NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13651 | 1va8 | 11200 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 31.592 23.625 -27.657 2 HA2 GLY 1 1HA GLY 1 29.787 22.584 -28.845 3 HA3 GLY 1 2HA GLY 1 29.963 21.797 -27.289 4 H SER 2 H SER 2 27.532 21.461 -28.349 5 HA SER 2 HA SER 2 25.868 22.671 -26.480 6 HB2 SER 2 1HB SER 2 26.304 24.317 -28.721 7 HB3 SER 2 2HB SER 2 24.765 23.550 -29.061 8 HG SER 2 HG SER 2 23.820 24.564 -27.380 9 H SER 3 H SER 3 24.478 20.993 -26.077 10 HA SER 3 HA SER 3 22.919 19.888 -28.098 11 HB2 SER 3 1HB SER 3 25.500 18.675 -27.844 12 HB3 SER 3 2HB SER 3 24.349 17.547 -27.155 13 HG SER 3 HG SER 3 23.906 18.799 -29.720 14 H GLY 4 H GLY 4 21.471 18.106 -27.181 15 HA2 GLY 4 1HA GLY 4 21.218 18.476 -24.262 16 HA3 GLY 4 2HA GLY 4 19.905 18.152 -25.377 17 H SER 5 H SER 5 19.132 16.095 -25.290 18 HA SER 5 HA SER 5 21.057 13.959 -25.160 19 HB2 SER 5 1HB SER 5 20.354 14.563 -22.771 20 HB3 SER 5 2HB SER 5 18.731 14.055 -23.194 21 HG SER 5 HG SER 5 19.602 11.929 -23.719 22 H SER 6 H SER 6 17.511 14.775 -25.007 23 HA SER 6 HA SER 6 15.798 14.059 -26.128 24 HB2 SER 6 1HB SER 6 17.991 13.742 -28.155 25 HB3 SER 6 2HB SER 6 16.453 12.989 -28.527 26 HG SER 6 HG SER 6 16.493 15.144 -29.345 27 H GLY 7 H GLY 7 14.648 12.301 -25.425 28 HA2 GLY 7 1HA GLY 7 14.331 9.895 -26.026 29 HA3 GLY 7 2HA GLY 7 15.993 9.668 -25.522 30 HA PRO 8 HA PRO 8 13.603 8.953 -21.788 31 HB2 PRO 8 1HB PRO 8 14.992 6.762 -20.928 32 HB3 PRO 8 2HB PRO 8 13.556 6.655 -21.927 33 HG2 PRO 8 1HG PRO 8 16.383 6.267 -22.698 34 HG3 PRO 8 2HG PRO 8 14.935 5.760 -23.545 35 HD2 PRO 8 1HD PRO 8 16.614 7.991 -24.200 36 HD3 PRO 8 2HD PRO 8 15.105 7.553 -24.974 37 H ILE 9 H ILE 9 14.350 11.021 -21.086 38 HA ILE 9 HA ILE 9 16.961 10.955 -19.835 39 HB ILE 9 HB ILE 9 14.922 13.130 -20.290 40 HG12 ILE 9 1HG1 ILE 9 17.664 13.287 -21.400 41 HG13 ILE 9 2HG1 ILE 9 16.657 12.019 -22.069 42 HG21 ILE 9 1HG2 ILE 9 17.685 13.559 -19.156 43 HG22 ILE 9 2HG2 ILE 9 16.325 14.702 -19.257 44 HG23 ILE 9 3HG2 ILE 9 16.255 13.334 -18.120 45 HD11 ILE 9 1HD1 ILE 9 14.870 13.670 -22.572 46 HD12 ILE 9 2HD1 ILE 9 15.868 14.962 -21.864 47 HD13 ILE 9 3HD1 ILE 9 16.405 14.133 -23.345 48 H THR 10 H THR 10 17.355 10.920 -17.638 49 HA THR 10 HA THR 10 16.911 10.249 -15.545 50 HB THR 10 HB THR 10 15.313 11.895 -14.396 51 HG1 THR 10 1HG THR 10 13.856 12.609 -15.913 52 HG21 THR 10 1HG2 THR 10 17.595 12.705 -14.633 53 HG22 THR 10 2HG2 THR 10 17.385 12.951 -16.383 54 HG23 THR 10 3HG2 THR 10 16.535 14.006 -15.227 55 H ASP 11 H ASP 11 14.628 10.115 -13.942 56 HA ASP 11 HA ASP 11 13.267 7.953 -15.328 57 HB2 ASP 11 1HB ASP 11 13.230 8.516 -12.336 58 HB3 ASP 11 2HB ASP 11 12.806 7.019 -13.143 59 H GLU 12 H GLU 12 11.556 9.154 -16.352 60 HA GLU 12 HA GLU 12 10.133 11.101 -14.843 61 HB2 GLU 12 1HB GLU 12 8.811 11.400 -16.882 62 HB3 GLU 12 2HB GLU 12 10.513 11.324 -17.294 63 HG2 GLU 12 1HG GLU 12 9.905 8.673 -17.490 64 HG3 GLU 12 2HG GLU 12 8.329 9.346 -17.859 65 H ARG 13 H ARG 13 9.778 9.247 -13.118 66 HA ARG 13 HA ARG 13 7.068 8.436 -13.495 67 HB2 ARG 13 1HB ARG 13 7.648 6.034 -12.722 68 HB3 ARG 13 2HB ARG 13 8.033 6.430 -14.385 69 HG2 ARG 13 1HG ARG 13 10.385 7.162 -13.329 70 HG3 ARG 13 2HG ARG 13 9.902 6.080 -12.037 71 HD2 ARG 13 1HD ARG 13 9.518 4.986 -14.790 72 HD3 ARG 13 2HD ARG 13 11.187 5.269 -14.339 73 HE ARG 13 HE ARG 13 11.037 3.564 -12.716 74 HH11 ARG 13 2HH2 ARG 13 7.833 4.345 -13.943 75 HH12 ARG 13 1HH2 ARG 13 7.074 2.982 -13.192 76 HH21 ARG 13 2HH1 ARG 13 10.036 1.766 -11.724 77 HH22 ARG 13 1HH1 ARG 13 8.335 1.505 -11.921 78 H VAL 14 H VAL 14 7.211 10.232 -11.774 79 HA VAL 14 HA VAL 14 7.300 8.966 -9.183 80 HB VAL 14 HB VAL 14 8.907 11.476 -9.567 81 HG11 VAL 14 1HG1 VAL 14 8.023 10.162 -7.318 82 HG12 VAL 14 2HG1 VAL 14 9.668 9.509 -7.513 83 HG13 VAL 14 3HG1 VAL 14 9.417 11.267 -7.386 84 HG21 VAL 14 1HG2 VAL 14 9.987 8.641 -9.717 85 HG22 VAL 14 2HG2 VAL 14 9.888 9.792 -11.070 86 HG23 VAL 14 3HG2 VAL 14 10.955 10.135 -9.687 87 H TYR 15 H TYR 15 5.418 10.253 -11.236 88 HA TYR 15 HA TYR 15 4.542 12.595 -9.740 89 HB2 TYR 15 1HB TYR 15 3.429 11.207 -12.252 90 HB3 TYR 15 2HB TYR 15 3.112 12.860 -11.766 91 HD1 TYR 15 1HD TYR 15 5.683 10.572 -13.135 92 HD2 TYR 15 2HD TYR 15 4.642 14.637 -12.302 93 HE1 TYR 15 1HE TYR 15 7.635 11.370 -14.556 94 HE2 TYR 15 2HE TYR 15 6.597 15.422 -13.725 95 HH TYR 15 HH TYR 15 9.036 13.994 -14.377 96 H GLU 16 H GLU 16 4.256 10.463 -8.083 97 HA GLU 16 HA GLU 16 2.773 9.529 -6.792 98 HB2 GLU 16 1HB GLU 16 1.170 11.514 -8.183 99 HB3 GLU 16 2HB GLU 16 0.202 10.082 -7.899 100 HG2 GLU 16 1HG GLU 16 0.400 10.232 -5.559 101 HG3 GLU 16 2HG GLU 16 1.911 11.117 -5.635 102 H SER 17 H SER 17 1.796 7.457 -6.664 103 HA SER 17 HA SER 17 2.267 5.765 -8.739 104 HB2 SER 17 1HB SER 17 0.092 5.326 -6.655 105 HB3 SER 17 2HB SER 17 1.047 4.102 -7.468 106 HG SER 17 HG SER 17 1.625 5.517 -5.181 107 H ILE 18 H ILE 18 1.059 4.954 -10.492 108 HA ILE 18 HA ILE 18 -1.428 6.406 -11.009 109 HB ILE 18 HB ILE 18 0.542 5.014 -12.820 110 HG12 ILE 18 1HG1 ILE 18 0.367 7.511 -13.767 111 HG13 ILE 18 2HG1 ILE 18 -0.048 7.850 -12.099 112 HG21 ILE 18 1HG2 ILE 18 -1.597 4.533 -13.745 113 HG22 ILE 18 2HG2 ILE 18 -2.171 6.193 -13.455 114 HG23 ILE 18 3HG2 ILE 18 -0.913 5.886 -14.677 115 HD11 ILE 18 1HD1 ILE 18 2.520 6.741 -13.230 116 HD12 ILE 18 2HD1 ILE 18 2.281 8.018 -12.013 117 HD13 ILE 18 3HD1 ILE 18 2.058 6.309 -11.566 118 H GLY 19 H GLY 19 -3.341 5.294 -11.626 119 HA2 GLY 19 1HA GLY 19 -3.831 2.900 -10.264 120 HA3 GLY 19 2HA GLY 19 -4.852 3.637 -11.483 121 H HIS 20 H HIS 20 -3.436 3.545 -13.827 122 HA HIS 20 HA HIS 20 -3.639 0.833 -14.507 123 HB2 HIS 20 1HB HIS 20 -3.787 3.145 -15.874 124 HB3 HIS 20 2HB HIS 20 -2.136 2.709 -16.267 125 HD1 HIS 20 1HD HIS 20 -5.604 2.046 -17.228 126 HD2 HIS 20 2HD HIS 20 -1.940 0.025 -17.520 127 HE1 HIS 20 1HE HIS 20 -5.927 0.232 -18.992 128 H TYR 21 H TYR 21 -2.259 -0.602 -13.515 129 HA TYR 21 HA TYR 21 0.586 0.099 -13.490 130 HB2 TYR 21 1HB TYR 21 -1.401 -1.453 -11.881 131 HB3 TYR 21 2HB TYR 21 0.083 -2.348 -12.142 132 HD1 TYR 21 1HD TYR 21 -1.055 1.061 -11.056 133 HD2 TYR 21 2HD TYR 21 1.829 -2.070 -10.630 134 HE1 TYR 21 1HE TYR 21 0.051 2.330 -9.150 135 HE2 TYR 21 2HE TYR 21 2.925 -0.791 -8.725 136 HH TYR 21 HH TYR 21 2.637 2.270 -8.212 137 H GLY 22 H GLY 22 1.805 -0.676 -15.135 138 HA2 GLY 22 1HA GLY 22 2.325 -1.908 -16.973 139 HA3 GLY 22 2HA GLY 22 2.289 -3.213 -15.803 140 H GLY 23 H GLY 23 0.944 -4.909 -16.233 141 HA2 GLY 23 1HA GLY 23 -1.329 -4.393 -18.057 142 HA3 GLY 23 2HA GLY 23 -0.346 -5.843 -18.095 143 H GLU 24 H GLU 24 -1.762 -3.959 -15.327 144 HA GLU 24 HA GLU 24 -3.505 -6.185 -14.789 145 HB2 GLU 24 1HB GLU 24 -2.735 -6.553 -12.527 146 HB3 GLU 24 2HB GLU 24 -1.342 -6.678 -13.583 147 HG2 GLU 24 1HG GLU 24 -1.577 -3.912 -12.860 148 HG3 GLU 24 2HG GLU 24 -1.792 -4.835 -11.386 149 H THR 25 H THR 25 -4.368 -5.372 -12.202 150 HA THR 25 HA THR 25 -5.110 -2.559 -12.549 151 HB THR 25 HB THR 25 -7.484 -3.600 -11.735 152 HG1 THR 25 1HG THR 25 -7.393 -5.780 -12.097 153 HG21 THR 25 1HG2 THR 25 -8.269 -3.228 -13.901 154 HG22 THR 25 2HG2 THR 25 -6.686 -2.429 -14.058 155 HG23 THR 25 3HG2 THR 25 -6.906 -4.094 -14.648 156 H VAL 26 H VAL 26 -4.734 -1.424 -10.757 157 HA VAL 26 HA VAL 26 -4.512 -2.965 -8.269 158 HB VAL 26 HB VAL 26 -3.217 -0.857 -7.568 159 HG11 VAL 26 1HG1 VAL 26 -2.259 -2.964 -9.500 160 HG12 VAL 26 2HG1 VAL 26 -1.146 -1.721 -8.880 161 HG13 VAL 26 3HG1 VAL 26 -1.970 -2.821 -7.750 162 HG21 VAL 26 1HG2 VAL 26 -2.537 -0.487 -10.449 163 HG22 VAL 26 2HG2 VAL 26 -4.062 0.225 -9.869 164 HG23 VAL 26 3HG2 VAL 26 -2.520 0.680 -9.105 165 H LYS 27 H LYS 27 -5.477 -2.107 -6.333 166 HA LYS 27 HA LYS 27 -7.693 -0.287 -6.951 167 HB2 LYS 27 1HB LYS 27 -8.407 -2.506 -6.257 168 HB3 LYS 27 2HB LYS 27 -7.413 -2.423 -4.818 169 HG2 LYS 27 1HG LYS 27 -8.891 -0.082 -4.605 170 HG3 LYS 27 2HG LYS 27 -10.044 -1.155 -5.373 171 HD2 LYS 27 1HD LYS 27 -9.309 -2.891 -3.530 172 HD3 LYS 27 2HD LYS 27 -8.652 -1.496 -2.696 173 HE2 LYS 27 1HE LYS 27 -10.732 -1.119 -1.866 174 HE3 LYS 27 2HE LYS 27 -11.221 -0.647 -3.481 175 HZ1 LYS 27 1HZ LYS 27 -12.576 -2.422 -2.572 176 HZ2 LYS 27 2HZ LYS 27 -11.812 -2.909 -3.930 177 HZ3 LYS 27 3HZ LYS 27 -11.277 -3.406 -2.469 178 H ILE 28 H ILE 28 -7.655 1.730 -6.113 179 HA ILE 28 HA ILE 28 -5.582 2.270 -4.127 180 HB ILE 28 HB ILE 28 -7.157 4.118 -5.923 181 HG12 ILE 28 1HG1 ILE 28 -4.630 4.380 -6.763 182 HG13 ILE 28 2HG1 ILE 28 -4.530 2.727 -6.192 183 HG21 ILE 28 1HG2 ILE 28 -6.613 5.661 -4.394 184 HG22 ILE 28 2HG2 ILE 28 -5.415 4.607 -3.605 185 HG23 ILE 28 3HG2 ILE 28 -4.971 5.521 -5.066 186 HD11 ILE 28 1HD1 ILE 28 -5.728 1.952 -7.956 187 HD12 ILE 28 2HD1 ILE 28 -7.005 3.166 -7.703 188 HD13 ILE 28 3HD1 ILE 28 -5.564 3.577 -8.664 189 H VAL 29 H VAL 29 -6.048 2.914 -2.057 190 HA VAL 29 HA VAL 29 -8.805 3.646 -1.465 191 HB VAL 29 HB VAL 29 -8.356 2.070 0.641 192 HG11 VAL 29 1HG1 VAL 29 -9.452 1.171 -2.045 193 HG12 VAL 29 2HG1 VAL 29 -9.734 0.343 -0.495 194 HG13 VAL 29 3HG1 VAL 29 -10.348 1.994 -0.746 195 HG21 VAL 29 1HG2 VAL 29 -6.155 1.399 -0.800 196 HG22 VAL 29 2HG2 VAL 29 -6.963 0.308 0.352 197 HG23 VAL 29 3HG2 VAL 29 -7.310 0.179 -1.389 198 H ARG 30 H ARG 30 -8.718 5.551 -0.405 199 HA ARG 30 HA ARG 30 -6.223 6.252 0.827 200 HB2 ARG 30 1HB ARG 30 -8.634 7.687 -0.181 201 HB3 ARG 30 2HB ARG 30 -7.940 8.395 1.264 202 HG2 ARG 30 1HG ARG 30 -5.735 8.578 0.185 203 HG3 ARG 30 2HG ARG 30 -6.309 7.710 -1.225 204 HD2 ARG 30 1HD ARG 30 -7.109 9.629 -2.141 205 HD3 ARG 30 2HD ARG 30 -8.104 9.933 -0.731 206 HE ARG 30 HE ARG 30 -5.492 10.625 0.045 207 HH11 ARG 30 2HH2 ARG 30 -7.779 11.654 -2.423 208 HH12 ARG 30 1HH2 ARG 30 -7.172 13.275 -2.491 209 HH21 ARG 30 2HH1 ARG 30 -4.691 12.763 -0.044 210 HH22 ARG 30 1HH1 ARG 30 -5.404 13.910 -1.128 211 H ILE 31 H ILE 31 -5.890 5.741 2.968 212 HA ILE 31 HA ILE 31 -8.267 5.633 4.689 213 HB ILE 31 HB ILE 31 -5.699 4.085 4.645 214 HG12 ILE 31 1HG1 ILE 31 -8.629 3.320 4.790 215 HG13 ILE 31 2HG1 ILE 31 -7.574 3.168 3.399 216 HG21 ILE 31 1HG2 ILE 31 -5.968 4.999 6.932 217 HG22 ILE 31 2HG2 ILE 31 -7.579 4.246 7.015 218 HG23 ILE 31 3HG2 ILE 31 -6.128 3.227 6.860 219 HD11 ILE 31 1HD1 ILE 31 -7.654 0.990 4.408 220 HD12 ILE 31 2HD1 ILE 31 -6.068 1.667 4.850 221 HD13 ILE 31 3HD1 ILE 31 -7.394 1.658 6.037 222 H GLU 32 H GLU 32 -8.374 6.921 6.502 223 HA GLU 32 HA GLU 32 -6.261 8.884 6.675 224 HB2 GLU 32 1HB GLU 32 -9.070 8.758 7.845 225 HB3 GLU 32 2HB GLU 32 -7.938 10.038 8.234 226 HG2 GLU 32 1HG GLU 32 -7.704 10.321 5.627 227 HG3 GLU 32 2HG GLU 32 -9.184 9.386 5.541 228 H LYS 33 H LYS 33 -4.662 8.688 8.179 229 HA LYS 33 HA LYS 33 -5.325 7.191 10.618 230 HB2 LYS 33 1HB LYS 33 -3.011 6.906 8.739 231 HB3 LYS 33 2HB LYS 33 -2.726 6.668 10.452 232 HG2 LYS 33 1HG LYS 33 -4.273 4.854 10.588 233 HG3 LYS 33 2HG LYS 33 -5.066 5.294 9.089 234 HD2 LYS 33 1HD LYS 33 -3.650 3.332 8.700 235 HD3 LYS 33 2HD LYS 33 -2.994 4.696 7.817 236 HE2 LYS 33 1HE LYS 33 -1.999 4.144 10.625 237 HE3 LYS 33 2HE LYS 33 -1.401 3.164 9.301 238 HZ1 LYS 33 1HZ LYS 33 -0.876 5.903 9.895 239 HZ2 LYS 33 2HZ LYS 33 0.018 4.832 9.047 240 HZ3 LYS 33 3HZ LYS 33 -1.201 5.636 8.318 241 H ALA 34 H ALA 34 -5.236 8.453 12.390 242 HA ALA 34 HA ALA 34 -4.366 11.097 12.285 243 HB1 ALA 34 1HB ALA 34 -4.864 11.123 14.622 244 HB2 ALA 34 2HB ALA 34 -6.010 9.975 13.890 245 HB3 ALA 34 3HB ALA 34 -4.588 9.371 14.774 246 H ARG 35 H ARG 35 -2.633 11.968 13.922 247 HA ARG 35 HA ARG 35 -0.200 10.851 13.060 248 HB2 ARG 35 1HB ARG 35 -0.739 12.997 15.175 249 HB3 ARG 35 2HB ARG 35 0.823 12.672 14.449 250 HG2 ARG 35 1HG ARG 35 -0.475 13.057 12.159 251 HG3 ARG 35 2HG ARG 35 -1.643 13.882 13.172 252 HD2 ARG 35 1HD ARG 35 1.286 14.570 13.495 253 HD3 ARG 35 2HD ARG 35 0.427 15.204 12.105 254 HE ARG 35 HE ARG 35 -1.032 15.602 14.608 255 HH11 ARG 35 2HH2 ARG 35 1.461 16.920 12.504 256 HH12 ARG 35 1HH2 ARG 35 1.277 18.540 13.087 257 HH21 ARG 35 2HH1 ARG 35 -1.276 17.740 15.378 258 HH22 ARG 35 1HH1 ARG 35 -0.291 19.010 14.733 259 H ASP 36 H ASP 36 -2.345 9.785 15.355 260 HA ASP 36 HA ASP 36 -0.222 8.461 16.784 261 HB2 ASP 36 1HB ASP 36 -1.535 8.852 18.964 262 HB3 ASP 36 2HB ASP 36 -0.629 10.218 18.343 263 H ILE 37 H ILE 37 -2.147 7.668 14.700 264 HA ILE 37 HA ILE 37 -3.874 5.879 16.266 265 HB ILE 37 HB ILE 37 -4.377 7.508 13.830 266 HG12 ILE 37 1HG1 ILE 37 -5.230 7.807 16.312 267 HG13 ILE 37 2HG1 ILE 37 -6.249 8.192 14.940 268 HG21 ILE 37 1HG2 ILE 37 -5.479 4.730 14.270 269 HG22 ILE 37 2HG2 ILE 37 -6.309 5.956 13.282 270 HG23 ILE 37 3HG2 ILE 37 -4.683 5.395 12.824 271 HD11 ILE 37 1HD1 ILE 37 -7.455 6.113 15.112 272 HD12 ILE 37 2HD1 ILE 37 -6.259 5.440 16.246 273 HD13 ILE 37 3HD1 ILE 37 -7.335 6.759 16.766 274 HA PRO 38 HA PRO 38 -1.400 2.834 14.392 275 HB2 PRO 38 1HB PRO 38 -2.593 0.644 15.509 276 HB3 PRO 38 2HB PRO 38 -1.353 1.579 16.322 277 HG2 PRO 38 1HG PRO 38 -4.268 1.540 16.816 278 HG3 PRO 38 2HG PRO 38 -2.984 2.118 17.861 279 HD2 PRO 38 1HD PRO 38 -4.776 3.721 16.296 280 HD3 PRO 38 2HD PRO 38 -3.420 4.291 17.249 281 H LEU 39 H LEU 39 -1.476 0.978 12.905 282 HA LEU 39 HA LEU 39 -3.479 1.534 10.970 283 HB2 LEU 39 1HB LEU 39 -1.148 0.899 10.459 284 HB3 LEU 39 2HB LEU 39 -1.450 -0.700 11.111 285 HG LEU 39 HG LEU 39 -3.146 -1.100 9.363 286 HD11 LEU 39 1HD1 LEU 39 -2.334 1.641 8.360 287 HD12 LEU 39 2HD1 LEU 39 -3.301 0.462 7.441 288 HD13 LEU 39 3HD1 LEU 39 -3.934 1.141 8.960 289 HD21 LEU 39 1HD2 LEU 39 -0.284 -0.592 8.817 290 HD22 LEU 39 2HD2 LEU 39 -1.266 -2.058 8.578 291 HD23 LEU 39 3HD2 LEU 39 -1.332 -0.738 7.385 292 H GLY 40 H GLY 40 -2.769 -1.260 13.170 293 HA2 GLY 40 1HA GLY 40 -4.184 -2.742 14.117 294 HA3 GLY 40 2HA GLY 40 -5.541 -1.779 13.566 295 H ALA 41 H ALA 41 -2.940 -3.151 11.483 296 HA ALA 41 HA ALA 41 -4.777 -5.200 10.539 297 HB1 ALA 41 1HB ALA 41 -4.325 -4.480 8.164 298 HB2 ALA 41 2HB ALA 41 -5.323 -3.337 9.095 299 HB3 ALA 41 3HB ALA 41 -3.600 -2.989 8.811 300 H THR 42 H THR 42 -3.655 -7.078 10.489 301 HA THR 42 HA THR 42 -0.757 -6.942 10.568 302 HB THR 42 HB THR 42 -2.443 -9.467 10.601 303 HG1 THR 42 1HG THR 42 -1.937 -7.543 12.759 304 HG21 THR 42 1HG2 THR 42 -0.795 -9.767 12.648 305 HG22 THR 42 2HG2 THR 42 -0.154 -9.983 11.002 306 HG23 THR 42 3HG2 THR 42 0.128 -8.457 11.874 307 H VAL 43 H VAL 43 0.649 -8.062 9.127 308 HA VAL 43 HA VAL 43 -0.570 -8.924 6.627 309 HB VAL 43 HB VAL 43 0.713 -7.499 5.272 310 HG11 VAL 43 1HG1 VAL 43 -1.298 -6.518 6.610 311 HG12 VAL 43 2HG1 VAL 43 -0.051 -5.570 7.456 312 HG13 VAL 43 3HG1 VAL 43 -0.241 -5.418 5.693 313 HG21 VAL 43 1HG2 VAL 43 2.261 -5.748 6.446 314 HG22 VAL 43 2HG2 VAL 43 2.275 -6.927 7.780 315 HG23 VAL 43 3HG2 VAL 43 2.854 -7.403 6.165 316 H ARG 44 H ARG 44 0.662 -10.502 5.530 317 HA ARG 44 HA ARG 44 2.801 -11.542 7.184 318 HB2 ARG 44 1HB ARG 44 2.452 -13.650 5.789 319 HB3 ARG 44 2HB ARG 44 1.062 -13.177 6.746 320 HG2 ARG 44 1HG ARG 44 0.961 -11.841 4.158 321 HG3 ARG 44 2HG ARG 44 1.180 -13.563 3.918 322 HD2 ARG 44 1HD ARG 44 -0.740 -13.748 5.777 323 HD3 ARG 44 2HD ARG 44 -1.107 -12.113 5.265 324 HE ARG 44 HE ARG 44 -2.053 -13.014 3.339 325 HH11 ARG 44 2HH2 ARG 44 0.384 -15.257 4.527 326 HH12 ARG 44 1HH2 ARG 44 0.074 -16.443 3.303 327 HH21 ARG 44 2HH1 ARG 44 -2.463 -14.578 1.724 328 HH22 ARG 44 1HH1 ARG 44 -1.556 -16.054 1.698 329 H ASN 45 H ASN 45 4.642 -12.687 5.860 330 HA ASN 45 HA ASN 45 5.447 -10.790 3.836 331 HB2 ASN 45 1HB ASN 45 6.802 -12.516 5.819 332 HB3 ASN 45 2HB ASN 45 7.544 -12.643 4.236 333 HD21 ASN 45 1HD2 ASN 45 7.208 -10.184 3.160 334 HD22 ASN 45 2HD2 ASN 45 8.068 -8.975 4.055 335 H GLU 46 H GLU 46 4.529 -11.473 1.850 336 HA GLU 46 HA GLU 46 4.373 -14.260 1.273 337 HB2 GLU 46 1HB GLU 46 3.112 -11.858 0.357 338 HB3 GLU 46 2HB GLU 46 3.873 -12.590 -1.041 339 HG2 GLU 46 1HG GLU 46 1.947 -13.979 0.882 340 HG3 GLU 46 2HG GLU 46 1.573 -13.457 -0.749 341 H MET 47 H MET 47 5.208 -15.078 -0.948 342 HA MET 47 HA MET 47 7.676 -15.489 -1.152 343 HB2 MET 47 1HB MET 47 5.940 -14.389 -3.420 344 HB3 MET 47 2HB MET 47 7.528 -15.061 -3.733 345 HG2 MET 47 1HG MET 47 5.781 -16.778 -2.031 346 HG3 MET 47 2HG MET 47 5.190 -16.537 -3.662 347 HE1 MET 47 1HE MET 47 5.612 -19.136 -2.786 348 HE2 MET 47 2HE MET 47 7.003 -20.035 -3.439 349 HE3 MET 47 3HE MET 47 7.125 -19.234 -1.854 350 H ASP 48 H ASP 48 6.473 -12.356 -2.572 351 HA ASP 48 HA ASP 48 8.837 -11.085 -1.569 352 HB2 ASP 48 1HB ASP 48 8.164 -10.958 -4.543 353 HB3 ASP 48 2HB ASP 48 9.517 -10.175 -3.751 354 H SER 49 H SER 49 5.769 -11.102 -1.360 355 HA SER 49 HA SER 49 5.434 -8.272 -1.942 356 HB2 SER 49 1HB SER 49 3.468 -10.521 -2.532 357 HB3 SER 49 2HB SER 49 2.971 -8.843 -2.442 358 HG SER 49 HG SER 49 5.138 -9.680 -4.155 359 H VAL 50 H VAL 50 3.857 -7.189 -0.486 360 HA VAL 50 HA VAL 50 3.712 -8.602 2.073 361 HB VAL 50 HB VAL 50 3.506 -5.663 1.386 362 HG11 VAL 50 1HG1 VAL 50 2.750 -7.129 3.755 363 HG12 VAL 50 2HG1 VAL 50 4.107 -6.037 4.123 364 HG13 VAL 50 3HG1 VAL 50 2.610 -5.388 3.410 365 HG21 VAL 50 1HG2 VAL 50 5.759 -6.447 1.017 366 HG22 VAL 50 2HG2 VAL 50 5.721 -5.519 2.535 367 HG23 VAL 50 3HG2 VAL 50 5.768 -7.298 2.580 368 H ILE 51 H ILE 51 1.848 -9.840 1.955 369 HA ILE 51 HA ILE 51 -0.574 -8.460 1.076 370 HB ILE 51 HB ILE 51 0.238 -11.337 1.314 371 HG12 ILE 51 1HG1 ILE 51 -0.636 -11.365 -1.034 372 HG13 ILE 51 2HG1 ILE 51 -0.900 -9.636 -0.923 373 HG21 ILE 51 1HG2 ILE 51 -2.590 -10.269 1.136 374 HG22 ILE 51 2HG2 ILE 51 -2.119 -11.943 0.754 375 HG23 ILE 51 3HG2 ILE 51 -1.896 -11.309 2.402 376 HD11 ILE 51 1HD1 ILE 51 1.462 -10.851 -1.741 377 HD12 ILE 51 2HD1 ILE 51 1.313 -9.164 -1.193 378 HD13 ILE 51 3HD1 ILE 51 1.809 -10.432 -0.046 379 H ILE 52 H ILE 52 -2.566 -8.745 2.392 380 HA ILE 52 HA ILE 52 -1.997 -8.135 5.101 381 HB ILE 52 HB ILE 52 -4.639 -8.715 3.758 382 HG12 ILE 52 1HG1 ILE 52 -3.264 -6.945 2.628 383 HG13 ILE 52 2HG1 ILE 52 -4.817 -6.406 3.236 384 HG21 ILE 52 1HG2 ILE 52 -5.686 -8.093 5.637 385 HG22 ILE 52 2HG2 ILE 52 -4.142 -8.474 6.437 386 HG23 ILE 52 3HG2 ILE 52 -4.518 -6.795 5.981 387 HD11 ILE 52 1HD1 ILE 52 -2.742 -6.138 5.290 388 HD12 ILE 52 2HD1 ILE 52 -2.310 -5.261 3.803 389 HD13 ILE 52 3HD1 ILE 52 -3.844 -4.905 4.632 390 H SER 53 H SER 53 -2.464 -9.339 6.997 391 HA SER 53 HA SER 53 -2.729 -12.190 6.441 392 HB2 SER 53 1HB SER 53 -0.952 -12.553 7.787 393 HB3 SER 53 2HB SER 53 -0.695 -10.820 7.816 394 HG SER 53 HG SER 53 -1.979 -12.496 9.746 395 H ARG 54 H ARG 54 -3.540 -9.493 8.714 396 HA ARG 54 HA ARG 54 -6.082 -10.714 9.136 397 HB2 ARG 54 1HB ARG 54 -4.819 -11.841 10.908 398 HB3 ARG 54 2HB ARG 54 -4.091 -10.333 11.424 399 HG2 ARG 54 1HG ARG 54 -6.232 -9.475 12.216 400 HG3 ARG 54 2HG ARG 54 -7.105 -10.803 11.477 401 HD2 ARG 54 1HD ARG 54 -5.200 -12.081 13.124 402 HD3 ARG 54 2HD ARG 54 -5.720 -10.703 14.074 403 HE ARG 54 HE ARG 54 -7.256 -13.053 13.607 404 HH11 ARG 54 2HH2 ARG 54 -7.676 -9.559 13.557 405 HH12 ARG 54 1HH2 ARG 54 -9.362 -9.628 13.948 406 HH21 ARG 54 2HH1 ARG 54 -9.481 -13.144 14.122 407 HH22 ARG 54 1HH1 ARG 54 -10.396 -11.681 14.271 408 H ILE 55 H ILE 55 -7.536 -9.192 10.473 409 HA ILE 55 HA ILE 55 -6.547 -6.434 10.252 410 HB ILE 55 HB ILE 55 -9.281 -7.531 9.594 411 HG12 ILE 55 1HG1 ILE 55 -7.774 -7.941 7.791 412 HG13 ILE 55 2HG1 ILE 55 -8.775 -6.574 7.343 413 HG21 ILE 55 1HG2 ILE 55 -8.921 -5.157 10.805 414 HG22 ILE 55 2HG2 ILE 55 -8.647 -4.672 9.115 415 HG23 ILE 55 3HG2 ILE 55 -10.176 -5.456 9.580 416 HD11 ILE 55 1HD1 ILE 55 -5.851 -6.673 7.936 417 HD12 ILE 55 2HD1 ILE 55 -6.750 -5.627 6.811 418 HD13 ILE 55 3HD1 ILE 55 -6.716 -5.243 8.549 419 H VAL 56 H VAL 56 -6.537 -5.318 12.132 420 HA VAL 56 HA VAL 56 -7.765 -6.599 14.426 421 HB VAL 56 HB VAL 56 -6.084 -4.094 14.319 422 HG11 VAL 56 1HG1 VAL 56 -7.438 -4.757 16.406 423 HG12 VAL 56 2HG1 VAL 56 -6.282 -6.101 16.570 424 HG13 VAL 56 3HG1 VAL 56 -5.703 -4.419 16.617 425 HG21 VAL 56 1HG2 VAL 56 -4.472 -6.237 15.168 426 HG22 VAL 56 2HG2 VAL 56 -5.311 -6.820 13.710 427 HG23 VAL 56 3HG2 VAL 56 -4.348 -5.325 13.644 428 H LYS 57 H LYS 57 -9.327 -5.582 15.780 429 HA LYS 57 HA LYS 57 -11.102 -3.876 14.317 430 HB2 LYS 57 1HB LYS 57 -12.201 -5.509 15.562 431 HB3 LYS 57 2HB LYS 57 -11.164 -5.305 16.959 432 HG2 LYS 57 1HG LYS 57 -13.269 -4.278 17.525 433 HG3 LYS 57 2HG LYS 57 -12.141 -2.965 17.250 434 HD2 LYS 57 1HD LYS 57 -13.574 -2.122 15.710 435 HD3 LYS 57 2HD LYS 57 -13.240 -3.511 14.695 436 HE2 LYS 57 1HE LYS 57 -15.050 -4.788 15.944 437 HE3 LYS 57 2HE LYS 57 -15.432 -3.316 16.815 438 HZ1 LYS 57 1HZ LYS 57 -16.207 -4.056 14.238 439 HZ2 LYS 57 2HZ LYS 57 -16.679 -2.757 15.109 440 HZ3 LYS 57 3HZ LYS 57 -15.364 -2.660 14.146 441 H GLY 58 H GLY 58 -11.805 -1.748 14.976 442 HA2 GLY 58 1HA GLY 58 -11.551 0.318 15.847 443 HA3 GLY 58 2HA GLY 58 -10.499 -0.345 17.082 444 H GLY 59 H GLY 59 -9.381 -1.385 14.037 445 HA2 GLY 59 1HA GLY 59 -7.147 0.467 14.166 446 HA3 GLY 59 2HA GLY 59 -7.308 -0.953 13.153 447 H ALA 60 H ALA 60 -6.445 1.770 12.363 448 HA ALA 60 HA ALA 60 -8.462 3.210 11.125 449 HB1 ALA 60 1HB ALA 60 -6.430 4.323 11.300 450 HB2 ALA 60 2HB ALA 60 -5.486 2.903 10.789 451 HB3 ALA 60 3HB ALA 60 -6.403 3.842 9.586 452 H ALA 61 H ALA 61 -6.774 0.219 10.200 453 HA ALA 61 HA ALA 61 -7.500 0.271 7.479 454 HB1 ALA 61 1HB ALA 61 -5.790 -1.182 8.964 455 HB2 ALA 61 2HB ALA 61 -7.158 -2.321 8.933 456 HB3 ALA 61 3HB ALA 61 -6.431 -1.761 7.408 457 H GLU 62 H GLU 62 -8.878 -1.546 10.315 458 HA GLU 62 HA GLU 62 -11.023 -2.546 8.892 459 HB2 GLU 62 1HB GLU 62 -10.524 -3.605 10.949 460 HB3 GLU 62 2HB GLU 62 -10.463 -2.093 11.832 461 HG2 GLU 62 1HG GLU 62 -12.791 -1.923 11.999 462 HG3 GLU 62 2HG GLU 62 -13.076 -2.824 10.523 463 H LYS 63 H LYS 63 -10.836 0.311 11.136 464 HA LYS 63 HA LYS 63 -13.365 1.185 11.084 465 HB2 LYS 63 1HB LYS 63 -10.826 2.828 10.873 466 HB3 LYS 63 2HB LYS 63 -12.400 3.498 11.252 467 HG2 LYS 63 1HG LYS 63 -12.018 1.217 12.963 468 HG3 LYS 63 2HG LYS 63 -10.540 2.157 13.019 469 HD2 LYS 63 1HD LYS 63 -11.802 4.195 13.609 470 HD3 LYS 63 2HD LYS 63 -13.324 3.349 13.417 471 HE2 LYS 63 1HE LYS 63 -11.277 2.236 15.348 472 HE3 LYS 63 2HE LYS 63 -12.218 3.634 15.831 473 HZ1 LYS 63 1HZ LYS 63 -13.142 1.342 16.306 474 HZ2 LYS 63 2HZ LYS 63 -14.169 2.442 15.670 475 HZ3 LYS 63 3HZ LYS 63 -13.535 1.273 14.722 476 H SER 64 H SER 64 -10.927 2.402 8.674 477 HA SER 64 HA SER 64 -12.823 3.532 7.042 478 HB2 SER 64 1HB SER 64 -11.022 3.537 5.312 479 HB3 SER 64 2HB SER 64 -10.453 4.095 6.873 480 HG SER 64 HG SER 64 -10.170 1.358 5.977 481 H GLY 65 H GLY 65 -11.516 0.202 7.219 482 HA2 GLY 65 1HA GLY 65 -12.264 -1.727 6.333 483 HA3 GLY 65 2HA GLY 65 -13.747 -0.908 5.887 484 H LEU 66 H LEU 66 -10.326 -0.236 4.883 485 HA LEU 66 HA LEU 66 -11.209 -0.712 2.121 486 HB2 LEU 66 1HB LEU 66 -8.950 1.115 2.855 487 HB3 LEU 66 2HB LEU 66 -9.894 1.053 1.380 488 HG LEU 66 HG LEU 66 -10.912 2.013 4.069 489 HD11 LEU 66 1HD1 LEU 66 -9.244 3.329 2.225 490 HD12 LEU 66 2HD1 LEU 66 -10.869 4.016 1.995 491 HD13 LEU 66 3HD1 LEU 66 -10.117 4.032 3.608 492 HD21 LEU 66 1HD2 LEU 66 -12.348 2.561 1.511 493 HD22 LEU 66 2HD2 LEU 66 -12.489 0.937 2.225 494 HD23 LEU 66 3HD2 LEU 66 -12.974 2.368 3.166 495 H LEU 67 H LEU 67 -9.603 -2.111 4.631 496 HA LEU 67 HA LEU 67 -7.709 -3.385 2.786 497 HB2 LEU 67 1HB LEU 67 -7.210 -2.642 5.672 498 HB3 LEU 67 2HB LEU 67 -6.142 -3.608 4.674 499 HG LEU 67 HG LEU 67 -6.905 -0.869 3.723 500 HD11 LEU 67 1HD1 LEU 67 -4.870 -0.003 4.983 501 HD12 LEU 67 2HD1 LEU 67 -6.342 -0.301 5.938 502 HD13 LEU 67 3HD1 LEU 67 -4.998 -1.467 5.988 503 HD21 LEU 67 1HD2 LEU 67 -4.136 -1.540 3.443 504 HD22 LEU 67 2HD2 LEU 67 -5.124 -2.917 2.900 505 HD23 LEU 67 3HD2 LEU 67 -5.373 -1.306 2.184 506 H HIS 68 H HIS 68 -7.930 -5.563 2.645 507 HA HIS 68 HA HIS 68 -9.287 -6.888 4.865 508 HB2 HIS 68 1HB HIS 68 -10.114 -6.803 1.990 509 HB3 HIS 68 2HB HIS 68 -10.334 -8.303 2.869 510 HD1 HIS 68 1HD HIS 68 -12.694 -8.461 3.645 511 HD2 HIS 68 2HD HIS 68 -11.210 -4.548 3.933 512 HE1 HIS 68 1HE HIS 68 -14.570 -7.057 4.655 513 H GLU 69 H GLU 69 -8.841 -9.243 4.956 514 HA GLU 69 HA GLU 69 -6.148 -9.728 4.573 515 HB2 GLU 69 1HB GLU 69 -8.428 -11.712 4.991 516 HB3 GLU 69 2HB GLU 69 -6.728 -12.085 5.193 517 HG2 GLU 69 1HG GLU 69 -6.509 -10.530 7.043 518 HG3 GLU 69 2HG GLU 69 -8.080 -9.822 6.722 519 H GLY 70 H GLY 70 -4.975 -10.378 2.813 520 HA2 GLY 70 1HA GLY 70 -4.788 -11.962 0.997 521 HA3 GLY 70 2HA GLY 70 -6.459 -11.636 0.585 522 H ASP 71 H ASP 71 -5.611 -8.641 1.479 523 HA ASP 71 HA ASP 71 -5.327 -7.773 -1.166 524 HB2 ASP 71 1HB ASP 71 -5.731 -6.628 1.477 525 HB3 ASP 71 2HB ASP 71 -4.491 -5.711 0.645 526 H GLU 72 H GLU 72 -3.426 -7.087 -2.277 527 HA GLU 72 HA GLU 72 -0.955 -7.643 -0.845 528 HB2 GLU 72 1HB GLU 72 -1.123 -9.006 -2.806 529 HB3 GLU 72 2HB GLU 72 -1.692 -7.674 -3.791 530 HG2 GLU 72 1HG GLU 72 0.457 -6.648 -3.879 531 HG3 GLU 72 2HG GLU 72 1.039 -7.525 -2.477 532 H VAL 73 H VAL 73 0.381 -5.969 -0.292 533 HA VAL 73 HA VAL 73 -0.366 -3.325 -1.199 534 HB VAL 73 HB VAL 73 1.804 -4.170 0.726 535 HG11 VAL 73 1HG1 VAL 73 1.760 -1.805 -0.272 536 HG12 VAL 73 2HG1 VAL 73 0.277 -1.561 0.681 537 HG13 VAL 73 3HG1 VAL 73 1.809 -1.945 1.502 538 HG21 VAL 73 1HG2 VAL 73 0.006 -5.059 1.836 539 HG22 VAL 73 2HG2 VAL 73 -0.113 -3.373 2.393 540 HG23 VAL 73 3HG2 VAL 73 -1.159 -3.951 1.074 541 H LEU 74 H LEU 74 0.776 -2.070 -2.636 542 HA LEU 74 HA LEU 74 3.270 -3.252 -3.642 543 HB2 LEU 74 1HB LEU 74 1.183 -1.787 -5.260 544 HB3 LEU 74 2HB LEU 74 2.683 -2.467 -5.858 545 HG LEU 74 HG LEU 74 0.416 -4.083 -4.661 546 HD11 LEU 74 1HD1 LEU 74 0.745 -4.694 -7.393 547 HD12 LEU 74 2HD1 LEU 74 -0.631 -3.886 -6.605 548 HD13 LEU 74 3HD1 LEU 74 0.703 -2.918 -7.276 549 HD21 LEU 74 1HD2 LEU 74 1.616 -6.020 -5.628 550 HD22 LEU 74 2HD2 LEU 74 2.962 -4.939 -6.063 551 HD23 LEU 74 3HD2 LEU 74 2.540 -5.191 -4.352 552 H GLU 75 H GLU 75 1.310 -0.195 -3.487 553 HA GLU 75 HA GLU 75 3.768 1.127 -2.696 554 HB2 GLU 75 1HB GLU 75 2.558 1.422 -5.263 555 HB3 GLU 75 2HB GLU 75 2.202 2.898 -4.386 556 HG2 GLU 75 1HG GLU 75 4.613 3.181 -3.841 557 HG3 GLU 75 2HG GLU 75 4.990 1.675 -4.653 558 H ILE 76 H ILE 76 3.462 2.879 -1.236 559 HA ILE 76 HA ILE 76 0.680 3.466 -0.547 560 HB ILE 76 HB ILE 76 2.858 2.549 1.321 561 HG12 ILE 76 1HG1 ILE 76 0.092 1.534 0.635 562 HG13 ILE 76 2HG1 ILE 76 1.627 0.724 0.393 563 HG21 ILE 76 1HG2 ILE 76 2.066 3.798 2.970 564 HG22 ILE 76 2HG2 ILE 76 0.972 4.603 1.820 565 HG23 ILE 76 3HG2 ILE 76 0.426 3.159 2.705 566 HD11 ILE 76 1HD1 ILE 76 1.381 -0.230 2.430 567 HD12 ILE 76 2HD1 ILE 76 1.555 1.386 3.158 568 HD13 ILE 76 3HD1 ILE 76 -0.062 0.759 2.758 569 H ASN 77 H ASN 77 0.557 5.556 -1.237 570 HA ASN 77 HA ASN 77 0.826 7.720 -1.058 571 HB2 ASN 77 1HB ASN 77 2.155 6.904 1.269 572 HB3 ASN 77 2HB ASN 77 3.397 7.817 0.436 573 HD21 ASN 77 1HD2 ASN 77 1.309 8.134 2.766 574 HD22 ASN 77 2HD2 ASN 77 0.753 9.765 2.593 575 H GLY 78 H GLY 78 2.827 5.446 -2.403 576 HA2 GLY 78 1HA GLY 78 3.777 6.150 -4.562 577 HA3 GLY 78 2HA GLY 78 4.566 7.458 -3.704 578 H ILE 79 H ILE 79 4.999 5.623 -1.270 579 HA ILE 79 HA ILE 79 7.559 4.699 -2.090 580 HB ILE 79 HB ILE 79 6.014 4.395 0.486 581 HG12 ILE 79 1HG1 ILE 79 8.186 6.103 0.860 582 HG13 ILE 79 2HG1 ILE 79 7.554 6.572 -0.705 583 HG21 ILE 79 1HG2 ILE 79 7.909 2.690 -0.086 584 HG22 ILE 79 2HG2 ILE 79 8.988 4.060 0.271 585 HG23 ILE 79 3HG2 ILE 79 7.859 3.470 1.513 586 HD11 ILE 79 1HD1 ILE 79 6.372 6.925 1.971 587 HD12 ILE 79 2HD1 ILE 79 6.011 7.778 0.451 588 HD13 ILE 79 3HD1 ILE 79 5.230 6.217 0.803 589 H GLU 80 H GLU 80 8.285 2.619 -2.509 590 HA GLU 80 HA GLU 80 6.289 0.824 -3.368 591 HB2 GLU 80 1HB GLU 80 9.204 1.099 -3.555 592 HB3 GLU 80 2HB GLU 80 8.738 -0.570 -3.293 593 HG2 GLU 80 1HG GLU 80 7.857 -0.769 -5.388 594 HG3 GLU 80 2HG GLU 80 6.983 0.745 -5.256 595 H ILE 81 H ILE 81 5.980 -1.418 -2.603 596 HA ILE 81 HA ILE 81 6.774 -1.754 0.202 597 HB ILE 81 HB ILE 81 4.066 -2.206 -1.045 598 HG12 ILE 81 1HG1 ILE 81 4.939 0.104 -0.112 599 HG13 ILE 81 2HG1 ILE 81 3.300 -0.441 0.182 600 HG21 ILE 81 1HG2 ILE 81 3.578 -2.869 1.462 601 HG22 ILE 81 2HG2 ILE 81 4.148 -4.071 0.279 602 HG23 ILE 81 3HG2 ILE 81 5.294 -3.345 1.432 603 HD11 ILE 81 1HD1 ILE 81 3.745 -1.033 2.423 604 HD12 ILE 81 2HD1 ILE 81 5.496 -1.178 2.136 605 HD13 ILE 81 3HD1 ILE 81 4.735 0.430 2.204 606 H ARG 82 H ARG 82 5.715 -3.269 -2.897 607 HA ARG 82 HA ARG 82 6.010 -5.852 -2.286 608 HB2 ARG 82 1HB ARG 82 5.279 -5.206 -4.499 609 HB3 ARG 82 2HB ARG 82 6.762 -4.328 -4.817 610 HG2 ARG 82 1HG ARG 82 7.761 -6.193 -5.633 611 HG3 ARG 82 2HG ARG 82 7.434 -7.071 -4.151 612 HD2 ARG 82 1HD ARG 82 6.153 -8.363 -5.583 613 HD3 ARG 82 2HD ARG 82 4.940 -7.163 -5.187 614 HE ARG 82 HE ARG 82 6.643 -6.461 -7.486 615 HH11 ARG 82 2HH2 ARG 82 3.657 -7.984 -6.416 616 HH12 ARG 82 1HH2 ARG 82 2.879 -7.835 -7.956 617 HH21 ARG 82 2HH1 ARG 82 5.617 -6.264 -9.518 618 HH22 ARG 82 1HH1 ARG 82 4.001 -6.850 -9.733 619 H GLY 83 H GLY 83 7.669 -6.970 -1.310 620 HA2 GLY 83 1HA GLY 83 9.860 -7.863 -1.509 621 HA3 GLY 83 2HA GLY 83 10.426 -6.326 -2.133 622 H LYS 84 H LYS 84 8.853 -4.709 -0.144 623 HA LYS 84 HA LYS 84 10.812 -4.463 1.801 624 HB2 LYS 84 1HB LYS 84 7.920 -3.551 1.783 625 HB3 LYS 84 2HB LYS 84 9.111 -3.037 2.961 626 HG2 LYS 84 1HG LYS 84 10.543 -2.459 0.762 627 HG3 LYS 84 2HG LYS 84 8.960 -2.405 0.012 628 HD2 LYS 84 1HD LYS 84 8.196 -0.669 1.519 629 HD3 LYS 84 2HD LYS 84 9.576 -0.883 2.579 630 HE2 LYS 84 1HE LYS 84 9.839 0.014 -0.327 631 HE3 LYS 84 2HE LYS 84 9.695 1.139 1.009 632 HZ1 LYS 84 1HZ LYS 84 11.709 0.451 1.870 633 HZ2 LYS 84 2HZ LYS 84 11.741 -0.949 1.030 634 HZ3 LYS 84 3HZ LYS 84 11.997 0.470 0.263 635 H ASP 85 H ASP 85 9.987 -4.499 4.310 636 HA ASP 85 HA ASP 85 9.152 -7.267 4.672 637 HB2 ASP 85 1HB ASP 85 11.423 -6.808 5.495 638 HB3 ASP 85 2HB ASP 85 10.857 -5.422 6.405 639 H VAL 86 H VAL 86 7.742 -7.672 6.625 640 HA VAL 86 HA VAL 86 5.582 -6.009 6.791 641 HB VAL 86 HB VAL 86 5.044 -7.249 8.854 642 HG11 VAL 86 1HG1 VAL 86 4.686 -9.307 7.797 643 HG12 VAL 86 2HG1 VAL 86 4.830 -8.163 6.440 644 HG13 VAL 86 3HG1 VAL 86 6.204 -9.209 6.873 645 HG21 VAL 86 1HG2 VAL 86 7.082 -7.476 10.009 646 HG22 VAL 86 2HG2 VAL 86 6.694 -9.126 9.464 647 HG23 VAL 86 3HG2 VAL 86 7.913 -8.165 8.593 648 H ASN 87 H ASN 87 8.473 -6.153 8.973 649 HA ASN 87 HA ASN 87 7.634 -4.253 10.742 650 HB2 ASN 87 1HB ASN 87 10.011 -5.708 10.212 651 HB3 ASN 87 2HB ASN 87 10.513 -4.030 10.139 652 HD21 ASN 87 1HD2 ASN 87 8.791 -6.420 12.087 653 HD22 ASN 87 2HD2 ASN 87 9.106 -5.724 13.642 654 H GLU 88 H GLU 88 9.540 -3.954 7.662 655 HA GLU 88 HA GLU 88 10.027 -1.260 7.804 656 HB2 GLU 88 1HB GLU 88 10.317 -3.376 5.890 657 HB3 GLU 88 2HB GLU 88 9.567 -2.031 5.054 658 HG2 GLU 88 1HG GLU 88 11.538 -0.773 6.591 659 HG3 GLU 88 2HG GLU 88 12.312 -2.278 6.133 660 H VAL 89 H VAL 89 7.278 -3.022 6.214 661 HA VAL 89 HA VAL 89 5.978 -0.777 5.242 662 HB VAL 89 HB VAL 89 5.094 -3.533 6.066 663 HG11 VAL 89 1HG1 VAL 89 2.962 -2.878 6.150 664 HG12 VAL 89 2HG1 VAL 89 3.397 -1.217 5.683 665 HG13 VAL 89 3HG1 VAL 89 3.083 -2.440 4.429 666 HG21 VAL 89 1HG2 VAL 89 5.521 -4.116 3.940 667 HG22 VAL 89 2HG2 VAL 89 4.744 -2.653 3.287 668 HG23 VAL 89 3HG2 VAL 89 6.434 -2.591 3.841 669 H PHE 90 H PHE 90 5.742 -2.456 8.434 670 HA PHE 90 HA PHE 90 3.682 -0.839 9.419 671 HB2 PHE 90 1HB PHE 90 6.005 -2.386 10.714 672 HB3 PHE 90 2HB PHE 90 4.663 -1.742 11.639 673 HD1 PHE 90 2HD PHE 90 2.451 -2.389 9.665 674 HD2 PHE 90 1HD PHE 90 5.712 -4.690 11.108 675 HE1 PHE 90 2HE PHE 90 1.151 -4.495 9.246 676 HE2 PHE 90 1HE PHE 90 4.412 -6.795 10.688 677 HZ PHE 90 HZ PHE 90 2.147 -6.673 9.762 678 H ASP 91 H ASP 91 7.288 -0.639 9.704 679 HA ASP 91 HA ASP 91 7.304 1.511 11.429 680 HB2 ASP 91 1HB ASP 91 9.186 -0.075 10.051 681 HB3 ASP 91 2HB ASP 91 9.493 1.544 9.454 682 H LEU 92 H LEU 92 6.739 1.200 7.947 683 HA LEU 92 HA LEU 92 7.366 3.871 7.247 684 HB2 LEU 92 1HB LEU 92 6.108 1.508 5.971 685 HB3 LEU 92 2HB LEU 92 5.697 3.073 5.299 686 HG LEU 92 HG LEU 92 8.584 2.697 5.739 687 HD11 LEU 92 1HD1 LEU 92 8.449 1.305 3.425 688 HD12 LEU 92 2HD1 LEU 92 8.626 0.559 5.031 689 HD13 LEU 92 3HD1 LEU 92 7.020 0.660 4.269 690 HD21 LEU 92 1HD2 LEU 92 6.870 3.613 3.417 691 HD22 LEU 92 2HD2 LEU 92 7.791 4.623 4.557 692 HD23 LEU 92 3HD2 LEU 92 8.650 3.576 3.402 693 H LEU 93 H LEU 93 4.124 2.227 7.313 694 HA LEU 93 HA LEU 93 2.620 4.499 7.239 695 HB2 LEU 93 1HB LEU 93 2.009 1.928 8.706 696 HB3 LEU 93 2HB LEU 93 0.837 3.145 8.240 697 HG LEU 93 HG LEU 93 2.543 1.581 6.284 698 HD11 LEU 93 1HD1 LEU 93 1.182 -0.079 7.125 699 HD12 LEU 93 2HD1 LEU 93 -0.165 1.036 7.455 700 HD13 LEU 93 3HD1 LEU 93 0.195 0.547 5.782 701 HD21 LEU 93 1HD2 LEU 93 0.763 3.876 6.012 702 HD22 LEU 93 2HD2 LEU 93 1.935 3.186 4.864 703 HD23 LEU 93 3HD2 LEU 93 0.290 2.513 4.970 704 H SER 94 H SER 94 3.672 2.710 10.225 705 HA SER 94 HA SER 94 2.609 4.260 12.094 706 HB2 SER 94 1HB SER 94 3.960 2.315 12.646 707 HB3 SER 94 2HB SER 94 5.410 3.067 12.011 708 HG SER 94 HG SER 94 5.651 4.253 13.813 709 H ASP 95 H ASP 95 5.524 4.998 10.113 710 HA ASP 95 HA ASP 95 6.167 7.319 11.552 711 HB2 ASP 95 1HB ASP 95 7.562 5.836 9.848 712 HB3 ASP 95 2HB ASP 95 6.865 6.889 8.633 713 H MET 96 H MET 96 4.321 6.532 8.545 714 HA MET 96 HA MET 96 3.854 9.266 7.939 715 HB2 MET 96 1HB MET 96 2.460 6.730 6.914 716 HB3 MET 96 2HB MET 96 2.419 8.299 6.134 717 HG2 MET 96 1HG MET 96 5.106 8.013 6.251 718 HG3 MET 96 2HG MET 96 4.681 6.313 6.292 719 HE1 MET 96 1HE MET 96 2.169 6.078 5.030 720 HE2 MET 96 2HE MET 96 2.096 6.328 3.269 721 HE3 MET 96 3HE MET 96 3.206 5.114 3.951 722 H HIS 97 H HIS 97 1.551 10.136 7.665 723 HA HIS 97 HA HIS 97 -0.460 8.920 9.278 724 HB2 HIS 97 1HB HIS 97 -0.553 11.257 10.598 725 HB3 HIS 97 2HB HIS 97 0.258 9.828 11.207 726 HD1 HIS 97 1HD HIS 97 1.483 12.414 8.645 727 HD2 HIS 97 2HD HIS 97 2.538 10.785 12.364 728 HE1 HIS 97 1HE HIS 97 3.736 13.441 9.262 729 H GLY 98 H GLY 98 -2.548 9.881 8.908 730 HA2 GLY 98 1HA GLY 98 -3.897 11.599 8.007 731 HA3 GLY 98 2HA GLY 98 -2.586 12.079 6.947 732 H THR 99 H THR 99 -4.509 11.906 5.352 733 HA THR 99 HA THR 99 -5.463 9.327 4.668 734 HB THR 99 HB THR 99 -5.377 11.724 2.802 735 HG1 THR 99 1HG THR 99 -7.140 12.529 4.197 736 HG21 THR 99 1HG2 THR 99 -7.559 10.993 2.168 737 HG22 THR 99 2HG2 THR 99 -6.665 9.467 2.367 738 HG23 THR 99 3HG2 THR 99 -7.761 10.031 3.652 739 H LEU 100 H LEU 100 -4.040 7.744 4.169 740 HA LEU 100 HA LEU 100 -1.917 8.440 2.282 741 HB2 LEU 100 1HB LEU 100 -2.119 5.815 3.700 742 HB3 LEU 100 2HB LEU 100 -0.703 6.653 3.098 743 HG LEU 100 HG LEU 100 -1.667 8.389 5.033 744 HD11 LEU 100 1HD1 LEU 100 -3.283 6.844 5.889 745 HD12 LEU 100 2HD1 LEU 100 -2.076 5.538 5.966 746 HD13 LEU 100 3HD1 LEU 100 -1.938 6.941 7.052 747 HD21 LEU 100 1HD2 LEU 100 0.391 8.132 5.944 748 HD22 LEU 100 2HD2 LEU 100 0.322 6.354 5.891 749 HD23 LEU 100 3HD2 LEU 100 0.689 7.275 4.413 750 H THR 101 H THR 101 -1.801 7.544 0.238 751 HA THR 101 HA THR 101 -4.233 6.222 -0.651 752 HB THR 101 HB THR 101 -1.789 7.380 -2.091 753 HG1 THR 101 1HG THR 101 -3.520 9.000 -2.551 754 HG21 THR 101 1HG2 THR 101 -4.507 6.478 -3.184 755 HG22 THR 101 2HG2 THR 101 -3.216 7.272 -4.118 756 HG23 THR 101 3HG2 THR 101 -2.968 5.631 -3.474 757 H PHE 102 H PHE 102 -4.289 4.104 -0.067 758 HA PHE 102 HA PHE 102 -1.877 2.540 -0.327 759 HB2 PHE 102 1HB PHE 102 -4.788 2.067 0.530 760 HB3 PHE 102 2HB PHE 102 -3.631 0.753 0.471 761 HD1 PHE 102 2HD PHE 102 -4.316 4.020 2.081 762 HD2 PHE 102 1HD PHE 102 -2.136 0.383 2.251 763 HE1 PHE 102 2HE PHE 102 -3.557 4.584 4.406 764 HE2 PHE 102 1HE PHE 102 -1.378 0.947 4.577 765 HZ PHE 102 HZ PHE 102 -2.098 3.040 5.626 766 H VAL 103 H VAL 103 -1.296 1.604 -2.224 767 HA VAL 103 HA VAL 103 -3.440 1.067 -4.150 768 HB VAL 103 HB VAL 103 -0.485 1.124 -4.716 769 HG11 VAL 103 1HG1 VAL 103 -2.186 2.174 -6.787 770 HG12 VAL 103 2HG1 VAL 103 -1.122 0.747 -6.819 771 HG13 VAL 103 3HG1 VAL 103 -2.804 0.591 -6.256 772 HG21 VAL 103 1HG2 VAL 103 -0.501 3.276 -4.017 773 HG22 VAL 103 2HG2 VAL 103 -1.313 3.570 -5.574 774 HG23 VAL 103 3HG2 VAL 103 -2.276 3.397 -4.086 775 H LEU 104 H LEU 104 -4.210 -0.944 -3.481 776 HA LEU 104 HA LEU 104 -2.251 -3.101 -3.748 777 HB2 LEU 104 1HB LEU 104 -3.733 -4.192 -1.863 778 HB3 LEU 104 2HB LEU 104 -2.318 -3.221 -1.504 779 HG LEU 104 HG LEU 104 -4.110 -1.255 -1.416 780 HD11 LEU 104 1HD1 LEU 104 -6.273 -1.784 -1.124 781 HD12 LEU 104 2HD1 LEU 104 -5.829 -3.291 -1.962 782 HD13 LEU 104 3HD1 LEU 104 -5.901 -3.249 -0.184 783 HD21 LEU 104 1HD2 LEU 104 -4.094 -3.051 0.979 784 HD22 LEU 104 2HD2 LEU 104 -2.556 -2.378 0.387 785 HD23 LEU 104 3HD2 LEU 104 -3.879 -1.287 0.865 786 H ILE 105 H ILE 105 -3.350 -5.241 -4.191 787 HA ILE 105 HA ILE 105 -5.714 -4.711 -5.842 788 HB ILE 105 HB ILE 105 -3.708 -6.963 -6.011 789 HG12 ILE 105 1HG1 ILE 105 -3.900 -4.855 -8.109 790 HG13 ILE 105 2HG1 ILE 105 -3.118 -4.410 -6.606 791 HG21 ILE 105 1HG2 ILE 105 -6.120 -7.334 -6.812 792 HG22 ILE 105 2HG2 ILE 105 -5.725 -6.181 -8.109 793 HG23 ILE 105 3HG2 ILE 105 -4.795 -7.690 -7.946 794 HD11 ILE 105 1HD1 ILE 105 -2.289 -7.069 -7.629 795 HD12 ILE 105 2HD1 ILE 105 -1.873 -5.710 -8.701 796 HD13 ILE 105 3HD1 ILE 105 -1.295 -5.725 -7.018 797 HA PRO 106 HA PRO 106 -7.909 -7.063 -2.926 798 HB2 PRO 106 1HB PRO 106 -10.341 -7.053 -4.174 799 HB3 PRO 106 2HB PRO 106 -9.778 -5.738 -3.161 800 HG2 PRO 106 1HG PRO 106 -9.958 -5.860 -6.109 801 HG3 PRO 106 2HG PRO 106 -9.812 -4.452 -5.075 802 HD2 PRO 106 1HD PRO 106 -7.731 -5.654 -6.640 803 HD3 PRO 106 2HD PRO 106 -7.560 -4.320 -5.518 804 H SER 107 H SER 107 -7.550 -9.147 -2.540 805 HA SER 107 HA SER 107 -7.356 -10.850 -4.787 806 HB2 SER 107 1HB SER 107 -5.948 -11.106 -2.747 807 HB3 SER 107 2HB SER 107 -7.374 -11.490 -1.804 808 HG SER 107 HG SER 107 -7.015 -13.057 -4.129 809 H SER 108 H SER 108 -9.621 -10.430 -5.606 810 HA SER 108 HA SER 108 -11.759 -11.402 -4.016 811 HB2 SER 108 1HB SER 108 -11.423 -10.178 -6.728 812 HB3 SER 108 2HB SER 108 -12.840 -11.187 -6.511 813 HG SER 108 HG SER 108 -12.593 -8.654 -5.787 814 H GLY 109 H GLY 109 -10.129 -13.508 -3.932 815 HA2 GLY 109 1HA GLY 109 -10.128 -15.294 -6.092 816 HA3 GLY 109 2HA GLY 109 -9.890 -15.692 -4.402 817 HA PRO 110 HA PRO 110 -14.349 -16.493 -5.849 818 HB2 PRO 110 1HB PRO 110 -14.389 -18.031 -8.108 819 HB3 PRO 110 2HB PRO 110 -14.651 -16.298 -8.123 820 HG2 PRO 110 1HG PRO 110 -12.255 -17.818 -8.953 821 HG3 PRO 110 2HG PRO 110 -12.699 -16.169 -9.346 822 HD2 PRO 110 1HD PRO 110 -10.737 -17.007 -7.429 823 HD3 PRO 110 2HD PRO 110 -11.264 -15.365 -7.740 824 H SER 111 H SER 111 -15.077 -17.832 -4.333 825 HA SER 111 HA SER 111 -14.816 -20.554 -4.698 826 HB2 SER 111 1HB SER 111 -12.410 -19.614 -3.812 827 HB3 SER 111 2HB SER 111 -13.200 -19.884 -2.271 828 HG SER 111 HG SER 111 -13.570 -22.000 -4.061 829 H SER 112 H SER 112 -16.907 -20.886 -3.994 830 HA SER 112 HA SER 112 -17.984 -19.343 -1.899 831 HB2 SER 112 1HB SER 112 -18.902 -21.491 -3.743 832 HB3 SER 112 2HB SER 112 -19.730 -21.460 -2.199 833 HG SER 112 HG SER 112 -19.488 -18.896 -3.153 834 H GLY 113 H GLY 113 -18.130 -19.804 0.297 835 HA2 GLY 113 1HA GLY 113 -17.597 -22.532 1.207 836 HA3 GLY 113 2HA GLY 113 -16.482 -21.279 1.717 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -28.566 22.499 -29.049 2 HA2 GLY 1 1HA GLY 1 -26.579 23.100 -30.939 3 HA3 GLY 1 2HA GLY 1 -27.084 24.595 -30.178 4 H SER 2 H SER 2 -24.612 22.617 -30.014 5 HA SER 2 HA SER 2 -24.553 22.673 -27.099 6 HB2 SER 2 1HB SER 2 -24.435 20.380 -28.737 7 HB3 SER 2 2HB SER 2 -22.766 20.671 -28.290 8 HG SER 2 HG SER 2 -23.981 19.306 -26.760 9 H SER 3 H SER 3 -22.063 22.459 -26.365 10 HA SER 3 HA SER 3 -20.726 24.536 -27.857 11 HB2 SER 3 1HB SER 3 -20.886 23.734 -25.073 12 HB3 SER 3 2HB SER 3 -19.203 23.758 -25.563 13 HG SER 3 HG SER 3 -19.344 25.873 -25.259 14 H GLY 4 H GLY 4 -19.773 21.431 -26.195 15 HA2 GLY 4 1HA GLY 4 -18.817 19.812 -27.931 16 HA3 GLY 4 2HA GLY 4 -17.660 21.095 -28.223 17 H SER 5 H SER 5 -15.834 19.912 -27.482 18 HA SER 5 HA SER 5 -15.721 19.775 -24.597 19 HB2 SER 5 1HB SER 5 -15.961 17.454 -26.246 20 HB3 SER 5 2HB SER 5 -14.296 17.497 -25.701 21 HG SER 5 HG SER 5 -16.631 17.677 -23.992 22 H SER 6 H SER 6 -13.229 19.086 -24.035 23 HA SER 6 HA SER 6 -11.438 20.112 -26.031 24 HB2 SER 6 1HB SER 6 -12.368 22.057 -24.541 25 HB3 SER 6 2HB SER 6 -11.360 21.383 -23.277 26 HG SER 6 HG SER 6 -9.631 22.241 -24.199 27 H GLY 7 H GLY 7 -9.054 20.034 -25.021 28 HA2 GLY 7 1HA GLY 7 -8.411 18.554 -22.791 29 HA3 GLY 7 2HA GLY 7 -8.682 17.375 -24.058 30 HA PRO 8 HA PRO 8 -5.025 20.112 -25.375 31 HB2 PRO 8 1HB PRO 8 -3.961 21.865 -23.568 32 HB3 PRO 8 2HB PRO 8 -5.116 22.339 -24.798 33 HG2 PRO 8 1HG PRO 8 -5.547 21.959 -21.898 34 HG3 PRO 8 2HG PRO 8 -6.543 22.824 -23.052 35 HD2 PRO 8 1HD PRO 8 -7.052 20.222 -21.956 36 HD3 PRO 8 2HD PRO 8 -7.984 21.038 -23.195 37 H ILE 9 H ILE 9 -2.539 20.606 -24.379 38 HA ILE 9 HA ILE 9 -1.816 17.946 -23.669 39 HB ILE 9 HB ILE 9 -0.111 20.436 -23.724 40 HG12 ILE 9 1HG1 ILE 9 0.104 18.770 -26.078 41 HG13 ILE 9 2HG1 ILE 9 -1.556 19.289 -25.863 42 HG21 ILE 9 1HG2 ILE 9 1.750 19.044 -23.833 43 HG22 ILE 9 2HG2 ILE 9 0.710 18.245 -22.630 44 HG23 ILE 9 3HG2 ILE 9 0.787 17.620 -24.295 45 HD11 ILE 9 1HD1 ILE 9 0.907 21.090 -25.946 46 HD12 ILE 9 2HD1 ILE 9 -0.373 20.972 -27.178 47 HD13 ILE 9 3HD1 ILE 9 -0.739 21.662 -25.579 48 H THR 10 H THR 10 -1.436 17.067 -21.683 49 HA THR 10 HA THR 10 -1.460 18.939 -19.407 50 HB THR 10 HB THR 10 -3.616 17.592 -19.797 51 HG1 THR 10 1HG THR 10 -3.630 17.721 -17.582 52 HG21 THR 10 1HG2 THR 10 -1.717 15.327 -18.986 53 HG22 THR 10 2HG2 THR 10 -3.494 15.218 -18.947 54 HG23 THR 10 3HG2 THR 10 -2.648 15.421 -20.500 55 H ASP 11 H ASP 11 -0.552 17.819 -17.358 56 HA ASP 11 HA ASP 11 1.659 16.114 -18.171 57 HB2 ASP 11 1HB ASP 11 1.796 18.516 -16.287 58 HB3 ASP 11 2HB ASP 11 3.108 17.380 -16.532 59 H GLU 12 H GLU 12 -0.949 15.472 -16.953 60 HA GLU 12 HA GLU 12 -0.331 15.107 -14.159 61 HB2 GLU 12 1HB GLU 12 -2.691 14.301 -14.006 62 HB3 GLU 12 2HB GLU 12 -2.573 15.909 -14.693 63 HG2 GLU 12 1HG GLU 12 -3.130 15.187 -16.856 64 HG3 GLU 12 2HG GLU 12 -2.526 13.564 -16.590 65 H ARG 13 H ARG 13 1.497 13.681 -15.572 66 HA ARG 13 HA ARG 13 0.776 11.031 -14.851 67 HB2 ARG 13 1HB ARG 13 1.364 10.053 -17.106 68 HB3 ARG 13 2HB ARG 13 -0.107 11.005 -17.133 69 HG2 ARG 13 1HG ARG 13 1.623 12.987 -17.740 70 HG3 ARG 13 2HG ARG 13 2.593 11.643 -18.309 71 HD2 ARG 13 1HD ARG 13 -0.216 11.405 -19.174 72 HD3 ARG 13 2HD ARG 13 0.507 12.905 -19.720 73 HE ARG 13 HE ARG 13 1.094 10.287 -20.740 74 HH11 ARG 13 2HH2 ARG 13 2.709 13.295 -19.888 75 HH12 ARG 13 1HH2 ARG 13 4.008 13.065 -21.010 76 HH21 ARG 13 2HH1 ARG 13 2.808 9.982 -22.220 77 HH22 ARG 13 1HH1 ARG 13 4.065 11.168 -22.346 78 H VAL 14 H VAL 14 2.570 11.675 -13.356 79 HA VAL 14 HA VAL 14 5.139 11.079 -14.587 80 HB VAL 14 HB VAL 14 4.821 13.406 -12.698 81 HG11 VAL 14 1HG1 VAL 14 7.051 13.057 -12.636 82 HG12 VAL 14 2HG1 VAL 14 7.047 12.091 -14.131 83 HG13 VAL 14 3HG1 VAL 14 7.042 13.868 -14.220 84 HG21 VAL 14 1HG2 VAL 14 5.091 14.868 -14.726 85 HG22 VAL 14 2HG2 VAL 14 4.782 13.432 -15.732 86 HG23 VAL 14 3HG2 VAL 14 3.525 14.027 -14.622 87 H TYR 15 H TYR 15 2.976 9.822 -12.787 88 HA TYR 15 HA TYR 15 4.716 9.348 -10.461 89 HB2 TYR 15 1HB TYR 15 2.308 8.502 -9.635 90 HB3 TYR 15 2HB TYR 15 2.635 10.223 -9.660 91 HD1 TYR 15 2HD TYR 15 1.794 11.612 -11.606 92 HD2 TYR 15 1HD TYR 15 0.602 7.548 -10.999 93 HE1 TYR 15 2HE TYR 15 -0.206 11.963 -13.136 94 HE2 TYR 15 1HE TYR 15 -1.394 7.913 -12.531 95 HH TYR 15 HH TYR 15 -2.447 9.286 -13.814 96 H GLU 16 H GLU 16 4.845 7.149 -9.645 97 HA GLU 16 HA GLU 16 4.635 5.274 -11.826 98 HB2 GLU 16 1HB GLU 16 6.161 3.898 -10.591 99 HB3 GLU 16 2HB GLU 16 6.741 5.542 -10.417 100 HG2 GLU 16 1HG GLU 16 5.431 5.663 -8.211 101 HG3 GLU 16 2HG GLU 16 5.134 3.943 -8.374 102 H SER 17 H SER 17 2.586 6.405 -9.485 103 HA SER 17 HA SER 17 1.458 3.756 -9.026 104 HB2 SER 17 1HB SER 17 0.258 5.809 -7.364 105 HB3 SER 17 2HB SER 17 1.111 4.359 -6.876 106 HG SER 17 HG SER 17 2.375 5.988 -6.071 107 H ILE 18 H ILE 18 0.136 3.532 -10.867 108 HA ILE 18 HA ILE 18 -1.720 5.735 -11.394 109 HB ILE 18 HB ILE 18 -0.808 3.412 -13.092 110 HG12 ILE 18 1HG1 ILE 18 0.098 5.254 -14.529 111 HG13 ILE 18 2HG1 ILE 18 -0.305 6.397 -13.263 112 HG21 ILE 18 1HG2 ILE 18 -3.272 4.163 -13.314 113 HG22 ILE 18 2HG2 ILE 18 -2.596 5.632 -14.056 114 HG23 ILE 18 3HG2 ILE 18 -2.274 4.039 -14.782 115 HD11 ILE 18 1HD1 ILE 18 2.118 5.323 -13.367 116 HD12 ILE 18 2HD1 ILE 18 1.324 5.570 -11.794 117 HD13 ILE 18 3HD1 ILE 18 1.327 3.957 -12.545 118 H GLY 19 H GLY 19 -3.984 5.359 -11.505 119 HA2 GLY 19 1HA GLY 19 -5.171 3.897 -9.590 120 HA3 GLY 19 2HA GLY 19 -5.933 4.269 -11.124 121 H HIS 20 H HIS 20 -4.537 2.745 -12.983 122 HA HIS 20 HA HIS 20 -4.803 0.027 -11.924 123 HB2 HIS 20 1HB HIS 20 -5.741 1.005 -14.636 124 HB3 HIS 20 2HB HIS 20 -5.810 -0.648 -14.058 125 HD1 HIS 20 1HD HIS 20 -8.020 2.003 -14.583 126 HD2 HIS 20 2HD HIS 20 -7.335 -0.503 -11.290 127 HE1 HIS 20 1HE HIS 20 -10.136 2.098 -13.160 128 H TYR 21 H TYR 21 -2.498 -0.028 -11.605 129 HA TYR 21 HA TYR 21 -0.511 0.740 -13.204 130 HB2 TYR 21 1HB TYR 21 -1.051 -1.935 -11.781 131 HB3 TYR 21 2HB TYR 21 0.537 -1.535 -12.405 132 HD1 TYR 21 1HD TYR 21 -0.908 1.477 -11.340 133 HD2 TYR 21 2HD TYR 21 0.872 -2.096 -9.800 134 HE1 TYR 21 1HE TYR 21 -0.356 2.678 -9.168 135 HE2 TYR 21 2HE TYR 21 1.418 -0.883 -7.634 136 HH TYR 21 HH TYR 21 1.814 1.828 -7.141 137 H GLY 22 H GLY 22 0.628 0.028 -15.046 138 HA2 GLY 22 1HA GLY 22 -0.795 -0.935 -17.182 139 HA3 GLY 22 2HA GLY 22 0.949 -0.999 -17.022 140 H GLY 23 H GLY 23 -1.501 -2.913 -17.873 141 HA2 GLY 23 1HA GLY 23 -1.265 -5.202 -18.222 142 HA3 GLY 23 2HA GLY 23 -0.178 -5.319 -16.853 143 H GLU 24 H GLU 24 -1.051 -5.250 -14.648 144 HA GLU 24 HA GLU 24 -3.605 -6.506 -14.571 145 HB2 GLU 24 1HB GLU 24 -1.294 -6.632 -13.025 146 HB3 GLU 24 2HB GLU 24 -2.383 -5.732 -11.988 147 HG2 GLU 24 1HG GLU 24 -3.812 -7.522 -11.690 148 HG3 GLU 24 2HG GLU 24 -3.607 -8.101 -13.331 149 H THR 25 H THR 25 -4.536 -5.536 -12.002 150 HA THR 25 HA THR 25 -5.033 -2.694 -12.498 151 HB THR 25 HB THR 25 -7.532 -3.477 -11.828 152 HG1 THR 25 1HG THR 25 -7.821 -5.621 -12.763 153 HG21 THR 25 1HG2 THR 25 -6.487 -2.533 -14.146 154 HG22 THR 25 2HG2 THR 25 -6.783 -4.214 -14.654 155 HG23 THR 25 3HG2 THR 25 -8.132 -3.209 -14.072 156 H VAL 26 H VAL 26 -4.836 -1.488 -10.711 157 HA VAL 26 HA VAL 26 -4.861 -2.960 -8.167 158 HB VAL 26 HB VAL 26 -3.322 -1.241 -7.356 159 HG11 VAL 26 1HG1 VAL 26 -1.600 -1.875 -9.497 160 HG12 VAL 26 2HG1 VAL 26 -1.788 -2.746 -7.956 161 HG13 VAL 26 3HG1 VAL 26 -2.748 -3.230 -9.375 162 HG21 VAL 26 1HG2 VAL 26 -2.191 0.144 -9.280 163 HG22 VAL 26 2HG2 VAL 26 -3.750 -0.100 -10.103 164 HG23 VAL 26 3HG2 VAL 26 -3.695 0.721 -8.525 165 H LYS 27 H LYS 27 -5.873 -1.933 -6.338 166 HA LYS 27 HA LYS 27 -7.786 0.138 -7.165 167 HB2 LYS 27 1HB LYS 27 -8.566 -2.271 -6.506 168 HB3 LYS 27 2HB LYS 27 -8.253 -1.745 -4.864 169 HG2 LYS 27 1HG LYS 27 -9.653 0.425 -5.863 170 HG3 LYS 27 2HG LYS 27 -10.393 -0.891 -6.751 171 HD2 LYS 27 1HD LYS 27 -11.103 -2.005 -4.758 172 HD3 LYS 27 2HD LYS 27 -9.989 -1.105 -3.748 173 HE2 LYS 27 1HE LYS 27 -11.475 0.600 -3.458 174 HE3 LYS 27 2HE LYS 27 -11.800 0.711 -5.176 175 HZ1 LYS 27 1HZ LYS 27 -13.510 -0.743 -5.015 176 HZ2 LYS 27 2HZ LYS 27 -12.901 -1.550 -3.732 177 HZ3 LYS 27 3HZ LYS 27 -13.605 -0.092 -3.520 178 H ILE 28 H ILE 28 -7.143 2.098 -6.455 179 HA ILE 28 HA ILE 28 -5.434 2.256 -4.139 180 HB ILE 28 HB ILE 28 -6.456 4.216 -6.176 181 HG12 ILE 28 1HG1 ILE 28 -3.663 3.293 -5.437 182 HG13 ILE 28 2HG1 ILE 28 -4.596 2.709 -6.799 183 HG21 ILE 28 1HG2 ILE 28 -6.406 5.783 -4.569 184 HG22 ILE 28 2HG2 ILE 28 -5.459 4.767 -3.456 185 HG23 ILE 28 3HG2 ILE 28 -4.640 5.664 -4.757 186 HD11 ILE 28 1HD1 ILE 28 -2.890 4.945 -6.781 187 HD12 ILE 28 2HD1 ILE 28 -4.055 4.518 -8.057 188 HD13 ILE 28 3HD1 ILE 28 -4.528 5.640 -6.759 189 H VAL 29 H VAL 29 -6.023 2.836 -2.089 190 HA VAL 29 HA VAL 29 -8.745 3.854 -1.741 191 HB VAL 29 HB VAL 29 -8.483 2.286 0.437 192 HG11 VAL 29 1HG1 VAL 29 -10.312 2.498 -1.404 193 HG12 VAL 29 2HG1 VAL 29 -9.534 1.060 -2.107 194 HG13 VAL 29 3HG1 VAL 29 -10.203 0.993 -0.459 195 HG21 VAL 29 1HG2 VAL 29 -7.437 0.243 0.042 196 HG22 VAL 29 2HG2 VAL 29 -7.411 0.479 -1.722 197 HG23 VAL 29 3HG2 VAL 29 -6.302 1.407 -0.684 198 H ARG 30 H ARG 30 -8.642 5.767 -0.695 199 HA ARG 30 HA ARG 30 -6.204 6.381 0.678 200 HB2 ARG 30 1HB ARG 30 -8.645 7.951 -0.204 201 HB3 ARG 30 2HB ARG 30 -7.578 8.648 0.999 202 HG2 ARG 30 1HG ARG 30 -5.813 8.900 -0.495 203 HG3 ARG 30 2HG ARG 30 -6.253 7.484 -1.430 204 HD2 ARG 30 1HD ARG 30 -8.371 9.487 -1.619 205 HD3 ARG 30 2HD ARG 30 -6.832 10.209 -2.044 206 HE ARG 30 HE ARG 30 -6.953 7.695 -3.358 207 HH11 ARG 30 2HH2 ARG 30 -8.641 10.782 -3.424 208 HH12 ARG 30 1HH2 ARG 30 -9.089 10.646 -5.092 209 HH21 ARG 30 2HH1 ARG 30 -7.543 7.516 -5.558 210 HH22 ARG 30 1HH1 ARG 30 -8.460 8.776 -6.314 211 H ILE 31 H ILE 31 -6.033 5.713 2.801 212 HA ILE 31 HA ILE 31 -8.484 5.752 4.409 213 HB ILE 31 HB ILE 31 -5.948 4.145 4.558 214 HG12 ILE 31 1HG1 ILE 31 -8.872 3.348 4.437 215 HG13 ILE 31 2HG1 ILE 31 -7.768 3.358 3.076 216 HG21 ILE 31 1HG2 ILE 31 -6.139 4.609 6.805 217 HG22 ILE 31 2HG2 ILE 31 -7.911 4.767 6.738 218 HG23 ILE 31 3HG2 ILE 31 -7.158 3.156 6.657 219 HD11 ILE 31 1HD1 ILE 31 -7.058 1.288 3.640 220 HD12 ILE 31 2HD1 ILE 31 -6.477 1.915 5.201 221 HD13 ILE 31 3HD1 ILE 31 -8.141 1.299 5.052 222 H GLU 32 H GLU 32 -8.618 6.985 6.272 223 HA GLU 32 HA GLU 32 -6.568 8.986 6.484 224 HB2 GLU 32 1HB GLU 32 -9.228 8.679 7.945 225 HB3 GLU 32 2HB GLU 32 -8.170 10.070 8.075 226 HG2 GLU 32 1HG GLU 32 -8.352 10.090 5.415 227 HG3 GLU 32 2HG GLU 32 -9.802 9.147 5.699 228 H LYS 33 H LYS 33 -5.021 9.088 8.086 229 HA LYS 33 HA LYS 33 -5.398 7.319 10.391 230 HB2 LYS 33 1HB LYS 33 -3.942 6.180 8.764 231 HB3 LYS 33 2HB LYS 33 -2.863 7.560 8.744 232 HG2 LYS 33 1HG LYS 33 -2.287 7.255 11.089 233 HG3 LYS 33 2HG LYS 33 -3.560 6.072 11.313 234 HD2 LYS 33 1HD LYS 33 -1.578 5.451 9.155 235 HD3 LYS 33 2HD LYS 33 -0.954 5.413 10.792 236 HE2 LYS 33 1HE LYS 33 -1.853 3.186 9.999 237 HE3 LYS 33 2HE LYS 33 -2.602 3.758 11.477 238 HZ1 LYS 33 1HZ LYS 33 -4.452 4.536 10.214 239 HZ2 LYS 33 2HZ LYS 33 -3.742 4.145 8.796 240 HZ3 LYS 33 3HZ LYS 33 -4.194 2.969 9.835 241 H ALA 34 H ALA 34 -4.851 8.223 12.352 242 HA ALA 34 HA ALA 34 -4.326 11.049 12.304 243 HB1 ALA 34 1HB ALA 34 -5.919 9.666 13.850 244 HB2 ALA 34 2HB ALA 34 -4.438 9.305 14.770 245 HB3 ALA 34 3HB ALA 34 -4.967 10.992 14.560 246 H ARG 35 H ARG 35 -2.632 11.885 14.002 247 HA ARG 35 HA ARG 35 -0.165 10.778 13.148 248 HB2 ARG 35 1HB ARG 35 -0.466 13.231 13.383 249 HB3 ARG 35 2HB ARG 35 -0.818 13.051 15.090 250 HG2 ARG 35 1HG ARG 35 1.391 12.873 15.652 251 HG3 ARG 35 2HG ARG 35 1.733 11.769 14.335 252 HD2 ARG 35 1HD ARG 35 2.245 13.490 12.828 253 HD3 ARG 35 2HD ARG 35 1.192 14.647 13.618 254 HE ARG 35 HE ARG 35 3.268 13.977 15.454 255 HH11 ARG 35 2HH2 ARG 35 2.867 15.632 12.375 256 HH12 ARG 35 1HH2 ARG 35 4.224 16.682 12.617 257 HH21 ARG 35 2HH1 ARG 35 5.057 15.362 15.775 258 HH22 ARG 35 1HH1 ARG 35 5.477 16.527 14.564 259 H ASP 36 H ASP 36 -2.289 9.633 15.329 260 HA ASP 36 HA ASP 36 -0.202 8.439 16.881 261 HB2 ASP 36 1HB ASP 36 -1.129 10.635 18.034 262 HB3 ASP 36 2HB ASP 36 -2.537 9.655 18.389 263 H ILE 37 H ILE 37 -2.095 7.552 14.825 264 HA ILE 37 HA ILE 37 -3.868 5.861 16.449 265 HB ILE 37 HB ILE 37 -4.320 7.419 13.977 266 HG12 ILE 37 1HG1 ILE 37 -5.324 7.543 16.469 267 HG13 ILE 37 2HG1 ILE 37 -6.188 8.094 15.048 268 HG21 ILE 37 1HG2 ILE 37 -5.521 4.662 14.357 269 HG22 ILE 37 2HG2 ILE 37 -6.052 5.871 13.164 270 HG23 ILE 37 3HG2 ILE 37 -4.418 5.174 13.057 271 HD11 ILE 37 1HD1 ILE 37 -7.399 5.977 14.873 272 HD12 ILE 37 2HD1 ILE 37 -6.417 5.268 16.177 273 HD13 ILE 37 3HD1 ILE 37 -7.555 6.587 16.538 274 HA PRO 38 HA PRO 38 -1.365 2.707 14.804 275 HB2 PRO 38 1HB PRO 38 -2.571 0.594 16.048 276 HB3 PRO 38 2HB PRO 38 -1.337 1.578 16.810 277 HG2 PRO 38 1HG PRO 38 -4.256 1.572 17.280 278 HG3 PRO 38 2HG PRO 38 -2.981 2.215 18.297 279 HD2 PRO 38 1HD PRO 38 -4.757 3.715 16.617 280 HD3 PRO 38 2HD PRO 38 -3.410 4.344 17.544 281 H LEU 39 H LEU 39 -1.275 1.680 12.895 282 HA LEU 39 HA LEU 39 -3.286 1.834 11.125 283 HB2 LEU 39 1HB LEU 39 -0.937 1.125 10.726 284 HB3 LEU 39 2HB LEU 39 -1.339 -0.465 11.341 285 HG LEU 39 HG LEU 39 -2.503 -1.071 9.467 286 HD11 LEU 39 1HD1 LEU 39 -3.726 0.380 7.984 287 HD12 LEU 39 2HD1 LEU 39 -4.154 0.772 9.666 288 HD13 LEU 39 3HD1 LEU 39 -3.040 1.826 8.763 289 HD21 LEU 39 1HD2 LEU 39 -0.743 1.056 8.230 290 HD22 LEU 39 2HD2 LEU 39 -0.129 -0.476 8.895 291 HD23 LEU 39 3HD2 LEU 39 -1.260 -0.492 7.520 292 H GLY 40 H GLY 40 -2.632 -1.093 13.184 293 HA2 GLY 40 1HA GLY 40 -4.117 -2.498 14.167 294 HA3 GLY 40 2HA GLY 40 -5.444 -1.500 13.603 295 H ALA 41 H ALA 41 -2.847 -2.889 11.532 296 HA ALA 41 HA ALA 41 -4.692 -4.913 10.557 297 HB1 ALA 41 1HB ALA 41 -3.373 -2.927 8.671 298 HB2 ALA 41 2HB ALA 41 -4.572 -4.181 8.273 299 HB3 ALA 41 3HB ALA 41 -5.051 -2.766 9.241 300 H THR 42 H THR 42 -3.576 -6.793 10.455 301 HA THR 42 HA THR 42 -0.674 -6.658 10.525 302 HB THR 42 HB THR 42 -2.365 -9.181 10.570 303 HG1 THR 42 1HG THR 42 -1.882 -7.151 12.638 304 HG21 THR 42 1HG2 THR 42 -0.686 -9.481 12.599 305 HG22 THR 42 2HG2 THR 42 -0.080 -9.716 10.942 306 HG23 THR 42 3HG2 THR 42 0.233 -8.186 11.795 307 H VAL 43 H VAL 43 0.678 -7.971 9.109 308 HA VAL 43 HA VAL 43 -0.588 -8.620 6.562 309 HB VAL 43 HB VAL 43 0.832 -7.305 5.282 310 HG11 VAL 43 1HG1 VAL 43 0.456 -5.462 7.647 311 HG12 VAL 43 2HG1 VAL 43 0.354 -5.089 5.910 312 HG13 VAL 43 3HG1 VAL 43 -0.923 -6.055 6.689 313 HG21 VAL 43 1HG2 VAL 43 2.730 -5.956 6.415 314 HG22 VAL 43 2HG2 VAL 43 2.559 -7.121 7.749 315 HG23 VAL 43 3HG2 VAL 43 2.982 -7.693 6.118 316 H ARG 44 H ARG 44 0.722 -10.109 5.256 317 HA ARG 44 HA ARG 44 2.525 -11.585 6.996 318 HB2 ARG 44 1HB ARG 44 1.952 -13.316 4.914 319 HB3 ARG 44 2HB ARG 44 1.087 -13.283 6.437 320 HG2 ARG 44 1HG ARG 44 -0.540 -11.633 5.459 321 HG3 ARG 44 2HG ARG 44 0.312 -11.718 3.930 322 HD2 ARG 44 1HD ARG 44 -1.444 -13.272 3.625 323 HD3 ARG 44 2HD ARG 44 -0.099 -14.304 4.067 324 HE ARG 44 HE ARG 44 -1.320 -13.608 6.499 325 HH11 ARG 44 2HH2 ARG 44 -2.289 -15.244 3.539 326 HH12 ARG 44 1HH2 ARG 44 -3.470 -16.239 4.324 327 HH21 ARG 44 2HH1 ARG 44 -2.877 -14.921 7.536 328 HH22 ARG 44 1HH1 ARG 44 -3.806 -16.054 6.613 329 H ASN 45 H ASN 45 4.291 -12.861 5.685 330 HA ASN 45 HA ASN 45 5.394 -10.963 3.791 331 HB2 ASN 45 1HB ASN 45 6.488 -12.772 5.848 332 HB3 ASN 45 2HB ASN 45 7.309 -12.991 4.315 333 HD21 ASN 45 1HD2 ASN 45 7.203 -10.506 3.202 334 HD22 ASN 45 2HD2 ASN 45 8.126 -9.368 4.126 335 H GLU 46 H GLU 46 4.507 -11.572 1.759 336 HA GLU 46 HA GLU 46 4.259 -14.347 1.135 337 HB2 GLU 46 1HB GLU 46 3.100 -11.894 0.227 338 HB3 GLU 46 2HB GLU 46 3.889 -12.616 -1.161 339 HG2 GLU 46 1HG GLU 46 1.733 -13.837 0.604 340 HG3 GLU 46 2HG GLU 46 1.661 -13.524 -1.118 341 H MET 47 H MET 47 5.136 -15.153 -1.076 342 HA MET 47 HA MET 47 7.623 -15.606 -1.181 343 HB2 MET 47 1HB MET 47 5.924 -14.568 -3.503 344 HB3 MET 47 2HB MET 47 7.529 -15.215 -3.779 345 HG2 MET 47 1HG MET 47 5.829 -16.952 -2.067 346 HG3 MET 47 2HG MET 47 5.192 -16.723 -3.683 347 HE1 MET 47 1HE MET 47 8.215 -19.634 -2.465 348 HE2 MET 47 2HE MET 47 7.240 -18.540 -1.453 349 HE3 MET 47 3HE MET 47 6.438 -19.700 -2.539 350 H ASP 48 H ASP 48 6.451 -12.491 -2.662 351 HA ASP 48 HA ASP 48 8.832 -11.231 -1.674 352 HB2 ASP 48 1HB ASP 48 8.118 -11.190 -4.644 353 HB3 ASP 48 2HB ASP 48 9.422 -10.285 -3.902 354 H SER 49 H SER 49 5.769 -11.223 -1.420 355 HA SER 49 HA SER 49 5.444 -8.394 -2.014 356 HB2 SER 49 1HB SER 49 3.439 -10.629 -2.528 357 HB3 SER 49 2HB SER 49 2.974 -8.940 -2.468 358 HG SER 49 HG SER 49 4.487 -10.338 -4.425 359 H VAL 50 H VAL 50 3.914 -7.284 -0.533 360 HA VAL 50 HA VAL 50 3.797 -8.684 2.037 361 HB VAL 50 HB VAL 50 3.625 -5.739 1.363 362 HG11 VAL 50 1HG1 VAL 50 4.340 -6.294 4.092 363 HG12 VAL 50 2HG1 VAL 50 2.949 -5.384 3.457 364 HG13 VAL 50 3HG1 VAL 50 2.827 -7.143 3.697 365 HG21 VAL 50 1HG2 VAL 50 5.846 -6.266 0.924 366 HG22 VAL 50 2HG2 VAL 50 5.901 -5.806 2.643 367 HG23 VAL 50 3HG2 VAL 50 5.907 -7.525 2.182 368 H ILE 51 H ILE 51 1.906 -9.915 1.809 369 HA ILE 51 HA ILE 51 -0.500 -8.446 1.051 370 HB ILE 51 HB ILE 51 0.235 -11.352 1.204 371 HG12 ILE 51 1HG1 ILE 51 -0.549 -11.324 -1.141 372 HG13 ILE 51 2HG1 ILE 51 -0.897 -9.612 -1.007 373 HG21 ILE 51 1HG2 ILE 51 -2.150 -11.842 0.595 374 HG22 ILE 51 2HG2 ILE 51 -1.894 -11.313 2.275 375 HG23 ILE 51 3HG2 ILE 51 -2.549 -10.175 1.073 376 HD11 ILE 51 1HD1 ILE 51 1.487 -10.589 -1.898 377 HD12 ILE 51 2HD1 ILE 51 1.322 -9.006 -1.101 378 HD13 ILE 51 3HD1 ILE 51 1.853 -10.423 -0.164 379 H ILE 52 H ILE 52 -2.441 -8.599 2.399 380 HA ILE 52 HA ILE 52 -1.850 -8.088 5.092 381 HB ILE 52 HB ILE 52 -4.493 -8.696 3.762 382 HG12 ILE 52 1HG1 ILE 52 -2.982 -6.782 2.853 383 HG13 ILE 52 2HG1 ILE 52 -4.683 -6.481 3.151 384 HG21 ILE 52 1HG2 ILE 52 -3.933 -7.209 6.341 385 HG22 ILE 52 2HG2 ILE 52 -5.523 -7.548 5.616 386 HG23 ILE 52 3HG2 ILE 52 -4.523 -8.885 6.233 387 HD11 ILE 52 1HD1 ILE 52 -3.043 -4.717 4.051 388 HD12 ILE 52 2HD1 ILE 52 -4.237 -5.337 5.217 389 HD13 ILE 52 3HD1 ILE 52 -2.559 -5.929 5.262 390 H SER 53 H SER 53 -2.434 -9.294 7.007 391 HA SER 53 HA SER 53 -2.629 -12.150 6.445 392 HB2 SER 53 1HB SER 53 -1.091 -12.642 8.163 393 HB3 SER 53 2HB SER 53 -0.391 -11.231 7.394 394 HG SER 53 HG SER 53 -1.530 -11.511 9.965 395 H ARG 54 H ARG 54 -3.351 -9.434 8.715 396 HA ARG 54 HA ARG 54 -5.843 -10.702 9.302 397 HB2 ARG 54 1HB ARG 54 -4.256 -11.645 11.024 398 HB3 ARG 54 2HB ARG 54 -3.885 -10.016 11.554 399 HG2 ARG 54 1HG ARG 54 -6.213 -9.644 12.243 400 HG3 ARG 54 2HG ARG 54 -6.710 -11.175 11.550 401 HD2 ARG 54 1HD ARG 54 -4.698 -12.026 13.229 402 HD3 ARG 54 2HD ARG 54 -5.279 -10.631 14.117 403 HE ARG 54 HE ARG 54 -7.572 -12.081 13.295 404 HH11 ARG 54 2HH2 ARG 54 -4.784 -12.556 15.388 405 HH12 ARG 54 1HH2 ARG 54 -5.608 -13.646 16.453 406 HH21 ARG 54 2HH1 ARG 54 -8.660 -13.519 14.699 407 HH22 ARG 54 1HH1 ARG 54 -7.828 -14.197 16.057 408 H ILE 55 H ILE 55 -7.284 -9.166 10.625 409 HA ILE 55 HA ILE 55 -6.379 -6.392 10.291 410 HB ILE 55 HB ILE 55 -9.022 -7.644 9.574 411 HG12 ILE 55 1HG1 ILE 55 -7.396 -7.759 7.809 412 HG13 ILE 55 2HG1 ILE 55 -8.587 -6.542 7.399 413 HG21 ILE 55 1HG2 ILE 55 -10.126 -5.783 10.049 414 HG22 ILE 55 2HG2 ILE 55 -8.654 -5.114 10.794 415 HG23 ILE 55 3HG2 ILE 55 -8.990 -4.824 9.070 416 HD11 ILE 55 1HD1 ILE 55 -6.527 -5.487 6.896 417 HD12 ILE 55 2HD1 ILE 55 -6.938 -4.835 8.501 418 HD13 ILE 55 3HD1 ILE 55 -5.735 -6.139 8.351 419 H VAL 56 H VAL 56 -6.216 -5.380 12.211 420 HA VAL 56 HA VAL 56 -7.454 -6.581 14.514 421 HB VAL 56 HB VAL 56 -5.890 -4.007 14.356 422 HG11 VAL 56 1HG1 VAL 56 -5.425 -4.331 16.644 423 HG12 VAL 56 2HG1 VAL 56 -7.151 -4.727 16.473 424 HG13 VAL 56 3HG1 VAL 56 -5.948 -6.032 16.601 425 HG21 VAL 56 1HG2 VAL 56 -4.093 -5.132 13.663 426 HG22 VAL 56 2HG2 VAL 56 -4.167 -6.096 15.158 427 HG23 VAL 56 3HG2 VAL 56 -4.990 -6.668 13.688 428 H LYS 57 H LYS 57 -9.004 -5.553 15.897 429 HA LYS 57 HA LYS 57 -10.914 -4.025 14.426 430 HB2 LYS 57 1HB LYS 57 -11.867 -5.593 15.860 431 HB3 LYS 57 2HB LYS 57 -10.763 -5.235 17.172 432 HG2 LYS 57 1HG LYS 57 -11.864 -3.168 17.695 433 HG3 LYS 57 2HG LYS 57 -12.706 -3.128 16.159 434 HD2 LYS 57 1HD LYS 57 -14.381 -3.843 17.672 435 HD3 LYS 57 2HD LYS 57 -13.856 -5.338 16.923 436 HE2 LYS 57 1HE LYS 57 -12.579 -5.996 18.834 437 HE3 LYS 57 2HE LYS 57 -12.542 -4.370 19.486 438 HZ1 LYS 57 1HZ LYS 57 -14.924 -4.537 19.838 439 HZ2 LYS 57 2HZ LYS 57 -14.932 -6.067 19.266 440 HZ3 LYS 57 3HZ LYS 57 -14.127 -5.713 20.642 441 H GLY 58 H GLY 58 -11.721 -1.893 15.022 442 HA2 GLY 58 1HA GLY 58 -11.482 0.264 15.610 443 HA3 GLY 58 2HA GLY 58 -10.438 -0.253 16.919 444 H GLY 59 H GLY 59 -9.324 -1.481 13.904 445 HA2 GLY 59 1HA GLY 59 -7.053 0.315 13.958 446 HA3 GLY 59 2HA GLY 59 -7.283 -1.099 12.948 447 H ALA 60 H ALA 60 -6.707 2.041 12.616 448 HA ALA 60 HA ALA 60 -8.627 3.327 11.260 449 HB1 ALA 60 1HB ALA 60 -6.788 4.642 11.249 450 HB2 ALA 60 2HB ALA 60 -5.684 3.246 11.250 451 HB3 ALA 60 3HB ALA 60 -6.376 3.832 9.719 452 H ALA 61 H ALA 61 -6.719 0.514 10.137 453 HA ALA 61 HA ALA 61 -7.564 0.672 7.448 454 HB1 ALA 61 1HB ALA 61 -6.801 -1.904 8.812 455 HB2 ALA 61 2HB ALA 61 -6.367 -1.309 7.192 456 HB3 ALA 61 3HB ALA 61 -5.588 -0.614 8.634 457 H GLU 62 H GLU 62 -8.588 -1.464 10.211 458 HA GLU 62 HA GLU 62 -10.609 -2.717 8.883 459 HB2 GLU 62 1HB GLU 62 -10.018 -3.610 10.983 460 HB3 GLU 62 2HB GLU 62 -10.112 -2.058 11.791 461 HG2 GLU 62 1HG GLU 62 -12.451 -2.119 11.958 462 HG3 GLU 62 2HG GLU 62 -12.636 -3.148 10.551 463 H LYS 63 H LYS 63 -10.868 0.206 11.040 464 HA LYS 63 HA LYS 63 -13.484 0.732 10.890 465 HB2 LYS 63 1HB LYS 63 -11.326 2.835 10.565 466 HB3 LYS 63 2HB LYS 63 -12.936 3.070 11.215 467 HG2 LYS 63 1HG LYS 63 -12.144 1.075 12.865 468 HG3 LYS 63 2HG LYS 63 -10.560 1.709 12.465 469 HD2 LYS 63 1HD LYS 63 -12.892 3.258 13.681 470 HD3 LYS 63 2HD LYS 63 -11.382 2.846 14.471 471 HE2 LYS 63 1HE LYS 63 -10.505 4.802 13.731 472 HE3 LYS 63 2HE LYS 63 -10.623 4.201 12.089 473 HZ1 LYS 63 1HZ LYS 63 -12.765 5.124 11.891 474 HZ2 LYS 63 2HZ LYS 63 -12.870 5.477 13.481 475 HZ3 LYS 63 3HZ LYS 63 -11.825 6.296 12.531 476 H SER 64 H SER 64 -11.144 2.159 8.496 477 HA SER 64 HA SER 64 -13.130 2.997 6.784 478 HB2 SER 64 1HB SER 64 -11.388 3.566 5.306 479 HB3 SER 64 2HB SER 64 -10.597 3.589 6.869 480 HG SER 64 HG SER 64 -9.571 1.652 6.440 481 H GLY 65 H GLY 65 -11.616 -0.162 7.280 482 HA2 GLY 65 1HA GLY 65 -12.014 -2.186 6.390 483 HA3 GLY 65 2HA GLY 65 -13.566 -1.568 5.860 484 H LEU 66 H LEU 66 -10.739 0.193 4.754 485 HA LEU 66 HA LEU 66 -11.346 -0.561 2.051 486 HB2 LEU 66 1HB LEU 66 -9.179 1.248 3.125 487 HB3 LEU 66 2HB LEU 66 -9.707 1.122 1.459 488 HG LEU 66 HG LEU 66 -11.239 2.259 3.804 489 HD11 LEU 66 1HD1 LEU 66 -11.190 3.943 1.502 490 HD12 LEU 66 2HD1 LEU 66 -10.460 4.211 3.103 491 HD13 LEU 66 3HD1 LEU 66 -9.530 3.388 1.828 492 HD21 LEU 66 1HD2 LEU 66 -13.061 1.370 2.816 493 HD22 LEU 66 2HD2 LEU 66 -12.876 2.756 1.715 494 HD23 LEU 66 3HD2 LEU 66 -12.249 1.158 1.247 495 H LEU 67 H LEU 67 -9.513 -1.899 4.574 496 HA LEU 67 HA LEU 67 -7.818 -3.271 2.606 497 HB2 LEU 67 1HB LEU 67 -7.096 -2.533 5.445 498 HB3 LEU 67 2HB LEU 67 -6.103 -3.458 4.337 499 HG LEU 67 HG LEU 67 -6.977 -0.748 3.446 500 HD11 LEU 67 1HD1 LEU 67 -4.918 0.188 4.653 501 HD12 LEU 67 2HD1 LEU 67 -6.390 -0.090 5.614 502 HD13 LEU 67 3HD1 LEU 67 -5.039 -1.245 5.702 503 HD21 LEU 67 1HD2 LEU 67 -5.268 -2.693 2.469 504 HD22 LEU 67 2HD2 LEU 67 -5.344 -0.992 1.948 505 HD23 LEU 67 3HD2 LEU 67 -4.166 -1.493 3.186 506 H HIS 68 H HIS 68 -8.040 -5.457 2.535 507 HA HIS 68 HA HIS 68 -9.273 -6.721 4.860 508 HB2 HIS 68 1HB HIS 68 -10.238 -6.748 2.019 509 HB3 HIS 68 2HB HIS 68 -10.456 -8.181 3.004 510 HD1 HIS 68 1HD HIS 68 -12.716 -8.238 4.040 511 HD2 HIS 68 2HD HIS 68 -11.249 -4.322 3.709 512 HE1 HIS 68 1HE HIS 68 -14.524 -6.714 4.998 513 H GLU 69 H GLU 69 -8.703 -8.975 5.135 514 HA GLU 69 HA GLU 69 -6.090 -9.513 4.607 515 HB2 GLU 69 1HB GLU 69 -8.365 -11.485 5.099 516 HB3 GLU 69 2HB GLU 69 -6.663 -11.879 5.236 517 HG2 GLU 69 1HG GLU 69 -6.357 -10.307 7.068 518 HG3 GLU 69 2HG GLU 69 -7.946 -9.609 6.819 519 H GLY 70 H GLY 70 -4.928 -10.371 2.905 520 HA2 GLY 70 1HA GLY 70 -4.811 -11.923 1.083 521 HA3 GLY 70 2HA GLY 70 -6.474 -11.547 0.678 522 H ASP 71 H ASP 71 -5.653 -8.564 1.477 523 HA ASP 71 HA ASP 71 -5.338 -7.729 -1.150 524 HB2 ASP 71 1HB ASP 71 -5.721 -6.560 1.450 525 HB3 ASP 71 2HB ASP 71 -4.359 -5.736 0.717 526 H GLU 72 H GLU 72 -3.439 -6.888 -2.247 527 HA GLU 72 HA GLU 72 -0.952 -7.623 -0.915 528 HB2 GLU 72 1HB GLU 72 -1.161 -8.956 -2.873 529 HB3 GLU 72 2HB GLU 72 -1.795 -7.630 -3.827 530 HG2 GLU 72 1HG GLU 72 0.374 -6.509 -3.853 531 HG3 GLU 72 2HG GLU 72 1.032 -7.630 -2.678 532 H VAL 73 H VAL 73 0.286 -5.937 -0.224 533 HA VAL 73 HA VAL 73 -0.342 -3.289 -1.176 534 HB VAL 73 HB VAL 73 1.790 -4.151 0.779 535 HG11 VAL 73 1HG1 VAL 73 1.696 -1.769 -0.192 536 HG12 VAL 73 2HG1 VAL 73 0.212 -1.574 0.773 537 HG13 VAL 73 3HG1 VAL 73 1.757 -1.940 1.579 538 HG21 VAL 73 1HG2 VAL 73 -0.272 -3.328 2.357 539 HG22 VAL 73 2HG2 VAL 73 -1.157 -4.149 1.049 540 HG23 VAL 73 3HG2 VAL 73 0.084 -5.030 1.973 541 H LEU 74 H LEU 74 0.832 -2.083 -2.619 542 HA LEU 74 HA LEU 74 3.367 -3.266 -3.512 543 HB2 LEU 74 1HB LEU 74 1.393 -1.871 -5.313 544 HB3 LEU 74 2HB LEU 74 2.854 -2.723 -5.771 545 HG LEU 74 HG LEU 74 0.384 -4.010 -4.574 546 HD11 LEU 74 1HD1 LEU 74 -0.324 -4.613 -6.671 547 HD12 LEU 74 2HD1 LEU 74 0.374 -3.010 -7.006 548 HD13 LEU 74 3HD1 LEU 74 1.301 -4.482 -7.384 549 HD21 LEU 74 1HD2 LEU 74 1.633 -6.100 -5.539 550 HD22 LEU 74 2HD2 LEU 74 3.076 -5.076 -5.350 551 HD23 LEU 74 3HD2 LEU 74 2.061 -5.451 -3.937 552 H GLU 75 H GLU 75 1.314 -0.273 -3.443 553 HA GLU 75 HA GLU 75 3.749 1.155 -2.765 554 HB2 GLU 75 1HB GLU 75 2.159 1.471 -5.210 555 HB3 GLU 75 2HB GLU 75 2.255 2.974 -4.315 556 HG2 GLU 75 1HG GLU 75 4.617 3.066 -4.451 557 HG3 GLU 75 2HG GLU 75 4.773 1.343 -4.725 558 H ILE 76 H ILE 76 3.431 2.966 -1.359 559 HA ILE 76 HA ILE 76 0.678 3.503 -0.569 560 HB ILE 76 HB ILE 76 2.856 2.505 1.257 561 HG12 ILE 76 1HG1 ILE 76 0.029 1.572 0.684 562 HG13 ILE 76 2HG1 ILE 76 1.514 0.767 0.217 563 HG21 ILE 76 1HG2 ILE 76 2.095 3.712 2.953 564 HG22 ILE 76 2HG2 ILE 76 1.035 4.590 1.825 565 HG23 ILE 76 3HG2 ILE 76 0.435 3.140 2.665 566 HD11 ILE 76 1HD1 ILE 76 1.872 -0.088 2.315 567 HD12 ILE 76 2HD1 ILE 76 1.309 1.395 3.122 568 HD13 ILE 76 3HD1 ILE 76 0.129 0.209 2.516 569 H ASN 77 H ASN 77 0.591 5.607 -1.225 570 HA ASN 77 HA ASN 77 0.925 7.755 -1.118 571 HB2 ASN 77 1HB ASN 77 2.171 6.869 1.313 572 HB3 ASN 77 2HB ASN 77 3.275 8.026 0.596 573 HD21 ASN 77 1HD2 ASN 77 2.068 8.569 2.960 574 HD22 ASN 77 2HD2 ASN 77 0.903 9.840 2.800 575 H GLY 78 H GLY 78 2.572 5.701 -2.736 576 HA2 GLY 78 1HA GLY 78 3.881 6.321 -4.600 577 HA3 GLY 78 2HA GLY 78 4.637 7.589 -3.654 578 H ILE 79 H ILE 79 4.928 5.793 -1.227 579 HA ILE 79 HA ILE 79 7.477 4.759 -1.921 580 HB ILE 79 HB ILE 79 5.800 4.577 0.582 581 HG12 ILE 79 1HG1 ILE 79 7.957 6.148 1.157 582 HG13 ILE 79 2HG1 ILE 79 7.693 6.564 -0.525 583 HG21 ILE 79 1HG2 ILE 79 7.621 2.744 0.111 584 HG22 ILE 79 2HG2 ILE 79 8.748 4.048 0.554 585 HG23 ILE 79 3HG2 ILE 79 7.500 3.521 1.708 586 HD11 ILE 79 1HD1 ILE 79 6.179 7.399 1.779 587 HD12 ILE 79 2HD1 ILE 79 5.954 7.876 0.079 588 HD13 ILE 79 3HD1 ILE 79 5.109 6.447 0.722 589 H GLU 80 H GLU 80 8.106 2.706 -2.461 590 HA GLU 80 HA GLU 80 6.063 0.945 -3.265 591 HB2 GLU 80 1HB GLU 80 8.822 1.308 -3.792 592 HB3 GLU 80 2HB GLU 80 8.705 -0.294 -3.091 593 HG2 GLU 80 1HG GLU 80 6.559 -0.365 -4.804 594 HG3 GLU 80 2HG GLU 80 7.609 0.733 -5.677 595 H ILE 81 H ILE 81 5.909 -1.388 -2.554 596 HA ILE 81 HA ILE 81 6.683 -1.703 0.255 597 HB ILE 81 HB ILE 81 3.976 -2.253 -0.962 598 HG12 ILE 81 1HG1 ILE 81 4.774 0.129 -0.154 599 HG13 ILE 81 2HG1 ILE 81 3.158 -0.458 0.185 600 HG21 ILE 81 1HG2 ILE 81 5.276 -3.252 1.530 601 HG22 ILE 81 2HG2 ILE 81 3.559 -2.789 1.605 602 HG23 ILE 81 3HG2 ILE 81 4.095 -4.035 0.453 603 HD11 ILE 81 1HD1 ILE 81 3.665 -0.958 2.447 604 HD12 ILE 81 2HD1 ILE 81 5.418 -0.981 2.142 605 HD13 ILE 81 3HD1 ILE 81 4.537 0.565 2.152 606 H ARG 82 H ARG 82 5.541 -3.261 -2.804 607 HA ARG 82 HA ARG 82 5.841 -5.812 -2.297 608 HB2 ARG 82 1HB ARG 82 5.576 -4.428 -4.580 609 HB3 ARG 82 2HB ARG 82 7.283 -4.782 -4.754 610 HG2 ARG 82 1HG ARG 82 6.584 -7.267 -4.203 611 HG3 ARG 82 2HG ARG 82 4.963 -6.734 -4.600 612 HD2 ARG 82 1HD ARG 82 6.387 -5.700 -6.735 613 HD3 ARG 82 2HD ARG 82 7.310 -7.150 -6.393 614 HE ARG 82 HE ARG 82 5.437 -8.488 -6.978 615 HH11 ARG 82 2HH2 ARG 82 4.590 -5.073 -6.961 616 HH12 ARG 82 1HH2 ARG 82 3.083 -5.311 -7.782 617 HH21 ARG 82 2HH1 ARG 82 3.450 -8.803 -8.062 618 HH22 ARG 82 1HH1 ARG 82 2.431 -7.447 -8.413 619 H GLY 83 H GLY 83 7.415 -7.152 -1.456 620 HA2 GLY 83 1HA GLY 83 9.565 -8.045 -1.399 621 HA3 GLY 83 2HA GLY 83 10.228 -6.536 -1.994 622 H LYS 84 H LYS 84 8.912 -4.690 -0.210 623 HA LYS 84 HA LYS 84 10.664 -4.564 1.860 624 HB2 LYS 84 1HB LYS 84 7.804 -3.557 1.773 625 HB3 LYS 84 2HB LYS 84 9.021 -3.035 2.920 626 HG2 LYS 84 1HG LYS 84 10.458 -2.564 0.716 627 HG3 LYS 84 2HG LYS 84 8.887 -2.535 -0.059 628 HD2 LYS 84 1HD LYS 84 8.109 -0.754 1.440 629 HD3 LYS 84 2HD LYS 84 9.567 -0.866 2.406 630 HE2 LYS 84 1HE LYS 84 9.450 -0.028 -0.532 631 HE3 LYS 84 2HE LYS 84 9.665 1.058 0.826 632 HZ1 LYS 84 1HZ LYS 84 11.535 -0.846 -0.293 633 HZ2 LYS 84 2HZ LYS 84 11.799 0.667 0.262 634 HZ3 LYS 84 3HZ LYS 84 11.622 -0.569 1.314 635 H ASP 85 H ASP 85 10.162 -4.753 4.285 636 HA ASP 85 HA ASP 85 9.100 -7.415 4.657 637 HB2 ASP 85 1HB ASP 85 11.339 -6.956 5.566 638 HB3 ASP 85 2HB ASP 85 10.740 -5.562 6.443 639 H VAL 86 H VAL 86 7.708 -7.777 6.685 640 HA VAL 86 HA VAL 86 5.521 -6.084 6.719 641 HB VAL 86 HB VAL 86 4.873 -7.350 8.730 642 HG11 VAL 86 1HG1 VAL 86 5.757 -9.660 7.308 643 HG12 VAL 86 2HG1 VAL 86 4.163 -8.869 7.263 644 HG13 VAL 86 3HG1 VAL 86 5.435 -8.375 6.119 645 HG21 VAL 86 1HG2 VAL 86 7.742 -8.276 8.597 646 HG22 VAL 86 2HG2 VAL 86 6.821 -7.659 9.990 647 HG23 VAL 86 3HG2 VAL 86 6.481 -9.284 9.347 648 H ASN 87 H ASN 87 8.268 -6.370 9.076 649 HA ASN 87 HA ASN 87 7.401 -4.450 10.803 650 HB2 ASN 87 1HB ASN 87 9.731 -6.009 10.433 651 HB3 ASN 87 2HB ASN 87 10.325 -4.362 10.368 652 HD21 ASN 87 1HD2 ASN 87 8.307 -6.587 12.238 653 HD22 ASN 87 2HD2 ASN 87 8.593 -5.898 13.801 654 H GLU 88 H GLU 88 9.500 -4.203 7.849 655 HA GLU 88 HA GLU 88 10.146 -1.562 8.035 656 HB2 GLU 88 1HB GLU 88 10.233 -3.651 6.035 657 HB3 GLU 88 2HB GLU 88 9.715 -2.164 5.266 658 HG2 GLU 88 1HG GLU 88 12.235 -2.565 6.942 659 HG3 GLU 88 2HG GLU 88 12.163 -2.283 5.214 660 H VAL 89 H VAL 89 7.282 -3.083 6.405 661 HA VAL 89 HA VAL 89 6.175 -0.712 5.465 662 HB VAL 89 HB VAL 89 5.146 -3.451 6.124 663 HG11 VAL 89 1HG1 VAL 89 3.446 -1.144 5.114 664 HG12 VAL 89 2HG1 VAL 89 2.941 -2.848 5.217 665 HG13 VAL 89 3HG1 VAL 89 3.305 -1.936 6.702 666 HG21 VAL 89 1HG2 VAL 89 6.331 -2.206 3.870 667 HG22 VAL 89 2HG2 VAL 89 5.663 -3.852 3.993 668 HG23 VAL 89 3HG2 VAL 89 4.627 -2.509 3.453 669 H PHE 90 H PHE 90 5.497 -2.573 8.511 670 HA PHE 90 HA PHE 90 3.614 -0.869 9.546 671 HB2 PHE 90 1HB PHE 90 5.874 -2.537 10.795 672 HB3 PHE 90 2HB PHE 90 4.609 -1.816 11.770 673 HD1 PHE 90 2HD PHE 90 2.274 -2.290 9.925 674 HD2 PHE 90 1HD PHE 90 5.463 -4.823 11.116 675 HE1 PHE 90 2HE PHE 90 0.825 -4.300 9.529 676 HE2 PHE 90 1HE PHE 90 4.014 -6.834 10.720 677 HZ PHE 90 HZ PHE 90 1.712 -6.548 9.931 678 H ASP 91 H ASP 91 7.208 -0.663 9.663 679 HA ASP 91 HA ASP 91 7.277 1.413 11.512 680 HB2 ASP 91 1HB ASP 91 9.156 -0.177 10.496 681 HB3 ASP 91 2HB ASP 91 9.338 1.103 9.313 682 H LEU 92 H LEU 92 6.799 1.193 7.986 683 HA LEU 92 HA LEU 92 7.377 3.899 7.402 684 HB2 LEU 92 1HB LEU 92 6.206 1.557 6.006 685 HB3 LEU 92 2HB LEU 92 5.788 3.137 5.375 686 HG LEU 92 HG LEU 92 8.653 2.905 5.878 687 HD11 LEU 92 1HD1 LEU 92 7.830 1.182 3.592 688 HD12 LEU 92 2HD1 LEU 92 9.289 1.129 4.610 689 HD13 LEU 92 3HD1 LEU 92 7.749 0.485 5.228 690 HD21 LEU 92 1HD2 LEU 92 6.859 3.699 3.597 691 HD22 LEU 92 2HD2 LEU 92 7.989 4.691 4.549 692 HD23 LEU 92 3HD2 LEU 92 8.615 3.518 3.366 693 H LEU 93 H LEU 93 4.183 2.157 7.401 694 HA LEU 93 HA LEU 93 2.560 4.300 7.251 695 HB2 LEU 93 1HB LEU 93 2.282 1.698 8.732 696 HB3 LEU 93 2HB LEU 93 0.986 2.878 8.710 697 HG LEU 93 HG LEU 93 0.846 1.000 7.018 698 HD11 LEU 93 1HD1 LEU 93 -0.223 2.336 5.405 699 HD12 LEU 93 2HD1 LEU 93 -0.362 3.243 6.930 700 HD13 LEU 93 3HD1 LEU 93 0.848 3.724 5.716 701 HD21 LEU 93 1HD2 LEU 93 2.143 1.289 4.925 702 HD22 LEU 93 2HD2 LEU 93 3.114 2.544 5.733 703 HD23 LEU 93 3HD2 LEU 93 3.153 0.867 6.329 704 H SER 94 H SER 94 3.650 2.820 10.392 705 HA SER 94 HA SER 94 2.586 4.509 12.112 706 HB2 SER 94 1HB SER 94 4.498 2.593 12.282 707 HB3 SER 94 2HB SER 94 5.511 3.999 12.542 708 HG SER 94 HG SER 94 3.399 4.439 14.086 709 H ASP 95 H ASP 95 5.796 5.087 10.489 710 HA ASP 95 HA ASP 95 6.255 7.550 11.555 711 HB2 ASP 95 1HB ASP 95 7.079 6.085 9.075 712 HB3 ASP 95 2HB ASP 95 7.343 7.817 9.050 713 H MET 96 H MET 96 4.363 6.524 8.656 714 HA MET 96 HA MET 96 3.850 9.208 7.868 715 HB2 MET 96 1HB MET 96 2.476 6.600 7.015 716 HB3 MET 96 2HB MET 96 2.445 8.112 6.129 717 HG2 MET 96 1HG MET 96 5.165 7.744 6.383 718 HG3 MET 96 2HG MET 96 4.625 6.078 6.331 719 HE1 MET 96 1HE MET 96 3.283 5.048 3.827 720 HE2 MET 96 2HE MET 96 2.243 5.930 4.971 721 HE3 MET 96 3HE MET 96 2.193 6.324 3.236 722 H HIS 97 H HIS 97 1.522 10.006 7.558 723 HA HIS 97 HA HIS 97 -0.474 8.854 9.210 724 HB2 HIS 97 1HB HIS 97 -0.592 11.164 10.530 725 HB3 HIS 97 2HB HIS 97 0.299 9.777 11.125 726 HD1 HIS 97 1HD HIS 97 1.272 12.513 8.602 727 HD2 HIS 97 2HD HIS 97 2.628 10.738 12.153 728 HE1 HIS 97 1HE HIS 97 3.507 13.618 9.145 729 H GLY 98 H GLY 98 -2.537 10.149 9.077 730 HA2 GLY 98 1HA GLY 98 -3.864 11.761 8.076 731 HA3 GLY 98 2HA GLY 98 -2.554 12.202 6.998 732 H THR 99 H THR 99 -4.253 12.083 5.279 733 HA THR 99 HA THR 99 -5.440 9.571 4.667 734 HB THR 99 HB THR 99 -5.031 12.001 2.855 735 HG1 THR 99 1HG THR 99 -6.087 12.915 4.594 736 HG21 THR 99 1HG2 THR 99 -6.225 9.743 2.107 737 HG22 THR 99 2HG2 THR 99 -7.536 10.314 3.167 738 HG23 THR 99 3HG2 THR 99 -7.022 11.301 1.778 739 H LEU 100 H LEU 100 -4.031 7.887 4.417 740 HA LEU 100 HA LEU 100 -1.764 8.293 2.646 741 HB2 LEU 100 1HB LEU 100 -2.399 5.686 3.949 742 HB3 LEU 100 2HB LEU 100 -0.847 6.401 3.564 743 HG LEU 100 HG LEU 100 -1.991 8.132 5.462 744 HD11 LEU 100 1HD1 LEU 100 -3.613 6.770 6.334 745 HD12 LEU 100 2HD1 LEU 100 -2.718 5.275 5.970 746 HD13 LEU 100 3HD1 LEU 100 -2.224 6.298 7.341 747 HD21 LEU 100 1HD2 LEU 100 -0.201 6.689 6.908 748 HD22 LEU 100 2HD2 LEU 100 0.298 6.281 5.248 749 HD23 LEU 100 3HD2 LEU 100 0.231 7.983 5.764 750 H THR 101 H THR 101 -1.550 7.372 0.615 751 HA THR 101 HA THR 101 -4.038 6.314 -0.494 752 HB THR 101 HB THR 101 -1.440 7.240 -1.831 753 HG1 THR 101 1HG THR 101 -4.062 8.478 -1.368 754 HG21 THR 101 1HG2 THR 101 -3.927 7.651 -3.295 755 HG22 THR 101 2HG2 THR 101 -2.475 6.759 -3.809 756 HG23 THR 101 3HG2 THR 101 -3.753 5.927 -2.891 757 H PHE 102 H PHE 102 -4.253 4.186 0.020 758 HA PHE 102 HA PHE 102 -1.930 2.482 -0.174 759 HB2 PHE 102 1HB PHE 102 -4.905 2.172 0.522 760 HB3 PHE 102 2HB PHE 102 -3.836 0.784 0.463 761 HD1 PHE 102 2HD PHE 102 -4.542 3.937 2.235 762 HD2 PHE 102 1HD PHE 102 -2.296 0.336 2.232 763 HE1 PHE 102 2HE PHE 102 -3.862 4.359 4.614 764 HE2 PHE 102 1HE PHE 102 -1.616 0.758 4.611 765 HZ PHE 102 HZ PHE 102 -2.407 2.764 5.774 766 H VAL 103 H VAL 103 -1.307 1.587 -2.078 767 HA VAL 103 HA VAL 103 -3.399 1.185 -4.097 768 HB VAL 103 HB VAL 103 -0.420 1.309 -4.548 769 HG11 VAL 103 1HG1 VAL 103 -1.577 2.252 -6.806 770 HG12 VAL 103 2HG1 VAL 103 -1.202 0.533 -6.532 771 HG13 VAL 103 3HG1 VAL 103 -2.851 1.141 -6.247 772 HG21 VAL 103 1HG2 VAL 103 -0.451 3.482 -4.025 773 HG22 VAL 103 2HG2 VAL 103 -1.514 3.729 -5.431 774 HG23 VAL 103 3HG2 VAL 103 -2.219 3.475 -3.816 775 H LEU 104 H LEU 104 -4.182 -0.852 -3.519 776 HA LEU 104 HA LEU 104 -2.239 -3.000 -3.893 777 HB2 LEU 104 1HB LEU 104 -3.646 -4.165 -2.002 778 HB3 LEU 104 2HB LEU 104 -2.228 -3.196 -1.651 779 HG LEU 104 HG LEU 104 -3.949 -1.239 -1.369 780 HD11 LEU 104 1HD1 LEU 104 -5.723 -3.300 -2.025 781 HD12 LEU 104 2HD1 LEU 104 -5.919 -3.057 -0.273 782 HD13 LEU 104 3HD1 LEU 104 -6.124 -1.686 -1.390 783 HD21 LEU 104 1HD2 LEU 104 -4.145 -3.194 0.871 784 HD22 LEU 104 2HD2 LEU 104 -2.520 -2.682 0.355 785 HD23 LEU 104 3HD2 LEU 104 -3.711 -1.468 0.881 786 H ILE 105 H ILE 105 -3.431 -5.148 -4.275 787 HA ILE 105 HA ILE 105 -5.811 -4.534 -5.877 788 HB ILE 105 HB ILE 105 -3.903 -6.858 -6.144 789 HG12 ILE 105 1HG1 ILE 105 -3.929 -4.733 -8.205 790 HG13 ILE 105 2HG1 ILE 105 -3.234 -4.267 -6.665 791 HG21 ILE 105 1HG2 ILE 105 -5.022 -7.408 -8.132 792 HG22 ILE 105 2HG2 ILE 105 -6.317 -7.074 -6.956 793 HG23 ILE 105 3HG2 ILE 105 -5.890 -5.855 -8.181 794 HD11 ILE 105 1HD1 ILE 105 -2.449 -6.811 -8.156 795 HD12 ILE 105 2HD1 ILE 105 -1.571 -5.269 -8.291 796 HD13 ILE 105 3HD1 ILE 105 -1.648 -6.114 -6.727 797 HA PRO 106 HA PRO 106 -7.959 -6.885 -2.920 798 HB2 PRO 106 1HB PRO 106 -10.441 -6.741 -4.055 799 HB3 PRO 106 2HB PRO 106 -9.784 -5.485 -3.026 800 HG2 PRO 106 1HG PRO 106 -10.098 -5.496 -5.965 801 HG3 PRO 106 2HG PRO 106 -9.853 -4.132 -4.893 802 HD2 PRO 106 1HD PRO 106 -7.890 -5.355 -6.590 803 HD3 PRO 106 2HD PRO 106 -7.619 -4.068 -5.433 804 H SER 107 H SER 107 -7.554 -8.984 -2.664 805 HA SER 107 HA SER 107 -7.547 -10.614 -4.952 806 HB2 SER 107 1HB SER 107 -6.058 -11.089 -3.079 807 HB3 SER 107 2HB SER 107 -7.409 -11.243 -1.973 808 HG SER 107 HG SER 107 -6.847 -13.341 -2.523 809 H SER 108 H SER 108 -9.754 -10.260 -5.790 810 HA SER 108 HA SER 108 -11.941 -11.040 -4.166 811 HB2 SER 108 1HB SER 108 -11.661 -9.458 -6.394 812 HB3 SER 108 2HB SER 108 -12.293 -10.918 -7.126 813 HG SER 108 HG SER 108 -14.220 -10.348 -6.416 814 H GLY 109 H GLY 109 -10.394 -13.193 -3.900 815 HA2 GLY 109 1HA GLY 109 -11.492 -15.177 -5.803 816 HA3 GLY 109 2HA GLY 109 -9.856 -15.247 -5.177 817 HA PRO 110 HA PRO 110 -12.800 -16.211 -1.575 818 HB2 PRO 110 1HB PRO 110 -15.472 -16.509 -2.069 819 HB3 PRO 110 2HB PRO 110 -14.767 -15.018 -1.477 820 HG2 PRO 110 1HG PRO 110 -15.733 -15.659 -4.196 821 HG3 PRO 110 2HG PRO 110 -15.431 -14.088 -3.480 822 HD2 PRO 110 1HD PRO 110 -13.761 -15.467 -5.361 823 HD3 PRO 110 2HD PRO 110 -13.404 -13.951 -4.557 824 H SER 111 H SER 111 -12.249 -18.186 -0.934 825 HA SER 111 HA SER 111 -12.914 -20.266 -2.844 826 HB2 SER 111 1HB SER 111 -10.531 -19.780 -1.732 827 HB3 SER 111 2HB SER 111 -11.184 -20.736 -0.417 828 HG SER 111 HG SER 111 -11.075 -22.536 -1.609 829 H SER 112 H SER 112 -14.975 -21.040 -2.422 830 HA SER 112 HA SER 112 -16.235 -20.920 -0.009 831 HB2 SER 112 1HB SER 112 -17.541 -21.353 -1.956 832 HB3 SER 112 2HB SER 112 -16.567 -22.735 -2.416 833 HG SER 112 HG SER 112 -18.469 -22.537 -0.255 834 H GLY 113 H GLY 113 -15.349 -21.722 1.882 835 HA2 GLY 113 1HA GLY 113 -15.405 -24.276 2.679 836 HA3 GLY 113 2HA GLY 113 -13.863 -24.216 1.850 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 3.700 15.217 -35.156 2 HA2 GLY 1 1HA GLY 1 1.606 13.865 -36.754 3 HA3 GLY 1 2HA GLY 1 1.583 15.577 -36.379 4 H SER 2 H SER 2 3.505 16.919 -37.131 5 HA SER 2 HA SER 2 5.010 15.718 -39.256 6 HB2 SER 2 1HB SER 2 2.716 16.634 -40.152 7 HB3 SER 2 2HB SER 2 3.427 18.219 -39.919 8 HG SER 2 HG SER 2 5.268 17.422 -41.271 9 H SER 3 H SER 3 6.871 17.063 -39.878 10 HA SER 3 HA SER 3 7.757 18.623 -37.700 11 HB2 SER 3 1HB SER 3 8.913 17.277 -39.946 12 HB3 SER 3 2HB SER 3 9.410 18.954 -40.060 13 HG SER 3 HG SER 3 10.533 17.135 -38.544 14 H GLY 4 H GLY 4 6.260 20.417 -37.585 15 HA2 GLY 4 1HA GLY 4 7.026 22.709 -39.017 16 HA3 GLY 4 2HA GLY 4 5.576 22.056 -39.753 17 H SER 5 H SER 5 3.907 21.205 -37.882 18 HA SER 5 HA SER 5 3.940 22.784 -35.544 19 HB2 SER 5 1HB SER 5 2.914 24.088 -37.806 20 HB3 SER 5 2HB SER 5 1.477 23.490 -37.000 21 HG SER 5 HG SER 5 1.733 25.300 -35.850 22 H SER 6 H SER 6 3.245 21.198 -34.153 23 HA SER 6 HA SER 6 0.871 19.729 -34.990 24 HB2 SER 6 1HB SER 6 3.162 18.450 -34.997 25 HB3 SER 6 2HB SER 6 3.026 18.489 -33.251 26 HG SER 6 HG SER 6 1.352 17.160 -35.165 27 H GLY 7 H GLY 7 3.007 20.146 -32.062 28 HA2 GLY 7 1HA GLY 7 1.331 21.711 -30.545 29 HA3 GLY 7 2HA GLY 7 0.790 20.068 -30.264 30 HA PRO 8 HA PRO 8 4.682 21.054 -27.873 31 HB2 PRO 8 1HB PRO 8 3.738 22.095 -25.529 32 HB3 PRO 8 2HB PRO 8 4.358 23.084 -26.836 33 HG2 PRO 8 1HG PRO 8 1.553 22.643 -26.014 34 HG3 PRO 8 2HG PRO 8 2.216 23.923 -27.011 35 HD2 PRO 8 1HD PRO 8 0.748 21.631 -27.915 36 HD3 PRO 8 2HD PRO 8 1.511 22.849 -28.917 37 H ILE 9 H ILE 9 5.175 18.923 -27.716 38 HA ILE 9 HA ILE 9 3.456 17.150 -26.393 39 HB ILE 9 HB ILE 9 6.376 16.997 -27.132 40 HG12 ILE 9 1HG1 ILE 9 4.271 15.383 -28.481 41 HG13 ILE 9 2HG1 ILE 9 4.256 17.106 -28.800 42 HG21 ILE 9 1HG2 ILE 9 5.990 15.484 -25.276 43 HG22 ILE 9 2HG2 ILE 9 4.560 14.805 -26.091 44 HG23 ILE 9 3HG2 ILE 9 6.181 14.564 -26.788 45 HD11 ILE 9 1HD1 ILE 9 6.931 16.642 -29.051 46 HD12 ILE 9 2HD1 ILE 9 6.297 15.053 -29.542 47 HD13 ILE 9 3HD1 ILE 9 5.790 16.522 -30.412 48 H THR 10 H THR 10 3.870 15.978 -24.348 49 HA THR 10 HA THR 10 5.612 17.308 -22.455 50 HB THR 10 HB THR 10 2.643 17.081 -21.809 51 HG1 THR 10 1HG THR 10 2.485 18.704 -23.310 52 HG21 THR 10 1HG2 THR 10 3.591 19.332 -20.591 53 HG22 THR 10 2HG2 THR 10 3.650 17.732 -19.812 54 HG23 THR 10 3HG2 THR 10 5.091 18.375 -20.637 55 H ASP 11 H ASP 11 5.700 16.120 -20.354 56 HA ASP 11 HA ASP 11 5.687 13.335 -20.986 57 HB2 ASP 11 1HB ASP 11 6.366 14.597 -18.301 58 HB3 ASP 11 2HB ASP 11 6.936 13.065 -18.934 59 H GLU 12 H GLU 12 3.533 12.532 -20.905 60 HA GLU 12 HA GLU 12 1.793 13.417 -18.830 61 HB2 GLU 12 1HB GLU 12 0.141 11.936 -19.900 62 HB3 GLU 12 2HB GLU 12 0.943 12.928 -21.102 63 HG2 GLU 12 1HG GLU 12 2.617 10.865 -21.276 64 HG3 GLU 12 2HG GLU 12 1.297 9.973 -20.546 65 H ARG 13 H ARG 13 3.767 12.548 -17.336 66 HA ARG 13 HA ARG 13 2.714 10.110 -16.255 67 HB2 ARG 13 1HB ARG 13 5.310 9.421 -15.978 68 HB3 ARG 13 2HB ARG 13 4.375 8.936 -17.379 69 HG2 ARG 13 1HG ARG 13 5.172 11.158 -18.475 70 HG3 ARG 13 2HG ARG 13 6.325 11.266 -17.160 71 HD2 ARG 13 1HD ARG 13 6.148 8.678 -18.721 72 HD3 ARG 13 2HD ARG 13 6.972 10.043 -19.449 73 HE ARG 13 HE ARG 13 8.692 9.865 -17.841 74 HH11 ARG 13 2HH2 ARG 13 5.989 7.789 -16.965 75 HH12 ARG 13 1HH2 ARG 13 6.865 6.955 -15.725 76 HH21 ARG 13 2HH1 ARG 13 9.848 8.766 -16.205 77 HH22 ARG 13 1HH1 ARG 13 9.075 7.515 -15.289 78 H VAL 14 H VAL 14 2.990 13.098 -15.641 79 HA VAL 14 HA VAL 14 4.745 13.000 -13.312 80 HB VAL 14 HB VAL 14 3.248 15.331 -14.521 81 HG11 VAL 14 1HG1 VAL 14 5.002 14.986 -12.188 82 HG12 VAL 14 2HG1 VAL 14 5.514 16.297 -13.279 83 HG13 VAL 14 3HG1 VAL 14 3.872 16.301 -12.592 84 HG21 VAL 14 1HG2 VAL 14 4.752 14.426 -16.200 85 HG22 VAL 14 2HG2 VAL 14 5.417 15.948 -15.560 86 HG23 VAL 14 3HG2 VAL 14 6.091 14.389 -15.027 87 H TYR 15 H TYR 15 2.023 11.594 -13.693 88 HA TYR 15 HA TYR 15 0.366 13.020 -11.795 89 HB2 TYR 15 1HB TYR 15 0.148 10.234 -13.091 90 HB3 TYR 15 2HB TYR 15 -1.177 11.133 -12.378 91 HD1 TYR 15 1HD TYR 15 -1.828 13.382 -13.488 92 HD2 TYR 15 2HD TYR 15 0.631 10.439 -15.385 93 HE1 TYR 15 1HE TYR 15 -2.352 14.398 -15.759 94 HE2 TYR 15 2HE TYR 15 0.098 11.464 -17.650 95 HH TYR 15 HH TYR 15 -1.187 12.872 -18.727 96 H GLU 16 H GLU 16 -0.834 10.831 -10.458 97 HA GLU 16 HA GLU 16 1.413 10.030 -8.783 98 HB2 GLU 16 1HB GLU 16 -1.004 11.358 -8.134 99 HB3 GLU 16 2HB GLU 16 -1.209 9.726 -7.528 100 HG2 GLU 16 1HG GLU 16 1.446 11.026 -6.995 101 HG3 GLU 16 2HG GLU 16 0.070 11.678 -6.126 102 H SER 17 H SER 17 -0.251 8.102 -7.263 103 HA SER 17 HA SER 17 0.324 5.841 -8.655 104 HB2 SER 17 1HB SER 17 -1.470 4.790 -7.075 105 HB3 SER 17 2HB SER 17 -0.064 5.552 -6.357 106 HG SER 17 HG SER 17 -1.269 7.295 -5.702 107 H ILE 18 H ILE 18 -0.471 5.164 -10.612 108 HA ILE 18 HA ILE 18 -3.030 6.110 -11.503 109 HB ILE 18 HB ILE 18 -1.125 4.177 -12.822 110 HG12 ILE 18 1HG1 ILE 18 0.095 6.197 -12.296 111 HG13 ILE 18 2HG1 ILE 18 -0.224 6.130 -14.018 112 HG21 ILE 18 1HG2 ILE 18 -2.229 5.140 -14.900 113 HG22 ILE 18 2HG2 ILE 18 -3.213 4.039 -13.906 114 HG23 ILE 18 3HG2 ILE 18 -3.474 5.797 -13.810 115 HD11 ILE 18 1HD1 ILE 18 -0.651 8.400 -13.046 116 HD12 ILE 18 2HD1 ILE 18 -2.108 7.695 -13.786 117 HD13 ILE 18 3HD1 ILE 18 -1.919 7.693 -12.016 118 H GLY 19 H GLY 19 -4.607 4.463 -12.515 119 HA2 GLY 19 1HA GLY 19 -5.352 2.621 -10.440 120 HA3 GLY 19 2HA GLY 19 -6.197 2.950 -11.940 121 H HIS 20 H HIS 20 -4.861 2.184 -14.021 122 HA HIS 20 HA HIS 20 -4.317 -0.609 -13.517 123 HB2 HIS 20 1HB HIS 20 -4.226 -0.622 -16.090 124 HB3 HIS 20 2HB HIS 20 -5.771 -0.371 -15.301 125 HD1 HIS 20 1HD HIS 20 -6.673 0.857 -17.437 126 HD2 HIS 20 2HD HIS 20 -3.413 2.739 -15.585 127 HE1 HIS 20 1HE HIS 20 -6.533 3.199 -18.442 128 H TYR 21 H TYR 21 -2.273 -0.871 -12.661 129 HA TYR 21 HA TYR 21 -0.081 0.729 -13.443 130 HB2 TYR 21 1HB TYR 21 -0.706 -1.817 -11.905 131 HB3 TYR 21 2HB TYR 21 0.972 -1.564 -12.344 132 HD1 TYR 21 1HD TYR 21 -0.916 1.468 -11.766 133 HD2 TYR 21 2HD TYR 21 1.381 -1.588 -9.845 134 HE1 TYR 21 1HE TYR 21 -0.608 2.966 -9.735 135 HE2 TYR 21 2HE TYR 21 1.682 -0.080 -7.821 136 HH TYR 21 HH TYR 21 0.806 1.746 -6.794 137 H GLY 22 H GLY 22 -0.829 0.260 -15.898 138 HA2 GLY 22 1HA GLY 22 -0.359 -0.707 -17.878 139 HA3 GLY 22 2HA GLY 22 1.248 -0.921 -17.212 140 H GLY 23 H GLY 23 -1.824 -2.466 -17.992 141 HA2 GLY 23 1HA GLY 23 -1.932 -4.722 -18.601 142 HA3 GLY 23 2HA GLY 23 -0.564 -5.083 -17.567 143 H GLU 24 H GLU 24 -0.893 -4.840 -15.138 144 HA GLU 24 HA GLU 24 -3.301 -6.160 -14.472 145 HB2 GLU 24 1HB GLU 24 -2.345 -6.429 -12.306 146 HB3 GLU 24 2HB GLU 24 -0.989 -6.505 -13.413 147 HG2 GLU 24 1HG GLU 24 -1.318 -3.741 -12.804 148 HG3 GLU 24 2HG GLU 24 -1.512 -4.581 -11.279 149 H THR 25 H THR 25 -4.076 -5.159 -11.988 150 HA THR 25 HA THR 25 -4.638 -2.322 -12.381 151 HB THR 25 HB THR 25 -7.128 -3.166 -11.709 152 HG1 THR 25 1HG THR 25 -7.399 -5.283 -12.481 153 HG21 THR 25 1HG2 THR 25 -6.299 -3.635 -14.591 154 HG22 THR 25 2HG2 THR 25 -7.779 -2.869 -13.966 155 HG23 THR 25 3HG2 THR 25 -6.234 -1.986 -13.922 156 H VAL 26 H VAL 26 -4.322 -1.224 -10.552 157 HA VAL 26 HA VAL 26 -4.352 -2.805 -8.076 158 HB VAL 26 HB VAL 26 -2.905 -0.840 -7.276 159 HG11 VAL 26 1HG1 VAL 26 -2.233 -3.210 -8.868 160 HG12 VAL 26 2HG1 VAL 26 -0.967 -1.959 -8.901 161 HG13 VAL 26 3HG1 VAL 26 -1.532 -2.614 -7.345 162 HG21 VAL 26 1HG2 VAL 26 -1.754 0.478 -8.868 163 HG22 VAL 26 2HG2 VAL 26 -2.328 -0.516 -10.229 164 HG23 VAL 26 3HG2 VAL 26 -3.465 0.538 -9.354 165 H LYS 27 H LYS 27 -5.503 -2.030 -6.275 166 HA LYS 27 HA LYS 27 -7.463 0.021 -6.972 167 HB2 LYS 27 1HB LYS 27 -8.457 -2.049 -6.313 168 HB3 LYS 27 2HB LYS 27 -7.426 -2.186 -4.903 169 HG2 LYS 27 1HG LYS 27 -8.498 0.155 -4.236 170 HG3 LYS 27 2HG LYS 27 -9.753 -0.303 -5.369 171 HD2 LYS 27 1HD LYS 27 -9.916 -2.542 -4.099 172 HD3 LYS 27 2HD LYS 27 -8.875 -1.833 -2.881 173 HE2 LYS 27 1HE LYS 27 -10.578 -0.601 -1.995 174 HE3 LYS 27 2HE LYS 27 -11.081 -0.017 -3.569 175 HZ1 LYS 27 1HZ LYS 27 -12.759 -1.411 -3.443 176 HZ2 LYS 27 2HZ LYS 27 -11.741 -2.689 -3.450 177 HZ3 LYS 27 3HZ LYS 27 -12.225 -2.038 -2.032 178 H ILE 28 H ILE 28 -7.179 2.057 -6.253 179 HA ILE 28 HA ILE 28 -5.208 2.471 -4.156 180 HB ILE 28 HB ILE 28 -6.596 4.338 -6.078 181 HG12 ILE 28 1HG1 ILE 28 -3.933 4.535 -6.576 182 HG13 ILE 28 2HG1 ILE 28 -4.025 2.858 -6.075 183 HG21 ILE 28 1HG2 ILE 28 -6.165 5.968 -4.623 184 HG22 ILE 28 2HG2 ILE 28 -5.200 4.896 -3.581 185 HG23 ILE 28 3HG2 ILE 28 -4.443 5.696 -4.980 186 HD11 ILE 28 1HD1 ILE 28 -5.021 2.249 -8.019 187 HD12 ILE 28 2HD1 ILE 28 -6.252 3.524 -7.856 188 HD13 ILE 28 3HD1 ILE 28 -4.684 3.893 -8.613 189 H VAL 29 H VAL 29 -5.824 2.601 -2.073 190 HA VAL 29 HA VAL 29 -8.537 3.612 -1.567 191 HB VAL 29 HB VAL 29 -7.818 2.046 0.608 192 HG11 VAL 29 1HG1 VAL 29 -10.055 2.103 -0.123 193 HG12 VAL 29 2HG1 VAL 29 -9.624 1.594 -1.773 194 HG13 VAL 29 3HG1 VAL 29 -9.528 0.431 -0.429 195 HG21 VAL 29 1HG2 VAL 29 -7.178 0.485 -1.913 196 HG22 VAL 29 2HG2 VAL 29 -5.948 1.133 -0.802 197 HG23 VAL 29 3HG2 VAL 29 -7.108 -0.090 -0.230 198 H ARG 30 H ARG 30 -8.498 5.553 -0.571 199 HA ARG 30 HA ARG 30 -6.042 6.291 0.740 200 HB2 ARG 30 1HB ARG 30 -8.541 7.864 -0.046 201 HB3 ARG 30 2HB ARG 30 -7.225 8.583 0.860 202 HG2 ARG 30 1HG ARG 30 -5.639 7.906 -1.000 203 HG3 ARG 30 2HG ARG 30 -7.015 7.323 -1.915 204 HD2 ARG 30 1HD ARG 30 -7.802 9.914 -1.159 205 HD3 ARG 30 2HD ARG 30 -6.090 10.096 -1.490 206 HE ARG 30 HE ARG 30 -7.181 8.546 -3.605 207 HH11 ARG 30 2HH2 ARG 30 -7.465 11.806 -2.312 208 HH12 ARG 30 1HH2 ARG 30 -7.879 12.513 -3.838 209 HH21 ARG 30 2HH1 ARG 30 -7.727 9.478 -5.619 210 HH22 ARG 30 1HH1 ARG 30 -8.028 11.179 -5.732 211 H ILE 31 H ILE 31 -5.879 5.809 2.910 212 HA ILE 31 HA ILE 31 -8.360 5.877 4.474 213 HB ILE 31 HB ILE 31 -5.777 4.371 4.879 214 HG12 ILE 31 1HG1 ILE 31 -8.597 3.379 4.372 215 HG13 ILE 31 2HG1 ILE 31 -7.337 3.481 3.158 216 HG21 ILE 31 1HG2 ILE 31 -6.458 3.660 6.963 217 HG22 ILE 31 2HG2 ILE 31 -6.995 5.357 6.971 218 HG23 ILE 31 3HG2 ILE 31 -8.168 4.054 6.663 219 HD11 ILE 31 1HD1 ILE 31 -6.306 2.115 5.514 220 HD12 ILE 31 2HD1 ILE 31 -7.812 1.342 4.963 221 HD13 ILE 31 3HD1 ILE 31 -6.440 1.518 3.843 222 H GLU 32 H GLU 32 -8.487 7.127 6.353 223 HA GLU 32 HA GLU 32 -6.406 9.135 6.496 224 HB2 GLU 32 1HB GLU 32 -9.204 9.040 7.707 225 HB3 GLU 32 2HB GLU 32 -8.088 10.376 7.908 226 HG2 GLU 32 1HG GLU 32 -8.030 10.096 5.171 227 HG3 GLU 32 2HG GLU 32 -9.667 9.565 5.504 228 H LYS 33 H LYS 33 -4.837 8.984 8.036 229 HA LYS 33 HA LYS 33 -5.547 7.569 10.508 230 HB2 LYS 33 1HB LYS 33 -3.275 7.134 8.633 231 HB3 LYS 33 2HB LYS 33 -2.906 7.070 10.344 232 HG2 LYS 33 1HG LYS 33 -4.577 5.335 10.725 233 HG3 LYS 33 2HG LYS 33 -5.223 5.520 9.106 234 HD2 LYS 33 1HD LYS 33 -3.842 3.603 8.927 235 HD3 LYS 33 2HD LYS 33 -2.846 4.881 8.262 236 HE2 LYS 33 1HE LYS 33 -1.954 5.147 10.735 237 HE3 LYS 33 2HE LYS 33 -2.632 3.550 10.981 238 HZ1 LYS 33 1HZ LYS 33 -0.429 4.348 9.276 239 HZ2 LYS 33 2HZ LYS 33 -0.570 3.042 10.247 240 HZ3 LYS 33 3HZ LYS 33 -1.330 3.071 8.802 241 H ALA 34 H ALA 34 -5.047 8.614 12.400 242 HA ALA 34 HA ALA 34 -4.290 11.351 12.179 243 HB1 ALA 34 1HB ALA 34 -4.768 11.428 14.518 244 HB2 ALA 34 2HB ALA 34 -5.942 10.286 13.819 245 HB3 ALA 34 3HB ALA 34 -4.522 9.674 14.700 246 H ARG 35 H ARG 35 -2.537 12.176 13.859 247 HA ARG 35 HA ARG 35 -0.136 10.910 13.010 248 HB2 ARG 35 1HB ARG 35 -0.460 13.251 14.951 249 HB3 ARG 35 2HB ARG 35 0.986 12.834 14.053 250 HG2 ARG 35 1HG ARG 35 -0.555 13.115 11.922 251 HG3 ARG 35 2HG ARG 35 -1.614 13.995 13.006 252 HD2 ARG 35 1HD ARG 35 -0.013 15.704 13.403 253 HD3 ARG 35 2HD ARG 35 1.336 14.694 12.922 254 HE ARG 35 HE ARG 35 0.999 15.376 10.717 255 HH11 ARG 35 2HH2 ARG 35 -1.991 15.856 12.509 256 HH12 ARG 35 1HH2 ARG 35 -2.808 16.625 11.190 257 HH21 ARG 35 2HH1 ARG 35 -0.078 16.391 8.976 258 HH22 ARG 35 1HH1 ARG 35 -1.713 16.931 9.167 259 H ASP 36 H ASP 36 -2.101 9.611 15.014 260 HA ASP 36 HA ASP 36 -0.094 8.583 16.700 261 HB2 ASP 36 1HB ASP 36 -0.747 10.735 17.889 262 HB3 ASP 36 2HB ASP 36 -2.381 10.114 18.025 263 H ILE 37 H ILE 37 -2.100 7.742 14.673 264 HA ILE 37 HA ILE 37 -3.831 6.078 16.368 265 HB ILE 37 HB ILE 37 -4.334 7.598 13.871 266 HG12 ILE 37 1HG1 ILE 37 -5.199 7.908 16.379 267 HG13 ILE 37 2HG1 ILE 37 -6.153 8.365 14.982 268 HG21 ILE 37 1HG2 ILE 37 -6.280 6.027 13.385 269 HG22 ILE 37 2HG2 ILE 37 -4.656 5.472 12.914 270 HG23 ILE 37 3HG2 ILE 37 -5.424 4.829 14.386 271 HD11 ILE 37 1HD1 ILE 37 -7.499 6.395 15.098 272 HD12 ILE 37 2HD1 ILE 37 -6.340 5.571 16.168 273 HD13 ILE 37 3HD1 ILE 37 -7.319 6.922 16.789 274 HA PRO 38 HA PRO 38 -1.471 2.856 14.659 275 HB2 PRO 38 1HB PRO 38 -2.736 0.767 15.887 276 HB3 PRO 38 2HB PRO 38 -1.469 1.703 16.653 277 HG2 PRO 38 1HG PRO 38 -4.383 1.785 17.139 278 HG3 PRO 38 2HG PRO 38 -3.084 2.375 18.155 279 HD2 PRO 38 1HD PRO 38 -4.821 3.950 16.502 280 HD3 PRO 38 2HD PRO 38 -3.449 4.526 17.428 281 H LEU 39 H LEU 39 -1.476 1.257 13.041 282 HA LEU 39 HA LEU 39 -3.556 1.661 11.200 283 HB2 LEU 39 1HB LEU 39 -1.248 1.097 10.609 284 HB3 LEU 39 2HB LEU 39 -1.435 -0.486 11.337 285 HG LEU 39 HG LEU 39 -3.228 -0.998 9.670 286 HD11 LEU 39 1HD1 LEU 39 -3.783 1.425 9.233 287 HD12 LEU 39 2HD1 LEU 39 -2.318 1.496 8.223 288 HD13 LEU 39 3HD1 LEU 39 -3.643 0.389 7.792 289 HD21 LEU 39 1HD2 LEU 39 -1.735 -1.781 8.132 290 HD22 LEU 39 2HD2 LEU 39 -0.814 -0.260 8.076 291 HD23 LEU 39 3HD2 LEU 39 -0.614 -1.371 9.452 292 H GLY 40 H GLY 40 -2.692 -1.222 13.239 293 HA2 GLY 40 1HA GLY 40 -4.059 -2.720 14.246 294 HA3 GLY 40 2HA GLY 40 -5.452 -1.770 13.771 295 H ALA 41 H ALA 41 -2.903 -3.053 11.568 296 HA ALA 41 HA ALA 41 -4.754 -5.093 10.628 297 HB1 ALA 41 1HB ALA 41 -3.456 -3.192 8.661 298 HB2 ALA 41 2HB ALA 41 -4.805 -4.322 8.397 299 HB3 ALA 41 3HB ALA 41 -5.054 -2.848 9.364 300 H THR 42 H THR 42 -3.612 -6.958 10.610 301 HA THR 42 HA THR 42 -0.715 -6.804 10.549 302 HB THR 42 HB THR 42 -2.385 -9.336 10.704 303 HG1 THR 42 1HG THR 42 -1.775 -7.387 12.810 304 HG21 THR 42 1HG2 THR 42 0.309 -8.362 11.592 305 HG22 THR 42 2HG2 THR 42 -0.576 -9.368 12.763 306 HG23 THR 42 3HG2 THR 42 -0.205 -10.006 11.143 307 H VAL 43 H VAL 43 0.626 -7.972 9.072 308 HA VAL 43 HA VAL 43 -0.730 -8.747 6.600 309 HB VAL 43 HB VAL 43 0.646 -7.439 5.247 310 HG11 VAL 43 1HG1 VAL 43 0.089 -5.225 5.819 311 HG12 VAL 43 2HG1 VAL 43 -1.144 -6.217 6.633 312 HG13 VAL 43 3HG1 VAL 43 0.216 -5.547 7.565 313 HG21 VAL 43 1HG2 VAL 43 2.533 -6.039 6.204 314 HG22 VAL 43 2HG2 VAL 43 2.363 -6.984 7.702 315 HG23 VAL 43 3HG2 VAL 43 2.806 -7.797 6.182 316 H ARG 44 H ARG 44 0.492 -10.286 5.311 317 HA ARG 44 HA ARG 44 2.429 -11.663 6.983 318 HB2 ARG 44 1HB ARG 44 1.813 -13.507 5.061 319 HB3 ARG 44 2HB ARG 44 0.917 -13.355 6.559 320 HG2 ARG 44 1HG ARG 44 -0.715 -11.835 5.455 321 HG3 ARG 44 2HG ARG 44 0.197 -11.919 3.960 322 HD2 ARG 44 1HD ARG 44 -1.525 -13.523 3.641 323 HD3 ARG 44 2HD ARG 44 -0.144 -14.501 4.095 324 HE ARG 44 HE ARG 44 -1.401 -13.867 6.519 325 HH11 ARG 44 2HH2 ARG 44 -2.322 -15.497 3.539 326 HH12 ARG 44 1HH2 ARG 44 -3.479 -16.529 4.311 327 HH21 ARG 44 2HH1 ARG 44 -2.928 -15.229 7.538 328 HH22 ARG 44 1HH1 ARG 44 -3.826 -16.376 6.601 329 H ASN 45 H ASN 45 4.209 -12.866 5.696 330 HA ASN 45 HA ASN 45 5.171 -11.024 3.692 331 HB2 ASN 45 1HB ASN 45 6.586 -11.840 5.697 332 HB3 ASN 45 2HB ASN 45 6.628 -13.414 4.929 333 HD21 ASN 45 1HD2 ASN 45 6.849 -10.058 3.746 334 HD22 ASN 45 2HD2 ASN 45 8.345 -10.226 2.889 335 H GLU 46 H GLU 46 5.047 -11.594 1.510 336 HA GLU 46 HA GLU 46 4.545 -14.412 0.959 337 HB2 GLU 46 1HB GLU 46 3.197 -12.018 0.115 338 HB3 GLU 46 2HB GLU 46 3.934 -12.730 -1.307 339 HG2 GLU 46 1HG GLU 46 1.978 -14.043 0.624 340 HG3 GLU 46 2HG GLU 46 1.740 -13.722 -1.083 341 H MET 47 H MET 47 5.372 -15.130 -1.300 342 HA MET 47 HA MET 47 7.846 -15.446 -1.562 343 HB2 MET 47 1HB MET 47 6.019 -14.336 -3.750 344 HB3 MET 47 2HB MET 47 7.635 -14.897 -4.127 345 HG2 MET 47 1HG MET 47 6.093 -16.813 -2.465 346 HG3 MET 47 2HG MET 47 5.357 -16.502 -4.024 347 HE1 MET 47 1HE MET 47 7.534 -18.133 -1.958 348 HE2 MET 47 2HE MET 47 8.176 -19.422 -3.004 349 HE3 MET 47 3HE MET 47 9.177 -17.999 -2.628 350 H ASP 48 H ASP 48 6.499 -12.288 -2.782 351 HA ASP 48 HA ASP 48 8.839 -10.983 -1.784 352 HB2 ASP 48 1HB ASP 48 8.125 -10.796 -4.747 353 HB3 ASP 48 2HB ASP 48 9.433 -9.947 -3.949 354 H SER 49 H SER 49 5.789 -11.105 -1.513 355 HA SER 49 HA SER 49 5.343 -8.273 -1.997 356 HB2 SER 49 1HB SER 49 3.427 -10.561 -2.608 357 HB3 SER 49 2HB SER 49 2.901 -8.894 -2.486 358 HG SER 49 HG SER 49 4.730 -8.506 -4.147 359 H VAL 50 H VAL 50 3.755 -7.296 -0.477 360 HA VAL 50 HA VAL 50 3.673 -8.825 2.022 361 HB VAL 50 HB VAL 50 3.580 -5.862 1.433 362 HG11 VAL 50 1HG1 VAL 50 3.946 -6.252 4.190 363 HG12 VAL 50 2HG1 VAL 50 2.507 -5.597 3.373 364 HG13 VAL 50 3HG1 VAL 50 2.610 -7.337 3.735 365 HG21 VAL 50 1HG2 VAL 50 5.660 -6.254 3.145 366 HG22 VAL 50 2HG2 VAL 50 5.699 -7.773 2.219 367 HG23 VAL 50 3HG2 VAL 50 5.813 -6.211 1.372 368 H ILE 51 H ILE 51 1.795 -10.037 1.872 369 HA ILE 51 HA ILE 51 -0.621 -8.619 1.054 370 HB ILE 51 HB ILE 51 0.154 -11.508 1.292 371 HG12 ILE 51 1HG1 ILE 51 -0.871 -11.435 -1.072 372 HG13 ILE 51 2HG1 ILE 51 -0.791 -9.690 -0.926 373 HG21 ILE 51 1HG2 ILE 51 -2.028 -11.291 2.393 374 HG22 ILE 51 2HG2 ILE 51 -2.671 -10.463 0.954 375 HG23 ILE 51 3HG2 ILE 51 -2.150 -12.161 0.845 376 HD11 ILE 51 1HD1 ILE 51 1.389 -9.769 -1.523 377 HD12 ILE 51 2HD1 ILE 51 1.739 -10.685 -0.037 378 HD13 ILE 51 3HD1 ILE 51 1.339 -11.548 -1.542 379 H ILE 52 H ILE 52 -2.610 -8.900 2.382 380 HA ILE 52 HA ILE 52 -2.023 -8.283 5.084 381 HB ILE 52 HB ILE 52 -4.670 -8.873 3.755 382 HG12 ILE 52 1HG1 ILE 52 -3.320 -7.095 2.621 383 HG13 ILE 52 2HG1 ILE 52 -4.860 -6.554 3.258 384 HG21 ILE 52 1HG2 ILE 52 -5.722 -8.227 5.631 385 HG22 ILE 52 2HG2 ILE 52 -4.192 -8.670 6.425 386 HG23 ILE 52 3HG2 ILE 52 -4.516 -6.971 6.004 387 HD11 ILE 52 1HD1 ILE 52 -2.591 -5.192 3.714 388 HD12 ILE 52 2HD1 ILE 52 -3.889 -5.266 4.930 389 HD13 ILE 52 3HD1 ILE 52 -2.472 -6.334 5.074 390 H SER 53 H SER 53 -2.489 -9.478 6.991 391 HA SER 53 HA SER 53 -2.796 -12.329 6.451 392 HB2 SER 53 1HB SER 53 -1.258 -12.837 8.159 393 HB3 SER 53 2HB SER 53 -0.542 -11.432 7.395 394 HG SER 53 HG SER 53 -1.056 -10.154 9.118 395 H ARG 54 H ARG 54 -3.472 -9.582 8.698 396 HA ARG 54 HA ARG 54 -5.988 -10.789 9.290 397 HB2 ARG 54 1HB ARG 54 -4.465 -11.802 11.010 398 HB3 ARG 54 2HB ARG 54 -3.988 -10.198 11.531 399 HG2 ARG 54 1HG ARG 54 -6.263 -9.682 12.269 400 HG3 ARG 54 2HG ARG 54 -6.885 -11.156 11.556 401 HD2 ARG 54 1HD ARG 54 -4.861 -12.118 13.222 402 HD3 ARG 54 2HD ARG 54 -5.485 -10.763 14.141 403 HE ARG 54 HE ARG 54 -7.711 -12.250 13.145 404 HH11 ARG 54 2HH2 ARG 54 -5.081 -12.589 15.458 405 HH12 ARG 54 1HH2 ARG 54 -5.952 -13.680 16.482 406 HH21 ARG 54 2HH1 ARG 54 -8.861 -13.690 14.496 407 HH22 ARG 54 1HH1 ARG 54 -8.117 -14.311 15.932 408 H ILE 55 H ILE 55 -7.375 -9.221 10.648 409 HA ILE 55 HA ILE 55 -6.401 -6.472 10.299 410 HB ILE 55 HB ILE 55 -9.132 -7.608 9.707 411 HG12 ILE 55 1HG1 ILE 55 -7.548 -7.952 7.910 412 HG13 ILE 55 2HG1 ILE 55 -8.715 -6.729 7.450 413 HG21 ILE 55 1HG2 ILE 55 -8.720 -4.773 9.119 414 HG22 ILE 55 2HG2 ILE 55 -10.092 -5.602 9.891 415 HG23 ILE 55 3HG2 ILE 55 -8.669 -5.145 10.858 416 HD11 ILE 55 1HD1 ILE 55 -6.805 -5.594 6.832 417 HD12 ILE 55 2HD1 ILE 55 -6.832 -5.105 8.543 418 HD13 ILE 55 3HD1 ILE 55 -5.789 -6.448 8.017 419 H VAL 56 H VAL 56 -6.215 -5.417 12.195 420 HA VAL 56 HA VAL 56 -7.416 -6.599 14.536 421 HB VAL 56 HB VAL 56 -5.791 -4.066 14.345 422 HG11 VAL 56 1HG1 VAL 56 -5.271 -4.420 16.620 423 HG12 VAL 56 2HG1 VAL 56 -7.014 -4.757 16.488 424 HG13 VAL 56 3HG1 VAL 56 -5.852 -6.102 16.581 425 HG21 VAL 56 1HG2 VAL 56 -4.146 -5.308 13.446 426 HG22 VAL 56 2HG2 VAL 56 -3.995 -6.019 15.071 427 HG23 VAL 56 3HG2 VAL 56 -4.965 -6.842 13.826 428 H LYS 57 H LYS 57 -8.960 -5.585 15.902 429 HA LYS 57 HA LYS 57 -10.780 -3.904 14.460 430 HB2 LYS 57 1HB LYS 57 -11.840 -5.548 15.727 431 HB3 LYS 57 2HB LYS 57 -10.787 -5.324 17.109 432 HG2 LYS 57 1HG LYS 57 -12.957 -4.340 17.632 433 HG3 LYS 57 2HG LYS 57 -11.788 -3.044 17.478 434 HD2 LYS 57 1HD LYS 57 -13.294 -2.106 16.042 435 HD3 LYS 57 2HD LYS 57 -12.676 -3.253 14.870 436 HE2 LYS 57 1HE LYS 57 -15.058 -3.752 16.720 437 HE3 LYS 57 2HE LYS 57 -15.176 -3.311 15.029 438 HZ1 LYS 57 1HZ LYS 57 -13.880 -5.737 16.064 439 HZ2 LYS 57 2HZ LYS 57 -15.332 -5.671 15.320 440 HZ3 LYS 57 3HZ LYS 57 -13.971 -5.323 14.487 441 H GLY 58 H GLY 58 -11.414 -1.760 15.016 442 HA2 GLY 58 1HA GLY 58 -11.211 0.283 15.997 443 HA3 GLY 58 2HA GLY 58 -10.024 -0.356 17.115 444 H GLY 59 H GLY 59 -8.937 -1.467 14.186 445 HA2 GLY 59 1HA GLY 59 -6.827 0.461 14.060 446 HA3 GLY 59 2HA GLY 59 -7.083 -0.919 13.011 447 H ALA 60 H ALA 60 -6.296 1.836 12.253 448 HA ALA 60 HA ALA 60 -8.484 3.249 11.227 449 HB1 ALA 60 1HB ALA 60 -6.519 4.110 9.665 450 HB2 ALA 60 2HB ALA 60 -6.542 4.506 11.400 451 HB3 ALA 60 3HB ALA 60 -5.506 3.188 10.801 452 H ALA 61 H ALA 61 -6.784 0.350 10.177 453 HA ALA 61 HA ALA 61 -7.559 0.541 7.445 454 HB1 ALA 61 1HB ALA 61 -5.740 -0.925 8.902 455 HB2 ALA 61 2HB ALA 61 -7.008 -2.133 8.584 456 HB3 ALA 61 3HB ALA 61 -6.228 -1.284 7.228 457 H GLU 62 H GLU 62 -8.713 -1.391 10.298 458 HA GLU 62 HA GLU 62 -10.774 -2.624 8.967 459 HB2 GLU 62 1HB GLU 62 -10.204 -3.503 11.085 460 HB3 GLU 62 2HB GLU 62 -10.254 -1.935 11.866 461 HG2 GLU 62 1HG GLU 62 -12.590 -1.928 12.036 462 HG3 GLU 62 2HG GLU 62 -12.808 -2.949 10.629 463 H LYS 63 H LYS 63 -10.924 0.312 11.119 464 HA LYS 63 HA LYS 63 -13.514 0.952 10.921 465 HB2 LYS 63 1HB LYS 63 -11.165 2.863 10.749 466 HB3 LYS 63 2HB LYS 63 -12.809 3.322 11.144 467 HG2 LYS 63 1HG LYS 63 -12.234 1.138 12.862 468 HG3 LYS 63 2HG LYS 63 -10.770 2.101 12.856 469 HD2 LYS 63 1HD LYS 63 -11.967 4.094 13.558 470 HD3 LYS 63 2HD LYS 63 -13.523 3.341 13.274 471 HE2 LYS 63 1HE LYS 63 -11.588 2.094 15.251 472 HE3 LYS 63 2HE LYS 63 -12.561 3.469 15.737 473 HZ1 LYS 63 1HZ LYS 63 -14.061 1.907 16.166 474 HZ2 LYS 63 2HZ LYS 63 -14.364 1.905 14.562 475 HZ3 LYS 63 3HZ LYS 63 -13.371 0.781 15.207 476 H SER 64 H SER 64 -11.069 2.314 8.596 477 HA SER 64 HA SER 64 -12.959 3.266 6.852 478 HB2 SER 64 1HB SER 64 -11.097 3.377 5.210 479 HB3 SER 64 2HB SER 64 -10.607 3.961 6.788 480 HG SER 64 HG SER 64 -9.958 1.457 5.520 481 H GLY 65 H GLY 65 -11.539 0.020 7.252 482 HA2 GLY 65 1HA GLY 65 -12.087 -1.970 6.362 483 HA3 GLY 65 2HA GLY 65 -13.602 -1.261 5.842 484 H LEU 66 H LEU 66 -10.206 -0.375 4.933 485 HA LEU 66 HA LEU 66 -10.997 -0.813 2.145 486 HB2 LEU 66 1HB LEU 66 -8.762 0.878 3.273 487 HB3 LEU 66 2HB LEU 66 -9.197 0.730 1.582 488 HG LEU 66 HG LEU 66 -10.765 2.056 3.798 489 HD11 LEU 66 1HD1 LEU 66 -10.442 3.525 1.318 490 HD12 LEU 66 2HD1 LEU 66 -9.993 3.973 2.981 491 HD13 LEU 66 3HD1 LEU 66 -8.872 3.015 1.984 492 HD21 LEU 66 1HD2 LEU 66 -12.498 2.526 2.027 493 HD22 LEU 66 2HD2 LEU 66 -11.718 1.268 1.038 494 HD23 LEU 66 3HD2 LEU 66 -12.430 0.847 2.614 495 H LEU 67 H LEU 67 -9.282 -2.185 4.752 496 HA LEU 67 HA LEU 67 -7.499 -3.592 2.891 497 HB2 LEU 67 1HB LEU 67 -7.260 -2.992 5.836 498 HB3 LEU 67 2HB LEU 67 -6.253 -4.171 5.020 499 HG LEU 67 HG LEU 67 -4.998 -2.166 5.175 500 HD11 LEU 67 1HD1 LEU 67 -6.035 -2.147 2.336 501 HD12 LEU 67 2HD1 LEU 67 -4.405 -1.741 2.924 502 HD13 LEU 67 3HD1 LEU 67 -4.977 -3.425 2.980 503 HD21 LEU 67 1HD2 LEU 67 -6.816 -0.423 3.626 504 HD22 LEU 67 2HD2 LEU 67 -7.350 -0.829 5.275 505 HD23 LEU 67 3HD2 LEU 67 -5.767 -0.056 5.017 506 H HIS 68 H HIS 68 -7.845 -5.727 2.514 507 HA HIS 68 HA HIS 68 -9.515 -7.143 4.445 508 HB2 HIS 68 1HB HIS 68 -9.893 -7.245 1.439 509 HB3 HIS 68 2HB HIS 68 -10.774 -8.190 2.623 510 HD1 HIS 68 1HD HIS 68 -11.516 -5.577 0.530 511 HD2 HIS 68 2HD HIS 68 -11.789 -5.933 4.701 512 HE1 HIS 68 1HE HIS 68 -13.216 -3.831 1.287 513 H GLU 69 H GLU 69 -8.762 -9.172 4.954 514 HA GLU 69 HA GLU 69 -6.230 -9.874 4.488 515 HB2 GLU 69 1HB GLU 69 -8.619 -11.734 4.859 516 HB3 GLU 69 2HB GLU 69 -6.949 -12.234 5.042 517 HG2 GLU 69 1HG GLU 69 -6.639 -10.496 6.831 518 HG3 GLU 69 2HG GLU 69 -8.322 -10.036 6.663 519 H GLY 70 H GLY 70 -5.029 -10.487 2.740 520 HA2 GLY 70 1HA GLY 70 -4.787 -12.068 0.934 521 HA3 GLY 70 2HA GLY 70 -6.456 -11.771 0.491 522 H ASP 71 H ASP 71 -5.598 -8.762 1.412 523 HA ASP 71 HA ASP 71 -5.308 -7.901 -1.245 524 HB2 ASP 71 1HB ASP 71 -5.693 -6.732 1.418 525 HB3 ASP 71 2HB ASP 71 -4.551 -5.783 0.487 526 H GLU 72 H GLU 72 -3.394 -7.230 -2.332 527 HA GLU 72 HA GLU 72 -0.945 -7.716 -0.839 528 HB2 GLU 72 1HB GLU 72 -1.152 -9.124 -2.806 529 HB3 GLU 72 2HB GLU 72 -1.554 -7.754 -3.823 530 HG2 GLU 72 1HG GLU 72 0.677 -6.833 -3.637 531 HG3 GLU 72 2HG GLU 72 1.095 -7.919 -2.327 532 H VAL 73 H VAL 73 0.460 -6.046 -0.406 533 HA VAL 73 HA VAL 73 -0.343 -3.419 -1.346 534 HB VAL 73 HB VAL 73 1.825 -4.198 0.609 535 HG11 VAL 73 1HG1 VAL 73 1.175 -1.830 1.477 536 HG12 VAL 73 2HG1 VAL 73 2.211 -1.973 0.037 537 HG13 VAL 73 3HG1 VAL 73 0.478 -1.611 -0.146 538 HG21 VAL 73 1HG2 VAL 73 0.282 -4.027 2.394 539 HG22 VAL 73 2HG2 VAL 73 -0.985 -3.348 1.344 540 HG23 VAL 73 3HG2 VAL 73 -0.513 -5.056 1.180 541 H LEU 74 H LEU 74 0.889 -2.105 -2.693 542 HA LEU 74 HA LEU 74 3.356 -3.330 -3.710 543 HB2 LEU 74 1HB LEU 74 1.308 -1.854 -5.366 544 HB3 LEU 74 2HB LEU 74 2.793 -2.589 -5.936 545 HG LEU 74 HG LEU 74 0.494 -4.136 -4.709 546 HD11 LEU 74 1HD1 LEU 74 0.979 -4.518 -7.567 547 HD12 LEU 74 2HD1 LEU 74 -0.542 -4.258 -6.680 548 HD13 LEU 74 3HD1 LEU 74 0.458 -2.866 -7.159 549 HD21 LEU 74 1HD2 LEU 74 2.934 -5.089 -6.234 550 HD22 LEU 74 2HD2 LEU 74 2.671 -5.236 -4.480 551 HD23 LEU 74 3HD2 LEU 74 1.612 -6.107 -5.615 552 H GLU 75 H GLU 75 1.395 -0.281 -3.497 553 HA GLU 75 HA GLU 75 3.856 1.044 -2.736 554 HB2 GLU 75 1HB GLU 75 2.657 1.338 -5.306 555 HB3 GLU 75 2HB GLU 75 2.291 2.813 -4.432 556 HG2 GLU 75 1HG GLU 75 4.707 3.087 -3.863 557 HG3 GLU 75 2HG GLU 75 5.082 1.598 -4.708 558 H ILE 76 H ILE 76 3.532 2.904 -1.369 559 HA ILE 76 HA ILE 76 0.759 3.474 -0.666 560 HB ILE 76 HB ILE 76 2.894 2.501 1.221 561 HG12 ILE 76 1HG1 ILE 76 0.061 1.591 0.640 562 HG13 ILE 76 2HG1 ILE 76 1.537 0.765 0.182 563 HG21 ILE 76 1HG2 ILE 76 1.048 4.603 1.710 564 HG22 ILE 76 2HG2 ILE 76 0.485 3.172 2.605 565 HG23 ILE 76 3HG2 ILE 76 2.136 3.787 2.858 566 HD11 ILE 76 1HD1 ILE 76 1.834 -0.119 2.265 567 HD12 ILE 76 2HD1 ILE 76 1.413 1.412 3.071 568 HD13 ILE 76 3HD1 ILE 76 0.126 0.312 2.522 569 H ASN 77 H ASN 77 0.514 5.614 -0.987 570 HA ASN 77 HA ASN 77 0.893 7.747 -1.005 571 HB2 ASN 77 1HB ASN 77 2.889 6.959 1.158 572 HB3 ASN 77 2HB ASN 77 2.767 8.628 0.640 573 HD21 ASN 77 1HD2 ASN 77 2.067 9.216 2.702 574 HD22 ASN 77 2HD2 ASN 77 0.446 8.949 3.250 575 H GLY 78 H GLY 78 2.557 5.709 -2.638 576 HA2 GLY 78 1HA GLY 78 3.851 6.331 -4.506 577 HA3 GLY 78 2HA GLY 78 4.579 7.628 -3.579 578 H ILE 79 H ILE 79 4.874 5.802 -1.139 579 HA ILE 79 HA ILE 79 7.472 4.871 -1.797 580 HB ILE 79 HB ILE 79 5.737 4.644 0.658 581 HG12 ILE 79 1HG1 ILE 79 7.783 6.173 1.415 582 HG13 ILE 79 2HG1 ILE 79 7.851 6.530 -0.299 583 HG21 ILE 79 1HG2 ILE 79 7.343 2.716 0.405 584 HG22 ILE 79 2HG2 ILE 79 8.664 3.906 0.483 585 HG23 ILE 79 3HG2 ILE 79 7.558 3.713 1.863 586 HD11 ILE 79 1HD1 ILE 79 6.149 7.743 1.550 587 HD12 ILE 79 2HD1 ILE 79 5.963 7.797 -0.219 588 HD13 ILE 79 3HD1 ILE 79 5.089 6.571 0.731 589 H GLU 80 H GLU 80 8.212 2.814 -2.246 590 HA GLU 80 HA GLU 80 6.259 1.015 -3.197 591 HB2 GLU 80 1HB GLU 80 9.026 1.459 -3.579 592 HB3 GLU 80 2HB GLU 80 8.926 -0.148 -2.886 593 HG2 GLU 80 1HG GLU 80 7.588 -0.979 -4.660 594 HG3 GLU 80 2HG GLU 80 7.044 0.618 -5.133 595 H ILE 81 H ILE 81 5.981 -1.258 -2.484 596 HA ILE 81 HA ILE 81 6.708 -1.639 0.331 597 HB ILE 81 HB ILE 81 4.013 -2.101 -0.948 598 HG12 ILE 81 1HG1 ILE 81 4.917 0.235 -0.009 599 HG13 ILE 81 2HG1 ILE 81 3.246 -0.271 0.142 600 HG21 ILE 81 1HG2 ILE 81 3.386 -2.800 1.426 601 HG22 ILE 81 2HG2 ILE 81 4.310 -3.966 0.449 602 HG23 ILE 81 3HG2 ILE 81 5.131 -3.008 1.704 603 HD11 ILE 81 1HD1 ILE 81 4.262 0.583 2.296 604 HD12 ILE 81 2HD1 ILE 81 3.607 -1.067 2.417 605 HD13 ILE 81 3HD1 ILE 81 5.363 -0.815 2.271 606 H ARG 82 H ARG 82 5.655 -3.094 -2.802 607 HA ARG 82 HA ARG 82 5.886 -5.678 -2.292 608 HB2 ARG 82 1HB ARG 82 5.333 -4.963 -4.525 609 HB3 ARG 82 2HB ARG 82 6.833 -4.075 -4.703 610 HG2 ARG 82 1HG ARG 82 7.936 -5.915 -5.459 611 HG3 ARG 82 2HG ARG 82 7.389 -6.883 -4.104 612 HD2 ARG 82 1HD ARG 82 6.369 -7.996 -5.904 613 HD3 ARG 82 2HD ARG 82 5.075 -6.934 -5.386 614 HE ARG 82 HE ARG 82 6.699 -5.560 -7.318 615 HH11 ARG 82 2HH2 ARG 82 4.343 -8.164 -7.094 616 HH12 ARG 82 1HH2 ARG 82 3.781 -7.968 -8.720 617 HH21 ARG 82 2HH1 ARG 82 5.958 -5.300 -9.464 618 HH22 ARG 82 1HH1 ARG 82 4.706 -6.328 -10.078 619 H GLY 83 H GLY 83 7.442 -6.936 -1.318 620 HA2 GLY 83 1HA GLY 83 9.596 -7.881 -1.339 621 HA3 GLY 83 2HA GLY 83 10.264 -6.370 -1.924 622 H LYS 84 H LYS 84 8.798 -4.605 -0.073 623 HA LYS 84 HA LYS 84 10.603 -4.466 1.985 624 HB2 LYS 84 1HB LYS 84 7.747 -3.459 1.832 625 HB3 LYS 84 2HB LYS 84 8.892 -2.990 3.073 626 HG2 LYS 84 1HG LYS 84 10.468 -2.406 1.015 627 HG3 LYS 84 2HG LYS 84 8.971 -2.389 0.104 628 HD2 LYS 84 1HD LYS 84 8.026 -0.651 1.528 629 HD3 LYS 84 2HD LYS 84 9.342 -0.793 2.677 630 HE2 LYS 84 1HE LYS 84 9.625 0.142 -0.220 631 HE3 LYS 84 2HE LYS 84 9.624 1.190 1.185 632 HZ1 LYS 84 1HZ LYS 84 11.493 -0.791 1.636 633 HZ2 LYS 84 2HZ LYS 84 11.749 -0.249 0.117 634 HZ3 LYS 84 3HZ LYS 84 11.765 0.798 1.370 635 H ASP 85 H ASP 85 10.031 -4.653 4.418 636 HA ASP 85 HA ASP 85 8.970 -7.329 4.747 637 HB2 ASP 85 1HB ASP 85 11.224 -6.936 5.641 638 HB3 ASP 85 2HB ASP 85 10.670 -5.536 6.538 639 H VAL 86 H VAL 86 7.616 -7.691 6.812 640 HA VAL 86 HA VAL 86 5.439 -5.995 6.886 641 HB VAL 86 HB VAL 86 4.766 -7.263 8.835 642 HG11 VAL 86 1HG1 VAL 86 5.881 -9.584 7.591 643 HG12 VAL 86 2HG1 VAL 86 4.245 -8.903 7.418 644 HG13 VAL 86 3HG1 VAL 86 5.548 -8.378 6.324 645 HG21 VAL 86 1HG2 VAL 86 7.643 -8.230 8.890 646 HG22 VAL 86 2HG2 VAL 86 6.788 -7.294 10.140 647 HG23 VAL 86 3HG2 VAL 86 6.315 -8.978 9.810 648 H ASN 87 H ASN 87 8.255 -6.240 9.162 649 HA ASN 87 HA ASN 87 7.421 -4.305 10.895 650 HB2 ASN 87 1HB ASN 87 9.766 -5.849 10.451 651 HB3 ASN 87 2HB ASN 87 10.326 -4.189 10.424 652 HD21 ASN 87 1HD2 ASN 87 8.598 -6.626 12.269 653 HD22 ASN 87 2HD2 ASN 87 8.809 -5.933 13.842 654 H GLU 88 H GLU 88 9.438 -4.094 7.882 655 HA GLU 88 HA GLU 88 10.072 -1.440 8.029 656 HB2 GLU 88 1HB GLU 88 10.146 -3.560 6.052 657 HB3 GLU 88 2HB GLU 88 9.634 -2.074 5.275 658 HG2 GLU 88 1HG GLU 88 11.698 -1.163 6.888 659 HG3 GLU 88 2HG GLU 88 12.264 -2.771 6.482 660 H VAL 89 H VAL 89 7.203 -3.024 6.474 661 HA VAL 89 HA VAL 89 6.063 -0.669 5.511 662 HB VAL 89 HB VAL 89 5.101 -3.429 6.163 663 HG11 VAL 89 1HG1 VAL 89 2.864 -2.850 5.268 664 HG12 VAL 89 2HG1 VAL 89 3.220 -2.023 6.804 665 HG13 VAL 89 3HG1 VAL 89 3.328 -1.132 5.267 666 HG21 VAL 89 1HG2 VAL 89 5.588 -3.787 4.018 667 HG22 VAL 89 2HG2 VAL 89 4.494 -2.474 3.518 668 HG23 VAL 89 3HG2 VAL 89 6.196 -2.118 3.899 669 H PHE 90 H PHE 90 5.366 -2.551 8.543 670 HA PHE 90 HA PHE 90 3.483 -0.869 9.585 671 HB2 PHE 90 1HB PHE 90 5.785 -2.418 10.919 672 HB3 PHE 90 2HB PHE 90 4.383 -1.834 11.792 673 HD1 PHE 90 1HD PHE 90 2.319 -2.493 9.632 674 HD2 PHE 90 2HD PHE 90 5.507 -4.735 11.311 675 HE1 PHE 90 1HE PHE 90 1.101 -4.622 9.102 676 HE2 PHE 90 2HE PHE 90 4.288 -6.865 10.780 677 HZ PHE 90 HZ PHE 90 2.100 -6.783 9.682 678 H ASP 91 H ASP 91 7.086 -0.693 9.911 679 HA ASP 91 HA ASP 91 7.085 1.433 11.672 680 HB2 ASP 91 1HB ASP 91 8.993 -0.180 10.649 681 HB3 ASP 91 2HB ASP 91 9.244 1.187 9.581 682 H LEU 92 H LEU 92 6.815 1.167 8.115 683 HA LEU 92 HA LEU 92 7.397 3.847 7.504 684 HB2 LEU 92 1HB LEU 92 6.289 1.478 6.143 685 HB3 LEU 92 2HB LEU 92 5.770 3.019 5.490 686 HG LEU 92 HG LEU 92 8.672 2.842 5.975 687 HD11 LEU 92 1HD1 LEU 92 7.831 1.340 3.553 688 HD12 LEU 92 2HD1 LEU 92 9.273 1.160 4.581 689 HD13 LEU 92 3HD1 LEU 92 7.712 0.493 5.114 690 HD21 LEU 92 1HD2 LEU 92 7.929 4.742 4.827 691 HD22 LEU 92 2HD2 LEU 92 8.624 3.701 3.561 692 HD23 LEU 92 3HD2 LEU 92 6.858 3.798 3.764 693 H LEU 93 H LEU 93 4.167 2.173 7.466 694 HA LEU 93 HA LEU 93 2.606 4.368 7.263 695 HB2 LEU 93 1HB LEU 93 2.211 1.767 8.721 696 HB3 LEU 93 2HB LEU 93 0.949 2.982 8.659 697 HG LEU 93 HG LEU 93 0.835 1.101 6.954 698 HD11 LEU 93 1HD1 LEU 93 -0.219 2.448 5.365 699 HD12 LEU 93 2HD1 LEU 93 -0.319 3.397 6.867 700 HD13 LEU 93 3HD1 LEU 93 0.896 3.809 5.633 701 HD21 LEU 93 1HD2 LEU 93 2.189 1.412 4.895 702 HD22 LEU 93 2HD2 LEU 93 3.154 2.637 5.753 703 HD23 LEU 93 3HD2 LEU 93 3.152 0.949 6.318 704 H SER 94 H SER 94 3.573 2.842 10.422 705 HA SER 94 HA SER 94 2.503 4.525 12.133 706 HB2 SER 94 1HB SER 94 4.650 2.692 12.173 707 HB3 SER 94 2HB SER 94 5.322 4.160 12.854 708 HG SER 94 HG SER 94 3.615 4.200 14.417 709 H ASP 95 H ASP 95 5.707 5.103 10.505 710 HA ASP 95 HA ASP 95 6.185 7.550 11.625 711 HB2 ASP 95 1HB ASP 95 7.832 6.256 10.293 712 HB3 ASP 95 2HB ASP 95 6.889 6.514 8.839 713 H MET 96 H MET 96 4.421 6.592 8.607 714 HA MET 96 HA MET 96 3.902 9.276 7.872 715 HB2 MET 96 1HB MET 96 2.494 6.706 6.964 716 HB3 MET 96 2HB MET 96 2.550 8.220 6.083 717 HG2 MET 96 1HG MET 96 5.235 7.782 6.394 718 HG3 MET 96 2HG MET 96 4.671 6.123 6.395 719 HE1 MET 96 1HE MET 96 3.394 5.023 3.812 720 HE2 MET 96 2HE MET 96 2.390 5.863 5.018 721 HE3 MET 96 3HE MET 96 2.269 6.303 3.298 722 H HIS 97 H HIS 97 1.598 10.111 7.540 723 HA HIS 97 HA HIS 97 -0.438 8.955 9.149 724 HB2 HIS 97 1HB HIS 97 -0.558 11.278 10.459 725 HB3 HIS 97 2HB HIS 97 0.292 9.876 11.078 726 HD1 HIS 97 1HD HIS 97 1.435 12.497 8.511 727 HD2 HIS 97 2HD HIS 97 2.556 10.885 12.218 728 HE1 HIS 97 1HE HIS 97 3.661 13.585 9.120 729 H GLY 98 H GLY 98 -2.507 10.138 8.896 730 HA2 GLY 98 1HA GLY 98 -3.803 11.807 7.902 731 HA3 GLY 98 2HA GLY 98 -2.477 12.226 6.836 732 H THR 99 H THR 99 -4.199 12.097 5.121 733 HA THR 99 HA THR 99 -5.359 9.569 4.519 734 HB THR 99 HB THR 99 -5.000 11.890 2.584 735 HG1 THR 99 1HG THR 99 -6.670 11.549 4.973 736 HG21 THR 99 1HG2 THR 99 -6.516 9.566 2.451 737 HG22 THR 99 2HG2 THR 99 -7.664 10.705 3.196 738 HG23 THR 99 3HG2 THR 99 -6.933 11.083 1.617 739 H LEU 100 H LEU 100 -3.931 7.901 4.265 740 HA LEU 100 HA LEU 100 -1.707 8.338 2.434 741 HB2 LEU 100 1HB LEU 100 -2.192 5.772 3.878 742 HB3 LEU 100 2HB LEU 100 -0.684 6.518 3.392 743 HG LEU 100 HG LEU 100 -1.849 8.288 5.264 744 HD11 LEU 100 1HD1 LEU 100 -2.247 5.398 5.985 745 HD12 LEU 100 2HD1 LEU 100 -1.888 6.605 7.244 746 HD13 LEU 100 3HD1 LEU 100 -3.332 6.789 6.219 747 HD21 LEU 100 1HD2 LEU 100 0.572 6.666 4.938 748 HD22 LEU 100 2HD2 LEU 100 0.371 8.337 5.517 749 HD23 LEU 100 3HD2 LEU 100 0.134 6.972 6.636 750 H THR 101 H THR 101 -1.559 7.398 0.418 751 HA THR 101 HA THR 101 -4.025 6.176 -0.547 752 HB THR 101 HB THR 101 -1.605 7.563 -1.741 753 HG1 THR 101 1HG THR 101 -3.340 8.952 -1.634 754 HG21 THR 101 1HG2 THR 101 -1.681 6.155 -3.559 755 HG22 THR 101 2HG2 THR 101 -3.174 5.372 -2.987 756 HG23 THR 101 3HG2 THR 101 -3.261 6.903 -3.892 757 H PHE 102 H PHE 102 -4.210 4.050 -0.133 758 HA PHE 102 HA PHE 102 -1.808 2.425 -0.279 759 HB2 PHE 102 1HB PHE 102 -4.745 2.010 0.522 760 HB3 PHE 102 2HB PHE 102 -3.598 0.686 0.509 761 HD1 PHE 102 1HD PHE 102 -4.358 3.943 2.088 762 HD2 PHE 102 2HD PHE 102 -2.091 0.362 2.305 763 HE1 PHE 102 1HE PHE 102 -3.655 4.529 4.425 764 HE2 PHE 102 2HE PHE 102 -1.388 0.948 4.642 765 HZ PHE 102 HZ PHE 102 -2.178 3.025 5.674 766 H VAL 103 H VAL 103 -1.236 1.418 -2.142 767 HA VAL 103 HA VAL 103 -3.372 0.952 -4.100 768 HB VAL 103 HB VAL 103 -0.412 0.962 -4.647 769 HG11 VAL 103 1HG1 VAL 103 -2.910 0.869 -6.229 770 HG12 VAL 103 2HG1 VAL 103 -1.663 1.979 -6.847 771 HG13 VAL 103 3HG1 VAL 103 -1.283 0.256 -6.609 772 HG21 VAL 103 1HG2 VAL 103 -2.143 3.254 -3.978 773 HG22 VAL 103 2HG2 VAL 103 -0.369 3.118 -3.994 774 HG23 VAL 103 3HG2 VAL 103 -1.251 3.425 -5.509 775 H LEU 104 H LEU 104 -4.177 -1.046 -3.431 776 HA LEU 104 HA LEU 104 -2.255 -3.235 -3.696 777 HB2 LEU 104 1HB LEU 104 -3.754 -4.298 -1.807 778 HB3 LEU 104 2HB LEU 104 -2.319 -3.358 -1.454 779 HG LEU 104 HG LEU 104 -4.155 -1.376 -1.419 780 HD11 LEU 104 1HD1 LEU 104 -6.254 -1.978 -0.689 781 HD12 LEU 104 2HD1 LEU 104 -5.897 -3.280 -1.849 782 HD13 LEU 104 3HD1 LEU 104 -5.717 -3.571 -0.102 783 HD21 LEU 104 1HD2 LEU 104 -3.943 -1.370 0.926 784 HD22 LEU 104 2HD2 LEU 104 -3.735 -3.136 0.998 785 HD23 LEU 104 3HD2 LEU 104 -2.446 -2.115 0.317 786 H ILE 105 H ILE 105 -3.309 -5.314 -4.267 787 HA ILE 105 HA ILE 105 -5.711 -4.760 -5.848 788 HB ILE 105 HB ILE 105 -3.759 -7.050 -6.087 789 HG12 ILE 105 1HG1 ILE 105 -3.843 -4.727 -7.990 790 HG13 ILE 105 2HG1 ILE 105 -2.932 -4.587 -6.500 791 HG21 ILE 105 1HG2 ILE 105 -5.686 -6.071 -8.187 792 HG22 ILE 105 2HG2 ILE 105 -4.837 -7.632 -8.074 793 HG23 ILE 105 3HG2 ILE 105 -6.171 -7.261 -6.955 794 HD11 ILE 105 1HD1 ILE 105 -1.441 -6.324 -7.080 795 HD12 ILE 105 2HD1 ILE 105 -2.576 -7.033 -8.254 796 HD13 ILE 105 3HD1 ILE 105 -1.728 -5.516 -8.639 797 HA PRO 106 HA PRO 106 -7.886 -7.171 -2.966 798 HB2 PRO 106 1HB PRO 106 -10.325 -7.141 -4.198 799 HB3 PRO 106 2HB PRO 106 -9.758 -5.845 -3.165 800 HG2 PRO 106 1HG PRO 106 -9.956 -5.912 -6.113 801 HG3 PRO 106 2HG PRO 106 -9.805 -4.523 -5.055 802 HD2 PRO 106 1HD PRO 106 -7.732 -5.694 -6.654 803 HD3 PRO 106 2HD PRO 106 -7.556 -4.380 -5.509 804 H SER 107 H SER 107 -7.530 -9.261 -2.618 805 HA SER 107 HA SER 107 -7.440 -10.916 -4.935 806 HB2 SER 107 1HB SER 107 -5.831 -11.160 -3.040 807 HB3 SER 107 2HB SER 107 -7.149 -11.613 -1.978 808 HG SER 107 HG SER 107 -6.401 -13.050 -4.382 809 H SER 108 H SER 108 -9.702 -10.756 -5.641 810 HA SER 108 HA SER 108 -11.690 -11.713 -3.822 811 HB2 SER 108 1HB SER 108 -11.673 -10.045 -6.088 812 HB3 SER 108 2HB SER 108 -12.504 -11.486 -6.639 813 HG SER 108 HG SER 108 -14.220 -10.866 -5.536 814 H GLY 109 H GLY 109 -9.836 -13.716 -4.016 815 HA2 GLY 109 1HA GLY 109 -11.050 -15.653 -5.897 816 HA3 GLY 109 2HA GLY 109 -9.355 -15.635 -5.456 817 HA PRO 110 HA PRO 110 -11.832 -17.131 -1.682 818 HB2 PRO 110 1HB PRO 110 -14.485 -17.712 -1.986 819 HB3 PRO 110 2HB PRO 110 -13.905 -16.188 -1.344 820 HG2 PRO 110 1HG PRO 110 -15.024 -16.767 -4.018 821 HG3 PRO 110 2HG PRO 110 -14.840 -15.219 -3.217 822 HD2 PRO 110 1HD PRO 110 -13.194 -16.270 -5.318 823 HD3 PRO 110 2HD PRO 110 -12.943 -14.776 -4.437 824 H SER 111 H SER 111 -10.929 -19.043 -1.295 825 HA SER 111 HA SER 111 -11.411 -21.042 -3.306 826 HB2 SER 111 1HB SER 111 -9.337 -20.462 -1.318 827 HB3 SER 111 2HB SER 111 -9.814 -22.147 -1.251 828 HG SER 111 HG SER 111 -8.061 -21.319 -2.876 829 H SER 112 H SER 112 -11.671 -20.670 0.304 830 HA SER 112 HA SER 112 -12.994 -23.118 0.615 831 HB2 SER 112 1HB SER 112 -12.720 -20.663 2.394 832 HB3 SER 112 2HB SER 112 -13.579 -22.099 2.914 833 HG SER 112 HG SER 112 -11.645 -22.779 3.538 834 H GLY 113 H GLY 113 -15.186 -23.627 0.539 835 HA2 GLY 113 1HA GLY 113 -17.106 -21.401 0.391 836 HA3 GLY 113 2HA GLY 113 -17.057 -22.591 -0.895 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 3.939 40.070 -20.034 2 HA2 GLY 1 1HA GLY 1 1.412 39.226 -21.136 3 HA3 GLY 1 2HA GLY 1 2.517 39.874 -22.332 4 H SER 2 H SER 2 2.195 37.467 -23.046 5 HA SER 2 HA SER 2 3.842 35.681 -21.495 6 HB2 SER 2 1HB SER 2 3.078 34.008 -23.295 7 HB3 SER 2 2HB SER 2 1.835 34.649 -22.239 8 HG SER 2 HG SER 2 2.386 35.320 -24.982 9 H SER 3 H SER 3 5.553 34.354 -22.648 10 HA SER 3 HA SER 3 6.483 35.256 -25.142 11 HB2 SER 3 1HB SER 3 8.695 36.139 -24.332 12 HB3 SER 3 2HB SER 3 7.338 37.167 -23.919 13 HG SER 3 HG SER 3 8.546 36.989 -22.040 14 H GLY 4 H GLY 4 8.044 33.774 -26.000 15 HA2 GLY 4 1HA GLY 4 9.516 31.964 -24.403 16 HA3 GLY 4 2HA GLY 4 8.042 31.194 -24.954 17 H SER 5 H SER 5 10.863 30.598 -25.709 18 HA SER 5 HA SER 5 10.681 31.276 -28.540 19 HB2 SER 5 1HB SER 5 12.719 32.192 -27.721 20 HB3 SER 5 2HB SER 5 13.051 30.800 -26.711 21 HG SER 5 HG SER 5 13.067 30.812 -29.610 22 H SER 6 H SER 6 9.901 29.572 -29.726 23 HA SER 6 HA SER 6 9.569 27.562 -30.470 24 HB2 SER 6 1HB SER 6 12.206 27.071 -29.052 25 HB3 SER 6 2HB SER 6 11.367 25.754 -29.847 26 HG SER 6 HG SER 6 11.545 28.043 -31.443 27 H GLY 7 H GLY 7 11.164 26.260 -27.520 28 HA2 GLY 7 1HA GLY 7 9.664 26.001 -25.518 29 HA3 GLY 7 2HA GLY 7 8.521 25.277 -26.631 30 HA PRO 8 HA PRO 8 11.633 22.158 -25.124 31 HB2 PRO 8 1HB PRO 8 10.354 21.041 -22.982 32 HB3 PRO 8 2HB PRO 8 11.595 22.269 -22.824 33 HG2 PRO 8 1HG PRO 8 8.669 22.540 -22.508 34 HG3 PRO 8 2HG PRO 8 9.937 23.614 -21.952 35 HD2 PRO 8 1HD PRO 8 8.229 24.007 -24.222 36 HD3 PRO 8 2HD PRO 8 9.573 25.020 -23.733 37 H ILE 9 H ILE 9 10.872 19.639 -24.340 38 HA ILE 9 HA ILE 9 9.163 18.986 -26.626 39 HB ILE 9 HB ILE 9 11.174 17.337 -25.093 40 HG12 ILE 9 1HG1 ILE 9 11.375 18.060 -28.001 41 HG13 ILE 9 2HG1 ILE 9 11.854 19.232 -26.789 42 HG21 ILE 9 1HG2 ILE 9 8.990 16.563 -26.882 43 HG22 ILE 9 2HG2 ILE 9 10.583 15.968 -27.409 44 HG23 ILE 9 3HG2 ILE 9 9.982 15.579 -25.779 45 HD11 ILE 9 1HD1 ILE 9 13.371 17.026 -27.755 46 HD12 ILE 9 2HD1 ILE 9 13.805 18.141 -26.437 47 HD13 ILE 9 3HD1 ILE 9 12.936 16.631 -26.074 48 H THR 10 H THR 10 7.363 17.582 -26.382 49 HA THR 10 HA THR 10 5.878 17.945 -24.066 50 HB THR 10 HB THR 10 4.459 16.110 -25.136 51 HG1 THR 10 1HG THR 10 5.496 14.942 -26.737 52 HG21 THR 10 1HG2 THR 10 4.924 17.403 -27.616 53 HG22 THR 10 2HG2 THR 10 3.705 17.861 -26.403 54 HG23 THR 10 3HG2 THR 10 5.310 18.630 -26.386 55 H ASP 11 H ASP 11 4.968 16.145 -22.657 56 HA ASP 11 HA ASP 11 6.874 14.054 -22.175 57 HB2 ASP 11 1HB ASP 11 6.725 14.719 -19.626 58 HB3 ASP 11 2HB ASP 11 7.896 15.514 -20.659 59 H GLU 12 H GLU 12 5.614 12.224 -21.783 60 HA GLU 12 HA GLU 12 2.928 12.722 -20.761 61 HB2 GLU 12 1HB GLU 12 2.256 10.641 -21.912 62 HB3 GLU 12 2HB GLU 12 2.959 11.782 -23.042 63 HG2 GLU 12 1HG GLU 12 5.166 10.291 -22.085 64 HG3 GLU 12 2HG GLU 12 3.894 9.103 -22.287 65 H ARG 13 H ARG 13 4.468 12.770 -18.678 66 HA ARG 13 HA ARG 13 4.071 10.196 -17.492 67 HB2 ARG 13 1HB ARG 13 6.522 10.509 -16.457 68 HB3 ARG 13 2HB ARG 13 6.297 9.688 -17.989 69 HG2 ARG 13 1HG ARG 13 6.567 12.059 -19.073 70 HG3 ARG 13 2HG ARG 13 7.202 12.552 -17.515 71 HD2 ARG 13 1HD ARG 13 8.320 10.061 -18.827 72 HD3 ARG 13 2HD ARG 13 8.838 11.631 -19.409 73 HE ARG 13 HE ARG 13 9.693 10.384 -16.976 74 HH11 ARG 13 2HH2 ARG 13 8.732 13.539 -18.203 75 HH12 ARG 13 1HH2 ARG 13 9.677 14.418 -17.048 76 HH21 ARG 13 2HH1 ARG 13 10.940 11.543 -15.452 77 HH22 ARG 13 1HH1 ARG 13 10.941 13.275 -15.473 78 H VAL 14 H VAL 14 3.065 13.063 -17.349 79 HA VAL 14 HA VAL 14 4.035 13.913 -14.744 80 HB VAL 14 HB VAL 14 1.902 15.234 -16.403 81 HG11 VAL 14 1HG1 VAL 14 2.031 16.810 -14.834 82 HG12 VAL 14 2HG1 VAL 14 3.234 15.834 -13.957 83 HG13 VAL 14 3HG1 VAL 14 3.766 17.025 -15.169 84 HG21 VAL 14 1HG2 VAL 14 3.593 14.965 -18.027 85 HG22 VAL 14 2HG2 VAL 14 3.838 16.604 -17.377 86 HG23 VAL 14 3HG2 VAL 14 4.893 15.271 -16.850 87 H TYR 15 H TYR 15 2.360 11.382 -15.362 88 HA TYR 15 HA TYR 15 0.020 12.066 -13.727 89 HB2 TYR 15 1HB TYR 15 -0.620 9.691 -14.654 90 HB3 TYR 15 2HB TYR 15 -0.561 10.989 -15.830 91 HD1 TYR 15 2HD TYR 15 1.982 8.692 -14.274 92 HD2 TYR 15 1HD TYR 15 0.324 10.330 -17.862 93 HE1 TYR 15 2HE TYR 15 3.652 7.367 -15.660 94 HE2 TYR 15 1HE TYR 15 1.999 9.000 -19.235 95 HH TYR 15 HH TYR 15 4.478 8.038 -18.609 96 H GLU 16 H GLU 16 -0.714 10.128 -12.283 97 HA GLU 16 HA GLU 16 1.696 9.109 -10.990 98 HB2 GLU 16 1HB GLU 16 0.012 10.845 -9.833 99 HB3 GLU 16 2HB GLU 16 -0.903 9.390 -9.491 100 HG2 GLU 16 1HG GLU 16 0.454 9.097 -7.692 101 HG3 GLU 16 2HG GLU 16 1.710 8.640 -8.826 102 H SER 17 H SER 17 -0.236 7.528 -9.164 103 HA SER 17 HA SER 17 -0.034 5.132 -10.427 104 HB2 SER 17 1HB SER 17 -1.971 4.478 -8.782 105 HB3 SER 17 2HB SER 17 -0.434 5.004 -8.125 106 HG SER 17 HG SER 17 -2.074 6.135 -7.034 107 H ILE 18 H ILE 18 -0.951 4.469 -12.334 108 HA ILE 18 HA ILE 18 -3.633 5.494 -12.939 109 HB ILE 18 HB ILE 18 -1.391 4.566 -14.732 110 HG12 ILE 18 1HG1 ILE 18 -2.469 7.172 -15.314 111 HG13 ILE 18 2HG1 ILE 18 -2.037 7.095 -13.617 112 HG21 ILE 18 1HG2 ILE 18 -4.040 5.616 -15.709 113 HG22 ILE 18 2HG2 ILE 18 -2.771 4.744 -16.603 114 HG23 ILE 18 3HG2 ILE 18 -3.778 3.880 -15.417 115 HD11 ILE 18 1HD1 ILE 18 -0.233 6.438 -15.988 116 HD12 ILE 18 2HD1 ILE 18 -0.074 7.808 -14.863 117 HD13 ILE 18 3HD1 ILE 18 0.219 6.149 -14.291 118 H GLY 19 H GLY 19 -5.295 4.057 -13.504 119 HA2 GLY 19 1HA GLY 19 -5.170 1.496 -12.319 120 HA3 GLY 19 2HA GLY 19 -6.453 2.136 -13.326 121 H HIS 20 H HIS 20 -3.068 0.843 -13.551 122 HA HIS 20 HA HIS 20 -3.606 -1.189 -15.249 123 HB2 HIS 20 1HB HIS 20 -3.923 1.277 -16.640 124 HB3 HIS 20 2HB HIS 20 -2.458 0.527 -17.243 125 HD1 HIS 20 1HD HIS 20 -3.192 -0.436 -19.449 126 HD2 HIS 20 2HD HIS 20 -5.828 -1.392 -16.330 127 HE1 HIS 20 1HE HIS 20 -4.894 -2.067 -20.426 128 H TYR 21 H TYR 21 -1.992 -1.300 -13.262 129 HA TYR 21 HA TYR 21 0.642 -0.336 -13.773 130 HB2 TYR 21 1HB TYR 21 -0.837 -2.206 -11.862 131 HB3 TYR 21 2HB TYR 21 0.915 -2.204 -11.829 132 HD1 TYR 21 2HD TYR 21 -1.145 0.815 -12.472 133 HD2 TYR 21 1HD TYR 21 1.187 -1.347 -9.610 134 HE1 TYR 21 2HE TYR 21 -1.173 2.827 -10.918 135 HE2 TYR 21 1HE TYR 21 1.151 0.672 -8.066 136 HH TYR 21 HH TYR 21 0.834 2.960 -8.106 137 H GLY 22 H GLY 22 0.200 -1.502 -16.123 138 HA2 GLY 22 1HA GLY 22 1.556 -2.878 -17.411 139 HA3 GLY 22 2HA GLY 22 1.911 -3.873 -16.013 140 H GLY 23 H GLY 23 -1.171 -2.752 -17.599 141 HA2 GLY 23 1HA GLY 23 -2.743 -4.009 -18.681 142 HA3 GLY 23 2HA GLY 23 -1.836 -5.470 -18.346 143 H GLU 24 H GLU 24 -1.542 -5.426 -15.558 144 HA GLU 24 HA GLU 24 -3.930 -6.470 -14.743 145 HB2 GLU 24 1HB GLU 24 -1.339 -6.086 -13.661 146 HB3 GLU 24 2HB GLU 24 -2.429 -5.361 -12.495 147 HG2 GLU 24 1HG GLU 24 -2.371 -8.228 -13.490 148 HG3 GLU 24 2HG GLU 24 -2.294 -7.649 -11.838 149 H THR 25 H THR 25 -4.570 -5.341 -12.215 150 HA THR 25 HA THR 25 -5.263 -2.561 -12.748 151 HB THR 25 HB THR 25 -7.685 -3.438 -11.895 152 HG1 THR 25 1HG THR 25 -7.128 -5.665 -11.849 153 HG21 THR 25 1HG2 THR 25 -8.448 -3.141 -14.079 154 HG22 THR 25 2HG2 THR 25 -6.825 -2.436 -14.274 155 HG23 THR 25 3HG2 THR 25 -7.131 -4.116 -14.775 156 H VAL 26 H VAL 26 -4.905 -1.344 -11.001 157 HA VAL 26 HA VAL 26 -4.780 -2.775 -8.437 158 HB VAL 26 HB VAL 26 -3.278 -0.833 -7.801 159 HG11 VAL 26 1HG1 VAL 26 -1.925 -2.621 -7.990 160 HG12 VAL 26 2HG1 VAL 26 -2.686 -3.160 -9.506 161 HG13 VAL 26 3HG1 VAL 26 -1.434 -1.895 -9.539 162 HG21 VAL 26 1HG2 VAL 26 -2.673 0.762 -9.264 163 HG22 VAL 26 2HG2 VAL 26 -2.465 -0.404 -10.593 164 HG23 VAL 26 3HG2 VAL 26 -4.083 0.232 -10.213 165 H LYS 27 H LYS 27 -5.964 -1.994 -6.699 166 HA LYS 27 HA LYS 27 -7.814 0.170 -7.389 167 HB2 LYS 27 1HB LYS 27 -8.558 -2.241 -6.719 168 HB3 LYS 27 2HB LYS 27 -8.171 -1.736 -5.086 169 HG2 LYS 27 1HG LYS 27 -9.625 0.442 -6.026 170 HG3 LYS 27 2HG LYS 27 -10.415 -0.895 -6.840 171 HD2 LYS 27 1HD LYS 27 -11.012 -1.959 -4.794 172 HD3 LYS 27 2HD LYS 27 -9.811 -1.077 -3.871 173 HE2 LYS 27 1HE LYS 27 -11.189 0.732 -3.564 174 HE3 LYS 27 2HE LYS 27 -11.773 0.694 -5.216 175 HZ1 LYS 27 1HZ LYS 27 -13.610 -0.105 -4.307 176 HZ2 LYS 27 2HZ LYS 27 -12.827 -1.529 -4.146 177 HZ3 LYS 27 3HZ LYS 27 -12.897 -0.489 -2.889 178 H ILE 28 H ILE 28 -7.198 2.136 -6.676 179 HA ILE 28 HA ILE 28 -5.364 2.314 -4.464 180 HB ILE 28 HB ILE 28 -6.634 4.352 -6.290 181 HG12 ILE 28 1HG1 ILE 28 -4.020 4.535 -6.788 182 HG13 ILE 28 2HG1 ILE 28 -4.036 2.873 -6.231 183 HG21 ILE 28 1HG2 ILE 28 -5.330 4.723 -3.716 184 HG22 ILE 28 2HG2 ILE 28 -4.466 5.556 -5.031 185 HG23 ILE 28 3HG2 ILE 28 -6.191 5.891 -4.746 186 HD11 ILE 28 1HD1 ILE 28 -4.722 3.783 -8.806 187 HD12 ILE 28 2HD1 ILE 28 -5.000 2.150 -8.153 188 HD13 ILE 28 3HD1 ILE 28 -6.281 3.382 -8.045 189 H VAL 29 H VAL 29 -5.848 2.791 -2.366 190 HA VAL 29 HA VAL 29 -8.566 3.733 -1.821 191 HB VAL 29 HB VAL 29 -8.118 2.101 0.287 192 HG11 VAL 29 1HG1 VAL 29 -9.927 0.904 -0.478 193 HG12 VAL 29 2HG1 VAL 29 -10.046 2.347 -1.512 194 HG13 VAL 29 3HG1 VAL 29 -9.327 0.850 -2.153 195 HG21 VAL 29 1HG2 VAL 29 -7.256 -0.039 -0.466 196 HG22 VAL 29 2HG2 VAL 29 -6.983 0.608 -2.102 197 HG23 VAL 29 3HG2 VAL 29 -6.028 1.221 -0.731 198 H ARG 30 H ARG 30 -8.496 5.568 -0.636 199 HA ARG 30 HA ARG 30 -5.984 6.140 0.673 200 HB2 ARG 30 1HB ARG 30 -8.342 7.824 -0.242 201 HB3 ARG 30 2HB ARG 30 -7.222 8.474 0.938 202 HG2 ARG 30 1HG ARG 30 -5.342 8.247 -0.585 203 HG3 ARG 30 2HG ARG 30 -6.284 7.287 -1.709 204 HD2 ARG 30 1HD ARG 30 -7.339 10.027 -1.038 205 HD3 ARG 30 2HD ARG 30 -5.905 9.950 -2.043 206 HE ARG 30 HE ARG 30 -7.601 8.097 -3.218 207 HH11 ARG 30 2HH2 ARG 30 -7.915 11.492 -2.347 208 HH12 ARG 30 1HH2 ARG 30 -9.041 11.845 -3.614 209 HH21 ARG 30 2HH1 ARG 30 -9.086 8.563 -4.891 210 HH22 ARG 30 1HH1 ARG 30 -9.712 10.168 -5.072 211 H ILE 31 H ILE 31 -5.802 6.007 2.897 212 HA ILE 31 HA ILE 31 -8.321 5.899 4.405 213 HB ILE 31 HB ILE 31 -5.814 4.301 4.541 214 HG12 ILE 31 1HG1 ILE 31 -8.780 3.786 4.689 215 HG13 ILE 31 2HG1 ILE 31 -7.615 3.186 3.524 216 HG21 ILE 31 1HG2 ILE 31 -6.278 3.654 6.868 217 HG22 ILE 31 2HG2 ILE 31 -5.827 5.369 6.723 218 HG23 ILE 31 3HG2 ILE 31 -7.531 4.915 6.961 219 HD11 ILE 31 1HD1 ILE 31 -7.945 2.358 6.432 220 HD12 ILE 31 2HD1 ILE 31 -8.047 1.339 4.976 221 HD13 ILE 31 3HD1 ILE 31 -6.472 1.976 5.508 222 H GLU 32 H GLU 32 -8.610 7.341 6.060 223 HA GLU 32 HA GLU 32 -6.564 9.346 6.285 224 HB2 GLU 32 1HB GLU 32 -9.395 9.153 7.400 225 HB3 GLU 32 2HB GLU 32 -8.333 10.514 7.699 226 HG2 GLU 32 1HG GLU 32 -8.104 10.386 4.986 227 HG3 GLU 32 2HG GLU 32 -9.706 9.697 5.159 228 H LYS 33 H LYS 33 -4.923 9.018 7.723 229 HA LYS 33 HA LYS 33 -5.640 7.699 10.250 230 HB2 LYS 33 1HB LYS 33 -3.466 7.235 8.335 231 HB3 LYS 33 2HB LYS 33 -2.895 7.450 9.977 232 HG2 LYS 33 1HG LYS 33 -4.403 5.690 10.796 233 HG3 LYS 33 2HG LYS 33 -5.167 5.554 9.225 234 HD2 LYS 33 1HD LYS 33 -3.655 3.787 9.088 235 HD3 LYS 33 2HD LYS 33 -2.688 5.066 8.381 236 HE2 LYS 33 1HE LYS 33 -1.739 5.521 10.716 237 HE3 LYS 33 2HE LYS 33 -2.575 4.083 11.270 238 HZ1 LYS 33 1HZ LYS 33 -0.639 3.166 10.658 239 HZ2 LYS 33 2HZ LYS 33 -1.337 3.105 9.182 240 HZ3 LYS 33 3HZ LYS 33 -0.282 4.299 9.538 241 H ALA 34 H ALA 34 -4.535 8.493 12.189 242 HA ALA 34 HA ALA 34 -3.983 11.357 11.920 243 HB1 ALA 34 1HB ALA 34 -4.810 11.596 14.095 244 HB2 ALA 34 2HB ALA 34 -5.835 10.294 13.445 245 HB3 ALA 34 3HB ALA 34 -4.472 9.900 14.519 246 H ARG 35 H ARG 35 -2.352 12.134 13.737 247 HA ARG 35 HA ARG 35 0.021 10.643 13.204 248 HB2 ARG 35 1HB ARG 35 -0.166 13.098 14.996 249 HB3 ARG 35 2HB ARG 35 1.200 12.569 14.034 250 HG2 ARG 35 1HG ARG 35 -0.376 12.920 11.968 251 HG3 ARG 35 2HG ARG 35 -1.395 13.826 13.069 252 HD2 ARG 35 1HD ARG 35 1.569 14.417 12.604 253 HD3 ARG 35 2HD ARG 35 0.261 15.262 11.800 254 HE ARG 35 HE ARG 35 -0.135 15.304 14.664 255 HH11 ARG 35 2HH2 ARG 35 1.780 16.776 12.105 256 HH12 ARG 35 1HH2 ARG 35 2.051 18.247 12.979 257 HH21 ARG 35 2HH1 ARG 35 0.222 17.244 15.817 258 HH22 ARG 35 1HH1 ARG 35 1.159 18.515 15.105 259 H ASP 36 H ASP 36 -2.060 9.420 14.955 260 HA ASP 36 HA ASP 36 -0.353 8.526 16.970 261 HB2 ASP 36 1HB ASP 36 -1.592 10.911 17.669 262 HB3 ASP 36 2HB ASP 36 -2.729 9.734 18.297 263 H ILE 37 H ILE 37 -2.087 7.553 14.795 264 HA ILE 37 HA ILE 37 -4.027 6.024 16.385 265 HB ILE 37 HB ILE 37 -4.330 7.473 13.806 266 HG12 ILE 37 1HG1 ILE 37 -5.315 7.896 16.279 267 HG13 ILE 37 2HG1 ILE 37 -6.116 8.412 14.808 268 HG21 ILE 37 1HG2 ILE 37 -6.287 5.982 13.250 269 HG22 ILE 37 2HG2 ILE 37 -4.676 5.275 12.982 270 HG23 ILE 37 3HG2 ILE 37 -5.625 4.809 14.414 271 HD11 ILE 37 1HD1 ILE 37 -6.619 5.691 16.088 272 HD12 ILE 37 2HD1 ILE 37 -7.592 7.137 16.451 273 HD13 ILE 37 3HD1 ILE 37 -7.566 6.474 14.799 274 HA PRO 38 HA PRO 38 -1.620 2.730 14.886 275 HB2 PRO 38 1HB PRO 38 -2.987 0.690 16.085 276 HB3 PRO 38 2HB PRO 38 -1.748 1.623 16.901 277 HG2 PRO 38 1HG PRO 38 -4.684 1.760 17.220 278 HG3 PRO 38 2HG PRO 38 -3.434 2.354 18.295 279 HD2 PRO 38 1HD PRO 38 -5.049 3.917 16.513 280 HD3 PRO 38 2HD PRO 38 -3.722 4.492 17.502 281 H LEU 39 H LEU 39 -1.520 1.249 13.211 282 HA LEU 39 HA LEU 39 -3.534 1.590 11.305 283 HB2 LEU 39 1HB LEU 39 -1.155 1.037 10.877 284 HB3 LEU 39 2HB LEU 39 -1.438 -0.578 11.497 285 HG LEU 39 HG LEU 39 -3.007 -1.045 9.686 286 HD11 LEU 39 1HD1 LEU 39 -2.627 1.011 7.832 287 HD12 LEU 39 2HD1 LEU 39 -4.112 0.634 8.740 288 HD13 LEU 39 3HD1 LEU 39 -2.962 1.836 9.373 289 HD21 LEU 39 1HD2 LEU 39 -1.441 -1.235 7.901 290 HD22 LEU 39 2HD2 LEU 39 -0.470 0.122 8.521 291 HD23 LEU 39 3HD2 LEU 39 -0.536 -1.411 9.423 292 H GLY 40 H GLY 40 -2.720 -1.274 13.390 293 HA2 GLY 40 1HA GLY 40 -4.084 -2.826 14.300 294 HA3 GLY 40 2HA GLY 40 -5.474 -1.864 13.836 295 H ALA 41 H ALA 41 -2.889 -3.111 11.648 296 HA ALA 41 HA ALA 41 -4.723 -5.124 10.630 297 HB1 ALA 41 1HB ALA 41 -4.523 -4.310 8.332 298 HB2 ALA 41 2HB ALA 41 -5.213 -3.033 9.362 299 HB3 ALA 41 3HB ALA 41 -3.503 -2.955 8.873 300 H THR 42 H THR 42 -3.558 -6.974 10.591 301 HA THR 42 HA THR 42 -0.660 -6.781 10.512 302 HB THR 42 HB THR 42 -2.287 -9.339 10.679 303 HG1 THR 42 1HG THR 42 -2.967 -8.663 12.713 304 HG21 THR 42 1HG2 THR 42 -0.512 -9.499 12.673 305 HG22 THR 42 2HG2 THR 42 -0.005 -9.852 11.003 306 HG23 THR 42 3HG2 THR 42 0.347 -8.263 11.724 307 H VAL 43 H VAL 43 0.666 -8.010 9.037 308 HA VAL 43 HA VAL 43 -0.698 -8.815 6.589 309 HB VAL 43 HB VAL 43 0.584 -7.458 5.187 310 HG11 VAL 43 1HG1 VAL 43 -1.260 -6.300 6.473 311 HG12 VAL 43 2HG1 VAL 43 0.003 -5.622 7.529 312 HG13 VAL 43 3HG1 VAL 43 -0.013 -5.227 5.793 313 HG21 VAL 43 1HG2 VAL 43 2.302 -6.835 7.607 314 HG22 VAL 43 2HG2 VAL 43 2.774 -7.687 6.117 315 HG23 VAL 43 3HG2 VAL 43 2.407 -5.946 6.068 316 H ARG 44 H ARG 44 0.442 -10.421 5.400 317 HA ARG 44 HA ARG 44 2.540 -11.624 6.999 318 HB2 ARG 44 1HB ARG 44 2.012 -13.714 5.751 319 HB3 ARG 44 2HB ARG 44 0.573 -13.057 6.505 320 HG2 ARG 44 1HG ARG 44 0.547 -11.782 4.035 321 HG3 ARG 44 2HG ARG 44 1.232 -13.341 3.623 322 HD2 ARG 44 1HD ARG 44 -1.110 -13.491 5.458 323 HD3 ARG 44 2HD ARG 44 -1.479 -12.828 3.878 324 HE ARG 44 HE ARG 44 -0.875 -15.584 4.460 325 HH11 ARG 44 2HH2 ARG 44 -0.346 -13.114 2.010 326 HH12 ARG 44 1HH2 ARG 44 -0.182 -14.253 0.715 327 HH21 ARG 44 2HH1 ARG 44 -0.659 -17.087 2.752 328 HH22 ARG 44 1HH1 ARG 44 -0.361 -16.528 1.140 329 H ASN 45 H ASN 45 4.294 -12.835 5.638 330 HA ASN 45 HA ASN 45 5.144 -10.974 3.598 331 HB2 ASN 45 1HB ASN 45 6.641 -11.764 5.565 332 HB3 ASN 45 2HB ASN 45 6.710 -13.325 4.772 333 HD21 ASN 45 1HD2 ASN 45 6.789 -9.944 3.645 334 HD22 ASN 45 2HD2 ASN 45 8.258 -10.050 2.734 335 H GLU 46 H GLU 46 4.956 -11.559 1.425 336 HA GLU 46 HA GLU 46 4.452 -14.380 0.905 337 HB2 GLU 46 1HB GLU 46 3.115 -11.992 0.060 338 HB3 GLU 46 2HB GLU 46 3.857 -12.687 -1.367 339 HG2 GLU 46 1HG GLU 46 1.940 -14.071 0.560 340 HG3 GLU 46 2HG GLU 46 1.632 -13.654 -1.113 341 H MET 47 H MET 47 5.245 -15.125 -1.364 342 HA MET 47 HA MET 47 7.706 -15.496 -1.644 343 HB2 MET 47 1HB MET 47 5.894 -14.341 -3.820 344 HB3 MET 47 2HB MET 47 7.495 -14.939 -4.207 345 HG2 MET 47 1HG MET 47 5.911 -16.818 -2.538 346 HG3 MET 47 2HG MET 47 5.183 -16.491 -4.099 347 HE1 MET 47 1HE MET 47 6.953 -19.896 -4.132 348 HE2 MET 47 2HE MET 47 5.476 -18.966 -3.780 349 HE3 MET 47 3HE MET 47 6.009 -19.189 -5.464 350 H ASP 48 H ASP 48 6.428 -12.304 -2.848 351 HA ASP 48 HA ASP 48 8.789 -11.048 -1.850 352 HB2 ASP 48 1HB ASP 48 8.116 -10.879 -4.825 353 HB3 ASP 48 2HB ASP 48 9.427 -10.040 -4.019 354 H SER 49 H SER 49 5.741 -11.095 -1.603 355 HA SER 49 HA SER 49 5.363 -8.259 -2.117 356 HB2 SER 49 1HB SER 49 3.526 -10.546 -2.875 357 HB3 SER 49 2HB SER 49 2.857 -8.962 -2.536 358 HG SER 49 HG SER 49 3.581 -9.602 -4.857 359 H VAL 50 H VAL 50 3.783 -7.235 -0.623 360 HA VAL 50 HA VAL 50 3.634 -8.745 1.884 361 HB VAL 50 HB VAL 50 3.518 -5.777 1.308 362 HG11 VAL 50 1HG1 VAL 50 4.037 -6.211 4.034 363 HG12 VAL 50 2HG1 VAL 50 2.544 -5.570 3.307 364 HG13 VAL 50 3HG1 VAL 50 2.700 -7.314 3.629 365 HG21 VAL 50 1HG2 VAL 50 5.693 -6.151 2.898 366 HG22 VAL 50 2HG2 VAL 50 5.712 -7.659 1.952 367 HG23 VAL 50 3HG2 VAL 50 5.751 -6.086 1.121 368 H ILE 51 H ILE 51 1.731 -9.868 1.929 369 HA ILE 51 HA ILE 51 -0.658 -8.422 1.034 370 HB ILE 51 HB ILE 51 -0.002 -11.353 1.250 371 HG12 ILE 51 1HG1 ILE 51 -0.556 -11.348 -1.148 372 HG13 ILE 51 2HG1 ILE 51 -0.875 -9.626 -1.085 373 HG21 ILE 51 1HG2 ILE 51 -2.271 -10.921 2.163 374 HG22 ILE 51 2HG2 ILE 51 -2.714 -10.163 0.614 375 HG23 ILE 51 3HG2 ILE 51 -2.275 -11.887 0.668 376 HD11 ILE 51 1HD1 ILE 51 1.780 -10.556 -0.028 377 HD12 ILE 51 2HD1 ILE 51 1.532 -10.600 -1.790 378 HD13 ILE 51 3HD1 ILE 51 1.368 -9.063 -0.906 379 H ILE 52 H ILE 52 -2.633 -8.656 2.362 380 HA ILE 52 HA ILE 52 -2.022 -8.180 5.085 381 HB ILE 52 HB ILE 52 -4.701 -8.626 3.766 382 HG12 ILE 52 1HG1 ILE 52 -3.459 -6.908 2.564 383 HG13 ILE 52 2HG1 ILE 52 -4.792 -6.206 3.459 384 HG21 ILE 52 1HG2 ILE 52 -4.029 -8.314 6.468 385 HG22 ILE 52 2HG2 ILE 52 -4.631 -6.724 5.943 386 HG23 ILE 52 3HG2 ILE 52 -5.641 -8.173 5.726 387 HD11 ILE 52 1HD1 ILE 52 -3.281 -5.462 5.245 388 HD12 ILE 52 2HD1 ILE 52 -1.912 -6.294 4.469 389 HD13 ILE 52 3HD1 ILE 52 -2.664 -4.889 3.676 390 H SER 53 H SER 53 -2.510 -9.437 6.940 391 HA SER 53 HA SER 53 -2.943 -12.247 6.285 392 HB2 SER 53 1HB SER 53 -1.117 -12.778 7.505 393 HB3 SER 53 2HB SER 53 -0.747 -11.067 7.585 394 HG SER 53 HG SER 53 -1.354 -10.995 9.649 395 H ARG 54 H ARG 54 -3.428 -9.614 8.723 396 HA ARG 54 HA ARG 54 -5.988 -10.781 9.299 397 HB2 ARG 54 1HB ARG 54 -4.517 -11.812 11.006 398 HB3 ARG 54 2HB ARG 54 -3.885 -10.241 11.455 399 HG2 ARG 54 1HG ARG 54 -6.028 -9.528 12.344 400 HG3 ARG 54 2HG ARG 54 -6.855 -10.902 11.637 401 HD2 ARG 54 1HD ARG 54 -4.844 -12.096 13.199 402 HD3 ARG 54 2HD ARG 54 -5.350 -10.728 14.171 403 HE ARG 54 HE ARG 54 -7.718 -11.962 13.225 404 HH11 ARG 54 2HH2 ARG 54 -4.999 -12.775 15.305 405 HH12 ARG 54 1HH2 ARG 54 -5.909 -13.881 16.278 406 HH21 ARG 54 2HH1 ARG 54 -8.920 -13.421 14.508 407 HH22 ARG 54 1HH1 ARG 54 -8.155 -14.251 15.822 408 H ILE 55 H ILE 55 -7.328 -9.207 10.725 409 HA ILE 55 HA ILE 55 -6.358 -6.460 10.365 410 HB ILE 55 HB ILE 55 -9.096 -7.566 9.742 411 HG12 ILE 55 1HG1 ILE 55 -7.540 -7.952 7.948 412 HG13 ILE 55 2HG1 ILE 55 -8.634 -6.665 7.486 413 HG21 ILE 55 1HG2 ILE 55 -8.803 -5.216 10.966 414 HG22 ILE 55 2HG2 ILE 55 -8.450 -4.692 9.302 415 HG23 ILE 55 3HG2 ILE 55 -10.001 -5.483 9.676 416 HD11 ILE 55 1HD1 ILE 55 -6.549 -5.285 8.746 417 HD12 ILE 55 2HD1 ILE 55 -5.717 -6.588 7.863 418 HD13 ILE 55 3HD1 ILE 55 -6.775 -5.456 6.988 419 H VAL 56 H VAL 56 -6.176 -5.440 12.280 420 HA VAL 56 HA VAL 56 -7.433 -6.631 14.587 421 HB VAL 56 HB VAL 56 -5.738 -4.139 14.433 422 HG11 VAL 56 1HG1 VAL 56 -5.867 -6.141 16.690 423 HG12 VAL 56 2HG1 VAL 56 -5.322 -4.447 16.720 424 HG13 VAL 56 3HG1 VAL 56 -7.054 -4.822 16.550 425 HG21 VAL 56 1HG2 VAL 56 -4.979 -6.802 13.706 426 HG22 VAL 56 2HG2 VAL 56 -3.966 -5.342 13.818 427 HG23 VAL 56 3HG2 VAL 56 -4.181 -6.387 15.243 428 H LYS 57 H LYS 57 -8.911 -5.531 16.001 429 HA LYS 57 HA LYS 57 -10.720 -3.847 14.543 430 HB2 LYS 57 1HB LYS 57 -11.805 -5.446 15.843 431 HB3 LYS 57 2HB LYS 57 -10.730 -5.232 17.210 432 HG2 LYS 57 1HG LYS 57 -11.704 -3.063 17.743 433 HG3 LYS 57 2HG LYS 57 -12.609 -3.032 16.243 434 HD2 LYS 57 1HD LYS 57 -14.223 -3.707 17.843 435 HD3 LYS 57 2HD LYS 57 -13.755 -5.214 17.080 436 HE2 LYS 57 1HE LYS 57 -12.035 -5.511 18.971 437 HE3 LYS 57 2HE LYS 57 -12.782 -4.140 19.765 438 HZ1 LYS 57 1HZ LYS 57 -14.478 -6.323 18.868 439 HZ2 LYS 57 2HZ LYS 57 -13.603 -6.519 20.232 440 HZ3 LYS 57 3HZ LYS 57 -14.687 -5.303 20.126 441 H GLY 58 H GLY 58 -11.351 -1.693 15.136 442 HA2 GLY 58 1HA GLY 58 -11.092 0.355 16.089 443 HA3 GLY 58 2HA GLY 58 -9.873 -0.289 17.171 444 H GLY 59 H GLY 59 -8.862 -1.440 14.246 445 HA2 GLY 59 1HA GLY 59 -6.772 0.504 14.022 446 HA3 GLY 59 2HA GLY 59 -7.030 -0.913 13.025 447 H ALA 60 H ALA 60 -6.318 1.874 12.211 448 HA ALA 60 HA ALA 60 -8.536 3.204 11.167 449 HB1 ALA 60 1HB ALA 60 -6.621 4.056 9.545 450 HB2 ALA 60 2HB ALA 60 -6.604 4.489 11.272 451 HB3 ALA 60 3HB ALA 60 -5.567 3.172 10.674 452 H ALA 61 H ALA 61 -6.886 0.264 10.214 453 HA ALA 61 HA ALA 61 -7.659 0.365 7.473 454 HB1 ALA 61 1HB ALA 61 -7.194 -2.311 8.437 455 HB2 ALA 61 2HB ALA 61 -6.155 -1.300 7.404 456 HB3 ALA 61 3HB ALA 61 -6.003 -1.213 9.176 457 H GLU 62 H GLU 62 -8.751 -1.671 10.289 458 HA GLU 62 HA GLU 62 -10.836 -2.861 9.062 459 HB2 GLU 62 1HB GLU 62 -10.315 -3.633 11.224 460 HB3 GLU 62 2HB GLU 62 -10.327 -2.025 11.919 461 HG2 GLU 62 1HG GLU 62 -12.735 -1.899 11.858 462 HG3 GLU 62 2HG GLU 62 -12.859 -3.281 10.788 463 H LYS 63 H LYS 63 -11.068 0.150 11.102 464 HA LYS 63 HA LYS 63 -13.647 0.769 10.793 465 HB2 LYS 63 1HB LYS 63 -11.164 2.275 11.212 466 HB3 LYS 63 2HB LYS 63 -12.428 3.237 10.472 467 HG2 LYS 63 1HG LYS 63 -13.696 3.249 12.373 468 HG3 LYS 63 2HG LYS 63 -13.463 1.534 12.649 469 HD2 LYS 63 1HD LYS 63 -11.044 2.167 13.400 470 HD3 LYS 63 2HD LYS 63 -11.623 3.820 13.455 471 HE2 LYS 63 1HE LYS 63 -13.293 1.730 14.841 472 HE3 LYS 63 2HE LYS 63 -11.772 2.169 15.593 473 HZ1 LYS 63 1HZ LYS 63 -12.448 4.399 15.707 474 HZ2 LYS 63 2HZ LYS 63 -13.741 4.168 14.738 475 HZ3 LYS 63 3HZ LYS 63 -13.723 3.528 16.240 476 H SER 64 H SER 64 -11.167 2.156 8.524 477 HA SER 64 HA SER 64 -12.957 3.043 6.691 478 HB2 SER 64 1HB SER 64 -10.327 1.881 5.764 479 HB3 SER 64 2HB SER 64 -11.114 3.363 5.258 480 HG SER 64 HG SER 64 -9.516 2.851 7.562 481 H GLY 65 H GLY 65 -11.272 -0.168 6.831 482 HA2 GLY 65 1HA GLY 65 -12.129 -2.194 6.187 483 HA3 GLY 65 2HA GLY 65 -13.503 -1.401 5.444 484 H LEU 66 H LEU 66 -10.453 0.059 4.635 485 HA LEU 66 HA LEU 66 -10.753 -0.834 1.921 486 HB2 LEU 66 1HB LEU 66 -8.539 0.873 3.034 487 HB3 LEU 66 2HB LEU 66 -9.135 0.795 1.388 488 HG LEU 66 HG LEU 66 -10.400 2.108 3.788 489 HD11 LEU 66 1HD1 LEU 66 -8.739 3.100 1.881 490 HD12 LEU 66 2HD1 LEU 66 -10.328 3.438 1.154 491 HD13 LEU 66 3HD1 LEU 66 -9.941 4.061 2.775 492 HD21 LEU 66 1HD2 LEU 66 -12.314 1.092 3.013 493 HD22 LEU 66 2HD2 LEU 66 -12.311 2.600 2.067 494 HD23 LEU 66 3HD2 LEU 66 -11.760 1.081 1.321 495 H LEU 67 H LEU 67 -8.977 -1.758 4.790 496 HA LEU 67 HA LEU 67 -7.153 -3.355 3.146 497 HB2 LEU 67 1HB LEU 67 -7.043 -2.423 6.011 498 HB3 LEU 67 2HB LEU 67 -5.971 -3.654 5.371 499 HG LEU 67 HG LEU 67 -4.692 -1.733 5.223 500 HD11 LEU 67 1HD1 LEU 67 -4.190 -1.503 2.994 501 HD12 LEU 67 2HD1 LEU 67 -5.148 -3.003 2.971 502 HD13 LEU 67 3HD1 LEU 67 -5.898 -1.461 2.495 503 HD21 LEU 67 1HD2 LEU 67 -6.906 -0.089 4.007 504 HD22 LEU 67 2HD2 LEU 67 -6.720 -0.256 5.769 505 HD23 LEU 67 3HD2 LEU 67 -5.406 0.451 4.799 506 H HIS 68 H HIS 68 -7.593 -5.470 2.854 507 HA HIS 68 HA HIS 68 -9.112 -6.801 4.961 508 HB2 HIS 68 1HB HIS 68 -9.831 -6.520 2.076 509 HB3 HIS 68 2HB HIS 68 -10.141 -8.065 2.842 510 HD1 HIS 68 1HD HIS 68 -12.502 -8.197 3.612 511 HD2 HIS 68 2HD HIS 68 -10.931 -4.333 4.051 512 HE1 HIS 68 1HE HIS 68 -14.362 -6.781 4.634 513 H GLU 69 H GLU 69 -8.766 -9.151 5.032 514 HA GLU 69 HA GLU 69 -6.089 -9.765 4.614 515 HB2 GLU 69 1HB GLU 69 -8.434 -11.651 5.114 516 HB3 GLU 69 2HB GLU 69 -6.743 -12.056 5.332 517 HG2 GLU 69 1HG GLU 69 -6.492 -10.573 7.183 518 HG3 GLU 69 2HG GLU 69 -7.927 -9.657 6.767 519 H GLY 70 H GLY 70 -5.065 -10.227 2.719 520 HA2 GLY 70 1HA GLY 70 -4.962 -11.918 0.949 521 HA3 GLY 70 2HA GLY 70 -6.649 -11.580 0.616 522 H ASP 71 H ASP 71 -5.562 -8.600 1.489 523 HA ASP 71 HA ASP 71 -5.411 -7.779 -1.217 524 HB2 ASP 71 1HB ASP 71 -5.540 -6.508 1.480 525 HB3 ASP 71 2HB ASP 71 -4.688 -5.565 0.273 526 H GLU 72 H GLU 72 -3.518 -7.145 -2.357 527 HA GLU 72 HA GLU 72 -1.040 -7.646 -0.927 528 HB2 GLU 72 1HB GLU 72 -1.315 -8.999 -2.927 529 HB3 GLU 72 2HB GLU 72 -1.716 -7.595 -3.896 530 HG2 GLU 72 1HG GLU 72 0.542 -6.697 -3.677 531 HG3 GLU 72 2HG GLU 72 0.965 -7.897 -2.471 532 H VAL 73 H VAL 73 0.392 -6.000 -0.486 533 HA VAL 73 HA VAL 73 -0.386 -3.351 -1.418 534 HB VAL 73 HB VAL 73 1.695 -4.113 0.632 535 HG11 VAL 73 1HG1 VAL 73 1.543 -1.871 1.392 536 HG12 VAL 73 2HG1 VAL 73 1.651 -1.775 -0.382 537 HG13 VAL 73 3HG1 VAL 73 0.080 -1.560 0.427 538 HG21 VAL 73 1HG2 VAL 73 -0.008 -3.792 2.356 539 HG22 VAL 73 2HG2 VAL 73 -1.244 -3.508 1.107 540 HG23 VAL 73 3HG2 VAL 73 -0.477 -5.107 1.252 541 H LEU 74 H LEU 74 0.949 -2.033 -2.672 542 HA LEU 74 HA LEU 74 3.468 -3.261 -3.535 543 HB2 LEU 74 1HB LEU 74 1.647 -1.800 -5.429 544 HB3 LEU 74 2HB LEU 74 3.045 -2.791 -5.796 545 HG LEU 74 HG LEU 74 0.559 -3.958 -4.540 546 HD11 LEU 74 1HD1 LEU 74 0.168 -2.695 -6.765 547 HD12 LEU 74 2HD1 LEU 74 1.065 -4.042 -7.505 548 HD13 LEU 74 3HD1 LEU 74 -0.434 -4.362 -6.601 549 HD21 LEU 74 1HD2 LEU 74 2.586 -5.313 -4.402 550 HD22 LEU 74 2HD2 LEU 74 1.391 -6.053 -5.494 551 HD23 LEU 74 3HD2 LEU 74 2.798 -5.195 -6.165 552 H GLU 75 H GLU 75 1.440 -0.247 -3.583 553 HA GLU 75 HA GLU 75 3.843 1.157 -2.756 554 HB2 GLU 75 1HB GLU 75 2.471 1.447 -5.312 555 HB3 GLU 75 2HB GLU 75 2.411 2.957 -4.425 556 HG2 GLU 75 1HG GLU 75 4.793 3.109 -4.275 557 HG3 GLU 75 2HG GLU 75 5.017 1.411 -4.649 558 H ILE 76 H ILE 76 3.461 2.952 -1.356 559 HA ILE 76 HA ILE 76 0.658 3.479 -0.721 560 HB ILE 76 HB ILE 76 2.793 2.534 1.170 561 HG12 ILE 76 1HG1 ILE 76 -0.080 1.701 0.673 562 HG13 ILE 76 2HG1 ILE 76 1.357 0.828 0.178 563 HG21 ILE 76 1HG2 ILE 76 0.497 3.253 2.654 564 HG22 ILE 76 2HG2 ILE 76 2.135 3.943 2.749 565 HG23 ILE 76 3HG2 ILE 76 0.929 4.662 1.656 566 HD11 ILE 76 1HD1 ILE 76 1.380 1.492 3.055 567 HD12 ILE 76 2HD1 ILE 76 -0.001 0.473 2.583 568 HD13 ILE 76 3HD1 ILE 76 1.661 -0.070 2.249 569 H ASN 77 H ASN 77 0.460 5.578 -1.321 570 HA ASN 77 HA ASN 77 0.755 7.727 -1.328 571 HB2 ASN 77 1HB ASN 77 1.755 7.002 1.203 572 HB3 ASN 77 2HB ASN 77 3.050 7.974 0.532 573 HD21 ASN 77 1HD2 ASN 77 0.608 8.192 2.517 574 HD22 ASN 77 2HD2 ASN 77 0.000 9.788 2.229 575 H GLY 78 H GLY 78 2.696 5.578 -2.625 576 HA2 GLY 78 1HA GLY 78 4.025 6.249 -4.513 577 HA3 GLY 78 2HA GLY 78 4.708 7.539 -3.544 578 H ILE 79 H ILE 79 4.849 5.739 -1.084 579 HA ILE 79 HA ILE 79 7.462 4.755 -1.599 580 HB ILE 79 HB ILE 79 5.618 4.559 0.781 581 HG12 ILE 79 1HG1 ILE 79 7.843 6.127 1.390 582 HG13 ILE 79 2HG1 ILE 79 7.431 6.604 -0.245 583 HG21 ILE 79 1HG2 ILE 79 8.420 4.175 1.383 584 HG22 ILE 79 2HG2 ILE 79 7.013 3.169 1.805 585 HG23 ILE 79 3HG2 ILE 79 7.838 2.936 0.245 586 HD11 ILE 79 1HD1 ILE 79 6.076 8.018 1.075 587 HD12 ILE 79 2HD1 ILE 79 4.959 6.704 0.635 588 HD13 ILE 79 3HD1 ILE 79 5.711 6.729 2.247 589 H GLU 80 H GLU 80 8.145 2.733 -2.158 590 HA GLU 80 HA GLU 80 6.205 0.936 -3.086 591 HB2 GLU 80 1HB GLU 80 9.071 1.275 -3.236 592 HB3 GLU 80 2HB GLU 80 8.736 -0.387 -2.791 593 HG2 GLU 80 1HG GLU 80 7.401 -0.767 -4.746 594 HG3 GLU 80 2HG GLU 80 7.219 0.946 -5.063 595 H ILE 81 H ILE 81 5.930 -1.355 -2.375 596 HA ILE 81 HA ILE 81 6.528 -1.693 0.476 597 HB ILE 81 HB ILE 81 3.908 -2.217 -0.929 598 HG12 ILE 81 1HG1 ILE 81 4.644 0.155 -0.077 599 HG13 ILE 81 2HG1 ILE 81 3.017 -0.435 0.199 600 HG21 ILE 81 1HG2 ILE 81 3.322 -2.756 1.613 601 HG22 ILE 81 2HG2 ILE 81 3.894 -4.003 0.479 602 HG23 ILE 81 3HG2 ILE 81 5.030 -3.256 1.629 603 HD11 ILE 81 1HD1 ILE 81 3.444 -0.944 2.482 604 HD12 ILE 81 2HD1 ILE 81 5.208 -0.931 2.243 605 HD13 ILE 81 3HD1 ILE 81 4.296 0.597 2.219 606 H ARG 82 H ARG 82 5.535 -3.264 -2.633 607 HA ARG 82 HA ARG 82 5.837 -5.814 -2.071 608 HB2 ARG 82 1HB ARG 82 5.843 -4.268 -4.409 609 HB3 ARG 82 2HB ARG 82 7.368 -5.125 -4.517 610 HG2 ARG 82 1HG ARG 82 6.022 -7.274 -3.954 611 HG3 ARG 82 2HG ARG 82 4.580 -6.324 -4.253 612 HD2 ARG 82 1HD ARG 82 5.906 -5.689 -6.519 613 HD3 ARG 82 2HD ARG 82 6.706 -7.215 -6.199 614 HE ARG 82 HE ARG 82 3.959 -7.732 -5.876 615 HH11 ARG 82 2HH2 ARG 82 6.065 -6.612 -8.463 616 HH12 ARG 82 1HH2 ARG 82 5.075 -7.266 -9.725 617 HH21 ARG 82 2HH1 ARG 82 2.653 -8.595 -7.540 618 HH22 ARG 82 1HH1 ARG 82 3.121 -8.401 -9.196 619 H GLY 83 H GLY 83 7.433 -7.194 -1.316 620 HA2 GLY 83 1HA GLY 83 9.587 -8.033 -1.186 621 HA3 GLY 83 2HA GLY 83 10.238 -6.514 -1.768 622 H LYS 84 H LYS 84 9.115 -4.605 -0.071 623 HA LYS 84 HA LYS 84 10.759 -4.523 2.046 624 HB2 LYS 84 1HB LYS 84 7.916 -3.468 1.953 625 HB3 LYS 84 2HB LYS 84 9.167 -2.936 3.059 626 HG2 LYS 84 1HG LYS 84 10.555 -2.559 0.797 627 HG3 LYS 84 2HG LYS 84 8.959 -2.499 0.077 628 HD2 LYS 84 1HD LYS 84 8.297 -0.715 1.716 629 HD3 LYS 84 2HD LYS 84 9.907 -0.764 2.408 630 HE2 LYS 84 1HE LYS 84 9.356 -0.148 -0.534 631 HE3 LYS 84 2HE LYS 84 9.540 1.088 0.695 632 HZ1 LYS 84 1HZ LYS 84 11.736 0.293 1.131 633 HZ2 LYS 84 2HZ LYS 84 11.570 -0.945 0.079 634 HZ3 LYS 84 3HZ LYS 84 11.597 0.593 -0.468 635 H ASP 85 H ASP 85 10.362 -4.781 4.431 636 HA ASP 85 HA ASP 85 9.237 -7.395 4.820 637 HB2 ASP 85 1HB ASP 85 11.426 -6.932 5.805 638 HB3 ASP 85 2HB ASP 85 10.820 -5.495 6.604 639 H VAL 86 H VAL 86 7.788 -7.754 6.809 640 HA VAL 86 HA VAL 86 5.573 -6.102 6.752 641 HB VAL 86 HB VAL 86 4.846 -7.362 8.705 642 HG11 VAL 86 1HG1 VAL 86 5.207 -9.693 7.761 643 HG12 VAL 86 2HG1 VAL 86 4.546 -8.487 6.630 644 HG13 VAL 86 3HG1 VAL 86 6.266 -8.941 6.543 645 HG21 VAL 86 1HG2 VAL 86 6.739 -7.468 10.114 646 HG22 VAL 86 2HG2 VAL 86 6.448 -9.148 9.602 647 HG23 VAL 86 3HG2 VAL 86 7.750 -8.199 8.844 648 H ASN 87 H ASN 87 8.313 -6.249 9.119 649 HA ASN 87 HA ASN 87 7.341 -4.327 10.813 650 HB2 ASN 87 1HB ASN 87 9.721 -5.841 10.517 651 HB3 ASN 87 2HB ASN 87 10.268 -4.177 10.471 652 HD21 ASN 87 1HD2 ASN 87 8.151 -6.394 12.259 653 HD22 ASN 87 2HD2 ASN 87 8.400 -5.722 13.836 654 H GLU 88 H GLU 88 9.489 -4.109 7.894 655 HA GLU 88 HA GLU 88 10.116 -1.467 8.031 656 HB2 GLU 88 1HB GLU 88 10.353 -3.580 6.147 657 HB3 GLU 88 2HB GLU 88 9.603 -2.260 5.271 658 HG2 GLU 88 1HG GLU 88 11.590 -0.960 6.752 659 HG3 GLU 88 2HG GLU 88 12.353 -2.483 6.340 660 H VAL 89 H VAL 89 7.257 -3.016 6.417 661 HA VAL 89 HA VAL 89 6.147 -0.653 5.453 662 HB VAL 89 HB VAL 89 5.109 -3.386 6.132 663 HG11 VAL 89 1HG1 VAL 89 2.922 -2.816 5.227 664 HG12 VAL 89 2HG1 VAL 89 3.283 -1.790 6.636 665 HG13 VAL 89 3HG1 VAL 89 3.430 -1.127 4.991 666 HG21 VAL 89 1HG2 VAL 89 6.375 -2.225 3.898 667 HG22 VAL 89 2HG2 VAL 89 5.626 -3.836 4.009 668 HG23 VAL 89 3HG2 VAL 89 4.672 -2.449 3.431 669 H PHE 90 H PHE 90 5.360 -2.531 8.467 670 HA PHE 90 HA PHE 90 3.497 -0.829 9.493 671 HB2 PHE 90 1HB PHE 90 5.771 -2.432 10.806 672 HB3 PHE 90 2HB PHE 90 4.434 -1.768 11.724 673 HD1 PHE 90 2HD PHE 90 2.232 -2.342 9.714 674 HD2 PHE 90 1HD PHE 90 5.419 -4.732 11.176 675 HE1 PHE 90 2HE PHE 90 0.889 -4.413 9.257 676 HE2 PHE 90 1HE PHE 90 4.076 -6.803 10.718 677 HZ PHE 90 HZ PHE 90 1.827 -6.618 9.764 678 H ASP 91 H ASP 91 7.088 -0.589 9.652 679 HA ASP 91 HA ASP 91 7.116 1.500 11.486 680 HB2 ASP 91 1HB ASP 91 8.991 -0.033 9.975 681 HB3 ASP 91 2HB ASP 91 9.320 1.641 9.574 682 H LEU 92 H LEU 92 6.777 1.260 7.931 683 HA LEU 92 HA LEU 92 7.299 3.967 7.353 684 HB2 LEU 92 1HB LEU 92 6.164 1.611 5.946 685 HB3 LEU 92 2HB LEU 92 5.768 3.190 5.297 686 HG LEU 92 HG LEU 92 8.617 2.960 5.869 687 HD11 LEU 92 1HD1 LEU 92 8.847 0.782 5.333 688 HD12 LEU 92 2HD1 LEU 92 7.295 0.713 4.464 689 HD13 LEU 92 3HD1 LEU 92 8.731 1.400 3.668 690 HD21 LEU 92 1HD2 LEU 92 8.464 3.408 3.227 691 HD22 LEU 92 2HD2 LEU 92 6.816 3.889 3.698 692 HD23 LEU 92 3HD2 LEU 92 8.223 4.678 4.450 693 H LEU 93 H LEU 93 4.125 2.188 7.311 694 HA LEU 93 HA LEU 93 2.482 4.315 7.117 695 HB2 LEU 93 1HB LEU 93 2.206 1.716 8.605 696 HB3 LEU 93 2HB LEU 93 0.899 2.882 8.557 697 HG LEU 93 HG LEU 93 0.751 1.028 6.876 698 HD11 LEU 93 1HD1 LEU 93 -0.308 2.342 5.308 699 HD12 LEU 93 2HD1 LEU 93 -0.246 3.439 6.708 700 HD13 LEU 93 3HD1 LEU 93 0.926 3.623 5.381 701 HD21 LEU 93 1HD2 LEU 93 3.089 2.460 5.583 702 HD22 LEU 93 2HD2 LEU 93 3.120 0.839 6.317 703 HD23 LEU 93 3HD2 LEU 93 2.140 1.138 4.862 704 H SER 94 H SER 94 3.564 2.872 10.278 705 HA SER 94 HA SER 94 2.434 4.607 11.947 706 HB2 SER 94 1HB SER 94 4.262 2.621 12.217 707 HB3 SER 94 2HB SER 94 5.317 3.991 12.505 708 HG SER 94 HG SER 94 4.536 4.009 14.491 709 H ASP 95 H ASP 95 5.653 5.057 10.316 710 HA ASP 95 HA ASP 95 6.218 7.499 11.416 711 HB2 ASP 95 1HB ASP 95 7.894 6.258 10.171 712 HB3 ASP 95 2HB ASP 95 6.913 6.265 8.719 713 H MET 96 H MET 96 4.126 6.507 8.692 714 HA MET 96 HA MET 96 3.774 9.238 7.854 715 HB2 MET 96 1HB MET 96 2.420 6.652 6.903 716 HB3 MET 96 2HB MET 96 2.373 8.191 6.066 717 HG2 MET 96 1HG MET 96 5.092 7.869 6.318 718 HG3 MET 96 2HG MET 96 4.592 6.191 6.236 719 HE1 MET 96 1HE MET 96 2.234 6.338 3.101 720 HE2 MET 96 2HE MET 96 3.383 5.133 3.730 721 HE3 MET 96 3HE MET 96 2.254 5.950 4.838 722 H HIS 97 H HIS 97 1.466 10.074 7.514 723 HA HIS 97 HA HIS 97 -0.561 8.899 9.131 724 HB2 HIS 97 1HB HIS 97 0.579 11.560 10.026 725 HB3 HIS 97 2HB HIS 97 -0.825 10.755 10.697 726 HD1 HIS 97 1HD HIS 97 -0.258 8.255 11.782 727 HD2 HIS 97 2HD HIS 97 2.923 10.947 11.302 728 HE1 HIS 97 1HE HIS 97 1.613 7.430 13.308 729 H GLY 98 H GLY 98 -2.612 10.295 9.032 730 HA2 GLY 98 1HA GLY 98 -3.952 11.828 7.967 731 HA3 GLY 98 2HA GLY 98 -2.628 12.288 6.915 732 H THR 99 H THR 99 -4.332 12.150 5.185 733 HA THR 99 HA THR 99 -5.416 9.591 4.540 734 HB THR 99 HB THR 99 -5.166 12.134 2.851 735 HG1 THR 99 1HG THR 99 -6.207 12.647 4.832 736 HG21 THR 99 1HG2 THR 99 -7.526 10.236 2.927 737 HG22 THR 99 2HG2 THR 99 -7.000 11.317 1.614 738 HG23 THR 99 3HG2 THR 99 -6.116 9.804 1.930 739 H LEU 100 H LEU 100 -3.954 7.979 4.198 740 HA LEU 100 HA LEU 100 -1.780 8.564 2.336 741 HB2 LEU 100 1HB LEU 100 -2.033 5.962 3.760 742 HB3 LEU 100 2HB LEU 100 -0.601 6.853 3.284 743 HG LEU 100 HG LEU 100 -1.922 8.463 5.203 744 HD11 LEU 100 1HD1 LEU 100 -2.192 5.555 5.752 745 HD12 LEU 100 2HD1 LEU 100 -1.640 6.585 7.095 746 HD13 LEU 100 3HD1 LEU 100 -3.188 6.930 6.288 747 HD21 LEU 100 1HD2 LEU 100 0.278 8.734 5.465 748 HD22 LEU 100 2HD2 LEU 100 0.205 7.301 6.518 749 HD23 LEU 100 3HD2 LEU 100 0.649 7.124 4.803 750 H THR 101 H THR 101 -1.599 7.568 0.336 751 HA THR 101 HA THR 101 -4.036 6.260 -0.582 752 HB THR 101 HB THR 101 -1.585 7.511 -1.909 753 HG1 THR 101 1HG THR 101 -3.179 9.072 -2.320 754 HG21 THR 101 1HG2 THR 101 -3.443 7.150 -3.913 755 HG22 THR 101 2HG2 THR 101 -2.041 6.082 -3.672 756 HG23 THR 101 3HG2 THR 101 -3.630 5.627 -3.011 757 H PHE 102 H PHE 102 -4.203 4.134 -0.212 758 HA PHE 102 HA PHE 102 -1.767 2.553 -0.262 759 HB2 PHE 102 1HB PHE 102 -4.717 2.111 0.469 760 HB3 PHE 102 2HB PHE 102 -3.568 0.788 0.473 761 HD1 PHE 102 1HD PHE 102 -4.152 4.148 1.964 762 HD2 PHE 102 2HD PHE 102 -2.306 0.349 2.382 763 HE1 PHE 102 1HE PHE 102 -3.494 4.726 4.316 764 HE2 PHE 102 2HE PHE 102 -1.648 0.928 4.734 765 HZ PHE 102 HZ PHE 102 -2.250 3.109 5.673 766 H VAL 103 H VAL 103 -1.113 1.612 -2.132 767 HA VAL 103 HA VAL 103 -3.159 1.124 -4.167 768 HB VAL 103 HB VAL 103 -0.144 1.181 -4.397 769 HG11 VAL 103 1HG1 VAL 103 -1.625 -0.112 -6.103 770 HG12 VAL 103 2HG1 VAL 103 -2.101 1.508 -6.666 771 HG13 VAL 103 3HG1 VAL 103 -0.390 1.018 -6.709 772 HG21 VAL 103 1HG2 VAL 103 -0.316 3.403 -4.207 773 HG22 VAL 103 2HG2 VAL 103 -1.187 3.381 -5.759 774 HG23 VAL 103 3HG2 VAL 103 -2.095 3.341 -4.228 775 H LEU 104 H LEU 104 -4.085 -0.829 -3.516 776 HA LEU 104 HA LEU 104 -2.262 -3.103 -3.695 777 HB2 LEU 104 1HB LEU 104 -3.777 -4.095 -1.810 778 HB3 LEU 104 2HB LEU 104 -2.355 -3.141 -1.438 779 HG LEU 104 HG LEU 104 -4.300 -1.204 -1.539 780 HD11 LEU 104 1HD1 LEU 104 -6.209 -2.020 -0.231 781 HD12 LEU 104 2HD1 LEU 104 -6.091 -2.833 -1.810 782 HD13 LEU 104 3HD1 LEU 104 -5.569 -3.678 -0.333 783 HD21 LEU 104 1HD2 LEU 104 -2.522 -1.488 0.150 784 HD22 LEU 104 2HD2 LEU 104 -4.106 -1.125 0.874 785 HD23 LEU 104 3HD2 LEU 104 -3.472 -2.788 0.909 786 H ILE 105 H ILE 105 -3.489 -5.174 -4.125 787 HA ILE 105 HA ILE 105 -5.833 -4.519 -5.764 788 HB ILE 105 HB ILE 105 -4.023 -6.916 -6.014 789 HG12 ILE 105 1HG1 ILE 105 -3.878 -4.383 -7.667 790 HG13 ILE 105 2HG1 ILE 105 -2.817 -4.709 -6.311 791 HG21 ILE 105 1HG2 ILE 105 -5.765 -5.740 -8.164 792 HG22 ILE 105 2HG2 ILE 105 -5.110 -7.388 -8.008 793 HG23 ILE 105 3HG2 ILE 105 -6.438 -6.854 -6.950 794 HD11 ILE 105 1HD1 ILE 105 -1.836 -6.614 -7.378 795 HD12 ILE 105 2HD1 ILE 105 -3.140 -6.703 -8.586 796 HD13 ILE 105 3HD1 ILE 105 -1.954 -5.377 -8.652 797 HA PRO 106 HA PRO 106 -8.016 -6.813 -2.774 798 HB2 PRO 106 1HB PRO 106 -10.518 -6.463 -3.816 799 HB3 PRO 106 2HB PRO 106 -9.750 -5.298 -2.756 800 HG2 PRO 106 1HG PRO 106 -10.157 -5.158 -5.681 801 HG3 PRO 106 2HG PRO 106 -9.791 -3.861 -4.560 802 HD2 PRO 106 1HD PRO 106 -7.966 -5.127 -6.375 803 HD3 PRO 106 2HD PRO 106 -7.576 -3.912 -5.174 804 H SER 107 H SER 107 -7.775 -8.944 -2.606 805 HA SER 107 HA SER 107 -7.947 -10.466 -4.971 806 HB2 SER 107 1HB SER 107 -6.423 -11.338 -3.421 807 HB3 SER 107 2HB SER 107 -7.470 -11.030 -2.050 808 HG SER 107 HG SER 107 -7.255 -13.298 -3.612 809 H SER 108 H SER 108 -10.306 -9.390 -5.219 810 HA SER 108 HA SER 108 -12.491 -9.536 -5.067 811 HB2 SER 108 1HB SER 108 -11.706 -12.463 -5.381 812 HB3 SER 108 2HB SER 108 -13.359 -11.904 -5.546 813 HG SER 108 HG SER 108 -12.768 -11.635 -7.602 814 H GLY 109 H GLY 109 -11.133 -9.537 -2.436 815 HA2 GLY 109 1HA GLY 109 -11.785 -9.653 -0.280 816 HA3 GLY 109 2HA GLY 109 -13.350 -10.243 -0.803 817 HA PRO 110 HA PRO 110 -10.701 -13.676 0.922 818 HB2 PRO 110 1HB PRO 110 -11.347 -13.675 3.578 819 HB3 PRO 110 2HB PRO 110 -9.886 -12.943 2.947 820 HG2 PRO 110 1HG PRO 110 -12.358 -11.628 3.895 821 HG3 PRO 110 2HG PRO 110 -10.764 -10.936 3.669 822 HD2 PRO 110 1HD PRO 110 -13.033 -10.620 1.943 823 HD3 PRO 110 2HD PRO 110 -11.409 -10.026 1.659 824 H SER 111 H SER 111 -12.173 -14.725 -0.534 825 HA SER 111 HA SER 111 -14.635 -15.483 0.761 826 HB2 SER 111 1HB SER 111 -13.559 -15.589 -2.053 827 HB3 SER 111 2HB SER 111 -14.836 -16.706 -1.617 828 HG SER 111 HG SER 111 -14.909 -13.817 -1.473 829 H SER 112 H SER 112 -15.271 -17.761 0.993 830 HA SER 112 HA SER 112 -12.916 -19.454 1.242 831 HB2 SER 112 1HB SER 112 -14.679 -18.821 3.191 832 HB3 SER 112 2HB SER 112 -15.535 -20.194 2.517 833 HG SER 112 HG SER 112 -13.695 -21.527 2.896 834 H GLY 113 H GLY 113 -12.687 -20.915 -0.409 835 HA2 GLY 113 1HA GLY 113 -14.813 -21.499 -2.212 836 HA3 GLY 113 2HA GLY 113 -13.215 -22.217 -2.175 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 20.967 10.832 -44.680 2 HA2 GLY 1 1HA GLY 1 19.044 9.425 -45.037 3 HA3 GLY 1 2HA GLY 1 20.091 8.232 -45.781 4 H SER 2 H SER 2 21.373 6.827 -44.492 5 HA SER 2 HA SER 2 21.965 5.700 -42.734 6 HB2 SER 2 1HB SER 2 22.561 8.193 -41.961 7 HB3 SER 2 2HB SER 2 21.283 7.908 -40.795 8 HG SER 2 HG SER 2 23.409 5.996 -41.160 9 H SER 3 H SER 3 21.087 4.800 -40.500 10 HA SER 3 HA SER 3 18.174 4.907 -40.640 11 HB2 SER 3 1HB SER 3 18.088 2.556 -40.047 12 HB3 SER 3 2HB SER 3 19.159 2.730 -41.424 13 HG SER 3 HG SER 3 20.044 1.331 -39.757 14 H GLY 4 H GLY 4 17.102 5.366 -38.715 15 HA2 GLY 4 1HA GLY 4 18.534 6.409 -36.540 16 HA3 GLY 4 2HA GLY 4 16.826 6.020 -36.584 17 H SER 5 H SER 5 18.210 5.619 -34.215 18 HA SER 5 HA SER 5 17.954 2.770 -33.993 19 HB2 SER 5 1HB SER 5 20.548 4.055 -34.097 20 HB3 SER 5 2HB SER 5 20.306 3.410 -32.486 21 HG SER 5 HG SER 5 19.845 1.328 -33.418 22 H SER 6 H SER 6 16.155 3.117 -32.623 23 HA SER 6 HA SER 6 16.117 5.062 -30.649 24 HB2 SER 6 1HB SER 6 14.515 2.582 -31.257 25 HB3 SER 6 2HB SER 6 14.283 3.351 -29.699 26 HG SER 6 HG SER 6 13.812 4.431 -32.326 27 H GLY 7 H GLY 7 16.352 4.880 -28.315 28 HA2 GLY 7 1HA GLY 7 17.240 2.448 -27.103 29 HA3 GLY 7 2HA GLY 7 18.572 3.547 -27.401 30 HA PRO 8 HA PRO 8 17.230 5.212 -23.558 31 HB2 PRO 8 1HB PRO 8 19.477 6.675 -23.030 32 HB3 PRO 8 2HB PRO 8 19.312 4.984 -22.601 33 HG2 PRO 8 1HG PRO 8 20.872 6.194 -24.801 34 HG3 PRO 8 2HG PRO 8 21.022 4.595 -24.098 35 HD2 PRO 8 1HD PRO 8 19.789 5.260 -26.601 36 HD3 PRO 8 2HD PRO 8 19.838 3.681 -25.843 37 H ILE 9 H ILE 9 15.473 6.295 -24.639 38 HA ILE 9 HA ILE 9 16.203 9.006 -25.433 39 HB ILE 9 HB ILE 9 13.741 7.317 -25.849 40 HG12 ILE 9 1HG1 ILE 9 15.804 8.448 -27.764 41 HG13 ILE 9 2HG1 ILE 9 15.652 6.771 -27.278 42 HG21 ILE 9 1HG2 ILE 9 13.528 9.639 -27.405 43 HG22 ILE 9 2HG2 ILE 9 12.530 9.171 -26.008 44 HG23 ILE 9 3HG2 ILE 9 13.964 10.199 -25.773 45 HD11 ILE 9 1HD1 ILE 9 14.258 8.143 -29.385 46 HD12 ILE 9 2HD1 ILE 9 14.129 6.432 -28.913 47 HD13 ILE 9 3HD1 ILE 9 13.058 7.643 -28.169 48 H THR 10 H THR 10 15.465 10.841 -24.364 49 HA THR 10 HA THR 10 15.050 11.946 -22.444 50 HB THR 10 HB THR 10 12.579 11.830 -21.921 51 HG1 THR 10 1HG THR 10 12.629 9.761 -23.977 52 HG21 THR 10 1HG2 THR 10 11.861 11.760 -24.535 53 HG22 THR 10 2HG2 THR 10 12.715 13.159 -23.839 54 HG23 THR 10 3HG2 THR 10 13.621 11.926 -24.748 55 H ASP 11 H ASP 11 13.365 11.353 -20.222 56 HA ASP 11 HA ASP 11 14.524 8.944 -19.138 57 HB2 ASP 11 1HB ASP 11 14.673 11.560 -17.589 58 HB3 ASP 11 2HB ASP 11 15.439 10.036 -17.185 59 H GLU 12 H GLU 12 12.656 7.902 -18.419 60 HA GLU 12 HA GLU 12 10.652 9.600 -17.147 61 HB2 GLU 12 1HB GLU 12 8.939 8.035 -17.928 62 HB3 GLU 12 2HB GLU 12 9.882 8.599 -19.293 63 HG2 GLU 12 1HG GLU 12 11.132 6.224 -18.147 64 HG3 GLU 12 2HG GLU 12 9.444 5.899 -18.486 65 H ARG 13 H ARG 13 9.364 6.721 -16.610 66 HA ARG 13 HA ARG 13 9.095 5.726 -14.655 67 HB2 ARG 13 1HB ARG 13 11.246 4.669 -16.180 68 HB3 ARG 13 2HB ARG 13 11.818 4.626 -14.524 69 HG2 ARG 13 1HG ARG 13 10.003 3.245 -13.802 70 HG3 ARG 13 2HG ARG 13 9.037 3.615 -15.216 71 HD2 ARG 13 1HD ARG 13 9.924 1.854 -16.344 72 HD3 ARG 13 2HD ARG 13 11.548 2.464 -16.100 73 HE ARG 13 HE ARG 13 10.680 1.308 -13.641 74 HH11 ARG 13 2HH2 ARG 13 11.504 0.311 -16.914 75 HH12 ARG 13 1HH2 ARG 13 12.019 -1.273 -16.438 76 HH21 ARG 13 2HH1 ARG 13 11.359 -0.781 -13.013 77 HH22 ARG 13 1HH1 ARG 13 11.936 -1.899 -14.205 78 H VAL 14 H VAL 14 9.476 8.234 -13.809 79 HA VAL 14 HA VAL 14 11.291 7.911 -11.543 80 HB VAL 14 HB VAL 14 11.221 10.216 -13.490 81 HG11 VAL 14 1HG1 VAL 14 11.368 11.507 -11.626 82 HG12 VAL 14 2HG1 VAL 14 11.941 10.166 -10.605 83 HG13 VAL 14 3HG1 VAL 14 13.074 11.004 -11.693 84 HG21 VAL 14 1HG2 VAL 14 13.817 9.220 -12.585 85 HG22 VAL 14 2HG2 VAL 14 12.835 7.957 -13.367 86 HG23 VAL 14 3HG2 VAL 14 13.197 9.467 -14.236 87 H TYR 15 H TYR 15 8.289 7.750 -12.190 88 HA TYR 15 HA TYR 15 7.404 9.951 -10.457 89 HB2 TYR 15 1HB TYR 15 5.718 8.017 -12.132 90 HB3 TYR 15 2HB TYR 15 5.277 9.633 -11.617 91 HD1 TYR 15 2HD TYR 15 7.507 7.747 -13.928 92 HD2 TYR 15 1HD TYR 15 5.725 11.521 -12.986 93 HE1 TYR 15 2HE TYR 15 8.279 8.678 -16.164 94 HE2 TYR 15 1HE TYR 15 6.504 12.439 -15.226 95 HH TYR 15 HH TYR 15 8.420 10.420 -17.433 96 H GLU 16 H GLU 16 5.422 9.326 -9.059 97 HA GLU 16 HA GLU 16 6.240 7.054 -7.544 98 HB2 GLU 16 1HB GLU 16 3.728 8.627 -6.964 99 HB3 GLU 16 2HB GLU 16 4.854 7.895 -5.838 100 HG2 GLU 16 1HG GLU 16 5.705 10.002 -5.608 101 HG3 GLU 16 2HG GLU 16 6.509 9.689 -7.133 102 H SER 17 H SER 17 3.280 6.688 -6.662 103 HA SER 17 HA SER 17 2.793 4.403 -8.052 104 HB2 SER 17 1HB SER 17 0.463 4.579 -7.140 105 HB3 SER 17 2HB SER 17 1.699 4.874 -5.933 106 HG SER 17 HG SER 17 1.325 7.130 -6.085 107 H ILE 18 H ILE 18 1.973 3.930 -10.073 108 HA ILE 18 HA ILE 18 1.279 6.145 -11.767 109 HB ILE 18 HB ILE 18 1.469 3.173 -12.267 110 HG12 ILE 18 1HG1 ILE 18 3.609 4.174 -11.663 111 HG13 ILE 18 2HG1 ILE 18 3.589 3.704 -13.351 112 HG21 ILE 18 1HG2 ILE 18 1.612 4.003 -14.703 113 HG22 ILE 18 2HG2 ILE 18 0.012 3.910 -13.929 114 HG23 ILE 18 3HG2 ILE 18 0.832 5.481 -14.093 115 HD11 ILE 18 1HD1 ILE 18 3.175 6.525 -12.260 116 HD12 ILE 18 2HD1 ILE 18 4.594 5.926 -13.153 117 HD13 ILE 18 3HD1 ILE 18 3.023 6.079 -13.977 118 H GLY 19 H GLY 19 -0.448 3.117 -12.223 119 HA2 GLY 19 1HA GLY 19 -2.759 3.490 -10.784 120 HA3 GLY 19 2HA GLY 19 -2.961 4.475 -12.219 121 H HIS 20 H HIS 20 -1.821 3.105 -14.283 122 HA HIS 20 HA HIS 20 -3.631 0.910 -14.548 123 HB2 HIS 20 1HB HIS 20 -3.143 0.980 -16.821 124 HB3 HIS 20 2HB HIS 20 -3.020 2.654 -16.318 125 HD1 HIS 20 1HD HIS 20 -1.006 -0.190 -17.674 126 HD2 HIS 20 2HD HIS 20 -0.356 3.713 -16.283 127 HE1 HIS 20 1HE HIS 20 1.355 0.445 -18.404 128 H TYR 21 H TYR 21 -0.197 1.428 -13.839 129 HA TYR 21 HA TYR 21 1.526 -0.015 -13.695 130 HB2 TYR 21 1HB TYR 21 -0.883 -1.051 -12.134 131 HB3 TYR 21 2HB TYR 21 0.578 -2.019 -12.112 132 HD1 TYR 21 2HD TYR 21 -0.858 1.269 -11.183 133 HD2 TYR 21 1HD TYR 21 2.488 -1.371 -10.808 134 HE1 TYR 21 2HE TYR 21 0.078 2.709 -9.308 135 HE2 TYR 21 1HE TYR 21 3.412 0.078 -8.935 136 HH TYR 21 HH TYR 21 3.189 1.902 -7.797 137 H GLY 22 H GLY 22 1.738 -0.683 -15.932 138 HA2 GLY 22 1HA GLY 22 1.819 -2.182 -17.605 139 HA3 GLY 22 2HA GLY 22 1.859 -3.402 -16.348 140 H GLY 23 H GLY 23 0.602 -4.868 -17.672 141 HA2 GLY 23 1HA GLY 23 -2.065 -4.059 -18.478 142 HA3 GLY 23 2HA GLY 23 -1.279 -5.601 -18.756 143 H GLU 24 H GLU 24 -1.765 -3.785 -15.655 144 HA GLU 24 HA GLU 24 -3.470 -5.991 -14.813 145 HB2 GLU 24 1HB GLU 24 -0.892 -5.147 -13.698 146 HB3 GLU 24 2HB GLU 24 -2.157 -5.090 -12.487 147 HG2 GLU 24 1HG GLU 24 -2.382 -7.369 -12.428 148 HG3 GLU 24 2HG GLU 24 -2.289 -7.522 -14.172 149 H THR 25 H THR 25 -4.485 -5.243 -12.479 150 HA THR 25 HA THR 25 -5.231 -2.413 -12.709 151 HB THR 25 HB THR 25 -7.609 -3.490 -12.012 152 HG1 THR 25 1HG THR 25 -7.709 -5.575 -13.169 153 HG21 THR 25 1HG2 THR 25 -6.788 -2.282 -14.282 154 HG22 THR 25 2HG2 THR 25 -6.875 -3.947 -14.907 155 HG23 THR 25 3HG2 THR 25 -8.326 -3.176 -14.223 156 H VAL 26 H VAL 26 -4.976 -1.331 -10.860 157 HA VAL 26 HA VAL 26 -4.921 -2.953 -8.408 158 HB VAL 26 HB VAL 26 -3.394 -1.076 -7.593 159 HG11 VAL 26 1HG1 VAL 26 -2.772 -3.340 -9.403 160 HG12 VAL 26 2HG1 VAL 26 -1.469 -2.147 -9.184 161 HG13 VAL 26 3HG1 VAL 26 -2.168 -2.972 -7.770 162 HG21 VAL 26 1HG2 VAL 26 -4.019 0.105 -9.994 163 HG22 VAL 26 2HG2 VAL 26 -2.623 0.524 -8.973 164 HG23 VAL 26 3HG2 VAL 26 -2.423 -0.607 -10.333 165 H LYS 27 H LYS 27 -5.979 -2.105 -6.563 166 HA LYS 27 HA LYS 27 -7.843 0.057 -7.229 167 HB2 LYS 27 1HB LYS 27 -8.692 -2.274 -6.622 168 HB3 LYS 27 2HB LYS 27 -8.119 -1.964 -4.996 169 HG2 LYS 27 1HG LYS 27 -9.558 0.375 -5.730 170 HG3 LYS 27 2HG LYS 27 -10.525 -0.960 -6.325 171 HD2 LYS 27 1HD LYS 27 -10.416 -2.036 -4.058 172 HD3 LYS 27 2HD LYS 27 -9.479 -0.678 -3.468 173 HE2 LYS 27 1HE LYS 27 -12.359 -0.634 -4.468 174 HE3 LYS 27 2HE LYS 27 -11.796 -0.296 -2.844 175 HZ1 LYS 27 1HZ LYS 27 -11.529 1.349 -5.231 176 HZ2 LYS 27 2HZ LYS 27 -12.052 1.772 -3.743 177 HZ3 LYS 27 3HZ LYS 27 -10.459 1.532 -4.011 178 H ILE 28 H ILE 28 -7.362 2.024 -6.430 179 HA ILE 28 HA ILE 28 -5.442 2.184 -4.269 180 HB ILE 28 HB ILE 28 -6.737 4.280 -6.015 181 HG12 ILE 28 1HG1 ILE 28 -4.168 4.374 -6.702 182 HG13 ILE 28 2HG1 ILE 28 -4.198 2.703 -6.172 183 HG21 ILE 28 1HG2 ILE 28 -6.139 5.735 -4.437 184 HG22 ILE 28 2HG2 ILE 28 -5.206 4.513 -3.541 185 HG23 ILE 28 3HG2 ILE 28 -4.457 5.383 -4.901 186 HD11 ILE 28 1HD1 ILE 28 -5.258 2.067 -8.069 187 HD12 ILE 28 2HD1 ILE 28 -6.561 3.245 -7.781 188 HD13 ILE 28 3HD1 ILE 28 -5.096 3.737 -8.663 189 H VAL 29 H VAL 29 -5.899 2.709 -2.169 190 HA VAL 29 HA VAL 29 -8.619 3.629 -1.604 191 HB VAL 29 HB VAL 29 -8.061 1.983 0.511 192 HG11 VAL 29 1HG1 VAL 29 -9.911 2.115 -1.698 193 HG12 VAL 29 2HG1 VAL 29 -9.531 0.416 -1.327 194 HG13 VAL 29 3HG1 VAL 29 -10.161 1.486 -0.052 195 HG21 VAL 29 1HG2 VAL 29 -7.254 0.429 -1.965 196 HG22 VAL 29 2HG2 VAL 29 -6.090 1.090 -0.792 197 HG23 VAL 29 3HG2 VAL 29 -7.275 -0.134 -0.276 198 H ARG 30 H ARG 30 -8.490 5.518 -0.519 199 HA ARG 30 HA ARG 30 -5.995 6.055 0.835 200 HB2 ARG 30 1HB ARG 30 -8.333 7.943 0.254 201 HB3 ARG 30 2HB ARG 30 -6.748 8.419 0.831 202 HG2 ARG 30 1HG ARG 30 -5.694 7.926 -1.234 203 HG3 ARG 30 2HG ARG 30 -6.968 6.834 -1.741 204 HD2 ARG 30 1HD ARG 30 -8.424 9.139 -1.521 205 HD3 ARG 30 2HD ARG 30 -6.858 9.828 -1.898 206 HE ARG 30 HE ARG 30 -7.615 7.588 -3.642 207 HH11 ARG 30 2HH2 ARG 30 -7.766 11.071 -3.160 208 HH12 ARG 30 1HH2 ARG 30 -8.030 11.420 -4.836 209 HH21 ARG 30 2HH1 ARG 30 -7.964 8.048 -5.853 210 HH22 ARG 30 1HH1 ARG 30 -8.144 9.689 -6.378 211 H ILE 31 H ILE 31 -5.858 6.051 3.071 212 HA ILE 31 HA ILE 31 -8.407 6.103 4.532 213 HB ILE 31 HB ILE 31 -5.951 4.419 5.011 214 HG12 ILE 31 1HG1 ILE 31 -8.831 3.582 4.592 215 HG13 ILE 31 2HG1 ILE 31 -7.652 3.675 3.298 216 HG21 ILE 31 1HG2 ILE 31 -7.024 5.521 7.087 217 HG22 ILE 31 2HG2 ILE 31 -8.379 4.405 6.789 218 HG23 ILE 31 3HG2 ILE 31 -6.747 3.763 7.094 219 HD11 ILE 31 1HD1 ILE 31 -6.762 1.676 3.882 220 HD12 ILE 31 2HD1 ILE 31 -6.518 2.224 5.558 221 HD13 ILE 31 3HD1 ILE 31 -8.073 1.506 5.074 222 H GLU 32 H GLU 32 -8.487 7.358 6.422 223 HA GLU 32 HA GLU 32 -6.357 9.298 6.540 224 HB2 GLU 32 1HB GLU 32 -9.117 9.192 7.829 225 HB3 GLU 32 2HB GLU 32 -7.975 10.491 8.106 226 HG2 GLU 32 1HG GLU 32 -7.929 10.437 5.374 227 HG3 GLU 32 2HG GLU 32 -9.556 9.843 5.644 228 H LYS 33 H LYS 33 -4.641 8.821 7.845 229 HA LYS 33 HA LYS 33 -5.244 7.396 10.341 230 HB2 LYS 33 1HB LYS 33 -3.432 6.774 8.280 231 HB3 LYS 33 2HB LYS 33 -2.443 7.392 9.588 232 HG2 LYS 33 1HG LYS 33 -3.408 5.790 11.169 233 HG3 LYS 33 2HG LYS 33 -4.602 5.273 9.996 234 HD2 LYS 33 1HD LYS 33 -3.146 3.661 9.342 235 HD3 LYS 33 2HD LYS 33 -2.154 4.927 8.646 236 HE2 LYS 33 1HE LYS 33 -1.065 5.216 10.948 237 HE3 LYS 33 2HE LYS 33 -1.939 3.791 11.473 238 HZ1 LYS 33 1HZ LYS 33 -0.782 3.063 9.130 239 HZ2 LYS 33 2HZ LYS 33 0.370 3.958 9.862 240 HZ3 LYS 33 3HZ LYS 33 -0.264 2.661 10.625 241 H ALA 34 H ALA 34 -4.870 8.417 12.253 242 HA ALA 34 HA ALA 34 -4.119 11.168 12.153 243 HB1 ALA 34 1HB ALA 34 -5.844 10.028 13.679 244 HB2 ALA 34 2HB ALA 34 -4.455 9.429 14.617 245 HB3 ALA 34 3HB ALA 34 -4.730 11.180 14.453 246 H ARG 35 H ARG 35 -2.426 11.971 13.862 247 HA ARG 35 HA ARG 35 0.004 10.742 13.100 248 HB2 ARG 35 1HB ARG 35 -0.389 12.944 15.182 249 HB3 ARG 35 2HB ARG 35 1.068 12.610 14.267 250 HG2 ARG 35 1HG ARG 35 -0.403 13.051 12.143 251 HG3 ARG 35 2HG ARG 35 -1.555 13.766 13.253 252 HD2 ARG 35 1HD ARG 35 1.108 14.780 13.856 253 HD3 ARG 35 2HD ARG 35 0.787 14.983 12.145 254 HE ARG 35 HE ARG 35 -0.455 16.454 14.293 255 HH11 ARG 35 2HH2 ARG 35 -1.159 15.063 11.138 256 HH12 ARG 35 1HH2 ARG 35 -2.434 16.181 10.788 257 HH21 ARG 35 2HH1 ARG 35 -2.137 17.930 13.831 258 HH22 ARG 35 1HH1 ARG 35 -2.994 17.823 12.330 259 H ASP 36 H ASP 36 -2.257 9.811 15.311 260 HA ASP 36 HA ASP 36 -0.251 8.490 16.893 261 HB2 ASP 36 1HB ASP 36 -1.520 10.777 17.896 262 HB3 ASP 36 2HB ASP 36 -2.499 9.479 18.549 263 H ILE 37 H ILE 37 -2.064 7.615 14.794 264 HA ILE 37 HA ILE 37 -3.968 6.022 16.367 265 HB ILE 37 HB ILE 37 -4.273 7.538 13.835 266 HG12 ILE 37 1HG1 ILE 37 -5.300 7.861 16.290 267 HG13 ILE 37 2HG1 ILE 37 -6.129 8.363 14.829 268 HG21 ILE 37 1HG2 ILE 37 -4.588 5.435 12.851 269 HG22 ILE 37 2HG2 ILE 37 -5.420 4.785 14.284 270 HG23 ILE 37 3HG2 ILE 37 -6.229 5.992 13.256 271 HD11 ILE 37 1HD1 ILE 37 -6.496 5.584 16.021 272 HD12 ILE 37 2HD1 ILE 37 -7.510 6.971 16.487 273 HD13 ILE 37 3HD1 ILE 37 -7.511 6.393 14.803 274 HA PRO 38 HA PRO 38 -1.556 2.751 14.830 275 HB2 PRO 38 1HB PRO 38 -2.936 0.691 15.979 276 HB3 PRO 38 2HB PRO 38 -1.705 1.609 16.823 277 HG2 PRO 38 1HG PRO 38 -4.643 1.743 17.116 278 HG3 PRO 38 2HG PRO 38 -3.403 2.316 18.214 279 HD2 PRO 38 1HD PRO 38 -4.999 3.912 16.444 280 HD3 PRO 38 2HD PRO 38 -3.682 4.469 17.456 281 H LEU 39 H LEU 39 -1.509 1.069 13.268 282 HA LEU 39 HA LEU 39 -3.463 1.522 11.281 283 HB2 LEU 39 1HB LEU 39 -1.082 0.915 10.905 284 HB3 LEU 39 2HB LEU 39 -1.425 -0.696 11.505 285 HG LEU 39 HG LEU 39 -3.118 -0.943 9.649 286 HD11 LEU 39 1HD1 LEU 39 -1.778 1.465 8.412 287 HD12 LEU 39 2HD1 LEU 39 -3.198 0.561 7.834 288 HD13 LEU 39 3HD1 LEU 39 -3.318 1.566 9.299 289 HD21 LEU 39 1HD2 LEU 39 -0.718 -0.534 8.081 290 HD22 LEU 39 2HD2 LEU 39 -0.340 -1.276 9.654 291 HD23 LEU 39 3HD2 LEU 39 -1.522 -2.046 8.568 292 H GLY 40 H GLY 40 -2.720 -1.381 13.343 293 HA2 GLY 40 1HA GLY 40 -4.136 -2.887 14.261 294 HA3 GLY 40 2HA GLY 40 -5.500 -1.908 13.759 295 H ALA 41 H ALA 41 -2.889 -3.201 11.632 296 HA ALA 41 HA ALA 41 -4.736 -5.190 10.585 297 HB1 ALA 41 1HB ALA 41 -5.110 -3.062 9.304 298 HB2 ALA 41 2HB ALA 41 -3.398 -3.103 8.819 299 HB3 ALA 41 3HB ALA 41 -4.502 -4.400 8.301 300 H THR 42 H THR 42 -3.630 -7.076 10.487 301 HA THR 42 HA THR 42 -0.729 -6.968 10.576 302 HB THR 42 HB THR 42 -2.497 -9.447 10.579 303 HG1 THR 42 1HG THR 42 -1.795 -7.580 12.734 304 HG21 THR 42 1HG2 THR 42 0.124 -8.605 11.913 305 HG22 THR 42 2HG2 THR 42 -0.790 -10.051 12.407 306 HG23 THR 42 3HG2 THR 42 -0.119 -9.941 10.762 307 H VAL 43 H VAL 43 0.644 -8.180 9.131 308 HA VAL 43 HA VAL 43 -0.583 -8.925 6.605 309 HB VAL 43 HB VAL 43 0.736 -7.502 5.280 310 HG11 VAL 43 1HG1 VAL 43 -0.139 -5.732 7.581 311 HG12 VAL 43 2HG1 VAL 43 -0.043 -5.315 5.853 312 HG13 VAL 43 3HG1 VAL 43 -1.269 -6.474 6.423 313 HG21 VAL 43 1HG2 VAL 43 2.313 -5.805 6.483 314 HG22 VAL 43 2HG2 VAL 43 2.289 -6.991 7.809 315 HG23 VAL 43 3HG2 VAL 43 2.874 -7.470 6.198 316 H ARG 44 H ARG 44 0.616 -10.506 5.476 317 HA ARG 44 HA ARG 44 2.729 -11.626 7.110 318 HB2 ARG 44 1HB ARG 44 2.336 -13.706 5.722 319 HB3 ARG 44 2HB ARG 44 0.916 -13.187 6.608 320 HG2 ARG 44 1HG ARG 44 0.899 -11.817 4.072 321 HG3 ARG 44 2HG ARG 44 1.230 -13.508 3.753 322 HD2 ARG 44 1HD ARG 44 -0.784 -13.785 5.585 323 HD3 ARG 44 2HD ARG 44 -1.233 -12.237 4.898 324 HE ARG 44 HE ARG 44 -1.945 -13.380 3.001 325 HH11 ARG 44 2HH2 ARG 44 0.578 -15.280 4.553 326 HH12 ARG 44 1HH2 ARG 44 0.474 -16.583 3.417 327 HH21 ARG 44 2HH1 ARG 44 -2.084 -15.099 1.502 328 HH22 ARG 44 1HH1 ARG 44 -1.051 -16.479 1.669 329 H ASN 45 H ASN 45 4.599 -12.701 5.836 330 HA ASN 45 HA ASN 45 5.405 -10.817 3.803 331 HB2 ASN 45 1HB ASN 45 6.745 -12.450 5.845 332 HB3 ASN 45 2HB ASN 45 7.488 -12.707 4.278 333 HD21 ASN 45 1HD2 ASN 45 7.122 -10.279 3.056 334 HD22 ASN 45 2HD2 ASN 45 8.038 -9.045 3.855 335 H GLU 46 H GLU 46 4.502 -11.525 1.817 336 HA GLU 46 HA GLU 46 4.391 -14.316 1.253 337 HB2 GLU 46 1HB GLU 46 3.108 -11.933 0.310 338 HB3 GLU 46 2HB GLU 46 3.882 -12.675 -1.076 339 HG2 GLU 46 1HG GLU 46 1.907 -13.999 0.838 340 HG3 GLU 46 2HG GLU 46 1.626 -13.595 -0.844 341 H MET 47 H MET 47 5.249 -15.127 -0.966 342 HA MET 47 HA MET 47 7.728 -15.504 -1.146 343 HB2 MET 47 1HB MET 47 5.975 -14.461 -3.426 344 HB3 MET 47 2HB MET 47 7.585 -15.081 -3.734 345 HG2 MET 47 1HG MET 47 5.910 -16.856 -2.026 346 HG3 MET 47 2HG MET 47 5.285 -16.629 -3.647 347 HE1 MET 47 1HE MET 47 7.237 -16.477 -5.706 348 HE2 MET 47 2HE MET 47 7.857 -18.123 -5.975 349 HE3 MET 47 3HE MET 47 6.124 -17.865 -5.665 350 H ASP 48 H ASP 48 6.474 -12.396 -2.577 351 HA ASP 48 HA ASP 48 8.799 -11.072 -1.567 352 HB2 ASP 48 1HB ASP 48 8.189 -11.078 -4.560 353 HB3 ASP 48 2HB ASP 48 9.453 -10.148 -3.781 354 H SER 49 H SER 49 5.740 -11.134 -1.397 355 HA SER 49 HA SER 49 5.358 -8.326 -2.054 356 HB2 SER 49 1HB SER 49 3.524 -10.658 -2.693 357 HB3 SER 49 2HB SER 49 2.873 -9.043 -2.494 358 HG SER 49 HG SER 49 3.765 -9.972 -4.730 359 H VAL 50 H VAL 50 3.748 -7.237 -0.642 360 HA VAL 50 HA VAL 50 3.595 -8.593 1.948 361 HB VAL 50 HB VAL 50 3.386 -5.677 1.172 362 HG11 VAL 50 1HG1 VAL 50 2.518 -7.057 3.549 363 HG12 VAL 50 2HG1 VAL 50 3.869 -5.968 3.946 364 HG13 VAL 50 3HG1 VAL 50 2.413 -5.326 3.148 365 HG21 VAL 50 1HG2 VAL 50 5.657 -7.117 1.210 366 HG22 VAL 50 2HG2 VAL 50 5.583 -5.409 1.708 367 HG23 VAL 50 3HG2 VAL 50 5.557 -6.697 2.937 368 H ILE 51 H ILE 51 1.735 -9.790 2.026 369 HA ILE 51 HA ILE 51 -0.698 -8.467 1.058 370 HB ILE 51 HB ILE 51 0.081 -11.361 1.327 371 HG12 ILE 51 1HG1 ILE 51 -0.483 -11.428 -1.063 372 HG13 ILE 51 2HG1 ILE 51 -0.903 -9.727 -1.030 373 HG21 ILE 51 1HG2 ILE 51 -2.120 -11.300 2.227 374 HG22 ILE 51 2HG2 ILE 51 -2.681 -10.183 0.960 375 HG23 ILE 51 3HG2 ILE 51 -2.257 -11.861 0.544 376 HD11 ILE 51 1HD1 ILE 51 1.549 -10.562 -1.744 377 HD12 ILE 51 2HD1 ILE 51 1.307 -9.029 -0.871 378 HD13 ILE 51 3HD1 ILE 51 1.813 -10.487 0.015 379 H ILE 52 H ILE 52 -2.647 -8.650 2.383 380 HA ILE 52 HA ILE 52 -2.068 -8.145 5.101 381 HB ILE 52 HB ILE 52 -4.724 -8.640 3.752 382 HG12 ILE 52 1HG1 ILE 52 -3.431 -6.892 2.602 383 HG13 ILE 52 2HG1 ILE 52 -4.854 -6.251 3.398 384 HG21 ILE 52 1HG2 ILE 52 -4.071 -8.277 6.474 385 HG22 ILE 52 2HG2 ILE 52 -4.779 -6.744 5.911 386 HG23 ILE 52 3HG2 ILE 52 -5.681 -8.266 5.716 387 HD11 ILE 52 1HD1 ILE 52 -3.406 -4.716 4.274 388 HD12 ILE 52 2HD1 ILE 52 -2.980 -6.016 5.413 389 HD13 ILE 52 3HD1 ILE 52 -1.986 -5.743 3.962 390 H SER 53 H SER 53 -2.514 -9.386 6.968 391 HA SER 53 HA SER 53 -2.879 -12.213 6.353 392 HB2 SER 53 1HB SER 53 -1.039 -12.625 7.591 393 HB3 SER 53 2HB SER 53 -0.798 -10.898 7.765 394 HG SER 53 HG SER 53 -0.934 -11.739 9.853 395 H ARG 54 H ARG 54 -3.569 -9.531 8.676 396 HA ARG 54 HA ARG 54 -6.120 -10.715 9.161 397 HB2 ARG 54 1HB ARG 54 -4.793 -11.847 10.897 398 HB3 ARG 54 2HB ARG 54 -4.082 -10.329 11.408 399 HG2 ARG 54 1HG ARG 54 -6.212 -9.510 12.248 400 HG3 ARG 54 2HG ARG 54 -7.089 -10.828 11.496 401 HD2 ARG 54 1HD ARG 54 -5.183 -12.149 13.086 402 HD3 ARG 54 2HD ARG 54 -5.643 -10.774 14.070 403 HE ARG 54 HE ARG 54 -7.265 -13.079 13.554 404 HH11 ARG 54 2HH2 ARG 54 -7.537 -9.579 13.796 405 HH12 ARG 54 1HH2 ARG 54 -9.197 -9.614 14.289 406 HH21 ARG 54 2HH1 ARG 54 -9.455 -13.126 14.204 407 HH22 ARG 54 1HH1 ARG 54 -10.296 -11.646 14.522 408 H ILE 55 H ILE 55 -7.549 -9.170 10.453 409 HA ILE 55 HA ILE 55 -6.515 -6.427 10.253 410 HB ILE 55 HB ILE 55 -9.259 -7.487 9.575 411 HG12 ILE 55 1HG1 ILE 55 -7.770 -7.893 7.768 412 HG13 ILE 55 2HG1 ILE 55 -8.724 -6.487 7.339 413 HG21 ILE 55 1HG2 ILE 55 -10.135 -5.402 9.572 414 HG22 ILE 55 2HG2 ILE 55 -8.891 -5.132 10.816 415 HG23 ILE 55 3HG2 ILE 55 -8.593 -4.628 9.135 416 HD11 ILE 55 1HD1 ILE 55 -5.809 -6.692 7.950 417 HD12 ILE 55 2HD1 ILE 55 -6.664 -5.597 6.838 418 HD13 ILE 55 3HD1 ILE 55 -6.632 -5.246 8.583 419 H VAL 56 H VAL 56 -6.407 -5.394 12.169 420 HA VAL 56 HA VAL 56 -7.698 -6.638 14.440 421 HB VAL 56 HB VAL 56 -5.958 -4.173 14.356 422 HG11 VAL 56 1HG1 VAL 56 -6.180 -6.192 16.590 423 HG12 VAL 56 2HG1 VAL 56 -5.600 -4.510 16.649 424 HG13 VAL 56 3HG1 VAL 56 -7.335 -4.847 16.436 425 HG21 VAL 56 1HG2 VAL 56 -4.214 -5.415 13.736 426 HG22 VAL 56 2HG2 VAL 56 -4.442 -6.427 15.183 427 HG23 VAL 56 3HG2 VAL 56 -5.241 -6.866 13.654 428 H LYS 57 H LYS 57 -9.245 -5.607 15.793 429 HA LYS 57 HA LYS 57 -10.980 -3.849 14.350 430 HB2 LYS 57 1HB LYS 57 -12.106 -5.462 15.598 431 HB3 LYS 57 2HB LYS 57 -11.062 -5.280 16.992 432 HG2 LYS 57 1HG LYS 57 -13.164 -4.217 17.542 433 HG3 LYS 57 2HG LYS 57 -11.990 -2.937 17.312 434 HD2 LYS 57 1HD LYS 57 -13.463 -2.023 15.840 435 HD3 LYS 57 2HD LYS 57 -12.996 -3.297 14.731 436 HE2 LYS 57 1HE LYS 57 -14.864 -4.667 15.316 437 HE3 LYS 57 2HE LYS 57 -15.152 -3.800 16.811 438 HZ1 LYS 57 1HZ LYS 57 -15.366 -1.894 14.922 439 HZ2 LYS 57 2HZ LYS 57 -16.044 -3.187 14.190 440 HZ3 LYS 57 3HZ LYS 57 -16.618 -2.669 15.629 441 H GLY 58 H GLY 58 -11.577 -1.694 14.936 442 HA2 GLY 58 1HA GLY 58 -11.313 0.345 15.899 443 HA3 GLY 58 2HA GLY 58 -10.182 -0.336 17.051 444 H GLY 59 H GLY 59 -9.077 -1.467 14.123 445 HA2 GLY 59 1HA GLY 59 -6.916 0.432 14.060 446 HA3 GLY 59 2HA GLY 59 -7.128 -0.991 13.058 447 H ALA 60 H ALA 60 -6.354 1.824 12.314 448 HA ALA 60 HA ALA 60 -8.443 3.195 11.131 449 HB1 ALA 60 1HB ALA 60 -5.479 2.963 10.518 450 HB2 ALA 60 2HB ALA 60 -6.551 4.079 9.639 451 HB3 ALA 60 3HB ALA 60 -6.328 4.259 11.396 452 H ALA 61 H ALA 61 -6.726 0.248 10.161 453 HA ALA 61 HA ALA 61 -7.509 0.323 7.444 454 HB1 ALA 61 1HB ALA 61 -7.075 -2.324 8.668 455 HB2 ALA 61 2HB ALA 61 -6.212 -1.528 7.330 456 HB3 ALA 61 3HB ALA 61 -5.778 -1.155 9.015 457 H GLU 62 H GLU 62 -8.736 -1.536 10.320 458 HA GLU 62 HA GLU 62 -10.874 -2.632 8.948 459 HB2 GLU 62 1HB GLU 62 -10.269 -3.677 10.985 460 HB3 GLU 62 2HB GLU 62 -10.250 -2.166 11.873 461 HG2 GLU 62 1HG GLU 62 -12.582 -2.096 12.098 462 HG3 GLU 62 2HG GLU 62 -12.862 -3.017 10.633 463 H LYS 63 H LYS 63 -10.675 0.276 11.113 464 HA LYS 63 HA LYS 63 -13.234 1.054 11.219 465 HB2 LYS 63 1HB LYS 63 -10.759 2.748 10.796 466 HB3 LYS 63 2HB LYS 63 -12.328 3.419 11.193 467 HG2 LYS 63 1HG LYS 63 -11.767 1.210 12.995 468 HG3 LYS 63 2HG LYS 63 -10.392 2.297 12.985 469 HD2 LYS 63 1HD LYS 63 -11.847 4.220 13.509 470 HD3 LYS 63 2HD LYS 63 -13.278 3.217 13.378 471 HE2 LYS 63 1HE LYS 63 -11.187 2.239 15.286 472 HE3 LYS 63 2HE LYS 63 -11.993 3.725 15.745 473 HZ1 LYS 63 1HZ LYS 63 -14.100 2.594 15.443 474 HZ2 LYS 63 2HZ LYS 63 -13.337 1.207 15.045 475 HZ3 LYS 63 3HZ LYS 63 -13.179 1.824 16.549 476 H SER 64 H SER 64 -11.024 2.256 8.590 477 HA SER 64 HA SER 64 -13.157 3.179 7.067 478 HB2 SER 64 1HB SER 64 -11.447 3.389 5.250 479 HB3 SER 64 2HB SER 64 -10.913 4.075 6.771 480 HG SER 64 HG SER 64 -10.279 1.340 6.221 481 H GLY 65 H GLY 65 -11.387 0.069 7.219 482 HA2 GLY 65 1HA GLY 65 -11.971 -1.971 6.448 483 HA3 GLY 65 2HA GLY 65 -13.510 -1.320 5.918 484 H LEU 66 H LEU 66 -10.201 -0.205 4.980 485 HA LEU 66 HA LEU 66 -10.966 -0.686 2.204 486 HB2 LEU 66 1HB LEU 66 -8.625 0.901 3.249 487 HB3 LEU 66 2HB LEU 66 -9.273 0.890 1.621 488 HG LEU 66 HG LEU 66 -10.348 2.215 4.088 489 HD11 LEU 66 1HD1 LEU 66 -8.951 3.112 1.890 490 HD12 LEU 66 2HD1 LEU 66 -10.635 3.527 1.486 491 HD13 LEU 66 3HD1 LEU 66 -9.912 4.116 3.002 492 HD21 LEU 66 1HD2 LEU 66 -11.990 1.262 1.742 493 HD22 LEU 66 2HD2 LEU 66 -12.293 1.048 3.482 494 HD23 LEU 66 3HD2 LEU 66 -12.472 2.656 2.739 495 H LEU 67 H LEU 67 -9.109 -1.999 4.803 496 HA LEU 67 HA LEU 67 -7.399 -3.435 2.905 497 HB2 LEU 67 1HB LEU 67 -7.161 -2.900 5.863 498 HB3 LEU 67 2HB LEU 67 -6.155 -4.059 5.019 499 HG LEU 67 HG LEU 67 -4.911 -2.044 5.238 500 HD11 LEU 67 1HD1 LEU 67 -5.008 -3.308 2.967 501 HD12 LEU 67 2HD1 LEU 67 -5.830 -1.841 2.385 502 HD13 LEU 67 3HD1 LEU 67 -4.188 -1.732 3.062 503 HD21 LEU 67 1HD2 LEU 67 -5.685 0.066 5.073 504 HD22 LEU 67 2HD2 LEU 67 -6.724 -0.303 3.676 505 HD23 LEU 67 3HD2 LEU 67 -7.264 -0.718 5.320 506 H HIS 68 H HIS 68 -7.660 -5.601 2.560 507 HA HIS 68 HA HIS 68 -9.418 -7.010 4.415 508 HB2 HIS 68 1HB HIS 68 -9.645 -7.129 1.394 509 HB3 HIS 68 2HB HIS 68 -10.571 -8.086 2.534 510 HD1 HIS 68 1HD HIS 68 -11.118 -5.365 0.437 511 HD2 HIS 68 2HD HIS 68 -11.843 -5.960 4.525 512 HE1 HIS 68 1HE HIS 68 -12.911 -3.675 1.098 513 H GLU 69 H GLU 69 -8.792 -9.125 4.862 514 HA GLU 69 HA GLU 69 -6.177 -9.778 4.511 515 HB2 GLU 69 1HB GLU 69 -8.581 -11.594 4.976 516 HB3 GLU 69 2HB GLU 69 -6.920 -12.127 5.138 517 HG2 GLU 69 1HG GLU 69 -6.509 -10.437 6.900 518 HG3 GLU 69 2HG GLU 69 -8.123 -9.787 6.691 519 H GLY 70 H GLY 70 -5.030 -10.227 2.685 520 HA2 GLY 70 1HA GLY 70 -4.736 -11.933 0.964 521 HA3 GLY 70 2HA GLY 70 -6.423 -11.717 0.540 522 H ASP 71 H ASP 71 -5.458 -8.656 1.409 523 HA ASP 71 HA ASP 71 -5.292 -7.883 -1.318 524 HB2 ASP 71 1HB ASP 71 -5.335 -6.471 1.358 525 HB3 ASP 71 2HB ASP 71 -4.830 -5.568 -0.057 526 H GLU 72 H GLU 72 -3.382 -7.340 -2.440 527 HA GLU 72 HA GLU 72 -0.934 -7.669 -0.932 528 HB2 GLU 72 1HB GLU 72 -1.111 -9.038 -2.932 529 HB3 GLU 72 2HB GLU 72 -1.534 -7.653 -3.917 530 HG2 GLU 72 1HG GLU 72 0.674 -6.708 -3.736 531 HG3 GLU 72 2HG GLU 72 1.105 -7.764 -2.406 532 H VAL 73 H VAL 73 0.508 -5.999 -0.550 533 HA VAL 73 HA VAL 73 -0.349 -3.373 -1.510 534 HB VAL 73 HB VAL 73 1.682 -3.989 0.630 535 HG11 VAL 73 1HG1 VAL 73 1.147 -1.632 -0.548 536 HG12 VAL 73 2HG1 VAL 73 -0.111 -1.611 0.711 537 HG13 VAL 73 3HG1 VAL 73 1.601 -1.776 1.167 538 HG21 VAL 73 1HG2 VAL 73 -0.174 -3.694 2.275 539 HG22 VAL 73 2HG2 VAL 73 -1.331 -3.755 0.923 540 HG23 VAL 73 3HG2 VAL 73 -0.317 -5.171 1.293 541 H LEU 74 H LEU 74 0.902 -2.151 -2.881 542 HA LEU 74 HA LEU 74 3.505 -3.316 -3.588 543 HB2 LEU 74 1HB LEU 74 1.694 -1.829 -5.481 544 HB3 LEU 74 2HB LEU 74 3.152 -2.725 -5.858 545 HG LEU 74 HG LEU 74 0.542 -3.922 -4.888 546 HD11 LEU 74 1HD1 LEU 74 0.722 -2.940 -7.275 547 HD12 LEU 74 2HD1 LEU 74 1.759 -4.348 -7.606 548 HD13 LEU 74 3HD1 LEU 74 0.080 -4.587 -7.065 549 HD21 LEU 74 1HD2 LEU 74 1.632 -6.099 -5.499 550 HD22 LEU 74 2HD2 LEU 74 3.174 -5.218 -5.630 551 HD23 LEU 74 3HD2 LEU 74 2.318 -5.287 -4.071 552 H GLU 75 H GLU 75 1.498 -0.293 -3.553 553 HA GLU 75 HA GLU 75 3.907 1.073 -2.684 554 HB2 GLU 75 1HB GLU 75 2.672 1.395 -5.258 555 HB3 GLU 75 2HB GLU 75 2.371 2.863 -4.349 556 HG2 GLU 75 1HG GLU 75 4.801 3.061 -3.833 557 HG3 GLU 75 2HG GLU 75 5.118 1.570 -4.697 558 H ILE 76 H ILE 76 3.480 3.038 -1.419 559 HA ILE 76 HA ILE 76 0.688 3.416 -0.672 560 HB ILE 76 HB ILE 76 2.918 2.615 1.179 561 HG12 ILE 76 1HG1 ILE 76 0.083 1.618 0.769 562 HG13 ILE 76 2HG1 ILE 76 1.553 0.814 0.255 563 HG21 ILE 76 1HG2 ILE 76 2.235 4.095 2.688 564 HG22 ILE 76 2HG2 ILE 76 0.868 4.605 1.669 565 HG23 ILE 76 3HG2 ILE 76 0.692 3.210 2.760 566 HD11 ILE 76 1HD1 ILE 76 0.254 0.598 2.779 567 HD12 ILE 76 2HD1 ILE 76 1.808 -0.124 2.298 568 HD13 ILE 76 3HD1 ILE 76 1.774 1.477 3.074 569 H ASN 77 H ASN 77 0.441 5.474 -1.422 570 HA ASN 77 HA ASN 77 0.630 7.637 -1.464 571 HB2 ASN 77 1HB ASN 77 1.958 6.975 1.037 572 HB3 ASN 77 2HB ASN 77 2.836 8.288 0.278 573 HD21 ASN 77 1HD2 ASN 77 1.695 8.867 2.566 574 HD22 ASN 77 2HD2 ASN 77 0.272 9.838 2.397 575 H GLY 78 H GLY 78 2.665 5.520 -2.692 576 HA2 GLY 78 1HA GLY 78 3.935 6.215 -4.628 577 HA3 GLY 78 2HA GLY 78 4.596 7.531 -3.678 578 H ILE 79 H ILE 79 4.794 5.745 -1.205 579 HA ILE 79 HA ILE 79 7.432 4.837 -1.719 580 HB ILE 79 HB ILE 79 5.594 4.536 0.657 581 HG12 ILE 79 1HG1 ILE 79 7.788 6.238 1.192 582 HG13 ILE 79 2HG1 ILE 79 7.168 6.729 -0.372 583 HG21 ILE 79 1HG2 ILE 79 8.381 4.329 1.315 584 HG22 ILE 79 2HG2 ILE 79 7.057 3.179 1.622 585 HG23 ILE 79 3HG2 ILE 79 7.964 3.105 0.092 586 HD11 ILE 79 1HD1 ILE 79 5.507 6.391 2.168 587 HD12 ILE 79 2HD1 ILE 79 5.996 7.937 1.433 588 HD13 ILE 79 3HD1 ILE 79 4.862 6.864 0.577 589 H GLU 80 H GLU 80 8.203 2.814 -2.197 590 HA GLU 80 HA GLU 80 6.342 0.976 -3.207 591 HB2 GLU 80 1HB GLU 80 9.290 1.229 -3.009 592 HB3 GLU 80 2HB GLU 80 8.724 -0.429 -2.996 593 HG2 GLU 80 1HG GLU 80 7.882 -0.317 -5.160 594 HG3 GLU 80 2HG GLU 80 7.460 1.379 -5.028 595 H ILE 81 H ILE 81 6.149 -1.349 -2.512 596 HA ILE 81 HA ILE 81 6.669 -1.699 0.346 597 HB ILE 81 HB ILE 81 4.032 -2.145 -1.054 598 HG12 ILE 81 1HG1 ILE 81 4.821 0.203 -0.191 599 HG13 ILE 81 2HG1 ILE 81 3.185 -0.354 0.098 600 HG21 ILE 81 1HG2 ILE 81 4.029 -3.955 0.341 601 HG22 ILE 81 2HG2 ILE 81 5.124 -3.196 1.521 602 HG23 ILE 81 3HG2 ILE 81 3.413 -2.710 1.454 603 HD11 ILE 81 1HD1 ILE 81 5.400 -0.884 2.112 604 HD12 ILE 81 2HD1 ILE 81 4.476 0.637 2.115 605 HD13 ILE 81 3HD1 ILE 81 3.640 -0.913 2.373 606 H ARG 82 H ARG 82 5.706 -3.166 -2.815 607 HA ARG 82 HA ARG 82 5.893 -5.740 -2.314 608 HB2 ARG 82 1HB ARG 82 5.753 -4.358 -4.589 609 HB3 ARG 82 2HB ARG 82 7.473 -4.682 -4.680 610 HG2 ARG 82 1HG ARG 82 6.764 -7.187 -4.181 611 HG3 ARG 82 2HG ARG 82 5.175 -6.660 -4.701 612 HD2 ARG 82 1HD ARG 82 6.784 -5.599 -6.700 613 HD3 ARG 82 2HD ARG 82 7.648 -7.072 -6.306 614 HE ARG 82 HE ARG 82 5.805 -8.365 -7.062 615 HH11 ARG 82 2HH2 ARG 82 5.024 -4.934 -7.065 616 HH12 ARG 82 1HH2 ARG 82 3.586 -5.132 -8.011 617 HH21 ARG 82 2HH1 ARG 82 3.909 -8.627 -8.310 618 HH22 ARG 82 1HH1 ARG 82 2.948 -7.246 -8.724 619 H GLY 83 H GLY 83 7.381 -7.104 -1.368 620 HA2 GLY 83 1HA GLY 83 9.486 -8.064 -1.174 621 HA3 GLY 83 2HA GLY 83 10.232 -6.604 -1.793 622 H LYS 84 H LYS 84 8.915 -4.650 -0.124 623 HA LYS 84 HA LYS 84 10.590 -4.495 1.999 624 HB2 LYS 84 1HB LYS 84 7.746 -3.450 1.848 625 HB3 LYS 84 2HB LYS 84 8.989 -2.882 2.944 626 HG2 LYS 84 1HG LYS 84 10.337 -2.664 0.569 627 HG3 LYS 84 2HG LYS 84 8.697 -2.422 0.000 628 HD2 LYS 84 1HD LYS 84 8.361 -0.596 1.645 629 HD3 LYS 84 2HD LYS 84 9.958 -0.872 2.312 630 HE2 LYS 84 1HE LYS 84 9.536 -0.187 -0.629 631 HE3 LYS 84 2HE LYS 84 9.723 1.053 0.595 632 HZ1 LYS 84 1HZ LYS 84 11.857 0.708 -0.039 633 HZ2 LYS 84 2HZ LYS 84 11.791 -0.353 1.201 634 HZ3 LYS 84 3HZ LYS 84 11.669 -0.886 -0.338 635 H ASP 85 H ASP 85 10.317 -4.827 4.331 636 HA ASP 85 HA ASP 85 9.070 -7.369 4.767 637 HB2 ASP 85 1HB ASP 85 11.327 -6.940 5.668 638 HB3 ASP 85 2HB ASP 85 10.745 -5.541 6.549 639 H VAL 86 H VAL 86 7.682 -7.661 6.817 640 HA VAL 86 HA VAL 86 5.512 -5.972 6.818 641 HB VAL 86 HB VAL 86 4.926 -7.103 8.939 642 HG11 VAL 86 1HG1 VAL 86 4.807 -8.109 6.505 643 HG12 VAL 86 2HG1 VAL 86 6.028 -9.238 7.139 644 HG13 VAL 86 3HG1 VAL 86 4.435 -9.116 7.924 645 HG21 VAL 86 1HG2 VAL 86 6.969 -7.323 10.102 646 HG22 VAL 86 2HG2 VAL 86 6.515 -8.984 9.650 647 HG23 VAL 86 3HG2 VAL 86 7.767 -8.121 8.725 648 H ASN 87 H ASN 87 8.330 -6.068 9.099 649 HA ASN 87 HA ASN 87 7.487 -4.073 10.748 650 HB2 ASN 87 1HB ASN 87 9.849 -5.585 10.351 651 HB3 ASN 87 2HB ASN 87 10.384 -3.923 10.195 652 HD21 ASN 87 1HD2 ASN 87 8.806 -6.276 12.254 653 HD22 ASN 87 2HD2 ASN 87 9.024 -5.463 13.767 654 H GLU 88 H GLU 88 9.471 -3.937 7.706 655 HA GLU 88 HA GLU 88 10.026 -1.266 7.723 656 HB2 GLU 88 1HB GLU 88 10.199 -3.465 5.878 657 HB3 GLU 88 2HB GLU 88 9.521 -2.103 5.008 658 HG2 GLU 88 1HG GLU 88 11.558 -0.902 6.489 659 HG3 GLU 88 2HG GLU 88 12.250 -2.466 6.107 660 H VAL 89 H VAL 89 7.183 -2.988 6.267 661 HA VAL 89 HA VAL 89 5.964 -0.714 5.223 662 HB VAL 89 HB VAL 89 5.064 -3.454 6.043 663 HG11 VAL 89 1HG1 VAL 89 2.890 -2.568 4.687 664 HG12 VAL 89 2HG1 VAL 89 3.009 -2.594 6.463 665 HG13 VAL 89 3HG1 VAL 89 3.336 -1.089 5.571 666 HG21 VAL 89 1HG2 VAL 89 6.270 -2.467 3.778 667 HG22 VAL 89 2HG2 VAL 89 5.314 -3.966 3.866 668 HG23 VAL 89 3HG2 VAL 89 4.550 -2.453 3.322 669 H PHE 90 H PHE 90 5.354 -2.463 8.353 670 HA PHE 90 HA PHE 90 3.450 -0.779 9.347 671 HB2 PHE 90 1HB PHE 90 5.811 -2.242 10.670 672 HB3 PHE 90 2HB PHE 90 4.474 -1.583 11.591 673 HD1 PHE 90 2HD PHE 90 2.232 -2.324 9.702 674 HD2 PHE 90 1HD PHE 90 5.566 -4.536 11.117 675 HE1 PHE 90 2HE PHE 90 0.954 -4.459 9.375 676 HE2 PHE 90 1HE PHE 90 4.288 -6.671 10.790 677 HZ PHE 90 HZ PHE 90 1.997 -6.608 9.922 678 H ASP 91 H ASP 91 7.046 -0.565 9.856 679 HA ASP 91 HA ASP 91 7.012 1.659 11.420 680 HB2 ASP 91 1HB ASP 91 8.945 0.054 10.367 681 HB3 ASP 91 2HB ASP 91 9.166 1.453 9.335 682 H LEU 92 H LEU 92 7.216 1.329 7.807 683 HA LEU 92 HA LEU 92 7.598 3.908 7.071 684 HB2 LEU 92 1HB LEU 92 6.253 1.547 5.894 685 HB3 LEU 92 2HB LEU 92 5.867 3.095 5.168 686 HG LEU 92 HG LEU 92 8.752 2.656 5.587 687 HD11 LEU 92 1HD1 LEU 92 8.481 1.217 3.283 688 HD12 LEU 92 2HD1 LEU 92 8.773 0.524 4.897 689 HD13 LEU 92 3HD1 LEU 92 7.117 0.606 4.250 690 HD21 LEU 92 1HD2 LEU 92 6.927 3.817 3.527 691 HD22 LEU 92 2HD2 LEU 92 8.369 4.509 4.309 692 HD23 LEU 92 3HD2 LEU 92 8.551 3.291 3.024 693 H LEU 93 H LEU 93 4.274 2.442 7.143 694 HA LEU 93 HA LEU 93 2.894 4.783 7.008 695 HB2 LEU 93 1HB LEU 93 2.169 2.253 8.491 696 HB3 LEU 93 2HB LEU 93 1.046 3.536 8.088 697 HG LEU 93 HG LEU 93 2.587 1.873 6.076 698 HD11 LEU 93 1HD1 LEU 93 0.834 0.649 7.412 699 HD12 LEU 93 2HD1 LEU 93 -0.371 1.743 6.692 700 HD13 LEU 93 3HD1 LEU 93 0.588 0.665 5.649 701 HD21 LEU 93 1HD2 LEU 93 1.292 4.394 5.802 702 HD22 LEU 93 2HD2 LEU 93 2.032 3.375 4.544 703 HD23 LEU 93 3HD2 LEU 93 0.311 3.175 4.954 704 H SER 94 H SER 94 4.009 3.067 10.003 705 HA SER 94 HA SER 94 2.974 4.571 11.900 706 HB2 SER 94 1HB SER 94 5.125 2.800 11.709 707 HB3 SER 94 2HB SER 94 5.879 4.252 12.336 708 HG SER 94 HG SER 94 3.906 4.216 13.893 709 H ASP 95 H ASP 95 6.109 5.392 10.232 710 HA ASP 95 HA ASP 95 6.445 7.815 11.468 711 HB2 ASP 95 1HB ASP 95 7.490 6.409 9.089 712 HB3 ASP 95 2HB ASP 95 7.495 8.149 8.881 713 H MET 96 H MET 96 4.654 6.828 8.499 714 HA MET 96 HA MET 96 4.081 9.490 7.731 715 HB2 MET 96 1HB MET 96 2.729 6.850 6.937 716 HB3 MET 96 2HB MET 96 2.610 8.357 6.050 717 HG2 MET 96 1HG MET 96 5.341 8.103 6.176 718 HG3 MET 96 2HG MET 96 4.882 6.412 6.191 719 HE1 MET 96 1HE MET 96 2.552 6.000 4.969 720 HE2 MET 96 2HE MET 96 2.269 6.459 3.273 721 HE3 MET 96 3HE MET 96 3.520 5.258 3.673 722 H HIS 97 H HIS 97 1.769 10.313 7.481 723 HA HIS 97 HA HIS 97 -0.207 9.170 9.170 724 HB2 HIS 97 1HB HIS 97 -0.282 11.502 10.468 725 HB3 HIS 97 2HB HIS 97 0.587 10.103 11.067 726 HD1 HIS 97 1HD HIS 97 1.642 12.712 8.451 727 HD2 HIS 97 2HD HIS 97 2.892 11.111 12.121 728 HE1 HIS 97 1HE HIS 97 3.889 13.800 8.977 729 H GLY 98 H GLY 98 -2.292 10.223 8.882 730 HA2 GLY 98 1HA GLY 98 -3.636 11.911 7.949 731 HA3 GLY 98 2HA GLY 98 -2.340 12.353 6.856 732 H THR 99 H THR 99 -4.259 12.183 5.278 733 HA THR 99 HA THR 99 -5.315 9.631 4.671 734 HB THR 99 HB THR 99 -5.084 12.110 2.890 735 HG1 THR 99 1HG THR 99 -7.019 12.714 4.097 736 HG21 THR 99 1HG2 THR 99 -7.539 10.384 3.160 737 HG22 THR 99 2HG2 THR 99 -6.936 11.271 1.739 738 HG23 THR 99 3HG2 THR 99 -6.188 9.725 2.206 739 H LEU 100 H LEU 100 -3.853 8.006 4.347 740 HA LEU 100 HA LEU 100 -1.725 8.517 2.421 741 HB2 LEU 100 1HB LEU 100 -2.079 5.959 3.932 742 HB3 LEU 100 2HB LEU 100 -0.615 6.695 3.310 743 HG LEU 100 HG LEU 100 -1.523 8.552 5.173 744 HD11 LEU 100 1HD1 LEU 100 -1.767 7.101 7.245 745 HD12 LEU 100 2HD1 LEU 100 -3.168 7.171 6.149 746 HD13 LEU 100 3HD1 LEU 100 -2.099 5.748 6.138 747 HD21 LEU 100 1HD2 LEU 100 0.677 8.380 5.457 748 HD22 LEU 100 2HD2 LEU 100 0.346 6.995 6.525 749 HD23 LEU 100 3HD2 LEU 100 0.709 6.725 4.803 750 H THR 101 H THR 101 -1.587 7.493 0.428 751 HA THR 101 HA THR 101 -4.070 6.213 -0.431 752 HB THR 101 HB THR 101 -1.664 7.426 -1.886 753 HG1 THR 101 1HG THR 101 -3.134 8.978 -1.030 754 HG21 THR 101 1HG2 THR 101 -2.404 6.421 -3.798 755 HG22 THR 101 2HG2 THR 101 -3.639 5.542 -2.864 756 HG23 THR 101 3HG2 THR 101 -4.007 7.149 -3.536 757 H PHE 102 H PHE 102 -4.186 4.082 -0.049 758 HA PHE 102 HA PHE 102 -1.738 2.533 -0.229 759 HB2 PHE 102 1HB PHE 102 -4.648 2.070 0.632 760 HB3 PHE 102 2HB PHE 102 -3.515 0.737 0.535 761 HD1 PHE 102 2HD PHE 102 -4.093 4.000 2.202 762 HD2 PHE 102 1HD PHE 102 -2.044 0.286 2.309 763 HE1 PHE 102 2HE PHE 102 -3.302 4.503 4.531 764 HE2 PHE 102 1HE PHE 102 -1.254 0.788 4.637 765 HZ PHE 102 HZ PHE 102 -1.892 2.891 5.721 766 H VAL 103 H VAL 103 -1.148 1.606 -2.127 767 HA VAL 103 HA VAL 103 -3.269 1.112 -4.084 768 HB VAL 103 HB VAL 103 -0.286 1.127 -4.533 769 HG11 VAL 103 1HG1 VAL 103 -2.422 0.381 -6.165 770 HG12 VAL 103 2HG1 VAL 103 -2.014 2.027 -6.704 771 HG13 VAL 103 3HG1 VAL 103 -0.764 0.760 -6.688 772 HG21 VAL 103 1HG2 VAL 103 -0.347 3.311 -3.979 773 HG22 VAL 103 2HG2 VAL 103 -1.152 3.516 -5.554 774 HG23 VAL 103 3HG2 VAL 103 -2.123 3.389 -4.067 775 H LEU 104 H LEU 104 -4.121 -0.870 -3.423 776 HA LEU 104 HA LEU 104 -2.238 -3.095 -3.667 777 HB2 LEU 104 1HB LEU 104 -3.780 -4.129 -1.795 778 HB3 LEU 104 2HB LEU 104 -2.329 -3.219 -1.426 779 HG LEU 104 HG LEU 104 -4.273 -1.249 -1.493 780 HD11 LEU 104 1HD1 LEU 104 -6.134 -2.031 -0.139 781 HD12 LEU 104 2HD1 LEU 104 -6.041 -2.951 -1.660 782 HD13 LEU 104 3HD1 LEU 104 -5.471 -3.683 -0.141 783 HD21 LEU 104 1HD2 LEU 104 -3.289 -2.802 0.917 784 HD22 LEU 104 2HD2 LEU 104 -2.429 -1.467 0.112 785 HD23 LEU 104 3HD2 LEU 104 -3.984 -1.163 0.923 786 H ILE 105 H ILE 105 -3.392 -5.187 -4.147 787 HA ILE 105 HA ILE 105 -5.756 -4.578 -5.773 788 HB ILE 105 HB ILE 105 -3.911 -6.942 -6.057 789 HG12 ILE 105 1HG1 ILE 105 -3.733 -4.332 -7.588 790 HG13 ILE 105 2HG1 ILE 105 -2.671 -4.765 -6.263 791 HG21 ILE 105 1HG2 ILE 105 -6.311 -6.838 -7.041 792 HG22 ILE 105 2HG2 ILE 105 -5.601 -5.702 -8.212 793 HG23 ILE 105 3HG2 ILE 105 -4.962 -7.358 -8.079 794 HD11 ILE 105 1HD1 ILE 105 -2.919 -6.908 -8.290 795 HD12 ILE 105 2HD1 ILE 105 -2.232 -5.395 -8.928 796 HD13 ILE 105 3HD1 ILE 105 -1.460 -6.210 -7.547 797 HA PRO 106 HA PRO 106 -7.884 -6.974 -2.824 798 HB2 PRO 106 1HB PRO 106 -10.390 -6.693 -3.878 799 HB3 PRO 106 2HB PRO 106 -9.665 -5.515 -2.802 800 HG2 PRO 106 1HG PRO 106 -10.060 -5.358 -5.728 801 HG3 PRO 106 2HG PRO 106 -9.741 -4.062 -4.592 802 HD2 PRO 106 1HD PRO 106 -7.867 -5.251 -6.408 803 HD3 PRO 106 2HD PRO 106 -7.522 -4.037 -5.193 804 H SER 107 H SER 107 -7.640 -9.103 -2.649 805 HA SER 107 HA SER 107 -7.724 -10.607 -5.038 806 HB2 SER 107 1HB SER 107 -6.190 -11.439 -3.469 807 HB3 SER 107 2HB SER 107 -7.274 -11.192 -2.114 808 HG SER 107 HG SER 107 -6.952 -13.422 -3.718 809 H SER 108 H SER 108 -10.101 -9.620 -5.333 810 HA SER 108 HA SER 108 -12.287 -9.815 -5.187 811 HB2 SER 108 1HB SER 108 -11.555 -12.767 -5.438 812 HB3 SER 108 2HB SER 108 -13.116 -12.080 -5.842 813 HG SER 108 HG SER 108 -12.349 -11.446 -7.735 814 H GLY 109 H GLY 109 -11.004 -9.764 -2.547 815 HA2 GLY 109 1HA GLY 109 -11.361 -10.294 -0.377 816 HA3 GLY 109 2HA GLY 109 -13.049 -10.161 -0.832 817 HA PRO 110 HA PRO 110 -13.133 -14.373 0.390 818 HB2 PRO 110 1HB PRO 110 -15.848 -14.678 0.386 819 HB3 PRO 110 2HB PRO 110 -14.957 -14.043 1.755 820 HG2 PRO 110 1HG PRO 110 -16.633 -12.592 -0.200 821 HG3 PRO 110 2HG PRO 110 -16.094 -12.071 1.383 822 HD2 PRO 110 1HD PRO 110 -15.035 -11.239 -1.149 823 HD3 PRO 110 2HD PRO 110 -14.422 -10.809 0.435 824 H SER 111 H SER 111 -11.992 -15.084 -1.479 825 HA SER 111 HA SER 111 -12.964 -15.272 -3.936 826 HB2 SER 111 1HB SER 111 -11.556 -17.304 -4.228 827 HB3 SER 111 2HB SER 111 -10.728 -16.054 -3.323 828 HG SER 111 HG SER 111 -11.103 -17.180 -1.378 829 H SER 112 H SER 112 -13.683 -17.525 -1.199 830 HA SER 112 HA SER 112 -15.660 -18.797 -2.907 831 HB2 SER 112 1HB SER 112 -13.788 -20.019 -1.434 832 HB3 SER 112 2HB SER 112 -14.967 -19.814 -0.154 833 HG SER 112 HG SER 112 -16.451 -20.740 -2.084 834 H GLY 113 H GLY 113 -17.803 -18.289 -2.616 835 HA2 GLY 113 1HA GLY 113 -19.695 -18.005 -1.269 836 HA3 GLY 113 2HA GLY 113 -18.691 -17.428 0.046 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 28.626 -9.299 -25.140 2 HA2 GLY 1 1HA GLY 1 27.306 -8.465 -27.176 3 HA3 GLY 1 2HA GLY 1 26.003 -9.405 -26.477 4 H SER 2 H SER 2 27.596 -6.369 -26.501 5 HA SER 2 HA SER 2 26.061 -5.612 -24.145 6 HB2 SER 2 1HB SER 2 28.852 -4.618 -24.877 7 HB3 SER 2 2HB SER 2 27.880 -3.989 -23.561 8 HG SER 2 HG SER 2 27.898 -6.155 -22.611 9 H SER 3 H SER 3 24.674 -3.907 -24.538 10 HA SER 3 HA SER 3 25.394 -1.914 -26.427 11 HB2 SER 3 1HB SER 3 24.196 -4.066 -27.590 12 HB3 SER 3 2HB SER 3 22.765 -3.175 -27.113 13 HG SER 3 HG SER 3 23.738 -1.275 -28.221 14 H GLY 4 H GLY 4 24.814 -0.098 -25.297 15 HA2 GLY 4 1HA GLY 4 22.127 0.003 -24.125 16 HA3 GLY 4 2HA GLY 4 23.502 0.276 -23.074 17 H SER 5 H SER 5 21.970 2.398 -23.070 18 HA SER 5 HA SER 5 22.734 4.119 -25.259 19 HB2 SER 5 1HB SER 5 20.761 4.389 -22.961 20 HB3 SER 5 2HB SER 5 21.173 5.755 -23.979 21 HG SER 5 HG SER 5 20.598 3.593 -25.566 22 H SER 6 H SER 6 22.609 4.300 -21.618 23 HA SER 6 HA SER 6 23.851 5.332 -20.167 24 HB2 SER 6 1HB SER 6 25.584 3.761 -20.827 25 HB3 SER 6 2HB SER 6 26.020 4.731 -22.219 26 HG SER 6 HG SER 6 26.882 4.943 -19.608 27 H GLY 7 H GLY 7 23.154 7.456 -19.978 28 HA2 GLY 7 1HA GLY 7 24.717 9.585 -20.762 29 HA3 GLY 7 2HA GLY 7 23.534 9.389 -22.040 30 HA PRO 8 HA PRO 8 21.709 11.469 -18.270 31 HB2 PRO 8 1HB PRO 8 22.244 14.118 -18.675 32 HB3 PRO 8 2HB PRO 8 23.181 13.106 -17.595 33 HG2 PRO 8 1HG PRO 8 23.895 14.104 -20.284 34 HG3 PRO 8 2HG PRO 8 24.946 13.467 -19.035 35 HD2 PRO 8 1HD PRO 8 24.074 12.104 -21.403 36 HD3 PRO 8 2HD PRO 8 25.029 11.430 -20.098 37 H ILE 9 H ILE 9 20.038 10.458 -19.667 38 HA ILE 9 HA ILE 9 18.719 12.591 -21.195 39 HB ILE 9 HB ILE 9 18.571 9.589 -21.489 40 HG12 ILE 9 1HG1 ILE 9 19.690 11.638 -23.417 41 HG13 ILE 9 2HG1 ILE 9 20.677 10.751 -22.273 42 HG21 ILE 9 1HG2 ILE 9 16.477 10.112 -22.190 43 HG22 ILE 9 2HG2 ILE 9 16.900 11.797 -22.577 44 HG23 ILE 9 3HG2 ILE 9 17.356 10.487 -23.692 45 HD11 ILE 9 1HD1 ILE 9 20.653 8.884 -23.563 46 HD12 ILE 9 2HD1 ILE 9 18.882 8.949 -23.737 47 HD13 ILE 9 3HD1 ILE 9 19.920 9.888 -24.837 48 H THR 10 H THR 10 16.496 12.998 -20.853 49 HA THR 10 HA THR 10 15.615 12.757 -18.230 50 HB THR 10 HB THR 10 13.362 13.379 -19.425 51 HG1 THR 10 1HG THR 10 14.023 12.404 -21.473 52 HG21 THR 10 1HG2 THR 10 14.265 15.429 -18.898 53 HG22 THR 10 2HG2 THR 10 15.914 14.891 -19.294 54 HG23 THR 10 3HG2 THR 10 14.827 15.452 -20.587 55 H ASP 11 H ASP 11 14.879 11.117 -17.047 56 HA ASP 11 HA ASP 11 14.037 8.766 -18.518 57 HB2 ASP 11 1HB ASP 11 14.500 8.974 -15.518 58 HB3 ASP 11 2HB ASP 11 14.489 7.522 -16.497 59 H GLU 12 H GLU 12 11.798 8.894 -18.887 60 HA GLU 12 HA GLU 12 10.186 9.903 -16.684 61 HB2 GLU 12 1HB GLU 12 10.164 10.561 -19.391 62 HB3 GLU 12 2HB GLU 12 8.826 9.435 -19.269 63 HG2 GLU 12 1HG GLU 12 7.861 10.767 -17.393 64 HG3 GLU 12 2HG GLU 12 9.210 11.882 -17.478 65 H ARG 13 H ARG 13 10.703 7.669 -15.696 66 HA ARG 13 HA ARG 13 8.517 5.951 -16.437 67 HB2 ARG 13 1HB ARG 13 10.243 3.956 -16.071 68 HB3 ARG 13 2HB ARG 13 10.103 4.717 -17.643 69 HG2 ARG 13 1HG ARG 13 11.988 6.331 -16.830 70 HG3 ARG 13 2HG ARG 13 12.240 5.186 -15.528 71 HD2 ARG 13 1HD ARG 13 12.100 3.595 -17.878 72 HD3 ARG 13 2HD ARG 13 13.053 4.992 -18.336 73 HE ARG 13 HE ARG 13 14.782 4.203 -16.982 74 HH11 ARG 13 2HH2 ARG 13 11.761 2.748 -15.914 75 HH12 ARG 13 1HH2 ARG 13 12.522 1.718 -14.748 76 HH21 ARG 13 2HH1 ARG 13 15.786 2.844 -15.444 77 HH22 ARG 13 1HH1 ARG 13 14.826 1.773 -14.478 78 H VAL 14 H VAL 14 9.611 7.832 -14.186 79 HA VAL 14 HA VAL 14 9.783 5.900 -12.006 80 HB VAL 14 HB VAL 14 10.135 8.902 -11.979 81 HG11 VAL 14 1HG1 VAL 14 11.659 7.692 -9.957 82 HG12 VAL 14 2HG1 VAL 14 10.159 8.630 -9.762 83 HG13 VAL 14 3HG1 VAL 14 10.087 6.859 -9.917 84 HG21 VAL 14 1HG2 VAL 14 11.743 7.228 -13.384 85 HG22 VAL 14 2HG2 VAL 14 12.308 8.717 -12.589 86 HG23 VAL 14 3HG2 VAL 14 12.515 7.144 -11.782 87 H TYR 15 H TYR 15 7.312 6.716 -13.725 88 HA TYR 15 HA TYR 15 5.537 8.286 -12.473 89 HB2 TYR 15 1HB TYR 15 5.439 5.517 -13.767 90 HB3 TYR 15 2HB TYR 15 3.947 6.208 -13.161 91 HD1 TYR 15 2HD TYR 15 6.749 6.809 -15.543 92 HD2 TYR 15 1HD TYR 15 2.743 7.811 -14.425 93 HE1 TYR 15 2HE TYR 15 6.460 8.104 -17.712 94 HE2 TYR 15 1HE TYR 15 2.468 9.102 -16.598 95 HH TYR 15 HH TYR 15 4.583 8.775 -19.169 96 H GLU 16 H GLU 16 4.154 8.254 -10.695 97 HA GLU 16 HA GLU 16 4.988 6.518 -8.602 98 HB2 GLU 16 1HB GLU 16 3.567 7.863 -7.182 99 HB3 GLU 16 2HB GLU 16 4.393 8.948 -8.282 100 HG2 GLU 16 1HG GLU 16 1.895 8.012 -9.479 101 HG3 GLU 16 2HG GLU 16 1.586 8.698 -7.896 102 H SER 17 H SER 17 2.084 6.632 -7.475 103 HA SER 17 HA SER 17 1.416 4.051 -8.030 104 HB2 SER 17 1HB SER 17 -0.994 4.986 -7.307 105 HB3 SER 17 2HB SER 17 0.315 4.816 -6.155 106 HG SER 17 HG SER 17 0.011 7.264 -7.630 107 H ILE 18 H ILE 18 0.991 3.218 -10.050 108 HA ILE 18 HA ILE 18 -0.418 4.901 -11.957 109 HB ILE 18 HB ILE 18 1.183 2.367 -12.138 110 HG12 ILE 18 1HG1 ILE 18 1.750 4.470 -14.051 111 HG13 ILE 18 2HG1 ILE 18 1.782 5.103 -12.417 112 HG21 ILE 18 1HG2 ILE 18 0.661 2.399 -14.598 113 HG22 ILE 18 2HG2 ILE 18 -0.677 1.885 -13.542 114 HG23 ILE 18 3HG2 ILE 18 -0.667 3.526 -14.232 115 HD11 ILE 18 1HD1 ILE 18 3.250 2.569 -13.279 116 HD12 ILE 18 2HD1 ILE 18 4.001 4.181 -13.188 117 HD13 ILE 18 3HD1 ILE 18 3.387 3.400 -11.711 118 H GLY 19 H GLY 19 -2.306 4.088 -13.132 119 HA2 GLY 19 1HA GLY 19 -4.170 2.836 -11.344 120 HA3 GLY 19 2HA GLY 19 -4.465 3.414 -12.972 121 H HIS 20 H HIS 20 -2.969 2.033 -14.690 122 HA HIS 20 HA HIS 20 -3.768 -0.722 -14.161 123 HB2 HIS 20 1HB HIS 20 -4.584 0.619 -16.193 124 HB3 HIS 20 2HB HIS 20 -2.957 0.454 -16.823 125 HD1 HIS 20 1HD HIS 20 -2.279 -1.807 -17.828 126 HD2 HIS 20 2HD HIS 20 -6.049 -1.861 -15.989 127 HE1 HIS 20 1HE HIS 20 -3.360 -4.026 -18.477 128 H TYR 21 H TYR 21 -1.906 -1.038 -12.697 129 HA TYR 21 HA TYR 21 0.717 -0.620 -13.322 130 HB2 TYR 21 1HB TYR 21 -0.990 -2.532 -11.731 131 HB3 TYR 21 2HB TYR 21 0.646 -3.093 -12.014 132 HD1 TYR 21 1HD TYR 21 -0.802 0.282 -11.209 133 HD2 TYR 21 2HD TYR 21 1.940 -2.814 -10.114 134 HE1 TYR 21 1HE TYR 21 0.026 1.694 -9.263 135 HE2 TYR 21 2HE TYR 21 2.758 -1.392 -8.172 136 HH TYR 21 HH TYR 21 2.426 0.406 -6.996 137 H GLY 22 H GLY 22 2.302 -2.720 -13.538 138 HA2 GLY 22 1HA GLY 22 2.508 -3.388 -16.137 139 HA3 GLY 22 2HA GLY 22 3.055 -4.419 -14.830 140 H GLY 23 H GLY 23 0.559 -3.851 -17.260 141 HA2 GLY 23 1HA GLY 23 -1.295 -5.024 -17.844 142 HA3 GLY 23 2HA GLY 23 -0.183 -6.375 -17.748 143 H GLU 24 H GLU 24 -2.256 -4.294 -15.607 144 HA GLU 24 HA GLU 24 -3.636 -6.473 -14.600 145 HB2 GLU 24 1HB GLU 24 -2.761 -6.473 -12.243 146 HB3 GLU 24 2HB GLU 24 -1.616 -7.101 -13.411 147 HG2 GLU 24 1HG GLU 24 -0.864 -4.497 -13.488 148 HG3 GLU 24 2HG GLU 24 -1.539 -4.518 -11.870 149 H THR 25 H THR 25 -4.493 -5.569 -12.111 150 HA THR 25 HA THR 25 -5.151 -2.739 -12.522 151 HB THR 25 HB THR 25 -7.535 -3.690 -11.644 152 HG1 THR 25 1HG THR 25 -6.143 -5.755 -13.202 153 HG21 THR 25 1HG2 THR 25 -6.891 -4.261 -14.552 154 HG22 THR 25 2HG2 THR 25 -8.351 -3.520 -13.855 155 HG23 THR 25 3HG2 THR 25 -6.845 -2.579 -13.972 156 H VAL 26 H VAL 26 -4.717 -1.555 -10.776 157 HA VAL 26 HA VAL 26 -4.539 -3.012 -8.232 158 HB VAL 26 HB VAL 26 -3.108 -0.949 -7.637 159 HG11 VAL 26 1HG1 VAL 26 -2.150 -3.151 -7.788 160 HG12 VAL 26 2HG1 VAL 26 -2.167 -3.093 -9.567 161 HG13 VAL 26 3HG1 VAL 26 -1.081 -2.021 -8.652 162 HG21 VAL 26 1HG2 VAL 26 -3.876 0.029 -10.021 163 HG22 VAL 26 2HG2 VAL 26 -2.326 0.450 -9.256 164 HG23 VAL 26 3HG2 VAL 26 -2.382 -0.799 -10.522 165 H LYS 27 H LYS 27 -5.813 -2.376 -6.528 166 HA LYS 27 HA LYS 27 -7.706 -0.238 -7.133 167 HB2 LYS 27 1HB LYS 27 -8.413 -2.617 -6.484 168 HB3 LYS 27 2HB LYS 27 -7.863 -2.230 -4.865 169 HG2 LYS 27 1HG LYS 27 -9.470 -0.019 -5.783 170 HG3 LYS 27 2HG LYS 27 -10.350 -1.492 -6.140 171 HD2 LYS 27 1HD LYS 27 -9.893 -2.235 -3.727 172 HD3 LYS 27 2HD LYS 27 -9.255 -0.632 -3.424 173 HE2 LYS 27 1HE LYS 27 -12.078 -1.214 -4.441 174 HE3 LYS 27 2HE LYS 27 -11.673 -0.855 -2.775 175 HZ1 LYS 27 1HZ LYS 27 -12.397 1.088 -4.004 176 HZ2 LYS 27 2HZ LYS 27 -10.868 1.278 -3.462 177 HZ3 LYS 27 3HZ LYS 27 -11.140 0.944 -5.037 178 H ILE 28 H ILE 28 -7.331 1.755 -6.343 179 HA ILE 28 HA ILE 28 -5.421 2.001 -4.165 180 HB ILE 28 HB ILE 28 -6.679 4.047 -5.996 181 HG12 ILE 28 1HG1 ILE 28 -4.124 4.115 -6.688 182 HG13 ILE 28 2HG1 ILE 28 -4.131 2.471 -6.081 183 HG21 ILE 28 1HG2 ILE 28 -4.992 4.299 -3.574 184 HG22 ILE 28 2HG2 ILE 28 -4.509 5.283 -4.977 185 HG23 ILE 28 3HG2 ILE 28 -6.149 5.440 -4.302 186 HD11 ILE 28 1HD1 ILE 28 -5.327 1.698 -7.860 187 HD12 ILE 28 2HD1 ILE 28 -6.473 3.059 -7.785 188 HD13 ILE 28 3HD1 ILE 28 -4.920 3.249 -8.633 189 H VAL 29 H VAL 29 -5.890 3.121 -2.201 190 HA VAL 29 HA VAL 29 -8.626 3.901 -1.726 191 HB VAL 29 HB VAL 29 -8.276 2.318 0.454 192 HG11 VAL 29 1HG1 VAL 29 -9.541 1.106 -1.986 193 HG12 VAL 29 2HG1 VAL 29 -10.126 1.161 -0.306 194 HG13 VAL 29 3HG1 VAL 29 -10.196 2.622 -1.321 195 HG21 VAL 29 1HG2 VAL 29 -6.234 1.299 -0.515 196 HG22 VAL 29 2HG2 VAL 29 -7.534 0.112 -0.254 197 HG23 VAL 29 3HG2 VAL 29 -7.199 0.719 -1.894 198 H ARG 30 H ARG 30 -8.465 5.814 -0.690 199 HA ARG 30 HA ARG 30 -5.982 6.390 0.620 200 HB2 ARG 30 1HB ARG 30 -8.413 8.007 -0.209 201 HB3 ARG 30 2HB ARG 30 -7.292 8.687 0.954 202 HG2 ARG 30 1HG ARG 30 -5.495 8.724 -0.591 203 HG3 ARG 30 2HG ARG 30 -6.212 7.494 -1.612 204 HD2 ARG 30 1HD ARG 30 -7.724 10.083 -1.273 205 HD3 ARG 30 2HD ARG 30 -6.287 10.106 -2.276 206 HE ARG 30 HE ARG 30 -7.849 7.843 -3.040 207 HH11 ARG 30 2HH2 ARG 30 -8.001 11.356 -3.153 208 HH12 ARG 30 1HH2 ARG 30 -8.995 11.395 -4.571 209 HH21 ARG 30 2HH1 ARG 30 -9.160 7.894 -4.911 210 HH22 ARG 30 1HH1 ARG 30 -9.659 9.412 -5.578 211 H ILE 31 H ILE 31 -5.739 5.893 2.777 212 HA ILE 31 HA ILE 31 -8.170 5.848 4.414 213 HB ILE 31 HB ILE 31 -5.505 4.465 4.715 214 HG12 ILE 31 1HG1 ILE 31 -8.304 3.411 4.211 215 HG13 ILE 31 2HG1 ILE 31 -6.993 3.467 3.049 216 HG21 ILE 31 1HG2 ILE 31 -7.126 5.351 6.797 217 HG22 ILE 31 2HG2 ILE 31 -7.576 3.642 6.583 218 HG23 ILE 31 3HG2 ILE 31 -5.877 4.086 6.875 219 HD11 ILE 31 1HD1 ILE 31 -6.243 1.470 3.798 220 HD12 ILE 31 2HD1 ILE 31 -5.980 2.177 5.411 221 HD13 ILE 31 3HD1 ILE 31 -7.548 1.435 5.009 222 H GLU 32 H GLU 32 -8.352 7.129 6.245 223 HA GLU 32 HA GLU 32 -6.308 9.174 6.421 224 HB2 GLU 32 1HB GLU 32 -9.134 9.047 7.563 225 HB3 GLU 32 2HB GLU 32 -8.042 10.400 7.781 226 HG2 GLU 32 1HG GLU 32 -7.915 10.098 5.047 227 HG3 GLU 32 2HG GLU 32 -9.554 9.554 5.348 228 H LYS 33 H LYS 33 -4.792 9.090 8.020 229 HA LYS 33 HA LYS 33 -5.548 7.691 10.486 230 HB2 LYS 33 1HB LYS 33 -3.202 7.236 8.689 231 HB3 LYS 33 2HB LYS 33 -2.940 7.126 10.418 232 HG2 LYS 33 1HG LYS 33 -4.573 5.376 10.669 233 HG3 LYS 33 2HG LYS 33 -5.260 5.676 9.086 234 HD2 LYS 33 1HD LYS 33 -3.895 3.690 8.892 235 HD3 LYS 33 2HD LYS 33 -3.046 4.974 8.054 236 HE2 LYS 33 1HE LYS 33 -2.478 4.262 10.966 237 HE3 LYS 33 2HE LYS 33 -1.626 3.513 9.631 238 HZ1 LYS 33 1HZ LYS 33 -1.521 6.176 9.114 239 HZ2 LYS 33 2HZ LYS 33 -1.281 6.087 10.727 240 HZ3 LYS 33 3HZ LYS 33 -0.307 5.260 9.709 241 H ALA 34 H ALA 34 -4.990 8.720 12.387 242 HA ALA 34 HA ALA 34 -4.255 11.466 12.136 243 HB1 ALA 34 1HB ALA 34 -5.875 10.297 13.808 244 HB2 ALA 34 2HB ALA 34 -4.399 9.891 14.715 245 HB3 ALA 34 3HB ALA 34 -4.819 11.594 14.417 246 H ARG 35 H ARG 35 -2.492 12.314 13.787 247 HA ARG 35 HA ARG 35 -0.093 11.061 12.934 248 HB2 ARG 35 1HB ARG 35 -0.635 13.628 13.298 249 HB3 ARG 35 2HB ARG 35 -0.242 13.310 14.976 250 HG2 ARG 35 1HG ARG 35 2.011 12.659 14.445 251 HG3 ARG 35 2HG ARG 35 1.647 12.480 12.740 252 HD2 ARG 35 1HD ARG 35 2.085 14.677 12.336 253 HD3 ARG 35 2HD ARG 35 0.994 15.192 13.607 254 HE ARG 35 HE ARG 35 3.214 14.267 14.998 255 HH11 ARG 35 2HH2 ARG 35 2.723 16.634 12.441 256 HH12 ARG 35 1HH2 ARG 35 4.065 17.619 12.921 257 HH21 ARG 35 2HH1 ARG 35 4.983 15.567 15.632 258 HH22 ARG 35 1HH1 ARG 35 5.358 17.008 14.748 259 H ASP 36 H ASP 36 -1.639 9.308 14.583 260 HA ASP 36 HA ASP 36 0.226 8.377 16.305 261 HB2 ASP 36 1HB ASP 36 -0.873 10.674 17.439 262 HB3 ASP 36 2HB ASP 36 -1.855 9.411 18.155 263 H ILE 37 H ILE 37 -1.719 7.463 14.397 264 HA ILE 37 HA ILE 37 -3.510 5.912 16.135 265 HB ILE 37 HB ILE 37 -4.034 7.407 13.619 266 HG12 ILE 37 1HG1 ILE 37 -4.775 7.865 16.133 267 HG13 ILE 37 2HG1 ILE 37 -5.787 8.284 14.765 268 HG21 ILE 37 1HG2 ILE 37 -4.459 5.216 12.798 269 HG22 ILE 37 2HG2 ILE 37 -5.296 4.742 14.296 270 HG23 ILE 37 3HG2 ILE 37 -6.035 5.938 13.203 271 HD11 ILE 37 1HD1 ILE 37 -6.917 6.984 16.686 272 HD12 ILE 37 2HD1 ILE 37 -7.172 6.348 15.043 273 HD13 ILE 37 3HD1 ILE 37 -5.993 5.569 16.125 274 HA PRO 38 HA PRO 38 -1.267 2.632 14.373 275 HB2 PRO 38 1HB PRO 38 -2.523 0.581 15.670 276 HB3 PRO 38 2HB PRO 38 -1.208 1.498 16.376 277 HG2 PRO 38 1HG PRO 38 -4.099 1.642 16.976 278 HG3 PRO 38 2HG PRO 38 -2.749 2.216 17.935 279 HD2 PRO 38 1HD PRO 38 -4.519 3.809 16.335 280 HD3 PRO 38 2HD PRO 38 -3.100 4.366 17.201 281 H LEU 39 H LEU 39 -1.350 1.092 12.725 282 HA LEU 39 HA LEU 39 -3.482 1.501 10.972 283 HB2 LEU 39 1HB LEU 39 -1.073 0.721 10.552 284 HB3 LEU 39 2HB LEU 39 -1.651 -0.886 10.948 285 HG LEU 39 HG LEU 39 -1.726 -0.805 8.620 286 HD11 LEU 39 1HD1 LEU 39 -3.920 -1.446 9.870 287 HD12 LEU 39 2HD1 LEU 39 -4.561 0.042 9.133 288 HD13 LEU 39 3HD1 LEU 39 -3.930 -1.263 8.099 289 HD21 LEU 39 1HD2 LEU 39 -2.435 1.004 7.261 290 HD22 LEU 39 2HD2 LEU 39 -3.161 1.856 8.645 291 HD23 LEU 39 3HD2 LEU 39 -1.392 1.696 8.526 292 H GLY 40 H GLY 40 -2.693 -1.285 13.159 293 HA2 GLY 40 1HA GLY 40 -4.085 -2.721 14.210 294 HA3 GLY 40 2HA GLY 40 -5.455 -1.757 13.698 295 H ALA 41 H ALA 41 -2.967 -3.169 11.514 296 HA ALA 41 HA ALA 41 -4.836 -5.245 10.709 297 HB1 ALA 41 1HB ALA 41 -5.026 -4.548 8.476 298 HB2 ALA 41 2HB ALA 41 -5.172 -3.021 9.378 299 HB3 ALA 41 3HB ALA 41 -3.631 -3.449 8.597 300 H THR 42 H THR 42 -3.675 -7.098 10.708 301 HA THR 42 HA THR 42 -0.783 -6.916 10.529 302 HB THR 42 HB THR 42 -2.470 -9.428 10.876 303 HG1 THR 42 1HG THR 42 -3.312 -8.075 12.477 304 HG21 THR 42 1HG2 THR 42 -0.185 -10.031 11.006 305 HG22 THR 42 2HG2 THR 42 0.289 -8.451 11.675 306 HG23 THR 42 3HG2 THR 42 -0.544 -9.639 12.705 307 H VAL 43 H VAL 43 0.509 -8.148 9.051 308 HA VAL 43 HA VAL 43 -0.915 -9.108 6.697 309 HB VAL 43 HB VAL 43 0.190 -7.748 5.187 310 HG11 VAL 43 1HG1 VAL 43 -0.037 -5.719 7.398 311 HG12 VAL 43 2HG1 VAL 43 -0.528 -5.599 5.691 312 HG13 VAL 43 3HG1 VAL 43 -1.484 -6.582 6.826 313 HG21 VAL 43 1HG2 VAL 43 2.460 -8.004 6.022 314 HG22 VAL 43 2HG2 VAL 43 2.108 -6.280 5.753 315 HG23 VAL 43 3HG2 VAL 43 2.103 -6.942 7.405 316 H ARG 44 H ARG 44 0.461 -10.511 5.334 317 HA ARG 44 HA ARG 44 2.434 -11.782 7.030 318 HB2 ARG 44 1HB ARG 44 1.226 -12.847 4.432 319 HB3 ARG 44 2HB ARG 44 2.115 -13.768 5.628 320 HG2 ARG 44 1HG ARG 44 0.264 -13.065 7.313 321 HG3 ARG 44 2HG ARG 44 -0.652 -12.530 5.918 322 HD2 ARG 44 1HD ARG 44 -1.364 -14.791 6.355 323 HD3 ARG 44 2HD ARG 44 -0.349 -14.873 4.928 324 HE ARG 44 HE ARG 44 1.151 -15.252 7.413 325 HH11 ARG 44 2HH2 ARG 44 -0.781 -16.860 4.950 326 HH12 ARG 44 1HH2 ARG 44 -0.097 -18.422 5.252 327 HH21 ARG 44 2HH1 ARG 44 2.053 -17.313 7.812 328 HH22 ARG 44 1HH1 ARG 44 1.526 -18.682 6.891 329 H ASN 45 H ASN 45 4.489 -12.580 5.983 330 HA ASN 45 HA ASN 45 5.381 -10.594 4.089 331 HB2 ASN 45 1HB ASN 45 6.562 -11.892 6.326 332 HB3 ASN 45 2HB ASN 45 7.395 -12.567 4.940 333 HD21 ASN 45 1HD2 ASN 45 7.054 -10.292 3.226 334 HD22 ASN 45 2HD2 ASN 45 8.111 -9.034 3.774 335 H GLU 46 H GLU 46 4.714 -11.324 2.011 336 HA GLU 46 HA GLU 46 4.941 -14.103 1.388 337 HB2 GLU 46 1HB GLU 46 3.459 -11.860 0.406 338 HB3 GLU 46 2HB GLU 46 4.425 -12.446 -0.934 339 HG2 GLU 46 1HG GLU 46 2.402 -14.001 0.727 340 HG3 GLU 46 2HG GLU 46 2.363 -13.689 -0.998 341 H MET 47 H MET 47 6.056 -14.750 -0.765 342 HA MET 47 HA MET 47 8.598 -14.772 -0.714 343 HB2 MET 47 1HB MET 47 6.865 -14.115 -3.146 344 HB3 MET 47 2HB MET 47 8.572 -14.465 -3.327 345 HG2 MET 47 1HG MET 47 7.118 -16.439 -1.641 346 HG3 MET 47 2HG MET 47 6.552 -16.372 -3.299 347 HE1 MET 47 1HE MET 47 7.184 -18.431 -4.231 348 HE2 MET 47 2HE MET 47 8.766 -19.243 -4.156 349 HE3 MET 47 3HE MET 47 7.749 -19.138 -2.699 350 H ASP 48 H ASP 48 6.973 -11.953 -2.353 351 HA ASP 48 HA ASP 48 9.054 -10.272 -1.308 352 HB2 ASP 48 1HB ASP 48 8.427 -10.115 -4.274 353 HB3 ASP 48 2HB ASP 48 9.780 -9.405 -3.417 354 H SER 49 H SER 49 6.036 -10.792 -1.130 355 HA SER 49 HA SER 49 5.237 -8.078 -1.810 356 HB2 SER 49 1HB SER 49 3.610 -10.619 -2.261 357 HB3 SER 49 2HB SER 49 2.940 -9.003 -2.368 358 HG SER 49 HG SER 49 5.076 -10.092 -3.995 359 H VAL 50 H VAL 50 3.482 -7.229 -0.402 360 HA VAL 50 HA VAL 50 3.464 -8.634 2.175 361 HB VAL 50 HB VAL 50 3.257 -5.717 1.428 362 HG11 VAL 50 1HG1 VAL 50 2.425 -7.139 3.921 363 HG12 VAL 50 2HG1 VAL 50 3.273 -5.584 4.094 364 HG13 VAL 50 3HG1 VAL 50 1.761 -5.673 3.159 365 HG21 VAL 50 1HG2 VAL 50 5.293 -7.419 2.862 366 HG22 VAL 50 2HG2 VAL 50 5.522 -6.289 1.506 367 HG23 VAL 50 3HG2 VAL 50 5.202 -5.663 3.141 368 H ILE 51 H ILE 51 1.669 -9.942 2.133 369 HA ILE 51 HA ILE 51 -0.813 -8.711 1.181 370 HB ILE 51 HB ILE 51 0.079 -11.573 1.471 371 HG12 ILE 51 1HG1 ILE 51 -0.644 -11.542 -0.993 372 HG13 ILE 51 2HG1 ILE 51 -0.654 -9.795 -0.860 373 HG21 ILE 51 1HG2 ILE 51 -2.181 -12.205 0.660 374 HG22 ILE 51 2HG2 ILE 51 -2.181 -11.508 2.298 375 HG23 ILE 51 3HG2 ILE 51 -2.707 -10.523 0.912 376 HD11 ILE 51 1HD1 ILE 51 1.793 -10.795 0.326 377 HD12 ILE 51 2HD1 ILE 51 1.596 -11.495 -1.299 378 HD13 ILE 51 3HD1 ILE 51 1.595 -9.728 -1.085 379 H ILE 52 H ILE 52 -2.687 -8.702 2.499 380 HA ILE 52 HA ILE 52 -2.160 -8.351 5.235 381 HB ILE 52 HB ILE 52 -4.789 -8.693 3.789 382 HG12 ILE 52 1HG1 ILE 52 -3.137 -6.874 2.988 383 HG13 ILE 52 2HG1 ILE 52 -4.800 -6.426 3.310 384 HG21 ILE 52 1HG2 ILE 52 -5.505 -7.157 5.768 385 HG22 ILE 52 2HG2 ILE 52 -5.359 -8.913 6.018 386 HG23 ILE 52 3HG2 ILE 52 -4.064 -7.825 6.571 387 HD11 ILE 52 1HD1 ILE 52 -3.137 -6.248 5.732 388 HD12 ILE 52 2HD1 ILE 52 -2.532 -5.217 4.413 389 HD13 ILE 52 3HD1 ILE 52 -4.202 -5.026 4.997 390 H SER 53 H SER 53 -3.313 -9.561 7.027 391 HA SER 53 HA SER 53 -3.707 -12.346 6.340 392 HB2 SER 53 1HB SER 53 -1.915 -13.120 7.488 393 HB3 SER 53 2HB SER 53 -1.316 -11.473 7.474 394 HG SER 53 HG SER 53 -1.746 -11.260 9.573 395 H ARG 54 H ARG 54 -3.636 -9.903 9.037 396 HA ARG 54 HA ARG 54 -6.263 -10.904 9.769 397 HB2 ARG 54 1HB ARG 54 -4.391 -11.698 11.346 398 HB3 ARG 54 2HB ARG 54 -4.142 -10.020 11.786 399 HG2 ARG 54 1HG ARG 54 -6.926 -10.364 12.034 400 HG3 ARG 54 2HG ARG 54 -6.270 -11.876 12.630 401 HD2 ARG 54 1HD ARG 54 -4.997 -10.795 14.343 402 HD3 ARG 54 2HD ARG 54 -5.100 -9.229 13.562 403 HE ARG 54 HE ARG 54 -7.151 -8.881 14.620 404 HH11 ARG 54 2HH2 ARG 54 -6.489 -12.336 14.553 405 HH12 ARG 54 1HH2 ARG 54 -7.870 -12.749 15.514 406 HH21 ARG 54 2HH1 ARG 54 -8.973 -9.425 15.888 407 HH22 ARG 54 1HH1 ARG 54 -9.292 -11.082 16.278 408 H ILE 55 H ILE 55 -7.713 -9.268 10.647 409 HA ILE 55 HA ILE 55 -6.705 -6.534 10.267 410 HB ILE 55 HB ILE 55 -9.366 -7.771 9.597 411 HG12 ILE 55 1HG1 ILE 55 -7.669 -7.990 7.878 412 HG13 ILE 55 2HG1 ILE 55 -8.904 -6.857 7.368 413 HG21 ILE 55 1HG2 ILE 55 -10.455 -5.854 9.860 414 HG22 ILE 55 2HG2 ILE 55 -9.034 -5.239 10.738 415 HG23 ILE 55 3HG2 ILE 55 -9.196 -4.945 8.990 416 HD11 ILE 55 1HD1 ILE 55 -6.058 -6.308 8.216 417 HD12 ILE 55 2HD1 ILE 55 -6.956 -5.685 6.811 418 HD13 ILE 55 3HD1 ILE 55 -7.287 -5.039 8.437 419 H VAL 56 H VAL 56 -6.280 -5.732 12.265 420 HA VAL 56 HA VAL 56 -7.758 -6.645 14.535 421 HB VAL 56 HB VAL 56 -5.849 -4.315 14.347 422 HG11 VAL 56 1HG1 VAL 56 -7.315 -4.921 16.450 423 HG12 VAL 56 2HG1 VAL 56 -6.089 -6.190 16.681 424 HG13 VAL 56 3HG1 VAL 56 -5.601 -4.478 16.638 425 HG21 VAL 56 1HG2 VAL 56 -4.383 -6.487 15.266 426 HG22 VAL 56 2HG2 VAL 56 -5.337 -7.163 13.924 427 HG23 VAL 56 3HG2 VAL 56 -4.283 -5.756 13.646 428 H LYS 57 H LYS 57 -9.225 -5.432 15.830 429 HA LYS 57 HA LYS 57 -10.768 -3.563 14.276 430 HB2 LYS 57 1HB LYS 57 -12.087 -5.107 15.428 431 HB3 LYS 57 2HB LYS 57 -11.128 -5.007 16.890 432 HG2 LYS 57 1HG LYS 57 -11.964 -2.766 17.380 433 HG3 LYS 57 2HG LYS 57 -12.734 -2.648 15.811 434 HD2 LYS 57 1HD LYS 57 -14.543 -3.226 17.200 435 HD3 LYS 57 2HD LYS 57 -14.078 -4.782 16.542 436 HE2 LYS 57 1HE LYS 57 -14.217 -5.287 18.827 437 HE3 LYS 57 2HE LYS 57 -12.508 -4.934 18.667 438 HZ1 LYS 57 1HZ LYS 57 -13.991 -3.771 20.449 439 HZ2 LYS 57 2HZ LYS 57 -12.740 -2.987 19.751 440 HZ3 LYS 57 3HZ LYS 57 -14.265 -2.709 19.239 441 H GLY 58 H GLY 58 -11.400 -1.416 15.114 442 HA2 GLY 58 1HA GLY 58 -11.013 0.549 16.180 443 HA3 GLY 58 2HA GLY 58 -9.837 -0.236 17.215 444 H GLY 59 H GLY 59 -8.954 -1.195 14.148 445 HA2 GLY 59 1HA GLY 59 -6.764 0.690 14.070 446 HA3 GLY 59 2HA GLY 59 -7.017 -0.707 13.044 447 H ALA 60 H ALA 60 -6.201 1.947 12.149 448 HA ALA 60 HA ALA 60 -8.403 3.374 11.129 449 HB1 ALA 60 1HB ALA 60 -6.786 4.815 10.450 450 HB2 ALA 60 2HB ALA 60 -5.698 3.785 11.412 451 HB3 ALA 60 3HB ALA 60 -5.841 3.532 9.656 452 H ALA 61 H ALA 61 -6.789 0.410 10.195 453 HA ALA 61 HA ALA 61 -7.518 0.542 7.440 454 HB1 ALA 61 1HB ALA 61 -5.813 -0.941 7.572 455 HB2 ALA 61 2HB ALA 61 -6.116 -1.273 9.294 456 HB3 ALA 61 3HB ALA 61 -7.062 -2.118 8.045 457 H GLU 62 H GLU 62 -8.731 -1.282 10.340 458 HA GLU 62 HA GLU 62 -10.794 -2.533 9.049 459 HB2 GLU 62 1HB GLU 62 -10.276 -3.298 11.224 460 HB3 GLU 62 2HB GLU 62 -10.321 -1.688 11.915 461 HG2 GLU 62 1HG GLU 62 -12.660 -1.642 12.035 462 HG3 GLU 62 2HG GLU 62 -12.862 -2.739 10.684 463 H LYS 63 H LYS 63 -11.097 0.398 11.195 464 HA LYS 63 HA LYS 63 -13.652 1.048 10.739 465 HB2 LYS 63 1HB LYS 63 -11.190 2.562 11.365 466 HB3 LYS 63 2HB LYS 63 -12.504 3.528 10.723 467 HG2 LYS 63 1HG LYS 63 -13.713 3.336 12.642 468 HG3 LYS 63 2HG LYS 63 -13.503 1.597 12.691 469 HD2 LYS 63 1HD LYS 63 -11.059 2.126 13.496 470 HD3 LYS 63 2HD LYS 63 -11.664 3.740 13.814 471 HE2 LYS 63 1HE LYS 63 -11.825 2.344 15.850 472 HE3 LYS 63 2HE LYS 63 -13.423 2.817 15.307 473 HZ1 LYS 63 1HZ LYS 63 -12.929 0.377 15.866 474 HZ2 LYS 63 2HZ LYS 63 -13.864 0.719 14.572 475 HZ3 LYS 63 3HZ LYS 63 -12.299 0.304 14.361 476 H SER 64 H SER 64 -10.913 2.273 8.680 477 HA SER 64 HA SER 64 -12.505 3.463 6.810 478 HB2 SER 64 1HB SER 64 -10.542 3.381 5.334 479 HB3 SER 64 2HB SER 64 -10.047 3.756 6.973 480 HG SER 64 HG SER 64 -9.632 1.382 5.450 481 H GLY 65 H GLY 65 -11.484 0.046 7.173 482 HA2 GLY 65 1HA GLY 65 -12.215 -1.842 6.198 483 HA3 GLY 65 2HA GLY 65 -13.646 -0.963 5.698 484 H LEU 66 H LEU 66 -10.169 -0.394 4.841 485 HA LEU 66 HA LEU 66 -10.966 -0.744 2.036 486 HB2 LEU 66 1HB LEU 66 -8.658 0.878 3.109 487 HB3 LEU 66 2HB LEU 66 -9.234 0.809 1.455 488 HG LEU 66 HG LEU 66 -10.568 2.096 3.840 489 HD11 LEU 66 1HD1 LEU 66 -10.072 4.097 2.898 490 HD12 LEU 66 2HD1 LEU 66 -8.741 3.150 2.189 491 HD13 LEU 66 3HD1 LEU 66 -10.206 3.480 1.233 492 HD21 LEU 66 1HD2 LEU 66 -12.222 0.774 2.495 493 HD22 LEU 66 2HD2 LEU 66 -12.533 2.526 2.557 494 HD23 LEU 66 3HD2 LEU 66 -11.816 1.800 1.099 495 H LEU 67 H LEU 67 -9.275 -2.118 4.665 496 HA LEU 67 HA LEU 67 -7.469 -3.531 2.836 497 HB2 LEU 67 1HB LEU 67 -7.343 -3.079 5.819 498 HB3 LEU 67 2HB LEU 67 -6.271 -4.154 4.944 499 HG LEU 67 HG LEU 67 -5.022 -2.211 5.179 500 HD11 LEU 67 1HD1 LEU 67 -6.141 -1.406 2.540 501 HD12 LEU 67 2HD1 LEU 67 -4.457 -1.692 3.041 502 HD13 LEU 67 3HD1 LEU 67 -5.532 -3.070 2.705 503 HD21 LEU 67 1HD2 LEU 67 -7.076 -0.308 4.151 504 HD22 LEU 67 2HD2 LEU 67 -7.256 -0.923 5.812 505 HD23 LEU 67 3HD2 LEU 67 -5.770 -0.065 5.336 506 H HIS 68 H HIS 68 -7.750 -5.685 2.455 507 HA HIS 68 HA HIS 68 -9.579 -7.095 4.242 508 HB2 HIS 68 1HB HIS 68 -9.737 -7.593 1.291 509 HB3 HIS 68 2HB HIS 68 -10.929 -7.896 2.539 510 HD1 HIS 68 1HD HIS 68 -10.265 -5.644 -0.170 511 HD2 HIS 68 2HD HIS 68 -11.925 -5.230 3.660 512 HE1 HIS 68 1HE HIS 68 -11.600 -3.470 -0.201 513 H GLU 69 H GLU 69 -8.887 -9.133 4.803 514 HA GLU 69 HA GLU 69 -6.308 -9.831 4.497 515 HB2 GLU 69 1HB GLU 69 -8.719 -11.667 4.838 516 HB3 GLU 69 2HB GLU 69 -7.061 -12.168 5.103 517 HG2 GLU 69 1HG GLU 69 -6.785 -10.690 6.968 518 HG3 GLU 69 2HG GLU 69 -8.190 -9.736 6.536 519 H GLY 70 H GLY 70 -5.091 -10.280 2.717 520 HA2 GLY 70 1HA GLY 70 -4.711 -11.944 0.992 521 HA3 GLY 70 2HA GLY 70 -6.392 -11.782 0.525 522 H ASP 71 H ASP 71 -5.260 -8.722 1.488 523 HA ASP 71 HA ASP 71 -5.147 -7.925 -1.263 524 HB2 ASP 71 1HB ASP 71 -5.426 -6.587 1.408 525 HB3 ASP 71 2HB ASP 71 -4.674 -5.630 0.147 526 H GLU 72 H GLU 72 -3.191 -7.567 -2.340 527 HA GLU 72 HA GLU 72 -0.793 -7.804 -0.767 528 HB2 GLU 72 1HB GLU 72 -0.796 -9.157 -2.736 529 HB3 GLU 72 2HB GLU 72 -1.396 -7.854 -3.741 530 HG2 GLU 72 1HG GLU 72 0.730 -6.619 -3.488 531 HG3 GLU 72 2HG GLU 72 1.330 -7.822 -2.364 532 H VAL 73 H VAL 73 0.572 -6.117 -0.262 533 HA VAL 73 HA VAL 73 -0.303 -3.478 -1.070 534 HB VAL 73 HB VAL 73 1.951 -4.292 0.770 535 HG11 VAL 73 1HG1 VAL 73 2.096 -2.108 1.429 536 HG12 VAL 73 2HG1 VAL 73 1.542 -1.853 -0.244 537 HG13 VAL 73 3HG1 VAL 73 0.379 -1.775 1.101 538 HG21 VAL 73 1HG2 VAL 73 -0.331 -5.256 1.377 539 HG22 VAL 73 2HG2 VAL 73 0.462 -4.250 2.614 540 HG23 VAL 73 3HG2 VAL 73 -0.862 -3.576 1.632 541 H LEU 74 H LEU 74 0.762 -2.134 -2.489 542 HA LEU 74 HA LEU 74 3.300 -3.154 -3.553 543 HB2 LEU 74 1HB LEU 74 1.288 -1.765 -5.289 544 HB3 LEU 74 2HB LEU 74 2.661 -2.751 -5.753 545 HG LEU 74 HG LEU 74 0.548 -4.138 -4.195 546 HD11 LEU 74 1HD1 LEU 74 -0.678 -2.564 -5.766 547 HD12 LEU 74 2HD1 LEU 74 0.029 -3.503 -7.102 548 HD13 LEU 74 3HD1 LEU 74 -1.046 -4.298 -5.927 549 HD21 LEU 74 1HD2 LEU 74 2.119 -5.642 -4.870 550 HD22 LEU 74 2HD2 LEU 74 1.024 -5.728 -6.271 551 HD23 LEU 74 3HD2 LEU 74 2.507 -4.747 -6.359 552 H GLU 75 H GLU 75 1.078 -0.287 -3.360 553 HA GLU 75 HA GLU 75 3.461 1.271 -2.768 554 HB2 GLU 75 1HB GLU 75 2.077 1.436 -5.195 555 HB3 GLU 75 2HB GLU 75 1.418 2.772 -4.273 556 HG2 GLU 75 1HG GLU 75 3.594 3.756 -3.937 557 HG3 GLU 75 2HG GLU 75 4.420 2.298 -4.449 558 H ILE 76 H ILE 76 3.153 2.968 -1.244 559 HA ILE 76 HA ILE 76 0.430 3.275 -0.228 560 HB ILE 76 HB ILE 76 2.863 2.487 1.363 561 HG12 ILE 76 1HG1 ILE 76 0.115 1.278 0.975 562 HG13 ILE 76 2HG1 ILE 76 1.657 0.607 0.484 563 HG21 ILE 76 1HG2 ILE 76 2.177 3.699 3.087 564 HG22 ILE 76 2HG2 ILE 76 0.813 4.329 2.133 565 HG23 ILE 76 3HG2 ILE 76 0.625 2.828 3.072 566 HD11 ILE 76 1HD1 ILE 76 1.779 -0.443 2.485 567 HD12 ILE 76 2HD1 ILE 76 1.917 1.150 3.266 568 HD13 ILE 76 3HD1 ILE 76 0.318 0.400 3.053 569 H ASN 77 H ASN 77 0.071 5.365 -0.834 570 HA ASN 77 HA ASN 77 0.203 7.534 -0.734 571 HB2 ASN 77 1HB ASN 77 1.679 6.777 1.582 572 HB3 ASN 77 2HB ASN 77 2.688 7.963 0.779 573 HD21 ASN 77 1HD2 ASN 77 1.114 8.053 3.276 574 HD22 ASN 77 2HD2 ASN 77 0.074 9.433 3.162 575 H GLY 78 H GLY 78 1.961 5.619 -2.465 576 HA2 GLY 78 1HA GLY 78 3.004 6.401 -4.453 577 HA3 GLY 78 2HA GLY 78 3.723 7.721 -3.551 578 H ILE 79 H ILE 79 4.270 5.757 -1.212 579 HA ILE 79 HA ILE 79 6.863 4.985 -2.172 580 HB ILE 79 HB ILE 79 5.519 4.683 0.516 581 HG12 ILE 79 1HG1 ILE 79 7.620 6.530 0.657 582 HG13 ILE 79 2HG1 ILE 79 6.790 6.927 -0.834 583 HG21 ILE 79 1HG2 ILE 79 7.148 3.093 0.698 584 HG22 ILE 79 2HG2 ILE 79 8.209 3.874 -0.499 585 HG23 ILE 79 3HG2 ILE 79 8.085 4.538 1.148 586 HD11 ILE 79 1HD1 ILE 79 5.623 6.782 1.971 587 HD12 ILE 79 2HD1 ILE 79 5.653 8.171 0.858 588 HD13 ILE 79 3HD1 ILE 79 4.589 6.784 0.522 589 H GLU 80 H GLU 80 7.522 2.990 -2.833 590 HA GLU 80 HA GLU 80 5.518 1.074 -3.310 591 HB2 GLU 80 1HB GLU 80 8.105 1.635 -4.277 592 HB3 GLU 80 2HB GLU 80 8.265 0.062 -3.521 593 HG2 GLU 80 1HG GLU 80 6.373 -0.816 -4.848 594 HG3 GLU 80 2HG GLU 80 6.080 0.770 -5.535 595 H ILE 81 H ILE 81 5.731 -1.288 -2.610 596 HA ILE 81 HA ILE 81 6.823 -1.444 0.110 597 HB ILE 81 HB ILE 81 4.154 -2.465 -0.865 598 HG12 ILE 81 1HG1 ILE 81 4.625 0.058 -0.187 599 HG13 ILE 81 2HG1 ILE 81 3.137 -0.762 0.246 600 HG21 ILE 81 1HG2 ILE 81 5.018 -4.124 0.596 601 HG22 ILE 81 2HG2 ILE 81 5.622 -2.903 1.742 602 HG23 ILE 81 3HG2 ILE 81 3.870 -3.150 1.546 603 HD11 ILE 81 1HD1 ILE 81 4.110 0.429 2.196 604 HD12 ILE 81 2HD1 ILE 81 4.069 -1.328 2.477 605 HD13 ILE 81 3HD1 ILE 81 5.600 -0.533 2.038 606 H ARG 82 H ARG 82 5.788 -3.145 -2.896 607 HA ARG 82 HA ARG 82 6.483 -5.638 -2.401 608 HB2 ARG 82 1HB ARG 82 6.176 -4.023 -4.721 609 HB3 ARG 82 2HB ARG 82 7.711 -4.836 -4.946 610 HG2 ARG 82 1HG ARG 82 6.421 -6.556 -5.737 611 HG3 ARG 82 2HG ARG 82 6.203 -6.938 -4.041 612 HD2 ARG 82 1HD ARG 82 4.084 -5.746 -3.950 613 HD3 ARG 82 2HD ARG 82 4.346 -5.026 -5.526 614 HE ARG 82 HE ARG 82 3.375 -7.729 -4.988 615 HH11 ARG 82 2HH2 ARG 82 5.021 -5.699 -7.344 616 HH12 ARG 82 1HH2 ARG 82 4.584 -6.692 -8.695 617 HH21 ARG 82 2HH1 ARG 82 2.799 -9.039 -6.769 618 HH22 ARG 82 1HH1 ARG 82 3.312 -8.605 -8.365 619 H GLY 83 H GLY 83 8.280 -6.647 -1.560 620 HA2 GLY 83 1HA GLY 83 10.568 -7.206 -1.747 621 HA3 GLY 83 2HA GLY 83 10.930 -5.571 -2.264 622 H LYS 84 H LYS 84 8.845 -4.682 -0.042 623 HA LYS 84 HA LYS 84 10.854 -4.237 1.932 624 HB2 LYS 84 1HB LYS 84 7.912 -3.530 1.779 625 HB3 LYS 84 2HB LYS 84 8.954 -3.065 3.108 626 HG2 LYS 84 1HG LYS 84 10.533 -2.079 1.261 627 HG3 LYS 84 2HG LYS 84 9.152 -2.228 0.192 628 HD2 LYS 84 1HD LYS 84 7.786 -0.851 1.798 629 HD3 LYS 84 2HD LYS 84 9.198 -0.668 2.820 630 HE2 LYS 84 1HE LYS 84 8.583 1.183 0.992 631 HE3 LYS 84 2HE LYS 84 10.255 0.800 1.354 632 HZ1 LYS 84 1HZ LYS 84 10.365 -0.583 -0.524 633 HZ2 LYS 84 2HZ LYS 84 8.752 -0.543 -0.778 634 HZ3 LYS 84 3HZ LYS 84 9.652 0.796 -1.032 635 H ASP 85 H ASP 85 10.358 -4.686 4.325 636 HA ASP 85 HA ASP 85 9.611 -7.475 4.456 637 HB2 ASP 85 1HB ASP 85 11.660 -7.198 5.554 638 HB3 ASP 85 2HB ASP 85 11.262 -5.587 6.118 639 H VAL 86 H VAL 86 7.850 -8.186 5.783 640 HA VAL 86 HA VAL 86 5.668 -6.674 6.126 641 HB VAL 86 HB VAL 86 6.180 -9.189 6.549 642 HG11 VAL 86 1HG1 VAL 86 6.368 -8.080 9.370 643 HG12 VAL 86 2HG1 VAL 86 6.193 -9.800 8.947 644 HG13 VAL 86 3HG1 VAL 86 7.657 -8.910 8.466 645 HG21 VAL 86 1HG2 VAL 86 3.953 -9.097 6.672 646 HG22 VAL 86 2HG2 VAL 86 4.111 -8.819 8.423 647 HG23 VAL 86 3HG2 VAL 86 4.006 -7.435 7.308 648 H ASN 87 H ASN 87 8.331 -7.084 8.550 649 HA ASN 87 HA ASN 87 7.188 -5.520 10.493 650 HB2 ASN 87 1HB ASN 87 9.635 -6.878 10.091 651 HB3 ASN 87 2HB ASN 87 10.123 -5.209 10.310 652 HD21 ASN 87 1HD2 ASN 87 7.932 -7.664 11.658 653 HD22 ASN 87 2HD2 ASN 87 8.127 -7.245 13.328 654 H GLU 88 H GLU 88 9.435 -4.732 7.754 655 HA GLU 88 HA GLU 88 9.942 -2.130 8.355 656 HB2 GLU 88 1HB GLU 88 10.214 -3.884 6.081 657 HB3 GLU 88 2HB GLU 88 9.621 -2.339 5.505 658 HG2 GLU 88 1HG GLU 88 11.539 -1.474 7.262 659 HG3 GLU 88 2HG GLU 88 12.239 -3.010 6.793 660 H VAL 89 H VAL 89 7.190 -3.503 6.434 661 HA VAL 89 HA VAL 89 6.013 -1.090 5.757 662 HB VAL 89 HB VAL 89 4.959 -3.878 6.196 663 HG11 VAL 89 1HG1 VAL 89 3.441 -1.381 5.839 664 HG12 VAL 89 2HG1 VAL 89 3.050 -2.644 4.647 665 HG13 VAL 89 3HG1 VAL 89 2.902 -2.986 6.388 666 HG21 VAL 89 1HG2 VAL 89 6.156 -2.378 3.978 667 HG22 VAL 89 2HG2 VAL 89 5.965 -4.133 4.207 668 HG23 VAL 89 3HG2 VAL 89 4.623 -3.171 3.543 669 H PHE 90 H PHE 90 5.529 -3.212 8.653 670 HA PHE 90 HA PHE 90 3.523 -1.721 9.824 671 HB2 PHE 90 1HB PHE 90 5.890 -3.294 11.008 672 HB3 PHE 90 2HB PHE 90 4.468 -2.848 11.930 673 HD1 PHE 90 1HD PHE 90 2.633 -3.387 9.374 674 HD2 PHE 90 2HD PHE 90 5.498 -5.653 11.534 675 HE1 PHE 90 1HE PHE 90 1.500 -5.507 8.653 676 HE2 PHE 90 2HE PHE 90 4.364 -7.773 10.814 677 HZ PHE 90 HZ PHE 90 2.379 -7.675 9.382 678 H ASP 91 H ASP 91 7.050 -1.203 9.705 679 HA ASP 91 HA ASP 91 6.962 0.746 11.773 680 HB2 ASP 91 1HB ASP 91 8.943 -0.806 10.654 681 HB3 ASP 91 2HB ASP 91 9.245 0.718 9.843 682 H LEU 92 H LEU 92 7.004 0.573 8.181 683 HA LEU 92 HA LEU 92 7.567 3.210 7.596 684 HB2 LEU 92 1HB LEU 92 6.414 0.885 6.257 685 HB3 LEU 92 2HB LEU 92 5.770 2.400 5.657 686 HG LEU 92 HG LEU 92 8.720 2.296 5.942 687 HD11 LEU 92 1HD1 LEU 92 7.217 0.488 4.056 688 HD12 LEU 92 2HD1 LEU 92 8.845 1.098 3.677 689 HD13 LEU 92 3HD1 LEU 92 8.582 0.107 5.132 690 HD21 LEU 92 1HD2 LEU 92 8.640 3.495 3.817 691 HD22 LEU 92 2HD2 LEU 92 6.882 3.234 3.722 692 HD23 LEU 92 3HD2 LEU 92 7.563 4.246 5.018 693 H LEU 93 H LEU 93 4.263 1.692 7.736 694 HA LEU 93 HA LEU 93 2.836 4.016 7.564 695 HB2 LEU 93 1HB LEU 93 2.205 1.479 9.077 696 HB3 LEU 93 2HB LEU 93 1.043 2.747 8.741 697 HG LEU 93 HG LEU 93 2.486 1.045 6.691 698 HD11 LEU 93 1HD1 LEU 93 -0.443 1.014 6.745 699 HD12 LEU 93 2HD1 LEU 93 0.725 -0.327 6.659 700 HD13 LEU 93 3HD1 LEU 93 0.305 0.388 8.234 701 HD21 LEU 93 1HD2 LEU 93 2.112 2.661 5.217 702 HD22 LEU 93 2HD2 LEU 93 0.366 2.416 5.466 703 HD23 LEU 93 3HD2 LEU 93 1.239 3.637 6.423 704 H SER 94 H SER 94 4.207 2.425 10.507 705 HA SER 94 HA SER 94 3.114 4.134 12.340 706 HB2 SER 94 1HB SER 94 4.901 1.995 12.367 707 HB3 SER 94 2HB SER 94 5.891 3.317 12.951 708 HG SER 94 HG SER 94 4.956 2.867 14.832 709 H ASP 95 H ASP 95 5.477 4.743 9.877 710 HA ASP 95 HA ASP 95 6.430 7.083 11.310 711 HB2 ASP 95 1HB ASP 95 7.519 5.297 9.186 712 HB3 ASP 95 2HB ASP 95 7.842 7.000 8.929 713 H MET 96 H MET 96 3.781 6.415 9.674 714 HA MET 96 HA MET 96 3.901 8.871 8.122 715 HB2 MET 96 1HB MET 96 2.867 6.124 7.261 716 HB3 MET 96 2HB MET 96 2.328 7.585 6.458 717 HG2 MET 96 1HG MET 96 5.006 8.039 6.358 718 HG3 MET 96 2HG MET 96 5.042 6.288 6.423 719 HE1 MET 96 1HE MET 96 3.611 4.720 4.312 720 HE2 MET 96 2HE MET 96 2.429 5.526 5.371 721 HE3 MET 96 3HE MET 96 2.264 5.642 3.602 722 H HIS 97 H HIS 97 1.862 10.013 7.946 723 HA HIS 97 HA HIS 97 -0.397 8.869 9.319 724 HB2 HIS 97 1HB HIS 97 0.321 11.570 10.319 725 HB3 HIS 97 2HB HIS 97 -0.498 10.248 11.126 726 HD1 HIS 97 1HD HIS 97 1.179 8.155 11.832 727 HD2 HIS 97 2HD HIS 97 2.944 11.880 11.056 728 HE1 HIS 97 1HE HIS 97 3.497 8.082 12.895 729 H GLY 98 H GLY 98 -2.388 10.133 8.937 730 HA2 GLY 98 1HA GLY 98 -3.531 11.886 7.880 731 HA3 GLY 98 2HA GLY 98 -2.135 12.205 6.870 732 H THR 99 H THR 99 -3.993 12.154 5.191 733 HA THR 99 HA THR 99 -5.143 9.643 4.543 734 HB THR 99 HB THR 99 -4.775 12.060 2.714 735 HG1 THR 99 1HG THR 99 -6.474 11.479 5.028 736 HG21 THR 99 1HG2 THR 99 -7.153 10.193 3.202 737 HG22 THR 99 2HG2 THR 99 -7.027 11.454 1.952 738 HG23 THR 99 3HG2 THR 99 -6.008 9.998 1.853 739 H LEU 100 H LEU 100 -3.843 7.935 4.135 740 HA LEU 100 HA LEU 100 -1.600 8.403 2.315 741 HB2 LEU 100 1HB LEU 100 -2.044 5.829 3.759 742 HB3 LEU 100 2HB LEU 100 -0.549 6.584 3.242 743 HG LEU 100 HG LEU 100 -1.530 8.383 5.110 744 HD11 LEU 100 1HD1 LEU 100 -3.280 6.948 5.876 745 HD12 LEU 100 2HD1 LEU 100 -2.168 5.565 6.014 746 HD13 LEU 100 3HD1 LEU 100 -2.000 6.956 7.113 747 HD21 LEU 100 1HD2 LEU 100 0.209 6.722 6.522 748 HD22 LEU 100 2HD2 LEU 100 0.679 6.523 4.817 749 HD23 LEU 100 3HD2 LEU 100 0.637 8.147 5.545 750 H THR 101 H THR 101 -1.411 7.305 0.346 751 HA THR 101 HA THR 101 -3.935 6.192 -0.613 752 HB THR 101 HB THR 101 -1.370 7.154 -1.984 753 HG1 THR 101 1HG THR 101 -4.152 8.077 -1.944 754 HG21 THR 101 1HG2 THR 101 -2.819 7.101 -4.056 755 HG22 THR 101 2HG2 THR 101 -2.466 5.473 -3.431 756 HG23 THR 101 3HG2 THR 101 -4.054 6.218 -3.127 757 H PHE 102 H PHE 102 -4.173 4.100 -0.004 758 HA PHE 102 HA PHE 102 -1.876 2.363 -0.060 759 HB2 PHE 102 1HB PHE 102 -4.859 2.200 0.609 760 HB3 PHE 102 2HB PHE 102 -3.909 0.730 0.523 761 HD1 PHE 102 1HD PHE 102 -4.236 3.956 2.299 762 HD2 PHE 102 2HD PHE 102 -2.492 0.088 2.307 763 HE1 PHE 102 1HE PHE 102 -3.500 4.293 4.675 764 HE2 PHE 102 2HE PHE 102 -1.756 0.425 4.683 765 HZ PHE 102 HZ PHE 102 -2.269 2.523 5.839 766 H VAL 103 H VAL 103 -1.195 1.360 -1.888 767 HA VAL 103 HA VAL 103 -3.211 0.890 -3.969 768 HB VAL 103 HB VAL 103 -0.207 1.205 -4.107 769 HG11 VAL 103 1HG1 VAL 103 -0.230 0.161 -6.075 770 HG12 VAL 103 2HG1 VAL 103 -1.966 -0.179 -5.883 771 HG13 VAL 103 3HG1 VAL 103 -1.436 1.320 -6.683 772 HG21 VAL 103 1HG2 VAL 103 -0.813 3.382 -4.044 773 HG22 VAL 103 2HG2 VAL 103 -1.258 3.108 -5.746 774 HG23 VAL 103 3HG2 VAL 103 -2.504 3.035 -4.477 775 H LEU 104 H LEU 104 -4.067 -1.097 -3.342 776 HA LEU 104 HA LEU 104 -2.158 -3.302 -3.500 777 HB2 LEU 104 1HB LEU 104 -3.732 -4.324 -1.638 778 HB3 LEU 104 2HB LEU 104 -2.277 -3.421 -1.264 779 HG LEU 104 HG LEU 104 -3.972 -1.369 -1.221 780 HD11 LEU 104 1HD1 LEU 104 -6.169 -1.824 -0.655 781 HD12 LEU 104 2HD1 LEU 104 -5.835 -3.049 -1.902 782 HD13 LEU 104 3HD1 LEU 104 -5.814 -3.503 -0.181 783 HD21 LEU 104 1HD2 LEU 104 -3.932 -3.253 1.136 784 HD22 LEU 104 2HD2 LEU 104 -2.487 -2.357 0.609 785 HD23 LEU 104 3HD2 LEU 104 -3.944 -1.473 1.123 786 H ILE 105 H ILE 105 -3.199 -5.367 -4.104 787 HA ILE 105 HA ILE 105 -5.595 -4.815 -5.697 788 HB ILE 105 HB ILE 105 -3.549 -7.017 -5.989 789 HG12 ILE 105 1HG1 ILE 105 -3.778 -4.843 -8.004 790 HG13 ILE 105 2HG1 ILE 105 -3.040 -4.408 -6.475 791 HG21 ILE 105 1HG2 ILE 105 -6.083 -7.159 -6.831 792 HG22 ILE 105 2HG2 ILE 105 -5.392 -6.240 -8.190 793 HG23 ILE 105 3HG2 ILE 105 -4.717 -7.828 -7.756 794 HD11 ILE 105 1HD1 ILE 105 -1.517 -6.435 -6.713 795 HD12 ILE 105 2HD1 ILE 105 -2.179 -6.652 -8.352 796 HD13 ILE 105 3HD1 ILE 105 -1.272 -5.175 -7.946 797 HA PRO 106 HA PRO 106 -7.701 -7.340 -2.857 798 HB2 PRO 106 1HB PRO 106 -10.162 -7.274 -4.043 799 HB3 PRO 106 2HB PRO 106 -9.583 -6.018 -2.966 800 HG2 PRO 106 1HG PRO 106 -9.834 -5.964 -5.911 801 HG3 PRO 106 2HG PRO 106 -9.672 -4.620 -4.799 802 HD2 PRO 106 1HD PRO 106 -7.622 -5.710 -6.483 803 HD3 PRO 106 2HD PRO 106 -7.432 -4.444 -5.286 804 H SER 107 H SER 107 -7.320 -9.440 -2.605 805 HA SER 107 HA SER 107 -7.194 -11.002 -4.964 806 HB2 SER 107 1HB SER 107 -5.633 -11.661 -3.340 807 HB3 SER 107 2HB SER 107 -6.766 -11.476 -2.017 808 HG SER 107 HG SER 107 -6.961 -13.607 -2.180 809 H SER 108 H SER 108 -9.670 -10.142 -5.234 810 HA SER 108 HA SER 108 -11.826 -10.533 -5.136 811 HB2 SER 108 1HB SER 108 -10.764 -13.375 -5.436 812 HB3 SER 108 2HB SER 108 -12.440 -12.937 -5.702 813 HG SER 108 HG SER 108 -10.968 -12.992 -7.643 814 H GLY 109 H GLY 109 -10.599 -10.355 -2.485 815 HA2 GLY 109 1HA GLY 109 -11.318 -12.372 -0.718 816 HA3 GLY 109 2HA GLY 109 -11.142 -10.672 -0.329 817 HA PRO 110 HA PRO 110 -15.442 -10.451 0.190 818 HB2 PRO 110 1HB PRO 110 -15.908 -7.775 -0.116 819 HB3 PRO 110 2HB PRO 110 -15.281 -8.476 1.363 820 HG2 PRO 110 1HG PRO 110 -13.848 -6.924 -0.706 821 HG3 PRO 110 2HG PRO 110 -13.365 -7.261 0.945 822 HD2 PRO 110 1HD PRO 110 -12.362 -8.523 -1.427 823 HD3 PRO 110 2HD PRO 110 -11.966 -8.939 0.228 824 H SER 111 H SER 111 -16.943 -11.350 -1.057 825 HA SER 111 HA SER 111 -17.320 -9.975 -3.593 826 HB2 SER 111 1HB SER 111 -17.493 -12.060 -4.797 827 HB3 SER 111 2HB SER 111 -15.992 -12.105 -3.894 828 HG SER 111 HG SER 111 -16.699 -13.797 -2.789 829 H SER 112 H SER 112 -19.482 -9.575 -4.082 830 HA SER 112 HA SER 112 -21.355 -10.368 -2.062 831 HB2 SER 112 1HB SER 112 -21.294 -8.379 -4.313 832 HB3 SER 112 2HB SER 112 -22.869 -8.942 -3.789 833 HG SER 112 HG SER 112 -22.624 -7.994 -1.824 834 H GLY 113 H GLY 113 -22.756 -12.086 -2.262 835 HA2 GLY 113 1HA GLY 113 -22.646 -13.755 -4.570 836 HA3 GLY 113 2HA GLY 113 -23.668 -13.946 -3.159 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 10.465 29.992 -30.567 2 HA2 GLY 1 1HA GLY 1 8.741 28.304 -31.516 3 HA3 GLY 1 2HA GLY 1 9.927 28.158 -32.798 4 H SER 2 H SER 2 9.241 25.933 -31.213 5 HA SER 2 HA SER 2 11.258 25.724 -29.183 6 HB2 SER 2 1HB SER 2 9.254 24.670 -28.538 7 HB3 SER 2 2HB SER 2 8.962 24.008 -30.134 8 HG SER 2 HG SER 2 10.269 22.869 -28.012 9 H SER 3 H SER 3 13.314 25.587 -30.111 10 HA SER 3 HA SER 3 13.987 23.159 -31.319 11 HB2 SER 3 1HB SER 3 14.684 23.940 -33.536 12 HB3 SER 3 2HB SER 3 12.970 24.231 -33.318 13 HG SER 3 HG SER 3 13.276 26.372 -33.375 14 H GLY 4 H GLY 4 15.723 22.972 -29.906 15 HA2 GLY 4 1HA GLY 4 17.678 25.194 -29.919 16 HA3 GLY 4 2HA GLY 4 17.315 24.211 -28.515 17 H SER 5 H SER 5 19.565 23.564 -28.357 18 HA SER 5 HA SER 5 20.777 22.265 -30.552 19 HB2 SER 5 1HB SER 5 22.558 21.699 -28.848 20 HB3 SER 5 2HB SER 5 22.194 23.409 -28.969 21 HG SER 5 HG SER 5 21.030 23.339 -27.035 22 H SER 6 H SER 6 21.748 19.935 -30.194 23 HA SER 6 HA SER 6 19.528 18.245 -29.761 24 HB2 SER 6 1HB SER 6 21.190 16.420 -30.295 25 HB3 SER 6 2HB SER 6 21.094 17.677 -31.511 26 HG SER 6 HG SER 6 23.307 16.857 -30.536 27 H GLY 7 H GLY 7 18.993 17.057 -27.936 28 HA2 GLY 7 1HA GLY 7 20.991 16.463 -25.928 29 HA3 GLY 7 2HA GLY 7 19.797 17.648 -25.435 30 HA PRO 8 HA PRO 8 18.120 13.295 -25.203 31 HB2 PRO 8 1HB PRO 8 18.780 12.505 -22.671 32 HB3 PRO 8 2HB PRO 8 19.683 12.021 -24.092 33 HG2 PRO 8 1HG PRO 8 20.400 14.015 -22.031 34 HG3 PRO 8 2HG PRO 8 21.439 13.217 -23.194 35 HD2 PRO 8 1HD PRO 8 20.460 15.909 -23.331 36 HD3 PRO 8 2HD PRO 8 21.403 15.074 -24.549 37 H ILE 9 H ILE 9 16.727 12.361 -23.077 38 HA ILE 9 HA ILE 9 14.994 14.674 -22.613 39 HB ILE 9 HB ILE 9 14.493 11.706 -22.687 40 HG12 ILE 9 1HG1 ILE 9 14.553 12.771 -24.859 41 HG13 ILE 9 2HG1 ILE 9 12.907 12.315 -24.466 42 HG21 ILE 9 1HG2 ILE 9 13.235 12.439 -20.809 43 HG22 ILE 9 2HG2 ILE 9 12.694 13.908 -21.656 44 HG23 ILE 9 3HG2 ILE 9 12.102 12.312 -22.176 45 HD11 ILE 9 1HD1 ILE 9 14.139 15.062 -24.608 46 HD12 ILE 9 2HD1 ILE 9 12.565 14.494 -25.216 47 HD13 ILE 9 3HD1 ILE 9 12.790 14.797 -23.476 48 H THR 10 H THR 10 14.001 14.911 -20.456 49 HA THR 10 HA THR 10 15.990 14.512 -18.424 50 HB THR 10 HB THR 10 13.149 15.654 -18.301 51 HG1 THR 10 1HG THR 10 14.460 16.805 -19.825 52 HG21 THR 10 1HG2 THR 10 14.248 15.230 -16.060 53 HG22 THR 10 2HG2 THR 10 15.641 16.197 -16.603 54 HG23 THR 10 3HG2 THR 10 14.046 16.964 -16.407 55 H ASP 11 H ASP 11 15.530 13.534 -16.299 56 HA ASP 11 HA ASP 11 14.743 10.916 -16.644 57 HB2 ASP 11 1HB ASP 11 14.587 11.076 -13.993 58 HB3 ASP 11 2HB ASP 11 16.137 11.201 -14.802 59 H GLU 12 H GLU 12 12.580 10.605 -17.367 60 HA GLU 12 HA GLU 12 10.491 12.091 -16.084 61 HB2 GLU 12 1HB GLU 12 9.016 10.970 -17.732 62 HB3 GLU 12 2HB GLU 12 10.390 11.728 -18.512 63 HG2 GLU 12 1HG GLU 12 11.315 9.138 -17.893 64 HG3 GLU 12 2HG GLU 12 9.654 8.879 -18.386 65 H ARG 13 H ARG 13 12.287 9.732 -14.901 66 HA ARG 13 HA ARG 13 10.062 8.068 -14.070 67 HB2 ARG 13 1HB ARG 13 13.031 7.666 -14.328 68 HB3 ARG 13 2HB ARG 13 12.244 6.804 -13.021 69 HG2 ARG 13 1HG ARG 13 10.875 5.548 -14.486 70 HG3 ARG 13 2HG ARG 13 11.011 6.717 -15.784 71 HD2 ARG 13 1HD ARG 13 13.614 6.061 -15.658 72 HD3 ARG 13 2HD ARG 13 12.987 4.599 -14.924 73 HE ARG 13 HE ARG 13 11.504 5.241 -17.326 74 HH11 ARG 13 2HH2 ARG 13 14.558 3.889 -16.217 75 HH12 ARG 13 1HH2 ARG 13 14.798 2.933 -17.641 76 HH21 ARG 13 2HH1 ARG 13 11.821 3.980 -19.205 77 HH22 ARG 13 1HH1 ARG 13 13.231 2.986 -19.352 78 H VAL 14 H VAL 14 9.327 9.906 -12.632 79 HA VAL 14 HA VAL 14 10.561 9.626 -10.034 80 HB VAL 14 HB VAL 14 10.138 12.400 -11.112 81 HG11 VAL 14 1HG1 VAL 14 10.818 13.055 -9.088 82 HG12 VAL 14 2HG1 VAL 14 10.720 11.353 -8.576 83 HG13 VAL 14 3HG1 VAL 14 12.261 12.017 -9.169 84 HG21 VAL 14 1HG2 VAL 14 12.551 12.541 -11.588 85 HG22 VAL 14 2HG2 VAL 14 12.719 10.804 -11.238 86 HG23 VAL 14 3HG2 VAL 14 11.743 11.342 -12.626 87 H TYR 15 H TYR 15 8.014 9.006 -11.653 88 HA TYR 15 HA TYR 15 6.072 10.665 -10.268 89 HB2 TYR 15 1HB TYR 15 4.553 9.123 -11.716 90 HB3 TYR 15 2HB TYR 15 5.669 10.121 -12.625 91 HD1 TYR 15 1HD TYR 15 5.027 6.685 -11.400 92 HD2 TYR 15 2HD TYR 15 7.432 9.149 -13.939 93 HE1 TYR 15 1HE TYR 15 5.973 4.612 -12.529 94 HE2 TYR 15 2HE TYR 15 8.369 7.068 -15.059 95 HH TYR 15 HH TYR 15 7.611 4.729 -15.429 96 H GLU 16 H GLU 16 4.289 9.691 -9.027 97 HA GLU 16 HA GLU 16 5.322 7.491 -7.465 98 HB2 GLU 16 1HB GLU 16 2.814 9.125 -6.917 99 HB3 GLU 16 2HB GLU 16 3.719 8.146 -5.779 100 HG2 GLU 16 1HG GLU 16 5.569 9.676 -5.752 101 HG3 GLU 16 2HG GLU 16 5.034 10.484 -7.212 102 H SER 17 H SER 17 2.409 6.944 -6.575 103 HA SER 17 HA SER 17 2.007 4.720 -8.105 104 HB2 SER 17 1HB SER 17 -0.450 5.967 -6.974 105 HB3 SER 17 2HB SER 17 0.198 4.356 -6.733 106 HG SER 17 HG SER 17 1.806 5.278 -5.289 107 H ILE 18 H ILE 18 1.941 4.960 -10.357 108 HA ILE 18 HA ILE 18 0.586 7.074 -11.622 109 HB ILE 18 HB ILE 18 1.444 4.393 -12.716 110 HG12 ILE 18 1HG1 ILE 18 3.339 5.446 -11.681 111 HG13 ILE 18 2HG1 ILE 18 3.495 5.589 -13.421 112 HG21 ILE 18 1HG2 ILE 18 0.506 6.945 -13.995 113 HG22 ILE 18 2HG2 ILE 18 1.649 5.874 -14.839 114 HG23 ILE 18 3HG2 ILE 18 0.051 5.262 -14.349 115 HD11 ILE 18 1HD1 ILE 18 3.198 7.704 -11.386 116 HD12 ILE 18 2HD1 ILE 18 3.832 7.808 -13.046 117 HD13 ILE 18 3HD1 ILE 18 2.079 7.900 -12.756 118 H GLY 19 H GLY 19 -0.401 3.922 -10.358 119 HA2 GLY 19 1HA GLY 19 -2.634 3.468 -9.838 120 HA3 GLY 19 2HA GLY 19 -3.167 4.576 -11.087 121 H HIS 20 H HIS 20 -2.435 3.931 -13.438 122 HA HIS 20 HA HIS 20 -3.609 1.518 -14.040 123 HB2 HIS 20 1HB HIS 20 -2.865 3.683 -15.449 124 HB3 HIS 20 2HB HIS 20 -1.558 2.610 -15.907 125 HD1 HIS 20 1HD HIS 20 -5.394 2.539 -15.808 126 HD2 HIS 20 2HD HIS 20 -2.182 0.965 -17.999 127 HE1 HIS 20 1HE HIS 20 -6.421 1.254 -17.758 128 H TYR 21 H TYR 21 -0.280 2.311 -13.116 129 HA TYR 21 HA TYR 21 1.572 1.074 -12.960 130 HB2 TYR 21 1HB TYR 21 -0.797 -0.617 -12.044 131 HB3 TYR 21 2HB TYR 21 0.786 -1.369 -12.044 132 HD1 TYR 21 2HD TYR 21 0.479 2.222 -11.334 133 HD2 TYR 21 1HD TYR 21 0.705 -1.689 -9.614 134 HE1 TYR 21 2HE TYR 21 0.967 3.243 -9.057 135 HE2 TYR 21 1HE TYR 21 1.192 -0.655 -7.343 136 HH TYR 21 HH TYR 21 0.548 2.359 -6.562 137 H GLY 22 H GLY 22 2.272 -1.580 -13.289 138 HA2 GLY 22 1HA GLY 22 2.649 -1.798 -16.038 139 HA3 GLY 22 2HA GLY 22 2.875 -3.072 -14.856 140 H GLY 23 H GLY 23 2.073 -4.510 -16.635 141 HA2 GLY 23 1HA GLY 23 -0.564 -4.290 -17.633 142 HA3 GLY 23 2HA GLY 23 0.474 -5.701 -17.680 143 H GLU 24 H GLU 24 -1.361 -3.744 -15.217 144 HA GLU 24 HA GLU 24 -2.792 -6.063 -14.444 145 HB2 GLU 24 1HB GLU 24 -0.381 -5.276 -12.941 146 HB3 GLU 24 2HB GLU 24 -1.807 -5.335 -11.925 147 HG2 GLU 24 1HG GLU 24 -1.991 -7.616 -12.087 148 HG3 GLU 24 2HG GLU 24 -1.609 -7.628 -13.797 149 H THR 25 H THR 25 -4.164 -5.428 -12.314 150 HA THR 25 HA THR 25 -4.845 -2.572 -12.537 151 HB THR 25 HB THR 25 -7.262 -3.692 -12.047 152 HG1 THR 25 1HG THR 25 -7.062 -5.863 -12.415 153 HG21 THR 25 1HG2 THR 25 -6.294 -4.099 -14.876 154 HG22 THR 25 2HG2 THR 25 -7.794 -3.334 -14.299 155 HG23 THR 25 3HG2 THR 25 -6.254 -2.442 -14.226 156 H VAL 26 H VAL 26 -4.693 -1.498 -10.677 157 HA VAL 26 HA VAL 26 -4.889 -3.110 -8.226 158 HB VAL 26 HB VAL 26 -3.403 -1.310 -7.260 159 HG11 VAL 26 1HG1 VAL 26 -1.364 -2.274 -8.755 160 HG12 VAL 26 2HG1 VAL 26 -2.175 -3.206 -7.474 161 HG13 VAL 26 3HG1 VAL 26 -2.636 -3.445 -9.177 162 HG21 VAL 26 1HG2 VAL 26 -3.853 -0.056 -9.711 163 HG22 VAL 26 2HG2 VAL 26 -2.659 0.413 -8.477 164 HG23 VAL 26 3HG2 VAL 26 -2.178 -0.649 -9.822 165 H LYS 27 H LYS 27 -5.872 -2.027 -6.361 166 HA LYS 27 HA LYS 27 -7.748 0.054 -7.244 167 HB2 LYS 27 1HB LYS 27 -8.616 -2.283 -6.589 168 HB3 LYS 27 2HB LYS 27 -8.203 -1.848 -4.943 169 HG2 LYS 27 1HG LYS 27 -9.560 0.421 -5.791 170 HG3 LYS 27 2HG LYS 27 -10.404 -0.839 -6.670 171 HD2 LYS 27 1HD LYS 27 -10.937 -2.036 -4.624 172 HD3 LYS 27 2HD LYS 27 -9.850 -1.039 -3.678 173 HE2 LYS 27 1HE LYS 27 -11.379 0.658 -3.472 174 HE3 LYS 27 2HE LYS 27 -11.882 0.542 -5.147 175 HZ1 LYS 27 1HZ LYS 27 -12.680 -1.735 -3.694 176 HZ2 LYS 27 2HZ LYS 27 -13.243 -0.378 -2.982 177 HZ3 LYS 27 3HZ LYS 27 -13.594 -0.685 -4.548 178 H ILE 28 H ILE 28 -7.183 2.034 -6.533 179 HA ILE 28 HA ILE 28 -5.395 2.268 -4.298 180 HB ILE 28 HB ILE 28 -6.699 4.263 -6.146 181 HG12 ILE 28 1HG1 ILE 28 -4.064 4.502 -6.585 182 HG13 ILE 28 2HG1 ILE 28 -4.085 2.828 -6.066 183 HG21 ILE 28 1HG2 ILE 28 -6.382 5.742 -4.488 184 HG22 ILE 28 2HG2 ILE 28 -5.280 4.667 -3.594 185 HG23 ILE 28 3HG2 ILE 28 -4.668 5.633 -4.958 186 HD11 ILE 28 1HD1 ILE 28 -6.287 3.415 -7.929 187 HD12 ILE 28 2HD1 ILE 28 -4.690 3.758 -8.635 188 HD13 ILE 28 3HD1 ILE 28 -5.053 2.135 -8.002 189 H VAL 29 H VAL 29 -5.913 2.695 -2.203 190 HA VAL 29 HA VAL 29 -8.653 3.590 -1.678 191 HB VAL 29 HB VAL 29 -8.186 1.977 0.436 192 HG11 VAL 29 1HG1 VAL 29 -10.238 2.029 -0.870 193 HG12 VAL 29 2HG1 VAL 29 -9.435 1.186 -2.217 194 HG13 VAL 29 3HG1 VAL 29 -9.692 0.347 -0.668 195 HG21 VAL 29 1HG2 VAL 29 -6.039 1.214 -0.732 196 HG22 VAL 29 2HG2 VAL 29 -7.143 -0.058 -0.154 197 HG23 VAL 29 3HG2 VAL 29 -7.100 0.366 -1.882 198 H ARG 30 H ARG 30 -8.570 5.489 -0.606 199 HA ARG 30 HA ARG 30 -6.103 6.120 0.733 200 HB2 ARG 30 1HB ARG 30 -8.578 7.857 0.258 201 HB3 ARG 30 2HB ARG 30 -7.027 8.431 0.836 202 HG2 ARG 30 1HG ARG 30 -5.954 7.664 -1.298 203 HG3 ARG 30 2HG ARG 30 -7.513 7.111 -1.877 204 HD2 ARG 30 1HD ARG 30 -8.392 9.479 -1.630 205 HD3 ARG 30 2HD ARG 30 -6.779 9.996 -1.180 206 HE ARG 30 HE ARG 30 -6.735 8.518 -3.676 207 HH11 ARG 30 2HH2 ARG 30 -7.484 11.667 -2.295 208 HH12 ARG 30 1HH2 ARG 30 -7.197 12.525 -3.772 209 HH21 ARG 30 2HH1 ARG 30 -6.356 9.650 -5.625 210 HH22 ARG 30 1HH1 ARG 30 -6.551 11.370 -5.679 211 H ILE 31 H ILE 31 -5.938 5.560 2.883 212 HA ILE 31 HA ILE 31 -8.415 5.546 4.450 213 HB ILE 31 HB ILE 31 -5.809 4.064 4.715 214 HG12 ILE 31 1HG1 ILE 31 -8.680 3.120 4.465 215 HG13 ILE 31 2HG1 ILE 31 -7.505 3.154 3.166 216 HG21 ILE 31 1HG2 ILE 31 -7.428 5.022 6.853 217 HG22 ILE 31 2HG2 ILE 31 -7.652 3.260 6.734 218 HG23 ILE 31 3HG2 ILE 31 -6.017 3.939 6.917 219 HD11 ILE 31 1HD1 ILE 31 -7.855 0.926 4.523 220 HD12 ILE 31 2HD1 ILE 31 -6.200 1.431 4.106 221 HD13 ILE 31 3HD1 ILE 31 -6.830 1.717 5.746 222 H GLU 32 H GLU 32 -8.638 6.835 6.263 223 HA GLU 32 HA GLU 32 -6.653 8.906 6.467 224 HB2 GLU 32 1HB GLU 32 -9.383 8.559 7.782 225 HB3 GLU 32 2HB GLU 32 -8.355 9.959 8.015 226 HG2 GLU 32 1HG GLU 32 -8.350 9.947 5.315 227 HG3 GLU 32 2HG GLU 32 -9.864 9.097 5.554 228 H LYS 33 H LYS 33 -5.018 8.847 7.944 229 HA LYS 33 HA LYS 33 -5.500 7.290 10.386 230 HB2 LYS 33 1HB LYS 33 -4.006 6.177 8.612 231 HB3 LYS 33 2HB LYS 33 -2.824 7.414 8.989 232 HG2 LYS 33 1HG LYS 33 -3.124 6.730 11.475 233 HG3 LYS 33 2HG LYS 33 -3.992 5.329 10.878 234 HD2 LYS 33 1HD LYS 33 -1.685 5.350 9.290 235 HD3 LYS 33 2HD LYS 33 -1.089 5.893 10.846 236 HE2 LYS 33 1HE LYS 33 -2.878 3.729 11.396 237 HE3 LYS 33 2HE LYS 33 -1.898 3.215 10.038 238 HZ1 LYS 33 1HZ LYS 33 -1.148 3.503 12.717 239 HZ2 LYS 33 2HZ LYS 33 -0.300 2.849 11.485 240 HZ3 LYS 33 3HZ LYS 33 -0.191 4.449 11.792 241 H ALA 34 H ALA 34 -4.584 8.141 12.312 242 HA ALA 34 HA ALA 34 -4.037 10.993 12.097 243 HB1 ALA 34 1HB ALA 34 -5.695 9.623 13.732 244 HB2 ALA 34 2HB ALA 34 -4.222 9.597 14.731 245 HB3 ALA 34 3HB ALA 34 -4.916 11.151 14.209 246 H ARG 35 H ARG 35 -2.324 11.815 13.774 247 HA ARG 35 HA ARG 35 0.071 10.462 13.074 248 HB2 ARG 35 1HB ARG 35 -0.146 12.799 15.016 249 HB3 ARG 35 2HB ARG 35 1.200 12.393 13.970 250 HG2 ARG 35 1HG ARG 35 -0.525 12.757 12.005 251 HG3 ARG 35 2HG ARG 35 -1.477 13.603 13.209 252 HD2 ARG 35 1HD ARG 35 1.404 14.375 13.150 253 HD3 ARG 35 2HD ARG 35 0.517 14.770 11.692 254 HE ARG 35 HE ARG 35 -0.783 16.327 12.900 255 HH11 ARG 35 2HH2 ARG 35 1.146 14.379 15.107 256 HH12 ARG 35 1HH2 ARG 35 0.816 15.380 16.482 257 HH21 ARG 35 2HH1 ARG 35 -1.217 17.648 14.714 258 HH22 ARG 35 1HH1 ARG 35 -0.537 17.252 16.256 259 H ASP 36 H ASP 36 -2.190 9.685 15.290 260 HA ASP 36 HA ASP 36 -0.198 8.568 17.051 261 HB2 ASP 36 1HB ASP 36 -1.448 10.840 17.874 262 HB3 ASP 36 2HB ASP 36 -2.668 9.679 18.358 263 H ILE 37 H ILE 37 -2.297 7.847 14.858 264 HA ILE 37 HA ILE 37 -3.898 5.990 16.475 265 HB ILE 37 HB ILE 37 -4.505 7.690 14.151 266 HG12 ILE 37 1HG1 ILE 37 -5.453 7.501 16.667 267 HG13 ILE 37 2HG1 ILE 37 -6.368 8.161 15.327 268 HG21 ILE 37 1HG2 ILE 37 -5.459 4.819 14.268 269 HG22 ILE 37 2HG2 ILE 37 -6.222 6.095 13.290 270 HG23 ILE 37 3HG2 ILE 37 -4.540 5.609 12.964 271 HD11 ILE 37 1HD1 ILE 37 -7.383 5.917 14.908 272 HD12 ILE 37 2HD1 ILE 37 -6.468 5.264 16.288 273 HD13 ILE 37 3HD1 ILE 37 -7.720 6.501 16.556 274 HA PRO 38 HA PRO 38 -1.402 2.974 14.577 275 HB2 PRO 38 1HB PRO 38 -2.500 0.780 15.780 276 HB3 PRO 38 2HB PRO 38 -1.254 1.759 16.527 277 HG2 PRO 38 1HG PRO 38 -4.146 1.662 17.132 278 HG3 PRO 38 2HG PRO 38 -2.839 2.291 18.116 279 HD2 PRO 38 1HD PRO 38 -4.726 3.819 16.590 280 HD3 PRO 38 2HD PRO 38 -3.350 4.440 17.480 281 H LEU 39 H LEU 39 -1.381 1.478 12.879 282 HA LEU 39 HA LEU 39 -3.494 1.828 11.107 283 HB2 LEU 39 1HB LEU 39 -1.140 1.213 10.574 284 HB3 LEU 39 2HB LEU 39 -1.460 -0.404 11.170 285 HG LEU 39 HG LEU 39 -3.006 -0.859 9.407 286 HD11 LEU 39 1HD1 LEU 39 -2.759 2.060 8.632 287 HD12 LEU 39 2HD1 LEU 39 -3.608 0.812 7.689 288 HD13 LEU 39 3HD1 LEU 39 -4.190 1.249 9.314 289 HD21 LEU 39 1HD2 LEU 39 -1.573 -0.913 7.561 290 HD22 LEU 39 2HD2 LEU 39 -0.782 0.617 8.007 291 HD23 LEU 39 3HD2 LEU 39 -0.476 -0.854 8.961 292 H GLY 40 H GLY 40 -2.618 -1.104 13.074 293 HA2 GLY 40 1HA GLY 40 -4.001 -2.570 14.120 294 HA3 GLY 40 2HA GLY 40 -5.392 -1.626 13.624 295 H ALA 41 H ALA 41 -2.808 -2.953 11.482 296 HA ALA 41 HA ALA 41 -4.644 -4.999 10.537 297 HB1 ALA 41 1HB ALA 41 -3.387 -2.976 8.646 298 HB2 ALA 41 2HB ALA 41 -4.541 -4.269 8.242 299 HB3 ALA 41 3HB ALA 41 -5.069 -2.879 9.220 300 H THR 42 H THR 42 -3.495 -6.860 10.495 301 HA THR 42 HA THR 42 -0.591 -6.673 10.436 302 HB THR 42 HB THR 42 -2.212 -9.226 10.681 303 HG1 THR 42 1HG THR 42 -1.645 -7.236 12.757 304 HG21 THR 42 1HG2 THR 42 0.168 -9.560 10.944 305 HG22 THR 42 2HG2 THR 42 0.336 -8.073 11.908 306 HG23 THR 42 3HG2 THR 42 -0.485 -9.492 12.599 307 H VAL 43 H VAL 43 0.735 -7.927 8.993 308 HA VAL 43 HA VAL 43 -0.637 -8.801 6.570 309 HB VAL 43 HB VAL 43 0.693 -7.511 5.137 310 HG11 VAL 43 1HG1 VAL 43 -1.126 -6.336 6.713 311 HG12 VAL 43 2HG1 VAL 43 0.299 -5.383 7.191 312 HG13 VAL 43 3HG1 VAL 43 -0.202 -5.439 5.484 313 HG21 VAL 43 1HG2 VAL 43 2.513 -7.375 7.435 314 HG22 VAL 43 2HG2 VAL 43 2.857 -7.284 5.691 315 HG23 VAL 43 3HG2 VAL 43 2.347 -5.825 6.574 316 H ARG 44 H ARG 44 0.719 -10.254 5.243 317 HA ARG 44 HA ARG 44 2.665 -11.558 6.965 318 HB2 ARG 44 1HB ARG 44 2.167 -13.424 5.028 319 HB3 ARG 44 2HB ARG 44 1.238 -13.313 6.510 320 HG2 ARG 44 1HG ARG 44 -0.431 -11.851 5.371 321 HG3 ARG 44 2HG ARG 44 0.507 -11.915 3.892 322 HD2 ARG 44 1HD ARG 44 -1.110 -13.595 3.527 323 HD3 ARG 44 2HD ARG 44 0.262 -14.525 4.096 324 HE ARG 44 HE ARG 44 -1.440 -13.654 6.294 325 HH11 ARG 44 2HH2 ARG 44 -1.080 -16.090 3.780 326 HH12 ARG 44 1HH2 ARG 44 -2.013 -17.281 4.622 327 HH21 ARG 44 2HH1 ARG 44 -2.672 -15.226 7.406 328 HH22 ARG 44 1HH1 ARG 44 -2.925 -16.786 6.698 329 H ASN 45 H ASN 45 4.528 -12.675 5.729 330 HA ASN 45 HA ASN 45 5.448 -10.801 3.734 331 HB2 ASN 45 1HB ASN 45 6.681 -12.256 5.872 332 HB3 ASN 45 2HB ASN 45 7.353 -12.922 4.397 333 HD21 ASN 45 1HD2 ASN 45 7.128 -10.628 2.765 334 HD22 ASN 45 2HD2 ASN 45 8.278 -9.443 3.289 335 H GLU 46 H GLU 46 4.649 -11.451 1.695 336 HA GLU 46 HA GLU 46 4.528 -14.263 1.119 337 HB2 GLU 46 1HB GLU 46 3.132 -11.917 0.253 338 HB3 GLU 46 2HB GLU 46 3.909 -12.593 -1.165 339 HG2 GLU 46 1HG GLU 46 1.958 -13.972 0.722 340 HG3 GLU 46 2HG GLU 46 1.753 -13.661 -0.991 341 H MET 47 H MET 47 5.372 -15.011 -1.122 342 HA MET 47 HA MET 47 7.863 -15.280 -1.358 343 HB2 MET 47 1HB MET 47 6.009 -14.303 -3.586 344 HB3 MET 47 2HB MET 47 7.639 -14.839 -3.941 345 HG2 MET 47 1HG MET 47 6.138 -16.724 -2.205 346 HG3 MET 47 2HG MET 47 5.401 -16.494 -3.778 347 HE1 MET 47 1HE MET 47 7.870 -17.758 -1.618 348 HE2 MET 47 2HE MET 47 8.736 -18.995 -2.560 349 HE3 MET 47 3HE MET 47 9.400 -17.349 -2.432 350 H ASP 48 H ASP 48 6.435 -12.215 -2.715 351 HA ASP 48 HA ASP 48 8.743 -10.810 -1.769 352 HB2 ASP 48 1HB ASP 48 7.998 -10.682 -4.725 353 HB3 ASP 48 2HB ASP 48 9.341 -9.865 -3.950 354 H SER 49 H SER 49 5.692 -11.010 -1.482 355 HA SER 49 HA SER 49 5.169 -8.206 -2.052 356 HB2 SER 49 1HB SER 49 3.291 -10.555 -2.549 357 HB3 SER 49 2HB SER 49 2.752 -8.887 -2.521 358 HG SER 49 HG SER 49 3.215 -9.597 -4.690 359 H VAL 50 H VAL 50 3.566 -7.221 -0.554 360 HA VAL 50 HA VAL 50 3.562 -8.651 2.002 361 HB VAL 50 HB VAL 50 3.148 -5.716 1.403 362 HG11 VAL 50 1HG1 VAL 50 2.602 -5.462 3.551 363 HG12 VAL 50 2HG1 VAL 50 2.581 -7.234 3.717 364 HG13 VAL 50 3HG1 VAL 50 4.070 -6.325 4.071 365 HG21 VAL 50 1HG2 VAL 50 5.364 -5.834 0.906 366 HG22 VAL 50 2HG2 VAL 50 5.523 -5.790 2.678 367 HG23 VAL 50 3HG2 VAL 50 5.603 -7.345 1.815 368 H ILE 51 H ILE 51 1.753 -10.002 1.749 369 HA ILE 51 HA ILE 51 -0.742 -8.699 0.997 370 HB ILE 51 HB ILE 51 0.198 -11.540 1.190 371 HG12 ILE 51 1HG1 ILE 51 -0.977 -11.449 -1.148 372 HG13 ILE 51 2HG1 ILE 51 -0.832 -9.712 -0.967 373 HG21 ILE 51 1HG2 ILE 51 -1.886 -11.695 2.303 374 HG22 ILE 51 2HG2 ILE 51 -2.667 -10.574 1.162 375 HG23 ILE 51 3HG2 ILE 51 -2.177 -12.197 0.620 376 HD11 ILE 51 1HD1 ILE 51 1.253 -10.001 -1.852 377 HD12 ILE 51 2HD1 ILE 51 1.699 -10.543 -0.216 378 HD13 ILE 51 3HD1 ILE 51 1.273 -11.739 -1.464 379 H ILE 52 H ILE 52 -2.580 -8.653 2.368 380 HA ILE 52 HA ILE 52 -2.006 -8.211 5.058 381 HB ILE 52 HB ILE 52 -4.639 -8.742 3.677 382 HG12 ILE 52 1HG1 ILE 52 -3.244 -6.857 2.766 383 HG13 ILE 52 2HG1 ILE 52 -4.830 -6.403 3.357 384 HG21 ILE 52 1HG2 ILE 52 -4.615 -9.016 6.195 385 HG22 ILE 52 2HG2 ILE 52 -4.207 -7.286 6.290 386 HG23 ILE 52 3HG2 ILE 52 -5.740 -7.799 5.546 387 HD11 ILE 52 1HD1 ILE 52 -2.866 -4.896 4.069 388 HD12 ILE 52 2HD1 ILE 52 -3.937 -5.458 5.374 389 HD13 ILE 52 3HD1 ILE 52 -2.356 -6.236 5.124 390 H SER 53 H SER 53 -2.462 -9.421 6.961 391 HA SER 53 HA SER 53 -2.800 -12.265 6.402 392 HB2 SER 53 1HB SER 53 -1.198 -12.813 8.024 393 HB3 SER 53 2HB SER 53 -0.506 -11.378 7.294 394 HG SER 53 HG SER 53 -1.636 -11.736 9.874 395 H ARG 54 H ARG 54 -3.352 -9.538 8.709 396 HA ARG 54 HA ARG 54 -5.852 -10.752 9.392 397 HB2 ARG 54 1HB ARG 54 -4.234 -11.693 11.073 398 HB3 ARG 54 2HB ARG 54 -3.787 -10.066 11.545 399 HG2 ARG 54 1HG ARG 54 -6.086 -9.601 12.307 400 HG3 ARG 54 2HG ARG 54 -6.636 -11.154 11.709 401 HD2 ARG 54 1HD ARG 54 -4.527 -11.918 13.344 402 HD3 ARG 54 2HD ARG 54 -5.133 -10.512 14.198 403 HE ARG 54 HE ARG 54 -6.451 -13.078 13.974 404 HH11 ARG 54 2HH2 ARG 54 -7.100 -9.626 14.175 405 HH12 ARG 54 1HH2 ARG 54 -8.675 -9.832 14.866 406 HH21 ARG 54 2HH1 ARG 54 -8.529 -13.351 14.886 407 HH22 ARG 54 1HH1 ARG 54 -9.493 -11.965 15.274 408 H ILE 55 H ILE 55 -7.247 -9.176 10.687 409 HA ILE 55 HA ILE 55 -6.301 -6.420 10.321 410 HB ILE 55 HB ILE 55 -9.006 -7.592 9.678 411 HG12 ILE 55 1HG1 ILE 55 -7.400 -7.926 7.909 412 HG13 ILE 55 2HG1 ILE 55 -8.547 -6.693 7.427 413 HG21 ILE 55 1HG2 ILE 55 -8.615 -4.752 9.090 414 HG22 ILE 55 2HG2 ILE 55 -9.996 -5.597 9.829 415 HG23 ILE 55 3HG2 ILE 55 -8.604 -5.121 10.831 416 HD11 ILE 55 1HD1 ILE 55 -6.727 -5.044 8.501 417 HD12 ILE 55 2HD1 ILE 55 -5.639 -6.408 8.152 418 HD13 ILE 55 3HD1 ILE 55 -6.558 -5.643 6.833 419 H VAL 56 H VAL 56 -6.212 -5.308 12.193 420 HA VAL 56 HA VAL 56 -7.370 -6.505 14.540 421 HB VAL 56 HB VAL 56 -5.923 -3.870 14.303 422 HG11 VAL 56 1HG1 VAL 56 -7.114 -4.556 16.451 423 HG12 VAL 56 2HG1 VAL 56 -5.905 -5.855 16.590 424 HG13 VAL 56 3HG1 VAL 56 -5.387 -4.152 16.595 425 HG21 VAL 56 1HG2 VAL 56 -4.135 -4.972 13.530 426 HG22 VAL 56 2HG2 VAL 56 -4.051 -5.767 15.120 427 HG23 VAL 56 3HG2 VAL 56 -4.911 -6.555 13.775 428 H LYS 57 H LYS 57 -9.038 -5.635 15.827 429 HA LYS 57 HA LYS 57 -10.918 -4.058 14.341 430 HB2 LYS 57 1HB LYS 57 -11.938 -5.765 15.534 431 HB3 LYS 57 2HB LYS 57 -10.918 -5.553 16.942 432 HG2 LYS 57 1HG LYS 57 -12.466 -3.119 16.337 433 HG3 LYS 57 2HG LYS 57 -13.506 -4.507 16.587 434 HD2 LYS 57 1HD LYS 57 -11.239 -3.932 18.523 435 HD3 LYS 57 2HD LYS 57 -12.758 -3.070 18.665 436 HE2 LYS 57 1HE LYS 57 -13.469 -5.810 18.329 437 HE3 LYS 57 2HE LYS 57 -12.124 -5.810 19.452 438 HZ1 LYS 57 1HZ LYS 57 -13.717 -5.329 20.909 439 HZ2 LYS 57 2HZ LYS 57 -13.582 -3.794 20.371 440 HZ3 LYS 57 3HZ LYS 57 -14.764 -4.760 19.793 441 H GLY 58 H GLY 58 -11.515 -1.922 14.681 442 HA2 GLY 58 1HA GLY 58 -11.529 0.123 15.708 443 HA3 GLY 58 2HA GLY 58 -10.433 -0.466 16.942 444 H GLY 59 H GLY 59 -9.160 -1.486 13.991 445 HA2 GLY 59 1HA GLY 59 -7.090 0.530 14.087 446 HA3 GLY 59 2HA GLY 59 -7.155 -0.898 13.073 447 H ALA 60 H ALA 60 -6.591 2.042 12.460 448 HA ALA 60 HA ALA 60 -8.637 3.300 11.173 449 HB1 ALA 60 1HB ALA 60 -6.814 4.643 11.104 450 HB2 ALA 60 2HB ALA 60 -5.686 3.266 11.075 451 HB3 ALA 60 3HB ALA 60 -6.451 3.822 9.567 452 H ALA 61 H ALA 61 -6.825 0.397 10.217 453 HA ALA 61 HA ALA 61 -7.568 0.434 7.499 454 HB1 ALA 61 1HB ALA 61 -7.068 -2.115 9.012 455 HB2 ALA 61 2HB ALA 61 -6.476 -1.608 7.411 456 HB3 ALA 61 3HB ALA 61 -5.753 -0.922 8.886 457 H GLU 62 H GLU 62 -8.873 -1.377 10.370 458 HA GLU 62 HA GLU 62 -10.976 -2.491 8.942 459 HB2 GLU 62 1HB GLU 62 -10.432 -3.547 10.984 460 HB3 GLU 62 2HB GLU 62 -10.396 -2.039 11.876 461 HG2 GLU 62 1HG GLU 62 -12.793 -1.851 11.880 462 HG3 GLU 62 2HG GLU 62 -12.974 -3.056 10.620 463 H LYS 63 H LYS 63 -10.758 0.468 11.020 464 HA LYS 63 HA LYS 63 -13.354 1.226 11.082 465 HB2 LYS 63 1HB LYS 63 -10.743 2.659 11.091 466 HB3 LYS 63 2HB LYS 63 -12.173 3.633 10.817 467 HG2 LYS 63 1HG LYS 63 -12.760 3.501 13.004 468 HG3 LYS 63 2HG LYS 63 -12.717 1.750 12.960 469 HD2 LYS 63 1HD LYS 63 -11.032 2.153 14.518 470 HD3 LYS 63 2HD LYS 63 -10.078 2.099 13.049 471 HE2 LYS 63 1HE LYS 63 -9.444 4.073 14.379 472 HE3 LYS 63 2HE LYS 63 -10.184 4.588 12.876 473 HZ1 LYS 63 1HZ LYS 63 -12.034 4.205 15.023 474 HZ2 LYS 63 2HZ LYS 63 -10.952 5.400 15.285 475 HZ3 LYS 63 3HZ LYS 63 -11.909 5.440 13.962 476 H SER 64 H SER 64 -11.026 2.448 8.568 477 HA SER 64 HA SER 64 -12.993 3.498 6.971 478 HB2 SER 64 1HB SER 64 -11.240 3.422 5.161 479 HB3 SER 64 2HB SER 64 -10.675 4.124 6.664 480 HG SER 64 HG SER 64 -10.176 1.447 5.686 481 H GLY 65 H GLY 65 -11.356 0.263 6.865 482 HA2 GLY 65 1HA GLY 65 -12.235 -1.728 6.191 483 HA3 GLY 65 2HA GLY 65 -13.713 -0.927 5.698 484 H LEU 66 H LEU 66 -10.284 -0.252 4.732 485 HA LEU 66 HA LEU 66 -11.122 -0.789 1.967 486 HB2 LEU 66 1HB LEU 66 -8.910 1.068 2.824 487 HB3 LEU 66 2HB LEU 66 -9.628 0.900 1.234 488 HG LEU 66 HG LEU 66 -10.895 2.112 3.701 489 HD11 LEU 66 1HD1 LEU 66 -9.999 3.245 1.044 490 HD12 LEU 66 2HD1 LEU 66 -11.052 4.118 2.183 491 HD13 LEU 66 3HD1 LEU 66 -9.406 3.650 2.673 492 HD21 LEU 66 1HD2 LEU 66 -12.654 2.625 1.672 493 HD22 LEU 66 2HD2 LEU 66 -12.152 0.957 1.306 494 HD23 LEU 66 3HD2 LEU 66 -12.843 1.350 2.899 495 H LEU 67 H LEU 67 -9.387 -1.979 4.597 496 HA LEU 67 HA LEU 67 -7.561 -3.391 2.780 497 HB2 LEU 67 1HB LEU 67 -7.051 -2.652 5.664 498 HB3 LEU 67 2HB LEU 67 -5.961 -3.518 4.599 499 HG LEU 67 HG LEU 67 -6.874 -0.805 3.737 500 HD11 LEU 67 1HD1 LEU 67 -4.914 0.156 5.061 501 HD12 LEU 67 2HD1 LEU 67 -6.399 -0.228 5.964 502 HD13 LEU 67 3HD1 LEU 67 -4.999 -1.325 6.045 503 HD21 LEU 67 1HD2 LEU 67 -5.442 -2.197 2.296 504 HD22 LEU 67 2HD2 LEU 67 -4.643 -0.685 2.787 505 HD23 LEU 67 3HD2 LEU 67 -4.199 -2.221 3.569 506 H HIS 68 H HIS 68 -7.842 -5.560 2.677 507 HA HIS 68 HA HIS 68 -9.164 -6.823 4.952 508 HB2 HIS 68 1HB HIS 68 -10.155 -6.604 2.181 509 HB3 HIS 68 2HB HIS 68 -10.174 -8.232 2.828 510 HD1 HIS 68 1HD HIS 68 -12.219 -8.829 4.133 511 HD2 HIS 68 2HD HIS 68 -11.532 -4.691 4.085 512 HE1 HIS 68 1HE HIS 68 -14.196 -7.762 5.342 513 H GLU 69 H GLU 69 -8.750 -9.183 5.074 514 HA GLU 69 HA GLU 69 -6.071 -9.710 4.613 515 HB2 GLU 69 1HB GLU 69 -8.361 -11.642 5.189 516 HB3 GLU 69 2HB GLU 69 -6.660 -12.042 5.323 517 HG2 GLU 69 1HG GLU 69 -6.377 -10.218 7.026 518 HG3 GLU 69 2HG GLU 69 -8.086 -9.850 6.905 519 H GLY 70 H GLY 70 -4.976 -10.445 2.834 520 HA2 GLY 70 1HA GLY 70 -4.859 -12.058 1.056 521 HA3 GLY 70 2HA GLY 70 -6.556 -11.776 0.720 522 H ASP 71 H ASP 71 -5.508 -8.749 1.526 523 HA ASP 71 HA ASP 71 -5.394 -7.994 -1.208 524 HB2 ASP 71 1HB ASP 71 -5.391 -6.583 1.462 525 HB3 ASP 71 2HB ASP 71 -4.847 -5.683 0.059 526 H GLU 72 H GLU 72 -3.513 -7.360 -2.361 527 HA GLU 72 HA GLU 72 -1.030 -7.742 -0.908 528 HB2 GLU 72 1HB GLU 72 -1.201 -9.152 -2.856 529 HB3 GLU 72 2HB GLU 72 -1.733 -7.822 -3.866 530 HG2 GLU 72 1HG GLU 72 0.455 -6.743 -3.732 531 HG3 GLU 72 2HG GLU 72 0.998 -7.872 -2.507 532 H VAL 73 H VAL 73 0.437 -6.076 -0.600 533 HA VAL 73 HA VAL 73 -0.432 -3.462 -1.580 534 HB VAL 73 HB VAL 73 1.634 -4.091 0.529 535 HG11 VAL 73 1HG1 VAL 73 1.526 -1.851 1.132 536 HG12 VAL 73 2HG1 VAL 73 1.367 -1.766 -0.639 537 HG13 VAL 73 3HG1 VAL 73 -0.076 -1.618 0.392 538 HG21 VAL 73 1HG2 VAL 73 -0.692 -3.227 1.824 539 HG22 VAL 73 2HG2 VAL 73 -1.252 -4.437 0.644 540 HG23 VAL 73 3HG2 VAL 73 -0.003 -4.868 1.837 541 H LEU 74 H LEU 74 0.924 -2.132 -2.816 542 HA LEU 74 HA LEU 74 3.453 -3.371 -3.638 543 HB2 LEU 74 1HB LEU 74 1.758 -1.837 -5.573 544 HB3 LEU 74 2HB LEU 74 3.059 -2.969 -5.887 545 HG LEU 74 HG LEU 74 0.537 -3.960 -4.593 546 HD11 LEU 74 1HD1 LEU 74 -0.116 -4.491 -7.096 547 HD12 LEU 74 2HD1 LEU 74 -0.572 -2.953 -6.323 548 HD13 LEU 74 3HD1 LEU 74 0.832 -3.018 -7.415 549 HD21 LEU 74 1HD2 LEU 74 2.539 -5.211 -6.494 550 HD22 LEU 74 2HD2 LEU 74 2.429 -5.479 -4.738 551 HD23 LEU 74 3HD2 LEU 74 1.111 -6.021 -5.805 552 H GLU 75 H GLU 75 1.440 -0.374 -3.421 553 HA GLU 75 HA GLU 75 3.861 1.001 -2.645 554 HB2 GLU 75 1HB GLU 75 2.676 1.299 -5.234 555 HB3 GLU 75 2HB GLU 75 2.321 2.769 -4.348 556 HG2 GLU 75 1HG GLU 75 4.743 3.002 -3.763 557 HG3 GLU 75 2HG GLU 75 5.099 1.531 -4.645 558 H ILE 76 H ILE 76 3.449 2.943 -1.364 559 HA ILE 76 HA ILE 76 0.664 3.433 -0.695 560 HB ILE 76 HB ILE 76 2.742 2.407 1.219 561 HG12 ILE 76 1HG1 ILE 76 -0.161 1.646 0.778 562 HG13 ILE 76 2HG1 ILE 76 1.209 0.809 0.074 563 HG21 ILE 76 1HG2 ILE 76 0.766 4.493 1.704 564 HG22 ILE 76 2HG2 ILE 76 0.535 3.079 2.759 565 HG23 ILE 76 3HG2 ILE 76 2.105 3.917 2.726 566 HD11 ILE 76 1HD1 ILE 76 1.282 1.251 3.044 567 HD12 ILE 76 2HD1 ILE 76 0.122 0.052 2.422 568 HD13 ILE 76 3HD1 ILE 76 1.861 -0.134 2.088 569 H ASN 77 H ASN 77 0.472 5.560 -1.153 570 HA ASN 77 HA ASN 77 0.811 7.702 -1.090 571 HB2 ASN 77 1HB ASN 77 2.326 6.785 1.280 572 HB3 ASN 77 2HB ASN 77 3.000 8.257 0.609 573 HD21 ASN 77 1HD2 ASN 77 2.320 9.239 2.588 574 HD22 ASN 77 2HD2 ASN 77 0.693 9.795 2.796 575 H GLY 78 H GLY 78 2.730 5.527 -2.455 576 HA2 GLY 78 1HA GLY 78 3.995 6.247 -4.385 577 HA3 GLY 78 2HA GLY 78 4.723 7.499 -3.398 578 H ILE 79 H ILE 79 4.885 5.604 -0.999 579 HA ILE 79 HA ILE 79 7.479 4.622 -1.591 580 HB ILE 79 HB ILE 79 5.666 4.299 0.801 581 HG12 ILE 79 1HG1 ILE 79 7.899 5.883 1.416 582 HG13 ILE 79 2HG1 ILE 79 7.375 6.446 -0.159 583 HG21 ILE 79 1HG2 ILE 79 8.614 3.857 0.972 584 HG22 ILE 79 2HG2 ILE 79 7.289 3.181 1.950 585 HG23 ILE 79 3HG2 ILE 79 7.599 2.551 0.314 586 HD11 ILE 79 1HD1 ILE 79 5.055 6.722 0.684 587 HD12 ILE 79 2HD1 ILE 79 5.565 6.118 2.279 588 HD13 ILE 79 3HD1 ILE 79 6.208 7.660 1.665 589 H GLU 80 H GLU 80 8.175 2.575 -2.114 590 HA GLU 80 HA GLU 80 6.182 0.837 -3.119 591 HB2 GLU 80 1HB GLU 80 8.174 0.874 -4.386 592 HB3 GLU 80 2HB GLU 80 9.202 0.800 -2.969 593 HG2 GLU 80 1HG GLU 80 8.421 -1.550 -2.541 594 HG3 GLU 80 2HG GLU 80 7.428 -1.472 -3.983 595 H ILE 81 H ILE 81 5.562 -1.243 -2.356 596 HA ILE 81 HA ILE 81 6.385 -1.756 0.418 597 HB ILE 81 HB ILE 81 3.767 -2.331 -0.974 598 HG12 ILE 81 1HG1 ILE 81 4.376 0.069 -0.221 599 HG13 ILE 81 2HG1 ILE 81 2.816 -0.595 0.225 600 HG21 ILE 81 1HG2 ILE 81 4.918 -3.278 1.615 601 HG22 ILE 81 2HG2 ILE 81 3.185 -2.874 1.549 602 HG23 ILE 81 3HG2 ILE 81 3.853 -4.110 0.456 603 HD11 ILE 81 1HD1 ILE 81 3.987 0.546 2.136 604 HD12 ILE 81 2HD1 ILE 81 3.628 -1.165 2.468 605 HD13 ILE 81 3HD1 ILE 81 5.280 -0.672 2.027 606 H ARG 82 H ARG 82 6.238 -2.894 -2.888 607 HA ARG 82 HA ARG 82 6.200 -5.580 -2.536 608 HB2 ARG 82 1HB ARG 82 6.503 -3.928 -4.679 609 HB3 ARG 82 2HB ARG 82 8.162 -4.475 -4.537 610 HG2 ARG 82 1HG ARG 82 7.197 -6.079 -5.983 611 HG3 ARG 82 2HG ARG 82 7.171 -6.886 -4.428 612 HD2 ARG 82 1HD ARG 82 4.810 -6.356 -4.099 613 HD3 ARG 82 2HD ARG 82 4.798 -5.282 -5.484 614 HE ARG 82 HE ARG 82 4.747 -8.231 -5.546 615 HH11 ARG 82 2HH2 ARG 82 5.216 -5.264 -7.379 616 HH12 ARG 82 1HH2 ARG 82 4.902 -6.009 -8.911 617 HH21 ARG 82 2HH1 ARG 82 4.333 -9.215 -7.567 618 HH22 ARG 82 1HH1 ARG 82 4.396 -8.272 -9.018 619 H GLY 83 H GLY 83 7.536 -6.985 -1.439 620 HA2 GLY 83 1HA GLY 83 9.536 -7.950 -0.859 621 HA3 GLY 83 2HA GLY 83 10.409 -6.550 -1.449 622 H LYS 84 H LYS 84 9.042 -4.454 -0.049 623 HA LYS 84 HA LYS 84 10.440 -4.199 2.219 624 HB2 LYS 84 1HB LYS 84 7.692 -3.180 1.489 625 HB3 LYS 84 2HB LYS 84 8.469 -2.724 2.992 626 HG2 LYS 84 1HG LYS 84 10.539 -2.281 1.253 627 HG3 LYS 84 2HG LYS 84 9.186 -1.984 0.180 628 HD2 LYS 84 1HD LYS 84 8.232 -0.391 1.912 629 HD3 LYS 84 2HD LYS 84 9.681 -0.623 2.870 630 HE2 LYS 84 1HE LYS 84 9.735 0.355 -0.023 631 HE3 LYS 84 2HE LYS 84 9.691 1.440 1.354 632 HZ1 LYS 84 1HZ LYS 84 11.929 0.737 0.384 633 HZ2 LYS 84 2HZ LYS 84 11.771 0.791 2.009 634 HZ3 LYS 84 3HZ LYS 84 11.725 -0.645 1.231 635 H ASP 85 H ASP 85 10.672 -5.364 4.044 636 HA ASP 85 HA ASP 85 9.189 -7.570 4.597 637 HB2 ASP 85 1HB ASP 85 11.428 -6.887 5.591 638 HB3 ASP 85 2HB ASP 85 10.576 -5.770 6.638 639 H VAL 86 H VAL 86 7.960 -7.799 6.905 640 HA VAL 86 HA VAL 86 5.648 -6.205 6.723 641 HB VAL 86 HB VAL 86 4.905 -7.449 8.638 642 HG11 VAL 86 1HG1 VAL 86 4.630 -8.828 6.820 643 HG12 VAL 86 2HG1 VAL 86 6.373 -8.899 6.466 644 HG13 VAL 86 3HG1 VAL 86 5.700 -9.843 7.817 645 HG21 VAL 86 1HG2 VAL 86 6.718 -7.394 10.151 646 HG22 VAL 86 2HG2 VAL 86 6.526 -9.109 9.719 647 HG23 VAL 86 3HG2 VAL 86 7.828 -8.147 8.981 648 H ASN 87 H ASN 87 8.502 -6.228 8.936 649 HA ASN 87 HA ASN 87 7.549 -4.324 10.674 650 HB2 ASN 87 1HB ASN 87 10.486 -4.430 9.905 651 HB3 ASN 87 2HB ASN 87 9.785 -4.220 11.497 652 HD21 ASN 87 1HD2 ASN 87 8.034 -6.171 11.820 653 HD22 ASN 87 2HD2 ASN 87 8.751 -7.744 11.717 654 H GLU 88 H GLU 88 9.572 -4.074 7.665 655 HA GLU 88 HA GLU 88 10.123 -1.425 7.722 656 HB2 GLU 88 1HB GLU 88 9.933 -3.533 5.662 657 HB3 GLU 88 2HB GLU 88 9.663 -1.927 5.014 658 HG2 GLU 88 1HG GLU 88 11.907 -1.917 6.900 659 HG3 GLU 88 2HG GLU 88 12.160 -3.115 5.646 660 H VAL 89 H VAL 89 7.203 -3.041 6.290 661 HA VAL 89 HA VAL 89 5.990 -0.685 5.415 662 HB VAL 89 HB VAL 89 5.068 -3.463 6.074 663 HG11 VAL 89 1HG1 VAL 89 3.370 -1.045 5.709 664 HG12 VAL 89 2HG1 VAL 89 2.886 -2.509 4.821 665 HG13 VAL 89 3HG1 VAL 89 3.046 -2.555 6.593 666 HG21 VAL 89 1HG2 VAL 89 5.733 -3.764 3.964 667 HG22 VAL 89 2HG2 VAL 89 4.380 -2.726 3.455 668 HG23 VAL 89 3HG2 VAL 89 5.989 -2.018 3.732 669 H PHE 90 H PHE 90 5.428 -2.644 8.427 670 HA PHE 90 HA PHE 90 3.562 -1.030 9.583 671 HB2 PHE 90 1HB PHE 90 5.971 -2.471 10.849 672 HB3 PHE 90 2HB PHE 90 4.515 -2.028 11.719 673 HD1 PHE 90 1HD PHE 90 2.683 -2.799 9.270 674 HD2 PHE 90 2HD PHE 90 5.736 -4.812 11.422 675 HE1 PHE 90 1HE PHE 90 1.652 -5.007 8.667 676 HE2 PHE 90 2HE PHE 90 4.706 -7.020 10.820 677 HZ PHE 90 HZ PHE 90 2.676 -7.091 9.450 678 H ASP 91 H ASP 91 7.174 -0.806 9.911 679 HA ASP 91 HA ASP 91 7.147 1.334 11.636 680 HB2 ASP 91 1HB ASP 91 9.068 -0.119 10.000 681 HB3 ASP 91 2HB ASP 91 9.417 1.596 9.908 682 H LEU 92 H LEU 92 6.888 1.061 8.075 683 HA LEU 92 HA LEU 92 7.418 3.740 7.450 684 HB2 LEU 92 1HB LEU 92 6.360 1.346 6.120 685 HB3 LEU 92 2HB LEU 92 5.729 2.851 5.483 686 HG LEU 92 HG LEU 92 8.671 2.749 5.865 687 HD11 LEU 92 1HD1 LEU 92 7.211 0.780 4.196 688 HD12 LEU 92 2HD1 LEU 92 8.595 1.598 3.433 689 HD13 LEU 92 3HD1 LEU 92 8.822 0.690 4.947 690 HD21 LEU 92 1HD2 LEU 92 8.488 3.773 3.513 691 HD22 LEU 92 2HD2 LEU 92 6.741 3.864 3.838 692 HD23 LEU 92 3HD2 LEU 92 7.889 4.721 4.894 693 H LEU 93 H LEU 93 4.191 2.065 7.409 694 HA LEU 93 HA LEU 93 2.630 4.261 7.252 695 HB2 LEU 93 1HB LEU 93 2.242 1.635 8.666 696 HB3 LEU 93 2HB LEU 93 0.980 2.851 8.637 697 HG LEU 93 HG LEU 93 0.874 0.992 6.895 698 HD11 LEU 93 1HD1 LEU 93 0.857 3.731 5.640 699 HD12 LEU 93 2HD1 LEU 93 -0.239 2.356 5.363 700 HD13 LEU 93 3HD1 LEU 93 -0.325 3.269 6.889 701 HD21 LEU 93 1HD2 LEU 93 3.173 0.893 6.208 702 HD22 LEU 93 2HD2 LEU 93 2.187 1.405 4.818 703 HD23 LEU 93 3HD2 LEU 93 3.151 2.603 5.714 704 H SER 94 H SER 94 3.635 2.691 10.377 705 HA SER 94 HA SER 94 2.565 4.333 12.128 706 HB2 SER 94 1HB SER 94 4.569 2.450 12.206 707 HB3 SER 94 2HB SER 94 5.466 3.889 12.648 708 HG SER 94 HG SER 94 4.677 3.549 14.609 709 H ASP 95 H ASP 95 5.724 4.981 10.444 710 HA ASP 95 HA ASP 95 6.184 7.420 11.610 711 HB2 ASP 95 1HB ASP 95 7.810 6.111 10.217 712 HB3 ASP 95 2HB ASP 95 6.881 6.495 8.782 713 H MET 96 H MET 96 4.431 6.475 8.579 714 HA MET 96 HA MET 96 3.867 9.157 7.880 715 HB2 MET 96 1HB MET 96 2.477 6.586 6.950 716 HB3 MET 96 2HB MET 96 2.533 8.107 6.080 717 HG2 MET 96 1HG MET 96 5.209 7.697 6.358 718 HG3 MET 96 2HG MET 96 4.680 6.028 6.417 719 HE1 MET 96 1HE MET 96 2.288 5.807 5.039 720 HE2 MET 96 2HE MET 96 2.278 6.056 3.277 721 HE3 MET 96 3HE MET 96 3.343 4.824 3.996 722 H HIS 97 H HIS 97 1.496 9.883 7.495 723 HA HIS 97 HA HIS 97 -0.470 8.709 9.175 724 HB2 HIS 97 1HB HIS 97 -0.733 10.933 10.494 725 HB3 HIS 97 2HB HIS 97 0.421 9.729 11.031 726 HD1 HIS 97 1HD HIS 97 0.860 12.394 8.306 727 HD2 HIS 97 2HD HIS 97 2.491 11.236 11.993 728 HE1 HIS 97 1HE HIS 97 2.872 13.911 8.705 729 H GLY 98 H GLY 98 -2.474 10.372 9.233 730 HA2 GLY 98 1HA GLY 98 -3.880 11.747 8.100 731 HA3 GLY 98 2HA GLY 98 -2.581 12.194 7.013 732 H THR 99 H THR 99 -4.423 12.008 5.382 733 HA THR 99 HA THR 99 -5.471 9.438 4.791 734 HB THR 99 HB THR 99 -5.271 11.989 3.104 735 HG1 THR 99 1HG THR 99 -6.331 12.325 5.155 736 HG21 THR 99 1HG2 THR 99 -7.061 11.137 1.818 737 HG22 THR 99 2HG2 THR 99 -6.101 9.663 2.089 738 HG23 THR 99 3HG2 THR 99 -7.543 9.980 3.082 739 H LEU 100 H LEU 100 -3.989 7.831 4.475 740 HA LEU 100 HA LEU 100 -1.809 8.367 2.629 741 HB2 LEU 100 1HB LEU 100 -2.249 5.719 3.924 742 HB3 LEU 100 2HB LEU 100 -0.755 6.537 3.510 743 HG LEU 100 HG LEU 100 -1.846 8.202 5.438 744 HD11 LEU 100 1HD1 LEU 100 -3.563 6.845 6.207 745 HD12 LEU 100 2HD1 LEU 100 -2.617 5.351 6.004 746 HD13 LEU 100 3HD1 LEU 100 -2.232 6.474 7.329 747 HD21 LEU 100 1HD2 LEU 100 0.381 7.939 5.705 748 HD22 LEU 100 2HD2 LEU 100 -0.132 6.734 6.911 749 HD23 LEU 100 3HD2 LEU 100 0.345 6.211 5.277 750 H THR 101 H THR 101 -1.540 7.313 0.633 751 HA THR 101 HA THR 101 -4.037 6.221 -0.432 752 HB THR 101 HB THR 101 -1.485 7.096 -1.877 753 HG1 THR 101 1HG THR 101 -4.002 8.455 -1.211 754 HG21 THR 101 1HG2 THR 101 -3.710 5.795 -2.895 755 HG22 THR 101 2HG2 THR 101 -4.206 7.499 -3.030 756 HG23 THR 101 3HG2 THR 101 -2.715 6.940 -3.825 757 H PHE 102 H PHE 102 -4.211 4.098 0.115 758 HA PHE 102 HA PHE 102 -1.856 2.434 -0.086 759 HB2 PHE 102 1HB PHE 102 -4.819 2.008 0.627 760 HB3 PHE 102 2HB PHE 102 -3.638 0.714 0.691 761 HD1 PHE 102 1HD PHE 102 -4.449 4.037 2.128 762 HD2 PHE 102 2HD PHE 102 -2.303 0.407 2.596 763 HE1 PHE 102 1HE PHE 102 -3.863 4.687 4.481 764 HE2 PHE 102 2HE PHE 102 -1.717 1.056 4.949 765 HZ PHE 102 HZ PHE 102 -2.504 3.188 5.863 766 H VAL 103 H VAL 103 -1.267 1.467 -1.964 767 HA VAL 103 HA VAL 103 -3.377 1.050 -3.958 768 HB VAL 103 HB VAL 103 -0.399 1.048 -4.422 769 HG11 VAL 103 1HG1 VAL 103 -1.158 0.329 -6.417 770 HG12 VAL 103 2HG1 VAL 103 -2.825 0.857 -6.086 771 HG13 VAL 103 3HG1 VAL 103 -1.621 2.028 -6.674 772 HG21 VAL 103 1HG2 VAL 103 -2.254 3.358 -4.029 773 HG22 VAL 103 2HG2 VAL 103 -0.522 3.200 -3.652 774 HG23 VAL 103 3HG2 VAL 103 -1.047 3.473 -5.331 775 H LEU 104 H LEU 104 -4.229 -0.940 -3.313 776 HA LEU 104 HA LEU 104 -2.364 -3.164 -3.632 777 HB2 LEU 104 1HB LEU 104 -3.777 -4.232 -1.702 778 HB3 LEU 104 2HB LEU 104 -2.347 -3.272 -1.379 779 HG LEU 104 HG LEU 104 -4.318 -1.356 -1.333 780 HD11 LEU 104 1HD1 LEU 104 -6.229 -2.122 -0.187 781 HD12 LEU 104 2HD1 LEU 104 -5.991 -3.262 -1.534 782 HD13 LEU 104 3HD1 LEU 104 -5.510 -3.722 0.118 783 HD21 LEU 104 1HD2 LEU 104 -2.404 -1.783 0.251 784 HD22 LEU 104 2HD2 LEU 104 -3.919 -1.230 1.004 785 HD23 LEU 104 3HD2 LEU 104 -3.457 -2.947 1.091 786 H ILE 105 H ILE 105 -3.547 -5.247 -4.080 787 HA ILE 105 HA ILE 105 -5.961 -4.608 -5.615 788 HB ILE 105 HB ILE 105 -4.100 -6.967 -5.903 789 HG12 ILE 105 1HG1 ILE 105 -4.073 -4.907 -8.003 790 HG13 ILE 105 2HG1 ILE 105 -3.444 -4.349 -6.466 791 HG21 ILE 105 1HG2 ILE 105 -5.933 -5.983 -8.050 792 HG22 ILE 105 2HG2 ILE 105 -5.318 -7.621 -7.727 793 HG23 ILE 105 3HG2 ILE 105 -6.612 -6.940 -6.712 794 HD11 ILE 105 1HD1 ILE 105 -1.765 -5.471 -8.079 795 HD12 ILE 105 2HD1 ILE 105 -1.762 -6.048 -6.395 796 HD13 ILE 105 3HD1 ILE 105 -2.567 -7.004 -7.663 797 HA PRO 106 HA PRO 106 -8.073 -6.906 -2.581 798 HB2 PRO 106 1HB PRO 106 -10.593 -6.616 -3.598 799 HB3 PRO 106 2HB PRO 106 -9.832 -5.421 -2.567 800 HG2 PRO 106 1HG PRO 106 -10.277 -5.336 -5.488 801 HG3 PRO 106 2HG PRO 106 -9.920 -4.015 -4.393 802 HD2 PRO 106 1HD PRO 106 -8.095 -5.280 -6.210 803 HD3 PRO 106 2HD PRO 106 -7.712 -4.039 -5.033 804 H SER 107 H SER 107 -7.798 -9.030 -2.379 805 HA SER 107 HA SER 107 -7.974 -10.593 -4.719 806 HB2 SER 107 1HB SER 107 -6.397 -11.178 -2.949 807 HB3 SER 107 2HB SER 107 -7.688 -11.318 -1.772 808 HG SER 107 HG SER 107 -6.745 -13.336 -2.980 809 H SER 108 H SER 108 -10.211 -10.119 -5.407 810 HA SER 108 HA SER 108 -12.324 -10.857 -3.668 811 HB2 SER 108 1HB SER 108 -12.079 -9.861 -6.500 812 HB3 SER 108 2HB SER 108 -13.584 -10.625 -6.029 813 HG SER 108 HG SER 108 -13.877 -9.072 -4.379 814 H GLY 109 H GLY 109 -10.853 -13.081 -3.582 815 HA2 GLY 109 1HA GLY 109 -11.072 -14.953 -5.636 816 HA3 GLY 109 2HA GLY 109 -10.850 -15.300 -3.933 817 HA PRO 110 HA PRO 110 -15.423 -15.630 -5.231 818 HB2 PRO 110 1HB PRO 110 -15.768 -16.893 -7.630 819 HB3 PRO 110 2HB PRO 110 -15.858 -15.153 -7.441 820 HG2 PRO 110 1HG PRO 110 -13.685 -16.780 -8.612 821 HG3 PRO 110 2HG PRO 110 -13.990 -15.064 -8.792 822 HD2 PRO 110 1HD PRO 110 -11.995 -16.288 -7.135 823 HD3 PRO 110 2HD PRO 110 -12.377 -14.580 -7.228 824 H SER 111 H SER 111 -16.943 -17.588 -5.431 825 HA SER 111 HA SER 111 -15.368 -19.960 -4.875 826 HB2 SER 111 1HB SER 111 -16.266 -18.619 -2.762 827 HB3 SER 111 2HB SER 111 -17.795 -19.369 -3.173 828 HG SER 111 HG SER 111 -15.546 -21.094 -3.128 829 H SER 112 H SER 112 -16.382 -21.917 -5.555 830 HA SER 112 HA SER 112 -18.273 -21.608 -7.571 831 HB2 SER 112 1HB SER 112 -16.604 -23.688 -6.506 832 HB3 SER 112 2HB SER 112 -18.232 -24.330 -6.600 833 HG SER 112 HG SER 112 -18.314 -23.823 -8.834 834 H GLY 113 H GLY 113 -20.524 -21.853 -7.596 835 HA2 GLY 113 1HA GLY 113 -21.906 -23.038 -5.355 836 HA3 GLY 113 2HA GLY 113 -22.076 -21.296 -5.454 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -16.922 37.172 -32.278 2 HA2 GLY 1 1HA GLY 1 -16.200 35.335 -30.923 3 HA3 GLY 1 2HA GLY 1 -17.029 34.233 -32.004 4 H SER 2 H SER 2 -14.604 33.375 -31.729 5 HA SER 2 HA SER 2 -13.350 34.075 -34.208 6 HB2 SER 2 1HB SER 2 -12.355 35.626 -32.453 7 HB3 SER 2 2HB SER 2 -11.748 34.211 -31.617 8 HG SER 2 HG SER 2 -10.054 34.826 -32.913 9 H SER 3 H SER 3 -11.348 32.516 -34.544 10 HA SER 3 HA SER 3 -11.871 30.032 -33.121 11 HB2 SER 3 1HB SER 3 -12.925 30.092 -35.448 12 HB3 SER 3 2HB SER 3 -11.307 30.205 -36.111 13 HG SER 3 HG SER 3 -11.722 28.118 -34.241 14 H GLY 4 H GLY 4 -10.005 28.976 -32.432 15 HA2 GLY 4 1HA GLY 4 -7.761 28.317 -32.731 16 HA3 GLY 4 2HA GLY 4 -7.447 29.776 -33.650 17 H SER 5 H SER 5 -6.648 28.356 -30.829 18 HA SER 5 HA SER 5 -6.094 30.896 -29.629 19 HB2 SER 5 1HB SER 5 -7.649 28.776 -28.080 20 HB3 SER 5 2HB SER 5 -7.047 30.284 -27.422 21 HG SER 5 HG SER 5 -8.690 31.366 -28.299 22 H SER 6 H SER 6 -4.706 30.470 -27.511 23 HA SER 6 HA SER 6 -2.582 28.867 -28.291 24 HB2 SER 6 1HB SER 6 -3.179 30.760 -26.220 25 HB3 SER 6 2HB SER 6 -2.531 29.334 -25.435 26 HG SER 6 HG SER 6 -1.066 31.182 -26.458 27 H GLY 7 H GLY 7 -1.609 27.093 -26.762 28 HA2 GLY 7 1HA GLY 7 -3.208 24.857 -26.752 29 HA3 GLY 7 2HA GLY 7 -1.772 25.080 -25.772 30 HA PRO 8 HA PRO 8 -5.517 24.930 -23.078 31 HB2 PRO 8 1HB PRO 8 -5.265 22.423 -22.020 32 HB3 PRO 8 2HB PRO 8 -6.317 22.791 -23.373 33 HG2 PRO 8 1HG PRO 8 -3.703 21.409 -23.380 34 HG3 PRO 8 2HG PRO 8 -4.946 21.413 -24.615 35 HD2 PRO 8 1HD PRO 8 -2.488 22.890 -24.651 36 HD3 PRO 8 2HD PRO 8 -3.782 22.982 -25.828 37 H ILE 9 H ILE 9 -5.530 24.085 -20.568 38 HA ILE 9 HA ILE 9 -3.019 25.249 -19.593 39 HB ILE 9 HB ILE 9 -5.838 25.300 -18.549 40 HG12 ILE 9 1HG1 ILE 9 -3.860 27.543 -19.034 41 HG13 ILE 9 2HG1 ILE 9 -5.034 27.007 -20.219 42 HG21 ILE 9 1HG2 ILE 9 -5.078 26.244 -16.478 43 HG22 ILE 9 2HG2 ILE 9 -4.281 24.670 -16.708 44 HG23 ILE 9 3HG2 ILE 9 -3.381 26.175 -17.010 45 HD11 ILE 9 1HD1 ILE 9 -6.338 28.619 -19.224 46 HD12 ILE 9 2HD1 ILE 9 -6.688 27.309 -18.072 47 HD13 ILE 9 3HD1 ILE 9 -5.452 28.530 -17.683 48 H THR 10 H THR 10 -2.091 24.323 -17.612 49 HA THR 10 HA THR 10 -1.275 22.579 -16.497 50 HB THR 10 HB THR 10 -4.176 21.597 -16.605 51 HG1 THR 10 1HG THR 10 -2.642 23.438 -14.908 52 HG21 THR 10 1HG2 THR 10 -1.770 21.037 -14.849 53 HG22 THR 10 2HG2 THR 10 -3.385 21.081 -14.102 54 HG23 THR 10 3HG2 THR 10 -3.037 19.915 -15.402 55 H ASP 11 H ASP 11 -0.722 20.238 -16.531 56 HA ASP 11 HA ASP 11 -0.934 19.312 -19.286 57 HB2 ASP 11 1HB ASP 11 1.172 18.457 -17.262 58 HB3 ASP 11 2HB ASP 11 1.217 18.243 -19.000 59 H GLU 12 H GLU 12 -2.522 17.699 -19.322 60 HA GLU 12 HA GLU 12 -2.934 16.130 -16.959 61 HB2 GLU 12 1HB GLU 12 -4.601 17.068 -18.968 62 HB3 GLU 12 2HB GLU 12 -4.415 15.385 -19.418 63 HG2 GLU 12 1HG GLU 12 -5.104 14.672 -17.139 64 HG3 GLU 12 2HG GLU 12 -5.223 16.345 -16.632 65 H ARG 13 H ARG 13 -0.532 15.359 -17.325 66 HA ARG 13 HA ARG 13 -0.782 12.789 -18.582 67 HB2 ARG 13 1HB ARG 13 1.751 13.388 -19.442 68 HB3 ARG 13 2HB ARG 13 0.327 13.569 -20.447 69 HG2 ARG 13 1HG ARG 13 0.120 15.965 -19.534 70 HG3 ARG 13 2HG ARG 13 1.694 15.741 -18.798 71 HD2 ARG 13 1HD ARG 13 2.808 15.888 -20.810 72 HD3 ARG 13 2HD ARG 13 1.587 14.976 -21.674 73 HE ARG 13 HE ARG 13 1.630 17.897 -21.253 74 HH11 ARG 13 2HH2 ARG 13 -0.250 15.100 -22.265 75 HH12 ARG 13 1HH2 ARG 13 -1.396 16.037 -23.165 76 HH21 ARG 13 2HH1 ARG 13 0.118 19.133 -22.440 77 HH22 ARG 13 1HH1 ARG 13 -1.185 18.346 -23.266 78 H VAL 14 H VAL 14 -0.444 14.198 -15.836 79 HA VAL 14 HA VAL 14 1.965 12.721 -15.024 80 HB VAL 14 HB VAL 14 0.831 15.319 -13.976 81 HG11 VAL 14 1HG1 VAL 14 3.272 14.945 -12.738 82 HG12 VAL 14 2HG1 VAL 14 1.676 14.688 -11.993 83 HG13 VAL 14 3HG1 VAL 14 2.558 13.315 -12.704 84 HG21 VAL 14 1HG2 VAL 14 2.171 15.411 -16.098 85 HG22 VAL 14 2HG2 VAL 14 2.870 16.333 -14.744 86 HG23 VAL 14 3HG2 VAL 14 3.552 14.750 -15.190 87 H TYR 15 H TYR 15 -1.058 12.066 -15.316 88 HA TYR 15 HA TYR 15 -2.455 11.944 -13.051 89 HB2 TYR 15 1HB TYR 15 -1.744 9.867 -15.194 90 HB3 TYR 15 2HB TYR 15 -2.922 9.470 -13.958 91 HD1 TYR 15 2HD TYR 15 -2.212 11.748 -16.800 92 HD2 TYR 15 1HD TYR 15 -5.164 10.304 -14.061 93 HE1 TYR 15 2HE TYR 15 -4.041 12.853 -18.178 94 HE2 TYR 15 1HE TYR 15 -6.983 11.414 -15.447 95 HH TYR 15 HH TYR 15 -7.450 12.562 -17.210 96 H GLU 16 H GLU 16 -2.507 10.848 -11.089 97 HA GLU 16 HA GLU 16 -0.004 9.843 -10.228 98 HB2 GLU 16 1HB GLU 16 -1.957 11.144 -8.939 99 HB3 GLU 16 2HB GLU 16 -2.522 9.520 -8.602 100 HG2 GLU 16 1HG GLU 16 -1.079 9.635 -6.826 101 HG3 GLU 16 2HG GLU 16 0.138 9.214 -8.015 102 H SER 17 H SER 17 -1.550 7.860 -8.363 103 HA SER 17 HA SER 17 -0.865 5.582 -9.727 104 HB2 SER 17 1HB SER 17 -3.021 5.684 -7.585 105 HB3 SER 17 2HB SER 17 -1.899 4.379 -7.917 106 HG SER 17 HG SER 17 -1.427 6.886 -6.614 107 H ILE 18 H ILE 18 -1.768 4.793 -11.593 108 HA ILE 18 HA ILE 18 -4.604 5.332 -12.046 109 HB ILE 18 HB ILE 18 -2.321 4.589 -13.867 110 HG12 ILE 18 1HG1 ILE 18 -3.801 6.875 -14.707 111 HG13 ILE 18 2HG1 ILE 18 -3.475 7.067 -12.996 112 HG21 ILE 18 1HG2 ILE 18 -5.203 4.963 -14.708 113 HG22 ILE 18 2HG2 ILE 18 -3.818 4.470 -15.712 114 HG23 ILE 18 3HG2 ILE 18 -4.443 3.373 -14.458 115 HD11 ILE 18 1HD1 ILE 18 -1.415 6.473 -15.168 116 HD12 ILE 18 2HD1 ILE 18 -1.608 7.999 -14.273 117 HD13 ILE 18 3HD1 ILE 18 -1.049 6.536 -13.428 118 H GLY 19 H GLY 19 -6.104 3.669 -12.436 119 HA2 GLY 19 1HA GLY 19 -5.496 1.183 -11.146 120 HA3 GLY 19 2HA GLY 19 -7.006 1.663 -11.893 121 H HIS 20 H HIS 20 -3.580 1.025 -12.957 122 HA HIS 20 HA HIS 20 -4.258 -1.182 -14.496 123 HB2 HIS 20 1HB HIS 20 -5.433 0.685 -15.796 124 HB3 HIS 20 2HB HIS 20 -3.834 1.261 -16.224 125 HD1 HIS 20 1HD HIS 20 -6.246 -0.240 -17.998 126 HD2 HIS 20 2HD HIS 20 -2.430 -1.646 -16.971 127 HE1 HIS 20 1HE HIS 20 -5.654 -2.026 -19.721 128 H TYR 21 H TYR 21 -2.334 -0.996 -12.696 129 HA TYR 21 HA TYR 21 0.097 0.110 -13.589 130 HB2 TYR 21 1HB TYR 21 -0.905 -1.980 -11.595 131 HB3 TYR 21 2HB TYR 21 0.824 -1.801 -11.816 132 HD1 TYR 21 2HD TYR 21 -1.494 1.070 -12.034 133 HD2 TYR 21 1HD TYR 21 1.256 -1.072 -9.553 134 HE1 TYR 21 2HE TYR 21 -1.476 2.998 -10.376 135 HE2 TYR 21 1HE TYR 21 1.264 0.863 -7.903 136 HH TYR 21 HH TYR 21 -0.705 2.828 -7.426 137 H GLY 22 H GLY 22 0.860 -0.503 -15.596 138 HA2 GLY 22 1HA GLY 22 2.055 -1.847 -16.978 139 HA3 GLY 22 2HA GLY 22 1.921 -3.161 -15.827 140 H GLY 23 H GLY 23 -0.459 -4.074 -15.581 141 HA2 GLY 23 1HA GLY 23 -2.007 -3.908 -18.040 142 HA3 GLY 23 2HA GLY 23 -1.240 -5.450 -17.718 143 H GLU 24 H GLU 24 -1.395 -5.562 -14.873 144 HA GLU 24 HA GLU 24 -3.960 -6.538 -14.580 145 HB2 GLU 24 1HB GLU 24 -1.567 -6.612 -13.136 146 HB3 GLU 24 2HB GLU 24 -2.651 -5.766 -12.051 147 HG2 GLU 24 1HG GLU 24 -3.594 -7.747 -11.487 148 HG3 GLU 24 2HG GLU 24 -4.181 -7.913 -13.130 149 H THR 25 H THR 25 -4.764 -5.567 -11.967 150 HA THR 25 HA THR 25 -5.291 -2.727 -12.426 151 HB THR 25 HB THR 25 -7.768 -3.539 -11.670 152 HG1 THR 25 1HG THR 25 -6.417 -5.669 -13.173 153 HG21 THR 25 1HG2 THR 25 -6.842 -2.484 -13.976 154 HG22 THR 25 2HG2 THR 25 -7.090 -4.151 -14.549 155 HG23 THR 25 3HG2 THR 25 -8.459 -3.223 -13.889 156 H VAL 26 H VAL 26 -4.867 -1.585 -10.650 157 HA VAL 26 HA VAL 26 -4.855 -3.073 -8.121 158 HB VAL 26 HB VAL 26 -3.384 -1.128 -7.401 159 HG11 VAL 26 1HG1 VAL 26 -2.105 -2.995 -7.594 160 HG12 VAL 26 2HG1 VAL 26 -2.698 -3.368 -9.230 161 HG13 VAL 26 3HG1 VAL 26 -1.447 -2.123 -8.999 162 HG21 VAL 26 1HG2 VAL 26 -2.533 -0.661 -10.185 163 HG22 VAL 26 2HG2 VAL 26 -4.138 -0.002 -9.785 164 HG23 VAL 26 3HG2 VAL 26 -2.714 0.479 -8.830 165 H LYS 27 H LYS 27 -6.066 -2.340 -6.375 166 HA LYS 27 HA LYS 27 -7.966 -0.225 -7.053 167 HB2 LYS 27 1HB LYS 27 -8.632 -2.633 -6.336 168 HB3 LYS 27 2HB LYS 27 -8.202 -2.116 -4.718 169 HG2 LYS 27 1HG LYS 27 -9.746 0.022 -5.631 170 HG3 LYS 27 2HG LYS 27 -10.533 -1.351 -6.382 171 HD2 LYS 27 1HD LYS 27 -10.987 -2.400 -4.282 172 HD3 LYS 27 2HD LYS 27 -9.798 -1.429 -3.436 173 HE2 LYS 27 1HE LYS 27 -11.314 0.215 -3.019 174 HE3 LYS 27 2HE LYS 27 -11.779 0.304 -4.706 175 HZ1 LYS 27 1HZ LYS 27 -13.035 -1.094 -2.566 176 HZ2 LYS 27 2HZ LYS 27 -13.665 -0.571 -3.979 177 HZ3 LYS 27 3HZ LYS 27 -12.880 -2.002 -3.915 178 H ILE 28 H ILE 28 -7.523 1.779 -6.326 179 HA ILE 28 HA ILE 28 -5.627 2.065 -4.161 180 HB ILE 28 HB ILE 28 -6.965 4.006 -6.041 181 HG12 ILE 28 1HG1 ILE 28 -4.393 4.304 -6.565 182 HG13 ILE 28 2HG1 ILE 28 -4.272 2.693 -5.885 183 HG21 ILE 28 1HG2 ILE 28 -6.701 5.475 -4.342 184 HG22 ILE 28 2HG2 ILE 28 -5.467 4.487 -3.524 185 HG23 ILE 28 3HG2 ILE 28 -5.020 5.488 -4.927 186 HD11 ILE 28 1HD1 ILE 28 -5.282 1.724 -7.688 187 HD12 ILE 28 2HD1 ILE 28 -6.530 2.989 -7.780 188 HD13 ILE 28 3HD1 ILE 28 -4.932 3.261 -8.515 189 H VAL 29 H VAL 29 -6.065 3.139 -2.170 190 HA VAL 29 HA VAL 29 -8.813 3.830 -1.607 191 HB VAL 29 HB VAL 29 -8.407 2.290 0.552 192 HG11 VAL 29 1HG1 VAL 29 -10.431 2.259 -0.756 193 HG12 VAL 29 2HG1 VAL 29 -9.604 1.446 -2.106 194 HG13 VAL 29 3HG1 VAL 29 -9.857 0.585 -0.569 195 HG21 VAL 29 1HG2 VAL 29 -7.129 0.434 0.260 196 HG22 VAL 29 2HG2 VAL 29 -7.464 0.342 -1.486 197 HG23 VAL 29 3HG2 VAL 29 -6.255 1.495 -0.871 198 H ARG 30 H ARG 30 -8.700 5.748 -0.570 199 HA ARG 30 HA ARG 30 -6.197 6.406 0.677 200 HB2 ARG 30 1HB ARG 30 -8.704 8.009 0.000 201 HB3 ARG 30 2HB ARG 30 -7.397 8.701 0.940 202 HG2 ARG 30 1HG ARG 30 -5.888 8.669 -0.861 203 HG3 ARG 30 2HG ARG 30 -6.698 7.336 -1.659 204 HD2 ARG 30 1HD ARG 30 -8.680 9.300 -1.650 205 HD3 ARG 30 2HD ARG 30 -7.223 10.250 -1.860 206 HE ARG 30 HE ARG 30 -7.120 7.971 -3.609 207 HH11 ARG 30 2HH2 ARG 30 -8.785 11.048 -3.230 208 HH12 ARG 30 1HH2 ARG 30 -9.087 11.239 -4.925 209 HH21 ARG 30 2HH1 ARG 30 -7.519 8.223 -5.845 210 HH22 ARG 30 1HH1 ARG 30 -8.362 9.621 -6.422 211 H ILE 31 H ILE 31 -5.966 5.759 2.803 212 HA ILE 31 HA ILE 31 -8.365 5.790 4.480 213 HB ILE 31 HB ILE 31 -5.742 4.323 4.643 214 HG12 ILE 31 1HG1 ILE 31 -8.612 3.348 4.555 215 HG13 ILE 31 2HG1 ILE 31 -7.526 3.408 3.181 216 HG21 ILE 31 1HG2 ILE 31 -7.424 3.484 6.751 217 HG22 ILE 31 2HG2 ILE 31 -5.843 4.294 6.857 218 HG23 ILE 31 3HG2 ILE 31 -7.338 5.259 6.840 219 HD11 ILE 31 1HD1 ILE 31 -7.748 1.168 4.544 220 HD12 ILE 31 2HD1 ILE 31 -6.132 1.704 4.023 221 HD13 ILE 31 3HD1 ILE 31 -6.660 1.970 5.702 222 H GLU 32 H GLU 32 -8.508 7.067 6.316 223 HA GLU 32 HA GLU 32 -6.530 9.156 6.419 224 HB2 GLU 32 1HB GLU 32 -9.179 8.830 7.896 225 HB3 GLU 32 2HB GLU 32 -8.162 10.255 7.969 226 HG2 GLU 32 1HG GLU 32 -8.343 10.303 5.367 227 HG3 GLU 32 2HG GLU 32 -9.647 9.148 5.554 228 H LYS 33 H LYS 33 -4.839 9.107 7.833 229 HA LYS 33 HA LYS 33 -5.200 7.484 10.256 230 HB2 LYS 33 1HB LYS 33 -3.173 7.347 8.159 231 HB3 LYS 33 2HB LYS 33 -2.460 7.591 9.740 232 HG2 LYS 33 1HG LYS 33 -3.805 5.666 10.632 233 HG3 LYS 33 2HG LYS 33 -4.485 5.413 9.037 234 HD2 LYS 33 1HD LYS 33 -2.732 3.982 8.727 235 HD3 LYS 33 2HD LYS 33 -1.791 5.433 8.443 236 HE2 LYS 33 1HE LYS 33 -0.651 4.037 10.114 237 HE3 LYS 33 2HE LYS 33 -1.189 5.523 10.870 238 HZ1 LYS 33 1HZ LYS 33 -3.256 3.715 11.081 239 HZ2 LYS 33 2HZ LYS 33 -1.902 2.908 11.507 240 HZ3 LYS 33 3HZ LYS 33 -2.308 4.287 12.282 241 H ALA 34 H ALA 34 -5.018 8.580 12.140 242 HA ALA 34 HA ALA 34 -4.522 11.370 12.066 243 HB1 ALA 34 1HB ALA 34 -5.997 9.841 13.649 244 HB2 ALA 34 2HB ALA 34 -4.495 9.742 14.598 245 HB3 ALA 34 3HB ALA 34 -5.240 11.326 14.275 246 H ARG 35 H ARG 35 -2.902 12.302 13.828 247 HA ARG 35 HA ARG 35 -0.361 11.370 12.969 248 HB2 ARG 35 1HB ARG 35 -0.960 13.516 15.060 249 HB3 ARG 35 2HB ARG 35 0.516 13.340 14.132 250 HG2 ARG 35 1HG ARG 35 -1.127 13.565 12.040 251 HG3 ARG 35 2HG ARG 35 -2.198 14.309 13.210 252 HD2 ARG 35 1HD ARG 35 0.697 15.202 12.839 253 HD3 ARG 35 2HD ARG 35 -0.630 15.908 11.938 254 HE ARG 35 HE ARG 35 -0.050 16.290 14.793 255 HH11 ARG 35 2HH2 ARG 35 -2.486 16.539 12.266 256 HH12 ARG 35 1HH2 ARG 35 -3.440 17.703 13.124 257 HH21 ARG 35 2HH1 ARG 35 -1.308 17.826 15.925 258 HH22 ARG 35 1HH1 ARG 35 -2.766 18.440 15.219 259 H ASP 36 H ASP 36 -2.174 9.702 14.818 260 HA ASP 36 HA ASP 36 -0.126 8.713 16.422 261 HB2 ASP 36 1HB ASP 36 -1.358 10.913 17.594 262 HB3 ASP 36 2HB ASP 36 -2.301 9.591 18.252 263 H ILE 37 H ILE 37 -2.117 7.852 14.446 264 HA ILE 37 HA ILE 37 -3.759 6.084 16.125 265 HB ILE 37 HB ILE 37 -4.421 7.730 13.754 266 HG12 ILE 37 1HG1 ILE 37 -5.223 7.695 16.357 267 HG13 ILE 37 2HG1 ILE 37 -6.127 8.413 15.038 268 HG21 ILE 37 1HG2 ILE 37 -6.282 6.150 13.154 269 HG22 ILE 37 2HG2 ILE 37 -4.649 5.607 12.701 270 HG23 ILE 37 3HG2 ILE 37 -5.454 4.911 14.127 271 HD11 ILE 37 1HD1 ILE 37 -6.447 5.507 15.916 272 HD12 ILE 37 2HD1 ILE 37 -7.490 6.839 16.471 273 HD13 ILE 37 3HD1 ILE 37 -7.462 6.389 14.749 274 HA PRO 38 HA PRO 38 -1.328 3.067 14.140 275 HB2 PRO 38 1HB PRO 38 -2.333 0.884 15.441 276 HB3 PRO 38 2HB PRO 38 -1.052 1.885 16.096 277 HG2 PRO 38 1HG PRO 38 -3.901 1.776 16.876 278 HG3 PRO 38 2HG PRO 38 -2.543 2.430 17.769 279 HD2 PRO 38 1HD PRO 38 -4.531 3.919 16.335 280 HD3 PRO 38 2HD PRO 38 -3.109 4.565 17.131 281 H LEU 39 H LEU 39 -1.445 1.280 12.637 282 HA LEU 39 HA LEU 39 -3.618 1.673 10.899 283 HB2 LEU 39 1HB LEU 39 -1.219 0.901 10.428 284 HB3 LEU 39 2HB LEU 39 -1.764 -0.698 10.897 285 HG LEU 39 HG LEU 39 -1.892 -0.667 8.558 286 HD11 LEU 39 1HD1 LEU 39 -4.070 -1.277 8.151 287 HD12 LEU 39 2HD1 LEU 39 -4.022 -1.349 9.929 288 HD13 LEU 39 3HD1 LEU 39 -4.745 0.059 9.114 289 HD21 LEU 39 1HD2 LEU 39 -2.031 2.064 8.763 290 HD22 LEU 39 2HD2 LEU 39 -2.194 1.128 7.258 291 HD23 LEU 39 3HD2 LEU 39 -3.647 1.649 8.144 292 H GLY 40 H GLY 40 -2.704 -1.174 12.971 293 HA2 GLY 40 1HA GLY 40 -4.076 -2.534 14.173 294 HA3 GLY 40 2HA GLY 40 -5.472 -1.615 13.646 295 H ALA 41 H ALA 41 -2.986 -3.031 11.465 296 HA ALA 41 HA ALA 41 -4.832 -5.165 10.746 297 HB1 ALA 41 1HB ALA 41 -4.725 -4.581 8.369 298 HB2 ALA 41 2HB ALA 41 -5.402 -3.222 9.299 299 HB3 ALA 41 3HB ALA 41 -3.713 -3.165 8.740 300 H THR 42 H THR 42 -3.693 -7.034 10.652 301 HA THR 42 HA THR 42 -0.798 -6.860 10.613 302 HB THR 42 HB THR 42 -2.441 -9.410 10.732 303 HG1 THR 42 1HG THR 42 -2.020 -7.275 12.701 304 HG21 THR 42 1HG2 THR 42 -0.209 -9.987 11.150 305 HG22 THR 42 2HG2 THR 42 0.196 -8.369 11.769 306 HG23 THR 42 3HG2 THR 42 -0.697 -9.517 12.796 307 H VAL 43 H VAL 43 0.570 -7.978 9.135 308 HA VAL 43 HA VAL 43 -0.739 -8.842 6.675 309 HB VAL 43 HB VAL 43 0.408 -7.402 5.291 310 HG11 VAL 43 1HG1 VAL 43 -0.273 -5.269 5.903 311 HG12 VAL 43 2HG1 VAL 43 -1.275 -6.293 6.961 312 HG13 VAL 43 3HG1 VAL 43 0.180 -5.497 7.610 313 HG21 VAL 43 1HG2 VAL 43 2.306 -5.918 6.158 314 HG22 VAL 43 2HG2 VAL 43 2.328 -6.975 7.590 315 HG23 VAL 43 3HG2 VAL 43 2.654 -7.654 5.978 316 H ARG 44 H ARG 44 0.524 -10.354 5.448 317 HA ARG 44 HA ARG 44 2.637 -11.492 7.082 318 HB2 ARG 44 1HB ARG 44 2.192 -13.610 5.847 319 HB3 ARG 44 2HB ARG 44 0.731 -13.007 6.604 320 HG2 ARG 44 1HG ARG 44 0.689 -11.752 4.103 321 HG3 ARG 44 2HG ARG 44 1.365 -13.325 3.731 322 HD2 ARG 44 1HD ARG 44 -0.998 -13.346 5.571 323 HD3 ARG 44 2HD ARG 44 -1.328 -12.834 3.929 324 HE ARG 44 HE ARG 44 -0.673 -15.524 4.791 325 HH11 ARG 44 2HH2 ARG 44 -0.342 -13.290 2.093 326 HH12 ARG 44 1HH2 ARG 44 -0.210 -14.544 0.905 327 HH21 ARG 44 2HH1 ARG 44 -0.500 -17.179 3.225 328 HH22 ARG 44 1HH1 ARG 44 -0.301 -16.771 1.553 329 H ASN 45 H ASN 45 4.529 -12.481 5.853 330 HA ASN 45 HA ASN 45 5.223 -10.684 3.706 331 HB2 ASN 45 1HB ASN 45 6.792 -11.129 5.666 332 HB3 ASN 45 2HB ASN 45 6.931 -12.792 5.131 333 HD21 ASN 45 1HD2 ASN 45 6.971 -9.556 3.630 334 HD22 ASN 45 2HD2 ASN 45 8.410 -9.769 2.690 335 H GLU 46 H GLU 46 5.166 -11.398 1.563 336 HA GLU 46 HA GLU 46 4.891 -14.273 1.190 337 HB2 GLU 46 1HB GLU 46 3.414 -12.042 0.171 338 HB3 GLU 46 2HB GLU 46 4.258 -12.751 -1.192 339 HG2 GLU 46 1HG GLU 46 2.334 -14.135 0.722 340 HG3 GLU 46 2HG GLU 46 2.139 -13.901 -1.004 341 H MET 47 H MET 47 5.819 -15.088 -0.999 342 HA MET 47 HA MET 47 8.320 -15.269 -1.167 343 HB2 MET 47 1HB MET 47 6.486 -14.456 -3.475 344 HB3 MET 47 2HB MET 47 8.146 -14.931 -3.772 345 HG2 MET 47 1HG MET 47 6.733 -16.828 -1.996 346 HG3 MET 47 2HG MET 47 5.955 -16.668 -3.557 347 HE1 MET 47 1HE MET 47 7.641 -16.377 -5.776 348 HE2 MET 47 2HE MET 47 8.443 -17.932 -6.100 349 HE3 MET 47 3HE MET 47 6.727 -17.897 -5.629 350 H ASP 48 H ASP 48 6.808 -12.306 -2.651 351 HA ASP 48 HA ASP 48 9.068 -10.799 -1.735 352 HB2 ASP 48 1HB ASP 48 8.308 -10.655 -4.678 353 HB3 ASP 48 2HB ASP 48 9.707 -9.942 -3.900 354 H SER 49 H SER 49 6.015 -11.105 -1.451 355 HA SER 49 HA SER 49 5.405 -8.325 -2.051 356 HB2 SER 49 1HB SER 49 3.566 -10.715 -2.509 357 HB3 SER 49 2HB SER 49 3.037 -9.046 -2.579 358 HG SER 49 HG SER 49 4.356 -10.545 -4.488 359 H VAL 50 H VAL 50 3.761 -7.381 -0.573 360 HA VAL 50 HA VAL 50 3.722 -8.836 1.975 361 HB VAL 50 HB VAL 50 3.477 -5.881 1.375 362 HG11 VAL 50 1HG1 VAL 50 4.129 -6.476 4.109 363 HG12 VAL 50 2HG1 VAL 50 2.728 -5.594 3.454 364 HG13 VAL 50 3HG1 VAL 50 2.654 -7.362 3.654 365 HG21 VAL 50 1HG2 VAL 50 5.780 -7.656 1.990 366 HG22 VAL 50 2HG2 VAL 50 5.714 -6.130 1.076 367 HG23 VAL 50 3HG2 VAL 50 5.724 -6.102 2.856 368 H ILE 51 H ILE 51 1.860 -10.047 1.971 369 HA ILE 51 HA ILE 51 -0.578 -8.692 1.082 370 HB ILE 51 HB ILE 51 0.212 -11.579 1.355 371 HG12 ILE 51 1HG1 ILE 51 -0.733 -11.514 -1.052 372 HG13 ILE 51 2HG1 ILE 51 -0.613 -9.771 -0.915 373 HG21 ILE 51 1HG2 ILE 51 -2.591 -10.545 0.850 374 HG22 ILE 51 2HG2 ILE 51 -2.061 -12.244 0.863 375 HG23 ILE 51 3HG2 ILE 51 -2.025 -11.289 2.365 376 HD11 ILE 51 1HD1 ILE 51 1.583 -9.916 -1.437 377 HD12 ILE 51 2HD1 ILE 51 1.855 -10.810 0.078 378 HD13 ILE 51 3HD1 ILE 51 1.492 -11.694 -1.424 379 H ILE 52 H ILE 52 -2.522 -8.858 2.422 380 HA ILE 52 HA ILE 52 -1.919 -8.325 5.131 381 HB ILE 52 HB ILE 52 -4.550 -8.759 3.713 382 HG12 ILE 52 1HG1 ILE 52 -2.903 -6.861 3.000 383 HG13 ILE 52 2HG1 ILE 52 -4.607 -6.515 3.214 384 HG21 ILE 52 1HG2 ILE 52 -5.569 -7.599 5.606 385 HG22 ILE 52 2HG2 ILE 52 -4.767 -9.100 6.126 386 HG23 ILE 52 3HG2 ILE 52 -3.991 -7.526 6.425 387 HD11 ILE 52 1HD1 ILE 52 -2.617 -6.172 5.490 388 HD12 ILE 52 2HD1 ILE 52 -2.945 -4.877 4.314 389 HD13 ILE 52 3HD1 ILE 52 -4.256 -5.491 5.350 390 H SER 53 H SER 53 -2.534 -9.521 7.026 391 HA SER 53 HA SER 53 -2.866 -12.360 6.437 392 HB2 SER 53 1HB SER 53 -0.968 -12.714 7.603 393 HB3 SER 53 2HB SER 53 -0.820 -11.000 7.935 394 HG SER 53 HG SER 53 -1.427 -11.351 9.953 395 H ARG 54 H ARG 54 -3.482 -9.671 8.785 396 HA ARG 54 HA ARG 54 -6.053 -10.839 9.283 397 HB2 ARG 54 1HB ARG 54 -4.642 -11.871 11.045 398 HB3 ARG 54 2HB ARG 54 -4.041 -10.296 11.525 399 HG2 ARG 54 1HG ARG 54 -6.238 -9.599 12.305 400 HG3 ARG 54 2HG ARG 54 -7.009 -10.996 11.581 401 HD2 ARG 54 1HD ARG 54 -5.021 -12.107 13.253 402 HD3 ARG 54 2HD ARG 54 -5.653 -10.762 14.182 403 HE ARG 54 HE ARG 54 -7.942 -11.995 13.219 404 HH11 ARG 54 2HH2 ARG 54 -5.140 -13.114 15.031 405 HH12 ARG 54 1HH2 ARG 54 -6.012 -14.365 15.852 406 HH21 ARG 54 2HH1 ARG 54 -9.092 -13.646 14.303 407 HH22 ARG 54 1HH1 ARG 54 -8.274 -14.670 15.435 408 H ILE 55 H ILE 55 -7.442 -9.257 10.648 409 HA ILE 55 HA ILE 55 -6.442 -6.516 10.341 410 HB ILE 55 HB ILE 55 -9.138 -7.616 9.552 411 HG12 ILE 55 1HG1 ILE 55 -7.163 -7.820 7.965 412 HG13 ILE 55 2HG1 ILE 55 -8.594 -7.021 7.346 413 HG21 ILE 55 1HG2 ILE 55 -9.978 -5.458 9.276 414 HG22 ILE 55 2HG2 ILE 55 -9.145 -5.390 10.847 415 HG23 ILE 55 3HG2 ILE 55 -8.369 -4.707 9.398 416 HD11 ILE 55 1HD1 ILE 55 -6.584 -5.246 8.679 417 HD12 ILE 55 2HD1 ILE 55 -6.104 -5.963 7.122 418 HD13 ILE 55 3HD1 ILE 55 -7.570 -4.958 7.225 419 H VAL 56 H VAL 56 -6.377 -5.482 12.258 420 HA VAL 56 HA VAL 56 -7.719 -6.687 14.504 421 HB VAL 56 HB VAL 56 -6.094 -4.145 14.414 422 HG11 VAL 56 1HG1 VAL 56 -7.475 -4.819 16.473 423 HG12 VAL 56 2HG1 VAL 56 -6.308 -6.149 16.669 424 HG13 VAL 56 3HG1 VAL 56 -5.750 -4.460 16.724 425 HG21 VAL 56 1HG2 VAL 56 -4.358 -6.088 15.293 426 HG22 VAL 56 2HG2 VAL 56 -5.241 -6.932 13.998 427 HG23 VAL 56 3HG2 VAL 56 -4.395 -5.406 13.649 428 H LYS 57 H LYS 57 -9.324 -5.664 15.811 429 HA LYS 57 HA LYS 57 -10.960 -3.823 14.266 430 HB2 LYS 57 1HB LYS 57 -12.145 -5.718 15.061 431 HB3 LYS 57 2HB LYS 57 -11.468 -5.579 16.671 432 HG2 LYS 57 1HG LYS 57 -13.563 -4.606 17.011 433 HG3 LYS 57 2HG LYS 57 -12.609 -3.181 16.653 434 HD2 LYS 57 1HD LYS 57 -14.366 -2.833 15.175 435 HD3 LYS 57 2HD LYS 57 -13.294 -3.740 14.127 436 HE2 LYS 57 1HE LYS 57 -15.296 -4.919 13.832 437 HE3 LYS 57 2HE LYS 57 -14.547 -5.860 15.106 438 HZ1 LYS 57 1HZ LYS 57 -16.281 -5.392 16.349 439 HZ2 LYS 57 2HZ LYS 57 -15.925 -3.798 16.314 440 HZ3 LYS 57 3HZ LYS 57 -16.933 -4.435 15.198 441 H GLY 58 H GLY 58 -11.340 -1.703 14.820 442 HA2 GLY 58 1HA GLY 58 -11.468 0.041 16.401 443 HA3 GLY 58 2HA GLY 58 -10.268 -0.761 17.394 444 H GLY 59 H GLY 59 -8.991 -1.316 14.442 445 HA2 GLY 59 1HA GLY 59 -7.076 0.811 14.682 446 HA3 GLY 59 2HA GLY 59 -7.103 -0.483 13.501 447 H ALA 60 H ALA 60 -6.388 1.591 12.200 448 HA ALA 60 HA ALA 60 -8.594 3.302 11.474 449 HB1 ALA 60 1HB ALA 60 -6.431 4.324 11.671 450 HB2 ALA 60 2HB ALA 60 -5.681 3.087 10.632 451 HB3 ALA 60 3HB ALA 60 -6.815 4.269 9.934 452 H ALA 61 H ALA 61 -6.662 0.588 10.109 453 HA ALA 61 HA ALA 61 -7.714 0.683 7.533 454 HB1 ALA 61 1HB ALA 61 -7.154 -1.946 7.874 455 HB2 ALA 61 2HB ALA 61 -5.899 -0.708 7.631 456 HB3 ALA 61 3HB ALA 61 -6.284 -1.273 9.274 457 H GLU 62 H GLU 62 -8.712 -1.317 10.402 458 HA GLU 62 HA GLU 62 -10.780 -2.612 9.262 459 HB2 GLU 62 1HB GLU 62 -10.262 -3.265 11.454 460 HB3 GLU 62 2HB GLU 62 -10.244 -1.621 12.059 461 HG2 GLU 62 1HG GLU 62 -12.885 -2.388 10.980 462 HG3 GLU 62 2HG GLU 62 -12.368 -3.439 12.285 463 H LYS 63 H LYS 63 -11.292 0.319 11.360 464 HA LYS 63 HA LYS 63 -13.844 0.847 10.809 465 HB2 LYS 63 1HB LYS 63 -11.488 2.471 11.520 466 HB3 LYS 63 2HB LYS 63 -12.792 3.384 10.787 467 HG2 LYS 63 1HG LYS 63 -14.121 3.166 12.627 468 HG3 LYS 63 2HG LYS 63 -13.816 1.445 12.746 469 HD2 LYS 63 1HD LYS 63 -11.477 2.101 13.693 470 HD3 LYS 63 2HD LYS 63 -12.130 3.718 13.868 471 HE2 LYS 63 1HE LYS 63 -14.147 2.176 14.999 472 HE3 LYS 63 2HE LYS 63 -12.717 1.263 15.440 473 HZ1 LYS 63 1HZ LYS 63 -13.153 2.915 17.071 474 HZ2 LYS 63 2HZ LYS 63 -11.778 3.334 16.297 475 HZ3 LYS 63 3HZ LYS 63 -13.173 4.117 15.966 476 H SER 64 H SER 64 -11.168 2.362 8.863 477 HA SER 64 HA SER 64 -12.678 3.448 6.944 478 HB2 SER 64 1HB SER 64 -10.721 3.467 5.558 479 HB3 SER 64 2HB SER 64 -10.147 3.540 7.212 480 HG SER 64 HG SER 64 -9.493 1.737 5.333 481 H GLY 65 H GLY 65 -11.560 0.019 7.161 482 HA2 GLY 65 1HA GLY 65 -12.364 -1.857 6.212 483 HA3 GLY 65 2HA GLY 65 -13.807 -0.971 5.762 484 H LEU 66 H LEU 66 -10.481 -0.024 4.799 485 HA LEU 66 HA LEU 66 -11.280 -0.540 2.026 486 HB2 LEU 66 1HB LEU 66 -9.029 1.252 2.879 487 HB3 LEU 66 2HB LEU 66 -9.909 1.229 1.364 488 HG LEU 66 HG LEU 66 -10.947 2.193 4.042 489 HD11 LEU 66 1HD1 LEU 66 -10.378 4.264 3.444 490 HD12 LEU 66 2HD1 LEU 66 -9.347 3.502 2.209 491 HD13 LEU 66 3HD1 LEU 66 -10.987 4.048 1.785 492 HD21 LEU 66 1HD2 LEU 66 -12.752 1.101 2.843 493 HD22 LEU 66 2HD2 LEU 66 -12.983 2.866 2.828 494 HD23 LEU 66 3HD2 LEU 66 -12.378 2.036 1.374 495 H LEU 67 H LEU 67 -9.652 -1.978 4.534 496 HA LEU 67 HA LEU 67 -7.802 -3.257 2.650 497 HB2 LEU 67 1HB LEU 67 -7.229 -2.563 5.534 498 HB3 LEU 67 2HB LEU 67 -6.177 -3.470 4.465 499 HG LEU 67 HG LEU 67 -7.011 -0.749 3.568 500 HD11 LEU 67 1HD1 LEU 67 -5.128 -1.256 5.878 501 HD12 LEU 67 2HD1 LEU 67 -5.087 0.226 4.893 502 HD13 LEU 67 3HD1 LEU 67 -6.550 -0.187 5.819 503 HD21 LEU 67 1HD2 LEU 67 -5.283 -2.656 2.613 504 HD22 LEU 67 2HD2 LEU 67 -5.261 -0.927 2.187 505 HD23 LEU 67 3HD2 LEU 67 -4.187 -1.543 3.467 506 H HIS 68 H HIS 68 -7.984 -5.447 2.543 507 HA HIS 68 HA HIS 68 -9.343 -6.754 4.772 508 HB2 HIS 68 1HB HIS 68 -10.340 -6.422 2.055 509 HB3 HIS 68 2HB HIS 68 -10.191 -8.116 2.478 510 HD1 HIS 68 1HD HIS 68 -12.273 -9.038 3.478 511 HD2 HIS 68 2HD HIS 68 -11.764 -4.977 4.395 512 HE1 HIS 68 1HE HIS 68 -14.304 -8.358 4.866 513 H GLU 69 H GLU 69 -8.840 -9.067 4.957 514 HA GLU 69 HA GLU 69 -6.156 -9.546 4.535 515 HB2 GLU 69 1HB GLU 69 -8.444 -11.477 5.111 516 HB3 GLU 69 2HB GLU 69 -6.751 -11.923 5.190 517 HG2 GLU 69 1HG GLU 69 -6.325 -10.515 7.053 518 HG3 GLU 69 2HG GLU 69 -7.727 -9.510 6.741 519 H GLY 70 H GLY 70 -4.983 -10.443 2.860 520 HA2 GLY 70 1HA GLY 70 -4.807 -12.005 1.074 521 HA3 GLY 70 2HA GLY 70 -6.496 -11.745 0.688 522 H ASP 71 H ASP 71 -5.438 -8.705 1.507 523 HA ASP 71 HA ASP 71 -5.254 -7.987 -1.246 524 HB2 ASP 71 1HB ASP 71 -5.380 -6.517 1.395 525 HB3 ASP 71 2HB ASP 71 -4.841 -5.641 -0.024 526 H GLU 72 H GLU 72 -3.310 -7.536 -2.333 527 HA GLU 72 HA GLU 72 -0.904 -7.813 -0.767 528 HB2 GLU 72 1HB GLU 72 -1.016 -9.172 -2.770 529 HB3 GLU 72 2HB GLU 72 -1.450 -7.794 -3.762 530 HG2 GLU 72 1HG GLU 72 0.753 -6.776 -3.439 531 HG3 GLU 72 2HG GLU 72 1.189 -7.977 -2.239 532 H VAL 73 H VAL 73 0.495 -6.135 -0.304 533 HA VAL 73 HA VAL 73 -0.373 -3.497 -1.154 534 HB VAL 73 HB VAL 73 1.806 -4.292 0.783 535 HG11 VAL 73 1HG1 VAL 73 1.881 -2.088 1.471 536 HG12 VAL 73 2HG1 VAL 73 1.561 -1.891 -0.269 537 HG13 VAL 73 3HG1 VAL 73 0.230 -1.738 0.903 538 HG21 VAL 73 1HG2 VAL 73 0.220 -5.019 2.174 539 HG22 VAL 73 2HG2 VAL 73 -0.441 -3.366 2.208 540 HG23 VAL 73 3HG2 VAL 73 -1.065 -4.550 1.034 541 H LEU 74 H LEU 74 0.831 -2.114 -2.458 542 HA LEU 74 HA LEU 74 3.337 -3.238 -3.492 543 HB2 LEU 74 1HB LEU 74 1.436 -1.692 -5.223 544 HB3 LEU 74 2HB LEU 74 2.781 -2.712 -5.694 545 HG LEU 74 HG LEU 74 0.659 -4.143 -4.233 546 HD11 LEU 74 1HD1 LEU 74 -0.386 -2.260 -5.842 547 HD12 LEU 74 2HD1 LEU 74 -0.121 -3.553 -7.035 548 HD13 LEU 74 3HD1 LEU 74 -1.123 -3.862 -5.597 549 HD21 LEU 74 1HD2 LEU 74 2.000 -5.691 -5.151 550 HD22 LEU 74 2HD2 LEU 74 1.020 -5.419 -6.612 551 HD23 LEU 74 3HD2 LEU 74 2.583 -4.589 -6.421 552 H GLU 75 H GLU 75 1.272 -0.254 -3.298 553 HA GLU 75 HA GLU 75 3.700 1.144 -2.529 554 HB2 GLU 75 1HB GLU 75 2.244 1.507 -5.002 555 HB3 GLU 75 2HB GLU 75 2.081 2.964 -4.042 556 HG2 GLU 75 1HG GLU 75 4.480 3.235 -3.863 557 HG3 GLU 75 2HG GLU 75 4.781 1.620 -4.475 558 H ILE 76 H ILE 76 3.369 2.902 -1.052 559 HA ILE 76 HA ILE 76 0.606 3.340 -0.218 560 HB ILE 76 HB ILE 76 2.861 2.377 1.528 561 HG12 ILE 76 1HG1 ILE 76 0.042 1.394 1.009 562 HG13 ILE 76 2HG1 ILE 76 1.536 0.621 0.520 563 HG21 ILE 76 1HG2 ILE 76 0.834 4.330 2.179 564 HG22 ILE 76 2HG2 ILE 76 0.619 2.852 3.147 565 HG23 ILE 76 3HG2 ILE 76 2.179 3.710 3.166 566 HD11 ILE 76 1HD1 ILE 76 2.091 0.736 3.130 567 HD12 ILE 76 2HD1 ILE 76 0.320 0.841 3.270 568 HD13 ILE 76 3HD1 ILE 76 1.068 -0.564 2.473 569 H ASN 77 H ASN 77 0.353 5.464 -0.694 570 HA ASN 77 HA ASN 77 0.606 7.618 -0.533 571 HB2 ASN 77 1HB ASN 77 1.990 6.722 1.778 572 HB3 ASN 77 2HB ASN 77 3.108 7.835 1.014 573 HD21 ASN 77 1HD2 ASN 77 1.747 8.174 3.494 574 HD22 ASN 77 2HD2 ASN 77 0.743 9.581 3.388 575 H GLY 78 H GLY 78 2.502 5.522 -2.096 576 HA2 GLY 78 1HA GLY 78 3.542 6.327 -4.130 577 HA3 GLY 78 2HA GLY 78 4.301 7.599 -3.193 578 H ILE 79 H ILE 79 4.765 5.682 -0.851 579 HA ILE 79 HA ILE 79 7.334 4.823 -1.696 580 HB ILE 79 HB ILE 79 5.769 4.400 0.850 581 HG12 ILE 79 1HG1 ILE 79 7.980 6.069 1.281 582 HG13 ILE 79 2HG1 ILE 79 7.300 6.622 -0.236 583 HG21 ILE 79 1HG2 ILE 79 7.666 2.709 0.209 584 HG22 ILE 79 2HG2 ILE 79 8.740 4.052 0.669 585 HG23 ILE 79 3HG2 ILE 79 7.580 3.396 1.849 586 HD11 ILE 79 1HD1 ILE 79 6.119 6.675 2.507 587 HD12 ILE 79 2HD1 ILE 79 5.911 7.816 1.157 588 HD13 ILE 79 3HD1 ILE 79 4.993 6.291 1.183 589 H GLU 80 H GLU 80 8.097 2.770 -2.191 590 HA GLU 80 HA GLU 80 6.121 0.986 -3.138 591 HB2 GLU 80 1HB GLU 80 8.976 1.394 -3.439 592 HB3 GLU 80 2HB GLU 80 8.679 -0.296 -3.082 593 HG2 GLU 80 1HG GLU 80 7.248 -0.574 -4.980 594 HG3 GLU 80 2HG GLU 80 7.011 1.152 -5.169 595 H ILE 81 H ILE 81 5.974 -1.349 -2.511 596 HA ILE 81 HA ILE 81 6.726 -1.755 0.296 597 HB ILE 81 HB ILE 81 4.091 -2.413 -1.023 598 HG12 ILE 81 1HG1 ILE 81 4.694 -0.004 -0.184 599 HG13 ILE 81 2HG1 ILE 81 3.126 -0.705 0.165 600 HG21 ILE 81 1HG2 ILE 81 3.659 -2.992 1.554 601 HG22 ILE 81 2HG2 ILE 81 4.215 -4.198 0.369 602 HG23 ILE 81 3HG2 ILE 81 5.385 -3.416 1.459 603 HD11 ILE 81 1HD1 ILE 81 4.674 0.394 2.086 604 HD12 ILE 81 2HD1 ILE 81 3.580 -0.969 2.420 605 HD13 ILE 81 3HD1 ILE 81 5.313 -1.266 2.143 606 H ARG 82 H ARG 82 5.799 -3.223 -2.873 607 HA ARG 82 HA ARG 82 6.196 -5.784 -2.450 608 HB2 ARG 82 1HB ARG 82 6.257 -4.068 -4.701 609 HB3 ARG 82 2HB ARG 82 7.747 -4.982 -4.824 610 HG2 ARG 82 1HG ARG 82 6.402 -6.542 -5.841 611 HG3 ARG 82 2HG ARG 82 6.042 -7.017 -4.193 612 HD2 ARG 82 1HD ARG 82 4.005 -5.666 -4.164 613 HD3 ARG 82 2HD ARG 82 4.414 -4.914 -5.693 614 HE ARG 82 HE ARG 82 3.340 -7.634 -5.304 615 HH11 ARG 82 2HH2 ARG 82 4.877 -5.375 -7.522 616 HH12 ARG 82 1HH2 ARG 82 4.375 -6.230 -8.942 617 HH21 ARG 82 2HH1 ARG 82 2.677 -8.762 -7.177 618 HH22 ARG 82 1HH1 ARG 82 3.115 -8.169 -8.745 619 H GLY 83 H GLY 83 7.772 -6.954 -1.401 620 HA2 GLY 83 1HA GLY 83 9.961 -7.789 -1.312 621 HA3 GLY 83 2HA GLY 83 10.582 -6.263 -1.909 622 H LYS 84 H LYS 84 9.204 -4.419 -0.213 623 HA LYS 84 HA LYS 84 10.864 -4.211 1.912 624 HB2 LYS 84 1HB LYS 84 7.987 -3.291 1.659 625 HB3 LYS 84 2HB LYS 84 9.085 -2.756 2.915 626 HG2 LYS 84 1HG LYS 84 10.644 -2.331 0.687 627 HG3 LYS 84 2HG LYS 84 9.050 -2.073 0.006 628 HD2 LYS 84 1HD LYS 84 8.542 -0.421 1.817 629 HD3 LYS 84 2HD LYS 84 10.134 -0.682 2.503 630 HE2 LYS 84 1HE LYS 84 9.657 0.306 -0.350 631 HE3 LYS 84 2HE LYS 84 9.960 1.369 1.010 632 HZ1 LYS 84 1HZ LYS 84 11.770 -0.579 -0.192 633 HZ2 LYS 84 2HZ LYS 84 12.023 1.008 0.099 634 HZ3 LYS 84 3HZ LYS 84 12.018 -0.059 1.336 635 H ASP 85 H ASP 85 11.085 -5.070 3.946 636 HA ASP 85 HA ASP 85 9.989 -7.528 4.445 637 HB2 ASP 85 1HB ASP 85 12.030 -6.719 5.547 638 HB3 ASP 85 2HB ASP 85 11.142 -5.435 6.343 639 H VAL 86 H VAL 86 8.199 -8.217 5.775 640 HA VAL 86 HA VAL 86 5.933 -6.715 5.800 641 HB VAL 86 HB VAL 86 5.966 -9.095 6.134 642 HG11 VAL 86 1HG1 VAL 86 7.347 -10.127 7.549 643 HG12 VAL 86 2HG1 VAL 86 7.977 -8.538 8.044 644 HG13 VAL 86 3HG1 VAL 86 6.626 -9.277 8.936 645 HG21 VAL 86 1HG2 VAL 86 4.277 -7.361 7.402 646 HG22 VAL 86 2HG2 VAL 86 4.063 -9.127 7.347 647 HG23 VAL 86 3HG2 VAL 86 4.830 -8.368 8.762 648 H ASN 87 H ASN 87 8.673 -6.665 8.068 649 HA ASN 87 HA ASN 87 7.270 -5.215 10.038 650 HB2 ASN 87 1HB ASN 87 9.830 -6.471 9.756 651 HB3 ASN 87 2HB ASN 87 10.163 -4.787 10.108 652 HD21 ASN 87 1HD2 ASN 87 7.866 -7.330 11.093 653 HD22 ASN 87 2HD2 ASN 87 7.946 -7.048 12.801 654 H GLU 88 H GLU 88 9.581 -4.490 7.348 655 HA GLU 88 HA GLU 88 10.114 -1.892 7.851 656 HB2 GLU 88 1HB GLU 88 10.041 -3.635 5.458 657 HB3 GLU 88 2HB GLU 88 9.865 -1.932 5.082 658 HG2 GLU 88 1HG GLU 88 12.070 -3.005 6.900 659 HG3 GLU 88 2HG GLU 88 12.275 -2.814 5.170 660 H VAL 89 H VAL 89 7.203 -3.305 6.258 661 HA VAL 89 HA VAL 89 6.062 -0.860 5.504 662 HB VAL 89 HB VAL 89 4.954 -3.612 6.052 663 HG11 VAL 89 1HG1 VAL 89 3.525 -1.072 5.560 664 HG12 VAL 89 2HG1 VAL 89 3.056 -2.416 4.491 665 HG13 VAL 89 3HG1 VAL 89 2.945 -2.603 6.258 666 HG21 VAL 89 1HG2 VAL 89 4.610 -3.013 3.377 667 HG22 VAL 89 2HG2 VAL 89 6.168 -2.241 3.757 668 HG23 VAL 89 3HG2 VAL 89 5.937 -3.979 4.066 669 H PHE 90 H PHE 90 5.501 -2.993 8.392 670 HA PHE 90 HA PHE 90 3.607 -1.540 9.656 671 HB2 PHE 90 1HB PHE 90 6.147 -2.890 10.752 672 HB3 PHE 90 2HB PHE 90 4.771 -2.478 11.755 673 HD1 PHE 90 1HD PHE 90 2.831 -3.267 9.316 674 HD2 PHE 90 2HD PHE 90 5.904 -5.232 11.484 675 HE1 PHE 90 1HE PHE 90 1.783 -5.486 8.790 676 HE2 PHE 90 2HE PHE 90 4.856 -7.451 10.958 677 HZ PHE 90 HZ PHE 90 2.808 -7.552 9.618 678 H ASP 91 H ASP 91 7.199 -1.090 10.013 679 HA ASP 91 HA ASP 91 7.042 1.009 11.761 680 HB2 ASP 91 1HB ASP 91 9.054 -0.398 10.494 681 HB3 ASP 91 2HB ASP 91 9.198 1.158 9.700 682 H LEU 92 H LEU 92 7.421 0.987 8.134 683 HA LEU 92 HA LEU 92 7.579 3.594 7.563 684 HB2 LEU 92 1HB LEU 92 6.352 1.247 6.245 685 HB3 LEU 92 2HB LEU 92 5.863 2.812 5.626 686 HG LEU 92 HG LEU 92 8.771 2.557 5.980 687 HD11 LEU 92 1HD1 LEU 92 8.882 0.422 5.256 688 HD12 LEU 92 2HD1 LEU 92 7.268 0.471 4.506 689 HD13 LEU 92 3HD1 LEU 92 8.663 1.184 3.662 690 HD21 LEU 92 1HD2 LEU 92 7.939 4.454 4.836 691 HD22 LEU 92 2HD2 LEU 92 8.687 3.414 3.600 692 HD23 LEU 92 3HD2 LEU 92 6.916 3.461 3.771 693 H LEU 93 H LEU 93 4.347 1.927 7.666 694 HA LEU 93 HA LEU 93 2.842 4.214 7.655 695 HB2 LEU 93 1HB LEU 93 2.307 1.526 8.922 696 HB3 LEU 93 2HB LEU 93 1.097 2.782 8.749 697 HG LEU 93 HG LEU 93 2.536 1.329 6.515 698 HD11 LEU 93 1HD1 LEU 93 0.276 0.621 8.002 699 HD12 LEU 93 2HD1 LEU 93 -0.359 1.256 6.466 700 HD13 LEU 93 3HD1 LEU 93 0.819 -0.078 6.458 701 HD21 LEU 93 1HD2 LEU 93 1.176 3.916 6.524 702 HD22 LEU 93 2HD2 LEU 93 2.214 3.164 5.289 703 HD23 LEU 93 3HD2 LEU 93 0.480 2.767 5.356 704 H SER 94 H SER 94 4.376 2.503 10.429 705 HA SER 94 HA SER 94 3.175 3.982 12.412 706 HB2 SER 94 1HB SER 94 5.058 1.938 12.264 707 HB3 SER 94 2HB SER 94 6.000 3.257 12.930 708 HG SER 94 HG SER 94 3.424 2.844 14.057 709 H ASP 95 H ASP 95 5.427 4.934 9.973 710 HA ASP 95 HA ASP 95 6.176 7.252 11.573 711 HB2 ASP 95 1HB ASP 95 8.076 5.849 10.742 712 HB3 ASP 95 2HB ASP 95 7.512 6.061 9.096 713 H MET 96 H MET 96 3.653 6.636 9.927 714 HA MET 96 HA MET 96 3.864 8.973 8.209 715 HB2 MET 96 1HB MET 96 2.671 6.231 7.543 716 HB3 MET 96 2HB MET 96 2.274 7.662 6.613 717 HG2 MET 96 1HG MET 96 5.014 7.852 6.618 718 HG3 MET 96 2HG MET 96 4.833 6.111 6.709 719 HE1 MET 96 1HE MET 96 3.442 4.651 4.613 720 HE2 MET 96 2HE MET 96 2.224 5.566 5.533 721 HE3 MET 96 3HE MET 96 2.217 5.614 3.754 722 H HIS 97 H HIS 97 1.894 10.202 7.988 723 HA HIS 97 HA HIS 97 -0.404 9.240 9.451 724 HB2 HIS 97 1HB HIS 97 -0.349 11.726 10.493 725 HB3 HIS 97 2HB HIS 97 0.247 10.301 11.320 726 HD1 HIS 97 1HD HIS 97 1.849 12.617 8.696 727 HD2 HIS 97 2HD HIS 97 2.624 10.953 12.468 728 HE1 HIS 97 1HE HIS 97 4.178 13.416 9.365 729 H GLY 98 H GLY 98 -2.360 10.523 8.970 730 HA2 GLY 98 1HA GLY 98 -3.477 12.186 7.764 731 HA3 GLY 98 2HA GLY 98 -2.075 12.403 6.734 732 H THR 99 H THR 99 -4.167 12.236 5.211 733 HA THR 99 HA THR 99 -5.188 9.644 4.719 734 HB THR 99 HB THR 99 -5.079 11.959 2.740 735 HG1 THR 99 1HG THR 99 -6.784 11.505 5.087 736 HG21 THR 99 1HG2 THR 99 -6.333 9.695 2.306 737 HG22 THR 99 2HG2 THR 99 -7.446 10.236 3.586 738 HG23 THR 99 3HG2 THR 99 -7.259 11.201 2.102 739 H LEU 100 H LEU 100 -3.978 7.948 4.141 740 HA LEU 100 HA LEU 100 -1.784 8.469 2.273 741 HB2 LEU 100 1HB LEU 100 -2.195 5.902 3.764 742 HB3 LEU 100 2HB LEU 100 -0.721 6.577 3.100 743 HG LEU 100 HG LEU 100 -1.499 8.463 4.995 744 HD11 LEU 100 1HD1 LEU 100 -2.312 5.710 5.858 745 HD12 LEU 100 2HD1 LEU 100 -1.628 6.841 7.049 746 HD13 LEU 100 3HD1 LEU 100 -3.099 7.280 6.149 747 HD21 LEU 100 1HD2 LEU 100 0.710 8.199 5.154 748 HD22 LEU 100 2HD2 LEU 100 0.355 6.884 6.299 749 HD23 LEU 100 3HD2 LEU 100 0.640 6.515 4.581 750 H THR 101 H THR 101 -1.614 7.328 0.307 751 HA THR 101 HA THR 101 -4.171 6.223 -0.590 752 HB THR 101 HB THR 101 -1.682 7.330 -1.979 753 HG1 THR 101 1HG THR 101 -3.270 8.836 -1.123 754 HG21 THR 101 1HG2 THR 101 -4.218 6.074 -3.150 755 HG22 THR 101 2HG2 THR 101 -3.114 7.121 -4.074 756 HG23 THR 101 3HG2 THR 101 -2.541 5.556 -3.448 757 H PHE 102 H PHE 102 -4.367 4.119 -0.023 758 HA PHE 102 HA PHE 102 -2.051 2.415 -0.140 759 HB2 PHE 102 1HB PHE 102 -5.030 2.191 0.535 760 HB3 PHE 102 2HB PHE 102 -4.053 0.740 0.423 761 HD1 PHE 102 1HD PHE 102 -4.382 3.956 2.233 762 HD2 PHE 102 2HD PHE 102 -2.674 0.072 2.214 763 HE1 PHE 102 1HE PHE 102 -3.648 4.268 4.612 764 HE2 PHE 102 2HE PHE 102 -1.940 0.383 4.594 765 HZ PHE 102 HZ PHE 102 -2.435 2.477 5.764 766 H VAL 103 H VAL 103 -1.375 1.409 -1.968 767 HA VAL 103 HA VAL 103 -3.390 0.974 -4.058 768 HB VAL 103 HB VAL 103 -0.386 1.097 -4.349 769 HG11 VAL 103 1HG1 VAL 103 -0.695 0.992 -6.623 770 HG12 VAL 103 2HG1 VAL 103 -2.069 -0.002 -6.082 771 HG13 VAL 103 3HG1 VAL 103 -2.328 1.697 -6.548 772 HG21 VAL 103 1HG2 VAL 103 -0.555 3.294 -3.927 773 HG22 VAL 103 2HG2 VAL 103 -1.389 3.407 -5.495 774 HG23 VAL 103 3HG2 VAL 103 -2.333 3.260 -3.993 775 H LEU 104 H LEU 104 -4.225 -1.030 -3.440 776 HA LEU 104 HA LEU 104 -2.319 -3.221 -3.705 777 HB2 LEU 104 1HB LEU 104 -3.727 -4.296 -1.769 778 HB3 LEU 104 2HB LEU 104 -2.303 -3.325 -1.454 779 HG LEU 104 HG LEU 104 -4.052 -1.354 -1.275 780 HD11 LEU 104 1HD1 LEU 104 -5.873 -3.132 -1.957 781 HD12 LEU 104 2HD1 LEU 104 -5.843 -3.504 -0.217 782 HD13 LEU 104 3HD1 LEU 104 -6.229 -1.856 -0.767 783 HD21 LEU 104 1HD2 LEU 104 -2.532 -2.632 0.491 784 HD22 LEU 104 2HD2 LEU 104 -3.753 -1.434 0.981 785 HD23 LEU 104 3HD2 LEU 104 -4.119 -3.172 1.088 786 H ILE 105 H ILE 105 -3.446 -5.317 -4.173 787 HA ILE 105 HA ILE 105 -5.917 -4.740 -5.645 788 HB ILE 105 HB ILE 105 -3.939 -6.976 -6.090 789 HG12 ILE 105 1HG1 ILE 105 -4.043 -4.918 -8.150 790 HG13 ILE 105 2HG1 ILE 105 -3.534 -4.257 -6.609 791 HG21 ILE 105 1HG2 ILE 105 -5.946 -5.985 -8.091 792 HG22 ILE 105 2HG2 ILE 105 -5.154 -7.574 -7.959 793 HG23 ILE 105 3HG2 ILE 105 -6.441 -7.124 -6.816 794 HD11 ILE 105 1HD1 ILE 105 -1.477 -5.009 -7.341 795 HD12 ILE 105 2HD1 ILE 105 -2.039 -6.517 -6.581 796 HD13 ILE 105 3HD1 ILE 105 -2.189 -6.299 -8.341 797 HA PRO 106 HA PRO 106 -7.859 -7.302 -2.730 798 HB2 PRO 106 1HB PRO 106 -10.362 -7.319 -3.828 799 HB3 PRO 106 2HB PRO 106 -9.779 -6.031 -2.792 800 HG2 PRO 106 1HG PRO 106 -10.136 -6.030 -5.726 801 HG3 PRO 106 2HG PRO 106 -9.970 -4.665 -4.640 802 HD2 PRO 106 1HD PRO 106 -7.953 -5.727 -6.380 803 HD3 PRO 106 2HD PRO 106 -7.755 -4.437 -5.210 804 H SER 107 H SER 107 -7.466 -9.394 -2.441 805 HA SER 107 HA SER 107 -7.309 -10.993 -4.766 806 HB2 SER 107 1HB SER 107 -5.792 -11.410 -2.911 807 HB3 SER 107 2HB SER 107 -7.123 -11.626 -1.793 808 HG SER 107 HG SER 107 -5.980 -13.603 -2.820 809 H SER 108 H SER 108 -9.531 -10.764 -5.605 810 HA SER 108 HA SER 108 -11.676 -11.666 -3.992 811 HB2 SER 108 1HB SER 108 -11.678 -9.976 -5.995 812 HB3 SER 108 2HB SER 108 -11.751 -11.400 -7.014 813 HG SER 108 HG SER 108 -13.882 -10.939 -6.678 814 H GLY 109 H GLY 109 -10.034 -13.731 -3.689 815 HA2 GLY 109 1HA GLY 109 -9.914 -15.688 -5.682 816 HA3 GLY 109 2HA GLY 109 -9.770 -15.946 -3.955 817 HA PRO 110 HA PRO 110 -13.578 -18.054 -4.943 818 HB2 PRO 110 1HB PRO 110 -13.270 -20.105 -3.164 819 HB3 PRO 110 2HB PRO 110 -12.698 -20.178 -4.819 820 HG2 PRO 110 1HG PRO 110 -11.141 -19.795 -2.335 821 HG3 PRO 110 2HG PRO 110 -10.577 -20.290 -3.919 822 HD2 PRO 110 1HD PRO 110 -10.294 -17.695 -2.730 823 HD3 PRO 110 2HD PRO 110 -9.835 -18.159 -4.356 824 H SER 111 H SER 111 -15.365 -17.024 -4.331 825 HA SER 111 HA SER 111 -15.873 -17.121 -1.500 826 HB2 SER 111 1HB SER 111 -14.853 -14.763 -2.694 827 HB3 SER 111 2HB SER 111 -16.571 -14.466 -2.508 828 HG SER 111 HG SER 111 -15.072 -15.581 -0.324 829 H SER 112 H SER 112 -18.115 -17.241 -1.046 830 HA SER 112 HA SER 112 -19.739 -18.123 -3.061 831 HB2 SER 112 1HB SER 112 -21.616 -17.688 -1.378 832 HB3 SER 112 2HB SER 112 -20.294 -18.687 -0.807 833 HG SER 112 HG SER 112 -20.357 -17.273 0.831 834 H GLY 113 H GLY 113 -20.719 -17.055 -4.738 835 HA2 GLY 113 1HA GLY 113 -22.088 -15.438 -5.656 836 HA3 GLY 113 2HA GLY 113 -21.798 -14.383 -4.287 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 20.949 23.419 -6.636 2 HA2 GLY 1 1HA GLY 1 21.718 22.399 -8.527 3 HA3 GLY 1 2HA GLY 1 20.211 23.043 -9.148 4 H SER 2 H SER 2 21.760 22.807 -11.175 5 HA SER 2 HA SER 2 23.873 24.421 -11.603 6 HB2 SER 2 1HB SER 2 21.669 23.428 -13.431 7 HB3 SER 2 2HB SER 2 22.940 24.452 -14.070 8 HG SER 2 HG SER 2 23.816 22.286 -12.473 9 H SER 3 H SER 3 20.410 25.201 -12.434 10 HA SER 3 HA SER 3 20.753 27.854 -11.539 11 HB2 SER 3 1HB SER 3 20.520 27.369 -14.541 12 HB3 SER 3 2HB SER 3 20.252 28.925 -13.781 13 HG SER 3 HG SER 3 22.576 28.250 -12.805 14 H GLY 4 H GLY 4 18.859 27.603 -10.326 15 HA2 GLY 4 1HA GLY 4 16.508 28.203 -10.568 16 HA3 GLY 4 2HA GLY 4 16.403 27.048 -11.881 17 H SER 5 H SER 5 14.800 27.068 -9.420 18 HA SER 5 HA SER 5 14.987 24.363 -8.823 19 HB2 SER 5 1HB SER 5 16.897 24.847 -7.441 20 HB3 SER 5 2HB SER 5 16.138 26.270 -6.754 21 HG SER 5 HG SER 5 14.544 24.834 -5.747 22 H SER 6 H SER 6 12.802 23.990 -8.750 23 HA SER 6 HA SER 6 11.269 25.309 -6.770 24 HB2 SER 6 1HB SER 6 11.315 26.899 -8.831 25 HB3 SER 6 2HB SER 6 10.309 25.704 -9.626 26 HG SER 6 HG SER 6 8.720 26.817 -8.690 27 H GLY 7 H GLY 7 8.822 24.503 -7.028 28 HA2 GLY 7 1HA GLY 7 8.709 21.796 -6.815 29 HA3 GLY 7 2HA GLY 7 7.358 22.807 -7.290 30 HA PRO 8 HA PRO 8 9.038 20.240 -10.859 31 HB2 PRO 8 1HB PRO 8 8.091 17.707 -10.460 32 HB3 PRO 8 2HB PRO 8 9.734 18.187 -10.083 33 HG2 PRO 8 1HG PRO 8 7.477 17.696 -8.238 34 HG3 PRO 8 2HG PRO 8 9.193 17.754 -7.883 35 HD2 PRO 8 1HD PRO 8 7.256 19.797 -7.332 36 HD3 PRO 8 2HD PRO 8 8.988 19.900 -7.085 37 H ILE 9 H ILE 9 7.155 22.033 -10.949 38 HA ILE 9 HA ILE 9 4.614 20.866 -11.453 39 HB ILE 9 HB ILE 9 5.722 23.606 -12.073 40 HG12 ILE 9 1HG1 ILE 9 3.798 23.220 -9.862 41 HG13 ILE 9 2HG1 ILE 9 5.372 22.496 -9.600 42 HG21 ILE 9 1HG2 ILE 9 3.667 22.786 -13.387 43 HG22 ILE 9 2HG2 ILE 9 2.804 22.897 -11.835 44 HG23 ILE 9 3HG2 ILE 9 3.560 24.347 -12.539 45 HD11 ILE 9 1HD1 ILE 9 4.703 25.408 -10.126 46 HD12 ILE 9 2HD1 ILE 9 5.633 24.704 -8.782 47 HD13 ILE 9 3HD1 ILE 9 6.345 24.784 -10.412 48 H THR 10 H THR 10 3.607 20.364 -13.410 49 HA THR 10 HA THR 10 5.130 20.790 -15.856 50 HB THR 10 HB THR 10 4.093 18.025 -15.598 51 HG1 THR 10 1HG THR 10 6.387 18.994 -14.050 52 HG21 THR 10 1HG2 THR 10 6.943 19.045 -16.041 53 HG22 THR 10 2HG2 THR 10 6.290 17.448 -16.479 54 HG23 THR 10 3HG2 THR 10 5.753 18.901 -17.358 55 H ASP 11 H ASP 11 3.316 18.765 -17.186 56 HA ASP 11 HA ASP 11 1.147 20.635 -17.477 57 HB2 ASP 11 1HB ASP 11 2.550 19.319 -19.344 58 HB3 ASP 11 2HB ASP 11 1.380 18.052 -19.031 59 H GLU 12 H GLU 12 -0.489 18.214 -18.603 60 HA GLU 12 HA GLU 12 -1.344 17.240 -15.990 61 HB2 GLU 12 1HB GLU 12 -3.094 18.584 -16.946 62 HB3 GLU 12 2HB GLU 12 -2.910 17.846 -18.524 63 HG2 GLU 12 1HG GLU 12 -4.093 15.941 -17.936 64 HG3 GLU 12 2HG GLU 12 -3.524 15.962 -16.279 65 H ARG 13 H ARG 13 0.719 15.802 -16.813 66 HA ARG 13 HA ARG 13 -0.554 13.405 -17.807 67 HB2 ARG 13 1HB ARG 13 1.689 13.001 -19.126 68 HB3 ARG 13 2HB ARG 13 0.479 14.052 -19.834 69 HG2 ARG 13 1HG ARG 13 2.240 15.514 -20.029 70 HG3 ARG 13 2HG ARG 13 1.844 15.900 -18.366 71 HD2 ARG 13 1HD ARG 13 3.850 15.107 -17.651 72 HD3 ARG 13 2HD ARG 13 3.543 13.546 -18.387 73 HE ARG 13 HE ARG 13 4.331 15.610 -20.318 74 HH11 ARG 13 2HH2 ARG 13 5.486 13.137 -18.096 75 HH12 ARG 13 1HH2 ARG 13 7.006 12.942 -18.903 76 HH21 ARG 13 2HH1 ARG 13 6.336 15.353 -21.382 77 HH22 ARG 13 1HH1 ARG 13 7.493 14.211 -20.785 78 H VAL 14 H VAL 14 0.769 14.782 -15.262 79 HA VAL 14 HA VAL 14 2.771 12.725 -14.707 80 HB VAL 14 HB VAL 14 2.074 15.218 -13.147 81 HG11 VAL 14 1HG1 VAL 14 3.957 12.992 -12.762 82 HG12 VAL 14 2HG1 VAL 14 4.713 14.600 -12.654 83 HG13 VAL 14 3HG1 VAL 14 3.339 14.190 -11.599 84 HG21 VAL 14 1HG2 VAL 14 4.475 14.947 -14.954 85 HG22 VAL 14 2HG2 VAL 14 2.913 15.526 -15.580 86 HG23 VAL 14 3HG2 VAL 14 3.734 16.417 -14.276 87 H TYR 15 H TYR 15 -0.315 12.477 -14.819 88 HA TYR 15 HA TYR 15 -1.584 12.331 -12.488 89 HB2 TYR 15 1HB TYR 15 -1.256 10.438 -14.863 90 HB3 TYR 15 2HB TYR 15 -2.311 9.945 -13.554 91 HD1 TYR 15 2HD TYR 15 -1.747 12.677 -16.033 92 HD2 TYR 15 1HD TYR 15 -4.532 10.736 -13.430 93 HE1 TYR 15 2HE TYR 15 -3.646 14.029 -17.046 94 HE2 TYR 15 1HE TYR 15 -6.423 12.095 -14.451 95 HH TYR 15 HH TYR 15 -6.090 13.767 -17.327 96 H GLU 16 H GLU 16 -1.524 11.248 -10.551 97 HA GLU 16 HA GLU 16 0.836 9.914 -9.896 98 HB2 GLU 16 1HB GLU 16 -0.970 11.207 -8.431 99 HB3 GLU 16 2HB GLU 16 -1.685 9.617 -8.257 100 HG2 GLU 16 1HG GLU 16 0.989 9.063 -7.781 101 HG3 GLU 16 2HG GLU 16 0.855 10.684 -7.130 102 H SER 17 H SER 17 -0.813 7.864 -8.183 103 HA SER 17 HA SER 17 -0.287 5.684 -9.768 104 HB2 SER 17 1HB SER 17 -2.313 5.836 -7.494 105 HB3 SER 17 2HB SER 17 -1.510 4.389 -8.071 106 HG SER 17 HG SER 17 -0.248 4.956 -6.364 107 H ILE 18 H ILE 18 -1.339 4.868 -11.542 108 HA ILE 18 HA ILE 18 -4.139 5.675 -11.893 109 HB ILE 18 HB ILE 18 -1.988 5.000 -13.898 110 HG12 ILE 18 1HG1 ILE 18 -3.382 7.528 -14.220 111 HG13 ILE 18 2HG1 ILE 18 -2.658 7.413 -12.628 112 HG21 ILE 18 1HG2 ILE 18 -3.575 5.244 -15.648 113 HG22 ILE 18 2HG2 ILE 18 -4.259 4.078 -14.490 114 HG23 ILE 18 3HG2 ILE 18 -4.850 5.757 -14.517 115 HD11 ILE 18 1HD1 ILE 18 -1.123 8.365 -14.409 116 HD12 ILE 18 2HD1 ILE 18 -0.463 6.943 -13.567 117 HD13 ILE 18 3HD1 ILE 18 -1.148 6.771 -15.201 118 H GLY 19 H GLY 19 -5.710 4.110 -12.389 119 HA2 GLY 19 1HA GLY 19 -5.173 1.499 -11.363 120 HA3 GLY 19 2HA GLY 19 -6.668 2.089 -12.062 121 H HIS 20 H HIS 20 -3.263 1.371 -13.142 122 HA HIS 20 HA HIS 20 -4.085 -0.606 -14.931 123 HB2 HIS 20 1HB HIS 20 -4.974 1.532 -16.046 124 HB3 HIS 20 2HB HIS 20 -3.298 1.938 -16.357 125 HD1 HIS 20 1HD HIS 20 -5.584 1.184 -18.525 126 HD2 HIS 20 2HD HIS 20 -2.445 -1.265 -17.205 127 HE1 HIS 20 1HE HIS 20 -5.198 -0.538 -20.368 128 H TYR 21 H TYR 21 -2.234 -0.685 -12.968 129 HA TYR 21 HA TYR 21 0.339 0.172 -13.731 130 HB2 TYR 21 1HB TYR 21 -0.970 -1.842 -11.839 131 HB3 TYR 21 2HB TYR 21 0.776 -1.854 -11.989 132 HD1 TYR 21 1HD TYR 21 -1.244 1.245 -12.184 133 HD2 TYR 21 2HD TYR 21 1.241 -1.214 -9.718 134 HE1 TYR 21 1HE TYR 21 -1.080 3.116 -10.471 135 HE2 TYR 21 2HE TYR 21 1.396 0.666 -8.013 136 HH TYR 21 HH TYR 21 0.299 3.845 -8.731 137 H GLY 22 H GLY 22 0.928 -0.465 -15.827 138 HA2 GLY 22 1HA GLY 22 1.999 -1.871 -17.246 139 HA3 GLY 22 2HA GLY 22 1.865 -3.165 -16.072 140 H GLY 23 H GLY 23 -0.434 -4.114 -15.759 141 HA2 GLY 23 1HA GLY 23 -2.109 -3.881 -18.147 142 HA3 GLY 23 2HA GLY 23 -1.386 -5.442 -17.815 143 H GLU 24 H GLU 24 -1.453 -5.535 -14.984 144 HA GLU 24 HA GLU 24 -4.022 -6.412 -14.572 145 HB2 GLU 24 1HB GLU 24 -1.606 -6.523 -13.206 146 HB3 GLU 24 2HB GLU 24 -2.590 -5.557 -12.124 147 HG2 GLU 24 1HG GLU 24 -3.661 -7.423 -11.419 148 HG3 GLU 24 2HG GLU 24 -4.254 -7.703 -13.044 149 H THR 25 H THR 25 -4.734 -5.331 -11.972 150 HA THR 25 HA THR 25 -5.228 -2.502 -12.525 151 HB THR 25 HB THR 25 -7.693 -3.244 -11.659 152 HG1 THR 25 1HG THR 25 -8.070 -5.385 -12.544 153 HG21 THR 25 1HG2 THR 25 -8.439 -2.949 -13.851 154 HG22 THR 25 2HG2 THR 25 -6.787 -2.319 -14.050 155 HG23 THR 25 3HG2 THR 25 -7.165 -3.991 -14.529 156 H VAL 26 H VAL 26 -4.710 -1.306 -10.811 157 HA VAL 26 HA VAL 26 -4.614 -2.697 -8.232 158 HB VAL 26 HB VAL 26 -3.150 -0.706 -7.635 159 HG11 VAL 26 1HG1 VAL 26 -2.492 -2.992 -9.421 160 HG12 VAL 26 2HG1 VAL 26 -1.253 -1.724 -9.259 161 HG13 VAL 26 3HG1 VAL 26 -1.857 -2.568 -7.813 162 HG21 VAL 26 1HG2 VAL 26 -2.554 0.858 -9.145 163 HG22 VAL 26 2HG2 VAL 26 -2.416 -0.325 -10.467 164 HG23 VAL 26 3HG2 VAL 26 -4.011 0.329 -10.022 165 H LYS 27 H LYS 27 -5.799 -1.952 -6.483 166 HA LYS 27 HA LYS 27 -7.701 0.175 -7.139 167 HB2 LYS 27 1HB LYS 27 -8.344 -2.274 -6.423 168 HB3 LYS 27 2HB LYS 27 -7.998 -1.696 -4.806 169 HG2 LYS 27 1HG LYS 27 -9.523 0.390 -5.785 170 HG3 LYS 27 2HG LYS 27 -10.230 -0.965 -6.643 171 HD2 LYS 27 1HD LYS 27 -10.893 -2.061 -4.647 172 HD3 LYS 27 2HD LYS 27 -9.726 -1.199 -3.664 173 HE2 LYS 27 1HE LYS 27 -11.136 0.574 -3.325 174 HE3 LYS 27 2HE LYS 27 -11.643 0.615 -5.001 175 HZ1 LYS 27 1HZ LYS 27 -13.492 -0.357 -4.362 176 HZ2 LYS 27 2HZ LYS 27 -12.669 -1.694 -3.911 177 HZ3 LYS 27 3HZ LYS 27 -12.966 -0.512 -2.823 178 H ILE 28 H ILE 28 -7.080 2.153 -6.459 179 HA ILE 28 HA ILE 28 -5.232 2.371 -4.264 180 HB ILE 28 HB ILE 28 -6.538 4.363 -6.111 181 HG12 ILE 28 1HG1 ILE 28 -3.948 4.617 -6.618 182 HG13 ILE 28 2HG1 ILE 28 -3.880 2.984 -5.987 183 HG21 ILE 28 1HG2 ILE 28 -5.184 4.792 -3.547 184 HG22 ILE 28 2HG2 ILE 28 -4.462 5.697 -4.899 185 HG23 ILE 28 3HG2 ILE 28 -6.190 5.892 -4.520 186 HD11 ILE 28 1HD1 ILE 28 -4.553 3.690 -8.601 187 HD12 ILE 28 2HD1 ILE 28 -4.863 2.110 -7.843 188 HD13 ILE 28 3HD1 ILE 28 -6.133 3.357 -7.853 189 H VAL 29 H VAL 29 -5.761 2.621 -2.160 190 HA VAL 29 HA VAL 29 -8.468 3.606 -1.593 191 HB VAL 29 HB VAL 29 -7.945 1.980 0.512 192 HG11 VAL 29 1HG1 VAL 29 -10.058 1.999 -0.592 193 HG12 VAL 29 2HG1 VAL 29 -9.355 1.368 -2.100 194 HG13 VAL 29 3HG1 VAL 29 -9.460 0.324 -0.662 195 HG21 VAL 29 1HG2 VAL 29 -6.867 0.497 -1.908 196 HG22 VAL 29 2HG2 VAL 29 -5.866 1.146 -0.587 197 HG23 VAL 29 3HG2 VAL 29 -7.057 -0.134 -0.254 198 H ARG 30 H ARG 30 -8.391 5.480 -0.476 199 HA ARG 30 HA ARG 30 -5.893 6.109 0.816 200 HB2 ARG 30 1HB ARG 30 -8.314 7.700 -0.077 201 HB3 ARG 30 2HB ARG 30 -7.254 8.390 1.135 202 HG2 ARG 30 1HG ARG 30 -5.295 7.906 -0.461 203 HG3 ARG 30 2HG ARG 30 -6.486 7.501 -1.681 204 HD2 ARG 30 1HD ARG 30 -6.369 9.737 -2.196 205 HD3 ARG 30 2HD ARG 30 -7.479 9.921 -0.853 206 HE ARG 30 HE ARG 30 -4.689 9.896 0.010 207 HH11 ARG 30 2HH2 ARG 30 -7.261 11.925 -1.274 208 HH12 ARG 30 1HH2 ARG 30 -6.584 13.395 -0.657 209 HH21 ARG 30 2HH1 ARG 30 -3.796 11.835 0.825 210 HH22 ARG 30 1HH1 ARG 30 -4.600 13.343 0.545 211 H ILE 31 H ILE 31 -5.671 5.706 2.994 212 HA ILE 31 HA ILE 31 -8.139 5.609 4.579 213 HB ILE 31 HB ILE 31 -5.498 4.186 4.832 214 HG12 ILE 31 1HG1 ILE 31 -8.351 3.175 4.626 215 HG13 ILE 31 2HG1 ILE 31 -7.193 3.223 3.311 216 HG21 ILE 31 1HG2 ILE 31 -5.681 4.083 7.038 217 HG22 ILE 31 2HG2 ILE 31 -7.117 5.133 6.977 218 HG23 ILE 31 3HG2 ILE 31 -7.303 3.365 6.879 219 HD11 ILE 31 1HD1 ILE 31 -5.672 1.710 4.558 220 HD12 ILE 31 2HD1 ILE 31 -6.813 1.687 5.924 221 HD13 ILE 31 3HD1 ILE 31 -7.280 0.973 4.362 222 H GLU 32 H GLU 32 -8.381 6.933 6.357 223 HA GLU 32 HA GLU 32 -6.366 8.990 6.564 224 HB2 GLU 32 1HB GLU 32 -9.189 8.766 7.692 225 HB3 GLU 32 2HB GLU 32 -8.131 10.129 7.996 226 HG2 GLU 32 1HG GLU 32 -7.930 10.024 5.277 227 HG3 GLU 32 2HG GLU 32 -9.531 9.336 5.465 228 H LYS 33 H LYS 33 -4.764 8.783 8.061 229 HA LYS 33 HA LYS 33 -5.464 7.386 10.550 230 HB2 LYS 33 1HB LYS 33 -3.161 7.027 8.691 231 HB3 LYS 33 2HB LYS 33 -2.814 6.955 10.407 232 HG2 LYS 33 1HG LYS 33 -4.401 5.156 10.752 233 HG3 LYS 33 2HG LYS 33 -5.097 5.369 9.158 234 HD2 LYS 33 1HD LYS 33 -3.647 3.450 9.011 235 HD3 LYS 33 2HD LYS 33 -2.830 4.749 8.165 236 HE2 LYS 33 1HE LYS 33 -2.288 4.205 11.111 237 HE3 LYS 33 2HE LYS 33 -1.440 3.324 9.856 238 HZ1 LYS 33 1HZ LYS 33 -0.934 5.886 10.774 239 HZ2 LYS 33 2HZ LYS 33 -0.126 5.053 9.625 240 HZ3 LYS 33 3HZ LYS 33 -1.376 6.017 9.207 241 H ALA 34 H ALA 34 -5.108 8.500 12.417 242 HA ALA 34 HA ALA 34 -4.352 11.234 12.193 243 HB1 ALA 34 1HB ALA 34 -4.574 9.721 14.794 244 HB2 ALA 34 2HB ALA 34 -5.077 11.384 14.408 245 HB3 ALA 34 3HB ALA 34 -6.027 10.005 13.806 246 H ARG 35 H ARG 35 -2.678 12.097 13.933 247 HA ARG 35 HA ARG 35 -0.234 10.845 13.203 248 HB2 ARG 35 1HB ARG 35 -0.654 13.191 15.119 249 HB3 ARG 35 2HB ARG 35 0.825 12.787 14.270 250 HG2 ARG 35 1HG ARG 35 -0.738 13.021 12.104 251 HG3 ARG 35 2HG ARG 35 -1.720 13.996 13.180 252 HD2 ARG 35 1HD ARG 35 1.192 14.618 13.297 253 HD3 ARG 35 2HD ARG 35 0.454 14.936 11.739 254 HE ARG 35 HE ARG 35 -0.004 16.414 14.198 255 HH11 ARG 35 2HH2 ARG 35 -1.527 15.426 11.184 256 HH12 ARG 35 1HH2 ARG 35 -2.643 16.751 11.165 257 HH21 ARG 35 2HH1 ARG 35 -1.476 18.162 14.174 258 HH22 ARG 35 1HH1 ARG 35 -2.613 18.317 12.878 259 H ASP 36 H ASP 36 -2.311 9.603 15.173 260 HA ASP 36 HA ASP 36 -0.351 8.591 16.945 261 HB2 ASP 36 1HB ASP 36 -1.598 10.866 17.871 262 HB3 ASP 36 2HB ASP 36 -2.709 9.643 18.454 263 H ILE 37 H ILE 37 -2.238 7.697 14.826 264 HA ILE 37 HA ILE 37 -4.005 6.001 16.449 265 HB ILE 37 HB ILE 37 -4.446 7.496 13.917 266 HG12 ILE 37 1HG1 ILE 37 -5.368 7.857 16.402 267 HG13 ILE 37 2HG1 ILE 37 -6.281 8.296 14.972 268 HG21 ILE 37 1HG2 ILE 37 -5.395 4.696 14.425 269 HG22 ILE 37 2HG2 ILE 37 -6.444 5.849 13.566 270 HG23 ILE 37 3HG2 ILE 37 -4.834 5.456 12.917 271 HD11 ILE 37 1HD1 ILE 37 -7.640 6.334 15.083 272 HD12 ILE 37 2HD1 ILE 37 -6.517 5.525 16.203 273 HD13 ILE 37 3HD1 ILE 37 -7.507 6.892 16.768 274 HA PRO 38 HA PRO 38 -1.546 2.822 14.807 275 HB2 PRO 38 1HB PRO 38 -2.864 0.700 15.914 276 HB3 PRO 38 2HB PRO 38 -1.653 1.630 16.774 277 HG2 PRO 38 1HG PRO 38 -4.593 1.678 17.084 278 HG3 PRO 38 2HG PRO 38 -3.362 2.258 18.189 279 HD2 PRO 38 1HD PRO 38 -5.010 3.853 16.466 280 HD3 PRO 38 2HD PRO 38 -3.702 4.420 17.484 281 H LEU 39 H LEU 39 -1.479 1.135 13.233 282 HA LEU 39 HA LEU 39 -3.404 1.605 11.231 283 HB2 LEU 39 1HB LEU 39 -1.042 0.969 10.863 284 HB3 LEU 39 2HB LEU 39 -1.388 -0.629 11.493 285 HG LEU 39 HG LEU 39 -2.918 -1.076 9.649 286 HD11 LEU 39 1HD1 LEU 39 -2.748 0.714 7.705 287 HD12 LEU 39 2HD1 LEU 39 -3.977 0.834 8.987 288 HD13 LEU 39 3HD1 LEU 39 -2.501 1.824 9.075 289 HD21 LEU 39 1HD2 LEU 39 -0.083 -0.556 9.356 290 HD22 LEU 39 2HD2 LEU 39 -1.076 -1.881 8.704 291 HD23 LEU 39 3HD2 LEU 39 -0.941 -0.347 7.811 292 H GLY 40 H GLY 40 -2.732 -1.330 13.272 293 HA2 GLY 40 1HA GLY 40 -4.190 -2.807 14.176 294 HA3 GLY 40 2HA GLY 40 -5.530 -1.806 13.654 295 H ALA 41 H ALA 41 -2.916 -3.101 11.540 296 HA ALA 41 HA ALA 41 -4.748 -5.095 10.484 297 HB1 ALA 41 1HB ALA 41 -4.959 -2.773 9.284 298 HB2 ALA 41 2HB ALA 41 -3.390 -3.203 8.562 299 HB3 ALA 41 3HB ALA 41 -4.806 -4.250 8.302 300 H THR 42 H THR 42 -3.599 -6.955 10.483 301 HA THR 42 HA THR 42 -0.702 -6.798 10.477 302 HB THR 42 HB THR 42 -2.414 -9.312 10.581 303 HG1 THR 42 1HG THR 42 -3.368 -7.981 12.158 304 HG21 THR 42 1HG2 THR 42 0.062 -9.591 10.703 305 HG22 THR 42 2HG2 THR 42 0.133 -8.391 12.015 306 HG23 THR 42 3HG2 THR 42 -0.682 -9.951 12.279 307 H VAL 43 H VAL 43 0.623 -8.172 9.062 308 HA VAL 43 HA VAL 43 -0.648 -8.935 6.574 309 HB VAL 43 HB VAL 43 0.658 -7.557 5.182 310 HG11 VAL 43 1HG1 VAL 43 -0.045 -5.304 5.782 311 HG12 VAL 43 2HG1 VAL 43 -1.326 -6.470 6.193 312 HG13 VAL 43 3HG1 VAL 43 -0.287 -5.802 7.474 313 HG21 VAL 43 1HG2 VAL 43 2.167 -5.772 6.555 314 HG22 VAL 43 2HG2 VAL 43 2.326 -7.197 7.610 315 HG23 VAL 43 3HG2 VAL 43 2.794 -7.303 5.896 316 H ARG 44 H ARG 44 0.579 -10.497 5.408 317 HA ARG 44 HA ARG 44 2.667 -11.633 7.063 318 HB2 ARG 44 1HB ARG 44 2.295 -13.696 5.637 319 HB3 ARG 44 2HB ARG 44 0.869 -13.191 6.521 320 HG2 ARG 44 1HG ARG 44 0.884 -11.790 3.995 321 HG3 ARG 44 2HG ARG 44 1.192 -13.484 3.670 322 HD2 ARG 44 1HD ARG 44 -0.827 -13.853 5.397 323 HD3 ARG 44 2HD ARG 44 -1.234 -12.209 4.948 324 HE ARG 44 HE ARG 44 -2.016 -13.038 2.919 325 HH11 ARG 44 2HH2 ARG 44 0.427 -15.251 4.151 326 HH12 ARG 44 1HH2 ARG 44 0.241 -16.382 2.851 327 HH21 ARG 44 2HH1 ARG 44 -2.262 -14.529 1.205 328 HH22 ARG 44 1HH1 ARG 44 -1.298 -15.968 1.164 329 H ASN 45 H ASN 45 4.548 -12.713 5.797 330 HA ASN 45 HA ASN 45 5.390 -10.808 3.795 331 HB2 ASN 45 1HB ASN 45 6.691 -12.290 5.907 332 HB3 ASN 45 2HB ASN 45 7.403 -12.813 4.394 333 HD21 ASN 45 1HD2 ASN 45 7.071 -10.475 2.889 334 HD22 ASN 45 2HD2 ASN 45 8.120 -9.238 3.496 335 H GLU 46 H GLU 46 4.497 -11.518 1.800 336 HA GLU 46 HA GLU 46 4.433 -14.310 1.222 337 HB2 GLU 46 1HB GLU 46 3.101 -11.951 0.296 338 HB3 GLU 46 2HB GLU 46 3.899 -12.656 -1.096 339 HG2 GLU 46 1HG GLU 46 1.879 -13.979 0.759 340 HG3 GLU 46 2HG GLU 46 1.721 -13.685 -0.961 341 H MET 47 H MET 47 5.314 -15.095 -0.994 342 HA MET 47 HA MET 47 7.803 -15.415 -1.169 343 HB2 MET 47 1HB MET 47 6.027 -14.417 -3.450 344 HB3 MET 47 2HB MET 47 7.652 -14.995 -3.758 345 HG2 MET 47 1HG MET 47 6.017 -16.811 -2.052 346 HG3 MET 47 2HG MET 47 5.398 -16.604 -3.678 347 HE1 MET 47 1HE MET 47 7.120 -16.788 -5.874 348 HE2 MET 47 2HE MET 47 7.673 -18.480 -5.905 349 HE3 MET 47 3HE MET 47 6.002 -18.099 -5.425 350 H ASP 48 H ASP 48 6.474 -12.335 -2.590 351 HA ASP 48 HA ASP 48 8.775 -10.962 -1.589 352 HB2 ASP 48 1HB ASP 48 8.142 -10.972 -4.577 353 HB3 ASP 48 2HB ASP 48 9.388 -10.012 -3.805 354 H SER 49 H SER 49 5.719 -11.095 -1.396 355 HA SER 49 HA SER 49 5.266 -8.295 -2.042 356 HB2 SER 49 1HB SER 49 3.404 -10.641 -2.585 357 HB3 SER 49 2HB SER 49 2.828 -8.988 -2.523 358 HG SER 49 HG SER 49 3.296 -9.220 -4.657 359 H VAL 50 H VAL 50 3.658 -7.240 -0.607 360 HA VAL 50 HA VAL 50 3.538 -8.620 1.974 361 HB VAL 50 HB VAL 50 3.318 -5.692 1.248 362 HG11 VAL 50 1HG1 VAL 50 3.869 -5.965 3.986 363 HG12 VAL 50 2HG1 VAL 50 2.344 -5.428 3.241 364 HG13 VAL 50 3HG1 VAL 50 2.579 -7.144 3.650 365 HG21 VAL 50 1HG2 VAL 50 5.530 -6.492 2.979 366 HG22 VAL 50 2HG2 VAL 50 5.595 -7.286 1.387 367 HG23 VAL 50 3HG2 VAL 50 5.536 -5.510 1.494 368 H ILE 51 H ILE 51 1.683 -9.863 1.908 369 HA ILE 51 HA ILE 51 -0.751 -8.505 1.011 370 HB ILE 51 HB ILE 51 0.030 -11.399 1.268 371 HG12 ILE 51 1HG1 ILE 51 -0.701 -11.396 -1.142 372 HG13 ILE 51 2HG1 ILE 51 -0.863 -9.654 -1.044 373 HG21 ILE 51 1HG2 ILE 51 -2.210 -11.177 2.215 374 HG22 ILE 51 2HG2 ILE 51 -2.749 -10.299 0.764 375 HG23 ILE 51 3HG2 ILE 51 -2.257 -12.005 0.640 376 HD11 ILE 51 1HD1 ILE 51 1.475 -11.035 -1.680 377 HD12 ILE 51 2HD1 ILE 51 1.385 -9.329 -1.181 378 HD13 ILE 51 3HD1 ILE 51 1.721 -10.593 0.026 379 H ILE 52 H ILE 52 -2.680 -8.610 2.337 380 HA ILE 52 HA ILE 52 -2.126 -8.109 5.042 381 HB ILE 52 HB ILE 52 -4.766 -8.683 3.692 382 HG12 ILE 52 1HG1 ILE 52 -3.630 -6.916 2.502 383 HG13 ILE 52 2HG1 ILE 52 -4.943 -6.237 3.444 384 HG21 ILE 52 1HG2 ILE 52 -4.751 -6.795 5.913 385 HG22 ILE 52 2HG2 ILE 52 -5.798 -8.200 5.605 386 HG23 ILE 52 3HG2 ILE 52 -4.220 -8.423 6.396 387 HD11 ILE 52 1HD1 ILE 52 -3.331 -5.586 5.235 388 HD12 ILE 52 2HD1 ILE 52 -2.001 -6.258 4.262 389 HD13 ILE 52 3HD1 ILE 52 -2.913 -4.850 3.669 390 H SER 53 H SER 53 -2.507 -9.333 6.926 391 HA SER 53 HA SER 53 -2.835 -12.176 6.359 392 HB2 SER 53 1HB SER 53 -0.956 -12.531 7.555 393 HB3 SER 53 2HB SER 53 -0.754 -10.799 7.723 394 HG SER 53 HG SER 53 -0.870 -11.478 9.819 395 H ARG 54 H ARG 54 -3.504 -9.482 8.680 396 HA ARG 54 HA ARG 54 -6.030 -10.699 9.228 397 HB2 ARG 54 1HB ARG 54 -4.604 -11.765 10.948 398 HB3 ARG 54 2HB ARG 54 -3.976 -10.205 11.441 399 HG2 ARG 54 1HG ARG 54 -6.163 -9.495 12.263 400 HG3 ARG 54 2HG ARG 54 -6.944 -10.899 11.563 401 HD2 ARG 54 1HD ARG 54 -4.944 -12.036 13.167 402 HD3 ARG 54 2HD ARG 54 -5.464 -10.655 14.113 403 HE ARG 54 HE ARG 54 -6.994 -13.062 13.610 404 HH11 ARG 54 2HH2 ARG 54 -7.333 -9.596 14.113 405 HH12 ARG 54 1HH2 ARG 54 -8.947 -9.714 14.729 406 HH21 ARG 54 2HH1 ARG 54 -9.124 -13.219 14.423 407 HH22 ARG 54 1HH1 ARG 54 -9.973 -11.789 14.907 408 H ILE 55 H ILE 55 -7.443 -9.159 10.570 409 HA ILE 55 HA ILE 55 -6.471 -6.401 10.289 410 HB ILE 55 HB ILE 55 -9.205 -7.520 9.673 411 HG12 ILE 55 1HG1 ILE 55 -7.685 -7.909 7.863 412 HG13 ILE 55 2HG1 ILE 55 -8.747 -6.590 7.415 413 HG21 ILE 55 1HG2 ILE 55 -8.863 -5.144 10.881 414 HG22 ILE 55 2HG2 ILE 55 -8.606 -4.654 9.189 415 HG23 ILE 55 3HG2 ILE 55 -10.124 -5.454 9.663 416 HD11 ILE 55 1HD1 ILE 55 -6.725 -5.166 8.581 417 HD12 ILE 55 2HD1 ILE 55 -5.814 -6.564 7.962 418 HD13 ILE 55 3HD1 ILE 55 -6.773 -5.562 6.846 419 H VAL 56 H VAL 56 -6.324 -5.361 12.198 420 HA VAL 56 HA VAL 56 -7.544 -6.592 14.508 421 HB VAL 56 HB VAL 56 -5.887 -4.074 14.346 422 HG11 VAL 56 1HG1 VAL 56 -7.222 -4.844 16.466 423 HG12 VAL 56 2HG1 VAL 56 -5.908 -6.032 16.628 424 HG13 VAL 56 3HG1 VAL 56 -5.538 -4.291 16.627 425 HG21 VAL 56 1HG2 VAL 56 -4.263 -6.232 15.179 426 HG22 VAL 56 2HG2 VAL 56 -5.103 -6.777 13.708 427 HG23 VAL 56 3HG2 VAL 56 -4.135 -5.283 13.679 428 H LYS 57 H LYS 57 -9.121 -5.621 15.854 429 HA LYS 57 HA LYS 57 -10.861 -3.828 14.419 430 HB2 LYS 57 1HB LYS 57 -12.053 -5.522 15.457 431 HB3 LYS 57 2HB LYS 57 -11.049 -5.513 16.893 432 HG2 LYS 57 1HG LYS 57 -12.372 -2.914 16.464 433 HG3 LYS 57 2HG LYS 57 -13.531 -4.223 16.587 434 HD2 LYS 57 1HD LYS 57 -11.262 -3.958 18.595 435 HD3 LYS 57 2HD LYS 57 -12.743 -3.041 18.789 436 HE2 LYS 57 1HE LYS 57 -13.991 -4.902 19.345 437 HE3 LYS 57 2HE LYS 57 -13.148 -5.940 18.212 438 HZ1 LYS 57 1HZ LYS 57 -11.866 -6.635 19.841 439 HZ2 LYS 57 2HZ LYS 57 -11.393 -5.122 20.233 440 HZ3 LYS 57 3HZ LYS 57 -12.734 -5.760 20.913 441 H GLY 58 H GLY 58 -11.281 -1.680 14.895 442 HA2 GLY 58 1HA GLY 58 -11.200 0.241 16.181 443 HA3 GLY 58 2HA GLY 58 -10.037 -0.503 17.260 444 H GLY 59 H GLY 59 -9.094 -1.252 14.092 445 HA2 GLY 59 1HA GLY 59 -6.959 0.724 14.202 446 HA3 GLY 59 2HA GLY 59 -7.081 -0.666 13.142 447 H ALA 60 H ALA 60 -6.318 1.835 12.118 448 HA ALA 60 HA ALA 60 -8.534 3.291 11.126 449 HB1 ALA 60 1HB ALA 60 -5.568 3.162 10.529 450 HB2 ALA 60 2HB ALA 60 -6.662 4.180 9.561 451 HB3 ALA 60 3HB ALA 60 -6.496 4.464 11.310 452 H ALA 61 H ALA 61 -6.990 0.281 10.262 453 HA ALA 61 HA ALA 61 -7.711 0.361 7.502 454 HB1 ALA 61 1HB ALA 61 -6.703 -1.745 7.405 455 HB2 ALA 61 2HB ALA 61 -5.849 -0.989 8.771 456 HB3 ALA 61 3HB ALA 61 -7.160 -2.154 9.076 457 H GLU 62 H GLU 62 -8.986 -1.300 10.468 458 HA GLU 62 HA GLU 62 -11.078 -2.550 9.195 459 HB2 GLU 62 1HB GLU 62 -10.561 -3.282 11.387 460 HB3 GLU 62 2HB GLU 62 -10.583 -1.658 12.045 461 HG2 GLU 62 1HG GLU 62 -12.970 -1.535 11.994 462 HG3 GLU 62 2HG GLU 62 -13.107 -2.869 10.865 463 H LYS 63 H LYS 63 -11.255 0.454 11.252 464 HA LYS 63 HA LYS 63 -13.798 1.170 10.831 465 HB2 LYS 63 1HB LYS 63 -11.278 2.613 11.360 466 HB3 LYS 63 2HB LYS 63 -12.551 3.607 10.682 467 HG2 LYS 63 1HG LYS 63 -13.777 3.537 12.603 468 HG3 LYS 63 2HG LYS 63 -13.597 1.801 12.753 469 HD2 LYS 63 1HD LYS 63 -11.148 2.315 13.524 470 HD3 LYS 63 2HD LYS 63 -11.696 3.968 13.723 471 HE2 LYS 63 1HE LYS 63 -13.469 1.883 14.931 472 HE3 LYS 63 2HE LYS 63 -11.890 2.044 15.675 473 HZ1 LYS 63 1HZ LYS 63 -14.020 4.005 15.490 474 HZ2 LYS 63 2HZ LYS 63 -13.072 3.622 16.763 475 HZ3 LYS 63 3HZ LYS 63 -12.481 4.546 15.554 476 H SER 64 H SER 64 -11.098 2.349 8.693 477 HA SER 64 HA SER 64 -12.736 3.440 6.806 478 HB2 SER 64 1HB SER 64 -10.775 3.283 5.285 479 HB3 SER 64 2HB SER 64 -10.321 3.849 6.880 480 HG SER 64 HG SER 64 -9.861 1.279 5.678 481 H GLY 65 H GLY 65 -11.301 0.109 6.957 482 HA2 GLY 65 1HA GLY 65 -12.102 -1.843 6.141 483 HA3 GLY 65 2HA GLY 65 -13.566 -1.027 5.629 484 H LEU 66 H LEU 66 -10.089 -0.423 4.769 485 HA LEU 66 HA LEU 66 -10.872 -0.858 1.970 486 HB2 LEU 66 1HB LEU 66 -8.634 0.924 2.903 487 HB3 LEU 66 2HB LEU 66 -9.356 0.826 1.309 488 HG LEU 66 HG LEU 66 -10.645 1.946 3.811 489 HD11 LEU 66 1HD1 LEU 66 -8.831 3.153 2.165 490 HD12 LEU 66 2HD1 LEU 66 -10.372 3.632 1.414 491 HD13 LEU 66 3HD1 LEU 66 -10.065 4.001 3.128 492 HD21 LEU 66 1HD2 LEU 66 -12.211 0.692 2.256 493 HD22 LEU 66 2HD2 LEU 66 -12.613 2.394 2.588 494 HD23 LEU 66 3HD2 LEU 66 -11.853 1.944 1.042 495 H LEU 67 H LEU 67 -9.184 -2.099 4.627 496 HA LEU 67 HA LEU 67 -7.380 -3.545 2.813 497 HB2 LEU 67 1HB LEU 67 -6.835 -2.878 5.705 498 HB3 LEU 67 2HB LEU 67 -5.753 -3.661 4.571 499 HG LEU 67 HG LEU 67 -6.719 -0.962 3.791 500 HD11 LEU 67 1HD1 LEU 67 -4.806 0.001 5.256 501 HD12 LEU 67 2HD1 LEU 67 -6.395 -0.317 5.994 502 HD13 LEU 67 3HD1 LEU 67 -5.053 -1.459 6.244 503 HD21 LEU 67 1HD2 LEU 67 -4.569 -0.741 2.837 504 HD22 LEU 67 2HD2 LEU 67 -3.910 -2.077 3.810 505 HD23 LEU 67 3HD2 LEU 67 -5.080 -2.415 2.512 506 H HIS 68 H HIS 68 -7.714 -5.705 2.708 507 HA HIS 68 HA HIS 68 -9.036 -6.945 4.995 508 HB2 HIS 68 1HB HIS 68 -9.830 -7.493 2.126 509 HB3 HIS 68 2HB HIS 68 -10.557 -8.159 3.574 510 HD1 HIS 68 1HD HIS 68 -11.350 -5.804 1.112 511 HD2 HIS 68 2HD HIS 68 -11.439 -5.669 5.303 512 HE1 HIS 68 1HE HIS 68 -12.959 -3.924 1.732 513 H GLU 69 H GLU 69 -8.691 -9.327 5.079 514 HA GLU 69 HA GLU 69 -6.028 -9.912 4.597 515 HB2 GLU 69 1HB GLU 69 -8.354 -11.808 5.147 516 HB3 GLU 69 2HB GLU 69 -6.660 -12.231 5.290 517 HG2 GLU 69 1HG GLU 69 -6.325 -10.596 7.079 518 HG3 GLU 69 2HG GLU 69 -7.927 -9.927 6.839 519 H GLY 70 H GLY 70 -5.045 -10.299 2.664 520 HA2 GLY 70 1HA GLY 70 -4.959 -12.020 0.895 521 HA3 GLY 70 2HA GLY 70 -6.644 -11.660 0.577 522 H ASP 71 H ASP 71 -5.651 -8.686 1.429 523 HA ASP 71 HA ASP 71 -5.436 -7.867 -1.266 524 HB2 ASP 71 1HB ASP 71 -5.366 -6.493 1.435 525 HB3 ASP 71 2HB ASP 71 -4.917 -5.588 0.003 526 H GLU 72 H GLU 72 -3.532 -7.222 -2.377 527 HA GLU 72 HA GLU 72 -1.073 -7.679 -0.900 528 HB2 GLU 72 1HB GLU 72 -1.296 -9.052 -2.894 529 HB3 GLU 72 2HB GLU 72 -1.696 -7.661 -3.881 530 HG2 GLU 72 1HG GLU 72 0.529 -6.777 -3.752 531 HG3 GLU 72 2HG GLU 72 0.946 -7.789 -2.383 532 H VAL 73 H VAL 73 0.446 -6.050 -0.590 533 HA VAL 73 HA VAL 73 -0.396 -3.400 -1.488 534 HB VAL 73 HB VAL 73 1.650 -4.205 0.588 535 HG11 VAL 73 1HG1 VAL 73 0.257 -1.548 0.499 536 HG12 VAL 73 2HG1 VAL 73 1.851 -1.978 1.162 537 HG13 VAL 73 3HG1 VAL 73 1.625 -1.851 -0.599 538 HG21 VAL 73 1HG2 VAL 73 -0.571 -5.011 1.230 539 HG22 VAL 73 2HG2 VAL 73 -0.069 -3.650 2.262 540 HG23 VAL 73 3HG2 VAL 73 -1.253 -3.389 0.958 541 H LEU 74 H LEU 74 0.939 -2.067 -2.738 542 HA LEU 74 HA LEU 74 3.446 -3.299 -3.630 543 HB2 LEU 74 1HB LEU 74 1.693 -1.785 -5.530 544 HB3 LEU 74 2HB LEU 74 3.000 -2.901 -5.871 545 HG LEU 74 HG LEU 74 0.551 -3.953 -4.505 546 HD11 LEU 74 1HD1 LEU 74 0.073 -2.421 -6.634 547 HD12 LEU 74 2HD1 LEU 74 0.519 -3.921 -7.483 548 HD13 LEU 74 3HD1 LEU 74 -0.824 -3.925 -6.314 549 HD21 LEU 74 1HD2 LEU 74 1.101 -5.941 -5.926 550 HD22 LEU 74 2HD2 LEU 74 2.555 -5.075 -6.477 551 HD23 LEU 74 3HD2 LEU 74 2.363 -5.488 -4.756 552 H GLU 75 H GLU 75 1.419 -0.293 -3.527 553 HA GLU 75 HA GLU 75 3.846 1.100 -2.767 554 HB2 GLU 75 1HB GLU 75 2.473 1.407 -5.298 555 HB3 GLU 75 2HB GLU 75 2.315 2.897 -4.390 556 HG2 GLU 75 1HG GLU 75 4.700 3.151 -4.176 557 HG3 GLU 75 2HG GLU 75 5.002 1.493 -4.656 558 H ILE 76 H ILE 76 3.495 2.904 -1.354 559 HA ILE 76 HA ILE 76 0.708 3.381 -0.614 560 HB ILE 76 HB ILE 76 2.943 2.565 1.234 561 HG12 ILE 76 1HG1 ILE 76 0.183 1.441 0.684 562 HG13 ILE 76 2HG1 ILE 76 1.719 0.714 0.255 563 HG21 ILE 76 1HG2 ILE 76 0.590 3.033 2.721 564 HG22 ILE 76 2HG2 ILE 76 2.142 3.900 2.812 565 HG23 ILE 76 3HG2 ILE 76 0.859 4.482 1.724 566 HD11 ILE 76 1HD1 ILE 76 1.784 1.334 3.075 567 HD12 ILE 76 2HD1 ILE 76 0.277 0.458 2.717 568 HD13 ILE 76 3HD1 ILE 76 1.848 -0.262 2.291 569 H ASN 77 H ASN 77 0.439 5.477 -1.192 570 HA ASN 77 HA ASN 77 0.698 7.630 -1.226 571 HB2 ASN 77 1HB ASN 77 2.033 6.872 1.236 572 HB3 ASN 77 2HB ASN 77 2.957 8.166 0.499 573 HD21 ASN 77 1HD2 ASN 77 1.505 8.322 2.914 574 HD22 ASN 77 2HD2 ASN 77 0.245 9.499 2.746 575 H GLY 78 H GLY 78 2.669 5.505 -2.546 576 HA2 GLY 78 1HA GLY 78 3.924 6.207 -4.481 577 HA3 GLY 78 2HA GLY 78 4.609 7.508 -3.529 578 H ILE 79 H ILE 79 4.762 5.596 -1.096 579 HA ILE 79 HA ILE 79 7.416 4.728 -1.628 580 HB ILE 79 HB ILE 79 5.564 4.373 0.727 581 HG12 ILE 79 1HG1 ILE 79 7.758 5.988 1.387 582 HG13 ILE 79 2HG1 ILE 79 7.276 6.532 -0.207 583 HG21 ILE 79 1HG2 ILE 79 8.402 4.052 1.278 584 HG22 ILE 79 2HG2 ILE 79 7.019 3.032 1.744 585 HG23 ILE 79 3HG2 ILE 79 7.792 2.812 0.156 586 HD11 ILE 79 1HD1 ILE 79 4.881 6.664 0.623 587 HD12 ILE 79 2HD1 ILE 79 5.489 6.293 2.254 588 HD13 ILE 79 3HD1 ILE 79 5.997 7.789 1.434 589 H GLU 80 H GLU 80 8.187 2.727 -2.186 590 HA GLU 80 HA GLU 80 6.286 0.907 -3.203 591 HB2 GLU 80 1HB GLU 80 9.128 1.378 -3.411 592 HB3 GLU 80 2HB GLU 80 8.880 -0.312 -3.018 593 HG2 GLU 80 1HG GLU 80 6.910 0.118 -4.934 594 HG3 GLU 80 2HG GLU 80 8.193 1.170 -5.499 595 H ILE 81 H ILE 81 5.987 -1.353 -2.543 596 HA ILE 81 HA ILE 81 6.705 -1.794 0.270 597 HB ILE 81 HB ILE 81 4.096 -2.411 -1.119 598 HG12 ILE 81 1HG1 ILE 81 4.695 -0.016 -0.267 599 HG13 ILE 81 2HG1 ILE 81 3.121 -0.706 0.076 600 HG21 ILE 81 1HG2 ILE 81 3.536 -3.037 1.386 601 HG22 ILE 81 2HG2 ILE 81 4.244 -4.225 0.266 602 HG23 ILE 81 3HG2 ILE 81 5.280 -3.388 1.446 603 HD11 ILE 81 1HD1 ILE 81 3.673 -1.184 2.336 604 HD12 ILE 81 2HD1 ILE 81 5.422 -1.077 2.022 605 HD13 ILE 81 3HD1 ILE 81 4.430 0.401 2.041 606 H ARG 82 H ARG 82 5.935 -3.195 -2.959 607 HA ARG 82 HA ARG 82 6.214 -5.772 -2.582 608 HB2 ARG 82 1HB ARG 82 6.391 -4.086 -4.775 609 HB3 ARG 82 2HB ARG 82 7.992 -4.799 -4.776 610 HG2 ARG 82 1HG ARG 82 6.935 -6.456 -5.979 611 HG3 ARG 82 2HG ARG 82 6.550 -7.063 -4.382 612 HD2 ARG 82 1HD ARG 82 4.331 -6.130 -4.437 613 HD3 ARG 82 2HD ARG 82 4.713 -5.086 -5.791 614 HE ARG 82 HE ARG 82 4.098 -7.971 -5.915 615 HH11 ARG 82 2HH2 ARG 82 5.331 -5.149 -7.617 616 HH12 ARG 82 1HH2 ARG 82 5.064 -5.823 -9.190 617 HH21 ARG 82 2HH1 ARG 82 3.746 -8.861 -7.990 618 HH22 ARG 82 1HH1 ARG 82 4.156 -7.949 -9.404 619 H GLY 83 H GLY 83 7.639 -7.008 -1.401 620 HA2 GLY 83 1HA GLY 83 9.756 -7.941 -1.095 621 HA3 GLY 83 2HA GLY 83 10.508 -6.472 -1.683 622 H LYS 84 H LYS 84 9.191 -4.480 -0.160 623 HA LYS 84 HA LYS 84 10.673 -4.270 2.061 624 HB2 LYS 84 1HB LYS 84 7.825 -3.306 1.662 625 HB3 LYS 84 2HB LYS 84 8.901 -2.738 2.922 626 HG2 LYS 84 1HG LYS 84 10.529 -2.426 0.733 627 HG3 LYS 84 2HG LYS 84 8.963 -2.191 -0.018 628 HD2 LYS 84 1HD LYS 84 8.402 -0.442 1.670 629 HD3 LYS 84 2HD LYS 84 9.948 -0.691 2.455 630 HE2 LYS 84 1HE LYS 84 9.696 0.117 -0.478 631 HE3 LYS 84 2HE LYS 84 9.835 1.286 0.821 632 HZ1 LYS 84 1HZ LYS 84 11.983 0.885 0.074 633 HZ2 LYS 84 2HZ LYS 84 11.890 0.034 1.464 634 HZ3 LYS 84 3HZ LYS 84 11.797 -0.737 0.028 635 H ASP 85 H ASP 85 10.728 -5.024 4.158 636 HA ASP 85 HA ASP 85 9.425 -7.444 4.626 637 HB2 ASP 85 1HB ASP 85 11.619 -6.765 5.629 638 HB3 ASP 85 2HB ASP 85 10.803 -5.538 6.577 639 H VAL 86 H VAL 86 7.943 -7.848 6.582 640 HA VAL 86 HA VAL 86 5.686 -6.258 6.480 641 HB VAL 86 HB VAL 86 5.040 -7.504 8.542 642 HG11 VAL 86 1HG1 VAL 86 6.024 -9.746 6.999 643 HG12 VAL 86 2HG1 VAL 86 4.366 -9.115 7.152 644 HG13 VAL 86 3HG1 VAL 86 5.464 -8.446 5.920 645 HG21 VAL 86 1HG2 VAL 86 7.367 -7.611 9.491 646 HG22 VAL 86 2HG2 VAL 86 6.488 -9.159 9.504 647 HG23 VAL 86 3HG2 VAL 86 7.742 -8.857 8.277 648 H ASN 87 H ASN 87 8.506 -6.210 8.722 649 HA ASN 87 HA ASN 87 7.430 -4.382 10.491 650 HB2 ASN 87 1HB ASN 87 10.391 -4.383 9.827 651 HB3 ASN 87 2HB ASN 87 9.626 -4.253 11.398 652 HD21 ASN 87 1HD2 ASN 87 11.576 -6.139 9.842 653 HD22 ASN 87 2HD2 ASN 87 11.082 -7.729 10.320 654 H GLU 88 H GLU 88 9.543 -4.027 7.556 655 HA GLU 88 HA GLU 88 10.038 -1.375 7.669 656 HB2 GLU 88 1HB GLU 88 10.081 -3.468 5.656 657 HB3 GLU 88 2HB GLU 88 9.524 -1.976 4.925 658 HG2 GLU 88 1HG GLU 88 11.644 -1.111 6.531 659 HG3 GLU 88 2HG GLU 88 12.206 -2.672 5.968 660 H VAL 89 H VAL 89 7.177 -3.001 6.133 661 HA VAL 89 HA VAL 89 5.939 -0.669 5.264 662 HB VAL 89 HB VAL 89 4.881 -3.385 6.053 663 HG11 VAL 89 1HG1 VAL 89 3.134 -2.059 4.220 664 HG12 VAL 89 2HG1 VAL 89 2.787 -2.648 5.863 665 HG13 VAL 89 3HG1 VAL 89 3.388 -0.990 5.620 666 HG21 VAL 89 1HG2 VAL 89 4.797 -2.574 3.235 667 HG22 VAL 89 2HG2 VAL 89 6.445 -2.619 3.906 668 HG23 VAL 89 3HG2 VAL 89 5.414 -4.067 3.982 669 H PHE 90 H PHE 90 5.291 -2.631 8.260 670 HA PHE 90 HA PHE 90 3.436 -0.996 9.389 671 HB2 PHE 90 1HB PHE 90 5.800 -2.547 10.605 672 HB3 PHE 90 2HB PHE 90 4.456 -1.959 11.564 673 HD1 PHE 90 2HD PHE 90 2.243 -2.578 9.573 674 HD2 PHE 90 1HD PHE 90 5.544 -4.867 10.943 675 HE1 PHE 90 2HE PHE 90 0.976 -4.692 9.095 676 HE2 PHE 90 1HE PHE 90 4.277 -6.980 10.465 677 HZ PHE 90 HZ PHE 90 2.008 -6.867 9.547 678 H ASP 91 H ASP 91 7.041 -0.819 9.821 679 HA ASP 91 HA ASP 91 7.007 1.318 11.537 680 HB2 ASP 91 1HB ASP 91 8.934 -0.189 10.018 681 HB3 ASP 91 2HB ASP 91 9.286 1.508 9.755 682 H LEU 92 H LEU 92 7.093 1.102 7.927 683 HA LEU 92 HA LEU 92 7.589 3.725 7.305 684 HB2 LEU 92 1HB LEU 92 6.349 1.395 6.010 685 HB3 LEU 92 2HB LEU 92 5.820 2.939 5.371 686 HG LEU 92 HG LEU 92 8.746 2.679 5.711 687 HD11 LEU 92 1HD1 LEU 92 8.740 0.545 4.927 688 HD12 LEU 92 2HD1 LEU 92 7.179 0.730 4.091 689 HD13 LEU 92 3HD1 LEU 92 8.660 1.408 3.372 690 HD21 LEU 92 1HD2 LEU 92 8.154 4.617 4.622 691 HD22 LEU 92 2HD2 LEU 92 8.499 3.538 3.249 692 HD23 LEU 92 3HD2 LEU 92 6.815 3.847 3.737 693 H LEU 93 H LEU 93 4.258 2.273 7.265 694 HA LEU 93 HA LEU 93 2.873 4.602 7.182 695 HB2 LEU 93 1HB LEU 93 2.172 2.033 8.608 696 HB3 LEU 93 2HB LEU 93 1.036 3.327 8.282 697 HG LEU 93 HG LEU 93 2.550 1.803 6.144 698 HD11 LEU 93 1HD1 LEU 93 0.854 0.495 7.574 699 HD12 LEU 93 2HD1 LEU 93 -0.383 1.477 6.753 700 HD13 LEU 93 3HD1 LEU 93 0.697 0.428 5.802 701 HD21 LEU 93 1HD2 LEU 93 1.710 3.202 4.629 702 HD22 LEU 93 2HD2 LEU 93 0.087 3.147 5.358 703 HD23 LEU 93 3HD2 LEU 93 1.307 4.279 5.989 704 H SER 94 H SER 94 4.005 2.859 10.155 705 HA SER 94 HA SER 94 2.959 4.331 12.072 706 HB2 SER 94 1HB SER 94 5.174 2.611 11.827 707 HB3 SER 94 2HB SER 94 5.844 4.057 12.555 708 HG SER 94 HG SER 94 4.868 3.585 14.399 709 H ASP 95 H ASP 95 6.073 5.202 10.391 710 HA ASP 95 HA ASP 95 6.384 7.617 11.662 711 HB2 ASP 95 1HB ASP 95 8.004 6.286 10.124 712 HB3 ASP 95 2HB ASP 95 7.192 7.060 8.778 713 H MET 96 H MET 96 4.615 6.628 8.682 714 HA MET 96 HA MET 96 4.028 9.286 7.915 715 HB2 MET 96 1HB MET 96 2.676 6.647 7.119 716 HB3 MET 96 2HB MET 96 2.576 8.151 6.226 717 HG2 MET 96 1HG MET 96 5.295 7.897 6.351 718 HG3 MET 96 2HG MET 96 4.850 6.203 6.418 719 HE1 MET 96 1HE MET 96 3.405 4.994 3.929 720 HE2 MET 96 2HE MET 96 2.482 5.795 5.223 721 HE3 MET 96 3HE MET 96 2.186 6.225 3.522 722 H HIS 97 H HIS 97 1.722 10.112 7.673 723 HA HIS 97 HA HIS 97 -0.258 8.956 9.349 724 HB2 HIS 97 1HB HIS 97 -0.216 11.428 10.560 725 HB3 HIS 97 2HB HIS 97 0.317 9.918 11.272 726 HD1 HIS 97 1HD HIS 97 1.975 12.440 8.882 727 HD2 HIS 97 2HD HIS 97 2.765 10.284 12.393 728 HE1 HIS 97 1HE HIS 97 4.351 13.055 9.579 729 H GLY 98 H GLY 98 -2.343 9.960 9.018 730 HA2 GLY 98 1HA GLY 98 -3.698 11.653 8.104 731 HA3 GLY 98 2HA GLY 98 -2.392 12.138 7.041 732 H THR 99 H THR 99 -4.263 11.974 5.416 733 HA THR 99 HA THR 99 -5.265 9.411 4.742 734 HB THR 99 HB THR 99 -5.082 11.979 3.082 735 HG1 THR 99 1HG THR 99 -6.133 12.441 5.065 736 HG21 THR 99 1HG2 THR 99 -7.050 11.168 1.955 737 HG22 THR 99 2HG2 THR 99 -5.941 9.776 1.985 738 HG23 THR 99 3HG2 THR 99 -7.286 9.868 3.148 739 H LEU 100 H LEU 100 -3.762 7.831 4.391 740 HA LEU 100 HA LEU 100 -1.612 8.445 2.525 741 HB2 LEU 100 1HB LEU 100 -1.942 5.803 3.876 742 HB3 LEU 100 2HB LEU 100 -0.482 6.637 3.382 743 HG LEU 100 HG LEU 100 -1.542 8.326 5.314 744 HD11 LEU 100 1HD1 LEU 100 -2.154 5.458 6.007 745 HD12 LEU 100 2HD1 LEU 100 -1.814 6.672 7.264 746 HD13 LEU 100 3HD1 LEU 100 -3.188 6.900 6.155 747 HD21 LEU 100 1HD2 LEU 100 0.576 8.178 5.950 748 HD22 LEU 100 2HD2 LEU 100 0.314 6.517 6.533 749 HD23 LEU 100 3HD2 LEU 100 0.799 6.801 4.844 750 H THR 101 H THR 101 -1.417 7.514 0.491 751 HA THR 101 HA THR 101 -3.869 6.289 -0.502 752 HB THR 101 HB THR 101 -1.390 7.561 -1.754 753 HG1 THR 101 1HG THR 101 -3.066 9.081 -2.305 754 HG21 THR 101 1HG2 THR 101 -1.986 5.856 -3.365 755 HG22 THR 101 2HG2 THR 101 -3.723 6.071 -3.047 756 HG23 THR 101 3HG2 THR 101 -2.813 7.335 -3.908 757 H PHE 102 H PHE 102 -3.983 4.165 0.050 758 HA PHE 102 HA PHE 102 -1.589 2.560 -0.194 759 HB2 PHE 102 1HB PHE 102 -4.516 2.078 0.621 760 HB3 PHE 102 2HB PHE 102 -3.316 0.802 0.640 761 HD1 PHE 102 1HD PHE 102 -4.205 4.062 2.146 762 HD2 PHE 102 2HD PHE 102 -1.820 0.566 2.456 763 HE1 PHE 102 1HE PHE 102 -3.542 4.722 4.475 764 HE2 PHE 102 2HE PHE 102 -1.157 1.225 4.785 765 HZ PHE 102 HZ PHE 102 -2.025 3.295 5.767 766 H VAL 103 H VAL 103 -1.034 1.579 -2.076 767 HA VAL 103 HA VAL 103 -3.166 1.161 -4.038 768 HB VAL 103 HB VAL 103 -0.160 1.190 -4.370 769 HG11 VAL 103 1HG1 VAL 103 -1.797 1.701 -6.737 770 HG12 VAL 103 2HG1 VAL 103 -0.446 0.567 -6.503 771 HG13 VAL 103 3HG1 VAL 103 -2.097 0.092 -6.037 772 HG21 VAL 103 1HG2 VAL 103 -1.289 3.370 -5.728 773 HG22 VAL 103 2HG2 VAL 103 -2.084 3.352 -4.136 774 HG23 VAL 103 3HG2 VAL 103 -0.309 3.416 -4.243 775 H LEU 104 H LEU 104 -4.104 -0.781 -3.381 776 HA LEU 104 HA LEU 104 -2.326 -3.086 -3.633 777 HB2 LEU 104 1HB LEU 104 -3.795 -4.072 -1.714 778 HB3 LEU 104 2HB LEU 104 -2.356 -3.131 -1.373 779 HG LEU 104 HG LEU 104 -4.315 -1.189 -1.422 780 HD11 LEU 104 1HD1 LEU 104 -5.505 -3.666 -0.143 781 HD12 LEU 104 2HD1 LEU 104 -6.155 -2.014 -0.021 782 HD13 LEU 104 3HD1 LEU 104 -6.101 -2.834 -1.599 783 HD21 LEU 104 1HD2 LEU 104 -3.410 -2.731 1.023 784 HD22 LEU 104 2HD2 LEU 104 -2.443 -1.490 0.190 785 HD23 LEU 104 3HD2 LEU 104 -3.989 -1.049 0.955 786 H ILE 105 H ILE 105 -3.573 -5.121 -4.089 787 HA ILE 105 HA ILE 105 -5.989 -4.417 -5.601 788 HB ILE 105 HB ILE 105 -4.092 -6.727 -6.027 789 HG12 ILE 105 1HG1 ILE 105 -4.189 -4.643 -8.085 790 HG13 ILE 105 2HG1 ILE 105 -3.575 -4.054 -6.553 791 HG21 ILE 105 1HG2 ILE 105 -6.610 -6.807 -6.738 792 HG22 ILE 105 2HG2 ILE 105 -6.071 -5.724 -8.044 793 HG23 ILE 105 3HG2 ILE 105 -5.337 -7.336 -7.865 794 HD11 ILE 105 1HD1 ILE 105 -1.856 -5.771 -6.481 795 HD12 ILE 105 2HD1 ILE 105 -2.570 -6.611 -7.879 796 HD13 ILE 105 3HD1 ILE 105 -1.804 -5.019 -8.093 797 HA PRO 106 HA PRO 106 -8.054 -6.871 -2.669 798 HB2 PRO 106 1HB PRO 106 -10.572 -6.665 -3.711 799 HB3 PRO 106 2HB PRO 106 -9.870 -5.455 -2.656 800 HG2 PRO 106 1HG PRO 106 -10.284 -5.346 -5.580 801 HG3 PRO 106 2HG PRO 106 -9.991 -4.028 -4.464 802 HD2 PRO 106 1HD PRO 106 -8.099 -5.196 -6.275 803 HD3 PRO 106 2HD PRO 106 -7.777 -3.957 -5.077 804 H SER 107 H SER 107 -7.794 -8.993 -2.453 805 HA SER 107 HA SER 107 -7.775 -10.542 -4.800 806 HB2 SER 107 1HB SER 107 -6.353 -11.097 -2.876 807 HB3 SER 107 2HB SER 107 -7.757 -11.315 -1.850 808 HG SER 107 HG SER 107 -8.015 -13.306 -2.600 809 H SER 108 H SER 108 -9.954 -10.080 -5.667 810 HA SER 108 HA SER 108 -12.199 -10.851 -4.122 811 HB2 SER 108 1HB SER 108 -11.683 -9.723 -6.834 812 HB3 SER 108 2HB SER 108 -13.146 -10.678 -6.695 813 HG SER 108 HG SER 108 -13.113 -8.215 -6.140 814 H GLY 109 H GLY 109 -10.741 -13.062 -3.891 815 HA2 GLY 109 1HA GLY 109 -10.804 -14.931 -5.986 816 HA3 GLY 109 2HA GLY 109 -10.630 -15.273 -4.276 817 HA PRO 110 HA PRO 110 -15.143 -15.718 -5.735 818 HB2 PRO 110 1HB PRO 110 -15.359 -17.049 -8.112 819 HB3 PRO 110 2HB PRO 110 -15.493 -15.307 -7.973 820 HG2 PRO 110 1HG PRO 110 -13.240 -16.916 -9.009 821 HG3 PRO 110 2HG PRO 110 -13.573 -15.212 -9.247 822 HD2 PRO 110 1HD PRO 110 -11.624 -16.349 -7.476 823 HD3 PRO 110 2HD PRO 110 -12.038 -14.653 -7.630 824 H SER 111 H SER 111 -15.229 -17.010 -3.925 825 HA SER 111 HA SER 111 -15.104 -19.810 -4.672 826 HB2 SER 111 1HB SER 111 -13.045 -18.696 -3.257 827 HB3 SER 111 2HB SER 111 -14.106 -19.138 -1.935 828 HG SER 111 HG SER 111 -12.464 -20.787 -2.792 829 H SER 112 H SER 112 -16.354 -21.216 -3.118 830 HA SER 112 HA SER 112 -18.592 -19.686 -2.118 831 HB2 SER 112 1HB SER 112 -18.393 -22.088 -3.536 832 HB3 SER 112 2HB SER 112 -18.753 -22.626 -1.907 833 HG SER 112 HG SER 112 -20.418 -21.447 -3.749 834 H GLY 113 H GLY 113 -18.057 -18.904 -0.066 835 HA2 GLY 113 1HA GLY 113 -18.388 -20.012 2.227 836 HA3 GLY 113 2HA GLY 113 -16.873 -20.806 1.846 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 12.172 23.541 2.919 2 HA2 GLY 1 1HA GLY 1 14.345 23.277 3.917 3 HA3 GLY 1 2HA GLY 1 14.477 23.047 2.185 4 H SER 2 H SER 2 16.725 23.796 3.695 5 HA SER 2 HA SER 2 17.178 26.436 4.051 6 HB2 SER 2 1HB SER 2 18.703 24.443 4.570 7 HB3 SER 2 2HB SER 2 19.225 24.496 2.898 8 HG SER 2 HG SER 2 20.223 25.906 4.917 9 H SER 3 H SER 3 18.024 24.513 1.070 10 HA SER 3 HA SER 3 17.031 26.422 -0.662 11 HB2 SER 3 1HB SER 3 18.893 27.842 0.086 12 HB3 SER 3 2HB SER 3 20.047 26.561 -0.229 13 HG SER 3 HG SER 3 19.197 26.680 -2.540 14 H GLY 4 H GLY 4 16.278 24.191 -1.250 15 HA2 GLY 4 1HA GLY 4 16.871 23.099 -3.471 16 HA3 GLY 4 2HA GLY 4 18.339 22.608 -2.649 17 H SER 5 H SER 5 16.280 20.840 -3.763 18 HA SER 5 HA SER 5 15.586 19.507 -1.274 19 HB2 SER 5 1HB SER 5 13.724 20.659 -3.102 20 HB3 SER 5 2HB SER 5 13.624 18.926 -3.342 21 HG SER 5 HG SER 5 12.456 20.300 -1.414 22 H SER 6 H SER 6 15.766 17.204 -1.353 23 HA SER 6 HA SER 6 17.571 16.247 -3.234 24 HB2 SER 6 1HB SER 6 16.353 15.348 -0.806 25 HB3 SER 6 2HB SER 6 16.078 14.089 -1.994 26 HG SER 6 HG SER 6 18.430 14.835 -0.729 27 H GLY 7 H GLY 7 17.143 15.837 -5.370 28 HA2 GLY 7 1HA GLY 7 14.756 14.298 -6.043 29 HA3 GLY 7 2HA GLY 7 14.889 15.896 -6.749 30 HA PRO 8 HA PRO 8 18.126 12.898 -8.553 31 HB2 PRO 8 1HB PRO 8 17.150 10.387 -9.010 32 HB3 PRO 8 2HB PRO 8 18.151 10.789 -7.629 33 HG2 PRO 8 1HG PRO 8 15.237 10.301 -7.726 34 HG3 PRO 8 2HG PRO 8 16.308 10.281 -6.339 35 HD2 PRO 8 1HD PRO 8 14.477 12.366 -7.064 36 HD3 PRO 8 2HD PRO 8 15.630 12.396 -5.745 37 H ILE 9 H ILE 9 17.969 11.317 -10.731 38 HA ILE 9 HA ILE 9 16.487 13.096 -12.466 39 HB ILE 9 HB ILE 9 18.346 10.800 -13.091 40 HG12 ILE 9 1HG1 ILE 9 19.376 12.689 -11.799 41 HG13 ILE 9 2HG1 ILE 9 20.089 12.387 -13.371 42 HG21 ILE 9 1HG2 ILE 9 18.400 11.613 -15.337 43 HG22 ILE 9 2HG2 ILE 9 16.695 11.391 -14.878 44 HG23 ILE 9 3HG2 ILE 9 17.402 13.025 -14.913 45 HD11 ILE 9 1HD1 ILE 9 17.937 14.494 -12.874 46 HD12 ILE 9 2HD1 ILE 9 19.684 14.835 -12.883 47 HD13 ILE 9 3HD1 ILE 9 18.882 14.261 -14.365 48 H THR 10 H THR 10 14.592 12.616 -13.498 49 HA THR 10 HA THR 10 13.024 10.505 -12.549 50 HB THR 10 HB THR 10 11.992 12.513 -13.417 51 HG1 THR 10 1HG THR 10 10.760 10.688 -14.029 52 HG21 THR 10 1HG2 THR 10 12.495 12.218 -16.258 53 HG22 THR 10 2HG2 THR 10 12.820 13.632 -15.227 54 HG23 THR 10 3HG2 THR 10 14.057 12.366 -15.418 55 H ASP 11 H ASP 11 12.094 8.681 -13.740 56 HA ASP 11 HA ASP 11 13.670 7.774 -15.957 57 HB2 ASP 11 1HB ASP 11 14.525 6.982 -13.489 58 HB3 ASP 11 2HB ASP 11 13.305 5.754 -13.765 59 H GLU 12 H GLU 12 10.936 8.650 -15.707 60 HA GLU 12 HA GLU 12 8.979 8.031 -16.453 61 HB2 GLU 12 1HB GLU 12 10.459 6.085 -17.574 62 HB3 GLU 12 2HB GLU 12 9.557 5.078 -16.460 63 HG2 GLU 12 1HG GLU 12 7.411 6.018 -17.357 64 HG3 GLU 12 2HG GLU 12 8.321 7.008 -18.482 65 H ARG 13 H ARG 13 10.319 7.417 -13.551 66 HA ARG 13 HA ARG 13 7.784 6.450 -12.513 67 HB2 ARG 13 1HB ARG 13 10.585 5.471 -11.891 68 HB3 ARG 13 2HB ARG 13 9.375 5.418 -10.624 69 HG2 ARG 13 1HG ARG 13 7.941 3.961 -11.905 70 HG3 ARG 13 2HG ARG 13 8.833 4.255 -13.385 71 HD2 ARG 13 1HD ARG 13 10.882 3.263 -11.962 72 HD3 ARG 13 2HD ARG 13 9.596 2.533 -11.022 73 HE ARG 13 HE ARG 13 10.421 1.759 -13.686 74 HH11 ARG 13 2HH2 ARG 13 7.595 1.989 -11.602 75 HH12 ARG 13 1HH2 ARG 13 6.727 0.736 -12.426 76 HH21 ARG 13 2HH1 ARG 13 9.276 0.106 -14.773 77 HH22 ARG 13 1HH1 ARG 13 7.690 -0.342 -14.242 78 H VAL 14 H VAL 14 7.471 8.865 -12.282 79 HA VAL 14 HA VAL 14 8.526 9.717 -9.716 80 HB VAL 14 HB VAL 14 8.792 11.366 -12.239 81 HG11 VAL 14 1HG1 VAL 14 8.401 12.961 -10.608 82 HG12 VAL 14 2HG1 VAL 14 9.152 11.988 -9.320 83 HG13 VAL 14 3HG1 VAL 14 10.173 12.804 -10.529 84 HG21 VAL 14 1HG2 VAL 14 10.884 10.009 -10.507 85 HG22 VAL 14 2HG2 VAL 14 10.489 9.648 -12.204 86 HG23 VAL 14 3HG2 VAL 14 11.242 11.204 -11.777 87 H TYR 15 H TYR 15 5.944 8.734 -11.010 88 HA TYR 15 HA TYR 15 4.340 11.157 -10.556 89 HB2 TYR 15 1HB TYR 15 2.657 9.407 -11.760 90 HB3 TYR 15 2HB TYR 15 3.790 10.338 -12.721 91 HD1 TYR 15 1HD TYR 15 4.188 7.248 -10.618 92 HD2 TYR 15 2HD TYR 15 4.570 9.045 -14.481 93 HE1 TYR 15 1HE TYR 15 5.191 5.096 -11.528 94 HE2 TYR 15 2HE TYR 15 5.572 6.888 -15.378 95 HH TYR 15 HH TYR 15 6.936 4.877 -14.115 96 H GLU 16 H GLU 16 1.859 10.021 -10.102 97 HA GLU 16 HA GLU 16 2.368 8.718 -7.553 98 HB2 GLU 16 1HB GLU 16 0.942 10.973 -8.015 99 HB3 GLU 16 2HB GLU 16 -0.344 9.805 -8.243 100 HG2 GLU 16 1HG GLU 16 1.040 8.938 -5.916 101 HG3 GLU 16 2HG GLU 16 0.933 10.680 -5.760 102 H SER 17 H SER 17 -0.632 8.011 -7.503 103 HA SER 17 HA SER 17 -0.372 5.396 -8.254 104 HB2 SER 17 1HB SER 17 -3.017 5.551 -8.277 105 HB3 SER 17 2HB SER 17 -2.132 5.759 -6.779 106 HG SER 17 HG SER 17 -3.370 7.755 -8.435 107 H ILE 18 H ILE 18 -0.013 4.607 -10.297 108 HA ILE 18 HA ILE 18 -0.750 6.121 -12.590 109 HB ILE 18 HB ILE 18 0.310 3.305 -12.325 110 HG12 ILE 18 1HG1 ILE 18 1.756 5.034 -11.286 111 HG13 ILE 18 2HG1 ILE 18 2.501 4.225 -12.651 112 HG21 ILE 18 1HG2 ILE 18 -0.869 4.131 -14.518 113 HG22 ILE 18 2HG2 ILE 18 0.657 5.016 -14.760 114 HG23 ILE 18 3HG2 ILE 18 0.672 3.244 -14.593 115 HD11 ILE 18 1HD1 ILE 18 2.693 6.167 -13.809 116 HD12 ILE 18 2HD1 ILE 18 0.985 6.578 -13.527 117 HD13 ILE 18 3HD1 ILE 18 2.215 7.002 -12.312 118 H GLY 19 H GLY 19 -2.262 3.672 -10.580 119 HA2 GLY 19 1HA GLY 19 -4.437 3.010 -10.608 120 HA3 GLY 19 2HA GLY 19 -4.703 3.908 -12.089 121 H HIS 20 H HIS 20 -3.842 2.963 -14.168 122 HA HIS 20 HA HIS 20 -4.448 0.174 -14.205 123 HB2 HIS 20 1HB HIS 20 -4.399 0.376 -16.574 124 HB3 HIS 20 2HB HIS 20 -5.195 1.802 -15.938 125 HD1 HIS 20 1HD HIS 20 -2.755 0.875 -18.377 126 HD2 HIS 20 2HD HIS 20 -3.130 4.061 -15.675 127 HE1 HIS 20 1HE HIS 20 -1.237 2.732 -19.247 128 H TYR 21 H TYR 21 -2.535 -0.166 -12.595 129 HA TYR 21 HA TYR 21 0.097 0.091 -13.391 130 HB2 TYR 21 1HB TYR 21 -1.604 -1.671 -11.590 131 HB3 TYR 21 2HB TYR 21 0.055 -2.177 -11.837 132 HD1 TYR 21 1HD TYR 21 -1.578 1.166 -11.287 133 HD2 TYR 21 2HD TYR 21 1.371 -1.656 -10.006 134 HE1 TYR 21 1HE TYR 21 -0.811 2.779 -9.478 135 HE2 TYR 21 2HE TYR 21 2.129 -0.033 -8.201 136 HH TYR 21 HH TYR 21 1.040 1.858 -6.911 137 H GLY 22 H GLY 22 0.599 -0.499 -15.514 138 HA2 GLY 22 1HA GLY 22 1.205 -1.892 -17.170 139 HA3 GLY 22 2HA GLY 22 1.192 -3.199 -16.002 140 H GLY 23 H GLY 23 -0.097 -4.867 -16.629 141 HA2 GLY 23 1HA GLY 23 -2.433 -4.262 -18.307 142 HA3 GLY 23 2HA GLY 23 -1.626 -5.809 -18.140 143 H GLU 24 H GLU 24 -1.431 -5.405 -15.097 144 HA GLU 24 HA GLU 24 -3.868 -6.697 -14.530 145 HB2 GLU 24 1HB GLU 24 -1.335 -6.515 -13.344 146 HB3 GLU 24 2HB GLU 24 -2.376 -5.700 -12.194 147 HG2 GLU 24 1HG GLU 24 -3.213 -7.683 -11.484 148 HG3 GLU 24 2HG GLU 24 -3.750 -8.072 -13.106 149 H THR 25 H THR 25 -4.633 -5.708 -11.995 150 HA THR 25 HA THR 25 -5.272 -2.889 -12.444 151 HB THR 25 HB THR 25 -7.698 -3.784 -11.623 152 HG1 THR 25 1HG THR 25 -6.369 -5.870 -13.208 153 HG21 THR 25 1HG2 THR 25 -6.788 -2.772 -14.001 154 HG22 THR 25 2HG2 THR 25 -7.171 -4.436 -14.505 155 HG23 THR 25 3HG2 THR 25 -8.437 -3.407 -13.793 156 H VAL 26 H VAL 26 -4.895 -1.715 -10.676 157 HA VAL 26 HA VAL 26 -4.724 -3.200 -8.150 158 HB VAL 26 HB VAL 26 -3.328 -1.215 -7.456 159 HG11 VAL 26 1HG1 VAL 26 -1.336 -1.997 -8.934 160 HG12 VAL 26 2HG1 VAL 26 -2.118 -3.171 -7.848 161 HG13 VAL 26 3HG1 VAL 26 -2.497 -3.178 -9.588 162 HG21 VAL 26 1HG2 VAL 26 -4.253 -0.081 -9.799 163 HG22 VAL 26 2HG2 VAL 26 -2.880 0.503 -8.830 164 HG23 VAL 26 3HG2 VAL 26 -2.595 -0.568 -10.223 165 H LYS 27 H LYS 27 -5.403 -1.936 -6.173 166 HA LYS 27 HA LYS 27 -7.638 -0.158 -6.864 167 HB2 LYS 27 1HB LYS 27 -8.574 -2.245 -6.166 168 HB3 LYS 27 2HB LYS 27 -7.490 -2.360 -4.794 169 HG2 LYS 27 1HG LYS 27 -8.556 -0.068 -4.048 170 HG3 LYS 27 2HG LYS 27 -9.827 -0.462 -5.189 171 HD2 LYS 27 1HD LYS 27 -10.520 -1.299 -3.022 172 HD3 LYS 27 2HD LYS 27 -10.128 -2.688 -4.016 173 HE2 LYS 27 1HE LYS 27 -8.171 -3.176 -2.825 174 HE3 LYS 27 2HE LYS 27 -7.909 -1.509 -2.353 175 HZ1 LYS 27 1HZ LYS 27 -10.028 -1.837 -1.009 176 HZ2 LYS 27 2HZ LYS 27 -9.772 -3.438 -1.204 177 HZ3 LYS 27 3HZ LYS 27 -8.654 -2.519 -0.448 178 H ILE 28 H ILE 28 -7.328 1.883 -6.172 179 HA ILE 28 HA ILE 28 -5.328 2.292 -4.089 180 HB ILE 28 HB ILE 28 -6.607 4.124 -6.115 181 HG12 ILE 28 1HG1 ILE 28 -3.883 4.240 -6.435 182 HG13 ILE 28 2HG1 ILE 28 -4.108 2.564 -5.973 183 HG21 ILE 28 1HG2 ILE 28 -5.282 4.756 -3.585 184 HG22 ILE 28 2HG2 ILE 28 -4.507 5.519 -4.994 185 HG23 ILE 28 3HG2 ILE 28 -6.237 5.788 -4.675 186 HD11 ILE 28 1HD1 ILE 28 -4.369 3.414 -8.528 187 HD12 ILE 28 2HD1 ILE 28 -5.301 2.042 -7.883 188 HD13 ILE 28 3HD1 ILE 28 -6.046 3.655 -7.984 189 H VAL 29 H VAL 29 -6.069 2.287 -2.037 190 HA VAL 29 HA VAL 29 -8.705 3.513 -1.598 191 HB VAL 29 HB VAL 29 -8.241 1.936 0.589 192 HG11 VAL 29 1HG1 VAL 29 -9.744 1.387 -1.982 193 HG12 VAL 29 2HG1 VAL 29 -9.857 0.331 -0.553 194 HG13 VAL 29 3HG1 VAL 29 -10.374 2.031 -0.446 195 HG21 VAL 29 1HG2 VAL 29 -7.480 -0.235 -0.136 196 HG22 VAL 29 2HG2 VAL 29 -7.308 0.333 -1.814 197 HG23 VAL 29 3HG2 VAL 29 -6.232 0.967 -0.545 198 H ARG 30 H ARG 30 -8.585 5.445 -0.590 199 HA ARG 30 HA ARG 30 -6.129 6.033 0.796 200 HB2 ARG 30 1HB ARG 30 -8.496 7.742 -0.101 201 HB3 ARG 30 2HB ARG 30 -7.210 8.392 0.897 202 HG2 ARG 30 1HG ARG 30 -5.535 7.687 -0.854 203 HG3 ARG 30 2HG ARG 30 -6.854 7.122 -1.860 204 HD2 ARG 30 1HD ARG 30 -7.705 9.690 -1.273 205 HD3 ARG 30 2HD ARG 30 -5.967 9.912 -1.294 206 HE ARG 30 HE ARG 30 -5.976 9.566 -3.609 207 HH11 ARG 30 2HH2 ARG 30 -8.983 8.339 -2.254 208 HH12 ARG 30 1HH2 ARG 30 -9.697 8.018 -3.799 209 HH21 ARG 30 2HH1 ARG 30 -6.917 9.143 -5.647 210 HH22 ARG 30 1HH1 ARG 30 -8.514 8.478 -5.742 211 H ILE 31 H ILE 31 -6.011 5.821 3.010 212 HA ILE 31 HA ILE 31 -8.548 5.984 4.485 213 HB ILE 31 HB ILE 31 -6.190 4.149 4.779 214 HG12 ILE 31 1HG1 ILE 31 -9.168 3.591 4.820 215 HG13 ILE 31 2HG1 ILE 31 -8.189 3.543 3.368 216 HG21 ILE 31 1HG2 ILE 31 -7.774 3.547 6.934 217 HG22 ILE 31 2HG2 ILE 31 -6.250 4.464 6.993 218 HG23 ILE 31 3HG2 ILE 31 -7.806 5.326 6.930 219 HD11 ILE 31 1HD1 ILE 31 -8.603 1.364 4.927 220 HD12 ILE 31 2HD1 ILE 31 -7.115 1.592 3.978 221 HD13 ILE 31 3HD1 ILE 31 -7.137 2.000 5.711 222 H GLU 32 H GLU 32 -8.622 7.293 6.310 223 HA GLU 32 HA GLU 32 -6.444 9.156 6.465 224 HB2 GLU 32 1HB GLU 32 -9.163 9.059 7.840 225 HB3 GLU 32 2HB GLU 32 -8.004 10.352 8.072 226 HG2 GLU 32 1HG GLU 32 -8.042 10.372 5.371 227 HG3 GLU 32 2HG GLU 32 -9.627 9.670 5.628 228 H LYS 33 H LYS 33 -4.772 8.936 7.883 229 HA LYS 33 HA LYS 33 -5.295 7.333 10.290 230 HB2 LYS 33 1HB LYS 33 -3.834 6.197 8.636 231 HB3 LYS 33 2HB LYS 33 -2.709 7.538 8.720 232 HG2 LYS 33 1HG LYS 33 -2.219 7.111 11.054 233 HG3 LYS 33 2HG LYS 33 -3.568 6.003 11.208 234 HD2 LYS 33 1HD LYS 33 -1.580 5.303 9.086 235 HD3 LYS 33 2HD LYS 33 -0.981 5.213 10.731 236 HE2 LYS 33 1HE LYS 33 -1.983 3.046 9.914 237 HE3 LYS 33 2HE LYS 33 -2.739 3.650 11.375 238 HZ1 LYS 33 1HZ LYS 33 -4.424 3.038 9.875 239 HZ2 LYS 33 2HZ LYS 33 -4.429 4.671 9.911 240 HZ3 LYS 33 3HZ LYS 33 -3.773 3.884 8.639 241 H ALA 34 H ALA 34 -3.949 7.957 12.201 242 HA ALA 34 HA ALA 34 -3.556 10.868 12.173 243 HB1 ALA 34 1HB ALA 34 -3.814 9.334 14.726 244 HB2 ALA 34 2HB ALA 34 -4.450 10.937 14.286 245 HB3 ALA 34 3HB ALA 34 -5.270 9.465 13.712 246 H ARG 35 H ARG 35 -1.848 11.561 13.916 247 HA ARG 35 HA ARG 35 0.524 10.182 13.179 248 HB2 ARG 35 1HB ARG 35 0.160 12.525 15.114 249 HB3 ARG 35 2HB ARG 35 1.675 12.016 14.396 250 HG2 ARG 35 1HG ARG 35 0.195 12.339 12.121 251 HG3 ARG 35 2HG ARG 35 -0.614 13.502 13.153 252 HD2 ARG 35 1HD ARG 35 2.283 13.743 13.464 253 HD3 ARG 35 2HD ARG 35 1.853 13.849 11.769 254 HE ARG 35 HE ARG 35 0.827 15.910 12.184 255 HH11 ARG 35 2HH2 ARG 35 1.238 14.200 15.232 256 HH12 ARG 35 1HH2 ARG 35 0.724 15.541 16.200 257 HH21 ARG 35 2HH1 ARG 35 0.148 17.679 13.462 258 HH22 ARG 35 1HH1 ARG 35 0.100 17.533 15.187 259 H ASP 36 H ASP 36 -1.785 9.363 15.327 260 HA ASP 36 HA ASP 36 0.134 8.066 17.026 261 HB2 ASP 36 1HB ASP 36 -1.001 10.405 17.943 262 HB3 ASP 36 2HB ASP 36 -2.188 9.240 18.497 263 H ILE 37 H ILE 37 -1.941 7.490 14.848 264 HA ILE 37 HA ILE 37 -3.752 5.799 16.427 265 HB ILE 37 HB ILE 37 -4.123 7.485 14.032 266 HG12 ILE 37 1HG1 ILE 37 -5.131 7.501 16.540 267 HG13 ILE 37 2HG1 ILE 37 -5.930 8.218 15.156 268 HG21 ILE 37 1HG2 ILE 37 -5.361 4.732 14.255 269 HG22 ILE 37 2HG2 ILE 37 -6.003 6.035 13.227 270 HG23 ILE 37 3HG2 ILE 37 -4.374 5.385 12.925 271 HD11 ILE 37 1HD1 ILE 37 -6.374 5.314 15.961 272 HD12 ILE 37 2HD1 ILE 37 -7.369 6.651 16.584 273 HD13 ILE 37 3HD1 ILE 37 -7.348 6.296 14.840 274 HA PRO 38 HA PRO 38 -1.430 2.576 14.644 275 HB2 PRO 38 1HB PRO 38 -2.684 0.496 15.897 276 HB3 PRO 38 2HB PRO 38 -1.377 1.407 16.627 277 HG2 PRO 38 1HG PRO 38 -4.272 1.527 17.213 278 HG3 PRO 38 2HG PRO 38 -2.930 2.090 18.189 279 HD2 PRO 38 1HD PRO 38 -4.698 3.704 16.608 280 HD3 PRO 38 2HD PRO 38 -3.286 4.252 17.492 281 H LEU 39 H LEU 39 -1.459 1.473 12.761 282 HA LEU 39 HA LEU 39 -3.563 1.783 11.075 283 HB2 LEU 39 1HB LEU 39 -1.260 1.061 10.514 284 HB3 LEU 39 2HB LEU 39 -1.630 -0.537 11.131 285 HG LEU 39 HG LEU 39 -3.125 -1.012 9.374 286 HD11 LEU 39 1HD1 LEU 39 -3.884 0.656 7.719 287 HD12 LEU 39 2HD1 LEU 39 -4.421 1.033 9.374 288 HD13 LEU 39 3HD1 LEU 39 -3.064 1.930 8.652 289 HD21 LEU 39 1HD2 LEU 39 -1.777 -0.893 7.442 290 HD22 LEU 39 2HD2 LEU 39 -0.995 0.613 7.979 291 HD23 LEU 39 3HD2 LEU 39 -0.647 -0.918 8.817 292 H GLY 40 H GLY 40 -2.893 -1.075 13.207 293 HA2 GLY 40 1HA GLY 40 -4.365 -2.467 14.219 294 HA3 GLY 40 2HA GLY 40 -5.697 -1.499 13.619 295 H ALA 41 H ALA 41 -3.100 -2.923 11.579 296 HA ALA 41 HA ALA 41 -4.916 -5.013 10.695 297 HB1 ALA 41 1HB ALA 41 -4.999 -2.661 9.350 298 HB2 ALA 41 2HB ALA 41 -3.631 -3.435 8.515 299 HB3 ALA 41 3HB ALA 41 -5.217 -4.242 8.562 300 H THR 42 H THR 42 -3.770 -6.877 10.594 301 HA THR 42 HA THR 42 -0.875 -6.697 10.685 302 HB THR 42 HB THR 42 -2.450 -9.279 10.649 303 HG1 THR 42 1HG THR 42 -3.725 -8.128 12.108 304 HG21 THR 42 1HG2 THR 42 -0.920 -9.771 12.574 305 HG22 THR 42 2HG2 THR 42 0.001 -9.339 11.114 306 HG23 THR 42 3HG2 THR 42 -0.216 -8.144 12.415 307 H VAL 43 H VAL 43 0.538 -7.891 9.261 308 HA VAL 43 HA VAL 43 -0.651 -8.690 6.734 309 HB VAL 43 HB VAL 43 0.493 -7.198 5.401 310 HG11 VAL 43 1HG1 VAL 43 -0.057 -5.484 7.842 311 HG12 VAL 43 2HG1 VAL 43 -0.100 -4.992 6.133 312 HG13 VAL 43 3HG1 VAL 43 -1.324 -6.118 6.766 313 HG21 VAL 43 1HG2 VAL 43 2.314 -5.675 6.288 314 HG22 VAL 43 2HG2 VAL 43 2.292 -6.649 7.777 315 HG23 VAL 43 3HG2 VAL 43 2.721 -7.407 6.225 316 H ARG 44 H ARG 44 0.646 -10.200 5.582 317 HA ARG 44 HA ARG 44 2.799 -11.228 7.239 318 HB2 ARG 44 1HB ARG 44 2.436 -13.375 5.958 319 HB3 ARG 44 2HB ARG 44 1.017 -12.861 6.849 320 HG2 ARG 44 1HG ARG 44 0.880 -11.600 4.273 321 HG3 ARG 44 2HG ARG 44 1.309 -13.276 3.993 322 HD2 ARG 44 1HD ARG 44 -0.625 -13.849 5.666 323 HD3 ARG 44 2HD ARG 44 -1.138 -12.189 5.440 324 HE ARG 44 HE ARG 44 -1.966 -12.786 3.344 325 HH11 ARG 44 2HH2 ARG 44 0.502 -15.114 4.276 326 HH12 ARG 44 1HH2 ARG 44 0.254 -16.124 2.891 327 HH21 ARG 44 2HH1 ARG 44 -2.294 -14.118 1.517 328 HH22 ARG 44 1HH1 ARG 44 -1.348 -15.553 1.311 329 H ASN 45 H ASN 45 4.725 -12.173 6.035 330 HA ASN 45 HA ASN 45 5.348 -10.411 3.838 331 HB2 ASN 45 1HB ASN 45 6.906 -10.805 5.862 332 HB3 ASN 45 2HB ASN 45 7.179 -12.422 5.242 333 HD21 ASN 45 1HD2 ASN 45 6.869 -9.191 3.765 334 HD22 ASN 45 2HD2 ASN 45 8.355 -9.214 2.874 335 H GLU 46 H GLU 46 5.161 -11.199 1.735 336 HA GLU 46 HA GLU 46 5.060 -14.089 1.445 337 HB2 GLU 46 1HB GLU 46 3.494 -11.946 0.369 338 HB3 GLU 46 2HB GLU 46 4.351 -12.669 -0.978 339 HG2 GLU 46 1HG GLU 46 2.484 -14.047 0.993 340 HG3 GLU 46 2HG GLU 46 2.285 -13.894 -0.741 341 H MET 47 H MET 47 6.004 -14.939 -0.721 342 HA MET 47 HA MET 47 8.507 -15.030 -0.908 343 HB2 MET 47 1HB MET 47 6.639 -14.344 -3.231 344 HB3 MET 47 2HB MET 47 8.308 -14.793 -3.516 345 HG2 MET 47 1HG MET 47 6.887 -16.645 -1.677 346 HG3 MET 47 2HG MET 47 6.184 -16.579 -3.281 347 HE1 MET 47 1HE MET 47 7.715 -19.323 -4.561 348 HE2 MET 47 2HE MET 47 7.934 -19.680 -2.831 349 HE3 MET 47 3HE MET 47 6.490 -18.796 -3.382 350 H ASP 48 H ASP 48 6.876 -12.172 -2.470 351 HA ASP 48 HA ASP 48 9.061 -10.543 -1.600 352 HB2 ASP 48 1HB ASP 48 8.356 -10.652 -4.566 353 HB3 ASP 48 2HB ASP 48 9.631 -9.704 -3.827 354 H SER 49 H SER 49 6.031 -10.949 -1.330 355 HA SER 49 HA SER 49 5.313 -8.233 -2.083 356 HB2 SER 49 1HB SER 49 3.654 -10.753 -2.501 357 HB3 SER 49 2HB SER 49 2.949 -9.148 -2.521 358 HG SER 49 HG SER 49 3.993 -10.377 -4.588 359 H VAL 50 H VAL 50 3.616 -7.282 -0.671 360 HA VAL 50 HA VAL 50 3.606 -8.605 1.948 361 HB VAL 50 HB VAL 50 3.207 -5.695 1.224 362 HG11 VAL 50 1HG1 VAL 50 2.506 -5.380 3.316 363 HG12 VAL 50 2HG1 VAL 50 2.554 -7.140 3.583 364 HG13 VAL 50 3HG1 VAL 50 3.982 -6.144 3.953 365 HG21 VAL 50 1HG2 VAL 50 5.632 -7.308 1.820 366 HG22 VAL 50 2HG2 VAL 50 5.445 -5.822 0.858 367 HG23 VAL 50 3HG2 VAL 50 5.511 -5.729 2.634 368 H ILE 51 H ILE 51 1.783 -9.830 2.126 369 HA ILE 51 HA ILE 51 -0.697 -8.633 1.114 370 HB ILE 51 HB ILE 51 0.149 -11.492 1.549 371 HG12 ILE 51 1HG1 ILE 51 -0.563 -11.607 -0.897 372 HG13 ILE 51 2HG1 ILE 51 -0.609 -9.855 -0.880 373 HG21 ILE 51 1HG2 ILE 51 -2.061 -12.227 1.029 374 HG22 ILE 51 2HG2 ILE 51 -2.178 -11.079 2.385 375 HG23 ILE 51 3HG2 ILE 51 -2.614 -10.559 0.739 376 HD11 ILE 51 1HD1 ILE 51 1.646 -9.726 -1.060 377 HD12 ILE 51 2HD1 ILE 51 1.869 -10.803 0.340 378 HD13 ILE 51 3HD1 ILE 51 1.662 -11.491 -1.289 379 H ILE 52 H ILE 52 -2.625 -8.781 2.459 380 HA ILE 52 HA ILE 52 -2.049 -8.137 5.146 381 HB ILE 52 HB ILE 52 -4.681 -8.750 3.797 382 HG12 ILE 52 1HG1 ILE 52 -3.254 -6.930 2.753 383 HG13 ILE 52 2HG1 ILE 52 -4.870 -6.469 3.253 384 HG21 ILE 52 1HG2 ILE 52 -4.269 -7.046 6.250 385 HG22 ILE 52 2HG2 ILE 52 -5.775 -7.740 5.603 386 HG23 ILE 52 3HG2 ILE 52 -4.559 -8.799 6.357 387 HD11 ILE 52 1HD1 ILE 52 -4.113 -5.087 4.932 388 HD12 ILE 52 2HD1 ILE 52 -2.742 -6.150 5.330 389 HD13 ILE 52 3HD1 ILE 52 -2.643 -5.057 3.929 390 H SER 53 H SER 53 -2.595 -9.282 7.085 391 HA SER 53 HA SER 53 -2.823 -12.151 6.608 392 HB2 SER 53 1HB SER 53 -0.968 -12.431 7.861 393 HB3 SER 53 2HB SER 53 -0.808 -10.691 7.994 394 HG SER 53 HG SER 53 -0.939 -11.475 10.101 395 H ARG 54 H ARG 54 -3.521 -9.437 8.914 396 HA ARG 54 HA ARG 54 -6.068 -10.669 9.410 397 HB2 ARG 54 1HB ARG 54 -4.861 -11.644 11.248 398 HB3 ARG 54 2HB ARG 54 -3.962 -10.171 11.552 399 HG2 ARG 54 1HG ARG 54 -6.009 -9.029 12.333 400 HG3 ARG 54 2HG ARG 54 -6.985 -10.423 11.914 401 HD2 ARG 54 1HD ARG 54 -6.641 -10.717 14.235 402 HD3 ARG 54 2HD ARG 54 -5.421 -11.763 13.536 403 HE ARG 54 HE ARG 54 -4.954 -9.214 14.947 404 HH11 ARG 54 2HH2 ARG 54 -3.595 -11.716 12.879 405 HH12 ARG 54 1HH2 ARG 54 -1.953 -11.327 13.270 406 HH21 ARG 54 2HH1 ARG 54 -2.788 -8.700 15.463 407 HH22 ARG 54 1HH1 ARG 54 -1.491 -9.600 14.750 408 H ILE 55 H ILE 55 -7.566 -9.108 10.605 409 HA ILE 55 HA ILE 55 -6.653 -6.339 10.241 410 HB ILE 55 HB ILE 55 -9.296 -7.596 9.518 411 HG12 ILE 55 1HG1 ILE 55 -7.513 -7.819 7.847 412 HG13 ILE 55 2HG1 ILE 55 -8.811 -6.783 7.286 413 HG21 ILE 55 1HG2 ILE 55 -10.369 -5.665 9.746 414 HG22 ILE 55 2HG2 ILE 55 -8.957 -5.062 10.646 415 HG23 ILE 55 3HG2 ILE 55 -9.085 -4.774 8.894 416 HD11 ILE 55 1HD1 ILE 55 -5.980 -6.124 7.827 417 HD12 ILE 55 2HD1 ILE 55 -7.159 -5.297 6.781 418 HD13 ILE 55 3HD1 ILE 55 -7.126 -4.956 8.528 419 H VAL 56 H VAL 56 -6.476 -5.351 12.173 420 HA VAL 56 HA VAL 56 -7.835 -6.466 14.447 421 HB VAL 56 HB VAL 56 -6.193 -3.940 14.313 422 HG11 VAL 56 1HG1 VAL 56 -7.455 -4.451 16.405 423 HG12 VAL 56 2HG1 VAL 56 -6.544 -5.974 16.540 424 HG13 VAL 56 3HG1 VAL 56 -5.690 -4.415 16.630 425 HG21 VAL 56 1HG2 VAL 56 -5.344 -6.750 13.932 426 HG22 VAL 56 2HG2 VAL 56 -4.546 -5.232 13.458 427 HG23 VAL 56 3HG2 VAL 56 -4.406 -5.826 15.130 428 H LYS 57 H LYS 57 -9.409 -5.386 15.749 429 HA LYS 57 HA LYS 57 -11.175 -3.757 14.185 430 HB2 LYS 57 1HB LYS 57 -12.274 -5.355 15.483 431 HB3 LYS 57 2HB LYS 57 -11.274 -5.065 16.892 432 HG2 LYS 57 1HG LYS 57 -13.381 -4.030 17.380 433 HG3 LYS 57 2HG LYS 57 -12.288 -2.712 17.008 434 HD2 LYS 57 1HD LYS 57 -14.002 -2.066 15.612 435 HD3 LYS 57 2HD LYS 57 -13.222 -3.175 14.502 436 HE2 LYS 57 1HE LYS 57 -15.361 -4.053 14.395 437 HE3 LYS 57 2HE LYS 57 -14.783 -4.974 15.769 438 HZ1 LYS 57 1HZ LYS 57 -15.975 -2.368 16.250 439 HZ2 LYS 57 2HZ LYS 57 -16.959 -3.628 15.919 440 HZ3 LYS 57 3HZ LYS 57 -15.959 -3.691 17.209 441 H GLY 58 H GLY 58 -11.997 -1.637 14.905 442 HA2 GLY 58 1HA GLY 58 -11.726 0.477 15.623 443 HA3 GLY 58 2HA GLY 58 -10.723 -0.137 16.923 444 H GLY 59 H GLY 59 -9.567 -1.219 13.868 445 HA2 GLY 59 1HA GLY 59 -7.280 0.560 14.065 446 HA3 GLY 59 2HA GLY 59 -7.471 -0.833 13.019 447 H ALA 60 H ALA 60 -6.647 2.082 12.507 448 HA ALA 60 HA ALA 60 -8.609 3.477 11.178 449 HB1 ALA 60 1HB ALA 60 -5.670 3.400 11.318 450 HB2 ALA 60 2HB ALA 60 -6.283 3.992 9.756 451 HB3 ALA 60 3HB ALA 60 -6.775 4.795 11.267 452 H ALA 61 H ALA 61 -6.910 0.515 10.289 453 HA ALA 61 HA ALA 61 -7.556 0.731 7.503 454 HB1 ALA 61 1HB ALA 61 -5.607 -0.541 8.793 455 HB2 ALA 61 2HB ALA 61 -6.812 -1.850 8.850 456 HB3 ALA 61 3HB ALA 61 -6.286 -1.192 7.282 457 H GLU 62 H GLU 62 -8.793 -1.024 10.409 458 HA GLU 62 HA GLU 62 -10.758 -2.389 8.937 459 HB2 GLU 62 1HB GLU 62 -10.062 -3.365 11.003 460 HB3 GLU 62 2HB GLU 62 -10.300 -1.874 11.892 461 HG2 GLU 62 1HG GLU 62 -12.581 -2.189 12.098 462 HG3 GLU 62 2HG GLU 62 -12.734 -2.922 10.514 463 H LYS 63 H LYS 63 -10.850 0.483 11.161 464 HA LYS 63 HA LYS 63 -13.455 1.069 11.197 465 HB2 LYS 63 1HB LYS 63 -10.959 2.606 11.333 466 HB3 LYS 63 2HB LYS 63 -12.323 3.563 10.792 467 HG2 LYS 63 1HG LYS 63 -13.346 3.488 12.838 468 HG3 LYS 63 2HG LYS 63 -13.021 1.778 13.043 469 HD2 LYS 63 1HD LYS 63 -10.576 2.419 13.540 470 HD3 LYS 63 2HD LYS 63 -11.106 4.089 13.586 471 HE2 LYS 63 1HE LYS 63 -12.714 2.169 15.233 472 HE3 LYS 63 2HE LYS 63 -11.074 2.455 15.782 473 HZ1 LYS 63 1HZ LYS 63 -13.305 4.219 15.798 474 HZ2 LYS 63 2HZ LYS 63 -11.944 4.256 16.699 475 HZ3 LYS 63 3HZ LYS 63 -11.954 4.921 15.207 476 H SER 64 H SER 64 -11.231 2.301 8.593 477 HA SER 64 HA SER 64 -13.313 3.250 7.037 478 HB2 SER 64 1HB SER 64 -11.615 3.381 5.232 479 HB3 SER 64 2HB SER 64 -10.991 3.994 6.750 480 HG SER 64 HG SER 64 -10.083 1.746 7.061 481 H GLY 65 H GLY 65 -11.523 0.111 7.059 482 HA2 GLY 65 1HA GLY 65 -12.249 -1.936 6.396 483 HA3 GLY 65 2HA GLY 65 -13.774 -1.240 5.884 484 H LEU 66 H LEU 66 -10.477 -0.181 4.870 485 HA LEU 66 HA LEU 66 -11.284 -0.744 2.119 486 HB2 LEU 66 1HB LEU 66 -8.925 0.893 3.019 487 HB3 LEU 66 2HB LEU 66 -9.701 0.873 1.448 488 HG LEU 66 HG LEU 66 -10.637 2.155 4.004 489 HD11 LEU 66 1HD1 LEU 66 -10.190 4.083 2.978 490 HD12 LEU 66 2HD1 LEU 66 -9.305 3.110 1.779 491 HD13 LEU 66 3HD1 LEU 66 -10.996 3.574 1.475 492 HD21 LEU 66 1HD2 LEU 66 -12.359 1.353 1.653 493 HD22 LEU 66 2HD2 LEU 66 -12.595 0.984 3.378 494 HD23 LEU 66 3HD2 LEU 66 -12.802 2.650 2.788 495 H LEU 67 H LEU 67 -9.465 -2.032 4.715 496 HA LEU 67 HA LEU 67 -7.684 -3.429 2.852 497 HB2 LEU 67 1HB LEU 67 -7.515 -2.812 5.792 498 HB3 LEU 67 2HB LEU 67 -6.533 -4.064 5.058 499 HG LEU 67 HG LEU 67 -5.208 -2.094 5.201 500 HD11 LEU 67 1HD1 LEU 67 -4.317 -2.175 3.131 501 HD12 LEU 67 2HD1 LEU 67 -5.512 -3.474 2.899 502 HD13 LEU 67 3HD1 LEU 67 -5.866 -1.826 2.327 503 HD21 LEU 67 1HD2 LEU 67 -6.656 -0.280 3.465 504 HD22 LEU 67 2HD2 LEU 67 -7.617 -0.712 4.899 505 HD23 LEU 67 3HD2 LEU 67 -5.990 -0.018 5.095 506 H HIS 68 H HIS 68 -7.938 -5.585 2.471 507 HA HIS 68 HA HIS 68 -9.692 -7.034 4.300 508 HB2 HIS 68 1HB HIS 68 -9.918 -6.978 1.280 509 HB3 HIS 68 2HB HIS 68 -10.723 -8.150 2.303 510 HD1 HIS 68 1HD HIS 68 -11.904 -5.654 0.439 511 HD2 HIS 68 2HD HIS 68 -11.864 -6.041 4.616 512 HE1 HIS 68 1HE HIS 68 -13.769 -4.149 1.314 513 H GLU 69 H GLU 69 -8.877 -8.999 4.904 514 HA GLU 69 HA GLU 69 -6.313 -9.655 4.486 515 HB2 GLU 69 1HB GLU 69 -8.700 -11.470 5.015 516 HB3 GLU 69 2HB GLU 69 -7.045 -12.040 5.091 517 HG2 GLU 69 1HG GLU 69 -6.505 -10.593 6.927 518 HG3 GLU 69 2HG GLU 69 -7.919 -9.591 6.667 519 H GLY 70 H GLY 70 -5.078 -10.476 2.836 520 HA2 GLY 70 1HA GLY 70 -4.794 -12.072 1.092 521 HA3 GLY 70 2HA GLY 70 -6.478 -11.876 0.648 522 H ASP 71 H ASP 71 -5.363 -8.807 1.489 523 HA ASP 71 HA ASP 71 -5.217 -8.103 -1.279 524 HB2 ASP 71 1HB ASP 71 -5.502 -6.687 1.346 525 HB3 ASP 71 2HB ASP 71 -4.712 -5.772 0.077 526 H GLU 72 H GLU 72 -3.276 -7.635 -2.368 527 HA GLU 72 HA GLU 72 -0.870 -7.883 -0.785 528 HB2 GLU 72 1HB GLU 72 -1.000 -9.317 -2.748 529 HB3 GLU 72 2HB GLU 72 -1.383 -7.959 -3.787 530 HG2 GLU 72 1HG GLU 72 0.834 -6.984 -3.456 531 HG3 GLU 72 2HG GLU 72 1.220 -8.149 -2.205 532 H VAL 73 H VAL 73 0.481 -6.170 -0.342 533 HA VAL 73 HA VAL 73 -0.382 -3.575 -1.306 534 HB VAL 73 HB VAL 73 1.765 -4.339 0.682 535 HG11 VAL 73 1HG1 VAL 73 0.334 -1.700 0.647 536 HG12 VAL 73 2HG1 VAL 73 1.958 -2.110 1.249 537 HG13 VAL 73 3HG1 VAL 73 1.662 -1.986 -0.502 538 HG21 VAL 73 1HG2 VAL 73 -0.077 -3.504 2.323 539 HG22 VAL 73 2HG2 VAL 73 -1.197 -3.877 0.991 540 HG23 VAL 73 3HG2 VAL 73 -0.174 -5.161 1.679 541 H LEU 74 H LEU 74 0.793 -2.249 -2.682 542 HA LEU 74 HA LEU 74 3.305 -3.396 -3.679 543 HB2 LEU 74 1HB LEU 74 1.412 -1.888 -5.448 544 HB3 LEU 74 2HB LEU 74 2.738 -2.944 -5.890 545 HG LEU 74 HG LEU 74 0.505 -4.209 -4.391 546 HD11 LEU 74 1HD1 LEU 74 -0.160 -2.507 -6.497 547 HD12 LEU 74 2HD1 LEU 74 -0.142 -4.134 -7.220 548 HD13 LEU 74 3HD1 LEU 74 -1.164 -3.802 -5.801 549 HD21 LEU 74 1HD2 LEU 74 1.851 -5.892 -5.008 550 HD22 LEU 74 2HD2 LEU 74 1.033 -5.746 -6.582 551 HD23 LEU 74 3HD2 LEU 74 2.603 -4.950 -6.319 552 H GLU 75 H GLU 75 1.243 -0.438 -3.341 553 HA GLU 75 HA GLU 75 3.676 0.980 -2.682 554 HB2 GLU 75 1HB GLU 75 2.344 1.264 -5.198 555 HB3 GLU 75 2HB GLU 75 2.000 2.720 -4.286 556 HG2 GLU 75 1HG GLU 75 4.447 3.008 -3.826 557 HG3 GLU 75 2HG GLU 75 4.788 1.556 -4.747 558 H ILE 76 H ILE 76 3.333 2.796 -1.268 559 HA ILE 76 HA ILE 76 0.566 3.252 -0.461 560 HB ILE 76 HB ILE 76 2.807 2.337 1.330 561 HG12 ILE 76 1HG1 ILE 76 -0.031 1.339 0.938 562 HG13 ILE 76 2HG1 ILE 76 1.409 0.601 0.265 563 HG21 ILE 76 1HG2 ILE 76 2.108 3.773 2.880 564 HG22 ILE 76 2HG2 ILE 76 0.694 4.254 1.912 565 HG23 ILE 76 3HG2 ILE 76 0.609 2.817 2.958 566 HD11 ILE 76 1HD1 ILE 76 0.575 0.798 3.174 567 HD12 ILE 76 2HD1 ILE 76 1.031 -0.647 2.239 568 HD13 ILE 76 3HD1 ILE 76 2.278 0.522 2.736 569 H ASN 77 H ASN 77 0.284 5.371 -0.908 570 HA ASN 77 HA ASN 77 0.548 7.526 -0.815 571 HB2 ASN 77 1HB ASN 77 2.073 6.643 1.468 572 HB3 ASN 77 2HB ASN 77 3.008 7.905 0.692 573 HD21 ASN 77 1HD2 ASN 77 1.573 7.870 3.239 574 HD22 ASN 77 2HD2 ASN 77 0.452 9.190 3.217 575 H GLY 78 H GLY 78 2.357 5.442 -2.422 576 HA2 GLY 78 1HA GLY 78 3.414 6.190 -4.444 577 HA3 GLY 78 2HA GLY 78 4.173 7.486 -3.542 578 H ILE 79 H ILE 79 4.685 5.647 -1.161 579 HA ILE 79 HA ILE 79 7.245 4.775 -2.014 580 HB ILE 79 HB ILE 79 5.702 4.450 0.558 581 HG12 ILE 79 1HG1 ILE 79 7.929 6.059 0.976 582 HG13 ILE 79 2HG1 ILE 79 7.363 6.562 -0.604 583 HG21 ILE 79 1HG2 ILE 79 7.751 3.694 1.598 584 HG22 ILE 79 2HG2 ILE 79 7.317 2.603 0.260 585 HG23 ILE 79 3HG2 ILE 79 8.618 3.800 0.047 586 HD11 ILE 79 1HD1 ILE 79 5.816 7.819 0.482 587 HD12 ILE 79 2HD1 ILE 79 4.992 6.292 0.880 588 HD13 ILE 79 3HD1 ILE 79 6.149 7.005 2.030 589 H GLU 80 H GLU 80 8.006 2.728 -2.503 590 HA GLU 80 HA GLU 80 6.008 0.893 -3.320 591 HB2 GLU 80 1HB GLU 80 8.598 1.455 -4.110 592 HB3 GLU 80 2HB GLU 80 8.824 -0.050 -3.241 593 HG2 GLU 80 1HG GLU 80 7.165 -1.188 -4.631 594 HG3 GLU 80 2HG GLU 80 6.683 0.319 -5.384 595 H ILE 81 H ILE 81 5.711 -1.307 -2.551 596 HA ILE 81 HA ILE 81 6.688 -1.663 0.198 597 HB ILE 81 HB ILE 81 4.038 -2.410 -1.037 598 HG12 ILE 81 1HG1 ILE 81 4.619 -0.004 -0.160 599 HG13 ILE 81 2HG1 ILE 81 3.074 -0.745 0.207 600 HG21 ILE 81 1HG2 ILE 81 5.427 -3.422 1.393 601 HG22 ILE 81 2HG2 ILE 81 3.690 -3.057 1.530 602 HG23 ILE 81 3HG2 ILE 81 4.261 -4.222 0.312 603 HD11 ILE 81 1HD1 ILE 81 4.406 0.346 2.165 604 HD12 ILE 81 2HD1 ILE 81 3.699 -1.265 2.438 605 HD13 ILE 81 3HD1 ILE 81 5.435 -1.104 2.081 606 H ARG 82 H ARG 82 5.791 -3.229 -2.925 607 HA ARG 82 HA ARG 82 6.246 -5.768 -2.474 608 HB2 ARG 82 1HB ARG 82 6.334 -4.064 -4.742 609 HB3 ARG 82 2HB ARG 82 7.827 -4.979 -4.825 610 HG2 ARG 82 1HG ARG 82 6.522 -6.571 -5.833 611 HG3 ARG 82 2HG ARG 82 6.086 -6.997 -4.190 612 HD2 ARG 82 1HD ARG 82 4.073 -5.593 -4.291 613 HD3 ARG 82 2HD ARG 82 4.547 -4.942 -5.847 614 HE ARG 82 HE ARG 82 3.418 -7.619 -5.332 615 HH11 ARG 82 2HH2 ARG 82 5.059 -5.517 -7.628 616 HH12 ARG 82 1HH2 ARG 82 4.590 -6.448 -9.011 617 HH21 ARG 82 2HH1 ARG 82 2.800 -8.849 -7.156 618 HH22 ARG 82 1HH1 ARG 82 3.297 -8.356 -8.740 619 H GLY 83 H GLY 83 7.823 -6.887 -1.371 620 HA2 GLY 83 1HA GLY 83 10.036 -7.676 -1.258 621 HA3 GLY 83 2HA GLY 83 10.628 -6.125 -1.820 622 H LYS 84 H LYS 84 9.187 -4.328 -0.148 623 HA LYS 84 HA LYS 84 10.769 -4.086 2.016 624 HB2 LYS 84 1HB LYS 84 7.865 -3.288 1.685 625 HB3 LYS 84 2HB LYS 84 8.874 -2.751 3.014 626 HG2 LYS 84 1HG LYS 84 10.543 -2.133 0.958 627 HG3 LYS 84 2HG LYS 84 9.018 -2.025 0.101 628 HD2 LYS 84 1HD LYS 84 8.152 -0.441 1.833 629 HD3 LYS 84 2HD LYS 84 9.673 -0.552 2.697 630 HE2 LYS 84 1HE LYS 84 9.759 0.209 -0.224 631 HE3 LYS 84 2HE LYS 84 9.207 1.414 0.923 632 HZ1 LYS 84 1HZ LYS 84 11.486 0.168 1.936 633 HZ2 LYS 84 2HZ LYS 84 11.802 0.656 0.410 634 HZ3 LYS 84 3HZ LYS 84 11.284 1.735 1.521 635 H ASP 85 H ASP 85 10.839 -4.787 4.166 636 HA ASP 85 HA ASP 85 9.815 -7.359 4.569 637 HB2 ASP 85 1HB ASP 85 11.927 -6.353 5.585 638 HB3 ASP 85 2HB ASP 85 10.905 -5.402 6.644 639 H VAL 86 H VAL 86 8.043 -8.033 5.925 640 HA VAL 86 HA VAL 86 5.802 -6.535 6.040 641 HB VAL 86 HB VAL 86 6.070 -8.969 6.486 642 HG11 VAL 86 1HG1 VAL 86 6.493 -9.711 8.805 643 HG12 VAL 86 2HG1 VAL 86 7.903 -8.888 8.096 644 HG13 VAL 86 3HG1 VAL 86 6.867 -8.032 9.263 645 HG21 VAL 86 1HG2 VAL 86 3.925 -8.746 7.054 646 HG22 VAL 86 2HG2 VAL 86 4.433 -8.526 8.746 647 HG23 VAL 86 3HG2 VAL 86 4.219 -7.109 7.690 648 H ASN 87 H ASN 87 8.589 -6.484 8.274 649 HA ASN 87 HA ASN 87 7.251 -4.929 10.204 650 HB2 ASN 87 1HB ASN 87 9.774 -6.259 9.935 651 HB3 ASN 87 2HB ASN 87 10.156 -4.573 10.224 652 HD21 ASN 87 1HD2 ASN 87 7.912 -7.105 11.338 653 HD22 ASN 87 2HD2 ASN 87 7.986 -6.737 13.029 654 H GLU 88 H GLU 88 9.529 -4.349 7.454 655 HA GLU 88 HA GLU 88 10.120 -1.740 7.880 656 HB2 GLU 88 1HB GLU 88 10.427 -3.620 5.796 657 HB3 GLU 88 2HB GLU 88 9.619 -2.261 5.040 658 HG2 GLU 88 1HG GLU 88 12.194 -2.118 6.679 659 HG3 GLU 88 2HG GLU 88 12.084 -1.999 4.934 660 H VAL 89 H VAL 89 7.219 -3.150 6.249 661 HA VAL 89 HA VAL 89 6.113 -0.726 5.426 662 HB VAL 89 HB VAL 89 4.990 -3.450 6.056 663 HG11 VAL 89 1HG1 VAL 89 2.883 -2.732 4.978 664 HG12 VAL 89 2HG1 VAL 89 3.198 -1.856 6.495 665 HG13 VAL 89 3HG1 VAL 89 3.491 -1.060 4.929 666 HG21 VAL 89 1HG2 VAL 89 6.207 -2.158 3.748 667 HG22 VAL 89 2HG2 VAL 89 5.841 -3.876 4.033 668 HG23 VAL 89 3HG2 VAL 89 4.590 -2.798 3.368 669 H PHE 90 H PHE 90 5.622 -2.689 8.436 670 HA PHE 90 HA PHE 90 3.721 -1.086 9.602 671 HB2 PHE 90 1HB PHE 90 6.095 -2.705 10.694 672 HB3 PHE 90 2HB PHE 90 4.856 -2.054 11.749 673 HD1 PHE 90 1HD PHE 90 3.147 -2.823 8.864 674 HD2 PHE 90 2HD PHE 90 5.079 -4.747 12.116 675 HE1 PHE 90 1HE PHE 90 1.747 -4.871 8.484 676 HE2 PHE 90 2HE PHE 90 3.679 -6.795 11.736 677 HZ PHE 90 HZ PHE 90 2.029 -6.833 9.924 678 H ASP 91 H ASP 91 7.335 -0.868 9.818 679 HA ASP 91 HA ASP 91 7.360 1.225 11.613 680 HB2 ASP 91 1HB ASP 91 9.232 -0.292 10.109 681 HB3 ASP 91 2HB ASP 91 9.541 1.374 9.659 682 H LEU 92 H LEU 92 6.902 1.023 8.083 683 HA LEU 92 HA LEU 92 7.453 3.727 7.501 684 HB2 LEU 92 1HB LEU 92 6.340 1.367 6.127 685 HB3 LEU 92 2HB LEU 92 5.772 2.911 5.525 686 HG LEU 92 HG LEU 92 8.694 2.768 5.908 687 HD11 LEU 92 1HD1 LEU 92 8.649 0.567 5.175 688 HD12 LEU 92 2HD1 LEU 92 7.265 0.844 4.090 689 HD13 LEU 92 3HD1 LEU 92 8.871 1.484 3.666 690 HD21 LEU 92 1HD2 LEU 92 6.788 3.768 3.796 691 HD22 LEU 92 2HD2 LEU 92 7.894 4.691 4.842 692 HD23 LEU 92 3HD2 LEU 92 8.545 3.692 3.520 693 H LEU 93 H LEU 93 4.242 2.023 7.463 694 HA LEU 93 HA LEU 93 2.643 4.181 7.380 695 HB2 LEU 93 1HB LEU 93 2.347 1.543 8.789 696 HB3 LEU 93 2HB LEU 93 1.065 2.737 8.824 697 HG LEU 93 HG LEU 93 0.947 0.882 7.061 698 HD11 LEU 93 1HD1 LEU 93 0.618 3.814 6.419 699 HD12 LEU 93 2HD1 LEU 93 0.107 2.524 5.303 700 HD13 LEU 93 3HD1 LEU 93 -0.616 2.635 6.926 701 HD21 LEU 93 1HD2 LEU 93 3.190 0.870 6.240 702 HD22 LEU 93 2HD2 LEU 93 2.133 1.430 4.922 703 HD23 LEU 93 3HD2 LEU 93 3.116 2.601 5.834 704 H SER 94 H SER 94 3.730 2.621 10.483 705 HA SER 94 HA SER 94 2.687 4.266 12.250 706 HB2 SER 94 1HB SER 94 4.784 2.420 12.239 707 HB3 SER 94 2HB SER 94 5.561 3.881 12.815 708 HG SER 94 HG SER 94 3.951 2.197 14.189 709 H ASP 95 H ASP 95 5.798 4.912 10.481 710 HA ASP 95 HA ASP 95 6.269 7.362 11.645 711 HB2 ASP 95 1HB ASP 95 7.527 5.737 9.788 712 HB3 ASP 95 2HB ASP 95 7.032 7.079 8.777 713 H MET 96 H MET 96 4.495 6.365 8.648 714 HA MET 96 HA MET 96 3.945 9.026 7.877 715 HB2 MET 96 1HB MET 96 2.521 6.431 7.068 716 HB3 MET 96 2HB MET 96 2.538 7.926 6.152 717 HG2 MET 96 1HG MET 96 5.224 7.542 6.355 718 HG3 MET 96 2HG MET 96 4.710 5.872 6.478 719 HE1 MET 96 1HE MET 96 3.276 4.592 4.273 720 HE2 MET 96 2HE MET 96 2.183 5.708 5.127 721 HE3 MET 96 3HE MET 96 2.273 5.737 3.350 722 H HIS 97 H HIS 97 1.598 9.804 7.535 723 HA HIS 97 HA HIS 97 -0.390 8.711 9.227 724 HB2 HIS 97 1HB HIS 97 -0.544 10.924 10.587 725 HB3 HIS 97 2HB HIS 97 0.548 9.653 11.098 726 HD1 HIS 97 1HD HIS 97 1.009 12.476 8.527 727 HD2 HIS 97 2HD HIS 97 2.803 10.902 11.977 728 HE1 HIS 97 1HE HIS 97 3.126 13.845 8.920 729 H GLY 98 H GLY 98 -2.444 10.013 9.076 730 HA2 GLY 98 1HA GLY 98 -3.767 11.614 8.055 731 HA3 GLY 98 2HA GLY 98 -2.455 12.040 6.973 732 H THR 99 H THR 99 -4.220 11.906 5.291 733 HA THR 99 HA THR 99 -5.381 9.385 4.696 734 HB THR 99 HB THR 99 -5.001 11.837 2.903 735 HG1 THR 99 1HG THR 99 -6.538 12.735 4.249 736 HG21 THR 99 1HG2 THR 99 -6.130 9.523 2.134 737 HG22 THR 99 2HG2 THR 99 -7.489 10.126 3.113 738 HG23 THR 99 3HG2 THR 99 -6.896 11.078 1.731 739 H LEU 100 H LEU 100 -3.972 7.704 4.438 740 HA LEU 100 HA LEU 100 -1.727 8.113 2.634 741 HB2 LEU 100 1HB LEU 100 -2.312 5.519 3.986 742 HB3 LEU 100 2HB LEU 100 -0.774 6.246 3.565 743 HG LEU 100 HG LEU 100 -1.837 8.011 5.441 744 HD11 LEU 100 1HD1 LEU 100 -2.103 6.054 7.306 745 HD12 LEU 100 2HD1 LEU 100 -3.462 6.866 6.491 746 HD13 LEU 100 3HD1 LEU 100 -2.884 5.289 5.901 747 HD21 LEU 100 1HD2 LEU 100 0.452 7.602 5.467 748 HD22 LEU 100 2HD2 LEU 100 -0.116 6.835 6.969 749 HD23 LEU 100 3HD2 LEU 100 0.241 5.836 5.540 750 H THR 101 H THR 101 -1.489 7.063 0.646 751 HA THR 101 HA THR 101 -3.999 5.992 -0.417 752 HB THR 101 HB THR 101 -1.465 7.200 -1.621 753 HG1 THR 101 1HG THR 101 -3.004 8.825 -2.045 754 HG21 THR 101 1HG2 THR 101 -3.262 6.999 -3.696 755 HG22 THR 101 2HG2 THR 101 -1.921 5.854 -3.452 756 HG23 THR 101 3HG2 THR 101 -3.553 5.452 -2.866 757 H PHE 102 H PHE 102 -4.222 3.865 0.014 758 HA PHE 102 HA PHE 102 -1.857 2.191 -0.169 759 HB2 PHE 102 1HB PHE 102 -4.808 1.756 0.589 760 HB3 PHE 102 2HB PHE 102 -3.607 0.483 0.665 761 HD1 PHE 102 2HD PHE 102 -4.555 3.760 2.094 762 HD2 PHE 102 1HD PHE 102 -2.159 0.284 2.525 763 HE1 PHE 102 2HE PHE 102 -3.964 4.458 4.431 764 HE2 PHE 102 1HE PHE 102 -1.568 0.982 4.862 765 HZ PHE 102 HZ PHE 102 -2.477 3.061 5.787 766 H VAL 103 H VAL 103 -1.323 1.156 -2.028 767 HA VAL 103 HA VAL 103 -3.492 0.721 -3.962 768 HB VAL 103 HB VAL 103 -0.540 0.863 -4.555 769 HG11 VAL 103 1HG1 VAL 103 -2.771 0.132 -6.090 770 HG12 VAL 103 2HG1 VAL 103 -2.366 1.783 -6.616 771 HG13 VAL 103 3HG1 VAL 103 -1.132 0.502 -6.678 772 HG21 VAL 103 1HG2 VAL 103 -0.657 3.022 -3.894 773 HG22 VAL 103 2HG2 VAL 103 -1.486 3.253 -5.452 774 HG23 VAL 103 3HG2 VAL 103 -2.436 3.058 -3.959 775 H LEU 104 H LEU 104 -4.224 -1.309 -3.311 776 HA LEU 104 HA LEU 104 -2.231 -3.433 -3.615 777 HB2 LEU 104 1HB LEU 104 -3.772 -4.564 -1.777 778 HB3 LEU 104 2HB LEU 104 -2.335 -3.639 -1.389 779 HG LEU 104 HG LEU 104 -4.152 -1.645 -1.325 780 HD11 LEU 104 1HD1 LEU 104 -5.796 -3.743 -0.006 781 HD12 LEU 104 2HD1 LEU 104 -6.279 -2.223 -0.796 782 HD13 LEU 104 3HD1 LEU 104 -5.867 -3.647 -1.782 783 HD21 LEU 104 1HD2 LEU 104 -3.665 -3.530 0.996 784 HD22 LEU 104 2HD2 LEU 104 -2.509 -2.304 0.422 785 HD23 LEU 104 3HD2 LEU 104 -4.087 -1.803 1.075 786 H ILE 105 H ILE 105 -3.327 -5.598 -4.063 787 HA ILE 105 HA ILE 105 -5.670 -5.071 -5.750 788 HB ILE 105 HB ILE 105 -3.687 -7.331 -5.988 789 HG12 ILE 105 1HG1 ILE 105 -3.721 -4.854 -7.717 790 HG13 ILE 105 2HG1 ILE 105 -2.733 -4.957 -6.274 791 HG21 ILE 105 1HG2 ILE 105 -5.975 -7.654 -6.946 792 HG22 ILE 105 2HG2 ILE 105 -5.671 -6.259 -8.009 793 HG23 ILE 105 3HG2 ILE 105 -4.656 -7.716 -8.140 794 HD11 ILE 105 1HD1 ILE 105 -2.062 -7.336 -7.406 795 HD12 ILE 105 2HD1 ILE 105 -2.458 -6.411 -8.875 796 HD13 ILE 105 3HD1 ILE 105 -1.200 -5.820 -7.763 797 HA PRO 106 HA PRO 106 -7.814 -7.568 -2.917 798 HB2 PRO 106 1HB PRO 106 -10.239 -7.586 -4.177 799 HB3 PRO 106 2HB PRO 106 -9.717 -6.288 -3.122 800 HG2 PRO 106 1HG PRO 106 -9.880 -6.326 -6.074 801 HG3 PRO 106 2HG PRO 106 -9.778 -4.947 -4.998 802 HD2 PRO 106 1HD PRO 106 -7.657 -6.045 -6.587 803 HD3 PRO 106 2HD PRO 106 -7.528 -4.740 -5.424 804 H SER 107 H SER 107 -7.413 -9.653 -2.586 805 HA SER 107 HA SER 107 -7.187 -11.281 -4.896 806 HB2 SER 107 1HB SER 107 -5.654 -11.816 -3.181 807 HB3 SER 107 2HB SER 107 -6.863 -11.694 -1.918 808 HG SER 107 HG SER 107 -6.393 -13.905 -2.293 809 H SER 108 H SER 108 -9.591 -10.667 -5.453 810 HA SER 108 HA SER 108 -11.515 -11.625 -5.930 811 HB2 SER 108 1HB SER 108 -10.310 -13.829 -5.002 812 HB3 SER 108 2HB SER 108 -11.417 -13.610 -3.662 813 HG SER 108 HG SER 108 -12.803 -14.651 -4.927 814 H GLY 109 H GLY 109 -10.467 -10.259 -3.024 815 HA2 GLY 109 1HA GLY 109 -11.495 -9.374 -1.204 816 HA3 GLY 109 2HA GLY 109 -12.584 -8.739 -2.422 817 HA PRO 110 HA PRO 110 -15.691 -11.071 -0.467 818 HB2 PRO 110 1HB PRO 110 -17.727 -10.684 -2.248 819 HB3 PRO 110 2HB PRO 110 -17.296 -9.515 -1.015 820 HG2 PRO 110 1HG PRO 110 -16.759 -9.427 -3.921 821 HG3 PRO 110 2HG PRO 110 -16.726 -8.116 -2.759 822 HD2 PRO 110 1HD PRO 110 -14.461 -9.464 -3.890 823 HD3 PRO 110 2HD PRO 110 -14.433 -8.234 -2.643 824 H SER 111 H SER 111 -14.517 -13.067 -0.607 825 HA SER 111 HA SER 111 -15.576 -14.641 -2.822 826 HB2 SER 111 1HB SER 111 -13.096 -14.364 -2.832 827 HB3 SER 111 2HB SER 111 -13.010 -15.059 -1.225 828 HG SER 111 HG SER 111 -14.004 -17.029 -2.144 829 H SER 112 H SER 112 -17.516 -15.285 -1.726 830 HA SER 112 HA SER 112 -17.099 -16.677 0.785 831 HB2 SER 112 1HB SER 112 -19.488 -16.452 1.139 832 HB3 SER 112 2HB SER 112 -18.863 -14.892 0.643 833 HG SER 112 HG SER 112 -20.916 -15.898 -0.427 834 H GLY 113 H GLY 113 -17.759 -18.885 1.060 835 HA2 GLY 113 1HA GLY 113 -18.266 -20.308 -1.484 836 HA3 GLY 113 2HA GLY 113 -17.310 -20.938 -0.157 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 5.524 35.217 -40.737 2 HA2 GLY 1 1HA GLY 1 6.963 36.048 -38.301 3 HA3 GLY 1 2HA GLY 1 5.368 35.330 -38.185 4 H SER 2 H SER 2 7.175 33.917 -36.851 5 HA SER 2 HA SER 2 7.369 31.545 -38.429 6 HB2 SER 2 1HB SER 2 9.735 31.200 -38.234 7 HB3 SER 2 2HB SER 2 9.527 32.818 -38.875 8 HG SER 2 HG SER 2 11.089 32.833 -37.177 9 H SER 3 H SER 3 8.316 29.688 -36.936 10 HA SER 3 HA SER 3 6.902 29.933 -34.475 11 HB2 SER 3 1HB SER 3 8.028 27.769 -36.140 12 HB3 SER 3 2HB SER 3 8.241 27.480 -34.425 13 HG SER 3 HG SER 3 6.196 26.654 -35.292 14 H GLY 4 H GLY 4 8.104 28.835 -32.442 15 HA2 GLY 4 1HA GLY 4 10.938 29.435 -32.315 16 HA3 GLY 4 2HA GLY 4 9.913 30.508 -31.383 17 H SER 5 H SER 5 8.082 29.221 -30.065 18 HA SER 5 HA SER 5 9.292 27.910 -28.071 19 HB2 SER 5 1HB SER 5 6.457 27.662 -29.140 20 HB3 SER 5 2HB SER 5 6.954 26.855 -27.667 21 HG SER 5 HG SER 5 7.826 29.367 -27.404 22 H SER 6 H SER 6 8.842 25.495 -27.370 23 HA SER 6 HA SER 6 8.586 23.635 -29.474 24 HB2 SER 6 1HB SER 6 11.030 24.536 -29.624 25 HB3 SER 6 2HB SER 6 11.317 23.647 -28.142 26 HG SER 6 HG SER 6 11.804 22.460 -30.168 27 H GLY 7 H GLY 7 9.147 21.297 -28.517 28 HA2 GLY 7 1HA GLY 7 8.623 21.286 -25.611 29 HA3 GLY 7 2HA GLY 7 7.618 20.365 -26.713 30 HA PRO 8 HA PRO 8 11.972 18.445 -26.387 31 HB2 PRO 8 1HB PRO 8 13.216 18.767 -23.975 32 HB3 PRO 8 2HB PRO 8 13.590 19.740 -25.383 33 HG2 PRO 8 1HG PRO 8 12.041 20.481 -22.977 34 HG3 PRO 8 2HG PRO 8 12.779 21.528 -24.172 35 HD2 PRO 8 1HD PRO 8 9.994 20.881 -23.943 36 HD3 PRO 8 2HD PRO 8 10.748 21.833 -25.206 37 H ILE 9 H ILE 9 13.022 16.712 -24.644 38 HA ILE 9 HA ILE 9 10.811 14.967 -24.291 39 HB ILE 9 HB ILE 9 13.690 14.749 -23.406 40 HG12 ILE 9 1HG1 ILE 9 12.656 13.207 -25.721 41 HG13 ILE 9 2HG1 ILE 9 12.824 14.934 -25.970 42 HG21 ILE 9 1HG2 ILE 9 12.877 13.055 -22.172 43 HG22 ILE 9 2HG2 ILE 9 11.353 12.972 -23.088 44 HG23 ILE 9 3HG2 ILE 9 12.821 12.198 -23.731 45 HD11 ILE 9 1HD1 ILE 9 15.193 14.385 -24.681 46 HD12 ILE 9 2HD1 ILE 9 14.923 12.866 -25.569 47 HD13 ILE 9 3HD1 ILE 9 15.000 14.411 -26.450 48 H THR 10 H THR 10 9.639 14.460 -22.468 49 HA THR 10 HA THR 10 10.417 15.893 -20.013 50 HB THR 10 HB THR 10 7.600 15.432 -21.129 51 HG1 THR 10 1HG THR 10 9.394 17.745 -20.876 52 HG21 THR 10 1HG2 THR 10 7.260 17.434 -19.429 53 HG22 THR 10 2HG2 THR 10 7.303 15.772 -18.794 54 HG23 THR 10 3HG2 THR 10 8.744 16.809 -18.671 55 H ASP 11 H ASP 11 9.792 14.886 -17.999 56 HA ASP 11 HA ASP 11 10.173 12.088 -18.187 57 HB2 ASP 11 1HB ASP 11 9.889 12.246 -15.637 58 HB3 ASP 11 2HB ASP 11 11.211 13.166 -16.327 59 H GLU 12 H GLU 12 8.372 10.877 -18.863 60 HA GLU 12 HA GLU 12 5.753 11.763 -18.183 61 HB2 GLU 12 1HB GLU 12 5.071 9.651 -19.422 62 HB3 GLU 12 2HB GLU 12 6.030 10.780 -20.357 63 HG2 GLU 12 1HG GLU 12 7.992 9.443 -20.212 64 HG3 GLU 12 2HG GLU 12 7.405 8.560 -18.816 65 H ARG 13 H ARG 13 6.843 11.521 -15.764 66 HA ARG 13 HA ARG 13 5.450 9.257 -14.719 67 HB2 ARG 13 1HB ARG 13 7.502 8.660 -13.249 68 HB3 ARG 13 2HB ARG 13 7.561 8.149 -14.924 69 HG2 ARG 13 1HG ARG 13 8.724 10.522 -15.297 70 HG3 ARG 13 2HG ARG 13 9.055 10.410 -13.579 71 HD2 ARG 13 1HD ARG 13 10.512 8.604 -13.826 72 HD3 ARG 13 2HD ARG 13 9.670 7.970 -15.225 73 HE ARG 13 HE ARG 13 11.748 10.070 -15.226 74 HH11 ARG 13 2HH2 ARG 13 9.259 8.385 -17.055 75 HH12 ARG 13 1HH2 ARG 13 9.904 8.841 -18.597 76 HH21 ARG 13 2HH1 ARG 13 12.599 10.672 -17.259 77 HH22 ARG 13 1HH1 ARG 13 11.817 10.151 -18.714 78 H VAL 14 H VAL 14 4.228 11.333 -14.121 79 HA VAL 14 HA VAL 14 5.111 12.167 -11.496 80 HB VAL 14 HB VAL 14 4.408 14.282 -13.515 81 HG11 VAL 14 1HG1 VAL 14 4.339 15.440 -11.588 82 HG12 VAL 14 2HG1 VAL 14 5.211 14.178 -10.685 83 HG13 VAL 14 3HG1 VAL 14 6.116 15.366 -11.653 84 HG21 VAL 14 1HG2 VAL 14 6.375 13.119 -14.403 85 HG22 VAL 14 2HG2 VAL 14 6.806 14.741 -13.811 86 HG23 VAL 14 3HG2 VAL 14 7.203 13.304 -12.839 87 H TYR 15 H TYR 15 2.949 10.554 -12.986 88 HA TYR 15 HA TYR 15 0.609 12.154 -12.261 89 HB2 TYR 15 1HB TYR 15 0.817 9.378 -13.560 90 HB3 TYR 15 2HB TYR 15 -0.531 10.491 -13.683 91 HD1 TYR 15 1HD TYR 15 2.945 9.850 -14.801 92 HD2 TYR 15 2HD TYR 15 -0.575 12.219 -15.348 93 HE1 TYR 15 1HE TYR 15 3.891 10.767 -16.975 94 HE2 TYR 15 2HE TYR 15 0.383 13.129 -17.520 95 HH TYR 15 HH TYR 15 3.233 11.769 -18.941 96 H GLU 16 H GLU 16 -1.261 10.805 -11.272 97 HA GLU 16 HA GLU 16 -0.191 9.645 -8.902 98 HB2 GLU 16 1HB GLU 16 -2.363 11.159 -9.321 99 HB3 GLU 16 2HB GLU 16 -3.135 9.602 -9.543 100 HG2 GLU 16 1HG GLU 16 -1.885 8.967 -7.285 101 HG3 GLU 16 2HG GLU 16 -1.775 10.702 -7.069 102 H SER 17 H SER 17 -2.744 7.863 -8.744 103 HA SER 17 HA SER 17 -1.472 5.506 -9.422 104 HB2 SER 17 1HB SER 17 -3.692 4.448 -8.971 105 HB3 SER 17 2HB SER 17 -3.220 5.582 -7.722 106 HG SER 17 HG SER 17 -4.565 7.208 -8.909 107 H ILE 18 H ILE 18 -1.291 4.397 -11.347 108 HA ILE 18 HA ILE 18 -2.559 5.555 -13.661 109 HB ILE 18 HB ILE 18 -0.654 3.228 -13.382 110 HG12 ILE 18 1HG1 ILE 18 0.246 5.400 -12.560 111 HG13 ILE 18 2HG1 ILE 18 1.112 4.741 -13.933 112 HG21 ILE 18 1HG2 ILE 18 -2.046 3.213 -15.450 113 HG22 ILE 18 2HG2 ILE 18 -1.379 4.811 -15.860 114 HG23 ILE 18 3HG2 ILE 18 -0.301 3.399 -15.749 115 HD11 ILE 18 1HD1 ILE 18 -1.090 6.843 -14.162 116 HD12 ILE 18 2HD1 ILE 18 0.652 7.209 -14.134 117 HD13 ILE 18 3HD1 ILE 18 -0.036 6.260 -15.473 118 H GLY 19 H GLY 19 -3.055 2.917 -11.399 119 HA2 GLY 19 1HA GLY 19 -4.996 1.710 -11.184 120 HA3 GLY 19 2HA GLY 19 -5.518 2.224 -12.777 121 H HIS 20 H HIS 20 -4.340 1.272 -14.713 122 HA HIS 20 HA HIS 20 -4.185 -1.533 -14.362 123 HB2 HIS 20 1HB HIS 20 -3.635 0.268 -16.734 124 HB3 HIS 20 2HB HIS 20 -3.588 -1.482 -16.810 125 HD1 HIS 20 1HD HIS 20 -5.684 -2.358 -17.824 126 HD2 HIS 20 2HD HIS 20 -6.400 0.999 -15.414 127 HE1 HIS 20 1HE HIS 20 -8.202 -1.951 -17.894 128 H TYR 21 H TYR 21 -2.444 -1.357 -12.623 129 HA TYR 21 HA TYR 21 0.151 -0.534 -13.302 130 HB2 TYR 21 1HB TYR 21 -1.304 -2.254 -11.263 131 HB3 TYR 21 2HB TYR 21 0.437 -2.435 -11.327 132 HD1 TYR 21 1HD TYR 21 -1.551 0.691 -11.819 133 HD2 TYR 21 2HD TYR 21 1.146 -1.474 -9.300 134 HE1 TYR 21 1HE TYR 21 -1.278 2.740 -10.338 135 HE2 TYR 21 2HE TYR 21 1.409 0.582 -7.828 136 HH TYR 21 HH TYR 21 0.111 2.579 -7.279 137 H GLY 22 H GLY 22 0.507 -1.458 -15.457 138 HA2 GLY 22 1HA GLY 22 1.557 -2.950 -16.777 139 HA3 GLY 22 2HA GLY 22 1.966 -3.883 -15.352 140 H GLY 23 H GLY 23 -1.010 -3.023 -17.269 141 HA2 GLY 23 1HA GLY 23 -2.551 -4.381 -18.221 142 HA3 GLY 23 2HA GLY 23 -1.580 -5.779 -17.804 143 H GLU 24 H GLU 24 -1.382 -5.835 -15.092 144 HA GLU 24 HA GLU 24 -3.812 -6.812 -14.313 145 HB2 GLU 24 1HB GLU 24 -1.239 -6.711 -13.260 146 HB3 GLU 24 2HB GLU 24 -2.150 -5.773 -12.094 147 HG2 GLU 24 1HG GLU 24 -3.091 -7.649 -11.235 148 HG3 GLU 24 2HG GLU 24 -3.702 -8.117 -12.809 149 H THR 25 H THR 25 -4.484 -5.779 -11.788 150 HA THR 25 HA THR 25 -5.041 -2.943 -12.216 151 HB THR 25 HB THR 25 -7.493 -3.809 -11.367 152 HG1 THR 25 1HG THR 25 -7.635 -5.962 -11.874 153 HG21 THR 25 1HG2 THR 25 -7.609 -2.547 -13.350 154 HG22 THR 25 2HG2 THR 25 -6.315 -3.483 -14.136 155 HG23 THR 25 3HG2 THR 25 -7.949 -4.173 -13.988 156 H VAL 26 H VAL 26 -4.678 -1.788 -10.427 157 HA VAL 26 HA VAL 26 -4.534 -3.312 -7.921 158 HB VAL 26 HB VAL 26 -3.119 -1.252 -7.257 159 HG11 VAL 26 1HG1 VAL 26 -1.813 -3.106 -7.273 160 HG12 VAL 26 2HG1 VAL 26 -2.402 -3.642 -8.864 161 HG13 VAL 26 3HG1 VAL 26 -1.160 -2.372 -8.758 162 HG21 VAL 26 1HG2 VAL 26 -3.826 -0.100 -9.490 163 HG22 VAL 26 2HG2 VAL 26 -2.154 0.072 -8.907 164 HG23 VAL 26 3HG2 VAL 26 -2.528 -1.086 -10.205 165 H LYS 27 H LYS 27 -5.756 -2.664 -6.164 166 HA LYS 27 HA LYS 27 -7.697 -0.563 -6.755 167 HB2 LYS 27 1HB LYS 27 -8.311 -2.984 -6.065 168 HB3 LYS 27 2HB LYS 27 -7.827 -2.506 -4.451 169 HG2 LYS 27 1HG LYS 27 -9.448 -0.371 -5.343 170 HG3 LYS 27 2HG LYS 27 -10.257 -1.803 -5.948 171 HD2 LYS 27 1HD LYS 27 -10.301 -2.795 -3.691 172 HD3 LYS 27 2HD LYS 27 -9.349 -1.470 -3.051 173 HE2 LYS 27 1HE LYS 27 -11.222 -0.233 -2.721 174 HE3 LYS 27 2HE LYS 27 -11.631 -0.342 -4.421 175 HZ1 LYS 27 1HZ LYS 27 -12.311 -2.306 -2.346 176 HZ2 LYS 27 2HZ LYS 27 -13.346 -1.319 -3.134 177 HZ3 LYS 27 3HZ LYS 27 -12.597 -2.527 -3.939 178 H ILE 28 H ILE 28 -7.242 1.440 -6.034 179 HA ILE 28 HA ILE 28 -5.338 1.720 -3.870 180 HB ILE 28 HB ILE 28 -6.678 3.723 -5.688 181 HG12 ILE 28 1HG1 ILE 28 -4.139 3.886 -6.396 182 HG13 ILE 28 2HG1 ILE 28 -4.061 2.256 -5.756 183 HG21 ILE 28 1HG2 ILE 28 -5.014 4.056 -3.264 184 HG22 ILE 28 2HG2 ILE 28 -4.546 5.037 -4.673 185 HG23 ILE 28 3HG2 ILE 28 -6.196 5.155 -4.016 186 HD11 ILE 28 1HD1 ILE 28 -4.626 2.467 -8.255 187 HD12 ILE 28 2HD1 ILE 28 -5.727 1.452 -7.292 188 HD13 ILE 28 3HD1 ILE 28 -6.207 3.106 -7.743 189 H VAL 29 H VAL 29 -5.779 2.772 -1.876 190 HA VAL 29 HA VAL 29 -8.540 3.467 -1.337 191 HB VAL 29 HB VAL 29 -8.127 1.987 0.851 192 HG11 VAL 29 1HG1 VAL 29 -9.236 1.014 -1.803 193 HG12 VAL 29 2HG1 VAL 29 -9.511 0.216 -0.235 194 HG13 VAL 29 3HG1 VAL 29 -10.119 1.866 -0.513 195 HG21 VAL 29 1HG2 VAL 29 -7.077 0.021 -1.121 196 HG22 VAL 29 2HG2 VAL 29 -5.921 1.222 -0.494 197 HG23 VAL 29 3HG2 VAL 29 -6.796 0.156 0.632 198 H ARG 30 H ARG 30 -8.465 5.405 -0.337 199 HA ARG 30 HA ARG 30 -5.988 6.058 1.005 200 HB2 ARG 30 1HB ARG 30 -8.340 7.855 0.221 201 HB3 ARG 30 2HB ARG 30 -6.817 8.417 0.881 202 HG2 ARG 30 1HG ARG 30 -5.590 7.757 -1.074 203 HG3 ARG 30 2HG ARG 30 -6.891 6.735 -1.652 204 HD2 ARG 30 1HD ARG 30 -8.246 9.079 -1.605 205 HD3 ARG 30 2HD ARG 30 -6.630 9.734 -1.780 206 HE ARG 30 HE ARG 30 -7.043 7.563 -3.647 207 HH11 ARG 30 2HH2 ARG 30 -7.837 10.947 -3.099 208 HH12 ARG 30 1HH2 ARG 30 -8.044 11.303 -4.782 209 HH21 ARG 30 2HH1 ARG 30 -7.316 8.033 -5.867 210 HH22 ARG 30 1HH1 ARG 30 -7.745 9.634 -6.367 211 H ILE 31 H ILE 31 -5.930 5.826 3.218 212 HA ILE 31 HA ILE 31 -8.484 6.110 4.642 213 HB ILE 31 HB ILE 31 -6.125 4.302 5.097 214 HG12 ILE 31 1HG1 ILE 31 -9.100 3.762 4.860 215 HG13 ILE 31 2HG1 ILE 31 -7.926 3.544 3.577 216 HG21 ILE 31 1HG2 ILE 31 -7.648 5.627 7.123 217 HG22 ILE 31 2HG2 ILE 31 -8.062 3.896 7.130 218 HG23 ILE 31 3HG2 ILE 31 -6.365 4.406 7.297 219 HD11 ILE 31 1HD1 ILE 31 -8.600 1.488 5.090 220 HD12 ILE 31 2HD1 ILE 31 -6.894 1.713 4.635 221 HD13 ILE 31 3HD1 ILE 31 -7.456 2.204 6.251 222 H GLU 32 H GLU 32 -8.623 7.602 6.279 223 HA GLU 32 HA GLU 32 -6.413 9.406 6.453 224 HB2 GLU 32 1HB GLU 32 -9.197 9.406 7.692 225 HB3 GLU 32 2HB GLU 32 -8.025 10.677 7.980 226 HG2 GLU 32 1HG GLU 32 -7.892 10.637 5.276 227 HG3 GLU 32 2HG GLU 32 -9.514 9.998 5.454 228 H LYS 33 H LYS 33 -4.711 8.837 7.751 229 HA LYS 33 HA LYS 33 -5.378 7.554 10.305 230 HB2 LYS 33 1HB LYS 33 -3.672 6.692 8.312 231 HB3 LYS 33 2HB LYS 33 -2.573 7.482 9.425 232 HG2 LYS 33 1HG LYS 33 -3.304 6.103 11.280 233 HG3 LYS 33 2HG LYS 33 -4.679 5.497 10.379 234 HD2 LYS 33 1HD LYS 33 -3.419 3.782 9.605 235 HD3 LYS 33 2HD LYS 33 -2.360 4.921 8.798 236 HE2 LYS 33 1HE LYS 33 -1.095 5.212 10.982 237 HE3 LYS 33 2HE LYS 33 -2.099 3.960 11.687 238 HZ1 LYS 33 1HZ LYS 33 -0.030 3.720 9.687 239 HZ2 LYS 33 2HZ LYS 33 -0.405 2.719 10.922 240 HZ3 LYS 33 3HZ LYS 33 -1.298 2.700 9.555 241 H ALA 34 H ALA 34 -4.004 8.202 12.188 242 HA ALA 34 HA ALA 34 -3.378 11.065 11.976 243 HB1 ALA 34 1HB ALA 34 -5.306 10.163 13.478 244 HB2 ALA 34 2HB ALA 34 -4.000 9.583 14.539 245 HB3 ALA 34 3HB ALA 34 -4.152 11.320 14.183 246 H ARG 35 H ARG 35 -1.674 11.730 13.733 247 HA ARG 35 HA ARG 35 0.580 10.076 13.203 248 HB2 ARG 35 1HB ARG 35 0.526 12.537 15.004 249 HB3 ARG 35 2HB ARG 35 1.889 11.902 14.103 250 HG2 ARG 35 1HG ARG 35 0.443 12.347 11.969 251 HG3 ARG 35 2HG ARG 35 -0.572 13.320 13.015 252 HD2 ARG 35 1HD ARG 35 2.309 13.914 13.353 253 HD3 ARG 35 2HD ARG 35 1.749 14.196 11.716 254 HE ARG 35 HE ARG 35 -0.217 15.354 13.329 255 HH11 ARG 35 2HH2 ARG 35 3.258 15.748 12.940 256 HH12 ARG 35 1HH2 ARG 35 3.249 17.418 13.400 257 HH21 ARG 35 2HH1 ARG 35 -0.230 17.557 13.936 258 HH22 ARG 35 1HH1 ARG 35 1.252 18.454 13.971 259 H ASP 36 H ASP 36 -1.847 9.599 15.277 260 HA ASP 36 HA ASP 36 -0.085 8.418 17.230 261 HB2 ASP 36 1HB ASP 36 -1.282 10.826 17.827 262 HB3 ASP 36 2HB ASP 36 -2.529 9.717 18.364 263 H ILE 37 H ILE 37 -2.019 7.705 14.923 264 HA ILE 37 HA ILE 37 -3.904 6.085 16.491 265 HB ILE 37 HB ILE 37 -4.174 7.648 13.994 266 HG12 ILE 37 1HG1 ILE 37 -5.249 7.882 16.437 267 HG13 ILE 37 2HG1 ILE 37 -6.054 8.428 14.979 268 HG21 ILE 37 1HG2 ILE 37 -4.436 5.539 12.964 269 HG22 ILE 37 2HG2 ILE 37 -5.373 4.896 14.333 270 HG23 ILE 37 3HG2 ILE 37 -6.082 6.139 13.276 271 HD11 ILE 37 1HD1 ILE 37 -7.447 6.965 16.576 272 HD12 ILE 37 2HD1 ILE 37 -7.435 6.468 14.867 273 HD13 ILE 37 3HD1 ILE 37 -6.427 5.603 16.051 274 HA PRO 38 HA PRO 38 -1.593 2.749 14.951 275 HB2 PRO 38 1HB PRO 38 -3.099 0.717 15.986 276 HB3 PRO 38 2HB PRO 38 -1.873 1.565 16.906 277 HG2 PRO 38 1HG PRO 38 -4.814 1.806 17.075 278 HG3 PRO 38 2HG PRO 38 -3.603 2.304 18.240 279 HD2 PRO 38 1HD PRO 38 -5.058 4.003 16.445 280 HD3 PRO 38 2HD PRO 38 -3.766 4.483 17.527 281 H LEU 39 H LEU 39 -1.673 0.867 13.505 282 HA LEU 39 HA LEU 39 -3.486 1.515 11.390 283 HB2 LEU 39 1HB LEU 39 -1.138 0.859 11.035 284 HB3 LEU 39 2HB LEU 39 -1.488 -0.734 11.676 285 HG LEU 39 HG LEU 39 -3.207 -0.966 9.797 286 HD11 LEU 39 1HD1 LEU 39 -3.244 0.479 7.993 287 HD12 LEU 39 2HD1 LEU 39 -3.070 1.598 9.366 288 HD13 LEU 39 3HD1 LEU 39 -1.652 1.176 8.378 289 HD21 LEU 39 1HD2 LEU 39 -0.528 -1.594 9.953 290 HD22 LEU 39 2HD2 LEU 39 -1.675 -2.185 8.727 291 HD23 LEU 39 3HD2 LEU 39 -0.654 -0.769 8.380 292 H GLY 40 H GLY 40 -2.903 -1.436 13.435 293 HA2 GLY 40 1HA GLY 40 -4.387 -2.921 14.272 294 HA3 GLY 40 2HA GLY 40 -5.704 -1.879 13.770 295 H ALA 41 H ALA 41 -3.090 -3.257 11.691 296 HA ALA 41 HA ALA 41 -4.996 -5.129 10.545 297 HB1 ALA 41 1HB ALA 41 -3.501 -3.144 8.797 298 HB2 ALA 41 2HB ALA 41 -4.778 -4.288 8.316 299 HB3 ALA 41 3HB ALA 41 -5.177 -2.886 9.337 300 H THR 42 H THR 42 -3.963 -7.055 10.469 301 HA THR 42 HA THR 42 -1.065 -7.070 10.614 302 HB THR 42 HB THR 42 -2.854 -9.517 10.488 303 HG1 THR 42 1HG THR 42 -3.764 -8.850 12.412 304 HG21 THR 42 1HG2 THR 42 -0.282 -9.564 10.901 305 HG22 THR 42 2HG2 THR 42 -0.642 -8.781 12.459 306 HG23 THR 42 3HG2 THR 42 -1.297 -10.397 12.103 307 H VAL 43 H VAL 43 0.335 -8.098 9.138 308 HA VAL 43 HA VAL 43 -0.861 -8.846 6.587 309 HB VAL 43 HB VAL 43 0.366 -7.358 5.312 310 HG11 VAL 43 1HG1 VAL 43 -0.036 -5.512 7.647 311 HG12 VAL 43 2HG1 VAL 43 -0.429 -5.276 5.927 312 HG13 VAL 43 3HG1 VAL 43 -1.441 -6.341 6.933 313 HG21 VAL 43 1HG2 VAL 43 2.242 -5.996 6.119 314 HG22 VAL 43 2HG2 VAL 43 2.063 -6.700 7.744 315 HG23 VAL 43 3HG2 VAL 43 2.548 -7.730 6.376 316 H ARG 44 H ARG 44 0.494 -10.271 5.332 317 HA ARG 44 HA ARG 44 2.493 -11.515 7.029 318 HB2 ARG 44 1HB ARG 44 1.193 -12.673 4.516 319 HB3 ARG 44 2HB ARG 44 2.131 -13.550 5.709 320 HG2 ARG 44 1HG ARG 44 0.328 -12.748 7.431 321 HG3 ARG 44 2HG ARG 44 -0.642 -12.341 6.029 322 HD2 ARG 44 1HD ARG 44 -1.268 -14.587 6.676 323 HD3 ARG 44 2HD ARG 44 -0.331 -14.734 5.203 324 HE ARG 44 HE ARG 44 1.558 -14.925 7.258 325 HH11 ARG 44 2HH2 ARG 44 -1.356 -16.675 6.348 326 HH12 ARG 44 1HH2 ARG 44 -0.817 -18.178 7.018 327 HH21 ARG 44 2HH1 ARG 44 2.270 -16.908 8.143 328 HH22 ARG 44 1HH1 ARG 44 1.259 -18.312 8.047 329 H ASN 45 H ASN 45 4.553 -12.234 6.023 330 HA ASN 45 HA ASN 45 5.313 -10.386 3.941 331 HB2 ASN 45 1HB ASN 45 6.661 -10.757 6.123 332 HB3 ASN 45 2HB ASN 45 7.100 -12.329 5.486 333 HD21 ASN 45 1HD2 ASN 45 6.732 -9.085 4.057 334 HD22 ASN 45 2HD2 ASN 45 8.306 -8.980 3.342 335 H GLU 46 H GLU 46 5.061 -11.202 1.850 336 HA GLU 46 HA GLU 46 5.242 -14.060 1.499 337 HB2 GLU 46 1HB GLU 46 3.727 -11.950 0.293 338 HB3 GLU 46 2HB GLU 46 4.743 -12.623 -0.966 339 HG2 GLU 46 1HG GLU 46 2.796 -14.149 0.821 340 HG3 GLU 46 2HG GLU 46 2.642 -13.873 -0.903 341 H MET 47 H MET 47 6.438 -14.852 -0.558 342 HA MET 47 HA MET 47 8.953 -14.846 -0.477 343 HB2 MET 47 1HB MET 47 7.293 -14.250 -2.974 344 HB3 MET 47 2HB MET 47 9.006 -14.596 -3.099 345 HG2 MET 47 1HG MET 47 7.586 -16.551 -1.392 346 HG3 MET 47 2HG MET 47 6.945 -16.499 -3.023 347 HE1 MET 47 1HE MET 47 9.220 -17.468 -0.635 348 HE2 MET 47 2HE MET 47 9.776 -18.938 -1.472 349 HE3 MET 47 3HE MET 47 10.867 -17.541 -1.307 350 H ASP 48 H ASP 48 7.356 -12.042 -2.165 351 HA ASP 48 HA ASP 48 9.396 -10.340 -1.105 352 HB2 ASP 48 1HB ASP 48 8.978 -10.645 -4.117 353 HB3 ASP 48 2HB ASP 48 9.954 -9.395 -3.372 354 H SER 49 H SER 49 6.369 -10.871 -1.106 355 HA SER 49 HA SER 49 5.611 -8.177 -1.897 356 HB2 SER 49 1HB SER 49 4.082 -10.753 -2.449 357 HB3 SER 49 2HB SER 49 3.333 -9.171 -2.537 358 HG SER 49 HG SER 49 5.141 -8.624 -4.094 359 H VAL 50 H VAL 50 3.761 -7.305 -0.629 360 HA VAL 50 HA VAL 50 3.630 -8.608 1.993 361 HB VAL 50 HB VAL 50 3.503 -5.781 1.019 362 HG11 VAL 50 1HG1 VAL 50 1.449 -5.977 2.293 363 HG12 VAL 50 2HG1 VAL 50 2.312 -6.776 3.629 364 HG13 VAL 50 3HG1 VAL 50 2.649 -5.071 3.245 365 HG21 VAL 50 1HG2 VAL 50 5.177 -7.430 2.813 366 HG22 VAL 50 2HG2 VAL 50 5.600 -6.012 1.824 367 HG23 VAL 50 3HG2 VAL 50 4.821 -5.791 3.409 368 H ILE 51 H ILE 51 1.854 -9.845 2.294 369 HA ILE 51 HA ILE 51 -0.620 -8.917 1.008 370 HB ILE 51 HB ILE 51 0.446 -11.687 1.500 371 HG12 ILE 51 1HG1 ILE 51 -0.037 -11.933 -0.926 372 HG13 ILE 51 2HG1 ILE 51 -0.517 -10.249 -0.990 373 HG21 ILE 51 1HG2 ILE 51 -1.697 -12.600 0.837 374 HG22 ILE 51 2HG2 ILE 51 -1.892 -11.585 2.286 375 HG23 ILE 51 3HG2 ILE 51 -2.384 -10.964 0.692 376 HD11 ILE 51 1HD1 ILE 51 1.647 -9.481 -0.861 377 HD12 ILE 51 2HD1 ILE 51 2.141 -10.761 0.272 378 HD13 ILE 51 3HD1 ILE 51 2.030 -11.109 -1.470 379 H ILE 52 H ILE 52 -2.401 -8.576 2.290 380 HA ILE 52 HA ILE 52 -2.025 -8.195 5.009 381 HB ILE 52 HB ILE 52 -4.580 -8.587 3.446 382 HG12 ILE 52 1HG1 ILE 52 -3.052 -6.807 2.585 383 HG13 ILE 52 2HG1 ILE 52 -4.614 -6.225 3.126 384 HG21 ILE 52 1HG2 ILE 52 -4.629 -8.780 6.026 385 HG22 ILE 52 2HG2 ILE 52 -4.324 -7.026 6.005 386 HG23 ILE 52 3HG2 ILE 52 -5.779 -7.686 5.220 387 HD11 ILE 52 1HD1 ILE 52 -2.574 -6.274 5.277 388 HD12 ILE 52 2HD1 ILE 52 -2.176 -5.187 3.925 389 HD13 ILE 52 3HD1 ILE 52 -3.705 -4.981 4.811 390 H SER 53 H SER 53 -2.717 -9.363 6.874 391 HA SER 53 HA SER 53 -3.084 -12.199 6.294 392 HB2 SER 53 1HB SER 53 -1.601 -12.746 7.958 393 HB3 SER 53 2HB SER 53 -0.968 -11.150 7.609 394 HG SER 53 HG SER 53 -1.356 -10.732 9.669 395 H ARG 54 H ARG 54 -3.777 -9.561 8.699 396 HA ARG 54 HA ARG 54 -6.445 -10.599 8.905 397 HB2 ARG 54 1HB ARG 54 -5.273 -11.800 10.722 398 HB3 ARG 54 2HB ARG 54 -4.593 -10.300 11.322 399 HG2 ARG 54 1HG ARG 54 -6.765 -9.472 12.002 400 HG3 ARG 54 2HG ARG 54 -7.602 -10.731 11.117 401 HD2 ARG 54 1HD ARG 54 -5.807 -12.077 12.892 402 HD3 ARG 54 2HD ARG 54 -6.554 -10.803 13.834 403 HE ARG 54 HE ARG 54 -7.869 -13.179 12.791 404 HH11 ARG 54 2HH2 ARG 54 -8.406 -9.817 13.683 405 HH12 ARG 54 1HH2 ARG 54 -10.095 -10.038 13.999 406 HH21 ARG 54 2HH1 ARG 54 -10.097 -13.470 13.207 407 HH22 ARG 54 1HH1 ARG 54 -11.063 -12.129 13.726 408 H ILE 55 H ILE 55 -7.854 -9.014 10.263 409 HA ILE 55 HA ILE 55 -6.718 -6.311 10.076 410 HB ILE 55 HB ILE 55 -9.467 -7.280 9.298 411 HG12 ILE 55 1HG1 ILE 55 -7.878 -7.664 7.550 412 HG13 ILE 55 2HG1 ILE 55 -8.854 -6.279 7.103 413 HG21 ILE 55 1HG2 ILE 55 -10.329 -5.235 9.512 414 HG22 ILE 55 2HG2 ILE 55 -8.928 -4.877 10.551 415 HG23 ILE 55 3HG2 ILE 55 -8.884 -4.457 8.822 416 HD11 ILE 55 1HD1 ILE 55 -6.853 -4.974 8.402 417 HD12 ILE 55 2HD1 ILE 55 -5.956 -6.406 7.842 418 HD13 ILE 55 3HD1 ILE 55 -6.786 -5.359 6.665 419 H VAL 56 H VAL 56 -6.575 -5.342 12.021 420 HA VAL 56 HA VAL 56 -8.024 -6.517 14.232 421 HB VAL 56 HB VAL 56 -6.112 -4.182 14.243 422 HG11 VAL 56 1HG1 VAL 56 -6.677 -6.225 16.410 423 HG12 VAL 56 2HG1 VAL 56 -5.776 -4.697 16.549 424 HG13 VAL 56 3HG1 VAL 56 -7.535 -4.671 16.277 425 HG21 VAL 56 1HG2 VAL 56 -4.699 -6.444 15.072 426 HG22 VAL 56 2HG2 VAL 56 -5.584 -6.980 13.624 427 HG23 VAL 56 3HG2 VAL 56 -4.505 -5.567 13.535 428 H LYS 57 H LYS 57 -9.404 -5.265 15.665 429 HA LYS 57 HA LYS 57 -10.993 -3.388 14.157 430 HB2 LYS 57 1HB LYS 57 -12.307 -4.931 15.301 431 HB3 LYS 57 2HB LYS 57 -11.305 -4.894 16.738 432 HG2 LYS 57 1HG LYS 57 -13.297 -3.662 17.286 433 HG3 LYS 57 2HG LYS 57 -12.031 -2.467 17.083 434 HD2 LYS 57 1HD LYS 57 -13.496 -1.439 15.664 435 HD3 LYS 57 2HD LYS 57 -12.984 -2.644 14.499 436 HE2 LYS 57 1HE LYS 57 -14.909 -4.056 15.893 437 HE3 LYS 57 2HE LYS 57 -15.554 -2.430 15.996 438 HZ1 LYS 57 1HZ LYS 57 -15.648 -2.269 13.707 439 HZ2 LYS 57 2HZ LYS 57 -14.617 -3.508 13.445 440 HZ3 LYS 57 3HZ LYS 57 -16.131 -3.805 13.979 441 H GLY 58 H GLY 58 -11.554 -1.237 14.962 442 HA2 GLY 58 1HA GLY 58 -11.147 0.723 16.028 443 HA3 GLY 58 2HA GLY 58 -10.019 -0.086 17.097 444 H GLY 59 H GLY 59 -9.121 -1.042 14.012 445 HA2 GLY 59 1HA GLY 59 -6.914 0.861 13.986 446 HA3 GLY 59 2HA GLY 59 -7.071 -0.612 13.049 447 H ALA 60 H ALA 60 -6.392 2.197 12.189 448 HA ALA 60 HA ALA 60 -8.498 3.460 10.941 449 HB1 ALA 60 1HB ALA 60 -6.544 4.155 9.317 450 HB2 ALA 60 2HB ALA 60 -6.496 4.656 11.024 451 HB3 ALA 60 3HB ALA 60 -5.524 3.270 10.476 452 H ALA 61 H ALA 61 -6.795 0.467 10.133 453 HA ALA 61 HA ALA 61 -7.586 0.395 7.414 454 HB1 ALA 61 1HB ALA 61 -5.818 -0.971 9.016 455 HB2 ALA 61 2HB ALA 61 -7.122 -2.167 8.821 456 HB3 ALA 61 3HB ALA 61 -6.316 -1.487 7.387 457 H GLU 62 H GLU 62 -8.773 -1.348 10.380 458 HA GLU 62 HA GLU 62 -10.943 -2.468 9.058 459 HB2 GLU 62 1HB GLU 62 -10.241 -3.485 11.096 460 HB3 GLU 62 2HB GLU 62 -10.283 -1.970 11.976 461 HG2 GLU 62 1HG GLU 62 -12.582 -2.041 12.285 462 HG3 GLU 62 2HG GLU 62 -12.877 -2.834 10.750 463 H LYS 63 H LYS 63 -10.654 0.466 11.172 464 HA LYS 63 HA LYS 63 -13.202 1.257 11.375 465 HB2 LYS 63 1HB LYS 63 -10.741 2.929 10.814 466 HB3 LYS 63 2HB LYS 63 -12.289 3.618 11.258 467 HG2 LYS 63 1HG LYS 63 -11.657 1.441 13.081 468 HG3 LYS 63 2HG LYS 63 -10.291 2.536 12.998 469 HD2 LYS 63 1HD LYS 63 -11.704 4.453 13.576 470 HD3 LYS 63 2HD LYS 63 -13.158 3.484 13.447 471 HE2 LYS 63 1HE LYS 63 -12.575 2.171 15.399 472 HE3 LYS 63 2HE LYS 63 -10.938 2.796 15.420 473 HZ1 LYS 63 1HZ LYS 63 -12.654 4.958 15.511 474 HZ2 LYS 63 2HZ LYS 63 -13.201 3.881 16.608 475 HZ3 LYS 63 3HZ LYS 63 -11.662 4.419 16.690 476 H SER 64 H SER 64 -11.095 2.330 8.609 477 HA SER 64 HA SER 64 -13.321 3.225 7.167 478 HB2 SER 64 1HB SER 64 -11.672 3.440 5.280 479 HB3 SER 64 2HB SER 64 -11.139 4.203 6.765 480 HG SER 64 HG SER 64 -10.390 1.482 6.284 481 H GLY 65 H GLY 65 -11.479 0.166 7.332 482 HA2 GLY 65 1HA GLY 65 -12.007 -1.898 6.593 483 HA3 GLY 65 2HA GLY 65 -13.586 -1.305 6.117 484 H LEU 66 H LEU 66 -10.324 -0.157 5.043 485 HA LEU 66 HA LEU 66 -11.189 -0.699 2.302 486 HB2 LEU 66 1HB LEU 66 -8.866 1.002 3.188 487 HB3 LEU 66 2HB LEU 66 -9.634 0.953 1.614 488 HG LEU 66 HG LEU 66 -10.673 2.171 4.170 489 HD11 LEU 66 1HD1 LEU 66 -10.926 3.679 1.685 490 HD12 LEU 66 2HD1 LEU 66 -10.184 4.134 3.238 491 HD13 LEU 66 3HD1 LEU 66 -9.244 3.214 2.039 492 HD21 LEU 66 1HD2 LEU 66 -12.667 2.686 2.394 493 HD22 LEU 66 2HD2 LEU 66 -12.231 1.020 1.945 494 HD23 LEU 66 3HD2 LEU 66 -12.707 1.394 3.618 495 H LEU 67 H LEU 67 -9.310 -1.985 4.844 496 HA LEU 67 HA LEU 67 -7.500 -3.291 2.945 497 HB2 LEU 67 1HB LEU 67 -7.354 -2.708 5.887 498 HB3 LEU 67 2HB LEU 67 -6.380 -3.979 5.176 499 HG LEU 67 HG LEU 67 -5.038 -2.015 5.331 500 HD11 LEU 67 1HD1 LEU 67 -5.614 -1.785 2.439 501 HD12 LEU 67 2HD1 LEU 67 -4.095 -2.155 3.290 502 HD13 LEU 67 3HD1 LEU 67 -5.310 -3.432 3.042 503 HD21 LEU 67 1HD2 LEU 67 -7.436 -0.622 4.916 504 HD22 LEU 67 2HD2 LEU 67 -5.815 0.060 5.190 505 HD23 LEU 67 3HD2 LEU 67 -6.398 -0.209 3.530 506 H HIS 68 H HIS 68 -7.664 -5.455 2.526 507 HA HIS 68 HA HIS 68 -9.426 -6.985 4.280 508 HB2 HIS 68 1HB HIS 68 -9.661 -6.609 1.307 509 HB3 HIS 68 2HB HIS 68 -10.168 -8.120 2.035 510 HD1 HIS 68 1HD HIS 68 -12.647 -8.092 2.273 511 HD2 HIS 68 2HD HIS 68 -10.943 -4.367 3.177 512 HE1 HIS 68 1HE HIS 68 -14.573 -6.580 2.991 513 H GLU 69 H GLU 69 -8.697 -9.052 4.736 514 HA GLU 69 HA GLU 69 -6.058 -9.602 4.420 515 HB2 GLU 69 1HB GLU 69 -8.368 -11.563 4.777 516 HB3 GLU 69 2HB GLU 69 -6.682 -11.959 5.046 517 HG2 GLU 69 1HG GLU 69 -6.505 -10.339 6.860 518 HG3 GLU 69 2HG GLU 69 -8.078 -9.661 6.487 519 H GLY 70 H GLY 70 -4.765 -10.454 2.817 520 HA2 GLY 70 1HA GLY 70 -4.431 -11.989 1.038 521 HA3 GLY 70 2HA GLY 70 -6.100 -11.781 0.548 522 H ASP 71 H ASP 71 -5.368 -8.703 1.367 523 HA ASP 71 HA ASP 71 -5.074 -7.932 -1.316 524 HB2 ASP 71 1HB ASP 71 -5.377 -6.635 1.341 525 HB3 ASP 71 2HB ASP 71 -4.447 -5.682 0.201 526 H GLU 72 H GLU 72 -3.159 -7.379 -2.431 527 HA GLU 72 HA GLU 72 -0.720 -7.604 -0.860 528 HB2 GLU 72 1HB GLU 72 -0.876 -9.247 -2.658 529 HB3 GLU 72 2HB GLU 72 -1.250 -8.003 -3.834 530 HG2 GLU 72 1HG GLU 72 0.978 -7.002 -3.576 531 HG3 GLU 72 2HG GLU 72 1.356 -8.078 -2.246 532 H VAL 73 H VAL 73 -0.209 -5.549 -0.143 533 HA VAL 73 HA VAL 73 -0.711 -3.272 -1.806 534 HB VAL 73 HB VAL 73 -1.017 -2.942 0.483 535 HG11 VAL 73 1HG1 VAL 73 1.003 -3.360 2.090 536 HG12 VAL 73 2HG1 VAL 73 -0.023 -4.725 1.588 537 HG13 VAL 73 3HG1 VAL 73 1.557 -4.466 0.809 538 HG21 VAL 73 1HG2 VAL 73 1.751 -1.829 -0.085 539 HG22 VAL 73 2HG2 VAL 73 0.222 -1.112 -0.650 540 HG23 VAL 73 3HG2 VAL 73 0.570 -1.207 1.093 541 H LEU 74 H LEU 74 0.650 -2.326 -3.252 542 HA LEU 74 HA LEU 74 3.413 -3.329 -3.256 543 HB2 LEU 74 1HB LEU 74 1.978 -2.266 -5.671 544 HB3 LEU 74 2HB LEU 74 3.438 -3.231 -5.594 545 HG LEU 74 HG LEU 74 0.730 -4.287 -4.754 546 HD11 LEU 74 1HD1 LEU 74 0.354 -3.790 -7.001 547 HD12 LEU 74 2HD1 LEU 74 2.017 -4.210 -7.476 548 HD13 LEU 74 3HD1 LEU 74 0.870 -5.493 -7.024 549 HD21 LEU 74 1HD2 LEU 74 3.421 -5.551 -5.264 550 HD22 LEU 74 2HD2 LEU 74 2.403 -5.632 -3.807 551 HD23 LEU 74 3HD2 LEU 74 1.910 -6.490 -5.286 552 H GLU 75 H GLU 75 1.206 -0.559 -3.275 553 HA GLU 75 HA GLU 75 3.531 1.110 -2.838 554 HB2 GLU 75 1HB GLU 75 2.082 1.137 -5.269 555 HB3 GLU 75 2HB GLU 75 1.514 2.547 -4.396 556 HG2 GLU 75 1HG GLU 75 3.863 3.301 -4.048 557 HG3 GLU 75 2HG GLU 75 4.457 1.871 -4.870 558 H ILE 76 H ILE 76 3.158 2.847 -1.380 559 HA ILE 76 HA ILE 76 0.413 3.103 -0.401 560 HB ILE 76 HB ILE 76 2.845 2.309 1.146 561 HG12 ILE 76 1HG1 ILE 76 -0.065 1.466 1.130 562 HG13 ILE 76 2HG1 ILE 76 1.309 0.555 0.535 563 HG21 ILE 76 1HG2 ILE 76 2.500 3.934 2.640 564 HG22 ILE 76 2HG2 ILE 76 0.914 4.360 1.955 565 HG23 ILE 76 3HG2 ILE 76 1.052 3.011 3.107 566 HD11 ILE 76 1HD1 ILE 76 1.528 -0.362 2.592 567 HD12 ILE 76 2HD1 ILE 76 1.963 1.247 3.218 568 HD13 ILE 76 3HD1 ILE 76 0.265 0.712 3.240 569 H ASN 77 H ASN 77 -0.037 5.144 -1.098 570 HA ASN 77 HA ASN 77 0.001 7.320 -1.095 571 HB2 ASN 77 1HB ASN 77 1.649 6.719 1.201 572 HB3 ASN 77 2HB ASN 77 2.423 8.036 0.340 573 HD21 ASN 77 1HD2 ASN 77 1.277 8.235 2.886 574 HD22 ASN 77 2HD2 ASN 77 -0.065 9.329 2.837 575 H GLY 78 H GLY 78 2.044 5.315 -2.565 576 HA2 GLY 78 1HA GLY 78 2.957 6.118 -4.676 577 HA3 GLY 78 2HA GLY 78 3.669 7.458 -3.800 578 H ILE 79 H ILE 79 4.270 5.608 -1.416 579 HA ILE 79 HA ILE 79 6.851 4.811 -2.367 580 HB ILE 79 HB ILE 79 5.502 4.595 0.325 581 HG12 ILE 79 1HG1 ILE 79 7.620 6.386 0.476 582 HG13 ILE 79 2HG1 ILE 79 6.906 6.743 -1.084 583 HG21 ILE 79 1HG2 ILE 79 7.572 3.946 1.270 584 HG22 ILE 79 2HG2 ILE 79 7.300 2.871 -0.122 585 HG23 ILE 79 3HG2 ILE 79 8.445 4.226 -0.256 586 HD11 ILE 79 1HD1 ILE 79 4.624 6.510 0.386 587 HD12 ILE 79 2HD1 ILE 79 5.747 7.057 1.654 588 HD13 ILE 79 3HD1 ILE 79 5.503 8.046 0.195 589 H GLU 80 H GLU 80 7.491 2.827 -3.053 590 HA GLU 80 HA GLU 80 5.550 0.895 -3.538 591 HB2 GLU 80 1HB GLU 80 8.219 1.398 -4.305 592 HB3 GLU 80 2HB GLU 80 8.283 -0.164 -3.513 593 HG2 GLU 80 1HG GLU 80 6.356 -0.933 -4.962 594 HG3 GLU 80 2HG GLU 80 6.405 0.607 -5.797 595 H ILE 81 H ILE 81 5.931 -1.529 -2.817 596 HA ILE 81 HA ILE 81 6.749 -1.608 -0.012 597 HB ILE 81 HB ILE 81 4.097 -2.542 -1.109 598 HG12 ILE 81 1HG1 ILE 81 4.954 -0.108 0.157 599 HG13 ILE 81 2HG1 ILE 81 3.377 -0.537 -0.474 600 HG21 ILE 81 1HG2 ILE 81 4.930 -4.247 0.376 601 HG22 ILE 81 2HG2 ILE 81 5.354 -3.030 1.604 602 HG23 ILE 81 3HG2 ILE 81 3.647 -3.330 1.200 603 HD11 ILE 81 1HD1 ILE 81 4.390 -1.425 2.264 604 HD12 ILE 81 2HD1 ILE 81 3.381 0.016 1.994 605 HD13 ILE 81 3HD1 ILE 81 2.738 -1.602 1.625 606 H ARG 82 H ARG 82 5.741 -3.404 -2.983 607 HA ARG 82 HA ARG 82 6.355 -5.878 -2.432 608 HB2 ARG 82 1HB ARG 82 6.077 -4.429 -4.766 609 HB3 ARG 82 2HB ARG 82 7.747 -4.940 -4.909 610 HG2 ARG 82 1HG ARG 82 6.829 -7.326 -4.261 611 HG3 ARG 82 2HG ARG 82 5.261 -6.670 -4.689 612 HD2 ARG 82 1HD ARG 82 6.790 -5.858 -6.854 613 HD3 ARG 82 2HD ARG 82 7.558 -7.380 -6.449 614 HE ARG 82 HE ARG 82 4.833 -7.962 -6.381 615 HH11 ARG 82 2HH2 ARG 82 7.033 -6.625 -8.780 616 HH12 ARG 82 1HH2 ARG 82 6.136 -7.237 -10.130 617 HH21 ARG 82 2HH1 ARG 82 3.650 -8.770 -8.162 618 HH22 ARG 82 1HH1 ARG 82 4.199 -8.465 -9.776 619 H GLY 83 H GLY 83 8.071 -6.998 -1.551 620 HA2 GLY 83 1HA GLY 83 10.325 -7.629 -1.517 621 HA3 GLY 83 2HA GLY 83 10.794 -6.038 -2.082 622 H LYS 84 H LYS 84 8.742 -4.815 -0.084 623 HA LYS 84 HA LYS 84 10.613 -4.383 1.981 624 HB2 LYS 84 1HB LYS 84 7.691 -3.651 1.660 625 HB3 LYS 84 2HB LYS 84 8.663 -3.152 3.029 626 HG2 LYS 84 1HG LYS 84 10.257 -2.535 0.772 627 HG3 LYS 84 2HG LYS 84 8.631 -2.090 0.293 628 HD2 LYS 84 1HD LYS 84 8.915 -1.172 2.978 629 HD3 LYS 84 2HD LYS 84 10.418 -0.756 2.177 630 HE2 LYS 84 1HE LYS 84 9.186 1.105 1.560 631 HE3 LYS 84 2HE LYS 84 8.742 0.057 0.228 632 HZ1 LYS 84 1HZ LYS 84 7.121 1.058 2.298 633 HZ2 LYS 84 2HZ LYS 84 6.678 0.326 0.907 634 HZ3 LYS 84 3HZ LYS 84 7.012 -0.570 2.232 635 H ASP 85 H ASP 85 10.297 -4.857 4.303 636 HA ASP 85 HA ASP 85 9.367 -7.567 4.551 637 HB2 ASP 85 1HB ASP 85 11.572 -6.940 5.487 638 HB3 ASP 85 2HB ASP 85 10.828 -5.699 6.475 639 H VAL 86 H VAL 86 7.813 -8.186 6.269 640 HA VAL 86 HA VAL 86 5.602 -6.582 6.478 641 HB VAL 86 HB VAL 86 5.957 -9.076 6.941 642 HG11 VAL 86 1HG1 VAL 86 7.668 -8.506 8.803 643 HG12 VAL 86 2HG1 VAL 86 6.235 -8.221 9.820 644 HG13 VAL 86 3HG1 VAL 86 6.503 -9.821 9.088 645 HG21 VAL 86 1HG2 VAL 86 4.157 -8.483 9.062 646 HG22 VAL 86 2HG2 VAL 86 3.985 -7.198 7.842 647 HG23 VAL 86 3HG2 VAL 86 3.778 -8.903 7.375 648 H ASN 87 H ASN 87 8.511 -6.771 8.573 649 HA ASN 87 HA ASN 87 7.449 -5.191 10.607 650 HB2 ASN 87 1HB ASN 87 9.893 -6.550 10.049 651 HB3 ASN 87 2HB ASN 87 10.351 -4.873 10.271 652 HD21 ASN 87 1HD2 ASN 87 8.107 -7.256 11.682 653 HD22 ASN 87 2HD2 ASN 87 8.433 -6.906 13.347 654 H GLU 88 H GLU 88 9.496 -4.540 7.683 655 HA GLU 88 HA GLU 88 10.022 -1.900 8.155 656 HB2 GLU 88 1HB GLU 88 9.884 -3.659 5.735 657 HB3 GLU 88 2HB GLU 88 9.894 -1.932 5.439 658 HG2 GLU 88 1HG GLU 88 12.201 -2.944 5.492 659 HG3 GLU 88 2HG GLU 88 11.987 -1.650 6.654 660 H VAL 89 H VAL 89 7.320 -3.326 6.177 661 HA VAL 89 HA VAL 89 6.069 -0.997 5.488 662 HB VAL 89 HB VAL 89 5.130 -3.793 6.039 663 HG11 VAL 89 1HG1 VAL 89 3.007 -2.734 4.705 664 HG12 VAL 89 2HG1 VAL 89 3.071 -2.963 6.469 665 HG13 VAL 89 3HG1 VAL 89 3.447 -1.373 5.764 666 HG21 VAL 89 1HG2 VAL 89 6.047 -2.227 3.739 667 HG22 VAL 89 2HG2 VAL 89 5.957 -3.991 3.964 668 HG23 VAL 89 3HG2 VAL 89 4.519 -3.087 3.431 669 H PHE 90 H PHE 90 5.492 -3.020 8.451 670 HA PHE 90 HA PHE 90 3.559 -1.455 9.588 671 HB2 PHE 90 1HB PHE 90 5.926 -3.053 10.723 672 HB3 PHE 90 2HB PHE 90 4.659 -2.425 11.759 673 HD1 PHE 90 1HD PHE 90 2.362 -2.941 9.770 674 HD2 PHE 90 2HD PHE 90 5.557 -5.360 11.166 675 HE1 PHE 90 1HE PHE 90 0.991 -5.000 9.342 676 HE2 PHE 90 2HE PHE 90 4.186 -7.419 10.738 677 HZ PHE 90 HZ PHE 90 1.919 -7.214 9.831 678 H ASP 91 H ASP 91 7.160 -1.174 9.910 679 HA ASP 91 HA ASP 91 7.063 0.924 11.716 680 HB2 ASP 91 1HB ASP 91 9.031 -0.610 10.392 681 HB3 ASP 91 2HB ASP 91 9.351 1.030 9.865 682 H LEU 92 H LEU 92 7.242 0.728 8.107 683 HA LEU 92 HA LEU 92 7.719 3.358 7.508 684 HB2 LEU 92 1HB LEU 92 6.419 1.057 6.166 685 HB3 LEU 92 2HB LEU 92 6.083 2.641 5.495 686 HG LEU 92 HG LEU 92 8.924 2.339 5.988 687 HD11 LEU 92 1HD1 LEU 92 7.865 -0.106 5.451 688 HD12 LEU 92 2HD1 LEU 92 8.197 0.490 3.807 689 HD13 LEU 92 3HD1 LEU 92 9.510 0.406 5.006 690 HD21 LEU 92 1HD2 LEU 92 7.084 3.192 3.831 691 HD22 LEU 92 2HD2 LEU 92 8.568 3.952 4.453 692 HD23 LEU 92 3HD2 LEU 92 8.676 2.592 3.310 693 H LEU 93 H LEU 93 4.405 1.871 7.391 694 HA LEU 93 HA LEU 93 2.976 4.153 7.262 695 HB2 LEU 93 1HB LEU 93 2.298 1.651 8.814 696 HB3 LEU 93 2HB LEU 93 1.151 2.892 8.350 697 HG LEU 93 HG LEU 93 2.772 1.233 6.398 698 HD11 LEU 93 1HD1 LEU 93 -0.168 0.939 7.046 699 HD12 LEU 93 2HD1 LEU 93 0.842 -0.101 6.013 700 HD13 LEU 93 3HD1 LEU 93 1.110 -0.064 7.773 701 HD21 LEU 93 1HD2 LEU 93 2.053 2.569 4.778 702 HD22 LEU 93 2HD2 LEU 93 0.368 2.430 5.335 703 HD23 LEU 93 3HD2 LEU 93 1.435 3.675 6.028 704 H SER 94 H SER 94 4.057 2.516 10.317 705 HA SER 94 HA SER 94 2.994 4.071 12.155 706 HB2 SER 94 1HB SER 94 5.137 2.289 12.053 707 HB3 SER 94 2HB SER 94 5.894 3.756 12.642 708 HG SER 94 HG SER 94 4.979 3.437 14.544 709 H ASP 95 H ASP 95 6.177 4.843 10.553 710 HA ASP 95 HA ASP 95 6.487 7.297 11.721 711 HB2 ASP 95 1HB ASP 95 8.055 5.845 10.168 712 HB3 ASP 95 2HB ASP 95 7.323 6.745 8.854 713 H MET 96 H MET 96 4.749 6.239 8.744 714 HA MET 96 HA MET 96 4.187 8.892 7.919 715 HB2 MET 96 1HB MET 96 2.875 6.236 7.113 716 HB3 MET 96 2HB MET 96 2.787 7.731 6.202 717 HG2 MET 96 1HG MET 96 5.517 7.469 6.444 718 HG3 MET 96 2HG MET 96 5.043 5.782 6.434 719 HE1 MET 96 1HE MET 96 2.634 5.820 3.300 720 HE2 MET 96 2HE MET 96 3.722 4.628 4.051 721 HE3 MET 96 3HE MET 96 2.602 5.573 5.062 722 H HIS 97 H HIS 97 1.814 9.596 7.517 723 HA HIS 97 HA HIS 97 -0.174 8.479 9.183 724 HB2 HIS 97 1HB HIS 97 -0.352 10.783 10.478 725 HB3 HIS 97 2HB HIS 97 0.591 9.439 11.089 726 HD1 HIS 97 1HD HIS 97 1.422 12.230 8.573 727 HD2 HIS 97 2HD HIS 97 2.918 10.452 12.066 728 HE1 HIS 97 1HE HIS 97 3.622 13.414 9.092 729 H GLY 98 H GLY 98 -2.144 10.169 9.240 730 HA2 GLY 98 1HA GLY 98 -3.488 11.626 8.124 731 HA3 GLY 98 2HA GLY 98 -2.172 12.030 7.040 732 H THR 99 H THR 99 -4.036 11.917 5.418 733 HA THR 99 HA THR 99 -5.197 9.412 4.813 734 HB THR 99 HB THR 99 -4.810 11.822 2.972 735 HG1 THR 99 1HG THR 99 -6.515 12.724 4.220 736 HG21 THR 99 1HG2 THR 99 -6.092 9.500 2.394 737 HG22 THR 99 2HG2 THR 99 -7.381 10.292 3.331 738 HG23 THR 99 3HG2 THR 99 -6.731 11.077 1.872 739 H LEU 100 H LEU 100 -3.891 7.688 4.460 740 HA LEU 100 HA LEU 100 -1.685 8.085 2.582 741 HB2 LEU 100 1HB LEU 100 -2.166 5.615 4.216 742 HB3 LEU 100 2HB LEU 100 -0.674 6.195 3.503 743 HG LEU 100 HG LEU 100 -1.475 8.209 5.308 744 HD11 LEU 100 1HD1 LEU 100 -3.022 6.799 6.431 745 HD12 LEU 100 2HD1 LEU 100 -1.876 5.437 6.450 746 HD13 LEU 100 3HD1 LEU 100 -1.563 6.878 7.447 747 HD21 LEU 100 1HD2 LEU 100 0.771 8.019 5.208 748 HD22 LEU 100 2HD2 LEU 100 0.524 6.968 6.623 749 HD23 LEU 100 3HD2 LEU 100 0.728 6.251 5.007 750 H THR 101 H THR 101 -1.659 7.136 0.575 751 HA THR 101 HA THR 101 -4.146 5.817 -0.207 752 HB THR 101 HB THR 101 -1.799 6.860 -1.877 753 HG1 THR 101 1HG THR 101 -3.326 8.710 -2.033 754 HG21 THR 101 1HG2 THR 101 -3.484 6.978 -3.675 755 HG22 THR 101 2HG2 THR 101 -3.420 5.308 -3.061 756 HG23 THR 101 3HG2 THR 101 -4.746 6.388 -2.567 757 H PHE 102 H PHE 102 -4.142 3.701 0.363 758 HA PHE 102 HA PHE 102 -1.712 2.183 0.070 759 HB2 PHE 102 1HB PHE 102 -4.612 1.685 0.935 760 HB3 PHE 102 2HB PHE 102 -3.478 0.355 0.809 761 HD1 PHE 102 2HD PHE 102 -4.202 3.497 2.602 762 HD2 PHE 102 1HD PHE 102 -1.838 -0.026 2.491 763 HE1 PHE 102 2HE PHE 102 -3.394 3.965 4.932 764 HE2 PHE 102 1HE PHE 102 -1.030 0.442 4.821 765 HZ PHE 102 HZ PHE 102 -1.818 2.432 6.013 766 H VAL 103 H VAL 103 -1.126 1.057 -1.725 767 HA VAL 103 HA VAL 103 -3.220 0.622 -3.735 768 HB VAL 103 HB VAL 103 -0.215 0.814 -4.031 769 HG11 VAL 103 1HG1 VAL 103 -2.437 0.171 -5.939 770 HG12 VAL 103 2HG1 VAL 103 -1.044 1.113 -6.525 771 HG13 VAL 103 3HG1 VAL 103 -0.794 -0.505 -5.827 772 HG21 VAL 103 1HG2 VAL 103 -2.394 2.823 -4.127 773 HG22 VAL 103 2HG2 VAL 103 -0.660 3.020 -3.773 774 HG23 VAL 103 3HG2 VAL 103 -1.216 2.895 -5.460 775 H LEU 104 H LEU 104 -4.076 -1.354 -3.061 776 HA LEU 104 HA LEU 104 -2.180 -3.576 -3.244 777 HB2 LEU 104 1HB LEU 104 -3.832 -4.573 -1.413 778 HB3 LEU 104 2HB LEU 104 -2.343 -3.737 -1.021 779 HG LEU 104 HG LEU 104 -4.344 -1.739 -1.199 780 HD11 LEU 104 1HD1 LEU 104 -5.922 -3.720 -0.989 781 HD12 LEU 104 2HD1 LEU 104 -5.275 -3.933 0.656 782 HD13 LEU 104 3HD1 LEU 104 -6.103 -2.421 0.214 783 HD21 LEU 104 1HD2 LEU 104 -3.889 -1.526 1.251 784 HD22 LEU 104 2HD2 LEU 104 -2.902 -3.003 1.144 785 HD23 LEU 104 3HD2 LEU 104 -2.432 -1.551 0.228 786 H ILE 105 H ILE 105 -3.219 -5.633 -3.875 787 HA ILE 105 HA ILE 105 -5.579 -5.064 -5.515 788 HB ILE 105 HB ILE 105 -3.555 -7.291 -5.761 789 HG12 ILE 105 1HG1 ILE 105 -3.691 -5.111 -7.776 790 HG13 ILE 105 2HG1 ILE 105 -2.995 -4.685 -6.225 791 HG21 ILE 105 1HG2 ILE 105 -5.333 -6.470 -8.002 792 HG22 ILE 105 2HG2 ILE 105 -4.686 -8.071 -7.569 793 HG23 ILE 105 3HG2 ILE 105 -6.064 -7.395 -6.668 794 HD11 ILE 105 1HD1 ILE 105 -1.709 -6.047 -8.340 795 HD12 ILE 105 2HD1 ILE 105 -1.087 -5.817 -6.688 796 HD13 ILE 105 3HD1 ILE 105 -1.997 -7.290 -7.099 797 HA PRO 106 HA PRO 106 -7.759 -7.562 -2.704 798 HB2 PRO 106 1HB PRO 106 -10.205 -7.442 -3.916 799 HB3 PRO 106 2HB PRO 106 -9.616 -6.206 -2.823 800 HG2 PRO 106 1HG PRO 106 -9.833 -6.124 -5.770 801 HG3 PRO 106 2HG PRO 106 -9.659 -4.792 -4.645 802 HD2 PRO 106 1HD PRO 106 -7.611 -5.905 -6.315 803 HD3 PRO 106 2HD PRO 106 -7.411 -4.652 -5.107 804 H SER 107 H SER 107 -7.207 -9.643 -2.548 805 HA SER 107 HA SER 107 -7.211 -11.183 -4.911 806 HB2 SER 107 1HB SER 107 -5.574 -11.706 -3.230 807 HB3 SER 107 2HB SER 107 -6.786 -11.823 -1.970 808 HG SER 107 HG SER 107 -6.662 -13.601 -4.254 809 H SER 108 H SER 108 -9.467 -10.969 -5.625 810 HA SER 108 HA SER 108 -11.530 -11.861 -3.915 811 HB2 SER 108 1HB SER 108 -11.284 -10.912 -6.745 812 HB3 SER 108 2HB SER 108 -12.677 -11.913 -6.386 813 HG SER 108 HG SER 108 -13.500 -10.010 -5.771 814 H GLY 109 H GLY 109 -9.862 -13.919 -3.660 815 HA2 GLY 109 1HA GLY 109 -10.674 -15.967 -5.626 816 HA3 GLY 109 2HA GLY 109 -9.232 -16.009 -4.632 817 HA PRO 110 HA PRO 110 -13.087 -17.253 -2.114 818 HB2 PRO 110 1HB PRO 110 -14.997 -18.601 -3.529 819 HB3 PRO 110 2HB PRO 110 -15.122 -16.899 -3.130 820 HG2 PRO 110 1HG PRO 110 -14.470 -18.150 -5.728 821 HG3 PRO 110 2HG PRO 110 -15.011 -16.516 -5.402 822 HD2 PRO 110 1HD PRO 110 -12.336 -17.346 -6.018 823 HD3 PRO 110 2HD PRO 110 -12.857 -15.732 -5.579 824 H SER 111 H SER 111 -11.310 -18.904 -4.428 825 HA SER 111 HA SER 111 -11.874 -21.497 -3.882 826 HB2 SER 111 1HB SER 111 -9.674 -22.014 -4.740 827 HB3 SER 111 2HB SER 111 -10.264 -20.613 -5.612 828 HG SER 111 HG SER 111 -8.170 -20.807 -3.692 829 H SER 112 H SER 112 -11.882 -22.649 -1.989 830 HA SER 112 HA SER 112 -11.062 -21.626 0.392 831 HB2 SER 112 1HB SER 112 -12.455 -23.810 -0.336 832 HB3 SER 112 2HB SER 112 -10.928 -24.607 -0.014 833 HG SER 112 HG SER 112 -11.418 -22.874 2.030 834 H GLY 113 H GLY 113 -8.978 -20.858 0.712 835 HA2 GLY 113 1HA GLY 113 -6.837 -21.554 1.531 836 HA3 GLY 113 2HA GLY 113 -6.793 -22.804 0.304 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -1.299 41.832 -4.101 2 HA2 GLY 1 1HA GLY 1 0.970 42.695 -4.964 3 HA3 GLY 1 2HA GLY 1 0.862 42.133 -3.308 4 H SER 2 H SER 2 2.083 41.461 -6.552 5 HA SER 2 HA SER 2 3.642 40.135 -7.276 6 HB2 SER 2 1HB SER 2 4.550 40.720 -4.784 7 HB3 SER 2 2HB SER 2 4.378 38.986 -4.605 8 HG SER 2 HG SER 2 5.751 38.689 -6.465 9 H SER 3 H SER 3 3.198 38.250 -8.362 10 HA SER 3 HA SER 3 2.733 35.851 -7.106 11 HB2 SER 3 1HB SER 3 0.294 35.513 -7.747 12 HB3 SER 3 2HB SER 3 0.565 36.595 -6.395 13 HG SER 3 HG SER 3 0.608 38.275 -8.356 14 H GLY 4 H GLY 4 2.390 34.096 -8.712 15 HA2 GLY 4 1HA GLY 4 1.830 33.680 -11.089 16 HA3 GLY 4 2HA GLY 4 2.868 35.037 -11.477 17 H SER 5 H SER 5 2.962 31.978 -12.031 18 HA SER 5 HA SER 5 5.756 31.744 -11.278 19 HB2 SER 5 1HB SER 5 4.433 30.360 -9.692 20 HB3 SER 5 2HB SER 5 3.681 29.520 -11.034 21 HG SER 5 HG SER 5 5.817 28.751 -11.668 22 H SER 6 H SER 6 3.142 29.929 -13.062 23 HA SER 6 HA SER 6 4.336 30.479 -15.544 24 HB2 SER 6 1HB SER 6 5.921 28.726 -14.662 25 HB3 SER 6 2HB SER 6 4.579 27.604 -14.551 26 HG SER 6 HG SER 6 6.037 27.676 -16.592 27 H GLY 7 H GLY 7 2.638 27.591 -14.107 28 HA2 GLY 7 1HA GLY 7 0.151 27.723 -14.206 29 HA3 GLY 7 2HA GLY 7 0.348 28.202 -15.880 30 HA PRO 8 HA PRO 8 0.620 24.028 -17.022 31 HB2 PRO 8 1HB PRO 8 2.250 24.058 -19.215 32 HB3 PRO 8 2HB PRO 8 0.561 24.524 -19.269 33 HG2 PRO 8 1HG PRO 8 2.962 26.248 -19.338 34 HG3 PRO 8 2HG PRO 8 1.319 26.634 -19.810 35 HD2 PRO 8 1HD PRO 8 2.643 27.431 -17.393 36 HD3 PRO 8 2HD PRO 8 0.966 27.718 -17.813 37 H ILE 9 H ILE 9 1.423 22.829 -15.362 38 HA ILE 9 HA ILE 9 4.263 22.897 -14.953 39 HB ILE 9 HB ILE 9 1.987 21.385 -13.684 40 HG12 ILE 9 1HG1 ILE 9 3.743 23.250 -12.176 41 HG13 ILE 9 2HG1 ILE 9 2.681 23.978 -13.365 42 HG21 ILE 9 1HG2 ILE 9 3.528 20.467 -12.079 43 HG22 ILE 9 2HG2 ILE 9 4.045 19.992 -13.715 44 HG23 ILE 9 3HG2 ILE 9 4.899 21.296 -12.855 45 HD11 ILE 9 1HD1 ILE 9 1.996 22.531 -10.835 46 HD12 ILE 9 2HD1 ILE 9 1.196 23.924 -11.601 47 HD13 ILE 9 3HD1 ILE 9 0.901 22.280 -12.216 48 H THR 10 H THR 10 5.770 21.279 -15.435 49 HA THR 10 HA THR 10 5.141 19.704 -17.721 50 HB THR 10 HB THR 10 7.576 18.874 -17.124 51 HG1 THR 10 1HG THR 10 7.559 19.541 -14.912 52 HG21 THR 10 1HG2 THR 10 7.983 21.741 -17.245 53 HG22 THR 10 2HG2 THR 10 8.200 20.547 -18.547 54 HG23 THR 10 3HG2 THR 10 6.616 21.321 -18.303 55 H ASP 11 H ASP 11 6.293 17.276 -17.475 56 HA ASP 11 HA ASP 11 5.857 15.831 -15.243 57 HB2 ASP 11 1HB ASP 11 3.620 14.663 -16.079 58 HB3 ASP 11 2HB ASP 11 3.550 16.092 -15.067 59 H GLU 12 H GLU 12 6.941 13.913 -15.757 60 HA GLU 12 HA GLU 12 6.415 12.637 -18.249 61 HB2 GLU 12 1HB GLU 12 8.061 13.968 -19.237 62 HB3 GLU 12 2HB GLU 12 8.984 14.127 -17.756 63 HG2 GLU 12 1HG GLU 12 9.962 11.973 -17.974 64 HG3 GLU 12 2HG GLU 12 8.707 11.402 -19.056 65 H ARG 13 H ARG 13 5.871 10.715 -17.240 66 HA ARG 13 HA ARG 13 6.033 8.925 -16.034 67 HB2 ARG 13 1HB ARG 13 8.926 8.588 -15.847 68 HB3 ARG 13 2HB ARG 13 7.775 7.660 -16.788 69 HG2 ARG 13 1HG ARG 13 7.795 9.704 -18.438 70 HG3 ARG 13 2HG ARG 13 9.256 10.187 -17.600 71 HD2 ARG 13 1HD ARG 13 10.010 7.673 -18.034 72 HD3 ARG 13 2HD ARG 13 8.770 7.706 -19.272 73 HE ARG 13 HE ARG 13 10.519 10.035 -19.416 74 HH11 ARG 13 2HH2 ARG 13 10.215 6.649 -20.325 75 HH12 ARG 13 1HH2 ARG 13 11.302 6.781 -21.668 76 HH21 ARG 13 2HH1 ARG 13 11.952 10.209 -21.187 77 HH22 ARG 13 1HH1 ARG 13 12.296 8.819 -22.161 78 H VAL 14 H VAL 14 6.397 11.663 -14.686 79 HA VAL 14 HA VAL 14 7.854 10.782 -12.297 80 HB VAL 14 HB VAL 14 7.000 13.574 -13.073 81 HG11 VAL 14 1HG1 VAL 14 9.268 13.676 -11.454 82 HG12 VAL 14 2HG1 VAL 14 7.592 14.016 -10.960 83 HG13 VAL 14 3HG1 VAL 14 8.275 12.388 -10.732 84 HG21 VAL 14 1HG2 VAL 14 9.273 11.930 -14.000 85 HG22 VAL 14 2HG2 VAL 14 8.532 13.380 -14.719 86 HG23 VAL 14 3HG2 VAL 14 9.714 13.546 -13.398 87 H TYR 15 H TYR 15 4.996 10.129 -13.321 88 HA TYR 15 HA TYR 15 3.247 11.496 -11.547 89 HB2 TYR 15 1HB TYR 15 3.112 8.799 -13.036 90 HB3 TYR 15 2HB TYR 15 1.717 9.630 -12.378 91 HD1 TYR 15 1HD TYR 15 4.261 9.662 -15.047 92 HD2 TYR 15 2HD TYR 15 0.747 11.552 -13.505 93 HE1 TYR 15 1HE TYR 15 3.963 10.913 -17.240 94 HE2 TYR 15 2HE TYR 15 0.460 12.797 -15.703 95 HH TYR 15 HH TYR 15 1.562 13.429 -17.568 96 H GLU 16 H GLU 16 1.667 9.598 -10.350 97 HA GLU 16 HA GLU 16 3.558 8.356 -8.508 98 HB2 GLU 16 1HB GLU 16 1.953 8.718 -6.720 99 HB3 GLU 16 2HB GLU 16 2.209 10.242 -7.547 100 HG2 GLU 16 1HG GLU 16 0.078 10.265 -8.482 101 HG3 GLU 16 2HG GLU 16 -0.014 8.519 -8.596 102 H SER 17 H SER 17 1.129 7.050 -7.160 103 HA SER 17 HA SER 17 1.294 4.644 -8.514 104 HB2 SER 17 1HB SER 17 -1.114 5.145 -6.811 105 HB3 SER 17 2HB SER 17 0.013 3.803 -6.781 106 HG SER 17 HG SER 17 1.611 5.395 -5.867 107 H ILE 18 H ILE 18 0.485 4.262 -10.547 108 HA ILE 18 HA ILE 18 -1.968 5.652 -11.306 109 HB ILE 18 HB ILE 18 0.091 4.175 -12.950 110 HG12 ILE 18 1HG1 ILE 18 -0.133 6.955 -13.584 111 HG13 ILE 18 2HG1 ILE 18 0.076 6.814 -11.850 112 HG21 ILE 18 1HG2 ILE 18 -1.138 4.501 -14.826 113 HG22 ILE 18 2HG2 ILE 18 -2.480 4.386 -13.663 114 HG23 ILE 18 3HG2 ILE 18 -1.909 5.981 -14.207 115 HD11 ILE 18 1HD1 ILE 18 2.264 6.928 -13.028 116 HD12 ILE 18 2HD1 ILE 18 2.070 5.377 -12.176 117 HD13 ILE 18 3HD1 ILE 18 1.844 5.458 -13.940 118 H GLY 19 H GLY 19 -3.838 4.550 -11.975 119 HA2 GLY 19 1HA GLY 19 -4.134 1.916 -10.834 120 HA3 GLY 19 2HA GLY 19 -5.369 2.911 -11.579 121 H HIS 20 H HIS 20 -2.225 1.415 -12.654 122 HA HIS 20 HA HIS 20 -3.732 0.109 -14.781 123 HB2 HIS 20 1HB HIS 20 -1.851 2.282 -15.111 124 HB3 HIS 20 2HB HIS 20 -1.239 0.837 -15.891 125 HD1 HIS 20 1HD HIS 20 -4.215 3.197 -15.963 126 HD2 HIS 20 2HD HIS 20 -2.542 0.099 -18.243 127 HE1 HIS 20 1HE HIS 20 -5.483 3.174 -18.177 128 H TYR 21 H TYR 21 -0.262 0.470 -13.754 129 HA TYR 21 HA TYR 21 1.295 -1.066 -13.355 130 HB2 TYR 21 1HB TYR 21 -1.267 -2.130 -12.053 131 HB3 TYR 21 2HB TYR 21 0.220 -3.043 -11.890 132 HD1 TYR 21 2HD TYR 21 -1.252 0.332 -11.251 133 HD2 TYR 21 1HD TYR 21 1.773 -2.507 -10.203 134 HE1 TYR 21 2HE TYR 21 -0.577 1.771 -9.267 135 HE2 TYR 21 1HE TYR 21 2.437 -1.058 -8.223 136 HH TYR 21 HH TYR 21 2.240 0.950 -7.319 137 H GLY 22 H GLY 22 1.859 -1.806 -15.429 138 HA2 GLY 22 1HA GLY 22 1.859 -3.165 -17.243 139 HA3 GLY 22 2HA GLY 22 1.846 -4.422 -16.022 140 H GLY 23 H GLY 23 0.449 -5.986 -16.751 141 HA2 GLY 23 1HA GLY 23 -2.120 -5.109 -17.894 142 HA3 GLY 23 2HA GLY 23 -1.348 -6.665 -18.129 143 H GLU 24 H GLU 24 -2.475 -4.574 -15.367 144 HA GLU 24 HA GLU 24 -4.062 -6.775 -14.448 145 HB2 GLU 24 1HB GLU 24 -3.074 -6.898 -12.222 146 HB3 GLU 24 2HB GLU 24 -1.827 -7.205 -13.414 147 HG2 GLU 24 1HG GLU 24 -0.686 -5.260 -12.930 148 HG3 GLU 24 2HG GLU 24 -2.152 -4.333 -12.680 149 H THR 25 H THR 25 -4.895 -5.873 -11.990 150 HA THR 25 HA THR 25 -5.603 -3.052 -12.405 151 HB THR 25 HB THR 25 -7.925 -4.039 -11.408 152 HG1 THR 25 1HG THR 25 -7.424 -6.239 -11.403 153 HG21 THR 25 1HG2 THR 25 -7.313 -2.983 -13.809 154 HG22 THR 25 2HG2 THR 25 -7.443 -4.683 -14.322 155 HG23 THR 25 3HG2 THR 25 -8.836 -3.872 -13.567 156 H VAL 26 H VAL 26 -5.086 -1.833 -10.709 157 HA VAL 26 HA VAL 26 -4.795 -3.231 -8.142 158 HB VAL 26 HB VAL 26 -3.365 -1.123 -7.665 159 HG11 VAL 26 1HG1 VAL 26 -2.013 -2.930 -7.623 160 HG12 VAL 26 2HG1 VAL 26 -2.730 -3.630 -9.095 161 HG13 VAL 26 3HG1 VAL 26 -1.494 -2.356 -9.226 162 HG21 VAL 26 1HG2 VAL 26 -4.206 -0.236 -10.044 163 HG22 VAL 26 2HG2 VAL 26 -2.607 0.182 -9.381 164 HG23 VAL 26 3HG2 VAL 26 -2.758 -1.117 -10.588 165 H LYS 27 H LYS 27 -5.933 -2.505 -6.361 166 HA LYS 27 HA LYS 27 -7.808 -0.321 -6.926 167 HB2 LYS 27 1HB LYS 27 -8.581 -2.748 -6.391 168 HB3 LYS 27 2HB LYS 27 -8.143 -2.366 -4.738 169 HG2 LYS 27 1HG LYS 27 -9.590 -0.103 -5.536 170 HG3 LYS 27 2HG LYS 27 -10.437 -1.411 -6.339 171 HD2 LYS 27 1HD LYS 27 -10.784 -2.590 -4.232 172 HD3 LYS 27 2HD LYS 27 -9.712 -1.498 -3.377 173 HE2 LYS 27 1HE LYS 27 -11.487 -0.166 -2.911 174 HE3 LYS 27 2HE LYS 27 -11.657 0.172 -4.622 175 HZ1 LYS 27 1HZ LYS 27 -13.471 -1.093 -3.152 176 HZ2 LYS 27 2HZ LYS 27 -13.363 -1.223 -4.777 177 HZ3 LYS 27 3HZ LYS 27 -12.698 -2.367 -3.820 178 H ILE 28 H ILE 28 -7.167 1.597 -6.112 179 HA ILE 28 HA ILE 28 -5.372 1.592 -3.836 180 HB ILE 28 HB ILE 28 -6.372 3.777 -5.662 181 HG12 ILE 28 1HG1 ILE 28 -3.617 2.534 -5.447 182 HG13 ILE 28 2HG1 ILE 28 -4.816 2.056 -6.632 183 HG21 ILE 28 1HG2 ILE 28 -4.307 4.952 -4.498 184 HG22 ILE 28 2HG2 ILE 28 -5.942 5.024 -3.797 185 HG23 ILE 28 3HG2 ILE 28 -4.748 3.869 -3.156 186 HD11 ILE 28 1HD1 ILE 28 -4.385 3.864 -7.936 187 HD12 ILE 28 2HD1 ILE 28 -4.499 4.976 -6.551 188 HD13 ILE 28 3HD1 ILE 28 -2.964 4.145 -6.902 189 H VAL 29 H VAL 29 -5.806 2.840 -1.889 190 HA VAL 29 HA VAL 29 -8.553 3.649 -1.478 191 HB VAL 29 HB VAL 29 -8.233 2.190 0.772 192 HG11 VAL 29 1HG1 VAL 29 -9.669 0.432 -0.464 193 HG12 VAL 29 2HG1 VAL 29 -10.278 2.102 -0.369 194 HG13 VAL 29 3HG1 VAL 29 -9.525 1.512 -1.871 195 HG21 VAL 29 1HG2 VAL 29 -7.247 0.092 0.410 196 HG22 VAL 29 2HG2 VAL 29 -7.200 0.313 -1.356 197 HG23 VAL 29 3HG2 VAL 29 -6.093 1.238 -0.313 198 H ARG 30 H ARG 30 -8.421 5.613 -0.534 199 HA ARG 30 HA ARG 30 -5.952 6.276 0.766 200 HB2 ARG 30 1HB ARG 30 -8.373 7.823 -0.201 201 HB3 ARG 30 2HB ARG 30 -7.306 8.576 0.967 202 HG2 ARG 30 1HG ARG 30 -5.531 8.728 -0.529 203 HG3 ARG 30 2HG ARG 30 -5.981 7.267 -1.387 204 HD2 ARG 30 1HD ARG 30 -8.018 9.400 -1.638 205 HD3 ARG 30 2HD ARG 30 -6.453 9.889 -2.257 206 HE ARG 30 HE ARG 30 -6.917 7.282 -3.250 207 HH11 ARG 30 2HH2 ARG 30 -8.378 10.470 -3.532 208 HH12 ARG 30 1HH2 ARG 30 -9.000 10.185 -5.123 209 HH21 ARG 30 2HH1 ARG 30 -7.737 6.905 -5.349 210 HH22 ARG 30 1HH1 ARG 30 -8.633 8.143 -6.163 211 H ILE 31 H ILE 31 -5.818 5.587 2.897 212 HA ILE 31 HA ILE 31 -8.239 5.779 4.523 213 HB ILE 31 HB ILE 31 -5.667 4.239 4.817 214 HG12 ILE 31 1HG1 ILE 31 -8.555 3.359 4.531 215 HG13 ILE 31 2HG1 ILE 31 -7.341 3.315 3.268 216 HG21 ILE 31 1HG2 ILE 31 -7.938 4.298 6.816 217 HG22 ILE 31 2HG2 ILE 31 -6.386 3.437 6.945 218 HG23 ILE 31 3HG2 ILE 31 -6.423 5.215 7.001 219 HD11 ILE 31 1HD1 ILE 31 -6.680 1.282 4.002 220 HD12 ILE 31 2HD1 ILE 31 -6.190 2.018 5.547 221 HD13 ILE 31 3HD1 ILE 31 -7.838 1.376 5.350 222 H GLU 32 H GLU 32 -8.372 7.104 6.327 223 HA GLU 32 HA GLU 32 -6.300 9.106 6.434 224 HB2 GLU 32 1HB GLU 32 -9.085 8.928 7.653 225 HB3 GLU 32 2HB GLU 32 -7.983 10.243 8.007 226 HG2 GLU 32 1HG GLU 32 -7.794 10.414 5.354 227 HG3 GLU 32 2HG GLU 32 -9.316 9.546 5.381 228 H LYS 33 H LYS 33 -4.569 8.619 7.726 229 HA LYS 33 HA LYS 33 -5.166 7.270 10.265 230 HB2 LYS 33 1HB LYS 33 -3.590 6.284 8.360 231 HB3 LYS 33 2HB LYS 33 -2.408 7.341 9.106 232 HG2 LYS 33 1HG LYS 33 -2.656 6.269 11.260 233 HG3 LYS 33 2HG LYS 33 -4.107 5.425 10.756 234 HD2 LYS 33 1HD LYS 33 -2.926 3.738 9.769 235 HD3 LYS 33 2HD LYS 33 -1.823 4.848 8.980 236 HE2 LYS 33 1HE LYS 33 -0.457 5.051 10.989 237 HE3 LYS 33 2HE LYS 33 -1.648 4.207 11.958 238 HZ1 LYS 33 1HZ LYS 33 -1.230 2.376 10.173 239 HZ2 LYS 33 2HZ LYS 33 0.209 3.132 10.016 240 HZ3 LYS 33 3HZ LYS 33 -0.243 2.530 11.465 241 H ALA 34 H ALA 34 -3.770 7.942 12.133 242 HA ALA 34 HA ALA 34 -3.124 10.803 11.901 243 HB1 ALA 34 1HB ALA 34 -5.165 10.418 13.217 244 HB2 ALA 34 2HB ALA 34 -4.295 9.259 14.251 245 HB3 ALA 34 3HB ALA 34 -3.842 10.980 14.268 246 H ARG 35 H ARG 35 -1.545 11.465 13.771 247 HA ARG 35 HA ARG 35 0.667 9.694 13.497 248 HB2 ARG 35 1HB ARG 35 0.838 12.225 13.357 249 HB3 ARG 35 2HB ARG 35 0.451 12.315 15.064 250 HG2 ARG 35 1HG ARG 35 2.507 11.399 15.729 251 HG3 ARG 35 2HG ARG 35 2.722 10.511 14.234 252 HD2 ARG 35 1HD ARG 35 2.893 12.907 13.122 253 HD3 ARG 35 2HD ARG 35 3.195 13.465 14.755 254 HE ARG 35 HE ARG 35 5.044 12.004 13.079 255 HH11 ARG 35 2HH2 ARG 35 4.057 12.400 16.433 256 HH12 ARG 35 1HH2 ARG 35 5.595 11.928 17.075 257 HH21 ARG 35 2HH1 ARG 35 7.073 11.381 13.925 258 HH22 ARG 35 1HH1 ARG 35 7.322 11.345 15.639 259 H ASP 36 H ASP 36 -1.924 9.332 15.339 260 HA ASP 36 HA ASP 36 -0.388 8.210 17.499 261 HB2 ASP 36 1HB ASP 36 -2.083 9.145 19.169 262 HB3 ASP 36 2HB ASP 36 -0.951 10.310 18.511 263 H ILE 37 H ILE 37 -2.042 7.361 15.079 264 HA ILE 37 HA ILE 37 -4.138 5.890 16.520 265 HB ILE 37 HB ILE 37 -4.124 7.303 13.910 266 HG12 ILE 37 1HG1 ILE 37 -5.345 7.827 16.220 267 HG13 ILE 37 2HG1 ILE 37 -6.043 8.244 14.668 268 HG21 ILE 37 1HG2 ILE 37 -4.416 5.083 13.086 269 HG22 ILE 37 2HG2 ILE 37 -5.573 4.688 14.379 270 HG23 ILE 37 3HG2 ILE 37 -6.016 5.862 13.116 271 HD11 ILE 37 1HD1 ILE 37 -7.615 7.037 16.274 272 HD12 ILE 37 2HD1 ILE 37 -7.464 6.285 14.668 273 HD13 ILE 37 3HD1 ILE 37 -6.601 5.590 16.061 274 HA PRO 38 HA PRO 38 -1.741 2.461 15.350 275 HB2 PRO 38 1HB PRO 38 -3.324 0.508 16.422 276 HB3 PRO 38 2HB PRO 38 -2.143 1.404 17.356 277 HG2 PRO 38 1HG PRO 38 -5.087 1.675 17.341 278 HG3 PRO 38 2HG PRO 38 -3.939 2.237 18.540 279 HD2 PRO 38 1HD PRO 38 -5.272 3.829 16.561 280 HD3 PRO 38 2HD PRO 38 -4.039 4.368 17.684 281 H LEU 39 H LEU 39 -1.492 1.044 13.663 282 HA LEU 39 HA LEU 39 -3.243 1.403 11.549 283 HB2 LEU 39 1HB LEU 39 -0.919 0.710 11.335 284 HB3 LEU 39 2HB LEU 39 -1.279 -0.825 12.100 285 HG LEU 39 HG LEU 39 -2.764 -1.418 10.214 286 HD11 LEU 39 1HD1 LEU 39 -1.739 1.069 8.829 287 HD12 LEU 39 2HD1 LEU 39 -2.944 -0.101 8.240 288 HD13 LEU 39 3HD1 LEU 39 -3.331 0.958 9.617 289 HD21 LEU 39 1HD2 LEU 39 -0.019 -0.621 9.222 290 HD22 LEU 39 2HD2 LEU 39 -0.325 -2.013 10.288 291 HD23 LEU 39 3HD2 LEU 39 -1.042 -1.965 8.659 292 H GLY 40 H GLY 40 -2.892 -1.479 13.740 293 HA2 GLY 40 1HA GLY 40 -4.443 -2.941 14.472 294 HA3 GLY 40 2HA GLY 40 -5.702 -1.854 13.919 295 H ALA 41 H ALA 41 -3.078 -3.206 11.861 296 HA ALA 41 HA ALA 41 -4.945 -5.103 10.695 297 HB1 ALA 41 1HB ALA 41 -5.303 -2.973 9.464 298 HB2 ALA 41 2HB ALA 41 -3.567 -2.924 9.073 299 HB3 ALA 41 3HB ALA 41 -4.588 -4.232 8.430 300 H THR 42 H THR 42 -3.871 -7.003 10.545 301 HA THR 42 HA THR 42 -0.976 -6.960 10.712 302 HB THR 42 HB THR 42 -2.793 -9.397 10.514 303 HG1 THR 42 1HG THR 42 -2.186 -7.541 12.707 304 HG21 THR 42 1HG2 THR 42 -0.309 -9.752 10.712 305 HG22 THR 42 2HG2 THR 42 -0.304 -8.745 12.180 306 HG23 THR 42 3HG2 THR 42 -1.172 -10.299 12.169 307 H VAL 43 H VAL 43 0.440 -8.035 9.234 308 HA VAL 43 HA VAL 43 -0.728 -8.598 6.622 309 HB VAL 43 HB VAL 43 0.574 -7.099 5.456 310 HG11 VAL 43 1HG1 VAL 43 -1.160 -5.886 6.641 311 HG12 VAL 43 2HG1 VAL 43 -0.105 -5.698 8.063 312 HG13 VAL 43 3HG1 VAL 43 0.303 -4.876 6.538 313 HG21 VAL 43 1HG2 VAL 43 2.718 -7.703 6.552 314 HG22 VAL 43 2HG2 VAL 43 2.550 -5.951 6.285 315 HG23 VAL 43 3HG2 VAL 43 2.301 -6.632 7.911 316 H ARG 44 H ARG 44 0.576 -10.033 5.331 317 HA ARG 44 HA ARG 44 2.479 -11.451 7.002 318 HB2 ARG 44 1HB ARG 44 1.028 -12.374 4.470 319 HB3 ARG 44 2HB ARG 44 2.084 -13.375 5.446 320 HG2 ARG 44 1HG ARG 44 0.458 -12.679 7.430 321 HG3 ARG 44 2HG ARG 44 -0.657 -12.284 6.136 322 HD2 ARG 44 1HD ARG 44 -0.936 -14.640 6.976 323 HD3 ARG 44 2HD ARG 44 -0.570 -14.572 5.264 324 HE ARG 44 HE ARG 44 1.851 -14.784 6.864 325 HH11 ARG 44 2HH2 ARG 44 -0.807 -16.645 5.502 326 HH12 ARG 44 1HH2 ARG 44 0.083 -18.131 5.467 327 HH21 ARG 44 2HH1 ARG 44 3.025 -16.743 6.817 328 HH22 ARG 44 1HH1 ARG 44 2.277 -18.187 6.220 329 H ASN 45 H ASN 45 4.547 -12.146 6.061 330 HA ASN 45 HA ASN 45 5.359 -10.339 3.948 331 HB2 ASN 45 1HB ASN 45 6.630 -10.542 6.191 332 HB3 ASN 45 2HB ASN 45 7.123 -12.144 5.679 333 HD21 ASN 45 1HD2 ASN 45 6.764 -8.996 4.043 334 HD22 ASN 45 2HD2 ASN 45 8.361 -8.911 3.379 335 H GLU 46 H GLU 46 5.231 -11.269 1.895 336 HA GLU 46 HA GLU 46 5.576 -14.140 1.723 337 HB2 GLU 46 1HB GLU 46 4.302 -12.041 -0.036 338 HB3 GLU 46 2HB GLU 46 4.828 -13.546 -0.764 339 HG2 GLU 46 1HG GLU 46 2.859 -13.235 1.549 340 HG3 GLU 46 2HG GLU 46 2.481 -13.756 -0.081 341 H MET 47 H MET 47 6.802 -14.941 -0.321 342 HA MET 47 HA MET 47 9.301 -14.757 -0.293 343 HB2 MET 47 1HB MET 47 7.583 -14.326 -2.787 344 HB3 MET 47 2HB MET 47 9.313 -14.579 -2.917 345 HG2 MET 47 1HG MET 47 7.927 -16.554 -1.169 346 HG3 MET 47 2HG MET 47 7.422 -16.605 -2.846 347 HE1 MET 47 1HE MET 47 11.258 -16.371 -0.958 348 HE2 MET 47 2HE MET 47 9.790 -17.067 -0.231 349 HE3 MET 47 3HE MET 47 11.051 -18.138 -0.888 350 H ASP 48 H ASP 48 7.530 -12.125 -2.085 351 HA ASP 48 HA ASP 48 9.416 -10.242 -1.052 352 HB2 ASP 48 1HB ASP 48 9.068 -10.460 -4.072 353 HB3 ASP 48 2HB ASP 48 10.179 -9.415 -3.208 354 H SER 49 H SER 49 6.451 -10.950 -1.054 355 HA SER 49 HA SER 49 5.520 -8.388 -2.075 356 HB2 SER 49 1HB SER 49 4.304 -11.135 -2.469 357 HB3 SER 49 2HB SER 49 3.272 -9.718 -2.457 358 HG SER 49 HG SER 49 5.600 -9.589 -4.086 359 H VAL 50 H VAL 50 3.604 -7.531 -0.885 360 HA VAL 50 HA VAL 50 3.547 -8.601 1.846 361 HB VAL 50 HB VAL 50 3.244 -5.850 0.673 362 HG11 VAL 50 1HG1 VAL 50 2.347 -6.759 3.427 363 HG12 VAL 50 2HG1 VAL 50 2.573 -5.061 2.946 364 HG13 VAL 50 3HG1 VAL 50 1.337 -6.057 2.141 365 HG21 VAL 50 1HG2 VAL 50 5.270 -7.294 2.140 366 HG22 VAL 50 2HG2 VAL 50 5.348 -5.679 1.394 367 HG23 VAL 50 3HG2 VAL 50 4.752 -5.861 3.061 368 H ILE 51 H ILE 51 1.759 -9.724 2.397 369 HA ILE 51 HA ILE 51 -0.734 -8.975 1.036 370 HB ILE 51 HB ILE 51 -0.031 -11.783 1.859 371 HG12 ILE 51 1HG1 ILE 51 1.666 -11.232 0.279 372 HG13 ILE 51 2HG1 ILE 51 0.465 -12.198 -0.555 373 HG21 ILE 51 1HG2 ILE 51 -1.812 -12.333 0.207 374 HG22 ILE 51 2HG2 ILE 51 -2.387 -11.399 1.608 375 HG23 ILE 51 3HG2 ILE 51 -2.140 -10.592 0.041 376 HD11 ILE 51 1HD1 ILE 51 1.330 -9.469 -1.106 377 HD12 ILE 51 2HD1 ILE 51 0.320 -10.547 -2.099 378 HD13 ILE 51 3HD1 ILE 51 -0.430 -9.525 -0.849 379 H ILE 52 H ILE 52 -2.459 -8.563 2.355 380 HA ILE 52 HA ILE 52 -2.027 -8.136 5.058 381 HB ILE 52 HB ILE 52 -4.609 -8.527 3.541 382 HG12 ILE 52 1HG1 ILE 52 -3.048 -6.758 2.673 383 HG13 ILE 52 2HG1 ILE 52 -4.627 -6.185 3.171 384 HG21 ILE 52 1HG2 ILE 52 -4.464 -6.836 5.985 385 HG22 ILE 52 2HG2 ILE 52 -5.799 -7.820 5.339 386 HG23 ILE 52 3HG2 ILE 52 -4.457 -8.602 6.209 387 HD11 ILE 52 1HD1 ILE 52 -2.666 -6.180 5.383 388 HD12 ILE 52 2HD1 ILE 52 -2.196 -5.137 4.019 389 HD13 ILE 52 3HD1 ILE 52 -3.760 -4.889 4.832 390 H SER 53 H SER 53 -2.505 -9.295 6.946 391 HA SER 53 HA SER 53 -2.922 -12.131 6.435 392 HB2 SER 53 1HB SER 53 -1.433 -12.599 8.110 393 HB3 SER 53 2HB SER 53 -0.857 -10.980 7.769 394 HG SER 53 HG SER 53 -2.191 -11.965 10.022 395 H ARG 54 H ARG 54 -3.687 -9.479 8.806 396 HA ARG 54 HA ARG 54 -6.348 -10.540 8.971 397 HB2 ARG 54 1HB ARG 54 -5.201 -11.735 10.805 398 HB3 ARG 54 2HB ARG 54 -4.533 -10.234 11.415 399 HG2 ARG 54 1HG ARG 54 -6.719 -9.410 12.062 400 HG3 ARG 54 2HG ARG 54 -7.538 -10.679 11.172 401 HD2 ARG 54 1HD ARG 54 -5.791 -12.046 12.947 402 HD3 ARG 54 2HD ARG 54 -6.463 -10.737 13.897 403 HE ARG 54 HE ARG 54 -8.657 -11.815 12.535 404 HH11 ARG 54 2HH2 ARG 54 -6.226 -13.042 14.763 405 HH12 ARG 54 1HH2 ARG 54 -7.265 -14.258 15.428 406 HH21 ARG 54 2HH1 ARG 54 -10.029 -13.418 13.412 407 HH22 ARG 54 1HH1 ARG 54 -9.443 -14.473 14.655 408 H ILE 55 H ILE 55 -7.795 -8.967 10.295 409 HA ILE 55 HA ILE 55 -6.667 -6.258 10.171 410 HB ILE 55 HB ILE 55 -9.397 -7.193 9.282 411 HG12 ILE 55 1HG1 ILE 55 -7.684 -7.663 7.636 412 HG13 ILE 55 2HG1 ILE 55 -8.701 -6.347 7.083 413 HG21 ILE 55 1HG2 ILE 55 -8.533 -4.368 8.925 414 HG22 ILE 55 2HG2 ILE 55 -10.154 -5.056 9.187 415 HG23 ILE 55 3HG2 ILE 55 -9.033 -4.872 10.557 416 HD11 ILE 55 1HD1 ILE 55 -6.781 -5.184 6.740 417 HD12 ILE 55 2HD1 ILE 55 -6.679 -5.030 8.510 418 HD13 ILE 55 3HD1 ILE 55 -5.824 -6.353 7.682 419 H VAL 56 H VAL 56 -6.621 -5.313 12.132 420 HA VAL 56 HA VAL 56 -8.153 -6.522 14.262 421 HB VAL 56 HB VAL 56 -6.302 -4.140 14.369 422 HG11 VAL 56 1HG1 VAL 56 -6.898 -6.204 16.506 423 HG12 VAL 56 2HG1 VAL 56 -6.069 -4.638 16.685 424 HG13 VAL 56 3HG1 VAL 56 -7.813 -4.687 16.333 425 HG21 VAL 56 1HG2 VAL 56 -4.571 -5.446 13.855 426 HG22 VAL 56 2HG2 VAL 56 -4.959 -6.482 15.250 427 HG23 VAL 56 3HG2 VAL 56 -5.653 -6.844 13.651 428 H LYS 57 H LYS 57 -9.716 -5.409 15.554 429 HA LYS 57 HA LYS 57 -11.271 -3.561 14.014 430 HB2 LYS 57 1HB LYS 57 -12.562 -5.131 15.150 431 HB3 LYS 57 2HB LYS 57 -11.606 -5.028 16.615 432 HG2 LYS 57 1HG LYS 57 -12.529 -2.881 17.199 433 HG3 LYS 57 2HG LYS 57 -13.191 -2.638 15.595 434 HD2 LYS 57 1HD LYS 57 -15.083 -3.285 16.859 435 HD3 LYS 57 2HD LYS 57 -14.622 -4.771 16.053 436 HE2 LYS 57 1HE LYS 57 -14.071 -5.808 18.018 437 HE3 LYS 57 2HE LYS 57 -13.214 -4.406 18.627 438 HZ1 LYS 57 1HZ LYS 57 -15.545 -5.224 19.559 439 HZ2 LYS 57 2HZ LYS 57 -15.032 -3.677 19.666 440 HZ3 LYS 57 3HZ LYS 57 -16.065 -4.114 18.479 441 H GLY 58 H GLY 58 -11.777 -1.383 14.562 442 HA2 GLY 58 1HA GLY 58 -11.515 0.610 15.644 443 HA3 GLY 58 2HA GLY 58 -10.421 -0.137 16.792 444 H GLY 59 H GLY 59 -9.162 -1.294 14.013 445 HA2 GLY 59 1HA GLY 59 -7.053 0.664 13.960 446 HA3 GLY 59 2HA GLY 59 -7.167 -0.821 13.035 447 H ALA 60 H ALA 60 -6.719 2.284 12.477 448 HA ALA 60 HA ALA 60 -8.657 3.418 11.027 449 HB1 ALA 60 1HB ALA 60 -5.669 3.219 10.573 450 HB2 ALA 60 2HB ALA 60 -6.703 4.219 9.523 451 HB3 ALA 60 3HB ALA 60 -6.605 4.564 11.267 452 H ALA 61 H ALA 61 -6.838 0.478 10.212 453 HA ALA 61 HA ALA 61 -7.516 0.410 7.482 454 HB1 ALA 61 1HB ALA 61 -6.410 -1.611 7.504 455 HB2 ALA 61 2HB ALA 61 -5.785 -0.933 9.027 456 HB3 ALA 61 3HB ALA 61 -7.122 -2.108 9.058 457 H GLU 62 H GLU 62 -8.876 -1.424 10.318 458 HA GLU 62 HA GLU 62 -10.979 -2.481 8.877 459 HB2 GLU 62 1HB GLU 62 -10.452 -3.514 10.947 460 HB3 GLU 62 2HB GLU 62 -10.481 -1.998 11.826 461 HG2 GLU 62 1HG GLU 62 -12.800 -1.970 12.000 462 HG3 GLU 62 2HG GLU 62 -13.038 -2.789 10.470 463 H LYS 63 H LYS 63 -10.915 0.367 11.141 464 HA LYS 63 HA LYS 63 -13.471 1.166 11.034 465 HB2 LYS 63 1HB LYS 63 -11.111 3.051 10.787 466 HB3 LYS 63 2HB LYS 63 -12.684 3.409 11.471 467 HG2 LYS 63 1HG LYS 63 -12.119 1.313 13.043 468 HG3 LYS 63 2HG LYS 63 -10.466 1.698 12.604 469 HD2 LYS 63 1HD LYS 63 -12.481 3.480 14.028 470 HD3 LYS 63 2HD LYS 63 -10.926 2.930 14.621 471 HE2 LYS 63 1HE LYS 63 -10.152 4.959 13.904 472 HE3 LYS 63 2HE LYS 63 -10.161 4.234 12.309 473 HZ1 LYS 63 1HZ LYS 63 -11.846 5.511 11.715 474 HZ2 LYS 63 2HZ LYS 63 -12.717 5.198 13.060 475 HZ3 LYS 63 3HZ LYS 63 -11.595 6.384 13.072 476 H SER 64 H SER 64 -10.968 2.323 8.658 477 HA SER 64 HA SER 64 -12.885 3.456 6.995 478 HB2 SER 64 1HB SER 64 -11.061 3.745 5.408 479 HB3 SER 64 2HB SER 64 -10.453 4.051 7.023 480 HG SER 64 HG SER 64 -8.966 2.585 6.570 481 H GLY 65 H GLY 65 -11.709 0.169 7.430 482 HA2 GLY 65 1HA GLY 65 -12.225 -1.779 6.439 483 HA3 GLY 65 2HA GLY 65 -13.709 -1.014 5.907 484 H LEU 66 H LEU 66 -10.357 -0.001 5.044 485 HA LEU 66 HA LEU 66 -11.040 -0.627 2.258 486 HB2 LEU 66 1HB LEU 66 -8.939 1.339 3.108 487 HB3 LEU 66 2HB LEU 66 -9.767 1.201 1.570 488 HG LEU 66 HG LEU 66 -10.970 2.182 4.172 489 HD11 LEU 66 1HD1 LEU 66 -9.395 3.520 2.272 490 HD12 LEU 66 2HD1 LEU 66 -11.070 4.036 1.961 491 HD13 LEU 66 3HD1 LEU 66 -10.364 4.234 3.583 492 HD21 LEU 66 1HD2 LEU 66 -12.290 2.063 1.449 493 HD22 LEU 66 2HD2 LEU 66 -12.577 0.898 2.763 494 HD23 LEU 66 3HD2 LEU 66 -13.009 2.611 2.982 495 H LEU 67 H LEU 67 -9.704 -2.175 4.693 496 HA LEU 67 HA LEU 67 -7.592 -3.269 3.003 497 HB2 LEU 67 1HB LEU 67 -7.242 -2.416 5.879 498 HB3 LEU 67 2HB LEU 67 -6.119 -3.439 5.005 499 HG LEU 67 HG LEU 67 -6.844 -0.706 3.961 500 HD11 LEU 67 1HD1 LEU 67 -4.658 0.016 5.121 501 HD12 LEU 67 2HD1 LEU 67 -6.144 -0.091 6.095 502 HD13 LEU 67 3HD1 LEU 67 -4.927 -1.388 6.181 503 HD21 LEU 67 1HD2 LEU 67 -5.576 -1.482 2.293 504 HD22 LEU 67 2HD2 LEU 67 -4.202 -1.211 3.392 505 HD23 LEU 67 3HD2 LEU 67 -4.941 -2.826 3.272 506 H HIS 68 H HIS 68 -7.866 -5.423 2.788 507 HA HIS 68 HA HIS 68 -9.111 -6.823 5.025 508 HB2 HIS 68 1HB HIS 68 -10.206 -6.445 2.330 509 HB3 HIS 68 2HB HIS 68 -10.099 -8.132 2.792 510 HD1 HIS 68 1HD HIS 68 -12.014 -9.010 4.145 511 HD2 HIS 68 2HD HIS 68 -11.658 -4.840 4.423 512 HE1 HIS 68 1HE HIS 68 -14.014 -8.212 5.514 513 H GLU 69 H GLU 69 -8.648 -9.183 5.012 514 HA GLU 69 HA GLU 69 -5.966 -9.622 4.492 515 HB2 GLU 69 1HB GLU 69 -8.176 -11.679 4.933 516 HB3 GLU 69 2HB GLU 69 -6.459 -11.976 5.115 517 HG2 GLU 69 1HG GLU 69 -6.304 -10.389 6.969 518 HG3 GLU 69 2HG GLU 69 -7.944 -9.831 6.699 519 H GLY 70 H GLY 70 -4.849 -10.402 2.725 520 HA2 GLY 70 1HA GLY 70 -4.759 -11.883 0.849 521 HA3 GLY 70 2HA GLY 70 -6.443 -11.536 0.514 522 H ASP 71 H ASP 71 -5.582 -8.563 1.412 523 HA ASP 71 HA ASP 71 -5.352 -7.668 -1.235 524 HB2 ASP 71 1HB ASP 71 -5.575 -6.514 1.480 525 HB3 ASP 71 2HB ASP 71 -4.579 -5.536 0.420 526 H GLU 72 H GLU 72 -3.449 -7.413 -2.424 527 HA GLU 72 HA GLU 72 -0.970 -7.637 -0.930 528 HB2 GLU 72 1HB GLU 72 -1.162 -9.283 -2.679 529 HB3 GLU 72 2HB GLU 72 -1.679 -8.089 -3.853 530 HG2 GLU 72 1HG GLU 72 0.537 -7.003 -3.795 531 HG3 GLU 72 2HG GLU 72 1.064 -8.070 -2.509 532 H VAL 73 H VAL 73 -0.392 -5.588 -0.232 533 HA VAL 73 HA VAL 73 -0.849 -3.310 -1.907 534 HB VAL 73 HB VAL 73 -1.109 -2.990 0.403 535 HG11 VAL 73 1HG1 VAL 73 1.159 -3.367 1.824 536 HG12 VAL 73 2HG1 VAL 73 -0.108 -4.605 1.646 537 HG13 VAL 73 3HG1 VAL 73 1.341 -4.659 0.613 538 HG21 VAL 73 1HG2 VAL 73 1.338 -1.761 -0.796 539 HG22 VAL 73 2HG2 VAL 73 -0.182 -1.004 -0.260 540 HG23 VAL 73 3HG2 VAL 73 1.036 -1.501 0.939 541 H LEU 74 H LEU 74 0.569 -2.305 -3.284 542 HA LEU 74 HA LEU 74 3.263 -3.475 -3.389 543 HB2 LEU 74 1HB LEU 74 2.007 -2.192 -5.769 544 HB3 LEU 74 2HB LEU 74 3.237 -3.437 -5.680 545 HG LEU 74 HG LEU 74 0.428 -4.039 -4.786 546 HD11 LEU 74 1HD1 LEU 74 -0.463 -3.923 -6.815 547 HD12 LEU 74 2HD1 LEU 74 1.014 -3.094 -7.363 548 HD13 LEU 74 3HD1 LEU 74 0.876 -4.861 -7.518 549 HD21 LEU 74 1HD2 LEU 74 2.697 -5.698 -5.913 550 HD22 LEU 74 2HD2 LEU 74 2.059 -5.711 -4.251 551 HD23 LEU 74 3HD2 LEU 74 1.058 -6.315 -5.593 552 H GLU 75 H GLU 75 1.210 -0.565 -3.387 553 HA GLU 75 HA GLU 75 3.613 0.943 -2.809 554 HB2 GLU 75 1HB GLU 75 2.094 1.164 -5.267 555 HB3 GLU 75 2HB GLU 75 1.933 2.659 -4.367 556 HG2 GLU 75 1HG GLU 75 4.361 2.916 -4.216 557 HG3 GLU 75 2HG GLU 75 4.625 1.316 -4.878 558 H ILE 76 H ILE 76 3.250 2.778 -1.426 559 HA ILE 76 HA ILE 76 0.490 3.127 -0.531 560 HB ILE 76 HB ILE 76 2.851 2.328 1.136 561 HG12 ILE 76 1HG1 ILE 76 -0.009 1.389 0.849 562 HG13 ILE 76 2HG1 ILE 76 1.460 0.510 0.475 563 HG21 ILE 76 1HG2 ILE 76 0.990 4.420 1.792 564 HG22 ILE 76 2HG2 ILE 76 0.746 3.030 2.877 565 HG23 ILE 76 3HG2 ILE 76 2.355 3.779 2.737 566 HD11 ILE 76 1HD1 ILE 76 0.247 1.130 3.163 567 HD12 ILE 76 2HD1 ILE 76 0.961 -0.387 2.567 568 HD13 ILE 76 3HD1 ILE 76 2.016 0.962 3.051 569 H ASN 77 H ASN 77 0.037 5.207 -1.008 570 HA ASN 77 HA ASN 77 0.201 7.363 -1.154 571 HB2 ASN 77 1HB ASN 77 1.718 6.720 1.251 572 HB3 ASN 77 2HB ASN 77 2.472 8.089 0.459 573 HD21 ASN 77 1HD2 ASN 77 1.605 8.824 2.696 574 HD22 ASN 77 2HD2 ASN 77 0.073 9.632 2.685 575 H GLY 78 H GLY 78 2.197 5.339 -2.555 576 HA2 GLY 78 1HA GLY 78 3.329 6.116 -4.546 577 HA3 GLY 78 2HA GLY 78 4.031 7.412 -3.598 578 H ILE 79 H ILE 79 4.439 5.593 -1.196 579 HA ILE 79 HA ILE 79 7.038 4.725 -1.913 580 HB ILE 79 HB ILE 79 5.349 4.444 0.566 581 HG12 ILE 79 1HG1 ILE 79 7.551 5.952 1.187 582 HG13 ILE 79 2HG1 ILE 79 7.275 6.423 -0.478 583 HG21 ILE 79 1HG2 ILE 79 6.870 2.517 0.400 584 HG22 ILE 79 2HG2 ILE 79 8.247 3.630 0.217 585 HG23 ILE 79 3HG2 ILE 79 7.312 3.613 1.731 586 HD11 ILE 79 1HD1 ILE 79 5.712 7.850 0.361 587 HD12 ILE 79 2HD1 ILE 79 4.690 6.407 0.565 588 HD13 ILE 79 3HD1 ILE 79 5.667 7.006 1.927 589 H GLU 80 H GLU 80 7.805 2.720 -2.476 590 HA GLU 80 HA GLU 80 5.945 0.896 -3.467 591 HB2 GLU 80 1HB GLU 80 8.673 1.365 -3.765 592 HB3 GLU 80 2HB GLU 80 8.651 -0.175 -2.928 593 HG2 GLU 80 1HG GLU 80 6.840 -0.877 -4.693 594 HG3 GLU 80 2HG GLU 80 7.378 0.524 -5.599 595 H ILE 81 H ILE 81 6.065 -1.562 -2.837 596 HA ILE 81 HA ILE 81 6.373 -1.857 0.052 597 HB ILE 81 HB ILE 81 3.882 -2.453 -1.538 598 HG12 ILE 81 1HG1 ILE 81 4.611 -0.181 -0.171 599 HG13 ILE 81 2HG1 ILE 81 2.972 -0.665 -0.557 600 HG21 ILE 81 1HG2 ILE 81 2.985 -3.525 0.470 601 HG22 ILE 81 2HG2 ILE 81 4.408 -4.395 -0.151 602 HG23 ILE 81 3HG2 ILE 81 4.561 -3.346 1.278 603 HD11 ILE 81 1HD1 ILE 81 3.147 -0.160 1.843 604 HD12 ILE 81 2HD1 ILE 81 2.831 -1.898 1.622 605 HD13 ILE 81 3HD1 ILE 81 4.473 -1.335 2.016 606 H ARG 82 H ARG 82 5.689 -3.441 -3.134 607 HA ARG 82 HA ARG 82 6.106 -5.971 -2.605 608 HB2 ARG 82 1HB ARG 82 6.064 -4.500 -4.900 609 HB3 ARG 82 2HB ARG 82 7.762 -4.932 -4.895 610 HG2 ARG 82 1HG ARG 82 6.955 -6.800 -5.991 611 HG3 ARG 82 2HG ARG 82 6.767 -7.379 -4.347 612 HD2 ARG 82 1HD ARG 82 4.538 -7.605 -4.706 613 HD3 ARG 82 2HD ARG 82 4.409 -5.869 -4.904 614 HE ARG 82 HE ARG 82 5.303 -6.597 -7.373 615 HH11 ARG 82 2HH2 ARG 82 2.745 -7.929 -5.357 616 HH12 ARG 82 1HH2 ARG 82 1.793 -8.470 -6.699 617 HH21 ARG 82 2HH1 ARG 82 4.048 -7.310 -9.144 618 HH22 ARG 82 1HH1 ARG 82 2.539 -8.115 -8.868 619 H GLY 83 H GLY 83 7.617 -7.065 -1.391 620 HA2 GLY 83 1HA GLY 83 9.816 -7.865 -1.148 621 HA3 GLY 83 2HA GLY 83 10.446 -6.333 -1.719 622 H LYS 84 H LYS 84 8.901 -4.500 -0.160 623 HA LYS 84 HA LYS 84 10.382 -4.181 2.062 624 HB2 LYS 84 1HB LYS 84 7.475 -3.451 1.614 625 HB3 LYS 84 2HB LYS 84 8.439 -2.849 2.947 626 HG2 LYS 84 1HG LYS 84 10.114 -2.349 0.793 627 HG3 LYS 84 2HG LYS 84 8.537 -2.125 0.062 628 HD2 LYS 84 1HD LYS 84 7.979 -0.640 2.130 629 HD3 LYS 84 2HD LYS 84 9.698 -0.667 2.470 630 HE2 LYS 84 1HE LYS 84 8.823 0.043 -0.332 631 HE3 LYS 84 2HE LYS 84 8.600 1.242 0.926 632 HZ1 LYS 84 1HZ LYS 84 11.133 -0.067 0.219 633 HZ2 LYS 84 2HZ LYS 84 10.734 1.493 -0.054 634 HZ3 LYS 84 3HZ LYS 84 10.951 0.962 1.475 635 H ASP 85 H ASP 85 10.616 -5.097 4.051 636 HA ASP 85 HA ASP 85 9.353 -7.551 4.497 637 HB2 ASP 85 1HB ASP 85 11.638 -6.865 5.336 638 HB3 ASP 85 2HB ASP 85 10.866 -5.766 6.462 639 H VAL 86 H VAL 86 7.849 -8.083 6.298 640 HA VAL 86 HA VAL 86 5.658 -6.534 6.533 641 HB VAL 86 HB VAL 86 6.142 -8.923 7.303 642 HG11 VAL 86 1HG1 VAL 86 6.771 -7.510 9.916 643 HG12 VAL 86 2HG1 VAL 86 6.680 -9.266 9.641 644 HG13 VAL 86 3HG1 VAL 86 7.973 -8.311 8.876 645 HG21 VAL 86 1HG2 VAL 86 3.970 -8.655 7.767 646 HG22 VAL 86 2HG2 VAL 86 4.459 -8.256 9.431 647 HG23 VAL 86 3HG2 VAL 86 4.208 -6.956 8.241 648 H ASN 87 H ASN 87 8.710 -6.289 8.392 649 HA ASN 87 HA ASN 87 7.683 -4.475 10.260 650 HB2 ASN 87 1HB ASN 87 10.142 -5.840 9.777 651 HB3 ASN 87 2HB ASN 87 10.553 -4.137 9.741 652 HD21 ASN 87 1HD2 ASN 87 8.528 -6.416 11.583 653 HD22 ASN 87 2HD2 ASN 87 8.891 -5.807 13.163 654 H GLU 88 H GLU 88 9.528 -4.225 7.152 655 HA GLU 88 HA GLU 88 10.068 -1.562 7.178 656 HB2 GLU 88 1HB GLU 88 9.853 -3.697 5.161 657 HB3 GLU 88 2HB GLU 88 9.475 -2.121 4.495 658 HG2 GLU 88 1HG GLU 88 11.819 -1.992 6.263 659 HG3 GLU 88 2HG GLU 88 12.051 -3.172 4.988 660 H VAL 89 H VAL 89 7.156 -3.202 5.739 661 HA VAL 89 HA VAL 89 5.856 -0.913 4.921 662 HB VAL 89 HB VAL 89 5.043 -3.683 5.697 663 HG11 VAL 89 1HG1 VAL 89 3.162 -2.501 6.545 664 HG12 VAL 89 2HG1 VAL 89 3.145 -1.384 5.159 665 HG13 VAL 89 3HG1 VAL 89 2.692 -3.090 4.932 666 HG21 VAL 89 1HG2 VAL 89 5.435 -3.985 3.523 667 HG22 VAL 89 2HG2 VAL 89 4.064 -2.911 3.159 668 HG23 VAL 89 3HG2 VAL 89 5.708 -2.242 3.288 669 H PHE 90 H PHE 90 5.850 -2.584 8.121 670 HA PHE 90 HA PHE 90 3.908 -0.947 9.282 671 HB2 PHE 90 1HB PHE 90 6.329 -2.526 10.331 672 HB3 PHE 90 2HB PHE 90 5.146 -1.815 11.410 673 HD1 PHE 90 1HD PHE 90 3.276 -2.717 8.676 674 HD2 PHE 90 2HD PHE 90 5.401 -4.497 11.888 675 HE1 PHE 90 1HE PHE 90 1.855 -4.776 8.474 676 HE2 PHE 90 2HE PHE 90 3.980 -6.557 11.687 677 HZ PHE 90 HZ PHE 90 2.224 -6.672 9.982 678 H ASP 91 H ASP 91 7.482 -0.937 9.971 679 HA ASP 91 HA ASP 91 7.592 1.314 11.388 680 HB2 ASP 91 1HB ASP 91 9.427 -0.367 10.141 681 HB3 ASP 91 2HB ASP 91 9.741 1.159 9.339 682 H LEU 92 H LEU 92 6.958 0.935 7.931 683 HA LEU 92 HA LEU 92 7.663 3.566 7.149 684 HB2 LEU 92 1HB LEU 92 6.383 1.188 5.960 685 HB3 LEU 92 2HB LEU 92 5.886 2.723 5.276 686 HG LEU 92 HG LEU 92 8.817 2.258 5.604 687 HD11 LEU 92 1HD1 LEU 92 8.428 1.229 3.110 688 HD12 LEU 92 2HD1 LEU 92 8.715 0.265 4.579 689 HD13 LEU 92 3HD1 LEU 92 7.053 0.529 3.998 690 HD21 LEU 92 1HD2 LEU 92 8.699 3.364 3.269 691 HD22 LEU 92 2HD2 LEU 92 7.010 3.728 3.698 692 HD23 LEU 92 3HD2 LEU 92 8.338 4.348 4.708 693 H LEU 93 H LEU 93 4.367 2.039 7.270 694 HA LEU 93 HA LEU 93 2.924 4.330 7.157 695 HB2 LEU 93 1HB LEU 93 2.309 1.831 8.740 696 HB3 LEU 93 2HB LEU 93 1.144 3.067 8.309 697 HG LEU 93 HG LEU 93 2.713 1.460 6.276 698 HD11 LEU 93 1HD1 LEU 93 -0.150 0.988 7.141 699 HD12 LEU 93 2HD1 LEU 93 0.822 0.029 5.998 700 HD13 LEU 93 3HD1 LEU 93 1.241 0.044 7.728 701 HD21 LEU 93 1HD2 LEU 93 0.137 2.609 5.491 702 HD22 LEU 93 2HD2 LEU 93 1.346 3.831 5.954 703 HD23 LEU 93 3HD2 LEU 93 1.717 2.652 4.673 704 H SER 94 H SER 94 4.120 2.697 10.172 705 HA SER 94 HA SER 94 3.123 4.261 12.043 706 HB2 SER 94 1HB SER 94 4.674 2.412 12.505 707 HB3 SER 94 2HB SER 94 6.015 3.317 11.831 708 HG SER 94 HG SER 94 6.214 4.460 13.650 709 H ASP 95 H ASP 95 6.230 5.015 10.292 710 HA ASP 95 HA ASP 95 6.600 7.472 11.456 711 HB2 ASP 95 1HB ASP 95 7.746 5.906 9.333 712 HB3 ASP 95 2HB ASP 95 7.492 7.519 8.696 713 H MET 96 H MET 96 4.744 6.401 8.559 714 HA MET 96 HA MET 96 4.167 9.058 7.743 715 HB2 MET 96 1HB MET 96 2.853 6.393 6.969 716 HB3 MET 96 2HB MET 96 2.709 7.891 6.071 717 HG2 MET 96 1HG MET 96 5.452 7.666 6.216 718 HG3 MET 96 2HG MET 96 4.998 5.973 6.205 719 HE1 MET 96 1HE MET 96 2.495 5.981 3.165 720 HE2 MET 96 2HE MET 96 3.669 4.815 3.821 721 HE3 MET 96 3HE MET 96 2.565 5.679 4.918 722 H HIS 97 H HIS 97 1.759 9.720 7.381 723 HA HIS 97 HA HIS 97 -0.183 8.607 9.082 724 HB2 HIS 97 1HB HIS 97 -0.287 10.925 10.413 725 HB3 HIS 97 2HB HIS 97 0.565 9.514 11.007 726 HD1 HIS 97 1HD HIS 97 1.369 12.626 8.904 727 HD2 HIS 97 2HD HIS 97 3.163 10.032 11.670 728 HE1 HIS 97 1HE HIS 97 3.693 13.572 9.369 729 H GLY 98 H GLY 98 -2.227 10.016 9.055 730 HA2 GLY 98 1HA GLY 98 -3.569 11.595 8.054 731 HA3 GLY 98 2HA GLY 98 -2.266 12.051 6.975 732 H THR 99 H THR 99 -4.058 11.960 5.311 733 HA THR 99 HA THR 99 -5.240 9.474 4.656 734 HB THR 99 HB THR 99 -4.797 11.909 2.859 735 HG1 THR 99 1HG THR 99 -6.075 12.911 4.362 736 HG21 THR 99 1HG2 THR 99 -7.311 10.227 3.184 737 HG22 THR 99 2HG2 THR 99 -6.840 11.266 1.818 738 HG23 THR 99 3HG2 THR 99 -6.025 9.704 2.070 739 H LEU 100 H LEU 100 -3.902 7.755 4.344 740 HA LEU 100 HA LEU 100 -1.686 8.154 2.480 741 HB2 LEU 100 1HB LEU 100 -2.164 5.664 4.077 742 HB3 LEU 100 2HB LEU 100 -0.666 6.294 3.422 743 HG LEU 100 HG LEU 100 -1.594 8.244 5.251 744 HD11 LEU 100 1HD1 LEU 100 -1.966 5.424 6.256 745 HD12 LEU 100 2HD1 LEU 100 -1.596 6.779 7.349 746 HD13 LEU 100 3HD1 LEU 100 -3.078 6.810 6.363 747 HD21 LEU 100 1HD2 LEU 100 0.435 7.132 6.581 748 HD22 LEU 100 2HD2 LEU 100 0.696 6.358 4.999 749 HD23 LEU 100 3HD2 LEU 100 0.671 8.133 5.128 750 H THR 101 H THR 101 -1.575 7.099 0.507 751 HA THR 101 HA THR 101 -4.084 5.868 -0.343 752 HB THR 101 HB THR 101 -1.789 7.350 -1.598 753 HG1 THR 101 1HG THR 101 -3.701 8.251 -2.617 754 HG21 THR 101 1HG2 THR 101 -3.105 4.942 -2.804 755 HG22 THR 101 2HG2 THR 101 -3.112 6.409 -3.813 756 HG23 THR 101 3HG2 THR 101 -1.569 5.728 -3.243 757 H PHE 102 H PHE 102 -4.226 3.761 0.204 758 HA PHE 102 HA PHE 102 -1.843 2.135 0.078 759 HB2 PHE 102 1HB PHE 102 -4.739 1.951 0.985 760 HB3 PHE 102 2HB PHE 102 -3.910 0.442 0.656 761 HD1 PHE 102 1HD PHE 102 -3.957 3.423 2.808 762 HD2 PHE 102 2HD PHE 102 -2.208 -0.383 2.131 763 HE1 PHE 102 1HE PHE 102 -2.942 3.482 5.103 764 HE2 PHE 102 2HE PHE 102 -1.192 -0.325 4.426 765 HZ PHE 102 HZ PHE 102 -1.571 1.607 5.884 766 H VAL 103 H VAL 103 -1.197 1.167 -1.781 767 HA VAL 103 HA VAL 103 -3.250 0.678 -3.812 768 HB VAL 103 HB VAL 103 -0.236 0.791 -4.039 769 HG11 VAL 103 1HG1 VAL 103 -1.779 -0.563 -5.719 770 HG12 VAL 103 2HG1 VAL 103 -2.090 1.062 -6.376 771 HG13 VAL 103 3HG1 VAL 103 -0.425 0.436 -6.302 772 HG21 VAL 103 1HG2 VAL 103 -2.235 2.893 -3.915 773 HG22 VAL 103 2HG2 VAL 103 -0.459 3.012 -3.955 774 HG23 VAL 103 3HG2 VAL 103 -1.379 2.911 -5.476 775 H LEU 104 H LEU 104 -4.156 -1.278 -3.136 776 HA LEU 104 HA LEU 104 -2.301 -3.536 -3.281 777 HB2 LEU 104 1HB LEU 104 -4.006 -4.469 -1.444 778 HB3 LEU 104 2HB LEU 104 -2.472 -3.712 -1.066 779 HG LEU 104 HG LEU 104 -4.350 -1.605 -1.232 780 HD11 LEU 104 1HD1 LEU 104 -6.044 -3.497 -1.032 781 HD12 LEU 104 2HD1 LEU 104 -5.423 -3.736 0.619 782 HD13 LEU 104 3HD1 LEU 104 -6.158 -2.180 0.161 783 HD21 LEU 104 1HD2 LEU 104 -2.447 -1.524 0.203 784 HD22 LEU 104 2HD2 LEU 104 -3.898 -1.449 1.231 785 HD23 LEU 104 3HD2 LEU 104 -2.980 -2.968 1.097 786 H ILE 105 H ILE 105 -3.420 -5.598 -3.836 787 HA ILE 105 HA ILE 105 -5.732 -4.988 -5.529 788 HB ILE 105 HB ILE 105 -3.808 -7.310 -5.683 789 HG12 ILE 105 1HG1 ILE 105 -3.867 -4.843 -7.440 790 HG13 ILE 105 2HG1 ILE 105 -2.772 -5.041 -6.087 791 HG21 ILE 105 1HG2 ILE 105 -5.695 -6.357 -7.833 792 HG22 ILE 105 2HG2 ILE 105 -4.839 -7.911 -7.695 793 HG23 ILE 105 3HG2 ILE 105 -6.192 -7.540 -6.600 794 HD11 ILE 105 1HD1 ILE 105 -1.741 -7.000 -7.093 795 HD12 ILE 105 2HD1 ILE 105 -2.980 -7.054 -8.369 796 HD13 ILE 105 3HD1 ILE 105 -1.800 -5.721 -8.330 797 HA PRO 106 HA PRO 106 -8.035 -7.312 -2.664 798 HB2 PRO 106 1HB PRO 106 -10.468 -7.104 -3.892 799 HB3 PRO 106 2HB PRO 106 -9.826 -5.873 -2.823 800 HG2 PRO 106 1HG PRO 106 -10.027 -5.845 -5.772 801 HG3 PRO 106 2HG PRO 106 -9.796 -4.498 -4.674 802 HD2 PRO 106 1HD PRO 106 -7.795 -5.742 -6.310 803 HD3 PRO 106 2HD PRO 106 -7.543 -4.473 -5.127 804 H SER 107 H SER 107 -7.631 -9.417 -2.440 805 HA SER 107 HA SER 107 -7.844 -10.990 -4.820 806 HB2 SER 107 1HB SER 107 -5.972 -11.454 -3.363 807 HB3 SER 107 2HB SER 107 -7.009 -11.600 -1.958 808 HG SER 107 HG SER 107 -7.056 -13.373 -4.252 809 H SER 108 H SER 108 -10.171 -10.813 -5.209 810 HA SER 108 HA SER 108 -11.953 -11.664 -3.178 811 HB2 SER 108 1HB SER 108 -12.184 -10.156 -5.484 812 HB3 SER 108 2HB SER 108 -12.915 -11.666 -5.991 813 HG SER 108 HG SER 108 -13.680 -9.991 -3.763 814 H GLY 109 H GLY 109 -10.252 -13.721 -3.191 815 HA2 GLY 109 1HA GLY 109 -10.628 -15.724 -5.133 816 HA3 GLY 109 2HA GLY 109 -9.995 -15.931 -3.512 817 HA PRO 110 HA PRO 110 -13.713 -17.994 -2.605 818 HB2 PRO 110 1HB PRO 110 -13.427 -18.277 0.098 819 HB3 PRO 110 2HB PRO 110 -12.664 -19.345 -1.063 820 HG2 PRO 110 1HG PRO 110 -11.445 -17.193 0.556 821 HG3 PRO 110 2HG PRO 110 -10.660 -18.525 -0.269 822 HD2 PRO 110 1HD PRO 110 -10.752 -15.789 -1.128 823 HD3 PRO 110 2HD PRO 110 -10.068 -17.142 -2.008 824 H SER 111 H SER 111 -15.709 -17.940 -1.147 825 HA SER 111 HA SER 111 -16.151 -15.381 -0.005 826 HB2 SER 111 1HB SER 111 -17.886 -14.592 -1.471 827 HB3 SER 111 2HB SER 111 -16.512 -14.982 -2.487 828 HG SER 111 HG SER 111 -18.929 -15.839 -2.888 829 H SER 112 H SER 112 -18.002 -15.412 1.402 830 HA SER 112 HA SER 112 -19.198 -18.064 1.595 831 HB2 SER 112 1HB SER 112 -18.337 -16.040 3.655 832 HB3 SER 112 2HB SER 112 -19.702 -17.070 4.038 833 HG SER 112 HG SER 112 -16.966 -17.735 3.710 834 H GLY 113 H GLY 113 -21.500 -18.213 1.949 835 HA2 GLY 113 1HA GLY 113 -23.472 -16.770 2.577 836 HA3 GLY 113 2HA GLY 113 -22.944 -15.725 1.273 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 3.466 19.427 -40.964 2 HA2 GLY 1 1HA GLY 1 5.823 20.061 -41.972 3 HA3 GLY 1 2HA GLY 1 5.484 21.534 -41.086 4 H SER 2 H SER 2 7.223 18.800 -40.827 5 HA SER 2 HA SER 2 6.894 18.785 -37.941 6 HB2 SER 2 1HB SER 2 5.792 16.757 -39.124 7 HB3 SER 2 2HB SER 2 7.418 16.237 -39.517 8 HG SER 2 HG SER 2 7.157 15.248 -37.593 9 H SER 3 H SER 3 8.920 17.548 -36.929 10 HA SER 3 HA SER 3 11.238 17.593 -38.566 11 HB2 SER 3 1HB SER 3 11.009 20.014 -38.036 12 HB3 SER 3 2HB SER 3 10.977 19.645 -36.323 13 HG SER 3 HG SER 3 13.136 18.910 -36.421 14 H GLY 4 H GLY 4 13.196 16.835 -37.283 15 HA2 GLY 4 1HA GLY 4 12.294 15.075 -35.104 16 HA3 GLY 4 2HA GLY 4 13.706 14.851 -36.117 17 H SER 5 H SER 5 13.331 15.061 -33.082 18 HA SER 5 HA SER 5 14.207 16.052 -31.342 19 HB2 SER 5 1HB SER 5 16.247 15.240 -33.072 20 HB3 SER 5 2HB SER 5 16.731 16.867 -32.640 21 HG SER 5 HG SER 5 15.938 15.758 -30.345 22 H SER 6 H SER 6 12.818 17.915 -31.178 23 HA SER 6 HA SER 6 14.132 20.327 -31.148 24 HB2 SER 6 1HB SER 6 13.784 19.926 -33.719 25 HB3 SER 6 2HB SER 6 12.106 20.320 -33.405 26 HG SER 6 HG SER 6 12.944 22.348 -32.374 27 H GLY 7 H GLY 7 10.948 18.732 -31.811 28 HA2 GLY 7 1HA GLY 7 9.147 20.479 -30.840 29 HA3 GLY 7 2HA GLY 7 9.049 18.749 -30.580 30 HA PRO 8 HA PRO 8 10.000 21.099 -26.628 31 HB2 PRO 8 1HB PRO 8 7.576 22.015 -25.760 32 HB3 PRO 8 2HB PRO 8 8.743 23.028 -26.587 33 HG2 PRO 8 1HG PRO 8 6.233 21.865 -27.627 34 HG3 PRO 8 2HG PRO 8 7.177 23.193 -28.271 35 HD2 PRO 8 1HD PRO 8 7.089 20.507 -29.272 36 HD3 PRO 8 2HD PRO 8 8.119 21.805 -29.843 37 H ILE 9 H ILE 9 10.593 19.217 -25.668 38 HA ILE 9 HA ILE 9 8.556 17.265 -25.199 39 HB ILE 9 HB ILE 9 11.416 17.418 -24.239 40 HG12 ILE 9 1HG1 ILE 9 10.840 15.522 -26.372 41 HG13 ILE 9 2HG1 ILE 9 10.466 17.163 -26.861 42 HG21 ILE 9 1HG2 ILE 9 11.079 14.878 -24.139 43 HG22 ILE 9 2HG2 ILE 9 10.356 15.865 -22.846 44 HG23 ILE 9 3HG2 ILE 9 9.336 15.236 -24.162 45 HD11 ILE 9 1HD1 ILE 9 12.791 17.786 -25.826 46 HD12 ILE 9 2HD1 ILE 9 13.116 16.038 -25.910 47 HD13 ILE 9 3HD1 ILE 9 12.760 16.950 -27.397 48 H THR 10 H THR 10 7.310 16.975 -23.405 49 HA THR 10 HA THR 10 7.923 18.725 -21.113 50 HB THR 10 HB THR 10 5.203 17.791 -22.173 51 HG1 THR 10 1HG THR 10 6.055 19.369 -23.587 52 HG21 THR 10 1HG2 THR 10 6.034 19.036 -19.679 53 HG22 THR 10 2HG2 THR 10 5.123 20.220 -20.645 54 HG23 THR 10 3HG2 THR 10 4.383 18.657 -20.225 55 H ASP 11 H ASP 11 8.204 15.621 -22.159 56 HA ASP 11 HA ASP 11 8.309 13.677 -21.205 57 HB2 ASP 11 1HB ASP 11 8.440 15.151 -18.536 58 HB3 ASP 11 2HB ASP 11 9.075 13.554 -18.878 59 H GLU 12 H GLU 12 6.264 12.681 -21.438 60 HA GLU 12 HA GLU 12 4.051 13.586 -19.927 61 HB2 GLU 12 1HB GLU 12 4.332 12.245 -22.296 62 HB3 GLU 12 2HB GLU 12 3.937 10.904 -21.238 63 HG2 GLU 12 1HG GLU 12 1.852 11.924 -20.555 64 HG3 GLU 12 2HG GLU 12 2.296 13.471 -21.249 65 H ARG 13 H ARG 13 5.744 13.183 -17.934 66 HA ARG 13 HA ARG 13 4.634 10.879 -16.652 67 HB2 ARG 13 1HB ARG 13 6.881 10.050 -15.882 68 HB3 ARG 13 2HB ARG 13 6.677 9.910 -17.617 69 HG2 ARG 13 1HG ARG 13 7.766 12.391 -17.553 70 HG3 ARG 13 2HG ARG 13 8.438 11.783 -16.053 71 HD2 ARG 13 1HD ARG 13 8.616 9.929 -18.403 72 HD3 ARG 13 2HD ARG 13 9.600 11.376 -18.498 73 HE ARG 13 HE ARG 13 9.832 10.058 -15.905 74 HH11 ARG 13 2HH2 ARG 13 11.005 10.044 -19.223 75 HH12 ARG 13 1HH2 ARG 13 12.508 9.280 -18.823 76 HH21 ARG 13 2HH1 ARG 13 11.814 9.051 -15.378 77 HH22 ARG 13 1HH1 ARG 13 12.971 8.712 -16.621 78 H VAL 14 H VAL 14 3.616 12.810 -15.560 79 HA VAL 14 HA VAL 14 5.180 13.542 -13.259 80 HB VAL 14 HB VAL 14 4.160 15.653 -15.170 81 HG11 VAL 14 1HG1 VAL 14 4.791 15.713 -12.327 82 HG12 VAL 14 2HG1 VAL 14 5.808 16.843 -13.254 83 HG13 VAL 14 3HG1 VAL 14 4.034 16.954 -13.355 84 HG21 VAL 14 1HG2 VAL 14 6.974 14.772 -14.458 85 HG22 VAL 14 2HG2 VAL 14 6.186 14.715 -16.053 86 HG23 VAL 14 3HG2 VAL 14 6.588 16.284 -15.315 87 H TYR 15 H TYR 15 2.725 11.975 -14.108 88 HA TYR 15 HA TYR 15 0.695 13.554 -12.687 89 HB2 TYR 15 1HB TYR 15 -0.616 11.424 -13.778 90 HB3 TYR 15 2HB TYR 15 -0.266 12.850 -14.735 91 HD1 TYR 15 2HD TYR 15 1.630 9.772 -13.688 92 HD2 TYR 15 1HD TYR 15 0.488 12.392 -16.871 93 HE1 TYR 15 2HE TYR 15 2.940 8.349 -15.338 94 HE2 TYR 15 1HE TYR 15 1.802 10.961 -18.511 95 HH TYR 15 HH TYR 15 3.491 8.037 -17.399 96 H GLU 16 H GLU 16 -0.929 12.041 -11.451 97 HA GLU 16 HA GLU 16 0.621 10.745 -9.491 98 HB2 GLU 16 1HB GLU 16 -1.715 12.015 -9.364 99 HB3 GLU 16 2HB GLU 16 -2.376 10.423 -9.682 100 HG2 GLU 16 1HG GLU 16 -0.531 9.820 -7.723 101 HG3 GLU 16 2HG GLU 16 -0.981 11.446 -7.249 102 H SER 17 H SER 17 -1.699 8.664 -9.138 103 HA SER 17 HA SER 17 -0.336 6.501 -10.065 104 HB2 SER 17 1HB SER 17 -2.269 5.208 -9.472 105 HB3 SER 17 2HB SER 17 -2.227 6.565 -8.364 106 HG SER 17 HG SER 17 -4.368 6.205 -9.233 107 H ILE 18 H ILE 18 -0.838 4.944 -11.829 108 HA ILE 18 HA ILE 18 -1.783 6.383 -14.194 109 HB ILE 18 HB ILE 18 -0.155 3.848 -13.988 110 HG12 ILE 18 1HG1 ILE 18 1.263 5.480 -13.108 111 HG13 ILE 18 2HG1 ILE 18 1.702 5.413 -14.803 112 HG21 ILE 18 1HG2 ILE 18 -1.241 5.449 -16.262 113 HG22 ILE 18 2HG2 ILE 18 0.375 4.723 -16.433 114 HG23 ILE 18 3HG2 ILE 18 -1.032 3.690 -16.088 115 HD11 ILE 18 1HD1 ILE 18 0.210 7.378 -15.257 116 HD12 ILE 18 2HD1 ILE 18 -0.159 7.464 -13.517 117 HD13 ILE 18 3HD1 ILE 18 1.501 7.757 -14.091 118 H GLY 19 H GLY 19 -2.383 3.610 -12.054 119 HA2 GLY 19 1HA GLY 19 -4.459 2.625 -11.789 120 HA3 GLY 19 2HA GLY 19 -4.978 3.250 -13.342 121 H HIS 20 H HIS 20 -3.602 2.350 -15.314 122 HA HIS 20 HA HIS 20 -3.838 -0.492 -15.131 123 HB2 HIS 20 1HB HIS 20 -3.295 -0.424 -17.543 124 HB3 HIS 20 2HB HIS 20 -4.650 0.596 -17.104 125 HD1 HIS 20 1HD HIS 20 -4.412 3.144 -17.452 126 HD2 HIS 20 2HD HIS 20 -0.923 0.985 -18.324 127 HE1 HIS 20 1HE HIS 20 -2.844 4.769 -18.640 128 H TYR 21 H TYR 21 -2.087 -0.383 -13.304 129 HA TYR 21 HA TYR 21 0.562 0.163 -13.878 130 HB2 TYR 21 1HB TYR 21 -1.055 -1.669 -12.052 131 HB3 TYR 21 2HB TYR 21 0.687 -1.857 -12.050 132 HD1 TYR 21 1HD TYR 21 -1.074 1.387 -12.475 133 HD2 TYR 21 2HD TYR 21 1.110 -1.149 -9.810 134 HE1 TYR 21 1HE TYR 21 -0.866 3.300 -10.814 135 HE2 TYR 21 2HE TYR 21 1.311 0.773 -8.158 136 HH TYR 21 HH TYR 21 -0.321 3.015 -7.798 137 H GLY 22 H GLY 22 0.999 -0.591 -16.058 138 HA2 GLY 22 1HA GLY 22 1.555 -2.113 -17.638 139 HA3 GLY 22 2HA GLY 22 2.463 -2.835 -16.325 140 H GLY 23 H GLY 23 -0.447 -3.020 -18.322 141 HA2 GLY 23 1HA GLY 23 -2.144 -4.529 -18.399 142 HA3 GLY 23 2HA GLY 23 -0.810 -5.664 -18.375 143 H GLU 24 H GLU 24 -2.881 -3.688 -16.142 144 HA GLU 24 HA GLU 24 -3.691 -5.847 -14.665 145 HB2 GLU 24 1HB GLU 24 -1.049 -4.786 -13.854 146 HB3 GLU 24 2HB GLU 24 -2.204 -4.847 -12.537 147 HG2 GLU 24 1HG GLU 24 -2.187 -7.133 -12.464 148 HG3 GLU 24 2HG GLU 24 -2.277 -7.283 -14.208 149 H THR 25 H THR 25 -4.682 -5.058 -12.444 150 HA THR 25 HA THR 25 -5.382 -2.211 -12.654 151 HB THR 25 HB THR 25 -7.743 -3.269 -11.860 152 HG1 THR 25 1HG THR 25 -7.838 -5.417 -12.511 153 HG21 THR 25 1HG2 THR 25 -8.536 -3.133 -14.119 154 HG22 THR 25 2HG2 THR 25 -7.173 -1.988 -14.074 155 HG23 THR 25 3HG2 THR 25 -6.954 -3.606 -14.785 156 H VAL 26 H VAL 26 -4.928 -1.141 -10.843 157 HA VAL 26 HA VAL 26 -4.807 -2.740 -8.381 158 HB VAL 26 HB VAL 26 -3.308 -0.778 -7.655 159 HG11 VAL 26 1HG1 VAL 26 -2.170 -2.768 -7.802 160 HG12 VAL 26 2HG1 VAL 26 -2.628 -3.037 -9.500 161 HG13 VAL 26 3HG1 VAL 26 -1.359 -1.856 -9.097 162 HG21 VAL 26 1HG2 VAL 26 -2.522 -0.451 -10.501 163 HG22 VAL 26 2HG2 VAL 26 -4.027 0.357 -10.001 164 HG23 VAL 26 3HG2 VAL 26 -2.501 0.718 -9.160 165 H LYS 27 H LYS 27 -5.920 -2.019 -6.555 166 HA LYS 27 HA LYS 27 -7.839 0.111 -7.120 167 HB2 LYS 27 1HB LYS 27 -8.406 -2.342 -6.339 168 HB3 LYS 27 2HB LYS 27 -8.006 -1.724 -4.749 169 HG2 LYS 27 1HG LYS 27 -9.599 0.311 -5.576 170 HG3 LYS 27 2HG LYS 27 -10.275 -0.963 -6.571 171 HD2 LYS 27 1HD LYS 27 -10.890 -2.289 -4.673 172 HD3 LYS 27 2HD LYS 27 -9.831 -1.399 -3.596 173 HE2 LYS 27 1HE LYS 27 -11.336 0.338 -3.316 174 HE3 LYS 27 2HE LYS 27 -11.922 0.244 -4.965 175 HZ1 LYS 27 1HZ LYS 27 -13.121 -0.786 -2.741 176 HZ2 LYS 27 2HZ LYS 27 -13.572 -1.025 -4.292 177 HZ3 LYS 27 3HZ LYS 27 -12.581 -2.094 -3.556 178 H ILE 28 H ILE 28 -7.154 2.100 -6.527 179 HA ILE 28 HA ILE 28 -5.230 2.363 -4.408 180 HB ILE 28 HB ILE 28 -6.613 4.301 -6.253 181 HG12 ILE 28 1HG1 ILE 28 -3.961 4.555 -6.710 182 HG13 ILE 28 2HG1 ILE 28 -4.004 2.878 -6.204 183 HG21 ILE 28 1HG2 ILE 28 -5.216 4.820 -3.728 184 HG22 ILE 28 2HG2 ILE 28 -4.545 5.707 -5.117 185 HG23 ILE 28 3HG2 ILE 28 -6.268 5.873 -4.703 186 HD11 ILE 28 1HD1 ILE 28 -4.723 3.939 -8.748 187 HD12 ILE 28 2HD1 ILE 28 -4.870 2.252 -8.198 188 HD13 ILE 28 3HD1 ILE 28 -6.234 3.378 -7.994 189 H VAL 29 H VAL 29 -5.750 2.418 -2.295 190 HA VAL 29 HA VAL 29 -8.414 3.465 -1.626 191 HB VAL 29 HB VAL 29 -7.689 1.867 0.479 192 HG11 VAL 29 1HG1 VAL 29 -9.418 1.384 -1.950 193 HG12 VAL 29 2HG1 VAL 29 -9.308 0.194 -0.632 194 HG13 VAL 29 3HG1 VAL 29 -9.904 1.837 -0.299 195 HG21 VAL 29 1HG2 VAL 29 -6.920 0.349 -2.033 196 HG22 VAL 29 2HG2 VAL 29 -5.750 1.024 -0.873 197 HG23 VAL 29 3HG2 VAL 29 -6.889 -0.242 -0.354 198 H ARG 30 H ARG 30 -8.360 5.331 -0.492 199 HA ARG 30 HA ARG 30 -5.830 5.969 0.771 200 HB2 ARG 30 1HB ARG 30 -8.182 7.695 -0.133 201 HB3 ARG 30 2HB ARG 30 -6.875 8.340 0.839 202 HG2 ARG 30 1HG ARG 30 -5.226 7.655 -0.908 203 HG3 ARG 30 2HG ARG 30 -6.522 6.983 -1.877 204 HD2 ARG 30 1HD ARG 30 -7.530 9.488 -1.517 205 HD3 ARG 30 2HD ARG 30 -5.824 9.862 -1.370 206 HE ARG 30 HE ARG 30 -5.834 8.319 -3.625 207 HH11 ARG 30 2HH2 ARG 30 -7.838 11.043 -2.655 208 HH12 ARG 30 1HH2 ARG 30 -8.122 11.577 -4.278 209 HH21 ARG 30 2HH1 ARG 30 -6.207 9.023 -5.767 210 HH22 ARG 30 1HH1 ARG 30 -7.188 10.420 -6.060 211 H ILE 31 H ILE 31 -5.706 5.819 2.990 212 HA ILE 31 HA ILE 31 -8.243 5.997 4.463 213 HB ILE 31 HB ILE 31 -5.845 4.225 4.885 214 HG12 ILE 31 1HG1 ILE 31 -8.782 3.521 4.658 215 HG13 ILE 31 2HG1 ILE 31 -7.689 3.549 3.289 216 HG21 ILE 31 1HG2 ILE 31 -7.807 5.253 6.854 217 HG22 ILE 31 2HG2 ILE 31 -7.491 3.501 6.892 218 HG23 ILE 31 3HG2 ILE 31 -6.146 4.652 7.080 219 HD11 ILE 31 1HD1 ILE 31 -6.809 1.535 3.846 220 HD12 ILE 31 2HD1 ILE 31 -6.505 2.065 5.518 221 HD13 ILE 31 3HD1 ILE 31 -8.096 1.402 5.069 222 H GLU 32 H GLU 32 -8.274 7.238 6.372 223 HA GLU 32 HA GLU 32 -6.072 9.108 6.485 224 HB2 GLU 32 1HB GLU 32 -8.889 9.137 7.637 225 HB3 GLU 32 2HB GLU 32 -7.697 10.352 8.053 226 HG2 GLU 32 1HG GLU 32 -7.451 10.417 5.336 227 HG3 GLU 32 2HG GLU 32 -9.120 9.894 5.451 228 H LYS 33 H LYS 33 -4.415 8.093 7.644 229 HA LYS 33 HA LYS 33 -5.158 6.962 10.238 230 HB2 LYS 33 1HB LYS 33 -3.822 5.665 8.447 231 HB3 LYS 33 2HB LYS 33 -2.475 6.698 8.881 232 HG2 LYS 33 1HG LYS 33 -3.416 5.912 11.379 233 HG3 LYS 33 2HG LYS 33 -3.725 4.482 10.413 234 HD2 LYS 33 1HD LYS 33 -1.128 5.371 9.647 235 HD3 LYS 33 2HD LYS 33 -1.177 5.519 11.392 236 HE2 LYS 33 1HE LYS 33 -2.363 3.060 11.092 237 HE3 LYS 33 2HE LYS 33 -1.311 3.062 9.690 238 HZ1 LYS 33 1HZ LYS 33 0.184 4.041 11.766 239 HZ2 LYS 33 2HZ LYS 33 -0.623 2.763 12.386 240 HZ3 LYS 33 3HZ LYS 33 0.317 2.572 11.064 241 H ALA 34 H ALA 34 -5.221 8.519 11.786 242 HA ALA 34 HA ALA 34 -3.790 10.912 11.638 243 HB1 ALA 34 1HB ALA 34 -4.716 9.629 14.217 244 HB2 ALA 34 2HB ALA 34 -4.722 11.348 13.755 245 HB3 ALA 34 3HB ALA 34 -5.888 10.224 13.016 246 H ARG 35 H ARG 35 -2.051 11.649 13.155 247 HA ARG 35 HA ARG 35 0.080 9.844 13.008 248 HB2 ARG 35 1HB ARG 35 0.205 12.400 12.913 249 HB3 ARG 35 2HB ARG 35 -0.076 12.425 14.642 250 HG2 ARG 35 1HG ARG 35 2.026 11.551 15.149 251 HG3 ARG 35 2HG ARG 35 2.129 10.634 13.660 252 HD2 ARG 35 1HD ARG 35 2.502 12.743 12.373 253 HD3 ARG 35 2HD ARG 35 2.368 13.677 13.849 254 HE ARG 35 HE ARG 35 4.389 11.564 14.014 255 HH11 ARG 35 2HH2 ARG 35 3.772 14.885 13.027 256 HH12 ARG 35 1HH2 ARG 35 5.432 15.364 13.146 257 HH21 ARG 35 2HH1 ARG 35 6.580 12.196 14.171 258 HH22 ARG 35 1HH1 ARG 35 7.040 13.824 13.801 259 H ASP 36 H ASP 36 -2.530 9.992 15.128 260 HA ASP 36 HA ASP 36 -0.928 8.767 17.233 261 HB2 ASP 36 1HB ASP 36 -2.460 9.689 18.896 262 HB3 ASP 36 2HB ASP 36 -1.847 10.999 17.907 263 H ILE 37 H ILE 37 -2.810 8.041 14.722 264 HA ILE 37 HA ILE 37 -4.657 6.298 16.185 265 HB ILE 37 HB ILE 37 -4.724 7.690 13.563 266 HG12 ILE 37 1HG1 ILE 37 -5.976 8.224 15.811 267 HG13 ILE 37 2HG1 ILE 37 -6.771 8.436 14.264 268 HG21 ILE 37 1HG2 ILE 37 -4.833 5.397 12.815 269 HG22 ILE 37 2HG2 ILE 37 -6.064 5.015 14.043 270 HG23 ILE 37 3HG2 ILE 37 -6.451 6.132 12.713 271 HD11 ILE 37 1HD1 ILE 37 -7.023 6.003 16.091 272 HD12 ILE 37 2HD1 ILE 37 -8.269 7.240 15.797 273 HD13 ILE 37 3HD1 ILE 37 -7.776 6.144 14.484 274 HA PRO 38 HA PRO 38 -2.033 3.028 15.053 275 HB2 PRO 38 1HB PRO 38 -3.516 0.972 16.075 276 HB3 PRO 38 2HB PRO 38 -2.420 1.937 17.044 277 HG2 PRO 38 1HG PRO 38 -5.374 2.018 16.950 278 HG3 PRO 38 2HG PRO 38 -4.297 2.646 18.182 279 HD2 PRO 38 1HD PRO 38 -5.676 4.161 16.174 280 HD3 PRO 38 2HD PRO 38 -4.511 4.772 17.331 281 H LEU 39 H LEU 39 -1.899 1.051 13.731 282 HA LEU 39 HA LEU 39 -3.585 1.477 11.447 283 HB2 LEU 39 1HB LEU 39 -1.113 0.968 11.418 284 HB3 LEU 39 2HB LEU 39 -1.514 -0.670 11.896 285 HG LEU 39 HG LEU 39 -2.445 -1.205 9.849 286 HD11 LEU 39 1HD1 LEU 39 -4.093 0.563 9.725 287 HD12 LEU 39 2HD1 LEU 39 -2.835 1.750 9.306 288 HD13 LEU 39 3HD1 LEU 39 -3.228 0.433 8.175 289 HD21 LEU 39 1HD2 LEU 39 -0.046 -0.837 9.606 290 HD22 LEU 39 2HD2 LEU 39 -0.907 -0.439 8.100 291 HD23 LEU 39 3HD2 LEU 39 -0.337 0.864 9.170 292 H GLY 40 H GLY 40 -2.910 -1.300 13.695 293 HA2 GLY 40 1HA GLY 40 -4.248 -2.958 14.414 294 HA3 GLY 40 2HA GLY 40 -5.632 -1.977 13.972 295 H ALA 41 H ALA 41 -2.993 -3.139 11.796 296 HA ALA 41 HA ALA 41 -4.818 -5.078 10.629 297 HB1 ALA 41 1HB ALA 41 -4.359 -4.140 8.343 298 HB2 ALA 41 2HB ALA 41 -5.337 -3.067 9.373 299 HB3 ALA 41 3HB ALA 41 -3.608 -2.727 9.122 300 H THR 42 H THR 42 -3.663 -6.935 10.599 301 HA THR 42 HA THR 42 -0.766 -6.774 10.590 302 HB THR 42 HB THR 42 -2.458 -9.301 10.628 303 HG1 THR 42 1HG THR 42 -1.919 -7.259 12.665 304 HG21 THR 42 1HG2 THR 42 0.219 -9.060 10.843 305 HG22 THR 42 2HG2 THR 42 -0.199 -8.619 12.516 306 HG23 THR 42 3HG2 THR 42 -0.680 -10.205 11.866 307 H VAL 43 H VAL 43 0.589 -7.962 9.107 308 HA VAL 43 HA VAL 43 -0.684 -8.761 6.626 309 HB VAL 43 HB VAL 43 0.518 -7.289 5.244 310 HG11 VAL 43 1HG1 VAL 43 -0.449 -5.621 7.590 311 HG12 VAL 43 2HG1 VAL 43 -0.285 -5.091 5.899 312 HG13 VAL 43 3HG1 VAL 43 -1.494 -6.324 6.332 313 HG21 VAL 43 1HG2 VAL 43 1.932 -5.473 6.800 314 HG22 VAL 43 2HG2 VAL 43 2.291 -7.043 7.558 315 HG23 VAL 43 3HG2 VAL 43 2.624 -6.793 5.827 316 H ARG 44 H ARG 44 0.608 -10.230 5.407 317 HA ARG 44 HA ARG 44 2.774 -11.291 7.009 318 HB2 ARG 44 1HB ARG 44 2.493 -13.333 5.520 319 HB3 ARG 44 2HB ARG 44 1.070 -12.940 6.464 320 HG2 ARG 44 1HG ARG 44 0.946 -11.470 3.970 321 HG3 ARG 44 2HG ARG 44 1.296 -13.149 3.606 322 HD2 ARG 44 1HD ARG 44 -0.646 -13.646 5.358 323 HD3 ARG 44 2HD ARG 44 -1.111 -11.987 5.036 324 HE ARG 44 HE ARG 44 -1.927 -12.674 2.964 325 HH11 ARG 44 2HH2 ARG 44 0.471 -15.008 4.050 326 HH12 ARG 44 1HH2 ARG 44 0.217 -16.083 2.715 327 HH21 ARG 44 2HH1 ARG 44 -2.263 -14.091 1.203 328 HH22 ARG 44 1HH1 ARG 44 -1.349 -15.557 1.085 329 H ASN 45 H ASN 45 4.564 -12.436 5.501 330 HA ASN 45 HA ASN 45 5.285 -10.408 3.542 331 HB2 ASN 45 1HB ASN 45 6.731 -11.483 5.711 332 HB3 ASN 45 2HB ASN 45 7.396 -12.331 4.329 333 HD21 ASN 45 1HD2 ASN 45 7.049 -10.393 2.353 334 HD22 ASN 45 2HD2 ASN 45 8.112 -9.057 2.647 335 H GLU 46 H GLU 46 4.717 -11.169 1.486 336 HA GLU 46 HA GLU 46 4.763 -14.005 1.028 337 HB2 GLU 46 1HB GLU 46 3.279 -11.783 0.012 338 HB3 GLU 46 2HB GLU 46 4.160 -12.453 -1.346 339 HG2 GLU 46 1HG GLU 46 2.403 -14.064 0.566 340 HG3 GLU 46 2HG GLU 46 1.921 -13.533 -1.033 341 H MET 47 H MET 47 5.742 -14.795 -1.144 342 HA MET 47 HA MET 47 8.236 -14.966 -1.283 343 HB2 MET 47 1HB MET 47 6.480 -14.058 -3.621 344 HB3 MET 47 2HB MET 47 8.129 -14.595 -3.872 345 HG2 MET 47 1HG MET 47 6.559 -16.455 -2.180 346 HG3 MET 47 2HG MET 47 5.876 -16.249 -3.780 347 HE1 MET 47 1HE MET 47 6.830 -17.216 -5.916 348 HE2 MET 47 2HE MET 47 7.941 -15.829 -5.814 349 HE3 MET 47 3HE MET 47 8.573 -17.450 -6.190 350 H ASP 48 H ASP 48 6.789 -11.979 -2.788 351 HA ASP 48 HA ASP 48 9.020 -10.493 -1.758 352 HB2 ASP 48 1HB ASP 48 8.330 -10.376 -4.727 353 HB3 ASP 48 2HB ASP 48 9.646 -9.544 -3.922 354 H SER 49 H SER 49 5.945 -10.807 -1.594 355 HA SER 49 HA SER 49 5.367 -8.007 -2.127 356 HB2 SER 49 1HB SER 49 3.579 -10.395 -2.752 357 HB3 SER 49 2HB SER 49 2.994 -8.744 -2.716 358 HG SER 49 HG SER 49 3.917 -9.880 -4.830 359 H VAL 50 H VAL 50 3.665 -7.103 -0.683 360 HA VAL 50 HA VAL 50 3.556 -8.617 1.827 361 HB VAL 50 HB VAL 50 3.057 -5.669 1.470 362 HG11 VAL 50 1HG1 VAL 50 4.354 -6.655 3.915 363 HG12 VAL 50 2HG1 VAL 50 2.950 -5.580 3.713 364 HG13 VAL 50 3HG1 VAL 50 2.737 -7.345 3.638 365 HG21 VAL 50 1HG2 VAL 50 5.727 -7.051 1.889 366 HG22 VAL 50 2HG2 VAL 50 5.241 -6.047 0.503 367 HG23 VAL 50 3HG2 VAL 50 5.440 -5.309 2.110 368 H ILE 51 H ILE 51 1.674 -9.681 2.136 369 HA ILE 51 HA ILE 51 -0.746 -8.397 1.074 370 HB ILE 51 HB ILE 51 0.014 -11.300 1.328 371 HG12 ILE 51 1HG1 ILE 51 -0.568 -11.309 -1.095 372 HG13 ILE 51 2HG1 ILE 51 -0.820 -9.576 -1.024 373 HG21 ILE 51 1HG2 ILE 51 -2.219 -11.935 0.746 374 HG22 ILE 51 2HG2 ILE 51 -2.296 -10.900 2.192 375 HG23 ILE 51 3HG2 ILE 51 -2.724 -10.234 0.598 376 HD11 ILE 51 1HD1 ILE 51 1.581 -10.743 -1.637 377 HD12 ILE 51 2HD1 ILE 51 1.427 -9.113 -0.939 378 HD13 ILE 51 3HD1 ILE 51 1.774 -10.504 0.116 379 H ILE 52 H ILE 52 -2.695 -8.575 2.389 380 HA ILE 52 HA ILE 52 -2.153 -8.073 5.100 381 HB ILE 52 HB ILE 52 -4.784 -8.691 3.751 382 HG12 ILE 52 1HG1 ILE 52 -3.663 -6.909 2.554 383 HG13 ILE 52 2HG1 ILE 52 -5.004 -6.258 3.475 384 HG21 ILE 52 1HG2 ILE 52 -4.792 -6.790 5.962 385 HG22 ILE 52 2HG2 ILE 52 -5.816 -8.215 5.666 386 HG23 ILE 52 3HG2 ILE 52 -4.231 -8.407 6.452 387 HD11 ILE 52 1HD1 ILE 52 -3.459 -5.512 5.262 388 HD12 ILE 52 2HD1 ILE 52 -2.087 -6.220 4.377 389 HD13 ILE 52 3HD1 ILE 52 -2.972 -4.838 3.688 390 H SER 53 H SER 53 -2.513 -9.318 6.973 391 HA SER 53 HA SER 53 -2.810 -12.160 6.387 392 HB2 SER 53 1HB SER 53 -0.898 -12.493 7.537 393 HB3 SER 53 2HB SER 53 -0.734 -10.762 7.756 394 HG SER 53 HG SER 53 -0.967 -11.228 9.837 395 H ARG 54 H ARG 54 -3.540 -9.449 8.651 396 HA ARG 54 HA ARG 54 -6.029 -10.690 9.240 397 HB2 ARG 54 1HB ARG 54 -4.489 -11.761 10.917 398 HB3 ARG 54 2HB ARG 54 -4.030 -10.174 11.501 399 HG2 ARG 54 1HG ARG 54 -6.311 -9.713 12.257 400 HG3 ARG 54 2HG ARG 54 -6.918 -11.162 11.480 401 HD2 ARG 54 1HD ARG 54 -4.836 -12.102 13.142 402 HD3 ARG 54 2HD ARG 54 -5.619 -10.865 14.104 403 HE ARG 54 HE ARG 54 -7.612 -12.540 12.864 404 HH11 ARG 54 2HH2 ARG 54 -5.236 -12.545 15.459 405 HH12 ARG 54 1HH2 ARG 54 -6.092 -13.711 16.413 406 HH21 ARG 54 2HH1 ARG 54 -8.742 -14.077 14.122 407 HH22 ARG 54 1HH1 ARG 54 -8.100 -14.588 15.647 408 H ILE 55 H ILE 55 -7.415 -9.171 10.650 409 HA ILE 55 HA ILE 55 -6.434 -6.413 10.415 410 HB ILE 55 HB ILE 55 -9.166 -7.510 9.758 411 HG12 ILE 55 1HG1 ILE 55 -7.656 -7.828 7.935 412 HG13 ILE 55 2HG1 ILE 55 -8.697 -6.475 7.539 413 HG21 ILE 55 1HG2 ILE 55 -10.108 -5.490 9.952 414 HG22 ILE 55 2HG2 ILE 55 -8.728 -5.114 11.011 415 HG23 ILE 55 3HG2 ILE 55 -8.684 -4.651 9.293 416 HD11 ILE 55 1HD1 ILE 55 -6.632 -5.166 8.808 417 HD12 ILE 55 2HD1 ILE 55 -5.769 -6.524 8.047 418 HD13 ILE 55 3HD1 ILE 55 -6.733 -5.409 7.048 419 H VAL 56 H VAL 56 -6.207 -5.494 12.375 420 HA VAL 56 HA VAL 56 -7.539 -6.730 14.625 421 HB VAL 56 HB VAL 56 -5.653 -4.371 14.552 422 HG11 VAL 56 1HG1 VAL 56 -7.074 -4.907 16.635 423 HG12 VAL 56 2HG1 VAL 56 -6.042 -6.347 16.805 424 HG13 VAL 56 3HG1 VAL 56 -5.316 -4.722 16.851 425 HG21 VAL 56 1HG2 VAL 56 -5.131 -7.125 13.895 426 HG22 VAL 56 2HG2 VAL 56 -4.008 -5.745 13.937 427 HG23 VAL 56 3HG2 VAL 56 -4.293 -6.705 15.408 428 H LYS 57 H LYS 57 -9.259 -5.883 15.753 429 HA LYS 57 HA LYS 57 -10.762 -3.858 14.455 430 HB2 LYS 57 1HB LYS 57 -11.792 -5.770 15.602 431 HB3 LYS 57 2HB LYS 57 -11.148 -5.222 17.136 432 HG2 LYS 57 1HG LYS 57 -12.572 -3.049 15.782 433 HG3 LYS 57 2HG LYS 57 -13.605 -4.455 15.944 434 HD2 LYS 57 1HD LYS 57 -13.950 -3.910 18.116 435 HD3 LYS 57 2HD LYS 57 -12.258 -4.233 18.438 436 HE2 LYS 57 1HE LYS 57 -12.803 -1.947 19.160 437 HE3 LYS 57 2HE LYS 57 -11.685 -1.879 17.812 438 HZ1 LYS 57 1HZ LYS 57 -13.994 -1.845 16.539 439 HZ2 LYS 57 2HZ LYS 57 -14.446 -1.098 17.920 440 HZ3 LYS 57 3HZ LYS 57 -13.223 -0.488 17.024 441 H GLY 58 H GLY 58 -11.263 -1.732 15.178 442 HA2 GLY 58 1HA GLY 58 -11.033 0.113 16.550 443 HA3 GLY 58 2HA GLY 58 -9.765 -0.690 17.455 444 H GLY 59 H GLY 59 -8.894 -1.413 14.367 445 HA2 GLY 59 1HA GLY 59 -6.915 0.705 14.294 446 HA3 GLY 59 2HA GLY 59 -7.005 -0.718 13.275 447 H ALA 60 H ALA 60 -6.437 1.798 12.160 448 HA ALA 60 HA ALA 60 -8.736 3.145 11.257 449 HB1 ALA 60 1HB ALA 60 -6.860 4.458 11.071 450 HB2 ALA 60 2HB ALA 60 -5.807 3.086 10.648 451 HB3 ALA 60 3HB ALA 60 -6.881 3.795 9.419 452 H ALA 61 H ALA 61 -6.676 0.515 9.876 453 HA ALA 61 HA ALA 61 -7.752 0.347 7.379 454 HB1 ALA 61 1HB ALA 61 -7.376 -2.303 8.454 455 HB2 ALA 61 2HB ALA 61 -6.322 -1.384 7.353 456 HB3 ALA 61 3HB ALA 61 -6.127 -1.221 9.115 457 H GLU 62 H GLU 62 -8.924 -1.366 10.367 458 HA GLU 62 HA GLU 62 -11.091 -2.536 9.158 459 HB2 GLU 62 1HB GLU 62 -10.524 -3.357 11.293 460 HB3 GLU 62 2HB GLU 62 -10.425 -1.756 12.001 461 HG2 GLU 62 1HG GLU 62 -12.756 -1.551 12.227 462 HG3 GLU 62 2HG GLU 62 -13.092 -2.662 10.914 463 H LYS 63 H LYS 63 -11.088 0.444 11.257 464 HA LYS 63 HA LYS 63 -13.641 1.208 11.019 465 HB2 LYS 63 1HB LYS 63 -11.065 2.592 11.390 466 HB3 LYS 63 2HB LYS 63 -12.346 3.621 10.781 467 HG2 LYS 63 1HG LYS 63 -13.449 3.600 12.774 468 HG3 LYS 63 2HG LYS 63 -13.338 1.856 12.907 469 HD2 LYS 63 1HD LYS 63 -10.812 2.290 13.519 470 HD3 LYS 63 2HD LYS 63 -11.323 3.941 13.807 471 HE2 LYS 63 1HE LYS 63 -13.275 2.647 15.201 472 HE3 LYS 63 2HE LYS 63 -12.006 1.446 15.332 473 HZ1 LYS 63 1HZ LYS 63 -12.023 4.182 16.316 474 HZ2 LYS 63 2HZ LYS 63 -11.577 2.811 17.084 475 HZ3 LYS 63 3HZ LYS 63 -10.590 3.480 15.968 476 H SER 64 H SER 64 -11.109 2.480 8.738 477 HA SER 64 HA SER 64 -12.867 3.548 6.967 478 HB2 SER 64 1HB SER 64 -10.466 2.300 5.735 479 HB3 SER 64 2HB SER 64 -11.006 3.967 5.690 480 HG SER 64 HG SER 64 -9.271 2.680 7.501 481 H GLY 65 H GLY 65 -11.311 0.260 6.860 482 HA2 GLY 65 1HA GLY 65 -12.284 -1.701 6.181 483 HA3 GLY 65 2HA GLY 65 -13.685 -0.828 5.593 484 H LEU 66 H LEU 66 -10.164 -0.346 4.861 485 HA LEU 66 HA LEU 66 -10.850 -0.798 2.041 486 HB2 LEU 66 1HB LEU 66 -8.584 0.875 3.119 487 HB3 LEU 66 2HB LEU 66 -9.123 0.747 1.456 488 HG LEU 66 HG LEU 66 -10.491 2.130 3.764 489 HD11 LEU 66 1HD1 LEU 66 -8.761 2.989 1.705 490 HD12 LEU 66 2HD1 LEU 66 -10.380 3.607 1.301 491 HD13 LEU 66 3HD1 LEU 66 -9.653 3.983 2.882 492 HD21 LEU 66 1HD2 LEU 66 -11.696 1.043 1.259 493 HD22 LEU 66 2HD2 LEU 66 -12.391 1.224 2.887 494 HD23 LEU 66 3HD2 LEU 66 -12.228 2.644 1.827 495 H LEU 67 H LEU 67 -9.123 -1.923 4.816 496 HA LEU 67 HA LEU 67 -7.307 -3.462 3.109 497 HB2 LEU 67 1HB LEU 67 -7.236 -2.635 5.998 498 HB3 LEU 67 2HB LEU 67 -6.260 -3.967 5.410 499 HG LEU 67 HG LEU 67 -4.839 -2.102 5.394 500 HD11 LEU 67 1HD1 LEU 67 -5.686 -1.972 2.524 501 HD12 LEU 67 2HD1 LEU 67 -4.058 -2.078 3.234 502 HD13 LEU 67 3HD1 LEU 67 -5.107 -3.515 3.197 503 HD21 LEU 67 1HD2 LEU 67 -5.544 0.017 4.078 504 HD22 LEU 67 2HD2 LEU 67 -7.201 -0.592 4.305 505 HD23 LEU 67 3HD2 LEU 67 -6.181 -0.239 5.721 506 H HIS 68 H HIS 68 -7.777 -5.549 2.682 507 HA HIS 68 HA HIS 68 -9.416 -6.957 4.644 508 HB2 HIS 68 1HB HIS 68 -9.876 -7.057 1.651 509 HB3 HIS 68 2HB HIS 68 -10.759 -7.954 2.870 510 HD1 HIS 68 1HD HIS 68 -11.344 -5.246 0.776 511 HD2 HIS 68 2HD HIS 68 -11.764 -5.736 4.921 512 HE1 HIS 68 1HE HIS 68 -12.997 -3.460 1.543 513 H GLU 69 H GLU 69 -8.763 -9.063 5.043 514 HA GLU 69 HA GLU 69 -6.226 -9.784 4.529 515 HB2 GLU 69 1HB GLU 69 -8.673 -11.535 4.998 516 HB3 GLU 69 2HB GLU 69 -7.040 -12.170 5.003 517 HG2 GLU 69 1HG GLU 69 -6.446 -10.471 6.798 518 HG3 GLU 69 2HG GLU 69 -8.131 -9.994 6.848 519 H GLY 70 H GLY 70 -5.096 -10.320 2.713 520 HA2 GLY 70 1HA GLY 70 -4.937 -11.912 0.886 521 HA3 GLY 70 2HA GLY 70 -6.607 -11.557 0.489 522 H ASP 71 H ASP 71 -5.760 -8.584 1.400 523 HA ASP 71 HA ASP 71 -5.437 -7.702 -1.239 524 HB2 ASP 71 1HB ASP 71 -5.564 -6.486 1.496 525 HB3 ASP 71 2HB ASP 71 -4.761 -5.517 0.277 526 H GLU 72 H GLU 72 -3.514 -7.114 -2.334 527 HA GLU 72 HA GLU 72 -1.072 -7.611 -0.842 528 HB2 GLU 72 1HB GLU 72 -1.332 -8.978 -2.848 529 HB3 GLU 72 2HB GLU 72 -1.655 -7.565 -3.832 530 HG2 GLU 72 1HG GLU 72 0.590 -6.815 -3.739 531 HG3 GLU 72 2HG GLU 72 0.938 -7.712 -2.275 532 H VAL 73 H VAL 73 0.252 -5.930 -0.280 533 HA VAL 73 HA VAL 73 -0.457 -3.304 -1.304 534 HB VAL 73 HB VAL 73 1.586 -3.969 0.807 535 HG11 VAL 73 1HG1 VAL 73 1.670 -1.683 0.134 536 HG12 VAL 73 2HG1 VAL 73 -0.104 -1.536 0.162 537 HG13 VAL 73 3HG1 VAL 73 0.798 -1.726 1.685 538 HG21 VAL 73 1HG2 VAL 73 -0.174 -5.074 1.789 539 HG22 VAL 73 2HG2 VAL 73 -0.495 -3.417 2.354 540 HG23 VAL 73 3HG2 VAL 73 -1.403 -4.079 0.973 541 H LEU 74 H LEU 74 0.560 -2.512 -3.065 542 HA LEU 74 HA LEU 74 3.176 -3.643 -3.713 543 HB2 LEU 74 1HB LEU 74 1.550 -1.901 -5.531 544 HB3 LEU 74 2HB LEU 74 2.769 -3.094 -5.933 545 HG LEU 74 HG LEU 74 0.248 -4.027 -4.610 546 HD11 LEU 74 1HD1 LEU 74 -1.088 -3.223 -6.189 547 HD12 LEU 74 2HD1 LEU 74 0.291 -2.550 -7.091 548 HD13 LEU 74 3HD1 LEU 74 -0.220 -4.232 -7.371 549 HD21 LEU 74 1HD2 LEU 74 0.650 -6.042 -5.839 550 HD22 LEU 74 2HD2 LEU 74 1.922 -5.263 -6.810 551 HD23 LEU 74 3HD2 LEU 74 2.177 -5.546 -5.072 552 H GLU 75 H GLU 75 1.442 -0.448 -3.663 553 HA GLU 75 HA GLU 75 3.935 0.684 -2.702 554 HB2 GLU 75 1HB GLU 75 2.803 1.132 -5.323 555 HB3 GLU 75 2HB GLU 75 2.703 2.628 -4.417 556 HG2 GLU 75 1HG GLU 75 5.111 2.542 -3.906 557 HG3 GLU 75 2HG GLU 75 5.250 0.958 -4.642 558 H ILE 76 H ILE 76 3.646 2.701 -1.474 559 HA ILE 76 HA ILE 76 0.867 3.320 -0.829 560 HB ILE 76 HB ILE 76 2.976 2.354 1.071 561 HG12 ILE 76 1HG1 ILE 76 0.020 1.736 0.793 562 HG13 ILE 76 2HG1 ILE 76 1.321 0.761 0.139 563 HG21 ILE 76 1HG2 ILE 76 1.152 4.584 1.506 564 HG22 ILE 76 2HG2 ILE 76 0.895 3.259 2.667 565 HG23 ILE 76 3HG2 ILE 76 2.507 3.996 2.499 566 HD11 ILE 76 1HD1 ILE 76 1.612 1.427 3.028 567 HD12 ILE 76 2HD1 ILE 76 0.226 0.386 2.625 568 HD13 ILE 76 3HD1 ILE 76 1.875 -0.118 2.183 569 H ASN 77 H ASN 77 0.693 5.408 -1.454 570 HA ASN 77 HA ASN 77 1.042 7.550 -1.522 571 HB2 ASN 77 1HB ASN 77 2.559 6.775 0.869 572 HB3 ASN 77 2HB ASN 77 3.344 8.120 0.066 573 HD21 ASN 77 1HD2 ASN 77 2.198 8.317 2.572 574 HD22 ASN 77 2HD2 ASN 77 0.828 9.376 2.527 575 H GLY 78 H GLY 78 2.917 5.256 -2.782 576 HA2 GLY 78 1HA GLY 78 4.107 5.823 -4.810 577 HA3 GLY 78 2HA GLY 78 4.868 7.147 -3.950 578 H ILE 79 H ILE 79 5.139 5.469 -1.418 579 HA ILE 79 HA ILE 79 7.691 4.388 -2.068 580 HB ILE 79 HB ILE 79 6.059 4.374 0.472 581 HG12 ILE 79 1HG1 ILE 79 8.270 6.023 0.794 582 HG13 ILE 79 2HG1 ILE 79 7.755 6.366 -0.846 583 HG21 ILE 79 1HG2 ILE 79 7.865 3.508 1.642 584 HG22 ILE 79 2HG2 ILE 79 7.862 2.540 0.149 585 HG23 ILE 79 3HG2 ILE 79 9.022 3.876 0.340 586 HD11 ILE 79 1HD1 ILE 79 6.296 6.810 1.741 587 HD12 ILE 79 2HD1 ILE 79 6.359 7.829 0.283 588 HD13 ILE 79 3HD1 ILE 79 5.319 6.385 0.315 589 H GLU 80 H GLU 80 8.356 2.228 -2.172 590 HA GLU 80 HA GLU 80 6.375 0.459 -3.070 591 HB2 GLU 80 1HB GLU 80 9.259 0.604 -3.006 592 HB3 GLU 80 2HB GLU 80 8.776 -0.971 -2.408 593 HG2 GLU 80 1HG GLU 80 7.263 -1.205 -4.445 594 HG3 GLU 80 2HG GLU 80 7.937 0.292 -5.058 595 H ILE 81 H ILE 81 5.983 -1.771 -2.142 596 HA ILE 81 HA ILE 81 6.350 -1.846 0.756 597 HB ILE 81 HB ILE 81 3.734 -2.108 -0.719 598 HG12 ILE 81 1HG1 ILE 81 4.723 0.164 0.088 599 HG13 ILE 81 2HG1 ILE 81 3.038 -0.213 0.387 600 HG21 ILE 81 1HG2 ILE 81 4.553 -3.119 1.988 601 HG22 ILE 81 2HG2 ILE 81 2.886 -2.566 1.698 602 HG23 ILE 81 3HG2 ILE 81 3.562 -3.900 0.732 603 HD11 ILE 81 1HD1 ILE 81 3.604 -0.990 2.685 604 HD12 ILE 81 2HD1 ILE 81 5.316 -0.613 2.381 605 HD13 ILE 81 3HD1 ILE 81 4.111 0.696 2.424 606 H ARG 82 H ARG 82 5.440 -3.517 -2.307 607 HA ARG 82 HA ARG 82 5.256 -6.023 -1.644 608 HB2 ARG 82 1HB ARG 82 6.688 -4.652 -3.902 609 HB3 ARG 82 2HB ARG 82 6.991 -6.370 -3.734 610 HG2 ARG 82 1HG ARG 82 4.810 -6.959 -4.268 611 HG3 ARG 82 2HG ARG 82 4.123 -5.525 -3.531 612 HD2 ARG 82 1HD ARG 82 4.316 -4.268 -5.462 613 HD3 ARG 82 2HD ARG 82 5.843 -4.999 -5.916 614 HE ARG 82 HE ARG 82 3.613 -6.876 -6.108 615 HH11 ARG 82 2HH2 ARG 82 5.337 -4.308 -7.787 616 HH12 ARG 82 1HH2 ARG 82 4.846 -4.834 -9.362 617 HH21 ARG 82 2HH1 ARG 82 2.966 -7.571 -8.186 618 HH22 ARG 82 1HH1 ARG 82 3.489 -6.703 -9.591 619 H GLY 83 H GLY 83 8.535 -5.399 -2.932 620 HA2 GLY 83 1HA GLY 83 9.899 -7.311 -1.614 621 HA3 GLY 83 2HA GLY 83 10.598 -5.773 -2.081 622 H LYS 84 H LYS 84 8.871 -4.123 -0.313 623 HA LYS 84 HA LYS 84 10.488 -4.092 1.940 624 HB2 LYS 84 1HB LYS 84 7.683 -2.969 1.749 625 HB3 LYS 84 2HB LYS 84 8.991 -2.415 2.774 626 HG2 LYS 84 1HG LYS 84 10.169 -2.297 0.263 627 HG3 LYS 84 2HG LYS 84 8.505 -1.899 -0.113 628 HD2 LYS 84 1HD LYS 84 8.555 -0.153 1.723 629 HD3 LYS 84 2HD LYS 84 10.254 -0.507 1.969 630 HE2 LYS 84 1HE LYS 84 9.185 0.273 -0.774 631 HE3 LYS 84 2HE LYS 84 9.640 1.488 0.403 632 HZ1 LYS 84 1HZ LYS 84 11.499 -0.666 -0.224 633 HZ2 LYS 84 2HZ LYS 84 11.376 0.613 -1.231 634 HZ3 LYS 84 3HZ LYS 84 11.818 0.838 0.324 635 H ASP 85 H ASP 85 10.433 -5.086 3.921 636 HA ASP 85 HA ASP 85 8.814 -7.381 4.106 637 HB2 ASP 85 1HB ASP 85 11.078 -7.305 5.072 638 HB3 ASP 85 2HB ASP 85 10.631 -5.967 6.111 639 H VAL 86 H VAL 86 7.554 -7.765 6.327 640 HA VAL 86 HA VAL 86 5.473 -5.917 6.463 641 HB VAL 86 HB VAL 86 4.680 -7.255 8.297 642 HG11 VAL 86 1HG1 VAL 86 4.290 -9.167 7.099 643 HG12 VAL 86 2HG1 VAL 86 4.964 -8.151 5.802 644 HG13 VAL 86 3HG1 VAL 86 5.994 -9.351 6.619 645 HG21 VAL 86 1HG2 VAL 86 7.469 -8.453 8.369 646 HG22 VAL 86 2HG2 VAL 86 6.700 -7.453 9.625 647 HG23 VAL 86 3HG2 VAL 86 6.065 -9.077 9.268 648 H ASN 87 H ASN 87 8.316 -6.498 8.631 649 HA ASN 87 HA ASN 87 7.651 -4.657 10.534 650 HB2 ASN 87 1HB ASN 87 9.887 -6.292 9.891 651 HB3 ASN 87 2HB ASN 87 10.541 -4.668 9.968 652 HD21 ASN 87 1HD2 ASN 87 8.824 -7.184 11.688 653 HD22 ASN 87 2HD2 ASN 87 9.093 -6.610 13.300 654 H GLU 88 H GLU 88 9.611 -4.331 7.491 655 HA GLU 88 HA GLU 88 10.349 -1.710 7.828 656 HB2 GLU 88 1HB GLU 88 10.385 -3.703 5.721 657 HB3 GLU 88 2HB GLU 88 9.926 -2.157 5.036 658 HG2 GLU 88 1HG GLU 88 11.999 -1.427 6.740 659 HG3 GLU 88 2HG GLU 88 12.522 -3.010 6.198 660 H VAL 89 H VAL 89 7.277 -3.153 6.775 661 HA VAL 89 HA VAL 89 6.250 -0.692 5.730 662 HB VAL 89 HB VAL 89 5.154 -3.435 6.291 663 HG11 VAL 89 1HG1 VAL 89 3.582 -1.013 5.350 664 HG12 VAL 89 2HG1 VAL 89 3.001 -2.694 5.303 665 HG13 VAL 89 3HG1 VAL 89 3.346 -1.916 6.866 666 HG21 VAL 89 1HG2 VAL 89 5.323 -3.794 4.051 667 HG22 VAL 89 2HG2 VAL 89 4.946 -2.104 3.637 668 HG23 VAL 89 3HG2 VAL 89 6.581 -2.542 4.189 669 H PHE 90 H PHE 90 5.666 -2.726 8.682 670 HA PHE 90 HA PHE 90 3.815 -1.102 9.879 671 HB2 PHE 90 1HB PHE 90 6.148 -2.779 10.975 672 HB3 PHE 90 2HB PHE 90 4.876 -2.157 12.007 673 HD1 PHE 90 2HD PHE 90 2.532 -2.604 10.163 674 HD2 PHE 90 1HD PHE 90 5.814 -5.093 11.184 675 HE1 PHE 90 2HE PHE 90 1.142 -4.637 9.676 676 HE2 PHE 90 1HE PHE 90 4.424 -7.126 10.697 677 HZ PHE 90 HZ PHE 90 2.105 -6.873 9.949 678 H ASP 91 H ASP 91 7.354 -0.722 9.633 679 HA ASP 91 HA ASP 91 7.416 1.292 11.633 680 HB2 ASP 91 1HB ASP 91 9.292 -0.333 10.317 681 HB3 ASP 91 2HB ASP 91 9.641 1.265 9.689 682 H LEU 92 H LEU 92 7.214 1.017 8.063 683 HA LEU 92 HA LEU 92 7.824 3.665 7.424 684 HB2 LEU 92 1HB LEU 92 6.655 1.310 6.114 685 HB3 LEU 92 2HB LEU 92 6.092 2.839 5.469 686 HG LEU 92 HG LEU 92 9.018 2.671 5.840 687 HD11 LEU 92 1HD1 LEU 92 7.694 0.437 4.677 688 HD12 LEU 92 2HD1 LEU 92 8.503 1.337 3.371 689 HD13 LEU 92 3HD1 LEU 92 9.439 0.774 4.777 690 HD21 LEU 92 1HD2 LEU 92 7.125 3.646 3.700 691 HD22 LEU 92 2HD2 LEU 92 8.205 4.591 4.754 692 HD23 LEU 92 3HD2 LEU 92 8.888 3.578 3.459 693 H LEU 93 H LEU 93 4.523 2.141 7.373 694 HA LEU 93 HA LEU 93 3.069 4.410 7.225 695 HB2 LEU 93 1HB LEU 93 2.460 1.895 8.783 696 HB3 LEU 93 2HB LEU 93 1.282 3.135 8.398 697 HG LEU 93 HG LEU 93 2.785 1.399 6.421 698 HD11 LEU 93 1HD1 LEU 93 -0.134 1.467 7.232 699 HD12 LEU 93 2HD1 LEU 93 0.546 0.495 5.905 700 HD13 LEU 93 3HD1 LEU 93 1.046 0.181 7.584 701 HD21 LEU 93 1HD2 LEU 93 0.737 2.677 5.053 702 HD22 LEU 93 2HD2 LEU 93 1.444 3.961 6.063 703 HD23 LEU 93 3HD2 LEU 93 2.477 3.037 4.945 704 H SER 94 H SER 94 4.332 2.864 10.249 705 HA SER 94 HA SER 94 3.248 4.370 12.122 706 HB2 SER 94 1HB SER 94 5.556 2.759 11.897 707 HB3 SER 94 2HB SER 94 6.143 4.265 12.575 708 HG SER 94 HG SER 94 5.355 3.606 14.443 709 H ASP 95 H ASP 95 6.290 5.308 10.347 710 HA ASP 95 HA ASP 95 6.462 7.809 11.497 711 HB2 ASP 95 1HB ASP 95 7.681 6.333 9.258 712 HB3 ASP 95 2HB ASP 95 7.549 8.043 8.902 713 H MET 96 H MET 96 4.749 6.520 8.614 714 HA MET 96 HA MET 96 4.069 9.087 7.626 715 HB2 MET 96 1HB MET 96 2.755 6.383 7.023 716 HB3 MET 96 2HB MET 96 2.751 7.796 5.985 717 HG2 MET 96 1HG MET 96 5.484 7.373 6.429 718 HG3 MET 96 2HG MET 96 4.852 5.741 6.349 719 HE1 MET 96 1HE MET 96 2.448 5.845 4.749 720 HE2 MET 96 2HE MET 96 2.774 5.942 3.002 721 HE3 MET 96 3HE MET 96 3.613 4.728 3.998 722 H HIS 97 H HIS 97 1.652 9.656 7.221 723 HA HIS 97 HA HIS 97 -0.269 8.595 8.979 724 HB2 HIS 97 1HB HIS 97 -0.398 11.064 10.102 725 HB3 HIS 97 2HB HIS 97 0.332 9.660 10.853 726 HD1 HIS 97 1HD HIS 97 1.516 12.415 8.442 727 HD2 HIS 97 2HD HIS 97 2.842 10.204 11.752 728 HE1 HIS 97 1HE HIS 97 3.845 13.294 9.003 729 H GLY 98 H GLY 98 -2.183 10.479 9.092 730 HA2 GLY 98 1HA GLY 98 -3.621 11.752 7.912 731 HA3 GLY 98 2HA GLY 98 -2.314 12.198 6.833 732 H THR 99 H THR 99 -4.037 12.025 5.127 733 HA THR 99 HA THR 99 -5.157 9.477 4.543 734 HB THR 99 HB THR 99 -4.826 11.885 2.690 735 HG1 THR 99 1HG THR 99 -5.818 12.794 4.482 736 HG21 THR 99 1HG2 THR 99 -7.070 9.838 3.104 737 HG22 THR 99 2HG2 THR 99 -7.104 11.195 1.952 738 HG23 THR 99 3HG2 THR 99 -5.950 9.859 1.721 739 H LEU 100 H LEU 100 -3.766 7.805 4.236 740 HA LEU 100 HA LEU 100 -1.522 8.269 2.431 741 HB2 LEU 100 1HB LEU 100 -1.996 5.687 3.849 742 HB3 LEU 100 2HB LEU 100 -0.490 6.455 3.385 743 HG LEU 100 HG LEU 100 -1.645 8.207 5.254 744 HD11 LEU 100 1HD1 LEU 100 -2.469 5.437 5.761 745 HD12 LEU 100 2HD1 LEU 100 -1.620 6.200 7.126 746 HD13 LEU 100 3HD1 LEU 100 -3.075 6.965 6.443 747 HD21 LEU 100 1HD2 LEU 100 0.792 7.107 4.751 748 HD22 LEU 100 2HD2 LEU 100 0.394 8.082 6.187 749 HD23 LEU 100 3HD2 LEU 100 0.361 6.305 6.281 750 H THR 101 H THR 101 -1.421 7.433 0.383 751 HA THR 101 HA THR 101 -3.860 6.177 -0.586 752 HB THR 101 HB THR 101 -1.347 7.212 -2.003 753 HG1 THR 101 1HG THR 101 -2.794 8.718 -0.723 754 HG21 THR 101 1HG2 THR 101 -2.557 5.749 -3.532 755 HG22 THR 101 2HG2 THR 101 -4.126 6.381 -2.976 756 HG23 THR 101 3HG2 THR 101 -3.036 7.416 -3.929 757 H PHE 102 H PHE 102 -4.010 4.051 -0.105 758 HA PHE 102 HA PHE 102 -1.614 2.434 -0.300 759 HB2 PHE 102 1HB PHE 102 -4.557 1.937 0.451 760 HB3 PHE 102 2HB PHE 102 -3.333 0.685 0.527 761 HD1 PHE 102 1HD PHE 102 -4.285 3.980 1.933 762 HD2 PHE 102 2HD PHE 102 -1.937 0.477 2.412 763 HE1 PHE 102 1HE PHE 102 -3.706 4.687 4.271 764 HE2 PHE 102 2HE PHE 102 -1.359 1.185 4.750 765 HZ PHE 102 HZ PHE 102 -2.250 3.281 5.651 766 H VAL 103 H VAL 103 -1.034 1.494 -2.195 767 HA VAL 103 HA VAL 103 -3.146 1.074 -4.177 768 HB VAL 103 HB VAL 103 -0.158 0.980 -4.580 769 HG11 VAL 103 1HG1 VAL 103 -2.124 0.151 -6.247 770 HG12 VAL 103 2HG1 VAL 103 -2.020 1.865 -6.716 771 HG13 VAL 103 3HG1 VAL 103 -0.575 0.829 -6.805 772 HG21 VAL 103 1HG2 VAL 103 -0.073 3.177 -4.178 773 HG22 VAL 103 2HG2 VAL 103 -1.089 3.404 -5.622 774 HG23 VAL 103 3HG2 VAL 103 -1.842 3.283 -4.014 775 H LEU 104 H LEU 104 -4.083 -0.874 -3.521 776 HA LEU 104 HA LEU 104 -2.285 -3.170 -3.748 777 HB2 LEU 104 1HB LEU 104 -3.826 -4.171 -1.893 778 HB3 LEU 104 2HB LEU 104 -2.405 -3.229 -1.492 779 HG LEU 104 HG LEU 104 -4.325 -1.275 -1.586 780 HD11 LEU 104 1HD1 LEU 104 -6.162 -2.790 -1.922 781 HD12 LEU 104 2HD1 LEU 104 -5.649 -3.792 -0.543 782 HD13 LEU 104 3HD1 LEU 104 -6.249 -2.140 -0.267 783 HD21 LEU 104 1HD2 LEU 104 -4.096 -1.148 0.771 784 HD22 LEU 104 2HD2 LEU 104 -3.706 -2.880 0.901 785 HD23 LEU 104 3HD2 LEU 104 -2.548 -1.762 0.141 786 H ILE 105 H ILE 105 -3.737 -5.264 -3.940 787 HA ILE 105 HA ILE 105 -6.042 -4.555 -5.618 788 HB ILE 105 HB ILE 105 -4.250 -6.919 -6.114 789 HG12 ILE 105 1HG1 ILE 105 -3.957 -4.105 -7.197 790 HG13 ILE 105 2HG1 ILE 105 -2.788 -5.010 -6.256 791 HG21 ILE 105 1HG2 ILE 105 -6.710 -6.485 -7.045 792 HG22 ILE 105 2HG2 ILE 105 -5.805 -5.521 -8.236 793 HG23 ILE 105 3HG2 ILE 105 -5.436 -7.250 -8.025 794 HD11 ILE 105 1HD1 ILE 105 -3.607 -6.559 -8.591 795 HD12 ILE 105 2HD1 ILE 105 -3.018 -4.950 -9.074 796 HD13 ILE 105 3HD1 ILE 105 -1.978 -6.027 -8.111 797 HA PRO 106 HA PRO 106 -8.047 -7.116 -2.733 798 HB2 PRO 106 1HB PRO 106 -10.577 -6.904 -3.744 799 HB3 PRO 106 2HB PRO 106 -9.878 -5.722 -2.655 800 HG2 PRO 106 1HG PRO 106 -10.322 -5.521 -5.571 801 HG3 PRO 106 2HG PRO 106 -10.033 -4.237 -4.413 802 HD2 PRO 106 1HD PRO 106 -8.145 -5.322 -6.280 803 HD3 PRO 106 2HD PRO 106 -7.826 -4.121 -5.045 804 H SER 107 H SER 107 -7.636 -9.227 -2.645 805 HA SER 107 HA SER 107 -7.678 -10.693 -5.028 806 HB2 SER 107 1HB SER 107 -6.191 -11.551 -3.443 807 HB3 SER 107 2HB SER 107 -7.297 -11.304 -2.106 808 HG SER 107 HG SER 107 -7.751 -13.262 -4.188 809 H SER 108 H SER 108 -10.035 -9.832 -5.487 810 HA SER 108 HA SER 108 -12.215 -10.087 -5.492 811 HB2 SER 108 1HB SER 108 -10.977 -12.753 -5.938 812 HB3 SER 108 2HB SER 108 -12.685 -12.812 -5.548 813 HG SER 108 HG SER 108 -11.606 -12.264 -7.920 814 H GLY 109 H GLY 109 -11.016 -9.926 -2.763 815 HA2 GLY 109 1HA GLY 109 -11.648 -10.119 -0.617 816 HA3 GLY 109 2HA GLY 109 -13.275 -10.389 -1.210 817 HA PRO 110 HA PRO 110 -11.667 -14.263 0.683 818 HB2 PRO 110 1HB PRO 110 -13.186 -14.338 2.954 819 HB3 PRO 110 2HB PRO 110 -11.543 -13.729 2.920 820 HG2 PRO 110 1HG PRO 110 -14.078 -12.217 3.086 821 HG3 PRO 110 2HG PRO 110 -12.454 -11.683 3.473 822 HD2 PRO 110 1HD PRO 110 -13.956 -11.041 1.115 823 HD3 PRO 110 2HD PRO 110 -12.293 -10.604 1.450 824 H SER 111 H SER 111 -12.855 -14.641 -1.444 825 HA SER 111 HA SER 111 -15.457 -15.014 -1.664 826 HB2 SER 111 1HB SER 111 -13.085 -16.491 -2.747 827 HB3 SER 111 2HB SER 111 -14.646 -17.251 -2.984 828 HG SER 111 HG SER 111 -15.402 -15.293 -4.010 829 H SER 112 H SER 112 -17.058 -16.229 -0.698 830 HA SER 112 HA SER 112 -16.225 -18.058 1.337 831 HB2 SER 112 1HB SER 112 -19.067 -17.385 0.470 832 HB3 SER 112 2HB SER 112 -18.565 -18.073 2.002 833 HG SER 112 HG SER 112 -17.871 -15.432 1.028 834 H GLY 113 H GLY 113 -15.499 -20.014 0.481 835 HA2 GLY 113 1HA GLY 113 -16.931 -21.230 -1.742 836 HA3 GLY 113 2HA GLY 113 -15.441 -21.776 -0.998 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 8.853 24.833 -51.329 2 HA2 GLY 1 1HA GLY 1 7.836 23.119 -49.544 3 HA3 GLY 1 2HA GLY 1 8.840 24.121 -48.515 4 H SER 2 H SER 2 5.737 23.758 -49.237 5 HA SER 2 HA SER 2 5.272 26.636 -49.285 6 HB2 SER 2 1HB SER 2 4.584 25.104 -51.366 7 HB3 SER 2 2HB SER 2 3.206 24.715 -50.355 8 HG SER 2 HG SER 2 3.899 27.468 -50.626 9 H SER 3 H SER 3 4.206 27.371 -47.477 10 HA SER 3 HA SER 3 2.994 27.415 -45.676 11 HB2 SER 3 1HB SER 3 1.283 26.251 -47.242 12 HB3 SER 3 2HB SER 3 1.702 24.764 -46.415 13 HG SER 3 HG SER 3 -0.021 25.542 -45.255 14 H GLY 4 H GLY 4 2.642 26.256 -43.485 15 HA2 GLY 4 1HA GLY 4 4.631 24.100 -43.118 16 HA3 GLY 4 2HA GLY 4 4.595 25.511 -42.078 17 H SER 5 H SER 5 4.230 23.969 -40.278 18 HA SER 5 HA SER 5 1.567 23.894 -39.564 19 HB2 SER 5 1HB SER 5 2.487 21.554 -41.093 20 HB3 SER 5 2HB SER 5 1.892 21.102 -39.507 21 HG SER 5 HG SER 5 0.492 22.014 -41.736 22 H SER 6 H SER 6 1.301 23.003 -37.350 23 HA SER 6 HA SER 6 3.904 22.564 -36.105 24 HB2 SER 6 1HB SER 6 2.774 24.756 -35.536 25 HB3 SER 6 2HB SER 6 1.444 23.851 -34.842 26 HG SER 6 HG SER 6 4.112 24.174 -33.889 27 H GLY 7 H GLY 7 4.069 20.405 -35.604 28 HA2 GLY 7 1HA GLY 7 1.866 18.668 -35.381 29 HA3 GLY 7 2HA GLY 7 3.521 18.338 -34.910 30 HA PRO 8 HA PRO 8 0.813 19.672 -31.236 31 HB2 PRO 8 1HB PRO 8 -1.452 18.149 -31.088 32 HB3 PRO 8 2HB PRO 8 -1.436 19.783 -31.720 33 HG2 PRO 8 1HG PRO 8 -1.631 17.228 -33.194 34 HG3 PRO 8 2HG PRO 8 -2.034 18.844 -33.740 35 HD2 PRO 8 1HD PRO 8 0.312 17.338 -34.417 36 HD3 PRO 8 2HD PRO 8 -0.036 18.996 -34.868 37 H ILE 9 H ILE 9 2.511 18.896 -30.047 38 HA ILE 9 HA ILE 9 2.759 16.054 -29.807 39 HB ILE 9 HB ILE 9 4.169 18.382 -28.507 40 HG12 ILE 9 1HG1 ILE 9 5.398 16.434 -30.433 41 HG13 ILE 9 2HG1 ILE 9 4.388 17.726 -31.049 42 HG21 ILE 9 1HG2 ILE 9 4.499 16.790 -26.885 43 HG22 ILE 9 2HG2 ILE 9 4.402 15.434 -28.033 44 HG23 ILE 9 3HG2 ILE 9 5.863 16.448 -27.975 45 HD11 ILE 9 1HD1 ILE 9 6.268 18.710 -29.014 46 HD12 ILE 9 2HD1 ILE 9 7.102 17.929 -30.378 47 HD13 ILE 9 3HD1 ILE 9 5.993 19.289 -30.675 48 H THR 10 H THR 10 2.433 14.794 -27.892 49 HA THR 10 HA THR 10 0.597 16.081 -25.979 50 HB THR 10 HB THR 10 0.619 13.237 -27.121 51 HG1 THR 10 1HG THR 10 -1.110 14.107 -28.299 52 HG21 THR 10 1HG2 THR 10 -1.784 13.434 -25.959 53 HG22 THR 10 2HG2 THR 10 -0.378 12.897 -25.009 54 HG23 THR 10 3HG2 THR 10 -0.937 14.583 -24.895 55 H ASP 11 H ASP 11 0.601 15.146 -23.783 56 HA ASP 11 HA ASP 11 3.097 13.812 -23.172 57 HB2 ASP 11 1HB ASP 11 2.999 15.473 -21.042 58 HB3 ASP 11 2HB ASP 11 3.891 15.868 -22.498 59 H GLU 12 H GLU 12 1.936 11.906 -22.544 60 HA GLU 12 HA GLU 12 -0.228 12.278 -20.659 61 HB2 GLU 12 1HB GLU 12 -0.684 9.860 -21.076 62 HB3 GLU 12 2HB GLU 12 -0.692 10.804 -22.552 63 HG2 GLU 12 1HG GLU 12 1.315 9.885 -23.328 64 HG3 GLU 12 2HG GLU 12 1.928 9.577 -21.716 65 H ARG 13 H ARG 13 2.004 13.056 -19.395 66 HA ARG 13 HA ARG 13 2.417 10.870 -17.572 67 HB2 ARG 13 1HB ARG 13 4.608 12.231 -19.168 68 HB3 ARG 13 2HB ARG 13 4.966 11.675 -17.545 69 HG2 ARG 13 1HG ARG 13 4.547 9.395 -18.090 70 HG3 ARG 13 2HG ARG 13 3.612 9.806 -19.514 71 HD2 ARG 13 1HD ARG 13 5.506 9.488 -20.733 72 HD3 ARG 13 2HD ARG 13 6.123 10.969 -20.029 73 HE ARG 13 HE ARG 13 7.622 9.675 -18.805 74 HH11 ARG 13 2HH2 ARG 13 4.814 7.695 -19.566 75 HH12 ARG 13 1HH2 ARG 13 5.466 6.265 -18.838 76 HH21 ARG 13 2HH1 ARG 13 8.482 7.789 -17.844 77 HH22 ARG 13 1HH1 ARG 13 7.566 6.319 -17.852 78 H VAL 14 H VAL 14 0.991 12.295 -16.271 79 HA VAL 14 HA VAL 14 2.530 14.163 -14.742 80 HB VAL 14 HB VAL 14 0.236 15.102 -16.470 81 HG11 VAL 14 1HG1 VAL 14 1.113 17.345 -15.194 82 HG12 VAL 14 2HG1 VAL 14 -0.294 16.381 -14.684 83 HG13 VAL 14 3HG1 VAL 14 1.286 16.132 -13.902 84 HG21 VAL 14 1HG2 VAL 14 2.245 15.172 -17.726 85 HG22 VAL 14 2HG2 VAL 14 1.984 16.833 -17.142 86 HG23 VAL 14 3HG2 VAL 14 3.182 15.787 -16.343 87 H TYR 15 H TYR 15 0.980 11.548 -14.601 88 HA TYR 15 HA TYR 15 -0.879 12.403 -12.486 89 HB2 TYR 15 1HB TYR 15 -1.099 9.784 -14.013 90 HB3 TYR 15 2HB TYR 15 -2.394 10.748 -13.332 91 HD1 TYR 15 1HD TYR 15 0.013 10.554 -16.161 92 HD2 TYR 15 2HD TYR 15 -3.567 12.345 -14.651 93 HE1 TYR 15 1HE TYR 15 -0.472 11.536 -18.456 94 HE2 TYR 15 2HE TYR 15 -4.040 13.321 -16.951 95 HH TYR 15 HH TYR 15 -2.719 13.966 -18.937 96 H GLU 16 H GLU 16 -1.245 10.673 -10.796 97 HA GLU 16 HA GLU 16 1.331 9.517 -10.196 98 HB2 GLU 16 1HB GLU 16 -1.101 9.492 -8.379 99 HB3 GLU 16 2HB GLU 16 0.589 9.400 -7.926 100 HG2 GLU 16 1HG GLU 16 0.495 11.810 -9.321 101 HG3 GLU 16 2HG GLU 16 -1.072 11.782 -8.537 102 H SER 17 H SER 17 -0.145 7.553 -8.314 103 HA SER 17 HA SER 17 0.046 5.354 -9.936 104 HB2 SER 17 1HB SER 17 -1.255 4.196 -8.065 105 HB3 SER 17 2HB SER 17 0.192 5.052 -7.571 106 HG SER 17 HG SER 17 -1.792 6.857 -7.455 107 H ILE 18 H ILE 18 -1.275 4.553 -11.530 108 HA ILE 18 HA ILE 18 -4.040 5.536 -11.553 109 HB ILE 18 HB ILE 18 -2.246 4.605 -13.796 110 HG12 ILE 18 1HG1 ILE 18 -3.339 7.259 -14.075 111 HG13 ILE 18 2HG1 ILE 18 -2.519 7.125 -12.532 112 HG21 ILE 18 1HG2 ILE 18 -5.054 5.693 -14.053 113 HG22 ILE 18 2HG2 ILE 18 -4.021 4.988 -15.318 114 HG23 ILE 18 3HG2 ILE 18 -4.676 3.954 -14.026 115 HD11 ILE 18 1HD1 ILE 18 -0.533 6.103 -13.758 116 HD12 ILE 18 2HD1 ILE 18 -1.362 6.497 -15.283 117 HD13 ILE 18 3HD1 ILE 18 -0.871 7.800 -14.174 118 H GLY 19 H GLY 19 -5.762 4.051 -11.954 119 HA2 GLY 19 1HA GLY 19 -5.334 1.476 -10.792 120 HA3 GLY 19 2HA GLY 19 -6.825 2.121 -11.448 121 H HIS 20 H HIS 20 -3.532 1.228 -12.729 122 HA HIS 20 HA HIS 20 -4.499 -0.869 -14.281 123 HB2 HIS 20 1HB HIS 20 -5.595 1.014 -15.511 124 HB3 HIS 20 2HB HIS 20 -4.008 1.661 -15.875 125 HD1 HIS 20 1HD HIS 20 -4.613 1.322 -18.444 126 HD2 HIS 20 2HD HIS 20 -4.279 -2.204 -16.195 127 HE1 HIS 20 1HE HIS 20 -4.439 -0.587 -20.128 128 H TYR 21 H TYR 21 -2.496 -1.005 -12.607 129 HA TYR 21 HA TYR 21 -0.004 -0.086 -13.561 130 HB2 TYR 21 1HB TYR 21 -1.130 -2.155 -11.613 131 HB3 TYR 21 2HB TYR 21 0.595 -2.158 -11.918 132 HD1 TYR 21 2HD TYR 21 -1.517 0.897 -11.797 133 HD2 TYR 21 1HD TYR 21 1.343 -1.531 -9.741 134 HE1 TYR 21 2HE TYR 21 -1.202 2.727 -10.060 135 HE2 TYR 21 1HE TYR 21 1.649 0.307 -8.011 136 HH TYR 21 HH TYR 21 1.334 2.921 -8.090 137 H GLY 22 H GLY 22 0.000 -0.695 -15.843 138 HA2 GLY 22 1HA GLY 22 1.093 -2.047 -17.351 139 HA3 GLY 22 2HA GLY 22 1.073 -3.375 -16.208 140 H GLY 23 H GLY 23 -0.402 -5.006 -16.502 141 HA2 GLY 23 1HA GLY 23 -2.552 -4.499 -18.462 142 HA3 GLY 23 2HA GLY 23 -1.773 -6.040 -18.168 143 H GLU 24 H GLU 24 -1.725 -5.664 -15.181 144 HA GLU 24 HA GLU 24 -4.264 -6.782 -14.710 145 HB2 GLU 24 1HB GLU 24 -1.754 -6.702 -13.404 146 HB3 GLU 24 2HB GLU 24 -2.864 -5.933 -12.287 147 HG2 GLU 24 1HG GLU 24 -3.612 -7.985 -11.684 148 HG3 GLU 24 2HG GLU 24 -4.282 -8.177 -13.291 149 H THR 25 H THR 25 -5.072 -5.760 -12.211 150 HA THR 25 HA THR 25 -5.526 -2.905 -12.698 151 HB THR 25 HB THR 25 -7.995 -3.655 -11.867 152 HG1 THR 25 1HG THR 25 -6.793 -5.844 -13.415 153 HG21 THR 25 1HG2 THR 25 -7.108 -2.688 -14.225 154 HG22 THR 25 2HG2 THR 25 -7.392 -4.368 -14.740 155 HG23 THR 25 3HG2 THR 25 -8.732 -3.401 -14.079 156 H VAL 26 H VAL 26 -5.006 -1.738 -10.966 157 HA VAL 26 HA VAL 26 -4.943 -3.164 -8.404 158 HB VAL 26 HB VAL 26 -3.443 -1.247 -7.752 159 HG11 VAL 26 1HG1 VAL 26 -1.607 -2.182 -9.538 160 HG12 VAL 26 2HG1 VAL 26 -2.106 -3.042 -8.062 161 HG13 VAL 26 3HG1 VAL 26 -2.847 -3.457 -9.626 162 HG21 VAL 26 1HG2 VAL 26 -2.665 -0.656 -10.507 163 HG22 VAL 26 2HG2 VAL 26 -4.322 -0.123 -10.136 164 HG23 VAL 26 3HG2 VAL 26 -2.961 0.444 -9.139 165 H LYS 27 H LYS 27 -6.080 -2.381 -6.623 166 HA LYS 27 HA LYS 27 -7.946 -0.211 -7.269 167 HB2 LYS 27 1HB LYS 27 -8.758 -2.610 -6.736 168 HB3 LYS 27 2HB LYS 27 -8.320 -2.252 -5.078 169 HG2 LYS 27 1HG LYS 27 -9.745 0.036 -5.905 170 HG3 LYS 27 2HG LYS 27 -10.616 -1.290 -6.650 171 HD2 LYS 27 1HD LYS 27 -11.112 -2.314 -4.568 172 HD3 LYS 27 2HD LYS 27 -9.800 -1.501 -3.739 173 HE2 LYS 27 1HE LYS 27 -11.073 0.346 -3.282 174 HE3 LYS 27 2HE LYS 27 -11.744 0.400 -4.899 175 HZ1 LYS 27 1HZ LYS 27 -13.510 -0.757 -4.254 176 HZ2 LYS 27 2HZ LYS 27 -12.661 -1.809 -3.337 177 HZ3 LYS 27 3HZ LYS 27 -13.086 -0.354 -2.729 178 H ILE 28 H ILE 28 -7.416 1.721 -6.418 179 HA ILE 28 HA ILE 28 -5.557 1.803 -4.216 180 HB ILE 28 HB ILE 28 -6.877 3.959 -5.867 181 HG12 ILE 28 1HG1 ILE 28 -4.438 4.184 -6.675 182 HG13 ILE 28 2HG1 ILE 28 -4.191 2.587 -5.998 183 HG21 ILE 28 1HG2 ILE 28 -4.931 4.105 -3.574 184 HG22 ILE 28 2HG2 ILE 28 -4.967 5.355 -4.841 185 HG23 ILE 28 3HG2 ILE 28 -6.417 5.042 -3.857 186 HD11 ILE 28 1HD1 ILE 28 -6.599 2.968 -7.759 187 HD12 ILE 28 2HD1 ILE 28 -4.999 2.937 -8.538 188 HD13 ILE 28 3HD1 ILE 28 -5.545 1.546 -7.571 189 H VAL 29 H VAL 29 -5.984 2.960 -2.202 190 HA VAL 29 HA VAL 29 -8.737 3.533 -1.585 191 HB VAL 29 HB VAL 29 -8.284 1.938 0.524 192 HG11 VAL 29 1HG1 VAL 29 -9.397 0.886 -2.095 193 HG12 VAL 29 2HG1 VAL 29 -9.837 0.383 -0.446 194 HG13 VAL 29 3HG1 VAL 29 -10.262 2.012 -1.023 195 HG21 VAL 29 1HG2 VAL 29 -6.109 1.232 -0.841 196 HG22 VAL 29 2HG2 VAL 29 -7.030 0.061 0.133 197 HG23 VAL 29 3HG2 VAL 29 -7.264 0.132 -1.630 198 H ARG 30 H ARG 30 -8.634 5.436 -0.523 199 HA ARG 30 HA ARG 30 -6.143 6.077 0.763 200 HB2 ARG 30 1HB ARG 30 -8.583 7.639 -0.124 201 HB3 ARG 30 2HB ARG 30 -7.537 8.345 1.092 202 HG2 ARG 30 1HG ARG 30 -5.714 8.534 -0.372 203 HG3 ARG 30 2HG ARG 30 -6.237 7.195 -1.374 204 HD2 ARG 30 1HD ARG 30 -8.147 9.475 -1.337 205 HD3 ARG 30 2HD ARG 30 -6.577 9.881 -2.001 206 HE ARG 30 HE ARG 30 -7.135 7.504 -3.267 207 HH11 ARG 30 2HH2 ARG 30 -8.985 10.468 -2.845 208 HH12 ARG 30 1HH2 ARG 30 -9.858 10.285 -4.330 209 HH21 ARG 30 2HH1 ARG 30 -8.286 7.262 -5.226 210 HH22 ARG 30 1HH1 ARG 30 -9.457 8.449 -5.693 211 H ILE 31 H ILE 31 -5.871 6.011 2.985 212 HA ILE 31 HA ILE 31 -8.324 5.864 4.596 213 HB ILE 31 HB ILE 31 -5.774 4.279 4.786 214 HG12 ILE 31 1HG1 ILE 31 -8.690 3.455 4.670 215 HG13 ILE 31 2HG1 ILE 31 -7.571 3.420 3.323 216 HG21 ILE 31 1HG2 ILE 31 -5.886 4.257 6.999 217 HG22 ILE 31 2HG2 ILE 31 -7.319 5.313 6.969 218 HG23 ILE 31 3HG2 ILE 31 -7.514 3.545 6.892 219 HD11 ILE 31 1HD1 ILE 31 -6.372 1.610 4.169 220 HD12 ILE 31 2HD1 ILE 31 -6.751 2.017 5.860 221 HD13 ILE 31 3HD1 ILE 31 -7.985 1.252 4.831 222 H GLU 32 H GLU 32 -8.458 7.231 6.345 223 HA GLU 32 HA GLU 32 -6.326 9.163 6.502 224 HB2 GLU 32 1HB GLU 32 -9.082 9.094 7.809 225 HB3 GLU 32 2HB GLU 32 -7.954 10.429 7.936 226 HG2 GLU 32 1HG GLU 32 -8.026 10.066 5.196 227 HG3 GLU 32 2HG GLU 32 -9.659 9.603 5.635 228 H LYS 33 H LYS 33 -4.674 8.848 7.924 229 HA LYS 33 HA LYS 33 -5.351 7.494 10.443 230 HB2 LYS 33 1HB LYS 33 -3.406 6.793 8.413 231 HB3 LYS 33 2HB LYS 33 -2.603 7.126 9.934 232 HG2 LYS 33 1HG LYS 33 -3.877 5.465 11.107 233 HG3 LYS 33 2HG LYS 33 -5.082 5.367 9.839 234 HD2 LYS 33 1HD LYS 33 -3.890 3.505 9.212 235 HD3 LYS 33 2HD LYS 33 -2.878 4.675 8.390 236 HE2 LYS 33 1HE LYS 33 -1.571 4.824 10.668 237 HE3 LYS 33 2HE LYS 33 -2.391 3.329 11.070 238 HZ1 LYS 33 1HZ LYS 33 -1.451 2.306 9.165 239 HZ2 LYS 33 2HZ LYS 33 -0.820 3.709 8.618 240 HZ3 LYS 33 3HZ LYS 33 -0.234 3.027 9.981 241 H ALA 34 H ALA 34 -4.841 8.569 12.301 242 HA ALA 34 HA ALA 34 -3.944 11.264 12.039 243 HB1 ALA 34 1HB ALA 34 -4.746 11.488 14.176 244 HB2 ALA 34 2HB ALA 34 -5.598 9.986 13.745 245 HB3 ALA 34 3HB ALA 34 -4.099 9.916 14.701 246 H ARG 35 H ARG 35 -2.169 12.035 13.707 247 HA ARG 35 HA ARG 35 0.170 10.629 12.927 248 HB2 ARG 35 1HB ARG 35 -0.066 13.001 14.843 249 HB3 ARG 35 2HB ARG 35 1.375 12.500 13.980 250 HG2 ARG 35 1HG ARG 35 -0.113 12.838 11.815 251 HG3 ARG 35 2HG ARG 35 -1.135 13.793 12.872 252 HD2 ARG 35 1HD ARG 35 1.862 14.298 12.759 253 HD3 ARG 35 2HD ARG 35 0.796 14.999 11.558 254 HE ARG 35 HE ARG 35 -0.459 15.678 13.912 255 HH11 ARG 35 2HH2 ARG 35 2.855 16.032 12.783 256 HH12 ARG 35 1HH2 ARG 35 3.157 17.458 13.718 257 HH21 ARG 35 2HH1 ARG 35 -0.061 17.560 15.146 258 HH22 ARG 35 1HH1 ARG 35 1.487 18.333 15.071 259 H ASP 36 H ASP 36 -2.014 9.731 15.096 260 HA ASP 36 HA ASP 36 -0.029 8.559 16.797 261 HB2 ASP 36 1HB ASP 36 -1.279 10.878 17.684 262 HB3 ASP 36 2HB ASP 36 -2.334 9.640 18.337 263 H ILE 37 H ILE 37 -1.995 7.750 14.680 264 HA ILE 37 HA ILE 37 -3.765 6.078 16.326 265 HB ILE 37 HB ILE 37 -4.234 7.642 13.848 266 HG12 ILE 37 1HG1 ILE 37 -5.109 7.933 16.353 267 HG13 ILE 37 2HG1 ILE 37 -6.052 8.415 14.957 268 HG21 ILE 37 1HG2 ILE 37 -5.606 4.989 14.364 269 HG22 ILE 37 2HG2 ILE 37 -6.046 6.178 13.115 270 HG23 ILE 37 3HG2 ILE 37 -4.475 5.345 13.037 271 HD11 ILE 37 1HD1 ILE 37 -7.267 6.262 14.983 272 HD12 ILE 37 2HD1 ILE 37 -6.270 5.705 16.348 273 HD13 ILE 37 3HD1 ILE 37 -7.397 7.066 16.565 274 HA PRO 38 HA PRO 38 -1.433 2.859 14.578 275 HB2 PRO 38 1HB PRO 38 -2.772 0.758 15.699 276 HB3 PRO 38 2HB PRO 38 -1.513 1.646 16.533 277 HG2 PRO 38 1HG PRO 38 -4.439 1.766 16.932 278 HG3 PRO 38 2HG PRO 38 -3.163 2.301 18.006 279 HD2 PRO 38 1HD PRO 38 -4.819 3.957 16.350 280 HD3 PRO 38 2HD PRO 38 -3.467 4.479 17.336 281 H LEU 39 H LEU 39 -1.622 0.871 13.209 282 HA LEU 39 HA LEU 39 -3.606 1.499 11.220 283 HB2 LEU 39 1HB LEU 39 -1.313 0.989 10.591 284 HB3 LEU 39 2HB LEU 39 -1.428 -0.591 11.339 285 HG LEU 39 HG LEU 39 -3.303 -1.104 9.691 286 HD11 LEU 39 1HD1 LEU 39 -3.396 1.499 9.154 287 HD12 LEU 39 2HD1 LEU 39 -2.218 1.024 7.907 288 HD13 LEU 39 3HD1 LEU 39 -3.826 0.263 7.948 289 HD21 LEU 39 1HD2 LEU 39 -1.802 -2.142 8.374 290 HD22 LEU 39 2HD2 LEU 39 -0.896 -0.647 8.038 291 HD23 LEU 39 3HD2 LEU 39 -0.630 -1.525 9.564 292 H GLY 40 H GLY 40 -2.819 -1.201 13.491 293 HA2 GLY 40 1HA GLY 40 -4.122 -2.816 14.355 294 HA3 GLY 40 2HA GLY 40 -5.520 -1.851 13.924 295 H ALA 41 H ALA 41 -2.993 -3.176 11.706 296 HA ALA 41 HA ALA 41 -4.892 -5.154 10.739 297 HB1 ALA 41 1HB ALA 41 -5.171 -2.897 9.502 298 HB2 ALA 41 2HB ALA 41 -3.574 -3.241 8.794 299 HB3 ALA 41 3HB ALA 41 -4.931 -4.358 8.513 300 H THR 42 H THR 42 -3.798 -7.044 10.609 301 HA THR 42 HA THR 42 -0.898 -6.952 10.596 302 HB THR 42 HB THR 42 -2.571 -9.476 10.594 303 HG1 THR 42 1HG THR 42 -3.701 -8.389 12.187 304 HG21 THR 42 1HG2 THR 42 -0.070 -9.578 10.914 305 HG22 THR 42 2HG2 THR 42 -0.233 -8.491 12.313 306 HG23 THR 42 3HG2 THR 42 -0.953 -10.118 12.361 307 H VAL 43 H VAL 43 0.457 -7.933 9.053 308 HA VAL 43 HA VAL 43 -0.869 -8.706 6.565 309 HB VAL 43 HB VAL 43 0.681 -7.351 5.275 310 HG11 VAL 43 1HG1 VAL 43 -0.921 -5.802 5.301 311 HG12 VAL 43 2HG1 VAL 43 -1.454 -6.362 6.904 312 HG13 VAL 43 3HG1 VAL 43 -0.213 -5.094 6.772 313 HG21 VAL 43 1HG2 VAL 43 1.906 -6.897 7.926 314 HG22 VAL 43 2HG2 VAL 43 2.635 -6.880 6.302 315 HG23 VAL 43 3HG2 VAL 43 1.767 -5.447 6.904 316 H ARG 44 H ARG 44 0.472 -10.089 5.198 317 HA ARG 44 HA ARG 44 2.394 -11.494 6.848 318 HB2 ARG 44 1HB ARG 44 1.007 -12.343 4.254 319 HB3 ARG 44 2HB ARG 44 2.090 -13.358 5.185 320 HG2 ARG 44 1HG ARG 44 0.446 -12.836 7.194 321 HG3 ARG 44 2HG ARG 44 -0.678 -12.372 5.933 322 HD2 ARG 44 1HD ARG 44 -1.128 -14.689 6.326 323 HD3 ARG 44 2HD ARG 44 -0.205 -14.662 4.837 324 HE ARG 44 HE ARG 44 1.602 -14.887 7.063 325 HH11 ARG 44 2HH2 ARG 44 -0.768 -16.769 5.267 326 HH12 ARG 44 1HH2 ARG 44 -0.025 -18.290 5.632 327 HH21 ARG 44 2HH1 ARG 44 2.582 -16.894 7.545 328 HH22 ARG 44 1HH1 ARG 44 1.893 -18.362 6.937 329 H ASN 45 H ASN 45 4.202 -12.641 5.329 330 HA ASN 45 HA ASN 45 5.200 -10.510 3.607 331 HB2 ASN 45 1HB ASN 45 6.424 -11.983 5.816 332 HB3 ASN 45 2HB ASN 45 7.338 -12.273 4.349 333 HD21 ASN 45 1HD2 ASN 45 6.943 -9.911 2.979 334 HD22 ASN 45 2HD2 ASN 45 7.721 -8.599 3.798 335 H GLU 46 H GLU 46 4.566 -11.292 1.545 336 HA GLU 46 HA GLU 46 4.809 -14.095 1.012 337 HB2 GLU 46 1HB GLU 46 3.429 -11.787 -0.164 338 HB3 GLU 46 2HB GLU 46 4.194 -12.770 -1.396 339 HG2 GLU 46 1HG GLU 46 2.450 -13.966 0.802 340 HG3 GLU 46 2HG GLU 46 1.794 -13.434 -0.734 341 H MET 47 H MET 47 5.901 -14.778 -1.147 342 HA MET 47 HA MET 47 8.420 -14.804 -1.168 343 HB2 MET 47 1HB MET 47 6.669 -14.052 -3.560 344 HB3 MET 47 2HB MET 47 8.369 -14.422 -3.770 345 HG2 MET 47 1HG MET 47 6.902 -16.422 -2.126 346 HG3 MET 47 2HG MET 47 6.321 -16.299 -3.774 347 HE1 MET 47 1HE MET 47 8.220 -17.969 -1.538 348 HE2 MET 47 2HE MET 47 9.584 -18.749 -2.374 349 HE3 MET 47 3HE MET 47 9.791 -17.139 -1.643 350 H ASP 48 H ASP 48 6.813 -11.914 -2.696 351 HA ASP 48 HA ASP 48 8.896 -10.279 -1.607 352 HB2 ASP 48 1HB ASP 48 8.353 -10.111 -4.593 353 HB3 ASP 48 2HB ASP 48 9.662 -9.368 -3.696 354 H SER 49 H SER 49 5.872 -10.770 -1.516 355 HA SER 49 HA SER 49 5.109 -8.050 -2.221 356 HB2 SER 49 1HB SER 49 3.542 -10.615 -2.703 357 HB3 SER 49 2HB SER 49 2.775 -9.039 -2.700 358 HG SER 49 HG SER 49 3.519 -8.674 -4.671 359 H VAL 50 H VAL 50 3.331 -7.172 -0.846 360 HA VAL 50 HA VAL 50 3.331 -8.498 1.771 361 HB VAL 50 HB VAL 50 3.143 -5.632 0.878 362 HG11 VAL 50 1HG1 VAL 50 1.310 -6.122 2.524 363 HG12 VAL 50 2HG1 VAL 50 2.563 -6.604 3.693 364 HG13 VAL 50 3HG1 VAL 50 2.507 -4.931 3.087 365 HG21 VAL 50 1HG2 VAL 50 4.992 -5.321 2.450 366 HG22 VAL 50 2HG2 VAL 50 4.895 -7.033 2.927 367 HG23 VAL 50 3HG2 VAL 50 5.378 -6.596 1.270 368 H ILE 51 H ILE 51 1.526 -9.662 2.168 369 HA ILE 51 HA ILE 51 -0.980 -8.614 1.044 370 HB ILE 51 HB ILE 51 -0.033 -11.448 1.439 371 HG12 ILE 51 1HG1 ILE 51 -0.721 -11.545 -1.018 372 HG13 ILE 51 2HG1 ILE 51 -0.814 -9.796 -0.972 373 HG21 ILE 51 1HG2 ILE 51 -2.151 -11.900 2.038 374 HG22 ILE 51 2HG2 ILE 51 -2.776 -10.357 1.410 375 HG23 ILE 51 3HG2 ILE 51 -2.484 -11.717 0.299 376 HD11 ILE 51 1HD1 ILE 51 1.681 -10.969 0.180 377 HD12 ILE 51 2HD1 ILE 51 1.469 -11.159 -1.577 378 HD13 ILE 51 3HD1 ILE 51 1.469 -9.534 -0.851 379 H ILE 52 H ILE 52 -2.834 -8.612 2.396 380 HA ILE 52 HA ILE 52 -2.268 -8.133 5.103 381 HB ILE 52 HB ILE 52 -4.911 -8.619 3.723 382 HG12 ILE 52 1HG1 ILE 52 -3.559 -6.830 2.671 383 HG13 ILE 52 2HG1 ILE 52 -5.042 -6.242 3.396 384 HG21 ILE 52 1HG2 ILE 52 -5.981 -8.086 5.615 385 HG22 ILE 52 2HG2 ILE 52 -4.454 -8.518 6.422 386 HG23 ILE 52 3HG2 ILE 52 -4.809 -6.816 6.041 387 HD11 ILE 52 1HD1 ILE 52 -2.899 -6.209 5.373 388 HD12 ILE 52 2HD1 ILE 52 -2.409 -5.325 3.907 389 HD13 ILE 52 3HD1 ILE 52 -3.893 -4.859 4.773 390 H SER 53 H SER 53 -2.665 -9.357 6.979 391 HA SER 53 HA SER 53 -3.046 -12.190 6.400 392 HB2 SER 53 1HB SER 53 -1.411 -12.713 7.922 393 HB3 SER 53 2HB SER 53 -0.855 -11.094 7.548 394 HG SER 53 HG SER 53 -1.201 -10.563 9.584 395 H ARG 54 H ARG 54 -3.675 -9.535 8.790 396 HA ARG 54 HA ARG 54 -6.253 -10.690 9.248 397 HB2 ARG 54 1HB ARG 54 -4.909 -11.828 10.976 398 HB3 ARG 54 2HB ARG 54 -4.216 -10.305 11.497 399 HG2 ARG 54 1HG ARG 54 -6.355 -9.514 12.336 400 HG3 ARG 54 2HG ARG 54 -7.218 -10.833 11.570 401 HD2 ARG 54 1HD ARG 54 -5.238 -12.077 13.198 402 HD3 ARG 54 2HD ARG 54 -5.889 -10.776 14.174 403 HE ARG 54 HE ARG 54 -7.985 -12.299 12.832 404 HH11 ARG 54 2HH2 ARG 54 -5.869 -12.228 15.643 405 HH12 ARG 54 1HH2 ARG 54 -6.911 -13.216 16.612 406 HH21 ARG 54 2HH1 ARG 54 -9.360 -13.602 14.110 407 HH22 ARG 54 1HH1 ARG 54 -8.910 -14.003 15.734 408 H ILE 55 H ILE 55 -7.619 -9.145 10.681 409 HA ILE 55 HA ILE 55 -6.606 -6.403 10.389 410 HB ILE 55 HB ILE 55 -9.379 -7.472 9.864 411 HG12 ILE 55 1HG1 ILE 55 -7.926 -7.875 8.000 412 HG13 ILE 55 2HG1 ILE 55 -8.988 -6.541 7.595 413 HG21 ILE 55 1HG2 ILE 55 -8.963 -5.114 11.074 414 HG22 ILE 55 2HG2 ILE 55 -8.741 -4.611 9.381 415 HG23 ILE 55 3HG2 ILE 55 -10.261 -5.387 9.887 416 HD11 ILE 55 1HD1 ILE 55 -7.079 -5.439 7.012 417 HD12 ILE 55 2HD1 ILE 55 -6.839 -5.219 8.762 418 HD13 ILE 55 3HD1 ILE 55 -6.049 -6.573 7.918 419 H VAL 56 H VAL 56 -6.324 -5.426 12.314 420 HA VAL 56 HA VAL 56 -7.503 -6.632 14.651 421 HB VAL 56 HB VAL 56 -5.799 -4.148 14.448 422 HG11 VAL 56 1HG1 VAL 56 -5.249 -4.531 16.722 423 HG12 VAL 56 2HG1 VAL 56 -7.014 -4.737 16.611 424 HG13 VAL 56 3HG1 VAL 56 -5.955 -6.165 16.701 425 HG21 VAL 56 1HG2 VAL 56 -4.175 -6.323 15.200 426 HG22 VAL 56 2HG2 VAL 56 -5.099 -6.876 13.782 427 HG23 VAL 56 3HG2 VAL 56 -4.115 -5.396 13.681 428 H LYS 57 H LYS 57 -9.088 -5.725 15.985 429 HA LYS 57 HA LYS 57 -10.811 -3.858 14.655 430 HB2 LYS 57 1HB LYS 57 -11.981 -5.555 15.725 431 HB3 LYS 57 2HB LYS 57 -10.944 -5.542 17.137 432 HG2 LYS 57 1HG LYS 57 -12.248 -2.935 16.735 433 HG3 LYS 57 2HG LYS 57 -13.425 -4.227 16.862 434 HD2 LYS 57 1HD LYS 57 -11.134 -3.921 18.850 435 HD3 LYS 57 2HD LYS 57 -12.673 -3.113 19.072 436 HE2 LYS 57 1HE LYS 57 -13.303 -5.829 18.451 437 HE3 LYS 57 2HE LYS 57 -11.978 -5.896 19.595 438 HZ1 LYS 57 1HZ LYS 57 -13.257 -5.074 21.201 439 HZ2 LYS 57 2HZ LYS 57 -14.004 -3.981 20.244 440 HZ3 LYS 57 3HZ LYS 57 -14.517 -5.532 20.268 441 H GLY 58 H GLY 58 -10.926 -1.683 14.947 442 HA2 GLY 58 1HA GLY 58 -10.875 0.187 16.427 443 HA3 GLY 58 2HA GLY 58 -9.553 -0.557 17.305 444 H GLY 59 H GLY 59 -8.579 -1.442 14.383 445 HA2 GLY 59 1HA GLY 59 -6.666 0.649 14.124 446 HA3 GLY 59 2HA GLY 59 -6.898 -0.725 13.060 447 H ALA 60 H ALA 60 -6.274 1.787 11.986 448 HA ALA 60 HA ALA 60 -8.639 3.197 11.262 449 HB1 ALA 60 1HB ALA 60 -7.082 4.442 9.796 450 HB2 ALA 60 2HB ALA 60 -6.430 4.272 11.443 451 HB3 ALA 60 3HB ALA 60 -5.811 3.241 10.131 452 H ALA 61 H ALA 61 -6.818 0.422 10.033 453 HA ALA 61 HA ALA 61 -7.801 0.518 7.392 454 HB1 ALA 61 1HB ALA 61 -7.134 -2.103 8.648 455 HB2 ALA 61 2HB ALA 61 -6.550 -1.380 7.130 456 HB3 ALA 61 3HB ALA 61 -5.860 -0.861 8.686 457 H GLU 62 H GLU 62 -8.875 -1.159 10.413 458 HA GLU 62 HA GLU 62 -10.930 -2.569 9.248 459 HB2 GLU 62 1HB GLU 62 -10.349 -3.222 11.433 460 HB3 GLU 62 2HB GLU 62 -10.356 -1.579 12.043 461 HG2 GLU 62 1HG GLU 62 -12.699 -1.503 12.232 462 HG3 GLU 62 2HG GLU 62 -12.948 -2.715 10.992 463 H LYS 63 H LYS 63 -11.289 0.424 11.295 464 HA LYS 63 HA LYS 63 -13.866 0.980 10.847 465 HB2 LYS 63 1HB LYS 63 -11.445 2.614 11.368 466 HB3 LYS 63 2HB LYS 63 -12.840 3.493 10.774 467 HG2 LYS 63 1HG LYS 63 -13.850 3.348 12.798 468 HG3 LYS 63 2HG LYS 63 -13.753 1.599 12.760 469 HD2 LYS 63 1HD LYS 63 -11.167 2.117 13.379 470 HD3 LYS 63 2HD LYS 63 -11.878 3.581 14.029 471 HE2 LYS 63 1HE LYS 63 -11.795 1.855 15.782 472 HE3 LYS 63 2HE LYS 63 -13.465 2.217 15.393 473 HZ1 LYS 63 1HZ LYS 63 -13.748 0.212 14.458 474 HZ2 LYS 63 2HZ LYS 63 -12.227 0.100 13.875 475 HZ3 LYS 63 3HZ LYS 63 -12.524 -0.218 15.449 476 H SER 64 H SER 64 -11.158 2.094 8.692 477 HA SER 64 HA SER 64 -12.830 3.216 6.810 478 HB2 SER 64 1HB SER 64 -10.893 3.364 5.417 479 HB3 SER 64 2HB SER 64 -10.303 3.494 7.062 480 HG SER 64 HG SER 64 -8.997 1.890 6.506 481 H GLY 65 H GLY 65 -11.585 -0.126 7.244 482 HA2 GLY 65 1HA GLY 65 -12.225 -2.082 6.341 483 HA3 GLY 65 2HA GLY 65 -13.713 -1.305 5.837 484 H LEU 66 H LEU 66 -10.349 -0.389 4.893 485 HA LEU 66 HA LEU 66 -11.150 -0.859 2.116 486 HB2 LEU 66 1HB LEU 66 -8.790 0.746 3.076 487 HB3 LEU 66 2HB LEU 66 -9.535 0.750 1.490 488 HG LEU 66 HG LEU 66 -10.595 1.947 4.052 489 HD11 LEU 66 1HD1 LEU 66 -10.659 3.542 1.605 490 HD12 LEU 66 2HD1 LEU 66 -9.989 3.921 3.209 491 HD13 LEU 66 3HD1 LEU 66 -9.021 2.996 2.037 492 HD21 LEU 66 1HD2 LEU 66 -12.679 2.463 2.964 493 HD22 LEU 66 2HD2 LEU 66 -12.133 1.693 1.454 494 HD23 LEU 66 3HD2 LEU 66 -12.416 0.704 2.906 495 H LEU 67 H LEU 67 -9.277 -2.120 4.726 496 HA LEU 67 HA LEU 67 -7.558 -3.565 2.842 497 HB2 LEU 67 1HB LEU 67 -7.307 -2.937 5.778 498 HB3 LEU 67 2HB LEU 67 -6.319 -4.151 4.990 499 HG LEU 67 HG LEU 67 -5.017 -2.184 5.083 500 HD11 LEU 67 1HD1 LEU 67 -5.915 -1.810 2.278 501 HD12 LEU 67 2HD1 LEU 67 -4.291 -2.110 2.942 502 HD13 LEU 67 3HD1 LEU 67 -5.439 -3.457 2.756 503 HD21 LEU 67 1HD2 LEU 67 -5.848 -0.128 5.173 504 HD22 LEU 67 2HD2 LEU 67 -6.575 -0.291 3.556 505 HD23 LEU 67 3HD2 LEU 67 -7.474 -0.829 4.995 506 H HIS 68 H HIS 68 -7.832 -5.725 2.507 507 HA HIS 68 HA HIS 68 -9.536 -7.134 4.414 508 HB2 HIS 68 1HB HIS 68 -9.846 -7.160 1.400 509 HB3 HIS 68 2HB HIS 68 -10.649 -8.274 2.489 510 HD1 HIS 68 1HD HIS 68 -11.712 -5.698 0.571 511 HD2 HIS 68 2HD HIS 68 -11.792 -6.178 4.737 512 HE1 HIS 68 1HE HIS 68 -13.550 -4.152 1.433 513 H GLU 69 H GLU 69 -8.820 -9.186 4.928 514 HA GLU 69 HA GLU 69 -6.244 -9.847 4.542 515 HB2 GLU 69 1HB GLU 69 -8.614 -11.729 4.922 516 HB3 GLU 69 2HB GLU 69 -6.941 -12.196 5.151 517 HG2 GLU 69 1HG GLU 69 -6.664 -10.547 6.953 518 HG3 GLU 69 2HG GLU 69 -8.260 -9.887 6.653 519 H GLY 70 H GLY 70 -5.066 -10.268 2.729 520 HA2 GLY 70 1HA GLY 70 -4.728 -11.926 0.980 521 HA3 GLY 70 2HA GLY 70 -6.415 -11.740 0.545 522 H ASP 71 H ASP 71 -5.624 -8.666 1.432 523 HA ASP 71 HA ASP 71 -5.440 -7.846 -1.262 524 HB2 ASP 71 1HB ASP 71 -5.749 -6.603 1.416 525 HB3 ASP 71 2HB ASP 71 -4.838 -5.610 0.296 526 H GLU 72 H GLU 72 -3.517 -7.582 -2.412 527 HA GLU 72 HA GLU 72 -1.068 -7.683 -0.882 528 HB2 GLU 72 1HB GLU 72 -1.312 -9.252 -2.766 529 HB3 GLU 72 2HB GLU 72 -1.602 -7.926 -3.875 530 HG2 GLU 72 1HG GLU 72 0.664 -7.047 -3.512 531 HG3 GLU 72 2HG GLU 72 0.963 -8.219 -2.244 532 H VAL 73 H VAL 73 0.221 -5.909 -0.547 533 HA VAL 73 HA VAL 73 -0.564 -3.467 -1.961 534 HB VAL 73 HB VAL 73 -0.708 -2.823 0.177 535 HG11 VAL 73 1HG1 VAL 73 1.268 -5.004 0.923 536 HG12 VAL 73 2HG1 VAL 73 0.472 -3.911 2.081 537 HG13 VAL 73 3HG1 VAL 73 -0.501 -5.046 1.115 538 HG21 VAL 73 1HG2 VAL 73 1.076 -1.514 0.777 539 HG22 VAL 73 2HG2 VAL 73 2.269 -2.797 0.464 540 HG23 VAL 73 3HG2 VAL 73 1.548 -1.901 -0.895 541 H LEU 74 H LEU 74 0.910 -2.310 -3.197 542 HA LEU 74 HA LEU 74 3.573 -3.534 -3.411 543 HB2 LEU 74 1HB LEU 74 2.288 -2.189 -5.745 544 HB3 LEU 74 2HB LEU 74 3.536 -3.419 -5.704 545 HG LEU 74 HG LEU 74 0.687 -4.008 -4.889 546 HD11 LEU 74 1HD1 LEU 74 1.205 -5.047 -7.483 547 HD12 LEU 74 2HD1 LEU 74 -0.017 -3.852 -6.983 548 HD13 LEU 74 3HD1 LEU 74 1.596 -3.310 -7.505 549 HD21 LEU 74 1HD2 LEU 74 1.268 -6.303 -5.255 550 HD22 LEU 74 2HD2 LEU 74 2.854 -5.852 -5.925 551 HD23 LEU 74 3HD2 LEU 74 2.505 -5.576 -4.201 552 H GLU 75 H GLU 75 1.534 -0.574 -3.637 553 HA GLU 75 HA GLU 75 3.916 0.901 -2.868 554 HB2 GLU 75 1HB GLU 75 2.482 1.139 -5.387 555 HB3 GLU 75 2HB GLU 75 2.356 2.644 -4.497 556 HG2 GLU 75 1HG GLU 75 4.760 2.864 -4.329 557 HG3 GLU 75 2HG GLU 75 5.021 1.211 -4.851 558 H ILE 76 H ILE 76 3.523 2.682 -1.453 559 HA ILE 76 HA ILE 76 0.722 3.086 -0.709 560 HB ILE 76 HB ILE 76 3.007 2.373 1.118 561 HG12 ILE 76 1HG1 ILE 76 0.368 1.134 0.386 562 HG13 ILE 76 2HG1 ILE 76 1.960 0.405 0.438 563 HG21 ILE 76 1HG2 ILE 76 0.482 2.954 2.452 564 HG22 ILE 76 2HG2 ILE 76 2.136 3.483 2.841 565 HG23 ILE 76 3HG2 ILE 76 1.171 4.385 1.648 566 HD11 ILE 76 1HD1 ILE 76 1.110 -0.444 2.419 567 HD12 ILE 76 2HD1 ILE 76 1.784 1.081 3.043 568 HD13 ILE 76 3HD1 ILE 76 0.045 0.958 2.684 569 H ASN 77 H ASN 77 0.414 5.144 -1.427 570 HA ASN 77 HA ASN 77 0.562 7.313 -1.447 571 HB2 ASN 77 1HB ASN 77 2.068 6.650 0.963 572 HB3 ASN 77 2HB ASN 77 2.836 8.011 0.169 573 HD21 ASN 77 1HD2 ASN 77 1.667 8.268 2.622 574 HD22 ASN 77 2HD2 ASN 77 0.251 9.262 2.535 575 H GLY 78 H GLY 78 2.679 5.186 -2.668 576 HA2 GLY 78 1HA GLY 78 3.802 5.909 -4.711 577 HA3 GLY 78 2HA GLY 78 4.473 7.250 -3.803 578 H ILE 79 H ILE 79 4.762 5.402 -1.338 579 HA ILE 79 HA ILE 79 7.427 4.621 -1.910 580 HB ILE 79 HB ILE 79 5.630 4.157 0.471 581 HG12 ILE 79 1HG1 ILE 79 7.705 5.925 1.109 582 HG13 ILE 79 2HG1 ILE 79 7.175 6.433 -0.482 583 HG21 ILE 79 1HG2 ILE 79 8.602 3.967 0.664 584 HG22 ILE 79 2HG2 ILE 79 7.333 3.181 1.633 585 HG23 ILE 79 3HG2 ILE 79 7.708 2.579 0.000 586 HD11 ILE 79 1HD1 ILE 79 5.940 7.408 1.603 587 HD12 ILE 79 2HD1 ILE 79 4.952 6.838 0.237 588 HD13 ILE 79 3HD1 ILE 79 5.140 5.820 1.685 589 H GLU 80 H GLU 80 8.227 2.707 -2.633 590 HA GLU 80 HA GLU 80 6.336 0.757 -3.446 591 HB2 GLU 80 1HB GLU 80 8.148 1.089 -4.942 592 HB3 GLU 80 2HB GLU 80 9.343 1.052 -3.661 593 HG2 GLU 80 1HG GLU 80 8.811 -1.384 -3.274 594 HG3 GLU 80 2HG GLU 80 7.683 -1.330 -4.614 595 H ILE 81 H ILE 81 5.549 -0.862 -2.177 596 HA ILE 81 HA ILE 81 6.981 -1.478 0.272 597 HB ILE 81 HB ILE 81 4.275 -2.390 -0.712 598 HG12 ILE 81 1HG1 ILE 81 5.172 0.145 0.416 599 HG13 ILE 81 2HG1 ILE 81 3.655 -0.272 -0.355 600 HG21 ILE 81 1HG2 ILE 81 5.251 -3.904 0.938 601 HG22 ILE 81 2HG2 ILE 81 5.539 -2.536 2.039 602 HG23 ILE 81 3HG2 ILE 81 3.874 -3.006 1.621 603 HD11 ILE 81 1HD1 ILE 81 4.368 -0.995 2.524 604 HD12 ILE 81 2HD1 ILE 81 3.374 0.402 2.046 605 HD13 ILE 81 3HD1 ILE 81 2.797 -1.251 1.728 606 H ARG 82 H ARG 82 6.368 -2.742 -2.958 607 HA ARG 82 HA ARG 82 6.574 -5.381 -2.640 608 HB2 ARG 82 1HB ARG 82 6.619 -3.728 -4.786 609 HB3 ARG 82 2HB ARG 82 8.320 -4.150 -4.772 610 HG2 ARG 82 1HG ARG 82 7.758 -6.048 -5.885 611 HG3 ARG 82 2HG ARG 82 7.045 -6.622 -4.391 612 HD2 ARG 82 1HD ARG 82 4.848 -5.804 -5.008 613 HD3 ARG 82 2HD ARG 82 5.493 -4.858 -6.334 614 HE ARG 82 HE ARG 82 6.010 -7.759 -6.511 615 HH11 ARG 82 2HH2 ARG 82 3.907 -5.087 -7.419 616 HH12 ARG 82 1HH2 ARG 82 3.214 -5.924 -8.768 617 HH21 ARG 82 2HH1 ARG 82 5.096 -8.863 -8.290 618 HH22 ARG 82 1HH1 ARG 82 3.895 -8.087 -9.267 619 H GLY 83 H GLY 83 7.954 -6.442 -1.227 620 HA2 GLY 83 1HA GLY 83 10.131 -7.418 -1.063 621 HA3 GLY 83 2HA GLY 83 10.839 -5.881 -1.516 622 H LYS 84 H LYS 84 8.883 -4.317 0.193 623 HA LYS 84 HA LYS 84 10.440 -4.114 2.472 624 HB2 LYS 84 1HB LYS 84 7.640 -3.205 1.795 625 HB3 LYS 84 2HB LYS 84 8.366 -2.865 3.352 626 HG2 LYS 84 1HG LYS 84 10.378 -2.191 1.481 627 HG3 LYS 84 2HG LYS 84 8.894 -1.618 0.746 628 HD2 LYS 84 1HD LYS 84 8.758 -0.924 3.528 629 HD3 LYS 84 2HD LYS 84 10.364 -0.487 2.978 630 HE2 LYS 84 1HE LYS 84 9.209 1.446 2.384 631 HE3 LYS 84 2HE LYS 84 9.044 0.539 0.894 632 HZ1 LYS 84 1HZ LYS 84 6.993 -0.230 2.585 633 HZ2 LYS 84 2HZ LYS 84 7.035 1.402 2.599 634 HZ3 LYS 84 3HZ LYS 84 6.880 0.601 1.184 635 H ASP 85 H ASP 85 10.367 -4.995 4.532 636 HA ASP 85 HA ASP 85 9.050 -7.497 4.686 637 HB2 ASP 85 1HB ASP 85 11.304 -7.027 5.686 638 HB3 ASP 85 2HB ASP 85 10.565 -5.899 6.805 639 H VAL 86 H VAL 86 7.835 -7.975 6.938 640 HA VAL 86 HA VAL 86 5.528 -6.414 6.987 641 HB VAL 86 HB VAL 86 4.991 -7.725 9.002 642 HG11 VAL 86 1HG1 VAL 86 4.300 -9.084 7.353 643 HG12 VAL 86 2HG1 VAL 86 5.780 -8.828 6.398 644 HG13 VAL 86 3HG1 VAL 86 5.760 -10.039 7.703 645 HG21 VAL 86 1HG2 VAL 86 6.634 -9.516 9.694 646 HG22 VAL 86 2HG2 VAL 86 7.868 -8.647 8.751 647 HG23 VAL 86 3HG2 VAL 86 7.088 -7.854 10.140 648 H ASN 87 H ASN 87 8.397 -6.520 9.197 649 HA ASN 87 HA ASN 87 7.427 -4.632 10.958 650 HB2 ASN 87 1HB ASN 87 9.795 -6.152 10.622 651 HB3 ASN 87 2HB ASN 87 10.351 -4.491 10.569 652 HD21 ASN 87 1HD2 ASN 87 8.067 -6.552 12.365 653 HD22 ASN 87 2HD2 ASN 87 8.409 -5.935 13.947 654 H GLU 88 H GLU 88 9.497 -4.404 7.988 655 HA GLU 88 HA GLU 88 10.169 -1.776 8.129 656 HB2 GLU 88 1HB GLU 88 9.989 -3.844 6.042 657 HB3 GLU 88 2HB GLU 88 9.736 -2.235 5.395 658 HG2 GLU 88 1HG GLU 88 12.074 -2.924 7.231 659 HG3 GLU 88 2HG GLU 88 12.175 -3.043 5.485 660 H VAL 89 H VAL 89 7.235 -3.248 6.575 661 HA VAL 89 HA VAL 89 6.128 -0.860 5.691 662 HB VAL 89 HB VAL 89 5.039 -3.568 6.411 663 HG11 VAL 89 1HG1 VAL 89 3.196 -2.139 6.932 664 HG12 VAL 89 2HG1 VAL 89 3.467 -1.149 5.477 665 HG13 VAL 89 3HG1 VAL 89 2.885 -2.824 5.318 666 HG21 VAL 89 1HG2 VAL 89 5.926 -2.147 3.961 667 HG22 VAL 89 2HG2 VAL 89 5.997 -3.876 4.379 668 HG23 VAL 89 3HG2 VAL 89 4.475 -3.164 3.793 669 H PHE 90 H PHE 90 5.194 -2.784 8.638 670 HA PHE 90 HA PHE 90 3.478 -1.072 9.770 671 HB2 PHE 90 1HB PHE 90 5.801 -2.688 10.972 672 HB3 PHE 90 2HB PHE 90 4.545 -1.987 11.973 673 HD1 PHE 90 1HD PHE 90 2.153 -2.516 10.270 674 HD2 PHE 90 2HD PHE 90 5.468 -4.983 11.234 675 HE1 PHE 90 1HE PHE 90 0.735 -4.557 9.922 676 HE2 PHE 90 2HE PHE 90 4.050 -7.024 10.886 677 HZ PHE 90 HZ PHE 90 1.701 -6.787 10.234 678 H ASP 91 H ASP 91 7.038 -0.725 9.623 679 HA ASP 91 HA ASP 91 7.129 1.351 11.510 680 HB2 ASP 91 1HB ASP 91 8.964 -0.204 10.015 681 HB3 ASP 91 2HB ASP 91 9.245 1.438 9.472 682 H LEU 92 H LEU 92 7.225 1.151 7.878 683 HA LEU 92 HA LEU 92 7.576 3.740 7.209 684 HB2 LEU 92 1HB LEU 92 6.083 1.461 6.020 685 HB3 LEU 92 2HB LEU 92 5.792 3.051 5.341 686 HG LEU 92 HG LEU 92 7.727 1.367 4.499 687 HD11 LEU 92 1HD1 LEU 92 6.863 3.561 3.532 688 HD12 LEU 92 2HD1 LEU 92 8.164 4.354 4.452 689 HD13 LEU 92 3HD1 LEU 92 8.563 3.146 3.207 690 HD21 LEU 92 1HD2 LEU 92 8.828 1.707 6.813 691 HD22 LEU 92 2HD2 LEU 92 9.845 1.799 5.355 692 HD23 LEU 92 3HD2 LEU 92 9.324 3.292 6.172 693 H LEU 93 H LEU 93 4.240 2.314 7.401 694 HA LEU 93 HA LEU 93 2.854 4.633 7.371 695 HB2 LEU 93 1HB LEU 93 2.248 2.141 8.970 696 HB3 LEU 93 2HB LEU 93 1.095 3.410 8.605 697 HG LEU 93 HG LEU 93 2.511 1.718 6.526 698 HD11 LEU 93 1HD1 LEU 93 -0.169 1.424 7.870 699 HD12 LEU 93 2HD1 LEU 93 0.130 0.781 6.237 700 HD13 LEU 93 3HD1 LEU 93 1.104 0.207 7.612 701 HD21 LEU 93 1HD2 LEU 93 1.267 4.200 6.245 702 HD22 LEU 93 2HD2 LEU 93 1.672 3.045 4.952 703 HD23 LEU 93 3HD2 LEU 93 0.054 3.020 5.694 704 H SER 94 H SER 94 4.205 2.986 10.307 705 HA SER 94 HA SER 94 3.300 4.578 12.226 706 HB2 SER 94 1HB SER 94 5.446 2.756 11.918 707 HB3 SER 94 2HB SER 94 6.176 4.193 12.606 708 HG SER 94 HG SER 94 3.791 2.950 13.678 709 H ASP 95 H ASP 95 6.090 5.280 10.029 710 HA ASP 95 HA ASP 95 6.668 7.731 11.273 711 HB2 ASP 95 1HB ASP 95 7.944 6.090 9.468 712 HB3 ASP 95 2HB ASP 95 7.378 7.353 8.393 713 H MET 96 H MET 96 4.691 6.603 8.488 714 HA MET 96 HA MET 96 4.157 9.248 7.590 715 HB2 MET 96 1HB MET 96 2.749 6.600 6.935 716 HB3 MET 96 2HB MET 96 2.651 8.068 5.984 717 HG2 MET 96 1HG MET 96 5.363 7.782 6.042 718 HG3 MET 96 2HG MET 96 4.908 6.099 6.212 719 HE1 MET 96 1HE MET 96 2.440 5.736 5.112 720 HE2 MET 96 2HE MET 96 2.131 6.061 3.389 721 HE3 MET 96 3HE MET 96 3.297 4.802 3.862 722 H HIS 97 H HIS 97 1.684 9.834 7.204 723 HA HIS 97 HA HIS 97 -0.212 8.851 8.994 724 HB2 HIS 97 1HB HIS 97 -0.260 11.162 10.310 725 HB3 HIS 97 2HB HIS 97 0.628 9.765 10.885 726 HD1 HIS 97 1HD HIS 97 1.518 12.562 8.395 727 HD2 HIS 97 2HD HIS 97 3.047 10.619 11.783 728 HE1 HIS 97 1HE HIS 97 3.794 13.618 8.858 729 H GLY 98 H GLY 98 -2.283 9.933 8.714 730 HA2 GLY 98 1HA GLY 98 -3.603 11.648 7.792 731 HA3 GLY 98 2HA GLY 98 -2.306 12.066 6.690 732 H THR 99 H THR 99 -4.181 11.933 5.086 733 HA THR 99 HA THR 99 -5.324 9.412 4.499 734 HB THR 99 HB THR 99 -5.009 11.727 2.549 735 HG1 THR 99 1HG THR 99 -6.560 11.398 5.014 736 HG21 THR 99 1HG2 THR 99 -6.408 9.826 1.798 737 HG22 THR 99 2HG2 THR 99 -7.303 9.854 3.337 738 HG23 THR 99 3HG2 THR 99 -7.456 11.209 2.193 739 H LEU 100 H LEU 100 -3.922 7.732 4.204 740 HA LEU 100 HA LEU 100 -1.761 8.150 2.290 741 HB2 LEU 100 1HB LEU 100 -2.200 5.625 3.833 742 HB3 LEU 100 2HB LEU 100 -0.711 6.312 3.216 743 HG LEU 100 HG LEU 100 -1.597 8.214 5.052 744 HD11 LEU 100 1HD1 LEU 100 -2.245 5.430 6.024 745 HD12 LEU 100 2HD1 LEU 100 -1.859 6.766 7.136 746 HD13 LEU 100 3HD1 LEU 100 -3.264 6.890 6.049 747 HD21 LEU 100 1HD2 LEU 100 0.241 6.553 6.389 748 HD22 LEU 100 2HD2 LEU 100 0.625 6.423 4.656 749 HD23 LEU 100 3HD2 LEU 100 0.577 8.021 5.440 750 H THR 101 H THR 101 -1.675 7.144 0.296 751 HA THR 101 HA THR 101 -4.176 5.878 -0.534 752 HB THR 101 HB THR 101 -1.783 6.852 -2.178 753 HG1 THR 101 1HG THR 101 -2.861 8.839 -2.057 754 HG21 THR 101 1HG2 THR 101 -3.571 7.127 -3.934 755 HG22 THR 101 2HG2 THR 101 -3.354 5.424 -3.465 756 HG23 THR 101 3HG2 THR 101 -4.735 6.352 -2.833 757 H PHE 102 H PHE 102 -4.251 3.756 -0.034 758 HA PHE 102 HA PHE 102 -1.837 2.193 -0.218 759 HB2 PHE 102 1HB PHE 102 -4.749 1.873 0.621 760 HB3 PHE 102 2HB PHE 102 -3.822 0.419 0.313 761 HD1 PHE 102 1HD PHE 102 -3.972 3.459 2.413 762 HD2 PHE 102 2HD PHE 102 -2.264 -0.392 1.900 763 HE1 PHE 102 1HE PHE 102 -3.035 3.565 4.739 764 HE2 PHE 102 2HE PHE 102 -1.327 -0.286 4.227 765 HZ PHE 102 HZ PHE 102 -1.724 1.691 5.618 766 H VAL 103 H VAL 103 -1.150 1.312 -2.105 767 HA VAL 103 HA VAL 103 -3.161 0.864 -4.182 768 HB VAL 103 HB VAL 103 -0.149 0.874 -4.405 769 HG11 VAL 103 1HG1 VAL 103 -2.384 0.462 -6.279 770 HG12 VAL 103 2HG1 VAL 103 -1.184 1.657 -6.826 771 HG13 VAL 103 3HG1 VAL 103 -0.669 0.004 -6.414 772 HG21 VAL 103 1HG2 VAL 103 -1.137 3.212 -5.585 773 HG22 VAL 103 2HG2 VAL 103 -1.991 3.093 -4.028 774 HG23 VAL 103 3HG2 VAL 103 -0.212 3.083 -4.070 775 H LEU 104 H LEU 104 -4.093 -1.104 -3.562 776 HA LEU 104 HA LEU 104 -2.267 -3.372 -3.797 777 HB2 LEU 104 1HB LEU 104 -3.860 -4.375 -1.934 778 HB3 LEU 104 2HB LEU 104 -2.360 -3.547 -1.565 779 HG LEU 104 HG LEU 104 -4.195 -1.477 -1.586 780 HD11 LEU 104 1HD1 LEU 104 -6.243 -2.096 -0.946 781 HD12 LEU 104 2HD1 LEU 104 -5.789 -3.719 -1.519 782 HD13 LEU 104 3HD1 LEU 104 -5.622 -3.305 0.204 783 HD21 LEU 104 1HD2 LEU 104 -2.383 -1.750 0.005 784 HD22 LEU 104 2HD2 LEU 104 -3.924 -1.501 0.861 785 HD23 LEU 104 3HD2 LEU 104 -3.217 -3.131 0.757 786 H ILE 105 H ILE 105 -3.632 -5.473 -4.081 787 HA ILE 105 HA ILE 105 -5.956 -4.770 -5.738 788 HB ILE 105 HB ILE 105 -4.049 -7.075 -6.138 789 HG12 ILE 105 1HG1 ILE 105 -4.075 -4.921 -8.142 790 HG13 ILE 105 2HG1 ILE 105 -3.450 -4.421 -6.582 791 HG21 ILE 105 1HG2 ILE 105 -6.524 -7.156 -6.928 792 HG22 ILE 105 2HG2 ILE 105 -5.983 -6.005 -8.173 793 HG23 ILE 105 3HG2 ILE 105 -5.226 -7.611 -8.057 794 HD11 ILE 105 1HD1 ILE 105 -1.989 -6.547 -6.628 795 HD12 ILE 105 2HD1 ILE 105 -2.462 -6.703 -8.336 796 HD13 ILE 105 3HD1 ILE 105 -1.562 -5.268 -7.790 797 HA PRO 106 HA PRO 106 -8.089 -7.274 -2.910 798 HB2 PRO 106 1HB PRO 106 -10.542 -7.236 -4.114 799 HB3 PRO 106 2HB PRO 106 -9.971 -5.956 -3.062 800 HG2 PRO 106 1HG PRO 106 -10.203 -5.967 -6.009 801 HG3 PRO 106 2HG PRO 106 -10.049 -4.599 -4.925 802 HD2 PRO 106 1HD PRO 106 -7.987 -5.724 -6.571 803 HD3 PRO 106 2HD PRO 106 -7.806 -4.432 -5.402 804 H SER 107 H SER 107 -7.676 -9.364 -2.621 805 HA SER 107 HA SER 107 -7.663 -10.970 -4.980 806 HB2 SER 107 1HB SER 107 -5.912 -11.334 -3.336 807 HB3 SER 107 2HB SER 107 -7.081 -11.554 -2.049 808 HG SER 107 HG SER 107 -7.881 -13.447 -3.401 809 H SER 108 H SER 108 -10.090 -10.496 -5.313 810 HA SER 108 HA SER 108 -12.015 -11.555 -5.541 811 HB2 SER 108 1HB SER 108 -10.726 -13.646 -4.555 812 HB3 SER 108 2HB SER 108 -11.606 -13.276 -3.086 813 HG SER 108 HG SER 108 -13.598 -13.307 -4.492 814 H GLY 109 H GLY 109 -10.728 -10.014 -2.764 815 HA2 GLY 109 1HA GLY 109 -11.893 -8.295 -1.680 816 HA3 GLY 109 2HA GLY 109 -13.413 -9.111 -1.989 817 HA PRO 110 HA PRO 110 -12.911 -10.458 2.153 818 HB2 PRO 110 1HB PRO 110 -15.409 -11.519 2.478 819 HB3 PRO 110 2HB PRO 110 -15.050 -9.820 2.720 820 HG2 PRO 110 1HG PRO 110 -16.442 -11.117 0.457 821 HG3 PRO 110 2HG PRO 110 -16.446 -9.429 0.926 822 HD2 PRO 110 1HD PRO 110 -14.980 -10.605 -1.240 823 HD3 PRO 110 2HD PRO 110 -14.895 -8.940 -0.699 824 H SER 111 H SER 111 -14.120 -12.512 -0.399 825 HA SER 111 HA SER 111 -12.259 -14.474 0.223 826 HB2 SER 111 1HB SER 111 -13.584 -16.230 1.182 827 HB3 SER 111 2HB SER 111 -13.876 -14.805 2.160 828 HG SER 111 HG SER 111 -15.724 -14.665 0.265 829 H SER 112 H SER 112 -12.805 -16.584 -1.119 830 HA SER 112 HA SER 112 -13.554 -15.669 -3.680 831 HB2 SER 112 1HB SER 112 -12.808 -18.402 -2.568 832 HB3 SER 112 2HB SER 112 -13.222 -18.167 -4.255 833 HG SER 112 HG SER 112 -11.051 -17.870 -4.301 834 H GLY 113 H GLY 113 -15.582 -15.676 -4.593 835 HA2 GLY 113 1HA GLY 113 -17.797 -16.731 -3.086 836 HA3 GLY 113 2HA GLY 113 -17.848 -15.858 -4.604 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 25.253 36.209 -19.077 2 HA2 GLY 1 1HA GLY 1 23.250 37.341 -18.919 3 HA3 GLY 1 2HA GLY 1 22.741 35.827 -19.639 4 H SER 2 H SER 2 21.067 37.539 -18.002 5 HA SER 2 HA SER 2 20.871 35.957 -15.569 6 HB2 SER 2 1HB SER 2 19.382 37.834 -14.772 7 HB3 SER 2 2HB SER 2 21.033 38.322 -15.101 8 HG SER 2 HG SER 2 20.332 39.146 -17.175 9 H SER 3 H SER 3 19.493 34.231 -15.835 10 HA SER 3 HA SER 3 16.862 34.821 -16.812 11 HB2 SER 3 1HB SER 3 18.758 32.907 -18.209 12 HB3 SER 3 2HB SER 3 17.025 32.663 -18.292 13 HG SER 3 HG SER 3 16.807 34.807 -19.202 14 H GLY 4 H GLY 4 15.292 33.151 -16.162 15 HA2 GLY 4 1HA GLY 4 16.125 30.810 -14.766 16 HA3 GLY 4 2HA GLY 4 15.686 32.088 -13.651 17 H SER 5 H SER 5 14.529 29.672 -15.890 18 HA SER 5 HA SER 5 12.552 28.896 -16.333 19 HB2 SER 5 1HB SER 5 12.319 29.768 -13.688 20 HB3 SER 5 2HB SER 5 10.928 30.502 -14.460 21 HG SER 5 HG SER 5 10.015 28.562 -14.781 22 H SER 6 H SER 6 11.476 29.432 -18.197 23 HA SER 6 HA SER 6 10.043 31.883 -18.312 24 HB2 SER 6 1HB SER 6 12.431 32.510 -18.964 25 HB3 SER 6 2HB SER 6 12.266 31.455 -20.353 26 HG SER 6 HG SER 6 11.371 34.026 -20.027 27 H GLY 7 H GLY 7 8.126 31.237 -19.216 28 HA2 GLY 7 1HA GLY 7 7.026 30.527 -21.228 29 HA3 GLY 7 2HA GLY 7 8.250 29.292 -21.437 30 HA PRO 8 HA PRO 8 5.274 27.983 -17.955 31 HB2 PRO 8 1HB PRO 8 2.831 29.202 -17.858 32 HB3 PRO 8 2HB PRO 8 4.173 29.664 -16.831 33 HG2 PRO 8 1HG PRO 8 3.090 31.056 -19.203 34 HG3 PRO 8 2HG PRO 8 4.123 31.688 -17.936 35 HD2 PRO 8 1HD PRO 8 4.922 30.942 -20.588 36 HD3 PRO 8 2HD PRO 8 5.971 31.463 -19.285 37 H ILE 9 H ILE 9 5.692 26.519 -19.901 38 HA ILE 9 HA ILE 9 3.289 26.126 -21.450 39 HB ILE 9 HB ILE 9 6.005 24.818 -21.433 40 HG12 ILE 9 1HG1 ILE 9 5.252 26.030 -23.916 41 HG13 ILE 9 2HG1 ILE 9 4.969 27.190 -22.633 42 HG21 ILE 9 1HG2 ILE 9 3.760 24.266 -23.386 43 HG22 ILE 9 2HG2 ILE 9 5.362 23.493 -23.309 44 HG23 ILE 9 3HG2 ILE 9 4.173 23.207 -22.016 45 HD11 ILE 9 1HD1 ILE 9 7.360 27.046 -23.711 46 HD12 ILE 9 2HD1 ILE 9 7.226 27.194 -21.942 47 HD13 ILE 9 3HD1 ILE 9 7.553 25.607 -22.680 48 H THR 10 H THR 10 2.062 24.137 -21.482 49 HA THR 10 HA THR 10 2.009 22.901 -18.833 50 HB THR 10 HB THR 10 -0.005 22.613 -21.108 51 HG1 THR 10 1HG THR 10 -0.866 24.601 -20.258 52 HG21 THR 10 1HG2 THR 10 -0.271 22.675 -18.055 53 HG22 THR 10 2HG2 THR 10 -1.605 22.448 -19.212 54 HG23 THR 10 3HG2 THR 10 -0.344 21.202 -19.052 55 H ASP 11 H ASP 11 1.729 20.564 -18.613 56 HA ASP 11 HA ASP 11 2.569 19.042 -20.897 57 HB2 ASP 11 1HB ASP 11 4.129 19.013 -18.270 58 HB3 ASP 11 2HB ASP 11 4.410 17.927 -19.617 59 H GLU 12 H GLU 12 0.534 17.926 -20.710 60 HA GLU 12 HA GLU 12 -0.297 16.967 -18.166 61 HB2 GLU 12 1HB GLU 12 -1.607 17.613 -20.491 62 HB3 GLU 12 2HB GLU 12 -1.570 15.866 -20.628 63 HG2 GLU 12 1HG GLU 12 -2.575 15.662 -18.347 64 HG3 GLU 12 2HG GLU 12 -2.600 17.408 -18.198 65 H ARG 13 H ARG 13 2.058 15.882 -18.115 66 HA ARG 13 HA ARG 13 1.583 13.136 -18.927 67 HB2 ARG 13 1HB ARG 13 4.279 13.184 -19.146 68 HB3 ARG 13 2HB ARG 13 3.235 13.554 -20.504 69 HG2 ARG 13 1HG ARG 13 4.646 15.412 -20.545 70 HG3 ARG 13 2HG ARG 13 3.338 16.034 -19.560 71 HD2 ARG 13 1HD ARG 13 4.734 16.318 -17.789 72 HD3 ARG 13 2HD ARG 13 5.208 14.631 -17.837 73 HE ARG 13 HE ARG 13 6.646 15.682 -19.929 74 HH11 ARG 13 2HH2 ARG 13 6.263 16.678 -16.576 75 HH12 ARG 13 1HH2 ARG 13 7.836 17.395 -16.476 76 HH21 ARG 13 2HH1 ARG 13 8.722 16.628 -19.798 77 HH22 ARG 13 1HH1 ARG 13 9.244 17.366 -18.321 78 H VAL 14 H VAL 14 1.746 15.173 -16.414 79 HA VAL 14 HA VAL 14 3.416 13.396 -14.776 80 HB VAL 14 HB VAL 14 3.696 15.276 -13.277 81 HG11 VAL 14 1HG1 VAL 14 4.615 16.909 -15.307 82 HG12 VAL 14 2HG1 VAL 14 5.499 15.542 -14.588 83 HG13 VAL 14 3HG1 VAL 14 4.559 15.308 -16.081 84 HG21 VAL 14 1HG2 VAL 14 1.818 16.608 -13.314 85 HG22 VAL 14 2HG2 VAL 14 2.923 17.584 -14.311 86 HG23 VAL 14 3HG2 VAL 14 1.686 16.568 -15.089 87 H TYR 15 H TYR 15 1.765 11.821 -14.441 88 HA TYR 15 HA TYR 15 -0.597 12.833 -13.019 89 HB2 TYR 15 1HB TYR 15 0.165 10.327 -14.625 90 HB3 TYR 15 2HB TYR 15 -1.275 10.339 -13.627 91 HD1 TYR 15 2HD TYR 15 0.272 12.729 -16.087 92 HD2 TYR 15 1HD TYR 15 -3.222 10.594 -14.846 93 HE1 TYR 15 2HE TYR 15 -1.049 13.769 -17.994 94 HE2 TYR 15 1HE TYR 15 -4.531 11.642 -16.757 95 HH TYR 15 HH TYR 15 -3.859 12.590 -19.091 96 H GLU 16 H GLU 16 -1.480 11.065 -11.399 97 HA GLU 16 HA GLU 16 0.785 10.456 -9.697 98 HB2 GLU 16 1HB GLU 16 -1.523 11.747 -9.093 99 HB3 GLU 16 2HB GLU 16 -2.033 10.111 -8.731 100 HG2 GLU 16 1HG GLU 16 0.555 10.324 -7.593 101 HG3 GLU 16 2HG GLU 16 -0.215 11.856 -7.233 102 H SER 17 H SER 17 -1.066 8.518 -8.170 103 HA SER 17 HA SER 17 -0.112 6.211 -9.382 104 HB2 SER 17 1HB SER 17 -1.865 5.122 -7.754 105 HB3 SER 17 2HB SER 17 -0.494 5.987 -7.087 106 HG SER 17 HG SER 17 -1.781 7.572 -6.352 107 H ILE 18 H ILE 18 -0.838 5.271 -11.252 108 HA ILE 18 HA ILE 18 -3.578 5.837 -12.070 109 HB ILE 18 HB ILE 18 -1.174 4.752 -13.535 110 HG12 ILE 18 1HG1 ILE 18 -2.317 7.104 -14.692 111 HG13 ILE 18 2HG1 ILE 18 -2.102 7.398 -12.978 112 HG21 ILE 18 1HG2 ILE 18 -3.109 5.399 -15.421 113 HG22 ILE 18 2HG2 ILE 18 -2.593 3.765 -14.937 114 HG23 ILE 18 3HG2 ILE 18 -4.007 4.519 -14.161 115 HD11 ILE 18 1HD1 ILE 18 0.278 6.442 -13.236 116 HD12 ILE 18 2HD1 ILE 18 0.010 6.534 -14.993 117 HD13 ILE 18 3HD1 ILE 18 -0.026 8.017 -14.009 118 H GLY 19 H GLY 19 -5.132 4.232 -12.398 119 HA2 GLY 19 1HA GLY 19 -5.147 2.041 -10.735 120 HA3 GLY 19 2HA GLY 19 -6.141 2.235 -12.165 121 H HIS 20 H HIS 20 -5.179 1.595 -14.317 122 HA HIS 20 HA HIS 20 -4.141 -0.967 -14.171 123 HB2 HIS 20 1HB HIS 20 -4.088 -0.916 -16.527 124 HB3 HIS 20 2HB HIS 20 -5.447 0.082 -16.051 125 HD1 HIS 20 1HD HIS 20 -2.962 0.099 -18.500 126 HD2 HIS 20 2HD HIS 20 -4.273 3.010 -15.779 127 HE1 HIS 20 1HE HIS 20 -2.238 2.351 -19.458 128 H TYR 21 H TYR 21 -2.228 -1.343 -13.106 129 HA TYR 21 HA TYR 21 -0.006 0.461 -13.535 130 HB2 TYR 21 1HB TYR 21 -0.913 -1.787 -11.754 131 HB3 TYR 21 2HB TYR 21 0.813 -1.787 -12.057 132 HD1 TYR 21 1HD TYR 21 -0.918 1.431 -12.046 133 HD2 TYR 21 2HD TYR 21 1.191 -1.405 -9.635 134 HE1 TYR 21 1HE TYR 21 -0.598 3.192 -10.241 135 HE2 TYR 21 2HE TYR 21 1.504 0.366 -7.838 136 HH TYR 21 HH TYR 21 1.607 2.971 -7.880 137 H GLY 22 H GLY 22 0.075 -0.045 -15.930 138 HA2 GLY 22 1HA GLY 22 1.620 -0.907 -17.425 139 HA3 GLY 22 2HA GLY 22 1.958 -2.241 -16.341 140 H GLY 23 H GLY 23 -0.158 -3.678 -15.870 141 HA2 GLY 23 1HA GLY 23 -1.744 -3.953 -18.330 142 HA3 GLY 23 2HA GLY 23 -0.789 -5.312 -17.774 143 H GLU 24 H GLU 24 -1.037 -5.189 -14.986 144 HA GLU 24 HA GLU 24 -3.615 -6.257 -14.694 145 HB2 GLU 24 1HB GLU 24 -1.192 -6.429 -13.327 146 HB3 GLU 24 2HB GLU 24 -2.200 -5.548 -12.196 147 HG2 GLU 24 1HG GLU 24 -3.378 -7.417 -11.676 148 HG3 GLU 24 2HG GLU 24 -3.738 -7.728 -13.363 149 H THR 25 H THR 25 -4.423 -5.356 -12.103 150 HA THR 25 HA THR 25 -4.860 -2.482 -12.463 151 HB THR 25 HB THR 25 -7.347 -3.289 -11.684 152 HG1 THR 25 1HG THR 25 -6.007 -5.353 -13.282 153 HG21 THR 25 1HG2 THR 25 -6.209 -3.278 -14.525 154 HG22 THR 25 2HG2 THR 25 -7.946 -3.442 -14.174 155 HG23 THR 25 3HG2 THR 25 -7.081 -1.956 -13.713 156 H VAL 26 H VAL 26 -4.430 -1.385 -10.658 157 HA VAL 26 HA VAL 26 -4.357 -2.949 -8.178 158 HB VAL 26 HB VAL 26 -2.914 -1.035 -7.402 159 HG11 VAL 26 1HG1 VAL 26 -2.263 -3.168 -9.312 160 HG12 VAL 26 2HG1 VAL 26 -1.073 -1.845 -9.294 161 HG13 VAL 26 3HG1 VAL 26 -1.466 -2.709 -7.788 162 HG21 VAL 26 1HG2 VAL 26 -3.802 0.230 -9.686 163 HG22 VAL 26 2HG2 VAL 26 -2.405 0.726 -8.702 164 HG23 VAL 26 3HG2 VAL 26 -2.163 -0.290 -10.144 165 H LYS 27 H LYS 27 -5.501 -2.263 -6.351 166 HA LYS 27 HA LYS 27 -7.552 -0.272 -6.947 167 HB2 LYS 27 1HB LYS 27 -8.424 -2.401 -6.275 168 HB3 LYS 27 2HB LYS 27 -7.356 -2.483 -4.889 169 HG2 LYS 27 1HG LYS 27 -8.627 -0.061 -4.446 170 HG3 LYS 27 2HG LYS 27 -9.900 -0.976 -5.230 171 HD2 LYS 27 1HD LYS 27 -9.211 -2.898 -3.545 172 HD3 LYS 27 2HD LYS 27 -8.445 -1.604 -2.644 173 HE2 LYS 27 1HE LYS 27 -10.446 -0.918 -1.819 174 HE3 LYS 27 2HE LYS 27 -11.099 -0.735 -3.435 175 HZ1 LYS 27 1HZ LYS 27 -12.347 -2.466 -2.935 176 HZ2 LYS 27 2HZ LYS 27 -11.021 -3.413 -3.035 177 HZ3 LYS 27 3HZ LYS 27 -11.501 -2.831 -1.587 178 H ILE 28 H ILE 28 -7.317 1.766 -6.220 179 HA ILE 28 HA ILE 28 -5.306 2.224 -4.164 180 HB ILE 28 HB ILE 28 -6.742 4.035 -6.101 181 HG12 ILE 28 1HG1 ILE 28 -4.088 4.346 -6.559 182 HG13 ILE 28 2HG1 ILE 28 -4.104 2.677 -6.025 183 HG21 ILE 28 1HG2 ILE 28 -4.814 5.618 -5.095 184 HG22 ILE 28 2HG2 ILE 28 -6.484 5.587 -4.478 185 HG23 ILE 28 3HG2 ILE 28 -5.209 4.668 -3.642 186 HD11 ILE 28 1HD1 ILE 28 -6.341 3.051 -7.806 187 HD12 ILE 28 2HD1 ILE 28 -4.885 3.720 -8.579 188 HD13 ILE 28 3HD1 ILE 28 -4.905 2.025 -8.036 189 H VAL 29 H VAL 29 -5.784 2.809 -2.092 190 HA VAL 29 HA VAL 29 -8.522 3.668 -1.545 191 HB VAL 29 HB VAL 29 -8.077 2.105 0.596 192 HG11 VAL 29 1HG1 VAL 29 -9.307 1.277 -2.053 193 HG12 VAL 29 2HG1 VAL 29 -9.547 0.417 -0.513 194 HG13 VAL 29 3HG1 VAL 29 -10.119 2.093 -0.696 195 HG21 VAL 29 1HG2 VAL 29 -6.824 0.234 0.244 196 HG22 VAL 29 2HG2 VAL 29 -7.140 0.213 -1.508 197 HG23 VAL 29 3HG2 VAL 29 -5.938 1.339 -0.833 198 H ARG 30 H ARG 30 -8.401 5.590 -0.519 199 HA ARG 30 HA ARG 30 -5.906 6.229 0.760 200 HB2 ARG 30 1HB ARG 30 -8.374 7.846 -0.007 201 HB3 ARG 30 2HB ARG 30 -7.121 8.536 1.005 202 HG2 ARG 30 1HG ARG 30 -5.529 8.543 -0.713 203 HG3 ARG 30 2HG ARG 30 -6.254 7.180 -1.542 204 HD2 ARG 30 1HD ARG 30 -8.168 9.369 -1.479 205 HD3 ARG 30 2HD ARG 30 -6.638 9.969 -2.087 206 HE ARG 30 HE ARG 30 -7.286 7.434 -3.322 207 HH11 ARG 30 2HH2 ARG 30 -8.111 10.854 -3.397 208 HH12 ARG 30 1HH2 ARG 30 -8.630 10.824 -5.049 209 HH21 ARG 30 2HH1 ARG 30 -7.970 7.394 -5.502 210 HH22 ARG 30 1HH1 ARG 30 -8.549 8.842 -6.255 211 H ILE 31 H ILE 31 -5.712 5.628 2.901 212 HA ILE 31 HA ILE 31 -8.145 5.680 4.530 213 HB ILE 31 HB ILE 31 -5.565 4.152 4.683 214 HG12 ILE 31 1HG1 ILE 31 -8.478 3.309 4.729 215 HG13 ILE 31 2HG1 ILE 31 -7.414 3.232 3.339 216 HG21 ILE 31 1HG2 ILE 31 -7.135 5.144 6.926 217 HG22 ILE 31 2HG2 ILE 31 -7.046 3.367 6.895 218 HG23 ILE 31 3HG2 ILE 31 -5.551 4.333 6.901 219 HD11 ILE 31 1HD1 ILE 31 -5.839 1.816 4.891 220 HD12 ILE 31 2HD1 ILE 31 -7.290 1.620 5.903 221 HD13 ILE 31 3HD1 ILE 31 -7.296 1.043 4.220 222 H GLU 32 H GLU 32 -8.341 7.031 6.288 223 HA GLU 32 HA GLU 32 -6.255 9.019 6.480 224 HB2 GLU 32 1HB GLU 32 -9.076 8.910 7.635 225 HB3 GLU 32 2HB GLU 32 -7.970 10.248 7.879 226 HG2 GLU 32 1HG GLU 32 -7.804 10.127 5.189 227 HG3 GLU 32 2HG GLU 32 -9.380 9.380 5.360 228 H LYS 33 H LYS 33 -4.694 8.857 8.026 229 HA LYS 33 HA LYS 33 -5.435 7.470 10.507 230 HB2 LYS 33 1HB LYS 33 -3.122 7.035 8.672 231 HB3 LYS 33 2HB LYS 33 -2.808 6.946 10.393 232 HG2 LYS 33 1HG LYS 33 -4.492 5.214 10.698 233 HG3 LYS 33 2HG LYS 33 -5.102 5.433 9.070 234 HD2 LYS 33 1HD LYS 33 -3.721 3.485 8.952 235 HD3 LYS 33 2HD LYS 33 -2.763 4.760 8.226 236 HE2 LYS 33 1HE LYS 33 -1.745 5.119 10.596 237 HE3 LYS 33 2HE LYS 33 -2.484 3.588 11.024 238 HZ1 LYS 33 1HZ LYS 33 -0.911 2.520 9.935 239 HZ2 LYS 33 2HZ LYS 33 -1.100 3.404 8.574 240 HZ3 LYS 33 3HZ LYS 33 -0.108 3.932 9.759 241 H ALA 34 H ALA 34 -5.003 8.561 12.381 242 HA ALA 34 HA ALA 34 -4.192 11.281 12.134 243 HB1 ALA 34 1HB ALA 34 -5.875 10.060 13.774 244 HB2 ALA 34 2HB ALA 34 -4.412 9.823 14.759 245 HB3 ALA 34 3HB ALA 34 -4.937 11.468 14.327 246 H ARG 35 H ARG 35 -2.480 12.121 13.835 247 HA ARG 35 HA ARG 35 -0.077 10.788 13.112 248 HB2 ARG 35 1HB ARG 35 -0.549 13.372 13.344 249 HB3 ARG 35 2HB ARG 35 -0.277 13.120 15.057 250 HG2 ARG 35 1HG ARG 35 1.987 12.392 14.710 251 HG3 ARG 35 2HG ARG 35 1.733 12.140 12.995 252 HD2 ARG 35 1HD ARG 35 2.100 14.348 12.488 253 HD3 ARG 35 2HD ARG 35 1.152 14.919 13.847 254 HE ARG 35 HE ARG 35 3.685 13.723 14.677 255 HH11 ARG 35 2HH2 ARG 35 2.162 16.675 13.518 256 HH12 ARG 35 1HH2 ARG 35 3.373 17.716 14.190 257 HH21 ARG 35 2HH1 ARG 35 5.283 15.095 15.564 258 HH22 ARG 35 1HH1 ARG 35 5.160 16.811 15.362 259 H ASP 36 H ASP 36 -1.744 9.140 14.761 260 HA ASP 36 HA ASP 36 0.030 8.224 16.589 261 HB2 ASP 36 1HB ASP 36 -1.135 8.885 18.761 262 HB3 ASP 36 2HB ASP 36 -0.223 10.164 17.984 263 H ILE 37 H ILE 37 -1.849 7.281 14.635 264 HA ILE 37 HA ILE 37 -3.749 5.835 16.348 265 HB ILE 37 HB ILE 37 -4.133 7.226 13.741 266 HG12 ILE 37 1HG1 ILE 37 -4.926 7.849 16.213 267 HG13 ILE 37 2HG1 ILE 37 -5.858 8.257 14.786 268 HG21 ILE 37 1HG2 ILE 37 -5.323 4.571 14.478 269 HG22 ILE 37 2HG2 ILE 37 -6.279 5.756 13.556 270 HG23 ILE 37 3HG2 ILE 37 -4.733 5.160 12.905 271 HD11 ILE 37 1HD1 ILE 37 -7.120 7.103 16.731 272 HD12 ILE 37 2HD1 ILE 37 -7.372 6.435 15.100 273 HD13 ILE 37 3HD1 ILE 37 -6.274 5.616 16.237 274 HA PRO 38 HA PRO 38 -1.558 2.425 14.793 275 HB2 PRO 38 1HB PRO 38 -3.003 0.449 16.007 276 HB3 PRO 38 2HB PRO 38 -1.711 1.321 16.808 277 HG2 PRO 38 1HG PRO 38 -4.632 1.595 17.166 278 HG3 PRO 38 2HG PRO 38 -3.342 2.127 18.226 279 HD2 PRO 38 1HD PRO 38 -4.905 3.767 16.468 280 HD3 PRO 38 2HD PRO 38 -3.540 4.278 17.440 281 H LEU 39 H LEU 39 -1.530 1.033 13.064 282 HA LEU 39 HA LEU 39 -3.572 1.442 11.215 283 HB2 LEU 39 1HB LEU 39 -1.194 0.791 10.784 284 HB3 LEU 39 2HB LEU 39 -1.588 -0.833 11.312 285 HG LEU 39 HG LEU 39 -3.265 -0.998 9.480 286 HD11 LEU 39 1HD1 LEU 39 -3.268 0.648 7.674 287 HD12 LEU 39 2HD1 LEU 39 -3.762 1.384 9.218 288 HD13 LEU 39 3HD1 LEU 39 -2.123 1.663 8.583 289 HD21 LEU 39 1HD2 LEU 39 -0.431 -1.092 9.317 290 HD22 LEU 39 2HD2 LEU 39 -1.632 -2.001 8.368 291 HD23 LEU 39 3HD2 LEU 39 -1.038 -0.429 7.781 292 H GLY 40 H GLY 40 -2.947 -1.224 13.565 293 HA2 GLY 40 1HA GLY 40 -4.327 -2.781 14.415 294 HA3 GLY 40 2HA GLY 40 -5.680 -1.800 13.891 295 H ALA 41 H ALA 41 -3.143 -3.080 11.696 296 HA ALA 41 HA ALA 41 -4.943 -5.174 10.794 297 HB1 ALA 41 1HB ALA 41 -5.663 -3.316 9.431 298 HB2 ALA 41 2HB ALA 41 -3.981 -2.860 9.070 299 HB3 ALA 41 3HB ALA 41 -4.653 -4.372 8.415 300 H THR 42 H THR 42 -3.739 -6.994 10.642 301 HA THR 42 HA THR 42 -0.852 -6.726 10.552 302 HB THR 42 HB THR 42 -2.424 -9.324 10.612 303 HG1 THR 42 1HG THR 42 -3.472 -8.144 12.233 304 HG21 THR 42 1HG2 THR 42 0.214 -9.027 10.782 305 HG22 THR 42 2HG2 THR 42 -0.150 -8.467 12.432 306 HG23 THR 42 3HG2 THR 42 -0.616 -10.109 11.926 307 H VAL 43 H VAL 43 0.519 -7.721 8.999 308 HA VAL 43 HA VAL 43 -0.755 -8.690 6.585 309 HB VAL 43 HB VAL 43 0.196 -7.096 5.132 310 HG11 VAL 43 1HG1 VAL 43 -1.894 -6.422 6.346 311 HG12 VAL 43 2HG1 VAL 43 -0.879 -5.485 7.468 312 HG13 VAL 43 3HG1 VAL 43 -0.926 -5.057 5.741 313 HG21 VAL 43 1HG2 VAL 43 2.326 -6.575 5.839 314 HG22 VAL 43 2HG2 VAL 43 1.466 -5.077 6.270 315 HG23 VAL 43 3HG2 VAL 43 1.820 -6.291 7.522 316 H ARG 44 H ARG 44 0.541 -10.173 5.496 317 HA ARG 44 HA ARG 44 3.043 -10.711 6.861 318 HB2 ARG 44 1HB ARG 44 2.834 -12.992 5.747 319 HB3 ARG 44 2HB ARG 44 1.543 -12.623 6.873 320 HG2 ARG 44 1HG ARG 44 0.902 -11.656 4.174 321 HG3 ARG 44 2HG ARG 44 1.261 -13.371 4.160 322 HD2 ARG 44 1HD ARG 44 -0.340 -13.435 6.290 323 HD3 ARG 44 2HD ARG 44 -0.929 -11.909 5.660 324 HE ARG 44 HE ARG 44 -2.022 -13.082 3.966 325 HH11 ARG 44 2HH2 ARG 44 0.568 -15.096 5.237 326 HH12 ARG 44 1HH2 ARG 44 0.135 -16.476 4.283 327 HH21 ARG 44 2HH1 ARG 44 -2.593 -14.902 2.707 328 HH22 ARG 44 1HH1 ARG 44 -1.675 -16.365 2.834 329 H ASN 45 H ASN 45 4.983 -11.197 5.574 330 HA ASN 45 HA ASN 45 4.915 -9.767 3.071 331 HB2 ASN 45 1HB ASN 45 6.701 -9.534 5.022 332 HB3 ASN 45 2HB ASN 45 7.399 -10.988 4.338 333 HD21 ASN 45 1HD2 ASN 45 5.861 -8.072 2.981 334 HD22 ASN 45 2HD2 ASN 45 7.141 -7.633 1.899 335 H GLU 46 H GLU 46 4.324 -11.125 1.350 336 HA GLU 46 HA GLU 46 4.986 -13.895 1.466 337 HB2 GLU 46 1HB GLU 46 3.078 -12.255 0.102 338 HB3 GLU 46 2HB GLU 46 4.020 -13.061 -1.137 339 HG2 GLU 46 1HG GLU 46 2.417 -14.336 1.114 340 HG3 GLU 46 2HG GLU 46 2.201 -14.547 -0.612 341 H MET 47 H MET 47 5.937 -14.921 -0.679 342 HA MET 47 HA MET 47 8.375 -14.862 -1.009 343 HB2 MET 47 1HB MET 47 6.482 -14.218 -3.332 344 HB3 MET 47 2HB MET 47 8.143 -14.713 -3.593 345 HG2 MET 47 1HG MET 47 6.652 -16.484 -1.726 346 HG3 MET 47 2HG MET 47 5.981 -16.445 -3.345 347 HE1 MET 47 1HE MET 47 6.813 -19.250 -3.167 348 HE2 MET 47 2HE MET 47 8.492 -19.596 -2.688 349 HE3 MET 47 3HE MET 47 7.412 -18.720 -1.577 350 H ASP 48 H ASP 48 6.704 -12.167 -2.805 351 HA ASP 48 HA ASP 48 8.822 -10.420 -1.916 352 HB2 ASP 48 1HB ASP 48 8.000 -10.423 -4.840 353 HB3 ASP 48 2HB ASP 48 9.403 -9.663 -4.114 354 H SER 49 H SER 49 5.760 -10.983 -1.659 355 HA SER 49 HA SER 49 4.968 -8.254 -2.273 356 HB2 SER 49 1HB SER 49 3.421 -10.802 -2.884 357 HB3 SER 49 2HB SER 49 2.631 -9.241 -2.776 358 HG SER 49 HG SER 49 4.547 -10.171 -4.697 359 H VAL 50 H VAL 50 3.752 -7.256 -0.628 360 HA VAL 50 HA VAL 50 3.535 -8.816 1.820 361 HB VAL 50 HB VAL 50 4.679 -6.802 2.127 362 HG11 VAL 50 1HG1 VAL 50 4.475 -5.354 0.401 363 HG12 VAL 50 2HG1 VAL 50 2.758 -5.743 0.136 364 HG13 VAL 50 3HG1 VAL 50 3.225 -4.612 1.429 365 HG21 VAL 50 1HG2 VAL 50 3.317 -6.934 3.987 366 HG22 VAL 50 2HG2 VAL 50 2.886 -5.322 3.367 367 HG23 VAL 50 3HG2 VAL 50 1.822 -6.713 3.046 368 H ILE 51 H ILE 51 1.669 -9.926 2.102 369 HA ILE 51 HA ILE 51 -0.780 -8.650 1.106 370 HB ILE 51 HB ILE 51 -0.009 -11.542 1.443 371 HG12 ILE 51 1HG1 ILE 51 -0.604 -11.643 -0.964 372 HG13 ILE 51 2HG1 ILE 51 -0.898 -9.915 -0.957 373 HG21 ILE 51 1HG2 ILE 51 -2.760 -10.405 0.868 374 HG22 ILE 51 2HG2 ILE 51 -2.299 -12.121 0.762 375 HG23 ILE 51 3HG2 ILE 51 -2.258 -11.285 2.333 376 HD11 ILE 51 1HD1 ILE 51 1.346 -9.385 -0.858 377 HD12 ILE 51 2HD1 ILE 51 1.739 -10.793 0.157 378 HD13 ILE 51 3HD1 ILE 51 1.509 -10.997 -1.596 379 H ILE 52 H ILE 52 -2.672 -8.694 2.469 380 HA ILE 52 HA ILE 52 -2.106 -8.108 5.134 381 HB ILE 52 HB ILE 52 -4.725 -8.837 3.819 382 HG12 ILE 52 1HG1 ILE 52 -3.521 -6.976 2.712 383 HG13 ILE 52 2HG1 ILE 52 -5.039 -6.486 3.438 384 HG21 ILE 52 1HG2 ILE 52 -5.668 -7.404 5.682 385 HG22 ILE 52 2HG2 ILE 52 -5.054 -9.006 6.155 386 HG23 ILE 52 3HG2 ILE 52 -4.083 -7.550 6.477 387 HD11 ILE 52 1HD1 ILE 52 -3.615 -5.846 5.533 388 HD12 ILE 52 2HD1 ILE 52 -2.221 -5.955 4.432 389 HD13 ILE 52 3HD1 ILE 52 -3.524 -4.788 4.104 390 H SER 53 H SER 53 -2.556 -9.254 7.095 391 HA SER 53 HA SER 53 -2.648 -12.136 6.651 392 HB2 SER 53 1HB SER 53 -0.862 -12.377 8.020 393 HB3 SER 53 2HB SER 53 -0.647 -10.642 7.901 394 HG SER 53 HG SER 53 -0.755 -11.221 10.111 395 H ARG 54 H ARG 54 -3.547 -9.407 8.856 396 HA ARG 54 HA ARG 54 -6.029 -10.720 9.349 397 HB2 ARG 54 1HB ARG 54 -4.652 -11.742 11.120 398 HB3 ARG 54 2HB ARG 54 -4.047 -10.173 11.614 399 HG2 ARG 54 1HG ARG 54 -6.215 -9.482 12.436 400 HG3 ARG 54 2HG ARG 54 -7.022 -10.827 11.653 401 HD2 ARG 54 1HD ARG 54 -4.999 -11.969 13.333 402 HD3 ARG 54 2HD ARG 54 -5.793 -10.732 14.287 403 HE ARG 54 HE ARG 54 -7.756 -12.317 12.877 404 HH11 ARG 54 2HH2 ARG 54 -5.577 -12.416 15.638 405 HH12 ARG 54 1HH2 ARG 54 -6.534 -13.561 16.515 406 HH21 ARG 54 2HH1 ARG 54 -9.021 -13.829 14.035 407 HH22 ARG 54 1HH1 ARG 54 -8.506 -14.371 15.597 408 H ILE 55 H ILE 55 -7.522 -9.226 10.678 409 HA ILE 55 HA ILE 55 -6.640 -6.437 10.410 410 HB ILE 55 HB ILE 55 -9.311 -7.651 9.705 411 HG12 ILE 55 1HG1 ILE 55 -7.649 -7.954 7.968 412 HG13 ILE 55 2HG1 ILE 55 -8.835 -6.766 7.464 413 HG21 ILE 55 1HG2 ILE 55 -8.959 -4.811 9.120 414 HG22 ILE 55 2HG2 ILE 55 -10.322 -5.671 9.875 415 HG23 ILE 55 3HG2 ILE 55 -8.930 -5.169 10.864 416 HD11 ILE 55 1HD1 ILE 55 -5.943 -6.388 8.171 417 HD12 ILE 55 2HD1 ILE 55 -6.914 -5.604 6.902 418 HD13 ILE 55 3HD1 ILE 55 -7.062 -5.069 8.593 419 H VAL 56 H VAL 56 -6.581 -5.400 12.324 420 HA VAL 56 HA VAL 56 -7.896 -6.659 14.578 421 HB VAL 56 HB VAL 56 -6.154 -4.193 14.509 422 HG11 VAL 56 1HG1 VAL 56 -5.895 -4.451 16.810 423 HG12 VAL 56 2HG1 VAL 56 -7.607 -4.871 16.562 424 HG13 VAL 56 3HG1 VAL 56 -6.397 -6.158 16.781 425 HG21 VAL 56 1HG2 VAL 56 -4.423 -5.469 13.916 426 HG22 VAL 56 2HG2 VAL 56 -4.643 -6.395 15.420 427 HG23 VAL 56 3HG2 VAL 56 -5.439 -6.931 13.920 428 H LYS 57 H LYS 57 -9.537 -5.698 15.831 429 HA LYS 57 HA LYS 57 -11.206 -3.905 14.363 430 HB2 LYS 57 1HB LYS 57 -12.384 -5.542 15.523 431 HB3 LYS 57 2HB LYS 57 -11.394 -5.401 16.961 432 HG2 LYS 57 1HG LYS 57 -12.400 -3.291 17.574 433 HG3 LYS 57 2HG LYS 57 -13.143 -3.101 15.998 434 HD2 LYS 57 1HD LYS 57 -14.996 -3.940 17.071 435 HD3 LYS 57 2HD LYS 57 -14.255 -5.485 16.701 436 HE2 LYS 57 1HE LYS 57 -13.367 -4.126 19.235 437 HE3 LYS 57 2HE LYS 57 -14.991 -4.783 19.218 438 HZ1 LYS 57 1HZ LYS 57 -12.628 -6.334 18.424 439 HZ2 LYS 57 2HZ LYS 57 -13.250 -6.348 19.934 440 HZ3 LYS 57 3HZ LYS 57 -14.137 -6.902 18.680 441 H GLY 58 H GLY 58 -11.868 -1.773 15.005 442 HA2 GLY 58 1HA GLY 58 -11.654 0.240 16.032 443 HA3 GLY 58 2HA GLY 58 -10.540 -0.458 17.190 444 H GLY 59 H GLY 59 -9.378 -1.476 14.231 445 HA2 GLY 59 1HA GLY 59 -7.226 0.435 14.282 446 HA3 GLY 59 2HA GLY 59 -7.411 -0.948 13.222 447 H ALA 60 H ALA 60 -6.587 1.800 12.498 448 HA ALA 60 HA ALA 60 -8.678 3.249 11.368 449 HB1 ALA 60 1HB ALA 60 -6.772 4.507 11.447 450 HB2 ALA 60 2HB ALA 60 -5.709 3.108 11.159 451 HB3 ALA 60 3HB ALA 60 -6.555 3.878 9.796 452 H ALA 61 H ALA 61 -6.823 0.409 10.245 453 HA ALA 61 HA ALA 61 -7.574 0.533 7.556 454 HB1 ALA 61 1HB ALA 61 -5.815 -0.921 8.888 455 HB2 ALA 61 2HB ALA 61 -7.168 -2.072 9.014 456 HB3 ALA 61 3HB ALA 61 -6.576 -1.564 7.413 457 H GLU 62 H GLU 62 -8.938 -1.491 10.258 458 HA GLU 62 HA GLU 62 -11.027 -2.497 8.833 459 HB2 GLU 62 1HB GLU 62 -10.614 -3.478 10.938 460 HB3 GLU 62 2HB GLU 62 -10.583 -1.936 11.770 461 HG2 GLU 62 1HG GLU 62 -12.947 -1.723 11.750 462 HG3 GLU 62 2HG GLU 62 -13.139 -2.843 10.417 463 H LYS 63 H LYS 63 -11.069 0.396 11.043 464 HA LYS 63 HA LYS 63 -13.614 1.194 10.772 465 HB2 LYS 63 1HB LYS 63 -11.128 2.930 10.774 466 HB3 LYS 63 2HB LYS 63 -12.752 3.523 11.055 467 HG2 LYS 63 1HG LYS 63 -12.403 1.241 12.760 468 HG3 LYS 63 2HG LYS 63 -10.954 2.213 12.919 469 HD2 LYS 63 1HD LYS 63 -12.216 4.171 13.571 470 HD3 LYS 63 2HD LYS 63 -13.734 3.448 13.079 471 HE2 LYS 63 1HE LYS 63 -12.593 1.628 14.956 472 HE3 LYS 63 2HE LYS 63 -12.342 3.224 15.635 473 HZ1 LYS 63 1HZ LYS 63 -14.936 2.883 14.515 474 HZ2 LYS 63 2HZ LYS 63 -14.634 1.843 15.738 475 HZ3 LYS 63 3HZ LYS 63 -14.504 3.453 15.983 476 H SER 64 H SER 64 -11.015 2.525 8.605 477 HA SER 64 HA SER 64 -12.738 3.638 6.817 478 HB2 SER 64 1HB SER 64 -10.824 3.620 5.234 479 HB3 SER 64 2HB SER 64 -10.332 4.113 6.842 480 HG SER 64 HG SER 64 -9.747 1.714 5.420 481 H GLY 65 H GLY 65 -11.677 0.264 7.193 482 HA2 GLY 65 1HA GLY 65 -12.353 -1.642 6.216 483 HA3 GLY 65 2HA GLY 65 -13.789 -0.788 5.690 484 H LEU 66 H LEU 66 -10.320 -0.143 4.865 485 HA LEU 66 HA LEU 66 -11.049 -0.661 2.065 486 HB2 LEU 66 1HB LEU 66 -8.896 1.235 2.966 487 HB3 LEU 66 2HB LEU 66 -9.629 1.085 1.382 488 HG LEU 66 HG LEU 66 -10.941 2.184 3.881 489 HD11 LEU 66 1HD1 LEU 66 -9.453 3.809 3.048 490 HD12 LEU 66 2HD1 LEU 66 -9.890 3.465 1.357 491 HD13 LEU 66 3HD1 LEU 66 -11.058 4.270 2.431 492 HD21 LEU 66 1HD2 LEU 66 -12.220 2.255 1.166 493 HD22 LEU 66 2HD2 LEU 66 -12.394 0.819 2.203 494 HD23 LEU 66 3HD2 LEU 66 -12.959 2.406 2.778 495 H LEU 67 H LEU 67 -9.749 -2.200 4.558 496 HA LEU 67 HA LEU 67 -7.696 -3.419 2.873 497 HB2 LEU 67 1HB LEU 67 -7.325 -2.574 5.750 498 HB3 LEU 67 2HB LEU 67 -6.234 -3.628 4.871 499 HG LEU 67 HG LEU 67 -6.870 -0.881 3.816 500 HD11 LEU 67 1HD1 LEU 67 -6.196 -0.231 5.935 501 HD12 LEU 67 2HD1 LEU 67 -5.055 -1.586 6.106 502 HD13 LEU 67 3HD1 LEU 67 -4.667 -0.228 5.024 503 HD21 LEU 67 1HD2 LEU 67 -5.428 -2.959 2.772 504 HD22 LEU 67 2HD2 LEU 67 -5.219 -1.243 2.347 505 HD23 LEU 67 3HD2 LEU 67 -4.161 -1.994 3.566 506 H HIS 68 H HIS 68 -7.980 -5.583 2.722 507 HA HIS 68 HA HIS 68 -9.384 -6.880 4.930 508 HB2 HIS 68 1HB HIS 68 -11.100 -7.595 3.688 509 HB3 HIS 68 2HB HIS 68 -10.673 -6.281 2.610 510 HD1 HIS 68 1HD HIS 68 -11.865 -9.351 2.040 511 HD2 HIS 68 2HD HIS 68 -8.124 -7.731 1.053 512 HE1 HIS 68 1HE HIS 68 -10.974 -10.742 0.096 513 H GLU 69 H GLU 69 -8.935 -9.213 5.091 514 HA GLU 69 HA GLU 69 -6.246 -9.729 4.691 515 HB2 GLU 69 1HB GLU 69 -8.546 -11.654 5.245 516 HB3 GLU 69 2HB GLU 69 -6.850 -12.070 5.392 517 HG2 GLU 69 1HG GLU 69 -6.516 -10.621 7.244 518 HG3 GLU 69 2HG GLU 69 -7.926 -9.650 6.867 519 H GLY 70 H GLY 70 -5.098 -10.541 2.973 520 HA2 GLY 70 1HA GLY 70 -4.929 -12.138 1.202 521 HA3 GLY 70 2HA GLY 70 -6.622 -11.884 0.830 522 H ASP 71 H ASP 71 -5.584 -8.837 1.629 523 HA ASP 71 HA ASP 71 -5.465 -8.101 -1.110 524 HB2 ASP 71 1HB ASP 71 -5.757 -6.782 1.521 525 HB3 ASP 71 2HB ASP 71 -4.766 -5.850 0.416 526 H GLU 72 H GLU 72 -3.573 -7.586 -2.279 527 HA GLU 72 HA GLU 72 -1.097 -7.942 -0.822 528 HB2 GLU 72 1HB GLU 72 -1.331 -9.335 -2.797 529 HB3 GLU 72 2HB GLU 72 -1.770 -7.962 -3.792 530 HG2 GLU 72 1HG GLU 72 0.460 -7.007 -3.615 531 HG3 GLU 72 2HG GLU 72 0.917 -8.144 -2.363 532 H VAL 73 H VAL 73 0.347 -6.279 -0.457 533 HA VAL 73 HA VAL 73 -0.460 -3.665 -1.495 534 HB VAL 73 HB VAL 73 1.405 -4.373 0.777 535 HG11 VAL 73 1HG1 VAL 73 1.415 -2.092 1.354 536 HG12 VAL 73 2HG1 VAL 73 1.613 -2.103 -0.415 537 HG13 VAL 73 3HG1 VAL 73 0.027 -1.725 0.301 538 HG21 VAL 73 1HG2 VAL 73 -1.553 -3.712 0.768 539 HG22 VAL 73 2HG2 VAL 73 -0.752 -5.168 1.408 540 HG23 VAL 73 3HG2 VAL 73 -0.528 -3.600 2.219 541 H LEU 74 H LEU 74 0.950 -2.383 -2.705 542 HA LEU 74 HA LEU 74 3.536 -3.618 -3.328 543 HB2 LEU 74 1HB LEU 74 2.113 -2.152 -5.478 544 HB3 LEU 74 2HB LEU 74 3.240 -3.491 -5.573 545 HG LEU 74 HG LEU 74 0.456 -3.893 -4.490 546 HD11 LEU 74 1HD1 LEU 74 0.935 -4.529 -7.347 547 HD12 LEU 74 2HD1 LEU 74 -0.537 -3.966 -6.518 548 HD13 LEU 74 3HD1 LEU 74 0.748 -2.807 -6.935 549 HD21 LEU 74 1HD2 LEU 74 2.528 -5.711 -5.739 550 HD22 LEU 74 2HD2 LEU 74 1.927 -5.720 -4.064 551 HD23 LEU 74 3HD2 LEU 74 0.850 -6.199 -5.398 552 H GLU 75 H GLU 75 1.469 -0.655 -3.310 553 HA GLU 75 HA GLU 75 3.887 0.798 -2.616 554 HB2 GLU 75 1HB GLU 75 2.594 1.028 -5.110 555 HB3 GLU 75 2HB GLU 75 2.036 2.425 -4.210 556 HG2 GLU 75 1HG GLU 75 4.484 2.893 -3.604 557 HG3 GLU 75 2HG GLU 75 4.935 1.626 -4.728 558 H ILE 76 H ILE 76 3.580 2.479 -1.086 559 HA ILE 76 HA ILE 76 0.814 2.833 -0.178 560 HB ILE 76 HB ILE 76 3.253 2.249 1.497 561 HG12 ILE 76 1HG1 ILE 76 0.613 0.816 1.097 562 HG13 ILE 76 2HG1 ILE 76 2.206 0.256 0.626 563 HG21 ILE 76 1HG2 ILE 76 2.399 3.658 3.005 564 HG22 ILE 76 2HG2 ILE 76 0.850 3.798 2.138 565 HG23 ILE 76 3HG2 ILE 76 1.132 2.430 3.242 566 HD11 ILE 76 1HD1 ILE 76 2.498 0.840 3.361 567 HD12 ILE 76 2HD1 ILE 76 0.882 0.102 3.239 568 HD13 ILE 76 3HD1 ILE 76 2.310 -0.778 2.643 569 H ASN 77 H ASN 77 0.333 4.897 -0.727 570 HA ASN 77 HA ASN 77 0.404 7.070 -0.702 571 HB2 ASN 77 1HB ASN 77 2.113 6.418 1.508 572 HB3 ASN 77 2HB ASN 77 2.945 7.675 0.613 573 HD21 ASN 77 1HD2 ASN 77 1.719 7.779 3.232 574 HD22 ASN 77 2HD2 ASN 77 0.518 9.027 3.207 575 H GLY 78 H GLY 78 2.394 5.048 -2.270 576 HA2 GLY 78 1HA GLY 78 3.208 5.791 -4.422 577 HA3 GLY 78 2HA GLY 78 3.880 7.208 -3.640 578 H ILE 79 H ILE 79 4.662 5.467 -1.207 579 HA ILE 79 HA ILE 79 7.275 4.872 -2.147 580 HB ILE 79 HB ILE 79 5.880 4.434 0.492 581 HG12 ILE 79 1HG1 ILE 79 7.938 6.299 0.761 582 HG13 ILE 79 2HG1 ILE 79 7.202 6.704 -0.777 583 HG21 ILE 79 1HG2 ILE 79 8.849 4.195 -0.028 584 HG22 ILE 79 2HG2 ILE 79 7.959 3.841 1.472 585 HG23 ILE 79 3HG2 ILE 79 7.747 2.799 0.044 586 HD11 ILE 79 1HD1 ILE 79 4.934 6.316 0.653 587 HD12 ILE 79 2HD1 ILE 79 6.025 6.791 1.977 588 HD13 ILE 79 3HD1 ILE 79 5.771 7.886 0.597 589 H GLU 80 H GLU 80 8.076 3.005 -2.968 590 HA GLU 80 HA GLU 80 6.276 0.903 -3.461 591 HB2 GLU 80 1HB GLU 80 8.779 1.775 -4.456 592 HB3 GLU 80 2HB GLU 80 9.085 0.173 -3.814 593 HG2 GLU 80 1HG GLU 80 6.688 -0.243 -5.124 594 HG3 GLU 80 2HG GLU 80 7.405 0.995 -6.136 595 H ILE 81 H ILE 81 6.162 -1.197 -2.550 596 HA ILE 81 HA ILE 81 7.730 -1.515 -0.085 597 HB ILE 81 HB ILE 81 4.861 -2.235 -0.673 598 HG12 ILE 81 1HG1 ILE 81 6.211 -0.060 0.751 599 HG13 ILE 81 2HG1 ILE 81 4.576 -0.160 0.130 600 HG21 ILE 81 1HG2 ILE 81 6.102 -4.071 0.514 601 HG22 ILE 81 2HG2 ILE 81 6.402 -2.921 1.840 602 HG23 ILE 81 3HG2 ILE 81 4.734 -3.374 1.415 603 HD11 ILE 81 1HD1 ILE 81 5.615 -1.289 2.764 604 HD12 ILE 81 2HD1 ILE 81 4.411 0.002 2.536 605 HD13 ILE 81 3HD1 ILE 81 4.007 -1.677 2.106 606 H ARG 82 H ARG 82 6.257 -3.029 -2.987 607 HA ARG 82 HA ARG 82 6.626 -5.567 -2.750 608 HB2 ARG 82 1HB ARG 82 6.455 -3.898 -4.908 609 HB3 ARG 82 2HB ARG 82 8.098 -4.465 -5.130 610 HG2 ARG 82 1HG ARG 82 7.074 -6.204 -6.227 611 HG3 ARG 82 2HG ARG 82 6.886 -6.853 -4.610 612 HD2 ARG 82 1HD ARG 82 4.649 -6.906 -5.060 613 HD3 ARG 82 2HD ARG 82 4.676 -5.172 -4.805 614 HE ARG 82 HE ARG 82 4.558 -4.823 -7.140 615 HH11 ARG 82 2HH2 ARG 82 5.104 -8.227 -6.436 616 HH12 ARG 82 1HH2 ARG 82 4.785 -8.745 -8.058 617 HH21 ARG 82 2HH1 ARG 82 4.137 -5.506 -9.279 618 HH22 ARG 82 1HH1 ARG 82 4.231 -7.187 -9.686 619 H GLY 83 H GLY 83 8.168 -6.761 -1.668 620 HA2 GLY 83 1HA GLY 83 10.273 -7.759 -1.618 621 HA3 GLY 83 2HA GLY 83 10.976 -6.358 -2.401 622 H LYS 84 H LYS 84 8.681 -5.632 0.131 623 HA LYS 84 HA LYS 84 10.914 -4.799 1.819 624 HB2 LYS 84 1HB LYS 84 8.094 -3.864 1.422 625 HB3 LYS 84 2HB LYS 84 8.856 -3.597 2.977 626 HG2 LYS 84 1HG LYS 84 10.893 -2.754 1.410 627 HG3 LYS 84 2HG LYS 84 9.582 -2.463 0.284 628 HD2 LYS 84 1HD LYS 84 8.384 -1.194 2.171 629 HD3 LYS 84 2HD LYS 84 9.862 -1.328 3.103 630 HE2 LYS 84 1HE LYS 84 9.971 -0.207 0.287 631 HE3 LYS 84 2HE LYS 84 9.434 0.818 1.603 632 HZ1 LYS 84 1HZ LYS 84 11.469 0.553 2.684 633 HZ2 LYS 84 2HZ LYS 84 11.937 -0.699 1.744 634 HZ3 LYS 84 3HZ LYS 84 11.867 0.808 1.120 635 H ASP 85 H ASP 85 9.688 -4.710 4.314 636 HA ASP 85 HA ASP 85 8.980 -7.508 4.720 637 HB2 ASP 85 1HB ASP 85 11.289 -7.128 5.486 638 HB3 ASP 85 2HB ASP 85 10.793 -5.720 6.404 639 H VAL 86 H VAL 86 7.513 -7.853 6.598 640 HA VAL 86 HA VAL 86 5.465 -6.086 6.830 641 HB VAL 86 HB VAL 86 4.970 -7.289 8.976 642 HG11 VAL 86 1HG1 VAL 86 5.732 -9.159 6.714 643 HG12 VAL 86 2HG1 VAL 86 4.422 -9.351 7.904 644 HG13 VAL 86 3HG1 VAL 86 4.318 -8.079 6.664 645 HG21 VAL 86 1HG2 VAL 86 6.550 -9.407 9.184 646 HG22 VAL 86 2HG2 VAL 86 7.749 -8.295 8.482 647 HG23 VAL 86 3HG2 VAL 86 6.937 -7.879 10.010 648 H ASN 87 H ASN 87 8.293 -6.426 9.085 649 HA ASN 87 HA ASN 87 7.580 -4.466 10.818 650 HB2 ASN 87 1HB ASN 87 9.878 -6.050 10.292 651 HB3 ASN 87 2HB ASN 87 10.469 -4.401 10.236 652 HD21 ASN 87 1HD2 ASN 87 8.615 -6.716 12.152 653 HD22 ASN 87 2HD2 ASN 87 8.952 -6.049 13.715 654 H GLU 88 H GLU 88 9.520 -4.272 7.751 655 HA GLU 88 HA GLU 88 10.121 -1.589 7.914 656 HB2 GLU 88 1HB GLU 88 10.225 -3.722 5.901 657 HB3 GLU 88 2HB GLU 88 9.866 -2.171 5.168 658 HG2 GLU 88 1HG GLU 88 11.873 -1.485 6.961 659 HG3 GLU 88 2HG GLU 88 12.359 -3.102 6.492 660 H VAL 89 H VAL 89 7.323 -3.296 6.376 661 HA VAL 89 HA VAL 89 6.147 -1.016 5.280 662 HB VAL 89 HB VAL 89 4.997 -3.653 6.207 663 HG11 VAL 89 1HG1 VAL 89 3.188 -2.989 4.446 664 HG12 VAL 89 2HG1 VAL 89 3.089 -2.330 6.096 665 HG13 VAL 89 3HG1 VAL 89 3.732 -1.326 4.774 666 HG21 VAL 89 1HG2 VAL 89 6.167 -4.414 4.448 667 HG22 VAL 89 2HG2 VAL 89 4.954 -3.584 3.443 668 HG23 VAL 89 3HG2 VAL 89 6.489 -2.773 3.839 669 H PHE 90 H PHE 90 5.769 -2.635 8.490 670 HA PHE 90 HA PHE 90 3.732 -0.957 9.400 671 HB2 PHE 90 1HB PHE 90 6.011 -2.494 10.784 672 HB3 PHE 90 2HB PHE 90 4.649 -1.820 11.658 673 HD1 PHE 90 1HD PHE 90 2.513 -2.507 9.582 674 HD2 PHE 90 2HD PHE 90 5.666 -4.780 11.285 675 HE1 PHE 90 1HE PHE 90 1.212 -4.615 9.178 676 HE2 PHE 90 2HE PHE 90 4.365 -6.888 10.881 677 HZ PHE 90 HZ PHE 90 2.153 -6.780 9.833 678 H ASP 91 H ASP 91 7.264 -0.939 10.295 679 HA ASP 91 HA ASP 91 7.248 1.311 11.759 680 HB2 ASP 91 1HB ASP 91 9.184 -0.347 10.481 681 HB3 ASP 91 2HB ASP 91 9.592 1.291 10.011 682 H LEU 92 H LEU 92 7.011 0.907 8.235 683 HA LEU 92 HA LEU 92 7.778 3.490 7.467 684 HB2 LEU 92 1HB LEU 92 6.524 1.129 6.273 685 HB3 LEU 92 2HB LEU 92 5.969 2.637 5.574 686 HG LEU 92 HG LEU 92 8.911 2.344 5.900 687 HD11 LEU 92 1HD1 LEU 92 7.273 0.413 4.389 688 HD12 LEU 92 2HD1 LEU 92 8.610 1.148 3.473 689 HD13 LEU 92 3HD1 LEU 92 8.941 0.288 4.996 690 HD21 LEU 92 1HD2 LEU 92 8.562 4.271 4.785 691 HD22 LEU 92 2HD2 LEU 92 8.480 3.194 3.370 692 HD23 LEU 92 3HD2 LEU 92 6.981 3.751 4.152 693 H LEU 93 H LEU 93 4.407 2.130 7.504 694 HA LEU 93 HA LEU 93 3.103 4.512 7.295 695 HB2 LEU 93 1HB LEU 93 2.315 1.987 8.749 696 HB3 LEU 93 2HB LEU 93 1.218 3.321 8.451 697 HG LEU 93 HG LEU 93 2.587 1.610 6.359 698 HD11 LEU 93 1HD1 LEU 93 0.468 0.666 5.903 699 HD12 LEU 93 2HD1 LEU 93 0.657 0.624 7.672 700 HD13 LEU 93 3HD1 LEU 93 -0.372 1.864 6.916 701 HD21 LEU 93 1HD2 LEU 93 1.422 4.272 6.165 702 HD22 LEU 93 2HD2 LEU 93 2.376 3.346 4.982 703 HD23 LEU 93 3HD2 LEU 93 0.617 3.101 5.093 704 H SER 94 H SER 94 4.215 2.848 10.312 705 HA SER 94 HA SER 94 3.173 4.366 12.197 706 HB2 SER 94 1HB SER 94 5.292 2.589 12.048 707 HB3 SER 94 2HB SER 94 6.104 4.054 12.563 708 HG SER 94 HG SER 94 3.883 3.916 14.053 709 H ASP 95 H ASP 95 6.268 5.201 10.464 710 HA ASP 95 HA ASP 95 6.578 7.653 11.674 711 HB2 ASP 95 1HB ASP 95 7.894 6.113 9.713 712 HB3 ASP 95 2HB ASP 95 7.470 7.586 8.864 713 H MET 96 H MET 96 4.790 6.563 8.745 714 HA MET 96 HA MET 96 4.199 9.200 7.895 715 HB2 MET 96 1HB MET 96 2.866 6.531 7.171 716 HB3 MET 96 2HB MET 96 2.753 8.010 6.238 717 HG2 MET 96 1HG MET 96 5.468 7.792 6.352 718 HG3 MET 96 2HG MET 96 5.054 6.095 6.493 719 HE1 MET 96 1HE MET 96 3.591 4.752 4.190 720 HE2 MET 96 2HE MET 96 2.579 5.712 5.296 721 HE3 MET 96 3HE MET 96 2.421 5.923 3.536 722 H HIS 97 H HIS 97 1.837 9.930 7.571 723 HA HIS 97 HA HIS 97 -0.131 8.832 9.266 724 HB2 HIS 97 1HB HIS 97 -0.091 11.307 10.474 725 HB3 HIS 97 2HB HIS 97 0.420 9.794 11.195 726 HD1 HIS 97 1HD HIS 97 2.082 12.404 8.905 727 HD2 HIS 97 2HD HIS 97 2.905 10.038 12.270 728 HE1 HIS 97 1HE HIS 97 4.466 12.973 9.613 729 H GLY 98 H GLY 98 -2.206 9.961 9.010 730 HA2 GLY 98 1HA GLY 98 -3.544 11.613 8.050 731 HA3 GLY 98 2HA GLY 98 -2.225 12.100 7.005 732 H THR 99 H THR 99 -4.045 11.963 5.338 733 HA THR 99 HA THR 99 -5.101 9.434 4.640 734 HB THR 99 HB THR 99 -4.763 11.915 2.883 735 HG1 THR 99 1HG THR 99 -6.722 12.568 4.041 736 HG21 THR 99 1HG2 THR 99 -5.831 9.847 1.856 737 HG22 THR 99 2HG2 THR 99 -7.041 9.886 3.162 738 HG23 THR 99 3HG2 THR 99 -6.950 11.225 1.992 739 H LEU 100 H LEU 100 -3.851 7.736 4.130 740 HA LEU 100 HA LEU 100 -1.571 8.274 2.368 741 HB2 LEU 100 1HB LEU 100 -1.996 5.708 3.851 742 HB3 LEU 100 2HB LEU 100 -0.508 6.419 3.258 743 HG LEU 100 HG LEU 100 -1.462 8.272 5.129 744 HD11 LEU 100 1HD1 LEU 100 -1.903 5.441 6.100 745 HD12 LEU 100 2HD1 LEU 100 -1.709 6.842 7.180 746 HD13 LEU 100 3HD1 LEU 100 -3.077 6.778 6.042 747 HD21 LEU 100 1HD2 LEU 100 0.449 6.798 6.473 748 HD22 LEU 100 2HD2 LEU 100 0.809 6.472 4.761 749 HD23 LEU 100 3HD2 LEU 100 0.752 8.149 5.356 750 H THR 101 H THR 101 -1.451 7.360 0.340 751 HA THR 101 HA THR 101 -3.910 6.105 -0.590 752 HB THR 101 HB THR 101 -1.452 7.357 -1.901 753 HG1 THR 101 1HG THR 101 -2.930 8.997 -1.790 754 HG21 THR 101 1HG2 THR 101 -2.954 5.281 -3.060 755 HG22 THR 101 2HG2 THR 101 -3.778 6.755 -3.622 756 HG23 THR 101 3HG2 THR 101 -2.045 6.522 -3.955 757 H PHE 102 H PHE 102 -4.039 3.985 -0.063 758 HA PHE 102 HA PHE 102 -1.644 2.374 -0.270 759 HB2 PHE 102 1HB PHE 102 -4.580 1.902 0.517 760 HB3 PHE 102 2HB PHE 102 -3.380 0.625 0.560 761 HD1 PHE 102 1HD PHE 102 -4.264 3.911 2.020 762 HD2 PHE 102 2HD PHE 102 -1.928 0.388 2.404 763 HE1 PHE 102 1HE PHE 102 -3.626 4.587 4.352 764 HE2 PHE 102 2HE PHE 102 -1.291 1.065 4.735 765 HZ PHE 102 HZ PHE 102 -2.147 3.156 5.682 766 H VAL 103 H VAL 103 -1.089 1.263 -2.080 767 HA VAL 103 HA VAL 103 -3.202 0.862 -4.075 768 HB VAL 103 HB VAL 103 -0.204 0.849 -4.452 769 HG11 VAL 103 1HG1 VAL 103 -2.572 0.574 -6.260 770 HG12 VAL 103 2HG1 VAL 103 -1.151 1.459 -6.865 771 HG13 VAL 103 3HG1 VAL 103 -0.984 -0.227 -6.320 772 HG21 VAL 103 1HG2 VAL 103 -0.274 3.068 -4.161 773 HG22 VAL 103 2HG2 VAL 103 -1.208 3.140 -5.675 774 HG23 VAL 103 3HG2 VAL 103 -2.053 3.084 -4.109 775 H LEU 104 H LEU 104 -4.123 -1.097 -3.514 776 HA LEU 104 HA LEU 104 -2.302 -3.373 -3.667 777 HB2 LEU 104 1HB LEU 104 -3.870 -4.350 -1.797 778 HB3 LEU 104 2HB LEU 104 -2.413 -3.453 -1.421 779 HG LEU 104 HG LEU 104 -4.272 -1.439 -1.503 780 HD11 LEU 104 1HD1 LEU 104 -6.004 -3.340 -1.761 781 HD12 LEU 104 2HD1 LEU 104 -5.703 -3.641 -0.033 782 HD13 LEU 104 3HD1 LEU 104 -6.309 -2.055 -0.567 783 HD21 LEU 104 1HD2 LEU 104 -2.472 -2.028 0.205 784 HD22 LEU 104 2HD2 LEU 104 -3.958 -1.264 0.821 785 HD23 LEU 104 3HD2 LEU 104 -3.715 -3.017 1.009 786 H ILE 105 H ILE 105 -3.652 -5.473 -3.940 787 HA ILE 105 HA ILE 105 -5.981 -4.803 -5.604 788 HB ILE 105 HB ILE 105 -4.047 -7.088 -5.992 789 HG12 ILE 105 1HG1 ILE 105 -4.124 -4.915 -7.989 790 HG13 ILE 105 2HG1 ILE 105 -3.451 -4.451 -6.440 791 HG21 ILE 105 1HG2 ILE 105 -6.089 -6.035 -7.950 792 HG22 ILE 105 2HG2 ILE 105 -5.191 -7.571 -7.987 793 HG23 ILE 105 3HG2 ILE 105 -6.466 -7.315 -6.772 794 HD11 ILE 105 1HD1 ILE 105 -2.064 -5.762 -8.453 795 HD12 ILE 105 2HD1 ILE 105 -1.574 -5.710 -6.743 796 HD13 ILE 105 3HD1 ILE 105 -2.501 -7.098 -7.361 797 HA PRO 106 HA PRO 106 -8.096 -7.322 -2.780 798 HB2 PRO 106 1HB PRO 106 -10.530 -7.374 -4.022 799 HB3 PRO 106 2HB PRO 106 -10.010 -6.059 -2.988 800 HG2 PRO 106 1HG PRO 106 -10.194 -6.136 -5.938 801 HG3 PRO 106 2HG PRO 106 -10.094 -4.742 -4.880 802 HD2 PRO 106 1HD PRO 106 -7.977 -5.846 -6.470 803 HD3 PRO 106 2HD PRO 106 -7.849 -4.525 -5.326 804 H SER 107 H SER 107 -7.699 -9.403 -2.419 805 HA SER 107 HA SER 107 -7.482 -11.058 -4.716 806 HB2 SER 107 1HB SER 107 -5.949 -11.340 -2.816 807 HB3 SER 107 2HB SER 107 -7.289 -11.659 -1.733 808 HG SER 107 HG SER 107 -6.672 -13.695 -2.246 809 H SER 108 H SER 108 -9.706 -10.931 -5.547 810 HA SER 108 HA SER 108 -11.784 -11.905 -3.852 811 HB2 SER 108 1HB SER 108 -11.560 -10.708 -6.577 812 HB3 SER 108 2HB SER 108 -12.894 -11.824 -6.362 813 HG SER 108 HG SER 108 -13.275 -10.482 -4.279 814 H GLY 109 H GLY 109 -9.932 -13.892 -3.839 815 HA2 GLY 109 1HA GLY 109 -10.367 -15.772 -5.995 816 HA3 GLY 109 2HA GLY 109 -9.367 -15.980 -4.571 817 HA PRO 110 HA PRO 110 -12.550 -18.255 -2.703 818 HB2 PRO 110 1HB PRO 110 -12.183 -17.790 -0.036 819 HB3 PRO 110 2HB PRO 110 -11.200 -18.911 -0.957 820 HG2 PRO 110 1HG PRO 110 -10.507 -16.208 0.019 821 HG3 PRO 110 2HG PRO 110 -9.438 -17.489 -0.516 822 HD2 PRO 110 1HD PRO 110 -10.178 -15.144 -1.991 823 HD3 PRO 110 2HD PRO 110 -9.203 -16.481 -2.568 824 H SER 111 H SER 111 -14.442 -17.438 -3.558 825 HA SER 111 HA SER 111 -15.696 -15.596 -1.679 826 HB2 SER 111 1HB SER 111 -15.060 -15.119 -4.430 827 HB3 SER 111 2HB SER 111 -16.801 -15.299 -4.344 828 HG SER 111 HG SER 111 -16.964 -13.410 -3.345 829 H SER 112 H SER 112 -17.803 -16.148 -1.059 830 HA SER 112 HA SER 112 -18.690 -18.711 -2.024 831 HB2 SER 112 1HB SER 112 -18.582 -18.064 0.451 832 HB3 SER 112 2HB SER 112 -19.927 -16.981 0.157 833 HG SER 112 HG SER 112 -21.202 -18.814 -0.533 834 H GLY 113 H GLY 113 -20.655 -19.060 -3.145 835 HA2 GLY 113 1HA GLY 113 -22.859 -17.582 -3.406 836 HA3 GLY 113 2HA GLY 113 -21.756 -16.706 -4.448 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 11.256 43.420 -4.665 2 HA2 GLY 1 1HA GLY 1 9.371 43.283 -5.975 3 HA3 GLY 1 2HA GLY 1 9.208 41.578 -5.602 4 H SER 2 H SER 2 8.597 41.021 -3.251 5 HA SER 2 HA SER 2 7.238 41.176 -1.566 6 HB2 SER 2 1HB SER 2 8.163 43.986 -1.848 7 HB3 SER 2 2HB SER 2 6.650 43.815 -0.980 8 HG SER 2 HG SER 2 8.679 43.686 0.334 9 H SER 3 H SER 3 4.971 41.069 -1.279 10 HA SER 3 HA SER 3 2.864 41.162 -1.790 11 HB2 SER 3 1HB SER 3 3.814 43.838 -2.658 12 HB3 SER 3 2HB SER 3 2.324 43.330 -3.429 13 HG SER 3 HG SER 3 2.812 44.040 -0.757 14 H GLY 4 H GLY 4 1.375 40.472 -3.479 15 HA2 GLY 4 1HA GLY 4 1.038 40.398 -5.927 16 HA3 GLY 4 2HA GLY 4 2.720 39.925 -6.059 17 H SER 5 H SER 5 0.402 38.396 -6.993 18 HA SER 5 HA SER 5 0.091 36.298 -5.068 19 HB2 SER 5 1HB SER 5 -1.508 37.305 -7.086 20 HB3 SER 5 2HB SER 5 -0.877 35.857 -7.845 21 HG SER 5 HG SER 5 -1.901 34.573 -6.392 22 H SER 6 H SER 6 0.782 34.075 -5.411 23 HA SER 6 HA SER 6 2.542 33.637 -7.646 24 HB2 SER 6 1HB SER 6 3.716 34.495 -5.346 25 HB3 SER 6 2HB SER 6 3.650 32.778 -4.998 26 HG SER 6 HG SER 6 5.112 32.352 -6.545 27 H GLY 7 H GLY 7 1.216 31.984 -8.452 28 HA2 GLY 7 1HA GLY 7 0.165 29.965 -6.650 29 HA3 GLY 7 2HA GLY 7 -0.117 30.120 -8.373 30 HA PRO 8 HA PRO 8 3.221 26.996 -7.452 31 HB2 PRO 8 1HB PRO 8 1.824 24.655 -7.260 32 HB3 PRO 8 2HB PRO 8 2.369 25.563 -5.864 33 HG2 PRO 8 1HG PRO 8 -0.359 25.341 -6.981 34 HG3 PRO 8 2HG PRO 8 0.134 25.873 -5.386 35 HD2 PRO 8 1HD PRO 8 -0.718 27.535 -7.563 36 HD3 PRO 8 2HD PRO 8 -0.114 28.073 -6.008 37 H ILE 9 H ILE 9 3.302 24.555 -8.676 38 HA ILE 9 HA ILE 9 2.507 25.302 -11.404 39 HB ILE 9 HB ILE 9 5.010 23.822 -10.592 40 HG12 ILE 9 1HG1 ILE 9 4.859 26.658 -11.631 41 HG13 ILE 9 2HG1 ILE 9 4.875 26.288 -9.918 42 HG21 ILE 9 1HG2 ILE 9 4.193 24.956 -13.280 43 HG22 ILE 9 2HG2 ILE 9 5.666 24.030 -12.901 44 HG23 ILE 9 3HG2 ILE 9 4.072 23.242 -12.815 45 HD11 ILE 9 1HD1 ILE 9 6.963 24.727 -11.101 46 HD12 ILE 9 2HD1 ILE 9 7.100 26.374 -11.760 47 HD13 ILE 9 3HD1 ILE 9 7.128 26.115 -9.999 48 H THR 10 H THR 10 1.232 23.851 -12.445 49 HA THR 10 HA THR 10 0.541 21.437 -11.003 50 HB THR 10 HB THR 10 -0.485 22.652 -13.624 51 HG1 THR 10 1HG THR 10 -1.482 22.634 -10.864 52 HG21 THR 10 1HG2 THR 10 -1.393 20.456 -13.586 53 HG22 THR 10 2HG2 THR 10 -1.410 20.398 -11.807 54 HG23 THR 10 3HG2 THR 10 -2.610 21.383 -12.676 55 H ASP 11 H ASP 11 0.383 19.322 -12.143 56 HA ASP 11 HA ASP 11 2.174 19.031 -14.352 57 HB2 ASP 11 1HB ASP 11 2.704 17.406 -11.832 58 HB3 ASP 11 2HB ASP 11 3.690 17.477 -13.279 59 H GLU 12 H GLU 12 0.542 17.985 -15.570 60 HA GLU 12 HA GLU 12 -0.719 15.703 -14.262 61 HB2 GLU 12 1HB GLU 12 -2.520 16.019 -16.053 62 HB3 GLU 12 2HB GLU 12 -2.436 17.264 -14.822 63 HG2 GLU 12 1HG GLU 12 -1.326 18.807 -16.296 64 HG3 GLU 12 2HG GLU 12 -0.924 17.549 -17.448 65 H ARG 13 H ARG 13 1.956 15.770 -15.563 66 HA ARG 13 HA ARG 13 1.340 14.051 -17.832 67 HB2 ARG 13 1HB ARG 13 3.928 15.593 -17.291 68 HB3 ARG 13 2HB ARG 13 3.578 14.652 -18.728 69 HG2 ARG 13 1HG ARG 13 1.589 16.785 -18.008 70 HG3 ARG 13 2HG ARG 13 3.153 17.336 -18.577 71 HD2 ARG 13 1HD ARG 13 2.204 15.144 -20.260 72 HD3 ARG 13 2HD ARG 13 0.976 16.390 -20.157 73 HE ARG 13 HE ARG 13 3.597 16.626 -21.439 74 HH11 ARG 13 2HH2 ARG 13 0.940 18.411 -19.978 75 HH12 ARG 13 1HH2 ARG 13 1.300 19.884 -20.816 76 HH21 ARG 13 2HH1 ARG 13 4.072 18.568 -22.545 77 HH22 ARG 13 1HH1 ARG 13 3.094 19.974 -22.286 78 H VAL 14 H VAL 14 2.569 14.256 -14.621 79 HA VAL 14 HA VAL 14 4.140 11.804 -14.966 80 HB VAL 14 HB VAL 14 4.068 13.681 -12.601 81 HG11 VAL 14 1HG1 VAL 14 5.697 11.287 -13.383 82 HG12 VAL 14 2HG1 VAL 14 6.465 12.580 -12.430 83 HG13 VAL 14 3HG1 VAL 14 5.025 11.745 -11.800 84 HG21 VAL 14 1HG2 VAL 14 5.315 15.165 -13.702 85 HG22 VAL 14 2HG2 VAL 14 6.504 13.902 -14.101 86 HG23 VAL 14 3HG2 VAL 14 5.128 14.204 -15.189 87 H TYR 15 H TYR 15 1.094 12.182 -14.895 88 HA TYR 15 HA TYR 15 -0.420 11.690 -12.965 89 HB2 TYR 15 1HB TYR 15 0.202 9.317 -14.819 90 HB3 TYR 15 2HB TYR 15 -1.374 9.761 -14.195 91 HD1 TYR 15 1HD TYR 15 1.324 10.860 -16.516 92 HD2 TYR 15 2HD TYR 15 -2.781 11.259 -15.379 93 HE1 TYR 15 1HE TYR 15 0.867 12.218 -18.617 94 HE2 TYR 15 2HE TYR 15 -3.225 12.615 -17.484 95 HH TYR 15 HH TYR 15 -0.678 13.820 -19.421 96 H GLU 16 H GLU 16 -0.334 10.939 -10.913 97 HA GLU 16 HA GLU 16 1.795 9.361 -10.061 98 HB2 GLU 16 1HB GLU 16 0.177 11.017 -8.772 99 HB3 GLU 16 2HB GLU 16 -0.791 9.580 -8.507 100 HG2 GLU 16 1HG GLU 16 0.613 8.866 -6.876 101 HG3 GLU 16 2HG GLU 16 1.985 8.938 -7.963 102 H SER 17 H SER 17 -0.219 7.742 -8.240 103 HA SER 17 HA SER 17 0.042 5.372 -9.655 104 HB2 SER 17 1HB SER 17 -1.718 4.598 -7.842 105 HB3 SER 17 2HB SER 17 -0.099 5.054 -7.352 106 HG SER 17 HG SER 17 -1.517 6.145 -5.978 107 H ILE 18 H ILE 18 -1.095 4.740 -11.448 108 HA ILE 18 HA ILE 18 -3.883 5.654 -11.629 109 HB ILE 18 HB ILE 18 -1.892 5.164 -13.847 110 HG12 ILE 18 1HG1 ILE 18 -3.066 7.816 -13.701 111 HG13 ILE 18 2HG1 ILE 18 -2.237 7.420 -12.208 112 HG21 ILE 18 1HG2 ILE 18 -3.536 5.282 -15.372 113 HG22 ILE 18 2HG2 ILE 18 -4.576 4.762 -14.023 114 HG23 ILE 18 3HG2 ILE 18 -4.460 6.488 -14.443 115 HD11 ILE 18 1HD1 ILE 18 -0.416 6.474 -14.032 116 HD12 ILE 18 2HD1 ILE 18 -1.127 7.830 -14.941 117 HD13 ILE 18 3HD1 ILE 18 -0.378 8.119 -13.352 118 H GLY 19 H GLY 19 -5.467 4.131 -12.149 119 HA2 GLY 19 1HA GLY 19 -4.934 1.459 -11.418 120 HA3 GLY 19 2HA GLY 19 -6.405 2.087 -12.133 121 H HIS 20 H HIS 20 -2.986 1.236 -13.010 122 HA HIS 20 HA HIS 20 -3.692 -0.534 -14.989 123 HB2 HIS 20 1HB HIS 20 -4.143 2.127 -15.838 124 HB3 HIS 20 2HB HIS 20 -2.677 1.605 -16.644 125 HD1 HIS 20 1HD HIS 20 -5.110 2.077 -18.383 126 HD2 HIS 20 2HD HIS 20 -4.267 -1.636 -16.623 127 HE1 HIS 20 1HE HIS 20 -6.338 0.329 -19.778 128 H TYR 21 H TYR 21 -1.911 -0.729 -12.993 129 HA TYR 21 HA TYR 21 0.677 0.219 -13.653 130 HB2 TYR 21 1HB TYR 21 -0.665 -1.826 -11.823 131 HB3 TYR 21 2HB TYR 21 1.083 -1.848 -11.941 132 HD1 TYR 21 1HD TYR 21 -1.002 1.226 -12.071 133 HD2 TYR 21 2HD TYR 21 1.600 -1.207 -9.703 134 HE1 TYR 21 1HE TYR 21 -0.857 3.068 -10.325 135 HE2 TYR 21 2HE TYR 21 1.736 0.643 -7.965 136 HH TYR 21 HH TYR 21 0.814 3.764 -8.580 137 H GLY 22 H GLY 22 0.860 -0.420 -15.941 138 HA2 GLY 22 1HA GLY 22 1.525 -1.784 -17.601 139 HA3 GLY 22 2HA GLY 22 2.436 -2.633 -16.367 140 H GLY 23 H GLY 23 -0.569 -2.555 -18.263 141 HA2 GLY 23 1HA GLY 23 -2.272 -4.038 -18.462 142 HA3 GLY 23 2HA GLY 23 -0.956 -5.188 -18.591 143 H GLU 24 H GLU 24 -2.698 -3.327 -15.988 144 HA GLU 24 HA GLU 24 -3.459 -5.724 -14.724 145 HB2 GLU 24 1HB GLU 24 -0.959 -4.393 -13.843 146 HB3 GLU 24 2HB GLU 24 -2.096 -4.690 -12.544 147 HG2 GLU 24 1HG GLU 24 -1.749 -6.944 -12.604 148 HG3 GLU 24 2HG GLU 24 -1.887 -7.006 -14.350 149 H THR 25 H THR 25 -4.501 -5.139 -12.451 150 HA THR 25 HA THR 25 -5.526 -2.387 -12.546 151 HB THR 25 HB THR 25 -7.748 -3.725 -11.791 152 HG1 THR 25 1HG THR 25 -7.488 -5.866 -12.301 153 HG21 THR 25 1HG2 THR 25 -7.146 -2.381 -14.056 154 HG22 THR 25 2HG2 THR 25 -7.100 -4.031 -14.724 155 HG23 THR 25 3HG2 THR 25 -8.587 -3.421 -13.958 156 H VAL 26 H VAL 26 -5.213 -1.342 -10.690 157 HA VAL 26 HA VAL 26 -4.986 -3.009 -8.279 158 HB VAL 26 HB VAL 26 -3.550 -0.947 -7.542 159 HG11 VAL 26 1HG1 VAL 26 -2.353 -2.883 -7.461 160 HG12 VAL 26 2HG1 VAL 26 -2.835 -3.383 -9.100 161 HG13 VAL 26 3HG1 VAL 26 -1.559 -2.161 -8.881 162 HG21 VAL 26 1HG2 VAL 26 -4.141 0.092 -9.911 163 HG22 VAL 26 2HG2 VAL 26 -2.555 0.360 -9.148 164 HG23 VAL 26 3HG2 VAL 26 -2.734 -0.871 -10.422 165 H LYS 27 H LYS 27 -5.987 -2.222 -6.370 166 HA LYS 27 HA LYS 27 -8.014 -0.190 -6.936 167 HB2 LYS 27 1HB LYS 27 -8.463 -2.645 -6.074 168 HB3 LYS 27 2HB LYS 27 -8.053 -1.961 -4.515 169 HG2 LYS 27 1HG LYS 27 -9.741 -0.019 -5.326 170 HG3 LYS 27 2HG LYS 27 -10.376 -1.313 -6.323 171 HD2 LYS 27 1HD LYS 27 -10.988 -2.639 -4.449 172 HD3 LYS 27 2HD LYS 27 -9.883 -1.808 -3.373 173 HE2 LYS 27 1HE LYS 27 -11.374 -0.112 -2.931 174 HE3 LYS 27 2HE LYS 27 -11.933 -0.030 -4.590 175 HZ1 LYS 27 1HZ LYS 27 -13.151 -1.291 -2.458 176 HZ2 LYS 27 2HZ LYS 27 -13.667 -1.225 -4.006 177 HZ3 LYS 27 3HZ LYS 27 -12.727 -2.465 -3.511 178 H ILE 28 H ILE 28 -7.389 1.836 -6.405 179 HA ILE 28 HA ILE 28 -5.458 2.183 -4.282 180 HB ILE 28 HB ILE 28 -6.743 4.032 -6.284 181 HG12 ILE 28 1HG1 ILE 28 -4.169 4.251 -6.806 182 HG13 ILE 28 2HG1 ILE 28 -4.067 2.701 -5.995 183 HG21 ILE 28 1HG2 ILE 28 -4.699 5.480 -5.175 184 HG22 ILE 28 2HG2 ILE 28 -6.428 5.677 -4.799 185 HG23 ILE 28 3HG2 ILE 28 -5.398 4.672 -3.751 186 HD11 ILE 28 1HD1 ILE 28 -4.991 1.608 -7.760 187 HD12 ILE 28 2HD1 ILE 28 -6.321 2.784 -7.883 188 HD13 ILE 28 3HD1 ILE 28 -4.763 3.116 -8.677 189 H VAL 29 H VAL 29 -5.988 2.523 -2.195 190 HA VAL 29 HA VAL 29 -8.650 3.651 -1.678 191 HB VAL 29 HB VAL 29 -8.144 2.098 0.508 192 HG11 VAL 29 1HG1 VAL 29 -9.812 0.504 -0.532 193 HG12 VAL 29 2HG1 VAL 29 -10.297 2.217 -0.515 194 HG13 VAL 29 3HG1 VAL 29 -9.699 1.476 -2.019 195 HG21 VAL 29 1HG2 VAL 29 -6.174 1.081 -0.610 196 HG22 VAL 29 2HG2 VAL 29 -7.444 -0.107 -0.231 197 HG23 VAL 29 3HG2 VAL 29 -7.244 0.481 -1.899 198 H ARG 30 H ARG 30 -8.494 5.571 -0.652 199 HA ARG 30 HA ARG 30 -5.970 6.148 0.619 200 HB2 ARG 30 1HB ARG 30 -8.343 8.005 0.085 201 HB3 ARG 30 2HB ARG 30 -6.740 8.506 0.585 202 HG2 ARG 30 1HG ARG 30 -5.861 7.352 -1.560 203 HG3 ARG 30 2HG ARG 30 -7.534 7.230 -2.067 204 HD2 ARG 30 1HD ARG 30 -7.741 9.755 -1.744 205 HD3 ARG 30 2HD ARG 30 -6.017 9.807 -1.435 206 HE ARG 30 HE ARG 30 -6.284 8.412 -3.858 207 HH11 ARG 30 2HH2 ARG 30 -7.139 11.604 -2.650 208 HH12 ARG 30 1HH2 ARG 30 -7.008 12.366 -4.200 209 HH21 ARG 30 2HH1 ARG 30 -6.111 9.416 -5.903 210 HH22 ARG 30 1HH1 ARG 30 -6.420 11.113 -6.063 211 H ILE 31 H ILE 31 -5.795 5.831 2.815 212 HA ILE 31 HA ILE 31 -8.262 6.105 4.388 213 HB ILE 31 HB ILE 31 -5.956 4.193 4.597 214 HG12 ILE 31 1HG1 ILE 31 -8.945 3.716 4.721 215 HG13 ILE 31 2HG1 ILE 31 -8.017 3.667 3.234 216 HG21 ILE 31 1HG2 ILE 31 -7.544 3.648 6.786 217 HG22 ILE 31 2HG2 ILE 31 -5.952 4.443 6.814 218 HG23 ILE 31 3HG2 ILE 31 -7.436 5.425 6.797 219 HD11 ILE 31 1HD1 ILE 31 -8.423 1.504 4.897 220 HD12 ILE 31 2HD1 ILE 31 -7.085 1.639 3.732 221 HD13 ILE 31 3HD1 ILE 31 -6.825 2.073 5.439 222 H GLU 32 H GLU 32 -8.225 7.415 6.211 223 HA GLU 32 HA GLU 32 -5.824 9.032 6.406 224 HB2 GLU 32 1HB GLU 32 -7.342 10.610 7.689 225 HB3 GLU 32 2HB GLU 32 -7.796 10.353 6.016 226 HG2 GLU 32 1HG GLU 32 -9.752 9.278 6.569 227 HG3 GLU 32 2HG GLU 32 -9.017 8.401 7.896 228 H LYS 33 H LYS 33 -4.572 9.101 8.269 229 HA LYS 33 HA LYS 33 -5.642 7.721 10.617 230 HB2 LYS 33 1HB LYS 33 -3.132 7.065 9.099 231 HB3 LYS 33 2HB LYS 33 -3.181 6.830 10.834 232 HG2 LYS 33 1HG LYS 33 -4.989 5.261 10.692 233 HG3 LYS 33 2HG LYS 33 -5.400 5.748 9.060 234 HD2 LYS 33 1HD LYS 33 -4.228 3.600 8.975 235 HD3 LYS 33 2HD LYS 33 -3.217 4.828 8.240 236 HE2 LYS 33 1HE LYS 33 -2.169 5.082 10.647 237 HE3 LYS 33 2HE LYS 33 -2.913 3.528 10.969 238 HZ1 LYS 33 1HZ LYS 33 -0.824 4.172 9.046 239 HZ2 LYS 33 2HZ LYS 33 -0.874 2.967 10.146 240 HZ3 LYS 33 3HZ LYS 33 -1.774 2.869 8.787 241 H ALA 34 H ALA 34 -4.861 8.523 12.626 242 HA ALA 34 HA ALA 34 -4.065 11.264 12.486 243 HB1 ALA 34 1HB ALA 34 -4.224 9.511 14.956 244 HB2 ALA 34 2HB ALA 34 -4.482 11.267 14.825 245 HB3 ALA 34 3HB ALA 34 -5.678 10.138 14.145 246 H ARG 35 H ARG 35 -2.222 11.981 14.104 247 HA ARG 35 HA ARG 35 0.106 10.687 13.118 248 HB2 ARG 35 1HB ARG 35 -0.211 13.222 13.460 249 HB3 ARG 35 2HB ARG 35 -0.059 12.936 15.181 250 HG2 ARG 35 1HG ARG 35 2.208 12.220 14.994 251 HG3 ARG 35 2HG ARG 35 2.063 11.893 13.279 252 HD2 ARG 35 1HD ARG 35 2.458 14.083 12.690 253 HD3 ARG 35 2HD ARG 35 1.492 14.720 14.007 254 HE ARG 35 HE ARG 35 3.405 14.768 15.387 255 HH11 ARG 35 2HH2 ARG 35 4.091 12.985 12.433 256 HH12 ARG 35 1HH2 ARG 35 5.799 12.922 12.716 257 HH21 ARG 35 2HH1 ARG 35 5.657 14.685 15.762 258 HH22 ARG 35 1HH1 ARG 35 6.695 13.895 14.623 259 H ASP 36 H ASP 36 -1.638 9.109 14.932 260 HA ASP 36 HA ASP 36 0.325 8.003 16.519 261 HB2 ASP 36 1HB ASP 36 -0.555 8.550 18.787 262 HB3 ASP 36 2HB ASP 36 0.072 9.967 17.968 263 H ILE 37 H ILE 37 -1.759 7.277 14.612 264 HA ILE 37 HA ILE 37 -3.548 5.715 16.343 265 HB ILE 37 HB ILE 37 -4.027 7.291 13.879 266 HG12 ILE 37 1HG1 ILE 37 -4.815 7.629 16.395 267 HG13 ILE 37 2HG1 ILE 37 -5.805 8.112 15.032 268 HG21 ILE 37 1HG2 ILE 37 -4.408 5.069 13.007 269 HG22 ILE 37 2HG2 ILE 37 -5.418 4.652 14.411 270 HG23 ILE 37 3HG2 ILE 37 -5.968 5.889 13.256 271 HD11 ILE 37 1HD1 ILE 37 -6.025 5.361 16.325 272 HD12 ILE 37 2HD1 ILE 37 -7.010 6.756 16.829 273 HD13 ILE 37 3HD1 ILE 37 -7.157 6.113 15.175 274 HA PRO 38 HA PRO 38 -1.426 2.373 14.551 275 HB2 PRO 38 1HB PRO 38 -2.772 0.354 15.808 276 HB3 PRO 38 2HB PRO 38 -1.430 1.211 16.539 277 HG2 PRO 38 1HG PRO 38 -4.319 1.457 17.114 278 HG3 PRO 38 2HG PRO 38 -2.958 1.966 18.093 279 HD2 PRO 38 1HD PRO 38 -4.650 3.647 16.500 280 HD3 PRO 38 2HD PRO 38 -3.220 4.138 17.386 281 H LEU 39 H LEU 39 -1.507 1.102 12.749 282 HA LEU 39 HA LEU 39 -3.704 1.523 11.095 283 HB2 LEU 39 1HB LEU 39 -1.418 1.009 10.357 284 HB3 LEU 39 2HB LEU 39 -1.580 -0.623 10.976 285 HG LEU 39 HG LEU 39 -3.484 -0.976 9.369 286 HD11 LEU 39 1HD1 LEU 39 -4.313 0.640 8.082 287 HD12 LEU 39 2HD1 LEU 39 -3.389 1.784 9.085 288 HD13 LEU 39 3HD1 LEU 39 -2.694 1.171 7.566 289 HD21 LEU 39 1HD2 LEU 39 -1.119 -0.237 7.711 290 HD22 LEU 39 2HD2 LEU 39 -0.882 -1.410 9.028 291 HD23 LEU 39 3HD2 LEU 39 -2.077 -1.737 7.750 292 H GLY 40 H GLY 40 -3.004 -0.933 13.564 293 HA2 GLY 40 1HA GLY 40 -4.236 -2.619 14.395 294 HA3 GLY 40 2HA GLY 40 -5.642 -1.687 13.918 295 H ALA 41 H ALA 41 -3.087 -3.073 11.769 296 HA ALA 41 HA ALA 41 -4.966 -5.102 10.867 297 HB1 ALA 41 1HB ALA 41 -5.039 -4.383 8.635 298 HB2 ALA 41 2HB ALA 41 -5.189 -2.860 9.543 299 HB3 ALA 41 3HB ALA 41 -3.625 -3.319 8.828 300 H THR 42 H THR 42 -3.890 -7.004 10.666 301 HA THR 42 HA THR 42 -0.994 -6.931 10.817 302 HB THR 42 HB THR 42 -2.745 -9.411 10.660 303 HG1 THR 42 1HG THR 42 -3.795 -8.448 12.364 304 HG21 THR 42 1HG2 THR 42 -0.088 -8.602 11.816 305 HG22 THR 42 2HG2 THR 42 -1.076 -9.714 12.793 306 HG23 THR 42 3HG2 THR 42 -0.594 -10.169 11.141 307 H VAL 43 H VAL 43 0.425 -8.010 9.349 308 HA VAL 43 HA VAL 43 -0.741 -8.693 6.772 309 HB VAL 43 HB VAL 43 0.452 -7.163 5.532 310 HG11 VAL 43 1HG1 VAL 43 -0.084 -4.974 6.380 311 HG12 VAL 43 2HG1 VAL 43 -1.360 -6.101 6.900 312 HG13 VAL 43 3HG1 VAL 43 -0.113 -5.574 8.055 313 HG21 VAL 43 1HG2 VAL 43 2.663 -7.450 6.355 314 HG22 VAL 43 2HG2 VAL 43 2.288 -5.719 6.535 315 HG23 VAL 43 3HG2 VAL 43 2.234 -6.793 7.953 316 H ARG 44 H ARG 44 0.492 -10.227 5.618 317 HA ARG 44 HA ARG 44 2.632 -11.338 7.234 318 HB2 ARG 44 1HB ARG 44 2.209 -13.455 5.973 319 HB3 ARG 44 2HB ARG 44 0.757 -12.885 6.772 320 HG2 ARG 44 1HG ARG 44 0.678 -11.603 4.266 321 HG3 ARG 44 2HG ARG 44 1.306 -13.196 3.892 322 HD2 ARG 44 1HD ARG 44 -0.641 -14.128 5.349 323 HD3 ARG 44 2HD ARG 44 -1.319 -12.513 5.282 324 HE ARG 44 HE ARG 44 -1.946 -12.906 3.066 325 HH11 ARG 44 2HH2 ARG 44 0.573 -15.196 3.955 326 HH12 ARG 44 1HH2 ARG 44 0.464 -16.087 2.474 327 HH21 ARG 44 2HH1 ARG 44 -2.090 -14.080 1.111 328 HH22 ARG 44 1HH1 ARG 44 -1.061 -15.448 0.845 329 H ASN 45 H ASN 45 4.577 -12.198 6.066 330 HA ASN 45 HA ASN 45 5.189 -10.448 3.858 331 HB2 ASN 45 1HB ASN 45 6.744 -10.790 5.881 332 HB3 ASN 45 2HB ASN 45 7.025 -12.422 5.308 333 HD21 ASN 45 1HD2 ASN 45 6.726 -9.227 3.754 334 HD22 ASN 45 2HD2 ASN 45 8.215 -9.273 2.870 335 H GLU 46 H GLU 46 5.000 -11.252 1.762 336 HA GLU 46 HA GLU 46 4.911 -14.139 1.484 337 HB2 GLU 46 1HB GLU 46 3.423 -11.971 0.331 338 HB3 GLU 46 2HB GLU 46 4.295 -12.750 -0.974 339 HG2 GLU 46 1HG GLU 46 2.379 -14.063 1.000 340 HG3 GLU 46 2HG GLU 46 2.158 -13.883 -0.729 341 H MET 47 H MET 47 5.908 -15.018 -0.648 342 HA MET 47 HA MET 47 8.414 -15.148 -0.758 343 HB2 MET 47 1HB MET 47 6.636 -14.438 -3.146 344 HB3 MET 47 2HB MET 47 8.303 -14.931 -3.368 345 HG2 MET 47 1HG MET 47 6.879 -16.762 -1.555 346 HG3 MET 47 2HG MET 47 6.068 -16.639 -3.104 347 HE1 MET 47 1HE MET 47 8.614 -17.842 -5.672 348 HE2 MET 47 2HE MET 47 6.919 -17.450 -5.296 349 HE3 MET 47 3HE MET 47 8.153 -16.167 -5.283 350 H ASP 48 H ASP 48 6.883 -12.278 -2.399 351 HA ASP 48 HA ASP 48 9.089 -10.691 -1.482 352 HB2 ASP 48 1HB ASP 48 8.385 -10.735 -4.448 353 HB3 ASP 48 2HB ASP 48 9.703 -9.863 -3.691 354 H SER 49 H SER 49 6.035 -11.052 -1.255 355 HA SER 49 HA SER 49 5.383 -8.309 -1.968 356 HB2 SER 49 1HB SER 49 3.549 -10.723 -2.317 357 HB3 SER 49 2HB SER 49 3.068 -9.056 -2.561 358 HG SER 49 HG SER 49 5.378 -9.787 -3.985 359 H VAL 50 H VAL 50 3.686 -7.345 -0.560 360 HA VAL 50 HA VAL 50 3.625 -8.703 2.041 361 HB VAL 50 HB VAL 50 3.349 -5.774 1.337 362 HG11 VAL 50 1HG1 VAL 50 2.486 -7.168 3.634 363 HG12 VAL 50 2HG1 VAL 50 3.981 -6.323 4.103 364 HG13 VAL 50 3HG1 VAL 50 2.620 -5.407 3.413 365 HG21 VAL 50 1HG2 VAL 50 5.674 -7.492 1.952 366 HG22 VAL 50 2HG2 VAL 50 5.589 -5.928 1.106 367 HG23 VAL 50 3HG2 VAL 50 5.589 -5.979 2.885 368 H ILE 51 H ILE 51 1.768 -9.884 2.170 369 HA ILE 51 HA ILE 51 -0.670 -8.586 1.178 370 HB ILE 51 HB ILE 51 0.107 -11.478 1.496 371 HG12 ILE 51 1HG1 ILE 51 -0.670 -11.454 -0.951 372 HG13 ILE 51 2HG1 ILE 51 -0.610 -9.706 -0.845 373 HG21 ILE 51 1HG2 ILE 51 -2.647 -10.446 0.777 374 HG22 ILE 51 2HG2 ILE 51 -2.129 -12.140 0.950 375 HG23 ILE 51 3HG2 ILE 51 -2.195 -11.079 2.378 376 HD11 ILE 51 1HD1 ILE 51 1.633 -9.733 -1.129 377 HD12 ILE 51 2HD1 ILE 51 1.824 -10.777 0.301 378 HD13 ILE 51 3HD1 ILE 51 1.562 -11.503 -1.303 379 H ILE 52 H ILE 52 -2.622 -8.770 2.505 380 HA ILE 52 HA ILE 52 -2.048 -8.220 5.214 381 HB ILE 52 HB ILE 52 -4.689 -8.754 3.848 382 HG12 ILE 52 1HG1 ILE 52 -3.228 -6.940 2.835 383 HG13 ILE 52 2HG1 ILE 52 -4.838 -6.465 3.338 384 HG21 ILE 52 1HG2 ILE 52 -5.762 -7.777 5.676 385 HG22 ILE 52 2HG2 ILE 52 -4.542 -8.842 6.414 386 HG23 ILE 52 3HG2 ILE 52 -4.253 -7.088 6.321 387 HD11 ILE 52 1HD1 ILE 52 -2.634 -6.206 5.369 388 HD12 ILE 52 2HD1 ILE 52 -2.670 -5.038 4.026 389 HD13 ILE 52 3HD1 ILE 52 -4.069 -5.183 5.117 390 H SER 53 H SER 53 -2.594 -9.424 7.110 391 HA SER 53 HA SER 53 -2.855 -12.272 6.535 392 HB2 SER 53 1HB SER 53 -0.991 -12.564 7.769 393 HB3 SER 53 2HB SER 53 -0.891 -10.838 8.059 394 HG SER 53 HG SER 53 -2.155 -12.865 9.660 395 H ARG 54 H ARG 54 -3.604 -9.615 8.887 396 HA ARG 54 HA ARG 54 -6.163 -10.841 9.294 397 HB2 ARG 54 1HB ARG 54 -4.722 -11.855 11.074 398 HB3 ARG 54 2HB ARG 54 -4.268 -10.255 11.626 399 HG2 ARG 54 1HG ARG 54 -6.553 -9.747 12.301 400 HG3 ARG 54 2HG ARG 54 -7.171 -11.185 11.514 401 HD2 ARG 54 1HD ARG 54 -5.211 -12.208 13.244 402 HD3 ARG 54 2HD ARG 54 -5.914 -10.900 14.174 403 HE ARG 54 HE ARG 54 -7.889 -12.137 14.368 404 HH11 ARG 54 2HH2 ARG 54 -5.990 -13.427 11.701 405 HH12 ARG 54 1HH2 ARG 54 -7.040 -14.779 11.439 406 HH21 ARG 54 2HH1 ARG 54 -9.274 -13.921 14.024 407 HH22 ARG 54 1HH1 ARG 54 -8.921 -15.063 12.769 408 H ILE 55 H ILE 55 -7.623 -9.309 10.640 409 HA ILE 55 HA ILE 55 -6.683 -6.542 10.352 410 HB ILE 55 HB ILE 55 -9.359 -7.721 9.616 411 HG12 ILE 55 1HG1 ILE 55 -7.689 -7.981 7.886 412 HG13 ILE 55 2HG1 ILE 55 -8.860 -6.771 7.402 413 HG21 ILE 55 1HG2 ILE 55 -9.053 -4.883 9.072 414 HG22 ILE 55 2HG2 ILE 55 -10.378 -5.761 9.873 415 HG23 ILE 55 3HG2 ILE 55 -8.960 -5.240 10.814 416 HD11 ILE 55 1HD1 ILE 55 -6.859 -5.685 6.873 417 HD12 ILE 55 2HD1 ILE 55 -7.138 -5.076 8.522 418 HD13 ILE 55 3HD1 ILE 55 -5.986 -6.404 8.247 419 H VAL 56 H VAL 56 -6.568 -5.535 12.279 420 HA VAL 56 HA VAL 56 -7.899 -6.749 14.535 421 HB VAL 56 HB VAL 56 -6.201 -4.256 14.460 422 HG11 VAL 56 1HG1 VAL 56 -7.571 -4.913 16.527 423 HG12 VAL 56 2HG1 VAL 56 -6.452 -6.288 16.686 424 HG13 VAL 56 3HG1 VAL 56 -5.830 -4.621 16.761 425 HG21 VAL 56 1HG2 VAL 56 -4.489 -5.504 13.744 426 HG22 VAL 56 2HG2 VAL 56 -4.571 -6.360 15.302 427 HG23 VAL 56 3HG2 VAL 56 -5.432 -7.008 13.885 428 H LYS 57 H LYS 57 -9.423 -5.655 15.905 429 HA LYS 57 HA LYS 57 -11.171 -3.948 14.393 430 HB2 LYS 57 1HB LYS 57 -12.319 -5.564 15.613 431 HB3 LYS 57 2HB LYS 57 -11.301 -5.386 17.028 432 HG2 LYS 57 1HG LYS 57 -12.349 -3.359 17.694 433 HG3 LYS 57 2HG LYS 57 -12.978 -3.041 16.090 434 HD2 LYS 57 1HD LYS 57 -14.032 -5.584 16.958 435 HD3 LYS 57 2HD LYS 57 -14.256 -4.440 18.265 436 HE2 LYS 57 1HE LYS 57 -15.781 -3.178 17.086 437 HE3 LYS 57 2HE LYS 57 -14.915 -3.351 15.573 438 HZ1 LYS 57 1HZ LYS 57 -15.785 -5.555 15.360 439 HZ2 LYS 57 2HZ LYS 57 -16.524 -5.474 16.814 440 HZ3 LYS 57 3HZ LYS 57 -17.026 -4.519 15.589 441 H GLY 58 H GLY 58 -11.872 -1.817 15.069 442 HA2 GLY 58 1HA GLY 58 -11.612 0.235 15.980 443 HA3 GLY 58 2HA GLY 58 -10.536 -0.443 17.185 444 H GLY 59 H GLY 59 -9.431 -1.483 14.156 445 HA2 GLY 59 1HA GLY 59 -7.215 0.382 14.246 446 HA3 GLY 59 2HA GLY 59 -7.392 -1.030 13.223 447 H ALA 60 H ALA 60 -6.564 1.743 12.485 448 HA ALA 60 HA ALA 60 -8.582 3.189 11.287 449 HB1 ALA 60 1HB ALA 60 -5.839 2.916 10.054 450 HB2 ALA 60 2HB ALA 60 -6.844 4.371 10.258 451 HB3 ALA 60 3HB ALA 60 -6.027 3.648 11.665 452 H ALA 61 H ALA 61 -6.608 0.439 10.011 453 HA ALA 61 HA ALA 61 -7.542 0.463 7.421 454 HB1 ALA 61 1HB ALA 61 -7.140 -2.184 8.732 455 HB2 ALA 61 2HB ALA 61 -6.400 -1.511 7.260 456 HB3 ALA 61 3HB ALA 61 -5.792 -1.028 8.861 457 H GLU 62 H GLU 62 -8.780 -1.580 10.171 458 HA GLU 62 HA GLU 62 -10.944 -2.546 8.803 459 HB2 GLU 62 1HB GLU 62 -10.396 -3.634 10.826 460 HB3 GLU 62 2HB GLU 62 -10.328 -2.137 11.735 461 HG2 GLU 62 1HG GLU 62 -12.710 -1.925 11.805 462 HG3 GLU 62 2HG GLU 62 -12.941 -3.058 10.488 463 H LYS 63 H LYS 63 -10.739 0.318 11.028 464 HA LYS 63 HA LYS 63 -13.280 1.138 11.109 465 HB2 LYS 63 1HB LYS 63 -10.799 2.832 10.706 466 HB3 LYS 63 2HB LYS 63 -12.361 3.478 11.164 467 HG2 LYS 63 1HG LYS 63 -11.685 1.196 12.860 468 HG3 LYS 63 2HG LYS 63 -10.382 2.367 12.883 469 HD2 LYS 63 1HD LYS 63 -12.287 2.683 14.614 470 HD3 LYS 63 2HD LYS 63 -11.773 4.102 13.722 471 HE2 LYS 63 1HE LYS 63 -13.785 4.306 12.646 472 HE3 LYS 63 2HE LYS 63 -13.895 2.588 12.321 473 HZ1 LYS 63 1HZ LYS 63 -15.436 2.622 13.891 474 HZ2 LYS 63 2HZ LYS 63 -14.223 2.725 14.980 475 HZ3 LYS 63 3HZ LYS 63 -14.989 4.078 14.480 476 H SER 64 H SER 64 -11.055 2.465 8.560 477 HA SER 64 HA SER 64 -13.096 3.451 7.022 478 HB2 SER 64 1HB SER 64 -11.396 3.543 5.195 479 HB3 SER 64 2HB SER 64 -10.777 4.150 6.718 480 HG SER 64 HG SER 64 -9.328 2.564 6.798 481 H GLY 65 H GLY 65 -11.524 0.221 7.078 482 HA2 GLY 65 1HA GLY 65 -12.299 -1.768 6.327 483 HA3 GLY 65 2HA GLY 65 -13.788 -0.994 5.820 484 H LEU 66 H LEU 66 -10.406 -0.147 4.855 485 HA LEU 66 HA LEU 66 -11.224 -0.652 2.087 486 HB2 LEU 66 1HB LEU 66 -8.853 0.975 2.960 487 HB3 LEU 66 2HB LEU 66 -9.677 0.977 1.413 488 HG LEU 66 HG LEU 66 -10.551 2.221 4.014 489 HD11 LEU 66 1HD1 LEU 66 -10.000 4.145 3.049 490 HD12 LEU 66 2HD1 LEU 66 -9.253 3.195 1.743 491 HD13 LEU 66 3HD1 LEU 66 -10.934 3.757 1.585 492 HD21 LEU 66 1HD2 LEU 66 -12.282 1.337 1.727 493 HD22 LEU 66 2HD2 LEU 66 -12.576 1.251 3.480 494 HD23 LEU 66 3HD2 LEU 66 -12.684 2.814 2.636 495 H LEU 67 H LEU 67 -9.379 -1.881 4.713 496 HA LEU 67 HA LEU 67 -7.605 -3.308 2.870 497 HB2 LEU 67 1HB LEU 67 -7.442 -2.644 5.799 498 HB3 LEU 67 2HB LEU 67 -6.460 -3.912 5.091 499 HG LEU 67 HG LEU 67 -5.106 -1.979 5.172 500 HD11 LEU 67 1HD1 LEU 67 -4.305 -1.954 3.045 501 HD12 LEU 67 2HD1 LEU 67 -5.424 -3.330 2.897 502 HD13 LEU 67 3HD1 LEU 67 -5.912 -1.720 2.316 503 HD21 LEU 67 1HD2 LEU 67 -7.103 -0.412 5.430 504 HD22 LEU 67 2HD2 LEU 67 -5.697 0.204 4.529 505 HD23 LEU 67 3HD2 LEU 67 -7.143 -0.350 3.651 506 H HIS 68 H HIS 68 -7.859 -5.466 2.508 507 HA HIS 68 HA HIS 68 -9.610 -6.898 4.355 508 HB2 HIS 68 1HB HIS 68 -9.922 -6.578 1.388 509 HB3 HIS 68 2HB HIS 68 -10.407 -8.085 2.138 510 HD1 HIS 68 1HD HIS 68 -12.880 -8.054 2.437 511 HD2 HIS 68 2HD HIS 68 -11.152 -4.327 3.285 512 HE1 HIS 68 1HE HIS 68 -14.786 -6.540 3.200 513 H GLU 69 H GLU 69 -8.969 -9.011 4.802 514 HA GLU 69 HA GLU 69 -6.347 -9.633 4.513 515 HB2 GLU 69 1HB GLU 69 -8.738 -11.492 4.863 516 HB3 GLU 69 2HB GLU 69 -7.075 -12.001 5.077 517 HG2 GLU 69 1HG GLU 69 -6.750 -10.383 6.898 518 HG3 GLU 69 2HG GLU 69 -8.329 -9.679 6.613 519 H GLY 70 H GLY 70 -5.061 -10.400 2.878 520 HA2 GLY 70 1HA GLY 70 -4.705 -11.936 1.101 521 HA3 GLY 70 2HA GLY 70 -6.381 -11.761 0.619 522 H ASP 71 H ASP 71 -5.343 -8.692 1.555 523 HA ASP 71 HA ASP 71 -5.188 -7.901 -1.179 524 HB2 ASP 71 1HB ASP 71 -5.607 -6.638 1.457 525 HB3 ASP 71 2HB ASP 71 -4.569 -5.674 0.426 526 H GLU 72 H GLU 72 -3.256 -7.438 -2.281 527 HA GLU 72 HA GLU 72 -0.832 -7.732 -0.731 528 HB2 GLU 72 1HB GLU 72 -0.992 -9.141 -2.708 529 HB3 GLU 72 2HB GLU 72 -1.385 -7.770 -3.726 530 HG2 GLU 72 1HG GLU 72 0.831 -6.833 -3.498 531 HG3 GLU 72 2HG GLU 72 1.229 -7.902 -2.168 532 H VAL 73 H VAL 73 0.556 -6.041 -0.302 533 HA VAL 73 HA VAL 73 -0.293 -3.429 -1.257 534 HB VAL 73 HB VAL 73 1.847 -4.137 0.753 535 HG11 VAL 73 1HG1 VAL 73 1.890 -1.916 1.351 536 HG12 VAL 73 2HG1 VAL 73 1.536 -1.768 -0.387 537 HG13 VAL 73 3HG1 VAL 73 0.222 -1.619 0.804 538 HG21 VAL 73 1HG2 VAL 73 -0.960 -4.580 0.969 539 HG22 VAL 73 2HG2 VAL 73 0.290 -4.752 2.224 540 HG23 VAL 73 3HG2 VAL 73 -0.548 -3.196 2.010 541 H LEU 74 H LEU 74 0.827 -2.221 -2.738 542 HA LEU 74 HA LEU 74 3.413 -3.325 -3.590 543 HB2 LEU 74 1HB LEU 74 1.423 -1.990 -5.416 544 HB3 LEU 74 2HB LEU 74 2.893 -2.838 -5.853 545 HG LEU 74 HG LEU 74 0.534 -4.207 -4.542 546 HD11 LEU 74 1HD1 LEU 74 -0.597 -4.225 -6.449 547 HD12 LEU 74 2HD1 LEU 74 0.602 -3.103 -7.136 548 HD13 LEU 74 3HD1 LEU 74 0.813 -4.860 -7.330 549 HD21 LEU 74 1HD2 LEU 74 1.555 -6.256 -5.300 550 HD22 LEU 74 2HD2 LEU 74 2.843 -5.354 -6.134 551 HD23 LEU 74 3HD2 LEU 74 2.742 -5.322 -4.357 552 H GLU 75 H GLU 75 1.277 -0.416 -3.353 553 HA GLU 75 HA GLU 75 3.664 1.087 -2.728 554 HB2 GLU 75 1HB GLU 75 2.218 1.309 -5.240 555 HB3 GLU 75 2HB GLU 75 2.084 2.816 -4.357 556 HG2 GLU 75 1HG GLU 75 4.480 3.067 -4.208 557 HG3 GLU 75 2HG GLU 75 4.762 1.408 -4.697 558 H ILE 76 H ILE 76 3.280 2.845 -1.294 559 HA ILE 76 HA ILE 76 0.485 3.298 -0.570 560 HB ILE 76 HB ILE 76 2.709 2.427 1.258 561 HG12 ILE 76 1HG1 ILE 76 -0.113 1.445 0.754 562 HG13 ILE 76 2HG1 ILE 76 1.381 0.635 0.325 563 HG21 ILE 76 1HG2 ILE 76 0.410 3.021 2.792 564 HG22 ILE 76 2HG2 ILE 76 2.013 3.792 2.860 565 HG23 ILE 76 3HG2 ILE 76 0.751 4.456 1.795 566 HD11 ILE 76 1HD1 ILE 76 0.117 0.986 3.035 567 HD12 ILE 76 2HD1 ILE 76 0.898 -0.448 2.327 568 HD13 ILE 76 3HD1 ILE 76 1.892 0.894 2.943 569 H ASN 77 H ASN 77 0.287 5.374 -1.297 570 HA ASN 77 HA ASN 77 0.443 7.559 -0.974 571 HB2 ASN 77 1HB ASN 77 1.964 6.828 1.177 572 HB3 ASN 77 2HB ASN 77 3.223 7.544 0.190 573 HD21 ASN 77 1HD2 ASN 77 0.998 8.129 2.520 574 HD22 ASN 77 2HD2 ASN 77 0.764 9.837 2.352 575 H GLY 78 H GLY 78 3.310 5.587 -1.851 576 HA2 GLY 78 1HA GLY 78 3.616 6.369 -4.420 577 HA3 GLY 78 2HA GLY 78 4.478 7.616 -3.541 578 H ILE 79 H ILE 79 5.106 5.617 -1.286 579 HA ILE 79 HA ILE 79 7.572 4.729 -2.412 580 HB ILE 79 HB ILE 79 6.379 4.179 0.306 581 HG12 ILE 79 1HG1 ILE 79 8.237 6.171 0.652 582 HG13 ILE 79 2HG1 ILE 79 7.510 6.634 -0.874 583 HG21 ILE 79 1HG2 ILE 79 9.291 4.241 -0.511 584 HG22 ILE 79 2HG2 ILE 79 8.588 3.695 1.031 585 HG23 ILE 79 3HG2 ILE 79 8.315 2.754 -0.455 586 HD11 ILE 79 1HD1 ILE 79 5.775 7.497 0.298 587 HD12 ILE 79 2HD1 ILE 79 5.330 5.835 0.755 588 HD13 ILE 79 3HD1 ILE 79 6.392 6.795 1.813 589 H GLU 80 H GLU 80 8.318 2.526 -2.580 590 HA GLU 80 HA GLU 80 6.204 0.822 -3.457 591 HB2 GLU 80 1HB GLU 80 8.823 1.206 -4.243 592 HB3 GLU 80 2HB GLU 80 8.964 -0.276 -3.319 593 HG2 GLU 80 1HG GLU 80 6.801 -0.996 -4.710 594 HG3 GLU 80 2HG GLU 80 7.340 0.252 -5.816 595 H ILE 81 H ILE 81 5.763 -1.334 -2.637 596 HA ILE 81 HA ILE 81 6.711 -1.697 0.121 597 HB ILE 81 HB ILE 81 3.999 -2.251 -1.081 598 HG12 ILE 81 1HG1 ILE 81 4.772 0.119 -0.272 599 HG13 ILE 81 2HG1 ILE 81 3.181 -0.490 0.140 600 HG21 ILE 81 1HG2 ILE 81 4.010 -4.020 0.316 601 HG22 ILE 81 2HG2 ILE 81 5.338 -3.373 1.310 602 HG23 ILE 81 3HG2 ILE 81 3.677 -2.779 1.548 603 HD11 ILE 81 1HD1 ILE 81 4.681 0.544 2.034 604 HD12 ILE 81 2HD1 ILE 81 3.780 -0.953 2.376 605 HD13 ILE 81 3HD1 ILE 81 5.517 -1.028 1.995 606 H ARG 82 H ARG 82 5.739 -3.215 -2.993 607 HA ARG 82 HA ARG 82 6.096 -5.806 -2.336 608 HB2 ARG 82 1HB ARG 82 5.261 -5.200 -4.529 609 HB3 ARG 82 2HB ARG 82 6.711 -4.295 -4.913 610 HG2 ARG 82 1HG ARG 82 7.704 -6.150 -5.755 611 HG3 ARG 82 2HG ARG 82 7.490 -6.998 -4.235 612 HD2 ARG 82 1HD ARG 82 6.175 -8.368 -5.560 613 HD3 ARG 82 2HD ARG 82 4.946 -7.197 -5.125 614 HE ARG 82 HE ARG 82 6.315 -6.238 -7.447 615 HH11 ARG 82 2HH2 ARG 82 4.104 -8.803 -6.492 616 HH12 ARG 82 1HH2 ARG 82 3.387 -8.945 -8.063 617 HH21 ARG 82 2HH1 ARG 82 5.371 -6.425 -9.520 618 HH22 ARG 82 1HH1 ARG 82 4.113 -7.583 -9.796 619 H GLY 83 H GLY 83 7.832 -6.679 -1.230 620 HA2 GLY 83 1HA GLY 83 10.048 -7.549 -1.515 621 HA3 GLY 83 2HA GLY 83 10.530 -6.029 -2.242 622 H LYS 84 H LYS 84 8.597 -4.760 -0.024 623 HA LYS 84 HA LYS 84 10.743 -4.213 1.774 624 HB2 LYS 84 1HB LYS 84 7.832 -3.369 1.736 625 HB3 LYS 84 2HB LYS 84 9.005 -2.797 2.905 626 HG2 LYS 84 1HG LYS 84 10.410 -2.306 0.622 627 HG3 LYS 84 2HG LYS 84 8.786 -2.184 -0.026 628 HD2 LYS 84 1HD LYS 84 8.194 -0.406 1.480 629 HD3 LYS 84 2HD LYS 84 9.571 -0.714 2.519 630 HE2 LYS 84 1HE LYS 84 9.903 0.151 -0.385 631 HE3 LYS 84 2HE LYS 84 9.747 1.313 0.918 632 HZ1 LYS 84 1HZ LYS 84 11.624 -0.025 1.969 633 HZ2 LYS 84 2HZ LYS 84 11.882 -0.622 0.471 634 HZ3 LYS 84 3HZ LYS 84 11.994 0.985 0.740 635 H ASP 85 H ASP 85 10.606 -4.516 4.151 636 HA ASP 85 HA ASP 85 9.806 -7.193 4.664 637 HB2 ASP 85 1HB ASP 85 11.793 -6.653 5.778 638 HB3 ASP 85 2HB ASP 85 11.282 -5.012 6.120 639 H VAL 86 H VAL 86 8.032 -7.850 5.992 640 HA VAL 86 HA VAL 86 5.763 -6.426 6.098 641 HB VAL 86 HB VAL 86 6.124 -8.822 6.673 642 HG11 VAL 86 1HG1 VAL 86 6.655 -9.460 8.964 643 HG12 VAL 86 2HG1 VAL 86 7.983 -8.495 8.276 644 HG13 VAL 86 3HG1 VAL 86 6.843 -7.750 9.423 645 HG21 VAL 86 1HG2 VAL 86 3.977 -8.638 7.250 646 HG22 VAL 86 2HG2 VAL 86 4.495 -8.317 8.923 647 HG23 VAL 86 3HG2 VAL 86 4.222 -6.963 7.800 648 H ASN 87 H ASN 87 8.422 -6.379 8.544 649 HA ASN 87 HA ASN 87 7.092 -4.691 10.298 650 HB2 ASN 87 1HB ASN 87 9.604 -6.006 10.157 651 HB3 ASN 87 2HB ASN 87 10.015 -4.306 10.262 652 HD21 ASN 87 1HD2 ASN 87 7.757 -6.675 11.664 653 HD22 ASN 87 2HD2 ASN 87 7.855 -6.130 13.305 654 H GLU 88 H GLU 88 9.428 -4.160 7.578 655 HA GLU 88 HA GLU 88 9.938 -1.529 7.887 656 HB2 GLU 88 1HB GLU 88 10.043 -3.486 5.728 657 HB3 GLU 88 2HB GLU 88 9.607 -1.912 5.092 658 HG2 GLU 88 1HG GLU 88 11.611 -1.146 6.769 659 HG3 GLU 88 2HG GLU 88 12.145 -2.782 6.441 660 H VAL 89 H VAL 89 7.141 -3.025 6.123 661 HA VAL 89 HA VAL 89 5.976 -0.680 5.253 662 HB VAL 89 HB VAL 89 4.838 -3.362 6.037 663 HG11 VAL 89 1HG1 VAL 89 3.379 -0.964 5.677 664 HG12 VAL 89 2HG1 VAL 89 3.153 -1.923 4.194 665 HG13 VAL 89 3HG1 VAL 89 2.749 -2.626 5.779 666 HG21 VAL 89 1HG2 VAL 89 6.435 -2.644 3.910 667 HG22 VAL 89 2HG2 VAL 89 5.339 -4.046 3.955 668 HG23 VAL 89 3HG2 VAL 89 4.799 -2.517 3.221 669 H PHE 90 H PHE 90 5.413 -2.523 8.329 670 HA PHE 90 HA PHE 90 3.522 -0.800 9.373 671 HB2 PHE 90 1HB PHE 90 5.731 -2.564 10.574 672 HB3 PHE 90 2HB PHE 90 4.520 -1.799 11.584 673 HD1 PHE 90 1HD PHE 90 2.139 -2.147 9.753 674 HD2 PHE 90 2HD PHE 90 5.215 -4.832 10.910 675 HE1 PHE 90 1HE PHE 90 0.592 -4.086 9.367 676 HE2 PHE 90 2HE PHE 90 3.668 -6.770 10.524 677 HZ PHE 90 HZ PHE 90 1.375 -6.374 9.757 678 H ASP 91 H ASP 91 7.108 -0.649 9.389 679 HA ASP 91 HA ASP 91 7.252 1.380 11.300 680 HB2 ASP 91 1HB ASP 91 9.072 -0.245 10.164 681 HB3 ASP 91 2HB ASP 91 9.298 1.125 9.094 682 H LEU 92 H LEU 92 6.540 1.230 7.844 683 HA LEU 92 HA LEU 92 7.227 3.939 7.274 684 HB2 LEU 92 1HB LEU 92 5.987 1.646 5.846 685 HB3 LEU 92 2HB LEU 92 5.624 3.252 5.246 686 HG LEU 92 HG LEU 92 8.482 2.887 5.738 687 HD11 LEU 92 1HD1 LEU 92 8.524 0.703 5.118 688 HD12 LEU 92 2HD1 LEU 92 7.014 0.817 4.183 689 HD13 LEU 92 3HD1 LEU 92 8.534 1.440 3.497 690 HD21 LEU 92 1HD2 LEU 92 7.700 4.766 4.493 691 HD22 LEU 92 2HD2 LEU 92 8.582 3.704 3.369 692 HD23 LEU 92 3HD2 LEU 92 6.802 3.723 3.364 693 H LEU 93 H LEU 93 4.026 2.209 7.349 694 HA LEU 93 HA LEU 93 2.409 4.366 7.233 695 HB2 LEU 93 1HB LEU 93 2.154 1.754 8.700 696 HB3 LEU 93 2HB LEU 93 0.865 2.941 8.726 697 HG LEU 93 HG LEU 93 0.713 1.056 7.012 698 HD11 LEU 93 1HD1 LEU 93 0.280 3.106 5.183 699 HD12 LEU 93 2HD1 LEU 93 -0.886 2.460 6.362 700 HD13 LEU 93 3HD1 LEU 93 0.094 3.888 6.771 701 HD21 LEU 93 1HD2 LEU 93 2.968 1.005 6.197 702 HD22 LEU 93 2HD2 LEU 93 1.896 1.487 4.860 703 HD23 LEU 93 3HD2 LEU 93 2.881 2.711 5.697 704 H SER 94 H SER 94 3.586 2.869 10.334 705 HA SER 94 HA SER 94 2.568 4.523 12.104 706 HB2 SER 94 1HB SER 94 4.772 2.755 12.018 707 HB3 SER 94 2HB SER 94 5.429 4.243 12.671 708 HG SER 94 HG SER 94 4.621 2.989 14.399 709 H ASP 95 H ASP 95 5.680 5.186 10.332 710 HA ASP 95 HA ASP 95 6.110 7.663 11.416 711 HB2 ASP 95 1HB ASP 95 7.417 6.054 9.637 712 HB3 ASP 95 2HB ASP 95 6.793 7.253 8.521 713 H MET 96 H MET 96 4.260 6.589 8.497 714 HA MET 96 HA MET 96 3.672 9.220 7.668 715 HB2 MET 96 1HB MET 96 2.259 6.578 7.003 716 HB3 MET 96 2HB MET 96 2.164 8.049 6.056 717 HG2 MET 96 1HG MET 96 4.906 7.692 6.201 718 HG3 MET 96 2HG MET 96 4.353 6.030 6.200 719 HE1 MET 96 1HE MET 96 1.709 6.075 4.710 720 HE2 MET 96 2HE MET 96 2.121 5.901 2.987 721 HE3 MET 96 3HE MET 96 2.956 4.910 4.206 722 H HIS 97 H HIS 97 1.375 10.074 7.458 723 HA HIS 97 HA HIS 97 -0.576 9.009 9.227 724 HB2 HIS 97 1HB HIS 97 -0.635 11.302 10.508 725 HB3 HIS 97 2HB HIS 97 0.382 9.983 11.053 726 HD1 HIS 97 1HD HIS 97 0.871 12.863 8.545 727 HD2 HIS 97 2HD HIS 97 2.838 10.939 11.712 728 HE1 HIS 97 1HE HIS 97 3.105 14.061 8.832 729 H GLY 98 H GLY 98 -2.656 10.046 8.928 730 HA2 GLY 98 1HA GLY 98 -4.041 11.667 7.973 731 HA3 GLY 98 2HA GLY 98 -2.745 12.168 6.904 732 H THR 99 H THR 99 -4.459 11.983 5.191 733 HA THR 99 HA THR 99 -5.504 9.413 4.557 734 HB THR 99 HB THR 99 -5.333 11.563 2.479 735 HG1 THR 99 1HG THR 99 -6.206 13.075 3.869 736 HG21 THR 99 1HG2 THR 99 -7.624 10.084 3.878 737 HG22 THR 99 2HG2 THR 99 -7.835 11.257 2.556 738 HG23 THR 99 3HG2 THR 99 -6.984 9.723 2.257 739 H LEU 100 H LEU 100 -3.994 7.822 4.278 740 HA LEU 100 HA LEU 100 -1.815 8.392 2.426 741 HB2 LEU 100 1HB LEU 100 -2.097 5.777 3.812 742 HB3 LEU 100 2HB LEU 100 -0.658 6.686 3.396 743 HG LEU 100 HG LEU 100 -1.935 8.301 5.278 744 HD11 LEU 100 1HD1 LEU 100 -2.869 7.088 6.947 745 HD12 LEU 100 2HD1 LEU 100 -3.256 5.991 5.599 746 HD13 LEU 100 3HD1 LEU 100 -1.850 5.661 6.640 747 HD21 LEU 100 1HD2 LEU 100 -0.015 7.976 6.566 748 HD22 LEU 100 2HD2 LEU 100 0.202 6.302 6.001 749 HD23 LEU 100 3HD2 LEU 100 0.527 7.662 4.900 750 H THR 101 H THR 101 -1.619 7.433 0.416 751 HA THR 101 HA THR 101 -4.039 6.124 -0.545 752 HB THR 101 HB THR 101 -1.544 7.222 -1.948 753 HG1 THR 101 1HG THR 101 -2.733 9.006 -1.321 754 HG21 THR 101 1HG2 THR 101 -2.427 6.438 -3.903 755 HG22 THR 101 2HG2 THR 101 -3.616 5.516 -2.952 756 HG23 THR 101 3HG2 THR 101 -4.004 7.162 -3.505 757 H PHE 102 H PHE 102 -4.184 3.996 -0.153 758 HA PHE 102 HA PHE 102 -1.739 2.431 -0.231 759 HB2 PHE 102 1HB PHE 102 -4.689 1.877 0.446 760 HB3 PHE 102 2HB PHE 102 -3.440 0.654 0.569 761 HD1 PHE 102 1HD PHE 102 -4.457 3.969 1.893 762 HD2 PHE 102 2HD PHE 102 -2.141 0.468 2.513 763 HE1 PHE 102 1HE PHE 102 -3.960 4.713 4.238 764 HE2 PHE 102 2HE PHE 102 -1.643 1.212 4.858 765 HZ PHE 102 HZ PHE 102 -2.559 3.326 5.692 766 H VAL 103 H VAL 103 -1.096 1.417 -2.067 767 HA VAL 103 HA VAL 103 -3.150 0.943 -4.105 768 HB VAL 103 HB VAL 103 -0.138 1.102 -4.340 769 HG11 VAL 103 1HG1 VAL 103 -2.339 0.504 -6.279 770 HG12 VAL 103 2HG1 VAL 103 -0.951 1.466 -6.843 771 HG13 VAL 103 3HG1 VAL 103 -0.692 -0.164 -6.174 772 HG21 VAL 103 1HG2 VAL 103 -2.151 3.171 -4.177 773 HG22 VAL 103 2HG2 VAL 103 -0.381 3.319 -4.294 774 HG23 VAL 103 3HG2 VAL 103 -1.364 3.198 -5.773 775 H LEU 104 H LEU 104 -4.031 -1.031 -3.469 776 HA LEU 104 HA LEU 104 -2.161 -3.266 -3.654 777 HB2 LEU 104 1HB LEU 104 -3.654 -4.298 -1.775 778 HB3 LEU 104 2HB LEU 104 -2.257 -3.309 -1.397 779 HG LEU 104 HG LEU 104 -4.180 -1.393 -1.455 780 HD11 LEU 104 1HD1 LEU 104 -6.266 -2.067 -0.900 781 HD12 LEU 104 2HD1 LEU 104 -5.763 -3.543 -1.759 782 HD13 LEU 104 3HD1 LEU 104 -5.691 -3.479 0.018 783 HD21 LEU 104 1HD2 LEU 104 -4.020 -1.334 0.908 784 HD22 LEU 104 2HD2 LEU 104 -3.654 -3.073 1.003 785 HD23 LEU 104 3HD2 LEU 104 -2.460 -1.948 0.312 786 H ILE 105 H ILE 105 -3.308 -5.346 -4.147 787 HA ILE 105 HA ILE 105 -5.709 -4.744 -5.724 788 HB ILE 105 HB ILE 105 -3.813 -7.051 -6.120 789 HG12 ILE 105 1HG1 ILE 105 -3.730 -4.347 -7.492 790 HG13 ILE 105 2HG1 ILE 105 -2.572 -4.919 -6.308 791 HG21 ILE 105 1HG2 ILE 105 -4.883 -7.400 -8.163 792 HG22 ILE 105 2HG2 ILE 105 -6.216 -7.034 -7.042 793 HG23 ILE 105 3HG2 ILE 105 -5.628 -5.783 -8.163 794 HD11 ILE 105 1HD1 ILE 105 -2.501 -5.352 -9.103 795 HD12 ILE 105 2HD1 ILE 105 -1.446 -6.099 -7.880 796 HD13 ILE 105 3HD1 ILE 105 -2.935 -6.926 -8.395 797 HA PRO 106 HA PRO 106 -7.771 -7.304 -2.891 798 HB2 PRO 106 1HB PRO 106 -10.230 -7.309 -4.082 799 HB3 PRO 106 2HB PRO 106 -9.681 -6.026 -3.023 800 HG2 PRO 106 1HG PRO 106 -9.927 -6.019 -5.969 801 HG3 PRO 106 2HG PRO 106 -9.797 -4.656 -4.875 802 HD2 PRO 106 1HD PRO 106 -7.720 -5.724 -6.539 803 HD3 PRO 106 2HD PRO 106 -7.561 -4.437 -5.361 804 H SER 107 H SER 107 -7.407 -9.400 -2.588 805 HA SER 107 HA SER 107 -7.222 -10.991 -4.932 806 HB2 SER 107 1HB SER 107 -5.648 -11.574 -3.281 807 HB3 SER 107 2HB SER 107 -6.806 -11.430 -1.974 808 HG SER 107 HG SER 107 -6.111 -13.652 -3.395 809 H SER 108 H SER 108 -9.732 -10.140 -5.158 810 HA SER 108 HA SER 108 -11.883 -10.565 -5.010 811 HB2 SER 108 1HB SER 108 -10.834 -12.333 -6.586 812 HB3 SER 108 2HB SER 108 -11.075 -13.484 -5.286 813 HG SER 108 HG SER 108 -12.855 -13.411 -6.850 814 H GLY 109 H GLY 109 -10.500 -10.565 -2.379 815 HA2 GLY 109 1HA GLY 109 -10.788 -11.212 -0.234 816 HA3 GLY 109 2HA GLY 109 -12.489 -11.198 -0.654 817 HA PRO 110 HA PRO 110 -10.824 -15.657 -0.886 818 HB2 PRO 110 1HB PRO 110 -8.541 -16.210 0.511 819 HB3 PRO 110 2HB PRO 110 -8.560 -15.911 -1.216 820 HG2 PRO 110 1HG PRO 110 -7.660 -14.129 0.965 821 HG3 PRO 110 2HG PRO 110 -7.302 -14.035 -0.748 822 HD2 PRO 110 1HD PRO 110 -9.167 -12.413 0.708 823 HD3 PRO 110 2HD PRO 110 -8.894 -12.398 -1.023 824 H SER 111 H SER 111 -12.301 -16.788 0.190 825 HA SER 111 HA SER 111 -11.940 -16.791 3.057 826 HB2 SER 111 1HB SER 111 -13.741 -15.041 2.119 827 HB3 SER 111 2HB SER 111 -14.754 -16.468 2.026 828 HG SER 111 HG SER 111 -15.089 -16.240 4.119 829 H SER 112 H SER 112 -12.879 -18.702 4.085 830 HA SER 112 HA SER 112 -13.456 -20.763 2.110 831 HB2 SER 112 1HB SER 112 -11.746 -20.667 4.454 832 HB3 SER 112 2HB SER 112 -12.945 -21.926 4.672 833 HG SER 112 HG SER 112 -11.761 -23.124 3.363 834 H GLY 113 H GLY 113 -15.490 -21.679 2.093 835 HA2 GLY 113 1HA GLY 113 -17.413 -20.742 4.064 836 HA3 GLY 113 2HA GLY 113 -17.736 -21.624 2.585 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 6.903 43.071 -26.379 2 HA2 GLY 1 1HA GLY 1 6.057 44.872 -24.846 3 HA3 GLY 1 2HA GLY 1 4.518 44.661 -25.656 4 H SER 2 H SER 2 3.492 44.016 -23.656 5 HA SER 2 HA SER 2 4.523 41.675 -22.370 6 HB2 SER 2 1HB SER 2 3.618 43.354 -20.911 7 HB3 SER 2 2HB SER 2 2.153 43.507 -21.861 8 HG SER 2 HG SER 2 1.633 41.267 -21.237 9 H SER 3 H SER 3 3.383 39.630 -22.221 10 HA SER 3 HA SER 3 1.390 39.336 -24.332 11 HB2 SER 3 1HB SER 3 3.864 38.076 -24.143 12 HB3 SER 3 2HB SER 3 2.788 36.878 -23.452 13 HG SER 3 HG SER 3 1.411 37.288 -25.449 14 H GLY 4 H GLY 4 2.592 37.871 -21.222 15 HA2 GLY 4 1HA GLY 4 0.117 38.033 -19.911 16 HA3 GLY 4 2HA GLY 4 0.247 36.442 -20.636 17 H SER 5 H SER 5 0.514 35.242 -18.722 18 HA SER 5 HA SER 5 3.115 35.055 -17.779 19 HB2 SER 5 1HB SER 5 2.735 35.765 -15.398 20 HB3 SER 5 2HB SER 5 2.710 37.099 -16.534 21 HG SER 5 HG SER 5 0.916 36.861 -14.808 22 H SER 6 H SER 6 2.962 33.666 -15.487 23 HA SER 6 HA SER 6 2.351 31.804 -14.557 24 HB2 SER 6 1HB SER 6 -0.196 33.083 -15.207 25 HB3 SER 6 2HB SER 6 -0.360 31.339 -15.245 26 HG SER 6 HG SER 6 -0.675 31.762 -13.115 27 H GLY 7 H GLY 7 -0.051 31.540 -17.250 28 HA2 GLY 7 1HA GLY 7 0.726 30.434 -19.327 29 HA3 GLY 7 2HA GLY 7 1.520 29.261 -18.296 30 HA PRO 8 HA PRO 8 -3.012 28.258 -18.966 31 HB2 PRO 8 1HB PRO 8 -3.077 26.953 -21.366 32 HB3 PRO 8 2HB PRO 8 -3.528 28.636 -21.178 33 HG2 PRO 8 1HG PRO 8 -1.059 27.498 -22.340 34 HG3 PRO 8 2HG PRO 8 -1.715 29.113 -22.521 35 HD2 PRO 8 1HD PRO 8 0.486 28.331 -20.856 36 HD3 PRO 8 2HD PRO 8 -0.244 29.921 -20.950 37 H ILE 9 H ILE 9 -2.999 26.877 -17.269 38 HA ILE 9 HA ILE 9 -1.422 24.486 -17.557 39 HB ILE 9 HB ILE 9 -3.311 25.324 -15.356 40 HG12 ILE 9 1HG1 ILE 9 -1.411 26.944 -15.924 41 HG13 ILE 9 2HG1 ILE 9 -1.557 26.407 -14.262 42 HG21 ILE 9 1HG2 ILE 9 -1.365 23.079 -15.703 43 HG22 ILE 9 2HG2 ILE 9 -1.572 23.801 -14.089 44 HG23 ILE 9 3HG2 ILE 9 -2.971 23.098 -14.936 45 HD11 ILE 9 1HD1 ILE 9 0.790 26.340 -15.584 46 HD12 ILE 9 2HD1 ILE 9 0.375 25.129 -14.347 47 HD13 ILE 9 3HD1 ILE 9 0.170 24.744 -16.072 48 H THR 10 H THR 10 -2.116 22.525 -18.264 49 HA THR 10 HA THR 10 -5.027 22.148 -18.476 50 HB THR 10 HB THR 10 -2.904 21.401 -20.556 51 HG1 THR 10 1HG THR 10 -4.959 23.478 -20.273 52 HG21 THR 10 1HG2 THR 10 -5.967 21.452 -20.667 53 HG22 THR 10 2HG2 THR 10 -4.882 21.059 -22.022 54 HG23 THR 10 3HG2 THR 10 -4.976 19.974 -20.614 55 H ASP 11 H ASP 11 -5.658 19.820 -18.673 56 HA ASP 11 HA ASP 11 -3.975 18.353 -16.834 57 HB2 ASP 11 1HB ASP 11 -6.078 16.778 -16.901 58 HB3 ASP 11 2HB ASP 11 -6.183 18.302 -16.042 59 H GLU 12 H GLU 12 -2.525 16.935 -17.819 60 HA GLU 12 HA GLU 12 -3.403 14.956 -19.539 61 HB2 GLU 12 1HB GLU 12 -2.753 15.598 -21.679 62 HB3 GLU 12 2HB GLU 12 -3.341 17.124 -21.052 63 HG2 GLU 12 1HG GLU 12 -0.977 17.713 -20.373 64 HG3 GLU 12 2HG GLU 12 -0.422 16.221 -21.106 65 H ARG 13 H ARG 13 -2.066 13.290 -18.996 66 HA ARG 13 HA ARG 13 -0.352 12.199 -18.257 67 HB2 ARG 13 1HB ARG 13 0.743 14.039 -20.277 68 HB3 ARG 13 2HB ARG 13 1.964 13.596 -19.102 69 HG2 ARG 13 1HG ARG 13 1.710 11.246 -19.555 70 HG3 ARG 13 2HG ARG 13 0.193 11.488 -20.398 71 HD2 ARG 13 1HD ARG 13 1.365 11.588 -22.342 72 HD3 ARG 13 2HD ARG 13 2.034 13.115 -21.803 73 HE ARG 13 HE ARG 13 3.532 11.057 -20.540 74 HH11 ARG 13 2HH2 ARG 13 2.941 12.275 -23.787 75 HH12 ARG 13 1HH2 ARG 13 4.482 11.769 -24.396 76 HH21 ARG 13 2HH1 ARG 13 5.566 10.390 -21.341 77 HH22 ARG 13 1HH1 ARG 13 5.985 10.691 -22.995 78 H VAL 14 H VAL 14 -0.657 12.649 -15.992 79 HA VAL 14 HA VAL 14 1.502 13.735 -14.661 80 HB VAL 14 HB VAL 14 0.764 15.879 -15.543 81 HG11 VAL 14 1HG1 VAL 14 -1.866 15.188 -14.204 82 HG12 VAL 14 2HG1 VAL 14 -1.422 16.841 -14.693 83 HG13 VAL 14 3HG1 VAL 14 -1.568 15.559 -15.920 84 HG21 VAL 14 1HG2 VAL 14 0.017 16.708 -12.986 85 HG22 VAL 14 2HG2 VAL 14 0.973 15.232 -12.708 86 HG23 VAL 14 3HG2 VAL 14 1.674 16.587 -13.626 87 H TYR 15 H TYR 15 -1.912 12.826 -14.864 88 HA TYR 15 HA TYR 15 -2.906 12.715 -12.450 89 HB2 TYR 15 1HB TYR 15 -2.462 10.236 -14.226 90 HB3 TYR 15 2HB TYR 15 -3.814 10.470 -13.136 91 HD1 TYR 15 1HD TYR 15 -2.305 11.554 -16.334 92 HD2 TYR 15 2HD TYR 15 -5.720 11.810 -13.769 93 HE1 TYR 15 1HE TYR 15 -3.650 12.606 -18.217 94 HE2 TYR 15 2HE TYR 15 -7.053 12.862 -15.660 95 HH TYR 15 HH TYR 15 -6.951 12.809 -18.178 96 H GLU 16 H GLU 16 -2.774 11.540 -10.489 97 HA GLU 16 HA GLU 16 -0.133 10.745 -9.856 98 HB2 GLU 16 1HB GLU 16 -2.086 11.868 -8.396 99 HB3 GLU 16 2HB GLU 16 -2.454 10.197 -8.015 100 HG2 GLU 16 1HG GLU 16 0.079 9.938 -7.467 101 HG3 GLU 16 2HG GLU 16 0.153 11.688 -7.514 102 H SER 17 H SER 17 -1.307 8.633 -7.883 103 HA SER 17 HA SER 17 -0.536 6.422 -9.264 104 HB2 SER 17 1HB SER 17 -2.665 6.066 -7.181 105 HB3 SER 17 2HB SER 17 -1.132 5.236 -7.359 106 HG SER 17 HG SER 17 -0.061 6.856 -6.312 107 H ILE 18 H ILE 18 -1.424 5.884 -11.253 108 HA ILE 18 HA ILE 18 -4.305 6.057 -11.564 109 HB ILE 18 HB ILE 18 -2.078 5.443 -13.509 110 HG12 ILE 18 1HG1 ILE 18 -3.553 7.842 -14.070 111 HG13 ILE 18 2HG1 ILE 18 -3.008 7.897 -12.405 112 HG21 ILE 18 1HG2 ILE 18 -5.025 5.271 -13.744 113 HG22 ILE 18 2HG2 ILE 18 -4.180 6.114 -15.065 114 HG23 ILE 18 3HG2 ILE 18 -3.741 4.439 -14.654 115 HD11 ILE 18 1HD1 ILE 18 -0.692 7.133 -13.311 116 HD12 ILE 18 2HD1 ILE 18 -1.330 7.564 -14.916 117 HD13 ILE 18 3HD1 ILE 18 -1.195 8.807 -13.650 118 H GLY 19 H GLY 19 -5.672 4.287 -11.907 119 HA2 GLY 19 1HA GLY 19 -5.205 1.960 -10.547 120 HA3 GLY 19 2HA GLY 19 -6.358 2.144 -11.853 121 H HIS 20 H HIS 20 -5.541 1.872 -14.141 122 HA HIS 20 HA HIS 20 -4.295 -0.514 -14.482 123 HB2 HIS 20 1HB HIS 20 -5.537 1.232 -16.100 124 HB3 HIS 20 2HB HIS 20 -3.885 1.560 -16.585 125 HD1 HIS 20 1HD HIS 20 -6.487 -0.218 -17.903 126 HD2 HIS 20 2HD HIS 20 -2.635 -1.428 -16.766 127 HE1 HIS 20 1HE HIS 20 -5.999 -2.361 -19.199 128 H TYR 21 H TYR 21 -2.396 -0.960 -13.390 129 HA TYR 21 HA TYR 21 -0.225 0.959 -13.561 130 HB2 TYR 21 1HB TYR 21 -1.107 -1.465 -12.012 131 HB3 TYR 21 2HB TYR 21 0.625 -1.389 -12.269 132 HD1 TYR 21 1HD TYR 21 -1.213 1.761 -12.011 133 HD2 TYR 21 2HD TYR 21 0.945 -1.212 -9.818 134 HE1 TYR 21 1HE TYR 21 -0.989 3.361 -10.048 135 HE2 TYR 21 2HE TYR 21 1.161 0.397 -7.862 136 HH TYR 21 HH TYR 21 -0.692 3.013 -7.469 137 H GLY 22 H GLY 22 -1.108 -0.323 -16.063 138 HA2 GLY 22 1HA GLY 22 0.745 -0.708 -17.677 139 HA3 GLY 22 2HA GLY 22 1.261 -2.006 -16.619 140 H GLY 23 H GLY 23 -0.180 -3.892 -16.298 141 HA2 GLY 23 1HA GLY 23 -2.081 -4.213 -18.544 142 HA3 GLY 23 2HA GLY 23 -0.980 -5.469 -18.015 143 H GLU 24 H GLU 24 -1.193 -4.977 -15.134 144 HA GLU 24 HA GLU 24 -3.609 -6.415 -14.728 145 HB2 GLU 24 1HB GLU 24 -1.123 -6.181 -13.413 146 HB3 GLU 24 2HB GLU 24 -2.276 -5.498 -12.284 147 HG2 GLU 24 1HG GLU 24 -3.237 -7.526 -11.852 148 HG3 GLU 24 2HG GLU 24 -3.282 -7.969 -13.547 149 H THR 25 H THR 25 -4.497 -5.518 -12.200 150 HA THR 25 HA THR 25 -5.178 -2.700 -12.611 151 HB THR 25 HB THR 25 -7.596 -3.670 -11.854 152 HG1 THR 25 1HG THR 25 -7.693 -5.838 -12.383 153 HG21 THR 25 1HG2 THR 25 -6.896 -4.215 -14.741 154 HG22 THR 25 2HG2 THR 25 -8.315 -3.378 -14.067 155 HG23 THR 25 3HG2 THR 25 -6.746 -2.541 -14.154 156 H VAL 26 H VAL 26 -4.831 -1.549 -10.823 157 HA VAL 26 HA VAL 26 -4.716 -3.062 -8.309 158 HB VAL 26 HB VAL 26 -3.353 -1.050 -7.572 159 HG11 VAL 26 1HG1 VAL 26 -2.494 -3.136 -9.548 160 HG12 VAL 26 2HG1 VAL 26 -1.329 -1.884 -9.056 161 HG13 VAL 26 3HG1 VAL 26 -2.067 -2.943 -7.831 162 HG21 VAL 26 1HG2 VAL 26 -2.541 -0.490 -10.350 163 HG22 VAL 26 2HG2 VAL 26 -4.182 0.064 -9.939 164 HG23 VAL 26 3HG2 VAL 26 -2.790 0.617 -8.978 165 H LYS 27 H LYS 27 -5.734 -2.177 -6.424 166 HA LYS 27 HA LYS 27 -7.842 -0.256 -7.120 167 HB2 LYS 27 1HB LYS 27 -8.354 -2.699 -6.364 168 HB3 LYS 27 2HB LYS 27 -7.942 -2.125 -4.761 169 HG2 LYS 27 1HG LYS 27 -9.599 -0.098 -5.543 170 HG3 LYS 27 2HG LYS 27 -10.277 -1.402 -6.497 171 HD2 LYS 27 1HD LYS 27 -10.840 -2.692 -4.583 172 HD3 LYS 27 2HD LYS 27 -9.695 -1.852 -3.556 173 HE2 LYS 27 1HE LYS 27 -11.168 -0.157 -3.077 174 HE3 LYS 27 2HE LYS 27 -11.747 -0.058 -4.728 175 HZ1 LYS 27 1HZ LYS 27 -13.540 -0.947 -3.730 176 HZ2 LYS 27 2HZ LYS 27 -12.779 -2.352 -4.067 177 HZ3 LYS 27 3HZ LYS 27 -12.698 -1.719 -2.563 178 H ILE 28 H ILE 28 -7.482 1.772 -6.415 179 HA ILE 28 HA ILE 28 -5.550 2.171 -4.303 180 HB ILE 28 HB ILE 28 -7.066 4.054 -6.108 181 HG12 ILE 28 1HG1 ILE 28 -4.474 4.413 -6.717 182 HG13 ILE 28 2HG1 ILE 28 -4.390 2.743 -6.192 183 HG21 ILE 28 1HG2 ILE 28 -5.536 4.565 -3.650 184 HG22 ILE 28 2HG2 ILE 28 -5.009 5.519 -5.057 185 HG23 ILE 28 3HG2 ILE 28 -6.704 5.589 -4.518 186 HD11 ILE 28 1HD1 ILE 28 -6.722 3.273 -7.930 187 HD12 ILE 28 2HD1 ILE 28 -5.161 3.595 -8.723 188 HD13 ILE 28 3HD1 ILE 28 -5.495 1.987 -8.037 189 H VAL 29 H VAL 29 -5.980 3.061 -2.261 190 HA VAL 29 HA VAL 29 -8.736 3.684 -1.623 191 HB VAL 29 HB VAL 29 -8.123 2.087 0.494 192 HG11 VAL 29 1HG1 VAL 29 -10.281 2.088 -0.515 193 HG12 VAL 29 2HG1 VAL 29 -9.640 1.459 -2.053 194 HG13 VAL 29 3HG1 VAL 29 -9.677 0.416 -0.611 195 HG21 VAL 29 1HG2 VAL 29 -7.116 0.070 -0.150 196 HG22 VAL 29 2HG2 VAL 29 -7.282 0.430 -1.886 197 HG23 VAL 29 3HG2 VAL 29 -6.091 1.316 -0.903 198 H ARG 30 H ARG 30 -8.718 5.524 -0.442 199 HA ARG 30 HA ARG 30 -6.191 6.226 0.770 200 HB2 ARG 30 1HB ARG 30 -8.479 7.701 -0.405 201 HB3 ARG 30 2HB ARG 30 -7.931 8.404 1.104 202 HG2 ARG 30 1HG ARG 30 -5.614 8.541 0.243 203 HG3 ARG 30 2HG ARG 30 -6.086 7.730 -1.237 204 HD2 ARG 30 1HD ARG 30 -6.770 9.691 -2.156 205 HD3 ARG 30 2HD ARG 30 -7.861 9.988 -0.817 206 HE ARG 30 HE ARG 30 -5.458 10.658 0.300 207 HH11 ARG 30 2HH2 ARG 30 -6.928 11.537 -2.774 208 HH12 ARG 30 1HH2 ARG 30 -6.136 13.075 -2.859 209 HH21 ARG 30 2HH1 ARG 30 -4.414 12.687 0.189 210 HH22 ARG 30 1HH1 ARG 30 -4.697 13.734 -1.162 211 H ILE 31 H ILE 31 -5.950 5.727 2.926 212 HA ILE 31 HA ILE 31 -8.386 5.709 4.563 213 HB ILE 31 HB ILE 31 -5.805 4.169 4.745 214 HG12 ILE 31 1HG1 ILE 31 -8.697 3.271 4.572 215 HG13 ILE 31 2HG1 ILE 31 -7.572 3.317 3.229 216 HG21 ILE 31 1HG2 ILE 31 -5.975 4.386 6.972 217 HG22 ILE 31 2HG2 ILE 31 -7.659 4.958 6.896 218 HG23 ILE 31 3HG2 ILE 31 -7.306 3.215 6.810 219 HD11 ILE 31 1HD1 ILE 31 -6.435 1.915 5.554 220 HD12 ILE 31 2HD1 ILE 31 -7.946 1.169 4.981 221 HD13 ILE 31 3HD1 ILE 31 -6.576 1.375 3.864 222 H GLU 32 H GLU 32 -8.502 6.962 6.419 223 HA GLU 32 HA GLU 32 -6.402 8.943 6.594 224 HB2 GLU 32 1HB GLU 32 -9.192 8.831 7.821 225 HB3 GLU 32 2HB GLU 32 -8.067 10.152 8.064 226 HG2 GLU 32 1HG GLU 32 -7.963 10.176 5.403 227 HG3 GLU 32 2HG GLU 32 -9.486 9.318 5.523 228 H LYS 33 H LYS 33 -4.813 8.746 8.107 229 HA LYS 33 HA LYS 33 -5.502 7.285 10.560 230 HB2 LYS 33 1HB LYS 33 -3.215 6.910 8.673 231 HB3 LYS 33 2HB LYS 33 -2.894 6.738 10.386 232 HG2 LYS 33 1HG LYS 33 -4.500 4.967 10.629 233 HG3 LYS 33 2HG LYS 33 -5.258 5.328 9.091 234 HD2 LYS 33 1HD LYS 33 -3.877 3.342 8.805 235 HD3 LYS 33 2HD LYS 33 -3.133 4.654 7.914 236 HE2 LYS 33 1HE LYS 33 -2.311 4.000 10.774 237 HE3 LYS 33 2HE LYS 33 -1.582 3.191 9.401 238 HZ1 LYS 33 1HZ LYS 33 -1.148 5.815 10.350 239 HZ2 LYS 33 2HZ LYS 33 -0.251 4.931 9.312 240 HZ3 LYS 33 3HZ LYS 33 -1.503 5.820 8.756 241 H ALA 34 H ALA 34 -5.290 8.495 12.363 242 HA ALA 34 HA ALA 34 -4.409 11.152 12.209 243 HB1 ALA 34 1HB ALA 34 -4.835 11.179 14.586 244 HB2 ALA 34 2HB ALA 34 -6.076 10.154 13.827 245 HB3 ALA 34 3HB ALA 34 -4.706 9.407 14.683 246 H ARG 35 H ARG 35 -2.649 12.007 13.819 247 HA ARG 35 HA ARG 35 -0.246 10.800 12.972 248 HB2 ARG 35 1HB ARG 35 -0.651 13.016 15.044 249 HB3 ARG 35 2HB ARG 35 0.842 12.659 14.198 250 HG2 ARG 35 1HG ARG 35 -0.663 13.016 12.019 251 HG3 ARG 35 2HG ARG 35 -1.696 13.904 13.122 252 HD2 ARG 35 1HD ARG 35 1.240 14.530 13.255 253 HD3 ARG 35 2HD ARG 35 0.400 15.049 11.807 254 HE ARG 35 HE ARG 35 -1.264 15.854 13.906 255 HH11 ARG 35 2HH2 ARG 35 2.078 16.448 12.980 256 HH12 ARG 35 1HH2 ARG 35 2.131 18.023 13.699 257 HH21 ARG 35 2HH1 ARG 35 -1.195 17.931 14.855 258 HH22 ARG 35 1HH1 ARG 35 0.256 18.872 14.773 259 H ASP 36 H ASP 36 -2.401 9.850 15.290 260 HA ASP 36 HA ASP 36 -0.286 8.602 16.813 261 HB2 ASP 36 1HB ASP 36 -1.215 9.182 18.945 262 HB3 ASP 36 2HB ASP 36 -1.134 10.681 18.041 263 H ILE 37 H ILE 37 -2.237 7.798 14.674 264 HA ILE 37 HA ILE 37 -3.882 5.930 16.237 265 HB ILE 37 HB ILE 37 -4.443 7.559 13.815 266 HG12 ILE 37 1HG1 ILE 37 -5.309 7.782 16.310 267 HG13 ILE 37 2HG1 ILE 37 -6.324 8.178 14.937 268 HG21 ILE 37 1HG2 ILE 37 -6.236 6.003 13.118 269 HG22 ILE 37 2HG2 ILE 37 -4.603 5.334 12.886 270 HG23 ILE 37 3HG2 ILE 37 -5.599 4.794 14.258 271 HD11 ILE 37 1HD1 ILE 37 -7.372 6.665 16.737 272 HD12 ILE 37 2HD1 ILE 37 -7.502 6.090 15.058 273 HD13 ILE 37 3HD1 ILE 37 -6.285 5.385 16.148 274 HA PRO 38 HA PRO 38 -1.314 2.975 14.346 275 HB2 PRO 38 1HB PRO 38 -2.427 0.745 15.467 276 HB3 PRO 38 2HB PRO 38 -1.214 1.719 16.273 277 HG2 PRO 38 1HG PRO 38 -4.122 1.582 16.785 278 HG3 PRO 38 2HG PRO 38 -2.852 2.201 17.823 279 HD2 PRO 38 1HD PRO 38 -4.707 3.745 16.272 280 HD3 PRO 38 2HD PRO 38 -3.365 4.359 17.217 281 H LEU 39 H LEU 39 -1.341 1.110 12.863 282 HA LEU 39 HA LEU 39 -3.376 1.603 10.940 283 HB2 LEU 39 1HB LEU 39 -1.041 1.064 10.387 284 HB3 LEU 39 2HB LEU 39 -1.247 -0.537 11.071 285 HG LEU 39 HG LEU 39 -2.924 -1.078 9.360 286 HD11 LEU 39 1HD1 LEU 39 -3.266 0.448 7.437 287 HD12 LEU 39 2HD1 LEU 39 -3.898 1.095 8.971 288 HD13 LEU 39 3HD1 LEU 39 -2.363 1.708 8.311 289 HD21 LEU 39 1HD2 LEU 39 -1.324 -1.779 7.973 290 HD22 LEU 39 2HD2 LEU 39 -0.814 -0.121 7.576 291 HD23 LEU 39 3HD2 LEU 39 -0.188 -0.917 9.040 292 H GLY 40 H GLY 40 -2.671 -0.954 13.371 293 HA2 GLY 40 1HA GLY 40 -3.962 -2.585 14.217 294 HA3 GLY 40 2HA GLY 40 -5.352 -1.629 13.745 295 H ALA 41 H ALA 41 -2.817 -2.980 11.559 296 HA ALA 41 HA ALA 41 -4.690 -5.006 10.644 297 HB1 ALA 41 1HB ALA 41 -4.887 -4.219 8.469 298 HB2 ALA 41 2HB ALA 41 -4.882 -2.688 9.376 299 HB3 ALA 41 3HB ALA 41 -3.398 -3.249 8.571 300 H THR 42 H THR 42 -3.549 -6.872 10.650 301 HA THR 42 HA THR 42 -0.652 -6.721 10.534 302 HB THR 42 HB THR 42 -2.325 -9.244 10.788 303 HG1 THR 42 1HG THR 42 -2.817 -8.549 12.907 304 HG21 THR 42 1HG2 THR 42 -0.559 -9.923 12.300 305 HG22 THR 42 2HG2 THR 42 0.263 -9.219 10.888 306 HG23 THR 42 3HG2 THR 42 0.092 -8.269 12.384 307 H VAL 43 H VAL 43 0.655 -7.946 9.064 308 HA VAL 43 HA VAL 43 -0.755 -8.759 6.633 309 HB VAL 43 HB VAL 43 0.716 -7.546 5.235 310 HG11 VAL 43 1HG1 VAL 43 -1.126 -6.316 6.833 311 HG12 VAL 43 2HG1 VAL 43 0.323 -5.336 7.158 312 HG13 VAL 43 3HG1 VAL 43 -0.265 -5.528 5.489 313 HG21 VAL 43 1HG2 VAL 43 2.452 -7.556 7.549 314 HG22 VAL 43 2HG2 VAL 43 2.838 -7.224 5.843 315 HG23 VAL 43 3HG2 VAL 43 2.285 -5.906 6.904 316 H ARG 44 H ARG 44 0.553 -10.242 5.275 317 HA ARG 44 HA ARG 44 2.396 -11.693 6.993 318 HB2 ARG 44 1HB ARG 44 1.827 -13.487 5.011 319 HB3 ARG 44 2HB ARG 44 0.879 -13.355 6.479 320 HG2 ARG 44 1HG ARG 44 -0.709 -11.819 5.360 321 HG3 ARG 44 2HG ARG 44 0.269 -11.825 3.905 322 HD2 ARG 44 1HD ARG 44 -1.414 -13.422 3.420 323 HD3 ARG 44 2HD ARG 44 -0.060 -14.420 3.914 324 HE ARG 44 HE ARG 44 -1.441 -13.902 6.288 325 HH11 ARG 44 2HH2 ARG 44 -2.251 -15.339 3.180 326 HH12 ARG 44 1HH2 ARG 44 -3.466 -16.385 3.836 327 HH21 ARG 44 2HH1 ARG 44 -3.043 -15.281 7.155 328 HH22 ARG 44 1HH1 ARG 44 -3.920 -16.352 6.112 329 H ASN 45 H ASN 45 4.272 -12.789 5.839 330 HA ASN 45 HA ASN 45 5.268 -10.968 3.835 331 HB2 ASN 45 1HB ASN 45 6.418 -12.529 5.991 332 HB3 ASN 45 2HB ASN 45 7.165 -13.053 4.495 333 HD21 ASN 45 1HD2 ASN 45 7.008 -10.696 3.015 334 HD22 ASN 45 2HD2 ASN 45 8.072 -9.506 3.687 335 H GLU 46 H GLU 46 4.698 -11.594 1.734 336 HA GLU 46 HA GLU 46 4.478 -14.425 1.200 337 HB2 GLU 46 1HB GLU 46 3.126 -12.072 0.279 338 HB3 GLU 46 2HB GLU 46 3.925 -12.776 -1.113 339 HG2 GLU 46 1HG GLU 46 1.914 -14.103 0.747 340 HG3 GLU 46 2HG GLU 46 1.757 -13.820 -0.976 341 H MET 47 H MET 47 5.369 -15.190 -1.019 342 HA MET 47 HA MET 47 7.873 -15.466 -1.182 343 HB2 MET 47 1HB MET 47 6.056 -14.548 -3.463 344 HB3 MET 47 2HB MET 47 7.701 -15.062 -3.780 345 HG2 MET 47 1HG MET 47 6.178 -16.938 -2.046 346 HG3 MET 47 2HG MET 47 5.500 -16.755 -3.651 347 HE1 MET 47 1HE MET 47 8.468 -17.595 -5.980 348 HE2 MET 47 2HE MET 47 6.704 -17.811 -5.889 349 HE3 MET 47 3HE MET 47 7.422 -16.212 -5.579 350 H ASP 48 H ASP 48 6.458 -12.423 -2.599 351 HA ASP 48 HA ASP 48 8.735 -10.993 -1.633 352 HB2 ASP 48 1HB ASP 48 8.093 -10.869 -4.608 353 HB3 ASP 48 2HB ASP 48 9.453 -10.130 -3.786 354 H SER 49 H SER 49 5.697 -11.181 -1.396 355 HA SER 49 HA SER 49 5.168 -8.407 -2.095 356 HB2 SER 49 1HB SER 49 3.429 -10.835 -2.630 357 HB3 SER 49 2HB SER 49 2.707 -9.249 -2.443 358 HG SER 49 HG SER 49 3.477 -10.116 -4.694 359 H VAL 50 H VAL 50 3.556 -7.358 -0.657 360 HA VAL 50 HA VAL 50 3.504 -8.689 1.953 361 HB VAL 50 HB VAL 50 3.202 -5.772 1.210 362 HG11 VAL 50 1HG1 VAL 50 3.924 -6.043 3.916 363 HG12 VAL 50 2HG1 VAL 50 2.355 -5.518 3.260 364 HG13 VAL 50 3HG1 VAL 50 2.630 -7.234 3.646 365 HG21 VAL 50 1HG2 VAL 50 5.436 -5.979 0.870 366 HG22 VAL 50 2HG2 VAL 50 5.492 -5.890 2.647 367 HG23 VAL 50 3HG2 VAL 50 5.558 -7.471 1.833 368 H ILE 51 H ILE 51 1.663 -9.967 1.886 369 HA ILE 51 HA ILE 51 -0.799 -8.637 1.028 370 HB ILE 51 HB ILE 51 0.019 -11.519 1.295 371 HG12 ILE 51 1HG1 ILE 51 -0.999 -11.378 -1.132 372 HG13 ILE 51 2HG1 ILE 51 -0.683 -9.663 -0.958 373 HG21 ILE 51 1HG2 ILE 51 -2.773 -10.396 0.971 374 HG22 ILE 51 2HG2 ILE 51 -2.321 -12.077 0.598 375 HG23 ILE 51 3HG2 ILE 51 -2.165 -11.461 2.261 376 HD11 ILE 51 1HD1 ILE 51 1.701 -10.174 -0.365 377 HD12 ILE 51 2HD1 ILE 51 1.365 -11.902 -0.625 378 HD13 ILE 51 3HD1 ILE 51 1.259 -10.760 -1.986 379 H ILE 52 H ILE 52 -2.692 -8.703 2.387 380 HA ILE 52 HA ILE 52 -2.075 -8.246 5.098 381 HB ILE 52 HB ILE 52 -4.752 -8.659 3.762 382 HG12 ILE 52 1HG1 ILE 52 -3.285 -6.902 2.712 383 HG13 ILE 52 2HG1 ILE 52 -4.826 -6.334 3.324 384 HG21 ILE 52 1HG2 ILE 52 -4.661 -6.815 6.004 385 HG22 ILE 52 2HG2 ILE 52 -5.732 -8.205 5.706 386 HG23 ILE 52 3HG2 ILE 52 -4.145 -8.453 6.474 387 HD11 ILE 52 1HD1 ILE 52 -2.261 -5.337 3.986 388 HD12 ILE 52 2HD1 ILE 52 -3.807 -4.902 4.753 389 HD13 ILE 52 3HD1 ILE 52 -2.813 -6.213 5.434 390 H SER 53 H SER 53 -2.573 -9.474 6.971 391 HA SER 53 HA SER 53 -3.042 -12.287 6.353 392 HB2 SER 53 1HB SER 53 -1.476 -12.932 7.964 393 HB3 SER 53 2HB SER 53 -0.731 -11.485 7.315 394 HG SER 53 HG SER 53 -1.720 -11.980 9.873 395 H ARG 54 H ARG 54 -3.405 -9.679 8.854 396 HA ARG 54 HA ARG 54 -5.989 -10.817 9.454 397 HB2 ARG 54 1HB ARG 54 -4.375 -11.733 11.153 398 HB3 ARG 54 2HB ARG 54 -3.922 -10.099 11.596 399 HG2 ARG 54 1HG ARG 54 -6.181 -9.610 12.396 400 HG3 ARG 54 2HG ARG 54 -6.793 -11.121 11.754 401 HD2 ARG 54 1HD ARG 54 -4.698 -11.988 13.379 402 HD3 ARG 54 2HD ARG 54 -5.308 -10.610 14.273 403 HE ARG 54 HE ARG 54 -7.609 -11.998 13.549 404 HH11 ARG 54 2HH2 ARG 54 -4.658 -12.828 15.276 405 HH12 ARG 54 1HH2 ARG 54 -5.420 -14.036 16.256 406 HH21 ARG 54 2HH1 ARG 54 -8.615 -13.592 14.842 407 HH22 ARG 54 1HH1 ARG 54 -7.685 -14.474 16.007 408 H ILE 55 H ILE 55 -7.344 -9.212 10.805 409 HA ILE 55 HA ILE 55 -6.411 -6.467 10.350 410 HB ILE 55 HB ILE 55 -9.106 -7.670 9.740 411 HG12 ILE 55 1HG1 ILE 55 -7.523 -7.944 7.949 412 HG13 ILE 55 2HG1 ILE 55 -8.684 -6.711 7.498 413 HG21 ILE 55 1HG2 ILE 55 -8.662 -5.139 10.861 414 HG22 ILE 55 2HG2 ILE 55 -8.899 -4.853 9.120 415 HG23 ILE 55 3HG2 ILE 55 -10.136 -5.729 10.054 416 HD11 ILE 55 1HD1 ILE 55 -5.768 -6.468 7.998 417 HD12 ILE 55 2HD1 ILE 55 -6.835 -5.470 6.981 418 HD13 ILE 55 3HD1 ILE 55 -6.748 -5.177 8.734 419 H VAL 56 H VAL 56 -6.196 -5.409 12.240 420 HA VAL 56 HA VAL 56 -7.380 -6.531 14.603 421 HB VAL 56 HB VAL 56 -5.864 -3.938 14.330 422 HG11 VAL 56 1HG1 VAL 56 -7.028 -4.566 16.499 423 HG12 VAL 56 2HG1 VAL 56 -5.884 -5.923 16.619 424 HG13 VAL 56 3HG1 VAL 56 -5.281 -4.249 16.615 425 HG21 VAL 56 1HG2 VAL 56 -4.216 -5.180 13.402 426 HG22 VAL 56 2HG2 VAL 56 -3.949 -5.720 15.077 427 HG23 VAL 56 3HG2 VAL 56 -4.912 -6.719 13.962 428 H LYS 57 H LYS 57 -8.955 -5.540 15.950 429 HA LYS 57 HA LYS 57 -10.837 -3.955 14.465 430 HB2 LYS 57 1HB LYS 57 -11.737 -5.722 15.778 431 HB3 LYS 57 2HB LYS 57 -10.843 -5.234 17.204 432 HG2 LYS 57 1HG LYS 57 -12.661 -4.024 17.819 433 HG3 LYS 57 2HG LYS 57 -12.280 -2.917 16.515 434 HD2 LYS 57 1HD LYS 57 -14.321 -3.465 15.663 435 HD3 LYS 57 2HD LYS 57 -13.571 -4.964 15.150 436 HE2 LYS 57 1HE LYS 57 -14.232 -6.043 17.304 437 HE3 LYS 57 2HE LYS 57 -14.961 -4.542 17.840 438 HZ1 LYS 57 1HZ LYS 57 -16.581 -6.014 16.883 439 HZ2 LYS 57 2HZ LYS 57 -16.458 -4.668 15.966 440 HZ3 LYS 57 3HZ LYS 57 -15.777 -6.064 15.462 441 H GLY 58 H GLY 58 -11.336 -1.792 14.747 442 HA2 GLY 58 1HA GLY 58 -11.290 0.258 15.797 443 HA3 GLY 58 2HA GLY 58 -10.095 -0.328 16.938 444 H GLY 59 H GLY 59 -8.906 -1.485 14.091 445 HA2 GLY 59 1HA GLY 59 -6.900 0.557 13.916 446 HA3 GLY 59 2HA GLY 59 -7.031 -0.905 12.958 447 H ALA 60 H ALA 60 -6.567 2.081 12.285 448 HA ALA 60 HA ALA 60 -8.697 3.242 11.057 449 HB1 ALA 60 1HB ALA 60 -7.037 4.688 10.617 450 HB2 ALA 60 2HB ALA 60 -5.833 3.453 11.056 451 HB3 ALA 60 3HB ALA 60 -6.405 3.580 9.376 452 H ALA 61 H ALA 61 -6.716 0.466 9.971 453 HA ALA 61 HA ALA 61 -7.585 0.393 7.328 454 HB1 ALA 61 1HB ALA 61 -7.090 -2.170 8.776 455 HB2 ALA 61 2HB ALA 61 -6.393 -1.562 7.255 456 HB3 ALA 61 3HB ALA 61 -5.782 -0.965 8.817 457 H GLU 62 H GLU 62 -8.848 -1.318 10.275 458 HA GLU 62 HA GLU 62 -10.953 -2.511 8.917 459 HB2 GLU 62 1HB GLU 62 -10.363 -3.455 11.009 460 HB3 GLU 62 2HB GLU 62 -10.379 -1.906 11.828 461 HG2 GLU 62 1HG GLU 62 -12.816 -1.775 11.695 462 HG3 GLU 62 2HG GLU 62 -12.888 -3.175 10.643 463 H LYS 63 H LYS 63 -10.887 0.423 11.069 464 HA LYS 63 HA LYS 63 -13.457 1.173 10.997 465 HB2 LYS 63 1HB LYS 63 -10.879 2.693 11.014 466 HB3 LYS 63 2HB LYS 63 -12.367 3.596 10.812 467 HG2 LYS 63 1HG LYS 63 -12.839 3.395 13.019 468 HG3 LYS 63 2HG LYS 63 -12.784 1.647 12.907 469 HD2 LYS 63 1HD LYS 63 -11.040 1.970 14.403 470 HD3 LYS 63 2HD LYS 63 -10.135 2.053 12.905 471 HE2 LYS 63 1HE LYS 63 -10.149 4.488 12.929 472 HE3 LYS 63 2HE LYS 63 -11.312 4.531 14.239 473 HZ1 LYS 63 1HZ LYS 63 -9.010 4.873 14.943 474 HZ2 LYS 63 2HZ LYS 63 -9.703 3.596 15.690 475 HZ3 LYS 63 3HZ LYS 63 -8.633 3.352 14.481 476 H SER 64 H SER 64 -11.056 2.345 8.525 477 HA SER 64 HA SER 64 -13.019 3.366 6.870 478 HB2 SER 64 1HB SER 64 -11.202 3.380 5.133 479 HB3 SER 64 2HB SER 64 -10.710 4.083 6.661 480 HG SER 64 HG SER 64 -9.822 1.728 5.387 481 H GLY 65 H GLY 65 -11.375 0.158 6.997 482 HA2 GLY 65 1HA GLY 65 -12.083 -1.852 6.235 483 HA3 GLY 65 2HA GLY 65 -13.586 -1.121 5.710 484 H LEU 66 H LEU 66 -10.178 -0.283 4.803 485 HA LEU 66 HA LEU 66 -10.947 -0.836 2.023 486 HB2 LEU 66 1HB LEU 66 -8.794 1.049 2.975 487 HB3 LEU 66 2HB LEU 66 -9.414 0.863 1.346 488 HG LEU 66 HG LEU 66 -10.895 2.013 3.726 489 HD11 LEU 66 1HD1 LEU 66 -10.722 3.727 1.417 490 HD12 LEU 66 2HD1 LEU 66 -10.158 4.004 3.082 491 HD13 LEU 66 3HD1 LEU 66 -9.097 3.191 1.907 492 HD21 LEU 66 1HD2 LEU 66 -12.717 1.202 2.681 493 HD22 LEU 66 2HD2 LEU 66 -12.474 2.602 1.608 494 HD23 LEU 66 3HD2 LEU 66 -11.874 0.997 1.126 495 H LEU 67 H LEU 67 -9.394 -2.186 4.616 496 HA LEU 67 HA LEU 67 -7.515 -3.553 2.828 497 HB2 LEU 67 1HB LEU 67 -6.947 -2.692 5.668 498 HB3 LEU 67 2HB LEU 67 -5.893 -3.656 4.653 499 HG LEU 67 HG LEU 67 -6.748 -0.945 3.693 500 HD11 LEU 67 1HD1 LEU 67 -4.865 -1.506 5.960 501 HD12 LEU 67 2HD1 LEU 67 -4.543 -0.153 4.849 502 HD13 LEU 67 3HD1 LEU 67 -6.066 -0.207 5.768 503 HD21 LEU 67 1HD2 LEU 67 -5.399 -1.564 2.039 504 HD22 LEU 67 2HD2 LEU 67 -4.043 -1.390 3.180 505 HD23 LEU 67 3HD2 LEU 67 -4.815 -2.977 2.950 506 H HIS 68 H HIS 68 -7.880 -5.704 2.749 507 HA HIS 68 HA HIS 68 -9.075 -6.926 5.114 508 HB2 HIS 68 1HB HIS 68 -10.132 -6.977 2.298 509 HB3 HIS 68 2HB HIS 68 -10.409 -8.341 3.364 510 HD1 HIS 68 1HD HIS 68 -12.666 -6.373 2.264 511 HD2 HIS 68 2HD HIS 68 -10.914 -6.237 6.073 512 HE1 HIS 68 1HE HIS 68 -14.340 -5.184 3.779 513 H GLU 69 H GLU 69 -8.695 -9.288 5.232 514 HA GLU 69 HA GLU 69 -6.078 -9.889 4.649 515 HB2 GLU 69 1HB GLU 69 -8.407 -11.777 5.212 516 HB3 GLU 69 2HB GLU 69 -6.717 -12.234 5.285 517 HG2 GLU 69 1HG GLU 69 -6.335 -10.476 7.042 518 HG3 GLU 69 2HG GLU 69 -8.038 -10.066 6.986 519 H GLY 70 H GLY 70 -5.139 -10.199 2.680 520 HA2 GLY 70 1HA GLY 70 -4.964 -11.769 0.845 521 HA3 GLY 70 2HA GLY 70 -6.704 -11.675 0.649 522 H ASP 71 H ASP 71 -4.407 -8.962 1.308 523 HA ASP 71 HA ASP 71 -5.029 -7.987 -1.365 524 HB2 ASP 71 1HB ASP 71 -5.386 -6.683 1.299 525 HB3 ASP 71 2HB ASP 71 -4.636 -5.670 0.081 526 H GLU 72 H GLU 72 -3.098 -7.673 -2.484 527 HA GLU 72 HA GLU 72 -0.668 -7.680 -0.962 528 HB2 GLU 72 1HB GLU 72 -0.623 -9.081 -2.893 529 HB3 GLU 72 2HB GLU 72 -1.333 -7.849 -3.917 530 HG2 GLU 72 1HG GLU 72 0.687 -6.538 -3.932 531 HG3 GLU 72 2HG GLU 72 1.367 -7.420 -2.580 532 H VAL 73 H VAL 73 0.732 -5.939 -0.673 533 HA VAL 73 HA VAL 73 -0.316 -3.369 -1.592 534 HB VAL 73 HB VAL 73 1.818 -3.929 0.470 535 HG11 VAL 73 1HG1 VAL 73 1.607 -1.620 -0.588 536 HG12 VAL 73 2HG1 VAL 73 0.022 -1.505 0.213 537 HG13 VAL 73 3HG1 VAL 73 1.500 -1.690 1.188 538 HG21 VAL 73 1HG2 VAL 73 -0.393 -3.209 1.913 539 HG22 VAL 73 2HG2 VAL 73 -1.115 -4.212 0.633 540 HG23 VAL 73 3HG2 VAL 73 0.165 -4.882 1.672 541 H LEU 74 H LEU 74 0.873 -1.987 -2.907 542 HA LEU 74 HA LEU 74 3.444 -3.072 -3.827 543 HB2 LEU 74 1HB LEU 74 1.433 -1.580 -5.512 544 HB3 LEU 74 2HB LEU 74 2.942 -2.295 -6.044 545 HG LEU 74 HG LEU 74 0.530 -3.817 -5.016 546 HD11 LEU 74 1HD1 LEU 74 0.910 -4.631 -7.588 547 HD12 LEU 74 2HD1 LEU 74 -0.246 -3.379 -7.075 548 HD13 LEU 74 3HD1 LEU 74 1.355 -2.910 -7.696 549 HD21 LEU 74 1HD2 LEU 74 3.177 -4.822 -6.096 550 HD22 LEU 74 2HD2 LEU 74 2.557 -5.000 -4.437 551 HD23 LEU 74 3HD2 LEU 74 1.744 -5.832 -5.785 552 H GLU 75 H GLU 75 1.390 -0.087 -3.583 553 HA GLU 75 HA GLU 75 3.806 1.281 -2.737 554 HB2 GLU 75 1HB GLU 75 2.521 1.671 -5.267 555 HB3 GLU 75 2HB GLU 75 2.178 3.094 -4.303 556 HG2 GLU 75 1HG GLU 75 4.545 3.495 -3.895 557 HG3 GLU 75 2HG GLU 75 4.988 1.937 -4.563 558 H ILE 76 H ILE 76 3.421 3.096 -1.305 559 HA ILE 76 HA ILE 76 0.644 3.515 -0.533 560 HB ILE 76 HB ILE 76 2.829 2.557 1.310 561 HG12 ILE 76 1HG1 ILE 76 0.079 1.471 0.639 562 HG13 ILE 76 2HG1 ILE 76 1.616 0.789 0.147 563 HG21 ILE 76 1HG2 ILE 76 1.649 3.204 3.179 564 HG22 ILE 76 2HG2 ILE 76 1.375 4.586 2.091 565 HG23 ILE 76 3HG2 ILE 76 0.110 3.351 2.296 566 HD11 ILE 76 1HD1 ILE 76 1.225 1.265 3.088 567 HD12 ILE 76 2HD1 ILE 76 0.313 -0.070 2.342 568 HD13 ILE 76 3HD1 ILE 76 2.091 -0.049 2.256 569 H ASN 77 H ASN 77 0.447 5.645 -1.023 570 HA ASN 77 HA ASN 77 0.716 7.794 -0.829 571 HB2 ASN 77 1HB ASN 77 2.105 6.829 1.511 572 HB3 ASN 77 2HB ASN 77 3.085 8.110 0.826 573 HD21 ASN 77 1HD2 ASN 77 1.982 8.455 3.254 574 HD22 ASN 77 2HD2 ASN 77 0.704 9.624 3.222 575 H GLY 78 H GLY 78 2.668 5.691 -2.307 576 HA2 GLY 78 1HA GLY 78 3.819 6.535 -4.278 577 HA3 GLY 78 2HA GLY 78 4.573 7.745 -3.260 578 H ILE 79 H ILE 79 4.894 5.794 -0.956 579 HA ILE 79 HA ILE 79 7.436 4.799 -1.772 580 HB ILE 79 HB ILE 79 5.852 4.556 0.785 581 HG12 ILE 79 1HG1 ILE 79 8.115 6.080 1.249 582 HG13 ILE 79 2HG1 ILE 79 7.632 6.593 -0.356 583 HG21 ILE 79 1HG2 ILE 79 7.412 3.242 1.708 584 HG22 ILE 79 2HG2 ILE 79 7.842 2.834 0.029 585 HG23 ILE 79 3HG2 ILE 79 8.752 4.091 0.901 586 HD11 ILE 79 1HD1 ILE 79 6.364 7.154 2.216 587 HD12 ILE 79 2HD1 ILE 79 6.072 7.908 0.630 588 HD13 ILE 79 3HD1 ILE 79 5.204 6.421 1.082 589 H GLU 80 H GLU 80 8.078 2.694 -2.214 590 HA GLU 80 HA GLU 80 6.003 0.999 -3.106 591 HB2 GLU 80 1HB GLU 80 8.693 1.341 -3.710 592 HB3 GLU 80 2HB GLU 80 8.707 -0.185 -2.849 593 HG2 GLU 80 1HG GLU 80 6.561 -0.650 -4.442 594 HG3 GLU 80 2HG GLU 80 7.385 0.515 -5.459 595 H ILE 81 H ILE 81 6.004 -1.435 -2.468 596 HA ILE 81 HA ILE 81 6.635 -1.753 0.369 597 HB ILE 81 HB ILE 81 3.964 -2.329 -0.917 598 HG12 ILE 81 1HG1 ILE 81 4.636 0.075 -0.190 599 HG13 ILE 81 2HG1 ILE 81 3.072 -0.566 0.273 600 HG21 ILE 81 1HG2 ILE 81 5.210 -3.266 1.629 601 HG22 ILE 81 2HG2 ILE 81 3.482 -2.841 1.639 602 HG23 ILE 81 3HG2 ILE 81 4.084 -4.093 0.525 603 HD11 ILE 81 1HD1 ILE 81 5.512 -0.815 2.078 604 HD12 ILE 81 2HD1 ILE 81 4.418 0.588 2.134 605 HD13 ILE 81 3HD1 ILE 81 3.801 -1.037 2.515 606 H ARG 82 H ARG 82 5.606 -3.259 -2.752 607 HA ARG 82 HA ARG 82 5.924 -5.827 -2.238 608 HB2 ARG 82 1HB ARG 82 5.351 -5.120 -4.473 609 HB3 ARG 82 2HB ARG 82 6.840 -4.214 -4.656 610 HG2 ARG 82 1HG ARG 82 7.935 -6.039 -5.444 611 HG3 ARG 82 2HG ARG 82 7.478 -6.985 -4.042 612 HD2 ARG 82 1HD ARG 82 6.374 -8.200 -5.694 613 HD3 ARG 82 2HD ARG 82 5.098 -7.077 -5.269 614 HE ARG 82 HE ARG 82 6.817 -5.977 -7.337 615 HH11 ARG 82 2HH2 ARG 82 4.154 -8.211 -6.786 616 HH12 ARG 82 1HH2 ARG 82 3.535 -8.072 -8.398 617 HH21 ARG 82 2HH1 ARG 82 6.001 -5.793 -9.464 618 HH22 ARG 82 1HH1 ARG 82 4.593 -6.687 -9.931 619 H GLY 83 H GLY 83 7.514 -7.026 -1.245 620 HA2 GLY 83 1HA GLY 83 9.691 -7.913 -1.250 621 HA3 GLY 83 2HA GLY 83 10.318 -6.397 -1.866 622 H LYS 84 H LYS 84 8.951 -4.566 -0.093 623 HA LYS 84 HA LYS 84 10.718 -4.400 1.977 624 HB2 LYS 84 1HB LYS 84 7.872 -3.373 1.785 625 HB3 LYS 84 2HB LYS 84 9.015 -2.881 3.018 626 HG2 LYS 84 1HG LYS 84 10.607 -2.361 0.959 627 HG3 LYS 84 2HG LYS 84 9.120 -2.367 0.033 628 HD2 LYS 84 1HD LYS 84 8.161 -0.597 1.429 629 HD3 LYS 84 2HD LYS 84 9.506 -0.684 2.550 630 HE2 LYS 84 1HE LYS 84 9.690 0.162 -0.382 631 HE3 LYS 84 2HE LYS 84 9.754 1.243 0.996 632 HZ1 LYS 84 1HZ LYS 84 11.749 -0.627 0.056 633 HZ2 LYS 84 2HZ LYS 84 11.937 0.878 0.663 634 HZ3 LYS 84 3HZ LYS 84 11.666 -0.380 1.668 635 H ASP 85 H ASP 85 10.637 -4.891 4.246 636 HA ASP 85 HA ASP 85 9.459 -7.429 4.694 637 HB2 ASP 85 1HB ASP 85 11.679 -6.800 5.620 638 HB3 ASP 85 2HB ASP 85 10.944 -5.510 6.550 639 H VAL 86 H VAL 86 8.027 -7.847 6.668 640 HA VAL 86 HA VAL 86 5.774 -6.264 6.666 641 HB VAL 86 HB VAL 86 5.209 -7.505 8.750 642 HG11 VAL 86 1HG1 VAL 86 6.354 -9.202 6.506 643 HG12 VAL 86 2HG1 VAL 86 5.128 -9.710 7.692 644 HG13 VAL 86 3HG1 VAL 86 4.749 -8.432 6.513 645 HG21 VAL 86 1HG2 VAL 86 6.742 -9.242 9.565 646 HG22 VAL 86 2HG2 VAL 86 7.985 -8.693 8.415 647 HG23 VAL 86 3HG2 VAL 86 7.457 -7.621 9.733 648 H ASN 87 H ASN 87 8.608 -6.263 8.913 649 HA ASN 87 HA ASN 87 7.603 -4.404 10.663 650 HB2 ASN 87 1HB ASN 87 10.547 -4.444 9.908 651 HB3 ASN 87 2HB ASN 87 9.836 -4.246 11.498 652 HD21 ASN 87 1HD2 ASN 87 11.758 -6.192 10.083 653 HD22 ASN 87 2HD2 ASN 87 11.234 -7.765 10.585 654 H GLU 88 H GLU 88 9.650 -4.056 7.680 655 HA GLU 88 HA GLU 88 10.135 -1.397 7.782 656 HB2 GLU 88 1HB GLU 88 10.142 -3.497 5.762 657 HB3 GLU 88 2HB GLU 88 9.615 -1.986 5.049 658 HG2 GLU 88 1HG GLU 88 11.904 -1.606 6.870 659 HG3 GLU 88 2HG GLU 88 12.272 -2.736 5.581 660 H VAL 89 H VAL 89 7.266 -3.055 6.296 661 HA VAL 89 HA VAL 89 6.001 -0.739 5.424 662 HB VAL 89 HB VAL 89 5.045 -3.489 6.197 663 HG11 VAL 89 1HG1 VAL 89 3.041 -2.394 4.621 664 HG12 VAL 89 2HG1 VAL 89 2.964 -2.674 6.377 665 HG13 VAL 89 3HG1 VAL 89 3.445 -1.079 5.750 666 HG21 VAL 89 1HG2 VAL 89 5.442 -4.055 4.061 667 HG22 VAL 89 2HG2 VAL 89 4.716 -2.556 3.434 668 HG23 VAL 89 3HG2 VAL 89 6.410 -2.564 3.979 669 H PHE 90 H PHE 90 5.518 -2.652 8.478 670 HA PHE 90 HA PHE 90 3.629 -1.022 9.609 671 HB2 PHE 90 1HB PHE 90 6.015 -2.493 10.883 672 HB3 PHE 90 2HB PHE 90 4.568 -2.022 11.753 673 HD1 PHE 90 1HD PHE 90 2.672 -2.769 9.384 674 HD2 PHE 90 2HD PHE 90 5.789 -4.831 11.394 675 HE1 PHE 90 1HE PHE 90 1.602 -4.962 8.793 676 HE2 PHE 90 2HE PHE 90 4.720 -7.024 10.803 677 HZ PHE 90 HZ PHE 90 2.639 -7.063 9.510 678 H ASP 91 H ASP 91 7.229 -0.738 9.680 679 HA ASP 91 HA ASP 91 7.253 1.368 11.497 680 HB2 ASP 91 1HB ASP 91 9.149 -0.225 10.372 681 HB3 ASP 91 2HB ASP 91 9.367 1.193 9.365 682 H LEU 92 H LEU 92 6.791 1.080 7.976 683 HA LEU 92 HA LEU 92 7.358 3.756 7.310 684 HB2 LEU 92 1HB LEU 92 6.229 1.365 6.026 685 HB3 LEU 92 2HB LEU 92 5.608 2.879 5.400 686 HG LEU 92 HG LEU 92 8.546 2.792 5.696 687 HD11 LEU 92 1HD1 LEU 92 7.227 1.070 3.581 688 HD12 LEU 92 2HD1 LEU 92 8.969 1.363 3.802 689 HD13 LEU 92 3HD1 LEU 92 8.057 0.452 5.030 690 HD21 LEU 92 1HD2 LEU 92 6.610 3.670 3.543 691 HD22 LEU 92 2HD2 LEU 92 7.563 4.689 4.648 692 HD23 LEU 92 3HD2 LEU 92 8.380 3.750 3.376 693 H LEU 93 H LEU 93 4.129 2.085 7.424 694 HA LEU 93 HA LEU 93 2.575 4.300 7.303 695 HB2 LEU 93 1HB LEU 93 2.212 1.673 8.723 696 HB3 LEU 93 2HB LEU 93 0.958 2.897 8.727 697 HG LEU 93 HG LEU 93 0.777 1.048 6.992 698 HD11 LEU 93 1HD1 LEU 93 -0.482 2.390 5.662 699 HD12 LEU 93 2HD1 LEU 93 -0.206 3.529 7.002 700 HD13 LEU 93 3HD1 LEU 93 0.780 3.638 5.525 701 HD21 LEU 93 1HD2 LEU 93 3.074 0.910 6.273 702 HD22 LEU 93 2HD2 LEU 93 2.056 1.391 4.894 703 HD23 LEU 93 3HD2 LEU 93 3.050 2.606 5.733 704 H SER 94 H SER 94 3.649 2.704 10.392 705 HA SER 94 HA SER 94 2.650 4.369 12.170 706 HB2 SER 94 1HB SER 94 3.939 2.634 13.064 707 HB3 SER 94 2HB SER 94 5.304 2.957 12.014 708 HG SER 94 HG SER 94 5.534 3.579 14.351 709 H ASP 95 H ASP 95 5.677 4.961 10.265 710 HA ASP 95 HA ASP 95 6.278 7.377 11.475 711 HB2 ASP 95 1HB ASP 95 7.788 5.972 9.993 712 HB3 ASP 95 2HB ASP 95 6.862 6.508 8.605 713 H MET 96 H MET 96 4.405 6.467 8.508 714 HA MET 96 HA MET 96 3.881 9.167 7.831 715 HB2 MET 96 1HB MET 96 2.437 6.621 6.915 716 HB3 MET 96 2HB MET 96 2.481 8.149 6.059 717 HG2 MET 96 1HG MET 96 5.154 7.732 6.239 718 HG3 MET 96 2HG MET 96 4.634 6.062 6.333 719 HE1 MET 96 1HE MET 96 3.194 4.863 3.809 720 HE2 MET 96 2HE MET 96 2.298 5.708 5.095 721 HE3 MET 96 3HE MET 96 2.031 6.144 3.390 722 H HIS 97 H HIS 97 1.517 9.939 7.509 723 HA HIS 97 HA HIS 97 -0.459 8.784 9.167 724 HB2 HIS 97 1HB HIS 97 -0.472 11.173 10.472 725 HB3 HIS 97 2HB HIS 97 0.177 9.677 11.115 726 HD1 HIS 97 1HD HIS 97 1.602 12.389 8.783 727 HD2 HIS 97 2HD HIS 97 2.627 10.160 12.186 728 HE1 HIS 97 1HE HIS 97 3.952 13.132 9.444 729 H GLY 98 H GLY 98 -2.538 9.853 8.885 730 HA2 GLY 98 1HA GLY 98 -3.875 11.557 7.986 731 HA3 GLY 98 2HA GLY 98 -2.559 12.056 6.942 732 H THR 99 H THR 99 -4.447 11.940 5.319 733 HA THR 99 HA THR 99 -5.465 9.409 4.577 734 HB THR 99 HB THR 99 -5.231 11.833 2.753 735 HG1 THR 99 1HG THR 99 -6.065 12.872 4.534 736 HG21 THR 99 1HG2 THR 99 -6.583 9.562 2.307 737 HG22 THR 99 2HG2 THR 99 -7.746 10.292 3.441 738 HG23 THR 99 3HG2 THR 99 -7.327 11.135 1.930 739 H LEU 100 H LEU 100 -4.030 7.794 4.167 740 HA LEU 100 HA LEU 100 -1.859 8.413 2.313 741 HB2 LEU 100 1HB LEU 100 -2.184 5.796 3.723 742 HB3 LEU 100 2HB LEU 100 -0.726 6.588 3.159 743 HG LEU 100 HG LEU 100 -1.712 8.346 5.079 744 HD11 LEU 100 1HD1 LEU 100 -2.173 5.490 5.968 745 HD12 LEU 100 2HD1 LEU 100 -2.005 6.867 7.084 746 HD13 LEU 100 3HD1 LEU 100 -3.348 6.826 5.916 747 HD21 LEU 100 1HD2 LEU 100 0.479 8.219 5.424 748 HD22 LEU 100 2HD2 LEU 100 0.174 6.753 6.385 749 HD23 LEU 100 3HD2 LEU 100 0.576 6.616 4.657 750 H THR 101 H THR 101 -1.709 7.497 0.277 751 HA THR 101 HA THR 101 -4.163 6.252 -0.674 752 HB THR 101 HB THR 101 -1.665 7.169 -2.189 753 HG1 THR 101 1HG THR 101 -4.209 8.437 -1.446 754 HG21 THR 101 1HG2 THR 101 -3.129 5.890 -3.653 755 HG22 THR 101 2HG2 THR 101 -4.581 6.642 -2.949 756 HG23 THR 101 3HG2 THR 101 -3.481 7.607 -3.963 757 H PHE 102 H PHE 102 -4.278 4.136 -0.084 758 HA PHE 102 HA PHE 102 -1.902 2.513 -0.299 759 HB2 PHE 102 1HB PHE 102 -4.847 2.083 0.465 760 HB3 PHE 102 2HB PHE 102 -3.690 0.767 0.471 761 HD1 PHE 102 2HD PHE 102 -4.457 4.044 2.016 762 HD2 PHE 102 1HD PHE 102 -2.245 0.434 2.304 763 HE1 PHE 102 2HE PHE 102 -3.791 4.640 4.361 764 HE2 PHE 102 1HE PHE 102 -1.579 1.030 4.649 765 HZ PHE 102 HZ PHE 102 -2.360 3.126 5.650 766 H VAL 103 H VAL 103 -1.300 1.550 -2.176 767 HA VAL 103 HA VAL 103 -3.421 1.043 -4.141 768 HB VAL 103 HB VAL 103 -0.454 1.165 -4.655 769 HG11 VAL 103 1HG1 VAL 103 -0.965 1.078 -6.867 770 HG12 VAL 103 2HG1 VAL 103 -2.431 0.270 -6.261 771 HG13 VAL 103 3HG1 VAL 103 -2.474 2.002 -6.670 772 HG21 VAL 103 1HG2 VAL 103 -2.287 3.365 -4.015 773 HG22 VAL 103 2HG2 VAL 103 -0.510 3.340 -4.099 774 HG23 VAL 103 3HG2 VAL 103 -1.468 3.564 -5.582 775 H LEU 104 H LEU 104 -4.173 -0.977 -3.468 776 HA LEU 104 HA LEU 104 -2.195 -3.114 -3.748 777 HB2 LEU 104 1HB LEU 104 -3.682 -4.221 -1.867 778 HB3 LEU 104 2HB LEU 104 -2.258 -3.264 -1.510 779 HG LEU 104 HG LEU 104 -4.150 -1.316 -1.478 780 HD11 LEU 104 1HD1 LEU 104 -5.606 -3.559 -0.115 781 HD12 LEU 104 2HD1 LEU 104 -6.209 -1.981 -0.676 782 HD13 LEU 104 3HD1 LEU 104 -5.843 -3.264 -1.855 783 HD21 LEU 104 1HD2 LEU 104 -3.673 -3.004 0.972 784 HD22 LEU 104 2HD2 LEU 104 -2.373 -2.040 0.233 785 HD23 LEU 104 3HD2 LEU 104 -3.843 -1.237 0.835 786 H ILE 105 H ILE 105 -3.216 -5.232 -4.294 787 HA ILE 105 HA ILE 105 -5.662 -4.736 -5.836 788 HB ILE 105 HB ILE 105 -3.592 -6.893 -6.247 789 HG12 ILE 105 1HG1 ILE 105 -3.694 -4.776 -8.258 790 HG13 ILE 105 2HG1 ILE 105 -3.230 -4.163 -6.683 791 HG21 ILE 105 1HG2 ILE 105 -5.983 -7.228 -7.068 792 HG22 ILE 105 2HG2 ILE 105 -5.663 -5.898 -8.206 793 HG23 ILE 105 3HG2 ILE 105 -4.682 -7.382 -8.273 794 HD11 ILE 105 1HD1 ILE 105 -1.197 -5.178 -6.773 795 HD12 ILE 105 2HD1 ILE 105 -1.909 -6.724 -7.294 796 HD13 ILE 105 3HD1 ILE 105 -1.544 -5.462 -8.495 797 HA PRO 106 HA PRO 106 -7.606 -7.428 -3.046 798 HB2 PRO 106 1HB PRO 106 -10.037 -7.606 -4.283 799 HB3 PRO 106 2HB PRO 106 -9.595 -6.281 -3.225 800 HG2 PRO 106 1HG PRO 106 -9.785 -6.313 -6.174 801 HG3 PRO 106 2HG PRO 106 -9.767 -4.936 -5.090 802 HD2 PRO 106 1HD PRO 106 -7.592 -5.876 -6.707 803 HD3 PRO 106 2HD PRO 106 -7.542 -4.572 -5.537 804 H SER 107 H SER 107 -7.069 -9.485 -2.731 805 HA SER 107 HA SER 107 -6.972 -11.087 -5.119 806 HB2 SER 107 1HB SER 107 -5.388 -10.944 -2.838 807 HB3 SER 107 2HB SER 107 -6.336 -12.387 -2.534 808 HG SER 107 HG SER 107 -4.511 -11.843 -4.683 809 H SER 108 H SER 108 -9.608 -10.274 -4.306 810 HA SER 108 HA SER 108 -11.556 -11.327 -4.389 811 HB2 SER 108 1HB SER 108 -10.124 -13.508 -4.836 812 HB3 SER 108 2HB SER 108 -10.471 -13.870 -3.157 813 HG SER 108 HG SER 108 -12.210 -13.809 -5.395 814 H GLY 109 H GLY 109 -9.336 -11.178 -1.721 815 HA2 GLY 109 1HA GLY 109 -9.595 -11.055 0.522 816 HA3 GLY 109 2HA GLY 109 -10.956 -10.033 0.106 817 HA PRO 110 HA PRO 110 -12.620 -13.628 2.337 818 HB2 PRO 110 1HB PRO 110 -13.888 -12.275 4.343 819 HB3 PRO 110 2HB PRO 110 -12.273 -12.935 4.505 820 HG2 PRO 110 1HG PRO 110 -13.096 -10.120 4.137 821 HG3 PRO 110 2HG PRO 110 -11.567 -10.750 4.716 822 HD2 PRO 110 1HD PRO 110 -12.109 -9.692 2.105 823 HD3 PRO 110 2HD PRO 110 -10.614 -10.427 2.648 824 H SER 111 H SER 111 -14.159 -14.522 1.122 825 HA SER 111 HA SER 111 -16.365 -12.724 0.523 826 HB2 SER 111 1HB SER 111 -16.850 -14.158 -1.379 827 HB3 SER 111 2HB SER 111 -15.143 -13.762 -1.406 828 HG SER 111 HG SER 111 -15.506 -16.031 -1.801 829 H SER 112 H SER 112 -18.600 -13.620 0.643 830 HA SER 112 HA SER 112 -18.732 -15.579 2.785 831 HB2 SER 112 1HB SER 112 -20.456 -13.274 1.919 832 HB3 SER 112 2HB SER 112 -21.260 -14.635 2.675 833 HG SER 112 HG SER 112 -20.707 -13.338 4.387 834 H GLY 113 H GLY 113 -20.029 -17.474 2.575 835 HA2 GLY 113 1HA GLY 113 -21.545 -17.866 0.120 836 HA3 GLY 113 2HA GLY 113 -20.131 -18.880 0.324 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 21.636 -2.210 -9.812 2 HA2 GLY 1 1HA GLY 1 19.681 -3.453 -8.706 3 HA3 GLY 1 2HA GLY 1 20.904 -2.748 -7.669 4 H SER 2 H SER 2 18.690 -3.026 -6.312 5 HA SER 2 HA SER 2 16.585 -1.384 -6.641 6 HB2 SER 2 1HB SER 2 17.245 -3.150 -4.762 7 HB3 SER 2 2HB SER 2 17.749 -1.727 -3.873 8 HG SER 2 HG SER 2 15.233 -2.695 -4.226 9 H SER 3 H SER 3 19.579 -0.645 -4.698 10 HA SER 3 HA SER 3 19.202 2.130 -5.429 11 HB2 SER 3 1HB SER 3 19.733 2.808 -3.043 12 HB3 SER 3 2HB SER 3 18.155 2.080 -3.264 13 HG SER 3 HG SER 3 19.795 1.328 -1.452 14 H GLY 4 H GLY 4 21.075 2.380 -6.631 15 HA2 GLY 4 1HA GLY 4 23.543 1.128 -5.685 16 HA3 GLY 4 2HA GLY 4 23.253 1.866 -7.248 17 H SER 5 H SER 5 25.436 2.891 -6.697 18 HA SER 5 HA SER 5 24.868 5.448 -5.486 19 HB2 SER 5 1HB SER 5 27.025 3.528 -4.550 20 HB3 SER 5 2HB SER 5 27.215 5.257 -4.338 21 HG SER 5 HG SER 5 26.242 4.239 -2.469 22 H SER 6 H SER 6 24.971 6.224 -7.696 23 HA SER 6 HA SER 6 27.378 7.196 -8.467 24 HB2 SER 6 1HB SER 6 27.362 4.456 -9.036 25 HB3 SER 6 2HB SER 6 26.927 5.177 -10.572 26 HG SER 6 HG SER 6 29.088 6.371 -9.156 27 H GLY 7 H GLY 7 24.582 5.478 -10.055 28 HA2 GLY 7 1HA GLY 7 22.721 6.847 -10.793 29 HA3 GLY 7 2HA GLY 7 23.874 8.053 -11.329 30 HA PRO 8 HA PRO 8 23.975 4.346 -14.320 31 HB2 PRO 8 1HB PRO 8 21.833 2.650 -14.303 32 HB3 PRO 8 2HB PRO 8 23.337 2.301 -13.475 33 HG2 PRO 8 1HG PRO 8 20.749 3.156 -12.332 34 HG3 PRO 8 2HG PRO 8 22.110 2.405 -11.525 35 HD2 PRO 8 1HD PRO 8 21.374 5.176 -11.429 36 HD3 PRO 8 2HD PRO 8 22.799 4.445 -10.718 37 H ILE 9 H ILE 9 22.103 3.375 -16.116 38 HA ILE 9 HA ILE 9 21.299 5.913 -17.225 39 HB ILE 9 HB ILE 9 21.110 3.090 -18.283 40 HG12 ILE 9 1HG1 ILE 9 23.040 5.215 -19.201 41 HG13 ILE 9 2HG1 ILE 9 23.419 4.196 -17.826 42 HG21 ILE 9 1HG2 ILE 9 20.067 3.832 -20.115 43 HG22 ILE 9 2HG2 ILE 9 19.636 5.249 -19.128 44 HG23 ILE 9 3HG2 ILE 9 21.056 5.309 -20.200 45 HD11 ILE 9 1HD1 ILE 9 24.345 3.079 -19.735 46 HD12 ILE 9 2HD1 ILE 9 22.866 2.175 -19.327 47 HD13 ILE 9 3HD1 ILE 9 22.861 3.322 -20.688 48 H THR 10 H THR 10 19.216 6.690 -17.427 49 HA THR 10 HA THR 10 17.321 5.945 -15.574 50 HB THR 10 HB THR 10 16.970 7.293 -18.305 51 HG1 THR 10 1HG THR 10 17.435 8.260 -15.572 52 HG21 THR 10 1HG2 THR 10 15.247 8.609 -16.811 53 HG22 THR 10 2HG2 THR 10 14.754 7.024 -17.454 54 HG23 THR 10 3HG2 THR 10 15.295 7.170 -15.764 55 H ASP 11 H ASP 11 15.226 4.919 -15.759 56 HA ASP 11 HA ASP 11 15.044 3.067 -17.972 57 HB2 ASP 11 1HB ASP 11 14.849 2.267 -15.029 58 HB3 ASP 11 2HB ASP 11 14.469 1.209 -16.374 59 H GLU 12 H GLU 12 13.066 3.858 -18.775 60 HA GLU 12 HA GLU 12 11.087 4.787 -16.946 61 HB2 GLU 12 1HB GLU 12 9.802 5.333 -18.987 62 HB3 GLU 12 2HB GLU 12 11.445 5.933 -19.098 63 HG2 GLU 12 1HG GLU 12 11.935 4.593 -20.878 64 HG3 GLU 12 2HG GLU 12 11.222 3.181 -20.124 65 H ARG 13 H ARG 13 11.178 2.459 -15.918 66 HA ARG 13 HA ARG 13 8.896 1.094 -17.007 67 HB2 ARG 13 1HB ARG 13 11.243 -0.631 -16.182 68 HB3 ARG 13 2HB ARG 13 9.911 -1.031 -17.248 69 HG2 ARG 13 1HG ARG 13 10.911 0.861 -18.803 70 HG3 ARG 13 2HG ARG 13 12.364 0.651 -17.846 71 HD2 ARG 13 1HD ARG 13 12.158 -1.885 -18.352 72 HD3 ARG 13 2HD ARG 13 10.944 -1.451 -19.538 73 HE ARG 13 HE ARG 13 13.316 0.159 -19.907 74 HH11 ARG 13 2HH2 ARG 13 12.053 -3.081 -20.448 75 HH12 ARG 13 1HH2 ARG 13 13.101 -3.404 -21.789 76 HH21 ARG 13 2HH1 ARG 13 14.699 -0.267 -21.676 77 HH22 ARG 13 1HH1 ARG 13 14.616 -1.793 -22.492 78 H VAL 14 H VAL 14 9.838 2.774 -14.585 79 HA VAL 14 HA VAL 14 8.904 0.873 -12.559 80 HB VAL 14 HB VAL 14 11.230 2.792 -12.385 81 HG11 VAL 14 1HG1 VAL 14 10.527 3.148 -10.268 82 HG12 VAL 14 2HG1 VAL 14 9.457 1.725 -10.271 83 HG13 VAL 14 3HG1 VAL 14 11.200 1.527 -9.969 84 HG21 VAL 14 1HG2 VAL 14 11.312 -0.101 -11.589 85 HG22 VAL 14 2HG2 VAL 14 11.371 0.328 -13.315 86 HG23 VAL 14 3HG2 VAL 14 12.610 0.951 -12.200 87 H TYR 15 H TYR 15 7.763 3.121 -14.365 88 HA TYR 15 HA TYR 15 7.240 5.458 -13.326 89 HB2 TYR 15 1HB TYR 15 5.183 3.290 -14.088 90 HB3 TYR 15 2HB TYR 15 4.815 5.003 -14.067 91 HD1 TYR 15 2HD TYR 15 6.775 2.373 -15.787 92 HD2 TYR 15 1HD TYR 15 5.470 6.446 -15.875 93 HE1 TYR 15 2HE TYR 15 7.548 2.576 -18.200 94 HE2 TYR 15 1HE TYR 15 6.248 6.636 -18.288 95 HH TYR 15 HH TYR 15 7.346 5.678 -19.903 96 H GLU 16 H GLU 16 6.139 6.484 -11.640 97 HA GLU 16 HA GLU 16 5.986 5.052 -9.262 98 HB2 GLU 16 1HB GLU 16 4.599 7.704 -9.798 99 HB3 GLU 16 2HB GLU 16 5.240 7.119 -8.276 100 HG2 GLU 16 1HG GLU 16 7.129 8.282 -8.783 101 HG3 GLU 16 2HG GLU 16 7.479 7.007 -9.933 102 H SER 17 H SER 17 3.337 6.591 -8.532 103 HA SER 17 HA SER 17 1.706 4.339 -8.767 104 HB2 SER 17 1HB SER 17 -0.097 6.106 -8.007 105 HB3 SER 17 2HB SER 17 1.193 5.654 -6.910 106 HG SER 17 HG SER 17 0.881 7.984 -7.058 107 H ILE 18 H ILE 18 0.887 3.644 -10.715 108 HA ILE 18 HA ILE 18 0.253 5.628 -12.734 109 HB ILE 18 HB ILE 18 0.373 2.614 -12.758 110 HG12 ILE 18 1HG1 ILE 18 2.141 3.840 -14.616 111 HG13 ILE 18 2HG1 ILE 18 2.341 4.684 -13.094 112 HG21 ILE 18 1HG2 ILE 18 -1.146 4.278 -14.457 113 HG22 ILE 18 2HG2 ILE 18 0.292 3.785 -15.383 114 HG23 ILE 18 3HG2 ILE 18 -0.767 2.550 -14.658 115 HD11 ILE 18 1HD1 ILE 18 2.920 1.829 -13.776 116 HD12 ILE 18 2HD1 ILE 18 3.772 2.929 -12.666 117 HD13 ILE 18 3HD1 ILE 18 2.265 2.135 -12.150 118 H GLY 19 H GLY 19 -1.629 2.699 -12.764 119 HA2 GLY 19 1HA GLY 19 -3.845 3.656 -11.239 120 HA3 GLY 19 2HA GLY 19 -4.075 3.938 -12.953 121 H HIS 20 H HIS 20 -2.621 1.646 -13.982 122 HA HIS 20 HA HIS 20 -4.523 -0.420 -13.184 123 HB2 HIS 20 1HB HIS 20 -2.881 -0.132 -15.715 124 HB3 HIS 20 2HB HIS 20 -3.996 -1.440 -15.375 125 HD1 HIS 20 1HD HIS 20 -4.145 0.869 -17.697 126 HD2 HIS 20 2HD HIS 20 -6.490 0.542 -14.234 127 HE1 HIS 20 1HE HIS 20 -6.302 2.148 -18.171 128 H TYR 21 H TYR 21 -1.232 0.581 -12.921 129 HA TYR 21 HA TYR 21 0.672 -0.496 -12.425 130 HB2 TYR 21 1HB TYR 21 -1.612 -1.410 -10.655 131 HB3 TYR 21 2HB TYR 21 -0.114 -2.301 -10.473 132 HD1 TYR 21 2HD TYR 21 -1.457 1.193 -10.459 133 HD2 TYR 21 1HD TYR 21 1.569 -1.488 -9.060 134 HE1 TYR 21 2HE TYR 21 -0.562 3.000 -8.911 135 HE2 TYR 21 1HE TYR 21 2.455 0.328 -7.517 136 HH TYR 21 HH TYR 21 2.363 2.447 -6.998 137 H GLY 22 H GLY 22 0.408 -1.544 -14.734 138 HA2 GLY 22 1HA GLY 22 1.160 -3.388 -15.853 139 HA3 GLY 22 2HA GLY 22 1.020 -4.352 -14.397 140 H GLY 23 H GLY 23 0.162 -5.589 -16.640 141 HA2 GLY 23 1HA GLY 23 -2.293 -5.225 -17.708 142 HA3 GLY 23 2HA GLY 23 -1.613 -6.797 -17.342 143 H GLU 24 H GLU 24 -1.527 -6.096 -14.350 144 HA GLU 24 HA GLU 24 -4.112 -7.105 -13.806 145 HB2 GLU 24 1HB GLU 24 -1.577 -6.936 -12.470 146 HB3 GLU 24 2HB GLU 24 -2.767 -6.203 -11.413 147 HG2 GLU 24 1HG GLU 24 -3.331 -8.314 -10.784 148 HG3 GLU 24 2HG GLU 24 -4.106 -8.472 -12.348 149 H THR 25 H THR 25 -5.028 -5.926 -11.502 150 HA THR 25 HA THR 25 -5.196 -3.056 -12.046 151 HB THR 25 HB THR 25 -7.812 -3.651 -11.480 152 HG1 THR 25 1HG THR 25 -7.010 -5.982 -11.564 153 HG21 THR 25 1HG2 THR 25 -7.005 -4.213 -14.323 154 HG22 THR 25 2HG2 THR 25 -8.267 -3.121 -13.703 155 HG23 THR 25 3HG2 THR 25 -6.560 -2.618 -13.668 156 H VAL 26 H VAL 26 -4.582 -2.036 -10.255 157 HA VAL 26 HA VAL 26 -4.936 -3.431 -7.723 158 HB VAL 26 HB VAL 26 -3.406 -1.738 -6.858 159 HG11 VAL 26 1HG1 VAL 26 -1.565 -2.284 -8.838 160 HG12 VAL 26 2HG1 VAL 26 -1.977 -3.357 -7.479 161 HG13 VAL 26 3HG1 VAL 26 -2.768 -3.578 -9.058 162 HG21 VAL 26 1HG2 VAL 26 -2.315 -0.453 -9.049 163 HG22 VAL 26 2HG2 VAL 26 -4.062 -0.401 -9.387 164 HG23 VAL 26 3HG2 VAL 26 -3.430 0.270 -7.864 165 H LYS 27 H LYS 27 -5.850 -2.279 -5.851 166 HA LYS 27 HA LYS 27 -7.848 -0.311 -6.731 167 HB2 LYS 27 1HB LYS 27 -8.499 -2.724 -5.873 168 HB3 LYS 27 2HB LYS 27 -8.225 -2.019 -4.293 169 HG2 LYS 27 1HG LYS 27 -9.721 -0.025 -5.386 170 HG3 LYS 27 2HG LYS 27 -10.338 -1.369 -6.327 171 HD2 LYS 27 1HD LYS 27 -11.144 -2.517 -4.404 172 HD3 LYS 27 2HD LYS 27 -10.104 -1.624 -3.313 173 HE2 LYS 27 1HE LYS 27 -11.617 0.072 -3.082 174 HE3 LYS 27 2HE LYS 27 -11.905 0.167 -4.808 175 HZ1 LYS 27 1HZ LYS 27 -13.393 -1.667 -4.645 176 HZ2 LYS 27 2HZ LYS 27 -13.047 -1.907 -3.068 177 HZ3 LYS 27 3HZ LYS 27 -13.838 -0.557 -3.534 178 H ILE 28 H ILE 28 -7.151 1.691 -6.191 179 HA ILE 28 HA ILE 28 -5.415 2.016 -3.919 180 HB ILE 28 HB ILE 28 -6.444 3.755 -6.125 181 HG12 ILE 28 1HG1 ILE 28 -3.627 3.257 -5.130 182 HG13 ILE 28 2HG1 ILE 28 -4.411 2.269 -6.346 183 HG21 ILE 28 1HG2 ILE 28 -4.870 5.499 -4.803 184 HG22 ILE 28 2HG2 ILE 28 -6.641 5.445 -4.642 185 HG23 ILE 28 3HG2 ILE 28 -5.613 4.651 -3.426 186 HD11 ILE 28 1HD1 ILE 28 -2.951 4.538 -6.893 187 HD12 ILE 28 2HD1 ILE 28 -4.197 3.866 -7.972 188 HD13 ILE 28 3HD1 ILE 28 -4.606 5.191 -6.857 189 H VAL 29 H VAL 29 -6.009 2.561 -1.880 190 HA VAL 29 HA VAL 29 -8.708 3.654 -1.540 191 HB VAL 29 HB VAL 29 -8.272 2.124 0.711 192 HG11 VAL 29 1HG1 VAL 29 -9.839 1.483 -1.809 193 HG12 VAL 29 2HG1 VAL 29 -10.037 0.641 -0.253 194 HG13 VAL 29 3HG1 VAL 29 -10.412 2.377 -0.380 195 HG21 VAL 29 1HG2 VAL 29 -6.377 0.967 -0.273 196 HG22 VAL 29 2HG2 VAL 29 -7.757 -0.151 -0.144 197 HG23 VAL 29 3HG2 VAL 29 -7.333 0.563 -1.719 198 H ARG 30 H ARG 30 -8.602 5.592 -0.540 199 HA ARG 30 HA ARG 30 -6.141 6.212 0.815 200 HB2 ARG 30 1HB ARG 30 -8.548 7.929 0.030 201 HB3 ARG 30 2HB ARG 30 -7.146 8.564 0.867 202 HG2 ARG 30 1HG ARG 30 -5.728 7.589 -1.072 203 HG3 ARG 30 2HG ARG 30 -7.240 7.340 -1.922 204 HD2 ARG 30 1HD ARG 30 -7.760 9.747 -1.816 205 HD3 ARG 30 2HD ARG 30 -6.359 10.046 -0.807 206 HE ARG 30 HE ARG 30 -5.527 8.745 -3.237 207 HH11 ARG 30 2HH2 ARG 30 -6.679 11.849 -2.045 208 HH12 ARG 30 1HH2 ARG 30 -5.892 12.762 -3.288 209 HH21 ARG 30 2HH1 ARG 30 -4.489 9.950 -4.878 210 HH22 ARG 30 1HH1 ARG 30 -4.638 11.675 -4.911 211 H ILE 31 H ILE 31 -6.019 5.837 3.006 212 HA ILE 31 HA ILE 31 -8.521 6.075 4.527 213 HB ILE 31 HB ILE 31 -6.100 4.356 5.079 214 HG12 ILE 31 1HG1 ILE 31 -8.872 3.402 4.357 215 HG13 ILE 31 2HG1 ILE 31 -7.665 3.732 3.131 216 HG21 ILE 31 1HG2 ILE 31 -7.200 5.192 7.124 217 HG22 ILE 31 2HG2 ILE 31 -8.741 4.504 6.558 218 HG23 ILE 31 3HG2 ILE 31 -7.368 3.431 6.923 219 HD11 ILE 31 1HD1 ILE 31 -6.190 2.219 4.902 220 HD12 ILE 31 2HD1 ILE 31 -7.810 1.504 5.091 221 HD13 ILE 31 3HD1 ILE 31 -7.043 1.560 3.485 222 H GLU 32 H GLU 32 -8.424 7.114 6.609 223 HA GLU 32 HA GLU 32 -6.286 9.065 6.657 224 HB2 GLU 32 1HB GLU 32 -8.954 8.953 8.129 225 HB3 GLU 32 2HB GLU 32 -7.786 10.246 8.312 226 HG2 GLU 32 1HG GLU 32 -7.979 10.188 5.581 227 HG3 GLU 32 2HG GLU 32 -9.584 9.622 6.000 228 H LYS 33 H LYS 33 -4.590 8.834 8.048 229 HA LYS 33 HA LYS 33 -5.070 7.208 10.447 230 HB2 LYS 33 1HB LYS 33 -3.671 6.163 8.535 231 HB3 LYS 33 2HB LYS 33 -2.423 7.300 9.003 232 HG2 LYS 33 1HG LYS 33 -2.870 6.401 11.451 233 HG3 LYS 33 2HG LYS 33 -3.631 5.048 10.638 234 HD2 LYS 33 1HD LYS 33 -1.275 5.276 9.201 235 HD3 LYS 33 2HD LYS 33 -0.750 5.787 10.793 236 HE2 LYS 33 1HE LYS 33 -2.311 3.560 11.393 237 HE3 LYS 33 2HE LYS 33 -1.598 3.098 9.861 238 HZ1 LYS 33 1HZ LYS 33 0.405 4.254 11.342 239 HZ2 LYS 33 2HZ LYS 33 -0.376 3.250 12.366 240 HZ3 LYS 33 3HZ LYS 33 0.239 2.674 10.966 241 H ALA 34 H ALA 34 -4.916 8.395 12.265 242 HA ALA 34 HA ALA 34 -4.037 11.053 12.223 243 HB1 ALA 34 1HB ALA 34 -5.626 9.701 13.837 244 HB2 ALA 34 2HB ALA 34 -4.122 9.387 14.734 245 HB3 ALA 34 3HB ALA 34 -4.666 11.060 14.468 246 H ARG 35 H ARG 35 -2.264 11.839 13.861 247 HA ARG 35 HA ARG 35 0.133 10.638 12.950 248 HB2 ARG 35 1HB ARG 35 -0.183 12.834 15.053 249 HB3 ARG 35 2HB ARG 35 1.244 12.504 14.092 250 HG2 ARG 35 1HG ARG 35 -0.353 12.916 12.025 251 HG3 ARG 35 2HG ARG 35 -1.397 13.698 13.196 252 HD2 ARG 35 1HD ARG 35 0.620 15.122 13.900 253 HD3 ARG 35 2HD ARG 35 1.489 14.446 12.537 254 HE ARG 35 HE ARG 35 -0.942 15.386 11.480 255 HH11 ARG 35 2HH2 ARG 35 1.816 16.766 13.173 256 HH12 ARG 35 1HH2 ARG 35 1.650 18.326 12.438 257 HH21 ARG 35 2HH1 ARG 35 -1.162 17.443 10.509 258 HH22 ARG 35 1HH1 ARG 35 -0.056 18.713 10.912 259 H ASP 36 H ASP 36 -1.975 9.571 15.192 260 HA ASP 36 HA ASP 36 0.121 8.315 16.695 261 HB2 ASP 36 1HB ASP 36 -1.209 8.793 18.865 262 HB3 ASP 36 2HB ASP 36 -0.231 10.097 18.222 263 H ILE 37 H ILE 37 -2.064 7.711 14.650 264 HA ILE 37 HA ILE 37 -3.743 5.937 16.278 265 HB ILE 37 HB ILE 37 -4.214 7.587 13.882 266 HG12 ILE 37 1HG1 ILE 37 -5.191 7.666 16.344 267 HG13 ILE 37 2HG1 ILE 37 -6.143 8.145 14.954 268 HG21 ILE 37 1HG2 ILE 37 -4.440 5.600 12.680 269 HG22 ILE 37 2HG2 ILE 37 -5.154 4.730 14.059 270 HG23 ILE 37 3HG2 ILE 37 -6.099 5.974 13.205 271 HD11 ILE 37 1HD1 ILE 37 -7.326 6.057 14.898 272 HD12 ILE 37 2HD1 ILE 37 -6.159 5.285 15.998 273 HD13 ILE 37 3HD1 ILE 37 -7.272 6.531 16.613 274 HA PRO 38 HA PRO 38 -1.344 2.762 14.517 275 HB2 PRO 38 1HB PRO 38 -2.539 0.658 15.788 276 HB3 PRO 38 2HB PRO 38 -1.258 1.613 16.510 277 HG2 PRO 38 1HG PRO 38 -4.156 1.655 17.094 278 HG3 PRO 38 2HG PRO 38 -2.831 2.265 18.066 279 HD2 PRO 38 1HD PRO 38 -4.644 3.813 16.471 280 HD3 PRO 38 2HD PRO 38 -3.249 4.409 17.349 281 H LEU 39 H LEU 39 -1.348 1.373 12.777 282 HA LEU 39 HA LEU 39 -3.451 1.692 11.024 283 HB2 LEU 39 1HB LEU 39 -1.117 0.997 10.511 284 HB3 LEU 39 2HB LEU 39 -1.484 -0.597 11.140 285 HG LEU 39 HG LEU 39 -3.082 -1.011 9.387 286 HD11 LEU 39 1HD1 LEU 39 -4.110 1.159 9.178 287 HD12 LEU 39 2HD1 LEU 39 -2.605 1.856 8.532 288 HD13 LEU 39 3HD1 LEU 39 -3.502 0.644 7.587 289 HD21 LEU 39 1HD2 LEU 39 -0.575 0.205 8.195 290 HD22 LEU 39 2HD2 LEU 39 -0.703 -1.424 8.901 291 HD23 LEU 39 3HD2 LEU 39 -1.632 -1.012 7.441 292 H GLY 40 H GLY 40 -2.698 -1.148 13.162 293 HA2 GLY 40 1HA GLY 40 -4.122 -2.566 14.202 294 HA3 GLY 40 2HA GLY 40 -5.480 -1.599 13.663 295 H ALA 41 H ALA 41 -2.927 -3.045 11.567 296 HA ALA 41 HA ALA 41 -4.797 -5.089 10.689 297 HB1 ALA 41 1HB ALA 41 -5.068 -2.873 9.344 298 HB2 ALA 41 2HB ALA 41 -3.490 -3.293 8.634 299 HB3 ALA 41 3HB ALA 41 -4.875 -4.395 8.442 300 H THR 42 H THR 42 -3.694 -6.977 10.570 301 HA THR 42 HA THR 42 -0.795 -6.861 10.635 302 HB THR 42 HB THR 42 -2.606 -9.318 10.682 303 HG1 THR 42 1HG THR 42 -3.394 -7.838 12.278 304 HG21 THR 42 1HG2 THR 42 -0.855 -10.315 11.951 305 HG22 THR 42 2HG2 THR 42 0.036 -9.391 10.719 306 HG23 THR 42 3HG2 THR 42 -0.140 -8.739 12.366 307 H VAL 43 H VAL 43 0.574 -8.097 9.197 308 HA VAL 43 HA VAL 43 -0.680 -8.739 6.640 309 HB VAL 43 HB VAL 43 0.952 -7.487 5.408 310 HG11 VAL 43 1HG1 VAL 43 -0.949 -6.173 5.801 311 HG12 VAL 43 2HG1 VAL 43 -0.559 -5.953 7.524 312 HG13 VAL 43 3HG1 VAL 43 0.401 -5.117 6.280 313 HG21 VAL 43 1HG2 VAL 43 2.610 -7.730 7.532 314 HG22 VAL 43 2HG2 VAL 43 2.845 -6.544 6.227 315 HG23 VAL 43 3HG2 VAL 43 2.072 -6.048 7.751 316 H ARG 44 H ARG 44 0.691 -10.165 5.297 317 HA ARG 44 HA ARG 44 2.379 -11.742 7.052 318 HB2 ARG 44 1HB ARG 44 1.029 -12.449 4.397 319 HB3 ARG 44 2HB ARG 44 2.046 -13.551 5.304 320 HG2 ARG 44 1HG ARG 44 0.414 -13.027 7.313 321 HG3 ARG 44 2HG ARG 44 -0.669 -12.431 6.071 322 HD2 ARG 44 1HD ARG 44 -1.170 -14.796 6.514 323 HD3 ARG 44 2HD ARG 44 -0.528 -14.639 4.891 324 HE ARG 44 HE ARG 44 0.866 -15.831 7.225 325 HH11 ARG 44 2HH2 ARG 44 1.003 -14.847 3.849 326 HH12 ARG 44 1HH2 ARG 44 2.403 -15.803 3.494 327 HH21 ARG 44 2HH1 ARG 44 2.713 -17.093 6.757 328 HH22 ARG 44 1HH1 ARG 44 3.382 -17.089 5.159 329 H ASN 45 H ASN 45 4.172 -13.019 5.613 330 HA ASN 45 HA ASN 45 5.459 -10.934 4.037 331 HB2 ASN 45 1HB ASN 45 6.405 -12.393 6.269 332 HB3 ASN 45 2HB ASN 45 7.186 -13.169 4.906 333 HD21 ASN 45 1HD2 ASN 45 7.187 -10.849 3.204 334 HD22 ASN 45 2HD2 ASN 45 8.389 -9.749 3.791 335 H GLU 46 H GLU 46 4.829 -11.505 1.904 336 HA GLU 46 HA GLU 46 4.829 -14.286 1.191 337 HB2 GLU 46 1HB GLU 46 3.480 -11.925 0.295 338 HB3 GLU 46 2HB GLU 46 4.408 -12.520 -1.066 339 HG2 GLU 46 1HG GLU 46 2.343 -14.056 0.569 340 HG3 GLU 46 2HG GLU 46 2.234 -13.605 -1.121 341 H MET 47 H MET 47 5.909 -14.915 -0.984 342 HA MET 47 HA MET 47 8.435 -15.099 -0.952 343 HB2 MET 47 1HB MET 47 6.760 -14.183 -3.341 344 HB3 MET 47 2HB MET 47 8.440 -14.639 -3.543 345 HG2 MET 47 1HG MET 47 6.822 -16.596 -1.981 346 HG3 MET 47 2HG MET 47 6.308 -16.404 -3.645 347 HE1 MET 47 1HE MET 47 8.161 -16.322 -5.663 348 HE2 MET 47 2HE MET 47 8.985 -17.897 -5.759 349 HE3 MET 47 3HE MET 47 7.238 -17.825 -5.429 350 H ASP 48 H ASP 48 7.005 -12.080 -2.403 351 HA ASP 48 HA ASP 48 9.173 -10.601 -1.252 352 HB2 ASP 48 1HB ASP 48 8.637 -10.446 -4.252 353 HB3 ASP 48 2HB ASP 48 9.879 -9.581 -3.369 354 H SER 49 H SER 49 6.125 -10.925 -1.177 355 HA SER 49 HA SER 49 5.523 -8.137 -1.749 356 HB2 SER 49 1HB SER 49 3.935 -10.596 -2.530 357 HB3 SER 49 2HB SER 49 3.109 -9.076 -2.249 358 HG SER 49 HG SER 49 4.561 -8.095 -3.857 359 H VAL 50 H VAL 50 3.791 -7.235 -0.345 360 HA VAL 50 HA VAL 50 3.644 -8.727 2.176 361 HB VAL 50 HB VAL 50 3.480 -5.780 1.530 362 HG11 VAL 50 1HG1 VAL 50 1.896 -6.176 3.291 363 HG12 VAL 50 2HG1 VAL 50 3.042 -7.221 4.164 364 HG13 VAL 50 3HG1 VAL 50 3.360 -5.476 4.024 365 HG21 VAL 50 1HG2 VAL 50 5.426 -6.277 3.489 366 HG22 VAL 50 2HG2 VAL 50 5.633 -7.574 2.288 367 HG23 VAL 50 3HG2 VAL 50 5.698 -5.870 1.778 368 H ILE 51 H ILE 51 1.790 -9.899 2.279 369 HA ILE 51 HA ILE 51 -0.622 -8.638 1.183 370 HB ILE 51 HB ILE 51 0.235 -11.495 1.524 371 HG12 ILE 51 1HG1 ILE 51 -0.747 -11.442 -0.906 372 HG13 ILE 51 2HG1 ILE 51 -0.545 -9.707 -0.765 373 HG21 ILE 51 1HG2 ILE 51 -2.583 -10.442 1.233 374 HG22 ILE 51 2HG2 ILE 51 -2.107 -12.095 0.777 375 HG23 ILE 51 3HG2 ILE 51 -1.936 -11.553 2.464 376 HD11 ILE 51 1HD1 ILE 51 1.479 -10.648 -1.750 377 HD12 ILE 51 2HD1 ILE 51 1.868 -10.083 -0.108 378 HD13 ILE 51 3HD1 ILE 51 1.631 -11.819 -0.419 379 H ILE 52 H ILE 52 -2.613 -8.781 2.436 380 HA ILE 52 HA ILE 52 -2.162 -8.172 5.147 381 HB ILE 52 HB ILE 52 -4.705 -8.763 3.630 382 HG12 ILE 52 1HG1 ILE 52 -3.362 -6.888 2.723 383 HG13 ILE 52 2HG1 ILE 52 -4.918 -6.386 3.354 384 HG21 ILE 52 1HG2 ILE 52 -4.733 -8.960 6.201 385 HG22 ILE 52 2HG2 ILE 52 -4.527 -7.193 6.192 386 HG23 ILE 52 3HG2 ILE 52 -5.948 -7.927 5.412 387 HD11 ILE 52 1HD1 ILE 52 -3.943 -5.013 4.871 388 HD12 ILE 52 2HD1 ILE 52 -2.897 -6.323 5.467 389 HD13 ILE 52 3HD1 ILE 52 -2.391 -5.347 4.067 390 H SER 53 H SER 53 -2.526 -9.358 7.040 391 HA SER 53 HA SER 53 -2.835 -12.215 6.541 392 HB2 SER 53 1HB SER 53 -1.291 -12.669 8.220 393 HB3 SER 53 2HB SER 53 -0.653 -11.157 7.606 394 HG SER 53 HG SER 53 -1.287 -10.086 9.406 395 H ARG 54 H ARG 54 -3.670 -9.434 8.685 396 HA ARG 54 HA ARG 54 -6.191 -10.640 9.181 397 HB2 ARG 54 1HB ARG 54 -4.886 -11.745 10.958 398 HB3 ARG 54 2HB ARG 54 -4.210 -10.212 11.472 399 HG2 ARG 54 1HG ARG 54 -6.368 -9.417 12.253 400 HG3 ARG 54 2HG ARG 54 -7.212 -10.745 11.482 401 HD2 ARG 54 1HD ARG 54 -5.289 -11.990 13.159 402 HD3 ARG 54 2HD ARG 54 -5.917 -10.660 14.111 403 HE ARG 54 HE ARG 54 -7.373 -13.052 13.298 404 HH11 ARG 54 2HH2 ARG 54 -7.735 -9.666 14.185 405 HH12 ARG 54 1HH2 ARG 54 -9.376 -9.846 14.710 406 HH21 ARG 54 2HH1 ARG 54 -9.538 -13.290 13.990 407 HH22 ARG 54 1HH1 ARG 54 -10.408 -11.921 14.598 408 H ILE 55 H ILE 55 -7.605 -9.084 10.547 409 HA ILE 55 HA ILE 55 -6.599 -6.340 10.250 410 HB ILE 55 HB ILE 55 -9.347 -7.433 9.650 411 HG12 ILE 55 1HG1 ILE 55 -7.810 -7.839 7.845 412 HG13 ILE 55 2HG1 ILE 55 -8.897 -6.544 7.386 413 HG21 ILE 55 1HG2 ILE 55 -8.820 -4.600 9.069 414 HG22 ILE 55 2HG2 ILE 55 -10.258 -5.390 9.759 415 HG23 ILE 55 3HG2 ILE 55 -8.871 -4.997 10.803 416 HD11 ILE 55 1HD1 ILE 55 -6.976 -4.993 8.415 417 HD12 ILE 55 2HD1 ILE 55 -5.965 -6.415 8.065 418 HD13 ILE 55 3HD1 ILE 55 -6.859 -5.613 6.751 419 H VAL 56 H VAL 56 -6.450 -5.272 12.144 420 HA VAL 56 HA VAL 56 -7.677 -6.475 14.469 421 HB VAL 56 HB VAL 56 -5.984 -3.983 14.305 422 HG11 VAL 56 1HG1 VAL 56 -7.233 -4.546 16.433 423 HG12 VAL 56 2HG1 VAL 56 -6.228 -6.011 16.545 424 HG13 VAL 56 3HG1 VAL 56 -5.467 -4.402 16.597 425 HG21 VAL 56 1HG2 VAL 56 -4.383 -6.179 15.099 426 HG22 VAL 56 2HG2 VAL 56 -5.231 -6.677 13.616 427 HG23 VAL 56 3HG2 VAL 56 -4.243 -5.196 13.622 428 H LYS 57 H LYS 57 -9.193 -5.421 15.847 429 HA LYS 57 HA LYS 57 -10.978 -3.705 14.401 430 HB2 LYS 57 1HB LYS 57 -12.070 -5.329 15.670 431 HB3 LYS 57 2HB LYS 57 -11.017 -5.118 17.054 432 HG2 LYS 57 1HG LYS 57 -13.101 -4.069 17.640 433 HG3 LYS 57 2HG LYS 57 -11.975 -2.764 17.324 434 HD2 LYS 57 1HD LYS 57 -13.747 -2.011 16.035 435 HD3 LYS 57 2HD LYS 57 -12.942 -2.990 14.826 436 HE2 LYS 57 1HE LYS 57 -14.464 -4.835 15.150 437 HE3 LYS 57 2HE LYS 57 -15.087 -4.162 16.643 438 HZ1 LYS 57 1HZ LYS 57 -15.401 -2.315 14.562 439 HZ2 LYS 57 2HZ LYS 57 -16.050 -3.745 14.115 440 HZ3 LYS 57 3HZ LYS 57 -16.548 -3.016 15.489 441 H GLY 58 H GLY 58 -11.631 -1.563 15.045 442 HA2 GLY 58 1HA GLY 58 -11.352 0.493 15.944 443 HA3 GLY 58 2HA GLY 58 -10.245 -0.177 17.127 444 H GLY 59 H GLY 59 -9.221 -1.246 14.080 445 HA2 GLY 59 1HA GLY 59 -6.998 0.612 14.096 446 HA3 GLY 59 2HA GLY 59 -7.208 -0.805 13.087 447 H ALA 60 H ALA 60 -6.403 1.980 12.331 448 HA ALA 60 HA ALA 60 -8.491 3.366 11.142 449 HB1 ALA 60 1HB ALA 60 -5.509 3.168 10.700 450 HB2 ALA 60 2HB ALA 60 -6.514 4.167 9.623 451 HB3 ALA 60 3HB ALA 60 -6.461 4.515 11.368 452 H ALA 61 H ALA 61 -6.833 0.386 10.237 453 HA ALA 61 HA ALA 61 -7.579 0.488 7.490 454 HB1 ALA 61 1HB ALA 61 -5.746 -0.900 8.935 455 HB2 ALA 61 2HB ALA 61 -7.035 -2.122 8.821 456 HB3 ALA 61 3HB ALA 61 -6.336 -1.424 7.340 457 H GLU 62 H GLU 62 -8.750 -1.396 10.373 458 HA GLU 62 HA GLU 62 -10.860 -2.559 9.018 459 HB2 GLU 62 1HB GLU 62 -10.238 -3.560 11.069 460 HB3 GLU 62 2HB GLU 62 -10.248 -2.036 11.935 461 HG2 GLU 62 1HG GLU 62 -12.584 -2.004 12.152 462 HG3 GLU 62 2HG GLU 62 -12.842 -2.969 10.712 463 H LYS 63 H LYS 63 -10.800 0.332 11.224 464 HA LYS 63 HA LYS 63 -13.379 1.039 11.242 465 HB2 LYS 63 1HB LYS 63 -10.976 2.857 10.905 466 HB3 LYS 63 2HB LYS 63 -12.576 3.406 11.362 467 HG2 LYS 63 1HG LYS 63 -11.952 1.185 13.068 468 HG3 LYS 63 2HG LYS 63 -10.527 2.204 13.030 469 HD2 LYS 63 1HD LYS 63 -11.784 4.149 13.758 470 HD3 LYS 63 2HD LYS 63 -13.316 3.338 13.506 471 HE2 LYS 63 1HE LYS 63 -12.794 1.725 15.323 472 HE3 LYS 63 2HE LYS 63 -11.217 2.456 15.545 473 HZ1 LYS 63 1HZ LYS 63 -12.237 3.778 16.968 474 HZ2 LYS 63 2HZ LYS 63 -12.940 4.534 15.703 475 HZ3 LYS 63 3HZ LYS 63 -13.733 3.339 16.483 476 H SER 64 H SER 64 -11.077 2.233 8.688 477 HA SER 64 HA SER 64 -13.140 3.223 7.112 478 HB2 SER 64 1HB SER 64 -11.434 3.576 5.427 479 HB3 SER 64 2HB SER 64 -10.722 3.910 6.993 480 HG SER 64 HG SER 64 -9.202 2.569 6.239 481 H GLY 65 H GLY 65 -11.615 0.028 7.433 482 HA2 GLY 65 1HA GLY 65 -12.156 -1.978 6.575 483 HA3 GLY 65 2HA GLY 65 -13.700 -1.302 6.097 484 H LEU 66 H LEU 66 -10.468 -0.109 5.046 485 HA LEU 66 HA LEU 66 -11.298 -0.640 2.300 486 HB2 LEU 66 1HB LEU 66 -9.005 1.036 3.326 487 HB3 LEU 66 2HB LEU 66 -9.591 0.948 1.676 488 HG LEU 66 HG LEU 66 -10.907 2.228 4.069 489 HD11 LEU 66 1HD1 LEU 66 -9.264 3.209 2.049 490 HD12 LEU 66 2HD1 LEU 66 -10.905 3.689 1.555 491 HD13 LEU 66 3HD1 LEU 66 -10.285 4.158 3.155 492 HD21 LEU 66 1HD2 LEU 66 -12.734 1.069 3.157 493 HD22 LEU 66 2HD2 LEU 66 -12.836 2.706 2.465 494 HD23 LEU 66 3HD2 LEU 66 -12.202 1.363 1.484 495 H LEU 67 H LEU 67 -9.407 -1.968 4.835 496 HA LEU 67 HA LEU 67 -7.661 -3.314 2.906 497 HB2 LEU 67 1HB LEU 67 -7.446 -2.758 5.853 498 HB3 LEU 67 2HB LEU 67 -6.483 -4.006 5.088 499 HG LEU 67 HG LEU 67 -5.117 -2.084 5.210 500 HD11 LEU 67 1HD1 LEU 67 -5.985 -1.742 2.377 501 HD12 LEU 67 2HD1 LEU 67 -4.359 -1.968 3.065 502 HD13 LEU 67 3HD1 LEU 67 -5.460 -3.358 2.905 503 HD21 LEU 67 1HD2 LEU 67 -5.841 0.110 4.166 504 HD22 LEU 67 2HD2 LEU 67 -7.492 -0.554 4.137 505 HD23 LEU 67 3HD2 LEU 67 -6.645 -0.345 5.688 506 H HIS 68 H HIS 68 -7.852 -5.485 2.518 507 HA HIS 68 HA HIS 68 -9.623 -6.967 4.304 508 HB2 HIS 68 1HB HIS 68 -9.763 -7.127 1.283 509 HB3 HIS 68 2HB HIS 68 -10.765 -7.991 2.431 510 HD1 HIS 68 1HD HIS 68 -11.002 -5.240 0.239 511 HD2 HIS 68 2HD HIS 68 -12.142 -5.838 4.232 512 HE1 HIS 68 1HE HIS 68 -12.779 -3.481 0.746 513 H GLU 69 H GLU 69 -8.925 -9.042 4.775 514 HA GLU 69 HA GLU 69 -6.297 -9.636 4.439 515 HB2 GLU 69 1HB GLU 69 -8.649 -11.529 4.872 516 HB3 GLU 69 2HB GLU 69 -6.971 -11.989 5.082 517 HG2 GLU 69 1HG GLU 69 -6.667 -10.341 6.867 518 HG3 GLU 69 2HG GLU 69 -8.248 -9.648 6.566 519 H GLY 70 H GLY 70 -5.039 -10.707 2.908 520 HA2 GLY 70 1HA GLY 70 -4.697 -12.151 1.115 521 HA3 GLY 70 2HA GLY 70 -6.394 -12.057 0.690 522 H ASP 71 H ASP 71 -5.145 -8.953 1.511 523 HA ASP 71 HA ASP 71 -5.162 -8.279 -1.294 524 HB2 ASP 71 1HB ASP 71 -5.336 -6.733 1.305 525 HB3 ASP 71 2HB ASP 71 -4.880 -5.884 -0.158 526 H GLU 72 H GLU 72 -3.259 -7.634 -2.384 527 HA GLU 72 HA GLU 72 -0.843 -7.746 -0.783 528 HB2 GLU 72 1HB GLU 72 -0.884 -9.271 -2.684 529 HB3 GLU 72 2HB GLU 72 -1.326 -7.979 -3.782 530 HG2 GLU 72 1HG GLU 72 0.869 -6.823 -3.194 531 HG3 GLU 72 2HG GLU 72 1.310 -8.241 -2.263 532 H VAL 73 H VAL 73 0.615 -6.011 -0.648 533 HA VAL 73 HA VAL 73 -0.414 -3.501 -1.758 534 HB VAL 73 HB VAL 73 1.600 -3.895 0.457 535 HG11 VAL 73 1HG1 VAL 73 1.744 -1.670 0.494 536 HG12 VAL 73 2HG1 VAL 73 0.745 -1.616 -0.978 537 HG13 VAL 73 3HG1 VAL 73 -0.024 -1.514 0.624 538 HG21 VAL 73 1HG2 VAL 73 -0.564 -3.171 1.834 539 HG22 VAL 73 2HG2 VAL 73 -1.387 -4.018 0.503 540 HG23 VAL 73 3HG2 VAL 73 -0.188 -4.878 1.498 541 H LEU 74 H LEU 74 0.927 -2.139 -2.993 542 HA LEU 74 HA LEU 74 3.524 -3.308 -3.704 543 HB2 LEU 74 1HB LEU 74 2.122 -1.814 -5.812 544 HB3 LEU 74 2HB LEU 74 3.112 -3.257 -5.906 545 HG LEU 74 HG LEU 74 0.889 -3.795 -6.618 546 HD11 LEU 74 1HD1 LEU 74 1.214 -5.782 -5.691 547 HD12 LEU 74 2HD1 LEU 74 2.148 -5.054 -4.362 548 HD13 LEU 74 3HD1 LEU 74 0.380 -5.209 -4.227 549 HD21 LEU 74 1HD2 LEU 74 -0.051 -1.837 -5.098 550 HD22 LEU 74 2HD2 LEU 74 -1.071 -3.202 -5.614 551 HD23 LEU 74 3HD2 LEU 74 -0.366 -3.185 -3.979 552 H GLU 75 H GLU 75 1.417 -0.379 -3.549 553 HA GLU 75 HA GLU 75 3.786 1.087 -2.783 554 HB2 GLU 75 1HB GLU 75 2.627 1.307 -5.382 555 HB3 GLU 75 2HB GLU 75 2.175 2.766 -4.523 556 HG2 GLU 75 1HG GLU 75 4.566 3.151 -3.905 557 HG3 GLU 75 2HG GLU 75 5.024 1.683 -4.744 558 H ILE 76 H ILE 76 3.351 2.824 -1.339 559 HA ILE 76 HA ILE 76 0.531 3.314 -0.753 560 HB ILE 76 HB ILE 76 2.627 2.361 1.186 561 HG12 ILE 76 1HG1 ILE 76 -0.144 1.402 0.427 562 HG13 ILE 76 2HG1 ILE 76 1.381 0.588 0.141 563 HG21 ILE 76 1HG2 ILE 76 0.181 2.953 2.526 564 HG22 ILE 76 2HG2 ILE 76 1.806 3.620 2.813 565 HG23 ILE 76 3HG2 ILE 76 0.710 4.413 1.656 566 HD11 ILE 76 1HD1 ILE 76 1.130 1.241 2.971 567 HD12 ILE 76 2HD1 ILE 76 -0.292 0.328 2.413 568 HD13 ILE 76 3HD1 ILE 76 1.340 -0.350 2.201 569 H ASN 77 H ASN 77 0.303 5.437 -1.220 570 HA ASN 77 HA ASN 77 0.562 7.590 -1.062 571 HB2 ASN 77 1HB ASN 77 2.011 6.665 1.271 572 HB3 ASN 77 2HB ASN 77 2.932 7.975 0.559 573 HD21 ASN 77 1HD2 ASN 77 1.880 8.318 2.999 574 HD22 ASN 77 2HD2 ASN 77 0.556 9.435 2.986 575 H GLY 78 H GLY 78 2.314 5.588 -2.721 576 HA2 GLY 78 1HA GLY 78 3.527 6.254 -4.626 577 HA3 GLY 78 2HA GLY 78 4.180 7.619 -3.744 578 H ILE 79 H ILE 79 4.589 5.782 -1.282 579 HA ILE 79 HA ILE 79 7.261 5.077 -1.936 580 HB ILE 79 HB ILE 79 5.553 4.639 0.513 581 HG12 ILE 79 1HG1 ILE 79 7.689 6.406 1.012 582 HG13 ILE 79 2HG1 ILE 79 7.036 6.897 -0.538 583 HG21 ILE 79 1HG2 ILE 79 8.163 3.535 -0.196 584 HG22 ILE 79 2HG2 ILE 79 8.196 4.483 1.310 585 HG23 ILE 79 3HG2 ILE 79 7.062 3.122 1.140 586 HD11 ILE 79 1HD1 ILE 79 4.689 6.667 0.626 587 HD12 ILE 79 2HD1 ILE 79 5.626 6.730 2.139 588 HD13 ILE 79 3HD1 ILE 79 5.694 8.090 0.992 589 H GLU 80 H GLU 80 8.172 3.082 -2.375 590 HA GLU 80 HA GLU 80 6.377 1.149 -3.374 591 HB2 GLU 80 1HB GLU 80 8.415 1.347 -4.563 592 HB3 GLU 80 2HB GLU 80 9.385 1.351 -3.103 593 HG2 GLU 80 1HG GLU 80 8.842 -1.036 -2.699 594 HG3 GLU 80 2HG GLU 80 7.784 -1.055 -4.096 595 H ILE 81 H ILE 81 5.978 -1.002 -2.604 596 HA ILE 81 HA ILE 81 6.750 -1.383 0.206 597 HB ILE 81 HB ILE 81 4.178 -2.126 -1.191 598 HG12 ILE 81 1HG1 ILE 81 4.731 0.320 -0.381 599 HG13 ILE 81 2HG1 ILE 81 3.148 -0.387 -0.125 600 HG21 ILE 81 1HG2 ILE 81 5.297 -2.882 1.496 601 HG22 ILE 81 2HG2 ILE 81 3.541 -2.748 1.241 602 HG23 ILE 81 3HG2 ILE 81 4.495 -3.898 0.274 603 HD11 ILE 81 1HD1 ILE 81 3.658 -0.938 2.178 604 HD12 ILE 81 2HD1 ILE 81 5.380 -0.549 1.946 605 HD13 ILE 81 3HD1 ILE 81 4.163 0.749 1.918 606 H ARG 82 H ARG 82 6.081 -2.885 -2.997 607 HA ARG 82 HA ARG 82 6.453 -5.451 -2.503 608 HB2 ARG 82 1HB ARG 82 6.618 -3.773 -4.771 609 HB3 ARG 82 2HB ARG 82 8.137 -4.645 -4.788 610 HG2 ARG 82 1HG ARG 82 6.822 -6.180 -5.929 611 HG3 ARG 82 2HG ARG 82 6.564 -6.757 -4.295 612 HD2 ARG 82 1HD ARG 82 4.425 -5.642 -4.126 613 HD3 ARG 82 2HD ARG 82 4.729 -4.675 -5.556 614 HE ARG 82 HE ARG 82 3.725 -7.401 -5.499 615 HH11 ARG 82 2HH2 ARG 82 5.618 -5.139 -7.417 616 HH12 ARG 82 1HH2 ARG 82 5.287 -5.937 -8.918 617 HH21 ARG 82 2HH1 ARG 82 3.287 -8.454 -7.479 618 HH22 ARG 82 1HH1 ARG 82 3.952 -7.835 -8.954 619 H GLY 83 H GLY 83 8.029 -6.724 -1.566 620 HA2 GLY 83 1HA GLY 83 10.244 -7.464 -1.377 621 HA3 GLY 83 2HA GLY 83 10.828 -5.856 -1.758 622 H LYS 84 H LYS 84 9.221 -4.271 -0.003 623 HA LYS 84 HA LYS 84 10.711 -4.370 2.312 624 HB2 LYS 84 1HB LYS 84 7.958 -3.169 1.885 625 HB3 LYS 84 2HB LYS 84 9.045 -2.787 3.205 626 HG2 LYS 84 1HG LYS 84 10.775 -2.306 1.214 627 HG3 LYS 84 2HG LYS 84 9.311 -2.111 0.272 628 HD2 LYS 84 1HD LYS 84 8.479 -0.463 2.026 629 HD3 LYS 84 2HD LYS 84 10.039 -0.584 2.815 630 HE2 LYS 84 1HE LYS 84 9.833 0.140 -0.133 631 HE3 LYS 84 2HE LYS 84 9.660 1.365 1.108 632 HZ1 LYS 84 1HZ LYS 84 11.838 1.401 1.275 633 HZ2 LYS 84 2HZ LYS 84 11.883 -0.168 1.726 634 HZ3 LYS 84 3HZ LYS 84 11.998 0.232 0.147 635 H ASP 85 H ASP 85 10.612 -5.487 4.214 636 HA ASP 85 HA ASP 85 9.244 -7.834 4.329 637 HB2 ASP 85 1HB ASP 85 11.172 -6.728 5.823 638 HB3 ASP 85 2HB ASP 85 9.833 -6.303 6.870 639 H VAL 86 H VAL 86 7.935 -7.926 6.885 640 HA VAL 86 HA VAL 86 5.446 -6.629 6.197 641 HB VAL 86 HB VAL 86 6.355 -8.927 7.740 642 HG11 VAL 86 1HG1 VAL 86 4.073 -7.298 8.907 643 HG12 VAL 86 2HG1 VAL 86 4.642 -8.890 9.463 644 HG13 VAL 86 3HG1 VAL 86 5.690 -7.461 9.631 645 HG21 VAL 86 1HG2 VAL 86 3.728 -9.345 7.293 646 HG22 VAL 86 2HG2 VAL 86 4.038 -8.081 6.078 647 HG23 VAL 86 3HG2 VAL 86 4.982 -9.590 6.054 648 H ASN 87 H ASN 87 7.940 -6.593 8.805 649 HA ASN 87 HA ASN 87 6.563 -4.777 10.400 650 HB2 ASN 87 1HB ASN 87 9.003 -6.226 10.503 651 HB3 ASN 87 2HB ASN 87 9.496 -4.546 10.580 652 HD21 ASN 87 1HD2 ASN 87 7.015 -6.742 11.884 653 HD22 ASN 87 2HD2 ASN 87 7.015 -6.138 13.507 654 H GLU 88 H GLU 88 9.024 -4.502 7.771 655 HA GLU 88 HA GLU 88 9.685 -1.877 8.044 656 HB2 GLU 88 1HB GLU 88 9.835 -3.931 5.965 657 HB3 GLU 88 2HB GLU 88 9.579 -2.349 5.257 658 HG2 GLU 88 1HG GLU 88 11.698 -2.818 7.394 659 HG3 GLU 88 2HG GLU 88 12.034 -3.080 5.694 660 H VAL 89 H VAL 89 6.850 -3.362 6.385 661 HA VAL 89 HA VAL 89 5.899 -0.994 5.234 662 HB VAL 89 HB VAL 89 4.786 -3.684 5.918 663 HG11 VAL 89 1HG1 VAL 89 2.731 -2.593 4.492 664 HG12 VAL 89 2HG1 VAL 89 2.749 -2.772 6.263 665 HG13 VAL 89 3HG1 VAL 89 3.202 -1.219 5.521 666 HG21 VAL 89 1HG2 VAL 89 5.500 -4.069 3.840 667 HG22 VAL 89 2HG2 VAL 89 4.266 -2.932 3.247 668 HG23 VAL 89 3HG2 VAL 89 5.908 -2.351 3.614 669 H PHE 90 H PHE 90 5.219 -2.627 8.391 670 HA PHE 90 HA PHE 90 3.276 -0.817 9.229 671 HB2 PHE 90 1HB PHE 90 5.360 -2.589 10.627 672 HB3 PHE 90 2HB PHE 90 4.131 -1.733 11.536 673 HD1 PHE 90 2HD PHE 90 1.856 -2.101 9.540 674 HD2 PHE 90 1HD PHE 90 4.719 -4.809 11.114 675 HE1 PHE 90 2HE PHE 90 0.260 -4.003 9.172 676 HE2 PHE 90 1HE PHE 90 3.123 -6.711 10.746 677 HZ PHE 90 HZ PHE 90 0.912 -6.285 9.779 678 H ASP 91 H ASP 91 6.862 -0.788 9.460 679 HA ASP 91 HA ASP 91 7.002 1.304 11.280 680 HB2 ASP 91 1HB ASP 91 8.797 -0.386 10.031 681 HB3 ASP 91 2HB ASP 91 9.143 1.121 9.208 682 H LEU 92 H LEU 92 6.437 1.081 7.787 683 HA LEU 92 HA LEU 92 7.200 3.727 7.136 684 HB2 LEU 92 1HB LEU 92 5.857 1.443 5.820 685 HB3 LEU 92 2HB LEU 92 5.470 3.029 5.183 686 HG LEU 92 HG LEU 92 8.348 2.661 5.569 687 HD11 LEU 92 1HD1 LEU 92 8.352 1.160 3.395 688 HD12 LEU 92 2HD1 LEU 92 8.288 0.441 5.023 689 HD13 LEU 92 3HD1 LEU 92 6.799 0.597 4.060 690 HD21 LEU 92 1HD2 LEU 92 6.701 3.330 3.114 691 HD22 LEU 92 2HD2 LEU 92 7.304 4.506 4.307 692 HD23 LEU 92 3HD2 LEU 92 8.453 3.567 3.324 693 H LEU 93 H LEU 93 3.903 2.200 7.345 694 HA LEU 93 HA LEU 93 2.452 4.500 7.200 695 HB2 LEU 93 1HB LEU 93 1.969 1.902 8.641 696 HB3 LEU 93 2HB LEU 93 0.776 3.186 8.627 697 HG LEU 93 HG LEU 93 0.554 1.296 6.908 698 HD11 LEU 93 1HD1 LEU 93 -0.682 2.656 5.543 699 HD12 LEU 93 2HD1 LEU 93 -0.478 3.724 6.952 700 HD13 LEU 93 3HD1 LEU 93 0.549 3.942 5.514 701 HD21 LEU 93 1HD2 LEU 93 2.821 1.139 6.136 702 HD22 LEU 93 2HD2 LEU 93 1.798 1.677 4.783 703 HD23 LEU 93 3HD2 LEU 93 2.825 2.849 5.642 704 H SER 94 H SER 94 3.516 2.860 10.269 705 HA SER 94 HA SER 94 2.609 4.547 12.073 706 HB2 SER 94 1HB SER 94 4.559 2.573 12.022 707 HB3 SER 94 2HB SER 94 5.487 3.976 12.513 708 HG SER 94 HG SER 94 3.571 4.296 14.102 709 H ASP 95 H ASP 95 5.594 5.070 10.086 710 HA ASP 95 HA ASP 95 6.259 7.483 11.294 711 HB2 ASP 95 1HB ASP 95 7.035 5.935 8.880 712 HB3 ASP 95 2HB ASP 95 7.242 7.665 8.692 713 H MET 96 H MET 96 4.351 6.559 8.359 714 HA MET 96 HA MET 96 3.910 9.244 7.592 715 HB2 MET 96 1HB MET 96 2.408 6.680 6.820 716 HB3 MET 96 2HB MET 96 2.366 8.187 5.928 717 HG2 MET 96 1HG MET 96 5.070 7.805 6.004 718 HG3 MET 96 2HG MET 96 4.549 6.133 6.088 719 HE1 MET 96 1HE MET 96 3.041 4.978 3.567 720 HE2 MET 96 2HE MET 96 2.212 5.745 4.943 721 HE3 MET 96 3HE MET 96 1.828 6.249 3.280 722 H HIS 97 H HIS 97 1.570 10.098 7.284 723 HA HIS 97 HA HIS 97 -0.379 9.096 9.094 724 HB2 HIS 97 1HB HIS 97 -0.362 11.562 10.183 725 HB3 HIS 97 2HB HIS 97 0.407 10.163 10.906 726 HD1 HIS 97 1HD HIS 97 1.617 12.528 8.126 727 HD2 HIS 97 2HD HIS 97 2.803 11.035 11.862 728 HE1 HIS 97 1HE HIS 97 3.939 13.485 8.574 729 H GLY 98 H GLY 98 -2.414 10.472 8.983 730 HA2 GLY 98 1HA GLY 98 -3.787 11.969 7.905 731 HA3 GLY 98 2HA GLY 98 -2.508 12.364 6.775 732 H THR 99 H THR 99 -4.248 12.153 5.106 733 HA THR 99 HA THR 99 -5.423 9.601 4.646 734 HB THR 99 HB THR 99 -5.133 11.815 2.585 735 HG1 THR 99 1HG THR 99 -6.665 11.651 5.082 736 HG21 THR 99 1HG2 THR 99 -7.744 10.608 3.459 737 HG22 THR 99 2HG2 THR 99 -7.203 11.067 1.826 738 HG23 THR 99 3HG2 THR 99 -6.645 9.541 2.552 739 H LEU 100 H LEU 100 -3.995 7.928 4.423 740 HA LEU 100 HA LEU 100 -1.796 8.292 2.557 741 HB2 LEU 100 1HB LEU 100 -2.317 5.733 3.990 742 HB3 LEU 100 2HB LEU 100 -0.799 6.485 3.543 743 HG LEU 100 HG LEU 100 -1.954 8.250 5.398 744 HD11 LEU 100 1HD1 LEU 100 -2.738 5.450 5.939 745 HD12 LEU 100 2HD1 LEU 100 -2.014 6.331 7.306 746 HD13 LEU 100 3HD1 LEU 100 -3.458 6.981 6.492 747 HD21 LEU 100 1HD2 LEU 100 -0.084 6.765 6.810 748 HD22 LEU 100 2HD2 LEU 100 0.412 6.575 5.111 749 HD23 LEU 100 3HD2 LEU 100 0.233 8.202 5.809 750 H THR 101 H THR 101 -1.654 7.308 0.556 751 HA THR 101 HA THR 101 -4.152 6.143 -0.404 752 HB THR 101 HB THR 101 -1.629 7.251 -1.735 753 HG1 THR 101 1HG THR 101 -3.161 8.800 -0.896 754 HG21 THR 101 1HG2 THR 101 -3.186 7.145 -3.814 755 HG22 THR 101 2HG2 THR 101 -2.434 5.612 -3.314 756 HG23 THR 101 3HG2 THR 101 -4.132 5.946 -2.900 757 H PHE 102 H PHE 102 -4.319 4.038 0.207 758 HA PHE 102 HA PHE 102 -1.983 2.359 0.066 759 HB2 PHE 102 1HB PHE 102 -4.968 1.975 0.697 760 HB3 PHE 102 2HB PHE 102 -3.817 0.657 0.791 761 HD1 PHE 102 2HD PHE 102 -4.707 3.936 2.246 762 HD2 PHE 102 1HD PHE 102 -2.419 0.389 2.684 763 HE1 PHE 102 2HE PHE 102 -4.163 4.579 4.611 764 HE2 PHE 102 1HE PHE 102 -1.875 1.032 5.048 765 HZ PHE 102 HZ PHE 102 -2.753 3.119 5.984 766 H VAL 103 H VAL 103 -1.327 1.400 -1.795 767 HA VAL 103 HA VAL 103 -3.383 0.914 -3.831 768 HB VAL 103 HB VAL 103 -0.391 1.031 -4.205 769 HG11 VAL 103 1HG1 VAL 103 -1.760 1.879 -6.509 770 HG12 VAL 103 2HG1 VAL 103 -0.916 0.332 -6.260 771 HG13 VAL 103 3HG1 VAL 103 -2.659 0.460 -5.920 772 HG21 VAL 103 1HG2 VAL 103 -2.152 3.196 -3.551 773 HG22 VAL 103 2HG2 VAL 103 -0.418 3.244 -3.948 774 HG23 VAL 103 3HG2 VAL 103 -1.631 3.375 -5.244 775 H LEU 104 H LEU 104 -4.191 -1.113 -3.399 776 HA LEU 104 HA LEU 104 -2.251 -3.273 -3.576 777 HB2 LEU 104 1HB LEU 104 -3.758 -4.359 -1.689 778 HB3 LEU 104 2HB LEU 104 -2.299 -3.452 -1.343 779 HG LEU 104 HG LEU 104 -4.282 -1.499 -1.353 780 HD11 LEU 104 1HD1 LEU 104 -5.932 -3.421 -1.401 781 HD12 LEU 104 2HD1 LEU 104 -5.359 -3.835 0.233 782 HD13 LEU 104 3HD1 LEU 104 -6.118 -2.254 -0.070 783 HD21 LEU 104 1HD2 LEU 104 -3.834 -1.320 1.003 784 HD22 LEU 104 2HD2 LEU 104 -3.210 -2.987 1.058 785 HD23 LEU 104 3HD2 LEU 104 -2.322 -1.733 0.160 786 H ILE 105 H ILE 105 -3.375 -5.398 -4.033 787 HA ILE 105 HA ILE 105 -5.773 -4.830 -5.626 788 HB ILE 105 HB ILE 105 -3.726 -7.029 -5.935 789 HG12 ILE 105 1HG1 ILE 105 -3.936 -5.108 -8.113 790 HG13 ILE 105 2HG1 ILE 105 -3.489 -4.322 -6.612 791 HG21 ILE 105 1HG2 ILE 105 -6.325 -7.125 -6.723 792 HG22 ILE 105 2HG2 ILE 105 -5.564 -6.379 -8.149 793 HG23 ILE 105 3HG2 ILE 105 -4.984 -7.952 -7.551 794 HD11 ILE 105 1HD1 ILE 105 -1.430 -5.315 -6.557 795 HD12 ILE 105 2HD1 ILE 105 -2.074 -6.890 -7.077 796 HD13 ILE 105 3HD1 ILE 105 -1.724 -5.630 -8.284 797 HA PRO 106 HA PRO 106 -7.806 -7.299 -2.672 798 HB2 PRO 106 1HB PRO 106 -10.327 -7.097 -3.708 799 HB3 PRO 106 2HB PRO 106 -9.631 -5.896 -2.639 800 HG2 PRO 106 1HG PRO 106 -10.052 -5.754 -5.561 801 HG3 PRO 106 2HG PRO 106 -9.766 -4.447 -4.428 802 HD2 PRO 106 1HD PRO 106 -7.868 -5.579 -6.257 803 HD3 PRO 106 2HD PRO 106 -7.553 -4.353 -5.045 804 H SER 107 H SER 107 -7.497 -9.418 -2.496 805 HA SER 107 HA SER 107 -7.501 -10.934 -4.865 806 HB2 SER 107 1HB SER 107 -6.023 -11.769 -3.261 807 HB3 SER 107 2HB SER 107 -7.126 -11.478 -1.930 808 HG SER 107 HG SER 107 -8.399 -13.288 -2.605 809 H SER 108 H SER 108 -9.865 -10.030 -5.309 810 HA SER 108 HA SER 108 -11.861 -10.808 -5.842 811 HB2 SER 108 1HB SER 108 -10.887 -13.161 -5.136 812 HB3 SER 108 2HB SER 108 -11.837 -12.930 -3.682 813 HG SER 108 HG SER 108 -12.679 -13.430 -6.333 814 H GLY 109 H GLY 109 -10.675 -9.797 -2.815 815 HA2 GLY 109 1HA GLY 109 -11.567 -8.616 -1.126 816 HA3 GLY 109 2HA GLY 109 -12.928 -8.270 -2.175 817 HA PRO 110 HA PRO 110 -14.088 -11.280 1.186 818 HB2 PRO 110 1HB PRO 110 -15.059 -9.637 3.143 819 HB3 PRO 110 2HB PRO 110 -13.443 -10.314 3.175 820 HG2 PRO 110 1HG PRO 110 -14.282 -7.551 2.543 821 HG3 PRO 110 2HG PRO 110 -12.694 -8.140 2.992 822 HD2 PRO 110 1HD PRO 110 -13.577 -7.424 0.358 823 HD3 PRO 110 2HD PRO 110 -12.029 -8.122 0.791 824 H SER 111 H SER 111 -15.795 -12.291 0.350 825 HA SER 111 HA SER 111 -17.927 -12.616 -0.027 826 HB2 SER 111 1HB SER 111 -18.074 -10.417 1.728 827 HB3 SER 111 2HB SER 111 -19.052 -9.931 0.358 828 HG SER 111 HG SER 111 -19.437 -12.583 1.295 829 H SER 112 H SER 112 -19.077 -12.583 -2.000 830 HA SER 112 HA SER 112 -18.069 -10.613 -3.887 831 HB2 SER 112 1HB SER 112 -18.865 -13.479 -4.069 832 HB3 SER 112 2HB SER 112 -19.369 -12.490 -5.425 833 HG SER 112 HG SER 112 -17.369 -12.667 -6.144 834 H GLY 113 H GLY 113 -19.506 -8.865 -3.538 835 HA2 GLY 113 1HA GLY 113 -21.381 -7.686 -3.990 836 HA3 GLY 113 2HA GLY 113 -22.092 -9.108 -4.729 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -12.893 48.937 -17.570 2 HA2 GLY 1 1HA GLY 1 -15.098 47.239 -18.142 3 HA3 GLY 1 2HA GLY 1 -14.246 47.654 -19.616 4 H SER 2 H SER 2 -14.245 45.008 -18.894 5 HA SER 2 HA SER 2 -11.525 44.477 -18.742 6 HB2 SER 2 1HB SER 2 -13.003 44.481 -16.166 7 HB3 SER 2 2HB SER 2 -12.106 43.006 -16.467 8 HG SER 2 HG SER 2 -10.462 44.156 -15.688 9 H SER 3 H SER 3 -11.107 42.094 -18.924 10 HA SER 3 HA SER 3 -13.286 40.326 -18.963 11 HB2 SER 3 1HB SER 3 -13.659 41.646 -21.112 12 HB3 SER 3 2HB SER 3 -12.132 41.019 -21.699 13 HG SER 3 HG SER 3 -12.953 38.932 -21.754 14 H GLY 4 H GLY 4 -12.554 38.096 -19.343 15 HA2 GLY 4 1HA GLY 4 -9.640 37.801 -19.676 16 HA3 GLY 4 2HA GLY 4 -10.446 37.103 -18.285 17 H SER 5 H SER 5 -9.343 35.135 -19.473 18 HA SER 5 HA SER 5 -11.448 33.669 -20.600 19 HB2 SER 5 1HB SER 5 -10.707 35.034 -22.605 20 HB3 SER 5 2HB SER 5 -9.133 34.273 -22.491 21 HG SER 5 HG SER 5 -11.562 32.726 -22.708 22 H SER 6 H SER 6 -10.494 31.396 -21.385 23 HA SER 6 HA SER 6 -7.944 30.816 -20.241 24 HB2 SER 6 1HB SER 6 -10.503 30.100 -18.874 25 HB3 SER 6 2HB SER 6 -9.322 28.810 -18.984 26 HG SER 6 HG SER 6 -8.485 29.746 -17.242 27 H GLY 7 H GLY 7 -7.407 28.391 -20.612 28 HA2 GLY 7 1HA GLY 7 -9.064 27.106 -22.643 29 HA3 GLY 7 2HA GLY 7 -7.459 27.609 -23.135 30 HA PRO 8 HA PRO 8 -6.720 23.560 -21.411 31 HB2 PRO 8 1HB PRO 8 -4.737 22.840 -23.148 32 HB3 PRO 8 2HB PRO 8 -6.432 22.506 -23.437 33 HG2 PRO 8 1HG PRO 8 -4.707 24.556 -24.687 34 HG3 PRO 8 2HG PRO 8 -6.245 23.927 -25.244 35 HD2 PRO 8 1HD PRO 8 -5.785 26.456 -23.971 36 HD3 PRO 8 2HD PRO 8 -7.336 25.777 -24.423 37 H ILE 9 H ILE 9 -6.005 24.146 -19.397 38 HA ILE 9 HA ILE 9 -3.209 25.031 -19.391 39 HB ILE 9 HB ILE 9 -5.509 25.454 -17.505 40 HG12 ILE 9 1HG1 ILE 9 -3.568 27.398 -18.785 41 HG13 ILE 9 2HG1 ILE 9 -5.147 27.003 -19.434 42 HG21 ILE 9 1HG2 ILE 9 -2.581 25.955 -16.901 43 HG22 ILE 9 2HG2 ILE 9 -3.964 26.451 -15.897 44 HG23 ILE 9 3HG2 ILE 9 -3.615 24.723 -16.139 45 HD11 ILE 9 1HD1 ILE 9 -4.533 28.321 -16.756 46 HD12 ILE 9 2HD1 ILE 9 -5.413 29.020 -18.136 47 HD13 ILE 9 3HD1 ILE 9 -6.147 27.706 -17.186 48 H THR 10 H THR 10 -1.823 24.144 -17.615 49 HA THR 10 HA THR 10 -0.849 22.381 -16.668 50 HB THR 10 HB THR 10 -3.779 21.932 -15.929 51 HG1 THR 10 1HG THR 10 -3.069 23.504 -14.545 52 HG21 THR 10 1HG2 THR 10 -2.717 19.757 -15.581 53 HG22 THR 10 2HG2 THR 10 -1.248 20.527 -14.934 54 HG23 THR 10 3HG2 THR 10 -2.765 20.580 -14.004 55 H ASP 11 H ASP 11 -0.536 19.969 -16.689 56 HA ASP 11 HA ASP 11 -1.426 19.023 -19.296 57 HB2 ASP 11 1HB ASP 11 0.995 18.205 -17.621 58 HB3 ASP 11 2HB ASP 11 0.588 17.521 -19.182 59 H GLU 12 H GLU 12 -3.201 17.660 -18.921 60 HA GLU 12 HA GLU 12 -3.523 16.315 -16.481 61 HB2 GLU 12 1HB GLU 12 -5.499 15.300 -17.568 62 HB3 GLU 12 2HB GLU 12 -5.435 17.026 -17.867 63 HG2 GLU 12 1HG GLU 12 -3.971 16.007 -20.010 64 HG3 GLU 12 2HG GLU 12 -5.191 14.771 -19.779 65 H ARG 13 H ARG 13 -1.103 15.456 -16.836 66 HA ARG 13 HA ARG 13 -1.472 12.713 -17.617 67 HB2 ARG 13 1HB ARG 13 0.880 12.855 -18.774 68 HB3 ARG 13 2HB ARG 13 -0.518 13.417 -19.668 69 HG2 ARG 13 1HG ARG 13 0.607 15.375 -19.939 70 HG3 ARG 13 2HG ARG 13 0.236 15.703 -18.258 71 HD2 ARG 13 1HD ARG 13 2.439 15.592 -17.727 72 HD3 ARG 13 2HD ARG 13 2.514 13.938 -18.301 73 HE ARG 13 HE ARG 13 2.541 15.729 -20.553 74 HH11 ARG 13 2HH2 ARG 13 4.589 14.614 -17.918 75 HH12 ARG 13 1HH2 ARG 13 6.067 14.910 -18.771 76 HH21 ARG 13 2HH1 ARG 13 4.491 16.119 -21.680 77 HH22 ARG 13 1HH1 ARG 13 6.011 15.772 -20.925 78 H VAL 14 H VAL 14 -0.924 14.641 -15.195 79 HA VAL 14 HA VAL 14 1.513 13.302 -14.248 80 HB VAL 14 HB VAL 14 0.238 15.898 -13.363 81 HG11 VAL 14 1HG1 VAL 14 1.468 15.727 -11.512 82 HG12 VAL 14 2HG1 VAL 14 2.121 14.164 -12.060 83 HG13 VAL 14 3HG1 VAL 14 2.940 15.678 -12.512 84 HG21 VAL 14 1HG2 VAL 14 1.547 17.024 -14.805 85 HG22 VAL 14 2HG2 VAL 14 2.947 15.964 -14.512 86 HG23 VAL 14 3HG2 VAL 14 1.683 15.471 -15.664 87 H TYR 15 H TYR 15 -1.422 12.373 -14.377 88 HA TYR 15 HA TYR 15 -2.727 12.465 -12.014 89 HB2 TYR 15 1HB TYR 15 -2.103 10.269 -14.058 90 HB3 TYR 15 2HB TYR 15 -3.168 9.912 -12.714 91 HD1 TYR 15 1HD TYR 15 -2.756 12.057 -15.719 92 HD2 TYR 15 2HD TYR 15 -5.445 10.634 -12.711 93 HE1 TYR 15 1HE TYR 15 -4.723 13.011 -17.016 94 HE2 TYR 15 2HE TYR 15 -7.403 11.594 -14.018 95 HH TYR 15 HH TYR 15 -7.955 13.013 -15.646 96 H GLU 16 H GLU 16 -2.968 10.535 -10.391 97 HA GLU 16 HA GLU 16 -0.285 10.052 -9.395 98 HB2 GLU 16 1HB GLU 16 -2.706 10.896 -8.162 99 HB3 GLU 16 2HB GLU 16 -2.412 9.277 -7.560 100 HG2 GLU 16 1HG GLU 16 -0.244 11.422 -7.603 101 HG3 GLU 16 2HG GLU 16 -1.324 11.207 -6.240 102 H SER 17 H SER 17 -1.163 7.867 -7.595 103 HA SER 17 HA SER 17 -0.531 5.735 -9.152 104 HB2 SER 17 1HB SER 17 -2.355 5.425 -6.752 105 HB3 SER 17 2HB SER 17 -1.043 4.384 -7.266 106 HG SER 17 HG SER 17 0.484 5.910 -6.563 107 H ILE 18 H ILE 18 -1.626 5.051 -10.964 108 HA ILE 18 HA ILE 18 -4.529 5.252 -10.962 109 HB ILE 18 HB ILE 18 -2.439 4.836 -13.082 110 HG12 ILE 18 1HG1 ILE 18 -4.433 6.844 -13.617 111 HG13 ILE 18 2HG1 ILE 18 -3.780 7.095 -12.010 112 HG21 ILE 18 1HG2 ILE 18 -5.439 4.568 -13.420 113 HG22 ILE 18 2HG2 ILE 18 -4.241 4.629 -14.735 114 HG23 ILE 18 3HG2 ILE 18 -4.234 3.269 -13.587 115 HD11 ILE 18 1HD1 ILE 18 -1.448 6.921 -12.978 116 HD12 ILE 18 2HD1 ILE 18 -2.183 6.837 -14.597 117 HD13 ILE 18 3HD1 ILE 18 -2.384 8.300 -13.603 118 H GLY 19 H GLY 19 -5.858 3.396 -11.635 119 HA2 GLY 19 1HA GLY 19 -5.306 1.095 -10.152 120 HA3 GLY 19 2HA GLY 19 -6.530 1.266 -11.395 121 H HIS 20 H HIS 20 -5.427 1.452 -13.776 122 HA HIS 20 HA HIS 20 -4.315 -1.064 -14.226 123 HB2 HIS 20 1HB HIS 20 -4.585 1.405 -15.950 124 HB3 HIS 20 2HB HIS 20 -3.903 -0.092 -16.553 125 HD1 HIS 20 1HD HIS 20 -7.159 1.299 -15.149 126 HD2 HIS 20 2HD HIS 20 -5.752 -2.027 -17.282 127 HE1 HIS 20 1HE HIS 20 -9.226 0.015 -15.917 128 H TYR 21 H TYR 21 -2.376 -1.584 -13.274 129 HA TYR 21 HA TYR 21 -0.202 0.363 -13.545 130 HB2 TYR 21 1HB TYR 21 -1.111 -1.827 -11.693 131 HB3 TYR 21 2HB TYR 21 0.618 -1.822 -11.977 132 HD1 TYR 21 1HD TYR 21 -1.196 1.360 -12.076 133 HD2 TYR 21 2HD TYR 21 1.020 -1.330 -9.595 134 HE1 TYR 21 1HE TYR 21 -0.913 3.190 -10.333 135 HE2 TYR 21 2HE TYR 21 1.296 0.509 -7.860 136 HH TYR 21 HH TYR 21 0.521 3.772 -8.555 137 H GLY 22 H GLY 22 -0.038 -0.201 -15.905 138 HA2 GLY 22 1HA GLY 22 1.497 -1.113 -17.363 139 HA3 GLY 22 2HA GLY 22 1.858 -2.391 -16.220 140 H GLY 23 H GLY 23 -0.025 -3.999 -15.772 141 HA2 GLY 23 1HA GLY 23 -1.672 -4.365 -18.193 142 HA3 GLY 23 2HA GLY 23 -0.665 -5.666 -17.589 143 H GLU 24 H GLU 24 -0.931 -5.401 -14.792 144 HA GLU 24 HA GLU 24 -3.476 -6.564 -14.475 145 HB2 GLU 24 1HB GLU 24 -1.023 -6.536 -13.071 146 HB3 GLU 24 2HB GLU 24 -2.170 -5.804 -11.966 147 HG2 GLU 24 1HG GLU 24 -3.236 -7.784 -11.595 148 HG3 GLU 24 2HG GLU 24 -3.335 -8.146 -13.307 149 H THR 25 H THR 25 -4.364 -5.644 -11.948 150 HA THR 25 HA THR 25 -4.807 -2.774 -12.310 151 HB THR 25 HB THR 25 -7.330 -3.561 -11.688 152 HG1 THR 25 1HG THR 25 -6.727 -5.827 -11.733 153 HG21 THR 25 1HG2 THR 25 -6.231 -2.475 -13.936 154 HG22 THR 25 2HG2 THR 25 -6.616 -4.097 -14.559 155 HG23 THR 25 3HG2 THR 25 -7.908 -3.072 -13.891 156 H VAL 26 H VAL 26 -4.441 -1.711 -10.473 157 HA VAL 26 HA VAL 26 -4.544 -3.300 -8.009 158 HB VAL 26 HB VAL 26 -3.078 -1.445 -7.136 159 HG11 VAL 26 1HG1 VAL 26 -2.300 -3.440 -9.228 160 HG12 VAL 26 2HG1 VAL 26 -1.076 -2.272 -8.676 161 HG13 VAL 26 3HG1 VAL 26 -1.862 -3.357 -7.505 162 HG21 VAL 26 1HG2 VAL 26 -2.450 0.309 -8.387 163 HG22 VAL 26 2HG2 VAL 26 -2.134 -0.707 -9.814 164 HG23 VAL 26 3HG2 VAL 26 -3.787 -0.144 -9.471 165 H LYS 27 H LYS 27 -5.492 -2.321 -6.093 166 HA LYS 27 HA LYS 27 -7.570 -0.393 -6.838 167 HB2 LYS 27 1HB LYS 27 -8.473 -2.489 -6.074 168 HB3 LYS 27 2HB LYS 27 -7.444 -2.490 -4.656 169 HG2 LYS 27 1HG LYS 27 -8.648 -0.085 -4.278 170 HG3 LYS 27 2HG LYS 27 -9.908 -0.862 -5.216 171 HD2 LYS 27 1HD LYS 27 -9.863 -2.809 -3.613 172 HD3 LYS 27 2HD LYS 27 -8.658 -1.970 -2.657 173 HE2 LYS 27 1HE LYS 27 -10.256 -0.741 -1.613 174 HE3 LYS 27 2HE LYS 27 -10.878 -0.164 -3.146 175 HZ1 LYS 27 1HZ LYS 27 -11.868 -2.558 -3.199 176 HZ2 LYS 27 2HZ LYS 27 -11.735 -2.438 -1.576 177 HZ3 LYS 27 3HZ LYS 27 -12.629 -1.351 -2.405 178 H ILE 28 H ILE 28 -7.386 1.663 -6.134 179 HA ILE 28 HA ILE 28 -5.339 2.186 -4.126 180 HB ILE 28 HB ILE 28 -6.815 4.009 -6.028 181 HG12 ILE 28 1HG1 ILE 28 -4.242 4.153 -6.788 182 HG13 ILE 28 2HG1 ILE 28 -4.240 2.515 -6.167 183 HG21 ILE 28 1HG2 ILE 28 -4.563 5.341 -5.135 184 HG22 ILE 28 2HG2 ILE 28 -6.241 5.642 -4.623 185 HG23 ILE 28 3HG2 ILE 28 -5.197 4.568 -3.662 186 HD11 ILE 28 1HD1 ILE 28 -6.619 3.119 -7.822 187 HD12 ILE 28 2HD1 ILE 28 -5.079 3.255 -8.704 188 HD13 ILE 28 3HD1 ILE 28 -5.508 1.730 -7.893 189 H VAL 29 H VAL 29 -5.793 2.889 -2.079 190 HA VAL 29 HA VAL 29 -8.514 3.784 -1.539 191 HB VAL 29 HB VAL 29 -7.978 2.223 0.645 192 HG11 VAL 29 1HG1 VAL 29 -10.140 2.403 -0.429 193 HG12 VAL 29 2HG1 VAL 29 -9.546 1.527 -1.860 194 HG13 VAL 29 3HG1 VAL 29 -9.697 0.684 -0.299 195 HG21 VAL 29 1HG2 VAL 29 -7.048 0.175 0.087 196 HG22 VAL 29 2HG2 VAL 29 -7.349 0.389 -1.654 197 HG23 VAL 29 3HG2 VAL 29 -6.039 1.295 -0.859 198 H ARG 30 H ARG 30 -8.390 5.689 -0.479 199 HA ARG 30 HA ARG 30 -5.864 6.293 0.778 200 HB2 ARG 30 1HB ARG 30 -8.187 7.906 -0.281 201 HB3 ARG 30 2HB ARG 30 -7.217 8.627 0.988 202 HG2 ARG 30 1HG ARG 30 -5.229 8.590 -0.330 203 HG3 ARG 30 2HG ARG 30 -5.870 7.390 -1.434 204 HD2 ARG 30 1HD ARG 30 -7.716 9.475 -1.682 205 HD3 ARG 30 2HD ARG 30 -6.205 10.335 -1.460 206 HE ARG 30 HE ARG 30 -6.062 8.132 -3.407 207 HH11 ARG 30 2HH2 ARG 30 -6.679 11.563 -2.926 208 HH12 ARG 30 1HH2 ARG 30 -6.351 11.983 -4.574 209 HH21 ARG 30 2HH1 ARG 30 -5.629 8.686 -5.581 210 HH22 ARG 30 1HH1 ARG 30 -5.750 10.336 -6.095 211 H ILE 31 H ILE 31 -5.714 5.790 2.945 212 HA ILE 31 HA ILE 31 -8.176 5.933 4.524 213 HB ILE 31 HB ILE 31 -5.568 4.481 4.971 214 HG12 ILE 31 1HG1 ILE 31 -8.365 3.450 4.415 215 HG13 ILE 31 2HG1 ILE 31 -7.051 3.502 3.257 216 HG21 ILE 31 1HG2 ILE 31 -7.119 5.498 6.973 217 HG22 ILE 31 2HG2 ILE 31 -7.837 3.885 6.749 218 HG23 ILE 31 3HG2 ILE 31 -6.100 4.045 7.105 219 HD11 ILE 31 1HD1 ILE 31 -7.611 1.382 4.977 220 HD12 ILE 31 2HD1 ILE 31 -6.072 1.634 4.117 221 HD13 ILE 31 3HD1 ILE 31 -6.261 2.210 5.791 222 H GLU 32 H GLU 32 -8.337 7.255 6.338 223 HA GLU 32 HA GLU 32 -6.318 9.313 6.418 224 HB2 GLU 32 1HB GLU 32 -9.092 9.086 7.655 225 HB3 GLU 32 2HB GLU 32 -8.023 10.441 7.959 226 HG2 GLU 32 1HG GLU 32 -7.881 10.449 5.258 227 HG3 GLU 32 2HG GLU 32 -9.444 9.673 5.418 228 H LYS 33 H LYS 33 -4.563 8.781 7.674 229 HA LYS 33 HA LYS 33 -5.125 7.453 10.226 230 HB2 LYS 33 1HB LYS 33 -3.507 6.527 8.356 231 HB3 LYS 33 2HB LYS 33 -2.377 7.677 9.042 232 HG2 LYS 33 1HG LYS 33 -2.553 6.665 11.249 233 HG3 LYS 33 2HG LYS 33 -3.911 5.673 10.755 234 HD2 LYS 33 1HD LYS 33 -2.560 4.084 9.830 235 HD3 LYS 33 2HD LYS 33 -1.580 5.276 8.999 236 HE2 LYS 33 1HE LYS 33 -0.201 5.655 10.949 237 HE3 LYS 33 2HE LYS 33 -1.322 4.812 11.999 238 HZ1 LYS 33 1HZ LYS 33 -0.502 3.150 9.884 239 HZ2 LYS 33 2HZ LYS 33 0.801 3.729 10.680 240 HZ3 LYS 33 3HZ LYS 33 -0.357 2.913 11.493 241 H ALA 34 H ALA 34 -4.943 8.591 12.084 242 HA ALA 34 HA ALA 34 -3.858 11.290 11.858 243 HB1 ALA 34 1HB ALA 34 -5.800 9.857 13.648 244 HB2 ALA 34 2HB ALA 34 -4.921 11.261 14.300 245 HB3 ALA 34 3HB ALA 34 -5.942 11.444 12.853 246 H ARG 35 H ARG 35 -1.992 11.936 12.883 247 HA ARG 35 HA ARG 35 -0.161 10.041 13.586 248 HB2 ARG 35 1HB ARG 35 -0.402 13.013 14.195 249 HB3 ARG 35 2HB ARG 35 0.969 12.098 14.792 250 HG2 ARG 35 1HG ARG 35 1.717 11.548 12.579 251 HG3 ARG 35 2HG ARG 35 0.180 11.982 11.858 252 HD2 ARG 35 1HD ARG 35 1.150 14.305 13.261 253 HD3 ARG 35 2HD ARG 35 2.486 13.670 12.322 254 HE ARG 35 HE ARG 35 1.308 14.138 10.321 255 HH11 ARG 35 2HH2 ARG 35 -0.758 14.651 13.123 256 HH12 ARG 35 1HH2 ARG 35 -1.991 15.470 12.224 257 HH21 ARG 35 2HH1 ARG 35 -0.319 15.219 9.134 258 HH22 ARG 35 1HH1 ARG 35 -1.740 15.795 9.939 259 H ASP 36 H ASP 36 -1.175 8.551 15.105 260 HA ASP 36 HA ASP 36 -0.506 8.637 17.609 261 HB2 ASP 36 1HB ASP 36 -2.777 10.519 17.219 262 HB3 ASP 36 2HB ASP 36 -3.026 9.374 18.523 263 H ILE 37 H ILE 37 -2.995 8.043 15.196 264 HA ILE 37 HA ILE 37 -4.212 5.906 16.736 265 HB ILE 37 HB ILE 37 -4.872 7.484 14.330 266 HG12 ILE 37 1HG1 ILE 37 -6.045 6.728 16.903 267 HG13 ILE 37 2HG1 ILE 37 -6.307 8.152 15.917 268 HG21 ILE 37 1HG2 ILE 37 -5.858 4.633 14.615 269 HG22 ILE 37 2HG2 ILE 37 -6.384 5.829 13.406 270 HG23 ILE 37 3HG2 ILE 37 -4.713 5.215 13.383 271 HD11 ILE 37 1HD1 ILE 37 -7.562 5.406 15.462 272 HD12 ILE 37 2HD1 ILE 37 -8.390 6.857 16.075 273 HD13 ILE 37 3HD1 ILE 37 -7.791 6.815 14.399 274 HA PRO 38 HA PRO 38 -1.531 2.991 14.964 275 HB2 PRO 38 1HB PRO 38 -2.675 0.727 15.983 276 HB3 PRO 38 2HB PRO 38 -1.542 1.717 16.882 277 HG2 PRO 38 1HG PRO 38 -4.476 1.518 17.186 278 HG3 PRO 38 2HG PRO 38 -3.295 2.150 18.317 279 HD2 PRO 38 1HD PRO 38 -5.066 3.674 16.653 280 HD3 PRO 38 2HD PRO 38 -3.807 4.304 17.697 281 H LEU 39 H LEU 39 -1.599 0.836 13.685 282 HA LEU 39 HA LEU 39 -3.363 1.421 11.502 283 HB2 LEU 39 1HB LEU 39 -1.006 0.721 11.233 284 HB3 LEU 39 2HB LEU 39 -1.407 -0.846 11.908 285 HG LEU 39 HG LEU 39 -2.595 -1.521 10.030 286 HD11 LEU 39 1HD1 LEU 39 -3.005 1.407 9.509 287 HD12 LEU 39 2HD1 LEU 39 -3.168 0.230 8.185 288 HD13 LEU 39 3HD1 LEU 39 -4.198 0.092 9.630 289 HD21 LEU 39 1HD2 LEU 39 -0.168 0.077 9.364 290 HD22 LEU 39 2HD2 LEU 39 -0.479 -1.668 9.205 291 HD23 LEU 39 3HD2 LEU 39 -1.162 -0.531 8.018 292 H GLY 40 H GLY 40 -2.828 -1.452 13.668 293 HA2 GLY 40 1HA GLY 40 -4.332 -2.890 14.550 294 HA3 GLY 40 2HA GLY 40 -5.634 -1.851 14.006 295 H ALA 41 H ALA 41 -3.096 -3.116 11.820 296 HA ALA 41 HA ALA 41 -4.898 -5.176 10.849 297 HB1 ALA 41 1HB ALA 41 -5.631 -3.311 9.525 298 HB2 ALA 41 2HB ALA 41 -3.957 -2.790 9.218 299 HB3 ALA 41 3HB ALA 41 -4.570 -4.293 8.487 300 H THR 42 H THR 42 -3.680 -6.986 10.707 301 HA THR 42 HA THR 42 -0.796 -6.704 10.580 302 HB THR 42 HB THR 42 -2.358 -9.310 10.648 303 HG1 THR 42 1HG THR 42 -3.339 -8.370 12.405 304 HG21 THR 42 1HG2 THR 42 0.085 -8.291 12.191 305 HG22 THR 42 2HG2 THR 42 -0.570 -9.946 12.227 306 HG23 THR 42 3HG2 THR 42 0.176 -9.316 10.739 307 H VAL 43 H VAL 43 0.560 -7.691 9.006 308 HA VAL 43 HA VAL 43 -0.774 -8.577 6.579 309 HB VAL 43 HB VAL 43 0.317 -7.028 5.169 310 HG11 VAL 43 1HG1 VAL 43 -1.736 -6.278 6.546 311 HG12 VAL 43 2HG1 VAL 43 -0.585 -5.262 7.447 312 HG13 VAL 43 3HG1 VAL 43 -0.794 -5.030 5.694 313 HG21 VAL 43 1HG2 VAL 43 2.372 -6.329 5.701 314 HG22 VAL 43 2HG2 VAL 43 1.607 -5.134 6.776 315 HG23 VAL 43 3HG2 VAL 43 2.128 -6.709 7.423 316 H ARG 44 H ARG 44 0.409 -10.135 5.471 317 HA ARG 44 HA ARG 44 2.870 -10.870 6.820 318 HB2 ARG 44 1HB ARG 44 2.495 -13.136 5.912 319 HB3 ARG 44 2HB ARG 44 1.054 -12.592 6.748 320 HG2 ARG 44 1HG ARG 44 0.848 -11.702 4.016 321 HG3 ARG 44 2HG ARG 44 1.333 -13.386 3.982 322 HD2 ARG 44 1HD ARG 44 -0.566 -13.986 5.477 323 HD3 ARG 44 2HD ARG 44 -1.035 -12.301 5.585 324 HE ARG 44 HE ARG 44 -0.993 -12.774 2.852 325 HH11 ARG 44 2HH2 ARG 44 -2.585 -14.325 5.581 326 HH12 ARG 44 1HH2 ARG 44 -3.943 -14.860 4.648 327 HH21 ARG 44 2HH1 ARG 44 -2.785 -13.479 1.622 328 HH22 ARG 44 1HH1 ARG 44 -4.058 -14.375 2.381 329 H ASN 45 H ASN 45 4.785 -11.375 5.554 330 HA ASN 45 HA ASN 45 4.754 -10.011 3.014 331 HB2 ASN 45 1HB ASN 45 6.742 -10.591 5.122 332 HB3 ASN 45 2HB ASN 45 7.376 -10.944 3.527 333 HD21 ASN 45 1HD2 ASN 45 6.093 -9.115 1.954 334 HD22 ASN 45 2HD2 ASN 45 6.581 -7.502 2.354 335 H GLU 46 H GLU 46 4.134 -11.404 1.331 336 HA GLU 46 HA GLU 46 4.719 -14.182 1.522 337 HB2 GLU 46 1HB GLU 46 2.894 -12.514 0.074 338 HB3 GLU 46 2HB GLU 46 3.828 -13.395 -1.119 339 HG2 GLU 46 1HG GLU 46 2.155 -14.544 1.151 340 HG3 GLU 46 2HG GLU 46 1.930 -14.781 -0.571 341 H MET 47 H MET 47 5.634 -15.268 -0.639 342 HA MET 47 HA MET 47 8.074 -15.345 -0.929 343 HB2 MET 47 1HB MET 47 6.262 -14.569 -3.275 344 HB3 MET 47 2HB MET 47 7.899 -15.147 -3.516 345 HG2 MET 47 1HG MET 47 6.073 -16.794 -1.764 346 HG3 MET 47 2HG MET 47 5.795 -16.830 -3.494 347 HE1 MET 47 1HE MET 47 6.340 -19.490 -2.463 348 HE2 MET 47 2HE MET 47 8.006 -19.992 -2.084 349 HE3 MET 47 3HE MET 47 7.134 -18.898 -0.984 350 H ASP 48 H ASP 48 6.561 -12.507 -2.645 351 HA ASP 48 HA ASP 48 8.752 -10.897 -1.706 352 HB2 ASP 48 1HB ASP 48 8.112 -11.371 -4.650 353 HB3 ASP 48 2HB ASP 48 9.021 -9.975 -4.106 354 H SER 49 H SER 49 5.664 -11.294 -1.560 355 HA SER 49 HA SER 49 5.038 -8.528 -2.194 356 HB2 SER 49 1HB SER 49 3.547 -11.012 -3.040 357 HB3 SER 49 2HB SER 49 2.624 -9.566 -2.679 358 HG SER 49 HG SER 49 3.362 -9.876 -4.977 359 H VAL 50 H VAL 50 3.903 -7.468 -0.550 360 HA VAL 50 HA VAL 50 3.495 -9.018 1.866 361 HB VAL 50 HB VAL 50 4.685 -7.040 2.213 362 HG11 VAL 50 1HG1 VAL 50 4.594 -5.603 0.465 363 HG12 VAL 50 2HG1 VAL 50 2.873 -5.928 0.147 364 HG13 VAL 50 3HG1 VAL 50 3.341 -4.807 1.447 365 HG21 VAL 50 1HG2 VAL 50 3.513 -6.254 3.967 366 HG22 VAL 50 2HG2 VAL 50 2.137 -5.759 2.953 367 HG23 VAL 50 3HG2 VAL 50 2.287 -7.451 3.484 368 H ILE 51 H ILE 51 1.576 -9.992 2.229 369 HA ILE 51 HA ILE 51 -0.801 -8.654 1.133 370 HB ILE 51 HB ILE 51 -0.138 -11.581 1.396 371 HG12 ILE 51 1HG1 ILE 51 -0.714 -11.562 -1.039 372 HG13 ILE 51 2HG1 ILE 51 -0.855 -9.817 -0.963 373 HG21 ILE 51 1HG2 ILE 51 -2.479 -11.926 0.476 374 HG22 ILE 51 2HG2 ILE 51 -2.357 -11.469 2.192 375 HG23 ILE 51 3HG2 ILE 51 -2.819 -10.252 0.978 376 HD11 ILE 51 1HD1 ILE 51 1.413 -9.503 -0.877 377 HD12 ILE 51 2HD1 ILE 51 1.660 -10.890 0.211 378 HD13 ILE 51 3HD1 ILE 51 1.476 -11.154 -1.540 379 H ILE 52 H ILE 52 -2.691 -8.601 2.464 380 HA ILE 52 HA ILE 52 -2.167 -8.155 5.155 381 HB ILE 52 HB ILE 52 -4.789 -8.729 3.769 382 HG12 ILE 52 1HG1 ILE 52 -3.579 -6.904 2.694 383 HG13 ILE 52 2HG1 ILE 52 -4.990 -6.308 3.545 384 HG21 ILE 52 1HG2 ILE 52 -5.842 -7.560 5.611 385 HG22 ILE 52 2HG2 ILE 52 -4.911 -8.948 6.224 386 HG23 ILE 52 3HG2 ILE 52 -4.262 -7.299 6.388 387 HD11 ILE 52 1HD1 ILE 52 -2.118 -6.228 4.579 388 HD12 ILE 52 2HD1 ILE 52 -3.063 -4.841 3.985 389 HD13 ILE 52 3HD1 ILE 52 -3.543 -5.668 5.487 390 H SER 53 H SER 53 -2.475 -9.369 7.042 391 HA SER 53 HA SER 53 -2.800 -12.216 6.508 392 HB2 SER 53 1HB SER 53 -0.974 -12.580 7.788 393 HB3 SER 53 2HB SER 53 -0.714 -10.847 7.805 394 HG SER 53 HG SER 53 -1.114 -10.898 9.899 395 H ARG 54 H ARG 54 -3.481 -9.537 8.852 396 HA ARG 54 HA ARG 54 -6.006 -10.788 9.384 397 HB2 ARG 54 1HB ARG 54 -4.593 -11.786 11.137 398 HB3 ARG 54 2HB ARG 54 -3.951 -10.216 11.576 399 HG2 ARG 54 1HG ARG 54 -6.084 -9.474 12.446 400 HG3 ARG 54 2HG ARG 54 -6.932 -10.828 11.724 401 HD2 ARG 54 1HD ARG 54 -4.906 -12.000 13.344 402 HD3 ARG 54 2HD ARG 54 -5.554 -10.683 14.302 403 HE ARG 54 HE ARG 54 -6.899 -13.152 13.695 404 HH11 ARG 54 2HH2 ARG 54 -7.530 -9.708 14.042 405 HH12 ARG 54 1HH2 ARG 54 -9.187 -9.927 14.497 406 HH21 ARG 54 2HH1 ARG 54 -9.085 -13.442 14.295 407 HH22 ARG 54 1HH1 ARG 54 -10.077 -12.065 14.642 408 H ILE 55 H ILE 55 -7.450 -9.254 10.717 409 HA ILE 55 HA ILE 55 -6.533 -6.481 10.435 410 HB ILE 55 HB ILE 55 -9.223 -7.616 9.667 411 HG12 ILE 55 1HG1 ILE 55 -7.493 -8.045 8.001 412 HG13 ILE 55 2HG1 ILE 55 -8.659 -6.876 7.414 413 HG21 ILE 55 1HG2 ILE 55 -10.123 -5.554 9.595 414 HG22 ILE 55 2HG2 ILE 55 -8.878 -5.190 10.814 415 HG23 ILE 55 3HG2 ILE 55 -8.596 -4.781 9.105 416 HD11 ILE 55 1HD1 ILE 55 -6.708 -5.302 8.706 417 HD12 ILE 55 2HD1 ILE 55 -5.783 -6.557 7.847 418 HD13 ILE 55 3HD1 ILE 55 -6.910 -5.511 6.950 419 H VAL 56 H VAL 56 -6.533 -5.440 12.349 420 HA VAL 56 HA VAL 56 -7.970 -6.681 14.546 421 HB VAL 56 HB VAL 56 -6.116 -4.297 14.566 422 HG11 VAL 56 1HG1 VAL 56 -6.530 -6.250 16.821 423 HG12 VAL 56 2HG1 VAL 56 -5.980 -4.558 16.872 424 HG13 VAL 56 3HG1 VAL 56 -7.692 -4.928 16.552 425 HG21 VAL 56 1HG2 VAL 56 -4.426 -5.654 14.037 426 HG22 VAL 56 2HG2 VAL 56 -4.747 -6.566 15.531 427 HG23 VAL 56 3HG2 VAL 56 -5.508 -7.067 14.002 428 H LYS 57 H LYS 57 -9.457 -5.491 15.903 429 HA LYS 57 HA LYS 57 -11.125 -3.765 14.351 430 HB2 LYS 57 1HB LYS 57 -12.314 -5.247 15.695 431 HB3 LYS 57 2HB LYS 57 -11.255 -5.028 17.074 432 HG2 LYS 57 1HG LYS 57 -13.283 -3.840 17.595 433 HG3 LYS 57 2HG LYS 57 -12.084 -2.616 17.228 434 HD2 LYS 57 1HD LYS 57 -13.580 -1.782 15.731 435 HD3 LYS 57 2HD LYS 57 -13.176 -3.151 14.715 436 HE2 LYS 57 1HE LYS 57 -15.005 -4.487 15.752 437 HE3 LYS 57 2HE LYS 57 -15.390 -3.154 16.823 438 HZ1 LYS 57 1HZ LYS 57 -16.732 -3.337 14.745 439 HZ2 LYS 57 2HZ LYS 57 -16.081 -1.865 15.022 440 HZ3 LYS 57 3HZ LYS 57 -15.415 -2.855 13.907 441 H GLY 58 H GLY 58 -11.674 -1.560 14.836 442 HA2 GLY 58 1HA GLY 58 -11.322 0.531 15.630 443 HA3 GLY 58 2HA GLY 58 -10.247 -0.114 16.854 444 H GLY 59 H GLY 59 -9.175 -1.459 13.979 445 HA2 GLY 59 1HA GLY 59 -6.911 0.323 13.864 446 HA3 GLY 59 2HA GLY 59 -7.173 -1.144 12.943 447 H ALA 60 H ALA 60 -6.553 1.958 12.414 448 HA ALA 60 HA ALA 60 -8.469 3.196 11.011 449 HB1 ALA 60 1HB ALA 60 -6.514 3.960 9.505 450 HB2 ALA 60 2HB ALA 60 -6.357 4.242 11.256 451 HB3 ALA 60 3HB ALA 60 -5.499 2.883 10.493 452 H ALA 61 H ALA 61 -6.567 0.329 9.979 453 HA ALA 61 HA ALA 61 -7.419 0.315 7.316 454 HB1 ALA 61 1HB ALA 61 -6.991 -2.340 8.433 455 HB2 ALA 61 2HB ALA 61 -6.002 -1.431 7.266 456 HB3 ALA 61 3HB ALA 61 -5.756 -1.198 9.013 457 H GLU 62 H GLU 62 -8.660 -1.472 10.230 458 HA GLU 62 HA GLU 62 -10.761 -2.652 8.876 459 HB2 GLU 62 1HB GLU 62 -10.173 -3.585 10.974 460 HB3 GLU 62 2HB GLU 62 -10.207 -2.034 11.789 461 HG2 GLU 62 1HG GLU 62 -12.536 -2.016 11.979 462 HG3 GLU 62 2HG GLU 62 -12.774 -2.974 10.531 463 H LYS 63 H LYS 63 -10.770 0.250 11.077 464 HA LYS 63 HA LYS 63 -13.352 0.972 10.914 465 HB2 LYS 63 1HB LYS 63 -11.060 2.942 10.708 466 HB3 LYS 63 2HB LYS 63 -12.646 3.220 11.398 467 HG2 LYS 63 1HG LYS 63 -11.969 1.116 12.932 468 HG3 LYS 63 2HG LYS 63 -10.344 1.622 12.514 469 HD2 LYS 63 1HD LYS 63 -12.475 3.186 14.007 470 HD3 LYS 63 2HD LYS 63 -10.844 2.807 14.524 471 HE2 LYS 63 1HE LYS 63 -10.350 4.230 12.198 472 HE3 LYS 63 2HE LYS 63 -11.809 5.013 12.770 473 HZ1 LYS 63 1HZ LYS 63 -9.239 4.775 14.129 474 HZ2 LYS 63 2HZ LYS 63 -10.126 6.116 13.844 475 HZ3 LYS 63 3HZ LYS 63 -10.598 5.054 14.991 476 H SER 64 H SER 64 -10.838 2.275 8.627 477 HA SER 64 HA SER 64 -12.698 3.364 6.914 478 HB2 SER 64 1HB SER 64 -10.827 3.497 5.295 479 HB3 SER 64 2HB SER 64 -10.319 3.988 6.898 480 HG SER 64 HG SER 64 -9.746 1.535 5.504 481 H GLY 65 H GLY 65 -11.529 0.057 7.331 482 HA2 GLY 65 1HA GLY 65 -12.074 -1.883 6.338 483 HA3 GLY 65 2HA GLY 65 -13.560 -1.107 5.828 484 H LEU 66 H LEU 66 -10.140 -0.283 4.958 485 HA LEU 66 HA LEU 66 -10.921 -0.650 2.157 486 HB2 LEU 66 1HB LEU 66 -8.669 0.979 3.341 487 HB3 LEU 66 2HB LEU 66 -9.080 0.866 1.642 488 HG LEU 66 HG LEU 66 -10.640 2.198 3.855 489 HD11 LEU 66 1HD1 LEU 66 -8.704 3.187 2.219 490 HD12 LEU 66 2HD1 LEU 66 -10.170 3.559 1.281 491 HD13 LEU 66 3HD1 LEU 66 -10.008 4.154 2.951 492 HD21 LEU 66 1HD2 LEU 66 -11.625 1.170 1.224 493 HD22 LEU 66 2HD2 LEU 66 -12.439 1.246 2.805 494 HD23 LEU 66 3HD2 LEU 66 -12.246 2.724 1.832 495 H LEU 67 H LEU 67 -9.141 -2.018 4.765 496 HA LEU 67 HA LEU 67 -7.407 -3.447 2.881 497 HB2 LEU 67 1HB LEU 67 -7.188 -2.885 5.834 498 HB3 LEU 67 2HB LEU 67 -6.206 -4.094 5.030 499 HG LEU 67 HG LEU 67 -4.864 -2.169 5.165 500 HD11 LEU 67 1HD1 LEU 67 -5.758 -1.629 2.393 501 HD12 LEU 67 2HD1 LEU 67 -4.148 -2.043 3.029 502 HD13 LEU 67 3HD1 LEU 67 -5.361 -3.321 2.778 503 HD21 LEU 67 1HD2 LEU 67 -5.547 -0.029 5.144 504 HD22 LEU 67 2HD2 LEU 67 -6.618 -0.270 3.743 505 HD23 LEU 67 3HD2 LEU 67 -7.165 -0.736 5.372 506 H HIS 68 H HIS 68 -7.673 -5.614 2.537 507 HA HIS 68 HA HIS 68 -9.468 -7.007 4.370 508 HB2 HIS 68 1HB HIS 68 -9.650 -7.120 1.347 509 HB3 HIS 68 2HB HIS 68 -10.592 -8.084 2.467 510 HD1 HIS 68 1HD HIS 68 -11.130 -5.370 0.372 511 HD2 HIS 68 2HD HIS 68 -11.874 -5.953 4.459 512 HE1 HIS 68 1HE HIS 68 -12.928 -3.679 1.020 513 H GLU 69 H GLU 69 -8.837 -9.104 4.860 514 HA GLU 69 HA GLU 69 -6.242 -9.788 4.576 515 HB2 GLU 69 1HB GLU 69 -8.680 -11.586 4.913 516 HB3 GLU 69 2HB GLU 69 -7.033 -12.152 5.110 517 HG2 GLU 69 1HG GLU 69 -6.644 -10.524 6.929 518 HG3 GLU 69 2HG GLU 69 -8.233 -9.826 6.685 519 H GLY 70 H GLY 70 -4.967 -10.451 2.900 520 HA2 GLY 70 1HA GLY 70 -4.585 -11.998 1.129 521 HA3 GLY 70 2HA GLY 70 -6.268 -11.864 0.660 522 H ASP 71 H ASP 71 -5.416 -8.759 1.551 523 HA ASP 71 HA ASP 71 -5.282 -7.966 -1.165 524 HB2 ASP 71 1HB ASP 71 -5.547 -6.683 1.508 525 HB3 ASP 71 2HB ASP 71 -4.690 -5.704 0.335 526 H GLU 72 H GLU 72 -3.378 -7.596 -2.328 527 HA GLU 72 HA GLU 72 -0.911 -7.827 -0.856 528 HB2 GLU 72 1HB GLU 72 -1.071 -9.209 -2.829 529 HB3 GLU 72 2HB GLU 72 -1.593 -7.861 -3.820 530 HG2 GLU 72 1HG GLU 72 0.580 -6.814 -3.730 531 HG3 GLU 72 2HG GLU 72 1.109 -7.848 -2.417 532 H VAL 73 H VAL 73 0.517 -6.145 -0.491 533 HA VAL 73 HA VAL 73 -0.358 -3.530 -1.467 534 HB VAL 73 HB VAL 73 1.623 -4.205 0.713 535 HG11 VAL 73 1HG1 VAL 73 1.335 -1.919 1.425 536 HG12 VAL 73 2HG1 VAL 73 1.750 -1.922 -0.305 537 HG13 VAL 73 3HG1 VAL 73 0.067 -1.648 0.205 538 HG21 VAL 73 1HG2 VAL 73 -1.376 -3.845 0.818 539 HG22 VAL 73 2HG2 VAL 73 -0.382 -5.157 1.495 540 HG23 VAL 73 3HG2 VAL 73 -0.341 -3.537 2.233 541 H LEU 74 H LEU 74 0.963 -2.226 -2.733 542 HA LEU 74 HA LEU 74 3.557 -3.395 -3.453 543 HB2 LEU 74 1HB LEU 74 1.819 -1.960 -5.436 544 HB3 LEU 74 2HB LEU 74 3.216 -2.977 -5.726 545 HG LEU 74 HG LEU 74 0.579 -4.006 -4.649 546 HD11 LEU 74 1HD1 LEU 74 0.347 -3.024 -6.920 547 HD12 LEU 74 2HD1 LEU 74 1.593 -4.155 -7.500 548 HD13 LEU 74 3HD1 LEU 74 0.051 -4.778 -6.867 549 HD21 LEU 74 1HD2 LEU 74 3.152 -5.315 -5.491 550 HD22 LEU 74 2HD2 LEU 74 2.173 -5.571 -4.027 551 HD23 LEU 74 3HD2 LEU 74 1.606 -6.190 -5.597 552 H GLU 75 H GLU 75 1.454 -0.475 -3.218 553 HA GLU 75 HA GLU 75 3.841 0.987 -2.497 554 HB2 GLU 75 1HB GLU 75 2.566 1.260 -5.047 555 HB3 GLU 75 2HB GLU 75 2.190 2.710 -4.138 556 HG2 GLU 75 1HG GLU 75 4.581 3.102 -3.678 557 HG3 GLU 75 2HG GLU 75 5.013 1.579 -4.430 558 H ILE 76 H ILE 76 3.469 2.515 -0.873 559 HA ILE 76 HA ILE 76 0.649 2.914 -0.156 560 HB ILE 76 HB ILE 76 3.007 2.180 1.543 561 HG12 ILE 76 1HG1 ILE 76 0.174 1.167 1.231 562 HG13 ILE 76 2HG1 ILE 76 1.664 0.334 0.836 563 HG21 ILE 76 1HG2 ILE 76 0.942 2.779 3.313 564 HG22 ILE 76 2HG2 ILE 76 2.456 3.685 3.084 565 HG23 ILE 76 3HG2 ILE 76 0.989 4.165 2.198 566 HD11 ILE 76 1HD1 ILE 76 1.423 -0.604 2.908 567 HD12 ILE 76 2HD1 ILE 76 2.103 0.934 3.492 568 HD13 ILE 76 3HD1 ILE 76 0.340 0.692 3.470 569 H ASN 77 H ASN 77 0.250 4.951 -0.909 570 HA ASN 77 HA ASN 77 0.240 7.148 -0.625 571 HB2 ASN 77 1HB ASN 77 1.901 6.595 1.466 572 HB3 ASN 77 2HB ASN 77 3.067 7.363 0.406 573 HD21 ASN 77 1HD2 ASN 77 0.883 7.862 2.803 574 HD22 ASN 77 2HD2 ASN 77 0.538 9.548 2.606 575 H GLY 78 H GLY 78 3.258 5.436 -1.572 576 HA2 GLY 78 1HA GLY 78 3.369 6.158 -4.180 577 HA3 GLY 78 2HA GLY 78 4.140 7.509 -3.373 578 H ILE 79 H ILE 79 5.063 5.663 -1.096 579 HA ILE 79 HA ILE 79 7.546 4.965 -2.325 580 HB ILE 79 HB ILE 79 6.580 4.412 0.480 581 HG12 ILE 79 1HG1 ILE 79 8.177 6.631 0.655 582 HG13 ILE 79 2HG1 ILE 79 7.332 6.940 -0.849 583 HG21 ILE 79 1HG2 ILE 79 8.518 3.178 0.233 584 HG22 ILE 79 2HG2 ILE 79 9.254 4.350 -0.886 585 HG23 ILE 79 3HG2 ILE 79 9.139 4.728 0.849 586 HD11 ILE 79 1HD1 ILE 79 6.304 7.539 1.610 587 HD12 ILE 79 2HD1 ILE 79 5.295 7.198 0.184 588 HD13 ILE 79 3HD1 ILE 79 5.621 5.912 1.371 589 H GLU 80 H GLU 80 8.437 2.881 -2.627 590 HA GLU 80 HA GLU 80 6.606 0.979 -3.458 591 HB2 GLU 80 1HB GLU 80 9.379 1.398 -3.650 592 HB3 GLU 80 2HB GLU 80 9.248 -0.124 -2.791 593 HG2 GLU 80 1HG GLU 80 7.399 -0.620 -4.694 594 HG3 GLU 80 2HG GLU 80 8.330 0.574 -5.576 595 H ILE 81 H ILE 81 6.304 -1.268 -2.620 596 HA ILE 81 HA ILE 81 6.792 -1.479 0.255 597 HB ILE 81 HB ILE 81 4.176 -1.440 -1.154 598 HG12 ILE 81 1HG1 ILE 81 5.381 0.189 0.668 599 HG13 ILE 81 2HG1 ILE 81 3.654 0.103 0.385 600 HG21 ILE 81 1HG2 ILE 81 3.286 -2.749 0.918 601 HG22 ILE 81 2HG2 ILE 81 3.922 -3.636 -0.489 602 HG23 ILE 81 3HG2 ILE 81 4.930 -3.429 0.963 603 HD11 ILE 81 1HD1 ILE 81 4.890 -1.867 2.311 604 HD12 ILE 81 2HD1 ILE 81 4.632 -0.187 2.840 605 HD13 ILE 81 3HD1 ILE 81 3.251 -1.174 2.303 606 H ARG 82 H ARG 82 5.484 -3.188 -2.675 607 HA ARG 82 HA ARG 82 5.788 -5.703 -1.910 608 HB2 ARG 82 1HB ARG 82 5.395 -4.404 -4.332 609 HB3 ARG 82 2HB ARG 82 6.924 -5.209 -4.624 610 HG2 ARG 82 1HG ARG 82 5.739 -7.336 -3.617 611 HG3 ARG 82 2HG ARG 82 4.251 -6.457 -3.907 612 HD2 ARG 82 1HD ARG 82 5.519 -6.097 -6.328 613 HD3 ARG 82 2HD ARG 82 6.152 -7.665 -5.870 614 HE ARG 82 HE ARG 82 3.372 -7.766 -5.372 615 HH11 ARG 82 2HH2 ARG 82 5.497 -7.333 -8.143 616 HH12 ARG 82 1HH2 ARG 82 4.378 -8.024 -9.271 617 HH21 ARG 82 2HH1 ARG 82 1.896 -8.678 -6.858 618 HH22 ARG 82 1HH1 ARG 82 2.316 -8.794 -8.535 619 H GLY 83 H GLY 83 7.461 -6.966 -1.147 620 HA2 GLY 83 1HA GLY 83 9.619 -7.886 -1.425 621 HA3 GLY 83 2HA GLY 83 10.190 -6.363 -2.076 622 H LYS 84 H LYS 84 8.735 -4.729 0.005 623 HA LYS 84 HA LYS 84 10.816 -4.637 1.887 624 HB2 LYS 84 1HB LYS 84 8.100 -3.331 1.690 625 HB3 LYS 84 2HB LYS 84 9.151 -3.062 3.065 626 HG2 LYS 84 1HG LYS 84 10.827 -2.013 1.753 627 HG3 LYS 84 2HG LYS 84 10.262 -2.744 0.264 628 HD2 LYS 84 1HD LYS 84 8.695 -1.108 -0.101 629 HD3 LYS 84 2HD LYS 84 8.218 -1.047 1.585 630 HE2 LYS 84 1HE LYS 84 9.469 1.020 0.501 631 HE3 LYS 84 2HE LYS 84 9.851 0.540 2.143 632 HZ1 LYS 84 1HZ LYS 84 11.860 -0.164 1.526 633 HZ2 LYS 84 2HZ LYS 84 11.363 -0.803 0.108 634 HZ3 LYS 84 3HZ LYS 84 11.650 0.801 0.225 635 H ASP 85 H ASP 85 10.578 -4.908 4.277 636 HA ASP 85 HA ASP 85 9.356 -7.448 4.738 637 HB2 ASP 85 1HB ASP 85 11.597 -6.928 5.654 638 HB3 ASP 85 2HB ASP 85 10.947 -5.562 6.539 639 H VAL 86 H VAL 86 7.927 -7.766 6.740 640 HA VAL 86 HA VAL 86 5.734 -6.105 6.712 641 HB VAL 86 HB VAL 86 5.208 -7.246 8.905 642 HG11 VAL 86 1HG1 VAL 86 5.970 -8.869 6.459 643 HG12 VAL 86 2HG1 VAL 86 5.047 -9.525 7.832 644 HG13 VAL 86 3HG1 VAL 86 4.378 -8.187 6.867 645 HG21 VAL 86 1HG2 VAL 86 8.044 -7.967 8.635 646 HG22 VAL 86 2HG2 VAL 86 6.988 -7.972 10.068 647 HG23 VAL 86 3HG2 VAL 86 6.980 -9.359 8.952 648 H ASN 87 H ASN 87 8.573 -6.146 8.956 649 HA ASN 87 HA ASN 87 7.660 -4.209 10.658 650 HB2 ASN 87 1HB ASN 87 10.069 -5.655 10.228 651 HB3 ASN 87 2HB ASN 87 10.551 -3.972 10.140 652 HD21 ASN 87 1HD2 ASN 87 8.557 -6.204 12.058 653 HD22 ASN 87 2HD2 ASN 87 8.898 -5.526 13.615 654 H GLU 88 H GLU 88 9.585 -4.002 7.590 655 HA GLU 88 HA GLU 88 10.026 -1.272 7.688 656 HB2 GLU 88 1HB GLU 88 10.305 -3.458 5.737 657 HB3 GLU 88 2HB GLU 88 9.905 -1.937 4.964 658 HG2 GLU 88 1HG GLU 88 12.236 -2.444 6.871 659 HG3 GLU 88 2HG GLU 88 12.347 -2.144 5.148 660 H VAL 89 H VAL 89 7.479 -3.195 5.948 661 HA VAL 89 HA VAL 89 6.156 -1.066 4.802 662 HB VAL 89 HB VAL 89 5.266 -3.779 5.767 663 HG11 VAL 89 1HG1 VAL 89 3.646 -1.659 4.331 664 HG12 VAL 89 2HG1 VAL 89 3.232 -3.390 4.295 665 HG13 VAL 89 3HG1 VAL 89 3.255 -2.512 5.844 666 HG21 VAL 89 1HG2 VAL 89 6.443 -2.663 3.310 667 HG22 VAL 89 2HG2 VAL 89 6.422 -4.335 3.918 668 HG23 VAL 89 3HG2 VAL 89 5.020 -3.695 3.029 669 H PHE 90 H PHE 90 6.026 -2.386 8.130 670 HA PHE 90 HA PHE 90 3.783 -0.803 8.869 671 HB2 PHE 90 1HB PHE 90 6.009 -2.335 10.332 672 HB3 PHE 90 2HB PHE 90 4.702 -1.557 11.203 673 HD1 PHE 90 1HD PHE 90 2.438 -2.194 9.327 674 HD2 PHE 90 2HD PHE 90 5.610 -4.596 10.801 675 HE1 PHE 90 1HE PHE 90 1.021 -4.245 9.034 676 HE2 PHE 90 2HE PHE 90 4.193 -6.647 10.508 677 HZ PHE 90 HZ PHE 90 1.915 -6.447 9.628 678 H ASP 91 H ASP 91 7.224 -0.733 10.057 679 HA ASP 91 HA ASP 91 7.171 1.527 11.418 680 HB2 ASP 91 1HB ASP 91 9.147 -0.107 10.541 681 HB3 ASP 91 2HB ASP 91 9.457 1.251 9.477 682 H LEU 92 H LEU 92 6.987 1.130 7.887 683 HA LEU 92 HA LEU 92 7.717 3.677 7.071 684 HB2 LEU 92 1HB LEU 92 6.344 1.345 5.974 685 HB3 LEU 92 2HB LEU 92 5.756 2.853 5.303 686 HG LEU 92 HG LEU 92 8.708 2.567 5.426 687 HD11 LEU 92 1HD1 LEU 92 9.002 0.910 3.890 688 HD12 LEU 92 2HD1 LEU 92 7.547 0.290 4.706 689 HD13 LEU 92 3HD1 LEU 92 7.400 1.146 3.152 690 HD21 LEU 92 1HD2 LEU 92 8.627 4.178 3.895 691 HD22 LEU 92 2HD2 LEU 92 7.509 3.248 2.868 692 HD23 LEU 92 3HD2 LEU 92 6.873 4.258 4.188 693 H LEU 93 H LEU 93 4.323 2.413 7.425 694 HA LEU 93 HA LEU 93 3.065 4.826 7.205 695 HB2 LEU 93 1HB LEU 93 2.323 2.395 8.834 696 HB3 LEU 93 2HB LEU 93 1.241 3.741 8.532 697 HG LEU 93 HG LEU 93 2.434 1.894 6.446 698 HD11 LEU 93 1HD1 LEU 93 -0.307 2.119 7.687 699 HD12 LEU 93 2HD1 LEU 93 -0.041 1.351 6.103 700 HD13 LEU 93 3HD1 LEU 93 0.751 0.694 7.555 701 HD21 LEU 93 1HD2 LEU 93 1.187 4.542 6.211 702 HD22 LEU 93 2HD2 LEU 93 2.179 3.625 5.052 703 HD23 LEU 93 3HD2 LEU 93 0.436 3.292 5.191 704 H SER 94 H SER 94 4.451 3.272 10.158 705 HA SER 94 HA SER 94 3.579 4.869 12.077 706 HB2 SER 94 1HB SER 94 5.592 3.027 11.863 707 HB3 SER 94 2HB SER 94 6.542 4.478 12.118 708 HG SER 94 HG SER 94 4.324 4.237 13.835 709 H ASP 95 H ASP 95 6.497 5.594 10.019 710 HA ASP 95 HA ASP 95 6.921 8.098 11.111 711 HB2 ASP 95 1HB ASP 95 8.111 6.450 9.166 712 HB3 ASP 95 2HB ASP 95 7.627 7.865 8.253 713 H MET 96 H MET 96 4.995 6.891 8.308 714 HA MET 96 HA MET 96 4.329 9.507 7.433 715 HB2 MET 96 1HB MET 96 3.015 6.811 6.781 716 HB3 MET 96 2HB MET 96 2.880 8.274 5.825 717 HG2 MET 96 1HG MET 96 5.578 8.096 5.845 718 HG3 MET 96 2HG MET 96 5.224 6.400 6.111 719 HE1 MET 96 1HE MET 96 2.555 5.898 3.217 720 HE2 MET 96 2HE MET 96 3.748 4.857 4.030 721 HE3 MET 96 3HE MET 96 2.677 5.903 4.993 722 H HIS 97 H HIS 97 1.750 9.823 6.982 723 HA HIS 97 HA HIS 97 -0.049 8.812 8.822 724 HB2 HIS 97 1HB HIS 97 -0.215 11.162 10.086 725 HB3 HIS 97 2HB HIS 97 0.709 9.805 10.701 726 HD1 HIS 97 1HD HIS 97 1.398 12.789 8.372 727 HD2 HIS 97 2HD HIS 97 3.234 10.540 11.399 728 HE1 HIS 97 1HE HIS 97 3.674 13.867 8.783 729 H GLY 98 H GLY 98 -2.026 10.547 9.003 730 HA2 GLY 98 1HA GLY 98 -3.481 11.905 7.926 731 HA3 GLY 98 2HA GLY 98 -2.217 12.375 6.807 732 H THR 99 H THR 99 -4.084 12.219 5.215 733 HA THR 99 HA THR 99 -5.207 9.696 4.616 734 HB THR 99 HB THR 99 -4.889 12.181 2.854 735 HG1 THR 99 1HG THR 99 -6.665 12.916 4.089 736 HG21 THR 99 1HG2 THR 99 -6.700 11.376 1.619 737 HG22 THR 99 2HG2 THR 99 -5.987 9.814 2.091 738 HG23 THR 99 3HG2 THR 99 -7.367 10.475 3.002 739 H LEU 100 H LEU 100 -3.789 8.027 4.320 740 HA LEU 100 HA LEU 100 -1.661 8.462 2.367 741 HB2 LEU 100 1HB LEU 100 -2.019 5.985 4.016 742 HB3 LEU 100 2HB LEU 100 -0.561 6.637 3.296 743 HG LEU 100 HG LEU 100 -1.441 8.607 5.111 744 HD11 LEU 100 1HD1 LEU 100 -1.769 5.815 6.214 745 HD12 LEU 100 2HD1 LEU 100 -1.423 7.223 7.246 746 HD13 LEU 100 3HD1 LEU 100 -2.911 7.179 6.271 747 HD21 LEU 100 1HD2 LEU 100 0.614 7.572 6.422 748 HD22 LEU 100 2HD2 LEU 100 0.830 6.679 4.898 749 HD23 LEU 100 3HD2 LEU 100 0.827 8.459 4.894 750 H THR 101 H THR 101 -1.649 7.494 0.369 751 HA THR 101 HA THR 101 -4.120 6.148 -0.378 752 HB THR 101 HB THR 101 -1.735 7.084 -2.057 753 HG1 THR 101 1HG THR 101 -2.984 9.026 -2.149 754 HG21 THR 101 1HG2 THR 101 -4.646 6.374 -2.677 755 HG22 THR 101 2HG2 THR 101 -3.622 7.319 -3.785 756 HG23 THR 101 3HG2 THR 101 -3.186 5.640 -3.383 757 H PHE 102 H PHE 102 -4.299 4.017 -0.129 758 HA PHE 102 HA PHE 102 -1.854 2.443 -0.185 759 HB2 PHE 102 1HB PHE 102 -4.800 1.971 0.553 760 HB3 PHE 102 2HB PHE 102 -3.627 0.669 0.567 761 HD1 PHE 102 2HD PHE 102 -4.299 4.013 2.049 762 HD2 PHE 102 1HD PHE 102 -2.337 0.273 2.470 763 HE1 PHE 102 2HE PHE 102 -3.657 4.614 4.400 764 HE2 PHE 102 1HE PHE 102 -1.695 0.875 4.821 765 HZ PHE 102 HZ PHE 102 -2.363 3.038 5.758 766 H VAL 103 H VAL 103 -1.233 1.359 -1.990 767 HA VAL 103 HA VAL 103 -3.301 0.900 -4.022 768 HB VAL 103 HB VAL 103 -0.306 0.966 -4.395 769 HG11 VAL 103 1HG1 VAL 103 -2.210 1.667 -6.570 770 HG12 VAL 103 2HG1 VAL 103 -0.681 0.759 -6.628 771 HG13 VAL 103 3HG1 VAL 103 -2.170 -0.040 -6.066 772 HG21 VAL 103 1HG2 VAL 103 -2.178 3.178 -3.971 773 HG22 VAL 103 2HG2 VAL 103 -0.398 3.169 -3.987 774 HG23 VAL 103 3HG2 VAL 103 -1.301 3.299 -5.515 775 H LEU 104 H LEU 104 -4.145 -1.086 -3.376 776 HA LEU 104 HA LEU 104 -2.243 -3.294 -3.581 777 HB2 LEU 104 1HB LEU 104 -3.748 -4.326 -1.683 778 HB3 LEU 104 2HB LEU 104 -2.311 -3.385 -1.335 779 HG LEU 104 HG LEU 104 -4.232 -1.429 -1.379 780 HD11 LEU 104 1HD1 LEU 104 -5.576 -3.630 0.157 781 HD12 LEU 104 2HD1 LEU 104 -6.241 -2.099 -0.460 782 HD13 LEU 104 3HD1 LEU 104 -5.888 -3.433 -1.585 783 HD21 LEU 104 1HD2 LEU 104 -3.539 -3.006 1.104 784 HD22 LEU 104 2HD2 LEU 104 -2.390 -1.918 0.289 785 HD23 LEU 104 3HD2 LEU 104 -3.907 -1.270 0.958 786 H ILE 105 H ILE 105 -3.325 -5.371 -4.122 787 HA ILE 105 HA ILE 105 -5.721 -4.806 -5.709 788 HB ILE 105 HB ILE 105 -3.758 -7.090 -5.935 789 HG12 ILE 105 1HG1 ILE 105 -3.785 -5.125 -8.100 790 HG13 ILE 105 2HG1 ILE 105 -3.297 -4.419 -6.572 791 HG21 ILE 105 1HG2 ILE 105 -6.185 -7.360 -6.751 792 HG22 ILE 105 2HG2 ILE 105 -5.739 -6.197 -8.022 793 HG23 ILE 105 3HG2 ILE 105 -4.865 -7.741 -7.882 794 HD11 ILE 105 1HD1 ILE 105 -1.474 -5.938 -6.307 795 HD12 ILE 105 2HD1 ILE 105 -2.123 -7.055 -7.531 796 HD13 ILE 105 3HD1 ILE 105 -1.440 -5.488 -8.029 797 HA PRO 106 HA PRO 106 -7.903 -7.181 -2.801 798 HB2 PRO 106 1HB PRO 106 -10.350 -7.125 -4.017 799 HB3 PRO 106 2HB PRO 106 -9.761 -5.833 -2.990 800 HG2 PRO 106 1HG PRO 106 -9.979 -5.905 -5.937 801 HG3 PRO 106 2HG PRO 106 -9.806 -4.516 -4.883 802 HD2 PRO 106 1HD PRO 106 -7.757 -5.714 -6.494 803 HD3 PRO 106 2HD PRO 106 -7.558 -4.399 -5.353 804 H SER 107 H SER 107 -7.585 -9.276 -2.445 805 HA SER 107 HA SER 107 -7.569 -10.934 -4.774 806 HB2 SER 107 1HB SER 107 -5.855 -11.217 -3.015 807 HB3 SER 107 2HB SER 107 -7.095 -11.563 -1.827 808 HG SER 107 HG SER 107 -7.237 -13.190 -4.112 809 H SER 108 H SER 108 -9.883 -10.713 -5.338 810 HA SER 108 HA SER 108 -11.787 -11.640 -3.439 811 HB2 SER 108 1HB SER 108 -11.815 -10.493 -6.194 812 HB3 SER 108 2HB SER 108 -13.143 -11.576 -5.826 813 HG SER 108 HG SER 108 -13.894 -9.621 -5.123 814 H GLY 109 H GLY 109 -10.101 -13.700 -3.465 815 HA2 GLY 109 1HA GLY 109 -10.957 -16.004 -3.631 816 HA3 GLY 109 2HA GLY 109 -11.287 -15.679 -5.320 817 HA PRO 110 HA PRO 110 -6.603 -16.176 -4.573 818 HB2 PRO 110 1HB PRO 110 -5.918 -17.893 -2.560 819 HB3 PRO 110 2HB PRO 110 -5.909 -16.151 -2.378 820 HG2 PRO 110 1HG PRO 110 -7.863 -18.112 -1.341 821 HG3 PRO 110 2HG PRO 110 -7.593 -16.457 -0.831 822 HD2 PRO 110 1HD PRO 110 -9.741 -17.419 -2.470 823 HD3 PRO 110 2HD PRO 110 -9.405 -15.750 -2.056 824 H SER 111 H SER 111 -6.331 -17.151 -6.490 825 HA SER 111 HA SER 111 -7.536 -19.370 -7.300 826 HB2 SER 111 1HB SER 111 -5.594 -17.778 -8.329 827 HB3 SER 111 2HB SER 111 -4.621 -19.196 -7.990 828 HG SER 111 HG SER 111 -5.365 -19.728 -9.964 829 H SER 112 H SER 112 -7.469 -21.579 -6.898 830 HA SER 112 HA SER 112 -5.670 -22.385 -4.793 831 HB2 SER 112 1HB SER 112 -8.198 -23.512 -6.007 832 HB3 SER 112 2HB SER 112 -7.139 -24.583 -5.112 833 HG SER 112 HG SER 112 -7.647 -23.610 -3.240 834 H GLY 113 H GLY 113 -4.096 -24.042 -5.027 835 HA2 GLY 113 1HA GLY 113 -3.908 -25.626 -7.398 836 HA3 GLY 113 2HA GLY 113 -2.765 -24.298 -7.414 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -2.145 31.581 -32.415 2 HA2 GLY 1 1HA GLY 1 -0.693 32.514 -30.304 3 HA3 GLY 1 2HA GLY 1 -1.957 33.415 -31.118 4 H SER 2 H SER 2 -1.517 30.823 -28.611 5 HA SER 2 HA SER 2 -3.752 32.069 -27.209 6 HB2 SER 2 1HB SER 2 -3.551 29.406 -28.155 7 HB3 SER 2 2HB SER 2 -3.275 29.290 -26.429 8 HG SER 2 HG SER 2 -5.476 30.823 -27.487 9 H SER 3 H SER 3 -3.640 31.703 -24.751 10 HA SER 3 HA SER 3 -0.885 32.087 -23.973 11 HB2 SER 3 1HB SER 3 -3.472 32.485 -22.404 12 HB3 SER 3 2HB SER 3 -1.871 32.905 -21.827 13 HG SER 3 HG SER 3 -1.888 34.703 -23.003 14 H GLY 4 H GLY 4 -0.152 31.049 -21.846 15 HA2 GLY 4 1HA GLY 4 -1.036 28.249 -21.822 16 HA3 GLY 4 2HA GLY 4 0.476 28.886 -21.206 17 H SER 5 H SER 5 -1.082 27.163 -19.629 18 HA SER 5 HA SER 5 -2.064 29.044 -17.627 19 HB2 SER 5 1HB SER 5 -3.821 27.545 -17.016 20 HB3 SER 5 2HB SER 5 -3.861 27.626 -18.766 21 HG SER 5 HG SER 5 -3.565 25.516 -18.810 22 H SER 6 H SER 6 -1.077 28.874 -15.625 23 HA SER 6 HA SER 6 0.779 26.658 -15.351 24 HB2 SER 6 1HB SER 6 1.931 28.058 -13.690 25 HB3 SER 6 2HB SER 6 1.726 28.942 -15.189 26 HG SER 6 HG SER 6 -0.445 29.309 -13.498 27 H GLY 7 H GLY 7 -1.151 25.243 -14.811 28 HA2 GLY 7 1HA GLY 7 -2.332 25.778 -12.180 29 HA3 GLY 7 2HA GLY 7 -2.875 24.611 -13.369 30 HA PRO 8 HA PRO 8 -0.543 22.179 -10.394 31 HB2 PRO 8 1HB PRO 8 -2.312 20.104 -10.207 32 HB3 PRO 8 2HB PRO 8 -2.335 21.483 -9.127 33 HG2 PRO 8 1HG PRO 8 -4.159 20.854 -11.366 34 HG3 PRO 8 2HG PRO 8 -4.400 21.965 -10.033 35 HD2 PRO 8 1HD PRO 8 -3.722 22.648 -12.735 36 HD3 PRO 8 2HD PRO 8 -3.850 23.748 -11.377 37 H ILE 9 H ILE 9 1.164 21.907 -11.847 38 HA ILE 9 HA ILE 9 0.695 19.848 -13.845 39 HB ILE 9 HB ILE 9 3.084 21.631 -13.355 40 HG12 ILE 9 1HG1 ILE 9 1.026 21.923 -15.548 41 HG13 ILE 9 2HG1 ILE 9 0.852 22.729 -14.002 42 HG21 ILE 9 1HG2 ILE 9 3.765 19.624 -14.491 43 HG22 ILE 9 2HG2 ILE 9 2.408 19.755 -15.635 44 HG23 ILE 9 3HG2 ILE 9 3.717 20.961 -15.665 45 HD11 ILE 9 1HD1 ILE 9 2.043 24.380 -15.083 46 HD12 ILE 9 2HD1 ILE 9 3.430 23.408 -14.535 47 HD13 ILE 9 3HD1 ILE 9 2.821 23.232 -16.198 48 H THR 10 H THR 10 1.666 17.823 -13.832 49 HA THR 10 HA THR 10 2.546 16.915 -11.256 50 HB THR 10 HB THR 10 2.870 14.800 -12.957 51 HG1 THR 10 1HG THR 10 2.282 15.717 -14.908 52 HG21 THR 10 1HG2 THR 10 0.108 14.874 -12.881 53 HG22 THR 10 2HG2 THR 10 1.118 14.301 -11.533 54 HG23 THR 10 3HG2 THR 10 0.516 15.976 -11.544 55 H ASP 11 H ASP 11 4.486 15.012 -11.851 56 HA ASP 11 HA ASP 11 6.737 16.711 -11.866 57 HB2 ASP 11 1HB ASP 11 6.831 13.690 -12.159 58 HB3 ASP 11 2HB ASP 11 7.992 14.732 -11.363 59 H GLU 12 H GLU 12 8.298 14.352 -13.278 60 HA GLU 12 HA GLU 12 7.390 14.705 -15.988 61 HB2 GLU 12 1HB GLU 12 8.839 16.548 -16.034 62 HB3 GLU 12 2HB GLU 12 9.963 15.835 -14.893 63 HG2 GLU 12 1HG GLU 12 10.973 14.462 -16.526 64 HG3 GLU 12 2HG GLU 12 9.565 14.483 -17.569 65 H ARG 13 H ARG 13 7.054 12.518 -16.336 66 HA ARG 13 HA ARG 13 7.442 10.394 -16.507 67 HB2 ARG 13 1HB ARG 13 10.337 10.341 -16.855 68 HB3 ARG 13 2HB ARG 13 9.087 10.061 -18.051 69 HG2 ARG 13 1HG ARG 13 8.812 12.666 -18.086 70 HG3 ARG 13 2HG ARG 13 10.352 12.708 -17.250 71 HD2 ARG 13 1HD ARG 13 10.112 11.035 -19.761 72 HD3 ARG 13 2HD ARG 13 10.246 12.775 -19.920 73 HE ARG 13 HE ARG 13 12.467 12.682 -19.110 74 HH11 ARG 13 2HH2 ARG 13 10.895 9.554 -18.753 75 HH12 ARG 13 1HH2 ARG 13 12.365 8.714 -18.382 76 HH21 ARG 13 2HH1 ARG 13 14.406 11.575 -18.622 77 HH22 ARG 13 1HH1 ARG 13 14.375 9.872 -18.307 78 H VAL 14 H VAL 14 7.907 11.760 -13.799 79 HA VAL 14 HA VAL 14 9.380 9.531 -12.592 80 HB VAL 14 HB VAL 14 9.599 12.472 -11.927 81 HG11 VAL 14 1HG1 VAL 14 9.884 11.755 -9.810 82 HG12 VAL 14 2HG1 VAL 14 10.112 10.061 -10.309 83 HG13 VAL 14 3HG1 VAL 14 11.477 11.202 -10.382 84 HG21 VAL 14 1HG2 VAL 14 11.452 12.496 -13.168 85 HG22 VAL 14 2HG2 VAL 14 12.099 11.075 -12.313 86 HG23 VAL 14 3HG2 VAL 14 11.046 10.857 -13.732 87 H TYR 15 H TYR 15 6.440 10.435 -13.170 88 HA TYR 15 HA TYR 15 5.120 11.254 -10.959 89 HB2 TYR 15 1HB TYR 15 4.580 8.988 -12.974 90 HB3 TYR 15 2HB TYR 15 3.333 9.590 -11.899 91 HD1 TYR 15 1HD TYR 15 5.474 10.427 -14.794 92 HD2 TYR 15 2HD TYR 15 2.233 11.703 -12.310 93 HE1 TYR 15 1HE TYR 15 4.885 12.238 -16.479 94 HE2 TYR 15 2HE TYR 15 1.655 13.510 -14.003 95 HH TYR 15 HH TYR 15 3.686 14.017 -16.859 96 H GLU 16 H GLU 16 4.069 10.232 -9.153 97 HA GLU 16 HA GLU 16 5.671 8.101 -8.110 98 HB2 GLU 16 1HB GLU 16 3.260 9.285 -6.713 99 HB3 GLU 16 2HB GLU 16 4.722 8.630 -6.004 100 HG2 GLU 16 1HG GLU 16 5.322 10.836 -5.812 101 HG3 GLU 16 2HG GLU 16 5.814 10.651 -7.484 102 H SER 17 H SER 17 3.193 7.256 -6.419 103 HA SER 17 HA SER 17 2.622 4.981 -7.846 104 HB2 SER 17 1HB SER 17 0.618 4.850 -6.193 105 HB3 SER 17 2HB SER 17 2.238 4.869 -5.524 106 HG SER 17 HG SER 17 2.003 7.002 -4.883 107 H ILE 18 H ILE 18 1.511 4.802 -9.755 108 HA ILE 18 HA ILE 18 -0.608 6.765 -10.250 109 HB ILE 18 HB ILE 18 1.067 5.087 -12.116 110 HG12 ILE 18 1HG1 ILE 18 1.154 7.860 -12.712 111 HG13 ILE 18 2HG1 ILE 18 1.380 7.714 -10.981 112 HG21 ILE 18 1HG2 ILE 18 -0.260 6.778 -13.754 113 HG22 ILE 18 2HG2 ILE 18 -0.775 5.109 -13.414 114 HG23 ILE 18 3HG2 ILE 18 -1.517 6.466 -12.534 115 HD11 ILE 18 1HD1 ILE 18 3.567 7.535 -11.976 116 HD12 ILE 18 2HD1 ILE 18 3.118 5.893 -11.459 117 HD13 ILE 18 3HD1 ILE 18 2.995 6.350 -13.175 118 H GLY 19 H GLY 19 -2.708 6.102 -10.774 119 HA2 GLY 19 1HA GLY 19 -3.350 3.393 -9.909 120 HA3 GLY 19 2HA GLY 19 -4.459 4.722 -10.182 121 H HIS 20 H HIS 20 -2.382 2.279 -11.814 122 HA HIS 20 HA HIS 20 -4.337 1.756 -13.740 123 HB2 HIS 20 1HB HIS 20 -3.927 3.657 -14.956 124 HB3 HIS 20 2HB HIS 20 -2.247 3.757 -14.467 125 HD1 HIS 20 1HD HIS 20 -4.512 2.032 -16.959 126 HD2 HIS 20 2HD HIS 20 -0.419 2.424 -16.129 127 HE1 HIS 20 1HE HIS 20 -3.279 1.065 -18.973 128 H TYR 21 H TYR 21 -0.766 1.865 -13.126 129 HA TYR 21 HA TYR 21 0.810 0.323 -13.576 130 HB2 TYR 21 1HB TYR 21 -1.470 -0.948 -11.982 131 HB3 TYR 21 2HB TYR 21 -0.071 -1.933 -12.366 132 HD1 TYR 21 2HD TYR 21 -0.527 1.613 -11.194 133 HD2 TYR 21 1HD TYR 21 1.327 -2.187 -10.541 134 HE1 TYR 21 2HE TYR 21 0.694 2.549 -9.170 135 HE2 TYR 21 1HE TYR 21 2.542 -1.238 -8.519 136 HH TYR 21 HH TYR 21 1.692 1.761 -7.150 137 H GLY 22 H GLY 22 0.546 0.282 -15.940 138 HA2 GLY 22 1HA GLY 22 -1.110 -1.088 -17.509 139 HA3 GLY 22 2HA GLY 22 0.619 -1.042 -17.789 140 H GLY 23 H GLY 23 -1.511 -3.210 -18.210 141 HA2 GLY 23 1HA GLY 23 -1.203 -5.483 -18.324 142 HA3 GLY 23 2HA GLY 23 0.094 -5.389 -17.149 143 H GLU 24 H GLU 24 -0.728 -4.504 -14.848 144 HA GLU 24 HA GLU 24 -3.002 -6.199 -14.232 145 HB2 GLU 24 1HB GLU 24 -0.468 -5.814 -13.008 146 HB3 GLU 24 2HB GLU 24 -1.627 -5.101 -11.904 147 HG2 GLU 24 1HG GLU 24 -2.650 -7.125 -11.436 148 HG3 GLU 24 2HG GLU 24 -2.419 -7.744 -13.059 149 H THR 25 H THR 25 -3.995 -5.173 -11.895 150 HA THR 25 HA THR 25 -4.566 -2.347 -12.429 151 HB THR 25 HB THR 25 -7.032 -3.225 -11.717 152 HG1 THR 25 1HG THR 25 -7.242 -5.383 -12.596 153 HG21 THR 25 1HG2 THR 25 -6.098 -2.207 -14.025 154 HG22 THR 25 2HG2 THR 25 -6.222 -3.903 -14.552 155 HG23 THR 25 3HG2 THR 25 -7.669 -3.043 -13.974 156 H VAL 26 H VAL 26 -4.180 -1.148 -10.684 157 HA VAL 26 HA VAL 26 -4.154 -2.551 -8.112 158 HB VAL 26 HB VAL 26 -2.843 -0.518 -7.403 159 HG11 VAL 26 1HG1 VAL 26 -1.359 -2.207 -7.642 160 HG12 VAL 26 2HG1 VAL 26 -1.985 -2.673 -9.241 161 HG13 VAL 26 3HG1 VAL 26 -0.856 -1.306 -9.092 162 HG21 VAL 26 1HG2 VAL 26 -2.429 1.201 -8.778 163 HG22 VAL 26 2HG2 VAL 26 -1.992 0.125 -10.127 164 HG23 VAL 26 3HG2 VAL 26 -3.699 0.530 -9.828 165 H LYS 27 H LYS 27 -5.409 -1.835 -6.375 166 HA LYS 27 HA LYS 27 -7.441 0.140 -7.131 167 HB2 LYS 27 1HB LYS 27 -7.990 -2.337 -6.501 168 HB3 LYS 27 2HB LYS 27 -7.714 -1.809 -4.853 169 HG2 LYS 27 1HG LYS 27 -9.318 0.237 -5.801 170 HG3 LYS 27 2HG LYS 27 -9.938 -1.124 -6.714 171 HD2 LYS 27 1HD LYS 27 -10.464 -2.365 -4.711 172 HD3 LYS 27 2HD LYS 27 -9.519 -1.289 -3.703 173 HE2 LYS 27 1HE LYS 27 -11.236 0.202 -3.492 174 HE3 LYS 27 2HE LYS 27 -11.584 0.175 -5.209 175 HZ1 LYS 27 1HZ LYS 27 -13.042 -1.517 -4.955 176 HZ2 LYS 27 2HZ LYS 27 -12.302 -2.161 -3.650 177 HZ3 LYS 27 3HZ LYS 27 -13.226 -0.824 -3.488 178 H ILE 28 H ILE 28 -7.010 2.144 -6.387 179 HA ILE 28 HA ILE 28 -5.302 2.438 -4.081 180 HB ILE 28 HB ILE 28 -6.552 4.352 -6.041 181 HG12 ILE 28 1HG1 ILE 28 -3.895 4.759 -6.187 182 HG13 ILE 28 2HG1 ILE 28 -3.883 3.082 -5.676 183 HG21 ILE 28 1HG2 ILE 28 -5.369 4.885 -3.377 184 HG22 ILE 28 2HG2 ILE 28 -4.799 5.911 -4.715 185 HG23 ILE 28 3HG2 ILE 28 -6.536 5.828 -4.334 186 HD11 ILE 28 1HD1 ILE 28 -5.912 3.468 -7.734 187 HD12 ILE 28 2HD1 ILE 28 -4.333 4.067 -8.296 188 HD13 ILE 28 3HD1 ILE 28 -4.500 2.384 -7.740 189 H VAL 29 H VAL 29 -5.902 3.233 -2.055 190 HA VAL 29 HA VAL 29 -8.733 3.830 -1.680 191 HB VAL 29 HB VAL 29 -8.200 2.366 0.546 192 HG11 VAL 29 1HG1 VAL 29 -10.258 2.137 -0.593 193 HG12 VAL 29 2HG1 VAL 29 -9.467 1.579 -2.087 194 HG13 VAL 29 3HG1 VAL 29 -9.510 0.523 -0.655 195 HG21 VAL 29 1HG2 VAL 29 -7.151 0.531 -1.570 196 HG22 VAL 29 2HG2 VAL 29 -6.024 1.697 -0.837 197 HG23 VAL 29 3HG2 VAL 29 -6.884 0.524 0.190 198 H ARG 30 H ARG 30 -8.834 5.788 -0.720 199 HA ARG 30 HA ARG 30 -6.484 6.783 0.539 200 HB2 ARG 30 1HB ARG 30 -9.083 7.869 -0.432 201 HB3 ARG 30 2HB ARG 30 -8.471 8.677 0.997 202 HG2 ARG 30 1HG ARG 30 -6.681 9.602 -0.119 203 HG3 ARG 30 2HG ARG 30 -6.413 8.172 -1.096 204 HD2 ARG 30 1HD ARG 30 -8.821 9.976 -1.567 205 HD3 ARG 30 2HD ARG 30 -7.269 10.321 -2.302 206 HE ARG 30 HE ARG 30 -7.675 7.655 -2.929 207 HH11 ARG 30 2HH2 ARG 30 -9.587 10.578 -3.359 208 HH12 ARG 30 1HH2 ARG 30 -10.380 10.002 -4.787 209 HH21 ARG 30 2HH1 ARG 30 -8.721 6.895 -4.813 210 HH22 ARG 30 1HH1 ARG 30 -9.884 7.893 -5.620 211 H ILE 31 H ILE 31 -6.092 5.933 2.589 212 HA ILE 31 HA ILE 31 -8.380 5.680 4.389 213 HB ILE 31 HB ILE 31 -5.600 4.515 4.410 214 HG12 ILE 31 1HG1 ILE 31 -8.358 3.286 4.139 215 HG13 ILE 31 2HG1 ILE 31 -7.147 3.427 2.880 216 HG21 ILE 31 1HG2 ILE 31 -6.091 5.065 6.691 217 HG22 ILE 31 2HG2 ILE 31 -7.734 4.392 6.555 218 HG23 ILE 31 3HG2 ILE 31 -6.320 3.313 6.474 219 HD11 ILE 31 1HD1 ILE 31 -7.004 1.176 3.747 220 HD12 ILE 31 2HD1 ILE 31 -5.577 2.050 4.354 221 HD13 ILE 31 3HD1 ILE 31 -6.967 1.762 5.427 222 H GLU 32 H GLU 32 -8.613 6.938 6.204 223 HA GLU 32 HA GLU 32 -6.719 9.114 6.389 224 HB2 GLU 32 1HB GLU 32 -9.480 8.698 7.614 225 HB3 GLU 32 2HB GLU 32 -8.488 10.110 7.917 226 HG2 GLU 32 1HG GLU 32 -8.372 10.268 5.271 227 HG3 GLU 32 2HG GLU 32 -9.787 9.236 5.322 228 H LYS 33 H LYS 33 -5.018 8.855 7.767 229 HA LYS 33 HA LYS 33 -5.551 7.361 10.241 230 HB2 LYS 33 1HB LYS 33 -3.828 6.602 8.266 231 HB3 LYS 33 2HB LYS 33 -2.758 7.546 9.282 232 HG2 LYS 33 1HG LYS 33 -3.273 6.196 11.236 233 HG3 LYS 33 2HG LYS 33 -4.603 5.401 10.418 234 HD2 LYS 33 1HD LYS 33 -3.221 3.854 9.491 235 HD3 LYS 33 2HD LYS 33 -2.151 5.091 8.862 236 HE2 LYS 33 1HE LYS 33 -0.834 5.148 10.851 237 HE3 LYS 33 2HE LYS 33 -2.086 4.391 11.816 238 HZ1 LYS 33 1HZ LYS 33 -0.558 3.082 9.674 239 HZ2 LYS 33 2HZ LYS 33 -0.369 2.835 11.277 240 HZ3 LYS 33 3HZ LYS 33 -1.749 2.373 10.537 241 H ALA 34 H ALA 34 -4.732 8.218 12.197 242 HA ALA 34 HA ALA 34 -4.252 11.081 12.037 243 HB1 ALA 34 1HB ALA 34 -4.525 9.450 14.567 244 HB2 ALA 34 2HB ALA 34 -4.970 11.147 14.270 245 HB3 ALA 34 3HB ALA 34 -5.954 9.835 13.579 246 H ARG 35 H ARG 35 -2.598 11.902 13.806 247 HA ARG 35 HA ARG 35 -0.150 10.609 13.111 248 HB2 ARG 35 1HB ARG 35 -0.515 13.020 14.950 249 HB3 ARG 35 2HB ARG 35 0.927 12.580 14.057 250 HG2 ARG 35 1HG ARG 35 -0.634 12.802 11.927 251 HG3 ARG 35 2HG ARG 35 -1.675 13.721 12.996 252 HD2 ARG 35 1HD ARG 35 1.281 14.390 12.843 253 HD3 ARG 35 2HD ARG 35 0.194 14.971 11.597 254 HE ARG 35 HE ARG 35 -0.793 15.495 14.303 255 HH11 ARG 35 2HH2 ARG 35 1.261 16.696 11.710 256 HH12 ARG 35 1HH2 ARG 35 1.179 18.345 12.237 257 HH21 ARG 35 2HH1 ARG 35 -0.902 17.669 14.997 258 HH22 ARG 35 1HH1 ARG 35 -0.060 18.901 14.118 259 H ASP 36 H ASP 36 -2.126 9.265 14.963 260 HA ASP 36 HA ASP 36 -0.260 8.360 16.829 261 HB2 ASP 36 1HB ASP 36 -1.437 10.692 17.693 262 HB3 ASP 36 2HB ASP 36 -2.590 9.522 18.303 263 H ILE 37 H ILE 37 -2.107 7.391 14.752 264 HA ILE 37 HA ILE 37 -4.004 5.874 16.406 265 HB ILE 37 HB ILE 37 -4.224 7.130 13.718 266 HG12 ILE 37 1HG1 ILE 37 -5.276 7.783 16.085 267 HG13 ILE 37 2HG1 ILE 37 -6.089 8.096 14.564 268 HG21 ILE 37 1HG2 ILE 37 -6.241 5.548 13.354 269 HG22 ILE 37 2HG2 ILE 37 -4.607 4.978 12.937 270 HG23 ILE 37 3HG2 ILE 37 -5.374 4.451 14.454 271 HD11 ILE 37 1HD1 ILE 37 -7.494 6.950 16.388 272 HD12 ILE 37 2HD1 ILE 37 -7.503 6.166 14.790 273 HD13 ILE 37 3HD1 ILE 37 -6.501 5.500 16.102 274 HA PRO 38 HA PRO 38 -1.573 2.478 15.228 275 HB2 PRO 38 1HB PRO 38 -3.065 0.503 16.386 276 HB3 PRO 38 2HB PRO 38 -1.889 1.458 17.267 277 HG2 PRO 38 1HG PRO 38 -4.840 1.636 17.324 278 HG3 PRO 38 2HG PRO 38 -3.680 2.262 18.479 279 HD2 PRO 38 1HD PRO 38 -5.113 3.765 16.500 280 HD3 PRO 38 2HD PRO 38 -3.869 4.368 17.577 281 H LEU 39 H LEU 39 -1.316 1.063 13.549 282 HA LEU 39 HA LEU 39 -3.166 1.301 11.497 283 HB2 LEU 39 1HB LEU 39 -0.785 0.731 11.254 284 HB3 LEU 39 2HB LEU 39 -1.088 -0.843 11.964 285 HG LEU 39 HG LEU 39 -2.281 -1.610 10.094 286 HD11 LEU 39 1HD1 LEU 39 -2.444 1.245 9.087 287 HD12 LEU 39 2HD1 LEU 39 -3.074 -0.201 8.260 288 HD13 LEU 39 3HD1 LEU 39 -3.771 0.308 9.817 289 HD21 LEU 39 1HD2 LEU 39 -0.758 -1.400 8.273 290 HD22 LEU 39 2HD2 LEU 39 -0.160 0.168 8.868 291 HD23 LEU 39 3HD2 LEU 39 0.194 -1.323 9.775 292 H GLY 40 H GLY 40 -2.570 -1.496 13.741 293 HA2 GLY 40 1HA GLY 40 -3.970 -3.083 14.502 294 HA3 GLY 40 2HA GLY 40 -5.315 -2.046 14.073 295 H ALA 41 H ALA 41 -2.750 -3.420 11.919 296 HA ALA 41 HA ALA 41 -4.713 -5.229 10.767 297 HB1 ALA 41 1HB ALA 41 -3.234 -3.112 9.151 298 HB2 ALA 41 2HB ALA 41 -4.292 -4.384 8.494 299 HB3 ALA 41 3HB ALA 41 -4.974 -3.102 9.523 300 H THR 42 H THR 42 -3.744 -7.183 10.588 301 HA THR 42 HA THR 42 -0.834 -7.268 10.703 302 HB THR 42 HB THR 42 -2.653 -9.687 10.655 303 HG1 THR 42 1HG THR 42 -3.153 -9.129 12.896 304 HG21 THR 42 1HG2 THR 42 -1.125 -10.434 12.448 305 HG22 THR 42 2HG2 THR 42 -0.161 -9.912 11.046 306 HG23 THR 42 3HG2 THR 42 -0.326 -8.844 12.461 307 H VAL 43 H VAL 43 0.495 -8.316 9.187 308 HA VAL 43 HA VAL 43 -0.804 -9.074 6.689 309 HB VAL 43 HB VAL 43 0.557 -7.682 5.359 310 HG11 VAL 43 1HG1 VAL 43 -0.086 -5.702 7.511 311 HG12 VAL 43 2HG1 VAL 43 -0.420 -5.643 5.764 312 HG13 VAL 43 3HG1 VAL 43 -1.414 -6.670 6.825 313 HG21 VAL 43 1HG2 VAL 43 2.611 -7.952 6.821 314 HG22 VAL 43 2HG2 VAL 43 2.374 -6.338 6.109 315 HG23 VAL 43 3HG2 VAL 43 1.974 -6.623 7.819 316 H ARG 44 H ARG 44 0.528 -10.494 5.366 317 HA ARG 44 HA ARG 44 2.459 -11.853 7.043 318 HB2 ARG 44 1HB ARG 44 1.257 -12.856 4.421 319 HB3 ARG 44 2HB ARG 44 2.076 -13.812 5.641 320 HG2 ARG 44 1HG ARG 44 0.222 -13.126 7.279 321 HG3 ARG 44 2HG ARG 44 -0.626 -12.420 5.918 322 HD2 ARG 44 1HD ARG 44 -1.499 -14.664 6.221 323 HD3 ARG 44 2HD ARG 44 -0.537 -14.679 4.757 324 HE ARG 44 HE ARG 44 1.291 -15.387 6.716 325 HH11 ARG 44 2HH2 ARG 44 -1.863 -16.621 5.759 326 HH12 ARG 44 1HH2 ARG 44 -1.520 -18.245 6.255 327 HH21 ARG 44 2HH1 ARG 44 1.743 -17.529 7.371 328 HH22 ARG 44 1HH1 ARG 44 0.544 -18.765 7.178 329 H ASN 45 H ASN 45 4.275 -13.024 5.572 330 HA ASN 45 HA ASN 45 5.312 -10.903 3.869 331 HB2 ASN 45 1HB ASN 45 6.488 -12.571 5.957 332 HB3 ASN 45 2HB ASN 45 7.346 -12.847 4.455 333 HD21 ASN 45 1HD2 ASN 45 7.113 -10.412 3.206 334 HD22 ASN 45 2HD2 ASN 45 7.989 -9.194 4.071 335 H GLU 46 H GLU 46 4.565 -11.523 1.786 336 HA GLU 46 HA GLU 46 4.576 -14.284 1.072 337 HB2 GLU 46 1HB GLU 46 3.272 -11.900 0.176 338 HB3 GLU 46 2HB GLU 46 4.178 -12.517 -1.192 339 HG2 GLU 46 1HG GLU 46 2.044 -13.952 0.433 340 HG3 GLU 46 2HG GLU 46 2.029 -13.594 -1.282 341 H MET 47 H MET 47 5.617 -14.956 -1.110 342 HA MET 47 HA MET 47 8.138 -15.204 -1.101 343 HB2 MET 47 1HB MET 47 6.469 -14.257 -3.484 344 HB3 MET 47 2HB MET 47 8.131 -14.772 -3.693 345 HG2 MET 47 1HG MET 47 6.502 -16.672 -2.091 346 HG3 MET 47 2HG MET 47 5.912 -16.456 -3.727 347 HE1 MET 47 1HE MET 47 8.417 -19.689 -3.153 348 HE2 MET 47 2HE MET 47 7.471 -18.829 -1.915 349 HE3 MET 47 3HE MET 47 6.706 -19.301 -3.451 350 H ASP 48 H ASP 48 6.774 -12.163 -2.572 351 HA ASP 48 HA ASP 48 9.014 -10.742 -1.470 352 HB2 ASP 48 1HB ASP 48 8.366 -10.495 -4.437 353 HB3 ASP 48 2HB ASP 48 9.709 -9.761 -3.584 354 H SER 49 H SER 49 5.945 -11.000 -1.320 355 HA SER 49 HA SER 49 5.409 -8.184 -1.817 356 HB2 SER 49 1HB SER 49 3.602 -10.547 -2.475 357 HB3 SER 49 2HB SER 49 3.012 -8.899 -2.385 358 HG SER 49 HG SER 49 4.897 -10.033 -4.244 359 H VAL 50 H VAL 50 3.728 -7.268 -0.356 360 HA VAL 50 HA VAL 50 3.605 -8.806 2.138 361 HB VAL 50 HB VAL 50 3.438 -5.836 1.594 362 HG11 VAL 50 1HG1 VAL 50 2.524 -5.559 3.607 363 HG12 VAL 50 2HG1 VAL 50 2.410 -7.326 3.788 364 HG13 VAL 50 3HG1 VAL 50 3.858 -6.465 4.361 365 HG21 VAL 50 1HG2 VAL 50 5.552 -6.290 3.315 366 HG22 VAL 50 2HG2 VAL 50 5.647 -7.671 2.196 367 HG23 VAL 50 3HG2 VAL 50 5.676 -6.008 1.562 368 H ILE 51 H ILE 51 1.742 -10.015 2.024 369 HA ILE 51 HA ILE 51 -0.662 -8.643 1.084 370 HB ILE 51 HB ILE 51 0.163 -11.512 1.341 371 HG12 ILE 51 1HG1 ILE 51 -0.928 -11.412 -1.033 372 HG13 ILE 51 2HG1 ILE 51 -0.741 -9.677 -0.866 373 HG21 ILE 51 1HG2 ILE 51 -1.975 -11.527 2.405 374 HG22 ILE 51 2HG2 ILE 51 -2.672 -10.467 1.156 375 HG23 ILE 51 3HG2 ILE 51 -2.190 -12.131 0.744 376 HD11 ILE 51 1HD1 ILE 51 1.704 -10.024 -0.346 377 HD12 ILE 51 2HD1 ILE 51 1.479 -11.762 -0.661 378 HD13 ILE 51 3HD1 ILE 51 1.242 -10.582 -1.972 379 H ILE 52 H ILE 52 -2.629 -8.717 2.360 380 HA ILE 52 HA ILE 52 -2.114 -8.215 5.090 381 HB ILE 52 HB ILE 52 -4.735 -8.617 3.644 382 HG12 ILE 52 1HG1 ILE 52 -3.214 -6.880 2.646 383 HG13 ILE 52 2HG1 ILE 52 -4.770 -6.290 3.197 384 HG21 ILE 52 1HG2 ILE 52 -5.838 -7.891 5.478 385 HG22 ILE 52 2HG2 ILE 52 -4.427 -8.581 6.315 386 HG23 ILE 52 3HG2 ILE 52 -4.508 -6.831 6.002 387 HD11 ILE 52 1HD1 ILE 52 -2.701 -6.214 5.310 388 HD12 ILE 52 2HD1 ILE 52 -2.311 -5.208 3.895 389 HD13 ILE 52 3HD1 ILE 52 -3.832 -4.945 4.782 390 H SER 53 H SER 53 -2.705 -9.414 6.956 391 HA SER 53 HA SER 53 -3.132 -12.236 6.351 392 HB2 SER 53 1HB SER 53 -1.591 -12.831 7.954 393 HB3 SER 53 2HB SER 53 -0.931 -11.259 7.551 394 HG SER 53 HG SER 53 -1.102 -11.062 9.715 395 H ARG 54 H ARG 54 -3.785 -9.524 8.656 396 HA ARG 54 HA ARG 54 -6.413 -10.546 9.021 397 HB2 ARG 54 1HB ARG 54 -5.307 -11.858 10.759 398 HB3 ARG 54 2HB ARG 54 -4.419 -10.461 11.334 399 HG2 ARG 54 1HG ARG 54 -6.458 -9.400 12.153 400 HG3 ARG 54 2HG ARG 54 -7.466 -10.601 11.370 401 HD2 ARG 54 1HD ARG 54 -5.717 -12.134 12.968 402 HD3 ARG 54 2HD ARG 54 -6.082 -10.740 13.967 403 HE ARG 54 HE ARG 54 -8.329 -11.434 14.112 404 HH11 ARG 54 2HH2 ARG 54 -6.656 -13.297 11.639 405 HH12 ARG 54 1HH2 ARG 54 -7.946 -14.437 11.444 406 HH21 ARG 54 2HH1 ARG 54 -10.030 -12.938 13.856 407 HH22 ARG 54 1HH1 ARG 54 -9.878 -14.231 12.714 408 H ILE 55 H ILE 55 -7.754 -8.958 10.389 409 HA ILE 55 HA ILE 55 -6.515 -6.295 10.327 410 HB ILE 55 HB ILE 55 -9.316 -7.099 9.538 411 HG12 ILE 55 1HG1 ILE 55 -7.747 -7.574 7.780 412 HG13 ILE 55 2HG1 ILE 55 -8.671 -6.151 7.342 413 HG21 ILE 55 1HG2 ILE 55 -8.395 -4.297 9.209 414 HG22 ILE 55 2HG2 ILE 55 -10.008 -4.947 9.587 415 HG23 ILE 55 3HG2 ILE 55 -8.776 -4.825 10.865 416 HD11 ILE 55 1HD1 ILE 55 -6.628 -5.217 6.923 417 HD12 ILE 55 2HD1 ILE 55 -6.546 -5.005 8.688 418 HD13 ILE 55 3HD1 ILE 55 -5.774 -6.416 7.924 419 H VAL 56 H VAL 56 -6.399 -5.349 12.288 420 HA VAL 56 HA VAL 56 -7.770 -6.611 14.484 421 HB VAL 56 HB VAL 56 -6.020 -4.151 14.487 422 HG11 VAL 56 1HG1 VAL 56 -6.330 -6.209 16.679 423 HG12 VAL 56 2HG1 VAL 56 -5.696 -4.549 16.783 424 HG13 VAL 56 3HG1 VAL 56 -7.436 -4.823 16.528 425 HG21 VAL 56 1HG2 VAL 56 -5.311 -6.851 13.773 426 HG22 VAL 56 2HG2 VAL 56 -4.282 -5.401 13.865 427 HG23 VAL 56 3HG2 VAL 56 -4.526 -6.412 15.309 428 H LYS 57 H LYS 57 -9.515 -5.805 15.630 429 HA LYS 57 HA LYS 57 -11.001 -3.737 14.286 430 HB2 LYS 57 1HB LYS 57 -12.238 -5.654 14.963 431 HB3 LYS 57 2HB LYS 57 -11.588 -5.604 16.590 432 HG2 LYS 57 1HG LYS 57 -13.430 -4.403 17.163 433 HG3 LYS 57 2HG LYS 57 -12.709 -3.057 16.303 434 HD2 LYS 57 1HD LYS 57 -14.830 -3.239 15.284 435 HD3 LYS 57 2HD LYS 57 -13.792 -4.094 14.159 436 HE2 LYS 57 1HE LYS 57 -14.687 -6.169 14.681 437 HE3 LYS 57 2HE LYS 57 -14.949 -5.758 16.364 438 HZ1 LYS 57 1HZ LYS 57 -16.662 -5.293 14.092 439 HZ2 LYS 57 2HZ LYS 57 -17.053 -5.671 15.632 440 HZ3 LYS 57 3HZ LYS 57 -16.663 -4.134 15.242 441 H GLY 58 H GLY 58 -10.587 -1.630 14.657 442 HA2 GLY 58 1HA GLY 58 -10.931 -0.025 16.572 443 HA3 GLY 58 2HA GLY 58 -9.618 -0.887 17.349 444 H GLY 59 H GLY 59 -8.164 -1.398 14.764 445 HA2 GLY 59 1HA GLY 59 -6.554 0.924 14.751 446 HA3 GLY 59 2HA GLY 59 -6.465 -0.433 13.647 447 H ALA 60 H ALA 60 -5.927 1.752 12.332 448 HA ALA 60 HA ALA 60 -8.205 3.250 11.514 449 HB1 ALA 60 1HB ALA 60 -6.537 4.612 10.883 450 HB2 ALA 60 2HB ALA 60 -5.347 3.347 11.272 451 HB3 ALA 60 3HB ALA 60 -6.048 3.436 9.639 452 H ALA 61 H ALA 61 -6.217 0.571 10.106 453 HA ALA 61 HA ALA 61 -7.331 0.385 7.642 454 HB1 ALA 61 1HB ALA 61 -6.380 -1.715 9.612 455 HB2 ALA 61 2HB ALA 61 -6.886 -2.133 7.958 456 HB3 ALA 61 3HB ALA 61 -5.514 -1.030 8.216 457 H GLU 62 H GLU 62 -8.602 -1.036 10.728 458 HA GLU 62 HA GLU 62 -10.710 -2.380 9.743 459 HB2 GLU 62 1HB GLU 62 -10.364 -2.597 12.050 460 HB3 GLU 62 2HB GLU 62 -10.239 -0.869 12.309 461 HG2 GLU 62 1HG GLU 62 -12.877 -1.680 11.237 462 HG3 GLU 62 2HG GLU 62 -12.511 -2.430 12.778 463 H LYS 63 H LYS 63 -11.146 0.922 11.206 464 HA LYS 63 HA LYS 63 -13.606 1.474 10.321 465 HB2 LYS 63 1HB LYS 63 -11.205 3.099 10.942 466 HB3 LYS 63 2HB LYS 63 -12.452 3.918 10.023 467 HG2 LYS 63 1HG LYS 63 -13.787 4.084 11.851 468 HG3 LYS 63 2HG LYS 63 -13.697 2.358 12.139 469 HD2 LYS 63 1HD LYS 63 -11.271 2.926 13.076 470 HD3 LYS 63 2HD LYS 63 -11.911 4.551 13.219 471 HE2 LYS 63 1HE LYS 63 -13.682 2.379 14.271 472 HE3 LYS 63 2HE LYS 63 -12.189 2.627 15.156 473 HZ1 LYS 63 1HZ LYS 63 -14.463 4.157 15.272 474 HZ2 LYS 63 2HZ LYS 63 -13.039 4.448 16.017 475 HZ3 LYS 63 3HZ LYS 63 -13.342 5.101 14.551 476 H SER 64 H SER 64 -10.670 2.537 8.453 477 HA SER 64 HA SER 64 -11.911 3.346 6.235 478 HB2 SER 64 1HB SER 64 -9.554 1.776 5.502 479 HB3 SER 64 2HB SER 64 -9.792 3.511 5.447 480 HG SER 64 HG SER 64 -8.410 2.010 7.290 481 H GLY 65 H GLY 65 -10.978 -0.051 7.072 482 HA2 GLY 65 1HA GLY 65 -11.688 -2.031 6.285 483 HA3 GLY 65 2HA GLY 65 -13.158 -1.222 5.777 484 H LEU 66 H LEU 66 -10.303 0.231 4.453 485 HA LEU 66 HA LEU 66 -11.057 -0.619 1.832 486 HB2 LEU 66 1HB LEU 66 -8.894 1.157 2.944 487 HB3 LEU 66 2HB LEU 66 -8.981 0.754 1.240 488 HG LEU 66 HG LEU 66 -10.066 2.782 1.304 489 HD11 LEU 66 1HD1 LEU 66 -12.227 2.397 0.609 490 HD12 LEU 66 2HD1 LEU 66 -11.513 0.775 0.453 491 HD13 LEU 66 3HD1 LEU 66 -12.531 1.167 1.859 492 HD21 LEU 66 1HD2 LEU 66 -11.972 3.003 3.222 493 HD22 LEU 66 2HD2 LEU 66 -10.766 2.001 4.064 494 HD23 LEU 66 3HD2 LEU 66 -10.297 3.581 3.392 495 H LEU 67 H LEU 67 -8.910 -1.742 4.349 496 HA LEU 67 HA LEU 67 -7.479 -3.390 2.396 497 HB2 LEU 67 1HB LEU 67 -6.751 -3.103 5.293 498 HB3 LEU 67 2HB LEU 67 -5.748 -3.600 3.944 499 HG LEU 67 HG LEU 67 -6.782 -0.874 3.637 500 HD11 LEU 67 1HD1 LEU 67 -5.724 -1.659 6.235 501 HD12 LEU 67 2HD1 LEU 67 -4.759 -0.375 5.468 502 HD13 LEU 67 3HD1 LEU 67 -6.505 -0.144 5.722 503 HD21 LEU 67 1HD2 LEU 67 -4.790 -2.296 2.529 504 HD22 LEU 67 2HD2 LEU 67 -4.799 -0.518 2.609 505 HD23 LEU 67 3HD2 LEU 67 -3.877 -1.458 3.807 506 H HIS 68 H HIS 68 -7.756 -5.587 2.328 507 HA HIS 68 HA HIS 68 -9.280 -6.770 4.517 508 HB2 HIS 68 1HB HIS 68 -9.927 -6.955 1.568 509 HB3 HIS 68 2HB HIS 68 -10.529 -8.105 2.745 510 HD1 HIS 68 1HD HIS 68 -12.085 -5.766 0.973 511 HD2 HIS 68 2HD HIS 68 -11.389 -5.902 5.107 512 HE1 HIS 68 1HE HIS 68 -13.858 -4.278 2.046 513 H GLU 69 H GLU 69 -8.727 -8.935 4.990 514 HA GLU 69 HA GLU 69 -6.159 -9.655 4.557 515 HB2 GLU 69 1HB GLU 69 -8.563 -11.459 5.070 516 HB3 GLU 69 2HB GLU 69 -6.896 -11.968 5.253 517 HG2 GLU 69 1HG GLU 69 -6.506 -10.321 7.015 518 HG3 GLU 69 2HG GLU 69 -8.060 -9.564 6.728 519 H GLY 70 H GLY 70 -5.013 -10.335 2.800 520 HA2 GLY 70 1HA GLY 70 -4.813 -12.004 1.071 521 HA3 GLY 70 2HA GLY 70 -6.499 -11.746 0.667 522 H ASP 71 H ASP 71 -5.409 -8.703 1.473 523 HA ASP 71 HA ASP 71 -5.233 -8.000 -1.283 524 HB2 ASP 71 1HB ASP 71 -5.490 -6.595 1.346 525 HB3 ASP 71 2HB ASP 71 -4.669 -5.686 0.093 526 H GLU 72 H GLU 72 -3.314 -7.332 -2.366 527 HA GLU 72 HA GLU 72 -0.887 -7.700 -0.816 528 HB2 GLU 72 1HB GLU 72 -1.027 -9.119 -2.783 529 HB3 GLU 72 2HB GLU 72 -1.437 -7.760 -3.811 530 HG2 GLU 72 1HG GLU 72 0.775 -6.778 -3.543 531 HG3 GLU 72 2HG GLU 72 1.189 -7.906 -2.267 532 H VAL 73 H VAL 73 0.584 -6.032 -0.493 533 HA VAL 73 HA VAL 73 -0.317 -3.408 -1.361 534 HB VAL 73 HB VAL 73 1.920 -4.182 0.518 535 HG11 VAL 73 1HG1 VAL 73 0.396 -1.570 0.231 536 HG12 VAL 73 2HG1 VAL 73 1.749 -1.902 1.339 537 HG13 VAL 73 3HG1 VAL 73 2.023 -1.885 -0.420 538 HG21 VAL 73 1HG2 VAL 73 -0.688 -4.800 0.964 539 HG22 VAL 73 2HG2 VAL 73 0.478 -4.403 2.249 540 HG23 VAL 73 3HG2 VAL 73 -0.626 -3.151 1.630 541 H LEU 74 H LEU 74 0.786 -2.108 -2.805 542 HA LEU 74 HA LEU 74 3.249 -3.270 -3.906 543 HB2 LEU 74 1HB LEU 74 1.117 -1.796 -5.454 544 HB3 LEU 74 2HB LEU 74 2.585 -2.503 -6.096 545 HG LEU 74 HG LEU 74 0.305 -4.056 -4.839 546 HD11 LEU 74 1HD1 LEU 74 -0.733 -3.984 -6.794 547 HD12 LEU 74 2HD1 LEU 74 0.537 -2.913 -7.434 548 HD13 LEU 74 3HD1 LEU 74 0.697 -4.678 -7.596 549 HD21 LEU 74 1HD2 LEU 74 2.973 -4.872 -5.951 550 HD22 LEU 74 2HD2 LEU 74 2.141 -5.409 -4.472 551 HD23 LEU 74 3HD2 LEU 74 1.578 -5.972 -6.064 552 H GLU 75 H GLU 75 1.277 -0.284 -3.372 553 HA GLU 75 HA GLU 75 3.726 1.061 -2.703 554 HB2 GLU 75 1HB GLU 75 2.521 1.385 -5.288 555 HB3 GLU 75 2HB GLU 75 2.243 2.870 -4.400 556 HG2 GLU 75 1HG GLU 75 4.648 3.085 -3.904 557 HG3 GLU 75 2HG GLU 75 4.975 1.523 -4.628 558 H ILE 76 H ILE 76 3.390 2.859 -1.285 559 HA ILE 76 HA ILE 76 0.598 3.436 -0.641 560 HB ILE 76 HB ILE 76 2.730 2.478 1.254 561 HG12 ILE 76 1HG1 ILE 76 -0.097 1.581 0.634 562 HG13 ILE 76 2HG1 ILE 76 1.389 0.725 0.277 563 HG21 ILE 76 1HG2 ILE 76 0.419 3.124 2.728 564 HG22 ILE 76 2HG2 ILE 76 2.025 3.885 2.817 565 HG23 ILE 76 3HG2 ILE 76 0.785 4.550 1.727 566 HD11 ILE 76 1HD1 ILE 76 -0.167 0.578 2.659 567 HD12 ILE 76 2HD1 ILE 76 1.396 -0.211 2.336 568 HD13 ILE 76 3HD1 ILE 76 1.351 1.396 3.100 569 H ASN 77 H ASN 77 0.465 5.533 -1.283 570 HA ASN 77 HA ASN 77 0.749 7.692 -1.134 571 HB2 ASN 77 1HB ASN 77 1.968 6.894 1.246 572 HB3 ASN 77 2HB ASN 77 3.271 7.760 0.456 573 HD21 ASN 77 1HD2 ASN 77 1.140 8.185 2.707 574 HD22 ASN 77 2HD2 ASN 77 0.623 9.823 2.482 575 H GLY 78 H GLY 78 2.714 5.436 -2.484 576 HA2 GLY 78 1HA GLY 78 3.762 6.116 -4.578 577 HA3 GLY 78 2HA GLY 78 4.517 7.438 -3.710 578 H ILE 79 H ILE 79 4.869 5.596 -1.252 579 HA ILE 79 HA ILE 79 7.473 4.716 -1.960 580 HB ILE 79 HB ILE 79 5.810 4.338 0.531 581 HG12 ILE 79 1HG1 ILE 79 7.941 6.085 1.017 582 HG13 ILE 79 2HG1 ILE 79 7.329 6.576 -0.550 583 HG21 ILE 79 1HG2 ILE 79 7.753 2.677 0.037 584 HG22 ILE 79 2HG2 ILE 79 8.799 4.061 0.436 585 HG23 ILE 79 3HG2 ILE 79 7.635 3.450 1.636 586 HD11 ILE 79 1HD1 ILE 79 4.962 6.457 0.519 587 HD12 ILE 79 2HD1 ILE 79 5.817 6.398 2.079 588 HD13 ILE 79 3HD1 ILE 79 6.016 7.805 1.008 589 H GLU 80 H GLU 80 8.260 2.645 -2.343 590 HA GLU 80 HA GLU 80 6.326 0.832 -3.326 591 HB2 GLU 80 1HB GLU 80 9.111 1.297 -3.661 592 HB3 GLU 80 2HB GLU 80 8.982 -0.331 -3.026 593 HG2 GLU 80 1HG GLU 80 7.222 -0.810 -4.808 594 HG3 GLU 80 2HG GLU 80 7.554 0.771 -5.490 595 H ILE 81 H ILE 81 5.893 -1.344 -2.566 596 HA ILE 81 HA ILE 81 6.688 -1.766 0.229 597 HB ILE 81 HB ILE 81 3.983 -2.178 -1.043 598 HG12 ILE 81 1HG1 ILE 81 4.884 0.132 -0.111 599 HG13 ILE 81 2HG1 ILE 81 3.229 -0.386 0.142 600 HG21 ILE 81 1HG2 ILE 81 3.930 -3.993 0.306 601 HG22 ILE 81 2HG2 ILE 81 5.215 -3.382 1.375 602 HG23 ILE 81 3HG2 ILE 81 3.553 -2.768 1.540 603 HD11 ILE 81 1HD1 ILE 81 4.633 0.472 2.195 604 HD12 ILE 81 2HD1 ILE 81 3.601 -0.964 2.397 605 HD13 ILE 81 3HD1 ILE 81 5.354 -1.155 2.158 606 H ARG 82 H ARG 82 5.622 -3.206 -2.904 607 HA ARG 82 HA ARG 82 5.913 -5.810 -2.299 608 HB2 ARG 82 1HB ARG 82 5.087 -5.154 -4.476 609 HB3 ARG 82 2HB ARG 82 6.554 -4.272 -4.854 610 HG2 ARG 82 1HG ARG 82 7.505 -6.132 -5.733 611 HG3 ARG 82 2HG ARG 82 7.275 -7.006 -4.231 612 HD2 ARG 82 1HD ARG 82 5.884 -8.319 -5.511 613 HD3 ARG 82 2HD ARG 82 4.708 -7.066 -5.168 614 HE ARG 82 HE ARG 82 6.289 -6.352 -7.483 615 HH11 ARG 82 2HH2 ARG 82 3.654 -8.447 -6.457 616 HH12 ARG 82 1HH2 ARG 82 2.940 -8.534 -8.032 617 HH21 ARG 82 2HH1 ARG 82 5.347 -6.466 -9.561 618 HH22 ARG 82 1HH1 ARG 82 3.909 -7.399 -9.810 619 H GLY 83 H GLY 83 7.624 -6.742 -1.201 620 HA2 GLY 83 1HA GLY 83 9.822 -7.684 -1.583 621 HA3 GLY 83 2HA GLY 83 10.344 -6.123 -2.186 622 H LYS 84 H LYS 84 8.669 -4.691 -0.050 623 HA LYS 84 HA LYS 84 10.725 -4.451 1.845 624 HB2 LYS 84 1HB LYS 84 7.851 -3.488 1.830 625 HB3 LYS 84 2HB LYS 84 9.020 -3.048 3.058 626 HG2 LYS 84 1HG LYS 84 10.535 -2.363 0.986 627 HG3 LYS 84 2HG LYS 84 9.017 -2.339 0.112 628 HD2 LYS 84 1HD LYS 84 8.082 -0.660 1.601 629 HD3 LYS 84 2HD LYS 84 9.404 -0.837 2.737 630 HE2 LYS 84 1HE LYS 84 9.761 0.138 -0.137 631 HE3 LYS 84 2HE LYS 84 9.575 1.210 1.237 632 HZ1 LYS 84 1HZ LYS 84 11.706 -0.792 0.935 633 HZ2 LYS 84 2HZ LYS 84 11.878 0.818 0.724 634 HZ3 LYS 84 3HZ LYS 84 11.536 0.221 2.205 635 H ASP 85 H ASP 85 9.603 -4.431 4.363 636 HA ASP 85 HA ASP 85 8.849 -7.232 4.667 637 HB2 ASP 85 1HB ASP 85 11.101 -6.859 5.542 638 HB3 ASP 85 2HB ASP 85 10.580 -5.435 6.421 639 H VAL 86 H VAL 86 7.556 -7.609 6.785 640 HA VAL 86 HA VAL 86 5.341 -5.972 6.887 641 HB VAL 86 HB VAL 86 4.811 -7.187 8.952 642 HG11 VAL 86 1HG1 VAL 86 6.009 -9.292 7.203 643 HG12 VAL 86 2HG1 VAL 86 4.366 -9.157 7.875 644 HG13 VAL 86 3HG1 VAL 86 4.837 -8.170 6.470 645 HG21 VAL 86 1HG2 VAL 86 6.898 -7.292 10.096 646 HG22 VAL 86 2HG2 VAL 86 6.449 -8.970 9.707 647 HG23 VAL 86 3HG2 VAL 86 7.682 -8.131 8.736 648 H ASN 87 H ASN 87 8.238 -6.066 9.066 649 HA ASN 87 HA ASN 87 7.401 -4.139 10.801 650 HB2 ASN 87 1HB ASN 87 9.777 -5.594 10.298 651 HB3 ASN 87 2HB ASN 87 10.278 -3.920 10.165 652 HD21 ASN 87 1HD2 ASN 87 8.536 -6.223 12.205 653 HD22 ASN 87 2HD2 ASN 87 8.880 -5.484 13.734 654 H GLU 88 H GLU 88 9.288 -3.880 7.706 655 HA GLU 88 HA GLU 88 9.734 -1.169 7.810 656 HB2 GLU 88 1HB GLU 88 10.043 -3.325 5.911 657 HB3 GLU 88 2HB GLU 88 9.372 -1.942 5.070 658 HG2 GLU 88 1HG GLU 88 11.539 -1.205 6.950 659 HG3 GLU 88 2HG GLU 88 12.069 -2.314 5.700 660 H VAL 89 H VAL 89 7.056 -3.026 6.207 661 HA VAL 89 HA VAL 89 5.721 -0.843 5.156 662 HB VAL 89 HB VAL 89 4.840 -3.570 6.089 663 HG11 VAL 89 1HG1 VAL 89 2.933 -2.496 4.272 664 HG12 VAL 89 2HG1 VAL 89 2.694 -2.984 5.967 665 HG13 VAL 89 3HG1 VAL 89 3.151 -1.308 5.579 666 HG21 VAL 89 1HG2 VAL 89 4.654 -2.809 3.245 667 HG22 VAL 89 2HG2 VAL 89 6.308 -2.809 3.904 668 HG23 VAL 89 3HG2 VAL 89 5.310 -4.280 4.002 669 H PHE 90 H PHE 90 5.533 -2.383 8.415 670 HA PHE 90 HA PHE 90 3.409 -0.787 9.317 671 HB2 PHE 90 1HB PHE 90 5.757 -2.216 10.703 672 HB3 PHE 90 2HB PHE 90 4.371 -1.591 11.574 673 HD1 PHE 90 1HD PHE 90 2.275 -2.397 9.480 674 HD2 PHE 90 2HD PHE 90 5.496 -4.505 11.266 675 HE1 PHE 90 1HE PHE 90 1.065 -4.563 9.106 676 HE2 PHE 90 2HE PHE 90 4.285 -6.672 10.892 677 HZ PHE 90 HZ PHE 90 2.084 -6.675 9.817 678 H ASP 91 H ASP 91 6.962 -0.621 10.107 679 HA ASP 91 HA ASP 91 6.887 1.640 11.567 680 HB2 ASP 91 1HB ASP 91 8.856 0.027 10.324 681 HB3 ASP 91 2HB ASP 91 9.188 1.644 9.738 682 H LEU 92 H LEU 92 6.740 1.190 8.022 683 HA LEU 92 HA LEU 92 7.353 3.781 7.221 684 HB2 LEU 92 1HB LEU 92 6.071 1.388 6.076 685 HB3 LEU 92 2HB LEU 92 5.589 2.904 5.339 686 HG LEU 92 HG LEU 92 8.510 2.511 5.722 687 HD11 LEU 92 1HD1 LEU 92 6.821 0.684 4.070 688 HD12 LEU 92 2HD1 LEU 92 8.379 1.232 3.406 689 HD13 LEU 92 3HD1 LEU 92 8.330 0.366 4.961 690 HD21 LEU 92 1HD2 LEU 92 7.754 4.526 4.671 691 HD22 LEU 92 2HD2 LEU 92 8.540 3.514 3.435 692 HD23 LEU 92 3HD2 LEU 92 6.764 3.613 3.507 693 H LEU 93 H LEU 93 4.019 2.337 7.292 694 HA LEU 93 HA LEU 93 2.662 4.693 7.102 695 HB2 LEU 93 1HB LEU 93 1.895 2.180 8.593 696 HB3 LEU 93 2HB LEU 93 0.788 3.473 8.172 697 HG LEU 93 HG LEU 93 2.370 1.924 6.109 698 HD11 LEU 93 1HD1 LEU 93 1.019 0.312 7.272 699 HD12 LEU 93 2HD1 LEU 93 -0.409 1.372 7.181 700 HD13 LEU 93 3HD1 LEU 93 0.266 0.660 5.696 701 HD21 LEU 93 1HD2 LEU 93 -0.017 2.863 5.013 702 HD22 LEU 93 2HD2 LEU 93 0.579 4.207 6.017 703 HD23 LEU 93 3HD2 LEU 93 1.619 3.514 4.749 704 H SER 94 H SER 94 3.698 2.989 10.134 705 HA SER 94 HA SER 94 2.652 4.534 11.994 706 HB2 SER 94 1HB SER 94 4.686 2.676 11.918 707 HB3 SER 94 2HB SER 94 5.570 4.107 12.411 708 HG SER 94 HG SER 94 3.119 3.693 13.756 709 H ASP 95 H ASP 95 5.680 5.313 10.147 710 HA ASP 95 HA ASP 95 6.135 7.722 11.439 711 HB2 ASP 95 1HB ASP 95 7.821 6.520 10.062 712 HB3 ASP 95 2HB ASP 95 6.873 6.814 8.617 713 H MET 96 H MET 96 4.351 6.778 8.438 714 HA MET 96 HA MET 96 3.764 9.462 7.749 715 HB2 MET 96 1HB MET 96 2.394 6.880 6.820 716 HB3 MET 96 2HB MET 96 2.418 8.407 5.960 717 HG2 MET 96 1HG MET 96 5.082 8.078 6.137 718 HG3 MET 96 2HG MET 96 4.640 6.391 6.312 719 HE1 MET 96 1HE MET 96 3.263 4.995 3.938 720 HE2 MET 96 2HE MET 96 2.260 5.934 5.069 721 HE3 MET 96 3HE MET 96 2.082 6.172 3.314 722 H HIS 97 H HIS 97 1.349 10.115 7.355 723 HA HIS 97 HA HIS 97 -0.591 8.927 9.025 724 HB2 HIS 97 1HB HIS 97 -0.820 11.160 10.396 725 HB3 HIS 97 2HB HIS 97 0.227 9.862 10.935 726 HD1 HIS 97 1HD HIS 97 0.790 12.767 8.474 727 HD2 HIS 97 2HD HIS 97 2.521 10.994 11.859 728 HE1 HIS 97 1HE HIS 97 2.930 14.073 8.950 729 H GLY 98 H GLY 98 -2.659 10.351 9.020 730 HA2 GLY 98 1HA GLY 98 -4.049 11.846 7.983 731 HA3 GLY 98 2HA GLY 98 -2.747 12.354 6.925 732 H THR 99 H THR 99 -4.580 12.207 5.276 733 HA THR 99 HA THR 99 -5.620 9.674 4.575 734 HB THR 99 HB THR 99 -5.313 12.173 2.837 735 HG1 THR 99 1HG THR 99 -7.254 12.809 4.009 736 HG21 THR 99 1HG2 THR 99 -6.394 9.895 1.996 737 HG22 THR 99 2HG2 THR 99 -7.734 10.354 3.074 738 HG23 THR 99 3HG2 THR 99 -7.269 11.422 1.728 739 H LEU 100 H LEU 100 -4.150 8.050 4.276 740 HA LEU 100 HA LEU 100 -1.934 8.589 2.466 741 HB2 LEU 100 1HB LEU 100 -2.446 6.001 3.894 742 HB3 LEU 100 2HB LEU 100 -0.933 6.659 3.305 743 HG LEU 100 HG LEU 100 -1.892 8.513 5.213 744 HD11 LEU 100 1HD1 LEU 100 -2.263 5.646 6.089 745 HD12 LEU 100 2HD1 LEU 100 -1.980 6.978 7.235 746 HD13 LEU 100 3HD1 LEU 100 -3.417 6.998 6.185 747 HD21 LEU 100 1HD2 LEU 100 0.383 6.591 4.968 748 HD22 LEU 100 2HD2 LEU 100 0.385 8.368 5.077 749 HD23 LEU 100 3HD2 LEU 100 0.100 7.387 6.535 750 H THR 101 H THR 101 -1.552 7.297 0.566 751 HA THR 101 HA THR 101 -4.064 6.225 -0.526 752 HB THR 101 HB THR 101 -1.548 7.383 -1.837 753 HG1 THR 101 1HG THR 101 -4.369 8.177 -1.771 754 HG21 THR 101 1HG2 THR 101 -2.325 6.634 -3.852 755 HG22 THR 101 2HG2 THR 101 -3.464 5.597 -2.961 756 HG23 THR 101 3HG2 THR 101 -3.963 7.225 -3.481 757 H PHE 102 H PHE 102 -4.167 4.101 0.018 758 HA PHE 102 HA PHE 102 -1.755 2.520 -0.142 759 HB2 PHE 102 1HB PHE 102 -4.701 2.103 0.603 760 HB3 PHE 102 2HB PHE 102 -3.603 0.740 0.516 761 HD1 PHE 102 2HD PHE 102 -4.166 3.975 2.237 762 HD2 PHE 102 1HD PHE 102 -2.180 0.226 2.316 763 HE1 PHE 102 2HE PHE 102 -3.438 4.411 4.599 764 HE2 PHE 102 1HE PHE 102 -1.452 0.661 4.679 765 HZ PHE 102 HZ PHE 102 -2.089 2.749 5.792 766 H VAL 103 H VAL 103 -1.112 1.451 -1.948 767 HA VAL 103 HA VAL 103 -3.147 1.033 -4.021 768 HB VAL 103 HB VAL 103 -0.134 1.213 -4.225 769 HG11 VAL 103 1HG1 VAL 103 -0.296 0.901 -6.512 770 HG12 VAL 103 2HG1 VAL 103 -1.548 -0.216 -5.916 771 HG13 VAL 103 3HG1 VAL 103 -2.011 1.375 -6.567 772 HG21 VAL 103 1HG2 VAL 103 -2.262 3.242 -4.261 773 HG22 VAL 103 2HG2 VAL 103 -0.505 3.423 -4.041 774 HG23 VAL 103 3HG2 VAL 103 -1.189 3.303 -5.680 775 H LEU 104 H LEU 104 -4.031 -0.948 -3.407 776 HA LEU 104 HA LEU 104 -2.154 -3.180 -3.593 777 HB2 LEU 104 1HB LEU 104 -3.727 -4.207 -1.745 778 HB3 LEU 104 2HB LEU 104 -2.281 -3.298 -1.352 779 HG LEU 104 HG LEU 104 -4.117 -1.289 -1.394 780 HD11 LEU 104 1HD1 LEU 104 -6.217 -1.878 -0.723 781 HD12 LEU 104 2HD1 LEU 104 -5.822 -3.287 -1.737 782 HD13 LEU 104 3HD1 LEU 104 -5.677 -3.396 0.034 783 HD21 LEU 104 1HD2 LEU 104 -3.930 -1.245 0.967 784 HD22 LEU 104 2HD2 LEU 104 -3.639 -2.999 1.053 785 HD23 LEU 104 3HD2 LEU 104 -2.404 -1.925 0.353 786 H ILE 105 H ILE 105 -3.375 -5.289 -4.000 787 HA ILE 105 HA ILE 105 -5.713 -4.664 -5.665 788 HB ILE 105 HB ILE 105 -3.729 -6.917 -5.988 789 HG12 ILE 105 1HG1 ILE 105 -3.930 -4.505 -7.785 790 HG13 ILE 105 2HG1 ILE 105 -2.907 -4.484 -6.362 791 HG21 ILE 105 1HG2 ILE 105 -5.783 -5.943 -7.976 792 HG22 ILE 105 2HG2 ILE 105 -4.820 -7.439 -8.012 793 HG23 ILE 105 3HG2 ILE 105 -6.113 -7.242 -6.805 794 HD11 ILE 105 1HD1 ILE 105 -1.564 -5.199 -8.266 795 HD12 ILE 105 2HD1 ILE 105 -1.789 -6.598 -7.189 796 HD13 ILE 105 3HD1 ILE 105 -2.750 -6.461 -8.682 797 HA PRO 106 HA PRO 106 -7.856 -7.178 -2.851 798 HB2 PRO 106 1HB PRO 106 -10.291 -7.172 -4.092 799 HB3 PRO 106 2HB PRO 106 -9.751 -5.883 -3.034 800 HG2 PRO 106 1HG PRO 106 -9.938 -5.903 -5.984 801 HG3 PRO 106 2HG PRO 106 -9.817 -4.531 -4.900 802 HD2 PRO 106 1HD PRO 106 -7.717 -5.635 -6.513 803 HD3 PRO 106 2HD PRO 106 -7.569 -4.338 -5.344 804 H SER 107 H SER 107 -7.487 -9.271 -2.530 805 HA SER 107 HA SER 107 -7.330 -10.884 -4.871 806 HB2 SER 107 1HB SER 107 -5.734 -11.211 -3.034 807 HB3 SER 107 2HB SER 107 -7.036 -11.532 -1.906 808 HG SER 107 HG SER 107 -7.157 -13.565 -2.587 809 H SER 108 H SER 108 -9.607 -10.666 -5.588 810 HA SER 108 HA SER 108 -11.629 -11.656 -3.855 811 HB2 SER 108 1HB SER 108 -11.469 -10.471 -6.590 812 HB3 SER 108 2HB SER 108 -12.808 -11.571 -6.332 813 HG SER 108 HG SER 108 -12.173 -9.221 -4.762 814 H GLY 109 H GLY 109 -9.878 -13.685 -3.818 815 HA2 GLY 109 1HA GLY 109 -11.099 -15.709 -5.586 816 HA3 GLY 109 2HA GLY 109 -9.360 -15.601 -5.403 817 HA PRO 110 HA PRO 110 -11.192 -17.011 -1.247 818 HB2 PRO 110 1HB PRO 110 -13.823 -17.745 -1.146 819 HB3 PRO 110 2HB PRO 110 -13.250 -16.161 -0.662 820 HG2 PRO 110 1HG PRO 110 -14.692 -16.937 -3.122 821 HG3 PRO 110 2HG PRO 110 -14.491 -15.342 -2.425 822 HD2 PRO 110 1HD PRO 110 -13.093 -16.415 -4.688 823 HD3 PRO 110 2HD PRO 110 -12.810 -14.866 -3.920 824 H SER 111 H SER 111 -9.874 -18.750 -1.294 825 HA SER 111 HA SER 111 -11.228 -21.116 -2.316 826 HB2 SER 111 1HB SER 111 -9.158 -19.985 -3.668 827 HB3 SER 111 2HB SER 111 -8.242 -20.981 -2.556 828 HG SER 111 HG SER 111 -9.206 -21.827 -4.798 829 H SER 112 H SER 112 -8.281 -19.988 -0.489 830 HA SER 112 HA SER 112 -8.304 -22.342 1.087 831 HB2 SER 112 1HB SER 112 -6.734 -19.737 1.308 832 HB3 SER 112 2HB SER 112 -6.465 -21.117 2.354 833 HG SER 112 HG SER 112 -5.255 -21.979 0.825 834 H GLY 113 H GLY 113 -8.946 -22.573 3.286 835 HA2 GLY 113 1HA GLY 113 -9.684 -20.448 4.965 836 HA3 GLY 113 2HA GLY 113 -11.121 -21.027 4.146
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