4.323 11 HG13 VAL 2 HG13 VAL 2 -6.478 29.926 -2.984 12 HG21 VAL 2 HG21 VAL 2 -8.890 29.458 -4.014 13 HG22 VAL 2 HG22 VAL 2 -8.511 30.631 -5.277 14 HG23 VAL 2 HG23 VAL 2 -9.957 30.838 -4.287 15 H GLU 3 H GLU 3 -8.926 31.211 0.732 16 HA GLU 3 HA GLU 3 -8.077 32.178 2.572 17 HB2 GLU 3 HB2 GLU 3 -5.988 31.154 1.858 18 HB3 GLU 3 HB3 GLU 3 -5.644 32.496 0.773 19 HG2 GLU 3 HG2 GLU 3 -5.449 33.992 2.806 20 HG3 GLU 3 HG3 GLU 3 -5.623 32.551 3.812 21 H LYS 4 H LYS 4 -9.452 33.943 2.818 22 HA LYS 4 HA LYS 4 -8.504 36.592 1.886 23 HB2 LYS 4 HB2 LYS 4 -11.063 35.796 3.372 24 HB3 LYS 4 HB3 LYS 4 -10.643 37.443 2.907 25 HG2 LYS 4 HG2 LYS 4 -11.224 35.128 1.035 26 HG3 LYS 4 HG3 LYS 4 -12.221 36.562 1.307 27 HD2 LYS 4 HD2 LYS 4 -10.310 37.969 0.413 28 HD3 LYS 4 HD3 LYS 4 -9.466 36.471 0.005 29 HE2 LYS 4 HE2 LYS 4 -10.541 37.316 -1.983 30 HE3 LYS 4 HE3 LYS 4 -11.411 35.864 -1.478 31 HZ1 LYS 4 HZ1 LYS 4 -12.250 38.677 -0.970 32 HZ2 LYS 4 HZ2 LYS 4 -13.077 37.300 -0.436 33 HZ3 LYS 4 HZ3 LYS 4 -12.938 37.612 -2.088 34 H THR 5 H THR 5 -8.680 38.348 3.660 35 HA THR 5 HA THR 5 -6.789 37.672 5.743 36 HB THR 5 HB THR 5 -6.997 40.137 6.313 37 HG1 THR 5 HG1 THR 5 -9.082 40.627 5.703 38 HG21 THR 5 HG21 THR 5 -5.336 39.377 4.628 39 HG22 THR 5 HG22 THR 5 -5.976 40.972 4.230 40 HG23 THR 5 HG23 THR 5 -6.553 39.552 3.358 41 H ALA 6 H ALA 6 -10.188 38.521 5.537 42 HA ALA 6 HA ALA 6 -10.741 37.267 8.136 43 HB1 ALA 6 HB1 ALA 6 -10.523 39.661 8.683 44 HB2 ALA 6 HB2 ALA 6 -12.199 39.141 8.843 45 HB3 ALA 6 HB3 ALA 6 -11.699 40.078 7.433 46 H GLY 7 H GLY 7 -13.242 37.120 8.373 47 HA2 GLY 7 HA2 GLY 7 -15.329 36.577 7.527 48 HA3 GLY 7 HA3 GLY 7 -14.799 37.086 5.928 49 H GLU 8 H GLU 8 -13.476 35.598 4.683 50 HA GLU 8 HA GLU 8 -14.017 32.743 5.324 51 HB2 GLU 8 HB2 GLU 8 -13.807 34.074 2.582 52 HB3 GLU 8 HB3 GLU 8 -14.111 32.360 2.875 53 HG2 GLU 8 HG2 GLU 8 -16.252 32.896 3.956 54 HG3 GLU 8 HG3 GLU 8 -15.940 34.617 3.754 55 H THR 9 H THR 9 -11.982 33.066 6.564 56 HA THR 9 HA THR 9 -9.466 32.948 5.102 57 HB THR 9 HB THR 9 -8.536 32.435 7.443 58 HG1 THR 9 HG1 THR 9 -10.559 33.276 8.912 59 HG21 THR 9 HG21 THR 9 -8.528 34.752 6.654 60 HG22 THR 9 HG22 THR 9 -8.946 34.713 8.366 61 HG23 THR 9 HG23 THR 9 -10.207 34.959 7.156 62 H SER 10 H SER 10 -9.310 31.076 3.851 63 HA SER 10 HA SER 10 -10.339 28.521 4.677 64 HB2 SER 10 HB2 SER 10 -9.157 27.670 2.617 65 HB3 SER 10 HB3 SER 10 -10.238 29.025 2.306 66 HG SER 10 HG SER 10 -7.665 28.846 1.743 67 H ALA 11 H ALA 11 -9.098 26.597 5.073 68 HA ALA 11 HA ALA 11 -6.886 26.895 6.853 69 HB1 ALA 11 HB1 ALA 11 -8.507 25.068 7.122 70 HB2 ALA 11 HB2 ALA 11 -6.881 24.418 6.909 71 HB3 ALA 11 HB3 ALA 11 -8.025 24.382 5.565 72 H THR 12 H THR 12 -5.197 27.863 5.822 73 HA THR 12 HA THR 12 -4.008 26.637 3.392 74 HB THR 12 HB THR 12 -3.797 29.571 4.242 75 HG1 THR 12 HG1 THR 12 -5.907 29.426 3.746 76 HG21 THR 12 HG21 THR 12 -3.324 28.280 1.521 77 HG22 THR 12 HG22 THR 12 -2.053 28.799 2.630 78 HG23 THR 12 HG23 THR 12 -3.140 29.992 1.917 79 H ASP 13 H ASP 13 -1.653 26.990 3.199 80 HA ASP 13 HA ASP 13 0.500 27.205 3.760 81 HB2 ASP 13 HB2 ASP 13 -0.040 29.000 5.429 82 HB3 ASP 13 HB3 ASP 13 -0.318 27.768 6.648 83 H THR 14 H THR 14 2.019 25.678 4.186 84 HA THR 14 HA THR 14 0.997 23.028 4.516 85 HB THR 14 HB THR 14 3.376 22.335 4.024 86 HG1 THR 14 HG1 THR 14 4.837 23.795 4.437 87 HG21 THR 14 HG21 THR 14 2.216 24.388 2.108 88 HG22 THR 14 HG22 THR 14 1.804 22.674 2.156 89 HG23 THR 14 HG23 THR 14 3.434 23.175 1.700 90 H GLY 15 H GLY 15 2.389 25.264 6.735 91 HA2 GLY 15 HA2 GLY 15 4.016 23.725 8.375 92 HA3 GLY 15 HA3 GLY 15 3.112 25.129 8.898 93 H LYS 16 H LYS 16 0.702 24.667 9.357 94 HA LYS 16 HA LYS 16 0.493 22.707 11.385 95 HB2 LYS 16 HB2 LYS 16 -1.874 23.293 11.588 96 HB3 LYS 16 HB3 LYS 16 -0.889 24.740 11.461 97 HG2 LYS 16 HG2 LYS 16 -2.308 23.593 9.049 98 HG3 LYS 16 HG3 LYS 16 -3.149 24.644 10.181 99 HD2 LYS 16 HD2 LYS 16 -0.572 25.512 8.824 100 HD3 LYS 16 HD3 LYS 16 -2.139 25.700 8.039 101 HE2 LYS 16 HE2 LYS 16 -1.474 27.786 9.129 102 HE3 LYS 16 HE3 LYS 16 -2.910 27.130 9.906 103 HZ1 LYS 16 HZ1 LYS 16 -0.146 26.821 10.964 104 HZ2 LYS 16 HZ2 LYS 16 -1.582 26.386 11.743 105 HZ3 LYS 16 HZ3 LYS 16 -1.235 28.010 11.460 106 H ARG 17 H ARG 17 -0.281 22.620 7.966 107 HA ARG 17 HA ARG 17 -2.095 20.467 7.894 108 HB2 ARG 17 HB2 ARG 17 -1.910 21.911 5.955 109 HB3 ARG 17 HB3 ARG 17 -0.197 21.541 5.773 110 HG2 ARG 17 HG2 ARG 17 -0.762 19.194 5.174 111 HG3 ARG 17 HG3 ARG 17 -2.476 19.560 5.367 112 HD2 ARG 17 HD2 ARG 17 -0.658 20.908 3.352 113 HD3 ARG 17 HD3 ARG 17 -1.692 19.520 3.001 114 HE ARG 17 HE ARG 17 -3.098 21.781 4.121 115 HH11 ARG 17 HH11 ARG 17 -1.991 20.340 1.100 116 HH12 ARG 17 HH12 ARG 17 -3.168 21.173 0.133 117 HH21 ARG 17 HH21 ARG 17 -4.660 22.833 2.850 118 HH22 ARG 17 HH22 ARG 17 -4.683 22.588 1.127 119 H GLU 18 H GLU 18 1.438 20.560 7.396 120 HA GLU 18 HA GLU 18 1.765 17.809 6.789 121 HB2 GLU 18 HB2 GLU 18 3.776 19.901 7.686 122 HB3 GLU 18 HB3 GLU 18 4.225 18.274 7.181 123 HG2 GLU 18 HG2 GLU 18 3.403 18.680 4.927 124 HG3 GLU 18 HG3 GLU 18 2.758 20.252 5.402 125 H LYS 19 H LYS 19 1.765 19.584 9.836 126 HA LYS 19 HA LYS 19 2.897 17.593 11.492 127 HB2 LYS 19 HB2 LYS 19 0.815 19.723 12.144 128 HB3 LYS 19 HB3 LYS 19 1.601 18.713 13.356 129 HG2 LYS 19 HG2 LYS 19 3.020 20.652 11.503 130 HG3 LYS 19 HG3 LYS 19 2.634 20.942 13.204 131 HD2 LYS 19 HD2 LYS 19 4.100 19.086 13.888 132 HD3 LYS 19 HD3 LYS 19 4.444 18.696 12.199 133 HE2 LYS 19 HE2 LYS 19 6.296 19.950 13.203 134 HE3 LYS 19 HE3 LYS 19 5.537 20.898 11.924 135 HZ1 LYS 19 HZ1 LYS 19 5.147 21.234 14.849 136 HZ2 LYS 19 HZ2 LYS 19 4.294 22.087 13.666 137 HZ3 LYS 19 HZ3 LYS 19 5.963 22.282 13.805 138 H GLN 20 H GLN 20 -0.428 18.141 10.410 139 HA GLN 20 HA GLN 20 -1.570 15.856 11.744 140 HB2 GLN 20 HB2 GLN 20 -2.652 17.509 9.410 141 HB3 GLN 20 HB3 GLN 20 -3.592 16.421 10.435 142 HG2 GLN 20 HG2 GLN 20 -2.247 19.000 11.311 143 HG3 GLN 20 HG3 GLN 20 -3.972 18.763 11.054 144 HE21 GLN 20 HE21 GLN 20 -4.212 16.236 12.383 145 HE22 GLN 20 HE22 GLN 20 -3.961 16.505 14.068 146 H LEU 21 H LEU 21 -0.148 16.528 8.626 147 HA LEU 21 HA LEU 21 -1.293 14.314 7.214 148 HB2 LEU 21 HB2 LEU 21 -0.720 16.601 6.287 149 HB3 LEU 21 HB3 LEU 21 0.968 16.144 6.337 150 HG LEU 21 HG LEU 21 -0.940 14.388 4.771 151 HD11 LEU 21 HD11 LEU 21 -0.734 15.779 2.777 152 HD12 LEU 21 HD12 LEU 21 0.145 17.006 3.694 153 HD13 LEU 21 HD13 LEU 21 -1.544 16.659 4.075 154 HD21 LEU 21 HD21 LEU 21 1.019 14.069 3.289 155 HD22 LEU 21 HD22 LEU 21 1.395 13.653 4.960 156 HD23 LEU 21 HD23 LEU 21 1.959 15.184 4.289 157 H GLN 22 H GLN 22 1.790 14.876 8.882 158 HA GLN 22 HA GLN 22 3.264 12.808 7.604 159 HB2 GLN 22 HB2 GLN 22 3.694 14.315 10.208 160 HB3 GLN 22 HB3 GLN 22 4.760 12.994 9.741 161 HG2 GLN 22 HG2 GLN 22 4.334 15.603 8.259 162 HG3 GLN 22 HG3 GLN 22 5.789 15.078 9.102 163 HE21 GLN 22 HE21 GLN 22 7.112 13.500 8.133 164 HE22 GLN 22 HE22 GLN 22 6.980 13.076 6.465 165 H GLN 23 H GLN 23 1.387 12.861 10.625 166 HA GLN 23 HA GLN 23 1.954 10.181 11.382 167 HB2 GLN 23 HB2 GLN 23 -0.176 12.166 12.209 168 HB3 GLN 23 HB3 GLN 23 -0.257 10.504 12.769 169 HG2 GLN 23 HG2 GLN 23 0.751 11.863 14.484 170 HG3 GLN 23 HG3 GLN 23 1.955 10.759 13.844 171 HE21 GLN 23 HE21 GLN 23 0.991 14.078 14.123 172 HE22 GLN 23 HE22 GLN 23 2.457 14.771 13.530 173 H TRP 24 H TRP 24 -0.560 11.638 9.344 174 HA TRP 24 HA TRP 24 -2.114 9.286 8.894 175 HB2 TRP 24 HB2 TRP 24 -3.133 11.434 8.406 176 HB3 TRP 24 HB3 TRP 24 -1.824 11.885 7.317 177 HD1 TRP 24 HD1 TRP 24 -3.877 8.577 7.210 178 HE1 TRP 24 HE1 TRP 24 -5.010 8.399 4.912 179 HE3 TRP 24 HE3 TRP 24 -2.517 13.120 5.255 180 HZ2 TRP 24 HZ2 TRP 24 -5.303 9.950 2.594 181 HZ3 TRP 24 HZ3 TRP 24 -3.276 13.689 2.978 182 HH2 TRP 24 HH2 TRP 24 -4.642 12.132 1.674 183 H LYS 25 H LYS 25 0.632 10.765 7.214 184 HA LYS 25 HA LYS 25 0.798 9.156 4.938 185 HB2 LYS 25 HB2 LYS 25 1.991 11.221 5.006 186 HB3 LYS 25 HB3 LYS 25 2.764 10.822 6.537 187 HG2 LYS 25 HG2 LYS 25 4.127 9.101 5.387 188 HG3 LYS 25 HG3 LYS 25 3.381 9.555 3.851 189 HD2 LYS 25 HD2 LYS 25 4.973 11.437 5.625 190 HD3 LYS 25 HD3 LYS 25 5.618 10.587 4.233 191 HE2 LYS 25 HE2 LYS 25 3.949 11.776 2.791 192 HE3 LYS 25 HE3 LYS 25 3.436 12.689 4.211 193 HZ1 LYS 25 HZ1 LYS 25 5.640 13.605 4.402 194 HZ2 LYS 25 HZ2 LYS 25 5.035 13.897 2.855 195 HZ3 LYS 25 HZ3 LYS 25 6.189 12.687 3.092 196 H ASN 26 H ASN 26 2.262 8.898 8.148 197 HA ASN 26 HA ASN 26 3.788 6.585 7.817 198 HB2 ASN 26 HB2 ASN 26 2.468 7.769 10.291 199 HB3 ASN 26 HB3 ASN 26 3.553 6.379 10.363 200 HD21 ASN 26 HD21 ASN 26 3.840 9.088 11.513 201 HD22 ASN 26 HD22 ASN 26 5.334 9.696 10.897 202 H ASN 27 H ASN 27 0.354 6.997 8.693 203 HA ASN 27 HA ASN 27 -0.251 4.319 9.317 204 HB2 ASN 27 HB2 ASN 27 -2.071 6.433 8.091 205 HB3 ASN 27 HB3 ASN 27 -2.621 4.928 8.818 206 HD21 ASN 27 HD21 ASN 27 -0.681 5.113 11.069 207 HD22 ASN 27 HD22 ASN 27 -1.299 6.356 12.087 208 H LEU 28 H LEU 28 -0.473 6.110 6.255 209 HA LEU 28 HA LEU 28 -1.550 4.187 4.574 210 HB2 LEU 28 HB2 LEU 28 0.489 6.337 3.879 211 HB3 LEU 28 HB3 LEU 28 -0.508 5.487 2.711 212 HG LEU 28 HG LEU 28 -1.676 7.260 4.903 213 HD11 LEU 28 HD11 LEU 28 -1.942 9.023 3.243 214 HD12 LEU 28 HD12 LEU 28 -1.126 8.040 2.023 215 HD13 LEU 28 HD13 LEU 28 -0.236 8.615 3.434 216 HD21 LEU 28 HD21 LEU 28 -2.924 6.185 2.350 217 HD22 LEU 28 HD22 LEU 28 -3.708 7.235 3.536 218 HD23 LEU 28 HD23 LEU 28 -3.241 5.598 3.985 219 H LYS 29 H LYS 29 1.894 4.750 5.400 220 HA LYS 29 HA LYS 29 2.967 2.685 3.750 221 HB2 LYS 29 HB2 LYS 29 4.119 4.207 6.099 222 HB3 LYS 29 HB3 LYS 29 5.010 2.886 5.361 223 HG2 LYS 29 HG2 LYS 29 5.889 4.376 3.917 224 HG3 LYS 29 HG3 LYS 29 4.306 4.495 3.164 225 HD2 LYS 29 HD2 LYS 29 5.305 6.697 3.689 226 HD3 LYS 29 HD3 LYS 29 3.761 6.439 4.499 227 HE2 LYS 29 HE2 LYS 29 5.425 7.523 5.975 228 HE3 LYS 29 HE3 LYS 29 4.905 5.965 6.606 229 HZ1 LYS 29 HZ1 LYS 29 6.961 5.017 5.667 230 HZ2 LYS 29 HZ2 LYS 29 7.257 6.182 6.848 231 HZ3 LYS 29 HZ3 LYS 29 7.453 6.567 5.215 232 H ASN 30 H ASN 30 1.773 2.673 7.122 233 HA ASN 30 HA ASN 30 2.818 0.118 7.844 234 HB2 ASN 30 HB2 ASN 30 0.519 1.747 8.982 235 HB3 ASN 30 HB3 ASN 30 0.850 0.120 9.570 236 HD21 ASN 30 HD21 ASN 30 1.845 3.388 9.644 237 HD22 ASN 30 HD22 ASN 30 3.146 3.183 10.754 238 H ASP 31 H ASP 31 -0.162 1.114 6.243 239 HA ASP 31 HA ASP 31 -1.360 -1.466 6.179 240 HB2 ASP 31 HB2 ASP 31 -1.775 0.984 4.429 241 HB3 ASP 31 HB3 ASP 31 -2.722 -0.491 4.258 242 H VAL 32 H VAL 32 0.930 0.204 4.002 243 HA VAL 32 HA VAL 32 1.044 -1.776 1.957 244 HB VAL 32 HB VAL 32 3.343 0.047 2.834 245 HG11 VAL 32 HG11 VAL 32 2.809 -1.258 0.138 246 HG12 VAL 32 HG12 VAL 32 4.055 -1.748 1.289 247 HG13 VAL 32 HG13 VAL 32 4.144 -0.167 0.508 248 HG21 VAL 32 HG21 VAL 32 1.334 1.392 2.370 249 HG22 VAL 32 HG22 VAL 32 1.173 0.628 0.788 250 HG23 VAL 32 HG23 VAL 32 2.569 1.655 1.136 251 H ASP 33 H ASP 33 2.620 -1.486 5.101 252 HA ASP 33 HA ASP 33 4.370 -3.762 4.867 253 HB2 ASP 33 HB2 ASP 33 3.317 -2.352 7.370 254 HB3 ASP 33 HB3 ASP 33 4.623 -3.535 7.357 255 H ASN 34 H ASN 34 1.075 -3.244 5.974 256 HA ASN 34 HA ASN 34 0.696 -5.830 7.186 257 HB2 ASN 34 HB2 ASN 34 -1.262 -3.616 6.407 258 HB3 ASN 34 HB3 ASN 34 -1.774 -5.117 7.180 259 HD21 ASN 34 HD21 ASN 34 -1.879 -2.292 8.079 260 HD22 ASN 34 HD22 ASN 34 -1.113 -2.289 9.626 261 H THR 35 H THR 35 0.200 -4.453 3.975 262 HA THR 35 HA THR 35 -1.477 -6.569 2.993 263 HB THR 35 HB THR 35 -0.883 -5.567 0.723 264 HG1 THR 35 HG1 THR 35 1.043 -4.428 2.122 265 HG21 THR 35 HG21 THR 35 -1.998 -3.647 2.805 266 HG22 THR 35 HG22 THR 35 -2.920 -4.836 1.885 267 HG23 THR 35 HG23 THR 35 -2.171 -3.474 1.054 268 H ILE 36 H ILE 36 -0.847 -8.166 1.459 269 HA ILE 36 HA ILE 36 1.690 -9.423 2.080 270 HB ILE 36 HB ILE 36 0.834 -11.374 0.847 271 HG12 ILE 36 HG12 ILE 36 -1.638 -9.711 0.136 272 HG13 ILE 36 HG13 ILE 36 -0.348 -10.095 -0.998 273 HG21 ILE 36 HG21 ILE 36 -1.135 -11.889 2.241 274 HG22 ILE 36 HG22 ILE 36 -1.329 -10.178 2.620 275 HG23 ILE 36 HG23 ILE 36 0.098 -11.050 3.192 276 HD11 ILE 36 HD11 ILE 36 -2.172 -12.088 0.345 277 HD12 ILE 36 HD12 ILE 36 -0.870 -12.479 -0.782 278 HD13 ILE 36 HD13 ILE 36 -2.256 -11.537 -1.327 279 H LEU 37 H LEU 37 1.678 -6.929 0.369 280 HA LEU 37 HA LEU 37 2.352 -7.395 -2.295 281 HB2 LEU 37 HB2 LEU 37 3.579 -5.285 -0.472 282 HB3 LEU 37 HB3 LEU 37 3.581 -5.263 -2.225 283 HG LEU 37 HG LEU 37 1.234 -4.793 -0.367 284 HD11 LEU 37 HD11 LEU 37 2.710 -2.875 -0.722 285 HD12 LEU 37 HD12 LEU 37 1.130 -2.601 -1.446 286 HD13 LEU 37 HD13 LEU 37 2.511 -3.017 -2.471 287 HD21 LEU 37 HD21 LEU 37 0.373 -6.147 -2.182 288 HD22 LEU 37 HD22 LEU 37 1.110 -5.076 -3.378 289 HD23 LEU 37 HD23 LEU 37 -0.193 -4.484 -2.337 290 H SER 38 H SER 38 4.399 -7.514 -3.336 291 HA SER 38 HA SER 38 6.449 -9.078 -2.012 292 HB2 SER 38 HB2 SER 38 5.848 -9.519 -4.369 293 HB3 SER 38 HB3 SER 38 6.296 -7.878 -4.815 294 HG SER 38 HG SER 38 8.026 -9.090 -5.320 295 H HIS 39 H HIS 39 8.818 -8.331 -2.517 296 HA HIS 39 HA HIS 39 9.536 -6.161 -0.948 297 HB2 HIS 39 HB2 HIS 39 11.139 -7.924 -1.436 298 HB3 HIS 39 HB3 HIS 39 11.074 -7.583 -3.161 299 HD1 HIS 39 HD1 HIS 39 12.750 -6.515 -0.006 300 HD2 HIS 39 HD2 HIS 39 12.576 -5.271 -3.965 301 HE1 HIS 39 HE1 HIS 39 14.669 -4.932 -0.313 302 HE2 HIS 39 HE2 HIS 39 14.610 -4.296 -2.738 303 H GLU 40 H GLU 40 9.130 -6.347 -4.460 304 HA GLU 40 HA GLU 40 10.182 -3.812 -5.093 305 HB2 GLU 40 HB2 GLU 40 8.141 -5.409 -6.685 306 HB3 GLU 40 HB3 GLU 40 9.195 -4.149 -7.312 307 HG2 GLU 40 HG2 GLU 40 10.008 -6.892 -6.308 308 HG3 GLU 40 HG3 GLU 40 10.040 -6.318 -7.974 309 H GLN 41 H GLN 41 6.801 -4.899 -4.622 310 HA GLN 41 HA GLN 41 5.602 -2.380 -5.168 311 HB2 GLN 41 HB2 GLN 41 4.561 -4.872 -3.782 312 HB3 GLN 41 HB3 GLN 41 3.556 -3.449 -4.025 313 HG2 GLN 41 HG2 GLN 41 4.843 -5.084 -6.232 314 HG3 GLN 41 HG3 GLN 41 3.157 -5.170 -5.736 315 HE21 GLN 41 HE21 GLN 41 5.554 -3.274 -7.409 316 HE22 GLN 41 HE22 GLN 41 4.462 -2.136 -8.112 317 H LYS 42 H LYS 42 6.646 -3.899 -2.097 318 HA LYS 42 HA LYS 42 5.492 -1.912 -0.409 319 HB2 LYS 42 HB2 LYS 42 7.679 -3.960 0.084 320 HB3 LYS 42 HB3 LYS 42 7.200 -2.798 1.326 321 HG2 LYS 42 HG2 LYS 42 4.894 -3.633 1.260 322 HG3 LYS 42 HG3 LYS 42 5.325 -4.774 -0.019 323 HD2 LYS 42 HD2 LYS 42 6.852 -5.945 1.526 324 HD3 LYS 42 HD3 LYS 42 6.472 -4.786 2.804 325 HE2 LYS 42 HE2 LYS 42 4.211 -5.576 2.962 326 HE3 LYS 42 HE3 LYS 42 4.365 -6.526 1.482 327 HZ1 LYS 42 HZ1 LYS 42 5.804 -7.040 4.028 328 HZ2 LYS 42 HZ2 LYS 42 5.967 -7.947 2.617 329 HZ3 LYS 42 HZ3 LYS 42 4.491 -7.918 3.437 330 H ASN 43 H ASN 43 8.841 -2.353 -1.563 331 HA ASN 43 HA ASN 43 9.915 0.050 -0.582 332 HB2 ASN 43 HB2 ASN 43 10.703 -1.854 -2.802 333 HB3 ASN 43 HB3 ASN 43 11.540 -0.316 -2.690 334 HD21 ASN 43 HD21 ASN 43 10.887 -3.325 -1.013 335 HD22 ASN 43 HD22 ASN 43 12.224 -3.222 0.066 336 H GLU 44 H GLU 44 7.917 -0.561 -3.416 337 HA GLU 44 HA GLU 44 8.533 1.833 -4.856 338 HB2 GLU 44 HB2 GLU 44 7.534 -0.205 -5.922 339 HB3 GLU 44 HB3 GLU 44 6.049 0.069 -5.020 340 HG2 GLU 44 HG2 GLU 44 5.953 2.361 -6.182 341 HG3 GLU 44 HG3 GLU 44 7.214 1.752 -7.249 342 H PHE 45 H PHE 45 5.658 0.861 -2.939 343 HA PHE 45 HA PHE 45 4.369 3.390 -3.338 344 HB2 PHE 45 HB2 PHE 45 3.622 0.919 -1.733 345 HB3 PHE 45 HB3 PHE 45 2.638 2.384 -1.685 346 HD1 PHE 45 HD1 PHE 45 1.836 3.348 -3.957 347 HD2 PHE 45 HD2 PHE 45 3.236 -0.673 -3.486 348 HE1 PHE 45 HE1 PHE 45 0.681 2.695 -6.019 349 HE2 PHE 45 HE2 PHE 45 2.074 -1.312 -5.552 350 HZ PHE 45 HZ PHE 45 0.800 0.370 -6.821 351 H LYS 46 H LYS 46 5.884 1.810 -0.527 352 HA LYS 46 HA LYS 46 5.248 3.658 1.451 353 HB2 LYS 46 HB2 LYS 46 7.688 1.876 1.117 354 HB3 LYS 46 HB3 LYS 46 7.416 2.834 2.571 355 HG2 LYS 46 HG2 LYS 46 5.447 1.604 3.150 356 HG3 LYS 46 HG3 LYS 46 5.359 0.852 1.557 357 HD2 LYS 46 HD2 LYS 46 6.150 -0.752 3.241 358 HD3 LYS 46 HD3 LYS 46 7.398 -0.444 2.030 359 HE2 LYS 46 HE2 LYS 46 8.380 -0.532 4.264 360 HE3 LYS 46 HE3 LYS 46 8.518 1.103 3.620 361 HZ1 LYS 46 HZ1 LYS 46 6.379 0.210 5.482 362 HZ2 LYS 46 HZ2 LYS 46 6.690 1.797 4.979 363 HZ3 LYS 46 HZ3 LYS 46 7.795 0.992 5.966 364 H THR 47 H THR 47 8.087 3.671 -0.727 365 HA THR 47 HA THR 47 9.298 6.027 0.228 366 HB THR 47 HB THR 47 9.458 4.715 -2.515 367 HG1 THR 47 HG1 THR 47 10.728 4.330 -0.052 368 HG21 THR 47 HG21 THR 47 10.276 7.052 -2.668 369 HG22 THR 47 HG22 THR 47 11.601 5.901 -2.814 370 HG23 THR 47 HG23 THR 47 11.360 6.756 -1.292 371 H LYS 48 H LYS 48 6.989 5.514 -2.467 372 HA LYS 48 HA LYS 48 6.854 8.133 -3.460 373 HB2 LYS 48 HB2 LYS 48 4.811 5.887 -3.453 374 HB3 LYS 48 HB3 LYS 48 4.525 7.414 -4.288 375 HG2 LYS 48 HG2 LYS 48 6.423 7.030 -5.752 376 HG3 LYS 48 HG3 LYS 48 6.851 5.556 -4.871 377 HD2 LYS 48 HD2 LYS 48 4.758 4.483 -5.573 378 HD3 LYS 48 HD3 LYS 48 4.223 5.974 -6.358 379 HE2 LYS 48 HE2 LYS 48 6.074 5.804 -7.962 380 HE3 LYS 48 HE3 LYS 48 6.650 4.341 -7.160 381 HZ1 LYS 48 HZ1 LYS 48 5.399 3.741 -9.083 382 HZ2 LYS 48 HZ2 LYS 48 4.080 4.684 -8.609 383 HZ3 LYS 48 HZ3 LYS 48 4.491 3.303 -7.724 384 H ILE 49 H ILE 49 4.963 6.582 -0.888 385 HA ILE 49 HA ILE 49 3.128 8.676 -0.395 386 HB ILE 49 HB ILE 49 4.094 6.459 1.480 387 HG12 ILE 49 HG12 ILE 49 1.513 6.551 -0.161 388 HG13 ILE 49 HG13 ILE 49 2.964 5.714 -0.689 389 HG21 ILE 49 HG21 ILE 49 1.621 8.208 1.749 390 HG22 ILE 49 HG22 ILE 49 3.062 8.302 2.760 391 HG23 ILE 49 HG23 ILE 49 2.049 6.860 2.803 392 HD11 ILE 49 HD11 ILE 49 1.345 5.055 1.772 393 HD12 ILE 49 HD12 ILE 49 2.813 4.225 1.251 394 HD13 ILE 49 HD13 ILE 49 1.365 4.165 0.249 395 H ASP 50 H ASP 50 6.319 7.881 0.990 396 HA ASP 50 HA ASP 50 6.534 10.009 2.836 397 HB2 ASP 50 HB2 ASP 50 8.600 8.322 1.405 398 HB3 ASP 50 HB3 ASP 50 9.100 9.625 2.476 399 H GLU 51 H GLU 51 7.202 9.876 -0.628 400 HA GLU 51 HA GLU 51 8.542 12.451 -0.702 401 HB2 GLU 51 HB2 GLU 51 7.612 10.672 -2.996 402 HB3 GLU 51 HB3 GLU 51 8.688 12.059 -3.138 403 HG2 GLU 51 HG2 GLU 51 9.264 9.420 -1.776 404 HG3 GLU 51 HG3 GLU 51 9.997 10.037 -3.247 405 H THR 52 H THR 52 5.343 11.785 -0.299 406 HA THR 52 HA THR 52 4.452 14.089 -1.944 407 HB THR 52 HB THR 52 2.870 11.515 -1.498 408 HG1 THR 52 HG1 THR 52 4.685 11.294 -2.913 409 HG21 THR 52 HG21 THR 52 2.311 13.893 -3.302 410 HG22 THR 52 HG22 THR 52 1.414 13.490 -1.833 411 HG23 THR 52 HG23 THR 52 1.365 12.406 -3.224 412 H ASN 53 H ASN 53 3.679 15.658 -0.716 413 HA ASN 53 HA ASN 53 2.158 15.124 1.770 414 HB2 ASN 53 HB2 ASN 53 3.532 17.647 0.737 415 HB3 ASN 53 HB3 ASN 53 2.445 17.657 2.121 416 HD21 ASN 53 HD21 ASN 53 5.338 18.254 1.886 417 HD22 ASN 53 HD22 ASN 53 6.098 17.250 3.067 418 H ASP 54 H ASP 54 1.454 15.281 -1.377 419 HA ASP 54 HA ASP 54 -0.919 17.015 -1.178 420 HB2 ASP 54 HB2 ASP 54 0.329 17.010 -3.317 421 HB3 ASP 54 HB3 ASP 54 0.094 15.271 -3.485 422 H SER 55 H SER 55 -2.856 16.266 -0.586 423 HA SER 55 HA SER 55 -3.195 13.759 0.613 424 HB2 SER 55 HB2 SER 55 -5.603 14.447 0.835 425 HB3 SER 55 HB3 SER 55 -4.471 15.697 1.342 426 HG SER 55 HG SER 55 -5.830 15.567 -1.152 427 H ASP 56 H ASP 56 -4.243 14.950 -2.556 428 HA ASP 56 HA ASP 56 -6.050 12.852 -3.198 429 HB2 ASP 56 HB2 ASP 56 -4.543 14.739 -5.063 430 HB3 ASP 56 HB3 ASP 56 -5.976 13.806 -5.491 431 H ALA 57 H ALA 57 -2.658 13.455 -3.970 432 HA ALA 57 HA ALA 57 -2.231 11.188 -5.636 433 HB1 ALA 57 HB1 ALA 57 0.166 11.736 -5.360 434 HB2 ALA 57 HB2 ALA 57 -0.257 12.906 -4.103 435 HB3 ALA 57 HB3 ALA 57 -0.800 13.153 -5.764 436 H LEU 58 H LEU 58 -1.925 11.765 -2.139 437 HA LEU 58 HA LEU 58 -0.746 9.264 -1.448 438 HB2 LEU 58 HB2 LEU 58 -2.426 11.213 0.183 439 HB3 LEU 58 HB3 LEU 58 -1.689 9.775 0.873 440 HG LEU 58 HG LEU 58 -0.201 12.156 -0.309 441 HD11 LEU 58 HD11 LEU 58 -1.178 12.623 1.888 442 HD12 LEU 58 HD12 LEU 58 0.579 12.540 1.991 443 HD13 LEU 58 HD13 LEU 58 -0.406 11.186 2.564 444 HD21 LEU 58 HD21 LEU 58 0.916 9.597 0.881 445 HD22 LEU 58 HD22 LEU 58 1.859 11.023 0.438 446 HD23 LEU 58 HD23 LEU 58 1.019 10.106 -0.807 447 H LEU 59 H LEU 59 -4.091 10.333 -1.871 448 HA LEU 59 HA LEU 59 -5.399 7.962 -0.972 449 HB2 LEU 59 HB2 LEU 59 -6.343 10.130 -2.901 450 HB3 LEU 59 HB3 LEU 59 -7.383 8.885 -2.225 451 HG LEU 59 HG LEU 59 -5.967 11.047 -0.615 452 HD11 LEU 59 HD11 LEU 59 -7.756 11.998 -1.979 453 HD12 LEU 59 HD12 LEU 59 -8.174 12.040 -0.268 454 HD13 LEU 59 HD13 LEU 59 -8.907 10.828 -1.325 455 HD21 LEU 59 HD21 LEU 59 -7.931 8.928 0.301 456 HD22 LEU 59 HD22 LEU 59 -7.320 10.263 1.283 457 HD23 LEU 59 HD23 LEU 59 -6.212 9.025 0.702 458 H GLU 60 H GLU 60 -4.067 9.035 -4.046 459 HA GLU 60 HA GLU 60 -5.127 7.016 -5.740 460 HB2 GLU 60 HB2 GLU 60 -4.273 9.147 -6.614 461 HB3 GLU 60 HB3 GLU 60 -2.660 8.785 -6.005 462 HG2 GLU 60 HG2 GLU 60 -2.550 6.835 -7.578 463 HG3 GLU 60 HG3 GLU 60 -4.117 7.312 -8.230 464 H LEU 61 H LEU 61 -1.915 7.419 -4.224 465 HA LEU 61 HA LEU 61 -0.702 4.999 -4.942 466 HB2 LEU 61 HB2 LEU 61 -0.338 6.680 -2.426 467 HB3 LEU 61 HB3 LEU 61 0.765 5.403 -2.923 468 HG LEU 61 HG LEU 61 0.227 7.914 -4.560 469 HD11 LEU 61 HD11 LEU 61 1.279 8.529 -2.445 470 HD12 LEU 61 HD12 LEU 61 2.403 8.736 -3.784 471 HD13 LEU 61 HD13 LEU 61 2.563 7.345 -2.707 472 HD21 LEU 61 HD21 LEU 61 2.353 5.768 -4.868 473 HD22 LEU 61 HD22 LEU 61 2.239 7.253 -5.816 474 HD23 LEU 61 HD23 LEU 61 0.969 6.039 -5.933 475 H GLU 62 H GLU 62 -2.769 5.851 -2.220 476 HA GLU 62 HA GLU 62 -2.609 3.472 -0.748 477 HB2 GLU 62 HB2 GLU 62 -3.428 5.584 0.194 478 HB3 GLU 62 HB3 GLU 62 -4.837 5.539 -0.849 479 HG2 GLU 62 HG2 GLU 62 -4.398 3.242 1.053 480 HG3 GLU 62 HG3 GLU 62 -4.945 4.775 1.716 481 H ASN 63 H ASN 63 -4.932 4.550 -3.202 482 HA ASN 63 HA ASN 63 -6.633 2.305 -3.199 483 HB2 ASN 63 HB2 ASN 63 -7.217 4.502 -4.214 484 HB3 ASN 63 HB3 ASN 63 -6.009 4.250 -5.470 485 HD21 ASN 63 HD21 ASN 63 -7.383 4.237 -7.205 486 HD22 ASN 63 HD22 ASN 63 -8.616 3.056 -7.468 487 H GLN 64 H GLN 64 -3.638 2.990 -4.929 488 HA GLN 64 HA GLN 64 -3.811 0.900 -6.860 489 HB2 GLN 64 HB2 GLN 64 -1.494 2.632 -5.928 490 HB3 GLN 64 HB3 GLN 64 -1.350 1.465 -7.242 491 HG2 GLN 64 HG2 GLN 64 -2.904 2.686 -8.612 492 HG3 GLN 64 HG3 GLN 64 -3.347 3.750 -7.277 493 HE21 GLN 64 HE21 GLN 64 -2.285 4.422 -9.920 494 HE22 GLN 64 HE22 GLN 64 -0.849 5.336 -9.635 495 H PHE 65 H PHE 65 -2.082 1.137 -3.675 496 HA PHE 65 HA PHE 65 -0.811 -1.432 -4.088 497 HB2 PHE 65 HB2 PHE 65 0.305 -1.194 -2.038 498 HB3 PHE 65 HB3 PHE 65 0.181 0.440 -2.644 499 HD1 PHE 65 HD1 PHE 65 -0.850 2.149 -1.304 500 HD2 PHE 65 HD2 PHE 65 -1.211 -1.941 -0.118 501 HE1 PHE 65 HE1 PHE 65 -1.721 2.845 0.886 502 HE2 PHE 65 HE2 PHE 65 -2.095 -1.232 2.050 503 HZ PHE 65 HZ PHE 65 -2.346 1.165 2.553 504 H ASN 66 H ASN 66 -3.684 -0.283 -2.387 505 HA ASN 66 HA ASN 66 -4.467 -2.741 -1.208 506 HB2 ASN 66 HB2 ASN 66 -5.914 -0.179 -1.931 507 HB3 ASN 66 HB3 ASN 66 -6.880 -1.590 -1.517 508 HD21 ASN 66 HD21 ASN 66 -4.616 0.770 -0.313 509 HD22 ASN 66 HD22 ASN 66 -4.846 0.430 1.353 510 H GLU 67 H GLU 67 -4.831 -1.406 -4.443 511 HA GLU 67 HA GLU 67 -6.643 -3.372 -5.438 512 HB2 GLU 67 HB2 GLU 67 -6.343 -1.162 -6.516 513 HB3 GLU 67 HB3 GLU 67 -4.677 -1.573 -6.916 514 HG2 GLU 67 HG2 GLU 67 -6.117 -1.804 -8.875 515 HG3 GLU 67 HG3 GLU 67 -5.457 -3.369 -8.407 516 H THR 68 H THR 68 -3.095 -2.953 -5.744 517 HA THR 68 HA THR 68 -2.442 -5.254 -7.168 518 HB THR 68 HB THR 68 -0.780 -3.835 -5.028 519 HG1 THR 68 HG1 THR 68 0.109 -2.734 -6.835 520 HG21 THR 68 HG21 THR 68 0.162 -6.079 -5.560 521 HG22 THR 68 HG22 THR 68 1.201 -4.782 -6.146 522 HG23 THR 68 HG23 THR 68 0.174 -5.662 -7.277 523 H ASN 69 H ASN 69 -2.796 -4.717 -3.711 524 HA ASN 69 HA ASN 69 -2.046 -7.280 -2.787 525 HB2 ASN 69 HB2 ASN 69 -1.950 -5.409 -1.280 526 HB3 ASN 69 HB3 ASN 69 -3.645 -5.017 -1.552 527 HD21 ASN 69 HD21 ASN 69 -1.544 -7.580 -0.288 528 HD22 ASN 69 HD22 ASN 69 -2.643 -8.098 0.946 529 H ARG 70 H ARG 70 -5.181 -5.859 -3.692 530 HA ARG 70 HA ARG 70 -6.835 -7.931 -2.699 531 HB2 ARG 70 HB2 ARG 70 -7.425 -5.491 -3.547 532 HB3 ARG 70 HB3 ARG 70 -7.585 -6.241 -5.126 533 HG2 ARG 70 HG2 ARG 70 -9.150 -7.160 -2.692 534 HG3 ARG 70 HG3 ARG 70 -9.732 -5.908 -3.782 535 HD2 ARG 70 HD2 ARG 70 -9.791 -7.506 -5.631 536 HD3 ARG 70 HD3 ARG 70 -9.094 -8.764 -4.605 537 HE ARG 70 HE ARG 70 -11.762 -7.537 -4.158 538 HH11 ARG 70 HH11 ARG 70 -9.686 -10.380 -4.096 539 HH12 ARG 70 HH12 ARG 70 -10.948 -11.434 -3.539 540 HH21 ARG 70 HH21 ARG 70 -13.386 -8.911 -3.412 541 HH22 ARG 70 HH22 ARG 70 -13.046 -10.598 -3.152 542 H LEU 71 H LEU 71 -5.346 -7.317 -5.853 543 HA LEU 71 HA LEU 71 -6.274 -9.582 -7.271 544 HB2 LEU 71 HB2 LEU 71 -3.768 -7.898 -7.663 545 HB3 LEU 71 HB3 LEU 71 -4.400 -9.037 -8.847 546 HG LEU 71 HG LEU 71 -5.892 -6.563 -7.877 547 HD11 LEU 71 HD11 LEU 71 -5.358 -5.551 -10.042 548 HD12 LEU 71 HD12 LEU 71 -4.360 -6.945 -10.464 549 HD13 LEU 71 HD13 LEU 71 -3.900 -5.904 -9.115 550 HD21 LEU 71 HD21 LEU 71 -7.408 -8.335 -8.614 551 HD22 LEU 71 HD22 LEU 71 -6.545 -8.471 -10.148 552 HD23 LEU 71 HD23 LEU 71 -7.419 -6.989 -9.754 553 H LEU 72 H LEU 72 -3.483 -9.046 -5.172 554 HA LEU 72 HA LEU 72 -2.122 -11.493 -5.586 555 HB2 LEU 72 HB2 LEU 72 -2.197 -9.543 -3.270 556 HB3 LEU 72 HB3 LEU 72 -1.263 -11.022 -3.162 557 HG LEU 72 HG LEU 72 -0.793 -8.885 -5.276 558 HD11 LEU 72 HD11 LEU 72 1.149 -8.227 -3.933 559 HD12 LEU 72 HD12 LEU 72 0.703 -9.396 -2.684 560 HD13 LEU 72 HD13 LEU 72 -0.346 -8.018 -3.020 561 HD21 LEU 72 HD21 LEU 72 1.329 -10.102 -5.642 562 HD22 LEU 72 HD22 LEU 72 -0.069 -11.119 -5.981 563 HD23 LEU 72 HD23 LEU 72 0.831 -11.334 -4.472 564 H HIS 73 H HIS 73 -4.678 -10.550 -3.248 565 HA HIS 73 HA HIS 73 -4.688 -13.037 -1.843 566 HB2 HIS 73 HB2 HIS 73 -6.816 -10.869 -2.036 567 HB3 HIS 73 HB3 HIS 73 -6.984 -12.295 -1.016 568 HD1 HIS 73 HD1 HIS 73 -4.862 -12.563 0.776 569 HD2 HIS 73 HD2 HIS 73 -5.681 -8.790 -0.714 570 HE1 HIS 73 HE1 HIS 73 -3.738 -10.948 2.328 571 HE2 HIS 73 HE2 HIS 73 -4.571 -8.702 1.588 572 H ILE 74 H ILE 74 -6.373 -11.881 -4.721 573 HA ILE 74 HA ILE 74 -8.188 -14.059 -5.047 574 HB ILE 74 HB ILE 74 -6.943 -12.257 -7.193 575 HG12 ILE 74 HG12 ILE 74 -9.615 -11.945 -5.757 576 HG13 ILE 74 HG13 ILE 74 -8.180 -10.997 -5.419 577 HG21 ILE 74 HG21 ILE 74 -9.454 -13.973 -7.356 578 HG22 ILE 74 HG22 ILE 74 -7.931 -14.291 -8.190 579 HG23 ILE 74 HG23 ILE 74 -8.886 -12.867 -8.606 580 HD11 ILE 74 HD11 ILE 74 -9.705 -9.725 -6.749 581 HD12 ILE 74 HD12 ILE 74 -9.765 -10.987 -7.980 582 HD13 ILE 74 HD13 ILE 74 -8.269 -10.086 -7.707 583 H LYS 75 H LYS 75 -5.019 -13.333 -6.508 584 HA LYS 75 HA LYS 75 -4.757 -15.598 -8.153 585 HB2 LYS 75 HB2 LYS 75 -3.512 -13.493 -8.475 586 HB3 LYS 75 HB3 LYS 75 -2.662 -13.741 -6.954 587 HG2 LYS 75 HG2 LYS 75 -1.594 -15.794 -7.937 588 HG3 LYS 75 HG3 LYS 75 -2.370 -15.418 -9.478 589 HD2 LYS 75 HD2 LYS 75 -0.374 -13.644 -8.012 590 HD3 LYS 75 HD3 LYS 75 -0.014 -14.645 -9.418 591 HE2 LYS 75 HE2 LYS 75 -1.974 -12.318 -9.396 592 HE3 LYS 75 HE3 LYS 75 -0.319 -12.250 -9.997 593 HZ1 LYS 75 HZ1 LYS 75 -0.867 -13.848 -11.687 594 HZ2 LYS 75 HZ2 LYS 75 -1.959 -12.561 -11.766 595 HZ3 LYS 75 HZ3 LYS 75 -2.432 -14.027 -11.078 596 H GLN 76 H GLN 76 -3.387 -14.872 -4.975 597 HA GLN 76 HA GLN 76 -1.929 -17.280 -4.635 598 HB2 GLN 76 HB2 GLN 76 -1.211 -15.298 -3.470 599 HB3 GLN 76 HB3 GLN 76 -2.782 -15.088 -2.708 600 HG2 GLN 76 HG2 GLN 76 -2.411 -16.991 -1.253 601 HG3 GLN 76 HG3 GLN 76 -0.936 -17.423 -2.119 602 HE21 GLN 76 HE21 GLN 76 -2.396 -14.948 -0.068 603 HE22 GLN 76 HE22 GLN 76 -0.914 -14.382 0.615 604 H HIS 77 H HIS 77 -5.229 -16.260 -3.683 605 HA HIS 77 HA HIS 77 -5.870 -18.452 -2.013 606 HB2 HIS 77 HB2 HIS 77 -7.339 -16.447 -2.245 607 HB3 HIS 77 HB3 HIS 77 -7.751 -16.934 -3.888 608 HD1 HIS 77 HD1 HIS 77 -8.236 -18.019 -0.289 609 HD2 HIS 77 HD2 HIS 77 -9.872 -18.737 -4.038 610 HE1 HIS 77 HE1 HIS 77 -10.311 -19.355 0.130 611 HE2 HIS 77 HE2 HIS 77 -11.377 -19.601 -2.127 612 H GLU 78 H GLU 78 -6.245 -18.005 -5.537 613 HA GLU 78 HA GLU 78 -7.436 -20.476 -6.161 614 HB2 GLU 78 HB2 GLU 78 -5.623 -18.769 -7.916 615 HB3 GLU 78 HB3 GLU 78 -6.708 -20.030 -8.493 616 HG2 GLU 78 HG2 GLU 78 -7.485 -17.402 -7.217 617 HG3 GLU 78 HG3 GLU 78 -7.680 -17.851 -8.905 618 H GLU 79 H GLU 79 -4.054 -19.545 -5.782 619 HA GLU 79 HA GLU 79 -2.892 -21.960 -6.733 620 HB2 GLU 79 HB2 GLU 79 -1.788 -19.835 -4.860 621 HB3 GLU 79 HB3 GLU 79 -0.838 -21.181 -5.482 622 HG2 GLU 79 HG2 GLU 79 -2.110 -18.977 -7.132 623 HG3 GLU 79 HG3 GLU 79 -0.398 -19.127 -6.734 624 H VAL 80 H VAL 80 -3.630 -20.767 -3.442 625 HA VAL 80 HA VAL 80 -2.709 -22.982 -1.977 626 HB VAL 80 HB VAL 80 -4.878 -20.938 -1.269 627 HG11 VAL 80 HG11 VAL 80 -4.550 -21.550 1.101 628 HG12 VAL 80 HG12 VAL 80 -3.437 -22.832 0.627 629 HG13 VAL 80 HG13 VAL 80 -5.137 -22.934 0.171 630 HG21 VAL 80 HG21 VAL 80 -2.660 -19.925 -1.683 631 HG22 VAL 80 HG22 VAL 80 -1.934 -21.002 -0.494 632 HG23 VAL 80 HG23 VAL 80 -3.109 -19.789 0.017 633 H GLU 81 H GLU 81 -5.779 -22.374 -3.610 634 HA GLU 81 HA GLU 81 -7.245 -24.552 -2.514 635 HB2 GLU 81 HB2 GLU 81 -7.657 -23.087 -5.158 636 HB3 GLU 81 HB3 GLU 81 -8.797 -24.225 -4.451 637 HG2 GLU 81 HG2 GLU 81 -8.041 -21.480 -3.443 638 HG3 GLU 81 HG3 GLU 81 -9.617 -22.040 -3.980 639 H LYS 82 H LYS 82 -5.362 -24.206 -5.565 640 HA LYS 82 HA LYS 82 -5.971 -26.883 -6.410 641 HB2 LYS 82 HB2 LYS 82 -4.534 -26.497 -8.322 642 HB3 LYS 82 HB3 LYS 82 -5.583 -25.122 -8.060 643 HG2 LYS 82 HG2 LYS 82 -3.642 -24.012 -8.586 644 HG3 LYS 82 HG3 LYS 82 -3.424 -24.123 -6.840 645 HD2 LYS 82 HD2 LYS 82 -1.966 -26.097 -7.138 646 HD3 LYS 82 HD3 LYS 82 -2.237 -26.046 -8.884 647 HE2 LYS 82 HE2 LYS 82 -0.074 -25.073 -8.385 648 HE3 LYS 82 HE3 LYS 82 -1.154 -23.796 -8.942 649 HZ1 LYS 82 HZ1 LYS 82 -1.539 -23.288 -6.536 650 HZ2 LYS 82 HZ2 LYS 82 0.021 -22.970 -7.089 651 HZ3 LYS 82 HZ3 LYS 82 -0.280 -24.347 -6.160 652 H ASP 83 H ASP 83 -3.479 -25.494 -4.431 653 HA ASP 83 HA ASP 83 -1.682 -27.756 -4.435 654 HB2 ASP 83 HB2 ASP 83 -2.002 -25.444 -2.475 655 HB3 ASP 83 HB3 ASP 83 -0.732 -26.656 -2.343 656 H LYS 84 H LYS 84 -4.397 -26.639 -2.502 657 HA LYS 84 HA LYS 84 -4.367 -28.444 -0.345 658 HB2 LYS 84 HB2 LYS 84 -5.698 -26.324 -0.555 659 HB3 LYS 84 HB3 LYS 84 -6.757 -27.135 -1.701 660 HG2 LYS 84 HG2 LYS 84 -7.396 -28.745 0.123 661 HG3 LYS 84 HG3 LYS 84 -6.417 -27.793 1.246 662 HD2 LYS 84 HD2 LYS 84 -8.881 -26.855 -0.275 663 HD3 LYS 84 HD3 LYS 84 -8.750 -27.113 1.463 664 HE2 LYS 84 HE2 LYS 84 -7.204 -25.217 1.663 665 HE3 LYS 84 HE3 LYS 84 -7.199 -24.999 -0.090 666 HZ1 LYS 84 HZ1 LYS 84 -9.596 -24.534 0.042 667 HZ2 LYS 84 HZ2 LYS 84 -8.667 -23.419 0.902 668 HZ3 LYS 84 HZ3 LYS 84 -9.519 -24.624 1.730 669 H LYS 85 H LYS 85 -5.963 -28.558 -3.483 670 HA LYS 85 HA LYS 85 -7.180 -31.142 -3.165 671 HB2 LYS 85 HB2 LYS 85 -6.750 -29.400 -5.632 672 HB3 LYS 85 HB3 LYS 85 -7.773 -30.834 -5.580 673 HG2 LYS 85 HG2 LYS 85 -9.353 -29.779 -4.100 674 HG3 LYS 85 HG3 LYS 85 -8.257 -28.433 -3.777 675 HD2 LYS 85 HD2 LYS 85 -10.037 -27.705 -5.298 676 HD3 LYS 85 HD3 LYS 85 -8.487 -27.684 -6.138 677 HE2 LYS 85 HE2 LYS 85 -9.074 -29.871 -7.198 678 HE3 LYS 85 HE3 LYS 85 -10.644 -29.811 -6.392 679 HZ1 LYS 85 HZ1 LYS 85 -11.110 -27.745 -7.575 680 HZ2 LYS 85 HZ2 LYS 85 -10.820 -29.011 -8.650 681 HZ3 LYS 85 HZ3 LYS 85 -9.626 -27.844 -8.374 682 H ALA 86 H ALA 86 -4.076 -30.003 -4.278 683 HA ALA 86 HA ALA 86 -3.361 -32.400 -5.764 684 HB1 ALA 86 HB1 ALA 86 -1.654 -30.012 -4.974 685 HB2 ALA 86 HB2 ALA 86 -2.519 -30.203 -6.500 686 HB3 ALA 86 HB3 ALA 86 -1.190 -31.293 -6.098 687 H LYS 87 H LYS 87 -3.889 -33.764 -3.850 688 HA LYS 87 HA LYS 87 -2.047 -33.885 -1.642 689 HB2 LYS 87 HB2 LYS 87 -4.328 -35.631 -2.599 690 HB3 LYS 87 HB3 LYS 87 -3.260 -36.219 -1.341 691 HG2 LYS 87 HG2 LYS 87 -4.683 -33.568 -1.017 692 HG3 LYS 87 HG3 LYS 87 -5.522 -35.083 -0.694 693 HD2 LYS 87 HD2 LYS 87 -4.684 -34.236 1.409 694 HD3 LYS 87 HD3 LYS 87 -3.739 -35.663 0.994 695 HE2 LYS 87 HE2 LYS 87 -1.895 -34.216 0.239 696 HE3 LYS 87 HE3 LYS 87 -2.857 -32.783 0.601 697 HZ1 LYS 87 HZ1 LYS 87 -1.939 -34.793 2.579 698 HZ2 LYS 87 HZ2 LYS 87 -2.847 -33.408 2.921 699 HZ3 LYS 87 HZ3 LYS 87 -1.274 -33.262 2.331 700 H GLN 88 H GLN 88 -2.803 -36.403 -4.063 701 HA GLN 88 HA GLN 88 -0.032 -37.318 -4.060 702 HB2 GLN 88 HB2 GLN 88 -2.059 -38.883 -3.991 703 HB3 GLN 88 HB3 GLN 88 -2.387 -38.432 -5.650 704 HG2 GLN 88 HG2 GLN 88 0.181 -39.762 -4.733 705 HG3 GLN 88 HG3 GLN 88 -1.210 -40.639 -5.348 706 HE21 GLN 88 HE21 GLN 88 -1.805 -40.294 -7.585 707 HE22 GLN 88 HE22 GLN 88 -0.606 -39.807 -8.733 708 H GLN 89 H GLN 89 0.755 -35.344 -4.876 709 HA GLN 89 HA GLN 89 1.277 -35.407 -7.701 710 HB2 GLN 89 HB2 GLN 89 -0.860 -34.041 -7.582 711 HB3 GLN 89 HB3 GLN 89 -0.029 -32.878 -6.558 712 HG2 GLN 89 HG2 GLN 89 -0.199 -32.092 -8.888 713 HG3 GLN 89 HG3 GLN 89 1.478 -32.291 -8.387 714 HE21 GLN 89 HE21 GLN 89 2.225 -32.466 -10.494 715 HE22 GLN 89 HE22 GLN 89 1.907 -33.836 -11.499 716 H LYS 90 H LYS 90 2.354 -35.356 -4.783 717 HA LYS 90 HA LYS 90 4.356 -33.163 -4.924 718 HB2 LYS 90 HB2 LYS 90 3.345 -34.636 -2.446 719 HB3 LYS 90 HB3 LYS 90 4.343 -33.186 -2.492 720 HG2 LYS 90 HG2 LYS 90 2.401 -31.944 -3.503 721 HG3 LYS 90 HG3 LYS 90 1.429 -33.408 -3.306 722 HD2 LYS 90 HD2 LYS 90 0.945 -31.968 -1.442 723 HD3 LYS 90 HD3 LYS 90 1.905 -33.313 -0.827 724 HE2 LYS 90 HE2 LYS 90 2.665 -31.214 0.159 725 HE3 LYS 90 HE3 LYS 90 3.927 -31.856 -0.891 726 HZ1 LYS 90 HZ1 LYS 90 3.620 -29.473 -1.182 727 HZ2 LYS 90 HZ2 LYS 90 2.004 -29.706 -1.622 728 HZ3 LYS 90 HZ3 LYS 90 3.240 -30.302 -2.606 729 H THR 91 H THR 91 6.270 -33.867 -3.262 730 HA THR 91 HA THR 91 7.491 -36.347 -3.951 731 HB THR 91 HB THR 91 8.958 -35.880 -1.918 732 HG1 THR 91 HG1 THR 91 7.267 -34.722 -0.735 733 HG21 THR 91 HG21 THR 91 9.589 -34.954 -4.120 734 HG22 THR 91 HG22 THR 91 10.015 -33.831 -2.828 735 HG23 THR 91 HG23 THR 91 8.586 -33.528 -3.819 736 H LEU 92 H LEU 92 6.181 -38.096 -3.654 737 HA LEU 92 HA LEU 92 4.105 -38.239 -1.736 738 HB2 LEU 92 HB2 LEU 92 4.180 -39.265 -4.078 739 HB3 LEU 92 HB3 LEU 92 5.206 -40.524 -3.435 740 HG LEU 92 HG LEU 92 2.764 -41.147 -3.778 741 HD11 LEU 92 HD11 LEU 92 2.494 -42.472 -1.773 742 HD12 LEU 92 HD12 LEU 92 3.718 -41.515 -0.935 743 HD13 LEU 92 HD13 LEU 92 4.171 -42.508 -2.321 744 HD21 LEU 92 HD21 LEU 92 1.080 -40.440 -2.149 745 HD22 LEU 92 HD22 LEU 92 1.708 -39.069 -3.058 746 HD23 LEU 92 HD23 LEU 92 2.243 -39.341 -1.397 747 H LYS 93 H LYS 93 4.980 -38.088 0.317 748 HA LYS 93 HA LYS 93 6.364 -40.480 1.385 749 HB2 LYS 93 HB2 LYS 93 7.408 -38.377 2.054 750 HB3 LYS 93 HB3 LYS 93 5.864 -37.730 2.606 751 HG2 LYS 93 HG2 LYS 93 5.784 -39.391 4.424 752 HG3 LYS 93 HG3 LYS 93 7.282 -40.124 3.846 753 HD2 LYS 93 HD2 LYS 93 7.015 -37.271 4.868 754 HD3 LYS 93 HD3 LYS 93 7.620 -38.628 5.818 755 HE2 LYS 93 HE2 LYS 93 9.523 -38.886 4.287 756 HE3 LYS 93 HE3 LYS 93 8.903 -37.587 3.263 757 HZ1 LYS 93 HZ1 LYS 93 10.652 -36.826 4.740 758 HZ2 LYS 93 HZ2 LYS 93 9.756 -37.286 6.093 759 HZ3 LYS 93 HZ3 LYS 93 9.195 -36.049 5.090 760 H GLN 94 H GLN 94 3.469 -38.452 1.643 761 HA GLN 94 HA GLN 94 2.108 -40.024 3.599 762 HB2 GLN 94 HB2 GLN 94 1.555 -37.633 3.192 763 HB3 GLN 94 HB3 GLN 94 0.959 -38.035 1.586 764 HG2 GLN 94 HG2 GLN 94 -0.811 -39.469 2.657 765 HG3 GLN 94 HG3 GLN 94 -0.230 -38.946 4.235 766 HE21 GLN 94 HE21 GLN 94 -2.266 -38.064 4.743 767 HE22 GLN 94 HE22 GLN 94 -2.847 -36.605 4.035 768 H SER 95 H SER 95 2.584 -42.102 2.673 769 HA SER 95 HA SER 95 0.921 -42.975 0.408 770 HB2 SER 95 HB2 SER 95 3.348 -43.628 0.398 771 HB3 SER 95 HB3 SER 95 3.099 -44.508 1.908 772 HG SER 95 HG SER 95 2.104 -45.065 -0.676 773 H ASP 96 H ASP 96 -1.030 -42.835 1.450 774 HA ASP 96 HA ASP 96 -1.546 -44.774 3.625 775 HB2 ASP 96 HB2 ASP 96 -1.216 -42.281 4.411 776 HB3 ASP 96 HB3 ASP 96 -2.772 -41.969 3.657 777 H THR 97 H THR 97 -3.696 -45.524 3.660 778 HA THR 97 HA THR 97 -4.833 -45.846 1.029 779 HB THR 97 HB THR 97 -6.452 -47.376 2.270 780 HG1 THR 97 HG1 THR 97 -5.972 -47.742 4.477 781 HG21 THR 97 HG21 THR 97 -4.317 -48.261 1.319 782 HG22 THR 97 HG22 THR 97 -4.777 -49.107 2.796 783 HG23 THR 97 HG23 THR 97 -3.496 -47.891 2.839 784 H LYS 98 H LYS 98 -5.480 -43.847 3.775 785 HA LYS 98 HA LYS 98 -7.954 -42.761 2.556 786 HB2 LYS 98 HB2 LYS 98 -8.550 -44.376 4.377 787 HB3 LYS 98 HB3 LYS 98 -7.563 -43.462 5.512 788 HG2 LYS 98 HG2 LYS 98 -9.080 -41.515 5.275 789 HG3 LYS 98 HG3 LYS 98 -10.068 -42.421 4.122 790 HD2 LYS 98 HD2 LYS 98 -10.718 -44.021 5.842 791 HD3 LYS 98 HD3 LYS 98 -9.584 -43.317 6.998 792 HE2 LYS 98 HE2 LYS 98 -12.037 -41.932 5.856 793 HE3 LYS 98 HE3 LYS 98 -11.901 -42.619 7.472 794 HZ1 LYS 98 HZ1 LYS 98 -11.567 -40.226 7.473 795 HZ2 LYS 98 HZ2 LYS 98 -10.249 -40.376 6.422 796 HZ3 LYS 98 HZ3 LYS 98 -10.165 -41.022 7.985 797 H VAL 99 H VAL 99 -8.331 -40.526 3.083 798 HA VAL 99 HA VAL 99 -5.979 -39.015 3.935 799 HB VAL 99 HB VAL 99 -7.267 -36.968 3.309 800 HG11 VAL 99 HG11 VAL 99 -5.790 -38.049 1.668 801 HG12 VAL 99 HG12 VAL 99 -7.179 -37.319 0.866 802 HG13 VAL 99 HG13 VAL 99 -7.122 -39.066 1.110 803 HG21 VAL 99 HG21 VAL 99 -9.451 -38.870 2.359 804 HG22 VAL 99 HG22 VAL 99 -9.397 -37.132 2.050 805 HG23 VAL 99 HG23 VAL 99 -9.579 -37.728 3.701 Start of MODEL 12 1 H2 GLY 1 H2 GLY 1 -8.919 12.942 22.133 2 H GLY 1 H1 GLY 1 -9.313 14.213 23.167 3 H3 GLY 1 H3 GLY 1 -10.049 14.104 21.655 4 HA2 GLY 1 HA2 GLY 1 -7.167 14.620 22.156 5 HA3 GLY 1 HA3 GLY 1 -7.917 14.448 20.571 6 H VAL 2 H VAL 2 -8.235 16.397 19.611 7 HA VAL 2 HA VAL 2 -8.390 18.865 21.122 8 HB VAL 2 HB VAL 2 -8.844 18.498 18.120 9 HG11 VAL 2 HG11 VAL 2 -7.934 20.931 19.697 10 HG12 VAL 2 HG12 VAL 2 -9.521 20.691 18.966 11 HG13 VAL 2 HG13 VAL 2 -8.096 20.845 17.940 12 HG21 VAL 2 HG21 VAL 2 -6.686 17.470 18.700 13 HG22 VAL 2 HG22 VAL 2 -6.170 18.956 19.499 14 HG23 VAL 2 HG23 VAL 2 -6.450 18.941 17.756 15 H GLU 3 H GLU 3 -10.299 18.785 22.325 16 HA GLU 3 HA GLU 3 -12.825 18.065 20.974 17 HB2 GLU 3 HB2 GLU 3 -12.198 18.212 23.941 18 HB3 GLU 3 HB3 GLU 3 -13.713 17.669 23.231 19 HG2 GLU 3 HG2 GLU 3 -11.017 16.305 23.108 20 HG3 GLU 3 HG3 GLU 3 -12.497 15.711 23.861 21 H LYS 4 H LYS 4 -13.898 19.684 20.189 22 HA LYS 4 HA LYS 4 -14.868 21.645 19.745 23 HB2 LYS 4 HB2 LYS 4 -16.008 20.844 22.022 24 HB3 LYS 4 HB3 LYS 4 -15.244 22.277 22.683 25 HG2 LYS 4 HG2 LYS 4 -17.281 22.188 20.424 26 HG3 LYS 4 HG3 LYS 4 -17.569 22.727 22.076 27 HD2 LYS 4 HD2 LYS 4 -16.009 24.628 21.711 28 HD3 LYS 4 HD3 LYS 4 -15.748 24.082 20.055 29 HE2 LYS 4 HE2 LYS 4 -17.334 25.911 20.045 30 HE3 LYS 4 HE3 LYS 4 -18.185 24.432 19.596 31 HZ1 LYS 4 HZ1 LYS 4 -18.182 25.684 22.292 32 HZ2 LYS 4 HZ2 LYS 4 -19.010 24.277 21.866 33 HZ3 LYS 4 HZ3 LYS 4 -19.455 25.755 21.178 34 H THR 5 H THR 5 -13.264 22.861 18.839 35 HA THR 5 HA THR 5 -12.094 24.983 20.506 36 HB THR 5 HB THR 5 -9.990 24.853 19.075 37 HG1 THR 5 HG1 THR 5 -9.809 23.318 17.603 38 HG21 THR 5 HG21 THR 5 -8.936 23.017 20.324 39 HG22 THR 5 HG22 THR 5 -10.519 22.374 20.764 40 HG23 THR 5 HG23 THR 5 -9.994 23.939 21.390 41 H ALA 6 H ALA 6 -11.869 26.934 19.491 42 HA ALA 6 HA ALA 6 -12.503 27.263 16.644 43 HB1 ALA 6 HB1 ALA 6 -14.656 27.572 17.819 44 HB2 ALA 6 HB2 ALA 6 -14.096 29.099 17.135 45 HB3 ALA 6 HB3 ALA 6 -13.925 28.790 18.865 46 H GLY 7 H GLY 7 -10.048 27.264 17.992 47 HA2 GLY 7 HA2 GLY 7 -9.035 29.798 18.745 48 HA3 GLY 7 HA3 GLY 7 -8.088 28.423 18.199 49 H GLU 8 H GLU 8 -9.622 31.364 17.330 50 HA GLU 8 HA GLU 8 -9.447 32.855 15.658 51 HB2 GLU 8 HB2 GLU 8 -7.142 31.190 14.542 52 HB3 GLU 8 HB3 GLU 8 -7.492 32.878 14.182 53 HG2 GLU 8 HG2 GLU 8 -6.865 33.560 16.395 54 HG3 GLU 8 HG3 GLU 8 -6.740 31.890 16.943 55 H THR 9 H THR 9 -8.405 30.042 13.801 56 HA THR 9 HA THR 9 -10.682 29.350 12.347 57 HB THR 9 HB THR 9 -10.637 31.734 11.532 58 HG1 THR 9 HG1 THR 9 -11.522 30.443 10.031 59 HG21 THR 9 HG21 THR 9 -8.860 32.512 10.019 60 HG22 THR 9 HG22 THR 9 -7.951 31.027 10.288 61 HG23 THR 9 HG23 THR 9 -8.199 32.159 11.620 62 H SER 10 H SER 10 -9.666 28.534 9.935 63 HA SER 10 HA SER 10 -7.448 26.796 10.540 64 HB2 SER 10 HB2 SER 10 -9.237 26.051 9.013 65 HB3 SER 10 HB3 SER 10 -8.859 27.359 7.891 66 HG SER 10 HG SER 10 -6.875 26.392 7.482 67 H ALA 11 H ALA 11 -6.002 28.573 11.200 68 HA ALA 11 HA ALA 11 -4.972 30.475 9.314 69 HB1 ALA 11 HB1 ALA 11 -3.365 31.062 11.099 70 HB2 ALA 11 HB2 ALA 11 -3.882 29.656 12.032 71 HB3 ALA 11 HB3 ALA 11 -5.013 30.971 11.722 72 H THR 12 H THR 12 -3.183 30.376 8.098 73 HA THR 12 HA THR 12 -1.476 29.609 6.863 74 HB THR 12 HB THR 12 -0.959 27.331 8.833 75 HG1 THR 12 HG1 THR 12 -0.233 28.755 10.214 76 HG21 THR 12 HG21 THR 12 0.931 28.884 6.995 77 HG22 THR 12 HG22 THR 12 0.330 27.253 6.683 78 HG23 THR 12 HG23 THR 12 1.377 27.556 8.066 79 H ASP 13 H ASP 13 -1.434 28.399 5.017 80 HA ASP 13 HA ASP 13 -3.526 26.460 4.498 81 HB2 ASP 13 HB2 ASP 13 -2.779 28.016 2.747 82 HB3 ASP 13 HB3 ASP 13 -1.147 27.357 2.804 83 H THR 14 H THR 14 0.027 26.320 4.425 84 HA THR 14 HA THR 14 0.049 23.407 4.685 85 HB THR 14 HB THR 14 1.602 24.590 3.092 86 HG1 THR 14 HG1 THR 14 2.277 22.602 3.611 87 HG21 THR 14 HG21 THR 14 3.070 25.510 5.596 88 HG22 THR 14 HG22 THR 14 2.191 26.567 4.491 89 HG23 THR 14 HG23 THR 14 3.622 25.706 3.928 90 H GLY 15 H GLY 15 2.349 22.999 6.286 91 HA2 GLY 15 HA2 GLY 15 3.328 23.191 8.351 92 HA3 GLY 15 HA3 GLY 15 2.410 24.664 8.618 93 H LYS 16 H LYS 16 0.188 24.443 9.315 94 HA LYS 16 HA LYS 16 -0.107 22.690 11.503 95 HB2 LYS 16 HB2 LYS 16 -1.134 24.981 11.276 96 HB3 LYS 16 HB3 LYS 16 -2.301 24.310 10.138 97 HG2 LYS 16 HG2 LYS 16 -3.316 22.950 11.841 98 HG3 LYS 16 HG3 LYS 16 -1.990 23.261 12.966 99 HD2 LYS 16 HD2 LYS 16 -2.657 25.691 12.981 100 HD3 LYS 16 HD3 LYS 16 -4.066 25.263 12.008 101 HE2 LYS 16 HE2 LYS 16 -4.975 23.913 13.794 102 HE3 LYS 16 HE3 LYS 16 -3.478 24.049 14.725 103 HZ1 LYS 16 HZ1 LYS 16 -3.884 26.456 14.907 104 HZ2 LYS 16 HZ2 LYS 16 -5.109 25.536 15.612 105 HZ3 LYS 16 HZ3 LYS 16 -5.372 26.270 14.117 106 H ARG 17 H ARG 17 -1.585 22.671 8.252 107 HA ARG 17 HA ARG 17 -3.053 20.220 8.588 108 HB2 ARG 17 HB2 ARG 17 -2.063 21.582 6.041 109 HB3 ARG 17 HB3 ARG 17 -3.142 20.194 6.078 110 HG2 ARG 17 HG2 ARG 17 -4.820 21.633 7.318 111 HG3 ARG 17 HG3 ARG 17 -3.759 23.013 7.015 112 HD2 ARG 17 HD2 ARG 17 -3.899 22.459 4.545 113 HD3 ARG 17 HD3 ARG 17 -5.130 21.264 4.950 114 HE ARG 17 HE ARG 17 -6.360 23.300 5.944 115 HH11 ARG 17 HH11 ARG 17 -4.339 23.399 3.089 116 HH12 ARG 17 HH12 ARG 17 -5.199 24.718 2.364 117 HH21 ARG 17 HH21 ARG 17 -7.531 25.016 4.942 118 HH22 ARG 17 HH22 ARG 17 -6.996 25.623 3.405 119 H GLU 18 H GLU 18 0.231 21.052 7.630 120 HA GLU 18 HA GLU 18 0.924 18.646 6.316 121 HB2 GLU 18 HB2 GLU 18 2.141 20.854 6.073 122 HB3 GLU 18 HB3 GLU 18 2.859 20.584 7.654 123 HG2 GLU 18 HG2 GLU 18 4.492 19.935 6.060 124 HG3 GLU 18 HG3 GLU 18 3.847 18.435 6.726 125 H LYS 19 H LYS 19 1.285 19.722 9.673 126 HA LYS 19 HA LYS 19 2.837 17.651 10.760 127 HB2 LYS 19 HB2 LYS 19 0.573 19.234 12.057 128 HB3 LYS 19 HB3 LYS 19 1.750 18.272 12.945 129 HG2 LYS 19 HG2 LYS 19 3.542 19.773 12.317 130 HG3 LYS 19 HG3 LYS 19 2.477 20.661 11.226 131 HD2 LYS 19 HD2 LYS 19 1.082 21.340 13.193 132 HD3 LYS 19 HD3 LYS 19 2.236 20.533 14.260 133 HE2 LYS 19 HE2 LYS 19 2.872 22.868 12.422 134 HE3 LYS 19 HE3 LYS 19 2.602 22.978 14.160 135 HZ1 LYS 19 HZ1 LYS 19 4.948 22.945 13.655 136 HZ2 LYS 19 HZ2 LYS 19 4.791 21.478 12.835 137 HZ3 LYS 19 HZ3 LYS 19 4.526 21.542 14.497 138 H GLN 20 H GLN 20 -0.658 17.938 10.304 139 HA GLN 20 HA GLN 20 -1.405 15.433 11.489 140 HB2 GLN 20 HB2 GLN 20 -2.984 17.159 9.520 141 HB3 GLN 20 HB3 GLN 20 -3.643 15.921 10.584 142 HG2 GLN 20 HG2 GLN 20 -2.402 18.547 11.452 143 HG3 GLN 20 HG3 GLN 20 -4.121 18.158 11.432 144 HE21 GLN 20 HE21 GLN 20 -4.948 16.725 13.009 145 HE22 GLN 20 HE22 GLN 20 -4.087 16.355 14.458 146 H LEU 21 H LEU 21 -0.564 16.524 8.257 147 HA LEU 21 HA LEU 21 -1.487 14.217 6.839 148 HB2 LEU 21 HB2 LEU 21 -1.197 16.530 5.884 149 HB3 LEU 21 HB3 LEU 21 0.539 16.300 5.915 150 HG LEU 21 HG LEU 21 -1.143 14.292 4.381 151 HD11 LEU 21 HD11 LEU 21 -0.395 16.998 3.228 152 HD12 LEU 21 HD12 LEU 21 -2.024 16.482 3.659 153 HD13 LEU 21 HD13 LEU 21 -1.159 15.658 2.366 154 HD21 LEU 21 HD21 LEU 21 0.820 14.234 2.885 155 HD22 LEU 21 HD22 LEU 21 1.251 13.859 4.550 156 HD23 LEU 21 HD23 LEU 21 1.623 15.452 3.882 157 H GLN 22 H GLN 22 1.555 15.103 8.424 158 HA GLN 22 HA GLN 22 3.163 13.020 7.320 159 HB2 GLN 22 HB2 GLN 22 3.503 14.387 10.019 160 HB3 GLN 22 HB3 GLN 22 4.720 13.434 9.184 161 HG2 GLN 22 HG2 GLN 22 3.698 16.183 8.526 162 HG3 GLN 22 HG3 GLN 22 5.347 15.676 8.862 163 HE21 GLN 22 HE21 GLN 22 2.876 15.984 6.453 164 HE22 GLN 22 HE22 GLN 22 3.859 15.597 5.092 165 H GLN 23 H GLN 23 1.070 13.263 10.169 166 HA GLN 23 HA GLN 23 1.533 10.707 11.313 167 HB2 GLN 23 HB2 GLN 23 -0.977 12.436 11.345 168 HB3 GLN 23 HB3 GLN 23 -0.732 11.026 12.368 169 HG2 GLN 23 HG2 GLN 23 1.114 12.120 13.508 170 HG3 GLN 23 HG3 GLN 23 0.992 13.518 12.440 171 HE21 GLN 23 HE21 GLN 23 0.710 13.307 15.385 172 HE22 GLN 23 HE22 GLN 23 -0.828 13.999 15.750 173 H TRP 24 H TRP 24 -0.662 11.815 8.769 174 HA TRP 24 HA TRP 24 -2.096 9.389 8.387 175 HB2 TRP 24 HB2 TRP 24 -2.976 11.542 7.562 176 HB3 TRP 24 HB3 TRP 24 -1.612 11.712 6.463 177 HD1 TRP 24 HD1 TRP 24 -3.461 8.338 6.723 178 HE1 TRP 24 HE1 TRP 24 -4.670 7.891 4.504 179 HE3 TRP 24 HE3 TRP 24 -2.721 12.868 4.431 180 HZ2 TRP 24 HZ2 TRP 24 -5.267 9.244 2.128 181 HZ3 TRP 24 HZ3 TRP 24 -3.663 13.205 2.177 182 HH2 TRP 24 HH2 TRP 24 -4.909 11.427 1.048 183 H LYS 25 H LYS 25 0.818 10.763 6.844 184 HA LYS 25 HA LYS 25 1.386 8.897 4.883 185 HB2 LYS 25 HB2 LYS 25 3.311 10.402 6.706 186 HB3 LYS 25 HB3 LYS 25 3.866 9.399 5.371 187 HG2 LYS 25 HG2 LYS 25 2.667 10.851 3.774 188 HG3 LYS 25 HG3 LYS 25 2.123 11.873 5.113 189 HD2 LYS 25 HD2 LYS 25 4.432 12.461 5.661 190 HD3 LYS 25 HD3 LYS 25 5.045 11.341 4.440 191 HE2 LYS 25 HE2 LYS 25 4.036 12.712 2.664 192 HE3 LYS 25 HE3 LYS 25 3.387 13.818 3.880 193 HZ1 LYS 25 HZ1 LYS 25 5.633 14.362 4.557 194 HZ2 LYS 25 HZ2 LYS 25 5.440 14.640 2.906 195 HZ3 LYS 25 HZ3 LYS 25 6.273 13.277 3.433 196 H ASN 26 H ASN 26 2.227 8.833 8.316 197 HA ASN 26 HA ASN 26 3.913 6.641 8.434 198 HB2 ASN 26 HB2 ASN 26 1.975 7.667 10.558 199 HB3 ASN 26 HB3 ASN 26 3.266 6.511 10.874 200 HD21 ASN 26 HD21 ASN 26 2.753 9.309 11.824 201 HD22 ASN 26 HD22 ASN 26 4.233 10.148 11.528 202 H ASN 27 H ASN 27 0.376 6.741 8.839 203 HA ASN 27 HA ASN 27 0.082 3.967 9.424 204 HB2 ASN 27 HB2 ASN 27 -1.974 6.021 8.517 205 HB3 ASN 27 HB3 ASN 27 -2.363 4.385 9.049 206 HD21 ASN 27 HD21 ASN 27 -3.519 4.935 10.814 207 HD22 ASN 27 HD22 ASN 27 -2.880 5.727 12.211 208 H LEU 28 H LEU 28 -0.079 5.849 6.443 209 HA LEU 28 HA LEU 28 -1.108 3.871 4.722 210 HB2 LEU 28 HB2 LEU 28 0.758 6.193 4.108 211 HB3 LEU 28 HB3 LEU 28 0.006 5.194 2.876 212 HG LEU 28 HG LEU 28 -1.498 6.954 4.854 213 HD11 LEU 28 HD11 LEU 28 -1.997 8.390 2.918 214 HD12 LEU 28 HD12 LEU 28 -0.986 7.370 1.889 215 HD13 LEU 28 HD13 LEU 28 -0.262 8.285 3.213 216 HD21 LEU 28 HD21 LEU 28 -3.501 6.443 3.508 217 HD22 LEU 28 HD22 LEU 28 -2.828 4.990 4.236 218 HD23 LEU 28 HD23 LEU 28 -2.561 5.314 2.523 219 H LYS 29 H LYS 29 2.312 4.722 5.472 220 HA LYS 29 HA LYS 29 3.519 2.624 3.990 221 HB2 LYS 29 HB2 LYS 29 4.553 4.185 6.387 222 HB3 LYS 29 HB3 LYS 29 5.495 2.903 5.641 223 HG2 LYS 29 HG2 LYS 29 6.411 4.600 4.442 224 HG3 LYS 29 HG3 LYS 29 4.987 4.397 3.430 225 HD2 LYS 29 HD2 LYS 29 5.420 6.757 3.920 226 HD3 LYS 29 HD3 LYS 29 3.873 6.241 4.599 227 HE2 LYS 29 HE2 LYS 29 5.075 7.661 6.190 228 HE3 LYS 29 HE3 LYS 29 4.938 6.026 6.833 229 HZ1 LYS 29 HZ1 LYS 29 7.126 6.841 7.216 230 HZ2 LYS 29 HZ2 LYS 29 7.322 7.276 5.605 231 HZ3 LYS 29 HZ3 LYS 29 7.243 5.649 6.030 232 H ASN 30 H ASN 30 2.219 2.735 7.275 233 HA ASN 30 HA ASN 30 3.303 0.341 8.290 234 HB2 ASN 30 HB2 ASN 30 0.684 1.748 9.023 235 HB3 ASN 30 HB3 ASN 30 1.313 0.354 9.901 236 HD21 ASN 30 HD21 ASN 30 0.808 3.020 10.870 237 HD22 ASN 30 HD22 ASN 30 2.301 3.629 11.479 238 H ASP 31 H ASP 31 0.232 0.936 6.604 239 HA ASP 31 HA ASP 31 -0.639 -1.761 6.570 240 HB2 ASP 31 HB2 ASP 31 -1.419 0.650 4.890 241 HB3 ASP 31 HB3 ASP 31 -2.120 -0.936 4.594 242 H VAL 32 H VAL 32 1.141 0.211 4.167 243 HA VAL 32 HA VAL 32 1.342 -1.634 2.075 244 HB VAL 32 HB VAL 32 3.334 0.519 2.938 245 HG11 VAL 32 HG11 VAL 32 4.342 0.393 0.687 246 HG12 VAL 32 HG12 VAL 32 3.318 -0.990 0.291 247 HG13 VAL 32 HG13 VAL 32 4.541 -1.129 1.554 248 HG21 VAL 32 HG21 VAL 32 2.345 1.850 1.124 249 HG22 VAL 32 HG22 VAL 32 1.104 1.342 2.273 250 HG23 VAL 32 HG23 VAL 32 1.255 0.518 0.722 251 H ASP 33 H ASP 33 3.270 -1.344 5.011 252 HA ASP 33 HA ASP 33 5.210 -3.366 4.330 253 HB2 ASP 33 HB2 ASP 33 5.812 -1.514 5.822 254 HB3 ASP 33 HB3 ASP 33 4.568 -1.982 6.978 255 H ASN 34 H ASN 34 2.252 -3.230 6.274 256 HA ASN 34 HA ASN 34 2.519 -5.803 7.508 257 HB2 ASN 34 HB2 ASN 34 0.208 -3.842 7.313 258 HB3 ASN 34 HB3 ASN 34 0.006 -5.416 8.075 259 HD21 ASN 34 HD21 ASN 34 -0.153 -2.695 9.244 260 HD22 ASN 34 HD22 ASN 34 0.971 -2.696 10.550 261 H THR 35 H THR 35 1.144 -4.697 4.518 262 HA THR 35 HA THR 35 -0.505 -7.007 3.984 263 HB THR 35 HB THR 35 -0.549 -6.001 1.627 264 HG1 THR 35 HG1 THR 35 0.480 -3.625 2.622 265 HG21 THR 35 HG21 THR 35 -1.361 -4.164 3.904 266 HG22 THR 35 HG22 THR 35 -2.339 -5.471 3.232 267 HG23 THR 35 HG23 THR 35 -1.950 -4.062 2.244 268 H ILE 36 H ILE 36 -0.092 -8.320 1.966 269 HA ILE 36 HA ILE 36 2.474 -9.632 2.278 270 HB ILE 36 HB ILE 36 1.560 -11.411 0.843 271 HG12 ILE 36 HG12 ILE 36 -0.945 -9.687 0.490 272 HG13 ILE 36 HG13 ILE 36 0.299 -9.883 -0.738 273 HG21 ILE 36 HG21 ILE 36 -0.515 -10.509 2.879 274 HG22 ILE 36 HG22 ILE 36 0.933 -11.457 3.230 275 HG23 ILE 36 HG23 ILE 36 -0.345 -12.141 2.224 276 HD11 ILE 36 HD11 ILE 36 -1.381 -12.118 0.386 277 HD12 ILE 36 HD12 ILE 36 -0.189 -12.240 -0.910 278 HD13 ILE 36 HD13 ILE 36 -1.652 -11.287 -1.145 279 H LEU 37 H LEU 37 2.216 -6.941 0.747 280 HA LEU 37 HA LEU 37 2.441 -7.249 -2.010 281 HB2 LEU 37 HB2 LEU 37 3.806 -5.109 -0.347 282 HB3 LEU 37 HB3 LEU 37 3.451 -5.017 -2.063 283 HG LEU 37 HG LEU 37 1.468 -4.949 0.226 284 HD11 LEU 37 HD11 LEU 37 2.654 -2.842 -0.129 285 HD12 LEU 37 HD12 LEU 37 0.958 -2.691 -0.578 286 HD13 LEU 37 HD13 LEU 37 2.188 -2.847 -1.835 287 HD21 LEU 37 HD21 LEU 37 0.858 -4.997 -2.736 288 HD22 LEU 37 HD22 LEU 37 -0.303 -4.653 -1.450 289 HD23 LEU 37 HD23 LEU 37 0.450 -6.241 -1.546 290 H SER 38 H SER 38 4.203 -7.247 -3.425 291 HA SER 38 HA SER 38 6.529 -8.698 -2.823 292 HB2 SER 38 HB2 SER 38 5.645 -8.396 -5.138 293 HB3 SER 38 HB3 SER 38 6.056 -6.684 -5.064 294 HG SER 38 HG SER 38 7.577 -8.509 -6.004 295 H HIS 39 H HIS 39 8.671 -7.990 -2.489 296 HA HIS 39 HA HIS 39 9.166 -5.939 -0.698 297 HB2 HIS 39 HB2 HIS 39 10.677 -7.837 -0.978 298 HB3 HIS 39 HB3 HIS 39 11.087 -7.330 -2.608 299 HD1 HIS 39 HD1 HIS 39 11.541 -6.225 0.986 300 HD2 HIS 39 HD2 HIS 39 13.254 -5.634 -2.747 301 HE1 HIS 39 HE1 HIS 39 13.619 -4.895 1.407 302 HE2 HIS 39 HE2 HIS 39 14.744 -4.745 -0.826 303 H GLU 40 H GLU 40 9.488 -5.993 -4.191 304 HA GLU 40 HA GLU 40 10.629 -3.481 -4.714 305 HB2 GLU 40 HB2 GLU 40 8.576 -4.979 -6.414 306 HB3 GLU 40 HB3 GLU 40 9.718 -3.756 -6.975 307 HG2 GLU 40 HG2 GLU 40 11.604 -5.248 -6.477 308 HG3 GLU 40 HG3 GLU 40 10.488 -6.457 -5.841 309 H GLN 41 H GLN 41 7.181 -4.454 -4.581 310 HA GLN 41 HA GLN 41 5.955 -2.027 -5.209 311 HB2 GLN 41 HB2 GLN 41 4.940 -4.223 -3.344 312 HB3 GLN 41 HB3 GLN 41 3.943 -2.935 -4.014 313 HG2 GLN 41 HG2 GLN 41 5.367 -5.065 -5.615 314 HG3 GLN 41 HG3 GLN 41 3.654 -5.060 -5.212 315 HE21 GLN 41 HE21 GLN 41 3.270 -2.210 -5.705 316 HE22 GLN 41 HE22 GLN 41 3.356 -1.985 -7.411 317 H LYS 42 H LYS 42 6.912 -3.356 -2.070 318 HA LYS 42 HA LYS 42 5.875 -1.288 -0.463 319 HB2 LYS 42 HB2 LYS 42 8.100 -3.291 0.094 320 HB3 LYS 42 HB3 LYS 42 7.424 -2.210 1.313 321 HG2 LYS 42 HG2 LYS 42 5.184 -3.226 0.961 322 HG3 LYS 42 HG3 LYS 42 5.888 -4.348 -0.210 323 HD2 LYS 42 HD2 LYS 42 7.300 -5.330 1.551 324 HD3 LYS 42 HD3 LYS 42 6.678 -4.164 2.724 325 HE2 LYS 42 HE2 LYS 42 4.413 -5.103 2.463 326 HE3 LYS 42 HE3 LYS 42 5.021 -6.267 1.288 327 HZ1 LYS 42 HZ1 LYS 42 4.781 -7.211 3.517 328 HZ2 LYS 42 HZ2 LYS 42 5.890 -6.095 4.128 329 HZ3 LYS 42 HZ3 LYS 42 6.392 -7.257 3.005 330 H ASN 43 H ASN 43 9.068 -1.703 -1.978 331 HA ASN 43 HA ASN 43 10.360 0.490 -0.746 332 HB2 ASN 43 HB2 ASN 43 10.894 -1.024 -3.323 333 HB3 ASN 43 HB3 ASN 43 11.818 0.422 -2.964 334 HD21 ASN 43 HD21 ASN 43 11.463 -2.897 -2.279 335 HD22 ASN 43 HD22 ASN 43 12.743 -3.024 -1.133 336 H GLU 44 H GLU 44 8.546 0.305 -3.829 337 HA GLU 44 HA GLU 44 8.937 3.014 -4.525 338 HB2 GLU 44 HB2 GLU 44 6.985 0.902 -5.455 339 HB3 GLU 44 HB3 GLU 44 6.754 2.573 -5.961 340 HG2 GLU 44 HG2 GLU 44 7.946 1.545 -7.716 341 HG3 GLU 44 HG3 GLU 44 9.130 2.521 -6.861 342 H PHE 45 H PHE 45 6.070 1.410 -3.046 343 HA PHE 45 HA PHE 45 4.479 3.703 -2.857 344 HB2 PHE 45 HB2 PHE 45 4.393 1.146 -1.211 345 HB3 PHE 45 HB3 PHE 45 3.201 2.427 -1.027 346 HD1 PHE 45 HD1 PHE 45 2.435 3.306 -3.607 347 HD2 PHE 45 HD2 PHE 45 3.485 -0.660 -2.393 348 HE1 PHE 45 HE1 PHE 45 1.078 2.376 -5.436 349 HE2 PHE 45 HE2 PHE 45 2.127 -1.580 -4.230 350 HZ PHE 45 HZ PHE 45 0.923 -0.062 -5.746 351 H LYS 46 H LYS 46 6.449 2.182 -0.299 352 HA LYS 46 HA LYS 46 5.905 3.943 1.780 353 HB2 LYS 46 HB2 LYS 46 8.293 2.171 1.207 354 HB3 LYS 46 HB3 LYS 46 8.258 3.185 2.644 355 HG2 LYS 46 HG2 LYS 46 6.509 1.974 3.639 356 HG3 LYS 46 HG3 LYS 46 5.950 1.322 2.099 357 HD2 LYS 46 HD2 LYS 46 7.058 -0.369 3.610 358 HD3 LYS 46 HD3 LYS 46 7.754 -0.256 1.996 359 HE2 LYS 46 HE2 LYS 46 9.517 -0.469 3.662 360 HE3 LYS 46 HE3 LYS 46 9.607 1.117 2.900 361 HZ1 LYS 46 HZ1 LYS 46 9.923 1.241 5.290 362 HZ2 LYS 46 HZ2 LYS 46 8.415 0.532 5.557 363 HZ3 LYS 46 HZ3 LYS 46 8.515 2.065 4.846 364 H THR 47 H THR 47 8.337 4.288 -0.801 365 HA THR 47 HA THR 47 9.555 6.653 0.313 366 HB THR 47 HB THR 47 9.680 5.584 -2.550 367 HG1 THR 47 HG1 THR 47 10.506 4.168 -0.842 368 HG21 THR 47 HG21 THR 47 11.490 7.567 -1.108 369 HG22 THR 47 HG22 THR 47 10.376 7.949 -2.419 370 HG23 THR 47 HG23 THR 47 11.763 6.912 -2.731 371 H LYS 48 H LYS 48 7.170 6.032 -2.272 372 HA LYS 48 HA LYS 48 6.893 8.650 -3.252 373 HB2 LYS 48 HB2 LYS 48 4.930 6.321 -3.293 374 HB3 LYS 48 HB3 LYS 48 4.645 7.835 -4.145 375 HG2 LYS 48 HG2 LYS 48 6.523 7.465 -5.608 376 HG3 LYS 48 HG3 LYS 48 7.054 6.068 -4.664 377 HD2 LYS 48 HD2 LYS 48 4.926 4.893 -5.276 378 HD3 LYS 48 HD3 LYS 48 4.484 6.272 -6.286 379 HE2 LYS 48 HE2 LYS 48 6.407 5.885 -7.729 380 HE3 LYS 48 HE3 LYS 48 6.980 4.591 -6.672 381 HZ1 LYS 48 HZ1 LYS 48 4.498 4.581 -8.315 382 HZ2 LYS 48 HZ2 LYS 48 4.878 3.386 -7.183 383 HZ3 LYS 48 HZ3 LYS 48 5.871 3.618 -8.530 384 H ILE 49 H ILE 49 5.166 6.957 -0.665 385 HA ILE 49 HA ILE 49 3.118 8.828 -0.196 386 HB ILE 49 HB ILE 49 4.377 6.777 1.693 387 HG12 ILE 49 HG12 ILE 49 1.714 6.600 0.185 388 HG13 ILE 49 HG13 ILE 49 3.217 5.926 -0.436 389 HG21 ILE 49 HG21 ILE 49 2.344 6.993 3.092 390 HG22 ILE 49 HG22 ILE 49 1.772 8.309 2.063 391 HG23 ILE 49 HG23 ILE 49 3.238 8.512 3.021 392 HD11 ILE 49 HD11 ILE 49 1.849 5.107 2.122 393 HD12 ILE 49 HD12 ILE 49 3.347 4.427 1.483 394 HD13 ILE 49 HD13 ILE 49 1.838 4.222 0.595 395 H ASP 50 H ASP 50 6.380 8.548 1.165 396 HA ASP 50 HA ASP 50 6.100 10.782 2.964 397 HB2 ASP 50 HB2 ASP 50 8.532 9.252 1.980 398 HB3 ASP 50 HB3 ASP 50 8.651 10.593 3.110 399 H GLU 51 H GLU 51 7.241 10.422 -0.341 400 HA GLU 51 HA GLU 51 8.369 13.072 -0.548 401 HB2 GLU 51 HB2 GLU 51 7.623 11.045 -2.690 402 HB3 GLU 51 HB3 GLU 51 8.477 12.551 -3.002 403 HG2 GLU 51 HG2 GLU 51 9.462 10.210 -1.359 404 HG3 GLU 51 HG3 GLU 51 10.048 10.711 -2.944 405 H THR 52 H THR 52 5.213 11.722 -0.878 406 HA THR 52 HA THR 52 4.168 13.981 -2.430 407 HB THR 52 HB THR 52 2.830 11.375 -1.580 408 HG1 THR 52 HG1 THR 52 3.838 10.666 -3.267 409 HG21 THR 52 HG21 THR 52 1.058 11.966 -3.178 410 HG22 THR 52 HG22 THR 52 1.825 13.525 -3.485 411 HG23 THR 52 HG23 THR 52 1.153 13.170 -1.892 412 H ASN 53 H ASN 53 3.493 15.677 -1.344 413 HA ASN 53 HA ASN 53 2.168 15.458 1.298 414 HB2 ASN 53 HB2 ASN 53 3.317 17.879 -0.177 415 HB3 ASN 53 HB3 ASN 53 2.545 17.942 1.405 416 HD21 ASN 53 HD21 ASN 53 5.375 18.411 0.314 417 HD22 ASN 53 HD22 ASN 53 6.378 17.569 1.439 418 H ASP 54 H ASP 54 1.241 15.079 -1.707 419 HA ASP 54 HA ASP 54 -1.089 16.874 -1.777 420 HB2 ASP 54 HB2 ASP 54 0.265 16.530 -3.854 421 HB3 ASP 54 HB3 ASP 54 -0.143 14.817 -3.835 422 H SER 55 H SER 55 -3.067 16.172 -1.150 423 HA SER 55 HA SER 55 -3.359 13.739 0.272 424 HB2 SER 55 HB2 SER 55 -4.585 15.757 0.873 425 HB3 SER 55 HB3 SER 55 -5.468 15.724 -0.650 426 HG SER 55 HG SER 55 -6.835 14.740 0.705 427 H ASP 56 H ASP 56 -4.554 14.752 -2.952 428 HA ASP 56 HA ASP 56 -6.225 12.519 -3.467 429 HB2 ASP 56 HB2 ASP 56 -4.799 14.390 -5.405 430 HB3 ASP 56 HB3 ASP 56 -6.009 13.207 -5.901 431 H ALA 57 H ALA 57 -2.832 13.163 -4.227 432 HA ALA 57 HA ALA 57 -2.390 10.808 -5.767 433 HB1 ALA 57 HB1 ALA 57 -1.004 12.774 -6.061 434 HB2 ALA 57 HB2 ALA 57 -0.006 11.392 -5.612 435 HB3 ALA 57 HB3 ALA 57 -0.394 12.632 -4.412 436 H LEU 58 H LEU 58 -1.977 11.604 -2.321 437 HA LEU 58 HA LEU 58 -0.795 9.133 -1.516 438 HB2 LEU 58 HB2 LEU 58 -2.440 11.160 0.047 439 HB3 LEU 58 HB3 LEU 58 -1.720 9.741 0.795 440 HG LEU 58 HG LEU 58 -0.179 11.996 -0.550 441 HD11 LEU 58 HD11 LEU 58 0.597 12.573 1.705 442 HD12 LEU 58 HD12 LEU 58 -0.412 11.299 2.397 443 HD13 LEU 58 HD13 LEU 58 -1.159 12.682 1.598 444 HD21 LEU 58 HD21 LEU 58 0.959 9.859 -0.838 445 HD22 LEU 58 HD22 LEU 58 0.852 9.540 0.894 446 HD23 LEU 58 HD23 LEU 58 1.837 10.879 0.297 447 H LEU 59 H LEU 59 -4.130 10.194 -1.904 448 HA LEU 59 HA LEU 59 -5.439 7.867 -0.968 449 HB2 LEU 59 HB2 LEU 59 -6.312 9.969 -2.991 450 HB3 LEU 59 HB3 LEU 59 -7.369 8.683 -2.423 451 HG LEU 59 HG LEU 59 -6.126 10.799 -0.620 452 HD11 LEU 59 HD11 LEU 59 -8.969 10.650 -1.670 453 HD12 LEU 59 HD12 LEU 59 -7.743 11.824 -2.149 454 HD13 LEU 59 HD13 LEU 59 -8.353 11.821 -0.497 455 HD21 LEU 59 HD21 LEU 59 -8.223 8.692 -0.017 456 HD22 LEU 59 HD22 LEU 59 -7.704 9.972 1.084 457 HD23 LEU 59 HD23 LEU 59 -6.562 8.729 0.585 458 H GLU 60 H GLU 60 -4.138 8.781 -4.140 459 HA GLU 60 HA GLU 60 -5.063 6.538 -5.614 460 HB2 GLU 60 HB2 GLU 60 -4.235 8.581 -6.742 461 HB3 GLU 60 HB3 GLU 60 -2.608 8.289 -6.125 462 HG2 GLU 60 HG2 GLU 60 -2.561 6.142 -7.422 463 HG3 GLU 60 HG3 GLU 60 -4.138 6.556 -8.092 464 H LEU 61 H LEU 61 -1.963 7.206 -3.969 465 HA LEU 61 HA LEU 61 -0.610 4.812 -4.514 466 HB2 LEU 61 HB2 LEU 61 -0.389 6.629 -2.080 467 HB3 LEU 61 HB3 LEU 61 0.763 5.361 -2.476 468 HG LEU 61 HG LEU 61 0.209 7.788 -4.223 469 HD11 LEU 61 HD11 LEU 61 2.575 7.308 -2.388 470 HD12 LEU 61 HD12 LEU 61 1.279 8.477 -2.128 471 HD13 LEU 61 HD13 LEU 61 2.371 8.671 -3.496 472 HD21 LEU 61 HD21 LEU 61 2.346 5.657 -4.470 473 HD22 LEU 61 HD22 LEU 61 2.213 7.108 -5.468 474 HD23 LEU 61 HD23 LEU 61 0.953 5.878 -5.534 475 H GLU 62 H GLU 62 -2.933 5.659 -2.019 476 HA GLU 62 HA GLU 62 -2.808 3.287 -0.499 477 HB2 GLU 62 HB2 GLU 62 -3.851 5.379 0.350 478 HB3 GLU 62 HB3 GLU 62 -5.164 5.197 -0.811 479 HG2 GLU 62 HG2 GLU 62 -5.764 3.030 0.271 480 HG3 GLU 62 HG3 GLU 62 -4.498 3.310 1.466 481 H ASN 63 H ASN 63 -5.002 4.291 -3.153 482 HA ASN 63 HA ASN 63 -6.537 1.936 -3.280 483 HB2 ASN 63 HB2 ASN 63 -5.919 3.991 -5.440 484 HB3 ASN 63 HB3 ASN 63 -6.957 2.610 -5.756 485 HD21 ASN 63 HD21 ASN 63 -6.831 5.770 -4.535 486 HD22 ASN 63 HD22 ASN 63 -8.448 5.862 -3.944 487 H GLN 64 H GLN 64 -3.439 2.738 -4.718 488 HA GLN 64 HA GLN 64 -3.341 0.622 -6.612 489 HB2 GLN 64 HB2 GLN 64 -1.152 2.401 -5.464 490 HB3 GLN 64 HB3 GLN 64 -0.873 1.216 -6.738 491 HG2 GLN 64 HG2 GLN 64 -2.381 2.400 -8.240 492 HG3 GLN 64 HG3 GLN 64 -2.809 3.533 -6.955 493 HE21 GLN 64 HE21 GLN 64 -1.259 5.089 -6.306 494 HE22 GLN 64 HE22 GLN 64 0.066 5.522 -7.318 495 H PHE 65 H PHE 65 -2.025 0.970 -3.282 496 HA PHE 65 HA PHE 65 -0.700 -1.601 -3.437 497 HB2 PHE 65 HB2 PHE 65 0.292 -1.177 -1.389 498 HB3 PHE 65 HB3 PHE 65 0.007 0.456 -1.947 499 HD1 PHE 65 HD1 PHE 65 -1.424 1.945 -0.691 500 HD2 PHE 65 HD2 PHE 65 -1.134 -2.168 0.441 501 HE1 PHE 65 HE1 PHE 65 -2.547 2.444 1.439 502 HE2 PHE 65 HE2 PHE 65 -2.273 -1.655 2.562 503 HZ PHE 65 HZ PHE 65 -2.972 0.652 3.060 504 H ASN 66 H ASN 66 -3.761 -0.408 -2.179 505 HA ASN 66 HA ASN 66 -4.633 -2.804 -0.897 506 HB2 ASN 66 HB2 ASN 66 -6.174 -0.439 -2.044 507 HB3 ASN 66 HB3 ASN 66 -6.978 -1.779 -1.230 508 HD21 ASN 66 HD21 ASN 66 -6.886 1.062 -0.495 509 HD22 ASN 66 HD22 ASN 66 -6.225 1.120 1.100 510 H GLU 67 H GLU 67 -4.875 -1.560 -4.196 511 HA GLU 67 HA GLU 67 -6.586 -3.551 -5.249 512 HB2 GLU 67 HB2 GLU 67 -6.134 -1.347 -6.350 513 HB3 GLU 67 HB3 GLU 67 -4.500 -1.879 -6.721 514 HG2 GLU 67 HG2 GLU 67 -5.936 -2.064 -8.684 515 HG3 GLU 67 HG3 GLU 67 -5.388 -3.655 -8.166 516 H THR 68 H THR 68 -3.059 -3.117 -5.326 517 HA THR 68 HA THR 68 -2.328 -5.460 -6.673 518 HB THR 68 HB THR 68 -0.748 -3.866 -4.595 519 HG1 THR 68 HG1 THR 68 -1.444 -2.896 -6.716 520 HG21 THR 68 HG21 THR 68 0.274 -5.949 -6.574 521 HG22 THR 68 HG22 THR 68 0.249 -6.108 -4.817 522 HG23 THR 68 HG23 THR 68 1.286 -4.900 -5.569 523 H ASN 69 H ASN 69 -2.723 -4.833 -3.196 524 HA ASN 69 HA ASN 69 -1.780 -7.288 -2.214 525 HB2 ASN 69 HB2 ASN 69 -2.030 -5.314 -0.775 526 HB3 ASN 69 HB3 ASN 69 -3.782 -5.376 -0.951 527 HD21 ASN 69 HD21 ASN 69 -1.018 -7.342 0.127 528 HD22 ASN 69 HD22 ASN 69 -1.869 -8.142 1.402 529 H ARG 70 H ARG 70 -5.114 -6.196 -2.899 530 HA ARG 70 HA ARG 70 -6.408 -8.602 -2.204 531 HB2 ARG 70 HB2 ARG 70 -7.194 -6.235 -3.924 532 HB3 ARG 70 HB3 ARG 70 -8.212 -7.668 -3.909 533 HG2 ARG 70 HG2 ARG 70 -7.516 -5.961 -1.498 534 HG3 ARG 70 HG3 ARG 70 -9.057 -6.008 -2.361 535 HD2 ARG 70 HD2 ARG 70 -9.305 -8.400 -1.757 536 HD3 ARG 70 HD3 ARG 70 -7.799 -8.308 -0.841 537 HE ARG 70 HE ARG 70 -9.497 -6.341 0.159 538 HH11 ARG 70 HH11 ARG 70 -9.433 -9.877 -0.021 539 HH12 ARG 70 HH12 ARG 70 -10.360 -10.077 1.436 540 HH21 ARG 70 HH21 ARG 70 -10.678 -6.648 2.060 541 HH22 ARG 70 HH22 ARG 70 -11.059 -8.255 2.605 542 H LEU 71 H LEU 71 -5.179 -7.459 -5.366 543 HA LEU 71 HA LEU 71 -5.979 -9.585 -6.993 544 HB2 LEU 71 HB2 LEU 71 -3.506 -7.816 -7.198 545 HB3 LEU 71 HB3 LEU 71 -4.000 -8.931 -8.463 546 HG LEU 71 HG LEU 71 -5.668 -6.581 -7.494 547 HD11 LEU 71 HD11 LEU 71 -5.064 -5.468 -9.593 548 HD12 LEU 71 HD12 LEU 71 -4.001 -6.812 -10.016 549 HD13 LEU 71 HD13 LEU 71 -3.638 -5.803 -8.615 550 HD21 LEU 71 HD21 LEU 71 -6.103 -8.446 -9.845 551 HD22 LEU 71 HD22 LEU 71 -7.071 -7.019 -9.470 552 HD23 LEU 71 HD23 LEU 71 -7.060 -8.386 -8.361 553 H LEU 72 H LEU 72 -3.157 -9.262 -4.900 554 HA LEU 72 HA LEU 72 -1.802 -11.650 -5.607 555 HB2 LEU 72 HB2 LEU 72 -1.779 -10.095 -2.989 556 HB3 LEU 72 HB3 LEU 72 -0.680 -11.413 -3.364 557 HG LEU 72 HG LEU 72 -0.804 -8.804 -4.913 558 HD11 LEU 72 HD11 LEU 72 -0.058 -8.466 -2.586 559 HD12 LEU 72 HD12 LEU 72 1.242 -8.175 -3.737 560 HD13 LEU 72 HD13 LEU 72 1.207 -9.678 -2.811 561 HD21 LEU 72 HD21 LEU 72 1.302 -9.549 -5.930 562 HD22 LEU 72 HD22 LEU 72 -0.001 -10.685 -6.276 563 HD23 LEU 72 HD23 LEU 72 1.205 -11.076 -5.046 564 H HIS 73 H HIS 73 -4.096 -10.940 -2.923 565 HA HIS 73 HA HIS 73 -4.048 -13.529 -1.769 566 HB2 HIS 73 HB2 HIS 73 -6.232 -11.421 -1.587 567 HB3 HIS 73 HB3 HIS 73 -6.198 -12.894 -0.628 568 HD1 HIS 73 HD1 HIS 73 -3.980 -13.064 1.023 569 HD2 HIS 73 HD2 HIS 73 -5.069 -9.314 -0.383 570 HE1 HIS 73 HE1 HIS 73 -2.900 -11.392 2.575 571 HE2 HIS 73 HE2 HIS 73 -3.807 -9.188 1.853 572 H ILE 74 H ILE 74 -6.020 -12.100 -4.316 573 HA ILE 74 HA ILE 74 -8.014 -14.149 -4.481 574 HB ILE 74 HB ILE 74 -7.169 -11.949 -6.434 575 HG12 ILE 74 HG12 ILE 74 -9.711 -12.153 -4.742 576 HG13 ILE 74 HG13 ILE 74 -8.263 -11.304 -4.216 577 HG21 ILE 74 HG21 ILE 74 -9.264 -12.397 -7.692 578 HG22 ILE 74 HG22 ILE 74 -9.554 -13.825 -6.699 579 HG23 ILE 74 HG23 ILE 74 -8.147 -13.756 -7.762 580 HD11 ILE 74 HD11 ILE 74 -9.995 -10.601 -6.581 581 HD12 ILE 74 HD12 ILE 74 -8.483 -9.791 -6.154 582 HD13 ILE 74 HD13 ILE 74 -9.854 -9.730 -5.049 583 H LYS 75 H LYS 75 -5.142 -13.327 -6.471 584 HA LYS 75 HA LYS 75 -5.419 -15.464 -8.308 585 HB2 LYS 75 HB2 LYS 75 -4.138 -13.292 -8.649 586 HB3 LYS 75 HB3 LYS 75 -2.856 -13.950 -7.649 587 HG2 LYS 75 HG2 LYS 75 -3.435 -15.877 -9.743 588 HG3 LYS 75 HG3 LYS 75 -3.281 -14.288 -10.483 589 HD2 LYS 75 HD2 LYS 75 -1.102 -15.285 -10.522 590 HD3 LYS 75 HD3 LYS 75 -1.064 -14.027 -9.281 591 HE2 LYS 75 HE2 LYS 75 -1.353 -15.718 -7.537 592 HE3 LYS 75 HE3 LYS 75 -1.443 -16.993 -8.755 593 HZ1 LYS 75 HZ1 LYS 75 0.910 -15.266 -8.175 594 HZ2 LYS 75 HZ2 LYS 75 0.834 -16.408 -9.419 595 HZ3 LYS 75 HZ3 LYS 75 0.746 -16.911 -7.808 596 H GLN 76 H GLN 76 -3.575 -15.102 -5.299 597 HA GLN 76 HA GLN 76 -2.150 -17.571 -5.522 598 HB2 GLN 76 HB2 GLN 76 -1.237 -17.150 -3.402 599 HB3 GLN 76 HB3 GLN 76 -1.511 -15.541 -4.048 600 HG2 GLN 76 HG2 GLN 76 -3.600 -15.391 -2.693 601 HG3 GLN 76 HG3 GLN 76 -3.233 -16.966 -1.998 602 HE21 GLN 76 HE21 GLN 76 -0.884 -14.424 -2.684 603 HE22 GLN 76 HE22 GLN 76 -0.481 -14.117 -1.041 604 H HIS 77 H HIS 77 -5.255 -16.608 -4.149 605 HA HIS 77 HA HIS 77 -5.843 -18.963 -2.686 606 HB2 HIS 77 HB2 HIS 77 -7.231 -17.003 -2.346 607 HB3 HIS 77 HB3 HIS 77 -7.700 -16.955 -4.041 608 HD1 HIS 77 HD1 HIS 77 -8.052 -19.352 -1.088 609 HD2 HIS 77 HD2 HIS 77 -10.105 -18.156 -4.502 610 HE1 HIS 77 HE1 HIS 77 -10.173 -20.694 -1.111 611 HE2 HIS 77 HE2 HIS 77 -11.271 -20.112 -3.276 612 H GLU 78 H GLU 78 -6.287 -18.063 -6.059 613 HA GLU 78 HA GLU 78 -7.648 -20.365 -6.941 614 HB2 GLU 78 HB2 GLU 78 -5.787 -18.601 -8.583 615 HB3 GLU 78 HB3 GLU 78 -7.022 -19.692 -9.205 616 HG2 GLU 78 HG2 GLU 78 -7.470 -17.143 -7.633 617 HG3 GLU 78 HG3 GLU 78 -7.851 -17.434 -9.325 618 H GLU 79 H GLU 79 -4.249 -19.763 -6.353 619 HA GLU 79 HA GLU 79 -3.308 -22.246 -7.489 620 HB2 GLU 79 HB2 GLU 79 -1.938 -20.481 -5.411 621 HB3 GLU 79 HB3 GLU 79 -1.172 -21.712 -6.413 622 HG2 GLU 79 HG2 GLU 79 -1.666 -20.381 -8.433 623 HG3 GLU 79 HG3 GLU 79 -2.425 -19.139 -7.434 624 H VAL 80 H VAL 80 -4.162 -21.097 -4.229 625 HA VAL 80 HA VAL 80 -3.542 -23.441 -2.768 626 HB VAL 80 HB VAL 80 -5.583 -21.257 -2.072 627 HG11 VAL 80 HG11 VAL 80 -5.971 -23.281 -0.722 628 HG12 VAL 80 HG12 VAL 80 -5.321 -21.985 0.274 629 HG13 VAL 80 HG13 VAL 80 -4.275 -23.315 -0.232 630 HG21 VAL 80 HG21 VAL 80 -3.315 -20.353 -2.401 631 HG22 VAL 80 HG22 VAL 80 -2.659 -21.512 -1.244 632 HG23 VAL 80 HG23 VAL 80 -3.792 -20.266 -0.707 633 H GLU 81 H GLU 81 -6.231 -22.589 -4.803 634 HA GLU 81 HA GLU 81 -8.268 -24.250 -3.898 635 HB2 GLU 81 HB2 GLU 81 -7.584 -23.144 -6.635 636 HB3 GLU 81 HB3 GLU 81 -8.942 -24.246 -6.445 637 HG2 GLU 81 HG2 GLU 81 -8.636 -21.647 -4.921 638 HG3 GLU 81 HG3 GLU 81 -9.576 -21.827 -6.394 639 H LYS 82 H LYS 82 -5.567 -25.109 -6.158 640 HA LYS 82 HA LYS 82 -6.573 -27.766 -6.572 641 HB2 LYS 82 HB2 LYS 82 -4.301 -28.268 -7.618 642 HB3 LYS 82 HB3 LYS 82 -5.265 -27.019 -8.374 643 HG2 LYS 82 HG2 LYS 82 -3.047 -26.242 -8.444 644 HG3 LYS 82 HG3 LYS 82 -3.840 -25.314 -7.175 645 HD2 LYS 82 HD2 LYS 82 -2.776 -26.735 -5.464 646 HD3 LYS 82 HD3 LYS 82 -2.006 -27.695 -6.731 647 HE2 LYS 82 HE2 LYS 82 -0.667 -25.805 -7.437 648 HE3 LYS 82 HE3 LYS 82 -1.558 -24.715 -6.371 649 HZ1 LYS 82 HZ1 LYS 82 -0.674 -25.908 -4.466 650 HZ2 LYS 82 HZ2 LYS 82 0.576 -25.313 -5.436 651 HZ3 LYS 82 HZ3 LYS 82 0.185 -26.956 -5.483 652 H ASP 83 H ASP 83 -4.456 -26.354 -4.181 653 HA ASP 83 HA ASP 83 -3.493 -28.776 -3.027 654 HB2 ASP 83 HB2 ASP 83 -4.036 -26.111 -1.641 655 HB3 ASP 83 HB3 ASP 83 -3.068 -27.427 -0.980 656 H LYS 84 H LYS 84 -6.430 -26.880 -2.630 657 HA LYS 84 HA LYS 84 -7.641 -28.443 -0.567 658 HB2 LYS 84 HB2 LYS 84 -8.941 -26.626 -2.639 659 HB3 LYS 84 HB3 LYS 84 -9.731 -27.256 -1.196 660 HG2 LYS 84 HG2 LYS 84 -8.292 -25.955 0.249 661 HG3 LYS 84 HG3 LYS 84 -7.291 -25.454 -1.120 662 HD2 LYS 84 HD2 LYS 84 -9.249 -24.261 -2.099 663 HD3 LYS 84 HD3 LYS 84 -10.217 -24.714 -0.695 664 HE2 LYS 84 HE2 LYS 84 -7.730 -22.981 -0.631 665 HE3 LYS 84 HE3 LYS 84 -9.392 -22.395 -0.571 666 HZ1 LYS 84 HZ1 LYS 84 -9.690 -23.606 1.506 667 HZ2 LYS 84 HZ2 LYS 84 -8.432 -22.484 1.623 668 HZ3 LYS 84 HZ3 LYS 84 -8.086 -24.125 1.449 669 H LYS 85 H LYS 85 -7.569 -28.644 -4.103 670 HA LYS 85 HA LYS 85 -9.640 -30.653 -4.333 671 HB2 LYS 85 HB2 LYS 85 -7.487 -29.950 -6.380 672 HB3 LYS 85 HB3 LYS 85 -8.944 -30.888 -6.684 673 HG2 LYS 85 HG2 LYS 85 -8.774 -27.941 -6.028 674 HG3 LYS 85 HG3 LYS 85 -9.254 -28.664 -7.558 675 HD2 LYS 85 HD2 LYS 85 -11.303 -29.547 -6.538 676 HD3 LYS 85 HD3 LYS 85 -10.804 -28.951 -4.951 677 HE2 LYS 85 HE2 LYS 85 -11.437 -27.227 -7.378 678 HE3 LYS 85 HE3 LYS 85 -12.466 -27.444 -5.962 679 HZ1 LYS 85 HZ1 LYS 85 -10.688 -26.454 -4.602 680 HZ2 LYS 85 HZ2 LYS 85 -11.261 -25.384 -5.777 681 HZ3 LYS 85 HZ3 LYS 85 -9.782 -26.169 -6.002 682 H ALA 86 H ALA 86 -6.706 -30.924 -2.894 683 HA ALA 86 HA ALA 86 -6.065 -33.644 -3.684 684 HB1 ALA 86 HB1 ALA 86 -4.370 -33.524 -1.907 685 HB2 ALA 86 HB2 ALA 86 -5.042 -31.988 -1.344 686 HB3 ALA 86 HB3 ALA 86 -4.302 -32.097 -2.939 687 H LYS 87 H LYS 87 -7.968 -32.040 -1.200 688 HA LYS 87 HA LYS 87 -8.545 -34.618 0.147 689 HB2 LYS 87 HB2 LYS 87 -8.692 -31.792 1.313 690 HB3 LYS 87 HB3 LYS 87 -9.126 -33.268 2.170 691 HG2 LYS 87 HG2 LYS 87 -6.368 -32.552 1.149 692 HG3 LYS 87 HG3 LYS 87 -6.900 -32.476 2.830 693 HD2 LYS 87 HD2 LYS 87 -7.202 -34.909 2.871 694 HD3 LYS 87 HD3 LYS 87 -6.779 -35.022 1.159 695 HE2 LYS 87 HE2 LYS 87 -4.516 -34.106 1.717 696 HE3 LYS 87 HE3 LYS 87 -4.954 -34.162 3.428 697 HZ1 LYS 87 HZ1 LYS 87 -5.201 -36.547 3.278 698 HZ2 LYS 87 HZ2 LYS 87 -3.678 -36.115 2.684 699 HZ3 LYS 87 HZ3 LYS 87 -4.916 -36.519 1.613 700 H GLN 88 H GLN 88 -9.966 -31.559 -0.880 701 HA GLN 88 HA GLN 88 -12.710 -32.549 -0.815 702 HB2 GLN 88 HB2 GLN 88 -11.491 -29.858 -1.599 703 HB3 GLN 88 HB3 GLN 88 -13.210 -30.204 -1.725 704 HG2 GLN 88 HG2 GLN 88 -12.861 -28.966 0.297 705 HG3 GLN 88 HG3 GLN 88 -13.263 -30.619 0.746 706 HE21 GLN 88 HE21 GLN 88 -12.334 -30.440 2.772 707 HE22 GLN 88 HE22 GLN 88 -10.636 -30.321 3.022 708 H GLN 89 H GLN 89 -10.767 -33.853 -2.610 709 HA GLN 89 HA GLN 89 -11.243 -33.102 -5.319 710 HB2 GLN 89 HB2 GLN 89 -9.308 -34.541 -4.492 711 HB3 GLN 89 HB3 GLN 89 -10.436 -35.871 -4.287 712 HG2 GLN 89 HG2 GLN 89 -10.306 -34.590 -7.001 713 HG3 GLN 89 HG3 GLN 89 -8.916 -35.546 -6.503 714 HE21 GLN 89 HE21 GLN 89 -9.324 -37.032 -8.171 715 HE22 GLN 89 HE22 GLN 89 -10.612 -38.179 -8.102 716 H LYS 90 H LYS 90 -13.065 -33.342 -6.418 717 HA LYS 90 HA LYS 90 -14.909 -35.604 -5.902 718 HB2 LYS 90 HB2 LYS 90 -15.747 -32.698 -6.407 719 HB3 LYS 90 HB3 LYS 90 -16.850 -34.068 -6.294 720 HG2 LYS 90 HG2 LYS 90 -16.148 -34.404 -3.927 721 HG3 LYS 90 HG3 LYS 90 -15.117 -32.975 -4.048 722 HD2 LYS 90 HD2 LYS 90 -17.113 -31.580 -4.506 723 HD3 LYS 90 HD3 LYS 90 -18.139 -33.014 -4.393 724 HE2 LYS 90 HE2 LYS 90 -17.368 -33.304 -2.015 725 HE3 LYS 90 HE3 LYS 90 -16.491 -31.778 -2.160 726 HZ1 LYS 90 HZ1 LYS 90 -19.428 -32.108 -2.488 727 HZ2 LYS 90 HZ2 LYS 90 -18.583 -30.645 -2.576 728 HZ3 LYS 90 HZ3 LYS 90 -18.658 -31.494 -1.116 729 H THR 91 H THR 91 -16.538 -35.648 -7.892 730 HA THR 91 HA THR 91 -15.028 -35.525 -10.371 731 HB THR 91 HB THR 91 -17.199 -36.293 -11.436 732 HG1 THR 91 HG1 THR 91 -18.641 -35.407 -9.901 733 HG21 THR 91 HG21 THR 91 -15.539 -37.971 -10.682 734 HG22 THR 91 HG22 THR 91 -17.185 -38.564 -10.474 735 HG23 THR 91 HG23 THR 91 -16.274 -37.988 -9.077 736 H LEU 92 H LEU 92 -14.608 -33.226 -9.949 737 HA LEU 92 HA LEU 92 -16.771 -31.318 -10.515 738 HB2 LEU 92 HB2 LEU 92 -15.223 -31.016 -8.534 739 HB3 LEU 92 HB3 LEU 92 -13.882 -30.874 -9.651 740 HG LEU 92 HG LEU 92 -14.895 -28.778 -10.575 741 HD11 LEU 92 HD11 LEU 92 -17.245 -29.213 -10.076 742 HD12 LEU 92 HD12 LEU 92 -16.727 -27.659 -9.433 743 HD13 LEU 92 HD13 LEU 92 -16.923 -29.037 -8.347 744 HD21 LEU 92 HD21 LEU 92 -13.174 -28.649 -8.825 745 HD22 LEU 92 HD22 LEU 92 -14.415 -28.713 -7.573 746 HD23 LEU 92 HD23 LEU 92 -14.331 -27.329 -8.667 747 H LYS 93 H LYS 93 -16.023 -33.036 -12.584 748 HA LYS 93 HA LYS 93 -14.147 -31.904 -14.421 749 HB2 LYS 93 HB2 LYS 93 -14.844 -34.330 -14.392 750 HB3 LYS 93 HB3 LYS 93 -16.438 -33.869 -14.947 751 HG2 LYS 93 HG2 LYS 93 -13.965 -33.258 -16.594 752 HG3 LYS 93 HG3 LYS 93 -14.735 -34.837 -16.653 753 HD2 LYS 93 HD2 LYS 93 -16.027 -32.192 -17.395 754 HD3 LYS 93 HD3 LYS 93 -15.475 -33.437 -18.516 755 HE2 LYS 93 HE2 LYS 93 -17.156 -35.008 -17.635 756 HE3 LYS 93 HE3 LYS 93 -17.691 -33.803 -16.460 757 HZ1 LYS 93 HZ1 LYS 93 -19.155 -33.847 -18.377 758 HZ2 LYS 93 HZ2 LYS 93 -17.864 -33.543 -19.419 759 HZ3 LYS 93 HZ3 LYS 93 -18.347 -32.363 -18.310 760 H GLN 94 H GLN 94 -14.702 -29.755 -14.543 761 HA GLN 94 HA GLN 94 -17.292 -28.830 -15.445 762 HB2 GLN 94 HB2 GLN 94 -16.259 -26.596 -15.366 763 HB3 GLN 94 HB3 GLN 94 -15.928 -27.472 -13.874 764 HG2 GLN 94 HG2 GLN 94 -13.651 -27.943 -14.594 765 HG3 GLN 94 HG3 GLN 94 -13.980 -27.253 -16.187 766 HE21 GLN 94 HE21 GLN 94 -14.198 -25.008 -16.403 767 HE22 GLN 94 HE22 GLN 94 -13.575 -23.913 -15.219 768 H SER 95 H SER 95 -17.278 -27.242 -17.348 769 HA SER 95 HA SER 95 -16.016 -28.476 -19.698 770 HB2 SER 95 HB2 SER 95 -17.604 -27.011 -20.979 771 HB3 SER 95 HB3 SER 95 -18.433 -28.075 -19.844 772 HG SER 95 HG SER 95 -17.722 -25.514 -18.945 773 H ASP 96 H ASP 96 -15.299 -26.838 -21.422 774 HA ASP 96 HA ASP 96 -13.422 -24.887 -20.431 775 HB2 ASP 96 HB2 ASP 96 -14.464 -25.463 -23.241 776 HB3 ASP 96 HB3 ASP 96 -13.225 -24.263 -22.893 777 H THR 97 H THR 97 -13.554 -22.547 -20.944 778 HA THR 97 HA THR 97 -16.137 -21.449 -20.317 779 HB THR 97 HB THR 97 -14.095 -20.402 -19.390 780 HG1 THR 97 HG1 THR 97 -14.937 -18.270 -20.910 781 HG21 THR 97 HG21 THR 97 -12.522 -20.673 -21.250 782 HG22 THR 97 HG22 THR 97 -12.646 -18.973 -20.792 783 HG23 THR 97 HG23 THR 97 -13.466 -19.560 -22.242 784 H LYS 98 H LYS 98 -17.571 -20.460 -21.652 785 HA LYS 98 HA LYS 98 -17.139 -20.590 -24.562 786 HB2 LYS 98 HB2 LYS 98 -19.234 -21.541 -23.471 787 HB3 LYS 98 HB3 LYS 98 -19.684 -19.902 -23.015 788 HG2 LYS 98 HG2 LYS 98 -20.910 -20.550 -24.997 789 HG3 LYS 98 HG3 LYS 98 -19.766 -19.275 -25.415 790 HD2 LYS 98 HD2 LYS 98 -18.221 -20.959 -26.347 791 HD3 LYS 98 HD3 LYS 98 -19.348 -22.245 -25.910 792 HE2 LYS 98 HE2 LYS 98 -21.021 -21.306 -27.465 793 HE3 LYS 98 HE3 LYS 98 -19.901 -20.010 -27.897 794 HZ1 LYS 98 HZ1 LYS 98 -19.852 -21.781 -29.532 795 HZ2 LYS 98 HZ2 LYS 98 -19.449 -22.917 -28.344 796 HZ3 LYS 98 HZ3 LYS 98 -18.359 -21.688 -28.741 797 H VAL 99 H VAL 99 -18.069 -18.303 -22.004 798 HA VAL 99 HA VAL 99 -17.293 -16.020 -23.727 799 HB VAL 99 HB VAL 99 -19.067 -15.972 -21.228 800 HG11 VAL 99 HG11 VAL 99 -19.540 -13.617 -21.844 801 HG12 VAL 99 HG12 VAL 99 -18.391 -13.732 -23.178 802 HG13 VAL 99 HG13 VAL 99 -17.825 -13.867 -21.512 803 HG21 VAL 99 HG21 VAL 99 -20.201 -17.094 -23.097 804 HG22 VAL 99 HG22 VAL 99 -19.866 -15.720 -24.154 805 HG23 VAL 99 HG23 VAL 99 -20.945 -15.527 -22.770 Start of MODEL 13 1 H2 GLY 1 H2 GLY 1 -25.736 1.377 4.337 2 H GLY 1 H1 GLY 1 -25.973 2.380 2.999 3 H3 GLY 1 H3 GLY 1 -24.935 1.056 2.883 4 HA2 GLY 1 HA2 GLY 1 -24.517 3.437 4.595 5 HA3 GLY 1 HA3 GLY 1 -23.442 2.048 4.507 6 H VAL 2 H VAL 2 -21.728 2.361 3.228 7 HA VAL 2 HA VAL 2 -20.238 3.289 1.820 8 HB VAL 2 HB VAL 2 -22.555 3.363 -0.171 9 HG11 VAL 2 HG11 VAL 2 -20.597 4.617 -0.975 10 HG12 VAL 2 HG12 VAL 2 -20.804 3.138 -1.914 11 HG13 VAL 2 HG13 VAL 2 -19.556 3.226 -0.668 12 HG21 VAL 2 HG21 VAL 2 -22.350 1.118 0.826 13 HG22 VAL 2 HG22 VAL 2 -20.631 1.080 0.425 14 HG23 VAL 2 HG23 VAL 2 -21.836 1.096 -0.865 15 H GLU 3 H GLU 3 -19.993 5.170 3.100 16 HA GLU 3 HA GLU 3 -21.034 7.676 1.915 17 HB2 GLU 3 HB2 GLU 3 -22.362 7.201 3.919 18 HB3 GLU 3 HB3 GLU 3 -20.905 6.956 4.875 19 HG2 GLU 3 HG2 GLU 3 -20.334 9.296 4.762 20 HG3 GLU 3 HG3 GLU 3 -21.597 9.615 3.573 21 H LYS 4 H LYS 4 -19.399 8.905 1.295 22 HA LYS 4 HA LYS 4 -16.666 8.123 1.886 23 HB2 LYS 4 HB2 LYS 4 -17.855 10.109 -0.096 24 HB3 LYS 4 HB3 LYS 4 -16.121 9.896 0.107 25 HG2 LYS 4 HG2 LYS 4 -16.826 8.640 -1.822 26 HG3 LYS 4 HG3 LYS 4 -16.365 7.501 -0.558 27 HD2 LYS 4 HD2 LYS 4 -18.745 7.090 -0.044 28 HD3 LYS 4 HD3 LYS 4 -19.229 8.282 -1.252 29 HE2 LYS 4 HE2 LYS 4 -17.748 5.690 -1.814 30 HE3 LYS 4 HE3 LYS 4 -19.464 5.983 -2.098 31 HZ1 LYS 4 HZ1 LYS 4 -18.832 7.737 -3.665 32 HZ2 LYS 4 HZ2 LYS 4 -18.238 6.228 -4.131 33 HZ3 LYS 4 HZ3 LYS 4 -17.204 7.362 -3.431 34 H THR 5 H THR 5 -16.531 8.780 4.059 35 HA THR 5 HA THR 5 -16.659 11.611 4.739 36 HB THR 5 HB THR 5 -17.429 10.104 6.452 37 HG1 THR 5 HG1 THR 5 -16.179 11.963 7.110 38 HG21 THR 5 HG21 THR 5 -16.180 8.042 5.860 39 HG22 THR 5 HG22 THR 5 -16.044 8.412 7.578 40 HG23 THR 5 HG23 THR 5 -14.697 8.767 6.497 41 H ALA 6 H ALA 6 -15.124 12.550 3.427 42 HA ALA 6 HA ALA 6 -12.273 11.798 3.810 43 HB1 ALA 6 HB1 ALA 6 -11.884 12.478 1.468 44 HB2 ALA 6 HB2 ALA 6 -13.606 12.829 1.274 45 HB3 ALA 6 HB3 ALA 6 -13.068 11.174 1.562 46 H GLY 7 H GLY 7 -10.915 13.412 4.323 47 HA2 GLY 7 HA2 GLY 7 -11.852 16.030 5.042 48 HA3 GLY 7 HA3 GLY 7 -10.194 15.444 5.090 49 H GLU 8 H GLU 8 -12.462 17.306 3.352 50 HA GLU 8 HA GLU 8 -11.410 17.298 0.744 51 HB2 GLU 8 HB2 GLU 8 -13.681 18.122 1.397 52 HB3 GLU 8 HB3 GLU 8 -12.953 19.508 2.186 53 HG2 GLU 8 HG2 GLU 8 -12.636 18.970 -0.781 54 HG3 GLU 8 HG3 GLU 8 -13.997 19.871 -0.128 55 H THR 9 H THR 9 -10.854 19.512 3.476 56 HA THR 9 HA THR 9 -9.135 20.808 4.125 57 HB THR 9 HB THR 9 -7.413 19.235 2.144 58 HG1 THR 9 HG1 THR 9 -8.751 18.211 4.058 59 HG21 THR 9 HG21 THR 9 -5.538 19.761 3.644 60 HG22 THR 9 HG22 THR 9 -6.612 20.696 4.687 61 HG23 THR 9 HG23 THR 9 -6.278 21.248 3.045 62 H SER 10 H SER 10 -10.047 22.737 3.311 63 HA SER 10 HA SER 10 -9.621 23.733 0.654 64 HB2 SER 10 HB2 SER 10 -10.442 25.223 3.192 65 HB3 SER 10 HB3 SER 10 -10.557 25.861 1.549 66 HG SER 10 HG SER 10 -11.822 23.692 1.326 67 H ALA 11 H ALA 11 -7.386 23.544 0.331 68 HA ALA 11 HA ALA 11 -5.216 24.087 0.231 69 HB1 ALA 11 HB1 ALA 11 -6.033 26.736 1.469 70 HB2 ALA 11 HB2 ALA 11 -6.059 26.357 -0.253 71 HB3 ALA 11 HB3 ALA 11 -4.522 26.415 0.614 72 H THR 12 H THR 12 -5.867 25.842 3.253 73 HA THR 12 HA THR 12 -5.349 25.605 5.394 74 HB THR 12 HB THR 12 -4.684 22.681 4.818 75 HG1 THR 12 HG1 THR 12 -6.880 23.630 4.290 76 HG21 THR 12 HG21 THR 12 -5.225 22.296 7.197 77 HG22 THR 12 HG22 THR 12 -5.490 24.025 7.426 78 HG23 THR 12 HG23 THR 12 -3.873 23.425 7.050 79 H ASP 13 H ASP 13 -3.595 25.896 6.756 80 HA ASP 13 HA ASP 13 -1.335 26.990 5.542 81 HB2 ASP 13 HB2 ASP 13 -1.633 26.180 8.464 82 HB3 ASP 13 HB3 ASP 13 -0.476 27.345 7.828 83 H THR 14 H THR 14 0.820 26.379 5.400 84 HA THR 14 HA THR 14 1.420 23.582 5.160 85 HB THR 14 HB THR 14 3.762 24.403 4.631 86 HG1 THR 14 HG1 THR 14 3.686 26.305 5.960 87 HG21 THR 14 HG21 THR 14 1.535 25.834 3.133 88 HG22 THR 14 HG22 THR 14 2.103 24.192 2.817 89 HG23 THR 14 HG23 THR 14 3.173 25.565 2.532 90 H GLY 15 H GLY 15 2.243 22.261 6.695 91 HA2 GLY 15 HA2 GLY 15 3.434 21.708 8.678 92 HA3 GLY 15 HA3 GLY 15 3.262 23.360 9.258 93 H LYS 16 H LYS 16 0.444 23.590 8.609 94 HA LYS 16 HA LYS 16 -0.759 22.314 10.912 95 HB2 LYS 16 HB2 LYS 16 -1.386 24.608 10.232 96 HB3 LYS 16 HB3 LYS 16 -1.920 24.026 8.663 97 HG2 LYS 16 HG2 LYS 16 -3.852 24.478 10.025 98 HG3 LYS 16 HG3 LYS 16 -3.731 22.731 9.792 99 HD2 LYS 16 HD2 LYS 16 -2.794 22.467 12.048 100 HD3 LYS 16 HD3 LYS 16 -2.782 24.220 12.272 101 HE2 LYS 16 HE2 LYS 16 -5.290 24.191 12.019 102 HE3 LYS 16 HE3 LYS 16 -5.213 22.427 11.999 103 HZ1 LYS 16 HZ1 LYS 16 -4.267 22.463 14.204 104 HZ2 LYS 16 HZ2 LYS 16 -5.724 23.316 14.200 105 HZ3 LYS 16 HZ3 LYS 16 -4.255 24.152 14.220 106 H ARG 17 H ARG 17 -1.414 22.278 7.413 107 HA ARG 17 HA ARG 17 -3.056 20.001 7.274 108 HB2 ARG 17 HB2 ARG 17 -2.899 21.719 5.491 109 HB3 ARG 17 HB3 ARG 17 -1.228 21.259 5.183 110 HG2 ARG 17 HG2 ARG 17 -2.020 19.003 4.475 111 HG3 ARG 17 HG3 ARG 17 -3.684 19.544 4.707 112 HD2 ARG 17 HD2 ARG 17 -3.280 21.335 3.009 113 HD3 ARG 17 HD3 ARG 17 -1.670 20.665 2.734 114 HE ARG 17 HE ARG 17 -4.008 18.936 2.343 115 HH11 ARG 17 HH11 ARG 17 -1.330 20.712 0.904 116 HH12 ARG 17 HH12 ARG 17 -1.494 19.931 -0.636 117 HH21 ARG 17 HH21 ARG 17 -4.259 18.016 0.288 118 HH22 ARG 17 HH22 ARG 17 -3.154 18.398 -0.991 119 H GLU 18 H GLU 18 0.419 20.498 7.079 120 HA GLU 18 HA GLU 18 1.133 17.888 6.215 121 HB2 GLU 18 HB2 GLU 18 2.795 20.070 7.514 122 HB3 GLU 18 HB3 GLU 18 3.451 18.587 6.824 123 HG2 GLU 18 HG2 GLU 18 2.551 19.236 4.601 124 HG3 GLU 18 HG3 GLU 18 1.950 20.740 5.304 125 H LYS 19 H LYS 19 0.704 19.339 9.411 126 HA LYS 19 HA LYS 19 1.859 17.344 11.025 127 HB2 LYS 19 HB2 LYS 19 1.083 19.590 11.806 128 HB3 LYS 19 HB3 LYS 19 -0.587 19.108 11.574 129 HG2 LYS 19 HG2 LYS 19 1.193 17.578 13.479 130 HG3 LYS 19 HG3 LYS 19 0.471 19.106 13.970 131 HD2 LYS 19 HD2 LYS 19 -1.779 18.198 13.593 132 HD3 LYS 19 HD3 LYS 19 -1.093 16.684 13.000 133 HE2 LYS 19 HE2 LYS 19 -1.826 16.367 15.278 134 HE3 LYS 19 HE3 LYS 19 -0.064 16.327 15.250 135 HZ1 LYS 19 HZ1 LYS 19 -0.060 18.629 16.032 136 HZ2 LYS 19 HZ2 LYS 19 -0.876 17.615 17.103 137 HZ3 LYS 19 HZ3 LYS 19 -1.750 18.629 16.078 138 H GLN 20 H GLN 20 -1.375 17.674 9.633 139 HA GLN 20 HA GLN 20 -2.502 15.248 10.626 140 HB2 GLN 20 HB2 GLN 20 -3.309 16.788 8.117 141 HB3 GLN 20 HB3 GLN 20 -4.324 15.709 9.068 142 HG2 GLN 20 HG2 GLN 20 -3.205 18.333 10.092 143 HG3 GLN 20 HG3 GLN 20 -4.798 18.156 9.361 144 HE21 GLN 20 HE21 GLN 20 -5.813 18.893 11.234 145 HE22 GLN 20 HE22 GLN 20 -5.953 17.924 12.659 146 H LEU 21 H LEU 21 -0.786 16.181 7.714 147 HA LEU 21 HA LEU 21 -1.362 13.926 6.098 148 HB2 LEU 21 HB2 LEU 21 -0.541 16.396 5.551 149 HB3 LEU 21 HB3 LEU 21 1.062 15.721 5.724 150 HG LEU 21 HG LEU 21 0.284 15.929 3.358 151 HD11 LEU 21 HD11 LEU 21 0.993 13.752 2.557 152 HD12 LEU 21 HD12 LEU 21 0.795 13.070 4.175 153 HD13 LEU 21 HD13 LEU 21 2.017 14.307 3.881 154 HD21 LEU 21 HD21 LEU 21 -2.100 15.469 3.702 155 HD22 LEU 21 HD22 LEU 21 -1.733 13.780 4.068 156 HD23 LEU 21 HD23 LEU 21 -1.412 14.426 2.457 157 H GLN 22 H GLN 22 1.249 14.715 8.348 158 HA GLN 22 HA GLN 22 3.065 12.622 7.777 159 HB2 GLN 22 HB2 GLN 22 2.556 14.299 10.264 160 HB3 GLN 22 HB3 GLN 22 3.808 13.060 10.235 161 HG2 GLN 22 HG2 GLN 22 5.051 14.211 8.541 162 HG3 GLN 22 HG3 GLN 22 3.725 15.335 8.233 163 HE21 GLN 22 HE21 GLN 22 6.545 15.824 9.050 164 HE22 GLN 22 HE22 GLN 22 6.429 16.801 10.469 165 H GLN 23 H GLN 23 0.244 12.790 9.910 166 HA GLN 23 HA GLN 23 0.559 10.323 11.276 167 HB2 GLN 23 HB2 GLN 23 -2.056 11.740 10.585 168 HB3 GLN 23 HB3 GLN 23 -1.818 10.558 11.872 169 HG2 GLN 23 HG2 GLN 23 -0.443 12.093 13.130 170 HG3 GLN 23 HG3 GLN 23 -0.405 13.238 11.786 171 HE21 GLN 23 HE21 GLN 23 -1.301 14.931 12.910 172 HE22 GLN 23 HE22 GLN 23 -2.936 14.951 13.467 173 H TRP 24 H TRP 24 -1.176 11.248 8.337 174 HA TRP 24 HA TRP 24 -2.297 8.746 7.669 175 HB2 TRP 24 HB2 TRP 24 -3.033 10.992 6.763 176 HB3 TRP 24 HB3 TRP 24 -1.576 11.041 5.782 177 HD1 TRP 24 HD1 TRP 24 -2.856 7.569 5.641 178 HE1 TRP 24 HE1 TRP 24 -4.182 7.182 3.485 179 HE3 TRP 24 HE3 TRP 24 -3.541 12.425 4.217 180 HZ2 TRP 24 HZ2 TRP 24 -5.407 8.699 1.477 181 HZ3 TRP 24 HZ3 TRP 24 -4.832 12.868 2.174 182 HH2 TRP 24 HH2 TRP 24 -5.742 11.047 0.832 183 H LYS 25 H LYS 25 0.772 10.335 6.746 184 HA LYS 25 HA LYS 25 1.832 8.511 4.936 185 HB2 LYS 25 HB2 LYS 25 3.168 10.260 7.029 186 HB3 LYS 25 HB3 LYS 25 4.129 9.232 5.976 187 HG2 LYS 25 HG2 LYS 25 3.452 10.452 4.020 188 HG3 LYS 25 HG3 LYS 25 2.225 11.349 4.924 189 HD2 LYS 25 HD2 LYS 25 3.941 12.501 6.219 190 HD3 LYS 25 HD3 LYS 25 5.215 11.520 5.494 191 HE2 LYS 25 HE2 LYS 25 3.452 13.288 3.794 192 HE3 LYS 25 HE3 LYS 25 4.849 13.934 4.619 193 HZ1 LYS 25 HZ1 LYS 25 4.884 11.728 2.654 194 HZ2 LYS 25 HZ2 LYS 25 6.241 12.352 3.441 195 HZ3 LYS 25 HZ3 LYS 25 5.370 13.318 2.364 196 H ASN 26 H ASN 26 2.148 8.532 8.482 197 HA ASN 26 HA ASN 26 3.719 6.244 8.847 198 HB2 ASN 26 HB2 ASN 26 1.608 7.485 10.682 199 HB3 ASN 26 HB3 ASN 26 2.745 6.240 11.198 200 HD21 ASN 26 HD21 ASN 26 2.292 9.166 11.899 201 HD22 ASN 26 HD22 ASN 26 3.876 9.846 11.831 202 H ASN 27 H ASN 27 0.177 6.597 8.777 203 HA ASN 27 HA ASN 27 -0.502 3.932 9.447 204 HB2 ASN 27 HB2 ASN 27 -2.067 6.096 7.983 205 HB3 ASN 27 HB3 ASN 27 -2.749 4.517 8.357 206 HD21 ASN 27 HD21 ASN 27 -0.587 6.308 10.557 207 HD22 ASN 27 HD22 ASN 27 -1.799 6.606 11.741 208 H LEU 28 H LEU 28 -0.105 5.570 6.312 209 HA LEU 28 HA LEU 28 -0.754 3.376 4.658 210 HB2 LEU 28 HB2 LEU 28 0.973 5.824 4.121 211 HB3 LEU 28 HB3 LEU 28 0.557 4.648 2.884 212 HG LEU 28 HG LEU 28 -1.376 6.468 4.357 213 HD11 LEU 28 HD11 LEU 28 -1.749 7.521 2.184 214 HD12 LEU 28 HD12 LEU 28 -0.566 6.447 1.433 215 HD13 LEU 28 HD13 LEU 28 -0.049 7.622 2.644 216 HD21 LEU 28 HD21 LEU 28 -1.994 4.367 2.259 217 HD22 LEU 28 HD22 LEU 28 -3.132 5.550 2.913 218 HD23 LEU 28 HD23 LEU 28 -2.448 4.318 3.967 219 H LYS 29 H LYS 29 2.319 4.453 6.069 220 HA LYS 29 HA LYS 29 4.030 2.680 4.672 221 HB2 LYS 29 HB2 LYS 29 4.337 4.700 6.729 222 HB3 LYS 29 HB3 LYS 29 5.157 3.254 7.289 223 HG2 LYS 29 HG2 LYS 29 6.804 4.513 6.158 224 HG3 LYS 29 HG3 LYS 29 6.369 3.208 5.053 225 HD2 LYS 29 HD2 LYS 29 6.554 5.225 3.769 226 HD3 LYS 29 HD3 LYS 29 4.838 4.826 3.860 227 HE2 LYS 29 HE2 LYS 29 5.282 7.241 4.177 228 HE3 LYS 29 HE3 LYS 29 4.536 6.521 5.602 229 HZ1 LYS 29 HZ1 LYS 29 6.365 8.003 6.166 230 HZ2 LYS 29 HZ2 LYS 29 7.429 7.067 5.260 231 HZ3 LYS 29 HZ3 LYS 29 6.713 6.420 6.640 232 H ASN 30 H ASN 30 2.220 2.426 7.686 233 HA ASN 30 HA ASN 30 3.154 -0.100 8.566 234 HB2 ASN 30 HB2 ASN 30 0.461 1.257 9.053 235 HB3 ASN 30 HB3 ASN 30 1.033 -0.165 9.925 236 HD21 ASN 30 HD21 ASN 30 0.294 2.473 10.933 237 HD22 ASN 30 HD22 ASN 30 1.678 3.068 11.781 238 H ASP 31 H ASP 31 0.368 0.899 6.597 239 HA ASP 31 HA ASP 31 -0.835 -1.624 6.287 240 HB2 ASP 31 HB2 ASP 31 -1.067 0.970 4.738 241 HB3 ASP 31 HB3 ASP 31 -1.887 -0.478 4.164 242 H VAL 32 H VAL 32 1.352 0.152 4.084 243 HA VAL 32 HA VAL 32 1.492 -1.790 2.055 244 HB VAL 32 HB VAL 32 3.660 0.240 2.791 245 HG11 VAL 32 HG11 VAL 32 4.507 -1.545 1.303 246 HG12 VAL 32 HG12 VAL 32 4.426 0.002 0.458 247 HG13 VAL 32 HG13 VAL 32 3.194 -1.228 0.166 248 HG21 VAL 32 HG21 VAL 32 1.417 0.522 0.755 249 HG22 VAL 32 HG22 VAL 32 2.677 1.711 1.094 250 HG23 VAL 32 HG23 VAL 32 1.475 1.324 2.323 251 H ASP 33 H ASP 33 3.249 -1.453 5.095 252 HA ASP 33 HA ASP 33 5.157 -3.546 4.602 253 HB2 ASP 33 HB2 ASP 33 5.581 -1.695 6.223 254 HB3 ASP 33 HB3 ASP 33 4.302 -2.319 7.260 255 H ASN 34 H ASN 34 1.914 -3.399 5.937 256 HA ASN 34 HA ASN 34 1.905 -6.108 7.014 257 HB2 ASN 34 HB2 ASN 34 -0.336 -4.062 6.665 258 HB3 ASN 34 HB3 ASN 34 -0.545 -5.633 7.437 259 HD21 ASN 34 HD21 ASN 34 -0.761 -2.817 8.423 260 HD22 ASN 34 HD22 ASN 34 0.234 -2.761 9.832 261 H THR 35 H THR 35 1.094 -4.555 3.996 262 HA THR 35 HA THR 35 -0.661 -6.607 3.000 263 HB THR 35 HB THR 35 -0.345 -5.417 0.778 264 HG1 THR 35 HG1 THR 35 1.754 -4.403 1.961 265 HG21 THR 35 HG21 THR 35 -1.561 -3.350 1.392 266 HG22 THR 35 HG22 THR 35 -1.193 -3.642 3.092 267 HG23 THR 35 HG23 THR 35 -2.227 -4.765 2.208 268 H ILE 36 H ILE 36 -0.152 -8.106 1.385 269 HA ILE 36 HA ILE 36 2.488 -9.266 1.549 270 HB ILE 36 HB ILE 36 1.527 -11.172 0.326 271 HG12 ILE 36 HG12 ILE 36 -1.058 -9.555 0.057 272 HG13 ILE 36 HG13 ILE 36 0.080 -9.822 -1.257 273 HG21 ILE 36 HG21 ILE 36 -0.412 -10.163 2.438 274 HG22 ILE 36 HG22 ILE 36 1.095 -11.030 2.760 275 HG23 ILE 36 HG23 ILE 36 -0.232 -11.841 1.922 276 HD11 ILE 36 HD11 ILE 36 -1.466 -11.980 0.177 277 HD12 ILE 36 HD12 ILE 36 -0.347 -12.215 -1.169 278 HD13 ILE 36 HD13 ILE 36 -1.835 -11.303 -1.408 279 H LEU 37 H LEU 37 2.204 -6.668 0.027 280 HA LEU 37 HA LEU 37 2.301 -6.984 -2.747 281 HB2 LEU 37 HB2 LEU 37 3.871 -4.942 -1.134 282 HB3 LEU 37 HB3 LEU 37 3.470 -4.833 -2.841 283 HG LEU 37 HG LEU 37 1.566 -4.610 -0.493 284 HD11 LEU 37 HD11 LEU 37 2.367 -2.587 -2.595 285 HD12 LEU 37 HD12 LEU 37 2.905 -2.618 -0.913 286 HD13 LEU 37 HD13 LEU 37 1.207 -2.334 -1.285 287 HD21 LEU 37 HD21 LEU 37 0.858 -4.586 -3.438 288 HD22 LEU 37 HD22 LEU 37 -0.233 -4.205 -2.100 289 HD23 LEU 37 HD23 LEU 37 0.423 -5.830 -2.259 290 H SER 38 H SER 38 3.991 -7.209 -4.220 291 HA SER 38 HA SER 38 6.135 -8.925 -3.551 292 HB2 SER 38 HB2 SER 38 5.799 -7.157 -6.016 293 HB3 SER 38 HB3 SER 38 6.850 -8.572 -5.885 294 HG SER 38 HG SER 38 4.381 -9.281 -5.151 295 H HIS 39 H HIS 39 8.426 -8.448 -3.507 296 HA HIS 39 HA HIS 39 8.921 -6.809 -1.378 297 HB2 HIS 39 HB2 HIS 39 10.292 -8.736 -2.083 298 HB3 HIS 39 HB3 HIS 39 10.915 -7.815 -3.443 299 HD1 HIS 39 HD1 HIS 39 11.626 -8.671 0.017 300 HD2 HIS 39 HD2 HIS 39 12.656 -5.579 -2.564 301 HE1 HIS 39 HE1 HIS 39 13.684 -7.624 1.000 302 HE2 HIS 39 HE2 HIS 39 14.386 -5.890 -0.684 303 H GLU 40 H GLU 40 9.549 -5.968 -4.797 304 HA GLU 40 HA GLU 40 10.963 -3.524 -4.234 305 HB2 GLU 40 HB2 GLU 40 9.655 -4.440 -6.824 306 HB3 GLU 40 HB3 GLU 40 10.828 -3.139 -6.673 307 HG2 GLU 40 HG2 GLU 40 12.584 -4.689 -6.112 308 HG3 GLU 40 HG3 GLU 40 11.434 -6.023 -5.976 309 H GLN 41 H GLN 41 7.630 -4.289 -5.306 310 HA GLN 41 HA GLN 41 6.635 -1.638 -5.528 311 HB2 GLN 41 HB2 GLN 41 5.121 -4.199 -4.821 312 HB3 GLN 41 HB3 GLN 41 4.366 -2.672 -5.275 313 HG2 GLN 41 HG2 GLN 41 5.388 -2.823 -7.506 314 HG3 GLN 41 HG3 GLN 41 6.146 -4.352 -7.055 315 HE21 GLN 41 HE21 GLN 41 3.099 -2.765 -7.768 316 HE22 GLN 41 HE22 GLN 41 2.191 -4.212 -8.027 317 H LYS 42 H LYS 42 6.886 -3.880 -2.869 318 HA LYS 42 HA LYS 42 5.265 -2.567 -0.969 319 HB2 LYS 42 HB2 LYS 42 5.908 -4.972 -0.938 320 HB3 LYS 42 HB3 LYS 42 7.570 -4.520 -0.571 321 HG2 LYS 42 HG2 LYS 42 6.975 -3.733 1.604 322 HG3 LYS 42 HG3 LYS 42 5.247 -3.797 1.233 323 HD2 LYS 42 HD2 LYS 42 5.319 -6.244 1.112 324 HD3 LYS 42 HD3 LYS 42 7.071 -6.233 1.347 325 HE2 LYS 42 HE2 LYS 42 5.026 -5.254 3.361 326 HE3 LYS 42 HE3 LYS 42 5.842 -6.815 3.413 327 HZ1 LYS 42 HZ1 LYS 42 7.204 -4.177 3.547 328 HZ2 LYS 42 HZ2 LYS 42 7.951 -5.687 3.668 329 HZ3 LYS 42 HZ3 LYS 42 6.884 -5.177 4.874 330 H ASN 43 H ASN 43 8.706 -2.421 -1.731 331 HA ASN 43 HA ASN 43 9.371 -0.415 0.222 332 HB2 ASN 43 HB2 ASN 43 10.820 -1.397 -2.275 333 HB3 ASN 43 HB3 ASN 43 11.512 -0.252 -1.136 334 HD21 ASN 43 HD21 ASN 43 12.495 -2.875 -1.859 335 HD22 ASN 43 HD22 ASN 43 12.563 -3.791 -0.394 336 H GLU 44 H GLU 44 8.261 -0.417 -3.117 337 HA GLU 44 HA GLU 44 9.171 2.144 -3.913 338 HB2 GLU 44 HB2 GLU 44 8.619 0.339 -5.522 339 HB3 GLU 44 HB3 GLU 44 6.923 0.433 -5.060 340 HG2 GLU 44 HG2 GLU 44 6.883 2.793 -5.899 341 HG3 GLU 44 HG3 GLU 44 8.534 2.578 -6.475 342 H PHE 45 H PHE 45 5.902 1.000 -2.996 343 HA PHE 45 HA PHE 45 4.553 3.426 -3.233 344 HB2 PHE 45 HB2 PHE 45 3.966 0.942 -1.589 345 HB3 PHE 45 HB3 PHE 45 2.915 2.351 -1.487 346 HD1 PHE 45 HD1 PHE 45 1.994 3.286 -3.747 347 HD2 PHE 45 HD2 PHE 45 3.544 -0.679 -3.289 348 HE1 PHE 45 HE1 PHE 45 0.758 2.565 -5.743 349 HE2 PHE 45 HE2 PHE 45 2.305 -1.390 -5.291 350 HZ PHE 45 HZ PHE 45 0.912 0.230 -6.519 351 H LYS 46 H LYS 46 6.136 1.994 -0.361 352 HA LYS 46 HA LYS 46 5.475 3.962 1.516 353 HB2 LYS 46 HB2 LYS 46 7.984 2.240 1.387 354 HB3 LYS 46 HB3 LYS 46 7.523 3.224 2.775 355 HG2 LYS 46 HG2 LYS 46 5.395 1.895 2.930 356 HG3 LYS 46 HG3 LYS 46 6.015 0.841 1.661 357 HD2 LYS 46 HD2 LYS 46 7.294 1.276 4.393 358 HD3 LYS 46 HD3 LYS 46 6.334 -0.124 3.920 359 HE2 LYS 46 HE2 LYS 46 8.547 -0.879 3.725 360 HE3 LYS 46 HE3 LYS 46 8.124 -0.475 2.066 361 HZ1 LYS 46 HZ1 LYS 46 10.312 0.330 2.599 362 HZ2 LYS 46 HZ2 LYS 46 9.742 1.191 3.931 363 HZ3 LYS 46 HZ3 LYS 46 9.302 1.658 2.367 364 H THR 47 H THR 47 8.276 3.776 -0.682 365 HA THR 47 HA THR 47 9.646 6.083 0.117 366 HB THR 47 HB THR 47 9.510 4.855 -2.676 367 HG1 THR 47 HG1 THR 47 10.726 3.330 -1.898 368 HG21 THR 47 HG21 THR 47 11.752 5.827 -3.012 369 HG22 THR 47 HG22 THR 47 11.677 6.588 -1.423 370 HG23 THR 47 HG23 THR 47 10.566 7.102 -2.692 371 H LYS 48 H LYS 48 7.139 5.617 -2.362 372 HA LYS 48 HA LYS 48 7.066 8.267 -3.346 373 HB2 LYS 48 HB2 LYS 48 5.045 5.997 -3.485 374 HB3 LYS 48 HB3 LYS 48 4.796 7.544 -4.295 375 HG2 LYS 48 HG2 LYS 48 6.826 7.212 -5.628 376 HG3 LYS 48 HG3 LYS 48 7.149 5.686 -4.798 377 HD2 LYS 48 HD2 LYS 48 5.149 4.676 -5.762 378 HD3 LYS 48 HD3 LYS 48 4.645 6.223 -6.450 379 HE2 LYS 48 HE2 LYS 48 6.588 6.214 -7.948 380 HE3 LYS 48 HE3 LYS 48 7.161 4.711 -7.221 381 HZ1 LYS 48 HZ1 LYS 48 4.569 5.001 -8.643 382 HZ2 LYS 48 HZ2 LYS 48 5.251 3.566 -8.065 383 HZ3 LYS 48 HZ3 LYS 48 5.980 4.397 -9.345 384 H ILE 49 H ILE 49 5.338 6.693 -0.686 385 HA ILE 49 HA ILE 49 3.462 8.766 -0.141 386 HB ILE 49 HB ILE 49 4.633 6.659 1.739 387 HG12 ILE 49 HG12 ILE 49 1.875 6.571 0.447 388 HG13 ILE 49 HG13 ILE 49 3.284 5.932 -0.383 389 HG21 ILE 49 HG21 ILE 49 2.687 7.070 3.203 390 HG22 ILE 49 HG22 ILE 49 2.149 8.367 2.136 391 HG23 ILE 49 HG23 ILE 49 3.663 8.538 3.029 392 HD11 ILE 49 HD11 ILE 49 3.642 4.314 1.366 393 HD12 ILE 49 HD12 ILE 49 1.991 4.202 0.763 394 HD13 ILE 49 HD13 ILE 49 2.311 4.986 2.308 395 H ASP 50 H ASP 50 6.777 8.108 1.000 396 HA ASP 50 HA ASP 50 6.966 10.403 2.720 397 HB2 ASP 50 HB2 ASP 50 9.080 8.573 1.525 398 HB3 ASP 50 HB3 ASP 50 9.501 9.945 2.547 399 H GLU 51 H GLU 51 7.475 9.894 -0.704 400 HA GLU 51 HA GLU 51 8.836 12.387 -1.214 401 HB2 GLU 51 HB2 GLU 51 7.320 10.488 -3.076 402 HB3 GLU 51 HB3 GLU 51 8.209 11.902 -3.629 403 HG2 GLU 51 HG2 GLU 51 9.452 9.561 -2.168 404 HG3 GLU 51 HG3 GLU 51 9.442 9.762 -3.917 405 H THR 52 H THR 52 5.531 11.395 -0.849 406 HA THR 52 HA THR 52 4.444 13.802 -2.152 407 HB THR 52 HB THR 52 3.074 11.226 -1.249 408 HG1 THR 52 HG1 THR 52 4.602 11.281 -3.140 409 HG21 THR 52 HG21 THR 52 1.480 13.115 -1.230 410 HG22 THR 52 HG22 THR 52 1.137 12.017 -2.570 411 HG23 THR 52 HG23 THR 52 1.964 13.544 -2.875 412 H ASN 53 H ASN 53 3.942 15.454 -0.893 413 HA ASN 53 HA ASN 53 2.948 15.040 1.883 414 HB2 ASN 53 HB2 ASN 53 4.307 17.476 0.621 415 HB3 ASN 53 HB3 ASN 53 3.593 17.466 2.231 416 HD21 ASN 53 HD21 ASN 53 6.229 16.279 0.272 417 HD22 ASN 53 HD22 ASN 53 7.205 15.718 1.582 418 H ASP 54 H ASP 54 1.677 15.149 -0.989 419 HA ASP 54 HA ASP 54 -0.538 17.018 -0.406 420 HB2 ASP 54 HB2 ASP 54 0.384 17.227 -2.655 421 HB3 ASP 54 HB3 ASP 54 0.223 15.497 -2.936 422 H SER 55 H SER 55 -2.614 16.321 -0.189 423 HA SER 55 HA SER 55 -3.078 13.719 0.909 424 HB2 SER 55 HB2 SER 55 -5.439 14.614 1.144 425 HB3 SER 55 HB3 SER 55 -4.193 15.656 1.844 426 HG SER 55 HG SER 55 -5.831 16.077 -0.353 427 H ASP 56 H ASP 56 -4.065 15.382 -2.086 428 HA ASP 56 HA ASP 56 -5.928 13.464 -3.012 429 HB2 ASP 56 HB2 ASP 56 -4.295 15.536 -4.537 430 HB3 ASP 56 HB3 ASP 56 -5.601 14.597 -5.257 431 H ALA 57 H ALA 57 -2.483 13.900 -3.682 432 HA ALA 57 HA ALA 57 -2.221 11.761 -5.545 433 HB1 ALA 57 HB1 ALA 57 -0.120 13.162 -3.866 434 HB2 ALA 57 HB2 ALA 57 -0.635 13.619 -5.488 435 HB3 ALA 57 HB3 ALA 57 0.206 12.091 -5.231 436 H LEU 58 H LEU 58 -1.983 11.953 -1.993 437 HA LEU 58 HA LEU 58 -1.048 9.279 -1.604 438 HB2 LEU 58 HB2 LEU 58 -2.414 11.232 0.268 439 HB3 LEU 58 HB3 LEU 58 -2.049 9.590 0.772 440 HG LEU 58 HG LEU 58 -0.065 11.779 0.068 441 HD11 LEU 58 HD11 LEU 58 0.705 11.436 2.376 442 HD12 LEU 58 HD12 LEU 58 -0.535 10.202 2.619 443 HD13 LEU 58 HD13 LEU 58 -1.000 11.881 2.327 444 HD21 LEU 58 HD21 LEU 58 1.735 10.154 0.488 445 HD22 LEU 58 HD22 LEU 58 0.770 9.702 -0.915 446 HD23 LEU 58 HD23 LEU 58 0.543 8.858 0.620 447 H LEU 59 H LEU 59 -4.294 10.680 -1.969 448 HA LEU 59 HA LEU 59 -5.874 8.472 -1.249 449 HB2 LEU 59 HB2 LEU 59 -6.306 10.594 -3.385 450 HB3 LEU 59 HB3 LEU 59 -7.520 9.379 -3.027 451 HG LEU 59 HG LEU 59 -6.489 11.413 -1.009 452 HD11 LEU 59 HD11 LEU 59 -8.632 12.561 -1.301 453 HD12 LEU 59 HD12 LEU 59 -9.088 11.428 -2.578 454 HD13 LEU 59 HD13 LEU 59 -7.722 12.524 -2.811 455 HD21 LEU 59 HD21 LEU 59 -8.818 9.465 -0.839 456 HD22 LEU 59 HD22 LEU 59 -8.403 10.696 0.358 457 HD23 LEU 59 HD23 LEU 59 -7.298 9.359 0.055 458 H GLU 60 H GLU 60 -4.216 9.242 -4.285 459 HA GLU 60 HA GLU 60 -5.145 6.978 -5.751 460 HB2 GLU 60 HB2 GLU 60 -4.342 9.022 -6.890 461 HB3 GLU 60 HB3 GLU 60 -2.723 8.754 -6.243 462 HG2 GLU 60 HG2 GLU 60 -2.529 6.663 -7.507 463 HG3 GLU 60 HG3 GLU 60 -4.169 6.853 -8.121 464 H LEU 61 H LEU 61 -2.013 7.722 -4.135 465 HA LEU 61 HA LEU 61 -0.671 5.324 -4.665 466 HB2 LEU 61 HB2 LEU 61 -0.414 7.229 -2.305 467 HB3 LEU 61 HB3 LEU 61 0.692 5.889 -2.568 468 HG LEU 61 HG LEU 61 0.293 8.214 -4.495 469 HD11 LEU 61 HD11 LEU 61 1.376 8.950 -2.425 470 HD12 LEU 61 HD12 LEU 61 2.494 8.995 -3.784 471 HD13 LEU 61 HD13 LEU 61 2.601 7.689 -2.598 472 HD21 LEU 61 HD21 LEU 61 0.951 6.169 -5.660 473 HD22 LEU 61 HD22 LEU 61 2.318 5.955 -4.561 474 HD23 LEU 61 HD23 LEU 61 2.269 7.339 -5.657 475 H GLU 62 H GLU 62 -2.925 6.141 -2.105 476 HA GLU 62 HA GLU 62 -2.670 3.827 -0.490 477 HB2 GLU 62 HB2 GLU 62 -3.652 5.934 0.342 478 HB3 GLU 62 HB3 GLU 62 -4.976 5.797 -0.812 479 HG2 GLU 62 HG2 GLU 62 -5.696 3.698 0.335 480 HG3 GLU 62 HG3 GLU 62 -4.426 3.949 1.530 481 H ASN 63 H ASN 63 -5.041 4.811 -2.948 482 HA ASN 63 HA ASN 63 -6.709 2.555 -2.910 483 HB2 ASN 63 HB2 ASN 63 -7.346 4.718 -3.934 484 HB3 ASN 63 HB3 ASN 63 -6.127 4.506 -5.185 485 HD21 ASN 63 HD21 ASN 63 -7.578 4.570 -6.877 486 HD22 ASN 63 HD22 ASN 63 -8.742 3.334 -7.183 487 H GLN 64 H GLN 64 -3.717 3.214 -4.638 488 HA GLN 64 HA GLN 64 -3.899 1.141 -6.567 489 HB2 GLN 64 HB2 GLN 64 -1.532 2.767 -5.573 490 HB3 GLN 64 HB3 GLN 64 -1.399 1.568 -6.857 491 HG2 GLN 64 HG2 GLN 64 -3.026 2.844 -8.214 492 HG3 GLN 64 HG3 GLN 64 -3.126 4.059 -6.939 493 HE21 GLN 64 HE21 GLN 64 -1.283 5.389 -6.541 494 HE22 GLN 64 HE22 GLN 64 -0.060 5.605 -7.739 495 H PHE 65 H PHE 65 -2.051 1.338 -3.452 496 HA PHE 65 HA PHE 65 -0.946 -1.295 -3.857 497 HB2 PHE 65 HB2 PHE 65 0.285 -1.019 -1.874 498 HB3 PHE 65 HB3 PHE 65 0.169 0.605 -2.509 499 HD1 PHE 65 HD1 PHE 65 -0.894 2.351 -1.204 500 HD2 PHE 65 HD2 PHE 65 -1.053 -1.699 0.153 501 HE1 PHE 65 HE1 PHE 65 -1.697 3.104 0.991 502 HE2 PHE 65 HE2 PHE 65 -1.866 -0.934 2.331 503 HZ PHE 65 HZ PHE 65 -2.187 1.471 2.754 504 H ASN 66 H ASN 66 -3.710 -0.001 -2.090 505 HA ASN 66 HA ASN 66 -4.477 -2.300 -0.640 506 HB2 ASN 66 HB2 ASN 66 -6.144 -0.015 -1.781 507 HB3 ASN 66 HB3 ASN 66 -6.831 -1.276 -0.762 508 HD21 ASN 66 HD21 ASN 66 -6.587 1.630 -0.364 509 HD22 ASN 66 HD22 ASN 66 -5.790 1.821 1.155 510 H GLU 67 H GLU 67 -5.316 -1.170 -3.903 511 HA GLU 67 HA GLU 67 -7.089 -3.298 -4.535 512 HB2 GLU 67 HB2 GLU 67 -7.058 -1.027 -5.650 513 HB3 GLU 67 HB3 GLU 67 -5.582 -1.499 -6.486 514 HG2 GLU 67 HG2 GLU 67 -7.569 -1.740 -7.925 515 HG3 GLU 67 HG3 GLU 67 -6.780 -3.295 -7.647 516 H THR 68 H THR 68 -3.630 -2.734 -5.163 517 HA THR 68 HA THR 68 -3.084 -4.949 -6.806 518 HB THR 68 HB THR 68 -1.243 -3.502 -4.844 519 HG1 THR 68 HG1 THR 68 -2.320 -2.415 -6.789 520 HG21 THR 68 HG21 THR 68 -0.257 -5.688 -5.458 521 HG22 THR 68 HG22 THR 68 0.635 -4.375 -6.222 522 HG23 THR 68 HG23 THR 68 -0.504 -5.326 -7.174 523 H ASN 69 H ASN 69 -2.854 -4.537 -3.283 524 HA ASN 69 HA ASN 69 -1.962 -7.108 -2.566 525 HB2 ASN 69 HB2 ASN 69 -1.788 -5.290 -0.984 526 HB3 ASN 69 HB3 ASN 69 -3.521 -4.989 -1.034 527 HD21 ASN 69 HD21 ASN 69 -1.090 -7.352 -0.041 528 HD22 ASN 69 HD22 ASN 69 -2.021 -8.024 1.256 529 H ARG 70 H ARG 70 -5.209 -5.754 -2.813 530 HA ARG 70 HA ARG 70 -6.821 -7.860 -1.967 531 HB2 ARG 70 HB2 ARG 70 -7.563 -5.545 -2.418 532 HB3 ARG 70 HB3 ARG 70 -7.264 -5.763 -4.135 533 HG2 ARG 70 HG2 ARG 70 -9.111 -7.399 -4.254 534 HG3 ARG 70 HG3 ARG 70 -9.398 -7.201 -2.519 535 HD2 ARG 70 HD2 ARG 70 -9.920 -4.824 -2.848 536 HD3 ARG 70 HD3 ARG 70 -9.557 -4.958 -4.570 537 HE ARG 70 HE ARG 70 -11.714 -6.607 -3.467 538 HH11 ARG 70 HH11 ARG 70 -10.782 -3.831 -5.424 539 HH12 ARG 70 HH12 ARG 70 -12.357 -3.655 -6.133 540 HH21 ARG 70 HH21 ARG 70 -13.793 -6.313 -4.361 541 HH22 ARG 70 HH22 ARG 70 -14.055 -5.063 -5.527 542 H LEU 71 H LEU 71 -5.613 -7.100 -5.240 543 HA LEU 71 HA LEU 71 -6.719 -9.353 -6.569 544 HB2 LEU 71 HB2 LEU 71 -4.422 -7.516 -7.344 545 HB3 LEU 71 HB3 LEU 71 -5.121 -8.713 -8.424 546 HG LEU 71 HG LEU 71 -6.593 -6.304 -7.272 547 HD11 LEU 71 HD11 LEU 71 -6.558 -5.397 -9.545 548 HD12 LEU 71 HD12 LEU 71 -5.603 -6.776 -10.100 549 HD13 LEU 71 HD13 LEU 71 -4.923 -5.642 -8.931 550 HD21 LEU 71 HD21 LEU 71 -8.125 -8.171 -7.606 551 HD22 LEU 71 HD22 LEU 71 -7.559 -8.375 -9.267 552 HD23 LEU 71 HD23 LEU 71 -8.421 -6.906 -8.798 553 H LEU 72 H LEU 72 -3.690 -8.851 -4.835 554 HA LEU 72 HA LEU 72 -2.309 -11.191 -5.710 555 HB2 LEU 72 HB2 LEU 72 -2.042 -9.581 -3.143 556 HB3 LEU 72 HB3 LEU 72 -0.962 -10.894 -3.581 557 HG LEU 72 HG LEU 72 -1.280 -8.306 -5.139 558 HD11 LEU 72 HD11 LEU 72 0.980 -9.200 -3.331 559 HD12 LEU 72 HD12 LEU 72 -0.237 -7.983 -2.938 560 HD13 LEU 72 HD13 LEU 72 0.898 -7.696 -4.258 561 HD21 LEU 72 HD21 LEU 72 -0.661 -10.167 -6.609 562 HD22 LEU 72 HD22 LEU 72 0.686 -10.585 -5.546 563 HD23 LEU 72 HD23 LEU 72 0.684 -9.045 -6.411 564 H HIS 73 H HIS 73 -4.545 -10.551 -3.008 565 HA HIS 73 HA HIS 73 -4.315 -13.142 -1.801 566 HB2 HIS 73 HB2 HIS 73 -6.509 -11.037 -1.564 567 HB3 HIS 73 HB3 HIS 73 -6.473 -12.521 -0.618 568 HD1 HIS 73 HD1 HIS 73 -4.072 -12.755 0.840 569 HD2 HIS 73 HD2 HIS 73 -5.360 -8.965 -0.237 570 HE1 HIS 73 HE1 HIS 73 -2.844 -11.153 2.338 571 HE2 HIS 73 HE2 HIS 73 -3.898 -8.926 1.871 572 H ILE 74 H ILE 74 -6.434 -11.733 -4.238 573 HA ILE 74 HA ILE 74 -8.184 -13.927 -4.673 574 HB ILE 74 HB ILE 74 -7.263 -11.696 -6.554 575 HG12 ILE 74 HG12 ILE 74 -9.798 -11.931 -4.869 576 HG13 ILE 74 HG13 ILE 74 -8.429 -10.890 -4.521 577 HG21 ILE 74 HG21 ILE 74 -9.233 -12.182 -7.957 578 HG22 ILE 74 HG22 ILE 74 -9.616 -13.575 -6.944 579 HG23 ILE 74 HG23 ILE 74 -8.131 -13.562 -7.897 580 HD11 ILE 74 HD11 ILE 74 -8.881 -9.625 -6.580 581 HD12 ILE 74 HD12 ILE 74 -10.230 -9.608 -5.448 582 HD13 ILE 74 HD13 ILE 74 -10.298 -10.639 -6.876 583 H LYS 75 H LYS 75 -5.000 -13.063 -5.928 584 HA LYS 75 HA LYS 75 -4.897 -15.017 -8.027 585 HB2 LYS 75 HB2 LYS 75 -3.724 -12.835 -8.124 586 HB3 LYS 75 HB3 LYS 75 -2.678 -13.329 -6.798 587 HG2 LYS 75 HG2 LYS 75 -1.650 -15.050 -8.170 588 HG3 LYS 75 HG3 LYS 75 -2.809 -14.768 -9.471 589 HD2 LYS 75 HD2 LYS 75 -0.722 -12.774 -8.492 590 HD3 LYS 75 HD3 LYS 75 -0.615 -13.732 -9.970 591 HE2 LYS 75 HE2 LYS 75 -2.704 -12.587 -10.787 592 HE3 LYS 75 HE3 LYS 75 -2.648 -11.562 -9.351 593 HZ1 LYS 75 HZ1 LYS 75 -0.465 -11.741 -11.354 594 HZ2 LYS 75 HZ2 LYS 75 -0.569 -10.662 -10.063 595 HZ3 LYS 75 HZ3 LYS 75 -1.650 -10.538 -11.353 596 H GLN 76 H GLN 76 -3.592 -14.825 -4.713 597 HA GLN 76 HA GLN 76 -2.094 -17.279 -4.942 598 HB2 GLN 76 HB2 GLN 76 -1.579 -17.071 -2.598 599 HB3 GLN 76 HB3 GLN 76 -1.407 -15.496 -3.355 600 HG2 GLN 76 HG2 GLN 76 -3.533 -14.773 -2.383 601 HG3 GLN 76 HG3 GLN 76 -3.768 -16.364 -1.660 602 HE21 GLN 76 HE21 GLN 76 -0.648 -14.692 -1.776 603 HE22 GLN 76 HE22 GLN 76 -0.540 -14.438 -0.073 604 H HIS 77 H HIS 77 -5.365 -16.424 -4.115 605 HA HIS 77 HA HIS 77 -6.243 -18.723 -2.766 606 HB2 HIS 77 HB2 HIS 77 -7.696 -16.772 -2.935 607 HB3 HIS 77 HB3 HIS 77 -7.739 -16.887 -4.691 608 HD1 HIS 77 HD1 HIS 77 -9.015 -18.703 -1.602 609 HD2 HIS 77 HD2 HIS 77 -9.747 -18.515 -5.685 610 HE1 HIS 77 HE1 HIS 77 -11.102 -20.039 -1.979 611 HE2 HIS 77 HE2 HIS 77 -11.609 -19.763 -4.426 612 H GLU 78 H GLU 78 -5.675 -18.129 -6.184 613 HA GLU 78 HA GLU 78 -6.885 -20.428 -7.279 614 HB2 GLU 78 HB2 GLU 78 -4.398 -19.045 -8.358 615 HB3 GLU 78 HB3 GLU 78 -5.574 -19.984 -9.272 616 HG2 GLU 78 HG2 GLU 78 -5.996 -17.268 -7.997 617 HG3 GLU 78 HG3 GLU 78 -5.882 -17.622 -9.718 618 H GLU 79 H GLU 79 -3.615 -19.843 -6.010 619 HA GLU 79 HA GLU 79 -2.636 -22.483 -6.447 620 HB2 GLU 79 HB2 GLU 79 -1.679 -20.174 -4.727 621 HB3 GLU 79 HB3 GLU 79 -0.895 -21.744 -4.637 622 HG2 GLU 79 HG2 GLU 79 -1.152 -20.044 -7.129 623 HG3 GLU 79 HG3 GLU 79 0.299 -20.218 -6.144 624 H VAL 80 H VAL 80 -4.218 -20.891 -3.660 625 HA VAL 80 HA VAL 80 -3.840 -22.942 -1.758 626 HB VAL 80 HB VAL 80 -6.140 -20.921 -1.886 627 HG11 VAL 80 HG11 VAL 80 -5.117 -22.522 0.495 628 HG12 VAL 80 HG12 VAL 80 -6.653 -22.771 -0.339 629 HG13 VAL 80 HG13 VAL 80 -6.366 -21.276 0.551 630 HG21 VAL 80 HG21 VAL 80 -4.795 -19.543 -0.331 631 HG22 VAL 80 HG22 VAL 80 -3.940 -19.804 -1.850 632 HG23 VAL 80 HG23 VAL 80 -3.480 -20.717 -0.416 633 H GLU 81 H GLU 81 -6.403 -22.404 -4.156 634 HA GLU 81 HA GLU 81 -8.111 -24.557 -3.603 635 HB2 GLU 81 HB2 GLU 81 -7.457 -23.098 -6.192 636 HB3 GLU 81 HB3 GLU 81 -8.646 -24.394 -6.149 637 HG2 GLU 81 HG2 GLU 81 -8.802 -21.828 -4.543 638 HG3 GLU 81 HG3 GLU 81 -9.652 -22.135 -6.054 639 H LYS 82 H LYS 82 -5.195 -24.363 -5.626 640 HA LYS 82 HA LYS 82 -5.198 -27.000 -6.626 641 HB2 LYS 82 HB2 LYS 82 -3.872 -25.208 -7.645 642 HB3 LYS 82 HB3 LYS 82 -2.903 -25.041 -6.198 643 HG2 LYS 82 HG2 LYS 82 -2.896 -27.648 -7.732 644 HG3 LYS 82 HG3 LYS 82 -1.935 -26.292 -8.302 645 HD2 LYS 82 HD2 LYS 82 -1.646 -27.413 -5.487 646 HD3 LYS 82 HD3 LYS 82 -0.747 -28.064 -6.854 647 HE2 LYS 82 HE2 LYS 82 0.631 -26.489 -5.605 648 HE3 LYS 82 HE3 LYS 82 0.299 -25.854 -7.214 649 HZ1 LYS 82 HZ1 LYS 82 -1.336 -24.377 -6.271 650 HZ2 LYS 82 HZ2 LYS 82 0.136 -24.171 -5.474 651 HZ3 LYS 82 HZ3 LYS 82 -1.118 -25.032 -4.731 652 H ASP 83 H ASP 83 -3.718 -25.579 -3.688 653 HA ASP 83 HA ASP 83 -2.200 -27.856 -2.937 654 HB2 ASP 83 HB2 ASP 83 -3.101 -25.411 -1.372 655 HB3 ASP 83 HB3 ASP 83 -2.154 -26.694 -0.626 656 H LYS 84 H LYS 84 -5.412 -26.711 -1.866 657 HA LYS 84 HA LYS 84 -5.829 -28.811 0.038 658 HB2 LYS 84 HB2 LYS 84 -7.609 -26.662 -1.132 659 HB3 LYS 84 HB3 LYS 84 -8.362 -28.003 -0.289 660 HG2 LYS 84 HG2 LYS 84 -8.223 -26.325 1.325 661 HG3 LYS 84 HG3 LYS 84 -6.887 -27.399 1.718 662 HD2 LYS 84 HD2 LYS 84 -6.364 -24.985 -0.008 663 HD3 LYS 84 HD3 LYS 84 -6.611 -24.754 1.716 664 HE2 LYS 84 HE2 LYS 84 -4.502 -26.590 0.543 665 HE3 LYS 84 HE3 LYS 84 -4.214 -24.920 1.036 666 HZ1 LYS 84 HZ1 LYS 84 -3.592 -26.534 2.742 667 HZ2 LYS 84 HZ2 LYS 84 -5.192 -27.061 2.850 668 HZ3 LYS 84 HZ3 LYS 84 -4.785 -25.474 3.280 669 H LYS 85 H LYS 85 -6.494 -28.483 -3.403 670 HA LYS 85 HA LYS 85 -8.005 -31.017 -3.473 671 HB2 LYS 85 HB2 LYS 85 -7.467 -28.943 -5.642 672 HB3 LYS 85 HB3 LYS 85 -8.370 -30.439 -5.898 673 HG2 LYS 85 HG2 LYS 85 -10.015 -29.696 -4.150 674 HG3 LYS 85 HG3 LYS 85 -9.144 -28.163 -4.035 675 HD2 LYS 85 HD2 LYS 85 -9.669 -27.637 -6.362 676 HD3 LYS 85 HD3 LYS 85 -10.422 -29.221 -6.588 677 HE2 LYS 85 HE2 LYS 85 -12.145 -27.517 -6.290 678 HE3 LYS 85 HE3 LYS 85 -12.148 -28.613 -4.908 679 HZ1 LYS 85 HZ1 LYS 85 -12.351 -26.278 -4.258 680 HZ2 LYS 85 HZ2 LYS 85 -10.857 -25.934 -4.961 681 HZ3 LYS 85 HZ3 LYS 85 -10.945 -26.971 -3.629 682 H ALA 86 H ALA 86 -4.798 -30.153 -3.573 683 HA ALA 86 HA ALA 86 -3.850 -32.157 -5.438 684 HB1 ALA 86 HB1 ALA 86 -2.323 -30.692 -3.234 685 HB2 ALA 86 HB2 ALA 86 -2.466 -30.167 -4.912 686 HB3 ALA 86 HB3 ALA 86 -1.612 -31.661 -4.531 687 H LYS 87 H LYS 87 -4.953 -34.016 -4.794 688 HA LYS 87 HA LYS 87 -4.609 -35.121 -2.107 689 HB2 LYS 87 HB2 LYS 87 -6.810 -35.304 -3.275 690 HB3 LYS 87 HB3 LYS 87 -6.047 -36.229 -4.560 691 HG2 LYS 87 HG2 LYS 87 -7.254 -37.736 -3.090 692 HG3 LYS 87 HG3 LYS 87 -5.522 -38.039 -2.930 693 HD2 LYS 87 HD2 LYS 87 -6.575 -38.096 -0.731 694 HD3 LYS 87 HD3 LYS 87 -5.508 -36.694 -0.826 695 HE2 LYS 87 HE2 LYS 87 -7.461 -35.230 -1.216 696 HE3 LYS 87 HE3 LYS 87 -8.530 -36.635 -1.180 697 HZ1 LYS 87 HZ1 LYS 87 -7.960 -37.007 1.117 698 HZ2 LYS 87 HZ2 LYS 87 -8.478 -35.407 0.938 699 HZ3 LYS 87 HZ3 LYS 87 -6.832 -35.752 1.098 700 H GLN 88 H GLN 88 -3.967 -36.101 -5.455 701 HA GLN 88 HA GLN 88 -2.238 -38.309 -4.793 702 HB2 GLN 88 HB2 GLN 88 -3.722 -38.186 -6.821 703 HB3 GLN 88 HB3 GLN 88 -2.723 -36.893 -7.463 704 HG2 GLN 88 HG2 GLN 88 -2.132 -38.907 -8.607 705 HG3 GLN 88 HG3 GLN 88 -0.794 -38.511 -7.537 706 HE21 GLN 88 HE21 GLN 88 -1.584 -41.073 -8.771 707 HE22 GLN 88 HE22 GLN 88 -1.759 -42.193 -7.466 708 H GLN 89 H GLN 89 -1.821 -34.925 -5.183 709 HA GLN 89 HA GLN 89 1.139 -35.129 -5.365 710 HB2 GLN 89 HB2 GLN 89 -0.689 -32.871 -6.335 711 HB3 GLN 89 HB3 GLN 89 1.072 -32.888 -6.440 712 HG2 GLN 89 HG2 GLN 89 1.003 -34.768 -8.003 713 HG3 GLN 89 HG3 GLN 89 -0.749 -34.872 -7.842 714 HE21 GLN 89 HE21 GLN 89 1.887 -33.020 -9.209 715 HE22 GLN 89 HE22 GLN 89 0.930 -32.104 -10.308 716 H LYS 90 H LYS 90 2.331 -33.699 -4.004 717 HA LYS 90 HA LYS 90 0.832 -32.202 -1.908 718 HB2 LYS 90 HB2 LYS 90 3.587 -33.523 -1.707 719 HB3 LYS 90 HB3 LYS 90 2.877 -32.494 -0.465 720 HG2 LYS 90 HG2 LYS 90 1.059 -34.133 -0.142 721 HG3 LYS 90 HG3 LYS 90 1.770 -35.167 -1.387 722 HD2 LYS 90 HD2 LYS 90 3.792 -35.467 -0.037 723 HD3 LYS 90 HD3 LYS 90 3.180 -34.353 1.190 724 HE2 LYS 90 HE2 LYS 90 2.905 -36.675 1.917 725 HE3 LYS 90 HE3 LYS 90 1.326 -35.922 1.676 726 HZ1 LYS 90 HZ1 LYS 90 1.123 -37.047 -0.421 727 HZ2 LYS 90 HZ2 LYS 90 1.482 -38.194 0.767 728 HZ3 LYS 90 HZ3 LYS 90 2.683 -37.672 -0.299 729 H THR 91 H THR 91 0.758 -30.421 -3.433 730 HA THR 91 HA THR 91 1.400 -28.412 -4.315 731 HB THR 91 HB THR 91 3.884 -28.563 -2.527 732 HG1 THR 91 HG1 THR 91 1.234 -27.814 -1.764 733 HG21 THR 91 HG21 THR 91 2.166 -26.180 -3.329 734 HG22 THR 91 HG22 THR 91 3.767 -26.553 -3.974 735 HG23 THR 91 HG23 THR 91 3.580 -26.129 -2.271 736 H LEU 92 H LEU 92 3.524 -27.283 -5.499 737 HA LEU 92 HA LEU 92 4.943 -29.119 -7.162 738 HB2 LEU 92 HB2 LEU 92 4.494 -26.515 -7.436 739 HB3 LEU 92 HB3 LEU 92 5.956 -26.324 -6.494 740 HG LEU 92 HG LEU 92 5.761 -27.720 -9.201 741 HD11 LEU 92 HD11 LEU 92 6.961 -25.769 -10.092 742 HD12 LEU 92 HD12 LEU 92 6.895 -24.994 -8.508 743 HD13 LEU 92 HD13 LEU 92 5.405 -25.319 -9.395 744 HD21 LEU 92 HD21 LEU 92 8.248 -27.078 -7.586 745 HD22 LEU 92 HD22 LEU 92 8.218 -27.728 -9.229 746 HD23 LEU 92 HD23 LEU 92 7.586 -28.683 -7.890 747 H LYS 93 H LYS 93 6.147 -26.982 -4.535 748 HA LYS 93 HA LYS 93 7.295 -29.129 -3.019 749 HB2 LYS 93 HB2 LYS 93 9.053 -28.916 -4.775 750 HB3 LYS 93 HB3 LYS 93 9.235 -27.206 -4.403 751 HG2 LYS 93 HG2 LYS 93 10.037 -27.782 -2.129 752 HG3 LYS 93 HG3 LYS 93 9.846 -29.500 -2.496 753 HD2 LYS 93 HD2 LYS 93 11.550 -29.322 -4.278 754 HD3 LYS 93 HD3 LYS 93 11.714 -27.591 -3.967 755 HE2 LYS 93 HE2 LYS 93 12.582 -28.065 -1.716 756 HE3 LYS 93 HE3 LYS 93 12.364 -29.797 -1.981 757 HZ1 LYS 93 HZ1 LYS 93 14.167 -28.029 -3.547 758 HZ2 LYS 93 HZ2 LYS 93 13.976 -29.694 -3.774 759 HZ3 LYS 93 HZ3 LYS 93 14.655 -29.106 -2.342 760 H GLN 94 H GLN 94 6.412 -28.403 -1.178 761 HA GLN 94 HA GLN 94 6.061 -25.714 -0.369 762 HB2 GLN 94 HB2 GLN 94 4.665 -27.528 0.498 763 HB3 GLN 94 HB3 GLN 94 6.062 -28.307 1.231 764 HG2 GLN 94 HG2 GLN 94 6.307 -26.429 2.804 765 HG3 GLN 94 HG3 GLN 94 4.932 -25.608 2.060 766 HE21 GLN 94 HE21 GLN 94 5.293 -26.475 4.824 767 HE22 GLN 94 HE22 GLN 94 3.980 -27.542 5.177 768 H SER 95 H SER 95 8.580 -28.099 0.296 769 HA SER 95 HA SER 95 10.674 -28.034 1.139 770 HB2 SER 95 HB2 SER 95 10.946 -26.503 -0.823 771 HB3 SER 95 HB3 SER 95 10.602 -25.124 0.218 772 HG SER 95 HG SER 95 12.503 -25.447 1.276 773 H ASP 96 H ASP 96 8.788 -27.832 3.115 774 HA ASP 96 HA ASP 96 9.180 -25.667 4.930 775 HB2 ASP 96 HB2 ASP 96 7.905 -27.028 6.559 776 HB3 ASP 96 HB3 ASP 96 7.108 -26.974 4.992 777 H THR 97 H THR 97 10.712 -28.838 4.593 778 HA THR 97 HA THR 97 12.750 -29.600 5.163 779 HB THR 97 HB THR 97 13.513 -26.825 6.178 780 HG1 THR 97 HG1 THR 97 12.724 -26.282 4.235 781 HG21 THR 97 HG21 THR 97 15.728 -27.344 5.231 782 HG22 THR 97 HG22 THR 97 15.140 -28.901 4.651 783 HG23 THR 97 HG23 THR 97 15.258 -28.600 6.385 784 H LYS 98 H LYS 98 10.542 -29.573 7.143 785 HA LYS 98 HA LYS 98 10.072 -30.358 9.190 786 HB2 LYS 98 HB2 LYS 98 13.006 -31.114 9.187 787 HB3 LYS 98 HB3 LYS 98 11.945 -31.530 10.524 788 HG2 LYS 98 HG2 LYS 98 11.614 -32.441 7.646 789 HG3 LYS 98 HG3 LYS 98 12.247 -33.417 8.973 790 HD2 LYS 98 HD2 LYS 98 9.423 -32.279 8.808 791 HD3 LYS 98 HD3 LYS 98 9.875 -33.950 8.478 792 HE2 LYS 98 HE2 LYS 98 10.589 -34.239 10.815 793 HE3 LYS 98 HE3 LYS 98 10.206 -32.551 11.156 794 HZ1 LYS 98 HZ1 LYS 98 8.252 -34.642 10.342 795 HZ2 LYS 98 HZ2 LYS 98 7.880 -33.026 10.645 796 HZ3 LYS 98 HZ3 LYS 98 8.437 -34.013 11.898 797 H VAL 99 H VAL 99 13.329 -29.086 9.995 798 HA VAL 99 HA VAL 99 12.415 -27.867 12.400 799 HB VAL 99 HB VAL 99 14.651 -28.689 12.417 800 HG11 VAL 99 HG11 VAL 99 15.349 -26.880 10.091 801 HG12 VAL 99 HG12 VAL 99 15.189 -28.636 10.041 802 HG13 VAL 99 HG13 VAL 99 16.486 -27.898 10.985 803 HG21 VAL 99 HG21 VAL 99 15.994 -26.752 13.151 804 HG22 VAL 99 HG22 VAL 99 14.343 -26.661 13.767 805 HG23 VAL 99 HG23 VAL 99 14.831 -25.655 12.401 Start of MODEL 14 1 H2 GLY 1 H2 GLY 1 -32.058 15.279 -6.019 2 H GLY 1 H1 GLY 1 -30.580 14.484 -6.218 3 H3 GLY 1 H3 GLY 1 -31.177 14.785 -4.664 4 HA2 GLY 1 HA2 GLY 1 -30.330 16.834 -6.629 5 HA3 GLY 1 HA3 GLY 1 -30.991 17.166 -5.031 6 H VAL 2 H VAL 2 -29.069 18.279 -4.477 7 HA VAL 2 HA VAL 2 -27.081 16.813 -3.104 8 HB VAL 2 HB VAL 2 -26.098 16.433 -5.332 9 HG11 VAL 2 HG11 VAL 2 -25.977 19.450 -5.675 10 HG12 VAL 2 HG12 VAL 2 -26.998 18.328 -6.580 11 HG13 VAL 2 HG13 VAL 2 -25.244 18.256 -6.756 12 HG21 VAL 2 HG21 VAL 2 -24.556 16.691 -3.430 13 HG22 VAL 2 HG22 VAL 2 -24.431 18.425 -3.742 14 HG23 VAL 2 HG23 VAL 2 -23.815 17.268 -4.925 15 H GLU 3 H GLU 3 -27.972 19.887 -4.629 16 HA GLU 3 HA GLU 3 -27.766 22.056 -4.145 17 HB2 GLU 3 HB2 GLU 3 -28.063 21.006 -1.302 18 HB3 GLU 3 HB3 GLU 3 -28.135 22.718 -1.709 19 HG2 GLU 3 HG2 GLU 3 -30.120 22.317 -3.116 20 HG3 GLU 3 HG3 GLU 3 -30.024 20.590 -2.782 21 H LYS 4 H LYS 4 -25.562 21.696 -5.043 22 HA LYS 4 HA LYS 4 -23.323 21.967 -3.247 23 HB2 LYS 4 HB2 LYS 4 -23.140 20.844 -5.500 24 HB3 LYS 4 HB3 LYS 4 -23.397 22.408 -6.269 25 HG2 LYS 4 HG2 LYS 4 -21.016 21.815 -6.234 26 HG3 LYS 4 HG3 LYS 4 -21.314 23.268 -5.271 27 HD2 LYS 4 HD2 LYS 4 -21.300 21.834 -3.199 28 HD3 LYS 4 HD3 LYS 4 -20.898 20.439 -4.206 29 HE2 LYS 4 HE2 LYS 4 -18.803 21.582 -4.897 30 HE3 LYS 4 HE3 LYS 4 -19.215 22.935 -3.839 31 HZ1 LYS 4 HZ1 LYS 4 -19.074 21.500 -1.934 32 HZ2 LYS 4 HZ2 LYS 4 -17.648 21.331 -2.824 33 HZ3 LYS 4 HZ3 LYS 4 -18.837 20.137 -2.902 34 H THR 5 H THR 5 -24.037 23.727 -2.043 35 HA THR 5 HA THR 5 -23.316 26.371 -2.922 36 HB THR 5 HB THR 5 -25.619 26.240 -3.852 37 HG1 THR 5 HG1 THR 5 -25.261 28.283 -3.296 38 HG21 THR 5 HG21 THR 5 -26.550 25.809 -0.984 39 HG22 THR 5 HG22 THR 5 -26.625 24.618 -2.289 40 HG23 THR 5 HG23 THR 5 -27.587 26.094 -2.385 41 H ALA 6 H ALA 6 -23.704 27.959 -1.033 42 HA ALA 6 HA ALA 6 -23.029 28.546 1.063 43 HB1 ALA 6 HB1 ALA 6 -25.292 27.728 1.681 44 HB2 ALA 6 HB2 ALA 6 -24.136 27.421 2.975 45 HB3 ALA 6 HB3 ALA 6 -24.650 26.099 1.924 46 H GLY 7 H GLY 7 -21.073 27.395 -0.288 47 HA2 GLY 7 HA2 GLY 7 -20.080 24.873 0.437 48 HA3 GLY 7 HA3 GLY 7 -19.190 26.131 -0.398 49 H GLU 8 H GLU 8 -17.936 24.408 1.294 50 HA GLU 8 HA GLU 8 -17.738 25.359 4.001 51 HB2 GLU 8 HB2 GLU 8 -15.926 23.379 2.551 52 HB3 GLU 8 HB3 GLU 8 -16.074 23.585 4.293 53 HG2 GLU 8 HG2 GLU 8 -18.158 22.470 2.396 54 HG3 GLU 8 HG3 GLU 8 -17.257 21.586 3.625 55 H THR 9 H THR 9 -16.079 26.452 4.971 56 HA THR 9 HA THR 9 -14.418 28.215 3.450 57 HB THR 9 HB THR 9 -14.388 27.622 6.452 58 HG1 THR 9 HG1 THR 9 -16.189 28.902 4.888 59 HG21 THR 9 HG21 THR 9 -13.372 29.883 6.674 60 HG22 THR 9 HG22 THR 9 -13.291 30.019 4.916 61 HG23 THR 9 HG23 THR 9 -12.326 28.801 5.750 62 H SER 10 H SER 10 -13.129 26.924 2.194 63 HA SER 10 HA SER 10 -11.515 24.764 3.169 64 HB2 SER 10 HB2 SER 10 -12.367 24.759 0.857 65 HB3 SER 10 HB3 SER 10 -11.494 26.249 0.505 66 HG SER 10 HG SER 10 -10.611 23.673 0.488 67 H ALA 11 H ALA 11 -10.098 25.453 4.732 68 HA ALA 11 HA ALA 11 -8.005 27.421 3.969 69 HB1 ALA 11 HB1 ALA 11 -7.638 27.743 6.397 70 HB2 ALA 11 HB2 ALA 11 -8.941 26.608 6.755 71 HB3 ALA 11 HB3 ALA 11 -9.300 28.136 5.947 72 H THR 12 H THR 12 -6.397 26.198 3.093 73 HA THR 12 HA THR 12 -5.746 23.558 4.199 74 HB THR 12 HB THR 12 -5.995 23.655 1.781 75 HG1 THR 12 HG1 THR 12 -4.550 22.150 1.966 76 HG21 THR 12 HG21 THR 12 -5.374 25.987 1.314 77 HG22 THR 12 HG22 THR 12 -4.448 24.886 0.296 78 HG23 THR 12 HG23 THR 12 -3.688 25.632 1.704 79 H ASP 13 H ASP 13 -4.970 24.335 6.182 80 HA ASP 13 HA ASP 13 -2.807 26.206 6.468 81 HB2 ASP 13 HB2 ASP 13 -4.143 24.288 8.429 82 HB3 ASP 13 HB3 ASP 13 -2.875 25.409 8.903 83 H THR 14 H THR 14 -0.964 25.481 5.403 84 HA THR 14 HA THR 14 0.143 22.874 5.684 85 HB THR 14 HB THR 14 1.784 25.341 4.964 86 HG1 THR 14 HG1 THR 14 1.051 24.909 2.773 87 HG21 THR 14 HG21 THR 14 3.022 23.184 5.166 88 HG22 THR 14 HG22 THR 14 3.000 23.765 3.502 89 HG23 THR 14 HG23 THR 14 1.927 22.452 3.987 90 H GLY 15 H GLY 15 0.287 22.360 7.808 91 HA2 GLY 15 HA2 GLY 15 2.350 22.698 9.502 92 HA3 GLY 15 HA3 GLY 15 1.344 24.105 9.867 93 H LYS 16 H LYS 16 -1.073 23.536 10.065 94 HA LYS 16 HA LYS 16 -1.519 21.580 12.095 95 HB2 LYS 16 HB2 LYS 16 -2.875 23.586 12.053 96 HB3 LYS 16 HB3 LYS 16 -3.395 23.301 10.404 97 HG2 LYS 16 HG2 LYS 16 -4.168 21.250 12.473 98 HG3 LYS 16 HG3 LYS 16 -4.980 22.815 12.528 99 HD2 LYS 16 HD2 LYS 16 -5.667 22.514 10.144 100 HD3 LYS 16 HD3 LYS 16 -4.892 20.930 10.134 101 HE2 LYS 16 HE2 LYS 16 -7.226 21.713 11.919 102 HE3 LYS 16 HE3 LYS 16 -7.350 20.791 10.419 103 HZ1 LYS 16 HZ1 LYS 16 -5.946 19.953 12.898 104 HZ2 LYS 16 HZ2 LYS 16 -5.907 19.095 11.445 105 HZ3 LYS 16 HZ3 LYS 16 -7.368 19.300 12.262 106 H ARG 17 H ARG 17 -2.582 21.807 8.697 107 HA ARG 17 HA ARG 17 -3.574 19.187 8.367 108 HB2 ARG 17 HB2 ARG 17 -4.141 21.005 6.817 109 HB3 ARG 17 HB3 ARG 17 -2.454 21.171 6.342 110 HG2 ARG 17 HG2 ARG 17 -2.634 18.752 5.460 111 HG3 ARG 17 HG3 ARG 17 -4.379 18.931 5.669 112 HD2 ARG 17 HD2 ARG 17 -4.328 20.910 4.161 113 HD3 ARG 17 HD3 ARG 17 -2.591 20.672 3.939 114 HE ARG 17 HE ARG 17 -4.324 18.437 3.241 115 HH11 ARG 17 HH11 ARG 17 -2.535 21.231 2.049 116 HH12 ARG 17 HH12 ARG 17 -2.514 20.665 0.408 117 HH21 ARG 17 HH21 ARG 17 -4.299 17.730 1.093 118 HH22 ARG 17 HH22 ARG 17 -3.514 18.686 -0.124 119 H GLU 18 H GLU 18 -0.333 20.565 8.047 120 HA GLU 18 HA GLU 18 0.967 18.493 6.652 121 HB2 GLU 18 HB2 GLU 18 1.943 20.783 7.000 122 HB3 GLU 18 HB3 GLU 18 2.191 20.390 8.698 123 HG2 GLU 18 HG2 GLU 18 3.614 18.406 7.852 124 HG3 GLU 18 HG3 GLU 18 3.596 19.214 6.287 125 H LYS 19 H LYS 19 0.659 19.100 10.180 126 HA LYS 19 HA LYS 19 2.221 16.960 11.110 127 HB2 LYS 19 HB2 LYS 19 -0.163 18.318 12.430 128 HB3 LYS 19 HB3 LYS 19 0.896 17.178 13.261 129 HG2 LYS 19 HG2 LYS 19 2.801 18.674 12.984 130 HG3 LYS 19 HG3 LYS 19 1.818 19.794 12.036 131 HD2 LYS 19 HD2 LYS 19 0.329 20.082 14.072 132 HD3 LYS 19 HD3 LYS 19 1.494 19.119 14.988 133 HE2 LYS 19 HE2 LYS 19 2.036 21.783 13.631 134 HE3 LYS 19 HE3 LYS 19 1.876 21.502 15.364 135 HZ1 LYS 19 HZ1 LYS 19 4.185 21.658 14.734 136 HZ2 LYS 19 HZ2 LYS 19 4.012 20.407 13.612 137 HZ3 LYS 19 HZ3 LYS 19 3.850 20.088 15.265 138 H GLN 20 H GLN 20 -1.252 17.119 10.381 139 HA GLN 20 HA GLN 20 -2.013 14.490 11.054 140 HB2 GLN 20 HB2 GLN 20 -3.141 16.262 8.836 141 HB3 GLN 20 HB3 GLN 20 -3.931 14.832 9.501 142 HG2 GLN 20 HG2 GLN 20 -4.134 15.939 11.678 143 HG3 GLN 20 HG3 GLN 20 -3.309 17.365 11.044 144 HE21 GLN 20 HE21 GLN 20 -6.264 15.475 10.937 145 HE22 GLN 20 HE22 GLN 20 -7.236 16.678 10.164 146 H LEU 21 H LEU 21 -0.644 15.890 8.127 147 HA LEU 21 HA LEU 21 -1.029 13.608 6.438 148 HB2 LEU 21 HB2 LEU 21 -1.002 16.027 5.738 149 HB3 LEU 21 HB3 LEU 21 0.727 16.062 6.000 150 HG LEU 21 HG LEU 21 -0.457 14.094 4.001 151 HD11 LEU 21 HD11 LEU 21 0.197 16.985 3.370 152 HD12 LEU 21 HD12 LEU 21 -1.421 16.277 3.424 153 HD13 LEU 21 HD13 LEU 21 -0.266 15.733 2.210 154 HD21 LEU 21 HD21 LEU 21 1.699 14.345 2.836 155 HD22 LEU 21 HD22 LEU 21 1.945 13.837 4.503 156 HD23 LEU 21 HD23 LEU 21 2.236 15.516 4.048 157 H GLN 22 H GLN 22 1.676 14.799 8.424 158 HA GLN 22 HA GLN 22 3.736 13.186 7.288 159 HB2 GLN 22 HB2 GLN 22 3.556 14.360 10.103 160 HB3 GLN 22 HB3 GLN 22 5.011 13.685 9.381 161 HG2 GLN 22 HG2 GLN 22 3.560 16.106 8.287 162 HG3 GLN 22 HG3 GLN 22 4.884 16.197 9.440 163 HE21 GLN 22 HE21 GLN 22 6.085 17.451 7.974 164 HE22 GLN 22 HE22 GLN 22 6.861 16.757 6.594 165 H GLN 23 H GLN 23 1.546 12.810 10.046 166 HA GLN 23 HA GLN 23 2.499 10.254 10.905 167 HB2 GLN 23 HB2 GLN 23 -0.138 11.682 11.461 168 HB3 GLN 23 HB3 GLN 23 0.414 10.235 12.305 169 HG2 GLN 23 HG2 GLN 23 2.320 11.438 13.222 170 HG3 GLN 23 HG3 GLN 23 1.896 12.883 12.302 171 HE21 GLN 23 HE21 GLN 23 0.105 14.129 12.977 172 HE22 GLN 23 HE22 GLN 23 -0.598 13.952 14.543 173 H TRP 24 H TRP 24 -0.206 11.343 8.867 174 HA TRP 24 HA TRP 24 -1.429 8.818 8.423 175 HB2 TRP 24 HB2 TRP 24 -2.680 10.894 8.045 176 HB3 TRP 24 HB3 TRP 24 -1.543 11.406 6.800 177 HD1 TRP 24 HD1 TRP 24 -3.394 7.989 7.124 178 HE1 TRP 24 HE1 TRP 24 -4.744 7.610 4.968 179 HE3 TRP 24 HE3 TRP 24 -2.360 12.381 4.734 180 HZ2 TRP 24 HZ2 TRP 24 -5.301 8.976 2.582 181 HZ3 TRP 24 HZ3 TRP 24 -3.336 12.764 2.509 182 HH2 TRP 24 HH2 TRP 24 -4.777 11.097 1.451 183 H LYS 25 H LYS 25 1.132 10.568 6.769 184 HA LYS 25 HA LYS 25 1.599 9.073 4.473 185 HB2 LYS 25 HB2 LYS 25 2.664 11.195 5.041 186 HB3 LYS 25 HB3 LYS 25 3.428 10.469 6.450 187 HG2 LYS 25 HG2 LYS 25 4.862 9.115 4.969 188 HG3 LYS 25 HG3 LYS 25 4.118 9.888 3.559 189 HD2 LYS 25 HD2 LYS 25 5.618 11.333 5.785 190 HD3 LYS 25 HD3 LYS 25 6.256 10.970 4.185 191 HE2 LYS 25 HE2 LYS 25 3.825 12.714 4.687 192 HE3 LYS 25 HE3 LYS 25 5.451 13.322 4.436 193 HZ1 LYS 25 HZ1 LYS 25 3.888 11.737 2.486 194 HZ2 LYS 25 HZ2 LYS 25 5.466 12.286 2.253 195 HZ3 LYS 25 HZ3 LYS 25 4.206 13.396 2.402 196 H ASN 26 H ASN 26 2.954 8.729 7.730 197 HA ASN 26 HA ASN 26 4.403 6.334 7.349 198 HB2 ASN 26 HB2 ASN 26 3.300 7.562 9.915 199 HB3 ASN 26 HB3 ASN 26 4.496 6.267 9.853 200 HD21 ASN 26 HD21 ASN 26 4.698 8.940 11.013 201 HD22 ASN 26 HD22 ASN 26 6.056 9.694 10.258 202 H ASN 27 H ASN 27 1.053 6.989 8.275 203 HA ASN 27 HA ASN 27 0.372 4.407 9.264 204 HB2 ASN 27 HB2 ASN 27 -1.283 6.765 8.284 205 HB3 ASN 27 HB3 ASN 27 -2.042 5.248 8.746 206 HD21 ASN 27 HD21 ASN 27 0.803 6.464 10.491 207 HD22 ASN 27 HD22 ASN 27 -0.059 6.867 11.928 208 H LEU 28 H LEU 28 0.010 5.969 6.073 209 HA LEU 28 HA LEU 28 -1.242 3.840 4.713 210 HB2 LEU 28 HB2 LEU 28 0.611 5.993 3.604 211 HB3 LEU 28 HB3 LEU 28 -0.352 4.907 2.611 212 HG LEU 28 HG LEU 28 -1.451 7.010 4.514 213 HD11 LEU 28 HD11 LEU 28 -1.409 6.968 1.480 214 HD12 LEU 28 HD12 LEU 28 -0.415 7.988 2.526 215 HD13 LEU 28 HD13 LEU 28 -2.164 8.196 2.501 216 HD21 LEU 28 HD21 LEU 28 -3.657 6.466 3.581 217 HD22 LEU 28 HD22 LEU 28 -2.951 5.086 4.417 218 HD23 LEU 28 HD23 LEU 28 -2.952 5.139 2.650 219 H LYS 29 H LYS 29 2.170 4.713 5.121 220 HA LYS 29 HA LYS 29 3.413 2.624 3.725 221 HB2 LYS 29 HB2 LYS 29 4.296 4.298 6.100 222 HB3 LYS 29 HB3 LYS 29 5.372 3.142 5.320 223 HG2 LYS 29 HG2 LYS 29 5.549 4.407 3.354 224 HG3 LYS 29 HG3 LYS 29 4.040 5.276 3.649 225 HD2 LYS 29 HD2 LYS 29 6.235 6.598 3.951 226 HD3 LYS 29 HD3 LYS 29 5.032 6.723 5.232 227 HE2 LYS 29 HE2 LYS 29 6.282 5.164 6.616 228 HE3 LYS 29 HE3 LYS 29 7.452 4.890 5.323 229 HZ1 LYS 29 HZ1 LYS 29 8.127 7.189 5.478 230 HZ2 LYS 29 HZ2 LYS 29 8.260 6.456 6.996 231 HZ3 LYS 29 HZ3 LYS 29 6.969 7.496 6.673 232 H ASN 30 H ASN 30 2.206 2.759 7.083 233 HA ASN 30 HA ASN 30 3.225 0.279 7.996 234 HB2 ASN 30 HB2 ASN 30 1.005 2.099 8.958 235 HB3 ASN 30 HB3 ASN 30 1.047 0.454 9.589 236 HD21 ASN 30 HD21 ASN 30 2.536 3.567 9.707 237 HD22 ASN 30 HD22 ASN 30 3.681 3.204 10.936 238 H ASP 31 H ASP 31 0.129 1.187 6.537 239 HA ASP 31 HA ASP 31 -1.084 -1.348 6.438 240 HB2 ASP 31 HB2 ASP 31 -1.430 1.065 4.605 241 HB3 ASP 31 HB3 ASP 31 -2.412 -0.388 4.475 242 H VAL 32 H VAL 32 1.136 0.262 4.189 243 HA VAL 32 HA VAL 32 1.068 -1.544 2.032 244 HB VAL 32 HB VAL 32 3.258 0.381 2.969 245 HG11 VAL 32 HG11 VAL 32 4.358 0.103 0.764 246 HG12 VAL 32 HG12 VAL 32 3.233 -1.197 0.369 247 HG13 VAL 32 HG13 VAL 32 4.381 -1.402 1.692 248 HG21 VAL 32 HG21 VAL 32 1.318 0.535 0.629 249 HG22 VAL 32 HG22 VAL 32 2.504 1.769 1.073 250 HG23 VAL 32 HG23 VAL 32 1.155 1.406 2.151 251 H ASP 33 H ASP 33 3.116 -1.487 4.956 252 HA ASP 33 HA ASP 33 4.593 -3.875 4.395 253 HB2 ASP 33 HB2 ASP 33 4.121 -2.294 6.957 254 HB3 ASP 33 HB3 ASP 33 5.018 -3.807 6.984 255 H ASN 34 H ASN 34 1.544 -3.218 5.997 256 HA ASN 34 HA ASN 34 1.229 -5.791 7.260 257 HB2 ASN 34 HB2 ASN 34 -0.652 -3.412 6.918 258 HB3 ASN 34 HB3 ASN 34 -1.150 -4.899 7.725 259 HD21 ASN 34 HD21 ASN 34 -0.681 -2.072 8.663 260 HD22 ASN 34 HD22 ASN 34 0.336 -2.243 10.045 261 H THR 35 H THR 35 0.374 -4.463 4.164 262 HA THR 35 HA THR 35 -1.564 -6.525 3.493 263 HB THR 35 HB THR 35 -1.422 -5.484 1.166 264 HG1 THR 35 HG1 THR 35 0.033 -3.411 2.447 265 HG21 THR 35 HG21 THR 35 -2.643 -3.424 1.760 266 HG22 THR 35 HG22 THR 35 -2.117 -3.589 3.435 267 HG23 THR 35 HG23 THR 35 -3.198 -4.794 2.726 268 H ILE 36 H ILE 36 -1.171 -7.958 1.577 269 HA ILE 36 HA ILE 36 1.316 -9.379 2.044 270 HB ILE 36 HB ILE 36 0.372 -11.257 0.862 271 HG12 ILE 36 HG12 ILE 36 -2.055 -9.595 0.017 272 HG13 ILE 36 HG13 ILE 36 -0.693 -9.920 -1.049 273 HG21 ILE 36 HG21 ILE 36 -1.820 -9.938 2.507 274 HG22 ILE 36 HG22 ILE 36 -0.470 -10.883 3.148 275 HG23 ILE 36 HG23 ILE 36 -1.693 -11.663 2.144 276 HD11 ILE 36 HD11 ILE 36 -2.478 -12.032 0.185 277 HD12 ILE 36 HD12 ILE 36 -1.125 -12.324 -0.914 278 HD13 ILE 36 HD13 ILE 36 -2.546 -11.446 -1.477 279 H LEU 37 H LEU 37 1.410 -6.818 0.487 280 HA LEU 37 HA LEU 37 1.996 -7.219 -2.230 281 HB2 LEU 37 HB2 LEU 37 3.349 -5.200 -0.405 282 HB3 LEU 37 HB3 LEU 37 3.193 -5.099 -2.152 283 HG LEU 37 HG LEU 37 1.010 -4.743 -0.075 284 HD11 LEU 37 HD11 LEU 37 0.858 -2.470 -0.969 285 HD12 LEU 37 HD12 LEU 37 2.174 -2.810 -2.097 286 HD13 LEU 37 HD13 LEU 37 2.476 -2.818 -0.356 287 HD21 LEU 37 HD21 LEU 37 0.026 -5.964 -1.915 288 HD22 LEU 37 HD22 LEU 37 0.682 -4.814 -3.086 289 HD23 LEU 37 HD23 LEU 37 -0.547 -4.298 -1.926 290 H SER 38 H SER 38 4.003 -7.477 -3.315 291 HA SER 38 HA SER 38 6.072 -8.993 -2.057 292 HB2 SER 38 HB2 SER 38 7.270 -8.689 -4.201 293 HB3 SER 38 HB3 SER 38 5.587 -9.118 -4.509 294 HG SER 38 HG SER 38 5.655 -7.393 -5.724 295 H HIS 39 H HIS 39 8.232 -8.233 -1.571 296 HA HIS 39 HA HIS 39 8.420 -5.868 -0.091 297 HB2 HIS 39 HB2 HIS 39 9.929 -7.800 0.242 298 HB3 HIS 39 HB3 HIS 39 10.668 -7.522 -1.331 299 HD1 HIS 39 HD1 HIS 39 10.198 -5.569 1.919 300 HD2 HIS 39 HD2 HIS 39 12.980 -6.094 -1.122 301 HE1 HIS 39 HE1 HIS 39 12.208 -4.210 2.596 302 HE2 HIS 39 HE2 HIS 39 13.818 -4.448 0.675 303 H GLU 40 H GLU 40 9.100 -6.483 -3.487 304 HA GLU 40 HA GLU 40 10.502 -4.085 -4.124 305 HB2 GLU 40 HB2 GLU 40 8.934 -5.999 -5.911 306 HB3 GLU 40 HB3 GLU 40 10.031 -4.746 -6.499 307 HG2 GLU 40 HG2 GLU 40 11.929 -5.835 -5.415 308 HG3 GLU 40 HG3 GLU 40 10.862 -7.036 -4.687 309 H GLN 41 H GLN 41 7.042 -5.000 -4.379 310 HA GLN 41 HA GLN 41 6.064 -2.522 -5.377 311 HB2 GLN 41 HB2 GLN 41 4.708 -4.704 -3.732 312 HB3 GLN 41 HB3 GLN 41 3.842 -3.272 -4.276 313 HG2 GLN 41 HG2 GLN 41 5.193 -5.268 -6.110 314 HG3 GLN 41 HG3 GLN 41 3.477 -5.276 -5.708 315 HE21 GLN 41 HE21 GLN 41 2.149 -3.597 -6.545 316 HE22 GLN 41 HE22 GLN 41 2.645 -2.635 -7.887 317 H LYS 42 H LYS 42 6.548 -3.789 -2.103 318 HA LYS 42 HA LYS 42 5.432 -1.695 -0.616 319 HB2 LYS 42 HB2 LYS 42 7.590 -3.715 0.133 320 HB3 LYS 42 HB3 LYS 42 6.905 -2.571 1.289 321 HG2 LYS 42 HG2 LYS 42 4.662 -3.538 0.917 322 HG3 LYS 42 HG3 LYS 42 5.356 -4.711 -0.211 323 HD2 LYS 42 HD2 LYS 42 6.680 -5.718 1.590 324 HD3 LYS 42 HD3 LYS 42 6.145 -4.474 2.725 325 HE2 LYS 42 HE2 LYS 42 3.836 -5.295 2.545 326 HE3 LYS 42 HE3 LYS 42 4.349 -6.520 1.389 327 HZ1 LYS 42 HZ1 LYS 42 5.263 -6.332 4.210 328 HZ2 LYS 42 HZ2 LYS 42 5.712 -7.529 3.106 329 HZ3 LYS 42 HZ3 LYS 42 4.110 -7.411 3.623 330 H ASN 43 H ASN 43 8.734 -2.212 -1.782 331 HA ASN 43 HA ASN 43 10.077 -0.109 -0.525 332 HB2 ASN 43 HB2 ASN 43 10.569 -1.346 -3.288 333 HB3 ASN 43 HB3 ASN 43 11.674 -0.206 -2.527 334 HD21 ASN 43 HD21 ASN 43 12.029 -3.000 -3.366 335 HD22 ASN 43 HD22 ASN 43 12.636 -3.809 -1.970 336 H GLU 44 H GLU 44 8.411 -0.236 -3.664 337 HA GLU 44 HA GLU 44 8.877 2.389 -4.538 338 HB2 GLU 44 HB2 GLU 44 6.641 0.436 -5.218 339 HB3 GLU 44 HB3 GLU 44 6.824 1.999 -6.013 340 HG2 GLU 44 HG2 GLU 44 9.108 1.304 -6.738 341 HG3 GLU 44 HG3 GLU 44 8.787 -0.305 -6.083 342 H PHE 45 H PHE 45 6.013 1.010 -2.888 343 HA PHE 45 HA PHE 45 4.515 3.388 -2.962 344 HB2 PHE 45 HB2 PHE 45 4.201 0.868 -1.291 345 HB3 PHE 45 HB3 PHE 45 3.094 2.230 -1.140 346 HD1 PHE 45 HD1 PHE 45 2.198 3.145 -3.537 347 HD2 PHE 45 HD2 PHE 45 3.501 -0.854 -2.748 348 HE1 PHE 45 HE1 PHE 45 0.864 2.326 -5.433 349 HE2 PHE 45 HE2 PHE 45 2.168 -1.662 -4.648 350 HZ PHE 45 HZ PHE 45 0.848 -0.073 -5.992 351 H LYS 46 H LYS 46 6.671 2.112 -0.410 352 HA LYS 46 HA LYS 46 6.104 4.032 1.589 353 HB2 LYS 46 HB2 LYS 46 8.753 2.646 1.014 354 HB3 LYS 46 HB3 LYS 46 8.371 3.527 2.496 355 HG2 LYS 46 HG2 LYS 46 6.684 1.904 3.100 356 HG3 LYS 46 HG3 LYS 46 6.866 1.076 1.547 357 HD2 LYS 46 HD2 LYS 46 9.322 0.680 2.202 358 HD3 LYS 46 HD3 LYS 46 8.876 1.227 3.824 359 HE2 LYS 46 HE2 LYS 46 7.113 -0.578 3.819 360 HE3 LYS 46 HE3 LYS 46 7.814 -1.172 2.321 361 HZ1 LYS 46 HZ1 LYS 46 9.419 -0.838 4.786 362 HZ2 LYS 46 HZ2 LYS 46 9.793 -1.733 3.403 363 HZ3 LYS 46 HZ3 LYS 46 8.573 -2.259 4.443 364 H THR 47 H THR 47 8.601 3.990 -0.964 365 HA THR 47 HA THR 47 9.869 6.431 -0.429 366 HB THR 47 HB THR 47 9.499 5.066 -3.139 367 HG1 THR 47 HG1 THR 47 10.798 3.643 -2.288 368 HG21 THR 47 HG21 THR 47 11.613 7.092 -2.309 369 HG22 THR 47 HG22 THR 47 10.284 7.403 -3.435 370 HG23 THR 47 HG23 THR 47 11.555 6.244 -3.845 371 H LYS 48 H LYS 48 7.251 5.697 -2.723 372 HA LYS 48 HA LYS 48 6.888 8.245 -3.809 373 HB2 LYS 48 HB2 LYS 48 4.972 5.879 -3.577 374 HB3 LYS 48 HB3 LYS 48 4.647 7.305 -4.565 375 HG2 LYS 48 HG2 LYS 48 6.474 6.833 -6.035 376 HG3 LYS 48 HG3 LYS 48 7.136 5.607 -4.948 377 HD2 LYS 48 HD2 LYS 48 5.156 4.163 -5.394 378 HD3 LYS 48 HD3 LYS 48 4.526 5.385 -6.509 379 HE2 LYS 48 HE2 LYS 48 6.485 5.104 -7.954 380 HE3 LYS 48 HE3 LYS 48 7.185 3.951 -6.816 381 HZ1 LYS 48 HZ1 LYS 48 4.722 3.589 -8.432 382 HZ2 LYS 48 HZ2 LYS 48 5.215 2.520 -7.222 383 HZ3 LYS 48 HZ3 LYS 48 6.182 2.750 -8.592 384 H ILE 49 H ILE 49 5.203 6.636 -1.100 385 HA ILE 49 HA ILE 49 3.322 8.700 -0.572 386 HB ILE 49 HB ILE 49 4.302 6.372 1.139 387 HG12 ILE 49 HG12 ILE 49 1.594 6.825 -0.203 388 HG13 ILE 49 HG13 ILE 49 2.903 5.912 -0.939 389 HG21 ILE 49 HG21 ILE 49 3.583 8.165 2.686 390 HG22 ILE 49 HG22 ILE 49 2.469 6.795 2.723 391 HG23 ILE 49 HG23 ILE 49 2.032 8.261 1.846 392 HD11 ILE 49 HD11 ILE 49 1.462 5.186 1.610 393 HD12 ILE 49 HD12 ILE 49 2.781 4.274 0.872 394 HD13 ILE 49 HD13 ILE 49 1.245 4.445 0.026 395 H ASP 50 H ASP 50 6.635 8.123 0.649 396 HA ASP 50 HA ASP 50 6.592 10.261 2.567 397 HB2 ASP 50 HB2 ASP 50 8.870 8.722 1.289 398 HB3 ASP 50 HB3 ASP 50 9.189 10.095 2.344 399 H GLU 51 H GLU 51 7.606 10.031 -0.817 400 HA GLU 51 HA GLU 51 8.723 12.683 -0.934 401 HB2 GLU 51 HB2 GLU 51 7.990 10.816 -3.236 402 HB3 GLU 51 HB3 GLU 51 9.000 12.253 -3.351 403 HG2 GLU 51 HG2 GLU 51 9.648 9.648 -1.963 404 HG3 GLU 51 HG3 GLU 51 10.419 10.315 -3.391 405 H THR 52 H THR 52 5.563 11.418 -1.157 406 HA THR 52 HA THR 52 4.487 13.755 -2.598 407 HB THR 52 HB THR 52 3.128 11.147 -1.764 408 HG1 THR 52 HG1 THR 52 4.750 11.135 -3.515 409 HG21 THR 52 HG21 THR 52 2.066 13.400 -3.520 410 HG22 THR 52 HG22 THR 52 1.487 12.997 -1.899 411 HG23 THR 52 HG23 THR 52 1.271 11.855 -3.227 412 H ASN 53 H ASN 53 3.990 15.417 -1.334 413 HA ASN 53 HA ASN 53 2.756 15.023 1.341 414 HB2 ASN 53 HB2 ASN 53 4.201 17.446 0.183 415 HB3 ASN 53 HB3 ASN 53 3.424 17.404 1.765 416 HD21 ASN 53 HD21 ASN 53 6.247 17.830 1.012 417 HD22 ASN 53 HD22 ASN 53 7.150 16.646 1.887 418 H ASP 54 H ASP 54 1.661 15.017 -1.538 419 HA ASP 54 HA ASP 54 -0.556 16.955 -1.245 420 HB2 ASP 54 HB2 ASP 54 0.632 16.746 -3.481 421 HB3 ASP 54 HB3 ASP 54 0.124 15.064 -3.564 422 H SER 55 H SER 55 -2.441 16.206 -0.351 423 HA SER 55 HA SER 55 -2.559 13.593 0.759 424 HB2 SER 55 HB2 SER 55 -4.769 14.303 1.649 425 HB3 SER 55 HB3 SER 55 -3.523 15.521 1.924 426 HG SER 55 HG SER 55 -5.725 15.576 0.208 427 H ASP 56 H ASP 56 -4.016 15.013 -2.136 428 HA ASP 56 HA ASP 56 -5.987 12.947 -2.559 429 HB2 ASP 56 HB2 ASP 56 -4.876 15.012 -4.512 430 HB3 ASP 56 HB3 ASP 56 -6.279 13.990 -4.818 431 H ALA 57 H ALA 57 -2.703 13.561 -3.649 432 HA ALA 57 HA ALA 57 -2.543 11.332 -5.472 433 HB1 ALA 57 HB1 ALA 57 -0.135 11.874 -5.588 434 HB2 ALA 57 HB2 ALA 57 -0.332 13.036 -4.271 435 HB3 ALA 57 HB3 ALA 57 -1.135 13.309 -5.816 436 H LEU 58 H LEU 58 -1.915 11.871 -2.037 437 HA LEU 58 HA LEU 58 -0.708 9.339 -1.499 438 HB2 LEU 58 HB2 LEU 58 -2.187 11.304 0.294 439 HB3 LEU 58 HB3 LEU 58 -1.559 9.783 0.906 440 HG LEU 58 HG LEU 58 0.082 12.089 -0.216 441 HD11 LEU 58 HD11 LEU 58 -0.072 10.940 2.594 442 HD12 LEU 58 HD12 LEU 58 -0.754 12.478 2.057 443 HD13 LEU 58 HD13 LEU 58 0.993 12.250 2.060 444 HD21 LEU 58 HD21 LEU 58 1.084 9.975 -0.904 445 HD22 LEU 58 HD22 LEU 58 1.030 9.376 0.756 446 HD23 LEU 58 HD23 LEU 58 2.066 10.746 0.339 447 H LEU 59 H LEU 59 -4.071 10.474 -1.633 448 HA LEU 59 HA LEU 59 -5.379 8.090 -0.843 449 HB2 LEU 59 HB2 LEU 59 -6.287 10.313 -2.719 450 HB3 LEU 59 HB3 LEU 59 -7.336 8.992 -2.229 451 HG LEU 59 HG LEU 59 -6.128 11.051 -0.340 452 HD11 LEU 59 HD11 LEU 59 -7.795 12.063 -1.806 453 HD12 LEU 59 HD12 LEU 59 -8.398 11.956 -0.155 454 HD13 LEU 59 HD13 LEU 59 -8.971 10.817 -1.378 455 HD21 LEU 59 HD21 LEU 59 -6.467 8.898 0.774 456 HD22 LEU 59 HD22 LEU 59 -8.144 8.847 0.219 457 HD23 LEU 59 HD23 LEU 59 -7.623 10.095 1.355 458 H GLU 60 H GLU 60 -4.081 9.178 -3.928 459 HA GLU 60 HA GLU 60 -5.168 7.133 -5.589 460 HB2 GLU 60 HB2 GLU 60 -4.288 9.359 -6.388 461 HB3 GLU 60 HB3 GLU 60 -2.654 8.812 -6.017 462 HG2 GLU 60 HG2 GLU 60 -2.957 6.949 -7.655 463 HG3 GLU 60 HG3 GLU 60 -4.535 7.615 -8.072 464 H LEU 61 H LEU 61 -1.956 7.568 -4.059 465 HA LEU 61 HA LEU 61 -0.784 5.103 -4.803 466 HB2 LEU 61 HB2 LEU 61 -0.234 6.906 -2.410 467 HB3 LEU 61 HB3 LEU 61 0.802 5.565 -2.881 468 HG LEU 61 HG LEU 61 0.238 7.981 -4.648 469 HD11 LEU 61 HD11 LEU 61 1.464 8.687 -2.657 470 HD12 LEU 61 HD12 LEU 61 2.483 8.771 -4.090 471 HD13 LEU 61 HD13 LEU 61 2.688 7.445 -2.942 472 HD21 LEU 61 HD21 LEU 61 2.136 7.165 -5.988 473 HD22 LEU 61 HD22 LEU 61 0.817 6.000 -5.941 474 HD23 LEU 61 HD23 LEU 61 2.260 5.736 -4.956 475 H GLU 62 H GLU 62 -2.859 6.036 -2.132 476 HA GLU 62 HA GLU 62 -2.722 3.706 -0.547 477 HB2 GLU 62 HB2 GLU 62 -3.591 5.822 0.330 478 HB3 GLU 62 HB3 GLU 62 -4.923 5.801 -0.810 479 HG2 GLU 62 HG2 GLU 62 -4.679 3.507 1.117 480 HG3 GLU 62 HG3 GLU 62 -5.207 5.058 1.755 481 H ASN 63 H ASN 63 -4.934 4.720 -3.119 482 HA ASN 63 HA ASN 63 -6.596 2.448 -3.180 483 HB2 ASN 63 HB2 ASN 63 -7.316 4.527 -4.219 484 HB3 ASN 63 HB3 ASN 63 -5.952 4.516 -5.332 485 HD21 ASN 63 HD21 ASN 63 -6.086 3.276 -7.192 486 HD22 ASN 63 HD22 ASN 63 -7.518 2.453 -7.685 487 H GLN 64 H GLN 64 -3.553 3.195 -4.851 488 HA GLN 64 HA GLN 64 -3.565 0.957 -6.598 489 HB2 GLN 64 HB2 GLN 64 -1.602 3.097 -5.922 490 HB3 GLN 64 HB3 GLN 64 -0.883 1.602 -6.498 491 HG2 GLN 64 HG2 GLN 64 -1.261 3.258 -8.303 492 HG3 GLN 64 HG3 GLN 64 -2.086 1.727 -8.575 493 HE21 GLN 64 HE21 GLN 64 -2.468 5.091 -7.895 494 HE22 GLN 64 HE22 GLN 64 -4.166 5.181 -8.200 495 H PHE 65 H PHE 65 -2.148 1.333 -3.300 496 HA PHE 65 HA PHE 65 -0.750 -1.187 -3.570 497 HB2 PHE 65 HB2 PHE 65 0.163 -0.905 -1.441 498 HB3 PHE 65 HB3 PHE 65 0.000 0.736 -2.021 499 HD1 PHE 65 HD1 PHE 65 -1.240 2.341 -0.742 500 HD2 PHE 65 HD2 PHE 65 -1.480 -1.796 0.311 501 HE1 PHE 65 HE1 PHE 65 -2.371 2.930 1.363 502 HE2 PHE 65 HE2 PHE 65 -2.624 -1.192 2.393 503 HZ PHE 65 HZ PHE 65 -3.066 1.171 2.917 504 H ASN 66 H ASN 66 -3.835 -0.162 -2.129 505 HA ASN 66 HA ASN 66 -4.538 -2.752 -1.112 506 HB2 ASN 66 HB2 ASN 66 -6.281 -0.322 -1.721 507 HB3 ASN 66 HB3 ASN 66 -6.926 -1.819 -1.055 508 HD21 ASN 66 HD21 ASN 66 -5.498 1.158 -0.293 509 HD22 ASN 66 HD22 ASN 66 -5.224 0.869 1.384 510 H GLU 67 H GLU 67 -4.837 -1.205 -4.247 511 HA GLU 67 HA GLU 67 -6.705 -3.004 -5.430 512 HB2 GLU 67 HB2 GLU 67 -6.200 -0.766 -6.403 513 HB3 GLU 67 HB3 GLU 67 -4.556 -1.288 -6.755 514 HG2 GLU 67 HG2 GLU 67 -5.911 -1.308 -8.778 515 HG3 GLU 67 HG3 GLU 67 -5.412 -2.946 -8.363 516 H THR 68 H THR 68 -3.153 -2.766 -5.538 517 HA THR 68 HA THR 68 -2.551 -5.090 -6.990 518 HB THR 68 HB THR 68 -0.860 -3.699 -4.846 519 HG1 THR 68 HG1 THR 68 -1.532 -2.448 -6.763 520 HG21 THR 68 HG21 THR 68 -0.002 -5.647 -7.030 521 HG22 THR 68 HG22 THR 68 0.027 -5.960 -5.293 522 HG23 THR 68 HG23 THR 68 1.101 -4.743 -5.987 523 H ASN 69 H ASN 69 -2.910 -4.497 -3.528 524 HA ASN 69 HA ASN 69 -2.218 -6.984 -2.476 525 HB2 ASN 69 HB2 ASN 69 -2.424 -5.064 -1.021 526 HB3 ASN 69 HB3 ASN 69 -4.114 -4.832 -1.458 527 HD21 ASN 69 HD21 ASN 69 -1.952 -7.251 0.006 528 HD22 ASN 69 HD22 ASN 69 -3.084 -7.793 1.197 529 H ARG 70 H ARG 70 -5.409 -5.767 -3.497 530 HA ARG 70 HA ARG 70 -6.959 -7.997 -2.746 531 HB2 ARG 70 HB2 ARG 70 -7.926 -5.797 -3.213 532 HB3 ARG 70 HB3 ARG 70 -7.424 -5.891 -4.898 533 HG2 ARG 70 HG2 ARG 70 -9.056 -7.553 -5.410 534 HG3 ARG 70 HG3 ARG 70 -9.347 -7.911 -3.705 535 HD2 ARG 70 HD2 ARG 70 -10.080 -5.333 -5.135 536 HD3 ARG 70 HD3 ARG 70 -11.202 -6.615 -4.652 537 HE ARG 70 HE ARG 70 -9.962 -5.940 -2.326 538 HH11 ARG 70 HH11 ARG 70 -11.741 -4.040 -4.709 539 HH12 ARG 70 HH12 ARG 70 -12.280 -2.871 -3.546 540 HH21 ARG 70 HH21 ARG 70 -10.670 -4.420 -0.820 541 HH22 ARG 70 HH22 ARG 70 -11.666 -3.090 -1.325 542 H LEU 71 H LEU 71 -5.365 -7.151 -5.821 543 HA LEU 71 HA LEU 71 -6.230 -9.369 -7.355 544 HB2 LEU 71 HB2 LEU 71 -3.725 -7.668 -7.648 545 HB3 LEU 71 HB3 LEU 71 -4.297 -8.808 -8.862 546 HG LEU 71 HG LEU 71 -5.767 -6.302 -7.951 547 HD11 LEU 71 HD11 LEU 71 -5.260 -5.412 -10.175 548 HD12 LEU 71 HD12 LEU 71 -4.330 -6.862 -10.566 549 HD13 LEU 71 HD13 LEU 71 -3.783 -5.777 -9.284 550 HD21 LEU 71 HD21 LEU 71 -7.347 -8.071 -8.550 551 HD22 LEU 71 HD22 LEU 71 -6.532 -8.312 -10.098 552 HD23 LEU 71 HD23 LEU 71 -7.361 -6.790 -9.762 553 H LEU 72 H LEU 72 -3.468 -8.899 -5.198 554 HA LEU 72 HA LEU 72 -2.093 -11.325 -5.729 555 HB2 LEU 72 HB2 LEU 72 -2.184 -9.625 -3.214 556 HB3 LEU 72 HB3 LEU 72 -1.072 -10.968 -3.444 557 HG LEU 72 HG LEU 72 -1.110 -8.524 -5.241 558 HD11 LEU 72 HD11 LEU 72 0.768 -7.669 -3.977 559 HD12 LEU 72 HD12 LEU 72 0.696 -9.046 -2.872 560 HD13 LEU 72 HD13 LEU 72 -0.632 -7.881 -2.919 561 HD21 LEU 72 HD21 LEU 72 -0.113 -10.506 -6.273 562 HD22 LEU 72 HD22 LEU 72 0.962 -10.716 -4.887 563 HD23 LEU 72 HD23 LEU 72 1.121 -9.296 -5.923 564 H HIS 73 H HIS 73 -4.678 -10.453 -3.430 565 HA HIS 73 HA HIS 73 -4.727 -12.897 -1.982 566 HB2 HIS 73 HB2 HIS 73 -6.903 -10.787 -2.388 567 HB3 HIS 73 HB3 HIS 73 -7.110 -12.188 -1.340 568 HD1 HIS 73 HD1 HIS 73 -4.851 -12.330 0.438 569 HD2 HIS 73 HD2 HIS 73 -6.191 -8.642 -0.890 570 HE1 HIS 73 HE1 HIS 73 -4.030 -10.656 2.113 571 HE2 HIS 73 HE2 HIS 73 -5.170 -8.508 1.461 572 H ILE 74 H ILE 74 -6.484 -11.780 -4.843 573 HA ILE 74 HA ILE 74 -8.229 -13.993 -5.176 574 HB ILE 74 HB ILE 74 -7.200 -11.972 -7.233 575 HG12 ILE 74 HG12 ILE 74 -9.852 -11.984 -5.706 576 HG13 ILE 74 HG13 ILE 74 -8.462 -10.995 -5.284 577 HG21 ILE 74 HG21 ILE 74 -8.054 -13.960 -8.396 578 HG22 ILE 74 HG22 ILE 74 -9.144 -12.596 -8.637 579 HG23 ILE 74 HG23 ILE 74 -9.566 -13.868 -7.490 580 HD11 ILE 74 HD11 ILE 74 -8.639 -9.823 -7.425 581 HD12 ILE 74 HD12 ILE 74 -10.110 -9.693 -6.464 582 HD13 ILE 74 HD13 ILE 74 -10.055 -10.796 -7.840 583 H LYS 75 H LYS 75 -5.077 -13.203 -6.631 584 HA LYS 75 HA LYS 75 -4.788 -15.472 -8.300 585 HB2 LYS 75 HB2 LYS 75 -3.559 -13.392 -8.681 586 HB3 LYS 75 HB3 LYS 75 -2.751 -13.515 -7.131 587 HG2 LYS 75 HG2 LYS 75 -2.328 -15.701 -9.162 588 HG3 LYS 75 HG3 LYS 75 -1.518 -14.155 -9.407 589 HD2 LYS 75 HD2 LYS 75 -0.447 -14.381 -7.169 590 HD3 LYS 75 HD3 LYS 75 -1.256 -15.935 -6.947 591 HE2 LYS 75 HE2 LYS 75 -0.026 -16.882 -8.830 592 HE3 LYS 75 HE3 LYS 75 0.727 -15.316 -9.161 593 HZ1 LYS 75 HZ1 LYS 75 1.774 -15.412 -6.978 594 HZ2 LYS 75 HZ2 LYS 75 2.218 -16.739 -7.921 595 HZ3 LYS 75 HZ3 LYS 75 1.083 -16.922 -6.686 596 H GLN 76 H GLN 76 -3.681 -14.755 -5.003 597 HA GLN 76 HA GLN 76 -2.110 -17.111 -4.621 598 HB2 GLN 76 HB2 GLN 76 -1.766 -14.968 -3.366 599 HB3 GLN 76 HB3 GLN 76 -3.296 -15.222 -2.534 600 HG2 GLN 76 HG2 GLN 76 -2.390 -17.264 -1.492 601 HG3 GLN 76 HG3 GLN 76 -0.863 -17.017 -2.344 602 HE21 GLN 76 HE21 GLN 76 0.469 -15.237 -1.724 603 HE22 GLN 76 HE22 GLN 76 0.291 -14.483 -0.182 604 H HIS 77 H HIS 77 -5.469 -16.219 -3.991 605 HA HIS 77 HA HIS 77 -6.297 -18.331 -2.347 606 HB2 HIS 77 HB2 HIS 77 -7.729 -16.367 -2.804 607 HB3 HIS 77 HB3 HIS 77 -7.901 -16.857 -4.488 608 HD1 HIS 77 HD1 HIS 77 -8.955 -17.864 -0.997 609 HD2 HIS 77 HD2 HIS 77 -9.920 -18.708 -4.952 610 HE1 HIS 77 HE1 HIS 77 -11.052 -19.247 -0.903 611 HE2 HIS 77 HE2 HIS 77 -11.475 -19.920 -3.293 612 H GLU 78 H GLU 78 -6.175 -18.084 -5.882 613 HA GLU 78 HA GLU 78 -7.222 -20.585 -6.590 614 HB2 GLU 78 HB2 GLU 78 -5.101 -18.905 -7.989 615 HB3 GLU 78 HB3 GLU 78 -5.955 -20.254 -8.735 616 HG2 GLU 78 HG2 GLU 78 -7.218 -17.679 -7.747 617 HG3 GLU 78 HG3 GLU 78 -6.872 -18.080 -9.427 618 H GLU 79 H GLU 79 -3.882 -19.582 -5.955 619 HA GLU 79 HA GLU 79 -2.575 -22.029 -6.418 620 HB2 GLU 79 HB2 GLU 79 -1.795 -19.700 -4.617 621 HB3 GLU 79 HB3 GLU 79 -0.706 -20.997 -5.101 622 HG2 GLU 79 HG2 GLU 79 -2.057 -19.072 -7.017 623 HG3 GLU 79 HG3 GLU 79 -0.417 -18.883 -6.407 624 H VAL 80 H VAL 80 -4.109 -20.706 -3.497 625 HA VAL 80 HA VAL 80 -3.276 -22.694 -1.651 626 HB VAL 80 HB VAL 80 -5.711 -20.841 -1.587 627 HG11 VAL 80 HG11 VAL 80 -4.626 -22.543 0.689 628 HG12 VAL 80 HG12 VAL 80 -6.165 -22.776 -0.143 629 HG13 VAL 80 HG13 VAL 80 -5.901 -21.329 0.830 630 HG21 VAL 80 HG21 VAL 80 -3.554 -19.649 -1.533 631 HG22 VAL 80 HG22 VAL 80 -3.034 -20.615 -0.155 632 HG23 VAL 80 HG23 VAL 80 -4.387 -19.493 0.013 633 H GLU 81 H GLU 81 -6.153 -22.409 -3.780 634 HA GLU 81 HA GLU 81 -7.595 -24.572 -2.621 635 HB2 GLU 81 HB2 GLU 81 -8.001 -23.460 -5.432 636 HB3 GLU 81 HB3 GLU 81 -9.146 -24.423 -4.506 637 HG2 GLU 81 HG2 GLU 81 -8.328 -21.556 -4.077 638 HG3 GLU 81 HG3 GLU 81 -9.930 -22.199 -4.401 639 H LYS 82 H LYS 82 -5.428 -24.411 -5.453 640 HA LYS 82 HA LYS 82 -6.068 -27.020 -6.427 641 HB2 LYS 82 HB2 LYS 82 -4.299 -26.779 -8.014 642 HB3 LYS 82 HB3 LYS 82 -5.046 -25.197 -7.844 643 HG2 LYS 82 HG2 LYS 82 -3.172 -24.396 -6.499 644 HG3 LYS 82 HG3 LYS 82 -2.461 -26.014 -6.469 645 HD2 LYS 82 HD2 LYS 82 -2.314 -25.857 -9.028 646 HD3 LYS 82 HD3 LYS 82 -2.729 -24.149 -8.855 647 HE2 LYS 82 HE2 LYS 82 -0.302 -25.545 -7.689 648 HE3 LYS 82 HE3 LYS 82 -0.308 -24.402 -9.032 649 HZ1 LYS 82 HZ1 LYS 82 0.380 -23.275 -7.071 650 HZ2 LYS 82 HZ2 LYS 82 -0.954 -23.830 -6.191 651 HZ3 LYS 82 HZ3 LYS 82 -1.172 -22.724 -7.454 652 H ASP 83 H ASP 83 -3.514 -25.776 -4.337 653 HA ASP 83 HA ASP 83 -2.147 -28.294 -4.023 654 HB2 ASP 83 HB2 ASP 83 -1.868 -25.585 -2.655 655 HB3 ASP 83 HB3 ASP 83 -0.892 -26.975 -2.193 656 H LYS 84 H LYS 84 -4.747 -26.633 -2.426 657 HA LYS 84 HA LYS 84 -4.805 -27.987 0.067 658 HB2 LYS 84 HB2 LYS 84 -6.055 -25.894 -0.456 659 HB3 LYS 84 HB3 LYS 84 -7.099 -26.788 -1.555 660 HG2 LYS 84 HG2 LYS 84 -7.893 -28.140 0.409 661 HG3 LYS 84 HG3 LYS 84 -6.929 -27.099 1.461 662 HD2 LYS 84 HD2 LYS 84 -9.246 -26.225 -0.312 663 HD3 LYS 84 HD3 LYS 84 -9.272 -26.365 1.445 664 HE2 LYS 84 HE2 LYS 84 -7.625 -24.552 1.632 665 HE3 LYS 84 HE3 LYS 84 -7.525 -24.435 -0.128 666 HZ1 LYS 84 HZ1 LYS 84 -9.950 -23.893 1.510 667 HZ2 LYS 84 HZ2 LYS 84 -9.866 -23.811 -0.175 668 HZ3 LYS 84 HZ3 LYS 84 -8.969 -22.736 0.765 669 H LYS 85 H LYS 85 -6.427 -28.610 -3.043 670 HA LYS 85 HA LYS 85 -7.643 -31.096 -2.125 671 HB2 LYS 85 HB2 LYS 85 -7.651 -29.735 -4.841 672 HB3 LYS 85 HB3 LYS 85 -8.601 -31.160 -4.429 673 HG2 LYS 85 HG2 LYS 85 -9.878 -29.865 -2.776 674 HG3 LYS 85 HG3 LYS 85 -8.903 -28.430 -3.118 675 HD2 LYS 85 HD2 LYS 85 -10.728 -29.866 -5.095 676 HD3 LYS 85 HD3 LYS 85 -11.071 -28.327 -4.297 677 HE2 LYS 85 HE2 LYS 85 -9.230 -27.251 -5.466 678 HE3 LYS 85 HE3 LYS 85 -8.713 -28.791 -6.157 679 HZ1 LYS 85 HZ1 LYS 85 -10.756 -28.899 -7.410 680 HZ2 LYS 85 HZ2 LYS 85 -9.972 -27.436 -7.734 681 HZ3 LYS 85 HZ3 LYS 85 -11.312 -27.470 -6.710 682 H ALA 86 H ALA 86 -4.568 -30.596 -2.694 683 HA ALA 86 HA ALA 86 -3.941 -32.599 -4.701 684 HB1 ALA 86 HB1 ALA 86 -2.107 -31.024 -2.857 685 HB2 ALA 86 HB2 ALA 86 -2.561 -30.564 -4.498 686 HB3 ALA 86 HB3 ALA 86 -1.594 -32.014 -4.228 687 H LYS 87 H LYS 87 -5.377 -34.042 -3.173 688 HA LYS 87 HA LYS 87 -5.619 -35.914 -1.954 689 HB2 LYS 87 HB2 LYS 87 -4.033 -36.809 -3.594 690 HB3 LYS 87 HB3 LYS 87 -2.671 -36.254 -2.628 691 HG2 LYS 87 HG2 LYS 87 -3.435 -37.834 -0.796 692 HG3 LYS 87 HG3 LYS 87 -4.630 -38.471 -1.930 693 HD2 LYS 87 HD2 LYS 87 -2.867 -39.255 -3.429 694 HD3 LYS 87 HD3 LYS 87 -1.627 -38.464 -2.449 695 HE2 LYS 87 HE2 LYS 87 -2.253 -39.979 -0.548 696 HE3 LYS 87 HE3 LYS 87 -3.349 -40.831 -1.641 697 HZ1 LYS 87 HZ1 LYS 87 -1.408 -41.299 -3.068 698 HZ2 LYS 87 HZ2 LYS 87 -1.275 -41.986 -1.535 699 HZ3 LYS 87 HZ3 LYS 87 -0.403 -40.589 -1.913 700 H GLN 88 H GLN 88 -6.135 -34.951 0.023 701 HA GLN 88 HA GLN 88 -6.118 -34.784 2.280 702 HB2 GLN 88 HB2 GLN 88 -3.691 -36.613 2.086 703 HB3 GLN 88 HB3 GLN 88 -4.600 -36.305 3.565 704 HG2 GLN 88 HG2 GLN 88 -6.585 -37.369 2.621 705 HG3 GLN 88 HG3 GLN 88 -5.782 -37.555 1.060 706 HE21 GLN 88 HE21 GLN 88 -6.016 -39.780 1.013 707 HE22 GLN 88 HE22 GLN 88 -5.146 -40.844 2.062 708 H GLN 89 H GLN 89 -4.159 -33.113 0.513 709 HA GLN 89 HA GLN 89 -2.378 -31.923 2.509 710 HB2 GLN 89 HB2 GLN 89 -1.702 -32.370 0.077 711 HB3 GLN 89 HB3 GLN 89 -2.853 -31.139 -0.414 712 HG2 GLN 89 HG2 GLN 89 -0.650 -30.174 -0.459 713 HG3 GLN 89 HG3 GLN 89 -1.527 -29.447 0.882 714 HE21 GLN 89 HE21 GLN 89 1.133 -31.518 -0.025 715 HE22 GLN 89 HE22 GLN 89 1.863 -31.606 1.538 716 H LYS 90 H LYS 90 -5.526 -31.849 2.259 717 HA LYS 90 HA LYS 90 -6.248 -29.093 2.098 718 HB2 LYS 90 HB2 LYS 90 -7.814 -30.982 1.571 719 HB3 LYS 90 HB3 LYS 90 -7.821 -31.428 3.274 720 HG2 LYS 90 HG2 LYS 90 -8.906 -29.335 3.874 721 HG3 LYS 90 HG3 LYS 90 -8.753 -28.737 2.222 722 HD2 LYS 90 HD2 LYS 90 -10.248 -30.665 1.484 723 HD3 LYS 90 HD3 LYS 90 -10.520 -31.020 3.193 724 HE2 LYS 90 HE2 LYS 90 -11.496 -28.782 3.517 725 HE3 LYS 90 HE3 LYS 90 -11.182 -28.384 1.824 726 HZ1 LYS 90 HZ1 LYS 90 -12.685 -30.163 1.167 727 HZ2 LYS 90 HZ2 LYS 90 -13.478 -29.055 2.165 728 HZ3 LYS 90 HZ3 LYS 90 -12.985 -30.547 2.786 729 H THR 91 H THR 91 -4.733 -28.206 3.458 730 HA THR 91 HA THR 91 -5.048 -28.574 6.370 731 HB THR 91 HB THR 91 -2.615 -27.759 6.451 732 HG1 THR 91 HG1 THR 91 -2.573 -28.506 3.695 733 HG21 THR 91 HG21 THR 91 -3.118 -30.404 5.016 734 HG22 THR 91 HG22 THR 91 -3.152 -30.159 6.765 735 HG23 THR 91 HG23 THR 91 -1.639 -29.964 5.879 736 H LEU 92 H LEU 92 -6.691 -27.045 6.429 737 HA LEU 92 HA LEU 92 -5.790 -24.255 6.498 738 HB2 LEU 92 HB2 LEU 92 -6.806 -24.591 4.222 739 HB3 LEU 92 HB3 LEU 92 -8.311 -25.095 4.979 740 HG LEU 92 HG LEU 92 -8.575 -22.823 5.974 741 HD11 LEU 92 HD11 LEU 92 -6.047 -22.100 4.474 742 HD12 LEU 92 HD12 LEU 92 -6.248 -22.184 6.227 743 HD13 LEU 92 HD13 LEU 92 -7.122 -20.968 5.301 744 HD21 LEU 92 HD21 LEU 92 -8.157 -22.773 2.970 745 HD22 LEU 92 HD22 LEU 92 -9.101 -21.609 3.905 746 HD23 LEU 92 HD23 LEU 92 -9.618 -23.291 3.815 747 H LYS 93 H LYS 93 -6.119 -23.829 8.540 748 HA LYS 93 HA LYS 93 -8.373 -24.929 10.085 749 HB2 LYS 93 HB2 LYS 93 -5.898 -25.100 10.813 750 HB3 LYS 93 HB3 LYS 93 -5.952 -23.366 11.106 751 HG2 LYS 93 HG2 LYS 93 -7.674 -23.693 12.838 752 HG3 LYS 93 HG3 LYS 93 -7.700 -25.431 12.502 753 HD2 LYS 93 HD2 LYS 93 -5.222 -25.488 13.116 754 HD3 LYS 93 HD3 LYS 93 -5.386 -23.810 13.644 755 HE2 LYS 93 HE2 LYS 93 -6.912 -26.175 14.786 756 HE3 LYS 93 HE3 LYS 93 -5.515 -25.400 15.528 757 HZ1 LYS 93 HZ1 LYS 93 -6.803 -23.346 15.668 758 HZ2 LYS 93 HZ2 LYS 93 -7.538 -24.601 16.522 759 HZ3 LYS 93 HZ3 LYS 93 -8.143 -24.135 15.018 760 H GLN 94 H GLN 94 -9.612 -23.440 11.492 761 HA GLN 94 HA GLN 94 -10.442 -21.053 10.134 762 HB2 GLN 94 HB2 GLN 94 -12.024 -22.474 11.403 763 HB3 GLN 94 HB3 GLN 94 -11.175 -22.104 12.897 764 HG2 GLN 94 HG2 GLN 94 -11.838 -19.720 12.678 765 HG3 GLN 94 HG3 GLN 94 -12.710 -20.106 11.193 766 HE21 GLN 94 HE21 GLN 94 -13.726 -19.005 13.728 767 HE22 GLN 94 HE22 GLN 94 -14.958 -20.094 14.257 768 H SER 95 H SER 95 -9.311 -19.238 10.161 769 HA SER 95 HA SER 95 -7.162 -18.712 11.977 770 HB2 SER 95 HB2 SER 95 -7.007 -18.127 9.586 771 HB3 SER 95 HB3 SER 95 -8.326 -16.973 9.760 772 HG SER 95 HG SER 95 -6.288 -16.554 11.554 773 H ASP 96 H ASP 96 -10.473 -17.594 11.772 774 HA ASP 96 HA ASP 96 -10.030 -15.732 14.050 775 HB2 ASP 96 HB2 ASP 96 -10.465 -14.474 11.918 776 HB3 ASP 96 HB3 ASP 96 -11.995 -15.328 11.734 777 H THR 97 H THR 97 -10.848 -16.762 15.745 778 HA THR 97 HA THR 97 -13.277 -18.433 15.528 779 HB THR 97 HB THR 97 -12.462 -19.371 17.752 780 HG1 THR 97 HG1 THR 97 -9.880 -18.558 17.451 781 HG21 THR 97 HG21 THR 97 -10.490 -19.586 15.437 782 HG22 THR 97 HG22 THR 97 -11.958 -20.548 15.625 783 HG23 THR 97 HG23 THR 97 -10.634 -20.727 16.777 784 H LYS 98 H LYS 98 -12.060 -15.478 16.942 785 HA LYS 98 HA LYS 98 -12.849 -13.883 18.316 786 HB2 LYS 98 HB2 LYS 98 -15.534 -15.090 17.570 787 HB3 LYS 98 HB3 LYS 98 -15.401 -13.672 18.606 788 HG2 LYS 98 HG2 LYS 98 -14.268 -12.442 16.784 789 HG3 LYS 98 HG3 LYS 98 -14.424 -13.855 15.728 790 HD2 LYS 98 HD2 LYS 98 -16.867 -13.707 15.839 791 HD3 LYS 98 HD3 LYS 98 -16.774 -12.373 16.993 792 HE2 LYS 98 HE2 LYS 98 -17.303 -11.584 14.718 793 HE3 LYS 98 HE3 LYS 98 -15.756 -10.941 15.271 794 HZ1 LYS 98 HZ1 LYS 98 -16.053 -13.300 13.487 795 HZ2 LYS 98 HZ2 LYS 98 -14.608 -12.532 13.916 796 HZ3 LYS 98 HZ3 LYS 98 -15.739 -11.730 12.952 797 H VAL 99 H VAL 99 -14.247 -13.450 20.388 798 HA VAL 99 HA VAL 99 -14.074 -15.750 22.250 799 HB VAL 99 HB VAL 99 -13.428 -12.829 22.922 800 HG11 VAL 99 HG11 VAL 99 -12.753 -13.669 25.154 801 HG12 VAL 99 HG12 VAL 99 -13.284 -15.292 24.708 802 HG13 VAL 99 HG13 VAL 99 -14.460 -13.982 24.832 803 HG21 VAL 99 HG21 VAL 99 -11.087 -13.596 23.268 804 HG22 VAL 99 HG22 VAL 99 -11.617 -13.825 21.599 805 HG23 VAL 99 HG23 VAL 99 -11.537 -15.205 22.696 Start of MODEL 15 1 H2 GLY 1 H2 GLY 1 14.128 15.353 26.016 2 H GLY 1 H1 GLY 1 14.422 15.552 24.364 3 H3 GLY 1 H3 GLY 1 13.926 16.869 25.298 4 HA2 GLY 1 HA2 GLY 1 12.308 14.451 24.733 5 HA3 GLY 1 HA3 GLY 1 11.796 15.815 25.716 6 H VAL 2 H VAL 2 12.738 14.831 22.457 7 HA VAL 2 HA VAL 2 11.728 17.256 21.207 8 HB VAL 2 HB VAL 2 12.191 15.979 19.021 9 HG11 VAL 2 HG11 VAL 2 13.791 17.604 19.935 10 HG12 VAL 2 HG12 VAL 2 14.651 16.254 19.193 11 HG13 VAL 2 HG13 VAL 2 14.515 16.351 20.952 12 HG21 VAL 2 HG21 VAL 2 13.457 13.940 20.904 13 HG22 VAL 2 HG22 VAL 2 13.667 13.973 19.152 14 HG23 VAL 2 HG23 VAL 2 12.074 13.660 19.839 15 H GLU 3 H GLU 3 9.634 17.004 22.323 16 HA GLU 3 HA GLU 3 7.661 15.480 20.743 17 HB2 GLU 3 HB2 GLU 3 7.795 15.543 23.807 18 HB3 GLU 3 HB3 GLU 3 6.438 14.902 22.882 19 HG2 GLU 3 HG2 GLU 3 7.866 13.136 21.956 20 HG3 GLU 3 HG3 GLU 3 9.268 13.801 22.797 21 H LYS 4 H LYS 4 7.071 17.456 19.753 22 HA LYS 4 HA LYS 4 5.911 19.590 21.362 23 HB2 LYS 4 HB2 LYS 4 7.087 20.100 19.196 24 HB3 LYS 4 HB3 LYS 4 5.832 19.217 18.331 25 HG2 LYS 4 HG2 LYS 4 4.140 20.851 19.144 26 HG3 LYS 4 HG3 LYS 4 5.418 21.739 19.984 27 HD2 LYS 4 HD2 LYS 4 6.522 22.205 17.801 28 HD3 LYS 4 HD3 LYS 4 5.237 21.322 16.964 29 HE2 LYS 4 HE2 LYS 4 3.580 22.943 17.790 30 HE3 LYS 4 HE3 LYS 4 4.844 23.812 18.659 31 HZ1 LYS 4 HZ1 LYS 4 4.627 23.498 15.724 32 HZ2 LYS 4 HZ2 LYS 4 5.891 24.281 16.524 33 HZ3 LYS 4 HZ3 LYS 4 4.324 24.909 16.608 34 H THR 5 H THR 5 4.583 17.978 22.457 35 HA THR 5 HA THR 5 2.307 16.797 21.080 36 HB THR 5 HB THR 5 2.965 16.816 24.063 37 HG1 THR 5 HG1 THR 5 3.660 14.507 23.025 38 HG21 THR 5 HG21 THR 5 1.672 14.721 24.157 39 HG22 THR 5 HG22 THR 5 1.332 14.831 22.430 40 HG23 THR 5 HG23 THR 5 0.659 16.030 23.538 41 H ALA 6 H ALA 6 3.049 19.691 22.831 42 HA ALA 6 HA ALA 6 0.478 20.474 23.728 43 HB1 ALA 6 HB1 ALA 6 2.531 21.565 24.540 44 HB2 ALA 6 HB2 ALA 6 1.433 22.756 23.841 45 HB3 ALA 6 HB3 ALA 6 2.846 22.216 22.929 46 H GLY 7 H GLY 7 -1.042 20.111 22.167 47 HA2 GLY 7 HA2 GLY 7 -0.896 21.586 19.581 48 HA3 GLY 7 HA3 GLY 7 -1.840 20.132 19.887 49 H GLU 8 H GLU 8 -3.087 22.188 18.754 50 HA GLU 8 HA GLU 8 -5.308 22.583 20.492 51 HB2 GLU 8 HB2 GLU 8 -5.304 25.157 20.354 52 HB3 GLU 8 HB3 GLU 8 -4.171 24.438 21.489 53 HG2 GLU 8 HG2 GLU 8 -2.298 24.891 20.061 54 HG3 GLU 8 HG3 GLU 8 -3.347 25.334 18.715 55 H THR 9 H THR 9 -3.617 23.722 17.592 56 HA THR 9 HA THR 9 -4.222 24.441 15.571 57 HB THR 9 HB THR 9 -6.556 22.507 15.871 58 HG1 THR 9 HG1 THR 9 -4.218 21.762 15.998 59 HG21 THR 9 HG21 THR 9 -6.616 22.486 13.397 60 HG22 THR 9 HG22 THR 9 -5.335 23.697 13.353 61 HG23 THR 9 HG23 THR 9 -6.914 24.110 14.017 62 H SER 10 H SER 10 -4.586 26.560 16.261 63 HA SER 10 HA SER 10 -7.099 27.656 16.989 64 HB2 SER 10 HB2 SER 10 -4.953 28.860 17.339 65 HB3 SER 10 HB3 SER 10 -4.733 29.000 15.596 66 HG SER 10 HG SER 10 -7.018 30.018 16.927 67 H ALA 11 H ALA 11 -5.512 27.036 13.893 68 HA ALA 11 HA ALA 11 -8.072 27.041 12.481 69 HB1 ALA 11 HB1 ALA 11 -7.258 28.503 10.669 70 HB2 ALA 11 HB2 ALA 11 -5.754 28.790 11.548 71 HB3 ALA 11 HB3 ALA 11 -7.286 29.372 12.206 72 H THR 12 H THR 12 -8.062 25.688 10.669 73 HA THR 12 HA THR 12 -5.951 23.661 10.574 74 HB THR 12 HB THR 12 -7.600 22.458 9.054 75 HG1 THR 12 HG1 THR 12 -8.860 24.016 8.172 76 HG21 THR 12 HG21 THR 12 -8.777 23.359 11.716 77 HG22 THR 12 HG22 THR 12 -7.628 22.037 11.506 78 HG23 THR 12 HG23 THR 12 -9.242 21.922 10.805 79 H ASP 13 H ASP 13 -5.863 26.501 9.257 80 HA ASP 13 HA ASP 13 -6.015 26.434 6.482 81 HB2 ASP 13 HB2 ASP 13 -4.674 28.496 6.524 82 HB3 ASP 13 HB3 ASP 13 -5.857 28.515 7.824 83 H THR 14 H THR 14 -3.254 25.756 8.582 84 HA THR 14 HA THR 14 -1.916 24.191 6.505 85 HB THR 14 HB THR 14 -0.378 26.329 8.069 86 HG1 THR 14 HG1 THR 14 -1.797 27.338 6.538 87 HG21 THR 14 HG21 THR 14 1.013 24.416 7.319 88 HG22 THR 14 HG22 THR 14 1.440 25.883 6.431 89 HG23 THR 14 HG23 THR 14 0.439 24.650 5.665 90 H GLY 15 H GLY 15 -2.440 25.029 9.868 91 HA2 GLY 15 HA2 GLY 15 -0.488 23.545 11.190 92 HA3 GLY 15 HA3 GLY 15 -2.060 23.959 11.859 93 H LYS 16 H LYS 16 -3.918 22.489 10.878 94 HA LYS 16 HA LYS 16 -3.366 19.772 11.492 95 HB2 LYS 16 HB2 LYS 16 -5.772 21.259 10.462 96 HB3 LYS 16 HB3 LYS 16 -5.773 19.511 10.288 97 HG2 LYS 16 HG2 LYS 16 -5.396 20.966 12.914 98 HG3 LYS 16 HG3 LYS 16 -6.937 20.335 12.326 99 HD2 LYS 16 HD2 LYS 16 -5.965 18.039 12.318 100 HD3 LYS 16 HD3 LYS 16 -4.449 18.681 12.955 101 HE2 LYS 16 HE2 LYS 16 -5.547 19.346 15.017 102 HE3 LYS 16 HE3 LYS 16 -7.129 18.903 14.371 103 HZ1 LYS 16 HZ1 LYS 16 -6.462 16.614 14.315 104 HZ2 LYS 16 HZ2 LYS 16 -6.205 17.221 15.872 105 HZ3 LYS 16 HZ3 LYS 16 -4.896 16.994 14.823 106 H ARG 17 H ARG 17 -3.561 21.544 8.468 107 HA ARG 17 HA ARG 17 -3.853 19.465 6.629 108 HB2 ARG 17 HB2 ARG 17 -4.068 21.821 5.974 109 HB3 ARG 17 HB3 ARG 17 -2.392 22.132 6.391 110 HG2 ARG 17 HG2 ARG 17 -2.631 22.075 3.983 111 HG3 ARG 17 HG3 ARG 17 -1.647 20.708 4.497 112 HD2 ARG 17 HD2 ARG 17 -4.617 20.492 3.895 113 HD3 ARG 17 HD3 ARG 17 -3.367 20.223 2.679 114 HE ARG 17 HE ARG 17 -2.556 18.503 4.477 115 HH11 ARG 17 HH11 ARG 17 -5.895 19.050 3.432 116 HH12 ARG 17 HH12 ARG 17 -6.386 17.425 3.791 117 HH21 ARG 17 HH21 ARG 17 -3.243 16.425 5.023 118 HH22 ARG 17 HH22 ARG 17 -4.877 15.939 4.699 119 H GLU 18 H GLU 18 -0.887 20.880 7.961 120 HA GLU 18 HA GLU 18 0.901 19.141 6.518 121 HB2 GLU 18 HB2 GLU 18 1.432 21.510 7.065 122 HB3 GLU 18 HB3 GLU 18 1.422 21.107 8.780 123 HG2 GLU 18 HG2 GLU 18 3.347 19.608 8.446 124 HG3 GLU 18 HG3 GLU 18 3.356 19.996 6.725 125 H LYS 19 H LYS 19 -0.173 19.460 9.909 126 HA LYS 19 HA LYS 19 1.503 17.591 11.154 127 HB2 LYS 19 HB2 LYS 19 0.193 19.245 12.394 128 HB3 LYS 19 HB3 LYS 19 -1.310 18.538 11.826 129 HG2 LYS 19 HG2 LYS 19 -0.996 17.945 14.134 130 HG3 LYS 19 HG3 LYS 19 -0.824 16.485 13.155 131 HD2 LYS 19 HD2 LYS 19 1.648 16.644 13.343 132 HD3 LYS 19 HD3 LYS 19 1.491 18.129 14.287 133 HE2 LYS 19 HE2 LYS 19 0.317 16.863 16.064 134 HE3 LYS 19 HE3 LYS 19 0.476 15.387 15.112 135 HZ1 LYS 19 HZ1 LYS 19 2.180 15.520 16.813 136 HZ2 LYS 19 HZ2 LYS 19 2.721 16.996 16.197 137 HZ3 LYS 19 HZ3 LYS 19 2.882 15.592 15.277 138 H GLN 20 H GLN 20 -1.837 17.162 9.975 139 HA GLN 20 HA GLN 20 -2.051 14.421 10.691 140 HB2 GLN 20 HB2 GLN 20 -3.689 16.156 8.794 141 HB3 GLN 20 HB3 GLN 20 -4.135 14.506 9.240 142 HG2 GLN 20 HG2 GLN 20 -3.939 16.901 11.093 143 HG3 GLN 20 HG3 GLN 20 -5.414 16.111 10.548 144 HE21 GLN 20 HE21 GLN 20 -4.408 13.389 10.927 145 HE22 GLN 20 HE22 GLN 20 -4.351 13.137 12.634 146 H LEU 21 H LEU 21 -0.964 16.083 7.792 147 HA LEU 21 HA LEU 21 -1.109 13.918 5.953 148 HB2 LEU 21 HB2 LEU 21 -0.884 16.448 5.519 149 HB3 LEU 21 HB3 LEU 21 0.825 16.260 5.837 150 HG LEU 21 HG LEU 21 -0.596 14.761 3.597 151 HD11 LEU 21 HD11 LEU 21 -0.915 17.148 3.226 152 HD12 LEU 21 HD12 LEU 21 0.204 16.477 2.044 153 HD13 LEU 21 HD13 LEU 21 0.822 17.429 3.397 154 HD21 LEU 21 HD21 LEU 21 2.353 15.379 4.009 155 HD22 LEU 21 HD22 LEU 21 1.662 14.586 2.590 156 HD23 LEU 21 HD23 LEU 21 1.579 13.796 4.162 157 H GLN 22 H GLN 22 1.486 15.179 8.049 158 HA GLN 22 HA GLN 22 3.594 13.494 7.242 159 HB2 GLN 22 HB2 GLN 22 3.075 14.930 9.872 160 HB3 GLN 22 HB3 GLN 22 4.570 14.052 9.557 161 HG2 GLN 22 HG2 GLN 22 5.050 15.546 7.661 162 HG3 GLN 22 HG3 GLN 22 3.550 16.424 7.965 163 HE21 GLN 22 HE21 GLN 22 4.776 18.354 8.253 164 HE22 GLN 22 HE22 GLN 22 5.674 18.655 9.698 165 H GLN 23 H GLN 23 1.275 13.121 9.938 166 HA GLN 23 HA GLN 23 2.403 10.698 10.955 167 HB2 GLN 23 HB2 GLN 23 -0.388 11.842 11.422 168 HB3 GLN 23 HB3 GLN 23 0.385 10.573 12.376 169 HG2 GLN 23 HG2 GLN 23 2.168 12.184 13.028 170 HG3 GLN 23 HG3 GLN 23 1.324 13.449 12.136 171 HE21 GLN 23 HE21 GLN 23 1.306 11.436 14.991 172 HE22 GLN 23 HE22 GLN 23 0.069 12.302 15.835 173 H TRP 24 H TRP 24 -0.348 11.394 8.839 174 HA TRP 24 HA TRP 24 -1.330 8.780 8.427 175 HB2 TRP 24 HB2 TRP 24 -2.627 10.766 7.848 176 HB3 TRP 24 HB3 TRP 24 -1.406 11.290 6.699 177 HD1 TRP 24 HD1 TRP 24 -2.939 7.704 6.732 178 HE1 TRP 24 HE1 TRP 24 -4.216 7.395 4.508 179 HE3 TRP 24 HE3 TRP 24 -2.483 12.441 4.861 180 HZ2 TRP 24 HZ2 TRP 24 -4.947 8.944 2.290 181 HZ3 TRP 24 HZ3 TRP 24 -3.520 12.951 2.688 182 HH2 TRP 24 HH2 TRP 24 -4.725 11.237 1.427 183 H LYS 25 H LYS 25 1.215 10.633 6.787 184 HA LYS 25 HA LYS 25 1.861 8.922 4.686 185 HB2 LYS 25 HB2 LYS 25 2.652 11.181 4.801 186 HB3 LYS 25 HB3 LYS 25 3.456 10.904 6.335 187 HG2 LYS 25 HG2 LYS 25 5.171 9.575 5.277 188 HG3 LYS 25 HG3 LYS 25 4.311 9.617 3.730 189 HD2 LYS 25 HD2 LYS 25 5.471 12.043 5.171 190 HD3 LYS 25 HD3 LYS 25 6.193 11.222 3.796 191 HE2 LYS 25 HE2 LYS 25 4.066 11.775 2.492 192 HE3 LYS 25 HE3 LYS 25 3.610 12.809 3.844 193 HZ1 LYS 25 HZ1 LYS 25 5.574 14.131 3.472 194 HZ2 LYS 25 HZ2 LYS 25 4.679 14.028 2.045 195 HZ3 LYS 25 HZ3 LYS 25 6.087 13.112 2.227 196 H ASN 26 H ASN 26 2.985 8.934 8.076 197 HA ASN 26 HA ASN 26 4.728 6.692 7.874 198 HB2 ASN 26 HB2 ASN 26 3.254 7.758 10.325 199 HB3 ASN 26 HB3 ASN 26 4.547 6.562 10.369 200 HD21 ASN 26 HD21 ASN 26 3.794 9.890 10.260 201 HD22 ASN 26 HD22 ASN 26 5.409 10.488 10.198 202 H ASN 27 H ASN 27 1.274 7.047 8.642 203 HA ASN 27 HA ASN 27 0.832 4.424 9.624 204 HB2 ASN 27 HB2 ASN 27 -1.175 6.386 8.436 205 HB3 ASN 27 HB3 ASN 27 -1.594 4.961 9.378 206 HD21 ASN 27 HD21 ASN 27 0.673 5.456 11.315 207 HD22 ASN 27 HD22 ASN 27 0.139 6.784 12.276 208 H LEU 28 H LEU 28 0.701 5.805 6.375 209 HA LEU 28 HA LEU 28 -0.536 3.560 5.117 210 HB2 LEU 28 HB2 LEU 28 1.124 5.820 3.947 211 HB3 LEU 28 HB3 LEU 28 0.297 4.610 2.978 212 HG LEU 28 HG LEU 28 -0.993 6.725 4.745 213 HD11 LEU 28 HD11 LEU 28 -1.961 7.567 2.673 214 HD12 LEU 28 HD12 LEU 28 -1.131 6.314 1.745 215 HD13 LEU 28 HD13 LEU 28 -0.200 7.564 2.579 216 HD21 LEU 28 HD21 LEU 28 -2.268 4.661 4.972 217 HD22 LEU 28 HD22 LEU 28 -2.346 4.480 3.217 218 HD23 LEU 28 HD23 LEU 28 -3.166 5.829 4.010 219 H LYS 29 H LYS 29 2.860 4.543 5.595 220 HA LYS 29 HA LYS 29 4.030 2.460 4.030 221 HB2 LYS 29 HB2 LYS 29 5.249 4.108 6.281 222 HB3 LYS 29 HB3 LYS 29 6.157 3.070 5.180 223 HG2 LYS 29 HG2 LYS 29 5.432 4.481 3.269 224 HG3 LYS 29 HG3 LYS 29 4.569 5.539 4.393 225 HD2 LYS 29 HD2 LYS 29 7.570 5.016 4.389 226 HD3 LYS 29 HD3 LYS 29 6.779 6.463 3.760 227 HE2 LYS 29 HE2 LYS 29 6.031 7.087 5.987 228 HE3 LYS 29 HE3 LYS 29 6.621 5.564 6.658 229 HZ1 LYS 29 HZ1 LYS 29 8.090 7.518 7.019 230 HZ2 LYS 29 HZ2 LYS 29 8.396 7.545 5.353 231 HZ3 LYS 29 HZ3 LYS 29 8.845 6.201 6.275 232 H ASN 30 H ASN 30 3.118 2.703 7.431 233 HA ASN 30 HA ASN 30 4.276 0.281 8.391 234 HB2 ASN 30 HB2 ASN 30 1.743 1.693 9.352 235 HB3 ASN 30 HB3 ASN 30 2.629 0.464 10.251 236 HD21 ASN 30 HD21 ASN 30 1.956 3.229 10.937 237 HD22 ASN 30 HD22 ASN 30 3.461 3.993 11.314 238 H ASP 31 H ASP 31 1.116 1.110 7.031 239 HA ASP 31 HA ASP 31 -0.046 -1.458 7.074 240 HB2 ASP 31 HB2 ASP 31 -0.635 1.044 5.464 241 HB3 ASP 31 HB3 ASP 31 -1.553 -0.439 5.213 242 H VAL 32 H VAL 32 2.069 0.112 4.731 243 HA VAL 32 HA VAL 32 1.879 -1.712 2.590 244 HB VAL 32 HB VAL 32 4.151 0.121 3.493 245 HG11 VAL 32 HG11 VAL 32 5.206 -1.741 2.275 246 HG12 VAL 32 HG12 VAL 32 5.254 -0.265 1.309 247 HG13 VAL 32 HG13 VAL 32 4.073 -1.523 0.941 248 HG21 VAL 32 HG21 VAL 32 2.216 0.282 1.148 249 HG22 VAL 32 HG22 VAL 32 3.479 1.465 1.514 250 HG23 VAL 32 HG23 VAL 32 2.129 1.236 2.627 251 H ASP 33 H ASP 33 3.801 -1.760 5.555 252 HA ASP 33 HA ASP 33 5.107 -4.277 5.016 253 HB2 ASP 33 HB2 ASP 33 4.861 -2.536 7.496 254 HB3 ASP 33 HB3 ASP 33 5.669 -4.094 7.552 255 H ASN 34 H ASN 34 2.134 -3.293 6.649 256 HA ASN 34 HA ASN 34 1.566 -5.770 7.968 257 HB2 ASN 34 HB2 ASN 34 -0.289 -3.477 7.172 258 HB3 ASN 34 HB3 ASN 34 -0.794 -4.847 8.158 259 HD21 ASN 34 HD21 ASN 34 -0.706 -1.960 8.774 260 HD22 ASN 34 HD22 ASN 34 0.245 -1.825 10.210 261 H THR 35 H THR 35 0.990 -4.553 4.748 262 HA THR 35 HA THR 35 -0.887 -6.636 3.973 263 HB THR 35 HB THR 35 -0.686 -5.541 1.686 264 HG1 THR 35 HG1 THR 35 1.047 -3.832 3.139 265 HG21 THR 35 HG21 THR 35 -1.458 -3.698 3.972 266 HG22 THR 35 HG22 THR 35 -2.506 -4.903 3.216 267 HG23 THR 35 HG23 THR 35 -1.943 -3.513 2.284 268 H ILE 36 H ILE 36 -0.466 -7.960 2.040 269 HA ILE 36 HA ILE 36 2.068 -9.362 2.359 270 HB ILE 36 HB ILE 36 1.089 -11.186 1.103 271 HG12 ILE 36 HG12 ILE 36 -1.438 -9.560 0.540 272 HG13 ILE 36 HG13 ILE 36 -0.121 -9.651 -0.622 273 HG21 ILE 36 HG21 ILE 36 -1.030 -10.016 2.945 274 HG22 ILE 36 HG22 ILE 36 0.369 -10.969 3.457 275 HG23 ILE 36 HG23 ILE 36 -0.891 -11.710 2.468 276 HD11 ILE 36 HD11 ILE 36 -1.687 -12.017 0.422 277 HD12 ILE 36 HD12 ILE 36 -0.391 -12.070 -0.778 278 HD13 ILE 36 HD13 ILE 36 -1.897 -11.231 -1.140 279 H LEU 37 H LEU 37 2.060 -6.718 0.918 280 HA LEU 37 HA LEU 37 2.223 -6.907 -1.851 281 HB2 LEU 37 HB2 LEU 37 3.886 -5.089 -0.080 282 HB3 LEU 37 HB3 LEU 37 3.638 -4.886 -1.804 283 HG LEU 37 HG LEU 37 1.629 -4.477 0.426 284 HD11 LEU 37 HD11 LEU 37 2.701 -2.601 -1.705 285 HD12 LEU 37 HD12 LEU 37 3.150 -2.616 0.004 286 HD13 LEU 37 HD13 LEU 37 1.507 -2.198 -0.464 287 HD21 LEU 37 HD21 LEU 37 1.035 -4.511 -2.547 288 HD22 LEU 37 HD22 LEU 37 -0.064 -3.926 -1.292 289 HD23 LEU 37 HD23 LEU 37 0.406 -5.622 -1.326 290 H SER 38 H SER 38 3.866 -7.272 -3.345 291 HA SER 38 HA SER 38 5.982 -9.038 -2.780 292 HB2 SER 38 HB2 SER 38 5.729 -7.111 -5.134 293 HB3 SER 38 HB3 SER 38 6.712 -8.579 -5.084 294 HG SER 38 HG SER 38 4.652 -9.702 -4.693 295 H HIS 39 H HIS 39 8.360 -8.554 -2.994 296 HA HIS 39 HA HIS 39 9.123 -6.734 -0.995 297 HB2 HIS 39 HB2 HIS 39 10.392 -8.783 -1.661 298 HB3 HIS 39 HB3 HIS 39 10.889 -7.977 -3.146 299 HD1 HIS 39 HD1 HIS 39 11.340 -7.744 0.613 300 HD2 HIS 39 HD2 HIS 39 13.161 -6.405 -2.874 301 HE1 HIS 39 HE1 HIS 39 13.491 -6.658 1.335 302 HE2 HIS 39 HE2 HIS 39 14.588 -5.895 -0.803 303 H GLU 40 H GLU 40 9.266 -6.444 -4.531 304 HA GLU 40 HA GLU 40 10.518 -3.867 -4.583 305 HB2 GLU 40 HB2 GLU 40 8.837 -5.146 -6.780 306 HB3 GLU 40 HB3 GLU 40 10.078 -3.910 -6.972 307 HG2 GLU 40 HG2 GLU 40 10.498 -6.813 -6.183 308 HG3 GLU 40 HG3 GLU 40 10.900 -6.076 -7.730 309 H GLN 41 H GLN 41 7.133 -4.985 -4.586 310 HA GLN 41 HA GLN 41 5.872 -2.498 -5.113 311 HB2 GLN 41 HB2 GLN 41 4.843 -4.901 -3.547 312 HB3 GLN 41 HB3 GLN 41 3.851 -3.496 -3.924 313 HG2 GLN 41 HG2 GLN 41 5.036 -5.475 -5.888 314 HG3 GLN 41 HG3 GLN 41 3.338 -5.280 -5.462 315 HE21 GLN 41 HE21 GLN 41 2.241 -3.353 -6.185 316 HE22 GLN 41 HE22 GLN 41 2.808 -2.491 -7.567 317 H LYS 42 H LYS 42 6.910 -4.054 -2.077 318 HA LYS 42 HA LYS 42 5.782 -2.224 -0.277 319 HB2 LYS 42 HB2 LYS 42 8.158 -4.105 0.004 320 HB3 LYS 42 HB3 LYS 42 7.694 -3.020 1.312 321 HG2 LYS 42 HG2 LYS 42 5.325 -4.146 1.043 322 HG3 LYS 42 HG3 LYS 42 6.229 -5.428 0.229 323 HD2 LYS 42 HD2 LYS 42 7.596 -5.795 2.224 324 HD3 LYS 42 HD3 LYS 42 6.868 -4.399 3.028 325 HE2 LYS 42 HE2 LYS 42 5.825 -6.360 3.954 326 HE3 LYS 42 HE3 LYS 42 4.641 -5.605 2.894 327 HZ1 LYS 42 HZ1 LYS 42 6.315 -7.974 2.247 328 HZ2 LYS 42 HZ2 LYS 42 5.265 -7.217 1.170 329 HZ3 LYS 42 HZ3 LYS 42 4.650 -7.969 2.555 330 H ASN 43 H ASN 43 9.045 -2.444 -1.602 331 HA ASN 43 HA ASN 43 10.126 -0.168 -0.332 332 HB2 ASN 43 HB2 ASN 43 11.007 -1.691 -2.832 333 HB3 ASN 43 HB3 ASN 43 11.993 -0.470 -2.043 334 HD21 ASN 43 HD21 ASN 43 12.611 -3.264 -2.460 335 HD22 ASN 43 HD22 ASN 43 12.868 -3.952 -0.899 336 H GLU 44 H GLU 44 8.303 -0.554 -3.313 337 HA GLU 44 HA GLU 44 8.969 1.981 -4.489 338 HB2 GLU 44 HB2 GLU 44 8.187 0.017 -5.829 339 HB3 GLU 44 HB3 GLU 44 6.606 0.146 -5.064 340 HG2 GLU 44 HG2 GLU 44 6.295 2.382 -6.054 341 HG3 GLU 44 HG3 GLU 44 7.882 2.277 -6.814 342 H PHE 45 H PHE 45 6.010 0.733 -2.863 343 HA PHE 45 HA PHE 45 4.542 3.121 -2.997 344 HB2 PHE 45 HB2 PHE 45 4.222 0.623 -1.309 345 HB3 PHE 45 HB3 PHE 45 3.184 2.013 -1.012 346 HD1 PHE 45 HD1 PHE 45 1.959 2.987 -3.155 347 HD2 PHE 45 HD2 PHE 45 3.488 -1.005 -2.905 348 HE1 PHE 45 HE1 PHE 45 0.430 2.280 -4.950 349 HE2 PHE 45 HE2 PHE 45 1.968 -1.696 -4.702 350 HZ PHE 45 HZ PHE 45 0.434 -0.062 -5.728 351 H LYS 46 H LYS 46 6.598 1.833 -0.371 352 HA LYS 46 HA LYS 46 6.121 3.716 1.627 353 HB2 LYS 46 HB2 LYS 46 8.716 2.311 0.908 354 HB3 LYS 46 HB3 LYS 46 8.478 3.218 2.400 355 HG2 LYS 46 HG2 LYS 46 6.745 1.662 3.118 356 HG3 LYS 46 HG3 LYS 46 6.866 0.786 1.583 357 HD2 LYS 46 HD2 LYS 46 9.327 0.347 2.151 358 HD3 LYS 46 HD3 LYS 46 8.987 0.999 3.760 359 HE2 LYS 46 HE2 LYS 46 7.215 -0.755 4.000 360 HE3 LYS 46 HE3 LYS 46 7.750 -1.450 2.476 361 HZ1 LYS 46 HZ1 LYS 46 9.932 -1.800 3.469 362 HZ2 LYS 46 HZ2 LYS 46 8.726 -2.593 4.350 363 HZ3 LYS 46 HZ3 LYS 46 9.392 -1.154 4.936 364 H THR 47 H THR 47 8.600 3.854 -0.956 365 HA THR 47 HA THR 47 9.751 6.329 -0.278 366 HB THR 47 HB THR 47 9.638 4.980 -3.009 367 HG1 THR 47 HG1 THR 47 11.032 3.638 -2.193 368 HG21 THR 47 HG21 THR 47 11.636 7.023 -1.955 369 HG22 THR 47 HG22 THR 47 10.400 7.353 -3.173 370 HG23 THR 47 HG23 THR 47 11.706 6.217 -3.524 371 H LYS 48 H LYS 48 7.212 5.500 -2.642 372 HA LYS 48 HA LYS 48 6.777 8.057 -3.728 373 HB2 LYS 48 HB2 LYS 48 4.962 5.627 -3.517 374 HB3 LYS 48 HB3 LYS 48 4.470 7.097 -4.355 375 HG2 LYS 48 HG2 LYS 48 6.383 6.865 -5.894 376 HG3 LYS 48 HG3 LYS 48 6.862 5.370 -5.078 377 HD2 LYS 48 HD2 LYS 48 4.817 4.254 -5.782 378 HD3 LYS 48 HD3 LYS 48 4.141 5.765 -6.403 379 HE2 LYS 48 HE2 LYS 48 5.882 5.836 -8.138 380 HE3 LYS 48 HE3 LYS 48 6.584 4.344 -7.510 381 HZ1 LYS 48 HZ1 LYS 48 3.835 4.604 -8.606 382 HZ2 LYS 48 HZ2 LYS 48 4.569 3.174 -8.079 383 HZ3 LYS 48 HZ3 LYS 48 5.160 3.974 -9.446 384 H ILE 49 H ILE 49 5.284 6.465 -0.939 385 HA ILE 49 HA ILE 49 3.290 8.375 -0.364 386 HB ILE 49 HB ILE 49 4.659 6.303 1.410 387 HG12 ILE 49 HG12 ILE 49 1.820 6.260 0.282 388 HG13 ILE 49 HG13 ILE 49 3.184 5.541 -0.556 389 HG21 ILE 49 HG21 ILE 49 2.208 7.958 2.113 390 HG22 ILE 49 HG22 ILE 49 3.792 8.083 2.875 391 HG23 ILE 49 HG23 ILE 49 2.849 6.607 3.060 392 HD11 ILE 49 HD11 ILE 49 2.175 4.704 2.164 393 HD12 ILE 49 HD12 ILE 49 3.512 3.966 1.278 394 HD13 ILE 49 HD13 ILE 49 1.872 3.878 0.638 395 H ASP 50 H ASP 50 6.693 8.040 0.650 396 HA ASP 50 HA ASP 50 6.795 10.299 2.376 397 HB2 ASP 50 HB2 ASP 50 8.969 8.779 0.894 398 HB3 ASP 50 HB3 ASP 50 9.343 10.204 1.855 399 H GLU 51 H GLU 51 7.296 9.946 -1.124 400 HA GLU 51 HA GLU 51 8.448 12.546 -1.532 401 HB2 GLU 51 HB2 GLU 51 7.188 10.665 -3.588 402 HB3 GLU 51 HB3 GLU 51 8.191 12.068 -3.957 403 HG2 GLU 51 HG2 GLU 51 9.052 9.510 -2.595 404 HG3 GLU 51 HG3 GLU 51 9.491 10.046 -4.209 405 H THR 52 H THR 52 5.227 11.316 -1.372 406 HA THR 52 HA THR 52 4.013 13.495 -2.866 407 HB THR 52 HB THR 52 2.750 11.125 -1.428 408 HG1 THR 52 HG1 THR 52 4.164 10.843 -3.381 409 HG21 THR 52 HG21 THR 52 0.742 11.629 -2.759 410 HG22 THR 52 HG22 THR 52 1.510 13.081 -3.399 411 HG23 THR 52 HG23 THR 52 1.125 12.971 -1.678 412 H ASN 53 H ASN 53 3.587 15.346 -1.945 413 HA ASN 53 HA ASN 53 2.890 15.597 0.927 414 HB2 ASN 53 HB2 ASN 53 4.037 17.644 -1.038 415 HB3 ASN 53 HB3 ASN 53 3.518 18.036 0.600 416 HD21 ASN 53 HD21 ASN 53 6.158 18.258 -0.647 417 HD22 ASN 53 HD22 ASN 53 7.235 17.351 0.354 418 H ASP 54 H ASP 54 1.186 14.822 -1.414 419 HA ASP 54 HA ASP 54 -0.941 16.896 -1.139 420 HB2 ASP 54 HB2 ASP 54 0.015 16.769 -3.480 421 HB3 ASP 54 HB3 ASP 54 -0.457 15.074 -3.558 422 H SER 55 H SER 55 -2.911 16.164 -0.484 423 HA SER 55 HA SER 55 -3.049 13.655 0.843 424 HB2 SER 55 HB2 SER 55 -5.245 15.675 0.267 425 HB3 SER 55 HB3 SER 55 -5.351 14.355 1.436 426 HG SER 55 HG SER 55 -3.962 15.363 2.722 427 H ASP 56 H ASP 56 -4.600 14.869 -2.153 428 HA ASP 56 HA ASP 56 -6.260 12.566 -2.554 429 HB2 ASP 56 HB2 ASP 56 -5.383 14.679 -4.571 430 HB3 ASP 56 HB3 ASP 56 -6.704 13.537 -4.798 431 H ALA 57 H ALA 57 -3.027 13.447 -3.504 432 HA ALA 57 HA ALA 57 -2.652 11.314 -5.414 433 HB1 ALA 57 HB1 ALA 57 -0.316 12.090 -5.469 434 HB2 ALA 57 HB2 ALA 57 -0.638 13.178 -4.120 435 HB3 ALA 57 HB3 ALA 57 -1.447 13.431 -5.668 436 H LEU 58 H LEU 58 -2.088 11.778 -1.941 437 HA LEU 58 HA LEU 58 -0.787 9.257 -1.494 438 HB2 LEU 58 HB2 LEU 58 -2.230 11.217 0.319 439 HB3 LEU 58 HB3 LEU 58 -1.710 9.661 0.937 440 HG LEU 58 HG LEU 58 0.174 11.748 -0.237 441 HD11 LEU 58 HD11 LEU 58 0.903 12.169 2.070 442 HD12 LEU 58 HD12 LEU 58 -0.345 11.072 2.672 443 HD13 LEU 58 HD13 LEU 58 -0.801 12.568 1.854 444 HD21 LEU 58 HD21 LEU 58 0.746 9.161 1.245 445 HD22 LEU 58 HD22 LEU 58 1.948 10.340 0.710 446 HD23 LEU 58 HD23 LEU 58 1.001 9.451 -0.479 447 H LEU 59 H LEU 59 -4.141 10.347 -1.668 448 HA LEU 59 HA LEU 59 -5.400 7.895 -0.891 449 HB2 LEU 59 HB2 LEU 59 -6.411 10.264 -2.521 450 HB3 LEU 59 HB3 LEU 59 -7.436 8.923 -2.033 451 HG LEU 59 HG LEU 59 -6.015 10.790 -0.089 452 HD11 LEU 59 HD11 LEU 59 -8.200 11.793 0.343 453 HD12 LEU 59 HD12 LEU 59 -8.929 10.793 -0.919 454 HD13 LEU 59 HD13 LEU 59 -7.723 12.015 -1.338 455 HD21 LEU 59 HD21 LEU 59 -7.470 9.769 1.607 456 HD22 LEU 59 HD22 LEU 59 -6.405 8.579 0.869 457 HD23 LEU 59 HD23 LEU 59 -8.107 8.644 0.400 458 H GLU 60 H GLU 60 -4.149 9.190 -3.918 459 HA GLU 60 HA GLU 60 -5.195 7.227 -5.700 460 HB2 GLU 60 HB2 GLU 60 -4.266 9.371 -6.531 461 HB3 GLU 60 HB3 GLU 60 -2.677 8.938 -5.907 462 HG2 GLU 60 HG2 GLU 60 -2.665 6.973 -7.485 463 HG3 GLU 60 HG3 GLU 60 -4.162 7.587 -8.183 464 H LEU 61 H LEU 61 -2.029 7.582 -4.062 465 HA LEU 61 HA LEU 61 -0.852 5.145 -4.783 466 HB2 LEU 61 HB2 LEU 61 -0.525 6.841 -2.288 467 HB3 LEU 61 HB3 LEU 61 0.500 5.453 -2.633 468 HG LEU 61 HG LEU 61 0.289 7.917 -4.411 469 HD11 LEU 61 HD11 LEU 61 2.496 8.534 -3.561 470 HD12 LEU 61 HD12 LEU 61 2.458 7.177 -2.432 471 HD13 LEU 61 HD13 LEU 61 1.301 8.502 -2.266 472 HD21 LEU 61 HD21 LEU 61 2.183 5.546 -4.496 473 HD22 LEU 61 HD22 LEU 61 2.298 6.988 -5.511 474 HD23 LEU 61 HD23 LEU 61 0.908 5.915 -5.661 475 H GLU 62 H GLU 62 -2.969 5.982 -2.096 476 HA GLU 62 HA GLU 62 -2.909 3.524 -0.677 477 HB2 GLU 62 HB2 GLU 62 -3.601 5.815 0.199 478 HB3 GLU 62 HB3 GLU 62 -5.102 5.639 -0.697 479 HG2 GLU 62 HG2 GLU 62 -5.593 3.584 0.670 480 HG3 GLU 62 HG3 GLU 62 -4.156 3.949 1.628 481 H ASN 63 H ASN 63 -4.877 4.743 -3.334 482 HA ASN 63 HA ASN 63 -6.929 2.776 -3.341 483 HB2 ASN 63 HB2 ASN 63 -7.022 5.005 -4.558 484 HB3 ASN 63 HB3 ASN 63 -5.886 4.361 -5.741 485 HD21 ASN 63 HD21 ASN 63 -7.176 4.262 -7.528 486 HD22 ASN 63 HD22 ASN 63 -8.648 3.366 -7.631 487 H GLN 64 H GLN 64 -3.918 3.128 -5.221 488 HA GLN 64 HA GLN 64 -4.089 0.590 -6.545 489 HB2 GLN 64 HB2 GLN 64 -1.955 2.723 -6.335 490 HB3 GLN 64 HB3 GLN 64 -1.541 1.157 -7.012 491 HG2 GLN 64 HG2 GLN 64 -2.048 2.726 -8.797 492 HG3 GLN 64 HG3 GLN 64 -3.241 1.431 -8.762 493 HE21 GLN 64 HE21 GLN 64 -2.669 4.808 -8.216 494 HE22 GLN 64 HE22 GLN 64 -4.320 5.292 -8.104 495 H PHE 65 H PHE 65 -2.767 1.644 -3.516 496 HA PHE 65 HA PHE 65 -1.034 -0.553 -2.973 497 HB2 PHE 65 HB2 PHE 65 -0.568 1.368 -1.706 498 HB3 PHE 65 HB3 PHE 65 -2.260 1.734 -1.437 499 HD1 PHE 65 HD1 PHE 65 -2.980 1.599 0.758 500 HD2 PHE 65 HD2 PHE 65 0.162 -1.000 -0.545 501 HE1 PHE 65 HE1 PHE 65 -2.805 0.668 3.014 502 HE2 PHE 65 HE2 PHE 65 0.313 -1.918 1.718 503 HZ PHE 65 HZ PHE 65 -1.169 -1.097 3.491 504 H ASN 66 H ASN 66 -4.397 0.195 -2.040 505 HA ASN 66 HA ASN 66 -4.970 -2.274 -0.733 506 HB2 ASN 66 HB2 ASN 66 -6.784 -0.135 -1.939 507 HB3 ASN 66 HB3 ASN 66 -7.411 -1.545 -1.091 508 HD21 ASN 66 HD21 ASN 66 -8.421 -0.068 0.355 509 HD22 ASN 66 HD22 ASN 66 -7.525 0.700 1.614 510 H GLU 67 H GLU 67 -5.281 -1.118 -4.058 511 HA GLU 67 HA GLU 67 -6.889 -3.244 -5.054 512 HB2 GLU 67 HB2 GLU 67 -6.710 -1.019 -6.166 513 HB3 GLU 67 HB3 GLU 67 -5.033 -1.360 -6.565 514 HG2 GLU 67 HG2 GLU 67 -6.512 -1.676 -8.501 515 HG3 GLU 67 HG3 GLU 67 -5.702 -3.177 -8.048 516 H THR 68 H THR 68 -3.362 -2.603 -5.280 517 HA THR 68 HA THR 68 -2.572 -4.921 -6.642 518 HB THR 68 HB THR 68 -1.018 -3.188 -4.674 519 HG1 THR 68 HG1 THR 68 -1.718 -2.309 -6.754 520 HG21 THR 68 HG21 THR 68 1.069 -4.195 -5.577 521 HG22 THR 68 HG22 THR 68 0.106 -5.357 -6.494 522 HG23 THR 68 HG23 THR 68 0.093 -5.395 -4.729 523 H ASN 69 H ASN 69 -2.980 -4.265 -3.176 524 HA ASN 69 HA ASN 69 -1.976 -6.659 -2.132 525 HB2 ASN 69 HB2 ASN 69 -2.444 -4.689 -0.716 526 HB3 ASN 69 HB3 ASN 69 -4.173 -4.869 -1.008 527 HD21 ASN 69 HD21 ASN 69 -1.402 -6.783 0.159 528 HD22 ASN 69 HD22 ASN 69 -2.260 -7.555 1.435 529 H ARG 70 H ARG 70 -5.331 -5.802 -3.073 530 HA ARG 70 HA ARG 70 -6.638 -8.222 -2.581 531 HB2 ARG 70 HB2 ARG 70 -7.111 -6.128 -4.740 532 HB3 ARG 70 HB3 ARG 70 -8.193 -7.502 -4.516 533 HG2 ARG 70 HG2 ARG 70 -8.750 -6.753 -2.276 534 HG3 ARG 70 HG3 ARG 70 -7.593 -5.420 -2.392 535 HD2 ARG 70 HD2 ARG 70 -8.912 -4.419 -4.210 536 HD3 ARG 70 HD3 ARG 70 -10.042 -5.780 -4.158 537 HE ARG 70 HE ARG 70 -9.723 -4.357 -1.659 538 HH11 ARG 70 HH11 ARG 70 -11.625 -4.563 -4.609 539 HH12 ARG 70 HH12 ARG 70 -12.987 -3.736 -3.937 540 HH21 ARG 70 HH21 ARG 70 -11.503 -3.231 -0.800 541 HH22 ARG 70 HH22 ARG 70 -12.915 -2.982 -1.774 542 H LEU 71 H LEU 71 -4.969 -7.130 -5.528 543 HA LEU 71 HA LEU 71 -5.489 -9.293 -7.225 544 HB2 LEU 71 HB2 LEU 71 -3.054 -7.466 -7.172 545 HB3 LEU 71 HB3 LEU 71 -3.500 -8.498 -8.524 546 HG LEU 71 HG LEU 71 -5.134 -6.148 -7.486 547 HD11 LEU 71 HD11 LEU 71 -3.088 -5.406 -8.575 548 HD12 LEU 71 HD12 LEU 71 -4.503 -5.010 -9.545 549 HD13 LEU 71 HD13 LEU 71 -3.476 -6.372 -10.004 550 HD21 LEU 71 HD21 LEU 71 -6.593 -7.870 -8.425 551 HD22 LEU 71 HD22 LEU 71 -5.630 -7.910 -9.906 552 HD23 LEU 71 HD23 LEU 71 -6.538 -6.458 -9.473 553 H LEU 72 H LEU 72 -3.011 -8.879 -4.764 554 HA LEU 72 HA LEU 72 -1.409 -11.170 -5.425 555 HB2 LEU 72 HB2 LEU 72 -1.648 -9.555 -2.869 556 HB3 LEU 72 HB3 LEU 72 -0.399 -10.755 -3.172 557 HG LEU 72 HG LEU 72 -0.742 -8.281 -4.903 558 HD11 LEU 72 HD11 LEU 72 1.107 -8.615 -2.534 559 HD12 LEU 72 HD12 LEU 72 -0.340 -7.606 -2.579 560 HD13 LEU 72 HD13 LEU 72 1.025 -7.228 -3.630 561 HD21 LEU 72 HD21 LEU 72 1.560 -8.760 -5.595 562 HD22 LEU 72 HD22 LEU 72 0.502 -10.124 -5.944 563 HD23 LEU 72 HD23 LEU 72 1.593 -10.194 -4.558 564 H HIS 73 H HIS 73 -4.024 -10.521 -3.076 565 HA HIS 73 HA HIS 73 -3.958 -13.070 -1.787 566 HB2 HIS 73 HB2 HIS 73 -6.250 -11.052 -1.996 567 HB3 HIS 73 HB3 HIS 73 -6.308 -12.495 -0.993 568 HD1 HIS 73 HD1 HIS 73 -4.212 -12.535 0.884 569 HD2 HIS 73 HD2 HIS 73 -5.445 -8.864 -0.593 570 HE1 HIS 73 HE1 HIS 73 -3.378 -10.816 2.512 571 HE2 HIS 73 HE2 HIS 73 -4.383 -8.652 1.728 572 H ILE 74 H ILE 74 -5.631 -11.806 -4.607 573 HA ILE 74 HA ILE 74 -7.313 -14.073 -5.146 574 HB ILE 74 HB ILE 74 -6.468 -11.715 -6.907 575 HG12 ILE 74 HG12 ILE 74 -9.132 -12.140 -5.475 576 HG13 ILE 74 HG13 ILE 74 -7.820 -11.179 -4.814 577 HG21 ILE 74 HG21 ILE 74 -7.167 -13.579 -8.350 578 HG22 ILE 74 HG22 ILE 74 -8.357 -12.278 -8.402 579 HG23 ILE 74 HG23 ILE 74 -8.680 -13.731 -7.453 580 HD11 ILE 74 HD11 ILE 74 -9.460 -9.735 -5.784 581 HD12 ILE 74 HD12 ILE 74 -9.380 -10.585 -7.331 582 HD13 ILE 74 HD13 ILE 74 -7.990 -9.658 -6.756 583 H LYS 75 H LYS 75 -4.108 -12.982 -6.139 584 HA LYS 75 HA LYS 75 -3.584 -14.835 -8.215 585 HB2 LYS 75 HB2 LYS 75 -2.315 -12.753 -7.879 586 HB3 LYS 75 HB3 LYS 75 -1.687 -13.353 -6.349 587 HG2 LYS 75 HG2 LYS 75 -0.453 -15.128 -7.565 588 HG3 LYS 75 HG3 LYS 75 -1.082 -14.503 -9.096 589 HD2 LYS 75 HD2 LYS 75 0.741 -13.028 -7.151 590 HD3 LYS 75 HD3 LYS 75 1.204 -13.691 -8.718 591 HE2 LYS 75 HE2 LYS 75 -0.330 -12.083 -9.834 592 HE3 LYS 75 HE3 LYS 75 -0.759 -11.413 -8.258 593 HZ1 LYS 75 HZ1 LYS 75 1.937 -11.373 -9.508 594 HZ2 LYS 75 HZ2 LYS 75 1.585 -10.815 -7.951 595 HZ3 LYS 75 HZ3 LYS 75 0.902 -10.054 -9.294 596 H GLN 76 H GLN 76 -2.764 -14.869 -4.737 597 HA GLN 76 HA GLN 76 -1.515 -17.453 -4.830 598 HB2 GLN 76 HB2 GLN 76 -1.096 -17.205 -2.516 599 HB3 GLN 76 HB3 GLN 76 -1.014 -15.568 -3.150 600 HG2 GLN 76 HG2 GLN 76 -3.229 -15.068 -2.265 601 HG3 GLN 76 HG3 GLN 76 -3.417 -16.733 -1.720 602 HE21 GLN 76 HE21 GLN 76 -0.463 -14.756 -1.400 603 HE22 GLN 76 HE22 GLN 76 -0.507 -14.707 0.326 604 H HIS 77 H HIS 77 -4.743 -16.260 -4.367 605 HA HIS 77 HA HIS 77 -6.036 -18.333 -3.019 606 HB2 HIS 77 HB2 HIS 77 -7.074 -16.140 -3.455 607 HB3 HIS 77 HB3 HIS 77 -7.104 -16.462 -5.179 608 HD1 HIS 77 HD1 HIS 77 -8.881 -17.265 -1.979 609 HD2 HIS 77 HD2 HIS 77 -9.266 -18.030 -6.045 610 HE1 HIS 77 HE1 HIS 77 -11.201 -18.167 -2.278 611 HE2 HIS 77 HE2 HIS 77 -11.310 -18.843 -4.701 612 H GLU 78 H GLU 78 -5.094 -18.033 -6.404 613 HA GLU 78 HA GLU 78 -6.626 -20.142 -7.491 614 HB2 GLU 78 HB2 GLU 78 -3.872 -19.275 -8.461 615 HB3 GLU 78 HB3 GLU 78 -5.156 -20.023 -9.412 616 HG2 GLU 78 HG2 GLU 78 -5.114 -17.221 -8.252 617 HG3 GLU 78 HG3 GLU 78 -5.009 -17.668 -9.954 618 H GLU 79 H GLU 79 -3.430 -20.067 -5.971 619 HA GLU 79 HA GLU 79 -2.812 -22.848 -6.311 620 HB2 GLU 79 HB2 GLU 79 -1.606 -20.769 -4.433 621 HB3 GLU 79 HB3 GLU 79 -0.939 -22.378 -4.712 622 HG2 GLU 79 HG2 GLU 79 -0.575 -21.803 -7.097 623 HG3 GLU 79 HG3 GLU 79 -1.220 -20.185 -6.801 624 H VAL 80 H VAL 80 -4.353 -20.887 -3.823 625 HA VAL 80 HA VAL 80 -4.501 -22.891 -1.802 626 HB VAL 80 HB VAL 80 -6.210 -20.374 -2.146 627 HG11 VAL 80 HG11 VAL 80 -6.727 -20.598 0.269 628 HG12 VAL 80 HG12 VAL 80 -5.828 -22.116 0.325 629 HG13 VAL 80 HG13 VAL 80 -7.308 -22.001 -0.631 630 HG21 VAL 80 HG21 VAL 80 -3.807 -19.852 -1.919 631 HG22 VAL 80 HG22 VAL 80 -3.715 -20.833 -0.458 632 HG23 VAL 80 HG23 VAL 80 -4.683 -19.355 -0.468 633 H GLU 81 H GLU 81 -6.536 -22.067 -4.584 634 HA GLU 81 HA GLU 81 -8.740 -23.794 -3.901 635 HB2 GLU 81 HB2 GLU 81 -7.952 -22.642 -6.619 636 HB3 GLU 81 HB3 GLU 81 -9.458 -23.492 -6.274 637 HG2 GLU 81 HG2 GLU 81 -8.570 -20.797 -5.238 638 HG3 GLU 81 HG3 GLU 81 -9.909 -21.144 -6.322 639 H LYS 82 H LYS 82 -5.819 -24.031 -5.836 640 HA LYS 82 HA LYS 82 -6.274 -26.476 -7.124 641 HB2 LYS 82 HB2 LYS 82 -4.512 -24.759 -7.695 642 HB3 LYS 82 HB3 LYS 82 -3.584 -25.286 -6.301 643 HG2 LYS 82 HG2 LYS 82 -4.337 -27.255 -8.477 644 HG3 LYS 82 HG3 LYS 82 -2.983 -26.155 -8.709 645 HD2 LYS 82 HD2 LYS 82 -3.224 -28.184 -6.442 646 HD3 LYS 82 HD3 LYS 82 -2.271 -28.401 -7.912 647 HE2 LYS 82 HE2 LYS 82 -0.884 -26.453 -7.293 648 HE3 LYS 82 HE3 LYS 82 -1.826 -26.247 -5.815 649 HZ1 LYS 82 HZ1 LYS 82 -1.080 -28.445 -5.103 650 HZ2 LYS 82 HZ2 LYS 82 0.222 -27.405 -5.380 651 HZ3 LYS 82 HZ3 LYS 82 -0.152 -28.602 -6.512 652 H ASP 83 H ASP 83 -4.487 -25.730 -4.113 653 HA ASP 83 HA ASP 83 -4.022 -28.486 -3.458 654 HB2 ASP 83 HB2 ASP 83 -3.565 -25.922 -1.895 655 HB3 ASP 83 HB3 ASP 83 -3.169 -27.512 -1.254 656 H LYS 84 H LYS 84 -6.569 -26.178 -2.662 657 HA LYS 84 HA LYS 84 -7.698 -27.450 -0.415 658 HB2 LYS 84 HB2 LYS 84 -8.332 -25.174 -1.344 659 HB3 LYS 84 HB3 LYS 84 -9.236 -25.998 -2.608 660 HG2 LYS 84 HG2 LYS 84 -10.631 -27.059 -0.772 661 HG3 LYS 84 HG3 LYS 84 -9.799 -26.007 0.376 662 HD2 LYS 84 HD2 LYS 84 -11.628 -25.187 -1.910 663 HD3 LYS 84 HD3 LYS 84 -11.912 -24.990 -0.181 664 HE2 LYS 84 HE2 LYS 84 -9.860 -23.512 -1.863 665 HE3 LYS 84 HE3 LYS 84 -11.330 -22.850 -1.157 666 HZ1 LYS 84 HZ1 LYS 84 -8.963 -23.837 0.333 667 HZ2 LYS 84 HZ2 LYS 84 -10.395 -23.305 1.047 668 HZ3 LYS 84 HZ3 LYS 84 -9.446 -22.226 0.159 669 H LYS 85 H LYS 85 -8.353 -27.908 -3.900 670 HA LYS 85 HA LYS 85 -9.825 -30.426 -3.330 671 HB2 LYS 85 HB2 LYS 85 -10.037 -28.553 -5.731 672 HB3 LYS 85 HB3 LYS 85 -10.810 -30.126 -5.647 673 HG2 LYS 85 HG2 LYS 85 -12.591 -28.809 -5.037 674 HG3 LYS 85 HG3 LYS 85 -11.920 -29.122 -3.441 675 HD2 LYS 85 HD2 LYS 85 -12.514 -26.769 -3.635 676 HD3 LYS 85 HD3 LYS 85 -10.759 -26.910 -3.521 677 HE2 LYS 85 HE2 LYS 85 -10.535 -26.537 -5.916 678 HE3 LYS 85 HE3 LYS 85 -12.286 -26.578 -6.121 679 HZ1 LYS 85 HZ1 LYS 85 -12.471 -24.574 -4.808 680 HZ2 LYS 85 HZ2 LYS 85 -11.438 -24.327 -6.118 681 HZ3 LYS 85 HZ3 LYS 85 -10.799 -24.528 -4.569 682 H ALA 86 H ALA 86 -6.914 -30.265 -3.363 683 HA ALA 86 HA ALA 86 -5.954 -31.275 -5.909 684 HB1 ALA 86 HB1 ALA 86 -3.786 -31.452 -4.782 685 HB2 ALA 86 HB2 ALA 86 -4.559 -31.011 -3.255 686 HB3 ALA 86 HB3 ALA 86 -4.518 -29.859 -4.587 687 H LYS 87 H LYS 87 -7.892 -32.815 -3.917 688 HA LYS 87 HA LYS 87 -8.581 -34.919 -3.710 689 HB2 LYS 87 HB2 LYS 87 -8.289 -35.046 -6.126 690 HB3 LYS 87 HB3 LYS 87 -6.598 -35.480 -5.936 691 HG2 LYS 87 HG2 LYS 87 -7.223 -37.631 -4.947 692 HG3 LYS 87 HG3 LYS 87 -8.930 -37.178 -4.984 693 HD2 LYS 87 HD2 LYS 87 -8.909 -37.148 -7.435 694 HD3 LYS 87 HD3 LYS 87 -7.174 -37.490 -7.456 695 HE2 LYS 87 HE2 LYS 87 -8.531 -39.510 -7.924 696 HE3 LYS 87 HE3 LYS 87 -7.573 -39.686 -6.454 697 HZ1 LYS 87 HZ1 LYS 87 -10.479 -39.086 -6.609 698 HZ2 LYS 87 HZ2 LYS 87 -9.591 -39.109 -5.176 699 HZ3 LYS 87 HZ3 LYS 87 -9.771 -40.528 -6.081 700 H GLN 88 H GLN 88 -8.090 -35.455 -1.689 701 HA GLN 88 HA GLN 88 -7.175 -36.354 0.138 702 HB2 GLN 88 HB2 GLN 88 -5.096 -37.594 -1.705 703 HB3 GLN 88 HB3 GLN 88 -5.238 -37.953 0.015 704 HG2 GLN 88 HG2 GLN 88 -7.268 -38.577 -2.159 705 HG3 GLN 88 HG3 GLN 88 -6.277 -39.728 -1.263 706 HE21 GLN 88 HE21 GLN 88 -6.774 -40.106 0.969 707 HE22 GLN 88 HE22 GLN 88 -8.351 -39.769 1.595 708 H GLN 89 H GLN 89 -5.442 -34.196 -1.828 709 HA GLN 89 HA GLN 89 -3.658 -33.357 0.359 710 HB2 GLN 89 HB2 GLN 89 -3.826 -32.615 -2.588 711 HB3 GLN 89 HB3 GLN 89 -2.848 -31.707 -1.464 712 HG2 GLN 89 HG2 GLN 89 -1.407 -33.175 -2.657 713 HG3 GLN 89 HG3 GLN 89 -1.533 -33.790 -1.013 714 HE21 GLN 89 HE21 GLN 89 -2.493 -35.802 -0.667 715 HE22 GLN 89 HE22 GLN 89 -2.909 -36.879 -1.953 716 H LYS 90 H LYS 90 -3.950 -31.329 1.317 717 HA LYS 90 HA LYS 90 -6.298 -29.671 0.584 718 HB2 LYS 90 HB2 LYS 90 -5.604 -30.614 3.410 719 HB3 LYS 90 HB3 LYS 90 -6.842 -29.417 3.029 720 HG2 LYS 90 HG2 LYS 90 -8.108 -31.138 1.774 721 HG3 LYS 90 HG3 LYS 90 -6.869 -32.336 2.173 722 HD2 LYS 90 HD2 LYS 90 -7.368 -32.070 4.574 723 HD3 LYS 90 HD3 LYS 90 -8.586 -30.844 4.204 724 HE2 LYS 90 HE2 LYS 90 -9.653 -33.011 4.642 725 HE3 LYS 90 HE3 LYS 90 -9.895 -32.546 2.957 726 HZ1 LYS 90 HZ1 LYS 90 -8.034 -34.020 2.356 727 HZ2 LYS 90 HZ2 LYS 90 -9.294 -34.858 3.102 728 HZ3 LYS 90 HZ3 LYS 90 -7.892 -34.497 3.974 729 H THR 91 H THR 91 -6.139 -27.434 1.331 730 HA THR 91 HA THR 91 -3.469 -26.417 1.914 731 HB THR 91 HB THR 91 -4.729 -24.205 2.285 732 HG1 THR 91 HG1 THR 91 -6.835 -25.606 2.488 733 HG21 THR 91 HG21 THR 91 -5.089 -25.518 -0.431 734 HG22 THR 91 HG22 THR 91 -3.610 -24.752 0.146 735 HG23 THR 91 HG23 THR 91 -5.058 -23.781 -0.099 736 H LEU 92 H LEU 92 -2.993 -27.653 3.750 737 HA LEU 92 HA LEU 92 -4.565 -27.557 6.169 738 HB2 LEU 92 HB2 LEU 92 -2.960 -29.450 5.280 739 HB3 LEU 92 HB3 LEU 92 -1.679 -28.494 5.994 740 HG LEU 92 HG LEU 92 -4.033 -29.620 7.584 741 HD11 LEU 92 HD11 LEU 92 -2.487 -31.351 8.395 742 HD12 LEU 92 HD12 LEU 92 -1.238 -30.766 7.291 743 HD13 LEU 92 HD13 LEU 92 -2.732 -31.464 6.656 744 HD21 LEU 92 HD21 LEU 92 -2.985 -27.686 8.681 745 HD22 LEU 92 HD22 LEU 92 -1.399 -28.447 8.549 746 HD23 LEU 92 HD23 LEU 92 -2.647 -29.164 9.574 747 H LYS 93 H LYS 93 -4.695 -25.250 6.226 748 HA LYS 93 HA LYS 93 -2.323 -23.686 6.934 749 HB2 LYS 93 HB2 LYS 93 -5.226 -22.827 6.490 750 HB3 LYS 93 HB3 LYS 93 -3.885 -21.735 6.842 751 HG2 LYS 93 HG2 LYS 93 -2.762 -22.493 4.739 752 HG3 LYS 93 HG3 LYS 93 -4.171 -23.486 4.372 753 HD2 LYS 93 HD2 LYS 93 -4.270 -20.456 4.696 754 HD3 LYS 93 HD3 LYS 93 -4.035 -21.268 3.151 755 HE2 LYS 93 HE2 LYS 93 -6.341 -20.708 3.254 756 HE3 LYS 93 HE3 LYS 93 -6.264 -22.439 3.556 757 HZ1 LYS 93 HZ1 LYS 93 -6.566 -22.016 5.909 758 HZ2 LYS 93 HZ2 LYS 93 -7.810 -21.286 5.030 759 HZ3 LYS 93 HZ3 LYS 93 -6.553 -20.346 5.648 760 H GLN 94 H GLN 94 -1.949 -24.881 8.827 761 HA GLN 94 HA GLN 94 -3.738 -24.837 11.080 762 HB2 GLN 94 HB2 GLN 94 -1.725 -25.719 12.349 763 HB3 GLN 94 HB3 GLN 94 -2.226 -26.697 10.976 764 HG2 GLN 94 HG2 GLN 94 -0.375 -25.832 9.634 765 HG3 GLN 94 HG3 GLN 94 0.097 -24.739 10.936 766 HE21 GLN 94 HE21 GLN 94 1.666 -26.808 9.623 767 HE22 GLN 94 HE22 GLN 94 2.173 -27.900 10.861 768 H SER 95 H SER 95 -4.240 -22.660 11.102 769 HA SER 95 HA SER 95 -2.543 -20.879 12.647 770 HB2 SER 95 HB2 SER 95 -3.500 -20.094 9.842 771 HB3 SER 95 HB3 SER 95 -2.650 -19.043 10.977 772 HG SER 95 HG SER 95 -1.018 -20.943 10.804 773 H ASP 96 H ASP 96 -3.976 -20.206 14.170 774 HA ASP 96 HA ASP 96 -6.809 -20.348 13.825 775 HB2 ASP 96 HB2 ASP 96 -7.000 -19.380 16.071 776 HB3 ASP 96 HB3 ASP 96 -5.797 -20.660 16.051 777 H THR 97 H THR 97 -7.944 -19.005 12.618 778 HA THR 97 HA THR 97 -6.986 -16.320 11.939 779 HB THR 97 HB THR 97 -8.978 -16.374 10.318 780 HG1 THR 97 HG1 THR 97 -10.223 -17.976 11.371 781 HG21 THR 97 HG21 THR 97 -6.692 -16.938 9.548 782 HG22 THR 97 HG22 THR 97 -7.904 -17.913 8.714 783 HG23 THR 97 HG23 THR 97 -6.948 -18.621 10.017 784 H LYS 98 H LYS 98 -7.847 -14.500 12.705 785 HA LYS 98 HA LYS 98 -9.060 -12.971 13.816 786 HB2 LYS 98 HB2 LYS 98 -11.363 -14.957 13.602 787 HB3 LYS 98 HB3 LYS 98 -11.521 -13.258 14.048 788 HG2 LYS 98 HG2 LYS 98 -10.727 -12.569 11.840 789 HG3 LYS 98 HG3 LYS 98 -10.464 -14.254 11.378 790 HD2 LYS 98 HD2 LYS 98 -12.936 -14.652 11.622 791 HD3 LYS 98 HD3 LYS 98 -13.151 -12.932 11.974 792 HE2 LYS 98 HE2 LYS 98 -12.261 -12.360 9.752 793 HE3 LYS 98 HE3 LYS 98 -11.995 -14.067 9.402 794 HZ1 LYS 98 HZ1 LYS 98 -14.631 -12.781 9.878 795 HZ2 LYS 98 HZ2 LYS 98 -14.380 -14.423 9.563 796 HZ3 LYS 98 HZ3 LYS 98 -14.017 -13.273 8.378 797 H VAL 99 H VAL 99 -10.830 -12.949 15.890 798 HA VAL 99 HA VAL 99 -9.335 -14.301 18.049 799 HB VAL 99 HB VAL 99 -10.381 -12.572 19.578 800 HG11 VAL 99 HG11 VAL 99 -8.845 -10.738 18.918 801 HG12 VAL 99 HG12 VAL 99 -8.619 -11.501 17.342 802 HG13 VAL 99 HG13 VAL 99 -8.065 -12.318 18.805 803 HG21 VAL 99 HG21 VAL 99 -12.315 -11.890 18.192 804 HG22 VAL 99 HG22 VAL 99 -11.222 -11.202 16.987 805 HG23 VAL 99 HG23 VAL 99 -11.311 -10.498 18.605 Start of MODEL 16 1 H2 GLY 1 H2 GLY 1 -2.079 11.198 21.965 2 H GLY 1 H1 GLY 1 -1.476 9.627 21.844 3 H3 GLY 1 H3 GLY 1 -2.911 10.046 21.054 4 HA2 GLY 1 HA2 GLY 1 -3.339 8.748 23.059 5 HA3 GLY 1 HA3 GLY 1 -2.515 9.992 23.991 6 H VAL 2 H VAL 2 -5.378 8.958 23.906 7 HA VAL 2 HA VAL 2 -7.517 9.634 24.013 8 HB VAL 2 HB VAL 2 -6.362 12.359 24.775 9 HG11 VAL 2 HG11 VAL 2 -8.781 12.447 24.323 10 HG12 VAL 2 HG12 VAL 2 -8.471 12.673 26.046 11 HG13 VAL 2 HG13 VAL 2 -9.057 11.117 25.450 12 HG21 VAL 2 HG21 VAL 2 -5.364 10.575 26.171 13 HG22 VAL 2 HG22 VAL 2 -6.977 9.994 26.595 14 HG23 VAL 2 HG23 VAL 2 -6.448 11.591 27.127 15 H GLU 3 H GLU 3 -7.691 9.310 21.683 16 HA GLU 3 HA GLU 3 -7.480 11.564 19.898 17 HB2 GLU 3 HB2 GLU 3 -6.984 9.266 19.102 18 HB3 GLU 3 HB3 GLU 3 -8.659 8.795 19.374 19 HG2 GLU 3 HG2 GLU 3 -8.123 9.271 16.971 20 HG3 GLU 3 HG3 GLU 3 -9.433 10.264 17.612 21 H LYS 4 H LYS 4 -8.812 13.064 20.819 22 HA LYS 4 HA LYS 4 -11.620 12.976 20.116 23 HB2 LYS 4 HB2 LYS 4 -11.603 11.898 22.380 24 HB3 LYS 4 HB3 LYS 4 -10.782 13.310 23.042 25 HG2 LYS 4 HG2 LYS 4 -12.766 14.706 22.445 26 HG3 LYS 4 HG3 LYS 4 -13.581 13.252 21.854 27 HD2 LYS 4 HD2 LYS 4 -13.504 12.273 24.116 28 HD3 LYS 4 HD3 LYS 4 -12.635 13.691 24.715 29 HE2 LYS 4 HE2 LYS 4 -15.471 13.647 23.623 30 HE3 LYS 4 HE3 LYS 4 -15.002 13.840 25.313 31 HZ1 LYS 4 HZ1 LYS 4 -13.950 15.930 24.768 32 HZ2 LYS 4 HZ2 LYS 4 -15.563 15.954 24.264 33 HZ3 LYS 4 HZ3 LYS 4 -14.329 15.748 23.130 34 H THR 5 H THR 5 -12.362 15.027 19.726 35 HA THR 5 HA THR 5 -10.540 17.241 19.736 36 HB THR 5 HB THR 5 -12.158 17.121 17.942 37 HG1 THR 5 HG1 THR 5 -13.340 19.294 18.988 38 HG21 THR 5 HG21 THR 5 -14.020 15.961 19.125 39 HG22 THR 5 HG22 THR 5 -14.581 17.391 18.256 40 HG23 THR 5 HG23 THR 5 -14.370 17.450 20.008 41 H ALA 6 H ALA 6 -10.181 18.642 21.318 42 HA ALA 6 HA ALA 6 -11.963 18.828 23.677 43 HB1 ALA 6 HB1 ALA 6 -9.700 17.966 24.156 44 HB2 ALA 6 HB2 ALA 6 -9.951 19.532 24.928 45 HB3 ALA 6 HB3 ALA 6 -8.982 19.418 23.455 46 H GLY 7 H GLY 7 -11.743 20.398 20.918 47 HA2 GLY 7 HA2 GLY 7 -12.943 22.750 21.577 48 HA3 GLY 7 HA3 GLY 7 -11.232 23.132 21.749 49 H GLU 8 H GLU 8 -11.239 20.859 19.410 50 HA GLU 8 HA GLU 8 -11.179 20.712 17.178 51 HB2 GLU 8 HB2 GLU 8 -12.863 23.245 17.166 52 HB3 GLU 8 HB3 GLU 8 -12.535 22.266 15.736 53 HG2 GLU 8 HG2 GLU 8 -13.853 20.456 16.525 54 HG3 GLU 8 HG3 GLU 8 -13.870 21.061 18.183 55 H THR 9 H THR 9 -9.945 21.443 15.376 56 HA THR 9 HA THR 9 -7.807 23.316 16.086 57 HB THR 9 HB THR 9 -8.051 21.323 13.787 58 HG1 THR 9 HG1 THR 9 -6.618 21.273 16.253 59 HG21 THR 9 HG21 THR 9 -5.617 21.689 13.440 60 HG22 THR 9 HG22 THR 9 -5.637 22.971 14.650 61 HG23 THR 9 HG23 THR 9 -6.532 23.173 13.142 62 H SER 10 H SER 10 -8.644 25.337 15.757 63 HA SER 10 HA SER 10 -9.768 26.217 13.213 64 HB2 SER 10 HB2 SER 10 -10.487 27.238 15.392 65 HB3 SER 10 HB3 SER 10 -8.851 27.844 15.644 66 HG SER 10 HG SER 10 -10.845 28.953 14.266 67 H ALA 11 H ALA 11 -8.634 28.386 12.374 68 HA ALA 11 HA ALA 11 -6.953 29.343 11.200 69 HB1 ALA 11 HB1 ALA 11 -5.222 28.311 13.483 70 HB2 ALA 11 HB2 ALA 11 -6.085 29.849 13.448 71 HB3 ALA 11 HB3 ALA 11 -4.754 29.563 12.326 72 H THR 12 H THR 12 -7.737 26.811 10.335 73 HA THR 12 HA THR 12 -5.670 24.945 9.903 74 HB THR 12 HB THR 12 -8.221 25.313 8.269 75 HG1 THR 12 HG1 THR 12 -7.660 24.021 10.740 76 HG21 THR 12 HG21 THR 12 -7.983 22.890 7.781 77 HG22 THR 12 HG22 THR 12 -6.445 22.858 8.643 78 HG23 THR 12 HG23 THR 12 -6.603 23.797 7.156 79 H ASP 13 H ASP 13 -3.950 26.171 9.224 80 HA ASP 13 HA ASP 13 -3.810 27.293 6.529 81 HB2 ASP 13 HB2 ASP 13 -2.752 28.370 8.597 82 HB3 ASP 13 HB3 ASP 13 -1.660 26.998 8.693 83 H THR 14 H THR 14 -1.707 26.558 5.303 84 HA THR 14 HA THR 14 -1.835 23.827 4.639 85 HB THR 14 HB THR 14 0.457 25.779 4.114 86 HG1 THR 14 HG1 THR 14 -1.765 26.372 3.420 87 HG21 THR 14 HG21 THR 14 0.928 24.383 2.119 88 HG22 THR 14 HG22 THR 14 -0.356 23.268 2.585 89 HG23 THR 14 HG23 THR 14 1.082 23.427 3.595 90 H GLY 15 H GLY 15 0.459 25.652 6.701 91 HA2 GLY 15 HA2 GLY 15 2.247 23.560 7.344 92 HA3 GLY 15 HA3 GLY 15 2.012 25.030 8.268 93 H LYS 16 H LYS 16 -0.923 24.285 8.614 94 HA LYS 16 HA LYS 16 -0.698 22.777 11.050 95 HB2 LYS 16 HB2 LYS 16 -3.217 23.514 9.507 96 HB3 LYS 16 HB3 LYS 16 -3.153 22.953 11.179 97 HG2 LYS 16 HG2 LYS 16 -2.061 25.570 10.102 98 HG3 LYS 16 HG3 LYS 16 -3.524 25.360 11.069 99 HD2 LYS 16 HD2 LYS 16 -2.086 24.528 12.959 100 HD3 LYS 16 HD3 LYS 16 -0.656 24.878 11.978 101 HE2 LYS 16 HE2 LYS 16 -1.359 27.274 11.886 102 HE3 LYS 16 HE3 LYS 16 -2.712 26.896 12.958 103 HZ1 LYS 16 HZ1 LYS 16 -1.109 26.179 14.628 104 HZ2 LYS 16 HZ2 LYS 16 -0.859 27.787 14.191 105 HZ3 LYS 16 HZ3 LYS 16 0.169 26.581 13.602 106 H ARG 17 H ARG 17 -1.465 22.072 7.723 107 HA ARG 17 HA ARG 17 -2.716 19.532 8.200 108 HB2 ARG 17 HB2 ARG 17 -1.684 20.712 5.593 109 HB3 ARG 17 HB3 ARG 17 -2.699 19.277 5.747 110 HG2 ARG 17 HG2 ARG 17 -4.335 20.975 7.009 111 HG3 ARG 17 HG3 ARG 17 -3.436 22.185 6.085 112 HD2 ARG 17 HD2 ARG 17 -5.458 21.505 4.876 113 HD3 ARG 17 HD3 ARG 17 -4.019 20.977 3.993 114 HE ARG 17 HE ARG 17 -5.019 18.959 5.781 115 HH11 ARG 17 HH11 ARG 17 -5.510 20.281 2.548 116 HH12 ARG 17 HH12 ARG 17 -6.221 18.823 1.941 117 HH21 ARG 17 HH21 ARG 17 -5.934 17.079 4.970 118 HH22 ARG 17 HH22 ARG 17 -6.463 17.001 3.317 119 H GLU 18 H GLU 18 0.556 20.592 7.140 120 HA GLU 18 HA GLU 18 1.671 18.091 6.601 121 HB2 GLU 18 HB2 GLU 18 2.916 20.670 7.572 122 HB3 GLU 18 HB3 GLU 18 3.901 19.221 7.457 123 HG2 GLU 18 HG2 GLU 18 4.255 20.409 5.441 124 HG3 GLU 18 HG3 GLU 18 3.241 19.029 5.037 125 H LYS 19 H LYS 19 1.093 19.574 9.736 126 HA LYS 19 HA LYS 19 2.550 17.876 11.437 127 HB2 LYS 19 HB2 LYS 19 -0.175 19.158 11.954 128 HB3 LYS 19 HB3 LYS 19 0.919 18.545 13.192 129 HG2 LYS 19 HG2 LYS 19 2.519 20.295 12.766 130 HG3 LYS 19 HG3 LYS 19 1.656 20.807 11.308 131 HD2 LYS 19 HD2 LYS 19 -0.292 21.472 12.722 132 HD3 LYS 19 HD3 LYS 19 0.613 21.010 14.167 133 HE2 LYS 19 HE2 LYS 19 1.496 23.157 12.208 134 HE3 LYS 19 HE3 LYS 19 0.615 23.474 13.702 135 HZ1 LYS 19 HZ1 LYS 19 3.287 22.187 13.529 136 HZ2 LYS 19 HZ2 LYS 19 2.448 22.537 14.952 137 HZ3 LYS 19 HZ3 LYS 19 2.994 23.792 13.967 138 H GLN 20 H GLN 20 -0.735 17.633 10.170 139 HA GLN 20 HA GLN 20 -1.423 15.121 11.404 140 HB2 GLN 20 HB2 GLN 20 -2.802 16.620 9.127 141 HB3 GLN 20 HB3 GLN 20 -3.528 15.384 10.159 142 HG2 GLN 20 HG2 GLN 20 -3.392 16.868 12.094 143 HG3 GLN 20 HG3 GLN 20 -2.524 18.074 11.144 144 HE21 GLN 20 HE21 GLN 20 -4.066 19.675 11.521 145 HE22 GLN 20 HE22 GLN 20 -5.642 19.639 10.808 146 H LEU 21 H LEU 21 0.010 16.159 8.451 147 HA LEU 21 HA LEU 21 -0.770 14.005 6.735 148 HB2 LEU 21 HB2 LEU 21 -0.138 16.529 6.262 149 HB3 LEU 21 HB3 LEU 21 1.506 15.938 6.201 150 HG LEU 21 HG LEU 21 -0.692 14.875 4.384 151 HD11 LEU 21 HD11 LEU 21 0.130 16.400 2.654 152 HD12 LEU 21 HD12 LEU 21 1.257 17.127 3.803 153 HD13 LEU 21 HD13 LEU 21 -0.485 17.291 4.044 154 HD21 LEU 21 HD21 LEU 21 2.337 14.749 4.157 155 HD22 LEU 21 HD22 LEU 21 1.196 14.175 2.938 156 HD23 LEU 21 HD23 LEU 21 1.254 13.403 4.521 157 H GLN 22 H GLN 22 2.125 14.844 8.633 158 HA GLN 22 HA GLN 22 3.870 12.841 7.661 159 HB2 GLN 22 HB2 GLN 22 3.815 14.265 10.353 160 HB3 GLN 22 HB3 GLN 22 5.114 13.181 9.850 161 HG2 GLN 22 HG2 GLN 22 5.547 14.679 7.897 162 HG3 GLN 22 HG3 GLN 22 4.323 15.786 8.520 163 HE21 GLN 22 HE21 GLN 22 7.528 14.483 9.002 164 HE22 GLN 22 HE22 GLN 22 8.037 15.654 10.170 165 H GLN 23 H GLN 23 1.557 12.840 10.383 166 HA GLN 23 HA GLN 23 2.081 10.236 11.341 167 HB2 GLN 23 HB2 GLN 23 -0.538 11.803 11.441 168 HB3 GLN 23 HB3 GLN 23 -0.224 10.312 12.331 169 HG2 GLN 23 HG2 GLN 23 1.731 11.562 13.431 170 HG3 GLN 23 HG3 GLN 23 1.039 13.034 12.742 171 HE21 GLN 23 HE21 GLN 23 0.560 10.439 15.050 172 HE22 GLN 23 HE22 GLN 23 -0.714 11.196 15.938 173 H TRP 24 H TRP 24 -0.188 11.491 8.921 174 HA TRP 24 HA TRP 24 -1.545 9.108 8.316 175 HB2 TRP 24 HB2 TRP 24 -2.375 11.385 7.698 176 HB3 TRP 24 HB3 TRP 24 -1.093 11.522 6.498 177 HD1 TRP 24 HD1 TRP 24 -3.092 8.246 6.853 178 HE1 TRP 24 HE1 TRP 24 -4.510 7.901 4.742 179 HE3 TRP 24 HE3 TRP 24 -2.303 12.768 4.573 180 HZ2 TRP 24 HZ2 TRP 24 -5.228 9.334 2.438 181 HZ3 TRP 24 HZ3 TRP 24 -3.413 13.201 2.414 182 HH2 TRP 24 HH2 TRP 24 -4.846 11.516 1.367 183 H LYS 25 H LYS 25 1.433 10.527 6.936 184 HA LYS 25 HA LYS 25 1.884 8.743 4.827 185 HB2 LYS 25 HB2 LYS 25 3.845 10.237 6.612 186 HB3 LYS 25 HB3 LYS 25 4.387 9.223 5.276 187 HG2 LYS 25 HG2 LYS 25 3.088 10.647 3.704 188 HG3 LYS 25 HG3 LYS 25 2.651 11.704 5.058 189 HD2 LYS 25 HD2 LYS 25 5.012 12.250 5.445 190 HD3 LYS 25 HD3 LYS 25 5.519 11.094 4.210 191 HE2 LYS 25 HE2 LYS 25 4.399 12.457 2.486 192 HE3 LYS 25 HE3 LYS 25 3.902 13.612 3.722 193 HZ1 LYS 25 HZ1 LYS 25 5.863 14.347 2.536 194 HZ2 LYS 25 HZ2 LYS 25 6.702 12.959 3.011 195 HZ3 LYS 25 HZ3 LYS 25 6.214 14.083 4.170 196 H ASN 26 H ASN 26 2.977 8.601 8.207 197 HA ASN 26 HA ASN 26 4.370 6.167 8.122 198 HB2 ASN 26 HB2 ASN 26 2.954 7.504 10.471 199 HB3 ASN 26 HB3 ASN 26 4.119 6.186 10.626 200 HD21 ASN 26 HD21 ASN 26 4.160 9.000 11.600 201 HD22 ASN 26 HD22 ASN 26 5.648 9.656 11.023 202 H ASN 27 H ASN 27 0.945 6.868 8.667 203 HA ASN 27 HA ASN 27 0.145 4.266 9.502 204 HB2 ASN 27 HB2 ASN 27 -1.527 6.473 8.225 205 HB3 ASN 27 HB3 ASN 27 -2.172 5.054 9.044 206 HD21 ASN 27 HD21 ASN 27 -0.140 5.175 11.231 207 HD22 ASN 27 HD22 ASN 27 -0.604 6.529 12.198 208 H LEU 28 H LEU 28 0.058 5.943 6.345 209 HA LEU 28 HA LEU 28 -1.119 3.914 4.803 210 HB2 LEU 28 HB2 LEU 28 0.896 6.037 3.947 211 HB3 LEU 28 HB3 LEU 28 -0.024 5.038 2.833 212 HG LEU 28 HG LEU 28 -1.168 7.130 4.722 213 HD11 LEU 28 HD11 LEU 28 0.003 8.108 2.803 214 HD12 LEU 28 HD12 LEU 28 -1.734 8.379 2.702 215 HD13 LEU 28 HD13 LEU 28 -0.976 7.140 1.695 216 HD21 LEU 28 HD21 LEU 28 -2.735 5.274 4.502 217 HD22 LEU 28 HD22 LEU 28 -2.622 5.354 2.741 218 HD23 LEU 28 HD23 LEU 28 -3.331 6.695 3.647 219 H LYS 29 H LYS 29 2.270 4.598 5.578 220 HA LYS 29 HA LYS 29 3.537 2.630 4.002 221 HB2 LYS 29 HB2 LYS 29 4.425 3.965 6.590 222 HB3 LYS 29 HB3 LYS 29 5.476 2.980 5.575 223 HG2 LYS 29 HG2 LYS 29 5.414 4.581 3.787 224 HG3 LYS 29 HG3 LYS 29 4.099 5.479 4.553 225 HD2 LYS 29 HD2 LYS 29 6.216 6.671 4.854 226 HD3 LYS 29 HD3 LYS 29 5.599 6.113 6.412 227 HE2 LYS 29 HE2 LYS 29 7.995 5.736 6.324 228 HE3 LYS 29 HE3 LYS 29 7.189 4.170 6.282 229 HZ1 LYS 29 HZ1 LYS 29 7.521 4.104 3.898 230 HZ2 LYS 29 HZ2 LYS 29 8.999 4.319 4.680 231 HZ3 LYS 29 HZ3 LYS 29 8.246 5.627 3.922 232 H ASN 30 H ASN 30 2.298 2.589 7.338 233 HA ASN 30 HA ASN 30 3.132 0.036 8.152 234 HB2 ASN 30 HB2 ASN 30 0.651 1.633 8.920 235 HB3 ASN 30 HB3 ASN 30 1.055 0.094 9.679 236 HD21 ASN 30 HD21 ASN 30 0.844 2.819 10.782 237 HD22 ASN 30 HD22 ASN 30 2.348 3.113 11.569 238 H ASP 31 H ASP 31 0.144 1.094 6.532 239 HA ASP 31 HA ASP 31 -1.113 -1.445 6.439 240 HB2 ASP 31 HB2 ASP 31 -1.608 1.047 4.756 241 HB3 ASP 31 HB3 ASP 31 -2.666 -0.363 4.782 242 H VAL 32 H VAL 32 0.912 0.288 4.107 243 HA VAL 32 HA VAL 32 0.811 -1.503 1.939 244 HB VAL 32 HB VAL 32 3.041 0.385 2.853 245 HG11 VAL 32 HG11 VAL 32 2.876 -1.106 0.202 246 HG12 VAL 32 HG12 VAL 32 4.072 -1.381 1.470 247 HG13 VAL 32 HG13 VAL 32 4.050 0.153 0.600 248 HG21 VAL 32 HG21 VAL 32 1.003 0.648 0.609 249 HG22 VAL 32 HG22 VAL 32 2.241 1.839 1.027 250 HG23 VAL 32 HG23 VAL 32 0.937 1.483 2.161 251 H ASP 33 H ASP 33 2.774 -1.477 4.881 252 HA ASP 33 HA ASP 33 4.379 -3.778 4.205 253 HB2 ASP 33 HB2 ASP 33 5.245 -1.995 5.686 254 HB3 ASP 33 HB3 ASP 33 3.974 -2.326 6.859 255 H ASN 34 H ASN 34 1.338 -3.230 5.868 256 HA ASN 34 HA ASN 34 1.180 -5.744 7.262 257 HB2 ASN 34 HB2 ASN 34 -0.977 -3.689 6.597 258 HB3 ASN 34 HB3 ASN 34 -1.244 -5.099 7.622 259 HD21 ASN 34 HD21 ASN 34 -1.468 -2.233 8.246 260 HD22 ASN 34 HD22 ASN 34 -0.415 -1.958 9.590 261 H THR 35 H THR 35 0.255 -4.583 4.096 262 HA THR 35 HA THR 35 -1.376 -6.864 3.358 263 HB THR 35 HB THR 35 -1.208 -5.844 1.040 264 HG1 THR 35 HG1 THR 35 0.612 -4.229 2.391 265 HG21 THR 35 HG21 THR 35 -3.062 -5.168 2.519 266 HG22 THR 35 HG22 THR 35 -2.515 -3.801 1.541 267 HG23 THR 35 HG23 THR 35 -2.041 -3.917 3.237 268 H ILE 36 H ILE 36 -0.746 -8.229 1.465 269 HA ILE 36 HA ILE 36 1.856 -9.447 1.960 270 HB ILE 36 HB ILE 36 1.071 -11.265 0.458 271 HG12 ILE 36 HG12 ILE 36 -1.561 -9.736 0.198 272 HG13 ILE 36 HG13 ILE 36 -0.316 -9.709 -1.043 273 HG21 ILE 36 HG21 ILE 36 0.504 -11.382 2.854 274 HG22 ILE 36 HG22 ILE 36 -0.763 -12.118 1.870 275 HG23 ILE 36 HG23 ILE 36 -1.001 -10.507 2.549 276 HD11 ILE 36 HD11 ILE 36 -1.771 -12.160 -0.081 277 HD12 ILE 36 HD12 ILE 36 -0.548 -12.098 -1.356 278 HD13 ILE 36 HD13 ILE 36 -2.086 -11.264 -1.564 279 H LEU 37 H LEU 37 1.734 -6.811 0.419 280 HA LEU 37 HA LEU 37 2.336 -7.218 -2.309 281 HB2 LEU 37 HB2 LEU 37 3.517 -5.012 -0.588 282 HB3 LEU 37 HB3 LEU 37 3.264 -4.986 -2.324 283 HG LEU 37 HG LEU 37 1.141 -4.832 -0.160 284 HD11 LEU 37 HD11 LEU 37 2.379 -2.759 -0.509 285 HD12 LEU 37 HD12 LEU 37 0.710 -2.597 -1.045 286 HD13 LEU 37 HD13 LEU 37 2.000 -2.799 -2.235 287 HD21 LEU 37 HD21 LEU 37 -0.524 -4.559 -1.957 288 HD22 LEU 37 HD22 LEU 37 0.220 -6.153 -1.977 289 HD23 LEU 37 HD23 LEU 37 0.714 -4.939 -3.162 290 H SER 38 H SER 38 4.436 -7.190 -3.399 291 HA SER 38 HA SER 38 6.503 -8.734 -2.169 292 HB2 SER 38 HB2 SER 38 7.782 -8.305 -4.237 293 HB3 SER 38 HB3 SER 38 6.108 -8.704 -4.640 294 HG SER 38 HG SER 38 6.605 -6.925 -5.822 295 H HIS 39 H HIS 39 8.721 -7.979 -1.753 296 HA HIS 39 HA HIS 39 8.955 -5.777 -0.074 297 HB2 HIS 39 HB2 HIS 39 10.549 -7.680 -0.087 298 HB3 HIS 39 HB3 HIS 39 11.173 -7.161 -1.654 299 HD1 HIS 39 HD1 HIS 39 11.004 -5.998 1.948 300 HD2 HIS 39 HD2 HIS 39 13.205 -5.307 -1.492 301 HE1 HIS 39 HE1 HIS 39 12.882 -4.503 2.649 302 HE2 HIS 39 HE2 HIS 39 14.304 -4.268 0.591 303 H GLU 40 H GLU 40 9.582 -6.044 -3.530 304 HA GLU 40 HA GLU 40 10.730 -3.471 -3.914 305 HB2 GLU 40 HB2 GLU 40 9.549 -5.526 -5.805 306 HB3 GLU 40 HB3 GLU 40 10.114 -3.969 -6.392 307 HG2 GLU 40 HG2 GLU 40 11.798 -5.764 -6.679 308 HG3 GLU 40 HG3 GLU 40 12.376 -4.429 -5.686 309 H GLN 41 H GLN 41 7.387 -4.726 -4.280 310 HA GLN 41 HA GLN 41 6.216 -2.309 -5.181 311 HB2 GLN 41 HB2 GLN 41 5.037 -4.706 -3.738 312 HB3 GLN 41 HB3 GLN 41 4.045 -3.305 -4.130 313 HG2 GLN 41 HG2 GLN 41 5.513 -5.054 -6.126 314 HG3 GLN 41 HG3 GLN 41 3.782 -5.090 -5.795 315 HE21 GLN 41 HE21 GLN 41 2.489 -3.321 -6.500 316 HE22 GLN 41 HE22 GLN 41 3.037 -2.234 -7.725 317 H LYS 42 H LYS 42 6.842 -3.579 -1.929 318 HA LYS 42 HA LYS 42 5.446 -1.564 -0.516 319 HB2 LYS 42 HB2 LYS 42 7.637 -3.479 0.374 320 HB3 LYS 42 HB3 LYS 42 6.824 -2.360 1.478 321 HG2 LYS 42 HG2 LYS 42 4.641 -3.386 0.867 322 HG3 LYS 42 HG3 LYS 42 5.494 -4.554 -0.150 323 HD2 LYS 42 HD2 LYS 42 6.625 -5.481 1.828 324 HD3 LYS 42 HD3 LYS 42 5.869 -4.261 2.862 325 HE2 LYS 42 HE2 LYS 42 3.650 -5.178 2.324 326 HE3 LYS 42 HE3 LYS 42 4.381 -6.382 1.275 327 HZ1 LYS 42 HZ1 LYS 42 3.787 -7.242 3.449 328 HZ2 LYS 42 HZ2 LYS 42 4.855 -6.161 4.190 329 HZ3 LYS 42 HZ3 LYS 42 5.447 -7.365 3.162 330 H ASN 43 H ASN 43 8.902 -1.912 -1.380 331 HA ASN 43 HA ASN 43 9.912 0.451 -0.301 332 HB2 ASN 43 HB2 ASN 43 10.697 -0.878 -2.938 333 HB3 ASN 43 HB3 ASN 43 11.620 0.411 -2.173 334 HD21 ASN 43 HD21 ASN 43 12.528 -2.205 -2.873 335 HD22 ASN 43 HD22 ASN 43 13.058 -2.953 -1.413 336 H GLU 44 H GLU 44 8.390 -0.132 -3.447 337 HA GLU 44 HA GLU 44 8.780 2.393 -4.625 338 HB2 GLU 44 HB2 GLU 44 8.266 0.311 -5.875 339 HB3 GLU 44 HB3 GLU 44 6.649 0.288 -5.176 340 HG2 GLU 44 HG2 GLU 44 6.191 2.484 -6.313 341 HG3 GLU 44 HG3 GLU 44 7.760 2.348 -7.108 342 H PHE 45 H PHE 45 5.813 1.009 -3.154 343 HA PHE 45 HA PHE 45 4.146 3.237 -3.395 344 HB2 PHE 45 HB2 PHE 45 4.078 0.810 -1.580 345 HB3 PHE 45 HB3 PHE 45 2.907 2.099 -1.341 346 HD1 PHE 45 HD1 PHE 45 1.591 2.852 -3.501 347 HD2 PHE 45 HD2 PHE 45 3.500 -0.956 -3.073 348 HE1 PHE 45 HE1 PHE 45 0.123 1.906 -5.222 349 HE2 PHE 45 HE2 PHE 45 2.028 -1.888 -4.804 350 HZ PHE 45 HZ PHE 45 0.330 -0.456 -5.878 351 H LYS 46 H LYS 46 6.050 2.152 -0.567 352 HA LYS 46 HA LYS 46 5.206 4.198 1.181 353 HB2 LYS 46 HB2 LYS 46 7.705 2.469 1.248 354 HB3 LYS 46 HB3 LYS 46 7.222 3.545 2.558 355 HG2 LYS 46 HG2 LYS 46 5.125 2.248 2.837 356 HG3 LYS 46 HG3 LYS 46 5.644 1.147 1.555 357 HD2 LYS 46 HD2 LYS 46 7.107 1.620 4.190 358 HD3 LYS 46 HD3 LYS 46 6.111 0.212 3.812 359 HE2 LYS 46 HE2 LYS 46 7.673 -0.454 2.049 360 HE3 LYS 46 HE3 LYS 46 8.634 1.001 2.309 361 HZ1 LYS 46 HZ1 LYS 46 8.234 -1.167 4.291 362 HZ2 LYS 46 HZ2 LYS 46 9.172 0.220 4.510 363 HZ3 LYS 46 HZ3 LYS 46 9.620 -0.922 3.352 364 H THR 47 H THR 47 8.086 4.002 -0.955 365 HA THR 47 HA THR 47 9.394 6.349 -0.109 366 HB THR 47 HB THR 47 9.441 4.926 -2.805 367 HG1 THR 47 HG1 THR 47 10.349 3.783 -1.058 368 HG21 THR 47 HG21 THR 47 11.296 7.156 -1.880 369 HG22 THR 47 HG22 THR 47 10.131 7.271 -3.201 370 HG23 THR 47 HG23 THR 47 11.512 6.178 -3.333 371 H LYS 48 H LYS 48 6.967 5.829 -2.677 372 HA LYS 48 HA LYS 48 6.791 8.482 -3.611 373 HB2 LYS 48 HB2 LYS 48 4.698 6.274 -3.581 374 HB3 LYS 48 HB3 LYS 48 4.503 7.801 -4.442 375 HG2 LYS 48 HG2 LYS 48 6.454 7.279 -5.848 376 HG3 LYS 48 HG3 LYS 48 6.687 5.760 -4.973 377 HD2 LYS 48 HD2 LYS 48 4.449 4.983 -5.753 378 HD3 LYS 48 HD3 LYS 48 4.240 6.499 -6.638 379 HE2 LYS 48 HE2 LYS 48 6.174 5.949 -8.054 380 HE3 LYS 48 HE3 LYS 48 6.425 4.454 -7.151 381 HZ1 LYS 48 HZ1 LYS 48 5.261 3.870 -9.079 382 HZ2 LYS 48 HZ2 LYS 48 4.170 5.148 -8.935 383 HZ3 LYS 48 HZ3 LYS 48 4.100 3.858 -7.858 384 H ILE 49 H ILE 49 5.009 6.775 -1.053 385 HA ILE 49 HA ILE 49 3.245 8.807 -0.251 386 HB ILE 49 HB ILE 49 4.451 6.491 1.323 387 HG12 ILE 49 HG12 ILE 49 1.655 6.749 0.120 388 HG13 ILE 49 HG13 ILE 49 2.993 5.959 -0.699 389 HG21 ILE 49 HG21 ILE 49 3.686 8.185 2.934 390 HG22 ILE 49 HG22 ILE 49 2.626 6.776 2.976 391 HG23 ILE 49 HG23 ILE 49 2.107 8.244 2.144 392 HD11 ILE 49 HD11 ILE 49 1.759 5.081 1.909 393 HD12 ILE 49 HD12 ILE 49 3.104 4.288 1.085 394 HD13 ILE 49 HD13 ILE 49 1.514 4.346 0.327 395 H ASP 50 H ASP 50 6.603 8.136 0.678 396 HA ASP 50 HA ASP 50 6.845 10.066 2.766 397 HB2 ASP 50 HB2 ASP 50 8.972 8.766 1.020 398 HB3 ASP 50 HB3 ASP 50 9.346 9.810 2.385 399 H GLU 51 H GLU 51 7.281 10.198 -0.727 400 HA GLU 51 HA GLU 51 8.549 12.835 -0.650 401 HB2 GLU 51 HB2 GLU 51 7.905 11.004 -2.996 402 HB3 GLU 51 HB3 GLU 51 8.822 12.505 -3.101 403 HG2 GLU 51 HG2 GLU 51 9.644 10.011 -1.575 404 HG3 GLU 51 HG3 GLU 51 10.306 10.546 -3.118 405 H THR 52 H THR 52 5.380 11.636 -0.848 406 HA THR 52 HA THR 52 4.370 13.938 -2.406 407 HB THR 52 HB THR 52 2.985 11.326 -1.647 408 HG1 THR 52 HG1 THR 52 4.650 11.240 -3.286 409 HG21 THR 52 HG21 THR 52 2.001 13.567 -3.451 410 HG22 THR 52 HG22 THR 52 1.350 13.185 -1.854 411 HG23 THR 52 HG23 THR 52 1.190 12.024 -3.174 412 H ASN 53 H ASN 53 3.735 15.612 -1.239 413 HA ASN 53 HA ASN 53 2.380 15.307 1.373 414 HB2 ASN 53 HB2 ASN 53 3.525 17.765 -0.024 415 HB3 ASN 53 HB3 ASN 53 2.603 17.844 1.474 416 HD21 ASN 53 HD21 ASN 53 5.387 18.597 0.890 417 HD22 ASN 53 HD22 ASN 53 6.348 17.732 2.034 418 H ASP 54 H ASP 54 1.518 15.220 -1.772 419 HA ASP 54 HA ASP 54 -0.819 16.960 -1.685 420 HB2 ASP 54 HB2 ASP 54 0.481 16.594 -3.816 421 HB3 ASP 54 HB3 ASP 54 -0.019 14.903 -3.805 422 H SER 55 H SER 55 -2.622 16.348 -0.702 423 HA SER 55 HA SER 55 -3.022 13.883 0.550 424 HB2 SER 55 HB2 SER 55 -4.071 15.972 1.340 425 HB3 SER 55 HB3 SER 55 -5.085 16.031 -0.101 426 HG SER 55 HG SER 55 -6.114 14.142 0.598 427 H ASP 56 H ASP 56 -4.234 15.076 -2.588 428 HA ASP 56 HA ASP 56 -6.131 13.011 -3.084 429 HB2 ASP 56 HB2 ASP 56 -4.611 14.787 -5.051 430 HB3 ASP 56 HB3 ASP 56 -5.947 13.730 -5.507 431 H ALA 57 H ALA 57 -2.737 13.420 -4.017 432 HA ALA 57 HA ALA 57 -2.512 11.047 -5.565 433 HB1 ALA 57 HB1 ALA 57 -0.084 11.487 -5.496 434 HB2 ALA 57 HB2 ALA 57 -0.349 12.733 -4.272 435 HB3 ALA 57 HB3 ALA 57 -1.003 12.941 -5.898 436 H LEU 58 H LEU 58 -2.064 11.763 -2.133 437 HA LEU 58 HA LEU 58 -0.948 9.219 -1.418 438 HB2 LEU 58 HB2 LEU 58 -2.321 11.381 0.217 439 HB3 LEU 58 HB3 LEU 58 -1.673 9.912 0.937 440 HG LEU 58 HG LEU 58 -0.024 11.991 -0.563 441 HD11 LEU 58 HD11 LEU 58 0.902 12.581 1.627 442 HD12 LEU 58 HD12 LEU 58 -0.208 11.452 2.413 443 HD13 LEU 58 HD13 LEU 58 -0.837 12.868 1.566 444 HD21 LEU 58 HD21 LEU 58 0.863 9.521 0.970 445 HD22 LEU 58 HD22 LEU 58 1.930 10.742 0.265 446 HD23 LEU 58 HD23 LEU 58 0.926 9.742 -0.782 447 H LEU 59 H LEU 59 -4.253 10.521 -1.636 448 HA LEU 59 HA LEU 59 -5.666 8.278 -0.624 449 HB2 LEU 59 HB2 LEU 59 -6.485 10.372 -2.676 450 HB3 LEU 59 HB3 LEU 59 -7.593 9.165 -2.044 451 HG LEU 59 HG LEU 59 -6.217 11.297 -0.356 452 HD11 LEU 59 HD11 LEU 59 -8.397 12.400 -0.237 453 HD12 LEU 59 HD12 LEU 59 -9.078 11.211 -1.353 454 HD13 LEU 59 HD13 LEU 59 -7.811 12.318 -1.898 455 HD21 LEU 59 HD21 LEU 59 -8.413 9.333 0.385 456 HD22 LEU 59 HD22 LEU 59 -7.790 10.630 1.412 457 HD23 LEU 59 HD23 LEU 59 -6.739 9.296 0.950 458 H GLU 60 H GLU 60 -4.338 9.052 -3.812 459 HA GLU 60 HA GLU 60 -5.489 6.861 -5.232 460 HB2 GLU 60 HB2 GLU 60 -4.678 8.880 -6.399 461 HB3 GLU 60 HB3 GLU 60 -3.029 8.547 -5.876 462 HG2 GLU 60 HG2 GLU 60 -2.941 6.531 -7.240 463 HG3 GLU 60 HG3 GLU 60 -4.641 6.694 -7.663 464 H LEU 61 H LEU 61 -2.205 7.403 -3.867 465 HA LEU 61 HA LEU 61 -1.070 4.897 -4.414 466 HB2 LEU 61 HB2 LEU 61 -0.540 6.860 -2.147 467 HB3 LEU 61 HB3 LEU 61 0.462 5.443 -2.432 468 HG LEU 61 HG LEU 61 0.069 7.668 -4.478 469 HD11 LEU 61 HD11 LEU 61 2.294 8.470 -3.873 470 HD12 LEU 61 HD12 LEU 61 2.402 7.268 -2.583 471 HD13 LEU 61 HD13 LEU 61 1.197 8.558 -2.494 472 HD21 LEU 61 HD21 LEU 61 0.685 5.517 -5.487 473 HD22 LEU 61 HD22 LEU 61 2.067 5.376 -4.396 474 HD23 LEU 61 HD23 LEU 61 2.017 6.665 -5.602 475 H GLU 62 H GLU 62 -3.115 5.979 -1.782 476 HA GLU 62 HA GLU 62 -2.983 3.759 -0.070 477 HB2 GLU 62 HB2 GLU 62 -3.982 6.099 0.346 478 HB3 GLU 62 HB3 GLU 62 -5.420 5.537 -0.484 479 HG2 GLU 62 HG2 GLU 62 -4.267 4.328 2.046 480 HG3 GLU 62 HG3 GLU 62 -5.577 5.499 2.005 481 H ASN 63 H ASN 63 -5.250 4.586 -2.684 482 HA ASN 63 HA ASN 63 -6.817 2.204 -2.471 483 HB2 ASN 63 HB2 ASN 63 -6.646 4.405 -4.555 484 HB3 ASN 63 HB3 ASN 63 -7.732 3.038 -4.736 485 HD21 ASN 63 HD21 ASN 63 -7.030 4.625 -1.626 486 HD22 ASN 63 HD22 ASN 63 -8.608 5.286 -1.429 487 H GLN 64 H GLN 64 -3.950 3.059 -4.275 488 HA GLN 64 HA GLN 64 -4.106 1.033 -6.267 489 HB2 GLN 64 HB2 GLN 64 -1.783 2.751 -5.325 490 HB3 GLN 64 HB3 GLN 64 -1.628 1.579 -6.629 491 HG2 GLN 64 HG2 GLN 64 -3.439 4.007 -6.620 492 HG3 GLN 64 HG3 GLN 64 -1.926 3.842 -7.504 493 HE21 GLN 64 HE21 GLN 64 -4.634 4.400 -8.492 494 HE22 GLN 64 HE22 GLN 64 -4.983 3.168 -9.653 495 H PHE 65 H PHE 65 -2.458 1.204 -3.052 496 HA PHE 65 HA PHE 65 -1.111 -1.299 -3.474 497 HB2 PHE 65 HB2 PHE 65 -0.231 -1.175 -1.287 498 HB3 PHE 65 HB3 PHE 65 -0.288 0.479 -1.850 499 HD1 PHE 65 HD1 PHE 65 -1.351 2.143 -0.510 500 HD2 PHE 65 HD2 PHE 65 -2.047 -1.981 0.383 501 HE1 PHE 65 HE1 PHE 65 -2.457 2.768 1.596 502 HE2 PHE 65 HE2 PHE 65 -3.166 -1.336 2.464 503 HZ PHE 65 HZ PHE 65 -3.370 1.038 3.072 504 H ASN 66 H ASN 66 -4.196 -0.381 -2.015 505 HA ASN 66 HA ASN 66 -4.931 -2.928 -1.006 506 HB2 ASN 66 HB2 ASN 66 -6.556 -0.503 -1.846 507 HB3 ASN 66 HB3 ASN 66 -7.364 -2.007 -1.400 508 HD21 ASN 66 HD21 ASN 66 -5.487 0.667 -0.227 509 HD22 ASN 66 HD22 ASN 66 -5.747 0.370 1.445 510 H GLU 67 H GLU 67 -5.421 -1.381 -4.173 511 HA GLU 67 HA GLU 67 -6.975 -3.436 -5.333 512 HB2 GLU 67 HB2 GLU 67 -6.870 -1.146 -6.256 513 HB3 GLU 67 HB3 GLU 67 -5.180 -1.380 -6.688 514 HG2 GLU 67 HG2 GLU 67 -6.699 -1.593 -8.639 515 HG3 GLU 67 HG3 GLU 67 -5.771 -3.066 -8.338 516 H THR 68 H THR 68 -3.464 -2.775 -5.459 517 HA THR 68 HA THR 68 -2.640 -4.937 -7.049 518 HB THR 68 HB THR 68 -1.100 -3.517 -4.818 519 HG1 THR 68 HG1 THR 68 -1.948 -2.276 -6.712 520 HG21 THR 68 HG21 THR 68 -0.029 -5.192 -7.129 521 HG22 THR 68 HG22 THR 68 0.022 -5.640 -5.422 522 HG23 THR 68 HG23 THR 68 0.957 -4.259 -6.000 523 H ASN 69 H ASN 69 -3.211 -4.633 -3.579 524 HA ASN 69 HA ASN 69 -2.211 -7.151 -2.753 525 HB2 ASN 69 HB2 ASN 69 -2.449 -5.308 -1.169 526 HB3 ASN 69 HB3 ASN 69 -4.188 -5.247 -1.437 527 HD21 ASN 69 HD21 ASN 69 -1.607 -7.367 -0.276 528 HD22 ASN 69 HD22 ASN 69 -2.568 -8.165 0.922 529 H ARG 70 H ARG 70 -5.467 -6.049 -3.730 530 HA ARG 70 HA ARG 70 -6.984 -8.342 -3.205 531 HB2 ARG 70 HB2 ARG 70 -7.207 -6.358 -5.514 532 HB3 ARG 70 HB3 ARG 70 -8.412 -7.607 -5.201 533 HG2 ARG 70 HG2 ARG 70 -8.999 -6.603 -3.093 534 HG3 ARG 70 HG3 ARG 70 -7.675 -5.438 -3.217 535 HD2 ARG 70 HD2 ARG 70 -8.756 -4.484 -5.258 536 HD3 ARG 70 HD3 ARG 70 -10.108 -5.604 -5.032 537 HE ARG 70 HE ARG 70 -10.186 -4.434 -2.703 538 HH11 ARG 70 HH11 ARG 70 -9.591 -2.832 -5.785 539 HH12 ARG 70 HH12 ARG 70 -10.268 -1.326 -5.259 540 HH21 ARG 70 HH21 ARG 70 -11.062 -2.475 -2.032 541 HH22 ARG 70 HH22 ARG 70 -11.106 -1.122 -3.116 542 H LEU 71 H LEU 71 -5.208 -7.386 -6.112 543 HA LEU 71 HA LEU 71 -5.755 -9.565 -7.770 544 HB2 LEU 71 HB2 LEU 71 -3.275 -7.798 -7.722 545 HB3 LEU 71 HB3 LEU 71 -3.791 -8.792 -9.081 546 HG LEU 71 HG LEU 71 -5.328 -6.408 -7.968 547 HD11 LEU 71 HD11 LEU 71 -3.270 -5.697 -9.063 548 HD12 LEU 71 HD12 LEU 71 -4.683 -5.232 -10.008 549 HD13 LEU 71 HD13 LEU 71 -3.701 -6.612 -10.511 550 HD21 LEU 71 HD21 LEU 71 -6.858 -8.048 -8.919 551 HD22 LEU 71 HD22 LEU 71 -5.907 -8.122 -10.406 552 HD23 LEU 71 HD23 LEU 71 -6.756 -6.636 -9.968 553 H LEU 72 H LEU 72 -3.245 -9.098 -5.332 554 HA LEU 72 HA LEU 72 -1.711 -11.436 -5.895 555 HB2 LEU 72 HB2 LEU 72 -1.929 -9.785 -3.360 556 HB3 LEU 72 HB3 LEU 72 -0.734 -11.047 -3.623 557 HG LEU 72 HG LEU 72 -0.932 -8.460 -5.209 558 HD11 LEU 72 HD11 LEU 72 -0.233 -8.114 -2.883 559 HD12 LEU 72 HD12 LEU 72 1.080 -7.791 -4.017 560 HD13 LEU 72 HD13 LEU 72 1.064 -9.296 -3.090 561 HD21 LEU 72 HD21 LEU 72 -0.031 -10.280 -6.587 562 HD22 LEU 72 HD22 LEU 72 1.159 -10.664 -5.340 563 HD23 LEU 72 HD23 LEU 72 1.229 -9.115 -6.187 564 H HIS 73 H HIS 73 -4.380 -10.757 -3.569 565 HA HIS 73 HA HIS 73 -4.271 -13.352 -2.335 566 HB2 HIS 73 HB2 HIS 73 -6.473 -11.255 -2.274 567 HB3 HIS 73 HB3 HIS 73 -6.557 -12.772 -1.389 568 HD1 HIS 73 HD1 HIS 73 -4.402 -13.089 0.384 569 HD2 HIS 73 HD2 HIS 73 -5.422 -9.250 -0.804 570 HE1 HIS 73 HE1 HIS 73 -3.348 -11.522 2.066 571 HE2 HIS 73 HE2 HIS 73 -4.260 -9.267 1.470 572 H ILE 74 H ILE 74 -5.973 -12.012 -5.069 573 HA ILE 74 HA ILE 74 -7.768 -14.194 -5.548 574 HB ILE 74 HB ILE 74 -6.766 -11.945 -7.365 575 HG12 ILE 74 HG12 ILE 74 -9.464 -12.209 -5.950 576 HG13 ILE 74 HG13 ILE 74 -8.118 -11.272 -5.320 577 HG21 ILE 74 HG21 ILE 74 -8.650 -12.459 -8.879 578 HG22 ILE 74 HG22 ILE 74 -9.074 -13.856 -7.888 579 HG23 ILE 74 HG23 ILE 74 -7.539 -13.827 -8.760 580 HD11 ILE 74 HD11 ILE 74 -9.631 -10.728 -7.874 581 HD12 ILE 74 HD12 ILE 74 -8.220 -9.823 -7.312 582 HD13 ILE 74 HD13 ILE 74 -9.706 -9.814 -6.363 583 H LYS 75 H LYS 75 -4.530 -13.288 -6.634 584 HA LYS 75 HA LYS 75 -4.138 -15.337 -8.574 585 HB2 LYS 75 HB2 LYS 75 -2.865 -13.217 -8.548 586 HB3 LYS 75 HB3 LYS 75 -2.122 -13.669 -7.016 587 HG2 LYS 75 HG2 LYS 75 -0.981 -15.561 -8.125 588 HG3 LYS 75 HG3 LYS 75 -1.743 -15.116 -9.660 589 HD2 LYS 75 HD2 LYS 75 -0.586 -12.916 -9.586 590 HD3 LYS 75 HD3 LYS 75 0.181 -13.374 -8.062 591 HE2 LYS 75 HE2 LYS 75 1.335 -15.229 -9.213 592 HE3 LYS 75 HE3 LYS 75 0.573 -14.758 -10.734 593 HZ1 LYS 75 HZ1 LYS 75 2.763 -13.861 -10.657 594 HZ2 LYS 75 HZ2 LYS 75 2.504 -13.170 -9.140 595 HZ3 LYS 75 HZ3 LYS 75 1.678 -12.575 -10.488 596 H GLN 76 H GLN 76 -3.156 -15.022 -5.153 597 HA GLN 76 HA GLN 76 -1.742 -17.504 -5.042 598 HB2 GLN 76 HB2 GLN 76 -1.535 -17.133 -2.665 599 HB3 GLN 76 HB3 GLN 76 -1.324 -15.585 -3.472 600 HG2 GLN 76 HG2 GLN 76 -3.636 -14.963 -2.888 601 HG3 GLN 76 HG3 GLN 76 -3.858 -16.509 -2.080 602 HE21 GLN 76 HE21 GLN 76 -0.881 -14.632 -1.831 603 HE22 GLN 76 HE22 GLN 76 -1.091 -14.210 -0.168 604 H HIS 77 H HIS 77 -5.071 -16.537 -4.607 605 HA HIS 77 HA HIS 77 -6.099 -18.662 -3.105 606 HB2 HIS 77 HB2 HIS 77 -7.403 -16.624 -3.527 607 HB3 HIS 77 HB3 HIS 77 -7.472 -16.979 -5.248 608 HD1 HIS 77 HD1 HIS 77 -8.930 -18.038 -1.947 609 HD2 HIS 77 HD2 HIS 77 -9.431 -18.858 -5.992 610 HE1 HIS 77 HE1 HIS 77 -11.025 -19.401 -2.112 611 HE2 HIS 77 HE2 HIS 77 -11.363 -19.796 -4.567 612 H GLU 78 H GLU 78 -5.367 -18.400 -6.535 613 HA GLU 78 HA GLU 78 -6.644 -20.676 -7.540 614 HB2 GLU 78 HB2 GLU 78 -3.926 -19.610 -8.419 615 HB3 GLU 78 HB3 GLU 78 -5.042 -20.568 -9.388 616 HG2 GLU 78 HG2 GLU 78 -5.493 -17.727 -8.411 617 HG3 GLU 78 HG3 GLU 78 -5.070 -18.199 -10.054 618 H GLU 79 H GLU 79 -3.422 -20.299 -6.091 619 HA GLU 79 HA GLU 79 -2.767 -23.106 -6.238 620 HB2 GLU 79 HB2 GLU 79 -1.257 -20.835 -4.899 621 HB3 GLU 79 HB3 GLU 79 -0.637 -22.464 -5.195 622 HG2 GLU 79 HG2 GLU 79 -1.073 -22.056 -7.675 623 HG3 GLU 79 HG3 GLU 79 -1.392 -20.374 -7.266 624 H VAL 80 H VAL 80 -4.190 -21.012 -3.820 625 HA VAL 80 HA VAL 80 -4.029 -22.801 -1.606 626 HB VAL 80 HB VAL 80 -6.109 -20.647 -2.254 627 HG11 VAL 80 HG11 VAL 80 -6.799 -20.764 0.133 628 HG12 VAL 80 HG12 VAL 80 -5.735 -22.154 0.368 629 HG13 VAL 80 HG13 VAL 80 -7.127 -22.280 -0.711 630 HG21 VAL 80 HG21 VAL 80 -3.832 -19.759 -1.901 631 HG22 VAL 80 HG22 VAL 80 -3.727 -20.594 -0.351 632 HG23 VAL 80 HG23 VAL 80 -4.891 -19.285 -0.570 633 H GLU 81 H GLU 81 -6.285 -22.466 -4.341 634 HA GLU 81 HA GLU 81 -8.079 -24.565 -3.605 635 HB2 GLU 81 HB2 GLU 81 -7.500 -23.341 -6.335 636 HB3 GLU 81 HB3 GLU 81 -8.811 -24.472 -6.010 637 HG2 GLU 81 HG2 GLU 81 -8.509 -21.669 -4.892 638 HG3 GLU 81 HG3 GLU 81 -9.662 -22.200 -6.112 639 H LYS 82 H LYS 82 -5.031 -24.438 -5.312 640 HA LYS 82 HA LYS 82 -5.012 -27.025 -6.450 641 HB2 LYS 82 HB2 LYS 82 -3.523 -25.111 -7.104 642 HB3 LYS 82 HB3 LYS 82 -2.658 -25.287 -5.591 643 HG2 LYS 82 HG2 LYS 82 -2.812 -27.587 -7.542 644 HG3 LYS 82 HG3 LYS 82 -1.660 -26.278 -7.797 645 HD2 LYS 82 HD2 LYS 82 -0.580 -26.755 -5.653 646 HD3 LYS 82 HD3 LYS 82 -1.797 -27.976 -5.274 647 HE2 LYS 82 HE2 LYS 82 0.241 -28.110 -7.517 648 HE3 LYS 82 HE3 LYS 82 0.250 -29.056 -6.028 649 HZ1 LYS 82 HZ1 LYS 82 -1.764 -29.207 -8.206 650 HZ2 LYS 82 HZ2 LYS 82 -1.880 -30.042 -6.745 651 HZ3 LYS 82 HZ3 LYS 82 -0.613 -30.375 -7.809 652 H ASP 83 H ASP 83 -3.637 -25.749 -3.398 653 HA ASP 83 HA ASP 83 -2.719 -28.229 -2.349 654 HB2 ASP 83 HB2 ASP 83 -3.443 -25.656 -0.879 655 HB3 ASP 83 HB3 ASP 83 -2.555 -27.003 -0.168 656 H LYS 84 H LYS 84 -5.733 -26.529 -2.202 657 HA LYS 84 HA LYS 84 -7.112 -27.679 -0.082 658 HB2 LYS 84 HB2 LYS 84 -7.710 -25.697 -1.561 659 HB3 LYS 84 HB3 LYS 84 -8.252 -26.841 -2.776 660 HG2 LYS 84 HG2 LYS 84 -9.999 -27.636 -1.174 661 HG3 LYS 84 HG3 LYS 84 -9.454 -26.399 -0.028 662 HD2 LYS 84 HD2 LYS 84 -9.846 -24.711 -1.982 663 HD3 LYS 84 HD3 LYS 84 -10.764 -26.013 -2.740 664 HE2 LYS 84 HE2 LYS 84 -12.276 -26.050 -0.782 665 HE3 LYS 84 HE3 LYS 84 -11.349 -24.728 -0.054 666 HZ1 LYS 84 HZ1 LYS 84 -11.872 -23.411 -2.074 667 HZ2 LYS 84 HZ2 LYS 84 -13.232 -23.806 -1.146 668 HZ3 LYS 84 HZ3 LYS 84 -12.907 -24.650 -2.576 669 H LYS 85 H LYS 85 -6.922 -28.710 -3.485 670 HA LYS 85 HA LYS 85 -7.761 -31.456 -2.722 671 HB2 LYS 85 HB2 LYS 85 -8.425 -30.061 -5.355 672 HB3 LYS 85 HB3 LYS 85 -8.861 -31.709 -4.908 673 HG2 LYS 85 HG2 LYS 85 -10.326 -30.816 -3.109 674 HG3 LYS 85 HG3 LYS 85 -9.908 -29.170 -3.604 675 HD2 LYS 85 HD2 LYS 85 -11.352 -31.248 -5.312 676 HD3 LYS 85 HD3 LYS 85 -12.090 -29.845 -4.532 677 HE2 LYS 85 HE2 LYS 85 -10.764 -28.332 -5.947 678 HE3 LYS 85 HE3 LYS 85 -9.952 -29.711 -6.694 679 HZ1 LYS 85 HZ1 LYS 85 -12.134 -30.442 -7.519 680 HZ2 LYS 85 HZ2 LYS 85 -11.683 -28.932 -8.117 681 HZ3 LYS 85 HZ3 LYS 85 -12.838 -29.040 -6.890 682 H ALA 86 H ALA 86 -5.493 -31.868 -2.487 683 HA ALA 86 HA ALA 86 -4.294 -32.813 -4.981 684 HB1 ALA 86 HB1 ALA 86 -2.078 -31.824 -4.513 685 HB2 ALA 86 HB2 ALA 86 -2.747 -30.953 -3.129 686 HB3 ALA 86 HB3 ALA 86 -3.294 -30.566 -4.762 687 H LYS 87 H LYS 87 -4.558 -34.882 -4.317 688 HA LYS 87 HA LYS 87 -4.245 -35.835 -1.681 689 HB2 LYS 87 HB2 LYS 87 -4.391 -38.106 -2.685 690 HB3 LYS 87 HB3 LYS 87 -5.662 -37.027 -3.238 691 HG2 LYS 87 HG2 LYS 87 -4.505 -36.725 -5.387 692 HG3 LYS 87 HG3 LYS 87 -3.175 -37.747 -4.831 693 HD2 LYS 87 HD2 LYS 87 -4.794 -39.653 -4.613 694 HD3 LYS 87 HD3 LYS 87 -6.060 -38.617 -5.280 695 HE2 LYS 87 HE2 LYS 87 -5.142 -40.077 -7.025 696 HE3 LYS 87 HE3 LYS 87 -4.756 -38.392 -7.374 697 HZ1 LYS 87 HZ1 LYS 87 -2.901 -40.352 -6.135 698 HZ2 LYS 87 HZ2 LYS 87 -2.531 -38.749 -6.520 699 HZ3 LYS 87 HZ3 LYS 87 -2.866 -39.858 -7.748 700 H GLN 88 H GLN 88 -2.477 -36.119 -0.552 701 HA GLN 88 HA GLN 88 -0.384 -36.459 0.171 702 HB2 GLN 88 HB2 GLN 88 -0.718 -38.651 -1.153 703 HB3 GLN 88 HB3 GLN 88 0.225 -37.915 -2.442 704 HG2 GLN 88 HG2 GLN 88 2.143 -37.682 -0.854 705 HG3 GLN 88 HG3 GLN 88 1.194 -38.503 0.378 706 HE21 GLN 88 HE21 GLN 88 0.846 -40.745 0.189 707 HE22 GLN 88 HE22 GLN 88 1.766 -41.724 -0.896 708 H GLN 89 H GLN 89 -1.054 -34.062 -1.473 709 HA GLN 89 HA GLN 89 1.705 -33.122 -1.896 710 HB2 GLN 89 HB2 GLN 89 0.840 -33.738 -4.145 711 HB3 GLN 89 HB3 GLN 89 -0.553 -32.696 -3.909 712 HG2 GLN 89 HG2 GLN 89 0.997 -31.548 -5.340 713 HG3 GLN 89 HG3 GLN 89 0.994 -30.727 -3.784 714 HE21 GLN 89 HE21 GLN 89 3.004 -30.598 -5.833 715 HE22 GLN 89 HE22 GLN 89 4.479 -31.174 -5.141 716 H LYS 90 H LYS 90 2.064 -31.224 -0.956 717 HA LYS 90 HA LYS 90 -0.055 -29.218 -0.562 718 HB2 LYS 90 HB2 LYS 90 1.660 -30.391 1.681 719 HB3 LYS 90 HB3 LYS 90 0.836 -28.844 1.838 720 HG2 LYS 90 HG2 LYS 90 -0.560 -31.494 1.335 721 HG3 LYS 90 HG3 LYS 90 -0.354 -30.748 2.926 722 HD2 LYS 90 HD2 LYS 90 -1.674 -28.784 2.182 723 HD3 LYS 90 HD3 LYS 90 -1.861 -29.506 0.578 724 HE2 LYS 90 HE2 LYS 90 -3.165 -31.343 1.521 725 HE3 LYS 90 HE3 LYS 90 -2.897 -30.739 3.158 726 HZ1 LYS 90 HZ1 LYS 90 -4.393 -29.350 1.010 727 HZ2 LYS 90 HZ2 LYS 90 -4.096 -28.723 2.545 728 HZ3 LYS 90 HZ3 LYS 90 -5.057 -30.103 2.368 729 H THR 91 H THR 91 0.764 -27.248 -1.178 730 HA THR 91 HA THR 91 3.661 -26.801 -1.300 731 HB THR 91 HB THR 91 1.409 -24.847 -1.951 732 HG1 THR 91 HG1 THR 91 1.126 -26.443 -3.393 733 HG21 THR 91 HG21 THR 91 4.336 -24.867 -2.788 734 HG22 THR 91 HG22 THR 91 3.614 -23.755 -1.621 735 HG23 THR 91 HG23 THR 91 3.128 -23.699 -3.318 736 H LEU 92 H LEU 92 0.785 -25.492 0.289 737 HA LEU 92 HA LEU 92 0.361 -24.290 2.125 738 HB2 LEU 92 HB2 LEU 92 1.084 -26.360 3.213 739 HB3 LEU 92 HB3 LEU 92 2.756 -25.819 3.188 740 HG LEU 92 HG LEU 92 2.119 -23.931 4.749 741 HD11 LEU 92 HD11 LEU 92 -0.011 -24.014 5.960 742 HD12 LEU 92 HD12 LEU 92 -0.560 -25.338 4.929 743 HD13 LEU 92 HD13 LEU 92 -0.256 -23.742 4.236 744 HD21 LEU 92 HD21 LEU 92 1.981 -25.307 6.772 745 HD22 LEU 92 HD22 LEU 92 3.143 -25.968 5.625 746 HD23 LEU 92 HD23 LEU 92 1.553 -26.717 5.798 747 H LYS 93 H LYS 93 0.739 -22.249 1.286 748 HA LYS 93 HA LYS 93 3.320 -20.928 1.584 749 HB2 LYS 93 HB2 LYS 93 2.122 -18.939 0.711 750 HB3 LYS 93 HB3 LYS 93 1.891 -20.346 -0.319 751 HG2 LYS 93 HG2 LYS 93 -0.353 -20.690 0.694 752 HG3 LYS 93 HG3 LYS 93 -0.118 -19.245 1.677 753 HD2 LYS 93 HD2 LYS 93 -0.203 -19.308 -1.369 754 HD3 LYS 93 HD3 LYS 93 -1.547 -18.850 -0.322 755 HE2 LYS 93 HE2 LYS 93 -0.626 -16.799 -1.017 756 HE3 LYS 93 HE3 LYS 93 0.022 -17.016 0.602 757 HZ1 LYS 93 HZ1 LYS 93 1.488 -17.681 -1.892 758 HZ2 LYS 93 HZ2 LYS 93 2.114 -17.667 -0.323 759 HZ3 LYS 93 HZ3 LYS 93 1.640 -16.226 -1.056 760 H GLN 94 H GLN 94 3.846 -19.376 3.158 761 HA GLN 94 HA GLN 94 2.270 -19.466 5.616 762 HB2 GLN 94 HB2 GLN 94 4.783 -19.745 5.636 763 HB3 GLN 94 HB3 GLN 94 4.936 -18.068 5.130 764 HG2 GLN 94 HG2 GLN 94 5.299 -18.368 7.565 765 HG3 GLN 94 HG3 GLN 94 3.954 -17.290 7.216 766 HE21 GLN 94 HE21 GLN 94 1.880 -17.889 7.827 767 HE22 GLN 94 HE22 GLN 94 1.549 -19.262 8.821 768 H SER 95 H SER 95 0.470 -18.290 5.070 769 HA SER 95 HA SER 95 0.637 -15.395 5.228 770 HB2 SER 95 HB2 SER 95 0.814 -15.837 2.758 771 HB3 SER 95 HB3 SER 95 -0.700 -16.734 2.812 772 HG SER 95 HG SER 95 -0.880 -14.223 3.894 773 H ASP 96 H ASP 96 -0.314 -15.977 7.242 774 HA ASP 96 HA ASP 96 -2.865 -17.352 7.366 775 HB2 ASP 96 HB2 ASP 96 -2.719 -16.830 9.849 776 HB3 ASP 96 HB3 ASP 96 -1.384 -17.775 9.210 777 H THR 97 H THR 97 -4.076 -16.035 5.999 778 HA THR 97 HA THR 97 -4.567 -13.235 6.586 779 HB THR 97 HB THR 97 -6.073 -13.368 4.560 780 HG1 THR 97 HG1 THR 97 -6.649 -15.584 4.698 781 HG21 THR 97 HG21 THR 97 -4.268 -13.731 2.900 782 HG22 THR 97 HG22 THR 97 -3.268 -14.475 4.151 783 HG23 THR 97 HG23 THR 97 -3.699 -12.767 4.265 784 H LYS 98 H LYS 98 -5.671 -13.041 8.458 785 HA LYS 98 HA LYS 98 -8.494 -13.902 8.556 786 HB2 LYS 98 HB2 LYS 98 -7.319 -15.538 9.970 787 HB3 LYS 98 HB3 LYS 98 -6.438 -14.252 10.789 788 HG2 LYS 98 HG2 LYS 98 -8.625 -13.418 11.714 789 HG3 LYS 98 HG3 LYS 98 -9.417 -14.829 11.001 790 HD2 LYS 98 HD2 LYS 98 -8.089 -16.335 12.412 791 HD3 LYS 98 HD3 LYS 98 -7.152 -14.976 13.040 792 HE2 LYS 98 HE2 LYS 98 -9.169 -14.067 14.115 793 HE3 LYS 98 HE3 LYS 98 -10.134 -15.388 13.457 794 HZ1 LYS 98 HZ1 LYS 98 -8.790 -16.938 14.747 795 HZ2 LYS 98 HZ2 LYS 98 -9.546 -15.805 15.746 796 HZ3 LYS 98 HZ3 LYS 98 -7.901 -15.656 15.395 797 H VAL 99 H VAL 99 -9.643 -12.049 8.742 798 HA VAL 99 HA VAL 99 -8.564 -9.789 10.346 799 HB VAL 99 HB VAL 99 -10.405 -9.555 7.911 800 HG11 VAL 99 HG11 VAL 99 -9.070 -7.374 9.571 801 HG12 VAL 99 HG12 VAL 99 -10.794 -7.753 9.540 802 HG13 VAL 99 HG13 VAL 99 -10.010 -7.107 8.098 803 HG21 VAL 99 HG21 VAL 99 -8.481 -8.549 6.721 804 HG22 VAL 99 HG22 VAL 99 -8.132 -10.210 7.211 805 HG23 VAL 99 HG23 VAL 99 -7.447 -8.861 8.120 Start of MODEL 17 1 H2 GLY 1 H2 GLY 1 19.955 24.050 23.035 2 H GLY 1 H1 GLY 1 18.674 24.041 21.929 3 H3 GLY 1 H3 GLY 1 19.494 22.610 22.287 4 HA2 GLY 1 HA2 GLY 1 20.665 24.970 20.922 5 HA3 GLY 1 HA3 GLY 1 21.528 23.488 21.315 6 H VAL 2 H VAL 2 21.226 24.609 18.700 7 HA VAL 2 HA VAL 2 20.549 24.303 16.581 8 HB VAL 2 HB VAL 2 20.191 21.373 17.383 9 HG11 VAL 2 HG11 VAL 2 19.099 21.828 15.226 10 HG12 VAL 2 HG12 VAL 2 20.552 20.858 14.971 11 HG13 VAL 2 HG13 VAL 2 20.570 22.588 14.615 12 HG21 VAL 2 HG21 VAL 2 22.465 22.177 17.904 13 HG22 VAL 2 HG22 VAL 2 22.648 22.779 16.256 14 HG23 VAL 2 HG23 VAL 2 22.507 21.044 16.550 15 H GLU 3 H GLU 3 18.749 25.665 16.921 16 HA GLU 3 HA GLU 3 16.198 24.469 16.260 17 HB2 GLU 3 HB2 GLU 3 16.094 24.414 18.722 18 HB3 GLU 3 HB3 GLU 3 16.532 26.116 18.817 19 HG2 GLU 3 HG2 GLU 3 14.413 26.773 17.805 20 HG3 GLU 3 HG3 GLU 3 13.977 25.090 17.515 21 H LYS 4 H LYS 4 14.870 25.888 15.176 22 HA LYS 4 HA LYS 4 15.788 28.668 14.724 23 HB2 LYS 4 HB2 LYS 4 14.151 26.847 12.891 24 HB3 LYS 4 HB3 LYS 4 14.594 28.516 12.537 25 HG2 LYS 4 HG2 LYS 4 16.988 27.873 12.522 26 HG3 LYS 4 HG3 LYS 4 16.538 26.200 12.872 27 HD2 LYS 4 HD2 LYS 4 15.331 26.064 10.718 28 HD3 LYS 4 HD3 LYS 4 15.723 27.753 10.375 29 HE2 LYS 4 HE2 LYS 4 17.721 25.479 10.657 30 HE3 LYS 4 HE3 LYS 4 17.223 26.243 9.149 31 HZ1 LYS 4 HZ1 LYS 4 18.679 27.563 11.375 32 HZ2 LYS 4 HZ2 LYS 4 18.163 28.331 9.963 33 HZ3 LYS 4 HZ3 LYS 4 19.330 27.112 9.881 34 H THR 5 H THR 5 14.624 29.777 16.238 35 HA THR 5 HA THR 5 11.900 29.208 16.953 36 HB THR 5 HB THR 5 12.021 31.408 18.200 37 HG1 THR 5 HG1 THR 5 13.630 32.746 17.881 38 HG21 THR 5 HG21 THR 5 14.373 29.541 18.716 39 HG22 THR 5 HG22 THR 5 12.732 29.326 19.335 40 HG23 THR 5 HG23 THR 5 13.701 30.702 19.864 41 H ALA 6 H ALA 6 13.501 31.429 14.739 42 HA ALA 6 HA ALA 6 11.088 32.652 13.751 43 HB1 ALA 6 HB1 ALA 6 12.550 33.538 11.949 44 HB2 ALA 6 HB2 ALA 6 13.883 32.535 12.528 45 HB3 ALA 6 HB3 ALA 6 13.245 33.829 13.546 46 H GLY 7 H GLY 7 9.599 31.362 12.818 47 HA2 GLY 7 HA2 GLY 7 10.145 29.791 10.486 48 HA3 GLY 7 HA3 GLY 7 9.846 28.772 11.891 49 H GLU 8 H GLU 8 8.330 29.253 9.350 50 HA GLU 8 HA GLU 8 6.246 29.392 8.530 51 HB2 GLU 8 HB2 GLU 8 5.389 28.939 11.416 52 HB3 GLU 8 HB3 GLU 8 4.340 28.774 10.009 53 HG2 GLU 8 HG2 GLU 8 5.849 26.947 9.174 54 HG3 GLU 8 HG3 GLU 8 6.757 27.060 10.682 55 H THR 9 H THR 9 7.554 31.878 9.365 56 HA THR 9 HA THR 9 5.841 33.839 10.385 57 HB THR 9 HB THR 9 7.962 34.148 8.198 58 HG1 THR 9 HG1 THR 9 8.147 34.271 11.041 59 HG21 THR 9 HG21 THR 9 6.865 36.240 10.126 60 HG22 THR 9 HG22 THR 9 6.561 36.189 8.384 61 HG23 THR 9 HG23 THR 9 8.192 36.480 8.995 62 H SER 10 H SER 10 6.191 32.585 7.102 63 HA SER 10 HA SER 10 3.478 33.545 6.408 64 HB2 SER 10 HB2 SER 10 5.892 33.326 4.528 65 HB3 SER 10 HB3 SER 10 4.252 33.761 4.040 66 HG SER 10 HG SER 10 5.821 35.210 5.915 67 H ALA 11 H ALA 11 2.759 31.548 7.285 68 HA ALA 11 HA ALA 11 3.706 28.974 6.534 69 HB1 ALA 11 HB1 ALA 11 1.694 28.113 7.660 70 HB2 ALA 11 HB2 ALA 11 1.010 29.740 7.724 71 HB3 ALA 11 HB3 ALA 11 2.473 29.358 8.638 72 H THR 12 H THR 12 1.363 31.144 5.132 73 HA THR 12 HA THR 12 0.202 31.238 3.218 74 HB THR 12 HB THR 12 2.382 29.431 2.112 75 HG1 THR 12 HG1 THR 12 3.479 31.052 3.057 76 HG21 THR 12 HG21 THR 12 2.064 30.671 0.002 77 HG22 THR 12 HG22 THR 12 0.752 31.604 0.724 78 HG23 THR 12 HG23 THR 12 0.568 29.864 0.473 79 H ASP 13 H ASP 13 1.280 27.881 2.623 80 HA ASP 13 HA ASP 13 -1.546 26.988 2.497 81 HB2 ASP 13 HB2 ASP 13 -0.866 27.286 0.204 82 HB3 ASP 13 HB3 ASP 13 0.688 26.504 0.479 83 H THR 14 H THR 14 -1.944 24.860 3.074 84 HA THR 14 HA THR 14 -1.840 22.960 4.233 85 HB THR 14 HB THR 14 1.123 22.797 3.513 86 HG1 THR 14 HG1 THR 14 0.014 23.113 1.601 87 HG21 THR 14 HG21 THR 14 -0.918 20.594 4.035 88 HG22 THR 14 HG22 THR 14 0.383 21.067 5.129 89 HG23 THR 14 HG23 THR 14 0.766 20.348 3.563 90 H GLY 15 H GLY 15 1.514 23.788 5.153 91 HA2 GLY 15 HA2 GLY 15 2.506 24.481 7.078 92 HA3 GLY 15 HA3 GLY 15 1.036 25.369 7.421 93 H LYS 16 H LYS 16 -0.554 24.419 8.729 94 HA LYS 16 HA LYS 16 0.409 22.757 10.868 95 HB2 LYS 16 HB2 LYS 16 -2.207 24.193 10.293 96 HB3 LYS 16 HB3 LYS 16 -2.139 23.011 11.588 97 HG2 LYS 16 HG2 LYS 16 -1.849 25.334 12.398 98 HG3 LYS 16 HG3 LYS 16 -0.478 24.290 12.784 99 HD2 LYS 16 HD2 LYS 16 0.762 25.272 10.828 100 HD3 LYS 16 HD3 LYS 16 -0.593 26.369 10.554 101 HE2 LYS 16 HE2 LYS 16 -0.215 27.434 12.712 102 HE3 LYS 16 HE3 LYS 16 1.034 26.250 13.111 103 HZ1 LYS 16 HZ1 LYS 16 2.408 27.081 11.382 104 HZ2 LYS 16 HZ2 LYS 16 1.905 28.396 12.315 105 HZ3 LYS 16 HZ3 LYS 16 1.198 28.107 10.809 106 H ARG 17 H ARG 17 -1.735 22.342 8.090 107 HA ARG 17 HA ARG 17 -2.684 19.737 8.637 108 HB2 ARG 17 HB2 ARG 17 -3.721 21.220 6.920 109 HB3 ARG 17 HB3 ARG 17 -2.280 21.069 5.921 110 HG2 ARG 17 HG2 ARG 17 -2.725 18.592 5.761 111 HG3 ARG 17 HG3 ARG 17 -4.225 18.847 6.651 112 HD2 ARG 17 HD2 ARG 17 -5.060 20.289 4.831 113 HD3 ARG 17 HD3 ARG 17 -3.544 20.062 3.949 114 HE ARG 17 HE ARG 17 -4.790 17.563 4.574 115 HH11 ARG 17 HH11 ARG 17 -4.978 20.234 2.272 116 HH12 ARG 17 HH12 ARG 17 -5.696 19.258 1.032 117 HH21 ARG 17 HH21 ARG 17 -5.753 16.324 2.936 118 HH22 ARG 17 HH22 ARG 17 -6.137 17.046 1.411 119 H GLU 18 H GLU 18 0.414 20.895 7.456 120 HA GLU 18 HA GLU 18 1.327 18.691 5.978 121 HB2 GLU 18 HB2 GLU 18 2.498 20.893 6.023 122 HB3 GLU 18 HB3 GLU 18 3.016 20.580 7.678 123 HG2 GLU 18 HG2 GLU 18 4.278 18.577 6.867 124 HG3 GLU 18 HG3 GLU 18 3.818 18.980 5.217 125 H LYS 19 H LYS 19 1.434 19.329 9.462 126 HA LYS 19 HA LYS 19 3.033 17.082 10.195 127 HB2 LYS 19 HB2 LYS 19 1.052 18.651 11.897 128 HB3 LYS 19 HB3 LYS 19 2.294 17.550 12.503 129 HG2 LYS 19 HG2 LYS 19 4.039 19.052 11.508 130 HG3 LYS 19 HG3 LYS 19 2.756 20.184 11.060 131 HD2 LYS 19 HD2 LYS 19 3.457 19.303 13.891 132 HD3 LYS 19 HD3 LYS 19 3.869 20.857 13.166 133 HE2 LYS 19 HE2 LYS 19 1.459 21.402 12.983 134 HE3 LYS 19 HE3 LYS 19 1.052 19.842 13.709 135 HZ1 LYS 19 HZ1 LYS 19 2.119 20.497 15.742 136 HZ2 LYS 19 HZ2 LYS 19 1.041 21.723 15.310 137 HZ3 LYS 19 HZ3 LYS 19 2.698 21.924 15.056 138 H GLN 20 H GLN 20 -0.433 17.629 9.873 139 HA GLN 20 HA GLN 20 -1.312 15.126 10.969 140 HB2 GLN 20 HB2 GLN 20 -2.953 16.710 8.959 141 HB3 GLN 20 HB3 GLN 20 -3.512 15.778 10.345 142 HG2 GLN 20 HG2 GLN 20 -2.170 18.496 10.369 143 HG3 GLN 20 HG3 GLN 20 -3.843 18.136 10.779 144 HE21 GLN 20 HE21 GLN 20 -1.647 19.445 12.312 145 HE22 GLN 20 HE22 GLN 20 -1.572 18.585 13.807 146 H LEU 21 H LEU 21 -0.324 16.315 7.865 147 HA LEU 21 HA LEU 21 -1.054 14.078 6.248 148 HB2 LEU 21 HB2 LEU 21 -0.792 16.426 5.428 149 HB3 LEU 21 HB3 LEU 21 0.929 16.335 5.716 150 HG LEU 21 HG LEU 21 -0.399 14.430 3.745 151 HD11 LEU 21 HD11 LEU 21 0.034 15.997 1.916 152 HD12 LEU 21 HD12 LEU 21 0.564 17.225 3.070 153 HD13 LEU 21 HD13 LEU 21 -1.114 16.673 3.074 154 HD21 LEU 21 HD21 LEU 21 2.429 15.554 3.843 155 HD22 LEU 21 HD22 LEU 21 1.807 14.424 2.637 156 HD23 LEU 21 HD23 LEU 21 1.943 13.926 4.319 157 H GLN 22 H GLN 22 1.794 15.033 8.176 158 HA GLN 22 HA GLN 22 3.569 12.999 7.275 159 HB2 GLN 22 HB2 GLN 22 3.498 14.262 10.062 160 HB3 GLN 22 HB3 GLN 22 4.829 13.321 9.394 161 HG2 GLN 22 HG2 GLN 22 3.881 16.046 8.495 162 HG3 GLN 22 HG3 GLN 22 5.387 15.664 9.317 163 HE21 GLN 22 HE21 GLN 22 4.792 16.962 6.708 164 HE22 GLN 22 HE22 GLN 22 5.738 16.100 5.548 165 H GLN 23 H GLN 23 1.194 13.161 9.906 166 HA GLN 23 HA GLN 23 1.515 10.618 11.036 167 HB2 GLN 23 HB2 GLN 23 -1.009 12.320 10.820 168 HB3 GLN 23 HB3 GLN 23 -0.862 10.891 11.842 169 HG2 GLN 23 HG2 GLN 23 0.870 11.976 13.170 170 HG3 GLN 23 HG3 GLN 23 0.825 13.393 12.119 171 HE21 GLN 23 HE21 GLN 23 0.321 14.733 13.879 172 HE22 GLN 23 HE22 GLN 23 -1.240 14.742 14.619 173 H TRP 24 H TRP 24 -0.641 11.732 8.446 174 HA TRP 24 HA TRP 24 -1.937 9.295 7.848 175 HB2 TRP 24 HB2 TRP 24 -2.839 11.493 7.180 176 HB3 TRP 24 HB3 TRP 24 -1.445 11.790 6.151 177 HD1 TRP 24 HD1 TRP 24 -3.233 8.380 5.952 178 HE1 TRP 24 HE1 TRP 24 -4.432 8.219 3.675 179 HE3 TRP 24 HE3 TRP 24 -2.547 13.185 4.315 180 HZ2 TRP 24 HZ2 TRP 24 -5.024 9.895 1.504 181 HZ3 TRP 24 HZ3 TRP 24 -3.480 13.830 2.128 182 HH2 TRP 24 HH2 TRP 24 -4.693 12.216 0.750 183 H LYS 25 H LYS 25 0.978 10.834 6.532 184 HA LYS 25 HA LYS 25 1.649 9.111 4.430 185 HB2 LYS 25 HB2 LYS 25 2.611 11.328 4.742 186 HB3 LYS 25 HB3 LYS 25 3.275 10.869 6.301 187 HG2 LYS 25 HG2 LYS 25 4.838 9.305 5.128 188 HG3 LYS 25 HG3 LYS 25 4.218 9.901 3.581 189 HD2 LYS 25 HD2 LYS 25 5.582 11.579 5.725 190 HD3 LYS 25 HD3 LYS 25 6.314 11.026 4.228 191 HE2 LYS 25 HE2 LYS 25 3.917 12.879 4.369 192 HE3 LYS 25 HE3 LYS 25 5.576 13.410 4.156 193 HZ1 LYS 25 HZ1 LYS 25 4.128 11.624 2.289 194 HZ2 LYS 25 HZ2 LYS 25 5.690 12.230 2.077 195 HZ3 LYS 25 HZ3 LYS 25 4.366 13.276 2.062 196 H ASN 26 H ASN 26 2.549 9.120 7.856 197 HA ASN 26 HA ASN 26 4.169 6.821 7.940 198 HB2 ASN 26 HB2 ASN 26 2.472 8.132 10.116 199 HB3 ASN 26 HB3 ASN 26 3.592 6.806 10.429 200 HD21 ASN 26 HD21 ASN 26 3.537 9.624 11.366 201 HD22 ASN 26 HD22 ASN 26 5.097 10.257 10.986 202 H ASN 27 H ASN 27 0.661 7.296 8.379 203 HA ASN 27 HA ASN 27 0.018 4.734 9.349 204 HB2 ASN 27 HB2 ASN 27 -1.717 6.765 7.875 205 HB3 ASN 27 HB3 ASN 27 -2.352 5.305 8.622 206 HD21 ASN 27 HD21 ASN 27 -0.565 5.517 10.979 207 HD22 ASN 27 HD22 ASN 27 -1.210 6.806 11.919 208 H LEU 28 H LEU 28 -0.086 6.112 6.072 209 HA LEU 28 HA LEU 28 -1.169 3.949 4.692 210 HB2 LEU 28 HB2 LEU 28 0.779 6.071 3.700 211 HB3 LEU 28 HB3 LEU 28 -0.077 4.953 2.649 212 HG LEU 28 HG LEU 28 -1.333 7.130 4.358 213 HD11 LEU 28 HD11 LEU 28 -1.119 6.907 1.339 214 HD12 LEU 28 HD12 LEU 28 -0.205 8.009 2.373 215 HD13 LEU 28 HD13 LEU 28 -1.953 8.183 2.238 216 HD21 LEU 28 HD21 LEU 28 -2.693 5.116 2.548 217 HD22 LEU 28 HD22 LEU 28 -3.471 6.501 3.327 218 HD23 LEU 28 HD23 LEU 28 -2.803 5.202 4.311 219 H LYS 29 H LYS 29 2.271 4.737 5.323 220 HA LYS 29 HA LYS 29 3.398 2.540 3.891 221 HB2 LYS 29 HB2 LYS 29 4.591 4.165 6.168 222 HB3 LYS 29 HB3 LYS 29 5.492 3.074 5.110 223 HG2 LYS 29 HG2 LYS 29 4.930 4.508 3.171 224 HG3 LYS 29 HG3 LYS 29 4.063 5.612 4.246 225 HD2 LYS 29 HD2 LYS 29 7.026 4.936 4.398 226 HD3 LYS 29 HD3 LYS 29 6.346 6.425 3.740 227 HE2 LYS 29 HE2 LYS 29 5.527 7.087 5.926 228 HE3 LYS 29 HE3 LYS 29 5.972 5.524 6.617 229 HZ1 LYS 29 HZ1 LYS 29 7.561 7.350 7.088 230 HZ2 LYS 29 HZ2 LYS 29 7.935 7.407 5.439 231 HZ3 LYS 29 HZ3 LYS 29 8.262 6.011 6.331 232 H ASN 30 H ASN 30 2.344 2.962 7.242 233 HA ASN 30 HA ASN 30 3.354 0.528 8.285 234 HB2 ASN 30 HB2 ASN 30 1.130 2.380 9.197 235 HB3 ASN 30 HB3 ASN 30 1.346 0.819 9.983 236 HD21 ASN 30 HD21 ASN 30 2.364 4.047 9.939 237 HD22 ASN 30 HD22 ASN 30 3.707 3.890 11.009 238 H ASP 31 H ASP 31 0.309 1.383 6.675 239 HA ASP 31 HA ASP 31 -0.924 -1.182 6.921 240 HB2 ASP 31 HB2 ASP 31 -1.485 1.003 4.871 241 HB3 ASP 31 HB3 ASP 31 -2.513 -0.392 5.189 242 H VAL 32 H VAL 32 1.085 0.358 4.433 243 HA VAL 32 HA VAL 32 1.013 -1.609 2.425 244 HB VAL 32 HB VAL 32 3.193 0.405 3.169 245 HG11 VAL 32 HG11 VAL 32 3.104 -1.312 0.662 246 HG12 VAL 32 HG12 VAL 32 4.293 -1.430 1.959 247 HG13 VAL 32 HG13 VAL 32 4.227 0.020 0.958 248 HG21 VAL 32 HG21 VAL 32 1.192 0.427 0.878 249 HG22 VAL 32 HG22 VAL 32 2.371 1.690 1.246 250 HG23 VAL 32 HG23 VAL 32 1.050 1.363 2.365 251 H ASP 33 H ASP 33 2.973 -1.291 5.328 252 HA ASP 33 HA ASP 33 4.623 -3.595 4.975 253 HB2 ASP 33 HB2 ASP 33 5.241 -1.682 6.455 254 HB3 ASP 33 HB3 ASP 33 3.888 -2.055 7.513 255 H ASN 34 H ASN 34 1.496 -2.956 6.560 256 HA ASN 34 HA ASN 34 1.226 -5.442 7.954 257 HB2 ASN 34 HB2 ASN 34 -0.882 -3.371 7.183 258 HB3 ASN 34 HB3 ASN 34 -1.220 -4.769 8.201 259 HD21 ASN 34 HD21 ASN 34 -1.496 -1.957 8.848 260 HD22 ASN 34 HD22 ASN 34 -0.484 -1.669 10.217 261 H THR 35 H THR 35 0.360 -4.368 4.737 262 HA THR 35 HA THR 35 -1.425 -6.550 4.118 263 HB THR 35 HB THR 35 -1.247 -5.609 1.750 264 HG1 THR 35 HG1 THR 35 0.827 -4.311 2.833 265 HG21 THR 35 HG21 THR 35 -2.541 -3.547 2.240 266 HG22 THR 35 HG22 THR 35 -2.051 -3.640 3.933 267 HG23 THR 35 HG23 THR 35 -3.079 -4.898 3.242 268 H ILE 36 H ILE 36 -0.983 -8.060 2.291 269 HA ILE 36 HA ILE 36 1.530 -9.431 2.775 270 HB ILE 36 HB ILE 36 0.617 -11.308 1.476 271 HG12 ILE 36 HG12 ILE 36 -1.870 -9.621 0.905 272 HG13 ILE 36 HG13 ILE 36 -0.590 -9.906 -0.268 273 HG21 ILE 36 HG21 ILE 36 -1.315 -11.899 2.865 274 HG22 ILE 36 HG22 ILE 36 -1.510 -10.213 3.348 275 HG23 ILE 36 HG23 ILE 36 -0.070 -11.112 3.842 276 HD11 ILE 36 HD11 ILE 36 -2.499 -11.368 -0.643 277 HD12 ILE 36 HD12 ILE 36 -2.320 -12.051 0.972 278 HD13 ILE 36 HD13 ILE 36 -1.057 -12.295 -0.237 279 H LEU 37 H LEU 37 1.551 -6.885 1.125 280 HA LEU 37 HA LEU 37 2.152 -7.419 -1.572 281 HB2 LEU 37 HB2 LEU 37 3.436 -5.222 0.096 282 HB3 LEU 37 HB3 LEU 37 3.233 -5.248 -1.646 283 HG LEU 37 HG LEU 37 1.088 -4.823 0.460 284 HD11 LEU 37 HD11 LEU 37 0.810 -2.634 -0.607 285 HD12 LEU 37 HD12 LEU 37 2.114 -3.011 -1.741 286 HD13 LEU 37 HD13 LEU 37 2.453 -2.866 -0.014 287 HD21 LEU 37 HD21 LEU 37 0.670 -5.137 -2.528 288 HD22 LEU 37 HD22 LEU 37 -0.542 -4.556 -1.378 289 HD23 LEU 37 HD23 LEU 37 0.073 -6.200 -1.246 290 H SER 38 H SER 38 4.139 -7.773 -2.632 291 HA SER 38 HA SER 38 6.168 -9.261 -1.281 292 HB2 SER 38 HB2 SER 38 5.676 -9.601 -3.678 293 HB3 SER 38 HB3 SER 38 6.197 -7.955 -4.037 294 HG SER 38 HG SER 38 7.942 -9.162 -4.472 295 H HIS 39 H HIS 39 8.540 -8.601 -1.344 296 HA HIS 39 HA HIS 39 8.966 -6.379 0.312 297 HB2 HIS 39 HB2 HIS 39 10.489 -8.331 0.234 298 HB3 HIS 39 HB3 HIS 39 10.981 -7.904 -1.401 299 HD1 HIS 39 HD1 HIS 39 11.265 -6.646 2.163 300 HD2 HIS 39 HD2 HIS 39 13.089 -6.108 -1.533 301 HE1 HIS 39 HE1 HIS 39 13.315 -5.282 2.611 302 HE2 HIS 39 HE2 HIS 39 14.462 -5.077 0.389 303 H GLU 40 H GLU 40 9.188 -6.701 -3.198 304 HA GLU 40 HA GLU 40 10.445 -4.179 -3.709 305 HB2 GLU 40 HB2 GLU 40 8.768 -5.788 -5.680 306 HB3 GLU 40 HB3 GLU 40 10.040 -4.628 -6.052 307 HG2 GLU 40 HG2 GLU 40 10.371 -7.377 -4.819 308 HG3 GLU 40 HG3 GLU 40 10.835 -6.880 -6.440 309 H GLN 41 H GLN 41 7.065 -5.367 -3.989 310 HA GLN 41 HA GLN 41 5.847 -2.990 -4.841 311 HB2 GLN 41 HB2 GLN 41 4.730 -5.359 -3.297 312 HB3 GLN 41 HB3 GLN 41 3.715 -4.030 -3.845 313 HG2 GLN 41 HG2 GLN 41 5.401 -5.655 -5.764 314 HG3 GLN 41 HG3 GLN 41 3.789 -6.157 -5.275 315 HE21 GLN 41 HE21 GLN 41 4.831 -2.787 -6.043 316 HE22 GLN 41 HE22 GLN 41 3.773 -2.636 -7.387 317 H LYS 42 H LYS 42 6.475 -4.217 -1.575 318 HA LYS 42 HA LYS 42 5.210 -2.215 -0.089 319 HB2 LYS 42 HB2 LYS 42 7.398 -4.214 0.499 320 HB3 LYS 42 HB3 LYS 42 7.145 -2.912 1.661 321 HG2 LYS 42 HG2 LYS 42 4.890 -3.580 2.060 322 HG3 LYS 42 HG3 LYS 42 4.923 -4.738 0.724 323 HD2 LYS 42 HD2 LYS 42 6.590 -6.100 1.966 324 HD3 LYS 42 HD3 LYS 42 6.537 -4.940 3.299 325 HE2 LYS 42 HE2 LYS 42 4.163 -5.454 3.663 326 HE3 LYS 42 HE3 LYS 42 4.182 -6.574 2.299 327 HZ1 LYS 42 HZ1 LYS 42 5.718 -6.851 4.823 328 HZ2 LYS 42 HZ2 LYS 42 5.828 -7.901 3.504 329 HZ3 LYS 42 HZ3 LYS 42 4.378 -7.762 4.356 330 H ASN 43 H ASN 43 8.608 -2.523 -1.103 331 HA ASN 43 HA ASN 43 9.456 -0.065 0.000 332 HB2 ASN 43 HB2 ASN 43 10.726 -1.884 -2.068 333 HB3 ASN 43 HB3 ASN 43 11.512 -0.418 -1.497 334 HD21 ASN 43 HD21 ASN 43 12.577 -3.007 -1.171 335 HD22 ASN 43 HD22 ASN 43 12.659 -3.345 0.518 336 H GLU 44 H GLU 44 7.991 -0.815 -3.111 337 HA GLU 44 HA GLU 44 8.543 1.630 -4.448 338 HB2 GLU 44 HB2 GLU 44 6.335 -0.435 -4.722 339 HB3 GLU 44 HB3 GLU 44 6.289 1.045 -5.677 340 HG2 GLU 44 HG2 GLU 44 8.281 0.492 -6.832 341 HG3 GLU 44 HG3 GLU 44 8.665 -0.820 -5.712 342 H PHE 45 H PHE 45 5.608 0.571 -2.648 343 HA PHE 45 HA PHE 45 4.312 3.080 -2.881 344 HB2 PHE 45 HB2 PHE 45 3.760 0.709 -1.053 345 HB3 PHE 45 HB3 PHE 45 2.751 2.151 -1.065 346 HD1 PHE 45 HD1 PHE 45 1.898 2.889 -3.493 347 HD2 PHE 45 HD2 PHE 45 3.082 -1.087 -2.431 348 HE1 PHE 45 HE1 PHE 45 0.565 1.983 -5.347 349 HE2 PHE 45 HE2 PHE 45 1.750 -1.981 -4.295 350 HZ PHE 45 HZ PHE 45 0.490 -0.446 -5.755 351 H LYS 46 H LYS 46 6.144 1.645 -0.195 352 HA LYS 46 HA LYS 46 5.829 3.575 1.772 353 HB2 LYS 46 HB2 LYS 46 8.123 1.689 1.155 354 HB3 LYS 46 HB3 LYS 46 8.122 2.709 2.590 355 HG2 LYS 46 HG2 LYS 46 6.295 1.549 3.572 356 HG3 LYS 46 HG3 LYS 46 5.820 0.816 2.037 357 HD2 LYS 46 HD2 LYS 46 6.863 -0.877 3.456 358 HD3 LYS 46 HD3 LYS 46 7.881 -0.561 2.053 359 HE2 LYS 46 HE2 LYS 46 9.189 1.043 3.619 360 HE3 LYS 46 HE3 LYS 46 8.326 0.234 4.925 361 HZ1 LYS 46 HZ1 LYS 46 10.466 -0.789 4.555 362 HZ2 LYS 46 HZ2 LYS 46 10.095 -1.089 2.933 363 HZ3 LYS 46 HZ3 LYS 46 9.239 -1.875 4.161 364 H THR 47 H THR 47 8.285 3.457 -0.871 365 HA THR 47 HA THR 47 9.601 5.887 -0.207 366 HB THR 47 HB THR 47 9.379 4.525 -2.930 367 HG1 THR 47 HG1 THR 47 10.923 3.268 -2.243 368 HG21 THR 47 HG21 THR 47 11.380 6.625 -1.998 369 HG22 THR 47 HG22 THR 47 10.105 6.884 -3.192 370 HG23 THR 47 HG23 THR 47 11.436 5.774 -3.538 371 H LYS 48 H LYS 48 6.993 5.143 -2.514 372 HA LYS 48 HA LYS 48 6.685 7.590 -3.797 373 HB2 LYS 48 HB2 LYS 48 4.667 5.379 -3.215 374 HB3 LYS 48 HB3 LYS 48 4.296 6.747 -4.257 375 HG2 LYS 48 HG2 LYS 48 5.845 6.047 -5.924 376 HG3 LYS 48 HG3 LYS 48 6.627 4.892 -4.839 377 HD2 LYS 48 HD2 LYS 48 4.633 3.471 -4.844 378 HD3 LYS 48 HD3 LYS 48 3.747 4.652 -5.812 379 HE2 LYS 48 HE2 LYS 48 6.239 3.197 -6.767 380 HE3 LYS 48 HE3 LYS 48 4.588 2.668 -7.102 381 HZ1 LYS 48 HZ1 LYS 48 4.175 4.704 -8.285 382 HZ2 LYS 48 HZ2 LYS 48 5.554 3.967 -8.920 383 HZ3 LYS 48 HZ3 LYS 48 5.711 5.304 -7.900 384 H ILE 49 H ILE 49 5.177 6.405 -0.824 385 HA ILE 49 HA ILE 49 3.295 8.508 -0.470 386 HB ILE 49 HB ILE 49 4.379 6.445 1.505 387 HG12 ILE 49 HG12 ILE 49 1.637 6.447 0.168 388 HG13 ILE 49 HG13 ILE 49 3.028 5.698 -0.597 389 HG21 ILE 49 HG21 ILE 49 3.475 8.375 2.752 390 HG22 ILE 49 HG22 ILE 49 2.447 6.953 2.952 391 HG23 ILE 49 HG23 ILE 49 1.958 8.246 1.856 392 HD11 ILE 49 HD11 ILE 49 1.600 4.087 0.569 393 HD12 ILE 49 HD12 ILE 49 1.924 4.906 2.097 394 HD13 ILE 49 HD13 ILE 49 3.239 4.125 1.220 395 H ASP 50 H ASP 50 6.620 7.964 0.748 396 HA ASP 50 HA ASP 50 6.763 10.297 2.405 397 HB2 ASP 50 HB2 ASP 50 8.906 8.520 1.183 398 HB3 ASP 50 HB3 ASP 50 9.343 9.974 2.077 399 H GLU 51 H GLU 51 7.455 9.656 -0.975 400 HA GLU 51 HA GLU 51 8.820 12.108 -1.567 401 HB2 GLU 51 HB2 GLU 51 7.508 10.044 -3.395 402 HB3 GLU 51 HB3 GLU 51 8.550 11.351 -3.951 403 HG2 GLU 51 HG2 GLU 51 9.442 9.163 -2.055 404 HG3 GLU 51 HG3 GLU 51 9.640 9.088 -3.801 405 H THR 52 H THR 52 5.504 11.115 -1.485 406 HA THR 52 HA THR 52 4.560 13.424 -3.064 407 HB THR 52 HB THR 52 3.091 10.887 -2.210 408 HG1 THR 52 HG1 THR 52 4.798 10.720 -3.846 409 HG21 THR 52 HG21 THR 52 1.525 12.792 -2.519 410 HG22 THR 52 HG22 THR 52 1.336 11.579 -3.787 411 HG23 THR 52 HG23 THR 52 2.206 13.075 -4.127 412 H ASN 53 H ASN 53 3.772 15.113 -1.994 413 HA ASN 53 HA ASN 53 2.291 14.790 0.569 414 HB2 ASN 53 HB2 ASN 53 3.789 17.225 -0.501 415 HB3 ASN 53 HB3 ASN 53 2.762 17.249 0.934 416 HD21 ASN 53 HD21 ASN 53 5.679 17.732 0.615 417 HD22 ASN 53 HD22 ASN 53 6.446 16.635 1.706 418 H ASP 54 H ASP 54 1.836 14.984 -2.623 419 HA ASP 54 HA ASP 54 -0.413 16.771 -2.867 420 HB2 ASP 54 HB2 ASP 54 1.025 15.936 -4.808 421 HB3 ASP 54 HB3 ASP 54 0.309 14.347 -4.598 422 H SER 55 H SER 55 -2.328 16.392 -1.899 423 HA SER 55 HA SER 55 -2.839 14.120 -0.315 424 HB2 SER 55 HB2 SER 55 -3.705 16.387 0.185 425 HB3 SER 55 HB3 SER 55 -4.785 16.282 -1.203 426 HG SER 55 HG SER 55 -5.976 14.751 -0.166 427 H ASP 56 H ASP 56 -3.970 14.998 -3.562 428 HA ASP 56 HA ASP 56 -6.000 13.008 -3.828 429 HB2 ASP 56 HB2 ASP 56 -4.402 14.408 -6.019 430 HB3 ASP 56 HB3 ASP 56 -5.898 13.511 -6.264 431 H ALA 57 H ALA 57 -2.571 13.150 -4.581 432 HA ALA 57 HA ALA 57 -2.434 10.580 -5.874 433 HB1 ALA 57 HB1 ALA 57 -0.006 10.974 -5.982 434 HB2 ALA 57 HB2 ALA 57 -0.187 12.411 -4.971 435 HB3 ALA 57 HB3 ALA 57 -0.918 12.364 -6.575 436 H LEU 58 H LEU 58 -2.030 11.753 -2.571 437 HA LEU 58 HA LEU 58 -0.830 9.329 -1.561 438 HB2 LEU 58 HB2 LEU 58 -2.140 11.712 -0.211 439 HB3 LEU 58 HB3 LEU 58 -1.611 10.315 0.717 440 HG LEU 58 HG LEU 58 0.216 12.069 -0.980 441 HD11 LEU 58 HD11 LEU 58 -0.090 11.970 2.039 442 HD12 LEU 58 HD12 LEU 58 -0.612 13.281 0.978 443 HD13 LEU 58 HD13 LEU 58 1.106 12.917 1.141 444 HD21 LEU 58 HD21 LEU 58 2.052 10.818 0.092 445 HD22 LEU 58 HD22 LEU 58 1.018 9.769 -0.872 446 HD23 LEU 58 HD23 LEU 58 0.875 9.765 0.889 447 H LEU 59 H LEU 59 -4.140 10.629 -1.751 448 HA LEU 59 HA LEU 59 -5.534 8.416 -0.682 449 HB2 LEU 59 HB2 LEU 59 -6.332 10.510 -2.743 450 HB3 LEU 59 HB3 LEU 59 -7.452 9.273 -2.196 451 HG LEU 59 HG LEU 59 -6.155 11.312 -0.346 452 HD11 LEU 59 HD11 LEU 59 -8.946 11.392 -1.531 453 HD12 LEU 59 HD12 LEU 59 -7.601 12.456 -1.955 454 HD13 LEU 59 HD13 LEU 59 -8.281 12.508 -0.331 455 HD21 LEU 59 HD21 LEU 59 -7.866 10.603 1.271 456 HD22 LEU 59 HD22 LEU 59 -6.822 9.264 0.807 457 HD23 LEU 59 HD23 LEU 59 -8.452 9.381 0.135 458 H GLU 60 H GLU 60 -4.273 9.128 -3.912 459 HA GLU 60 HA GLU 60 -5.347 6.954 -5.357 460 HB2 GLU 60 HB2 GLU 60 -4.326 8.924 -6.432 461 HB3 GLU 60 HB3 GLU 60 -2.765 8.508 -5.740 462 HG2 GLU 60 HG2 GLU 60 -2.928 6.320 -7.093 463 HG3 GLU 60 HG3 GLU 60 -4.255 7.091 -7.960 464 H LEU 61 H LEU 61 -2.155 7.367 -3.773 465 HA LEU 61 HA LEU 61 -1.089 4.801 -4.266 466 HB2 LEU 61 HB2 LEU 61 -0.496 6.831 -2.075 467 HB3 LEU 61 HB3 LEU 61 0.461 5.375 -2.308 468 HG LEU 61 HG LEU 61 0.130 7.533 -4.426 469 HD11 LEU 61 HD11 LEU 61 2.389 8.290 -3.857 470 HD12 LEU 61 HD12 LEU 61 2.439 7.159 -2.499 471 HD13 LEU 61 HD13 LEU 61 1.274 8.488 -2.506 472 HD21 LEU 61 HD21 LEU 61 2.036 5.180 -4.279 473 HD22 LEU 61 HD22 LEU 61 2.045 6.443 -5.515 474 HD23 LEU 61 HD23 LEU 61 0.662 5.361 -5.377 475 H GLU 62 H GLU 62 -3.090 6.079 -1.687 476 HA GLU 62 HA GLU 62 -3.157 3.900 0.081 477 HB2 GLU 62 HB2 GLU 62 -3.988 6.114 0.699 478 HB3 GLU 62 HB3 GLU 62 -5.242 6.026 -0.532 479 HG2 GLU 62 HG2 GLU 62 -6.350 4.216 0.686 480 HG3 GLU 62 HG3 GLU 62 -5.068 4.223 1.899 481 H ASN 63 H ASN 63 -5.245 4.778 -2.663 482 HA ASN 63 HA ASN 63 -6.975 2.516 -2.499 483 HB2 ASN 63 HB2 ASN 63 -6.473 4.578 -4.682 484 HB3 ASN 63 HB3 ASN 63 -7.629 3.268 -4.882 485 HD21 ASN 63 HD21 ASN 63 -7.153 4.999 -1.802 486 HD22 ASN 63 HD22 ASN 63 -8.686 5.781 -1.824 487 H GLN 64 H GLN 64 -3.895 3.131 -4.056 488 HA GLN 64 HA GLN 64 -4.030 0.984 -5.943 489 HB2 GLN 64 HB2 GLN 64 -1.738 2.745 -5.022 490 HB3 GLN 64 HB3 GLN 64 -1.490 1.421 -6.157 491 HG2 GLN 64 HG2 GLN 64 -3.078 2.474 -7.731 492 HG3 GLN 64 HG3 GLN 64 -3.305 3.812 -6.605 493 HE21 GLN 64 HE21 GLN 64 -1.572 5.272 -6.269 494 HE22 GLN 64 HE22 GLN 64 -0.292 5.432 -7.413 495 H PHE 65 H PHE 65 -2.418 1.330 -2.700 496 HA PHE 65 HA PHE 65 -1.162 -1.237 -2.949 497 HB2 PHE 65 HB2 PHE 65 -0.255 -0.997 -0.772 498 HB3 PHE 65 HB3 PHE 65 -0.247 0.612 -1.457 499 HD1 PHE 65 HD1 PHE 65 -1.299 2.421 -0.270 500 HD2 PHE 65 HD2 PHE 65 -2.025 -1.602 0.996 501 HE1 PHE 65 HE1 PHE 65 -2.366 3.245 1.790 502 HE2 PHE 65 HE2 PHE 65 -3.103 -0.760 3.030 503 HZ PHE 65 HZ PHE 65 -3.268 1.663 3.431 504 H ASN 66 H ASN 66 -4.178 -0.119 -1.430 505 HA ASN 66 HA ASN 66 -4.924 -2.591 -0.231 506 HB2 ASN 66 HB2 ASN 66 -6.523 -0.129 -1.021 507 HB3 ASN 66 HB3 ASN 66 -7.353 -1.576 -0.463 508 HD21 ASN 66 HD21 ASN 66 -5.657 1.232 0.509 509 HD22 ASN 66 HD22 ASN 66 -5.649 0.913 2.202 510 H GLU 67 H GLU 67 -5.388 -1.253 -3.470 511 HA GLU 67 HA GLU 67 -7.244 -3.215 -4.400 512 HB2 GLU 67 HB2 GLU 67 -6.775 -0.867 -5.407 513 HB3 GLU 67 HB3 GLU 67 -5.366 -1.591 -6.165 514 HG2 GLU 67 HG2 GLU 67 -7.040 -1.625 -7.827 515 HG3 GLU 67 HG3 GLU 67 -6.975 -3.283 -7.230 516 H THR 68 H THR 68 -3.748 -2.743 -4.778 517 HA THR 68 HA THR 68 -3.058 -4.983 -6.316 518 HB THR 68 HB THR 68 -1.423 -3.387 -4.282 519 HG1 THR 68 HG1 THR 68 -2.327 -2.353 -6.253 520 HG21 THR 68 HG21 THR 68 -0.364 -5.256 -6.443 521 HG22 THR 68 HG22 THR 68 -0.319 -5.583 -4.709 522 HG23 THR 68 HG23 THR 68 0.612 -4.240 -5.380 523 H ASN 69 H ASN 69 -3.365 -4.487 -2.840 524 HA ASN 69 HA ASN 69 -2.383 -6.983 -1.946 525 HB2 ASN 69 HB2 ASN 69 -2.503 -5.057 -0.443 526 HB3 ASN 69 HB3 ASN 69 -4.258 -4.989 -0.604 527 HD21 ASN 69 HD21 ASN 69 -1.718 -7.331 0.265 528 HD22 ASN 69 HD22 ASN 69 -2.570 -8.011 1.605 529 H ARG 70 H ARG 70 -5.687 -5.803 -2.656 530 HA ARG 70 HA ARG 70 -7.188 -8.062 -1.933 531 HB2 ARG 70 HB2 ARG 70 -8.253 -5.902 -2.513 532 HB3 ARG 70 HB3 ARG 70 -7.694 -6.052 -4.177 533 HG2 ARG 70 HG2 ARG 70 -9.122 -8.102 -4.427 534 HG3 ARG 70 HG3 ARG 70 -9.739 -7.831 -2.797 535 HD2 ARG 70 HD2 ARG 70 -10.035 -5.916 -5.136 536 HD3 ARG 70 HD3 ARG 70 -11.282 -7.015 -4.542 537 HE ARG 70 HE ARG 70 -10.149 -4.811 -2.912 538 HH11 ARG 70 HH11 ARG 70 -12.959 -6.647 -4.018 539 HH12 ARG 70 HH12 ARG 70 -14.077 -5.735 -3.052 540 HH21 ARG 70 HH21 ARG 70 -11.633 -3.597 -1.711 541 HH22 ARG 70 HH22 ARG 70 -13.321 -4.004 -1.746 542 H LEU 71 H LEU 71 -5.634 -7.171 -4.998 543 HA LEU 71 HA LEU 71 -6.354 -9.373 -6.582 544 HB2 LEU 71 HB2 LEU 71 -3.880 -7.600 -6.724 545 HB3 LEU 71 HB3 LEU 71 -4.343 -8.738 -7.983 546 HG LEU 71 HG LEU 71 -6.000 -6.336 -7.118 547 HD11 LEU 71 HD11 LEU 71 -4.299 -6.663 -9.604 548 HD12 LEU 71 HD12 LEU 71 -3.941 -5.622 -8.225 549 HD13 LEU 71 HD13 LEU 71 -5.351 -5.293 -9.227 550 HD21 LEU 71 HD21 LEU 71 -6.418 -8.279 -9.409 551 HD22 LEU 71 HD22 LEU 71 -7.362 -6.816 -9.110 552 HD23 LEU 71 HD23 LEU 71 -7.404 -8.139 -7.949 553 H LEU 72 H LEU 72 -3.703 -8.912 -4.285 554 HA LEU 72 HA LEU 72 -2.264 -11.302 -4.893 555 HB2 LEU 72 HB2 LEU 72 -2.290 -9.584 -2.394 556 HB3 LEU 72 HB3 LEU 72 -1.179 -10.926 -2.646 557 HG LEU 72 HG LEU 72 -1.289 -8.402 -4.326 558 HD11 LEU 72 HD11 LEU 72 0.794 -7.810 -3.225 559 HD12 LEU 72 HD12 LEU 72 0.724 -9.280 -2.245 560 HD13 LEU 72 HD13 LEU 72 -0.498 -8.021 -2.038 561 HD21 LEU 72 HD21 LEU 72 -0.566 -10.323 -5.656 562 HD22 LEU 72 HD22 LEU 72 0.647 -10.739 -4.440 563 HD23 LEU 72 HD23 LEU 72 0.782 -9.232 -5.350 564 H HIS 73 H HIS 73 -4.831 -10.541 -2.527 565 HA HIS 73 HA HIS 73 -4.679 -13.006 -1.083 566 HB2 HIS 73 HB2 HIS 73 -6.928 -10.956 -1.346 567 HB3 HIS 73 HB3 HIS 73 -7.064 -12.387 -0.325 568 HD1 HIS 73 HD1 HIS 73 -4.903 -12.562 1.466 569 HD2 HIS 73 HD2 HIS 73 -5.966 -8.816 0.039 570 HE1 HIS 73 HE1 HIS 73 -3.865 -10.898 3.034 571 HE2 HIS 73 HE2 HIS 73 -4.780 -8.682 2.310 572 H ILE 74 H ILE 74 -6.560 -11.908 -3.865 573 HA ILE 74 HA ILE 74 -8.094 -14.282 -4.242 574 HB ILE 74 HB ILE 74 -7.340 -12.134 -6.293 575 HG12 ILE 74 HG12 ILE 74 -9.856 -12.363 -4.565 576 HG13 ILE 74 HG13 ILE 74 -8.545 -11.222 -4.299 577 HG21 ILE 74 HG21 ILE 74 -9.592 -14.179 -6.397 578 HG22 ILE 74 HG22 ILE 74 -8.126 -14.211 -7.379 579 HG23 ILE 74 HG23 ILE 74 -9.295 -12.906 -7.587 580 HD11 ILE 74 HD11 ILE 74 -10.404 -11.275 -6.674 581 HD12 ILE 74 HD12 ILE 74 -9.048 -10.164 -6.461 582 HD13 ILE 74 HD13 ILE 74 -10.408 -10.122 -5.341 583 H LYS 75 H LYS 75 -5.082 -13.044 -5.710 584 HA LYS 75 HA LYS 75 -4.493 -15.063 -7.548 585 HB2 LYS 75 HB2 LYS 75 -3.283 -12.974 -7.640 586 HB3 LYS 75 HB3 LYS 75 -2.728 -13.144 -5.981 587 HG2 LYS 75 HG2 LYS 75 -1.289 -15.063 -6.695 588 HG3 LYS 75 HG3 LYS 75 -1.796 -14.784 -8.364 589 HD2 LYS 75 HD2 LYS 75 -0.761 -12.571 -8.358 590 HD3 LYS 75 HD3 LYS 75 -0.393 -12.701 -6.635 591 HE2 LYS 75 HE2 LYS 75 1.602 -13.095 -8.052 592 HE3 LYS 75 HE3 LYS 75 1.195 -14.511 -7.082 593 HZ1 LYS 75 HZ1 LYS 75 0.554 -14.122 -9.959 594 HZ2 LYS 75 HZ2 LYS 75 0.128 -15.474 -9.042 595 HZ3 LYS 75 HZ3 LYS 75 1.758 -15.133 -9.334 596 H GLN 76 H GLN 76 -3.530 -14.709 -4.161 597 HA GLN 76 HA GLN 76 -1.825 -16.963 -3.963 598 HB2 GLN 76 HB2 GLN 76 -1.716 -15.021 -2.409 599 HB3 GLN 76 HB3 GLN 76 -3.302 -15.435 -1.772 600 HG2 GLN 76 HG2 GLN 76 -2.393 -17.551 -0.889 601 HG3 GLN 76 HG3 GLN 76 -0.809 -17.149 -1.539 602 HE21 GLN 76 HE21 GLN 76 -0.936 -14.329 -0.765 603 HE22 GLN 76 HE22 GLN 76 -0.767 -14.299 0.951 604 H HIS 77 H HIS 77 -5.246 -16.389 -3.072 605 HA HIS 77 HA HIS 77 -5.712 -18.908 -1.880 606 HB2 HIS 77 HB2 HIS 77 -7.196 -16.974 -1.465 607 HB3 HIS 77 HB3 HIS 77 -7.719 -16.978 -3.148 608 HD1 HIS 77 HD1 HIS 77 -7.974 -19.078 0.009 609 HD2 HIS 77 HD2 HIS 77 -9.866 -18.664 -3.656 610 HE1 HIS 77 HE1 HIS 77 -9.994 -20.553 0.126 611 HE2 HIS 77 HE2 HIS 77 -11.085 -20.330 -2.131 612 H GLU 78 H GLU 78 -6.376 -17.715 -5.208 613 HA GLU 78 HA GLU 78 -7.833 -19.944 -6.107 614 HB2 GLU 78 HB2 GLU 78 -6.213 -17.970 -7.779 615 HB3 GLU 78 HB3 GLU 78 -7.388 -19.110 -8.426 616 HG2 GLU 78 HG2 GLU 78 -7.908 -16.682 -6.704 617 HG3 GLU 78 HG3 GLU 78 -8.419 -16.959 -8.362 618 H GLU 79 H GLU 79 -4.390 -19.120 -6.396 619 HA GLU 79 HA GLU 79 -3.605 -21.339 -7.964 620 HB2 GLU 79 HB2 GLU 79 -2.039 -19.461 -6.165 621 HB3 GLU 79 HB3 GLU 79 -1.261 -20.748 -7.083 622 HG2 GLU 79 HG2 GLU 79 -2.048 -19.752 -9.188 623 HG3 GLU 79 HG3 GLU 79 -2.886 -18.486 -8.288 624 H VAL 80 H VAL 80 -3.464 -20.771 -4.427 625 HA VAL 80 HA VAL 80 -2.271 -23.215 -3.702 626 HB VAL 80 HB VAL 80 -3.995 -21.256 -2.121 627 HG11 VAL 80 HG11 VAL 80 -2.598 -23.704 -0.970 628 HG12 VAL 80 HG12 VAL 80 -4.343 -23.447 -1.049 629 HG13 VAL 80 HG13 VAL 80 -3.346 -22.411 -0.027 630 HG21 VAL 80 HG21 VAL 80 -1.013 -21.884 -2.032 631 HG22 VAL 80 HG22 VAL 80 -1.834 -20.681 -1.032 632 HG23 VAL 80 HG23 VAL 80 -1.754 -20.467 -2.782 633 H GLU 81 H GLU 81 -5.648 -22.445 -4.431 634 HA GLU 81 HA GLU 81 -6.843 -24.813 -3.400 635 HB2 GLU 81 HB2 GLU 81 -7.776 -23.078 -5.730 636 HB3 GLU 81 HB3 GLU 81 -8.751 -24.300 -4.927 637 HG2 GLU 81 HG2 GLU 81 -7.832 -21.639 -3.843 638 HG3 GLU 81 HG3 GLU 81 -9.473 -22.184 -4.132 639 H LYS 82 H LYS 82 -5.739 -23.977 -6.726 640 HA LYS 82 HA LYS 82 -6.536 -26.573 -7.749 641 HB2 LYS 82 HB2 LYS 82 -5.623 -25.658 -9.984 642 HB3 LYS 82 HB3 LYS 82 -7.036 -24.890 -9.292 643 HG2 LYS 82 HG2 LYS 82 -5.769 -23.113 -10.113 644 HG3 LYS 82 HG3 LYS 82 -5.447 -23.101 -8.382 645 HD2 LYS 82 HD2 LYS 82 -3.385 -22.683 -9.572 646 HD3 LYS 82 HD3 LYS 82 -3.276 -24.277 -8.820 647 HE2 LYS 82 HE2 LYS 82 -3.837 -25.311 -11.018 648 HE3 LYS 82 HE3 LYS 82 -3.900 -23.699 -11.738 649 HZ1 LYS 82 HZ1 LYS 82 -1.776 -24.711 -12.152 650 HZ2 LYS 82 HZ2 LYS 82 -1.515 -24.969 -10.502 651 HZ3 LYS 82 HZ3 LYS 82 -1.572 -23.394 -11.112 652 H ASP 83 H ASP 83 -3.589 -25.187 -6.595 653 HA ASP 83 HA ASP 83 -1.782 -27.000 -7.932 654 HB2 ASP 83 HB2 ASP 83 -1.367 -25.089 -5.597 655 HB3 ASP 83 HB3 ASP 83 -0.079 -26.104 -6.237 656 H LYS 84 H LYS 84 -3.370 -26.882 -4.762 657 HA LYS 84 HA LYS 84 -2.128 -29.180 -3.635 658 HB2 LYS 84 HB2 LYS 84 -4.801 -27.849 -3.068 659 HB3 LYS 84 HB3 LYS 84 -4.239 -29.259 -2.173 660 HG2 LYS 84 HG2 LYS 84 -2.275 -27.973 -1.399 661 HG3 LYS 84 HG3 LYS 84 -2.883 -26.544 -2.250 662 HD2 LYS 84 HD2 LYS 84 -4.858 -26.460 -0.844 663 HD3 LYS 84 HD3 LYS 84 -4.486 -28.027 -0.123 664 HE2 LYS 84 HE2 LYS 84 -2.464 -27.028 0.918 665 HE3 LYS 84 HE3 LYS 84 -2.923 -25.457 0.249 666 HZ1 LYS 84 HZ1 LYS 84 -4.591 -27.065 2.111 667 HZ2 LYS 84 HZ2 LYS 84 -4.949 -25.521 1.526 668 HZ3 LYS 84 HZ3 LYS 84 -3.636 -25.747 2.556 669 H LYS 85 H LYS 85 -5.155 -28.724 -5.478 670 HA LYS 85 HA LYS 85 -6.100 -31.389 -5.337 671 HB2 LYS 85 HB2 LYS 85 -6.699 -29.218 -7.389 672 HB3 LYS 85 HB3 LYS 85 -7.585 -30.736 -7.254 673 HG2 LYS 85 HG2 LYS 85 -8.248 -30.089 -4.916 674 HG3 LYS 85 HG3 LYS 85 -7.463 -28.528 -5.166 675 HD2 LYS 85 HD2 LYS 85 -9.874 -28.304 -5.554 676 HD3 LYS 85 HD3 LYS 85 -9.007 -28.077 -7.076 677 HE2 LYS 85 HE2 LYS 85 -9.538 -30.414 -7.712 678 HE3 LYS 85 HE3 LYS 85 -10.404 -30.622 -6.188 679 HZ1 LYS 85 HZ1 LYS 85 -11.124 -28.697 -8.328 680 HZ2 LYS 85 HZ2 LYS 85 -11.946 -28.906 -6.871 681 HZ3 LYS 85 HZ3 LYS 85 -11.909 -30.155 -7.996 682 H ALA 86 H ALA 86 -3.929 -29.797 -7.576 683 HA ALA 86 HA ALA 86 -3.563 -32.069 -9.314 684 HB1 ALA 86 HB1 ALA 86 -3.181 -29.788 -10.161 685 HB2 ALA 86 HB2 ALA 86 -1.696 -30.736 -10.261 686 HB3 ALA 86 HB3 ALA 86 -1.897 -29.542 -8.974 687 H LYS 87 H LYS 87 -2.797 -33.850 -8.337 688 HA LYS 87 HA LYS 87 -1.467 -33.873 -5.846 689 HB2 LYS 87 HB2 LYS 87 -2.996 -35.656 -6.661 690 HB3 LYS 87 HB3 LYS 87 -1.796 -36.127 -7.859 691 HG2 LYS 87 HG2 LYS 87 -1.655 -37.680 -6.041 692 HG3 LYS 87 HG3 LYS 87 -0.211 -36.666 -5.973 693 HD2 LYS 87 HD2 LYS 87 -1.323 -35.291 -4.187 694 HD3 LYS 87 HD3 LYS 87 -2.704 -36.392 -4.237 695 HE2 LYS 87 HE2 LYS 87 0.141 -37.078 -3.418 696 HE3 LYS 87 HE3 LYS 87 -1.268 -36.977 -2.364 697 HZ1 LYS 87 HZ1 LYS 87 -2.232 -38.865 -3.517 698 HZ2 LYS 87 HZ2 LYS 87 -0.708 -39.265 -2.910 699 HZ3 LYS 87 HZ3 LYS 87 -0.905 -38.951 -4.556 700 H GLN 88 H GLN 88 -0.261 -34.480 -9.167 701 HA GLN 88 HA GLN 88 2.521 -34.569 -8.205 702 HB2 GLN 88 HB2 GLN 88 1.399 -34.914 -11.026 703 HB3 GLN 88 HB3 GLN 88 3.101 -35.035 -10.599 704 HG2 GLN 88 HG2 GLN 88 0.896 -36.860 -9.602 705 HG3 GLN 88 HG3 GLN 88 2.057 -37.251 -10.868 706 HE21 GLN 88 HE21 GLN 88 1.584 -36.858 -7.442 707 HE22 GLN 88 HE22 GLN 88 3.087 -37.542 -6.946 708 H GLN 89 H GLN 89 2.120 -32.343 -7.385 709 HA GLN 89 HA GLN 89 3.325 -30.388 -9.145 710 HB2 GLN 89 HB2 GLN 89 0.607 -30.371 -9.317 711 HB3 GLN 89 HB3 GLN 89 0.758 -29.407 -7.863 712 HG2 GLN 89 HG2 GLN 89 1.883 -28.769 -10.609 713 HG3 GLN 89 HG3 GLN 89 0.541 -27.972 -9.810 714 HE21 GLN 89 HE21 GLN 89 0.992 -26.533 -8.070 715 HE22 GLN 89 HE22 GLN 89 2.565 -25.844 -7.862 716 H LYS 90 H LYS 90 4.593 -29.007 -7.934 717 HA LYS 90 HA LYS 90 4.670 -29.286 -5.049 718 HB2 LYS 90 HB2 LYS 90 6.635 -27.753 -5.160 719 HB3 LYS 90 HB3 LYS 90 6.816 -29.156 -6.203 720 HG2 LYS 90 HG2 LYS 90 6.353 -27.803 -8.181 721 HG3 LYS 90 HG3 LYS 90 6.005 -26.393 -7.174 722 HD2 LYS 90 HD2 LYS 90 8.398 -26.499 -6.336 723 HD3 LYS 90 HD3 LYS 90 8.697 -27.779 -7.517 724 HE2 LYS 90 HE2 LYS 90 7.787 -24.958 -8.195 725 HE3 LYS 90 HE3 LYS 90 9.443 -25.553 -8.324 726 HZ1 LYS 90 HZ1 LYS 90 7.134 -26.675 -9.814 727 HZ2 LYS 90 HZ2 LYS 90 8.755 -27.110 -9.990 728 HZ3 LYS 90 HZ3 LYS 90 8.245 -25.565 -10.444 729 H THR 91 H THR 91 2.687 -28.447 -4.369 730 HA THR 91 HA THR 91 1.946 -25.683 -4.871 731 HB THR 91 HB THR 91 0.154 -27.288 -4.487 732 HG1 THR 91 HG1 THR 91 -0.177 -25.132 -3.782 733 HG21 THR 91 HG21 THR 91 -0.307 -28.332 -2.308 734 HG22 THR 91 HG22 THR 91 1.210 -27.701 -1.672 735 HG23 THR 91 HG23 THR 91 1.234 -28.898 -2.966 736 H LEU 92 H LEU 92 2.650 -23.953 -3.757 737 HA LEU 92 HA LEU 92 4.855 -24.188 -1.987 738 HB2 LEU 92 HB2 LEU 92 3.184 -21.785 -2.811 739 HB3 LEU 92 HB3 LEU 92 4.505 -21.649 -1.672 740 HG LEU 92 HG LEU 92 6.062 -22.546 -3.481 741 HD11 LEU 92 HD11 LEU 92 3.713 -22.073 -5.319 742 HD12 LEU 92 HD12 LEU 92 4.438 -23.633 -4.921 743 HD13 LEU 92 HD13 LEU 92 5.373 -22.434 -5.812 744 HD21 LEU 92 HD21 LEU 92 4.673 -19.916 -4.073 745 HD22 LEU 92 HD22 LEU 92 6.274 -20.397 -4.646 746 HD23 LEU 92 HD23 LEU 92 5.988 -20.168 -2.921 747 H LYS 93 H LYS 93 5.047 -23.775 0.198 748 HA LYS 93 HA LYS 93 3.007 -24.545 1.961 749 HB2 LYS 93 HB2 LYS 93 5.488 -22.858 2.557 750 HB3 LYS 93 HB3 LYS 93 4.504 -23.650 3.775 751 HG2 LYS 93 HG2 LYS 93 5.822 -25.316 1.627 752 HG3 LYS 93 HG3 LYS 93 6.786 -24.705 2.966 753 HD2 LYS 93 HD2 LYS 93 6.123 -26.941 3.520 754 HD3 LYS 93 HD3 LYS 93 5.199 -25.859 4.559 755 HE2 LYS 93 HE2 LYS 93 3.210 -26.190 3.175 756 HE3 LYS 93 HE3 LYS 93 4.144 -27.140 2.017 757 HZ1 LYS 93 HZ1 LYS 93 4.533 -28.792 3.735 758 HZ2 LYS 93 HZ2 LYS 93 2.879 -28.570 3.489 759 HZ3 LYS 93 HZ3 LYS 93 3.629 -27.898 4.847 760 H GLN 94 H GLN 94 1.172 -23.469 2.380 761 HA GLN 94 HA GLN 94 0.676 -20.744 1.775 762 HB2 GLN 94 HB2 GLN 94 -1.102 -22.434 1.747 763 HB3 GLN 94 HB3 GLN 94 -0.901 -22.728 3.467 764 HG2 GLN 94 HG2 GLN 94 -2.858 -21.433 3.262 765 HG3 GLN 94 HG3 GLN 94 -1.636 -20.329 3.863 766 HE21 GLN 94 HE21 GLN 94 -0.475 -19.890 1.086 767 HE22 GLN 94 HE22 GLN 94 -1.637 -18.902 0.313 768 H SER 95 H SER 95 1.747 -22.424 4.627 769 HA SER 95 HA SER 95 2.369 -21.892 6.709 770 HB2 SER 95 HB2 SER 95 3.846 -19.902 6.933 771 HB3 SER 95 HB3 SER 95 4.209 -20.820 5.476 772 HG SER 95 HG SER 95 2.384 -18.759 5.185 773 H ASP 96 H ASP 96 -0.298 -21.507 6.248 774 HA ASP 96 HA ASP 96 -1.345 -19.080 7.309 775 HB2 ASP 96 HB2 ASP 96 -3.513 -20.347 7.375 776 HB3 ASP 96 HB3 ASP 96 -2.723 -20.362 5.808 777 H THR 97 H THR 97 -0.102 -18.807 9.171 778 HA THR 97 HA THR 97 -0.964 -20.331 11.553 779 HB THR 97 HB THR 97 1.381 -20.886 10.997 780 HG1 THR 97 HG1 THR 97 1.128 -20.996 13.127 781 HG21 THR 97 HG21 THR 97 1.994 -17.930 11.397 782 HG22 THR 97 HG22 THR 97 2.084 -18.803 9.863 783 HG23 THR 97 HG23 THR 97 3.185 -19.212 11.181 784 H LYS 98 H LYS 98 -1.410 -19.149 13.377 785 HA LYS 98 HA LYS 98 -1.108 -16.269 13.522 786 HB2 LYS 98 HB2 LYS 98 -3.479 -15.701 13.602 787 HB3 LYS 98 HB3 LYS 98 -3.166 -16.523 12.076 788 HG2 LYS 98 HG2 LYS 98 -4.157 -18.588 12.931 789 HG3 LYS 98 HG3 LYS 98 -4.352 -17.867 14.533 790 HD2 LYS 98 HD2 LYS 98 -5.929 -16.188 13.548 791 HD3 LYS 98 HD3 LYS 98 -5.782 -16.997 11.984 792 HE2 LYS 98 HE2 LYS 98 -7.831 -17.705 13.125 793 HE3 LYS 98 HE3 LYS 98 -6.719 -19.065 12.986 794 HZ1 LYS 98 HZ1 LYS 98 -7.725 -18.973 15.166 795 HZ2 LYS 98 HZ2 LYS 98 -7.145 -17.409 15.412 796 HZ3 LYS 98 HZ3 LYS 98 -6.064 -18.694 15.294 797 H VAL 99 H VAL 99 -2.665 -15.578 15.568 798 HA VAL 99 HA VAL 99 -1.987 -17.257 17.814 799 HB VAL 99 HB VAL 99 -3.301 -15.547 19.172 800 HG11 VAL 99 HG11 VAL 99 -1.023 -14.470 17.466 801 HG12 VAL 99 HG12 VAL 99 -0.856 -15.416 18.946 802 HG13 VAL 99 HG13 VAL 99 -1.560 -13.800 19.011 803 HG21 VAL 99 HG21 VAL 99 -3.903 -13.389 18.112 804 HG22 VAL 99 HG22 VAL 99 -4.833 -14.718 17.416 805 HG23 VAL 99 HG23 VAL 99 -3.469 -14.041 16.526 Start of MODEL 18 1 H2 GLY 1 H2 GLY 1 -4.693 13.807 21.988 2 H GLY 1 H1 GLY 1 -3.126 14.315 21.617 3 H3 GLY 1 H3 GLY 1 -4.292 15.441 22.101 4 HA2 GLY 1 HA2 GLY 1 -3.928 15.538 19.709 5 HA3 GLY 1 HA3 GLY 1 -4.360 13.838 19.607 6 H VAL 2 H VAL 2 -5.650 16.871 20.985 7 HA VAL 2 HA VAL 2 -8.423 16.077 20.368 8 HB VAL 2 HB VAL 2 -9.122 17.997 21.732 9 HG11 VAL 2 HG11 VAL 2 -6.964 16.382 23.142 10 HG12 VAL 2 HG12 VAL 2 -8.645 15.895 22.902 11 HG13 VAL 2 HG13 VAL 2 -8.269 17.276 23.933 12 HG21 VAL 2 HG21 VAL 2 -7.362 19.622 21.176 13 HG22 VAL 2 HG22 VAL 2 -6.162 18.668 22.049 14 HG23 VAL 2 HG23 VAL 2 -7.484 19.446 22.928 15 H GLU 3 H GLU 3 -6.067 17.296 18.591 16 HA GLU 3 HA GLU 3 -7.174 19.720 17.503 17 HB2 GLU 3 HB2 GLU 3 -4.929 17.978 16.372 18 HB3 GLU 3 HB3 GLU 3 -5.307 19.626 15.893 19 HG2 GLU 3 HG2 GLU 3 -3.408 19.832 17.272 20 HG3 GLU 3 HG3 GLU 3 -4.755 20.305 18.303 21 H LYS 4 H LYS 4 -9.251 19.021 16.904 22 HA LYS 4 HA LYS 4 -9.527 17.009 14.756 23 HB2 LYS 4 HB2 LYS 4 -10.738 16.745 16.993 24 HB3 LYS 4 HB3 LYS 4 -11.696 18.157 16.566 25 HG2 LYS 4 HG2 LYS 4 -12.640 16.980 14.637 26 HG3 LYS 4 HG3 LYS 4 -11.599 15.586 14.938 27 HD2 LYS 4 HD2 LYS 4 -13.840 16.592 16.742 28 HD3 LYS 4 HD3 LYS 4 -13.880 15.152 15.724 29 HE2 LYS 4 HE2 LYS 4 -12.078 15.587 18.136 30 HE3 LYS 4 HE3 LYS 4 -13.490 14.535 18.054 31 HZ1 LYS 4 HZ1 LYS 4 -12.351 13.210 16.380 32 HZ2 LYS 4 HZ2 LYS 4 -11.471 13.271 17.821 33 HZ3 LYS 4 HZ3 LYS 4 -10.988 14.202 16.495 34 H THR 5 H THR 5 -10.800 17.509 12.929 35 HA THR 5 HA THR 5 -11.632 20.324 12.509 36 HB THR 5 HB THR 5 -9.483 20.047 11.364 37 HG1 THR 5 HG1 THR 5 -11.051 19.909 9.123 38 HG21 THR 5 HG21 THR 5 -9.436 17.593 11.055 39 HG22 THR 5 HG22 THR 5 -9.151 18.428 9.528 40 HG23 THR 5 HG23 THR 5 -10.730 17.714 9.857 41 H ALA 6 H ALA 6 -13.102 20.438 10.506 42 HA ALA 6 HA ALA 6 -14.622 18.091 9.804 43 HB1 ALA 6 HB1 ALA 6 -15.980 20.226 11.506 44 HB2 ALA 6 HB2 ALA 6 -15.613 18.580 12.020 45 HB3 ALA 6 HB3 ALA 6 -16.789 18.860 10.734 46 H GLY 7 H GLY 7 -14.031 18.709 7.719 47 HA2 GLY 7 HA2 GLY 7 -14.496 19.561 5.644 48 HA3 GLY 7 HA3 GLY 7 -15.827 20.470 6.344 49 H GLU 8 H GLU 8 -15.383 22.489 7.323 50 HA GLU 8 HA GLU 8 -13.828 24.273 5.842 51 HB2 GLU 8 HB2 GLU 8 -15.843 24.918 7.099 52 HB3 GLU 8 HB3 GLU 8 -15.060 24.526 8.623 53 HG2 GLU 8 HG2 GLU 8 -15.157 26.937 8.309 54 HG3 GLU 8 HG3 GLU 8 -13.484 26.382 8.311 55 H THR 9 H THR 9 -11.692 24.655 5.886 56 HA THR 9 HA THR 9 -10.082 24.314 8.344 57 HB THR 9 HB THR 9 -8.210 23.378 6.860 58 HG1 THR 9 HG1 THR 9 -10.362 22.947 5.028 59 HG21 THR 9 HG21 THR 9 -10.685 21.624 7.065 60 HG22 THR 9 HG22 THR 9 -9.477 21.845 8.333 61 HG23 THR 9 HG23 THR 9 -9.034 21.053 6.818 62 H SER 10 H SER 10 -8.621 25.913 8.663 63 HA SER 10 HA SER 10 -8.508 28.204 6.863 64 HB2 SER 10 HB2 SER 10 -8.795 28.558 9.311 65 HB3 SER 10 HB3 SER 10 -7.259 27.749 9.619 66 HG SER 10 HG SER 10 -7.717 30.204 8.293 67 H ALA 11 H ALA 11 -7.346 27.342 5.111 68 HA ALA 11 HA ALA 11 -5.009 25.763 5.224 69 HB1 ALA 11 HB1 ALA 11 -5.999 27.531 2.956 70 HB2 ALA 11 HB2 ALA 11 -6.492 25.864 3.259 71 HB3 ALA 11 HB3 ALA 11 -4.824 26.220 2.810 72 H THR 12 H THR 12 -2.917 26.296 5.662 73 HA THR 12 HA THR 12 -1.928 29.050 5.244 74 HB THR 12 HB THR 12 -1.481 27.505 7.841 75 HG1 THR 12 HG1 THR 12 -3.366 29.486 7.120 76 HG21 THR 12 HG21 THR 12 -0.580 29.634 8.712 77 HG22 THR 12 HG22 THR 12 -0.810 30.394 7.138 78 HG23 THR 12 HG23 THR 12 0.360 29.083 7.322 79 H ASP 13 H ASP 13 -1.036 27.878 3.400 80 HA ASP 13 HA ASP 13 0.549 26.819 2.177 81 HB2 ASP 13 HB2 ASP 13 2.292 28.254 4.216 82 HB3 ASP 13 HB3 ASP 13 2.878 27.627 2.681 83 H THR 14 H THR 14 -0.361 24.756 3.276 84 HA THR 14 HA THR 14 0.058 22.560 3.543 85 HB THR 14 HB THR 14 2.976 23.406 3.249 86 HG1 THR 14 HG1 THR 14 2.239 23.711 1.284 87 HG21 THR 14 HG21 THR 14 1.836 20.607 2.937 88 HG22 THR 14 HG22 THR 14 2.910 21.129 4.234 89 HG23 THR 14 HG23 THR 14 3.488 21.097 2.567 90 H GLY 15 H GLY 15 0.762 24.774 5.927 91 HA2 GLY 15 HA2 GLY 15 2.502 23.533 7.727 92 HA3 GLY 15 HA3 GLY 15 1.318 24.752 8.154 93 H LYS 16 H LYS 16 -1.040 23.823 8.401 94 HA LYS 16 HA LYS 16 -0.960 21.716 10.343 95 HB2 LYS 16 HB2 LYS 16 -3.440 21.864 10.448 96 HB3 LYS 16 HB3 LYS 16 -2.654 23.414 10.676 97 HG2 LYS 16 HG2 LYS 16 -3.603 22.749 7.899 98 HG3 LYS 16 HG3 LYS 16 -4.832 23.104 9.117 99 HD2 LYS 16 HD2 LYS 16 -2.498 24.925 8.408 100 HD3 LYS 16 HD3 LYS 16 -4.154 25.119 7.819 101 HE2 LYS 16 HE2 LYS 16 -4.963 25.517 10.091 102 HE3 LYS 16 HE3 LYS 16 -3.366 25.171 10.762 103 HZ1 LYS 16 HZ1 LYS 16 -3.783 27.541 10.617 104 HZ2 LYS 16 HZ2 LYS 16 -4.020 27.430 8.947 105 HZ3 LYS 16 HZ3 LYS 16 -2.500 27.100 9.611 106 H ARG 17 H ARG 17 -1.763 21.871 6.928 107 HA ARG 17 HA ARG 17 -3.312 19.530 6.705 108 HB2 ARG 17 HB2 ARG 17 -3.215 21.317 4.944 109 HB3 ARG 17 HB3 ARG 17 -1.575 20.814 4.543 110 HG2 ARG 17 HG2 ARG 17 -2.433 18.578 3.842 111 HG3 ARG 17 HG3 ARG 17 -4.074 19.086 4.258 112 HD2 ARG 17 HD2 ARG 17 -3.946 20.864 2.553 113 HD3 ARG 17 HD3 ARG 17 -2.317 20.349 2.131 114 HE ARG 17 HE ARG 17 -4.724 18.663 1.751 115 HH11 ARG 17 HH11 ARG 17 -1.603 19.762 0.497 116 HH12 ARG 17 HH12 ARG 17 -1.742 18.821 -0.960 117 HH21 ARG 17 HH21 ARG 17 -4.916 17.548 -0.201 118 HH22 ARG 17 HH22 ARG 17 -3.615 17.574 -1.359 119 H GLU 18 H GLU 18 0.173 20.114 6.375 120 HA GLU 18 HA GLU 18 0.970 17.552 5.508 121 HB2 GLU 18 HB2 GLU 18 2.378 19.601 5.285 122 HB3 GLU 18 HB3 GLU 18 2.598 19.636 7.029 123 HG2 GLU 18 HG2 GLU 18 3.753 17.449 6.918 124 HG3 GLU 18 HG3 GLU 18 3.549 17.438 5.167 125 H LYS 19 H LYS 19 0.865 19.056 8.754 126 HA LYS 19 HA LYS 19 2.037 16.957 10.225 127 HB2 LYS 19 HB2 LYS 19 0.029 19.063 11.122 128 HB3 LYS 19 HB3 LYS 19 0.950 18.034 12.218 129 HG2 LYS 19 HG2 LYS 19 3.052 19.056 11.414 130 HG3 LYS 19 HG3 LYS 19 2.127 20.086 10.312 131 HD2 LYS 19 HD2 LYS 19 0.966 21.106 12.260 132 HD3 LYS 19 HD3 LYS 19 1.912 20.093 13.355 133 HE2 LYS 19 HE2 LYS 19 2.832 22.363 13.239 134 HE3 LYS 19 HE3 LYS 19 3.981 21.198 12.576 135 HZ1 LYS 19 HZ1 LYS 19 3.877 23.108 11.163 136 HZ2 LYS 19 HZ2 LYS 19 2.197 22.998 11.033 137 HZ3 LYS 19 HZ3 LYS 19 3.172 21.807 10.343 138 H GLN 20 H GLN 20 -1.385 17.723 9.606 139 HA GLN 20 HA GLN 20 -2.601 15.533 10.923 140 HB2 GLN 20 HB2 GLN 20 -3.519 17.300 8.603 141 HB3 GLN 20 HB3 GLN 20 -4.558 16.066 9.319 142 HG2 GLN 20 HG2 GLN 20 -3.359 18.368 10.898 143 HG3 GLN 20 HG3 GLN 20 -4.949 18.426 10.143 144 HE21 GLN 20 HE21 GLN 20 -6.029 18.706 12.120 145 HE22 GLN 20 HE22 GLN 20 -6.179 17.452 13.297 146 H LEU 21 H LEU 21 -1.318 15.968 7.710 147 HA LEU 21 HA LEU 21 -2.302 13.554 6.556 148 HB2 LEU 21 HB2 LEU 21 -2.008 15.381 5.122 149 HB3 LEU 21 HB3 LEU 21 -0.421 15.756 5.734 150 HG LEU 21 HG LEU 21 -0.686 13.175 4.214 151 HD11 LEU 21 HD11 LEU 21 -0.461 14.298 2.059 152 HD12 LEU 21 HD12 LEU 21 -0.680 15.872 2.831 153 HD13 LEU 21 HD13 LEU 21 -2.003 14.701 2.815 154 HD21 LEU 21 HD21 LEU 21 1.417 15.370 4.216 155 HD22 LEU 21 HD22 LEU 21 1.540 13.809 3.398 156 HD23 LEU 21 HD23 LEU 21 1.488 13.875 5.157 157 H GLN 22 H GLN 22 0.705 14.426 8.248 158 HA GLN 22 HA GLN 22 2.332 12.261 7.469 159 HB2 GLN 22 HB2 GLN 22 2.312 13.703 10.164 160 HB3 GLN 22 HB3 GLN 22 3.564 12.583 9.642 161 HG2 GLN 22 HG2 GLN 22 2.971 15.352 8.598 162 HG3 GLN 22 HG3 GLN 22 4.443 14.764 9.357 163 HE21 GLN 22 HE21 GLN 22 2.710 15.128 6.432 164 HE22 GLN 22 HE22 GLN 22 3.900 14.467 5.368 165 H GLN 23 H GLN 23 -0.010 12.652 10.074 166 HA GLN 23 HA GLN 23 0.240 10.279 11.509 167 HB2 GLN 23 HB2 GLN 23 -2.328 11.832 10.933 168 HB3 GLN 23 HB3 GLN 23 -2.065 10.740 12.293 169 HG2 GLN 23 HG2 GLN 23 -0.448 12.252 13.272 170 HG3 GLN 23 HG3 GLN 23 -0.480 13.287 11.843 171 HE21 GLN 23 HE21 GLN 23 -1.125 15.132 12.956 172 HE22 GLN 23 HE22 GLN 23 -2.689 15.308 13.671 173 H TRP 24 H TRP 24 -1.710 11.009 8.674 174 HA TRP 24 HA TRP 24 -2.950 8.496 8.286 175 HB2 TRP 24 HB2 TRP 24 -3.894 10.496 7.296 176 HB3 TRP 24 HB3 TRP 24 -2.398 10.871 6.456 177 HD1 TRP 24 HD1 TRP 24 -3.812 7.306 6.185 178 HE1 TRP 24 HE1 TRP 24 -4.625 6.936 3.779 179 HE3 TRP 24 HE3 TRP 24 -3.420 12.087 4.445 180 HZ2 TRP 24 HZ2 TRP 24 -5.093 8.458 1.453 181 HZ3 TRP 24 HZ3 TRP 24 -4.103 12.556 2.136 182 HH2 TRP 24 HH2 TRP 24 -4.922 10.784 0.664 183 H LYS 25 H LYS 25 0.035 9.954 6.919 184 HA LYS 25 HA LYS 25 0.616 7.885 5.077 185 HB2 LYS 25 HB2 LYS 25 2.531 9.874 6.363 186 HB3 LYS 25 HB3 LYS 25 2.896 8.860 4.963 187 HG2 LYS 25 HG2 LYS 25 0.793 10.032 3.905 188 HG3 LYS 25 HG3 LYS 25 1.068 11.249 5.155 189 HD2 LYS 25 HD2 LYS 25 3.043 10.356 3.031 190 HD3 LYS 25 HD3 LYS 25 2.164 11.884 3.059 191 HE2 LYS 25 HE2 LYS 25 3.400 12.619 5.007 192 HE3 LYS 25 HE3 LYS 25 4.164 11.046 5.162 193 HZ1 LYS 25 HZ1 LYS 25 4.523 12.954 2.925 194 HZ2 LYS 25 HZ2 LYS 25 5.169 11.397 2.963 195 HZ3 LYS 25 HZ3 LYS 25 5.677 12.544 4.094 196 H ASN 26 H ASN 26 1.436 8.331 8.460 197 HA ASN 26 HA ASN 26 3.507 6.460 8.748 198 HB2 ASN 26 HB2 ASN 26 1.423 7.305 10.809 199 HB3 ASN 26 HB3 ASN 26 2.926 6.465 11.180 200 HD21 ASN 26 HD21 ASN 26 2.058 8.949 12.234 201 HD22 ASN 26 HD22 ASN 26 3.195 10.158 11.753 202 H ASN 27 H ASN 27 -0.028 6.161 8.835 203 HA ASN 27 HA ASN 27 -0.209 3.458 9.690 204 HB2 ASN 27 HB2 ASN 27 -2.169 4.992 7.917 205 HB3 ASN 27 HB3 ASN 27 -2.534 3.563 8.880 206 HD21 ASN 27 HD21 ASN 27 -1.107 4.489 11.270 207 HD22 ASN 27 HD22 ASN 27 -2.046 5.784 11.910 208 H LEU 28 H LEU 28 -0.254 5.038 6.520 209 HA LEU 28 HA LEU 28 -0.700 2.828 4.890 210 HB2 LEU 28 HB2 LEU 28 0.329 5.611 4.473 211 HB3 LEU 28 HB3 LEU 28 0.655 4.475 3.183 212 HG LEU 28 HG LEU 28 -1.419 5.857 2.831 213 HD11 LEU 28 HD11 LEU 28 -1.918 2.862 2.996 214 HD12 LEU 28 HD12 LEU 28 -1.151 3.714 1.651 215 HD13 LEU 28 HD13 LEU 28 -2.839 4.030 2.039 216 HD21 LEU 28 HD21 LEU 28 -3.448 5.364 4.083 217 HD22 LEU 28 HD22 LEU 28 -2.188 5.968 5.155 218 HD23 LEU 28 HD23 LEU 28 -2.567 4.244 5.128 219 H LYS 29 H LYS 29 2.417 4.311 5.817 220 HA LYS 29 HA LYS 29 4.165 2.722 4.319 221 HB2 LYS 29 HB2 LYS 29 4.539 4.105 6.995 222 HB3 LYS 29 HB3 LYS 29 5.867 3.366 6.103 223 HG2 LYS 29 HG2 LYS 29 5.805 4.971 4.391 224 HG3 LYS 29 HG3 LYS 29 4.155 5.475 4.770 225 HD2 LYS 29 HD2 LYS 29 5.950 7.130 5.425 226 HD3 LYS 29 HD3 LYS 29 4.863 6.648 6.728 227 HE2 LYS 29 HE2 LYS 29 7.179 6.738 7.522 228 HE3 LYS 29 HE3 LYS 29 6.587 5.083 7.582 229 HZ1 LYS 29 HZ1 LYS 29 8.336 6.246 5.492 230 HZ2 LYS 29 HZ2 LYS 29 7.766 4.658 5.501 231 HZ3 LYS 29 HZ3 LYS 29 8.823 5.184 6.714 232 H ASN 30 H ASN 30 2.902 2.265 7.617 233 HA ASN 30 HA ASN 30 4.354 -0.072 8.290 234 HB2 ASN 30 HB2 ASN 30 1.653 0.872 9.358 235 HB3 ASN 30 HB3 ASN 30 2.654 -0.372 10.104 236 HD21 ASN 30 HD21 ASN 30 1.720 2.158 11.225 237 HD22 ASN 30 HD22 ASN 30 3.134 3.036 11.684 238 H ASP 31 H ASP 31 1.085 0.427 7.006 239 HA ASP 31 HA ASP 31 0.262 -2.238 6.791 240 HB2 ASP 31 HB2 ASP 31 -0.608 0.316 5.396 241 HB3 ASP 31 HB3 ASP 31 -1.292 -1.229 4.900 242 H VAL 32 H VAL 32 2.013 -0.185 4.456 243 HA VAL 32 HA VAL 32 1.981 -1.880 2.221 244 HB VAL 32 HB VAL 32 3.947 0.298 3.060 245 HG11 VAL 32 HG11 VAL 32 5.221 -1.258 1.636 246 HG12 VAL 32 HG12 VAL 32 4.906 0.248 0.773 247 HG13 VAL 32 HG13 VAL 32 3.954 -1.192 0.408 248 HG21 VAL 32 HG21 VAL 32 1.839 0.233 0.864 249 HG22 VAL 32 HG22 VAL 32 2.855 1.617 1.283 250 HG23 VAL 32 HG23 VAL 32 1.654 1.021 2.431 251 H ASP 33 H ASP 33 4.097 -1.767 5.026 252 HA ASP 33 HA ASP 33 5.950 -3.777 4.110 253 HB2 ASP 33 HB2 ASP 33 6.573 -1.933 5.696 254 HB3 ASP 33 HB3 ASP 33 5.543 -2.666 6.922 255 H ASN 34 H ASN 34 3.044 -3.720 6.117 256 HA ASN 34 HA ASN 34 3.404 -6.390 7.213 257 HB2 ASN 34 HB2 ASN 34 1.073 -4.428 7.415 258 HB3 ASN 34 HB3 ASN 34 1.159 -5.958 8.288 259 HD21 ASN 34 HD21 ASN 34 0.976 -3.244 9.324 260 HD22 ASN 34 HD22 ASN 34 2.340 -3.021 10.356 261 H THR 35 H THR 35 1.836 -5.001 4.449 262 HA THR 35 HA THR 35 -0.030 -7.145 3.962 263 HB THR 35 HB THR 35 -0.220 -6.077 1.644 264 HG1 THR 35 HG1 THR 35 1.205 -3.901 2.745 265 HG21 THR 35 HG21 THR 35 -0.749 -4.250 4.014 266 HG22 THR 35 HG22 THR 35 -1.828 -5.520 3.430 267 HG23 THR 35 HG23 THR 35 -1.487 -4.117 2.416 268 H ILE 36 H ILE 36 0.116 -8.235 1.712 269 HA ILE 36 HA ILE 36 2.602 -9.782 1.808 270 HB ILE 36 HB ILE 36 1.405 -11.479 0.526 271 HG12 ILE 36 HG12 ILE 36 -1.005 -9.595 0.374 272 HG13 ILE 36 HG13 ILE 36 0.107 -9.865 -0.965 273 HG21 ILE 36 HG21 ILE 36 0.993 -11.409 2.968 274 HG22 ILE 36 HG22 ILE 36 -0.427 -12.007 2.109 275 HG23 ILE 36 HG23 ILE 36 -0.399 -10.347 2.711 276 HD11 ILE 36 HD11 ILE 36 -1.609 -11.976 0.336 277 HD12 ILE 36 HD12 ILE 36 -0.503 -12.220 -1.020 278 HD13 ILE 36 HD13 ILE 36 -1.911 -11.179 -1.205 279 H LEU 37 H LEU 37 2.471 -7.043 0.482 280 HA LEU 37 HA LEU 37 2.531 -7.251 -2.328 281 HB2 LEU 37 HB2 LEU 37 4.168 -5.281 -0.706 282 HB3 LEU 37 HB3 LEU 37 3.654 -5.108 -2.372 283 HG LEU 37 HG LEU 37 1.948 -4.884 0.125 284 HD11 LEU 37 HD11 LEU 37 1.598 -2.580 -0.636 285 HD12 LEU 37 HD12 LEU 37 2.650 -2.859 -2.023 286 HD13 LEU 37 HD13 LEU 37 3.306 -2.917 -0.384 287 HD21 LEU 37 HD21 LEU 37 1.004 -4.831 -2.754 288 HD22 LEU 37 HD22 LEU 37 0.032 -4.393 -1.344 289 HD23 LEU 37 HD23 LEU 37 0.609 -6.046 -1.533 290 H SER 38 H SER 38 4.282 -7.372 -3.791 291 HA SER 38 HA SER 38 6.601 -8.881 -3.087 292 HB2 SER 38 HB2 SER 38 6.066 -7.172 -5.556 293 HB3 SER 38 HB3 SER 38 7.290 -8.439 -5.411 294 HG SER 38 HG SER 38 5.119 -9.648 -4.738 295 H HIS 39 H HIS 39 8.873 -8.076 -3.349 296 HA HIS 39 HA HIS 39 9.463 -6.087 -1.484 297 HB2 HIS 39 HB2 HIS 39 11.063 -7.868 -2.042 298 HB3 HIS 39 HB3 HIS 39 11.244 -7.246 -3.677 299 HD1 HIS 39 HD1 HIS 39 12.307 -6.628 -0.137 300 HD2 HIS 39 HD2 HIS 39 12.986 -5.012 -3.904 301 HE1 HIS 39 HE1 HIS 39 14.280 -5.097 0.126 302 HE2 HIS 39 HE2 HIS 39 14.539 -3.998 -2.121 303 H GLU 40 H GLU 40 9.401 -5.928 -5.022 304 HA GLU 40 HA GLU 40 10.379 -3.335 -5.420 305 HB2 GLU 40 HB2 GLU 40 8.377 -4.935 -7.087 306 HB3 GLU 40 HB3 GLU 40 9.193 -3.470 -7.637 307 HG2 GLU 40 HG2 GLU 40 11.376 -4.596 -7.437 308 HG3 GLU 40 HG3 GLU 40 10.579 -6.059 -6.863 309 H GLN 41 H GLN 41 6.977 -4.449 -5.089 310 HA GLN 41 HA GLN 41 5.763 -1.910 -5.320 311 HB2 GLN 41 HB2 GLN 41 4.764 -4.464 -3.996 312 HB3 GLN 41 HB3 GLN 41 3.764 -3.031 -4.223 313 HG2 GLN 41 HG2 GLN 41 5.009 -4.703 -6.426 314 HG3 GLN 41 HG3 GLN 41 3.315 -4.711 -5.942 315 HE21 GLN 41 HE21 GLN 41 2.018 -2.879 -6.445 316 HE22 GLN 41 HE22 GLN 41 2.480 -1.754 -7.667 317 H LYS 42 H LYS 42 6.924 -3.717 -2.474 318 HA LYS 42 HA LYS 42 5.900 -1.976 -0.501 319 HB2 LYS 42 HB2 LYS 42 8.266 -3.892 -0.397 320 HB3 LYS 42 HB3 LYS 42 7.700 -2.974 1.002 321 HG2 LYS 42 HG2 LYS 42 5.426 -4.028 0.639 322 HG3 LYS 42 HG3 LYS 42 6.192 -5.097 -0.541 323 HD2 LYS 42 HD2 LYS 42 7.616 -6.069 1.190 324 HD3 LYS 42 HD3 LYS 42 7.056 -4.884 2.377 325 HE2 LYS 42 HE2 LYS 42 4.772 -5.815 2.212 326 HE3 LYS 42 HE3 LYS 42 5.340 -7.010 1.052 327 HZ1 LYS 42 HZ1 LYS 42 6.730 -7.970 2.750 328 HZ2 LYS 42 HZ2 LYS 42 5.136 -7.880 3.305 329 HZ3 LYS 42 HZ3 LYS 42 6.282 -6.772 3.854 330 H ASN 43 H ASN 43 9.053 -2.131 -2.114 331 HA ASN 43 HA ASN 43 10.281 -0.037 -0.681 332 HB2 ASN 43 HB2 ASN 43 10.879 -1.338 -3.371 333 HB3 ASN 43 HB3 ASN 43 11.850 0.000 -2.785 334 HD21 ASN 43 HD21 ASN 43 10.504 -2.593 -0.750 335 HD22 ASN 43 HD22 ASN 43 12.032 -3.268 -0.332 336 H GLU 44 H GLU 44 8.413 -0.120 -3.675 337 HA GLU 44 HA GLU 44 8.859 2.548 -4.518 338 HB2 GLU 44 HB2 GLU 44 6.828 0.414 -5.232 339 HB3 GLU 44 HB3 GLU 44 6.674 2.038 -5.896 340 HG2 GLU 44 HG2 GLU 44 8.868 1.865 -6.937 341 HG3 GLU 44 HG3 GLU 44 9.115 0.274 -6.214 342 H PHE 45 H PHE 45 6.013 1.037 -2.912 343 HA PHE 45 HA PHE 45 4.465 3.373 -2.893 344 HB2 PHE 45 HB2 PHE 45 4.221 0.776 -1.349 345 HB3 PHE 45 HB3 PHE 45 3.125 2.114 -1.023 346 HD1 PHE 45 HD1 PHE 45 2.263 3.231 -3.439 347 HD2 PHE 45 HD2 PHE 45 3.240 -0.882 -2.727 348 HE1 PHE 45 HE1 PHE 45 0.818 2.550 -5.310 349 HE2 PHE 45 HE2 PHE 45 1.801 -1.543 -4.607 350 HZ PHE 45 HZ PHE 45 0.589 0.170 -5.898 351 H LYS 46 H LYS 46 6.616 2.031 -0.355 352 HA LYS 46 HA LYS 46 6.018 3.875 1.690 353 HB2 LYS 46 HB2 LYS 46 8.722 2.591 1.093 354 HB3 LYS 46 HB3 LYS 46 8.270 3.370 2.609 355 HG2 LYS 46 HG2 LYS 46 6.565 1.656 3.009 356 HG3 LYS 46 HG3 LYS 46 6.951 0.894 1.463 357 HD2 LYS 46 HD2 LYS 46 9.377 0.689 2.417 358 HD3 LYS 46 HD3 LYS 46 8.632 1.024 3.979 359 HE2 LYS 46 HE2 LYS 46 7.062 -0.951 3.425 360 HE3 LYS 46 HE3 LYS 46 8.215 -1.349 2.159 361 HZ1 LYS 46 HZ1 LYS 46 8.826 -1.115 5.057 362 HZ2 LYS 46 HZ2 LYS 46 9.948 -1.485 3.845 363 HZ3 LYS 46 HZ3 LYS 46 8.689 -2.561 4.187 364 H THR 47 H THR 47 8.572 4.029 -0.844 365 HA THR 47 HA THR 47 9.756 6.471 -0.156 366 HB THR 47 HB THR 47 9.490 5.309 -2.967 367 HG1 THR 47 HG1 THR 47 10.805 3.838 -2.311 368 HG21 THR 47 HG21 THR 47 10.344 7.646 -2.961 369 HG22 THR 47 HG22 THR 47 11.593 6.501 -3.449 370 HG23 THR 47 HG23 THR 47 11.610 7.173 -1.819 371 H LYS 48 H LYS 48 7.181 5.777 -2.496 372 HA LYS 48 HA LYS 48 6.743 8.329 -3.540 373 HB2 LYS 48 HB2 LYS 48 4.806 5.993 -3.237 374 HB3 LYS 48 HB3 LYS 48 4.506 7.408 -4.246 375 HG2 LYS 48 HG2 LYS 48 6.323 6.832 -5.728 376 HG3 LYS 48 HG3 LYS 48 6.870 5.544 -4.652 377 HD2 LYS 48 HD2 LYS 48 4.729 4.327 -5.066 378 HD3 LYS 48 HD3 LYS 48 4.240 5.602 -6.188 379 HE2 LYS 48 HE2 LYS 48 6.620 3.739 -6.500 380 HE3 LYS 48 HE3 LYS 48 5.111 3.663 -7.406 381 HZ1 LYS 48 HZ1 LYS 48 6.910 4.719 -8.659 382 HZ2 LYS 48 HZ2 LYS 48 7.027 5.935 -7.488 383 HZ3 LYS 48 HZ3 LYS 48 5.621 5.780 -8.408 384 H ILE 49 H ILE 49 5.160 6.650 -0.839 385 HA ILE 49 HA ILE 49 3.267 8.637 -0.170 386 HB ILE 49 HB ILE 49 4.396 6.253 1.360 387 HG12 ILE 49 HG12 ILE 49 1.602 6.708 0.211 388 HG13 ILE 49 HG13 ILE 49 2.887 5.887 -0.659 389 HG21 ILE 49 HG21 ILE 49 2.152 8.059 2.322 390 HG22 ILE 49 HG22 ILE 49 3.733 7.876 3.083 391 HG23 ILE 49 HG23 ILE 49 2.610 6.516 3.053 392 HD11 ILE 49 HD11 ILE 49 1.607 4.945 1.909 393 HD12 ILE 49 HD12 ILE 49 2.904 4.119 1.042 394 HD13 ILE 49 HD13 ILE 49 1.319 4.306 0.293 395 H ASP 50 H ASP 50 6.533 7.935 1.167 396 HA ASP 50 HA ASP 50 6.535 9.881 3.213 397 HB2 ASP 50 HB2 ASP 50 8.761 8.400 1.781 398 HB3 ASP 50 HB3 ASP 50 9.158 9.673 2.931 399 H GLU 51 H GLU 51 7.528 10.092 -0.175 400 HA GLU 51 HA GLU 51 8.611 12.762 0.099 401 HB2 GLU 51 HB2 GLU 51 8.075 11.132 -2.417 402 HB3 GLU 51 HB3 GLU 51 8.989 12.640 -2.346 403 HG2 GLU 51 HG2 GLU 51 9.747 9.936 -1.219 404 HG3 GLU 51 HG3 GLU 51 10.590 10.872 -2.445 405 H THR 52 H THR 52 5.524 11.402 -0.676 406 HA THR 52 HA THR 52 4.480 13.865 -1.839 407 HB THR 52 HB THR 52 3.129 11.199 -1.257 408 HG1 THR 52 HG1 THR 52 4.799 11.413 -2.970 409 HG21 THR 52 HG21 THR 52 1.459 13.032 -1.245 410 HG22 THR 52 HG22 THR 52 1.282 12.019 -2.679 411 HG23 THR 52 HG23 THR 52 2.068 13.593 -2.809 412 H ASN 53 H ASN 53 3.921 15.460 -0.509 413 HA ASN 53 HA ASN 53 2.490 14.872 2.029 414 HB2 ASN 53 HB2 ASN 53 4.188 17.276 1.238 415 HB3 ASN 53 HB3 ASN 53 3.126 17.280 2.646 416 HD21 ASN 53 HD21 ASN 53 6.058 17.500 2.499 417 HD22 ASN 53 HD22 ASN 53 6.679 16.233 3.496 418 H ASP 54 H ASP 54 1.514 14.961 -0.782 419 HA ASP 54 HA ASP 54 -0.687 16.928 -0.442 420 HB2 ASP 54 HB2 ASP 54 0.498 17.218 -2.574 421 HB3 ASP 54 HB3 ASP 54 0.318 15.506 -2.951 422 H SER 55 H SER 55 -2.654 16.162 0.002 423 HA SER 55 HA SER 55 -3.077 13.508 0.803 424 HB2 SER 55 HB2 SER 55 -5.178 15.650 0.277 425 HB3 SER 55 HB3 SER 55 -5.376 14.215 1.290 426 HG SER 55 HG SER 55 -4.883 16.012 2.557 427 H ASP 56 H ASP 56 -3.904 15.175 -2.193 428 HA ASP 56 HA ASP 56 -5.850 13.332 -3.175 429 HB2 ASP 56 HB2 ASP 56 -4.144 15.293 -4.774 430 HB3 ASP 56 HB3 ASP 56 -5.654 14.556 -5.298 431 H ALA 57 H ALA 57 -2.400 13.801 -3.762 432 HA ALA 57 HA ALA 57 -2.054 11.751 -5.708 433 HB1 ALA 57 HB1 ALA 57 0.374 12.156 -5.338 434 HB2 ALA 57 HB2 ALA 57 -0.030 13.185 -3.961 435 HB3 ALA 57 HB3 ALA 57 -0.529 13.656 -5.584 436 H LEU 58 H LEU 58 -1.845 11.861 -2.171 437 HA LEU 58 HA LEU 58 -0.803 9.231 -1.772 438 HB2 LEU 58 HB2 LEU 58 -2.387 11.100 0.007 439 HB3 LEU 58 HB3 LEU 58 -1.867 9.514 0.557 440 HG LEU 58 HG LEU 58 0.012 11.751 -0.301 441 HD11 LEU 58 HD11 LEU 58 0.503 11.976 2.080 442 HD12 LEU 58 HD12 LEU 58 -0.688 10.731 2.466 443 HD13 LEU 58 HD13 LEU 58 -1.208 12.269 1.771 444 HD21 LEU 58 HD21 LEU 58 1.775 10.312 0.654 445 HD22 LEU 58 HD22 LEU 58 0.968 9.522 -0.696 446 HD23 LEU 58 HD23 LEU 58 0.582 9.040 0.957 447 H LEU 59 H LEU 59 -4.087 10.528 -2.167 448 HA LEU 59 HA LEU 59 -5.560 8.209 -1.529 449 HB2 LEU 59 HB2 LEU 59 -6.189 10.500 -3.436 450 HB3 LEU 59 HB3 LEU 59 -7.331 9.206 -3.109 451 HG LEU 59 HG LEU 59 -6.245 11.122 -1.005 452 HD11 LEU 59 HD11 LEU 59 -8.974 11.086 -2.328 453 HD12 LEU 59 HD12 LEU 59 -7.710 12.292 -2.580 454 HD13 LEU 59 HD13 LEU 59 -8.472 12.139 -1.000 455 HD21 LEU 59 HD21 LEU 59 -8.406 8.994 -0.795 456 HD22 LEU 59 HD22 LEU 59 -7.975 10.159 0.462 457 HD23 LEU 59 HD23 LEU 59 -6.807 8.943 -0.043 458 H GLU 60 H GLU 60 -3.936 9.248 -4.487 459 HA GLU 60 HA GLU 60 -4.789 7.142 -6.189 460 HB2 GLU 60 HB2 GLU 60 -3.872 9.220 -7.090 461 HB3 GLU 60 HB3 GLU 60 -2.324 8.919 -6.300 462 HG2 GLU 60 HG2 GLU 60 -1.935 6.965 -7.730 463 HG3 GLU 60 HG3 GLU 60 -3.520 7.166 -8.481 464 H LEU 61 H LEU 61 -1.901 7.578 -4.140 465 HA LEU 61 HA LEU 61 -0.567 5.177 -4.813 466 HB2 LEU 61 HB2 LEU 61 -0.416 6.847 -2.271 467 HB3 LEU 61 HB3 LEU 61 0.723 5.573 -2.693 468 HG LEU 61 HG LEU 61 0.290 8.110 -4.319 469 HD11 LEU 61 HD11 LEU 61 2.460 8.852 -3.463 470 HD12 LEU 61 HD12 LEU 61 2.550 7.431 -2.420 471 HD13 LEU 61 HD13 LEU 61 1.292 8.642 -2.162 472 HD21 LEU 61 HD21 LEU 61 1.023 6.251 -5.715 473 HD22 LEU 61 HD22 LEU 61 2.363 5.911 -4.614 474 HD23 LEU 61 HD23 LEU 61 2.324 7.423 -5.527 475 H GLU 62 H GLU 62 -2.885 5.959 -2.282 476 HA GLU 62 HA GLU 62 -2.859 3.499 -0.868 477 HB2 GLU 62 HB2 GLU 62 -3.623 5.644 0.106 478 HB3 GLU 62 HB3 GLU 62 -4.965 5.703 -1.035 479 HG2 GLU 62 HG2 GLU 62 -5.897 3.636 -0.009 480 HG3 GLU 62 HG3 GLU 62 -4.570 3.633 1.152 481 H ASN 63 H ASN 63 -4.826 4.832 -3.502 482 HA ASN 63 HA ASN 63 -6.769 2.832 -3.813 483 HB2 ASN 63 HB2 ASN 63 -6.814 5.114 -4.881 484 HB3 ASN 63 HB3 ASN 63 -5.524 4.620 -5.964 485 HD21 ASN 63 HD21 ASN 63 -8.204 5.598 -6.593 486 HD22 ASN 63 HD22 ASN 63 -8.950 4.371 -7.557 487 H GLN 64 H GLN 64 -3.597 3.253 -5.373 488 HA GLN 64 HA GLN 64 -3.614 0.895 -6.962 489 HB2 GLN 64 HB2 GLN 64 -1.269 2.558 -5.940 490 HB3 GLN 64 HB3 GLN 64 -1.145 1.311 -7.180 491 HG2 GLN 64 HG2 GLN 64 -2.499 2.601 -8.706 492 HG3 GLN 64 HG3 GLN 64 -2.848 3.803 -7.460 493 HE21 GLN 64 HE21 GLN 64 -1.155 5.203 -6.778 494 HE22 GLN 64 HE22 GLN 64 0.238 5.480 -7.758 495 H PHE 65 H PHE 65 -2.365 1.637 -3.727 496 HA PHE 65 HA PHE 65 -0.890 -0.740 -3.288 497 HB2 PHE 65 HB2 PHE 65 -0.216 1.040 -1.914 498 HB3 PHE 65 HB3 PHE 65 -1.860 1.562 -1.592 499 HD1 PHE 65 HD1 PHE 65 -2.351 1.505 0.675 500 HD2 PHE 65 HD2 PHE 65 0.075 -1.626 -0.950 501 HE1 PHE 65 HE1 PHE 65 -2.272 0.417 2.870 502 HE2 PHE 65 HE2 PHE 65 0.129 -2.706 1.252 503 HZ PHE 65 HZ PHE 65 -1.042 -1.695 3.158 504 H ASN 66 H ASN 66 -4.191 0.230 -2.349 505 HA ASN 66 HA ASN 66 -4.822 -2.142 -0.906 506 HB2 ASN 66 HB2 ASN 66 -6.563 0.061 -2.088 507 HB3 ASN 66 HB3 ASN 66 -7.258 -1.323 -1.255 508 HD21 ASN 66 HD21 ASN 66 -4.266 0.380 -0.303 509 HD22 ASN 66 HD22 ASN 66 -4.906 0.983 1.179 510 H GLU 67 H GLU 67 -5.150 -1.110 -4.261 511 HA GLU 67 HA GLU 67 -6.746 -3.259 -5.191 512 HB2 GLU 67 HB2 GLU 67 -6.454 -1.078 -6.409 513 HB3 GLU 67 HB3 GLU 67 -4.800 -1.538 -6.793 514 HG2 GLU 67 HG2 GLU 67 -6.342 -1.905 -8.693 515 HG3 GLU 67 HG3 GLU 67 -5.577 -3.403 -8.154 516 H THR 68 H THR 68 -3.215 -2.708 -5.147 517 HA THR 68 HA THR 68 -2.385 -4.987 -6.570 518 HB THR 68 HB THR 68 -0.860 -3.396 -4.443 519 HG1 THR 68 HG1 THR 68 -1.626 -2.450 -6.621 520 HG21 THR 68 HG21 THR 68 1.209 -4.300 -5.476 521 HG22 THR 68 HG22 THR 68 0.233 -5.331 -6.523 522 HG23 THR 68 HG23 THR 68 0.227 -5.590 -4.777 523 H ASN 69 H ASN 69 -2.728 -4.379 -3.068 524 HA ASN 69 HA ASN 69 -1.858 -6.887 -2.140 525 HB2 ASN 69 HB2 ASN 69 -1.959 -4.906 -0.686 526 HB3 ASN 69 HB3 ASN 69 -3.716 -4.860 -0.825 527 HD21 ASN 69 HD21 ASN 69 -1.143 -7.183 0.067 528 HD22 ASN 69 HD22 ASN 69 -1.979 -7.826 1.436 529 H ARG 70 H ARG 70 -5.148 -5.662 -2.868 530 HA ARG 70 HA ARG 70 -6.612 -7.943 -2.099 531 HB2 ARG 70 HB2 ARG 70 -7.182 -5.524 -3.788 532 HB3 ARG 70 HB3 ARG 70 -8.253 -6.901 -4.028 533 HG2 ARG 70 HG2 ARG 70 -8.818 -6.914 -1.638 534 HG3 ARG 70 HG3 ARG 70 -7.733 -5.549 -1.351 535 HD2 ARG 70 HD2 ARG 70 -10.073 -5.393 -3.277 536 HD3 ARG 70 HD3 ARG 70 -10.251 -5.045 -1.559 537 HE ARG 70 HE ARG 70 -8.737 -3.189 -1.821 538 HH11 ARG 70 HH11 ARG 70 -9.845 -4.553 -4.881 539 HH12 ARG 70 HH12 ARG 70 -9.531 -3.101 -5.776 540 HH21 ARG 70 HH21 ARG 70 -8.431 -1.285 -2.964 541 HH22 ARG 70 HH22 ARG 70 -8.724 -1.239 -4.669 542 H LEU 71 H LEU 71 -5.242 -7.023 -5.266 543 HA LEU 71 HA LEU 71 -6.159 -9.184 -6.810 544 HB2 LEU 71 HB2 LEU 71 -3.660 -7.459 -7.078 545 HB3 LEU 71 HB3 LEU 71 -4.094 -8.673 -8.273 546 HG LEU 71 HG LEU 71 -5.807 -6.258 -7.560 547 HD11 LEU 71 HD11 LEU 71 -3.749 -5.572 -8.700 548 HD12 LEU 71 HD12 LEU 71 -5.155 -5.354 -9.741 549 HD13 LEU 71 HD13 LEU 71 -4.070 -6.722 -10.004 550 HD21 LEU 71 HD21 LEU 71 -6.146 -8.360 -9.724 551 HD22 LEU 71 HD22 LEU 71 -7.131 -6.905 -9.536 552 HD23 LEU 71 HD23 LEU 71 -7.159 -8.151 -8.291 553 H LEU 72 H LEU 72 -3.249 -8.795 -4.830 554 HA LEU 72 HA LEU 72 -1.975 -11.237 -5.450 555 HB2 LEU 72 HB2 LEU 72 -1.833 -9.470 -2.990 556 HB3 LEU 72 HB3 LEU 72 -0.789 -10.863 -3.232 557 HG LEU 72 HG LEU 72 -0.844 -8.447 -5.074 558 HD11 LEU 72 HD11 LEU 72 -0.100 -7.823 -2.832 559 HD12 LEU 72 HD12 LEU 72 1.242 -7.782 -3.977 560 HD13 LEU 72 HD13 LEU 72 1.090 -9.131 -2.842 561 HD21 LEU 72 HD21 LEU 72 1.261 -9.380 -5.960 562 HD22 LEU 72 HD22 LEU 72 -0.081 -10.495 -6.197 563 HD23 LEU 72 HD23 LEU 72 1.089 -10.792 -4.908 564 H HIS 73 H HIS 73 -4.326 -10.366 -2.887 565 HA HIS 73 HA HIS 73 -4.165 -12.839 -1.478 566 HB2 HIS 73 HB2 HIS 73 -6.264 -10.645 -1.447 567 HB3 HIS 73 HB3 HIS 73 -6.450 -12.111 -0.490 568 HD1 HIS 73 HD1 HIS 73 -4.081 -12.578 1.022 569 HD2 HIS 73 HD2 HIS 73 -5.158 -8.693 0.055 570 HE1 HIS 73 HE1 HIS 73 -2.837 -11.093 2.623 571 HE2 HIS 73 HE2 HIS 73 -3.782 -8.805 2.199 572 H ILE 74 H ILE 74 -6.288 -11.679 -4.065 573 HA ILE 74 HA ILE 74 -8.010 -13.973 -4.100 574 HB ILE 74 HB ILE 74 -7.469 -11.934 -6.316 575 HG12 ILE 74 HG12 ILE 74 -9.767 -11.947 -4.298 576 HG13 ILE 74 HG13 ILE 74 -8.320 -10.964 -4.117 577 HG21 ILE 74 HG21 ILE 74 -8.517 -13.995 -7.188 578 HG22 ILE 74 HG22 ILE 74 -9.638 -12.639 -7.255 579 HG23 ILE 74 HG23 ILE 74 -9.809 -13.857 -5.990 580 HD11 ILE 74 HD11 ILE 74 -10.115 -9.634 -4.976 581 HD12 ILE 74 HD12 ILE 74 -10.362 -10.744 -6.326 582 HD13 ILE 74 HD13 ILE 74 -8.872 -9.800 -6.215 583 H LYS 75 H LYS 75 -5.195 -12.945 -6.002 584 HA LYS 75 HA LYS 75 -5.093 -15.036 -7.883 585 HB2 LYS 75 HB2 LYS 75 -3.957 -12.826 -8.108 586 HB3 LYS 75 HB3 LYS 75 -2.835 -13.279 -6.831 587 HG2 LYS 75 HG2 LYS 75 -2.016 -15.146 -8.297 588 HG3 LYS 75 HG3 LYS 75 -3.072 -14.543 -9.581 589 HD2 LYS 75 HD2 LYS 75 -1.868 -12.386 -9.580 590 HD3 LYS 75 HD3 LYS 75 -0.841 -12.943 -8.255 591 HE2 LYS 75 HE2 LYS 75 -0.942 -14.135 -11.048 592 HE3 LYS 75 HE3 LYS 75 0.330 -13.090 -10.411 593 HZ1 LYS 75 HZ1 LYS 75 1.006 -15.376 -10.302 594 HZ2 LYS 75 HZ2 LYS 75 -0.370 -15.802 -9.420 595 HZ3 LYS 75 HZ3 LYS 75 0.792 -14.795 -8.732 596 H GLN 76 H GLN 76 -3.520 -14.639 -4.711 597 HA GLN 76 HA GLN 76 -2.020 -17.076 -4.808 598 HB2 GLN 76 HB2 GLN 76 -1.242 -16.580 -2.649 599 HB3 GLN 76 HB3 GLN 76 -1.567 -14.977 -3.289 600 HG2 GLN 76 HG2 GLN 76 -3.753 -14.987 -2.053 601 HG3 GLN 76 HG3 GLN 76 -3.320 -16.541 -1.359 602 HE21 GLN 76 HE21 GLN 76 -0.445 -15.626 -1.056 603 HE22 GLN 76 HE22 GLN 76 -0.492 -14.612 0.338 604 H HIS 77 H HIS 77 -5.225 -16.100 -3.724 605 HA HIS 77 HA HIS 77 -5.837 -18.359 -2.115 606 HB2 HIS 77 HB2 HIS 77 -7.088 -16.217 -1.936 607 HB3 HIS 77 HB3 HIS 77 -7.761 -16.462 -3.543 608 HD1 HIS 77 HD1 HIS 77 -7.940 -17.830 -0.019 609 HD2 HIS 77 HD2 HIS 77 -10.004 -18.114 -3.621 610 HE1 HIS 77 HE1 HIS 77 -10.073 -19.051 0.505 611 HE2 HIS 77 HE2 HIS 77 -11.184 -19.373 -1.710 612 H GLU 78 H GLU 78 -6.303 -17.607 -5.551 613 HA GLU 78 HA GLU 78 -7.821 -19.879 -6.243 614 HB2 GLU 78 HB2 GLU 78 -5.824 -18.397 -7.995 615 HB3 GLU 78 HB3 GLU 78 -7.116 -19.451 -8.558 616 HG2 GLU 78 HG2 GLU 78 -7.427 -16.764 -7.200 617 HG3 GLU 78 HG3 GLU 78 -7.698 -17.114 -8.900 618 H GLU 79 H GLU 79 -4.329 -19.342 -5.958 619 HA GLU 79 HA GLU 79 -3.477 -21.934 -6.790 620 HB2 GLU 79 HB2 GLU 79 -2.045 -19.936 -4.984 621 HB3 GLU 79 HB3 GLU 79 -1.295 -21.308 -5.795 622 HG2 GLU 79 HG2 GLU 79 -2.502 -18.863 -7.123 623 HG3 GLU 79 HG3 GLU 79 -0.787 -19.202 -6.938 624 H VAL 80 H VAL 80 -4.404 -20.543 -3.676 625 HA VAL 80 HA VAL 80 -3.684 -22.715 -1.985 626 HB VAL 80 HB VAL 80 -5.637 -20.389 -1.658 627 HG11 VAL 80 HG11 VAL 80 -5.818 -20.905 0.751 628 HG12 VAL 80 HG12 VAL 80 -4.914 -22.401 0.501 629 HG13 VAL 80 HG13 VAL 80 -6.505 -22.197 -0.235 630 HG21 VAL 80 HG21 VAL 80 -3.243 -19.787 -1.686 631 HG22 VAL 80 HG22 VAL 80 -2.931 -20.919 -0.371 632 HG23 VAL 80 HG23 VAL 80 -3.943 -19.500 -0.091 633 H GLU 81 H GLU 81 -6.597 -21.945 -3.856 634 HA GLU 81 HA GLU 81 -8.247 -24.044 -2.845 635 HB2 GLU 81 HB2 GLU 81 -8.433 -22.536 -5.489 636 HB3 GLU 81 HB3 GLU 81 -9.690 -23.576 -4.826 637 HG2 GLU 81 HG2 GLU 81 -8.707 -20.946 -3.698 638 HG3 GLU 81 HG3 GLU 81 -10.269 -21.258 -4.430 639 H LYS 82 H LYS 82 -5.970 -23.759 -5.494 640 HA LYS 82 HA LYS 82 -6.387 -26.231 -6.788 641 HB2 LYS 82 HB2 LYS 82 -5.138 -24.292 -7.734 642 HB3 LYS 82 HB3 LYS 82 -3.864 -24.537 -6.545 643 HG2 LYS 82 HG2 LYS 82 -3.421 -26.785 -7.552 644 HG3 LYS 82 HG3 LYS 82 -4.628 -26.428 -8.794 645 HD2 LYS 82 HD2 LYS 82 -3.277 -24.458 -9.505 646 HD3 LYS 82 HD3 LYS 82 -2.072 -24.860 -8.273 647 HE2 LYS 82 HE2 LYS 82 -2.838 -26.612 -10.639 648 HE3 LYS 82 HE3 LYS 82 -1.371 -25.641 -10.503 649 HZ1 LYS 82 HZ1 LYS 82 -2.109 -27.938 -8.760 650 HZ2 LYS 82 HZ2 LYS 82 -0.723 -26.988 -8.586 651 HZ3 LYS 82 HZ3 LYS 82 -0.925 -27.933 -9.967 652 H ASP 83 H ASP 83 -4.116 -25.217 -4.257 653 HA ASP 83 HA ASP 83 -2.959 -27.772 -3.752 654 HB2 ASP 83 HB2 ASP 83 -2.925 -25.123 -2.275 655 HB3 ASP 83 HB3 ASP 83 -2.159 -26.546 -1.577 656 H LYS 84 H LYS 84 -5.858 -26.236 -2.653 657 HA LYS 84 HA LYS 84 -6.250 -27.495 -0.152 658 HB2 LYS 84 HB2 LYS 84 -7.466 -25.429 -1.177 659 HB3 LYS 84 HB3 LYS 84 -8.492 -26.587 -2.012 660 HG2 LYS 84 HG2 LYS 84 -9.570 -25.752 0.014 661 HG3 LYS 84 HG3 LYS 84 -9.248 -27.487 0.154 662 HD2 LYS 84 HD2 LYS 84 -7.325 -27.084 1.591 663 HD3 LYS 84 HD3 LYS 84 -7.419 -25.340 1.320 664 HE2 LYS 84 HE2 LYS 84 -9.538 -25.241 2.521 665 HE3 LYS 84 HE3 LYS 84 -9.541 -26.996 2.716 666 HZ1 LYS 84 HZ1 LYS 84 -7.543 -26.819 4.047 667 HZ2 LYS 84 HZ2 LYS 84 -8.781 -25.878 4.710 668 HZ3 LYS 84 HZ3 LYS 84 -7.528 -25.139 3.854 669 H LYS 85 H LYS 85 -7.297 -28.303 -3.435 670 HA LYS 85 HA LYS 85 -8.522 -30.826 -2.687 671 HB2 LYS 85 HB2 LYS 85 -7.960 -29.556 -5.403 672 HB3 LYS 85 HB3 LYS 85 -8.833 -31.070 -5.179 673 HG2 LYS 85 HG2 LYS 85 -9.730 -28.387 -4.072 674 HG3 LYS 85 HG3 LYS 85 -10.321 -29.120 -5.568 675 HD2 LYS 85 HD2 LYS 85 -11.146 -31.078 -4.250 676 HD3 LYS 85 HD3 LYS 85 -10.618 -30.277 -2.765 677 HE2 LYS 85 HE2 LYS 85 -12.716 -29.208 -4.693 678 HE3 LYS 85 HE3 LYS 85 -13.046 -30.009 -3.157 679 HZ1 LYS 85 HZ1 LYS 85 -13.144 -27.569 -3.021 680 HZ2 LYS 85 HZ2 LYS 85 -11.508 -27.489 -3.431 681 HZ3 LYS 85 HZ3 LYS 85 -11.977 -28.226 -1.991 682 H ALA 86 H ALA 86 -5.339 -29.871 -3.081 683 HA ALA 86 HA ALA 86 -4.305 -32.447 -4.047 684 HB1 ALA 86 HB1 ALA 86 -2.830 -29.911 -3.222 685 HB2 ALA 86 HB2 ALA 86 -3.244 -30.378 -4.873 686 HB3 ALA 86 HB3 ALA 86 -2.098 -31.346 -3.947 687 H LYS 87 H LYS 87 -5.775 -32.087 -1.446 688 HA LYS 87 HA LYS 87 -4.113 -32.542 0.767 689 HB2 LYS 87 HB2 LYS 87 -6.491 -32.049 1.035 690 HB3 LYS 87 HB3 LYS 87 -6.933 -33.523 0.182 691 HG2 LYS 87 HG2 LYS 87 -5.866 -34.848 2.060 692 HG3 LYS 87 HG3 LYS 87 -5.623 -33.329 2.919 693 HD2 LYS 87 HD2 LYS 87 -7.595 -34.340 3.819 694 HD3 LYS 87 HD3 LYS 87 -8.125 -32.971 2.843 695 HE2 LYS 87 HE2 LYS 87 -8.108 -35.827 1.808 696 HE3 LYS 87 HE3 LYS 87 -9.488 -35.122 2.639 697 HZ1 LYS 87 HZ1 LYS 87 -9.785 -34.981 0.282 698 HZ2 LYS 87 HZ2 LYS 87 -8.319 -34.169 0.083 699 HZ3 LYS 87 HZ3 LYS 87 -9.589 -33.428 0.909 700 H GLN 88 H GLN 88 -5.507 -34.807 -1.607 701 HA GLN 88 HA GLN 88 -4.041 -37.054 -0.439 702 HB2 GLN 88 HB2 GLN 88 -5.977 -36.948 -2.788 703 HB3 GLN 88 HB3 GLN 88 -5.169 -38.411 -2.242 704 HG2 GLN 88 HG2 GLN 88 -7.155 -36.772 -0.626 705 HG3 GLN 88 HG3 GLN 88 -7.489 -38.302 -1.430 706 HE21 GLN 88 HE21 GLN 88 -7.996 -39.547 0.324 707 HE22 GLN 88 HE22 GLN 88 -6.933 -39.881 1.645 708 H GLN 89 H GLN 89 -2.135 -35.591 -0.910 709 HA GLN 89 HA GLN 89 -0.666 -36.705 -3.152 710 HB2 GLN 89 HB2 GLN 89 -1.693 -34.627 -4.128 711 HB3 GLN 89 HB3 GLN 89 -0.965 -33.661 -2.857 712 HG2 GLN 89 HG2 GLN 89 0.751 -35.292 -4.750 713 HG3 GLN 89 HG3 GLN 89 0.147 -33.703 -5.217 714 HE21 GLN 89 HE21 GLN 89 2.916 -34.715 -4.707 715 HE22 GLN 89 HE22 GLN 89 3.589 -33.598 -3.570 716 H LYS 90 H LYS 90 -0.615 -34.206 -0.588 717 HA LYS 90 HA LYS 90 2.081 -34.809 0.252 718 HB2 LYS 90 HB2 LYS 90 1.492 -33.253 2.225 719 HB3 LYS 90 HB3 LYS 90 1.445 -32.552 0.621 720 HG2 LYS 90 HG2 LYS 90 -0.394 -31.698 1.948 721 HG3 LYS 90 HG3 LYS 90 -1.022 -32.675 0.621 722 HD2 LYS 90 HD2 LYS 90 -1.583 -34.486 2.094 723 HD3 LYS 90 HD3 LYS 90 -0.679 -33.783 3.438 724 HE2 LYS 90 HE2 LYS 90 -3.183 -32.611 2.197 725 HE3 LYS 90 HE3 LYS 90 -3.122 -33.523 3.703 726 HZ1 LYS 90 HZ1 LYS 90 -1.715 -31.811 4.646 727 HZ2 LYS 90 HZ2 LYS 90 -3.173 -31.157 4.095 728 HZ3 LYS 90 HZ3 LYS 90 -1.762 -30.933 3.198 729 H THR 91 H THR 91 2.448 -35.251 2.702 730 HA THR 91 HA THR 91 0.768 -37.523 3.621 731 HB THR 91 HB THR 91 3.713 -37.101 4.322 732 HG1 THR 91 HG1 THR 91 2.580 -38.554 2.136 733 HG21 THR 91 HG21 THR 91 3.693 -39.534 4.767 734 HG22 THR 91 HG22 THR 91 1.987 -39.617 4.331 735 HG23 THR 91 HG23 THR 91 2.485 -38.719 5.768 736 H LEU 92 H LEU 92 1.748 -34.345 4.336 737 HA LEU 92 HA LEU 92 0.665 -34.392 7.053 738 HB2 LEU 92 HB2 LEU 92 3.206 -34.996 7.026 739 HB3 LEU 92 HB3 LEU 92 3.479 -33.332 6.548 740 HG LEU 92 HG LEU 92 2.463 -32.563 8.711 741 HD11 LEU 92 HD11 LEU 92 0.912 -34.404 9.125 742 HD12 LEU 92 HD12 LEU 92 1.977 -34.163 10.506 743 HD13 LEU 92 HD13 LEU 92 2.262 -35.511 9.402 744 HD21 LEU 92 HD21 LEU 92 4.288 -33.263 10.188 745 HD22 LEU 92 HD22 LEU 92 4.886 -32.868 8.579 746 HD23 LEU 92 HD23 LEU 92 4.720 -34.558 9.067 747 H LYS 93 H LYS 93 1.469 -31.696 7.738 748 HA LYS 93 HA LYS 93 1.414 -29.477 7.249 749 HB2 LYS 93 HB2 LYS 93 2.482 -29.847 5.082 750 HB3 LYS 93 HB3 LYS 93 0.955 -30.330 4.359 751 HG2 LYS 93 HG2 LYS 93 0.096 -28.015 4.644 752 HG3 LYS 93 HG3 LYS 93 1.638 -27.536 5.360 753 HD2 LYS 93 HD2 LYS 93 1.186 -28.529 2.517 754 HD3 LYS 93 HD3 LYS 93 1.570 -26.873 2.992 755 HE2 LYS 93 HE2 LYS 93 3.397 -29.298 3.276 756 HE3 LYS 93 HE3 LYS 93 3.567 -27.993 2.103 757 HZ1 LYS 93 HZ1 LYS 93 5.065 -27.749 4.009 758 HZ2 LYS 93 HZ2 LYS 93 3.736 -27.644 5.049 759 HZ3 LYS 93 HZ3 LYS 93 3.988 -26.455 3.879 760 H GLN 94 H GLN 94 -0.296 -28.594 8.248 761 HA GLN 94 HA GLN 94 -3.014 -28.863 7.066 762 HB2 GLN 94 HB2 GLN 94 -2.172 -28.456 9.967 763 HB3 GLN 94 HB3 GLN 94 -3.832 -28.260 9.411 764 HG2 GLN 94 HG2 GLN 94 -2.234 -30.834 9.170 765 HG3 GLN 94 HG3 GLN 94 -3.374 -30.481 10.468 766 HE21 GLN 94 HE21 GLN 94 -3.036 -31.238 7.075 767 HE22 GLN 94 HE22 GLN 94 -4.699 -31.614 6.791 768 H SER 95 H SER 95 -3.022 -27.168 5.718 769 HA SER 95 HA SER 95 -1.901 -24.592 6.306 770 HB2 SER 95 HB2 SER 95 -2.987 -23.994 4.064 771 HB3 SER 95 HB3 SER 95 -1.844 -25.335 4.004 772 HG SER 95 HG SER 95 -3.812 -25.743 2.867 773 H ASP 96 H ASP 96 -2.955 -23.761 8.130 774 HA ASP 96 HA ASP 96 -5.836 -23.573 8.302 775 HB2 ASP 96 HB2 ASP 96 -5.542 -22.626 10.445 776 HB3 ASP 96 HB3 ASP 96 -4.157 -23.696 10.297 777 H THR 97 H THR 97 -7.118 -21.808 7.907 778 HA THR 97 HA THR 97 -5.993 -19.512 6.437 779 HB THR 97 HB THR 97 -8.453 -19.027 5.958 780 HG1 THR 97 HG1 THR 97 -9.963 -20.474 6.618 781 HG21 THR 97 HG21 THR 97 -7.471 -21.784 5.095 782 HG22 THR 97 HG22 THR 97 -7.074 -20.261 4.296 783 HG23 THR 97 HG23 THR 97 -8.739 -20.845 4.301 784 H LYS 98 H LYS 98 -7.640 -20.384 9.413 785 HA LYS 98 HA LYS 98 -6.882 -17.922 10.703 786 HB2 LYS 98 HB2 LYS 98 -9.126 -17.431 9.496 787 HB3 LYS 98 HB3 LYS 98 -9.883 -18.556 10.610 788 HG2 LYS 98 HG2 LYS 98 -8.359 -16.108 11.569 789 HG3 LYS 98 HG3 LYS 98 -10.062 -16.033 11.125 790 HD2 LYS 98 HD2 LYS 98 -10.621 -17.646 12.891 791 HD3 LYS 98 HD3 LYS 98 -8.916 -17.831 13.301 792 HE2 LYS 98 HE2 LYS 98 -8.847 -15.435 13.971 793 HE3 LYS 98 HE3 LYS 98 -10.573 -15.300 13.615 794 HZ1 LYS 98 HZ1 LYS 98 -10.156 -15.669 15.968 795 HZ2 LYS 98 HZ2 LYS 98 -9.375 -17.129 15.629 796 HZ3 LYS 98 HZ3 LYS 98 -11.023 -16.954 15.301 797 H VAL 99 H VAL 99 -9.133 -20.699 11.001 798 HA VAL 99 HA VAL 99 -7.735 -21.570 13.475 799 HB VAL 99 HB VAL 99 -10.647 -22.116 12.663 800 HG11 VAL 99 HG11 VAL 99 -9.128 -23.052 15.138 801 HG12 VAL 99 HG12 VAL 99 -9.694 -24.076 13.816 802 HG13 VAL 99 HG13 VAL 99 -10.859 -23.266 14.863 803 HG21 VAL 99 HG21 VAL 99 -11.244 -20.790 14.683 804 HG22 VAL 99 HG22 VAL 99 -10.330 -19.825 13.519 805 HG23 VAL 99 HG23 VAL 99 -9.532 -20.453 14.962 Start of MODEL 19 1 H2 GLY 1 H2 GLY 1 -13.669 0.842 18.904 2 H GLY 1 H1 GLY 1 -14.889 -0.296 19.134 3 H3 GLY 1 H3 GLY 1 -14.065 -0.228 17.661 4 HA2 GLY 1 HA2 GLY 1 -16.271 0.759 17.489 5 HA3 GLY 1 HA3 GLY 1 -15.819 1.894 18.755 6 H VAL 2 H VAL 2 -16.098 3.713 17.400 7 HA VAL 2 HA VAL 2 -14.675 4.075 14.933 8 HB VAL 2 HB VAL 2 -15.980 6.142 16.772 9 HG11 VAL 2 HG11 VAL 2 -15.086 6.469 13.886 10 HG12 VAL 2 HG12 VAL 2 -14.330 7.219 15.295 11 HG13 VAL 2 HG13 VAL 2 -15.973 7.669 14.833 12 HG21 VAL 2 HG21 VAL 2 -17.611 4.501 15.923 13 HG22 VAL 2 HG22 VAL 2 -17.086 4.817 14.268 14 HG23 VAL 2 HG23 VAL 2 -17.884 6.089 15.196 15 H GLU 3 H GLU 3 -14.276 5.263 18.239 16 HA GLU 3 HA GLU 3 -12.617 6.056 19.489 17 HB2 GLU 3 HB2 GLU 3 -11.521 3.854 18.667 18 HB3 GLU 3 HB3 GLU 3 -10.573 4.864 17.580 19 HG2 GLU 3 HG2 GLU 3 -9.703 6.117 19.571 20 HG3 GLU 3 HG3 GLU 3 -10.591 5.010 20.619 21 H LYS 4 H LYS 4 -13.751 7.785 17.774 22 HA LYS 4 HA LYS 4 -11.875 9.553 16.491 23 HB2 LYS 4 HB2 LYS 4 -14.439 9.290 16.059 24 HB3 LYS 4 HB3 LYS 4 -14.678 10.273 17.492 25 HG2 LYS 4 HG2 LYS 4 -13.115 11.218 15.059 26 HG3 LYS 4 HG3 LYS 4 -14.851 11.459 15.252 27 HD2 LYS 4 HD2 LYS 4 -14.380 12.747 17.363 28 HD3 LYS 4 HD3 LYS 4 -12.652 12.592 17.027 29 HE2 LYS 4 HE2 LYS 4 -13.460 14.776 16.290 30 HE3 LYS 4 HE3 LYS 4 -12.976 13.819 14.891 31 HZ1 LYS 4 HZ1 LYS 4 -15.072 14.997 14.531 32 HZ2 LYS 4 HZ2 LYS 4 -15.781 14.179 15.828 33 HZ3 LYS 4 HZ3 LYS 4 -15.295 13.324 14.456 34 H THR 5 H THR 5 -10.269 9.907 18.024 35 HA THR 5 HA THR 5 -10.978 11.143 20.632 36 HB THR 5 HB THR 5 -8.404 9.663 19.906 37 HG1 THR 5 HG1 THR 5 -9.949 8.114 19.857 38 HG21 THR 5 HG21 THR 5 -8.069 9.523 22.346 39 HG22 THR 5 HG22 THR 5 -9.567 10.408 22.623 40 HG23 THR 5 HG23 THR 5 -8.205 11.216 21.847 41 H ALA 6 H ALA 6 -10.541 13.277 20.692 42 HA ALA 6 HA ALA 6 -9.756 15.362 20.263 43 HB1 ALA 6 HB1 ALA 6 -7.089 13.906 20.173 44 HB2 ALA 6 HB2 ALA 6 -7.916 14.453 21.634 45 HB3 ALA 6 HB3 ALA 6 -7.317 15.632 20.466 46 H GLY 7 H GLY 7 -10.799 14.194 17.969 47 HA2 GLY 7 HA2 GLY 7 -8.954 14.467 15.725 48 HA3 GLY 7 HA3 GLY 7 -10.621 13.919 15.669 49 H GLU 8 H GLU 8 -9.680 16.937 17.202 50 HA GLU 8 HA GLU 8 -11.149 18.505 15.226 51 HB2 GLU 8 HB2 GLU 8 -9.589 19.423 17.694 52 HB3 GLU 8 HB3 GLU 8 -10.704 20.406 16.743 53 HG2 GLU 8 HG2 GLU 8 -12.580 18.946 17.406 54 HG3 GLU 8 HG3 GLU 8 -11.475 17.927 18.325 55 H THR 9 H THR 9 -9.908 18.176 13.375 56 HA THR 9 HA THR 9 -7.090 18.162 13.252 57 HB THR 9 HB THR 9 -7.453 18.218 10.733 58 HG1 THR 9 HG1 THR 9 -9.506 19.478 11.014 59 HG21 THR 9 HG21 THR 9 -7.477 16.045 11.963 60 HG22 THR 9 HG22 THR 9 -8.568 16.033 10.577 61 HG23 THR 9 HG23 THR 9 -9.222 16.220 12.204 62 H SER 10 H SER 10 -6.321 20.070 14.211 63 HA SER 10 HA SER 10 -6.880 22.687 13.179 64 HB2 SER 10 HB2 SER 10 -6.060 22.251 15.514 65 HB3 SER 10 HB3 SER 10 -4.503 21.752 14.851 66 HG SER 10 HG SER 10 -5.705 24.311 14.868 67 H ALA 11 H ALA 11 -6.596 22.617 11.005 68 HA ALA 11 HA ALA 11 -3.912 22.065 9.878 69 HB1 ALA 11 HB1 ALA 11 -6.614 21.350 8.663 70 HB2 ALA 11 HB2 ALA 11 -5.486 20.213 9.405 71 HB3 ALA 11 HB3 ALA 11 -5.033 21.061 7.926 72 H THR 12 H THR 12 -5.775 24.559 10.606 73 HA THR 12 HA THR 12 -6.295 26.097 8.350 74 HB THR 12 HB THR 12 -5.263 27.068 11.051 75 HG1 THR 12 HG1 THR 12 -7.731 26.102 10.178 76 HG21 THR 12 HG21 THR 12 -5.184 28.896 9.388 77 HG22 THR 12 HG22 THR 12 -6.483 29.185 10.543 78 HG23 THR 12 HG23 THR 12 -6.862 28.576 8.934 79 H ASP 13 H ASP 13 -3.300 26.014 10.286 80 HA ASP 13 HA ASP 13 -1.707 27.441 8.349 81 HB2 ASP 13 HB2 ASP 13 -0.933 25.816 10.812 82 HB3 ASP 13 HB3 ASP 13 0.204 26.750 9.843 83 H THR 14 H THR 14 -0.279 26.594 6.876 84 HA THR 14 HA THR 14 -0.701 24.105 5.681 85 HB THR 14 HB THR 14 1.807 25.851 5.542 86 HG1 THR 14 HG1 THR 14 0.649 26.643 3.601 87 HG21 THR 14 HG21 THR 14 0.743 23.829 3.520 88 HG22 THR 14 HG22 THR 14 2.172 23.606 4.534 89 HG23 THR 14 HG23 THR 14 2.151 24.869 3.301 90 H GLY 15 H GLY 15 1.741 25.174 8.028 91 HA2 GLY 15 HA2 GLY 15 3.355 22.891 8.158 92 HA3 GLY 15 HA3 GLY 15 3.186 24.100 9.415 93 H LYS 16 H LYS 16 0.509 23.782 10.125 94 HA LYS 16 HA LYS 16 0.643 21.549 11.905 95 HB2 LYS 16 HB2 LYS 16 -1.677 23.413 11.227 96 HB3 LYS 16 HB3 LYS 16 -1.677 22.267 12.561 97 HG2 LYS 16 HG2 LYS 16 0.229 24.615 12.281 98 HG3 LYS 16 HG3 LYS 16 -1.227 24.593 13.281 99 HD2 LYS 16 HD2 LYS 16 -0.286 22.809 14.679 100 HD3 LYS 16 HD3 LYS 16 1.144 22.712 13.646 101 HE2 LYS 16 HE2 LYS 16 1.688 23.963 15.660 102 HE3 LYS 16 HE3 LYS 16 1.709 25.068 14.286 103 HZ1 LYS 16 HZ1 LYS 16 -0.544 24.764 16.199 104 HZ2 LYS 16 HZ2 LYS 16 -0.463 25.869 14.926 105 HZ3 LYS 16 HZ3 LYS 16 0.596 26.009 16.230 106 H ARG 17 H ARG 17 -0.977 22.198 8.861 107 HA ARG 17 HA ARG 17 -2.641 19.918 8.650 108 HB2 ARG 17 HB2 ARG 17 -2.822 22.007 7.278 109 HB3 ARG 17 HB3 ARG 17 -1.337 21.570 6.445 110 HG2 ARG 17 HG2 ARG 17 -2.459 19.574 5.496 111 HG3 ARG 17 HG3 ARG 17 -3.938 19.996 6.370 112 HD2 ARG 17 HD2 ARG 17 -2.605 21.564 4.139 113 HD3 ARG 17 HD3 ARG 17 -4.184 20.768 4.094 114 HE ARG 17 HE ARG 17 -4.430 22.538 6.139 115 HH11 ARG 17 HH11 ARG 17 -3.540 22.932 2.764 116 HH12 ARG 17 HH12 ARG 17 -4.121 24.565 2.682 117 HH21 ARG 17 HH21 ARG 17 -5.082 24.685 6.062 118 HH22 ARG 17 HH22 ARG 17 -5.001 25.567 4.568 119 H GLU 18 H GLU 18 0.674 20.631 7.648 120 HA GLU 18 HA GLU 18 1.268 18.235 6.273 121 HB2 GLU 18 HB2 GLU 18 3.033 20.325 7.606 122 HB3 GLU 18 HB3 GLU 18 3.706 18.935 6.759 123 HG2 GLU 18 HG2 GLU 18 2.653 19.672 4.656 124 HG3 GLU 18 HG3 GLU 18 1.924 21.044 5.488 125 H LYS 19 H LYS 19 1.514 19.132 9.701 126 HA LYS 19 HA LYS 19 2.996 16.914 10.635 127 HB2 LYS 19 HB2 LYS 19 0.871 18.545 12.107 128 HB3 LYS 19 HB3 LYS 19 2.003 17.433 12.878 129 HG2 LYS 19 HG2 LYS 19 3.891 18.821 12.162 130 HG3 LYS 19 HG3 LYS 19 2.785 19.919 11.333 131 HD2 LYS 19 HD2 LYS 19 1.699 20.376 13.589 132 HD3 LYS 19 HD3 LYS 19 2.999 19.433 14.329 133 HE2 LYS 19 HE2 LYS 19 3.296 22.003 12.735 134 HE3 LYS 19 HE3 LYS 19 3.544 21.798 14.468 135 HZ1 LYS 19 HZ1 LYS 19 5.644 21.861 13.300 136 HZ2 LYS 19 HZ2 LYS 19 5.185 20.573 12.313 137 HZ3 LYS 19 HZ3 LYS 19 5.416 20.327 13.967 138 H GLN 20 H GLN 20 -0.514 17.438 10.374 139 HA GLN 20 HA GLN 20 -1.388 14.890 11.243 140 HB2 GLN 20 HB2 GLN 20 -2.697 16.965 9.433 141 HB3 GLN 20 HB3 GLN 20 -3.539 15.543 10.045 142 HG2 GLN 20 HG2 GLN 20 -2.322 17.732 11.764 143 HG3 GLN 20 HG3 GLN 20 -4.033 17.575 11.368 144 HE21 GLN 20 HE21 GLN 20 -1.371 16.167 13.172 145 HE22 GLN 20 HE22 GLN 20 -2.340 15.200 14.221 146 H LEU 21 H LEU 21 -0.358 16.123 8.148 147 HA LEU 21 HA LEU 21 -1.241 13.926 6.542 148 HB2 LEU 21 HB2 LEU 21 -0.878 16.366 5.875 149 HB3 LEU 21 HB3 LEU 21 0.840 16.042 5.870 150 HG LEU 21 HG LEU 21 -1.001 14.399 4.092 151 HD11 LEU 21 HD11 LEU 21 -0.754 16.016 2.290 152 HD12 LEU 21 HD12 LEU 21 0.124 17.118 3.354 153 HD13 LEU 21 HD13 LEU 21 -1.579 16.756 3.662 154 HD21 LEU 21 HD21 LEU 21 0.981 14.276 2.631 155 HD22 LEU 21 HD22 LEU 21 1.341 13.670 4.245 156 HD23 LEU 21 HD23 LEU 21 1.891 15.278 3.768 157 H GLN 22 H GLN 22 1.747 14.741 8.287 158 HA GLN 22 HA GLN 22 3.345 12.633 7.124 159 HB2 GLN 22 HB2 GLN 22 3.825 14.376 9.572 160 HB3 GLN 22 HB3 GLN 22 4.973 13.159 9.010 161 HG2 GLN 22 HG2 GLN 22 5.204 14.356 6.866 162 HG3 GLN 22 HG3 GLN 22 4.042 15.562 7.413 163 HE21 GLN 22 HE21 GLN 22 5.430 17.301 7.336 164 HE22 GLN 22 HE22 GLN 22 6.809 17.481 8.357 165 H GLN 23 H GLN 23 1.368 12.992 10.030 166 HA GLN 23 HA GLN 23 1.966 10.468 11.191 167 HB2 GLN 23 HB2 GLN 23 -0.562 12.166 11.389 168 HB3 GLN 23 HB3 GLN 23 -0.251 10.740 12.377 169 HG2 GLN 23 HG2 GLN 23 1.505 13.215 12.357 170 HG3 GLN 23 HG3 GLN 23 0.217 12.918 13.522 171 HE21 GLN 23 HE21 GLN 23 1.850 13.123 15.162 172 HE22 GLN 23 HE22 GLN 23 2.891 11.797 15.545 173 H TRP 24 H TRP 24 -0.357 11.580 8.788 174 HA TRP 24 HA TRP 24 -1.650 9.100 8.314 175 HB2 TRP 24 HB2 TRP 24 -2.639 11.306 7.732 176 HB3 TRP 24 HB3 TRP 24 -1.400 11.543 6.506 177 HD1 TRP 24 HD1 TRP 24 -3.446 8.266 6.983 178 HE1 TRP 24 HE1 TRP 24 -4.815 7.860 4.835 179 HE3 TRP 24 HE3 TRP 24 -2.324 12.569 4.473 180 HZ2 TRP 24 HZ2 TRP 24 -5.352 9.188 2.415 181 HZ3 TRP 24 HZ3 TRP 24 -3.306 12.923 2.247 182 HH2 TRP 24 HH2 TRP 24 -4.794 11.267 1.234 183 H LYS 25 H LYS 25 1.302 10.615 6.959 184 HA LYS 25 HA LYS 25 1.826 8.800 4.877 185 HB2 LYS 25 HB2 LYS 25 3.800 10.250 6.693 186 HB3 LYS 25 HB3 LYS 25 4.308 9.269 5.323 187 HG2 LYS 25 HG2 LYS 25 3.167 10.788 3.776 188 HG3 LYS 25 HG3 LYS 25 2.573 11.752 5.136 189 HD2 LYS 25 HD2 LYS 25 4.977 12.183 5.788 190 HD3 LYS 25 HD3 LYS 25 5.478 11.360 4.307 191 HE2 LYS 25 HE2 LYS 25 3.684 13.804 4.363 192 HE3 LYS 25 HE3 LYS 25 5.424 13.869 4.158 193 HZ1 LYS 25 HZ1 LYS 25 3.533 12.501 2.332 194 HZ2 LYS 25 HZ2 LYS 25 5.207 12.566 2.140 195 HZ3 LYS 25 HZ3 LYS 25 4.295 13.982 2.044 196 H ASN 26 H ASN 26 2.800 8.741 8.295 197 HA ASN 26 HA ASN 26 4.108 6.291 8.430 198 HB2 ASN 26 HB2 ASN 26 2.350 7.540 10.604 199 HB3 ASN 26 HB3 ASN 26 3.604 6.330 10.864 200 HD21 ASN 26 HD21 ASN 26 3.317 9.026 11.978 201 HD22 ASN 26 HD22 ASN 26 4.762 9.876 11.563 202 H ASN 27 H ASN 27 0.646 7.050 8.817 203 HA ASN 27 HA ASN 27 -0.323 4.524 9.522 204 HB2 ASN 27 HB2 ASN 27 -1.733 6.774 8.024 205 HB3 ASN 27 HB3 ASN 27 -2.552 5.387 8.729 206 HD21 ASN 27 HD21 ASN 27 -0.780 5.462 11.167 207 HD22 ASN 27 HD22 ASN 27 -1.347 6.810 12.078 208 H LEU 28 H LEU 28 -0.078 6.064 6.309 209 HA LEU 28 HA LEU 28 -1.288 4.000 4.812 210 HB2 LEU 28 HB2 LEU 28 0.687 6.148 3.935 211 HB3 LEU 28 HB3 LEU 28 -0.191 5.110 2.824 212 HG LEU 28 HG LEU 28 -1.419 7.193 4.673 213 HD11 LEU 28 HD11 LEU 28 -1.990 8.404 2.616 214 HD12 LEU 28 HD12 LEU 28 -1.145 7.187 1.653 215 HD13 LEU 28 HD13 LEU 28 -0.246 8.201 2.783 216 HD21 LEU 28 HD21 LEU 28 -2.798 5.360 2.692 217 HD22 LEU 28 HD22 LEU 28 -3.556 6.694 3.567 218 HD23 LEU 28 HD23 LEU 28 -2.937 5.304 4.453 219 H LYS 29 H LYS 29 2.140 4.776 5.436 220 HA LYS 29 HA LYS 29 3.288 2.757 3.825 221 HB2 LYS 29 HB2 LYS 29 4.439 4.263 6.211 222 HB3 LYS 29 HB3 LYS 29 5.385 3.226 5.143 223 HG2 LYS 29 HG2 LYS 29 4.823 4.704 3.231 224 HG3 LYS 29 HG3 LYS 29 3.927 5.762 4.324 225 HD2 LYS 29 HD2 LYS 29 6.902 5.142 4.509 226 HD3 LYS 29 HD3 LYS 29 6.207 6.623 3.848 227 HE2 LYS 29 HE2 LYS 29 5.310 7.234 6.032 228 HE3 LYS 29 HE3 LYS 29 5.823 5.691 6.716 229 HZ1 LYS 29 HZ1 LYS 29 8.086 6.301 6.483 230 HZ2 LYS 29 HZ2 LYS 29 7.307 7.611 7.212 231 HZ3 LYS 29 HZ3 LYS 29 7.710 7.670 5.574 232 H ASN 30 H ASN 30 2.226 2.754 7.204 233 HA ASN 30 HA ASN 30 3.315 0.271 8.019 234 HB2 ASN 30 HB2 ASN 30 0.733 1.632 8.914 235 HB3 ASN 30 HB3 ASN 30 1.412 0.207 9.693 236 HD21 ASN 30 HD21 ASN 30 0.872 2.880 10.736 237 HD22 ASN 30 HD22 ASN 30 2.366 3.451 11.379 238 H ASP 31 H ASP 31 0.208 1.150 6.554 239 HA ASP 31 HA ASP 31 -0.917 -1.436 6.436 240 HB2 ASP 31 HB2 ASP 31 -1.506 1.092 4.827 241 HB3 ASP 31 HB3 ASP 31 -2.444 -0.387 4.653 242 H VAL 32 H VAL 32 1.119 0.383 4.162 243 HA VAL 32 HA VAL 32 1.000 -1.405 1.970 244 HB VAL 32 HB VAL 32 3.291 0.472 2.747 245 HG11 VAL 32 HG11 VAL 32 2.681 -0.770 0.035 246 HG12 VAL 32 HG12 VAL 32 4.024 -1.217 1.089 247 HG13 VAL 32 HG13 VAL 32 3.961 0.396 0.377 248 HG21 VAL 32 HG21 VAL 32 0.976 0.946 0.836 249 HG22 VAL 32 HG22 VAL 32 2.296 2.075 1.169 250 HG23 VAL 32 HG23 VAL 32 1.147 1.660 2.439 251 H ASP 33 H ASP 33 3.078 -1.272 4.849 252 HA ASP 33 HA ASP 33 4.652 -3.578 4.124 253 HB2 ASP 33 HB2 ASP 33 5.624 -1.797 5.522 254 HB3 ASP 33 HB3 ASP 33 4.444 -2.118 6.790 255 H ASN 34 H ASN 34 1.651 -3.080 5.869 256 HA ASN 34 HA ASN 34 1.637 -5.668 7.176 257 HB2 ASN 34 HB2 ASN 34 -0.373 -3.408 6.989 258 HB3 ASN 34 HB3 ASN 34 -0.942 -5.000 7.465 259 HD21 ASN 34 HD21 ASN 34 0.521 -2.140 8.570 260 HD22 ASN 34 HD22 ASN 34 0.897 -2.670 10.171 261 H THR 35 H THR 35 0.564 -4.352 4.122 262 HA THR 35 HA THR 35 -1.126 -6.601 3.415 263 HB THR 35 HB THR 35 -1.055 -5.562 1.099 264 HG1 THR 35 HG1 THR 35 0.397 -3.502 2.416 265 HG21 THR 35 HG21 THR 35 -2.885 -4.975 2.626 266 HG22 THR 35 HG22 THR 35 -2.411 -3.569 1.668 267 HG23 THR 35 HG23 THR 35 -1.892 -3.702 3.347 268 H ILE 36 H ILE 36 -0.583 -7.992 1.560 269 HA ILE 36 HA ILE 36 1.983 -9.212 2.105 270 HB ILE 36 HB ILE 36 1.143 -11.159 0.926 271 HG12 ILE 36 HG12 ILE 36 -1.307 -9.546 0.057 272 HG13 ILE 36 HG13 ILE 36 0.059 -9.882 -0.998 273 HG21 ILE 36 HG21 ILE 36 -1.108 -9.916 2.558 274 HG22 ILE 36 HG22 ILE 36 0.272 -10.800 3.217 275 HG23 ILE 36 HG23 ILE 36 -0.917 -11.639 2.216 276 HD11 ILE 36 HD11 ILE 36 -1.798 -11.382 -1.414 277 HD12 ILE 36 HD12 ILE 36 -1.734 -11.957 0.250 278 HD13 ILE 36 HD13 ILE 36 -0.383 -12.265 -0.845 279 H LEU 37 H LEU 37 1.885 -6.676 0.437 280 HA LEU 37 HA LEU 37 2.552 -7.157 -2.253 281 HB2 LEU 37 HB2 LEU 37 3.731 -4.923 -0.552 282 HB3 LEU 37 HB3 LEU 37 3.500 -4.933 -2.292 283 HG LEU 37 HG LEU 37 1.362 -4.664 -0.153 284 HD11 LEU 37 HD11 LEU 37 0.994 -2.462 -1.146 285 HD12 LEU 37 HD12 LEU 37 2.293 -2.749 -2.308 286 HD13 LEU 37 HD13 LEU 37 2.654 -2.641 -0.584 287 HD21 LEU 37 HD21 LEU 37 -0.272 -4.415 -1.965 288 HD22 LEU 37 HD22 LEU 37 0.428 -6.030 -1.923 289 HD23 LEU 37 HD23 LEU 37 0.960 -4.871 -3.148 290 H SER 38 H SER 38 4.604 -7.277 -3.283 291 HA SER 38 HA SER 38 6.668 -8.741 -2.022 292 HB2 SER 38 HB2 SER 38 6.822 -7.050 -4.549 293 HB3 SER 38 HB3 SER 38 7.932 -8.343 -4.092 294 HG SER 38 HG SER 38 6.170 -8.846 -5.621 295 H HIS 39 H HIS 39 8.849 -8.039 -1.535 296 HA HIS 39 HA HIS 39 9.033 -6.058 0.346 297 HB2 HIS 39 HB2 HIS 39 10.662 -7.844 0.226 298 HB3 HIS 39 HB3 HIS 39 11.199 -7.325 -1.365 299 HD1 HIS 39 HD1 HIS 39 11.678 -6.682 2.273 300 HD2 HIS 39 HD2 HIS 39 12.980 -5.082 -1.349 301 HE1 HIS 39 HE1 HIS 39 13.616 -5.189 2.845 302 HE2 HIS 39 HE2 HIS 39 14.519 -4.435 0.621 303 H GLU 40 H GLU 40 10.082 -5.792 -3.076 304 HA GLU 40 HA GLU 40 11.035 -3.102 -2.774 305 HB2 GLU 40 HB2 GLU 40 12.003 -4.742 -4.414 306 HB3 GLU 40 HB3 GLU 40 10.517 -4.629 -5.360 307 HG2 GLU 40 HG2 GLU 40 10.949 -2.135 -5.555 308 HG3 GLU 40 HG3 GLU 40 12.510 -2.401 -4.802 309 H GLN 41 H GLN 41 8.003 -4.577 -3.981 310 HA GLN 41 HA GLN 41 6.816 -2.284 -5.120 311 HB2 GLN 41 HB2 GLN 41 5.463 -4.628 -3.705 312 HB3 GLN 41 HB3 GLN 41 4.593 -3.377 -4.591 313 HG2 GLN 41 HG2 GLN 41 5.874 -4.064 -6.648 314 HG3 GLN 41 HG3 GLN 41 6.515 -5.421 -5.719 315 HE21 GLN 41 HE21 GLN 41 3.666 -4.072 -7.231 316 HE22 GLN 41 HE22 GLN 41 2.707 -5.506 -7.145 317 H LYS 42 H LYS 42 6.875 -3.505 -1.792 318 HA LYS 42 HA LYS 42 5.257 -1.628 -0.526 319 HB2 LYS 42 HB2 LYS 42 7.692 -3.158 0.459 320 HB3 LYS 42 HB3 LYS 42 6.770 -2.096 1.520 321 HG2 LYS 42 HG2 LYS 42 4.790 -3.442 1.246 322 HG3 LYS 42 HG3 LYS 42 5.601 -4.484 0.064 323 HD2 LYS 42 HD2 LYS 42 7.097 -5.355 1.742 324 HD3 LYS 42 HD3 LYS 42 6.600 -4.134 2.918 325 HE2 LYS 42 HE2 LYS 42 4.314 -5.157 2.908 326 HE3 LYS 42 HE3 LYS 42 4.938 -6.446 1.880 327 HZ1 LYS 42 HZ1 LYS 42 4.904 -7.001 4.267 328 HZ2 LYS 42 HZ2 LYS 42 6.020 -5.769 4.564 329 HZ3 LYS 42 HZ3 LYS 42 6.453 -7.091 3.604 330 H ASN 43 H ASN 43 8.777 -1.641 -0.981 331 HA ASN 43 HA ASN 43 9.345 0.774 0.321 332 HB2 ASN 43 HB2 ASN 43 10.918 -0.639 -1.904 333 HB3 ASN 43 HB3 ASN 43 11.562 0.633 -0.865 334 HD21 ASN 43 HD21 ASN 43 12.379 -2.197 -1.237 335 HD22 ASN 43 HD22 ASN 43 12.382 -2.871 0.355 336 H GLU 44 H GLU 44 8.386 0.097 -2.999 337 HA GLU 44 HA GLU 44 9.097 2.570 -4.196 338 HB2 GLU 44 HB2 GLU 44 8.752 0.511 -5.488 339 HB3 GLU 44 HB3 GLU 44 7.066 0.438 -5.004 340 HG2 GLU 44 HG2 GLU 44 7.957 2.902 -6.478 341 HG3 GLU 44 HG3 GLU 44 7.882 1.409 -7.401 342 H PHE 45 H PHE 45 5.910 1.268 -3.138 343 HA PHE 45 HA PHE 45 4.429 3.623 -3.588 344 HB2 PHE 45 HB2 PHE 45 3.905 1.173 -1.864 345 HB3 PHE 45 HB3 PHE 45 2.773 2.520 -1.873 346 HD1 PHE 45 HD1 PHE 45 1.966 3.319 -4.255 347 HD2 PHE 45 HD2 PHE 45 3.562 -0.576 -3.450 348 HE1 PHE 45 HE1 PHE 45 0.859 2.441 -6.264 349 HE2 PHE 45 HE2 PHE 45 2.449 -1.441 -5.473 350 HZ PHE 45 HZ PHE 45 1.100 0.072 -6.875 351 H LYS 46 H LYS 46 6.133 2.458 -0.732 352 HA LYS 46 HA LYS 46 5.169 4.351 1.136 353 HB2 LYS 46 HB2 LYS 46 7.635 2.572 1.106 354 HB3 LYS 46 HB3 LYS 46 7.204 3.585 2.484 355 HG2 LYS 46 HG2 LYS 46 5.158 2.385 2.853 356 HG3 LYS 46 HG3 LYS 46 5.300 1.539 1.316 357 HD2 LYS 46 HD2 LYS 46 5.818 0.005 3.116 358 HD3 LYS 46 HD3 LYS 46 7.285 0.317 2.188 359 HE2 LYS 46 HE2 LYS 46 6.655 1.800 4.738 360 HE3 LYS 46 HE3 LYS 46 7.485 0.250 4.743 361 HZ1 LYS 46 HZ1 LYS 46 8.429 2.755 3.449 362 HZ2 LYS 46 HZ2 LYS 46 9.212 1.260 3.347 363 HZ3 LYS 46 HZ3 LYS 46 9.062 2.034 4.836 364 H THR 47 H THR 47 8.029 4.368 -0.997 365 HA THR 47 HA THR 47 9.170 6.797 -0.056 366 HB THR 47 HB THR 47 9.396 5.433 -2.774 367 HG1 THR 47 HG1 THR 47 10.215 4.471 -0.653 368 HG21 THR 47 HG21 THR 47 11.138 7.648 -1.615 369 HG22 THR 47 HG22 THR 47 10.029 7.829 -2.978 370 HG23 THR 47 HG23 THR 47 11.447 6.783 -3.117 371 H LYS 48 H LYS 48 6.785 6.025 -2.596 372 HA LYS 48 HA LYS 48 6.401 8.584 -3.690 373 HB2 LYS 48 HB2 LYS 48 4.326 6.375 -3.331 374 HB3 LYS 48 HB3 LYS 48 4.149 7.772 -4.387 375 HG2 LYS 48 HG2 LYS 48 6.239 5.605 -4.694 376 HG3 LYS 48 HG3 LYS 48 4.731 5.705 -5.603 377 HD2 LYS 48 HD2 LYS 48 5.484 7.896 -6.544 378 HD3 LYS 48 HD3 LYS 48 7.023 7.715 -5.687 379 HE2 LYS 48 HE2 LYS 48 7.214 7.036 -8.056 380 HE3 LYS 48 HE3 LYS 48 7.506 5.667 -6.980 381 HZ1 LYS 48 HZ1 LYS 48 5.289 4.861 -7.410 382 HZ2 LYS 48 HZ2 LYS 48 6.067 5.119 -8.888 383 HZ3 LYS 48 HZ3 LYS 48 4.912 6.222 -8.336 384 H ILE 49 H ILE 49 4.963 6.999 -0.872 385 HA ILE 49 HA ILE 49 3.045 8.952 -0.209 386 HB ILE 49 HB ILE 49 4.403 6.826 1.508 387 HG12 ILE 49 HG12 ILE 49 1.557 6.833 0.399 388 HG13 ILE 49 HG13 ILE 49 2.905 6.134 -0.481 389 HG21 ILE 49 HG21 ILE 49 3.553 8.635 2.973 390 HG22 ILE 49 HG22 ILE 49 2.633 7.139 3.177 391 HG23 ILE 49 HG23 ILE 49 1.954 8.467 2.233 392 HD11 ILE 49 HD11 ILE 49 1.929 5.224 2.225 393 HD12 ILE 49 HD12 ILE 49 3.254 4.514 1.302 394 HD13 ILE 49 HD13 ILE 49 1.608 4.441 0.677 395 H ASP 50 H ASP 50 6.489 8.657 0.634 396 HA ASP 50 HA ASP 50 6.453 10.776 2.596 397 HB2 ASP 50 HB2 ASP 50 8.776 9.389 1.186 398 HB3 ASP 50 HB3 ASP 50 8.985 10.588 2.462 399 H GLU 51 H GLU 51 7.381 10.564 -0.835 400 HA GLU 51 HA GLU 51 8.436 13.246 -0.966 401 HB2 GLU 51 HB2 GLU 51 7.644 11.381 -3.252 402 HB3 GLU 51 HB3 GLU 51 8.630 12.833 -3.398 403 HG2 GLU 51 HG2 GLU 51 9.388 10.315 -1.887 404 HG3 GLU 51 HG3 GLU 51 9.991 10.781 -3.471 405 H THR 52 H THR 52 5.328 11.742 -1.479 406 HA THR 52 HA THR 52 4.160 14.116 -2.729 407 HB THR 52 HB THR 52 2.872 11.440 -2.020 408 HG1 THR 52 HG1 THR 52 4.408 11.251 -3.666 409 HG21 THR 52 HG21 THR 52 1.199 13.275 -2.158 410 HG22 THR 52 HG22 THR 52 1.032 12.123 -3.483 411 HG23 THR 52 HG23 THR 52 1.804 13.683 -3.770 412 H ASN 53 H ASN 53 3.643 15.696 -1.396 413 HA ASN 53 HA ASN 53 2.269 15.139 1.174 414 HB2 ASN 53 HB2 ASN 53 3.584 17.713 0.188 415 HB3 ASN 53 HB3 ASN 53 2.764 17.516 1.737 416 HD21 ASN 53 HD21 ASN 53 5.585 16.580 -0.138 417 HD22 ASN 53 HD22 ASN 53 6.527 16.038 1.205 418 H ASP 54 H ASP 54 1.456 15.324 -1.872 419 HA ASP 54 HA ASP 54 -0.907 17.033 -1.638 420 HB2 ASP 54 HB2 ASP 54 0.307 16.880 -3.813 421 HB3 ASP 54 HB3 ASP 54 -0.009 15.151 -3.874 422 H SER 55 H SER 55 -2.601 16.251 -0.554 423 HA SER 55 HA SER 55 -2.749 13.631 0.457 424 HB2 SER 55 HB2 SER 55 -4.975 14.358 1.356 425 HB3 SER 55 HB3 SER 55 -3.678 15.507 1.686 426 HG SER 55 HG SER 55 -4.519 16.907 0.274 427 H ASP 56 H ASP 56 -4.183 15.074 -2.405 428 HA ASP 56 HA ASP 56 -6.210 13.128 -2.878 429 HB2 ASP 56 HB2 ASP 56 -4.809 14.964 -4.868 430 HB3 ASP 56 HB3 ASP 56 -6.326 14.113 -5.154 431 H ALA 57 H ALA 57 -2.875 13.512 -4.044 432 HA ALA 57 HA ALA 57 -2.849 11.212 -5.727 433 HB1 ALA 57 HB1 ALA 57 -0.399 11.537 -5.775 434 HB2 ALA 57 HB2 ALA 57 -0.541 12.742 -4.489 435 HB3 ALA 57 HB3 ALA 57 -1.272 13.043 -6.065 436 H LEU 58 H LEU 58 -2.043 11.797 -2.315 437 HA LEU 58 HA LEU 58 -0.969 9.259 -1.692 438 HB2 LEU 58 HB2 LEU 58 -2.400 11.306 0.041 439 HB3 LEU 58 HB3 LEU 58 -1.719 9.826 0.699 440 HG LEU 58 HG LEU 58 -0.167 12.104 -0.601 441 HD11 LEU 58 HD11 LEU 58 0.832 12.363 1.644 442 HD12 LEU 58 HD12 LEU 58 -0.237 11.099 2.267 443 HD13 LEU 58 HD13 LEU 58 -0.914 12.615 1.667 444 HD21 LEU 58 HD21 LEU 58 0.860 9.970 -1.199 445 HD22 LEU 58 HD22 LEU 58 0.870 9.472 0.496 446 HD23 LEU 58 HD23 LEU 58 1.860 10.836 -0.033 447 H LEU 59 H LEU 59 -4.320 10.452 -1.762 448 HA LEU 59 HA LEU 59 -5.664 8.212 -0.742 449 HB2 LEU 59 HB2 LEU 59 -6.528 10.214 -2.869 450 HB3 LEU 59 HB3 LEU 59 -7.610 8.995 -2.216 451 HG LEU 59 HG LEU 59 -6.305 11.185 -0.551 452 HD11 LEU 59 HD11 LEU 59 -7.856 12.167 -2.169 453 HD12 LEU 59 HD12 LEU 59 -8.497 12.284 -0.532 454 HD13 LEU 59 HD13 LEU 59 -9.135 11.066 -1.643 455 HD21 LEU 59 HD21 LEU 59 -7.935 10.528 1.179 456 HD22 LEU 59 HD22 LEU 59 -6.846 9.204 0.775 457 HD23 LEU 59 HD23 LEU 59 -8.501 9.205 0.153 458 H GLU 60 H GLU 60 -4.582 8.965 -4.070 459 HA GLU 60 HA GLU 60 -5.733 6.681 -5.306 460 HB2 GLU 60 HB2 GLU 60 -5.143 8.703 -6.583 461 HB3 GLU 60 HB3 GLU 60 -3.431 8.430 -6.262 462 HG2 GLU 60 HG2 GLU 60 -3.489 6.340 -7.554 463 HG3 GLU 60 HG3 GLU 60 -5.224 6.515 -7.803 464 H LEU 61 H LEU 61 -2.402 7.366 -4.200 465 HA LEU 61 HA LEU 61 -1.146 4.947 -4.834 466 HB2 LEU 61 HB2 LEU 61 -0.660 6.786 -2.448 467 HB3 LEU 61 HB3 LEU 61 0.448 5.521 -2.962 468 HG LEU 61 HG LEU 61 -0.296 7.919 -4.690 469 HD11 LEU 61 HD11 LEU 61 0.864 8.704 -2.689 470 HD12 LEU 61 HD12 LEU 61 1.892 8.869 -4.109 471 HD13 LEU 61 HD13 LEU 61 2.175 7.553 -2.966 472 HD21 LEU 61 HD21 LEU 61 1.914 5.862 -5.005 473 HD22 LEU 61 HD22 LEU 61 1.656 7.275 -6.034 474 HD23 LEU 61 HD23 LEU 61 0.452 5.990 -5.991 475 H GLU 62 H GLU 62 -3.126 5.872 -2.095 476 HA GLU 62 HA GLU 62 -2.811 3.584 -0.476 477 HB2 GLU 62 HB2 GLU 62 -3.576 5.758 0.354 478 HB3 GLU 62 HB3 GLU 62 -5.041 5.649 -0.604 479 HG2 GLU 62 HG2 GLU 62 -4.453 3.551 1.468 480 HG3 GLU 62 HG3 GLU 62 -5.052 5.123 1.978 481 H ASN 63 H ASN 63 -5.272 4.452 -2.916 482 HA ASN 63 HA ASN 63 -6.749 2.020 -2.721 483 HB2 ASN 63 HB2 ASN 63 -6.636 4.186 -4.856 484 HB3 ASN 63 HB3 ASN 63 -7.612 2.739 -5.074 485 HD21 ASN 63 HD21 ASN 63 -7.426 5.813 -3.530 486 HD22 ASN 63 HD22 ASN 63 -8.950 5.744 -2.724 487 H GLN 64 H GLN 64 -3.868 2.943 -4.499 488 HA GLN 64 HA GLN 64 -3.968 0.921 -6.511 489 HB2 GLN 64 HB2 GLN 64 -1.745 2.772 -5.566 490 HB3 GLN 64 HB3 GLN 64 -1.467 1.559 -6.810 491 HG2 GLN 64 HG2 GLN 64 -3.498 3.801 -6.997 492 HG3 GLN 64 HG3 GLN 64 -1.902 3.807 -7.743 493 HE21 GLN 64 HE21 GLN 64 -4.527 4.013 -9.005 494 HE22 GLN 64 HE22 GLN 64 -4.617 2.714 -10.142 495 H PHE 65 H PHE 65 -2.134 1.175 -3.411 496 HA PHE 65 HA PHE 65 -0.712 -1.268 -3.881 497 HB2 PHE 65 HB2 PHE 65 0.388 -0.942 -1.836 498 HB3 PHE 65 HB3 PHE 65 0.045 0.690 -2.363 499 HD1 PHE 65 HD1 PHE 65 -1.386 2.139 -1.032 500 HD2 PHE 65 HD2 PHE 65 -0.854 -1.948 0.097 501 HE1 PHE 65 HE1 PHE 65 -2.389 2.604 1.167 502 HE2 PHE 65 HE2 PHE 65 -1.865 -1.469 2.279 503 HZ PHE 65 HZ PHE 65 -2.631 0.802 2.814 504 H ASN 66 H ASN 66 -3.685 -0.440 -2.205 505 HA ASN 66 HA ASN 66 -4.202 -3.010 -1.056 506 HB2 ASN 66 HB2 ASN 66 -5.923 -0.553 -1.573 507 HB3 ASN 66 HB3 ASN 66 -6.622 -2.029 -0.915 508 HD21 ASN 66 HD21 ASN 66 -6.040 0.775 0.186 509 HD22 ASN 66 HD22 ASN 66 -5.284 0.458 1.704 510 H GLU 67 H GLU 67 -4.876 -1.539 -4.192 511 HA GLU 67 HA GLU 67 -6.652 -3.566 -5.134 512 HB2 GLU 67 HB2 GLU 67 -6.489 -1.294 -6.164 513 HB3 GLU 67 HB3 GLU 67 -4.879 -1.688 -6.752 514 HG2 GLU 67 HG2 GLU 67 -6.562 -1.900 -8.535 515 HG3 GLU 67 HG3 GLU 67 -5.800 -3.452 -8.190 516 H THR 68 H THR 68 -3.155 -2.973 -5.523 517 HA THR 68 HA THR 68 -2.375 -5.182 -7.021 518 HB THR 68 HB THR 68 -0.802 -3.888 -4.732 519 HG1 THR 68 HG1 THR 68 -1.657 -2.651 -6.800 520 HG21 THR 68 HG21 THR 68 0.217 -6.008 -5.515 521 HG22 THR 68 HG22 THR 68 1.212 -4.622 -5.952 522 HG23 THR 68 HG23 THR 68 0.208 -5.396 -7.179 523 H ASN 69 H ASN 69 -2.640 -4.761 -3.528 524 HA ASN 69 HA ASN 69 -1.798 -7.238 -2.609 525 HB2 ASN 69 HB2 ASN 69 -2.006 -5.337 -1.118 526 HB3 ASN 69 HB3 ASN 69 -3.735 -5.211 -1.424 527 HD21 ASN 69 HD21 ASN 69 -1.282 -7.373 -0.077 528 HD22 ASN 69 HD22 ASN 69 -2.318 -8.068 1.122 529 H ARG 70 H ARG 70 -5.056 -6.124 -3.519 530 HA ARG 70 HA ARG 70 -6.511 -8.357 -2.595 531 HB2 ARG 70 HB2 ARG 70 -7.437 -6.062 -3.258 532 HB3 ARG 70 HB3 ARG 70 -7.277 -6.561 -4.938 533 HG2 ARG 70 HG2 ARG 70 -9.580 -6.857 -4.196 534 HG3 ARG 70 HG3 ARG 70 -8.854 -8.435 -4.520 535 HD2 ARG 70 HD2 ARG 70 -8.503 -8.796 -2.117 536 HD3 ARG 70 HD3 ARG 70 -9.128 -7.181 -1.760 537 HE ARG 70 HE ARG 70 -10.993 -8.825 -3.199 538 HH11 ARG 70 HH11 ARG 70 -9.789 -8.101 0.033 539 HH12 ARG 70 HH12 ARG 70 -11.225 -8.649 0.823 540 HH21 ARG 70 HH21 ARG 70 -12.874 -9.567 -2.139 541 HH22 ARG 70 HH22 ARG 70 -12.976 -9.483 -0.406 542 H LEU 71 H LEU 71 -5.106 -7.570 -5.759 543 HA LEU 71 HA LEU 71 -6.028 -9.872 -7.153 544 HB2 LEU 71 HB2 LEU 71 -3.676 -8.050 -7.807 545 HB3 LEU 71 HB3 LEU 71 -4.468 -9.151 -8.926 546 HG LEU 71 HG LEU 71 -5.755 -6.692 -7.660 547 HD11 LEU 71 HD11 LEU 71 -4.095 -6.061 -9.328 548 HD12 LEU 71 HD12 LEU 71 -5.721 -5.714 -9.905 549 HD13 LEU 71 HD13 LEU 71 -4.850 -7.123 -10.520 550 HD21 LEU 71 HD21 LEU 71 -7.655 -7.109 -9.154 551 HD22 LEU 71 HD22 LEU 71 -7.415 -8.437 -8.021 552 HD23 LEU 71 HD23 LEU 71 -6.905 -8.610 -9.703 553 H LEU 72 H LEU 72 -3.232 -9.240 -5.136 554 HA LEU 72 HA LEU 72 -1.713 -11.580 -5.748 555 HB2 LEU 72 HB2 LEU 72 -1.793 -9.897 -3.215 556 HB3 LEU 72 HB3 LEU 72 -0.608 -11.153 -3.527 557 HG LEU 72 HG LEU 72 -0.901 -8.627 -5.194 558 HD11 LEU 72 HD11 LEU 72 1.093 -7.806 -4.064 559 HD12 LEU 72 HD12 LEU 72 1.156 -9.256 -3.056 560 HD13 LEU 72 HD13 LEU 72 -0.187 -8.123 -2.891 561 HD21 LEU 72 HD21 LEU 72 1.260 -9.267 -6.163 562 HD22 LEU 72 HD22 LEU 72 0.041 -10.505 -6.460 563 HD23 LEU 72 HD23 LEU 72 1.263 -10.755 -5.210 564 H HIS 73 H HIS 73 -4.340 -10.875 -3.451 565 HA HIS 73 HA HIS 73 -4.207 -13.396 -2.084 566 HB2 HIS 73 HB2 HIS 73 -6.466 -11.358 -2.212 567 HB3 HIS 73 HB3 HIS 73 -6.496 -12.792 -1.196 568 HD1 HIS 73 HD1 HIS 73 -4.274 -12.853 0.560 569 HD2 HIS 73 HD2 HIS 73 -5.598 -9.185 -0.872 570 HE1 HIS 73 HE1 HIS 73 -3.339 -11.107 2.121 571 HE2 HIS 73 HE2 HIS 73 -4.433 -8.975 1.403 572 H ILE 74 H ILE 74 -5.955 -12.181 -4.889 573 HA ILE 74 HA ILE 74 -7.690 -14.424 -5.280 574 HB ILE 74 HB ILE 74 -6.689 -12.331 -7.283 575 HG12 ILE 74 HG12 ILE 74 -9.322 -12.351 -5.729 576 HG13 ILE 74 HG13 ILE 74 -7.911 -11.422 -5.250 577 HG21 ILE 74 HG21 ILE 74 -9.101 -14.173 -7.511 578 HG22 ILE 74 HG22 ILE 74 -7.613 -14.299 -8.453 579 HG23 ILE 74 HG23 ILE 74 -8.664 -12.896 -8.650 580 HD11 ILE 74 HD11 ILE 74 -9.497 -11.054 -7.789 581 HD12 ILE 74 HD12 ILE 74 -8.047 -10.149 -7.343 582 HD13 ILE 74 HD13 ILE 74 -9.506 -10.014 -6.364 583 H LYS 75 H LYS 75 -4.466 -13.522 -6.368 584 HA LYS 75 HA LYS 75 -3.899 -15.538 -8.238 585 HB2 LYS 75 HB2 LYS 75 -2.605 -13.452 -7.969 586 HB3 LYS 75 HB3 LYS 75 -2.046 -13.981 -6.388 587 HG2 LYS 75 HG2 LYS 75 -0.812 -15.851 -7.470 588 HG3 LYS 75 HG3 LYS 75 -1.345 -15.276 -9.051 589 HD2 LYS 75 HD2 LYS 75 0.411 -13.760 -7.082 590 HD3 LYS 75 HD3 LYS 75 0.949 -14.542 -8.569 591 HE2 LYS 75 HE2 LYS 75 -0.929 -12.157 -8.374 592 HE3 LYS 75 HE3 LYS 75 0.750 -12.133 -8.907 593 HZ1 LYS 75 HZ1 LYS 75 -0.722 -12.094 -10.801 594 HZ2 LYS 75 HZ2 LYS 75 -1.502 -13.502 -10.293 595 HZ3 LYS 75 HZ3 LYS 75 0.115 -13.563 -10.783 596 H GLN 76 H GLN 76 -3.197 -15.379 -4.737 597 HA GLN 76 HA GLN 76 -1.975 -17.981 -4.617 598 HB2 GLN 76 HB2 GLN 76 -1.780 -17.594 -2.222 599 HB3 GLN 76 HB3 GLN 76 -1.331 -16.135 -3.094 600 HG2 GLN 76 HG2 GLN 76 -3.676 -15.271 -2.636 601 HG3 GLN 76 HG3 GLN 76 -3.882 -16.638 -1.541 602 HE21 GLN 76 HE21 GLN 76 -0.830 -14.914 -1.901 603 HE22 GLN 76 HE22 GLN 76 -0.857 -14.186 -0.340 604 H HIS 77 H HIS 77 -5.212 -16.702 -4.179 605 HA HIS 77 HA HIS 77 -6.453 -18.740 -2.717 606 HB2 HIS 77 HB2 HIS 77 -7.643 -16.662 -3.152 607 HB3 HIS 77 HB3 HIS 77 -7.575 -16.917 -4.894 608 HD1 HIS 77 HD1 HIS 77 -9.294 -18.257 -1.786 609 HD2 HIS 77 HD2 HIS 77 -9.711 -18.395 -5.920 610 HE1 HIS 77 HE1 HIS 77 -11.515 -19.344 -2.210 611 HE2 HIS 77 HE2 HIS 77 -11.692 -19.509 -4.707 612 H GLU 78 H GLU 78 -5.883 -18.406 -6.187 613 HA GLU 78 HA GLU 78 -7.272 -20.677 -7.108 614 HB2 GLU 78 HB2 GLU 78 -4.863 -19.229 -8.270 615 HB3 GLU 78 HB3 GLU 78 -5.848 -20.396 -9.151 616 HG2 GLU 78 HG2 GLU 78 -7.793 -18.940 -9.024 617 HG3 GLU 78 HG3 GLU 78 -6.931 -17.819 -7.971 618 H GLU 79 H GLU 79 -4.032 -20.259 -5.824 619 HA GLU 79 HA GLU 79 -3.100 -22.919 -6.385 620 HB2 GLU 79 HB2 GLU 79 -1.969 -20.913 -4.387 621 HB3 GLU 79 HB3 GLU 79 -1.139 -22.299 -5.092 622 HG2 GLU 79 HG2 GLU 79 -1.285 -21.221 -7.341 623 HG3 GLU 79 HG3 GLU 79 -2.055 -19.818 -6.593 624 H VAL 80 H VAL 80 -4.701 -21.296 -3.676 625 HA VAL 80 HA VAL 80 -4.462 -23.389 -1.759 626 HB VAL 80 HB VAL 80 -6.561 -21.169 -1.978 627 HG11 VAL 80 HG11 VAL 80 -7.419 -22.990 -0.561 628 HG12 VAL 80 HG12 VAL 80 -7.037 -21.569 0.415 629 HG13 VAL 80 HG13 VAL 80 -5.941 -22.954 0.407 630 HG21 VAL 80 HG21 VAL 80 -4.046 -21.307 -0.265 631 HG22 VAL 80 HG22 VAL 80 -5.231 -19.997 -0.254 632 HG23 VAL 80 HG23 VAL 80 -4.265 -20.301 -1.696 633 H GLU 81 H GLU 81 -6.833 -22.644 -4.298 634 HA GLU 81 HA GLU 81 -8.653 -24.750 -3.712 635 HB2 GLU 81 HB2 GLU 81 -8.200 -23.393 -6.405 636 HB3 GLU 81 HB3 GLU 81 -9.614 -24.330 -5.933 637 HG2 GLU 81 HG2 GLU 81 -8.755 -21.647 -4.828 638 HG3 GLU 81 HG3 GLU 81 -10.137 -21.965 -5.860 639 H LYS 82 H LYS 82 -5.925 -24.427 -5.934 640 HA LYS 82 HA LYS 82 -6.034 -26.930 -7.174 641 HB2 LYS 82 HB2 LYS 82 -4.761 -25.198 -8.191 642 HB3 LYS 82 HB3 LYS 82 -3.820 -24.895 -6.746 643 HG2 LYS 82 HG2 LYS 82 -3.519 -27.583 -8.056 644 HG3 LYS 82 HG3 LYS 82 -2.818 -26.190 -8.880 645 HD2 LYS 82 HD2 LYS 82 -1.404 -25.682 -6.977 646 HD3 LYS 82 HD3 LYS 82 -2.229 -26.871 -5.970 647 HE2 LYS 82 HE2 LYS 82 -1.357 -28.677 -7.448 648 HE3 LYS 82 HE3 LYS 82 -0.477 -27.460 -8.375 649 HZ1 LYS 82 HZ1 LYS 82 -0.093 -28.038 -5.486 650 HZ2 LYS 82 HZ2 LYS 82 0.749 -26.876 -6.381 651 HZ3 LYS 82 HZ3 LYS 82 0.937 -28.515 -6.736 652 H ASP 83 H ASP 83 -4.289 -25.925 -4.223 653 HA ASP 83 HA ASP 83 -2.934 -28.458 -3.963 654 HB2 ASP 83 HB2 ASP 83 -3.012 -25.957 -2.263 655 HB3 ASP 83 HB3 ASP 83 -2.247 -27.419 -1.655 656 H LYS 84 H LYS 84 -5.771 -26.965 -2.378 657 HA LYS 84 HA LYS 84 -6.158 -29.036 -0.457 658 HB2 LYS 84 HB2 LYS 84 -7.865 -26.793 -1.500 659 HB3 LYS 84 HB3 LYS 84 -8.730 -28.155 -0.806 660 HG2 LYS 84 HG2 LYS 84 -8.391 -26.388 0.848 661 HG3 LYS 84 HG3 LYS 84 -7.562 -27.876 1.317 662 HD2 LYS 84 HD2 LYS 84 -5.411 -26.923 0.533 663 HD3 LYS 84 HD3 LYS 84 -6.242 -25.443 0.044 664 HE2 LYS 84 HE2 LYS 84 -6.840 -24.989 2.382 665 HE3 LYS 84 HE3 LYS 84 -6.082 -26.506 2.878 666 HZ1 LYS 84 HZ1 LYS 84 -3.963 -25.642 2.042 667 HZ2 LYS 84 HZ2 LYS 84 -4.593 -24.690 3.282 668 HZ3 LYS 84 HZ3 LYS 84 -4.702 -24.169 1.678 669 H LYS 85 H LYS 85 -7.509 -28.519 -3.740 670 HA LYS 85 HA LYS 85 -8.953 -30.974 -3.828 671 HB2 LYS 85 HB2 LYS 85 -7.945 -29.213 -6.088 672 HB3 LYS 85 HB3 LYS 85 -9.007 -30.602 -6.310 673 HG2 LYS 85 HG2 LYS 85 -10.705 -29.477 -4.837 674 HG3 LYS 85 HG3 LYS 85 -9.659 -28.054 -4.783 675 HD2 LYS 85 HD2 LYS 85 -11.449 -27.789 -6.472 676 HD3 LYS 85 HD3 LYS 85 -9.855 -27.804 -7.236 677 HE2 LYS 85 HE2 LYS 85 -10.160 -30.136 -7.893 678 HE3 LYS 85 HE3 LYS 85 -11.692 -30.209 -7.027 679 HZ1 LYS 85 HZ1 LYS 85 -11.138 -28.505 -9.390 680 HZ2 LYS 85 HZ2 LYS 85 -12.606 -28.620 -8.561 681 HZ3 LYS 85 HZ3 LYS 85 -12.002 -29.959 -9.385 682 H ALA 86 H ALA 86 -6.251 -30.269 -6.065 683 HA ALA 86 HA ALA 86 -4.555 -31.498 -6.893 684 HB1 ALA 86 HB1 ALA 86 -2.893 -32.143 -5.214 685 HB2 ALA 86 HB2 ALA 86 -4.114 -32.034 -3.944 686 HB3 ALA 86 HB3 ALA 86 -3.624 -30.589 -4.823 687 H LYS 87 H LYS 87 -7.019 -32.963 -6.871 688 HA LYS 87 HA LYS 87 -7.978 -34.971 -7.107 689 HB2 LYS 87 HB2 LYS 87 -5.121 -35.938 -7.505 690 HB3 LYS 87 HB3 LYS 87 -6.562 -36.871 -7.903 691 HG2 LYS 87 HG2 LYS 87 -7.180 -35.339 -9.647 692 HG3 LYS 87 HG3 LYS 87 -5.953 -34.171 -9.143 693 HD2 LYS 87 HD2 LYS 87 -4.173 -35.787 -9.789 694 HD3 LYS 87 HD3 LYS 87 -5.409 -36.927 -10.339 695 HE2 LYS 87 HE2 LYS 87 -4.401 -35.647 -12.206 696 HE3 LYS 87 HE3 LYS 87 -6.131 -35.343 -12.064 697 HZ1 LYS 87 HZ1 LYS 87 -4.901 -33.306 -12.460 698 HZ2 LYS 87 HZ2 LYS 87 -3.968 -33.558 -11.078 699 HZ3 LYS 87 HZ3 LYS 87 -5.621 -33.257 -10.932 700 H GLN 88 H GLN 88 -8.786 -34.995 -4.973 701 HA GLN 88 HA GLN 88 -9.468 -36.150 -3.148 702 HB2 GLN 88 HB2 GLN 88 -9.009 -38.112 -4.680 703 HB3 GLN 88 HB3 GLN 88 -7.417 -38.261 -3.956 704 HG2 GLN 88 HG2 GLN 88 -8.493 -38.760 -1.771 705 HG3 GLN 88 HG3 GLN 88 -10.072 -38.651 -2.543 706 HE21 GLN 88 HE21 GLN 88 -7.213 -40.159 -4.019 707 HE22 GLN 88 HE22 GLN 88 -7.840 -41.766 -3.981 708 H GLN 89 H GLN 89 -6.863 -34.402 -3.131 709 HA GLN 89 HA GLN 89 -5.127 -35.365 -1.085 710 HB2 GLN 89 HB2 GLN 89 -4.477 -33.687 -2.804 711 HB3 GLN 89 HB3 GLN 89 -5.558 -32.513 -2.070 712 HG2 GLN 89 HG2 GLN 89 -3.264 -32.038 -1.438 713 HG3 GLN 89 HG3 GLN 89 -4.175 -32.534 -0.015 714 HE21 GLN 89 HE21 GLN 89 -1.760 -33.526 -2.358 715 HE22 GLN 89 HE22 GLN 89 -1.062 -34.777 -1.394 716 H LYS 90 H LYS 90 -7.681 -32.863 -1.020 717 HA LYS 90 HA LYS 90 -7.733 -32.242 1.711 718 HB2 LYS 90 HB2 LYS 90 -8.927 -30.811 0.226 719 HB3 LYS 90 HB3 LYS 90 -9.768 -32.148 -0.531 720 HG2 LYS 90 HG2 LYS 90 -11.122 -32.408 1.591 721 HG3 LYS 90 HG3 LYS 90 -10.365 -30.923 2.180 722 HD2 LYS 90 HD2 LYS 90 -11.332 -29.626 0.376 723 HD3 LYS 90 HD3 LYS 90 -11.879 -31.084 -0.456 724 HE2 LYS 90 HE2 LYS 90 -13.757 -29.943 0.624 725 HE3 LYS 90 HE3 LYS 90 -13.488 -31.520 1.366 726 HZ1 LYS 90 HZ1 LYS 90 -12.627 -28.898 2.465 727 HZ2 LYS 90 HZ2 LYS 90 -12.318 -30.396 3.176 728 HZ3 LYS 90 HZ3 LYS 90 -13.907 -29.843 3.036 729 H THR 91 H THR 91 -9.376 -34.788 -0.125 730 HA THR 91 HA THR 91 -10.531 -36.665 0.386 731 HB THR 91 HB THR 91 -9.366 -36.642 3.207 732 HG1 THR 91 HG1 THR 91 -7.878 -36.310 1.109 733 HG21 THR 91 HG21 THR 91 -9.857 -38.931 1.256 734 HG22 THR 91 HG22 THR 91 -10.878 -38.531 2.641 735 HG23 THR 91 HG23 THR 91 -9.223 -39.081 2.899 736 H LEU 92 H LEU 92 -12.149 -37.585 2.345 737 HA LEU 92 HA LEU 92 -13.981 -37.367 3.633 738 HB2 LEU 92 HB2 LEU 92 -12.282 -36.043 5.053 739 HB3 LEU 92 HB3 LEU 92 -13.011 -34.587 4.416 740 HG LEU 92 HG LEU 92 -13.736 -35.257 6.759 741 HD11 LEU 92 HD11 LEU 92 -16.104 -34.722 6.519 742 HD12 LEU 92 HD12 LEU 92 -16.009 -35.006 4.778 743 HD13 LEU 92 HD13 LEU 92 -15.099 -33.685 5.508 744 HD21 LEU 92 HD21 LEU 92 -15.252 -37.482 5.369 745 HD22 LEU 92 HD22 LEU 92 -15.349 -37.047 7.078 746 HD23 LEU 92 HD23 LEU 92 -13.846 -37.684 6.416 747 H LYS 93 H LYS 93 -15.268 -37.414 1.768 748 HA LYS 93 HA LYS 93 -17.095 -36.849 0.581 749 HB2 LYS 93 HB2 LYS 93 -17.836 -35.644 2.637 750 HB3 LYS 93 HB3 LYS 93 -17.026 -34.192 2.076 751 HG2 LYS 93 HG2 LYS 93 -18.595 -34.021 0.189 752 HG3 LYS 93 HG3 LYS 93 -19.378 -35.524 0.684 753 HD2 LYS 93 HD2 LYS 93 -20.287 -34.520 2.666 754 HD3 LYS 93 HD3 LYS 93 -19.239 -33.104 2.526 755 HE2 LYS 93 HE2 LYS 93 -21.486 -33.819 0.608 756 HE3 LYS 93 HE3 LYS 93 -21.570 -32.597 1.877 757 HZ1 LYS 93 HZ1 LYS 93 -19.732 -32.551 -0.462 758 HZ2 LYS 93 HZ2 LYS 93 -19.771 -31.392 0.766 759 HZ3 LYS 93 HZ3 LYS 93 -21.104 -31.585 -0.254 760 H GLN 94 H GLN 94 -14.111 -35.335 0.183 761 HA GLN 94 HA GLN 94 -14.696 -33.560 -1.984 762 HB2 GLN 94 HB2 GLN 94 -12.515 -33.507 -0.681 763 HB3 GLN 94 HB3 GLN 94 -12.049 -35.002 -1.485 764 HG2 GLN 94 HG2 GLN 94 -12.537 -33.585 -3.700 765 HG3 GLN 94 HG3 GLN 94 -12.277 -32.216 -2.626 766 HE21 GLN 94 HE21 GLN 94 -10.716 -33.003 -4.927 767 HE22 GLN 94 HE22 GLN 94 -9.110 -33.273 -4.350 768 H SER 95 H SER 95 -16.103 -34.703 -3.304 769 HA SER 95 HA SER 95 -15.411 -37.186 -4.577 770 HB2 SER 95 HB2 SER 95 -17.765 -36.625 -4.152 771 HB3 SER 95 HB3 SER 95 -17.625 -35.175 -5.141 772 HG SER 95 HG SER 95 -18.105 -37.733 -5.893 773 H ASP 96 H ASP 96 -16.328 -34.167 -6.245 774 HA ASP 96 HA ASP 96 -15.719 -33.243 -8.209 775 HB2 ASP 96 HB2 ASP 96 -13.928 -32.493 -6.568 776 HB3 ASP 96 HB3 ASP 96 -12.887 -33.765 -7.201 777 H THR 97 H THR 97 -16.034 -36.198 -8.213 778 HA THR 97 HA THR 97 -14.069 -37.279 -10.049 779 HB THR 97 HB THR 97 -15.615 -39.346 -9.922 780 HG1 THR 97 HG1 THR 97 -16.717 -38.142 -7.619 781 HG21 THR 97 HG21 THR 97 -14.446 -38.297 -7.316 782 HG22 THR 97 HG22 THR 97 -13.551 -39.173 -8.568 783 HG23 THR 97 HG23 THR 97 -14.841 -39.977 -7.671 784 H LYS 98 H LYS 98 -14.464 -35.657 -11.605 785 HA LYS 98 HA LYS 98 -16.789 -35.945 -13.391 786 HB2 LYS 98 HB2 LYS 98 -14.445 -33.983 -13.433 787 HB3 LYS 98 HB3 LYS 98 -15.887 -33.896 -14.445 788 HG2 LYS 98 HG2 LYS 98 -17.276 -33.255 -12.642 789 HG3 LYS 98 HG3 LYS 98 -16.110 -33.792 -11.424 790 HD2 LYS 98 HD2 LYS 98 -14.584 -31.947 -12.080 791 HD3 LYS 98 HD3 LYS 98 -15.747 -31.407 -13.295 792 HE2 LYS 98 HE2 LYS 98 -17.338 -30.790 -11.595 793 HE3 LYS 98 HE3 LYS 98 -16.381 -31.569 -10.333 794 HZ1 LYS 98 HZ1 LYS 98 -15.527 -29.192 -11.901 795 HZ2 LYS 98 HZ2 LYS 98 -14.656 -29.932 -10.655 796 HZ3 LYS 98 HZ3 LYS 98 -16.125 -29.165 -10.318 797 H VAL 99 H VAL 99 -13.807 -37.275 -12.874 798 HA VAL 99 HA VAL 99 -13.164 -37.808 -15.708 799 HB VAL 99 HB VAL 99 -10.801 -38.153 -14.949 800 HG11 VAL 99 HG11 VAL 99 -11.456 -35.966 -15.849 801 HG12 VAL 99 HG12 VAL 99 -10.234 -35.773 -14.592 802 HG13 VAL 99 HG13 VAL 99 -11.928 -35.415 -14.238 803 HG21 VAL 99 HG21 VAL 99 -10.083 -37.401 -12.689 804 HG22 VAL 99 HG22 VAL 99 -11.194 -38.769 -12.601 805 HG23 VAL 99 HG23 VAL 99 -11.775 -37.141 -12.245 Start of MODEL 20 1 H2 GLY 1 H2 GLY 1 -18.855 15.339 11.425 2 H GLY 1 H1 GLY 1 -18.341 16.926 11.683 3 H3 GLY 1 H3 GLY 1 -18.565 16.354 10.109 4 HA2 GLY 1 HA2 GLY 1 -16.752 14.793 10.374 5 HA3 GLY 1 HA3 GLY 1 -16.228 16.455 10.636 6 H VAL 2 H VAL 2 -14.420 15.447 11.808 7 HA VAL 2 HA VAL 2 -14.805 14.030 14.258 8 HB VAL 2 HB VAL 2 -12.351 14.535 14.678 9 HG11 VAL 2 HG11 VAL 2 -13.014 13.327 11.963 10 HG12 VAL 2 HG12 VAL 2 -13.027 12.483 13.514 11 HG13 VAL 2 HG13 VAL 2 -11.506 13.088 12.855 12 HG21 VAL 2 HG21 VAL 2 -12.474 15.915 11.958 13 HG22 VAL 2 HG22 VAL 2 -10.994 15.531 12.846 14 HG23 VAL 2 HG23 VAL 2 -12.141 16.696 13.507 15 H GLU 3 H GLU 3 -16.128 15.077 15.662 16 HA GLU 3 HA GLU 3 -15.720 17.840 16.440 17 HB2 GLU 3 HB2 GLU 3 -17.582 15.756 17.659 18 HB3 GLU 3 HB3 GLU 3 -17.563 17.478 18.050 19 HG2 GLU 3 HG2 GLU 3 -18.149 17.962 15.643 20 HG3 GLU 3 HG3 GLU 3 -18.330 16.227 15.382 21 H LYS 4 H LYS 4 -13.537 17.624 17.037 22 HA LYS 4 HA LYS 4 -12.950 16.361 19.637 23 HB2 LYS 4 HB2 LYS 4 -11.094 17.548 17.520 24 HB3 LYS 4 HB3 LYS 4 -10.559 16.830 19.044 25 HG2 LYS 4 HG2 LYS 4 -11.580 14.674 18.352 26 HG3 LYS 4 HG3 LYS 4 -12.029 15.397 16.803 27 HD2 LYS 4 HD2 LYS 4 -9.669 15.688 16.214 28 HD3 LYS 4 HD3 LYS 4 -9.159 15.123 17.811 29 HE2 LYS 4 HE2 LYS 4 -10.230 12.913 17.303 30 HE3 LYS 4 HE3 LYS 4 -10.584 13.498 15.675 31 HZ1 LYS 4 HZ1 LYS 4 -7.866 13.228 16.845 32 HZ2 LYS 4 HZ2 LYS 4 -8.231 13.719 15.273 33 HZ3 LYS 4 HZ3 LYS 4 -8.579 12.141 15.761 34 H THR 5 H THR 5 -12.546 19.420 17.848 35 HA THR 5 HA THR 5 -12.387 21.599 18.422 36 HB THR 5 HB THR 5 -13.914 20.925 20.977 37 HG1 THR 5 HG1 THR 5 -15.056 19.906 19.393 38 HG21 THR 5 HG21 THR 5 -14.037 23.361 19.148 39 HG22 THR 5 HG22 THR 5 -13.250 23.314 20.725 40 HG23 THR 5 HG23 THR 5 -15.000 23.121 20.615 41 H ALA 6 H ALA 6 -10.383 19.582 19.444 42 HA ALA 6 HA ALA 6 -9.429 20.281 22.013 43 HB1 ALA 6 HB1 ALA 6 -7.963 18.883 19.746 44 HB2 ALA 6 HB2 ALA 6 -8.990 18.099 20.949 45 HB3 ALA 6 HB3 ALA 6 -7.491 18.883 21.451 46 H GLY 7 H GLY 7 -8.492 21.318 18.733 47 HA2 GLY 7 HA2 GLY 7 -7.888 23.932 19.433 48 HA3 GLY 7 HA3 GLY 7 -6.372 23.038 19.538 49 H GLU 8 H GLU 8 -9.141 23.013 17.226 50 HA GLU 8 HA GLU 8 -7.356 23.094 14.953 51 HB2 GLU 8 HB2 GLU 8 -9.559 21.956 14.746 52 HB3 GLU 8 HB3 GLU 8 -10.379 23.499 15.001 53 HG2 GLU 8 HG2 GLU 8 -9.262 24.385 12.920 54 HG3 GLU 8 HG3 GLU 8 -8.555 22.792 12.663 55 H THR 9 H THR 9 -6.124 24.929 15.212 56 HA THR 9 HA THR 9 -7.400 27.474 14.488 57 HB THR 9 HB THR 9 -5.297 27.551 16.700 58 HG1 THR 9 HG1 THR 9 -8.030 26.887 17.010 59 HG21 THR 9 HG21 THR 9 -6.492 29.628 17.361 60 HG22 THR 9 HG22 THR 9 -7.678 29.349 16.087 61 HG23 THR 9 HG23 THR 9 -6.004 29.707 15.661 62 H SER 10 H SER 10 -4.967 29.033 14.599 63 HA SER 10 HA SER 10 -3.152 29.621 13.431 64 HB2 SER 10 HB2 SER 10 -2.721 26.668 12.838 65 HB3 SER 10 HB3 SER 10 -1.550 27.959 12.529 66 HG SER 10 HG SER 10 -1.462 28.340 14.753 67 H ALA 11 H ALA 11 -2.512 30.099 11.265 68 HA ALA 11 HA ALA 11 -4.315 29.252 9.104 69 HB1 ALA 11 HB1 ALA 11 -4.749 31.585 8.449 70 HB2 ALA 11 HB2 ALA 11 -3.832 32.159 9.848 71 HB3 ALA 11 HB3 ALA 11 -5.337 31.269 10.083 72 H THR 12 H THR 12 -2.646 28.202 8.137 73 HA THR 12 HA THR 12 -0.908 29.806 6.453 74 HB THR 12 HB THR 12 0.555 29.477 8.458 75 HG1 THR 12 HG1 THR 12 1.714 29.599 6.613 76 HG21 THR 12 HG21 THR 12 0.321 26.502 7.867 77 HG22 THR 12 HG22 THR 12 -0.330 27.322 9.287 78 HG23 THR 12 HG23 THR 12 1.415 27.247 9.047 79 H ASP 13 H ASP 13 0.022 28.491 4.712 80 HA ASP 13 HA ASP 13 -1.739 26.272 3.956 81 HB2 ASP 13 HB2 ASP 13 -1.363 28.115 2.334 82 HB3 ASP 13 HB3 ASP 13 0.361 27.761 2.315 83 H THR 14 H THR 14 -1.099 24.177 3.945 84 HA THR 14 HA THR 14 0.081 22.287 4.346 85 HB THR 14 HB THR 14 2.538 23.713 3.225 86 HG1 THR 14 HG1 THR 14 0.745 24.234 1.881 87 HG21 THR 14 HG21 THR 14 3.009 21.554 2.117 88 HG22 THR 14 HG22 THR 14 1.537 20.867 2.810 89 HG23 THR 14 HG23 THR 14 2.874 21.338 3.863 90 H GLY 15 H GLY 15 2.985 22.125 5.249 91 HA2 GLY 15 HA2 GLY 15 4.314 22.381 7.085 92 HA3 GLY 15 HA3 GLY 15 3.612 23.972 7.275 93 H LYS 16 H LYS 16 1.824 24.239 8.699 94 HA LYS 16 HA LYS 16 1.687 22.628 11.026 95 HB2 LYS 16 HB2 LYS 16 1.211 25.082 10.918 96 HB3 LYS 16 HB3 LYS 16 -0.244 24.758 9.997 97 HG2 LYS 16 HG2 LYS 16 0.102 23.644 12.787 98 HG3 LYS 16 HG3 LYS 16 -0.413 25.312 12.537 99 HD2 LYS 16 HD2 LYS 16 -2.396 24.529 11.294 100 HD3 LYS 16 HD3 LYS 16 -1.876 22.851 11.487 101 HE2 LYS 16 HE2 LYS 16 -2.693 24.767 13.692 102 HE3 LYS 16 HE3 LYS 16 -3.595 23.363 13.120 103 HZ1 LYS 16 HZ1 LYS 16 -2.483 22.801 15.138 104 HZ2 LYS 16 HZ2 LYS 16 -0.992 23.341 14.564 105 HZ3 LYS 16 HZ3 LYS 16 -1.708 21.966 13.893 106 H ARG 17 H ARG 17 -0.481 23.001 8.210 107 HA ARG 17 HA ARG 17 -2.424 21.054 8.920 108 HB2 ARG 17 HB2 ARG 17 -2.796 22.825 7.196 109 HB3 ARG 17 HB3 ARG 17 -1.613 22.042 6.146 110 HG2 ARG 17 HG2 ARG 17 -3.090 20.010 6.088 111 HG3 ARG 17 HG3 ARG 17 -4.291 20.899 7.032 112 HD2 ARG 17 HD2 ARG 17 -4.448 22.578 5.218 113 HD3 ARG 17 HD3 ARG 17 -3.255 21.673 4.281 114 HE ARG 17 HE ARG 17 -5.867 20.504 5.050 115 HH11 ARG 17 HH11 ARG 17 -3.508 21.292 2.542 116 HH12 ARG 17 HH12 ARG 17 -4.377 20.451 1.301 117 HH21 ARG 17 HH21 ARG 17 -7.028 19.486 3.381 118 HH22 ARG 17 HH22 ARG 17 -6.372 19.435 1.781 119 H GLU 18 H GLU 18 0.682 20.908 7.323 120 HA GLU 18 HA GLU 18 0.479 18.377 6.116 121 HB2 GLU 18 HB2 GLU 18 2.323 20.424 6.021 122 HB3 GLU 18 HB3 GLU 18 3.218 19.234 6.941 123 HG2 GLU 18 HG2 GLU 18 1.996 18.809 4.209 124 HG3 GLU 18 HG3 GLU 18 3.683 19.193 4.516 125 H LYS 19 H LYS 19 1.216 19.357 9.403 126 HA LYS 19 HA LYS 19 2.497 17.079 10.419 127 HB2 LYS 19 HB2 LYS 19 0.455 18.785 11.904 128 HB3 LYS 19 HB3 LYS 19 1.712 17.787 12.640 129 HG2 LYS 19 HG2 LYS 19 2.212 20.214 10.887 130 HG3 LYS 19 HG3 LYS 19 2.190 20.236 12.655 131 HD2 LYS 19 HD2 LYS 19 4.116 18.655 12.682 132 HD3 LYS 19 HD3 LYS 19 4.128 18.651 10.912 133 HE2 LYS 19 HE2 LYS 19 4.655 21.035 10.880 134 HE3 LYS 19 HE3 LYS 19 4.541 21.111 12.641 135 HZ1 LYS 19 HZ1 LYS 19 6.823 20.982 11.934 136 HZ2 LYS 19 HZ2 LYS 19 6.529 19.546 11.095 137 HZ3 LYS 19 HZ3 LYS 19 6.406 19.582 12.778 138 H GLN 20 H GLN 20 -0.986 17.807 10.178 139 HA GLN 20 HA GLN 20 -1.979 15.375 11.254 140 HB2 GLN 20 HB2 GLN 20 -3.284 17.388 9.379 141 HB3 GLN 20 HB3 GLN 20 -4.151 16.073 10.171 142 HG2 GLN 20 HG2 GLN 20 -3.648 17.044 12.375 143 HG3 GLN 20 HG3 GLN 20 -2.704 18.324 11.610 144 HE21 GLN 20 HE21 GLN 20 -4.053 19.892 12.608 145 HE22 GLN 20 HE22 GLN 20 -5.646 20.217 12.020 146 H LEU 21 H LEU 21 -1.057 16.396 8.053 147 HA LEU 21 HA LEU 21 -2.084 14.163 6.582 148 HB2 LEU 21 HB2 LEU 21 -1.546 16.630 5.866 149 HB3 LEU 21 HB3 LEU 21 0.100 16.067 5.683 150 HG LEU 21 HG LEU 21 -2.234 14.867 4.134 151 HD11 LEU 21 HD11 LEU 21 -1.550 16.266 2.229 152 HD12 LEU 21 HD12 LEU 21 -0.359 17.080 3.253 153 HD13 LEU 21 HD13 LEU 21 -2.085 17.246 3.596 154 HD21 LEU 21 HD21 LEU 21 -0.268 13.427 4.192 155 HD22 LEU 21 HD22 LEU 21 0.758 14.757 3.651 156 HD23 LEU 21 HD23 LEU 21 -0.480 14.099 2.576 157 H GLN 22 H GLN 22 0.966 14.908 8.208 158 HA GLN 22 HA GLN 22 2.571 12.779 7.209 159 HB2 GLN 22 HB2 GLN 22 2.772 14.451 9.742 160 HB3 GLN 22 HB3 GLN 22 3.962 13.218 9.325 161 HG2 GLN 22 HG2 GLN 22 4.604 14.419 7.330 162 HG3 GLN 22 HG3 GLN 22 3.307 15.590 7.556 163 HE21 GLN 22 HE21 GLN 22 6.153 16.092 7.311 164 HE22 GLN 22 HE22 GLN 22 6.620 16.905 8.762 165 H GLN 23 H GLN 23 0.533 13.159 10.079 166 HA GLN 23 HA GLN 23 0.953 10.691 11.318 167 HB2 GLN 23 HB2 GLN 23 -1.475 12.519 11.251 168 HB3 GLN 23 HB3 GLN 23 -1.397 11.093 12.288 169 HG2 GLN 23 HG2 GLN 23 0.441 11.996 13.536 170 HG3 GLN 23 HG3 GLN 23 0.657 13.322 12.401 171 HE21 GLN 23 HE21 GLN 23 -0.661 15.119 12.558 172 HE22 GLN 23 HE22 GLN 23 -1.755 15.382 13.864 173 H TRP 24 H TRP 24 -1.254 11.585 8.699 174 HA TRP 24 HA TRP 24 -2.524 9.103 8.285 175 HB2 TRP 24 HB2 TRP 24 -3.391 11.181 7.319 176 HB3 TRP 24 HB3 TRP 24 -1.923 11.405 6.377 177 HD1 TRP 24 HD1 TRP 24 -3.707 7.999 6.470 178 HE1 TRP 24 HE1 TRP 24 -4.697 7.523 4.141 179 HE3 TRP 24 HE3 TRP 24 -2.757 12.500 4.224 180 HZ2 TRP 24 HZ2 TRP 24 -5.030 8.851 1.686 181 HZ3 TRP 24 HZ3 TRP 24 -3.446 12.821 1.875 182 HH2 TRP 24 HH2 TRP 24 -4.560 11.029 0.634 183 H LYS 25 H LYS 25 0.408 10.560 6.831 184 HA LYS 25 HA LYS 25 1.004 8.500 5.022 185 HB2 LYS 25 HB2 LYS 25 2.696 10.690 6.259 186 HB3 LYS 25 HB3 LYS 25 3.398 9.525 5.131 187 HG2 LYS 25 HG2 LYS 25 1.750 10.182 3.422 188 HG3 LYS 25 HG3 LYS 25 1.061 11.370 4.533 189 HD2 LYS 25 HD2 LYS 25 3.976 11.429 3.654 190 HD3 LYS 25 HD3 LYS 25 2.699 12.251 2.759 191 HE2 LYS 25 HE2 LYS 25 2.190 13.619 4.742 192 HE3 LYS 25 HE3 LYS 25 3.456 12.795 5.647 193 HZ1 LYS 25 HZ1 LYS 25 3.903 14.390 3.181 194 HZ2 LYS 25 HZ2 LYS 25 5.087 13.691 4.159 195 HZ3 LYS 25 HZ3 LYS 25 4.142 14.954 4.759 196 H ASN 26 H ASN 26 1.866 8.847 8.445 197 HA ASN 26 HA ASN 26 3.803 6.806 8.616 198 HB2 ASN 26 HB2 ASN 26 1.920 7.968 10.702 199 HB3 ASN 26 HB3 ASN 26 3.016 6.642 11.092 200 HD21 ASN 26 HD21 ASN 26 2.740 10.017 10.554 201 HD22 ASN 26 HD22 ASN 26 4.393 10.410 10.855 202 H ASN 27 H ASN 27 0.248 6.729 8.795 203 HA ASN 27 HA ASN 27 0.070 3.950 9.492 204 HB2 ASN 27 HB2 ASN 27 -1.989 5.934 8.447 205 HB3 ASN 27 HB3 ASN 27 -2.388 4.253 8.795 206 HD21 ASN 27 HD21 ASN 27 -2.371 3.532 10.943 207 HD22 ASN 27 HD22 ASN 27 -2.409 4.633 12.273 208 H LEU 28 H LEU 28 0.093 5.780 6.472 209 HA LEU 28 HA LEU 28 -0.921 3.879 4.718 210 HB2 LEU 28 HB2 LEU 28 1.182 6.005 4.173 211 HB3 LEU 28 HB3 LEU 28 0.377 5.075 2.918 212 HG LEU 28 HG LEU 28 -0.909 7.104 4.788 213 HD11 LEU 28 HD11 LEU 28 -1.404 8.362 2.767 214 HD12 LEU 28 HD12 LEU 28 -0.599 7.142 1.775 215 HD13 LEU 28 HD13 LEU 28 0.334 8.103 2.930 216 HD21 LEU 28 HD21 LEU 28 -2.461 5.268 4.506 217 HD22 LEU 28 HD22 LEU 28 -2.255 5.310 2.751 218 HD23 LEU 28 HD23 LEU 28 -3.013 6.668 3.589 219 H LYS 29 H LYS 29 2.570 4.397 5.547 220 HA LYS 29 HA LYS 29 3.519 2.202 4.019 221 HB2 LYS 29 HB2 LYS 29 4.804 3.535 6.425 222 HB3 LYS 29 HB3 LYS 29 5.601 2.301 5.469 223 HG2 LYS 29 HG2 LYS 29 6.504 4.053 4.346 224 HG3 LYS 29 HG3 LYS 29 4.964 4.080 3.492 225 HD2 LYS 29 HD2 LYS 29 5.597 6.343 4.214 226 HD3 LYS 29 HD3 LYS 29 4.123 5.818 5.030 227 HE2 LYS 29 HE2 LYS 29 5.425 5.312 7.066 228 HE3 LYS 29 HE3 LYS 29 6.914 5.777 6.242 229 HZ1 LYS 29 HZ1 LYS 29 6.119 8.011 6.067 230 HZ2 LYS 29 HZ2 LYS 29 6.056 7.528 7.680 231 HZ3 LYS 29 HZ3 LYS 29 4.635 7.614 6.768 232 H ASN 30 H ASN 30 2.323 2.398 7.366 233 HA ASN 30 HA ASN 30 3.156 -0.157 8.247 234 HB2 ASN 30 HB2 ASN 30 0.913 1.661 9.189 235 HB3 ASN 30 HB3 ASN 30 1.181 0.081 9.920 236 HD21 ASN 30 HD21 ASN 30 1.685 0.998 11.930 237 HD22 ASN 30 HD22 ASN 30 3.176 1.824 12.214 238 H ASP 31 H ASP 31 0.198 0.898 6.584 239 HA ASP 31 HA ASP 31 -1.069 -1.663 6.529 240 HB2 ASP 31 HB2 ASP 31 -1.494 0.819 4.808 241 HB3 ASP 31 HB3 ASP 31 -2.513 -0.617 4.730 242 H VAL 32 H VAL 32 1.042 0.114 4.247 243 HA VAL 32 HA VAL 32 1.066 -1.701 2.099 244 HB VAL 32 HB VAL 32 3.233 0.229 3.058 245 HG11 VAL 32 HG11 VAL 32 4.334 -1.522 1.706 246 HG12 VAL 32 HG12 VAL 32 4.298 0.007 0.826 247 HG13 VAL 32 HG13 VAL 32 3.158 -1.277 0.412 248 HG21 VAL 32 HG21 VAL 32 1.131 1.292 2.311 249 HG22 VAL 32 HG22 VAL 32 1.252 0.455 0.765 250 HG23 VAL 32 HG23 VAL 32 2.459 1.665 1.208 251 H ASP 33 H ASP 33 2.819 -1.703 5.153 252 HA ASP 33 HA ASP 33 4.649 -3.835 4.559 253 HB2 ASP 33 HB2 ASP 33 5.139 -2.175 6.336 254 HB3 ASP 33 HB3 ASP 33 3.716 -2.683 7.232 255 H ASN 34 H ASN 34 1.521 -3.556 6.218 256 HA ASN 34 HA ASN 34 1.357 -6.275 7.088 257 HB2 ASN 34 HB2 ASN 34 -0.644 -3.990 6.973 258 HB3 ASN 34 HB3 ASN 34 -1.130 -5.598 7.513 259 HD21 ASN 34 HD21 ASN 34 -0.930 -2.996 8.948 260 HD22 ASN 34 HD22 ASN 34 0.023 -3.342 10.346 261 H THR 35 H THR 35 0.480 -4.703 4.090 262 HA THR 35 HA THR 35 -1.404 -6.669 3.185 263 HB THR 35 HB THR 35 -0.970 -5.597 0.901 264 HG1 THR 35 HG1 THR 35 1.105 -4.575 2.227 265 HG21 THR 35 HG21 THR 35 -2.111 -3.469 1.433 266 HG22 THR 35 HG22 THR 35 -1.786 -3.724 3.149 267 HG23 THR 35 HG23 THR 35 -2.853 -4.830 2.279 268 H ILE 36 H ILE 36 -1.027 -8.197 1.449 269 HA ILE 36 HA ILE 36 1.494 -9.609 1.772 270 HB ILE 36 HB ILE 36 0.460 -11.458 0.552 271 HG12 ILE 36 HG12 ILE 36 -1.958 -9.652 0.079 272 HG13 ILE 36 HG13 ILE 36 -0.795 -10.110 -1.156 273 HG21 ILE 36 HG21 ILE 36 -0.098 -11.222 2.953 274 HG22 ILE 36 HG22 ILE 36 -1.414 -11.977 2.053 275 HG23 ILE 36 HG23 ILE 36 -1.533 -10.281 2.523 276 HD11 ILE 36 HD11 ILE 36 -2.628 -12.002 0.317 277 HD12 ILE 36 HD12 ILE 36 -1.465 -12.443 -0.937 278 HD13 ILE 36 HD13 ILE 36 -2.834 -11.406 -1.330 279 H LEU 37 H LEU 37 1.448 -7.035 0.194 280 HA LEU 37 HA LEU 37 1.808 -7.438 -2.562 281 HB2 LEU 37 HB2 LEU 37 3.336 -5.411 -0.896 282 HB3 LEU 37 HB3 LEU 37 2.956 -5.309 -2.609 283 HG LEU 37 HG LEU 37 1.016 -5.025 -0.293 284 HD11 LEU 37 HD11 LEU 37 2.477 -3.096 -0.590 285 HD12 LEU 37 HD12 LEU 37 0.822 -2.697 -1.041 286 HD13 LEU 37 HD13 LEU 37 2.031 -2.990 -2.297 287 HD21 LEU 37 HD21 LEU 37 0.433 -4.861 -3.263 288 HD22 LEU 37 HD22 LEU 37 -0.690 -4.447 -1.961 289 HD23 LEU 37 HD23 LEU 37 -0.134 -6.107 -2.146 290 H SER 38 H SER 38 3.734 -7.620 -3.814 291 HA SER 38 HA SER 38 5.900 -9.170 -2.821 292 HB2 SER 38 HB2 SER 38 5.220 -9.042 -5.250 293 HB3 SER 38 HB3 SER 38 5.846 -7.399 -5.315 294 HG SER 38 HG SER 38 7.169 -9.756 -5.492 295 H HIS 39 H HIS 39 8.001 -8.521 -2.178 296 HA HIS 39 HA HIS 39 8.329 -6.281 -0.607 297 HB2 HIS 39 HB2 HIS 39 9.832 -8.115 -0.339 298 HB3 HIS 39 HB3 HIS 39 10.360 -8.042 -2.018 299 HD1 HIS 39 HD1 HIS 39 10.701 -6.041 1.217 300 HD2 HIS 39 HD2 HIS 39 12.628 -6.559 -2.422 301 HE1 HIS 39 HE1 HIS 39 12.817 -4.705 1.369 302 HE2 HIS 39 HE2 HIS 39 14.027 -5.169 -0.787 303 H GLU 40 H GLU 40 9.087 -6.668 -4.025 304 HA GLU 40 HA GLU 40 10.406 -4.262 -4.544 305 HB2 GLU 40 HB2 GLU 40 8.557 -5.871 -6.343 306 HB3 GLU 40 HB3 GLU 40 9.709 -4.654 -6.900 307 HG2 GLU 40 HG2 GLU 40 10.422 -7.248 -5.479 308 HG3 GLU 40 HG3 GLU 40 10.520 -6.974 -7.218 309 H GLN 41 H GLN 41 6.916 -5.036 -4.666 310 HA GLN 41 HA GLN 41 6.017 -2.548 -5.666 311 HB2 GLN 41 HB2 GLN 41 4.443 -4.524 -3.949 312 HB3 GLN 41 HB3 GLN 41 3.771 -3.288 -5.022 313 HG2 GLN 41 HG2 GLN 41 4.803 -4.464 -6.964 314 HG3 GLN 41 HG3 GLN 41 5.371 -5.726 -5.862 315 HE21 GLN 41 HE21 GLN 41 2.616 -4.394 -7.505 316 HE22 GLN 41 HE22 GLN 41 1.536 -5.688 -7.136 317 H LYS 42 H LYS 42 6.373 -3.857 -2.393 318 HA LYS 42 HA LYS 42 5.356 -1.724 -0.904 319 HB2 LYS 42 HB2 LYS 42 7.516 -3.751 -0.176 320 HB3 LYS 42 HB3 LYS 42 6.779 -2.639 0.982 321 HG2 LYS 42 HG2 LYS 42 4.559 -3.642 0.511 322 HG3 LYS 42 HG3 LYS 42 5.325 -4.793 -0.593 323 HD2 LYS 42 HD2 LYS 42 6.588 -5.788 1.263 324 HD3 LYS 42 HD3 LYS 42 5.978 -4.564 2.383 325 HE2 LYS 42 HE2 LYS 42 3.683 -5.425 2.035 326 HE3 LYS 42 HE3 LYS 42 4.312 -6.659 0.953 327 HZ1 LYS 42 HZ1 LYS 42 5.006 -6.387 3.825 328 HZ2 LYS 42 HZ2 LYS 42 5.539 -7.608 2.785 329 HZ3 LYS 42 HZ3 LYS 42 3.902 -7.491 3.182 330 H ASN 43 H ASN 43 8.643 -2.293 -2.166 331 HA ASN 43 HA ASN 43 10.034 -0.218 -0.914 332 HB2 ASN 43 HB2 ASN 43 10.478 -1.435 -3.669 333 HB3 ASN 43 HB3 ASN 43 11.617 -0.345 -2.892 334 HD21 ASN 43 HD21 ASN 43 11.996 -3.077 -3.764 335 HD22 ASN 43 HD22 ASN 43 12.516 -3.952 -2.375 336 H GLU 44 H GLU 44 8.351 -0.203 -4.077 337 HA GLU 44 HA GLU 44 8.766 2.472 -4.761 338 HB2 GLU 44 HB2 GLU 44 6.817 0.354 -5.583 339 HB3 GLU 44 HB3 GLU 44 6.348 2.002 -5.952 340 HG2 GLU 44 HG2 GLU 44 7.456 0.978 -7.866 341 HG3 GLU 44 HG3 GLU 44 8.380 2.349 -7.246 342 H PHE 45 H PHE 45 5.934 1.029 -3.062 343 HA PHE 45 HA PHE 45 4.459 3.398 -2.844 344 HB2 PHE 45 HB2 PHE 45 4.341 0.832 -1.226 345 HB3 PHE 45 HB3 PHE 45 3.226 2.166 -0.941 346 HD1 PHE 45 HD1 PHE 45 2.167 3.110 -3.291 347 HD2 PHE 45 HD2 PHE 45 3.475 -0.903 -2.559 348 HE1 PHE 45 HE1 PHE 45 0.680 2.290 -5.066 349 HE2 PHE 45 HE2 PHE 45 1.994 -1.709 -4.341 350 HZ PHE 45 HZ PHE 45 0.593 -0.118 -5.594 351 H LYS 46 H LYS 46 6.557 1.878 -0.338 352 HA LYS 46 HA LYS 46 6.127 3.611 1.771 353 HB2 LYS 46 HB2 LYS 46 8.695 2.177 0.996 354 HB3 LYS 46 HB3 LYS 46 8.456 2.988 2.546 355 HG2 LYS 46 HG2 LYS 46 6.647 1.420 3.112 356 HG3 LYS 46 HG3 LYS 46 6.830 0.617 1.547 357 HD2 LYS 46 HD2 LYS 46 9.007 0.800 3.680 358 HD3 LYS 46 HD3 LYS 46 7.982 -0.610 3.414 359 HE2 LYS 46 HE2 LYS 46 8.932 -0.891 1.162 360 HE3 LYS 46 HE3 LYS 46 9.915 0.557 1.375 361 HZ1 LYS 46 HZ1 LYS 46 11.055 -0.540 3.208 362 HZ2 LYS 46 HZ2 LYS 46 11.208 -1.429 1.775 363 HZ3 LYS 46 HZ3 LYS 46 10.129 -1.936 2.976 364 H THR 47 H THR 47 8.640 3.879 -0.773 365 HA THR 47 HA THR 47 9.875 6.233 0.158 366 HB THR 47 HB THR 47 9.740 5.123 -2.687 367 HG1 THR 47 HG1 THR 47 11.796 4.772 -0.755 368 HG21 THR 47 HG21 THR 47 10.558 7.459 -2.674 369 HG22 THR 47 HG22 THR 47 11.863 6.333 -3.056 370 HG23 THR 47 HG23 THR 47 11.758 7.025 -1.439 371 H LYS 48 H LYS 48 7.417 5.743 -2.440 372 HA LYS 48 HA LYS 48 7.217 8.392 -3.312 373 HB2 LYS 48 HB2 LYS 48 5.144 6.159 -3.400 374 HB3 LYS 48 HB3 LYS 48 4.986 7.686 -4.273 375 HG2 LYS 48 HG2 LYS 48 7.026 7.171 -5.562 376 HG3 LYS 48 HG3 LYS 48 7.199 5.644 -4.685 377 HD2 LYS 48 HD2 LYS 48 4.973 4.926 -5.580 378 HD3 LYS 48 HD3 LYS 48 4.888 6.428 -6.505 379 HE2 LYS 48 HE2 LYS 48 6.931 4.202 -6.848 380 HE3 LYS 48 HE3 LYS 48 5.608 4.594 -7.950 381 HZ1 LYS 48 HZ1 LYS 48 7.995 6.265 -7.354 382 HZ2 LYS 48 HZ2 LYS 48 6.679 6.804 -8.263 383 HZ3 LYS 48 HZ3 LYS 48 7.614 5.513 -8.820 384 H ILE 49 H ILE 49 5.480 6.708 -0.722 385 HA ILE 49 HA ILE 49 3.499 8.607 -0.150 386 HB ILE 49 HB ILE 49 4.828 6.516 1.619 387 HG12 ILE 49 HG12 ILE 49 2.019 6.519 0.431 388 HG13 ILE 49 HG13 ILE 49 3.400 5.797 -0.383 389 HG21 ILE 49 HG21 ILE 49 3.957 8.258 3.113 390 HG22 ILE 49 HG22 ILE 49 2.959 6.806 3.229 391 HG23 ILE 49 HG23 ILE 49 2.391 8.195 2.299 392 HD11 ILE 49 HD11 ILE 49 3.669 4.203 1.436 393 HD12 ILE 49 HD12 ILE 49 2.045 4.131 0.757 394 HD13 ILE 49 HD13 ILE 49 2.316 4.934 2.303 395 H ASP 50 H ASP 50 6.783 8.196 1.205 396 HA ASP 50 HA ASP 50 6.615 10.489 2.948 397 HB2 ASP 50 HB2 ASP 50 8.897 8.640 2.164 398 HB3 ASP 50 HB3 ASP 50 9.148 10.015 3.234 399 H GLU 51 H GLU 51 7.490 10.060 -0.372 400 HA GLU 51 HA GLU 51 8.922 12.609 -0.571 401 HB2 GLU 51 HB2 GLU 51 8.115 10.654 -2.773 402 HB3 GLU 51 HB3 GLU 51 9.146 12.071 -2.978 403 HG2 GLU 51 HG2 GLU 51 9.775 9.549 -1.420 404 HG3 GLU 51 HG3 GLU 51 10.540 10.108 -2.899 405 H THR 52 H THR 52 5.804 11.976 -0.123 406 HA THR 52 HA THR 52 4.830 14.103 -1.943 407 HB THR 52 HB THR 52 3.257 11.703 -0.911 408 HG1 THR 52 HG1 THR 52 4.956 11.432 -2.620 409 HG21 THR 52 HG21 THR 52 2.478 13.811 -2.952 410 HG22 THR 52 HG22 THR 52 1.842 13.712 -1.308 411 HG23 THR 52 HG23 THR 52 1.504 12.423 -2.468 412 H ASN 53 H ASN 53 3.861 15.806 -1.028 413 HA ASN 53 HA ASN 53 2.875 15.729 1.780 414 HB2 ASN 53 HB2 ASN 53 3.804 18.189 0.225 415 HB3 ASN 53 HB3 ASN 53 3.377 18.127 1.927 416 HD21 ASN 53 HD21 ASN 53 4.918 17.388 3.416 417 HD22 ASN 53 HD22 ASN 53 6.558 17.079 2.989 418 H ASP 54 H ASP 54 1.891 15.514 -1.284 419 HA ASP 54 HA ASP 54 -0.465 17.248 -1.249 420 HB2 ASP 54 HB2 ASP 54 0.944 17.035 -3.313 421 HB3 ASP 54 HB3 ASP 54 0.630 15.309 -3.354 422 H SER 55 H SER 55 -2.588 16.428 -1.203 423 HA SER 55 HA SER 55 -2.978 13.967 0.211 424 HB2 SER 55 HB2 SER 55 -5.027 15.880 -0.963 425 HB3 SER 55 HB3 SER 55 -5.373 14.569 0.174 426 HG SER 55 HG SER 55 -3.399 16.418 0.890 427 H ASP 56 H ASP 56 -3.796 15.033 -3.117 428 HA ASP 56 HA ASP 56 -5.398 12.808 -3.822 429 HB2 ASP 56 HB2 ASP 56 -3.943 14.853 -5.555 430 HB3 ASP 56 HB3 ASP 56 -4.995 13.612 -6.233 431 H ALA 57 H ALA 57 -1.946 13.448 -4.261 432 HA ALA 57 HA ALA 57 -1.313 11.248 -5.930 433 HB1 ALA 57 HB1 ALA 57 0.468 12.794 -4.018 434 HB2 ALA 57 HB2 ALA 57 0.169 13.193 -5.708 435 HB3 ALA 57 HB3 ALA 57 1.030 11.708 -5.296 436 H LEU 58 H LEU 58 -1.427 11.671 -2.410 437 HA LEU 58 HA LEU 58 -0.500 9.046 -1.749 438 HB2 LEU 58 HB2 LEU 58 -1.997 11.157 -0.181 439 HB3 LEU 58 HB3 LEU 58 -1.473 9.633 0.531 440 HG LEU 58 HG LEU 58 0.381 11.736 -0.647 441 HD11 LEU 58 HD11 LEU 58 -0.698 12.526 1.372 442 HD12 LEU 58 HD12 LEU 58 1.006 12.186 1.668 443 HD13 LEU 58 HD13 LEU 58 -0.231 11.052 2.229 444 HD21 LEU 58 HD21 LEU 58 2.180 10.406 0.376 445 HD22 LEU 58 HD22 LEU 58 1.311 9.482 -0.847 446 HD23 LEU 58 HD23 LEU 58 1.004 9.181 0.867 447 H LEU 59 H LEU 59 -3.668 10.508 -2.323 448 HA LEU 59 HA LEU 59 -5.317 8.410 -1.414 449 HB2 LEU 59 HB2 LEU 59 -5.743 10.561 -3.515 450 HB3 LEU 59 HB3 LEU 59 -7.003 9.404 -3.104 451 HG LEU 59 HG LEU 59 -5.746 11.340 -1.115 452 HD11 LEU 59 HD11 LEU 59 -6.995 12.573 -2.813 453 HD12 LEU 59 HD12 LEU 59 -7.813 12.625 -1.253 454 HD13 LEU 59 HD13 LEU 59 -8.414 11.559 -2.531 455 HD21 LEU 59 HD21 LEU 59 -8.157 9.512 -0.872 456 HD22 LEU 59 HD22 LEU 59 -7.634 10.703 0.325 457 HD23 LEU 59 HD23 LEU 59 -6.602 9.327 -0.049 458 H GLU 60 H GLU 60 -3.619 8.992 -4.441 459 HA GLU 60 HA GLU 60 -4.715 6.809 -5.911 460 HB2 GLU 60 HB2 GLU 60 -3.659 8.824 -6.951 461 HB3 GLU 60 HB3 GLU 60 -2.097 8.312 -6.319 462 HG2 GLU 60 HG2 GLU 60 -2.139 6.301 -7.703 463 HG3 GLU 60 HG3 GLU 60 -3.766 6.680 -8.263 464 H LEU 61 H LEU 61 -1.574 7.304 -4.204 465 HA LEU 61 HA LEU 61 -0.472 4.751 -4.542 466 HB2 LEU 61 HB2 LEU 61 -0.143 6.730 -2.250 467 HB3 LEU 61 HB3 LEU 61 0.880 5.309 -2.460 468 HG LEU 61 HG LEU 61 0.658 7.564 -4.497 469 HD11 LEU 61 HD11 LEU 61 2.827 8.329 -3.702 470 HD12 LEU 61 HD12 LEU 61 2.826 7.094 -2.437 471 HD13 LEU 61 HD13 LEU 61 1.625 8.391 -2.413 472 HD21 LEU 61 HD21 LEU 61 2.622 5.261 -4.296 473 HD22 LEU 61 HD22 LEU 61 2.667 6.574 -5.479 474 HD23 LEU 61 HD23 LEU 61 1.325 5.432 -5.485 475 H GLU 62 H GLU 62 -2.756 5.957 -2.194 476 HA GLU 62 HA GLU 62 -2.752 3.845 -0.318 477 HB2 GLU 62 HB2 GLU 62 -3.670 6.321 -0.150 478 HB3 GLU 62 HB3 GLU 62 -5.140 5.653 -0.832 479 HG2 GLU 62 HG2 GLU 62 -3.842 4.812 1.760 480 HG3 GLU 62 HG3 GLU 62 -5.201 5.920 1.625 481 H ASN 63 H ASN 63 -4.893 4.751 -2.977 482 HA ASN 63 HA ASN 63 -6.721 2.614 -2.834 483 HB2 ASN 63 HB2 ASN 63 -7.021 4.864 -3.985 484 HB3 ASN 63 HB3 ASN 63 -5.980 4.289 -5.275 485 HD21 ASN 63 HD21 ASN 63 -8.670 5.238 -5.434 486 HD22 ASN 63 HD22 ASN 63 -9.632 3.968 -6.094 487 H GLN 64 H GLN 64 -3.644 3.029 -4.549 488 HA GLN 64 HA GLN 64 -3.840 0.825 -6.308 489 HB2 GLN 64 HB2 GLN 64 -1.473 2.431 -5.306 490 HB3 GLN 64 HB3 GLN 64 -1.247 1.069 -6.400 491 HG2 GLN 64 HG2 GLN 64 -2.626 2.185 -8.094 492 HG3 GLN 64 HG3 GLN 64 -2.904 3.536 -7.001 493 HE21 GLN 64 HE21 GLN 64 -1.161 4.940 -6.514 494 HE22 GLN 64 HE22 GLN 64 0.230 5.036 -7.523 495 H PHE 65 H PHE 65 -2.212 1.118 -3.069 496 HA PHE 65 HA PHE 65 -1.101 -1.498 -3.306 497 HB2 PHE 65 HB2 PHE 65 -0.145 -1.263 -1.161 498 HB3 PHE 65 HB3 PHE 65 -0.091 0.332 -1.875 499 HD1 PHE 65 HD1 PHE 65 -1.049 2.199 -0.704 500 HD2 PHE 65 HD2 PHE 65 -1.882 -1.768 0.655 501 HE1 PHE 65 HE1 PHE 65 -2.004 3.096 1.382 502 HE2 PHE 65 HE2 PHE 65 -2.848 -0.859 2.710 503 HZ PHE 65 HZ PHE 65 -2.905 1.573 3.083 504 H ASN 66 H ASN 66 -4.128 -0.302 -1.899 505 HA ASN 66 HA ASN 66 -4.841 -2.808 -0.670 506 HB2 ASN 66 HB2 ASN 66 -6.547 -0.378 -1.358 507 HB3 ASN 66 HB3 ASN 66 -7.161 -1.800 -0.513 508 HD21 ASN 66 HD21 ASN 66 -5.447 1.129 -0.215 509 HD22 ASN 66 HD22 ASN 66 -5.141 1.044 1.475 510 H GLU 67 H GLU 67 -5.486 -1.288 -3.813 511 HA GLU 67 HA GLU 67 -7.411 -3.117 -4.791 512 HB2 GLU 67 HB2 GLU 67 -6.957 -0.923 -5.850 513 HB3 GLU 67 HB3 GLU 67 -5.345 -1.461 -6.295 514 HG2 GLU 67 HG2 GLU 67 -6.795 -1.526 -8.247 515 HG3 GLU 67 HG3 GLU 67 -6.322 -3.169 -7.803 516 H THR 68 H THR 68 -3.900 -2.911 -5.204 517 HA THR 68 HA THR 68 -3.418 -5.199 -6.710 518 HB THR 68 HB THR 68 -1.611 -3.779 -4.704 519 HG1 THR 68 HG1 THR 68 -2.344 -2.478 -6.450 520 HG21 THR 68 HG21 THR 68 0.290 -4.793 -5.909 521 HG22 THR 68 HG22 THR 68 -0.831 -5.690 -6.932 522 HG23 THR 68 HG23 THR 68 -0.741 -6.049 -5.208 523 H ASN 69 H ASN 69 -3.356 -4.641 -3.182 524 HA ASN 69 HA ASN 69 -2.584 -7.146 -2.272 525 HB2 ASN 69 HB2 ASN 69 -2.774 -5.142 -0.817 526 HB3 ASN 69 HB3 ASN 69 -4.529 -5.192 -0.958 527 HD21 ASN 69 HD21 ASN 69 -2.174 -7.805 -0.414 528 HD22 ASN 69 HD22 ASN 69 -2.843 -8.301 1.099 529 H ARG 70 H ARG 70 -5.859 -5.916 -2.934 530 HA ARG 70 HA ARG 70 -7.333 -8.114 -1.991 531 HB2 ARG 70 HB2 ARG 70 -8.198 -5.770 -2.439 532 HB3 ARG 70 HB3 ARG 70 -8.129 -6.120 -4.164 533 HG2 ARG 70 HG2 ARG 70 -9.797 -7.896 -3.892 534 HG3 ARG 70 HG3 ARG 70 -9.838 -7.613 -2.148 535 HD2 ARG 70 HD2 ARG 70 -10.648 -5.278 -2.597 536 HD3 ARG 70 HD3 ARG 70 -10.673 -5.657 -4.323 537 HE ARG 70 HE ARG 70 -12.232 -7.404 -2.592 538 HH11 ARG 70 HH11 ARG 70 -12.333 -4.641 -4.779 539 HH12 ARG 70 HH12 ARG 70 -14.043 -4.765 -5.035 540 HH21 ARG 70 HH21 ARG 70 -14.468 -7.485 -2.871 541 HH22 ARG 70 HH22 ARG 70 -15.255 -6.381 -3.951 542 H LEU 71 H LEU 71 -6.173 -7.238 -5.236 543 HA LEU 71 HA LEU 71 -7.224 -9.411 -6.691 544 HB2 LEU 71 HB2 LEU 71 -4.777 -7.680 -7.239 545 HB3 LEU 71 HB3 LEU 71 -5.481 -8.793 -8.406 546 HG LEU 71 HG LEU 71 -6.889 -6.345 -7.256 547 HD11 LEU 71 HD11 LEU 71 -5.693 -6.754 -10.011 548 HD12 LEU 71 HD12 LEU 71 -5.053 -5.708 -8.738 549 HD13 LEU 71 HD13 LEU 71 -6.614 -5.346 -9.470 550 HD21 LEU 71 HD21 LEU 71 -8.602 -6.777 -8.965 551 HD22 LEU 71 HD22 LEU 71 -8.477 -8.106 -7.816 552 HD23 LEU 71 HD23 LEU 71 -7.772 -8.266 -9.430 553 H LEU 72 H LEU 72 -4.206 -8.993 -4.870 554 HA LEU 72 HA LEU 72 -2.901 -11.382 -5.646 555 HB2 LEU 72 HB2 LEU 72 -2.682 -9.765 -3.091 556 HB3 LEU 72 HB3 LEU 72 -1.621 -11.110 -3.477 557 HG LEU 72 HG LEU 72 -1.807 -8.566 -5.130 558 HD11 LEU 72 HD11 LEU 72 0.271 -7.887 -4.084 559 HD12 LEU 72 HD12 LEU 72 0.290 -9.352 -3.094 560 HD13 LEU 72 HD13 LEU 72 -0.969 -8.138 -2.849 561 HD21 LEU 72 HD21 LEU 72 -1.038 -10.516 -6.423 562 HD22 LEU 72 HD22 LEU 72 0.214 -10.836 -5.217 563 HD23 LEU 72 HD23 LEU 72 0.266 -9.354 -6.179 564 H HIS 73 H HIS 73 -5.196 -10.667 -2.976 565 HA HIS 73 HA HIS 73 -4.957 -13.165 -1.637 566 HB2 HIS 73 HB2 HIS 73 -7.257 -11.167 -1.662 567 HB3 HIS 73 HB3 HIS 73 -7.238 -12.591 -0.629 568 HD1 HIS 73 HD1 HIS 73 -5.040 -12.641 1.073 569 HD2 HIS 73 HD2 HIS 73 -6.218 -8.972 -0.442 570 HE1 HIS 73 HE1 HIS 73 -3.965 -10.908 2.529 571 HE2 HIS 73 HE2 HIS 73 -4.973 -8.740 1.776 572 H ILE 74 H ILE 74 -7.089 -12.029 -4.214 573 HA ILE 74 HA ILE 74 -8.798 -14.297 -4.384 574 HB ILE 74 HB ILE 74 -8.119 -12.177 -6.477 575 HG12 ILE 74 HG12 ILE 74 -10.489 -12.241 -4.546 576 HG13 ILE 74 HG13 ILE 74 -9.032 -11.290 -4.294 577 HG21 ILE 74 HG21 ILE 74 -9.177 -14.125 -7.541 578 HG22 ILE 74 HG22 ILE 74 -10.272 -12.741 -7.547 579 HG23 ILE 74 HG23 ILE 74 -10.511 -14.049 -6.385 580 HD11 ILE 74 HD11 ILE 74 -10.810 -9.907 -5.154 581 HD12 ILE 74 HD12 ILE 74 -10.991 -10.946 -6.567 582 HD13 ILE 74 HD13 ILE 74 -9.506 -10.017 -6.334 583 H LYS 75 H LYS 75 -5.919 -13.279 -6.235 584 HA LYS 75 HA LYS 75 -5.741 -15.464 -8.018 585 HB2 LYS 75 HB2 LYS 75 -4.589 -13.350 -8.464 586 HB3 LYS 75 HB3 LYS 75 -3.622 -13.523 -7.002 587 HG2 LYS 75 HG2 LYS 75 -2.472 -15.466 -7.966 588 HG3 LYS 75 HG3 LYS 75 -3.467 -15.350 -9.424 589 HD2 LYS 75 HD2 LYS 75 -2.492 -13.140 -9.927 590 HD3 LYS 75 HD3 LYS 75 -1.552 -13.201 -8.432 591 HE2 LYS 75 HE2 LYS 75 -1.248 -15.167 -10.737 592 HE3 LYS 75 HE3 LYS 75 -0.205 -13.774 -10.459 593 HZ1 LYS 75 HZ1 LYS 75 -0.552 -16.043 -8.570 594 HZ2 LYS 75 HZ2 LYS 75 0.464 -14.716 -8.347 595 HZ3 LYS 75 HZ3 LYS 75 0.768 -15.809 -9.598 596 H GLN 76 H GLN 76 -4.181 -14.837 -4.906 597 HA GLN 76 HA GLN 76 -2.560 -17.180 -4.888 598 HB2 GLN 76 HB2 GLN 76 -1.877 -15.135 -3.716 599 HB3 GLN 76 HB3 GLN 76 -3.259 -15.259 -2.638 600 HG2 GLN 76 HG2 GLN 76 -2.340 -17.303 -1.652 601 HG3 GLN 76 HG3 GLN 76 -1.003 -17.279 -2.799 602 HE21 GLN 76 HE21 GLN 76 -2.300 -14.462 -1.146 603 HE22 GLN 76 HE22 GLN 76 -0.896 -14.158 -0.194 604 H HIS 77 H HIS 77 -5.844 -16.463 -3.834 605 HA HIS 77 HA HIS 77 -6.228 -18.702 -2.147 606 HB2 HIS 77 HB2 HIS 77 -7.917 -16.908 -2.252 607 HB3 HIS 77 HB3 HIS 77 -8.282 -17.313 -3.927 608 HD1 HIS 77 HD1 HIS 77 -8.649 -18.701 -0.415 609 HD2 HIS 77 HD2 HIS 77 -10.092 -19.408 -4.244 610 HE1 HIS 77 HE1 HIS 77 -10.451 -20.434 -0.165 611 HE2 HIS 77 HE2 HIS 77 -11.422 -20.687 -2.464 612 H GLU 78 H GLU 78 -6.498 -18.268 -5.651 613 HA GLU 78 HA GLU 78 -7.347 -20.919 -6.255 614 HB2 GLU 78 HB2 GLU 78 -5.941 -18.881 -8.020 615 HB3 GLU 78 HB3 GLU 78 -6.811 -20.310 -8.587 616 HG2 GLU 78 HG2 GLU 78 -8.033 -17.949 -7.110 617 HG3 GLU 78 HG3 GLU 78 -8.129 -18.236 -8.847 618 H GLU 79 H GLU 79 -4.218 -19.405 -5.743 619 HA GLU 79 HA GLU 79 -2.643 -21.625 -6.668 620 HB2 GLU 79 HB2 GLU 79 -1.870 -19.225 -4.965 621 HB3 GLU 79 HB3 GLU 79 -0.729 -20.389 -5.646 622 HG2 GLU 79 HG2 GLU 79 -1.484 -19.756 -7.939 623 HG3 GLU 79 HG3 GLU 79 -2.579 -18.566 -7.231 624 H VAL 80 H VAL 80 -4.026 -20.636 -3.577 625 HA VAL 80 HA VAL 80 -2.767 -22.607 -1.939 626 HB VAL 80 HB VAL 80 -5.304 -20.946 -1.576 627 HG11 VAL 80 HG11 VAL 80 -5.685 -23.058 -0.366 628 HG12 VAL 80 HG12 VAL 80 -5.423 -21.737 0.776 629 HG13 VAL 80 HG13 VAL 80 -4.125 -22.890 0.449 630 HG21 VAL 80 HG21 VAL 80 -2.609 -20.852 -0.156 631 HG22 VAL 80 HG22 VAL 80 -3.975 -19.776 0.161 632 HG23 VAL 80 HG23 VAL 80 -3.155 -19.727 -1.401 633 H GLU 81 H GLU 81 -5.696 -22.450 -3.874 634 HA GLU 81 HA GLU 81 -6.801 -24.951 -3.248 635 HB2 GLU 81 HB2 GLU 81 -7.051 -23.191 -5.708 636 HB3 GLU 81 HB3 GLU 81 -7.975 -24.680 -5.519 637 HG2 GLU 81 HG2 GLU 81 -8.106 -22.308 -3.626 638 HG3 GLU 81 HG3 GLU 81 -9.254 -22.616 -4.924 639 H LYS 82 H LYS 82 -4.571 -23.974 -5.909 640 HA LYS 82 HA LYS 82 -4.652 -26.498 -7.197 641 HB2 LYS 82 HB2 LYS 82 -2.957 -25.689 -8.673 642 HB3 LYS 82 HB3 LYS 82 -3.999 -24.321 -8.298 643 HG2 LYS 82 HG2 LYS 82 -2.291 -23.565 -6.613 644 HG3 LYS 82 HG3 LYS 82 -1.233 -24.867 -7.161 645 HD2 LYS 82 HD2 LYS 82 -2.277 -22.592 -8.896 646 HD3 LYS 82 HD3 LYS 82 -0.674 -22.660 -8.168 647 HE2 LYS 82 HE2 LYS 82 -0.119 -24.632 -9.530 648 HE3 LYS 82 HE3 LYS 82 -1.744 -24.636 -10.221 649 HZ1 LYS 82 HZ1 LYS 82 -1.306 -22.506 -11.240 650 HZ2 LYS 82 HZ2 LYS 82 -0.085 -23.583 -11.688 651 HZ3 LYS 82 HZ3 LYS 82 0.215 -22.409 -10.509 652 H ASP 83 H ASP 83 -2.561 -25.180 -4.668 653 HA ASP 83 HA ASP 83 -0.554 -27.224 -4.769 654 HB2 ASP 83 HB2 ASP 83 -1.265 -25.228 -2.583 655 HB3 ASP 83 HB3 ASP 83 0.096 -26.336 -2.471 656 H LYS 84 H LYS 84 -3.450 -26.710 -2.745 657 HA LYS 84 HA LYS 84 -3.039 -29.093 -1.157 658 HB2 LYS 84 HB2 LYS 84 -5.343 -27.117 -1.346 659 HB3 LYS 84 HB3 LYS 84 -5.353 -28.503 -0.251 660 HG2 LYS 84 HG2 LYS 84 -3.358 -27.681 0.883 661 HG3 LYS 84 HG3 LYS 84 -3.229 -26.333 -0.252 662 HD2 LYS 84 HD2 LYS 84 -5.282 -25.366 0.580 663 HD3 LYS 84 HD3 LYS 84 -5.597 -26.769 1.603 664 HE2 LYS 84 HE2 LYS 84 -4.710 -24.814 2.870 665 HE3 LYS 84 HE3 LYS 84 -3.674 -26.236 2.995 666 HZ1 LYS 84 HZ1 LYS 84 -2.361 -24.264 2.636 667 HZ2 LYS 84 HZ2 LYS 84 -3.214 -23.890 1.228 668 HZ3 LYS 84 HZ3 LYS 84 -2.239 -25.266 1.278 669 H LYS 85 H LYS 85 -4.738 -28.325 -4.099 670 HA LYS 85 HA LYS 85 -6.186 -30.842 -4.245 671 HB2 LYS 85 HB2 LYS 85 -6.043 -28.395 -6.009 672 HB3 LYS 85 HB3 LYS 85 -6.490 -29.908 -6.774 673 HG2 LYS 85 HG2 LYS 85 -8.485 -28.676 -6.194 674 HG3 LYS 85 HG3 LYS 85 -8.387 -30.152 -5.235 675 HD2 LYS 85 HD2 LYS 85 -7.588 -28.799 -3.285 676 HD3 LYS 85 HD3 LYS 85 -7.744 -27.334 -4.259 677 HE2 LYS 85 HE2 LYS 85 -10.192 -27.803 -4.486 678 HE3 LYS 85 HE3 LYS 85 -9.985 -29.209 -3.446 679 HZ1 LYS 85 HZ1 LYS 85 -9.189 -27.679 -1.697 680 HZ2 LYS 85 HZ2 LYS 85 -10.796 -27.421 -2.145 681 HZ3 LYS 85 HZ3 LYS 85 -9.591 -26.366 -2.690 682 H ALA 86 H ALA 86 -3.040 -29.728 -4.927 683 HA ALA 86 HA ALA 86 -2.324 -31.568 -7.009 684 HB1 ALA 86 HB1 ALA 86 0.004 -30.911 -6.478 685 HB2 ALA 86 HB2 ALA 86 -0.568 -30.035 -5.057 686 HB3 ALA 86 HB3 ALA 86 -1.049 -29.511 -6.672 687 H LYS 87 H LYS 87 -3.299 -33.467 -6.112 688 HA LYS 87 HA LYS 87 -2.592 -34.700 -3.661 689 HB2 LYS 87 HB2 LYS 87 -4.663 -35.199 -4.885 690 HB3 LYS 87 HB3 LYS 87 -3.745 -35.882 -6.221 691 HG2 LYS 87 HG2 LYS 87 -3.010 -37.747 -4.802 692 HG3 LYS 87 HG3 LYS 87 -3.815 -37.027 -3.404 693 HD2 LYS 87 HD2 LYS 87 -5.156 -38.871 -4.407 694 HD3 LYS 87 HD3 LYS 87 -6.007 -37.325 -4.450 695 HE2 LYS 87 HE2 LYS 87 -5.345 -37.063 -6.842 696 HE3 LYS 87 HE3 LYS 87 -4.541 -38.632 -6.771 697 HZ1 LYS 87 HZ1 LYS 87 -6.765 -38.724 -7.758 698 HZ2 LYS 87 HZ2 LYS 87 -7.440 -38.192 -6.299 699 HZ3 LYS 87 HZ3 LYS 87 -6.646 -39.681 -6.372 700 H GLN 88 H GLN 88 -1.327 -35.000 -6.955 701 HA GLN 88 HA GLN 88 1.196 -36.031 -5.795 702 HB2 GLN 88 HB2 GLN 88 -0.042 -36.860 -8.462 703 HB3 GLN 88 HB3 GLN 88 1.625 -37.195 -7.999 704 HG2 GLN 88 HG2 GLN 88 0.812 -38.540 -6.074 705 HG3 GLN 88 HG3 GLN 88 -0.852 -38.240 -6.582 706 HE21 GLN 88 HE21 GLN 88 2.123 -39.918 -7.323 707 HE22 GLN 88 HE22 GLN 88 1.438 -41.032 -8.449 708 H GLN 89 H GLN 89 0.125 -34.900 -8.999 709 HA GLN 89 HA GLN 89 0.709 -33.245 -10.396 710 HB2 GLN 89 HB2 GLN 89 -0.127 -31.753 -8.633 711 HB3 GLN 89 HB3 GLN 89 1.441 -31.756 -7.848 712 HG2 GLN 89 HG2 GLN 89 1.036 -29.652 -9.051 713 HG3 GLN 89 HG3 GLN 89 2.425 -30.506 -9.709 714 HE21 GLN 89 HE21 GLN 89 2.336 -31.272 -11.818 715 HE22 GLN 89 HE22 GLN 89 1.074 -30.854 -12.915 716 H LYS 90 H LYS 90 2.393 -33.342 -11.777 717 HA LYS 90 HA LYS 90 5.133 -33.704 -10.912 718 HB2 LYS 90 HB2 LYS 90 4.340 -34.611 -13.090 719 HB3 LYS 90 HB3 LYS 90 4.067 -32.971 -13.668 720 HG2 LYS 90 HG2 LYS 90 6.537 -32.519 -13.354 721 HG3 LYS 90 HG3 LYS 90 6.746 -34.220 -12.942 722 HD2 LYS 90 HD2 LYS 90 7.387 -33.897 -15.238 723 HD3 LYS 90 HD3 LYS 90 5.893 -34.829 -15.210 724 HE2 LYS 90 HE2 LYS 90 5.948 -31.824 -15.660 725 HE3 LYS 90 HE3 LYS 90 6.069 -32.985 -16.977 726 HZ1 LYS 90 HZ1 LYS 90 3.897 -33.878 -16.258 727 HZ2 LYS 90 HZ2 LYS 90 3.827 -32.277 -16.782 728 HZ3 LYS 90 HZ3 LYS 90 3.772 -32.623 -15.133 729 H THR 91 H THR 91 4.994 -31.900 -9.443 730 HA THR 91 HA THR 91 5.431 -29.218 -10.520 731 HB THR 91 HB THR 91 4.186 -29.345 -8.417 732 HG1 THR 91 HG1 THR 91 6.824 -28.354 -7.906 733 HG21 THR 91 HG21 THR 91 5.159 -30.197 -6.324 734 HG22 THR 91 HG22 THR 91 6.608 -30.712 -7.190 735 HG23 THR 91 HG23 THR 91 5.054 -31.481 -7.534 736 H LEU 92 H LEU 92 7.128 -32.053 -9.551 737 HA LEU 92 HA LEU 92 9.237 -32.791 -9.584 738 HB2 LEU 92 HB2 LEU 92 9.297 -31.769 -11.857 739 HB3 LEU 92 HB3 LEU 92 9.887 -30.271 -11.154 740 HG LEU 92 HG LEU 92 11.956 -31.530 -10.364 741 HD11 LEU 92 HD11 LEU 92 12.497 -33.698 -11.344 742 HD12 LEU 92 HD12 LEU 92 10.903 -33.777 -12.103 743 HD13 LEU 92 HD13 LEU 92 11.048 -33.799 -10.342 744 HD21 LEU 92 HD21 LEU 92 12.013 -30.153 -12.393 745 HD22 LEU 92 HD22 LEU 92 11.504 -31.537 -13.365 746 HD23 LEU 92 HD23 LEU 92 13.069 -31.559 -12.545 747 H LYS 93 H LYS 93 11.032 -32.790 -8.276 748 HA LYS 93 HA LYS 93 12.595 -32.200 -6.758 749 HB2 LYS 93 HB2 LYS 93 13.192 -30.590 -8.581 750 HB3 LYS 93 HB3 LYS 93 12.118 -29.392 -7.869 751 HG2 LYS 93 HG2 LYS 93 13.577 -29.372 -5.839 752 HG3 LYS 93 HG3 LYS 93 14.674 -30.493 -6.657 753 HD2 LYS 93 HD2 LYS 93 15.113 -28.825 -8.410 754 HD3 LYS 93 HD3 LYS 93 13.946 -27.714 -7.682 755 HE2 LYS 93 HE2 LYS 93 16.263 -27.092 -7.108 756 HE3 LYS 93 HE3 LYS 93 15.347 -27.545 -5.672 757 HZ1 LYS 93 HZ1 LYS 93 17.234 -29.315 -7.126 758 HZ2 LYS 93 HZ2 LYS 93 16.408 -29.710 -5.705 759 HZ3 LYS 93 HZ3 LYS 93 17.582 -28.490 -5.693 760 H GLN 94 H GLN 94 10.181 -32.688 -5.712 761 HA GLN 94 HA GLN 94 9.026 -30.679 -4.071 762 HB2 GLN 94 HB2 GLN 94 8.909 -33.715 -3.868 763 HB3 GLN 94 HB3 GLN 94 7.946 -32.634 -2.860 764 HG2 GLN 94 HG2 GLN 94 6.863 -31.731 -4.912 765 HG3 GLN 94 HG3 GLN 94 7.798 -32.868 -5.886 766 HE21 GLN 94 HE21 GLN 94 5.881 -33.806 -6.670 767 HE22 GLN 94 HE22 GLN 94 4.885 -34.841 -5.716 768 H SER 95 H SER 95 10.741 -29.679 -3.049 769 HA SER 95 HA SER 95 12.343 -31.090 -1.045 770 HB2 SER 95 HB2 SER 95 12.350 -28.134 -1.828 771 HB3 SER 95 HB3 SER 95 13.557 -28.964 -0.843 772 HG SER 95 HG SER 95 12.965 -29.519 -3.576 773 H ASP 96 H ASP 96 11.450 -31.381 0.927 774 HA ASP 96 HA ASP 96 9.094 -30.134 1.852 775 HB2 ASP 96 HB2 ASP 96 9.804 -32.356 2.651 776 HB3 ASP 96 HB3 ASP 96 11.233 -31.656 3.409 777 H THR 97 H THR 97 9.136 -27.949 1.991 778 HA THR 97 HA THR 97 11.356 -26.537 3.314 779 HB THR 97 HB THR 97 9.037 -25.351 1.722 780 HG1 THR 97 HG1 THR 97 10.331 -26.736 0.410 781 HG21 THR 97 HG21 THR 97 10.498 -23.370 1.508 782 HG22 THR 97 HG22 THR 97 11.732 -24.163 2.487 783 HG23 THR 97 HG23 THR 97 10.183 -23.722 3.211 784 H LYS 98 H LYS 98 10.943 -26.769 5.494 785 HA LYS 98 HA LYS 98 8.581 -25.390 6.590 786 HB2 LYS 98 HB2 LYS 98 9.600 -28.102 7.561 787 HB3 LYS 98 HB3 LYS 98 8.428 -27.112 8.426 788 HG2 LYS 98 HG2 LYS 98 6.903 -27.290 6.423 789 HG3 LYS 98 HG3 LYS 98 8.055 -28.417 5.704 790 HD2 LYS 98 HD2 LYS 98 6.165 -29.586 6.783 791 HD3 LYS 98 HD3 LYS 98 7.708 -29.990 7.540 792 HE2 LYS 98 HE2 LYS 98 5.874 -29.623 9.196 793 HE3 LYS 98 HE3 LYS 98 7.222 -28.509 9.426 794 HZ1 LYS 98 HZ1 LYS 98 4.719 -27.834 7.969 795 HZ2 LYS 98 HZ2 LYS 98 5.968 -26.772 8.383 796 HZ3 LYS 98 HZ3 LYS 98 5.011 -27.461 9.590 797 H VAL 99 H VAL 99 11.707 -26.905 7.441 798 HA VAL 99 HA VAL 99 12.126 -24.993 9.620 799 HB VAL 99 HB VAL 99 13.953 -27.268 8.724 800 HG11 VAL 99 HG11 VAL 99 13.828 -25.729 11.348 801 HG12 VAL 99 HG12 VAL 99 15.082 -25.588 10.111 802 HG13 VAL 99 HG13 VAL 99 14.896 -27.095 11.007 803 HG21 VAL 99 HG21 VAL 99 11.771 -27.346 10.858 804 HG22 VAL 99 HG22 VAL 99 12.946 -28.629 10.550 805 HG23 VAL 99 HG23 VAL 99 11.756 -28.210 9.316
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