NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17723 | 2ctl | 11138 | 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 H GLY 1 -3.804 -43.990 23.893 2 HA2 GLY 1 1HA GLY 1 -3.142 -43.871 21.482 3 HA3 GLY 1 2HA GLY 1 -4.723 -43.153 21.211 4 H SER 2 H SER 2 -2.177 -42.009 20.543 5 HA SER 2 HA SER 2 -2.544 -39.426 21.757 6 HB2 SER 2 1HB SER 2 -0.163 -41.129 22.415 7 HB3 SER 2 2HB SER 2 0.011 -39.377 22.328 8 HG SER 2 HG SER 2 -1.288 -39.142 24.036 9 H SER 3 H SER 3 -2.533 -38.162 20.029 10 HA SER 3 HA SER 3 -0.423 -38.557 18.014 11 HB2 SER 3 1HB SER 3 -2.003 -37.932 16.257 12 HB3 SER 3 2HB SER 3 -2.606 -39.332 17.143 13 HG SER 3 HG SER 3 -3.715 -36.883 16.847 14 H GLY 4 H GLY 4 -0.085 -36.561 16.652 15 HA2 GLY 4 1HA GLY 4 -0.933 -34.017 17.500 16 HA3 GLY 4 2HA GLY 4 0.590 -34.389 18.293 17 H SER 5 H SER 5 -0.773 -34.768 15.017 18 HA SER 5 HA SER 5 1.795 -33.838 13.937 19 HB2 SER 5 1HB SER 5 -0.474 -35.305 12.569 20 HB3 SER 5 2HB SER 5 1.046 -34.839 11.807 21 HG SER 5 HG SER 5 1.088 -37.006 12.532 22 H SER 6 H SER 6 1.733 -31.668 13.818 23 HA SER 6 HA SER 6 -0.032 -30.450 11.911 24 HB2 SER 6 1HB SER 6 -1.543 -30.375 13.791 25 HB3 SER 6 2HB SER 6 -0.279 -29.732 14.839 26 HG SER 6 HG SER 6 -1.976 -28.392 13.300 27 H GLY 7 H GLY 7 1.067 -28.910 10.881 28 HA2 GLY 7 1HA GLY 7 3.651 -28.095 11.908 29 HA3 GLY 7 2HA GLY 7 2.986 -27.711 10.327 30 H GLU 8 H GLU 8 4.296 -26.053 12.469 31 HA GLU 8 HA GLU 8 2.500 -24.373 13.751 32 HB2 GLU 8 1HB GLU 8 5.231 -23.773 12.608 33 HB3 GLU 8 2HB GLU 8 4.342 -22.663 13.642 34 HG2 GLU 8 1HG GLU 8 5.799 -23.738 15.090 35 HG3 GLU 8 2HG GLU 8 4.268 -24.578 15.330 36 H GLN 9 H GLN 9 1.891 -22.154 13.239 37 HA GLN 9 HA GLN 9 1.560 -21.698 10.349 38 HB2 GLN 9 1HB GLN 9 -0.475 -21.166 12.520 39 HB3 GLN 9 2HB GLN 9 -0.663 -20.735 10.826 40 HG2 GLN 9 1HG GLN 9 -0.193 -23.567 11.682 41 HG3 GLN 9 2HG GLN 9 -1.806 -22.857 11.660 42 HE21 GLN 9 1HE2 GLN 9 -2.862 -22.659 9.770 43 HE22 GLN 9 2HE2 GLN 9 -2.223 -23.136 8.237 44 H GLU 10 H GLU 10 2.136 -20.376 13.516 45 HA GLU 10 HA GLU 10 2.511 -18.210 14.230 46 HB2 GLU 10 1HB GLU 10 4.527 -17.271 13.141 47 HB3 GLU 10 2HB GLU 10 4.703 -18.970 13.553 48 HG2 GLU 10 1HG GLU 10 4.088 -19.498 11.173 49 HG3 GLU 10 2HG GLU 10 4.234 -17.774 10.839 50 H ASP 11 H ASP 11 0.195 -18.132 12.801 51 HA ASP 11 HA ASP 11 0.300 -16.193 10.691 52 HB2 ASP 11 1HB ASP 11 -1.894 -17.576 12.197 53 HB3 ASP 11 2HB ASP 11 -2.271 -16.182 11.187 54 H ARG 12 H ARG 12 -0.740 -16.148 14.087 55 HA ARG 12 HA ARG 12 -1.754 -13.675 14.412 56 HB2 ARG 12 1HB ARG 12 -0.770 -13.635 16.675 57 HB3 ARG 12 2HB ARG 12 -1.463 -15.202 16.276 58 HG2 ARG 12 1HG ARG 12 0.732 -16.110 15.849 59 HG3 ARG 12 2HG ARG 12 1.466 -14.527 16.114 60 HD2 ARG 12 1HD ARG 12 -0.210 -15.800 18.241 61 HD3 ARG 12 2HD ARG 12 1.476 -16.273 18.031 62 HE ARG 12 HE ARG 12 1.432 -13.507 18.148 63 HH11 ARG 12 1HH1 ARG 12 0.607 -16.186 20.213 64 HH12 ARG 12 2HH1 ARG 12 0.951 -15.329 21.680 65 HH21 ARG 12 1HH2 ARG 12 1.888 -12.369 20.072 66 HH22 ARG 12 2HH2 ARG 12 1.678 -13.159 21.599 67 H ALA 13 H ALA 13 1.707 -14.423 14.193 68 HA ALA 13 HA ALA 13 2.527 -11.695 14.452 69 HB1 ALA 13 1HB ALA 13 4.460 -13.417 13.144 70 HB2 ALA 13 2HB ALA 13 4.562 -12.570 14.688 71 HB3 ALA 13 3HB ALA 13 3.789 -14.153 14.600 72 H LEU 14 H LEU 14 2.180 -13.947 11.730 73 HA LEU 14 HA LEU 14 3.195 -12.387 9.690 74 HB2 LEU 14 1HB LEU 14 0.953 -14.384 9.735 75 HB3 LEU 14 2HB LEU 14 1.482 -13.606 8.244 76 HG LEU 14 HG LEU 14 3.283 -15.260 10.006 77 HD11 LEU 14 1HD1 LEU 14 1.269 -16.056 8.065 78 HD12 LEU 14 2HD1 LEU 14 2.155 -17.023 9.242 79 HD13 LEU 14 3HD1 LEU 14 2.880 -16.660 7.676 80 HD21 LEU 14 1HD2 LEU 14 3.845 -13.452 7.962 81 HD22 LEU 14 2HD2 LEU 14 3.964 -15.043 7.210 82 HD23 LEU 14 3HD2 LEU 14 4.932 -14.668 8.638 83 H ARG 15 H ARG 15 -0.182 -12.524 10.818 84 HA ARG 15 HA ARG 15 -1.183 -10.555 9.094 85 HB2 ARG 15 1HB ARG 15 -3.064 -10.389 10.680 86 HB3 ARG 15 2HB ARG 15 -2.654 -12.058 10.312 87 HG2 ARG 15 1HG ARG 15 -1.534 -12.305 12.423 88 HG3 ARG 15 2HG ARG 15 -1.753 -10.591 12.779 89 HD2 ARG 15 1HD ARG 15 -3.947 -12.634 12.446 90 HD3 ARG 15 2HD ARG 15 -3.384 -11.958 13.974 91 HE ARG 15 HE ARG 15 -4.532 -10.007 13.514 92 HH11 ARG 15 1HH1 ARG 15 -4.546 -12.100 10.732 93 HH12 ARG 15 2HH1 ARG 15 -5.745 -11.182 9.884 94 HH21 ARG 15 1HH2 ARG 15 -6.112 -8.790 12.407 95 HH22 ARG 15 2HH2 ARG 15 -6.635 -9.299 10.838 96 H SER 16 H SER 16 0.778 -10.308 11.897 97 HA SER 16 HA SER 16 0.116 -7.508 12.350 98 HB2 SER 16 1HB SER 16 0.553 -9.129 14.243 99 HB3 SER 16 2HB SER 16 2.244 -9.146 13.738 100 HG SER 16 HG SER 16 2.275 -6.876 14.091 101 H PHE 17 H PHE 17 1.402 -8.443 9.850 102 HA PHE 17 HA PHE 17 4.094 -7.368 9.991 103 HB2 PHE 17 1HB PHE 17 4.054 -9.169 8.532 104 HB3 PHE 17 2HB PHE 17 2.465 -8.752 7.896 105 HD1 PHE 17 2HD PHE 17 2.278 -6.730 6.380 106 HD2 PHE 17 1HD PHE 17 5.998 -8.514 7.427 107 HE1 PHE 17 2HE PHE 17 3.338 -5.647 4.442 108 HE2 PHE 17 1HE PHE 17 7.065 -7.434 5.490 109 HZ PHE 17 HZ PHE 17 5.735 -5.999 3.995 110 H LYS 18 H LYS 18 4.628 -5.331 9.572 111 HA LYS 18 HA LYS 18 2.635 -3.613 8.244 112 HB2 LYS 18 1HB LYS 18 3.179 -3.151 10.685 113 HB3 LYS 18 2HB LYS 18 4.783 -2.675 10.143 114 HG2 LYS 18 1HG LYS 18 3.998 -0.791 9.051 115 HG3 LYS 18 2HG LYS 18 2.350 -1.417 8.946 116 HD2 LYS 18 1HD LYS 18 3.583 -0.872 11.617 117 HD3 LYS 18 2HD LYS 18 2.914 0.455 10.664 118 HE2 LYS 18 1HE LYS 18 1.115 -0.188 11.976 119 HE3 LYS 18 2HE LYS 18 0.825 -1.058 10.470 120 HZ1 LYS 18 1HZ LYS 18 2.430 -2.519 12.357 121 HZ2 LYS 18 2HZ LYS 18 1.074 -3.018 11.476 122 HZ3 LYS 18 3HZ LYS 18 0.875 -2.175 12.928 123 H LEU 19 H LEU 19 3.194 -2.811 6.334 124 HA LEU 19 HA LEU 19 6.041 -2.821 5.591 125 HB2 LEU 19 1HB LEU 19 4.765 -4.232 4.158 126 HB3 LEU 19 2HB LEU 19 3.535 -2.989 3.932 127 HG LEU 19 HG LEU 19 5.391 -1.632 2.794 128 HD11 LEU 19 1HD1 LEU 19 6.695 -4.292 3.116 129 HD12 LEU 19 2HD1 LEU 19 7.384 -2.675 3.250 130 HD13 LEU 19 3HD1 LEU 19 7.010 -3.345 1.662 131 HD21 LEU 19 1HD2 LEU 19 3.538 -3.508 1.861 132 HD22 LEU 19 2HD2 LEU 19 5.028 -3.827 0.972 133 HD23 LEU 19 3HD2 LEU 19 4.311 -2.214 0.944 134 H SER 20 H SER 20 6.909 -1.046 4.441 135 HA SER 20 HA SER 20 5.334 1.436 4.625 136 HB2 SER 20 1HB SER 20 7.050 2.596 5.639 137 HB3 SER 20 2HB SER 20 7.315 0.997 6.333 138 HG SER 20 HG SER 20 9.244 1.920 5.500 139 H VAL 21 H VAL 21 5.013 2.259 2.677 140 HA VAL 21 HA VAL 21 6.910 1.648 0.526 141 HB VAL 21 HB VAL 21 4.234 2.979 0.176 142 HG11 VAL 21 1HG1 VAL 21 4.441 2.472 -2.064 143 HG12 VAL 21 2HG1 VAL 21 6.117 2.810 -1.624 144 HG13 VAL 21 3HG1 VAL 21 5.561 1.142 -1.768 145 HG21 VAL 21 1HG2 VAL 21 3.548 1.039 1.243 146 HG22 VAL 21 2HG2 VAL 21 3.520 0.568 -0.457 147 HG23 VAL 21 3HG2 VAL 21 4.868 0.081 0.570 148 H THR 22 H THR 22 8.362 3.120 -0.022 149 HA THR 22 HA THR 22 8.129 5.847 0.917 150 HB THR 22 HB THR 22 10.317 4.689 -0.815 151 HG1 THR 22 1HG THR 22 10.326 4.893 2.023 152 HG21 THR 22 1HG2 THR 22 9.800 7.292 0.168 153 HG22 THR 22 2HG2 THR 22 11.234 6.714 -0.682 154 HG23 THR 22 3HG2 THR 22 11.165 6.652 1.080 155 H VAL 23 H VAL 23 6.789 7.124 -0.208 156 HA VAL 23 HA VAL 23 7.377 7.621 -3.002 157 HB VAL 23 HB VAL 23 4.615 6.739 -2.150 158 HG11 VAL 23 1HG1 VAL 23 5.639 7.780 -4.788 159 HG12 VAL 23 2HG1 VAL 23 4.068 7.010 -4.560 160 HG13 VAL 23 3HG1 VAL 23 4.433 8.530 -3.742 161 HG21 VAL 23 1HG2 VAL 23 5.059 4.998 -3.963 162 HG22 VAL 23 2HG2 VAL 23 6.757 5.451 -3.816 163 HG23 VAL 23 3HG2 VAL 23 5.897 4.792 -2.424 164 H ASP 24 H ASP 24 7.173 9.724 -3.456 165 HA ASP 24 HA ASP 24 6.851 11.708 -1.639 166 HB2 ASP 24 1HB ASP 24 6.221 11.661 -4.582 167 HB3 ASP 24 2HB ASP 24 6.038 13.132 -3.631 168 HA PRO 25 HA PRO 25 2.639 11.790 -0.371 169 HB2 PRO 25 1HB PRO 25 2.484 14.370 0.457 170 HB3 PRO 25 2HB PRO 25 3.343 13.120 1.365 171 HG2 PRO 25 1HG PRO 25 4.433 15.196 -0.496 172 HG3 PRO 25 2HG PRO 25 5.060 14.661 1.074 173 HD2 PRO 25 1HD PRO 25 6.093 13.801 -1.277 174 HD3 PRO 25 2HD PRO 25 6.056 12.785 0.178 175 H LYS 26 H LYS 26 3.783 13.303 -3.094 176 HA LYS 26 HA LYS 26 1.509 14.943 -3.718 177 HB2 LYS 26 1HB LYS 26 2.594 15.434 -5.742 178 HB3 LYS 26 2HB LYS 26 3.902 15.228 -4.585 179 HG2 LYS 26 1HG LYS 26 4.240 12.936 -5.404 180 HG3 LYS 26 2HG LYS 26 2.966 13.193 -6.597 181 HD2 LYS 26 1HD LYS 26 4.791 13.701 -7.872 182 HD3 LYS 26 2HD LYS 26 4.454 15.297 -7.199 183 HE2 LYS 26 1HE LYS 26 6.051 14.403 -5.279 184 HE3 LYS 26 2HE LYS 26 6.655 13.395 -6.592 185 HZ1 LYS 26 1HZ LYS 26 7.389 15.216 -7.770 186 HZ2 LYS 26 2HZ LYS 26 7.706 15.698 -6.180 187 HZ3 LYS 26 3HZ LYS 26 6.347 16.297 -6.990 188 H TYR 27 H TYR 27 2.646 11.721 -4.630 189 HA TYR 27 HA TYR 27 0.402 11.263 -6.383 190 HB2 TYR 27 1HB TYR 27 2.401 9.247 -5.348 191 HB3 TYR 27 2HB TYR 27 1.360 9.083 -6.757 192 HD1 TYR 27 2HD TYR 27 1.680 11.511 -8.233 193 HD2 TYR 27 1HD TYR 27 4.604 9.349 -6.024 194 HE1 TYR 27 2HE TYR 27 3.449 12.462 -9.654 195 HE2 TYR 27 1HE TYR 27 6.380 10.294 -7.438 196 HH TYR 27 HH TYR 27 6.147 11.403 -10.189 197 H HIS 28 H HIS 28 1.087 10.886 -3.050 198 HA HIS 28 HA HIS 28 -0.352 8.721 -2.222 199 HB2 HIS 28 1HB HIS 28 0.253 11.370 -1.042 200 HB3 HIS 28 2HB HIS 28 -1.054 10.464 -0.284 201 HD2 HIS 28 2HD HIS 28 1.945 8.385 -1.582 202 HE1 HIS 28 1HE HIS 28 2.261 8.650 2.640 203 HE2 HIS 28 2HE HIS 28 3.212 7.630 0.543 204 HA PRO 29 HA PRO 29 -4.468 11.241 -2.209 205 HB2 PRO 29 1HB PRO 29 -4.446 13.683 -3.394 206 HB3 PRO 29 2HB PRO 29 -4.073 13.443 -1.683 207 HG2 PRO 29 1HG PRO 29 -2.208 13.796 -3.998 208 HG3 PRO 29 2HG PRO 29 -2.127 14.510 -2.377 209 HD2 PRO 29 1HD PRO 29 -0.632 12.372 -3.102 210 HD3 PRO 29 2HD PRO 29 -1.224 12.605 -1.446 211 H LYS 30 H LYS 30 -2.347 10.792 -4.785 212 HA LYS 30 HA LYS 30 -4.387 11.113 -6.847 213 HB2 LYS 30 1HB LYS 30 -1.460 10.374 -7.012 214 HB3 LYS 30 2HB LYS 30 -2.526 10.513 -8.405 215 HG2 LYS 30 1HG LYS 30 -2.155 12.797 -6.504 216 HG3 LYS 30 2HG LYS 30 -1.016 12.497 -7.820 217 HD2 LYS 30 1HD LYS 30 -2.602 12.932 -9.459 218 HD3 LYS 30 2HD LYS 30 -3.956 12.631 -8.369 219 HE2 LYS 30 1HE LYS 30 -2.064 14.939 -8.005 220 HE3 LYS 30 2HE LYS 30 -3.511 15.050 -9.006 221 HZ1 LYS 30 1HZ LYS 30 -3.441 14.389 -6.111 222 HZ2 LYS 30 2HZ LYS 30 -4.837 14.445 -7.064 223 HZ3 LYS 30 3HZ LYS 30 -3.946 15.857 -6.784 224 H ILE 31 H ILE 31 -2.550 8.609 -5.204 225 HA ILE 31 HA ILE 31 -3.363 6.457 -6.866 226 HB ILE 31 HB ILE 31 -2.483 6.352 -3.978 227 HG12 ILE 31 1HG1 ILE 31 -0.716 5.779 -6.333 228 HG13 ILE 31 2HG1 ILE 31 -0.956 7.441 -5.803 229 HG21 ILE 31 1HG2 ILE 31 -1.691 4.030 -4.834 230 HG22 ILE 31 2HG2 ILE 31 -3.382 4.264 -4.391 231 HG23 ILE 31 3HG2 ILE 31 -2.905 4.279 -6.089 232 HD11 ILE 31 1HD1 ILE 31 1.035 5.975 -4.911 233 HD12 ILE 31 2HD1 ILE 31 0.206 7.135 -3.872 234 HD13 ILE 31 3HD1 ILE 31 -0.192 5.420 -3.771 235 H ILE 32 H ILE 32 -4.555 7.678 -3.750 236 HA ILE 32 HA ILE 32 -6.447 5.855 -3.078 237 HB ILE 32 HB ILE 32 -6.765 8.857 -2.979 238 HG12 ILE 32 1HG1 ILE 32 -6.024 7.021 -0.712 239 HG13 ILE 32 2HG1 ILE 32 -4.799 7.684 -1.789 240 HG21 ILE 32 1HG2 ILE 32 -8.924 7.744 -2.778 241 HG22 ILE 32 2HG2 ILE 32 -8.284 6.715 -1.498 242 HG23 ILE 32 3HG2 ILE 32 -8.436 8.453 -1.240 243 HD11 ILE 32 1HD1 ILE 32 -4.849 9.108 0.068 244 HD12 ILE 32 2HD1 ILE 32 -5.737 9.965 -1.195 245 HD13 ILE 32 3HD1 ILE 32 -6.611 9.145 0.099 246 H GLY 33 H GLY 33 -6.842 8.450 -5.474 247 HA2 GLY 33 1HA GLY 33 -8.066 7.911 -7.519 248 HA3 GLY 33 2HA GLY 33 -9.166 6.963 -6.529 249 H ARG 34 H ARG 34 -10.625 8.434 -7.906 250 HA ARG 34 HA ARG 34 -10.873 11.168 -7.348 251 HB2 ARG 34 1HB ARG 34 -12.666 9.071 -8.477 252 HB3 ARG 34 2HB ARG 34 -13.390 10.596 -7.986 253 HG2 ARG 34 1HG ARG 34 -12.926 11.084 -10.153 254 HG3 ARG 34 2HG ARG 34 -11.403 11.588 -9.419 255 HD2 ARG 34 1HD ARG 34 -10.347 9.534 -10.039 256 HD3 ARG 34 2HD ARG 34 -11.882 8.844 -10.564 257 HE ARG 34 HE ARG 34 -11.566 9.855 -12.580 258 HH11 ARG 34 1HH1 ARG 34 -9.662 11.532 -10.196 259 HH12 ARG 34 2HH1 ARG 34 -8.917 12.591 -11.347 260 HH21 ARG 34 1HH2 ARG 34 -10.592 11.243 -14.104 261 HH22 ARG 34 2HH2 ARG 34 -9.447 12.427 -13.569 262 H LYS 35 H LYS 35 -12.873 8.491 -6.091 263 HA LYS 35 HA LYS 35 -13.577 10.197 -3.804 264 HB2 LYS 35 1HB LYS 35 -15.499 8.738 -3.485 265 HB3 LYS 35 2HB LYS 35 -15.464 9.342 -5.136 266 HG2 LYS 35 1HG LYS 35 -15.929 7.164 -5.555 267 HG3 LYS 35 2HG LYS 35 -14.165 7.073 -5.550 268 HD2 LYS 35 1HD LYS 35 -14.962 5.270 -4.217 269 HD3 LYS 35 2HD LYS 35 -14.305 6.479 -3.111 270 HE2 LYS 35 1HE LYS 35 -16.373 7.062 -2.308 271 HE3 LYS 35 2HE LYS 35 -17.201 6.593 -3.791 272 HZ1 LYS 35 1HZ LYS 35 -16.180 4.254 -2.866 273 HZ2 LYS 35 2HZ LYS 35 -17.779 4.773 -2.674 274 HZ3 LYS 35 3HZ LYS 35 -16.648 5.042 -1.443 275 H GLY 36 H GLY 36 -12.268 7.059 -4.706 276 HA2 GLY 36 1HA GLY 36 -10.436 6.447 -3.023 277 HA3 GLY 36 2HA GLY 36 -11.754 6.487 -1.861 278 H ALA 37 H ALA 37 -12.106 5.291 -5.136 279 HA ALA 37 HA ALA 37 -12.875 2.692 -4.065 280 HB1 ALA 37 1HB ALA 37 -13.064 3.765 -6.878 281 HB2 ALA 37 2HB ALA 37 -13.745 2.245 -6.298 282 HB3 ALA 37 3HB ALA 37 -14.356 3.778 -5.678 283 H VAL 38 H VAL 38 -10.737 3.944 -6.632 284 HA VAL 38 HA VAL 38 -9.526 1.715 -7.545 285 HB VAL 38 HB VAL 38 -8.076 4.255 -6.788 286 HG11 VAL 38 1HG1 VAL 38 -6.832 1.991 -7.409 287 HG12 VAL 38 2HG1 VAL 38 -7.203 2.540 -9.044 288 HG13 VAL 38 3HG1 VAL 38 -6.255 3.562 -7.963 289 HG21 VAL 38 1HG2 VAL 38 -8.619 3.938 -9.586 290 HG22 VAL 38 2HG2 VAL 38 -10.118 3.820 -8.665 291 HG23 VAL 38 3HG2 VAL 38 -9.092 5.244 -8.500 292 H ILE 39 H ILE 39 -8.361 3.494 -4.679 293 HA ILE 39 HA ILE 39 -6.404 1.636 -3.933 294 HB ILE 39 HB ILE 39 -6.378 3.854 -2.996 295 HG12 ILE 39 1HG1 ILE 39 -6.185 3.292 -0.558 296 HG13 ILE 39 2HG1 ILE 39 -6.886 1.718 -0.915 297 HG21 ILE 39 1HG2 ILE 39 -8.957 3.120 -1.616 298 HG22 ILE 39 2HG2 ILE 39 -8.054 4.617 -1.392 299 HG23 ILE 39 3HG2 ILE 39 -8.786 4.254 -2.954 300 HD11 ILE 39 1HD1 ILE 39 -5.011 1.022 -2.099 301 HD12 ILE 39 2HD1 ILE 39 -4.418 2.671 -2.313 302 HD13 ILE 39 3HD1 ILE 39 -4.345 1.905 -0.727 303 H THR 40 H THR 40 -9.821 1.875 -3.089 304 HA THR 40 HA THR 40 -9.891 -0.074 -1.080 305 HB THR 40 HB THR 40 -12.064 0.687 -3.041 306 HG1 THR 40 1HG THR 40 -12.673 2.138 -1.466 307 HG21 THR 40 1HG2 THR 40 -13.176 -1.051 -2.171 308 HG22 THR 40 2HG2 THR 40 -13.249 -0.116 -0.676 309 HG23 THR 40 3HG2 THR 40 -11.961 -1.298 -0.916 310 H GLN 41 H GLN 41 -10.457 -0.371 -4.579 311 HA GLN 41 HA GLN 41 -11.105 -3.054 -4.704 312 HB2 GLN 41 1HB GLN 41 -11.285 -1.662 -6.656 313 HB3 GLN 41 2HB GLN 41 -9.554 -1.352 -6.658 314 HG2 GLN 41 1HG GLN 41 -10.572 -4.144 -6.925 315 HG3 GLN 41 2HG GLN 41 -10.563 -3.064 -8.318 316 HE21 GLN 41 1HE2 GLN 41 -8.955 -5.509 -7.212 317 HE22 GLN 41 2HE2 GLN 41 -7.325 -5.079 -7.592 318 H ILE 42 H ILE 42 -7.850 -1.664 -5.168 319 HA ILE 42 HA ILE 42 -6.401 -3.987 -5.381 320 HB ILE 42 HB ILE 42 -5.533 -1.481 -3.933 321 HG12 ILE 42 1HG1 ILE 42 -4.913 -2.202 -6.788 322 HG13 ILE 42 2HG1 ILE 42 -6.391 -1.343 -6.372 323 HG21 ILE 42 1HG2 ILE 42 -3.784 -2.791 -3.401 324 HG22 ILE 42 2HG2 ILE 42 -4.157 -3.978 -4.650 325 HG23 ILE 42 3HG2 ILE 42 -3.297 -2.497 -5.070 326 HD11 ILE 42 1HD1 ILE 42 -5.206 0.528 -5.598 327 HD12 ILE 42 2HD1 ILE 42 -3.680 -0.355 -5.559 328 HD13 ILE 42 3HD1 ILE 42 -4.421 0.057 -7.104 329 H ARG 43 H ARG 43 -7.049 -2.205 -2.359 330 HA ARG 43 HA ARG 43 -5.814 -3.823 -0.544 331 HB2 ARG 43 1HB ARG 43 -8.394 -2.288 -0.367 332 HB3 ARG 43 2HB ARG 43 -7.774 -3.189 1.010 333 HG2 ARG 43 1HG ARG 43 -5.858 -1.834 1.167 334 HG3 ARG 43 2HG ARG 43 -6.132 -1.129 -0.428 335 HD2 ARG 43 1HD ARG 43 -6.795 0.516 1.129 336 HD3 ARG 43 2HD ARG 43 -8.286 -0.188 0.506 337 HE ARG 43 HE ARG 43 -7.359 -1.435 2.919 338 HH11 ARG 43 1HH1 ARG 43 -9.192 1.213 1.599 339 HH12 ARG 43 2HH1 ARG 43 -10.156 1.427 3.022 340 HH21 ARG 43 1HH2 ARG 43 -8.622 -1.165 4.798 341 HH22 ARG 43 2HH2 ARG 43 -9.830 0.074 4.842 342 H LEU 44 H LEU 44 -9.241 -4.163 -1.489 343 HA LEU 44 HA LEU 44 -9.687 -6.582 -0.161 344 HB2 LEU 44 1HB LEU 44 -11.001 -5.297 -2.537 345 HB3 LEU 44 2HB LEU 44 -11.552 -6.842 -1.891 346 HG LEU 44 HG LEU 44 -11.465 -4.261 -0.330 347 HD11 LEU 44 1HD1 LEU 44 -13.630 -5.582 -1.922 348 HD12 LEU 44 2HD1 LEU 44 -13.137 -3.889 -1.898 349 HD13 LEU 44 3HD1 LEU 44 -14.014 -4.570 -0.529 350 HD21 LEU 44 1HD2 LEU 44 -11.355 -5.964 1.242 351 HD22 LEU 44 2HD2 LEU 44 -12.356 -7.054 0.282 352 HD23 LEU 44 3HD2 LEU 44 -13.088 -5.673 1.100 353 H GLU 45 H GLU 45 -8.545 -5.920 -3.437 354 HA GLU 45 HA GLU 45 -8.665 -8.429 -4.561 355 HB2 GLU 45 1HB GLU 45 -7.899 -6.280 -5.655 356 HB3 GLU 45 2HB GLU 45 -6.329 -6.551 -4.911 357 HG2 GLU 45 1HG GLU 45 -6.071 -7.395 -7.050 358 HG3 GLU 45 2HG GLU 45 -6.388 -8.831 -6.079 359 H HIS 46 H HIS 46 -6.145 -7.104 -2.452 360 HA HIS 46 HA HIS 46 -4.880 -9.749 -2.337 361 HB2 HIS 46 1HB HIS 46 -3.835 -7.113 -1.285 362 HB3 HIS 46 2HB HIS 46 -2.942 -8.627 -1.400 363 HD1 HIS 46 1HD HIS 46 -2.574 -9.504 -3.950 364 HD2 HIS 46 2HD HIS 46 -3.606 -5.509 -3.466 365 HE1 HIS 46 1HE HIS 46 -1.957 -8.382 -6.115 366 H ASP 47 H ASP 47 -7.081 -7.891 -0.673 367 HA ASP 47 HA ASP 47 -8.093 -8.120 1.353 368 HB2 ASP 47 1HB ASP 47 -6.359 -10.541 1.837 369 HB3 ASP 47 2HB ASP 47 -7.945 -10.188 2.518 370 H VAL 48 H VAL 48 -5.986 -6.359 1.183 371 HA VAL 48 HA VAL 48 -4.730 -6.629 3.837 372 HB VAL 48 HB VAL 48 -2.818 -5.348 3.026 373 HG11 VAL 48 1HG1 VAL 48 -2.893 -7.848 2.852 374 HG12 VAL 48 2HG1 VAL 48 -3.329 -7.651 1.154 375 HG13 VAL 48 3HG1 VAL 48 -1.774 -7.060 1.739 376 HG21 VAL 48 1HG2 VAL 48 -3.208 -3.988 1.292 377 HG22 VAL 48 2HG2 VAL 48 -2.908 -5.406 0.287 378 HG23 VAL 48 3HG2 VAL 48 -4.560 -4.963 0.714 379 H ASN 49 H ASN 49 -3.859 -4.313 4.499 380 HA ASN 49 HA ASN 49 -6.035 -2.382 4.029 381 HB2 ASN 49 1HB ASN 49 -6.177 -3.408 6.280 382 HB3 ASN 49 2HB ASN 49 -4.549 -2.830 6.627 383 HD21 ASN 49 1HD2 ASN 49 -4.209 -0.670 7.037 384 HD22 ASN 49 2HD2 ASN 49 -5.501 0.439 7.333 385 H ILE 50 H ILE 50 -5.311 -0.640 3.017 386 HA ILE 50 HA ILE 50 -2.521 0.193 3.453 387 HB ILE 50 HB ILE 50 -4.297 0.861 1.104 388 HG12 ILE 50 1HG1 ILE 50 -1.932 -1.010 1.111 389 HG13 ILE 50 2HG1 ILE 50 -3.578 -1.578 1.367 390 HG21 ILE 50 1HG2 ILE 50 -1.911 2.036 2.053 391 HG22 ILE 50 2HG2 ILE 50 -1.506 1.134 0.593 392 HG23 ILE 50 3HG2 ILE 50 -2.766 2.368 0.547 393 HD11 ILE 50 1HD1 ILE 50 -2.386 -1.474 -1.031 394 HD12 ILE 50 2HD1 ILE 50 -4.131 -1.346 -0.798 395 HD13 ILE 50 3HD1 ILE 50 -3.159 0.110 -1.005 396 H GLN 51 H GLN 51 -2.336 1.865 4.782 397 HA GLN 51 HA GLN 51 -4.384 3.980 4.669 398 HB2 GLN 51 1HB GLN 51 -4.141 2.484 6.805 399 HB3 GLN 51 2HB GLN 51 -2.738 3.496 7.125 400 HG2 GLN 51 1HG GLN 51 -4.426 5.448 6.715 401 HG3 GLN 51 2HG GLN 51 -5.626 4.213 7.091 402 HE21 GLN 51 1HE2 GLN 51 -2.880 5.999 8.304 403 HE22 GLN 51 2HE2 GLN 51 -3.190 5.718 9.981 404 H PHE 52 H PHE 52 -3.681 5.928 4.105 405 HA PHE 52 HA PHE 52 -0.809 6.370 3.863 406 HB2 PHE 52 1HB PHE 52 -3.101 8.115 2.938 407 HB3 PHE 52 2HB PHE 52 -1.404 8.304 2.507 408 HD1 PHE 52 2HD PHE 52 -4.389 6.190 2.082 409 HD2 PHE 52 1HD PHE 52 -0.416 7.004 0.788 410 HE1 PHE 52 2HE PHE 52 -4.727 4.725 0.136 411 HE2 PHE 52 1HE PHE 52 -0.748 5.540 -1.161 412 HZ PHE 52 HZ PHE 52 -2.905 4.397 -1.489 413 HA PRO 53 HA PRO 53 -0.428 8.980 7.374 414 HB2 PRO 53 1HB PRO 53 1.514 10.680 6.529 415 HB3 PRO 53 2HB PRO 53 1.832 8.995 6.957 416 HG2 PRO 53 1HG PRO 53 1.458 10.225 4.254 417 HG3 PRO 53 2HG PRO 53 2.650 9.022 4.781 418 HD2 PRO 53 1HD PRO 53 0.411 8.353 3.412 419 HD3 PRO 53 2HD PRO 53 1.149 7.280 4.618 420 H ASP 54 H ASP 54 -0.892 11.060 8.183 421 HA ASP 54 HA ASP 54 -2.533 12.677 6.376 422 HB2 ASP 54 1HB ASP 54 -3.213 11.779 8.768 423 HB3 ASP 54 2HB ASP 54 -2.353 13.219 9.309 424 H LYS 55 H LYS 55 -1.785 14.509 5.558 425 HA LYS 55 HA LYS 55 0.774 15.508 5.997 426 HB2 LYS 55 1HB LYS 55 -1.454 17.310 5.114 427 HB3 LYS 55 2HB LYS 55 0.213 17.255 4.556 428 HG2 LYS 55 1HG LYS 55 -0.513 14.856 3.727 429 HG3 LYS 55 2HG LYS 55 -2.115 15.598 3.755 430 HD2 LYS 55 1HD LYS 55 0.259 16.825 2.365 431 HD3 LYS 55 2HD LYS 55 -0.890 15.753 1.561 432 HE2 LYS 55 1HE LYS 55 -1.645 18.305 2.978 433 HE3 LYS 55 2HE LYS 55 -1.355 18.182 1.243 434 HZ1 LYS 55 1HZ LYS 55 -3.134 16.428 1.236 435 HZ2 LYS 55 2HZ LYS 55 -3.667 18.003 1.547 436 HZ3 LYS 55 3HZ LYS 55 -3.509 16.898 2.818 437 H ASP 56 H ASP 56 -2.326 16.598 7.338 438 HA ASP 56 HA ASP 56 -1.534 18.834 8.719 439 HB2 ASP 56 1HB ASP 56 -3.545 16.713 9.478 440 HB3 ASP 56 2HB ASP 56 -3.350 18.213 10.379 441 H ASP 57 H ASP 57 -1.227 15.454 9.713 442 HA ASP 57 HA ASP 57 -0.393 15.745 12.318 443 HB2 ASP 57 1HB ASP 57 -0.707 13.619 10.773 444 HB3 ASP 57 2HB ASP 57 1.040 13.764 10.603 445 H GLY 58 H GLY 58 1.824 15.401 9.536 446 HA2 GLY 58 1HA GLY 58 3.746 16.668 9.104 447 HA3 GLY 58 2HA GLY 58 3.572 17.427 10.679 448 H ASN 59 H ASN 59 4.134 16.112 12.578 449 HA ASN 59 HA ASN 59 6.646 15.227 12.701 450 HB2 ASN 59 1HB ASN 59 4.216 14.266 14.177 451 HB3 ASN 59 2HB ASN 59 5.788 13.540 14.498 452 HD21 ASN 59 1HD2 ASN 59 7.563 15.179 14.896 453 HD22 ASN 59 2HD2 ASN 59 7.160 16.513 15.917 454 H GLN 60 H GLN 60 3.914 13.268 11.621 455 HA GLN 60 HA GLN 60 5.580 10.947 11.178 456 HB2 GLN 60 1HB GLN 60 2.689 11.471 10.465 457 HB3 GLN 60 2HB GLN 60 3.508 9.923 10.297 458 HG2 GLN 60 1HG GLN 60 3.802 9.760 12.674 459 HG3 GLN 60 2HG GLN 60 3.153 11.382 12.904 460 HE21 GLN 60 1HE2 GLN 60 0.968 11.390 11.312 461 HE22 GLN 60 2HE2 GLN 60 -0.182 10.225 11.861 462 HA PRO 61 HA PRO 61 6.719 11.724 7.011 463 HB2 PRO 61 1HB PRO 61 6.775 9.200 6.013 464 HB3 PRO 61 2HB PRO 61 7.994 9.817 7.135 465 HG2 PRO 61 1HG PRO 61 5.607 8.098 7.690 466 HG3 PRO 61 2HG PRO 61 7.258 7.957 8.320 467 HD2 PRO 61 1HD PRO 61 5.243 9.059 9.753 468 HD3 PRO 61 2HD PRO 61 6.929 9.594 9.908 469 H GLN 62 H GLN 62 5.546 12.515 5.389 470 HA GLN 62 HA GLN 62 2.855 11.514 4.929 471 HB2 GLN 62 1HB GLN 62 4.243 13.820 3.561 472 HB3 GLN 62 2HB GLN 62 2.516 13.487 3.598 473 HG2 GLN 62 1HG GLN 62 4.260 14.377 5.876 474 HG3 GLN 62 2HG GLN 62 2.950 15.269 5.105 475 HE21 GLN 62 1HE2 GLN 62 3.512 14.225 7.906 476 HE22 GLN 62 2HE2 GLN 62 2.040 13.438 8.353 477 H ASP 63 H ASP 63 5.956 11.039 3.689 478 HA ASP 63 HA ASP 63 5.014 10.322 1.018 479 HB2 ASP 63 1HB ASP 63 7.206 10.431 0.307 480 HB3 ASP 63 2HB ASP 63 7.237 11.594 1.629 481 H GLN 64 H GLN 64 5.579 8.891 4.031 482 HA GLN 64 HA GLN 64 6.122 6.248 2.923 483 HB2 GLN 64 1HB GLN 64 6.049 7.353 5.721 484 HB3 GLN 64 2HB GLN 64 6.110 5.622 5.415 485 HG2 GLN 64 1HG GLN 64 8.118 7.349 4.077 486 HG3 GLN 64 2HG GLN 64 8.290 7.051 5.806 487 HE21 GLN 64 1HE2 GLN 64 7.799 5.376 2.729 488 HE22 GLN 64 2HE2 GLN 64 8.717 3.973 3.143 489 H ILE 65 H ILE 65 4.648 4.669 2.738 490 HA ILE 65 HA ILE 65 1.929 5.236 3.720 491 HB ILE 65 HB ILE 65 2.625 3.340 1.485 492 HG12 ILE 65 1HG1 ILE 65 1.576 6.134 1.088 493 HG13 ILE 65 2HG1 ILE 65 3.304 5.801 1.118 494 HG21 ILE 65 1HG2 ILE 65 0.489 2.832 2.248 495 HG22 ILE 65 2HG2 ILE 65 0.098 4.520 2.573 496 HG23 ILE 65 3HG2 ILE 65 0.184 3.940 0.910 497 HD11 ILE 65 1HD1 ILE 65 2.917 5.677 -1.115 498 HD12 ILE 65 2HD1 ILE 65 2.622 3.993 -0.678 499 HD13 ILE 65 3HD1 ILE 65 1.264 5.095 -0.912 500 H THR 66 H THR 66 1.153 3.969 5.265 501 HA THR 66 HA THR 66 2.623 1.583 6.040 502 HB THR 66 HB THR 66 0.125 2.432 7.442 503 HG1 THR 66 1HG THR 66 2.471 3.934 7.196 504 HG21 THR 66 1HG2 THR 66 2.704 1.085 8.112 505 HG22 THR 66 2HG2 THR 66 1.052 0.615 8.513 506 HG23 THR 66 3HG2 THR 66 1.828 1.936 9.384 507 H ILE 67 H ILE 67 1.942 -0.472 5.798 508 HA ILE 67 HA ILE 67 -0.815 -0.977 4.955 509 HB ILE 67 HB ILE 67 1.583 -2.070 3.480 510 HG12 ILE 67 1HG1 ILE 67 -0.565 -0.198 2.470 511 HG13 ILE 67 2HG1 ILE 67 1.010 0.344 3.039 512 HG21 ILE 67 1HG2 ILE 67 -1.036 -2.409 2.264 513 HG22 ILE 67 2HG2 ILE 67 0.253 -3.583 2.524 514 HG23 ILE 67 3HG2 ILE 67 -0.892 -3.232 3.817 515 HD11 ILE 67 1HD1 ILE 67 2.079 -1.001 1.286 516 HD12 ILE 67 2HD1 ILE 67 0.482 -1.469 0.697 517 HD13 ILE 67 3HD1 ILE 67 0.986 0.220 0.634 518 H THR 68 H THR 68 -1.654 -2.534 6.160 519 HA THR 68 HA THR 68 0.160 -4.404 7.519 520 HB THR 68 HB THR 68 -2.748 -3.934 8.179 521 HG1 THR 68 1HG THR 68 -0.413 -2.607 9.117 522 HG21 THR 68 1HG2 THR 68 -2.006 -5.947 9.159 523 HG22 THR 68 2HG2 THR 68 -1.888 -4.742 10.442 524 HG23 THR 68 3HG2 THR 68 -0.439 -5.258 9.581 525 H GLY 69 H GLY 69 -0.394 -6.645 7.657 526 HA2 GLY 69 1HA GLY 69 -2.251 -8.246 6.864 527 HA3 GLY 69 2HA GLY 69 -1.887 -7.557 5.289 528 H TYR 70 H TYR 70 -1.608 -10.048 5.089 529 HA TYR 70 HA TYR 70 0.635 -11.347 6.128 530 HB2 TYR 70 1HB TYR 70 -0.774 -11.784 3.487 531 HB3 TYR 70 2HB TYR 70 0.385 -12.899 4.202 532 HD1 TYR 70 2HD TYR 70 -0.208 -13.604 6.703 533 HD2 TYR 70 1HD TYR 70 -3.018 -12.188 3.838 534 HE1 TYR 70 2HE TYR 70 -2.023 -14.695 7.954 535 HE2 TYR 70 1HE TYR 70 -4.840 -13.275 5.082 536 HH TYR 70 HH TYR 70 -4.263 -14.851 8.185 537 H GLU 71 H GLU 71 2.723 -10.971 5.856 538 HA GLU 71 HA GLU 71 3.977 -9.040 4.513 539 HB2 GLU 71 1HB GLU 71 5.248 -10.507 5.908 540 HB3 GLU 71 2HB GLU 71 4.915 -11.886 4.869 541 HG2 GLU 71 1HG GLU 71 6.243 -10.851 3.087 542 HG3 GLU 71 2HG GLU 71 6.599 -9.495 4.156 543 H LYS 72 H LYS 72 2.907 -12.074 3.070 544 HA LYS 72 HA LYS 72 4.080 -11.639 0.523 545 HB2 LYS 72 1HB LYS 72 2.052 -13.499 1.657 546 HB3 LYS 72 2HB LYS 72 2.083 -13.304 -0.090 547 HG2 LYS 72 1HG LYS 72 4.593 -13.905 1.421 548 HG3 LYS 72 2HG LYS 72 3.465 -15.191 0.984 549 HD2 LYS 72 1HD LYS 72 3.791 -14.865 -1.301 550 HD3 LYS 72 2HD LYS 72 4.442 -13.241 -1.073 551 HE2 LYS 72 1HE LYS 72 5.842 -15.693 -0.041 552 HE3 LYS 72 2HE LYS 72 6.095 -15.085 -1.676 553 HZ1 LYS 72 1HZ LYS 72 7.109 -13.183 -0.908 554 HZ2 LYS 72 2HZ LYS 72 7.657 -14.327 0.212 555 HZ3 LYS 72 3HZ LYS 72 6.398 -13.274 0.625 556 H ASN 73 H ASN 73 0.646 -11.487 1.496 557 HA ASN 73 HA ASN 73 -0.359 -10.363 -0.818 558 HB2 ASN 73 1HB ASN 73 -1.247 -10.114 2.053 559 HB3 ASN 73 2HB ASN 73 -2.158 -9.398 0.726 560 HD21 ASN 73 1HD2 ASN 73 -3.766 -10.909 1.748 561 HD22 ASN 73 2HD2 ASN 73 -3.842 -12.513 1.107 562 H THR 74 H THR 74 0.554 -8.603 2.149 563 HA THR 74 HA THR 74 0.138 -6.032 1.428 564 HB THR 74 HB THR 74 2.118 -5.388 2.796 565 HG1 THR 74 1HG THR 74 2.520 -8.165 3.217 566 HG21 THR 74 1HG2 THR 74 1.248 -7.200 4.717 567 HG22 THR 74 2HG2 THR 74 -0.126 -7.025 3.626 568 HG23 THR 74 3HG2 THR 74 0.574 -5.602 4.398 569 H GLU 75 H GLU 75 3.072 -7.887 0.631 570 HA GLU 75 HA GLU 75 4.371 -5.868 -0.811 571 HB2 GLU 75 1HB GLU 75 4.539 -8.874 -0.993 572 HB3 GLU 75 2HB GLU 75 5.581 -7.804 -1.919 573 HG2 GLU 75 1HG GLU 75 5.390 -7.621 1.066 574 HG3 GLU 75 2HG GLU 75 6.481 -8.752 0.268 575 H ALA 76 H ALA 76 2.022 -8.298 -1.816 576 HA ALA 76 HA ALA 76 2.200 -7.874 -4.592 577 HB1 ALA 76 1HB ALA 76 0.982 -9.734 -4.349 578 HB2 ALA 76 2HB ALA 76 0.390 -9.252 -2.759 579 HB3 ALA 76 3HB ALA 76 -0.396 -8.642 -4.214 580 H ALA 77 H ALA 77 0.516 -6.162 -2.058 581 HA ALA 77 HA ALA 77 -1.050 -4.592 -3.928 582 HB1 ALA 77 1HB ALA 77 -0.833 -3.940 -1.023 583 HB2 ALA 77 2HB ALA 77 -2.212 -3.782 -2.111 584 HB3 ALA 77 3HB ALA 77 -1.722 -5.375 -1.533 585 H ARG 78 H ARG 78 1.729 -4.165 -1.787 586 HA ARG 78 HA ARG 78 2.038 -1.395 -2.096 587 HB2 ARG 78 1HB ARG 78 4.035 -1.634 -0.976 588 HB3 ARG 78 2HB ARG 78 3.226 -3.124 -0.510 589 HG2 ARG 78 1HG ARG 78 5.248 -3.970 -1.093 590 HG3 ARG 78 2HG ARG 78 4.454 -4.037 -2.667 591 HD2 ARG 78 1HD ARG 78 5.424 -1.596 -2.877 592 HD3 ARG 78 2HD ARG 78 6.568 -2.190 -1.676 593 HE ARG 78 HE ARG 78 6.229 -3.884 -3.994 594 HH11 ARG 78 1HH1 ARG 78 8.023 -1.290 -2.521 595 HH12 ARG 78 2HH1 ARG 78 9.423 -1.517 -3.517 596 HH21 ARG 78 1HH2 ARG 78 8.065 -4.195 -5.311 597 HH22 ARG 78 2HH2 ARG 78 9.445 -3.169 -5.104 598 H ASP 79 H ASP 79 2.729 -4.018 -4.222 599 HA ASP 79 HA ASP 79 4.697 -2.759 -5.830 600 HB2 ASP 79 1HB ASP 79 4.228 -5.222 -5.782 601 HB3 ASP 79 2HB ASP 79 2.740 -4.904 -6.671 602 H ALA 80 H ALA 80 1.197 -2.725 -5.814 603 HA ALA 80 HA ALA 80 0.820 -1.590 -8.379 604 HB1 ALA 80 1HB ALA 80 -1.360 -0.752 -7.007 605 HB2 ALA 80 2HB ALA 80 -1.185 -2.358 -7.714 606 HB3 ALA 80 3HB ALA 80 -0.832 -2.104 -6.005 607 H ILE 81 H ILE 81 0.690 -0.081 -5.145 608 HA ILE 81 HA ILE 81 0.278 2.518 -5.749 609 HB ILE 81 HB ILE 81 2.345 1.529 -3.781 610 HG12 ILE 81 1HG1 ILE 81 -0.584 2.187 -3.403 611 HG13 ILE 81 2HG1 ILE 81 0.102 0.566 -3.430 612 HG21 ILE 81 1HG2 ILE 81 2.709 3.635 -3.173 613 HG22 ILE 81 2HG2 ILE 81 1.810 4.137 -4.603 614 HG23 ILE 81 3HG2 ILE 81 0.980 3.961 -3.058 615 HD11 ILE 81 1HD1 ILE 81 1.288 2.423 -1.483 616 HD12 ILE 81 2HD1 ILE 81 -0.385 1.950 -1.187 617 HD13 ILE 81 3HD1 ILE 81 0.869 0.718 -1.325 618 H LEU 82 H LEU 82 3.296 0.756 -6.189 619 HA LEU 82 HA LEU 82 4.733 3.105 -7.057 620 HB2 LEU 82 1HB LEU 82 5.568 0.225 -7.316 621 HB3 LEU 82 2HB LEU 82 6.604 1.650 -7.364 622 HG LEU 82 HG LEU 82 5.082 0.751 -4.921 623 HD11 LEU 82 1HD1 LEU 82 6.657 -0.963 -5.387 624 HD12 LEU 82 2HD1 LEU 82 7.356 0.048 -4.122 625 HD13 LEU 82 3HD1 LEU 82 7.914 0.208 -5.787 626 HD21 LEU 82 1HD2 LEU 82 5.567 2.848 -4.303 627 HD22 LEU 82 2HD2 LEU 82 6.737 3.065 -5.604 628 HD23 LEU 82 3HD2 LEU 82 7.216 2.250 -4.115 629 H ARG 83 H ARG 83 3.573 0.105 -8.580 630 HA ARG 83 HA ARG 83 4.406 0.428 -11.149 631 HB2 ARG 83 1HB ARG 83 1.947 -0.749 -9.946 632 HB3 ARG 83 2HB ARG 83 1.992 -0.545 -11.692 633 HG2 ARG 83 1HG ARG 83 3.941 -1.930 -11.864 634 HG3 ARG 83 2HG ARG 83 4.083 -2.017 -10.108 635 HD2 ARG 83 1HD ARG 83 3.040 -4.011 -10.542 636 HD3 ARG 83 2HD ARG 83 1.644 -2.968 -10.275 637 HE ARG 83 HE ARG 83 2.403 -3.038 -13.019 638 HH11 ARG 83 1HH1 ARG 83 0.726 -4.813 -10.538 639 HH12 ARG 83 2HH1 ARG 83 -0.306 -5.649 -11.650 640 HH21 ARG 83 1HH2 ARG 83 1.051 -4.133 -14.495 641 HH22 ARG 83 2HH2 ARG 83 -0.120 -5.263 -13.901 642 H ILE 84 H ILE 84 1.961 2.266 -9.488 643 HA ILE 84 HA ILE 84 0.959 3.510 -11.898 644 HB ILE 84 HB ILE 84 0.445 4.320 -9.035 645 HG12 ILE 84 1HG1 ILE 84 -1.497 2.715 -10.639 646 HG13 ILE 84 2HG1 ILE 84 -0.138 1.881 -9.892 647 HG21 ILE 84 1HG2 ILE 84 -0.118 5.710 -11.283 648 HG22 ILE 84 2HG2 ILE 84 -1.581 4.740 -11.124 649 HG23 ILE 84 3HG2 ILE 84 -1.073 5.794 -9.804 650 HD11 ILE 84 1HD1 ILE 84 -1.331 3.608 -7.968 651 HD12 ILE 84 2HD1 ILE 84 -2.585 2.624 -8.724 652 HD13 ILE 84 3HD1 ILE 84 -1.199 1.849 -7.958 653 H VAL 85 H VAL 85 2.395 4.877 -8.929 654 HA VAL 85 HA VAL 85 2.928 7.397 -9.596 655 HB VAL 85 HB VAL 85 4.807 5.467 -8.247 656 HG11 VAL 85 1HG1 VAL 85 5.702 7.854 -7.401 657 HG12 VAL 85 2HG1 VAL 85 6.411 6.977 -8.758 658 HG13 VAL 85 3HG1 VAL 85 5.251 8.272 -9.053 659 HG21 VAL 85 1HG2 VAL 85 2.478 6.856 -7.442 660 HG22 VAL 85 2HG2 VAL 85 3.544 5.849 -6.460 661 HG23 VAL 85 3HG2 VAL 85 3.844 7.582 -6.596 662 H GLY 86 H GLY 86 4.635 4.609 -10.904 663 HA2 GLY 86 1HA GLY 86 6.727 5.958 -12.198 664 HA3 GLY 86 2HA GLY 86 6.077 4.396 -12.675 665 H GLU 87 H GLU 87 3.531 5.002 -13.440 666 HA GLU 87 HA GLU 87 3.960 6.126 -16.017 667 HB2 GLU 87 1HB GLU 87 1.770 5.497 -16.507 668 HB3 GLU 87 2HB GLU 87 2.254 4.328 -15.287 669 HG2 GLU 87 1HG GLU 87 1.010 5.434 -13.604 670 HG3 GLU 87 2HG GLU 87 0.733 6.835 -14.637 671 H LEU 88 H LEU 88 2.390 7.281 -13.070 672 HA LEU 88 HA LEU 88 1.209 9.597 -14.032 673 HB2 LEU 88 1HB LEU 88 2.576 9.403 -11.361 674 HB3 LEU 88 2HB LEU 88 1.180 10.387 -11.797 675 HG LEU 88 HG LEU 88 1.267 7.396 -11.431 676 HD11 LEU 88 1HD1 LEU 88 -0.315 9.518 -9.991 677 HD12 LEU 88 2HD1 LEU 88 1.179 8.800 -9.390 678 HD13 LEU 88 3HD1 LEU 88 -0.252 7.796 -9.615 679 HD21 LEU 88 1HD2 LEU 88 -1.025 7.310 -12.070 680 HD22 LEU 88 2HD2 LEU 88 -0.149 8.123 -13.367 681 HD23 LEU 88 3HD2 LEU 88 -1.111 9.064 -12.227 682 H GLU 89 H GLU 89 4.416 9.347 -12.480 683 HA GLU 89 HA GLU 89 5.382 11.836 -12.658 684 HB2 GLU 89 1HB GLU 89 6.560 9.522 -12.138 685 HB3 GLU 89 2HB GLU 89 7.158 9.716 -13.780 686 HG2 GLU 89 1HG GLU 89 7.472 11.799 -11.636 687 HG3 GLU 89 2HG GLU 89 8.676 10.559 -11.988 688 H GLN 90 H GLN 90 5.247 9.581 -15.398 689 HA GLN 90 HA GLN 90 6.313 11.475 -17.258 690 HB2 GLN 90 1HB GLN 90 6.609 9.105 -17.656 691 HB3 GLN 90 2HB GLN 90 4.869 8.854 -17.676 692 HG2 GLN 90 1HG GLN 90 4.990 10.616 -19.634 693 HG3 GLN 90 2HG GLN 90 6.645 10.021 -19.746 694 HE21 GLN 90 1HE2 GLN 90 6.790 7.561 -19.693 695 HE22 GLN 90 2HE2 GLN 90 5.656 6.714 -20.682 696 H MET 91 H MET 91 3.081 10.356 -16.390 697 HA MET 91 HA MET 91 1.476 11.317 -18.327 698 HB2 MET 91 1HB MET 91 0.968 10.383 -15.901 699 HB3 MET 91 2HB MET 91 0.734 12.089 -15.542 700 HG2 MET 91 1HG MET 91 -0.637 10.905 -17.903 701 HG3 MET 91 2HG MET 91 -1.265 10.583 -16.289 702 HE1 MET 91 1HE MET 91 -3.351 11.535 -16.170 703 HE2 MET 91 2HE MET 91 -2.689 12.505 -14.854 704 HE3 MET 91 3HE MET 91 -3.720 13.258 -16.073 705 H SER 92 H SER 92 0.977 13.208 -19.246 706 HA SER 92 HA SER 92 0.923 15.437 -19.709 707 HB2 SER 92 1HB SER 92 -0.146 15.486 -17.397 708 HB3 SER 92 2HB SER 92 1.440 15.943 -16.776 709 HG SER 92 HG SER 92 -0.385 17.414 -18.242 710 H GLY 93 H GLY 93 3.445 13.885 -19.630 711 HA2 GLY 93 1HA GLY 93 5.338 16.113 -19.203 712 HA3 GLY 93 2HA GLY 93 5.767 14.415 -19.049 713 HA PRO 94 HA PRO 94 6.618 16.135 -23.393 714 HB2 PRO 94 1HB PRO 94 9.326 16.198 -23.241 715 HB3 PRO 94 2HB PRO 94 8.308 17.574 -22.803 716 HG2 PRO 94 1HG PRO 94 9.603 15.537 -21.032 717 HG3 PRO 94 2HG PRO 94 9.485 17.294 -20.817 718 HD2 PRO 94 1HD PRO 94 7.856 15.555 -19.529 719 HD3 PRO 94 2HD PRO 94 7.325 17.177 -20.019 720 H SER 95 H SER 95 5.966 14.161 -24.231 721 HA SER 95 HA SER 95 7.772 11.875 -23.958 722 HB2 SER 95 1HB SER 95 5.986 10.515 -24.761 723 HB3 SER 95 2HB SER 95 5.260 11.657 -23.629 724 HG SER 95 HG SER 95 4.742 12.948 -25.523 725 H SER 96 H SER 96 9.311 11.620 -25.421 726 HA SER 96 HA SER 96 9.168 12.956 -27.982 727 HB2 SER 96 1HB SER 96 11.263 12.686 -26.494 728 HB3 SER 96 2HB SER 96 11.343 11.048 -27.142 729 HG SER 96 HG SER 96 11.739 13.499 -28.424 730 H GLY 97 H GLY 97 9.632 11.805 -30.008 731 HA2 GLY 97 1HA GLY 97 9.769 9.405 -30.891 732 HA3 GLY 97 2HA GLY 97 8.249 9.202 -30.032 Start of MODEL 2 1 H1 GLY 1 H GLY 1 13.015 -35.019 18.596 2 HA2 GLY 1 1HA GLY 1 11.641 -34.826 20.486 3 HA3 GLY 1 2HA GLY 1 13.062 -34.465 21.455 4 H SER 2 H SER 2 10.273 -33.185 20.400 5 HA SER 2 HA SER 2 11.373 -30.452 20.293 6 HB2 SER 2 1HB SER 2 10.150 -31.361 18.225 7 HB3 SER 2 2HB SER 2 8.681 -31.246 19.192 8 HG SER 2 HG SER 2 9.601 -29.353 17.792 9 H SER 3 H SER 3 11.315 -30.148 22.528 10 HA SER 3 HA SER 3 8.604 -29.852 23.638 11 HB2 SER 3 1HB SER 3 11.046 -30.905 25.084 12 HB3 SER 3 2HB SER 3 9.503 -30.533 25.851 13 HG SER 3 HG SER 3 8.751 -32.069 24.013 14 H GLY 4 H GLY 4 8.217 -28.032 24.836 15 HA2 GLY 4 1HA GLY 4 9.550 -26.332 26.277 16 HA3 GLY 4 2HA GLY 4 10.337 -25.999 24.742 17 H SER 5 H SER 5 9.588 -23.815 24.965 18 HA SER 5 HA SER 5 6.711 -23.386 24.760 19 HB2 SER 5 1HB SER 5 7.158 -21.082 25.173 20 HB3 SER 5 2HB SER 5 8.221 -21.985 26.252 21 HG SER 5 HG SER 5 8.837 -20.370 24.099 22 H SER 6 H SER 6 7.806 -24.717 22.571 23 HA SER 6 HA SER 6 8.743 -23.452 20.401 24 HB2 SER 6 1HB SER 6 8.055 -25.786 20.321 25 HB3 SER 6 2HB SER 6 6.359 -25.318 20.440 26 HG SER 6 HG SER 6 7.755 -25.627 18.254 27 H GLY 7 H GLY 7 5.254 -23.493 21.171 28 HA2 GLY 7 1HA GLY 7 4.481 -20.977 21.052 29 HA3 GLY 7 2HA GLY 7 4.859 -21.236 19.355 30 H GLU 8 H GLU 8 2.336 -20.493 20.045 31 HA GLU 8 HA GLU 8 0.769 -22.978 19.846 32 HB2 GLU 8 1HB GLU 8 0.244 -21.569 21.803 33 HB3 GLU 8 2HB GLU 8 -0.136 -20.232 20.728 34 HG2 GLU 8 1HG GLU 8 -1.946 -21.585 19.738 35 HG3 GLU 8 2HG GLU 8 -1.595 -22.858 20.906 36 H GLN 9 H GLN 9 0.967 -19.650 18.615 37 HA GLN 9 HA GLN 9 -0.201 -20.610 16.093 38 HB2 GLN 9 1HB GLN 9 -0.859 -18.013 17.493 39 HB3 GLN 9 2HB GLN 9 -1.399 -18.452 15.878 40 HG2 GLN 9 1HG GLN 9 -2.546 -20.427 16.882 41 HG3 GLN 9 2HG GLN 9 -2.137 -19.782 18.470 42 HE21 GLN 9 1HE2 GLN 9 -4.213 -19.566 15.755 43 HE22 GLN 9 2HE2 GLN 9 -5.242 -18.316 16.359 44 H GLU 10 H GLU 10 0.429 -19.434 14.208 45 HA GLU 10 HA GLU 10 2.868 -17.823 14.572 46 HB2 GLU 10 1HB GLU 10 3.827 -18.825 12.601 47 HB3 GLU 10 2HB GLU 10 3.352 -20.103 13.712 48 HG2 GLU 10 1HG GLU 10 1.427 -19.278 11.607 49 HG3 GLU 10 2HG GLU 10 2.827 -20.242 11.140 50 H ASP 11 H ASP 11 -0.204 -18.166 13.092 51 HA ASP 11 HA ASP 11 0.122 -16.385 10.916 52 HB2 ASP 11 1HB ASP 11 -2.461 -16.176 11.226 53 HB3 ASP 11 2HB ASP 11 -1.771 -17.715 10.720 54 H ARG 12 H ARG 12 -0.706 -15.933 14.298 55 HA ARG 12 HA ARG 12 -1.698 -13.356 14.273 56 HB2 ARG 12 1HB ARG 12 -0.976 -13.182 16.581 57 HB3 ARG 12 2HB ARG 12 -1.587 -14.803 16.275 58 HG2 ARG 12 1HG ARG 12 0.704 -15.630 16.076 59 HG3 ARG 12 2HG ARG 12 1.313 -14.003 16.390 60 HD2 ARG 12 1HD ARG 12 -0.113 -14.157 18.548 61 HD3 ARG 12 2HD ARG 12 -0.087 -15.893 18.242 62 HE ARG 12 HE ARG 12 2.537 -14.992 18.093 63 HH11 ARG 12 1HH1 ARG 12 -0.001 -15.229 20.464 64 HH12 ARG 12 2HH1 ARG 12 1.087 -15.397 21.803 65 HH21 ARG 12 1HH2 ARG 12 3.979 -15.211 19.847 66 HH22 ARG 12 2HH2 ARG 12 3.351 -15.386 21.450 67 H ALA 13 H ALA 13 1.524 -14.456 13.683 68 HA ALA 13 HA ALA 13 2.703 -11.825 14.037 69 HB1 ALA 13 1HB ALA 13 4.039 -13.697 14.715 70 HB2 ALA 13 2HB ALA 13 3.879 -14.446 13.127 71 HB3 ALA 13 3HB ALA 13 4.796 -12.950 13.307 72 H LEU 14 H LEU 14 1.759 -13.987 11.423 73 HA LEU 14 HA LEU 14 2.938 -12.545 9.307 74 HB2 LEU 14 1HB LEU 14 0.628 -14.460 9.446 75 HB3 LEU 14 2HB LEU 14 1.139 -13.720 7.929 76 HG LEU 14 HG LEU 14 2.955 -15.395 9.655 77 HD11 LEU 14 1HD1 LEU 14 1.225 -16.200 7.325 78 HD12 LEU 14 2HD1 LEU 14 1.158 -16.819 8.975 79 HD13 LEU 14 3HD1 LEU 14 2.555 -17.170 7.957 80 HD21 LEU 14 1HD2 LEU 14 3.133 -14.192 6.915 81 HD22 LEU 14 2HD2 LEU 14 4.101 -15.596 7.365 82 HD23 LEU 14 3HD2 LEU 14 4.277 -14.082 8.252 83 H ARG 15 H ARG 15 -0.375 -12.506 10.606 84 HA ARG 15 HA ARG 15 -1.317 -10.486 8.862 85 HB2 ARG 15 1HB ARG 15 -3.263 -10.398 10.271 86 HB3 ARG 15 2HB ARG 15 -2.769 -12.079 10.119 87 HG2 ARG 15 1HG ARG 15 -2.142 -12.242 12.306 88 HG3 ARG 15 2HG ARG 15 -1.754 -10.525 12.436 89 HD2 ARG 15 1HD ARG 15 -4.249 -10.102 12.206 90 HD3 ARG 15 2HD ARG 15 -4.461 -11.834 12.465 91 HE ARG 15 HE ARG 15 -2.866 -10.554 14.483 92 HH11 ARG 15 1HH1 ARG 15 -6.102 -11.330 13.460 93 HH12 ARG 15 2HH1 ARG 15 -6.766 -11.251 15.058 94 HH21 ARG 15 1HH2 ARG 15 -3.729 -10.448 16.592 95 HH22 ARG 15 2HH2 ARG 15 -5.415 -10.748 16.839 96 H SER 16 H SER 16 0.469 -10.421 11.829 97 HA SER 16 HA SER 16 -0.067 -7.610 12.315 98 HB2 SER 16 1HB SER 16 0.215 -9.269 14.181 99 HB3 SER 16 2HB SER 16 1.912 -9.413 13.725 100 HG SER 16 HG SER 16 1.851 -7.878 15.291 101 H PHE 17 H PHE 17 1.308 -8.546 9.844 102 HA PHE 17 HA PHE 17 4.012 -7.526 10.141 103 HB2 PHE 17 1HB PHE 17 4.050 -9.310 8.672 104 HB3 PHE 17 2HB PHE 17 2.485 -8.905 7.974 105 HD1 PHE 17 2HD PHE 17 2.339 -6.909 6.432 106 HD2 PHE 17 1HD PHE 17 6.037 -8.626 7.654 107 HE1 PHE 17 2HE PHE 17 3.466 -5.825 4.532 108 HE2 PHE 17 1HE PHE 17 7.170 -7.544 5.758 109 HZ PHE 17 HZ PHE 17 5.884 -6.142 4.193 110 H LYS 18 H LYS 18 4.586 -5.491 9.780 111 HA LYS 18 HA LYS 18 2.680 -3.730 8.387 112 HB2 LYS 18 1HB LYS 18 3.216 -3.273 10.828 113 HB3 LYS 18 2HB LYS 18 4.843 -2.860 10.302 114 HG2 LYS 18 1HG LYS 18 4.111 -0.978 9.124 115 HG3 LYS 18 2HG LYS 18 2.430 -1.515 9.138 116 HD2 LYS 18 1HD LYS 18 3.843 -0.976 11.717 117 HD3 LYS 18 2HD LYS 18 3.211 0.369 10.765 118 HE2 LYS 18 1HE LYS 18 1.413 -0.084 12.119 119 HE3 LYS 18 2HE LYS 18 1.035 -1.091 10.721 120 HZ1 LYS 18 1HZ LYS 18 2.560 -2.195 12.990 121 HZ2 LYS 18 2HZ LYS 18 1.625 -3.009 11.841 122 HZ3 LYS 18 3HZ LYS 18 0.871 -2.108 13.057 123 H LEU 19 H LEU 19 3.291 -2.766 6.555 124 HA LEU 19 HA LEU 19 6.144 -2.881 5.824 125 HB2 LEU 19 1HB LEU 19 4.942 -4.335 4.387 126 HB3 LEU 19 2HB LEU 19 3.670 -3.142 4.136 127 HG LEU 19 HG LEU 19 5.523 -1.737 3.010 128 HD11 LEU 19 1HD1 LEU 19 7.478 -2.902 3.588 129 HD12 LEU 19 2HD1 LEU 19 7.204 -3.275 1.886 130 HD13 LEU 19 3HD1 LEU 19 6.788 -4.458 3.126 131 HD21 LEU 19 1HD2 LEU 19 3.661 -3.608 2.080 132 HD22 LEU 19 2HD2 LEU 19 5.144 -3.915 1.174 133 HD23 LEU 19 3HD2 LEU 19 4.423 -2.304 1.167 134 H SER 20 H SER 20 7.006 -1.130 4.616 135 HA SER 20 HA SER 20 5.419 1.347 4.762 136 HB2 SER 20 1HB SER 20 7.153 2.535 5.711 137 HB3 SER 20 2HB SER 20 7.439 0.952 6.434 138 HG SER 20 HG SER 20 8.917 0.580 4.653 139 H VAL 21 H VAL 21 5.049 2.126 2.804 140 HA VAL 21 HA VAL 21 6.873 1.451 0.615 141 HB VAL 21 HB VAL 21 4.275 2.904 0.248 142 HG11 VAL 21 1HG1 VAL 21 6.043 1.151 -1.420 143 HG12 VAL 21 2HG1 VAL 21 4.355 1.424 -1.854 144 HG13 VAL 21 3HG1 VAL 21 5.471 2.786 -1.749 145 HG21 VAL 21 1HG2 VAL 21 3.696 1.029 1.653 146 HG22 VAL 21 2HG2 VAL 21 3.158 0.708 0.004 147 HG23 VAL 21 3HG2 VAL 21 4.615 -0.069 0.623 148 H THR 22 H THR 22 8.162 2.906 -0.326 149 HA THR 22 HA THR 22 8.131 5.640 0.694 150 HB THR 22 HB THR 22 10.168 4.373 -1.145 151 HG1 THR 22 1HG THR 22 10.696 3.282 0.591 152 HG21 THR 22 1HG2 THR 22 11.589 6.194 0.030 153 HG22 THR 22 2HG2 THR 22 10.033 6.926 0.423 154 HG23 THR 22 3HG2 THR 22 10.490 6.677 -1.262 155 H VAL 23 H VAL 23 6.547 6.740 -0.374 156 HA VAL 23 HA VAL 23 7.011 7.215 -3.222 157 HB VAL 23 HB VAL 23 4.318 6.456 -2.083 158 HG11 VAL 23 1HG1 VAL 23 4.118 8.288 -3.684 159 HG12 VAL 23 2HG1 VAL 23 5.040 7.361 -4.869 160 HG13 VAL 23 3HG1 VAL 23 3.455 6.792 -4.343 161 HG21 VAL 23 1HG2 VAL 23 5.893 4.587 -2.575 162 HG22 VAL 23 2HG2 VAL 23 4.418 4.554 -3.542 163 HG23 VAL 23 3HG2 VAL 23 5.928 5.122 -4.255 164 H ASP 24 H ASP 24 6.971 9.317 -3.667 165 HA ASP 24 HA ASP 24 6.800 11.344 -1.867 166 HB2 ASP 24 1HB ASP 24 6.072 11.352 -4.796 167 HB3 ASP 24 2HB ASP 24 6.163 12.823 -3.832 168 HA PRO 25 HA PRO 25 2.606 11.712 -0.591 169 HB2 PRO 25 1HB PRO 25 2.622 14.307 0.209 170 HB3 PRO 25 2HB PRO 25 3.400 13.014 1.128 171 HG2 PRO 25 1HG PRO 25 4.617 14.993 -0.758 172 HG3 PRO 25 2HG PRO 25 5.213 14.438 0.816 173 HD2 PRO 25 1HD PRO 25 6.181 13.484 -1.526 174 HD3 PRO 25 2HD PRO 25 6.082 12.490 -0.059 175 H LYS 26 H LYS 26 3.875 13.221 -3.296 176 HA LYS 26 HA LYS 26 1.627 14.903 -3.932 177 HB2 LYS 26 1HB LYS 26 2.775 15.437 -5.928 178 HB3 LYS 26 2HB LYS 26 4.024 15.265 -4.702 179 HG2 LYS 26 1HG LYS 26 4.767 13.235 -5.568 180 HG3 LYS 26 2HG LYS 26 3.278 12.974 -6.479 181 HD2 LYS 26 1HD LYS 26 4.745 13.619 -8.143 182 HD3 LYS 26 2HD LYS 26 3.978 15.153 -7.724 183 HE2 LYS 26 1HE LYS 26 6.526 14.257 -6.414 184 HE3 LYS 26 2HE LYS 26 6.535 15.100 -7.962 185 HZ1 LYS 26 1HZ LYS 26 4.883 16.435 -6.070 186 HZ2 LYS 26 2HZ LYS 26 6.201 17.028 -6.947 187 HZ3 LYS 26 3HZ LYS 26 6.454 16.247 -5.469 188 H TYR 27 H TYR 27 2.497 11.599 -4.396 189 HA TYR 27 HA TYR 27 0.388 11.234 -6.400 190 HB2 TYR 27 1HB TYR 27 2.527 9.317 -5.451 191 HB3 TYR 27 2HB TYR 27 1.352 8.986 -6.718 192 HD1 TYR 27 2HD TYR 27 1.393 11.627 -8.127 193 HD2 TYR 27 1HD TYR 27 4.559 9.215 -6.622 194 HE1 TYR 27 2HE TYR 27 2.917 12.594 -9.798 195 HE2 TYR 27 1HE TYR 27 6.091 10.176 -8.288 196 HH TYR 27 HH TYR 27 6.355 11.739 -9.863 197 H HIS 28 H HIS 28 1.002 10.884 -3.084 198 HA HIS 28 HA HIS 28 -0.361 8.640 -2.292 199 HB2 HIS 28 1HB HIS 28 0.156 11.295 -1.080 200 HB3 HIS 28 2HB HIS 28 -1.132 10.343 -0.346 201 HD2 HIS 28 2HD HIS 28 1.872 8.289 -1.620 202 HE1 HIS 28 1HE HIS 28 2.252 8.653 2.590 203 HE2 HIS 28 2HE HIS 28 3.176 7.589 0.502 204 HA PRO 29 HA PRO 29 -4.547 11.042 -2.300 205 HB2 PRO 29 1HB PRO 29 -4.581 13.496 -3.459 206 HB3 PRO 29 2HB PRO 29 -4.220 13.249 -1.747 207 HG2 PRO 29 1HG PRO 29 -2.340 13.679 -4.038 208 HG3 PRO 29 2HG PRO 29 -2.297 14.378 -2.409 209 HD2 PRO 29 1HD PRO 29 -0.735 12.291 -3.140 210 HD3 PRO 29 2HD PRO 29 -1.350 12.490 -1.487 211 H LYS 30 H LYS 30 -2.386 10.678 -4.856 212 HA LYS 30 HA LYS 30 -4.382 10.997 -6.952 213 HB2 LYS 30 1HB LYS 30 -1.452 10.275 -7.013 214 HB3 LYS 30 2HB LYS 30 -2.465 10.306 -8.449 215 HG2 LYS 30 1HG LYS 30 -2.244 12.705 -6.673 216 HG3 LYS 30 2HG LYS 30 -1.027 12.364 -7.905 217 HD2 LYS 30 1HD LYS 30 -2.884 12.256 -9.583 218 HD3 LYS 30 2HD LYS 30 -3.979 12.822 -8.320 219 HE2 LYS 30 1HE LYS 30 -3.394 14.775 -9.439 220 HE3 LYS 30 2HE LYS 30 -2.311 14.764 -8.047 221 HZ1 LYS 30 1HZ LYS 30 -1.628 14.881 -10.744 222 HZ2 LYS 30 2HZ LYS 30 -1.092 13.383 -10.169 223 HZ3 LYS 30 3HZ LYS 30 -0.588 14.810 -9.413 224 H ILE 31 H ILE 31 -2.806 8.494 -5.120 225 HA ILE 31 HA ILE 31 -3.606 6.349 -6.860 226 HB ILE 31 HB ILE 31 -2.677 6.181 -3.992 227 HG12 ILE 31 1HG1 ILE 31 -0.894 5.628 -6.324 228 HG13 ILE 31 2HG1 ILE 31 -1.182 7.303 -5.868 229 HG21 ILE 31 1HG2 ILE 31 -3.774 4.161 -4.743 230 HG22 ILE 31 2HG2 ILE 31 -2.780 4.130 -6.198 231 HG23 ILE 31 3HG2 ILE 31 -2.037 3.883 -4.617 232 HD11 ILE 31 1HD1 ILE 31 0.826 5.895 -4.889 233 HD12 ILE 31 2HD1 ILE 31 -0.014 7.117 -3.933 234 HD13 ILE 31 3HD1 ILE 31 -0.408 5.411 -3.727 235 H ILE 32 H ILE 32 -4.775 7.756 -3.839 236 HA ILE 32 HA ILE 32 -6.664 5.926 -3.061 237 HB ILE 32 HB ILE 32 -6.796 8.936 -2.964 238 HG12 ILE 32 1HG1 ILE 32 -6.291 6.930 -0.761 239 HG13 ILE 32 2HG1 ILE 32 -5.006 7.710 -1.678 240 HG21 ILE 32 1HG2 ILE 32 -9.063 7.986 -2.912 241 HG22 ILE 32 2HG2 ILE 32 -8.592 6.971 -1.550 242 HG23 ILE 32 3HG2 ILE 32 -8.615 8.725 -1.375 243 HD11 ILE 32 1HD1 ILE 32 -5.226 9.653 -0.576 244 HD12 ILE 32 2HD1 ILE 32 -6.982 9.518 -0.470 245 HD13 ILE 32 3HD1 ILE 32 -5.959 8.627 0.657 246 H GLY 33 H GLY 33 -7.263 8.698 -5.235 247 HA2 GLY 33 1HA GLY 33 -8.471 8.231 -7.328 248 HA3 GLY 33 2HA GLY 33 -9.489 7.141 -6.399 249 H ARG 34 H ARG 34 -10.865 8.848 -7.812 250 HA ARG 34 HA ARG 34 -11.321 11.424 -7.013 251 HB2 ARG 34 1HB ARG 34 -13.050 9.288 -8.153 252 HB3 ARG 34 2HB ARG 34 -13.847 10.722 -7.520 253 HG2 ARG 34 1HG ARG 34 -12.021 11.941 -8.997 254 HG3 ARG 34 2HG ARG 34 -12.080 10.414 -9.879 255 HD2 ARG 34 1HD ARG 34 -13.637 12.057 -10.813 256 HD3 ARG 34 2HD ARG 34 -14.483 10.652 -10.166 257 HE ARG 34 HE ARG 34 -14.249 12.855 -8.322 258 HH11 ARG 34 1HH1 ARG 34 -16.148 11.391 -10.846 259 HH12 ARG 34 2HH1 ARG 34 -17.623 12.160 -10.363 260 HH21 ARG 34 1HH2 ARG 34 -16.186 13.874 -7.675 261 HH22 ARG 34 2HH2 ARG 34 -17.643 13.572 -8.559 262 H LYS 35 H LYS 35 -13.284 8.686 -5.836 263 HA LYS 35 HA LYS 35 -13.834 10.225 -3.398 264 HB2 LYS 35 1HB LYS 35 -15.777 9.427 -4.710 265 HB3 LYS 35 2HB LYS 35 -15.234 7.770 -4.475 266 HG2 LYS 35 1HG LYS 35 -15.506 8.048 -2.046 267 HG3 LYS 35 2HG LYS 35 -16.112 9.683 -2.320 268 HD2 LYS 35 1HD LYS 35 -18.061 8.909 -3.358 269 HD3 LYS 35 2HD LYS 35 -17.378 7.307 -3.648 270 HE2 LYS 35 1HE LYS 35 -17.752 8.311 -0.854 271 HE3 LYS 35 2HE LYS 35 -19.117 7.640 -1.746 272 HZ1 LYS 35 1HZ LYS 35 -17.354 5.739 -2.176 273 HZ2 LYS 35 2HZ LYS 35 -18.337 5.753 -0.801 274 HZ3 LYS 35 3HZ LYS 35 -16.740 6.304 -0.704 275 H GLY 36 H GLY 36 -12.407 7.268 -4.581 276 HA2 GLY 36 1HA GLY 36 -10.548 6.533 -3.025 277 HA3 GLY 36 2HA GLY 36 -11.806 6.479 -1.799 278 H ALA 37 H ALA 37 -12.443 5.508 -5.083 279 HA ALA 37 HA ALA 37 -13.118 2.845 -4.164 280 HB1 ALA 37 1HB ALA 37 -14.564 4.139 -5.733 281 HB2 ALA 37 2HB ALA 37 -13.313 3.945 -6.961 282 HB3 ALA 37 3HB ALA 37 -14.131 2.528 -6.304 283 H VAL 38 H VAL 38 -10.915 4.296 -6.549 284 HA VAL 38 HA VAL 38 -9.757 2.118 -7.681 285 HB VAL 38 HB VAL 38 -8.290 4.574 -6.709 286 HG11 VAL 38 1HG1 VAL 38 -6.491 3.340 -7.278 287 HG12 VAL 38 2HG1 VAL 38 -7.439 2.217 -8.255 288 HG13 VAL 38 3HG1 VAL 38 -6.962 3.780 -8.919 289 HG21 VAL 38 1HG2 VAL 38 -8.732 5.540 -8.823 290 HG22 VAL 38 2HG2 VAL 38 -9.354 4.021 -9.469 291 HG23 VAL 38 3HG2 VAL 38 -10.271 4.901 -8.245 292 H ILE 39 H ILE 39 -8.495 3.656 -4.715 293 HA ILE 39 HA ILE 39 -6.572 1.764 -4.096 294 HB ILE 39 HB ILE 39 -6.749 3.913 -2.932 295 HG12 ILE 39 1HG1 ILE 39 -6.540 2.935 -0.532 296 HG13 ILE 39 2HG1 ILE 39 -6.752 1.376 -1.320 297 HG21 ILE 39 1HG2 ILE 39 -8.415 4.374 -1.297 298 HG22 ILE 39 2HG2 ILE 39 -9.250 3.848 -2.758 299 HG23 ILE 39 3HG2 ILE 39 -9.060 2.736 -1.402 300 HD11 ILE 39 1HD1 ILE 39 -4.621 3.349 -2.085 301 HD12 ILE 39 2HD1 ILE 39 -4.386 2.044 -0.922 302 HD13 ILE 39 3HD1 ILE 39 -4.774 1.671 -2.601 303 H THR 40 H THR 40 -9.972 1.873 -3.067 304 HA THR 40 HA THR 40 -10.068 -0.276 -1.365 305 HB THR 40 HB THR 40 -12.190 0.365 -3.423 306 HG1 THR 40 1HG THR 40 -12.138 2.221 -2.366 307 HG21 THR 40 1HG2 THR 40 -12.400 -1.785 -2.124 308 HG22 THR 40 2HG2 THR 40 -13.736 -0.652 -1.920 309 HG23 THR 40 3HG2 THR 40 -12.509 -0.806 -0.663 310 H GLN 41 H GLN 41 -10.222 -0.324 -4.906 311 HA GLN 41 HA GLN 41 -10.757 -3.028 -5.278 312 HB2 GLN 41 1HB GLN 41 -10.845 -1.493 -7.131 313 HB3 GLN 41 2HB GLN 41 -9.136 -1.117 -6.962 314 HG2 GLN 41 1HG GLN 41 -9.707 -2.643 -8.852 315 HG3 GLN 41 2HG GLN 41 -8.496 -3.262 -7.730 316 HE21 GLN 41 1HE2 GLN 41 -8.765 -5.396 -7.847 317 HE22 GLN 41 2HE2 GLN 41 -10.248 -6.231 -7.547 318 H ILE 42 H ILE 42 -7.633 -1.379 -4.936 319 HA ILE 42 HA ILE 42 -6.060 -3.719 -5.243 320 HB ILE 42 HB ILE 42 -5.363 -1.114 -3.884 321 HG12 ILE 42 1HG1 ILE 42 -4.473 -1.968 -6.621 322 HG13 ILE 42 2HG1 ILE 42 -6.043 -1.202 -6.398 323 HG21 ILE 42 1HG2 ILE 42 -3.066 -2.305 -4.931 324 HG22 ILE 42 2HG2 ILE 42 -3.500 -2.131 -3.232 325 HG23 ILE 42 3HG2 ILE 42 -3.932 -3.601 -4.105 326 HD11 ILE 42 1HD1 ILE 42 -3.845 0.220 -5.109 327 HD12 ILE 42 2HD1 ILE 42 -3.702 0.103 -6.864 328 HD13 ILE 42 3HD1 ILE 42 -5.142 0.820 -6.142 329 H ARG 43 H ARG 43 -7.296 -1.983 -2.414 330 HA ARG 43 HA ARG 43 -5.995 -3.460 -0.433 331 HB2 ARG 43 1HB ARG 43 -8.643 -2.015 -0.430 332 HB3 ARG 43 2HB ARG 43 -7.965 -2.760 1.011 333 HG2 ARG 43 1HG ARG 43 -6.006 -1.318 0.845 334 HG3 ARG 43 2HG ARG 43 -6.670 -0.580 -0.614 335 HD2 ARG 43 1HD ARG 43 -7.136 0.873 1.225 336 HD3 ARG 43 2HD ARG 43 -8.651 0.119 0.729 337 HE ARG 43 HE ARG 43 -7.243 -0.267 3.228 338 HH11 ARG 43 1HH1 ARG 43 -9.693 -1.434 1.047 339 HH12 ARG 43 2HH1 ARG 43 -10.530 -2.339 2.266 340 HH21 ARG 43 1HH2 ARG 43 -8.337 -1.453 4.841 341 HH22 ARG 43 2HH2 ARG 43 -9.759 -2.349 4.422 342 H LEU 44 H LEU 44 -9.180 -3.968 -1.925 343 HA LEU 44 HA LEU 44 -9.775 -6.312 -0.434 344 HB2 LEU 44 1HB LEU 44 -10.898 -5.088 -2.929 345 HB3 LEU 44 2HB LEU 44 -11.462 -6.652 -2.344 346 HG LEU 44 HG LEU 44 -11.585 -4.098 -0.745 347 HD11 LEU 44 1HD1 LEU 44 -12.986 -4.077 -2.820 348 HD12 LEU 44 2HD1 LEU 44 -13.890 -3.942 -1.312 349 HD13 LEU 44 3HD1 LEU 44 -13.844 -5.478 -2.179 350 HD21 LEU 44 1HD2 LEU 44 -11.748 -5.691 0.863 351 HD22 LEU 44 2HD2 LEU 44 -12.316 -6.927 -0.258 352 HD23 LEU 44 3HD2 LEU 44 -13.429 -5.691 0.330 353 H GLU 45 H GLU 45 -8.356 -5.727 -3.613 354 HA GLU 45 HA GLU 45 -8.345 -8.255 -4.685 355 HB2 GLU 45 1HB GLU 45 -7.498 -6.198 -5.805 356 HB3 GLU 45 2HB GLU 45 -6.047 -6.295 -4.817 357 HG2 GLU 45 1HG GLU 45 -5.334 -7.285 -6.750 358 HG3 GLU 45 2HG GLU 45 -5.862 -8.691 -5.826 359 H HIS 46 H HIS 46 -5.700 -6.860 -2.735 360 HA HIS 46 HA HIS 46 -4.660 -9.546 -2.261 361 HB2 HIS 46 1HB HIS 46 -3.483 -6.919 -1.346 362 HB3 HIS 46 2HB HIS 46 -2.672 -8.480 -1.442 363 HD1 HIS 46 1HD HIS 46 -2.461 -9.435 -4.005 364 HD2 HIS 46 2HD HIS 46 -3.120 -5.360 -3.532 365 HE1 HIS 46 1HE HIS 46 -1.792 -8.387 -6.191 366 H ASP 47 H ASP 47 -7.051 -7.931 -0.947 367 HA ASP 47 HA ASP 47 -8.009 -7.720 1.118 368 HB2 ASP 47 1HB ASP 47 -6.751 -10.417 1.033 369 HB3 ASP 47 2HB ASP 47 -7.376 -9.861 2.583 370 H VAL 48 H VAL 48 -5.933 -6.060 1.067 371 HA VAL 48 HA VAL 48 -4.688 -6.411 3.714 372 HB VAL 48 HB VAL 48 -2.714 -5.171 2.892 373 HG11 VAL 48 1HG1 VAL 48 -2.014 -7.292 2.789 374 HG12 VAL 48 2HG1 VAL 48 -3.517 -7.845 2.047 375 HG13 VAL 48 3HG1 VAL 48 -2.242 -7.146 1.047 376 HG21 VAL 48 1HG2 VAL 48 -4.093 -5.423 0.223 377 HG22 VAL 48 2HG2 VAL 48 -3.678 -3.934 1.072 378 HG23 VAL 48 3HG2 VAL 48 -2.402 -4.969 0.432 379 H ASN 49 H ASN 49 -4.088 -4.380 4.776 380 HA ASN 49 HA ASN 49 -6.089 -2.312 4.226 381 HB2 ASN 49 1HB ASN 49 -6.269 -2.946 6.468 382 HB3 ASN 49 2HB ASN 49 -4.525 -3.101 6.664 383 HD21 ASN 49 1HD2 ASN 49 -3.284 -1.266 7.019 384 HD22 ASN 49 2HD2 ASN 49 -3.983 0.238 7.500 385 H ILE 50 H ILE 50 -5.471 -0.594 3.110 386 HA ILE 50 HA ILE 50 -2.658 0.262 3.273 387 HB ILE 50 HB ILE 50 -4.638 0.774 1.050 388 HG12 ILE 50 1HG1 ILE 50 -2.145 -0.875 0.798 389 HG13 ILE 50 2HG1 ILE 50 -3.614 -1.603 1.442 390 HG21 ILE 50 1HG2 ILE 50 -1.870 1.721 1.592 391 HG22 ILE 50 2HG2 ILE 50 -2.339 1.393 -0.075 392 HG23 ILE 50 3HG2 ILE 50 -3.237 2.576 0.878 393 HD11 ILE 50 1HD1 ILE 50 -4.187 -2.025 -0.653 394 HD12 ILE 50 2HD1 ILE 50 -4.441 -0.291 -0.856 395 HD13 ILE 50 3HD1 ILE 50 -2.889 -1.012 -1.283 396 H GLN 51 H GLN 51 -2.454 1.914 4.635 397 HA GLN 51 HA GLN 51 -4.453 4.075 4.507 398 HB2 GLN 51 1HB GLN 51 -4.212 2.580 6.665 399 HB3 GLN 51 2HB GLN 51 -2.828 3.620 6.973 400 HG2 GLN 51 1HG GLN 51 -4.295 5.584 6.830 401 HG3 GLN 51 2HG GLN 51 -5.675 4.515 6.583 402 HE21 GLN 51 1HE2 GLN 51 -3.439 5.825 8.849 403 HE22 GLN 51 2HE2 GLN 51 -4.165 5.171 10.274 404 H PHE 52 H PHE 52 -3.722 6.095 4.175 405 HA PHE 52 HA PHE 52 -0.836 6.429 3.821 406 HB2 PHE 52 1HB PHE 52 -3.120 8.204 2.933 407 HB3 PHE 52 2HB PHE 52 -1.420 8.444 2.541 408 HD1 PHE 52 1HD PHE 52 -0.250 6.758 1.112 409 HD2 PHE 52 2HD PHE 52 -4.469 6.749 1.675 410 HE1 PHE 52 1HE PHE 52 -0.511 5.352 -0.891 411 HE2 PHE 52 2HE PHE 52 -4.736 5.343 -0.325 412 HZ PHE 52 HZ PHE 52 -2.756 4.642 -1.611 413 HA PRO 53 HA PRO 53 -0.337 8.971 7.366 414 HB2 PRO 53 1HB PRO 53 1.626 10.645 6.519 415 HB3 PRO 53 2HB PRO 53 1.915 8.945 6.911 416 HG2 PRO 53 1HG PRO 53 1.523 10.233 4.237 417 HG3 PRO 53 2HG PRO 53 2.696 8.996 4.722 418 HD2 PRO 53 1HD PRO 53 0.422 8.400 3.379 419 HD3 PRO 53 2HD PRO 53 1.156 7.289 4.553 420 H ASP 54 H ASP 54 -0.416 11.223 8.132 421 HA ASP 54 HA ASP 54 -2.116 12.877 6.386 422 HB2 ASP 54 1HB ASP 54 -2.942 11.922 8.686 423 HB3 ASP 54 2HB ASP 54 -1.998 13.249 9.356 424 H LYS 55 H LYS 55 -1.349 14.771 5.728 425 HA LYS 55 HA LYS 55 1.258 15.636 6.269 426 HB2 LYS 55 1HB LYS 55 -0.852 17.567 5.384 427 HB3 LYS 55 2HB LYS 55 0.819 17.429 4.857 428 HG2 LYS 55 1HG LYS 55 0.048 15.149 3.882 429 HG3 LYS 55 2HG LYS 55 -1.567 15.848 4.015 430 HD2 LYS 55 1HD LYS 55 -1.166 17.425 2.408 431 HD3 LYS 55 2HD LYS 55 0.564 17.491 2.750 432 HE2 LYS 55 1HE LYS 55 0.525 16.431 0.700 433 HE3 LYS 55 2HE LYS 55 0.568 15.063 1.813 434 HZ1 LYS 55 1HZ LYS 55 -2.097 15.642 1.468 435 HZ2 LYS 55 2HZ LYS 55 -1.250 14.340 0.798 436 HZ3 LYS 55 3HZ LYS 55 -1.429 15.774 -0.080 437 H ASP 56 H ASP 56 -1.840 16.595 7.659 438 HA ASP 56 HA ASP 56 -1.068 18.820 9.113 439 HB2 ASP 56 1HB ASP 56 -3.145 16.703 9.577 440 HB3 ASP 56 2HB ASP 56 -2.887 17.971 10.772 441 H ASP 57 H ASP 57 -0.850 15.400 10.012 442 HA ASP 57 HA ASP 57 -0.013 15.621 12.627 443 HB2 ASP 57 1HB ASP 57 -0.412 13.531 11.047 444 HB3 ASP 57 2HB ASP 57 1.341 13.607 10.887 445 H GLY 58 H GLY 58 2.169 15.274 9.818 446 HA2 GLY 58 1HA GLY 58 4.134 16.489 9.415 447 HA3 GLY 58 2HA GLY 58 4.014 17.173 11.031 448 H ASN 59 H ASN 59 4.577 15.770 12.849 449 HA ASN 59 HA ASN 59 7.046 14.757 12.858 450 HB2 ASN 59 1HB ASN 59 4.647 13.701 14.356 451 HB3 ASN 59 2HB ASN 59 6.291 13.161 14.688 452 HD21 ASN 59 1HD2 ASN 59 7.864 15.069 14.965 453 HD22 ASN 59 2HD2 ASN 59 7.314 16.335 16.004 454 H GLN 60 H GLN 60 4.205 13.063 11.675 455 HA GLN 60 HA GLN 60 5.700 10.631 11.166 456 HB2 GLN 60 1HB GLN 60 2.855 11.366 10.456 457 HB3 GLN 60 2HB GLN 60 3.571 9.770 10.285 458 HG2 GLN 60 1HG GLN 60 3.869 9.620 12.688 459 HG3 GLN 60 2HG GLN 60 3.213 11.244 12.884 460 HE21 GLN 60 1HE2 GLN 60 1.066 11.260 11.268 461 HE22 GLN 60 2HE2 GLN 60 -0.096 10.091 11.784 462 HA PRO 61 HA PRO 61 6.892 11.518 7.035 463 HB2 PRO 61 1HB PRO 61 6.840 9.029 5.953 464 HB3 PRO 61 2HB PRO 61 8.083 9.555 7.094 465 HG2 PRO 61 1HG PRO 61 5.622 7.924 7.591 466 HG3 PRO 61 2HG PRO 61 7.265 7.689 8.216 467 HD2 PRO 61 1HD PRO 61 5.298 8.830 9.685 468 HD3 PRO 61 2HD PRO 61 7.005 9.285 9.858 469 H GLN 62 H GLN 62 5.892 12.231 5.249 470 HA GLN 62 HA GLN 62 3.099 11.483 4.839 471 HB2 GLN 62 1HB GLN 62 4.704 13.659 3.488 472 HB3 GLN 62 2HB GLN 62 2.961 13.439 3.407 473 HG2 GLN 62 1HG GLN 62 4.621 14.317 5.744 474 HG3 GLN 62 2HG GLN 62 3.321 15.185 4.931 475 HE21 GLN 62 1HE2 GLN 62 3.953 13.954 7.739 476 HE22 GLN 62 2HE2 GLN 62 2.433 13.263 8.185 477 H ASP 63 H ASP 63 6.202 10.908 3.530 478 HA ASP 63 HA ASP 63 5.160 10.107 0.924 479 HB2 ASP 63 1HB ASP 63 7.377 10.030 0.174 480 HB3 ASP 63 2HB ASP 63 7.384 11.368 1.320 481 H GLN 64 H GLN 64 5.728 8.756 3.959 482 HA GLN 64 HA GLN 64 6.243 6.074 2.944 483 HB2 GLN 64 1HB GLN 64 6.028 7.181 5.744 484 HB3 GLN 64 2HB GLN 64 6.277 5.477 5.391 485 HG2 GLN 64 1HG GLN 64 8.140 7.486 4.227 486 HG3 GLN 64 2HG GLN 64 8.294 7.044 5.926 487 HE21 GLN 64 1HE2 GLN 64 8.321 5.808 2.644 488 HE22 GLN 64 2HE2 GLN 64 9.258 4.397 2.983 489 H ILE 65 H ILE 65 4.781 4.455 2.875 490 HA ILE 65 HA ILE 65 2.038 5.100 3.740 491 HB ILE 65 HB ILE 65 2.584 2.995 1.693 492 HG12 ILE 65 1HG1 ILE 65 2.313 5.932 1.028 493 HG13 ILE 65 2HG1 ILE 65 3.843 5.061 1.020 494 HG21 ILE 65 1HG2 ILE 65 0.346 3.074 2.380 495 HG22 ILE 65 2HG2 ILE 65 0.316 4.836 2.376 496 HG23 ILE 65 3HG2 ILE 65 0.372 3.952 0.851 497 HD11 ILE 65 1HD1 ILE 65 1.829 3.716 -0.558 498 HD12 ILE 65 2HD1 ILE 65 2.109 5.370 -1.101 499 HD13 ILE 65 3HD1 ILE 65 3.455 4.235 -0.999 500 H THR 66 H THR 66 1.128 3.845 5.232 501 HA THR 66 HA THR 66 2.588 1.502 6.170 502 HB THR 66 HB THR 66 0.060 2.416 7.469 503 HG1 THR 66 1HG THR 66 0.938 4.376 7.481 504 HG21 THR 66 1HG2 THR 66 0.910 0.680 8.688 505 HG22 THR 66 2HG2 THR 66 1.782 2.008 9.456 506 HG23 THR 66 3HG2 THR 66 2.575 1.027 8.224 507 H ILE 67 H ILE 67 2.010 -0.515 5.708 508 HA ILE 67 HA ILE 67 -0.766 -1.051 4.902 509 HB ILE 67 HB ILE 67 1.660 -2.215 3.530 510 HG12 ILE 67 1HG1 ILE 67 -0.367 -0.240 2.459 511 HG13 ILE 67 2HG1 ILE 67 1.245 0.196 3.016 512 HG21 ILE 67 1HG2 ILE 67 -1.287 -2.519 2.967 513 HG22 ILE 67 2HG2 ILE 67 0.015 -3.150 1.960 514 HG23 ILE 67 3HG2 ILE 67 -0.207 -3.761 3.599 515 HD11 ILE 67 1HD1 ILE 67 1.162 0.033 0.598 516 HD12 ILE 67 2HD1 ILE 67 2.222 -1.204 1.274 517 HD13 ILE 67 3HD1 ILE 67 0.607 -1.637 0.717 518 H THR 68 H THR 68 -1.637 -2.556 6.147 519 HA THR 68 HA THR 68 0.131 -4.414 7.579 520 HB THR 68 HB THR 68 -2.787 -3.919 8.165 521 HG1 THR 68 1HG THR 68 -1.724 -2.604 9.940 522 HG21 THR 68 1HG2 THR 68 -2.039 -4.695 10.447 523 HG22 THR 68 2HG2 THR 68 -0.507 -5.152 9.704 524 HG23 THR 68 3HG2 THR 68 -2.004 -5.924 9.182 525 H GLY 69 H GLY 69 -0.325 -6.642 7.659 526 HA2 GLY 69 1HA GLY 69 -2.199 -8.269 6.904 527 HA3 GLY 69 2HA GLY 69 -1.835 -7.593 5.323 528 H TYR 70 H TYR 70 -1.543 -10.095 5.172 529 HA TYR 70 HA TYR 70 0.703 -11.365 6.224 530 HB2 TYR 70 1HB TYR 70 -0.899 -11.801 3.718 531 HB3 TYR 70 2HB TYR 70 0.505 -12.799 4.081 532 HD1 TYR 70 1HD TYR 70 -2.864 -11.832 5.248 533 HD2 TYR 70 2HD TYR 70 0.400 -14.519 5.723 534 HE1 TYR 70 1HE TYR 70 -4.263 -13.270 6.670 535 HE2 TYR 70 2HE TYR 70 -0.990 -15.966 7.145 536 HH TYR 70 HH TYR 70 -4.397 -15.195 7.777 537 H GLU 71 H GLU 71 2.787 -10.950 5.981 538 HA GLU 71 HA GLU 71 4.026 -9.025 4.609 539 HB2 GLU 71 1HB GLU 71 5.267 -10.467 6.087 540 HB3 GLU 71 2HB GLU 71 5.038 -11.841 5.014 541 HG2 GLU 71 1HG GLU 71 6.473 -10.892 3.367 542 HG3 GLU 71 2HG GLU 71 6.556 -9.364 4.242 543 H LYS 72 H LYS 72 2.849 -12.012 3.224 544 HA LYS 72 HA LYS 72 4.129 -11.699 0.692 545 HB2 LYS 72 1HB LYS 72 1.882 -13.427 1.698 546 HB3 LYS 72 2HB LYS 72 2.321 -13.405 -0.004 547 HG2 LYS 72 1HG LYS 72 4.244 -14.045 2.219 548 HG3 LYS 72 2HG LYS 72 3.343 -15.255 1.303 549 HD2 LYS 72 1HD LYS 72 4.368 -14.171 -0.778 550 HD3 LYS 72 2HD LYS 72 5.479 -13.375 0.339 551 HE2 LYS 72 1HE LYS 72 5.074 -16.346 0.400 552 HE3 LYS 72 2HE LYS 72 6.196 -15.604 -0.739 553 HZ1 LYS 72 1HZ LYS 72 6.349 -15.743 2.192 554 HZ2 LYS 72 2HZ LYS 72 7.086 -14.448 1.392 555 HZ3 LYS 72 3HZ LYS 72 7.553 -16.036 1.040 556 H ASN 73 H ASN 73 0.661 -11.543 1.529 557 HA ASN 73 HA ASN 73 -0.244 -10.417 -0.821 558 HB2 ASN 73 1HB ASN 73 -1.268 -10.125 2.004 559 HB3 ASN 73 2HB ASN 73 -2.131 -9.491 0.606 560 HD21 ASN 73 1HD2 ASN 73 -3.776 -10.980 1.531 561 HD22 ASN 73 2HD2 ASN 73 -3.763 -12.620 0.986 562 H THR 74 H THR 74 0.580 -8.669 2.176 563 HA THR 74 HA THR 74 0.165 -6.093 1.462 564 HB THR 74 HB THR 74 2.161 -5.470 2.860 565 HG1 THR 74 1HG THR 74 2.447 -8.183 3.527 566 HG21 THR 74 1HG2 THR 74 -0.115 -5.941 3.795 567 HG22 THR 74 2HG2 THR 74 1.208 -6.230 4.925 568 HG23 THR 74 3HG2 THR 74 0.422 -7.588 4.121 569 H GLU 75 H GLU 75 3.135 -7.923 0.737 570 HA GLU 75 HA GLU 75 4.458 -5.894 -0.663 571 HB2 GLU 75 1HB GLU 75 4.641 -8.897 -0.790 572 HB3 GLU 75 2HB GLU 75 5.655 -7.866 -1.788 573 HG2 GLU 75 1HG GLU 75 5.551 -7.466 1.169 574 HG3 GLU 75 2HG GLU 75 6.550 -8.740 0.473 575 H ALA 76 H ALA 76 2.123 -8.305 -1.734 576 HA ALA 76 HA ALA 76 2.376 -7.826 -4.509 577 HB1 ALA 76 1HB ALA 76 1.256 -9.764 -4.270 578 HB2 ALA 76 2HB ALA 76 0.509 -9.267 -2.752 579 HB3 ALA 76 3HB ALA 76 -0.163 -8.719 -4.287 580 H ALA 77 H ALA 77 0.538 -6.273 -1.971 581 HA ALA 77 HA ALA 77 -1.005 -4.685 -3.848 582 HB1 ALA 77 1HB ALA 77 -1.725 -5.605 -1.498 583 HB2 ALA 77 2HB ALA 77 -0.969 -4.117 -0.923 584 HB3 ALA 77 3HB ALA 77 -2.304 -4.040 -2.072 585 H ARG 78 H ARG 78 1.815 -4.369 -1.815 586 HA ARG 78 HA ARG 78 1.979 -1.527 -1.914 587 HB2 ARG 78 1HB ARG 78 3.909 -1.741 -0.687 588 HB3 ARG 78 2HB ARG 78 3.145 -3.284 -0.328 589 HG2 ARG 78 1HG ARG 78 5.230 -4.018 -0.835 590 HG3 ARG 78 2HG ARG 78 4.525 -4.047 -2.453 591 HD2 ARG 78 1HD ARG 78 5.395 -1.564 -2.512 592 HD3 ARG 78 2HD ARG 78 6.495 -2.153 -1.266 593 HE ARG 78 HE ARG 78 6.367 -3.760 -3.668 594 HH11 ARG 78 1HH1 ARG 78 7.962 -1.174 -1.969 595 HH12 ARG 78 2HH1 ARG 78 9.430 -1.306 -2.881 596 HH21 ARG 78 1HH2 ARG 78 8.294 -3.944 -4.876 597 HH22 ARG 78 2HH2 ARG 78 9.617 -2.881 -4.534 598 H ASP 79 H ASP 79 2.864 -4.072 -4.068 599 HA ASP 79 HA ASP 79 4.859 -2.691 -5.544 600 HB2 ASP 79 1HB ASP 79 4.511 -5.172 -5.568 601 HB3 ASP 79 2HB ASP 79 3.051 -4.911 -6.518 602 H ALA 80 H ALA 80 1.367 -2.803 -5.692 603 HA ALA 80 HA ALA 80 1.051 -1.654 -8.256 604 HB1 ALA 80 1HB ALA 80 -0.633 -2.683 -6.317 605 HB2 ALA 80 2HB ALA 80 -1.082 -0.980 -6.414 606 HB3 ALA 80 3HB ALA 80 -1.115 -1.986 -7.863 607 H ILE 81 H ILE 81 0.748 -0.179 -5.020 608 HA ILE 81 HA ILE 81 0.261 2.407 -5.606 609 HB ILE 81 HB ILE 81 2.310 1.463 -3.597 610 HG12 ILE 81 1HG1 ILE 81 -0.594 2.160 -3.143 611 HG13 ILE 81 2HG1 ILE 81 -0.038 0.517 -3.437 612 HG21 ILE 81 1HG2 ILE 81 1.933 4.029 -4.404 613 HG22 ILE 81 2HG2 ILE 81 0.790 3.914 -3.066 614 HG23 ILE 81 3HG2 ILE 81 2.496 3.555 -2.802 615 HD11 ILE 81 1HD1 ILE 81 -0.309 1.669 -0.993 616 HD12 ILE 81 2HD1 ILE 81 0.716 0.280 -1.351 617 HD13 ILE 81 3HD1 ILE 81 1.411 1.901 -1.311 618 H LEU 82 H LEU 82 3.363 0.773 -5.973 619 HA LEU 82 HA LEU 82 4.748 3.171 -6.760 620 HB2 LEU 82 1HB LEU 82 5.639 0.320 -7.126 621 HB3 LEU 82 2HB LEU 82 6.648 1.764 -7.109 622 HG LEU 82 HG LEU 82 5.117 0.755 -4.716 623 HD11 LEU 82 1HD1 LEU 82 8.041 0.392 -5.346 624 HD12 LEU 82 2HD1 LEU 82 6.817 -0.870 -5.477 625 HD13 LEU 82 3HD1 LEU 82 7.188 -0.163 -3.905 626 HD21 LEU 82 1HD2 LEU 82 6.394 3.202 -5.270 627 HD22 LEU 82 2HD2 LEU 82 7.439 2.327 -4.151 628 HD23 LEU 82 3HD2 LEU 82 5.754 2.636 -3.727 629 H ARG 83 H ARG 83 3.665 0.217 -8.423 630 HA ARG 83 HA ARG 83 4.520 0.629 -10.960 631 HB2 ARG 83 1HB ARG 83 2.882 -1.163 -9.904 632 HB3 ARG 83 2HB ARG 83 1.654 -0.139 -10.637 633 HG2 ARG 83 1HG ARG 83 2.266 -0.682 -12.762 634 HG3 ARG 83 2HG ARG 83 3.950 -0.978 -12.319 635 HD2 ARG 83 1HD ARG 83 1.867 -2.784 -11.209 636 HD3 ARG 83 2HD ARG 83 2.287 -2.952 -12.914 637 HE ARG 83 HE ARG 83 3.874 -3.727 -10.664 638 HH11 ARG 83 1HH1 ARG 83 3.996 -2.646 -13.971 639 HH12 ARG 83 2HH1 ARG 83 5.540 -3.366 -14.286 640 HH21 ARG 83 1HH2 ARG 83 5.907 -4.680 -11.066 641 HH22 ARG 83 2HH2 ARG 83 6.626 -4.524 -12.634 642 H ILE 84 H ILE 84 1.637 2.101 -9.501 643 HA ILE 84 HA ILE 84 0.804 3.520 -11.786 644 HB ILE 84 HB ILE 84 0.350 4.262 -8.894 645 HG12 ILE 84 1HG1 ILE 84 -1.659 2.829 -10.579 646 HG13 ILE 84 2HG1 ILE 84 -0.345 1.904 -9.862 647 HG21 ILE 84 1HG2 ILE 84 -0.970 5.919 -9.588 648 HG22 ILE 84 2HG2 ILE 84 -0.219 5.713 -11.170 649 HG23 ILE 84 3HG2 ILE 84 -1.740 4.900 -10.805 650 HD11 ILE 84 1HD1 ILE 84 -1.558 3.637 -7.914 651 HD12 ILE 84 2HD1 ILE 84 -2.757 2.593 -8.678 652 HD13 ILE 84 3HD1 ILE 84 -1.346 1.887 -7.891 653 H VAL 85 H VAL 85 2.474 4.754 -8.880 654 HA VAL 85 HA VAL 85 2.958 7.310 -9.440 655 HB VAL 85 HB VAL 85 5.023 5.331 -8.476 656 HG11 VAL 85 1HG1 VAL 85 5.703 7.797 -7.449 657 HG12 VAL 85 2HG1 VAL 85 6.521 6.961 -8.770 658 HG13 VAL 85 3HG1 VAL 85 5.272 8.157 -9.121 659 HG21 VAL 85 1HG2 VAL 85 3.715 7.337 -6.722 660 HG22 VAL 85 2HG2 VAL 85 2.754 5.955 -7.246 661 HG23 VAL 85 3HG2 VAL 85 4.257 5.699 -6.361 662 H GLY 86 H GLY 86 5.098 4.736 -10.691 663 HA2 GLY 86 1HA GLY 86 6.811 6.168 -12.238 664 HA3 GLY 86 2HA GLY 86 6.198 4.592 -12.716 665 H GLU 87 H GLU 87 3.535 5.183 -13.195 666 HA GLU 87 HA GLU 87 3.705 6.323 -15.796 667 HB2 GLU 87 1HB GLU 87 1.060 5.997 -14.467 668 HB3 GLU 87 2HB GLU 87 1.553 5.584 -16.103 669 HG2 GLU 87 1HG GLU 87 2.027 4.048 -13.573 670 HG3 GLU 87 2HG GLU 87 1.153 3.545 -15.018 671 H LEU 88 H LEU 88 1.934 7.361 -12.877 672 HA LEU 88 HA LEU 88 0.826 9.687 -13.656 673 HB2 LEU 88 1HB LEU 88 2.417 9.494 -11.110 674 HB3 LEU 88 2HB LEU 88 0.997 10.491 -11.420 675 HG LEU 88 HG LEU 88 1.033 7.480 -11.208 676 HD11 LEU 88 1HD1 LEU 88 -0.432 9.259 -9.331 677 HD12 LEU 88 2HD1 LEU 88 1.312 9.083 -9.132 678 HD13 LEU 88 3HD1 LEU 88 0.270 7.662 -9.067 679 HD21 LEU 88 1HD2 LEU 88 -0.659 8.611 -12.775 680 HD22 LEU 88 2HD2 LEU 88 -1.398 9.236 -11.300 681 HD23 LEU 88 3HD2 LEU 88 -1.272 7.494 -11.555 682 H GLU 89 H GLU 89 4.248 9.133 -13.121 683 HA GLU 89 HA GLU 89 5.088 11.826 -13.208 684 HB2 GLU 89 1HB GLU 89 6.398 9.174 -13.509 685 HB3 GLU 89 2HB GLU 89 7.270 10.576 -14.110 686 HG2 GLU 89 1HG GLU 89 6.906 11.618 -11.840 687 HG3 GLU 89 2HG GLU 89 6.356 10.031 -11.304 688 H GLN 90 H GLN 90 4.996 9.322 -15.738 689 HA GLN 90 HA GLN 90 5.996 10.785 -17.852 690 HB2 GLN 90 1HB GLN 90 4.122 8.487 -17.615 691 HB3 GLN 90 2HB GLN 90 4.214 9.299 -19.172 692 HG2 GLN 90 1HG GLN 90 5.769 7.610 -19.381 693 HG3 GLN 90 2HG GLN 90 6.761 8.996 -18.930 694 HE21 GLN 90 1HE2 GLN 90 5.410 5.968 -17.881 695 HE22 GLN 90 2HE2 GLN 90 6.401 5.781 -16.479 696 H MET 91 H MET 91 2.633 10.587 -16.731 697 HA MET 91 HA MET 91 1.402 12.107 -18.682 698 HB2 MET 91 1HB MET 91 0.799 11.976 -15.724 699 HB3 MET 91 2HB MET 91 -0.273 12.687 -16.923 700 HG2 MET 91 1HG MET 91 -0.774 10.639 -17.880 701 HG3 MET 91 2HG MET 91 0.662 9.865 -17.213 702 HE1 MET 91 1HE MET 91 -2.390 8.250 -16.642 703 HE2 MET 91 2HE MET 91 -0.658 7.960 -16.807 704 HE3 MET 91 3HE MET 91 -1.462 7.646 -15.269 705 H SER 92 H SER 92 2.528 13.333 -15.523 706 HA SER 92 HA SER 92 2.475 16.050 -16.574 707 HB2 SER 92 1HB SER 92 1.591 15.378 -14.263 708 HB3 SER 92 2HB SER 92 3.283 15.235 -13.783 709 HG SER 92 HG SER 92 3.551 17.371 -14.015 710 H GLY 93 H GLY 93 4.207 16.850 -17.548 711 HA2 GLY 93 1HA GLY 93 6.408 17.472 -17.872 712 HA3 GLY 93 2HA GLY 93 6.809 16.682 -16.354 713 HA PRO 94 HA PRO 94 6.999 13.418 -19.964 714 HB2 PRO 94 1HB PRO 94 7.463 14.504 -22.409 715 HB3 PRO 94 2HB PRO 94 5.838 14.176 -21.797 716 HG2 PRO 94 1HG PRO 94 7.354 16.756 -21.853 717 HG3 PRO 94 2HG PRO 94 5.652 16.451 -22.241 718 HD2 PRO 94 1HD PRO 94 6.443 17.477 -19.864 719 HD3 PRO 94 2HD PRO 94 5.021 16.427 -20.024 720 H SER 95 H SER 95 8.871 16.322 -19.673 721 HA SER 95 HA SER 95 11.206 15.770 -20.987 722 HB2 SER 95 1HB SER 95 10.940 16.993 -18.230 723 HB3 SER 95 2HB SER 95 12.355 17.126 -19.274 724 HG SER 95 HG SER 95 11.317 18.884 -19.867 725 H SER 96 H SER 96 13.284 14.960 -20.205 726 HA SER 96 HA SER 96 12.991 12.776 -18.251 727 HB2 SER 96 1HB SER 96 13.063 11.986 -20.651 728 HB3 SER 96 2HB SER 96 14.703 12.627 -20.739 729 HG SER 96 HG SER 96 15.406 11.031 -19.525 730 H GLY 97 H GLY 97 15.366 14.774 -20.002 731 HA2 GLY 97 1HA GLY 97 16.863 16.172 -18.656 732 HA3 GLY 97 2HA GLY 97 16.963 14.837 -17.517 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.442 -43.363 22.175 2 HA2 GLY 1 1HA GLY 1 2.542 -42.417 20.388 3 HA3 GLY 1 2HA GLY 1 1.858 -43.679 19.374 4 H SER 2 H SER 2 1.751 -41.862 17.819 5 HA SER 2 HA SER 2 0.648 -40.211 16.694 6 HB2 SER 2 1HB SER 2 -1.465 -41.954 17.862 7 HB3 SER 2 2HB SER 2 -1.979 -40.431 17.136 8 HG SER 2 HG SER 2 -1.881 -41.548 15.352 9 H SER 3 H SER 3 1.782 -39.198 18.937 10 HA SER 3 HA SER 3 0.008 -36.995 19.544 11 HB2 SER 3 1HB SER 3 0.088 -37.210 21.939 12 HB3 SER 3 2HB SER 3 -0.497 -38.739 21.285 13 HG SER 3 HG SER 3 1.069 -39.563 22.418 14 H GLY 4 H GLY 4 1.127 -35.149 19.629 15 HA2 GLY 4 1HA GLY 4 3.402 -34.466 20.880 16 HA3 GLY 4 2HA GLY 4 4.019 -35.275 19.447 17 H SER 5 H SER 5 4.866 -32.848 19.561 18 HA SER 5 HA SER 5 3.238 -31.398 17.600 19 HB2 SER 5 1HB SER 5 4.541 -30.061 19.982 20 HB3 SER 5 2HB SER 5 3.572 -29.278 18.734 21 HG SER 5 HG SER 5 2.776 -30.631 20.961 22 H SER 6 H SER 6 4.419 -31.023 15.858 23 HA SER 6 HA SER 6 7.240 -30.295 16.158 24 HB2 SER 6 1HB SER 6 6.205 -32.488 14.348 25 HB3 SER 6 2HB SER 6 7.826 -31.803 14.246 26 HG SER 6 HG SER 6 6.732 -33.031 16.559 27 H GLY 7 H GLY 7 7.442 -28.374 15.227 28 HA2 GLY 7 1HA GLY 7 7.533 -26.919 13.392 29 HA3 GLY 7 2HA GLY 7 6.438 -27.982 12.522 30 H GLU 8 H GLU 8 6.702 -25.013 13.899 31 HA GLU 8 HA GLU 8 3.787 -24.741 14.041 32 HB2 GLU 8 1HB GLU 8 5.754 -23.786 16.122 33 HB3 GLU 8 2HB GLU 8 4.107 -23.182 16.007 34 HG2 GLU 8 1HG GLU 8 4.812 -26.081 16.387 35 HG3 GLU 8 2HG GLU 8 4.447 -24.968 17.704 36 H GLN 9 H GLN 9 3.097 -23.121 12.813 37 HA GLN 9 HA GLN 9 4.987 -21.337 11.575 38 HB2 GLN 9 1HB GLN 9 3.049 -20.502 10.321 39 HB3 GLN 9 2HB GLN 9 3.140 -22.257 10.271 40 HG2 GLN 9 1HG GLN 9 1.515 -22.107 12.308 41 HG3 GLN 9 2HG GLN 9 1.184 -20.499 11.665 42 HE21 GLN 9 1HE2 GLN 9 1.093 -23.930 10.973 43 HE22 GLN 9 2HE2 GLN 9 -0.081 -23.838 9.708 44 H GLU 10 H GLU 10 4.415 -18.956 11.411 45 HA GLU 10 HA GLU 10 3.641 -17.965 14.077 46 HB2 GLU 10 1HB GLU 10 5.132 -16.021 13.591 47 HB3 GLU 10 2HB GLU 10 5.979 -17.555 13.724 48 HG2 GLU 10 1HG GLU 10 5.126 -16.580 11.040 49 HG3 GLU 10 2HG GLU 10 6.554 -15.889 11.810 50 H ASP 11 H ASP 11 1.644 -18.396 12.269 51 HA ASP 11 HA ASP 11 0.959 -16.441 10.469 52 HB2 ASP 11 1HB ASP 11 -1.391 -17.022 10.920 53 HB3 ASP 11 2HB ASP 11 -0.379 -18.460 10.810 54 H ARG 12 H ARG 12 0.341 -16.432 13.969 55 HA ARG 12 HA ARG 12 -1.079 -14.097 14.222 56 HB2 ARG 12 1HB ARG 12 -0.143 -13.923 16.496 57 HB3 ARG 12 2HB ARG 12 -0.641 -15.565 16.111 58 HG2 ARG 12 1HG ARG 12 1.803 -15.972 15.491 59 HG3 ARG 12 2HG ARG 12 2.133 -14.454 16.329 60 HD2 ARG 12 1HD ARG 12 0.983 -15.393 18.332 61 HD3 ARG 12 2HD ARG 12 0.863 -16.933 17.482 62 HE ARG 12 HE ARG 12 3.543 -15.936 17.599 63 HH11 ARG 12 1HH1 ARG 12 1.092 -17.680 19.351 64 HH12 ARG 12 2HH1 ARG 12 2.226 -18.542 20.338 65 HH21 ARG 12 1HH2 ARG 12 5.045 -17.065 18.892 66 HH22 ARG 12 2HH2 ARG 12 4.474 -18.190 20.076 67 H ALA 13 H ALA 13 2.432 -14.478 13.970 68 HA ALA 13 HA ALA 13 2.982 -11.686 14.256 69 HB1 ALA 13 1HB ALA 13 4.484 -14.005 14.344 70 HB2 ALA 13 2HB ALA 13 5.045 -13.193 12.882 71 HB3 ALA 13 3HB ALA 13 5.099 -12.353 14.433 72 H LEU 14 H LEU 14 2.671 -13.909 11.522 73 HA LEU 14 HA LEU 14 3.530 -12.248 9.471 74 HB2 LEU 14 1HB LEU 14 1.397 -14.373 9.502 75 HB3 LEU 14 2HB LEU 14 1.963 -13.589 8.028 76 HG LEU 14 HG LEU 14 3.779 -15.126 9.874 77 HD11 LEU 14 1HD1 LEU 14 1.892 -16.066 7.812 78 HD12 LEU 14 2HD1 LEU 14 2.566 -16.907 9.208 79 HD13 LEU 14 3HD1 LEU 14 3.524 -16.733 7.739 80 HD21 LEU 14 1HD2 LEU 14 4.966 -15.274 7.533 81 HD22 LEU 14 2HD2 LEU 14 5.168 -13.859 8.566 82 HD23 LEU 14 3HD2 LEU 14 4.034 -13.810 7.216 83 H ARG 15 H ARG 15 0.206 -12.685 10.682 84 HA ARG 15 HA ARG 15 -1.008 -10.785 9.027 85 HB2 ARG 15 1HB ARG 15 -2.834 -10.777 10.692 86 HB3 ARG 15 2HB ARG 15 -2.316 -12.404 10.272 87 HG2 ARG 15 1HG ARG 15 -1.444 -12.813 12.339 88 HG3 ARG 15 2HG ARG 15 -1.080 -11.113 12.643 89 HD2 ARG 15 1HD ARG 15 -3.493 -10.674 12.897 90 HD3 ARG 15 2HD ARG 15 -3.812 -12.392 12.665 91 HE ARG 15 HE ARG 15 -1.968 -11.949 14.785 92 HH11 ARG 15 1HH1 ARG 15 -5.349 -11.832 13.965 93 HH12 ARG 15 2HH1 ARG 15 -5.886 -12.099 15.591 94 HH21 ARG 15 1HH2 ARG 15 -2.662 -12.302 16.930 95 HH22 ARG 15 2HH2 ARG 15 -4.357 -12.366 17.276 96 H SER 16 H SER 16 1.090 -10.382 11.686 97 HA SER 16 HA SER 16 0.226 -7.617 12.133 98 HB2 SER 16 1HB SER 16 0.665 -9.197 14.073 99 HB3 SER 16 2HB SER 16 2.372 -9.118 13.641 100 HG SER 16 HG SER 16 1.603 -7.580 15.280 101 H PHE 17 H PHE 17 1.692 -8.634 9.728 102 HA PHE 17 HA PHE 17 4.333 -7.493 9.919 103 HB2 PHE 17 1HB PHE 17 4.277 -9.285 8.431 104 HB3 PHE 17 2HB PHE 17 2.735 -8.792 7.739 105 HD1 PHE 17 2HD PHE 17 2.647 -6.906 6.143 106 HD2 PHE 17 1HD PHE 17 6.332 -8.491 7.565 107 HE1 PHE 17 2HE PHE 17 3.831 -5.810 4.285 108 HE2 PHE 17 1HE PHE 17 7.523 -7.398 5.709 109 HZ PHE 17 HZ PHE 17 6.272 -6.056 4.066 110 H LYS 18 H LYS 18 4.710 -5.390 9.828 111 HA LYS 18 HA LYS 18 2.789 -3.653 8.441 112 HB2 LYS 18 1HB LYS 18 3.332 -3.253 10.880 113 HB3 LYS 18 2HB LYS 18 4.956 -2.811 10.367 114 HG2 LYS 18 1HG LYS 18 4.277 -0.841 9.434 115 HG3 LYS 18 2HG LYS 18 2.652 -1.437 9.087 116 HD2 LYS 18 1HD LYS 18 3.537 -1.105 11.923 117 HD3 LYS 18 2HD LYS 18 3.029 0.308 10.994 118 HE2 LYS 18 1HE LYS 18 1.024 -0.309 11.899 119 HE3 LYS 18 2HE LYS 18 0.981 -1.246 10.407 120 HZ1 LYS 18 1HZ LYS 18 1.449 -3.200 11.523 121 HZ2 LYS 18 2HZ LYS 18 0.422 -2.409 12.607 122 HZ3 LYS 18 3HZ LYS 18 2.091 -2.414 12.877 123 H LEU 19 H LEU 19 3.328 -2.840 6.534 124 HA LEU 19 HA LEU 19 6.186 -2.682 5.832 125 HB2 LEU 19 1HB LEU 19 5.256 -4.262 4.391 126 HB3 LEU 19 2HB LEU 19 3.759 -3.349 4.207 127 HG LEU 19 HG LEU 19 5.298 -1.611 3.011 128 HD11 LEU 19 1HD1 LEU 19 7.320 -3.105 3.701 129 HD12 LEU 19 2HD1 LEU 19 7.285 -2.340 2.113 130 HD13 LEU 19 3HD1 LEU 19 6.862 -4.044 2.280 131 HD21 LEU 19 1HD2 LEU 19 4.883 -4.098 1.426 132 HD22 LEU 19 2HD2 LEU 19 4.531 -2.420 1.009 133 HD23 LEU 19 3HD2 LEU 19 3.480 -3.291 2.129 134 H SER 20 H SER 20 6.906 -0.885 4.628 135 HA SER 20 HA SER 20 5.063 1.412 4.593 136 HB2 SER 20 1HB SER 20 6.593 2.814 5.602 137 HB3 SER 20 2HB SER 20 6.978 1.299 6.418 138 HG SER 20 HG SER 20 8.860 2.317 5.645 139 H VAL 21 H VAL 21 4.737 2.031 2.570 140 HA VAL 21 HA VAL 21 6.678 1.410 0.501 141 HB VAL 21 HB VAL 21 4.126 2.926 0.047 142 HG11 VAL 21 1HG1 VAL 21 5.075 2.833 -1.995 143 HG12 VAL 21 2HG1 VAL 21 6.100 1.460 -1.574 144 HG13 VAL 21 3HG1 VAL 21 4.411 1.200 -2.009 145 HG21 VAL 21 1HG2 VAL 21 3.048 0.689 -0.330 146 HG22 VAL 21 2HG2 VAL 21 4.439 -0.040 0.470 147 HG23 VAL 21 3HG2 VAL 21 3.397 1.073 1.355 148 H THR 22 H THR 22 8.040 2.816 -0.413 149 HA THR 22 HA THR 22 8.107 5.539 0.612 150 HB THR 22 HB THR 22 10.078 4.326 -1.319 151 HG1 THR 22 1HG THR 22 11.271 3.854 0.690 152 HG21 THR 22 1HG2 THR 22 9.843 6.823 0.129 153 HG22 THR 22 2HG2 THR 22 10.959 6.372 -1.160 154 HG23 THR 22 3HG2 THR 22 11.348 5.989 0.516 155 H VAL 23 H VAL 23 6.649 6.804 -0.410 156 HA VAL 23 HA VAL 23 7.099 7.342 -3.227 157 HB VAL 23 HB VAL 23 4.398 6.465 -2.199 158 HG11 VAL 23 1HG1 VAL 23 3.763 6.826 -4.653 159 HG12 VAL 23 2HG1 VAL 23 3.913 8.255 -3.628 160 HG13 VAL 23 3HG1 VAL 23 5.210 7.830 -4.745 161 HG21 VAL 23 1HG2 VAL 23 5.805 4.589 -2.727 162 HG22 VAL 23 2HG2 VAL 23 4.605 4.769 -4.007 163 HG23 VAL 23 3HG2 VAL 23 6.262 5.311 -4.270 164 H ASP 24 H ASP 24 7.097 9.467 -3.523 165 HA ASP 24 HA ASP 24 6.830 11.398 -1.652 166 HB2 ASP 24 1HB ASP 24 5.958 11.707 -4.533 167 HB3 ASP 24 2HB ASP 24 6.447 13.006 -3.449 168 HA PRO 25 HA PRO 25 2.608 11.653 -0.442 169 HB2 PRO 25 1HB PRO 25 2.565 14.212 0.462 170 HB3 PRO 25 2HB PRO 25 3.349 12.896 1.342 171 HG2 PRO 25 1HG PRO 25 4.565 14.971 -0.441 172 HG3 PRO 25 2HG PRO 25 5.142 14.360 1.121 173 HD2 PRO 25 1HD PRO 25 6.168 13.521 -1.240 174 HD3 PRO 25 2HD PRO 25 6.060 12.465 0.183 175 H LYS 26 H LYS 26 3.837 13.115 -3.129 176 HA LYS 26 HA LYS 26 1.676 14.915 -3.730 177 HB2 LYS 26 1HB LYS 26 2.774 15.290 -5.814 178 HB3 LYS 26 2HB LYS 26 4.030 15.168 -4.589 179 HG2 LYS 26 1HG LYS 26 4.384 12.807 -5.259 180 HG3 LYS 26 2HG LYS 26 3.219 13.046 -6.563 181 HD2 LYS 26 1HD LYS 26 5.598 14.848 -6.259 182 HD3 LYS 26 2HD LYS 26 5.729 13.298 -7.094 183 HE2 LYS 26 1HE LYS 26 5.259 14.734 -8.837 184 HE3 LYS 26 2HE LYS 26 3.653 14.143 -8.416 185 HZ1 LYS 26 1HZ LYS 26 4.317 16.438 -6.886 186 HZ2 LYS 26 2HZ LYS 26 3.005 16.190 -7.924 187 HZ3 LYS 26 3HZ LYS 26 4.472 16.769 -8.538 188 H TYR 27 H TYR 27 2.592 11.628 -4.627 189 HA TYR 27 HA TYR 27 0.302 11.350 -6.385 190 HB2 TYR 27 1HB TYR 27 2.305 9.259 -5.511 191 HB3 TYR 27 2HB TYR 27 1.155 9.119 -6.837 192 HD1 TYR 27 2HD TYR 27 1.393 11.548 -8.322 193 HD2 TYR 27 1HD TYR 27 4.451 9.346 -6.348 194 HE1 TYR 27 2HE TYR 27 3.059 12.487 -9.869 195 HE2 TYR 27 1HE TYR 27 6.126 10.279 -7.888 196 HH TYR 27 HH TYR 27 5.483 11.612 -10.716 197 H HIS 28 H HIS 28 1.038 10.879 -3.094 198 HA HIS 28 HA HIS 28 -0.389 8.715 -2.263 199 HB2 HIS 28 1HB HIS 28 0.206 11.364 -1.077 200 HB3 HIS 28 2HB HIS 28 -1.089 10.446 -0.313 201 HD2 HIS 28 2HD HIS 28 2.038 8.538 -1.654 202 HE1 HIS 28 1HE HIS 28 2.169 8.536 2.587 203 HE2 HIS 28 2HE HIS 28 3.258 7.710 0.472 204 HA PRO 29 HA PRO 29 -4.523 11.207 -2.207 205 HB2 PRO 29 1HB PRO 29 -4.527 13.653 -3.383 206 HB3 PRO 29 2HB PRO 29 -4.139 13.408 -1.677 207 HG2 PRO 29 1HG PRO 29 -2.295 13.784 -4.004 208 HG3 PRO 29 2HG PRO 29 -2.205 14.492 -2.380 209 HD2 PRO 29 1HD PRO 29 -0.701 12.367 -3.127 210 HD3 PRO 29 2HD PRO 29 -1.282 12.589 -1.464 211 H LYS 30 H LYS 30 -2.397 10.896 -4.835 212 HA LYS 30 HA LYS 30 -4.479 11.152 -6.859 213 HB2 LYS 30 1HB LYS 30 -1.529 10.528 -7.068 214 HB3 LYS 30 2HB LYS 30 -2.616 10.633 -8.447 215 HG2 LYS 30 1HG LYS 30 -2.438 12.934 -6.565 216 HG3 LYS 30 2HG LYS 30 -1.149 12.674 -7.743 217 HD2 LYS 30 1HD LYS 30 -4.050 12.746 -8.531 218 HD3 LYS 30 2HD LYS 30 -3.068 14.209 -8.432 219 HE2 LYS 30 1HE LYS 30 -1.591 13.431 -10.120 220 HE3 LYS 30 2HE LYS 30 -2.280 11.809 -10.068 221 HZ1 LYS 30 1HZ LYS 30 -4.428 12.939 -10.785 222 HZ2 LYS 30 2HZ LYS 30 -3.211 12.786 -11.949 223 HZ3 LYS 30 3HZ LYS 30 -3.468 14.274 -11.185 224 H ILE 31 H ILE 31 -2.941 8.738 -4.967 225 HA ILE 31 HA ILE 31 -3.641 6.563 -6.757 226 HB ILE 31 HB ILE 31 -2.521 6.446 -3.955 227 HG12 ILE 31 1HG1 ILE 31 -0.933 5.878 -6.427 228 HG13 ILE 31 2HG1 ILE 31 -1.184 7.551 -5.939 229 HG21 ILE 31 1HG2 ILE 31 -3.299 4.327 -4.210 230 HG22 ILE 31 2HG2 ILE 31 -3.241 4.399 -5.971 231 HG23 ILE 31 3HG2 ILE 31 -1.759 4.145 -5.048 232 HD11 ILE 31 1HD1 ILE 31 0.171 7.370 -4.140 233 HD12 ILE 31 2HD1 ILE 31 -0.236 5.676 -3.862 234 HD13 ILE 31 3HD1 ILE 31 0.897 6.113 -5.140 235 H ILE 32 H ILE 32 -4.818 8.058 -3.818 236 HA ILE 32 HA ILE 32 -6.534 6.130 -2.843 237 HB ILE 32 HB ILE 32 -6.846 9.127 -2.907 238 HG12 ILE 32 1HG1 ILE 32 -6.280 7.361 -0.536 239 HG13 ILE 32 2HG1 ILE 32 -4.986 7.925 -1.587 240 HG21 ILE 32 1HG2 ILE 32 -8.543 8.743 -1.080 241 HG22 ILE 32 2HG2 ILE 32 -9.063 8.322 -2.711 242 HG23 ILE 32 3HG2 ILE 32 -8.579 7.054 -1.586 243 HD11 ILE 32 1HD1 ILE 32 -4.977 9.933 -0.644 244 HD12 ILE 32 2HD1 ILE 32 -6.733 10.075 -0.734 245 HD13 ILE 32 3HD1 ILE 32 -5.985 9.226 0.618 246 H GLY 33 H GLY 33 -7.305 8.665 -5.235 247 HA2 GLY 33 1HA GLY 33 -8.561 7.882 -7.227 248 HA3 GLY 33 2HA GLY 33 -9.568 6.975 -6.110 249 H ARG 34 H ARG 34 -10.746 8.661 -7.896 250 HA ARG 34 HA ARG 34 -11.148 11.297 -7.238 251 HB2 ARG 34 1HB ARG 34 -13.053 9.241 -8.344 252 HB3 ARG 34 2HB ARG 34 -13.508 10.928 -8.152 253 HG2 ARG 34 1HG ARG 34 -11.109 10.050 -9.735 254 HG3 ARG 34 2HG ARG 34 -12.715 10.250 -10.439 255 HD2 ARG 34 1HD ARG 34 -12.698 12.537 -10.165 256 HD3 ARG 34 2HD ARG 34 -11.535 12.475 -8.842 257 HE ARG 34 HE ARG 34 -10.128 11.596 -10.999 258 HH11 ARG 34 1HH1 ARG 34 -12.009 14.443 -10.305 259 HH12 ARG 34 2HH1 ARG 34 -11.074 15.472 -11.339 260 HH21 ARG 34 1HH2 ARG 34 -8.889 12.941 -12.364 261 HH22 ARG 34 2HH2 ARG 34 -9.299 14.616 -12.510 262 H LYS 35 H LYS 35 -13.135 8.562 -6.096 263 HA LYS 35 HA LYS 35 -14.030 10.251 -3.860 264 HB2 LYS 35 1HB LYS 35 -15.271 7.868 -5.221 265 HB3 LYS 35 2HB LYS 35 -15.821 8.424 -3.646 266 HG2 LYS 35 1HG LYS 35 -16.401 10.584 -4.578 267 HG3 LYS 35 2HG LYS 35 -15.780 10.090 -6.155 268 HD2 LYS 35 1HD LYS 35 -18.007 9.664 -6.458 269 HD3 LYS 35 2HD LYS 35 -17.485 8.104 -5.819 270 HE2 LYS 35 1HE LYS 35 -19.371 8.557 -4.554 271 HE3 LYS 35 2HE LYS 35 -18.068 9.131 -3.514 272 HZ1 LYS 35 1HZ LYS 35 -20.058 10.643 -3.802 273 HZ2 LYS 35 2HZ LYS 35 -19.497 10.937 -5.370 274 HZ3 LYS 35 3HZ LYS 35 -18.538 11.347 -4.037 275 H GLY 36 H GLY 36 -12.151 7.513 -4.679 276 HA2 GLY 36 1HA GLY 36 -10.575 6.766 -2.961 277 HA3 GLY 36 2HA GLY 36 -11.899 6.855 -1.810 278 H ALA 37 H ALA 37 -12.344 5.559 -5.016 279 HA ALA 37 HA ALA 37 -13.032 2.981 -3.841 280 HB1 ALA 37 1HB ALA 37 -13.455 2.880 -6.608 281 HB2 ALA 37 2HB ALA 37 -14.664 3.091 -5.341 282 HB3 ALA 37 3HB ALA 37 -13.932 4.502 -6.104 283 H VAL 38 H VAL 38 -10.821 4.363 -6.228 284 HA VAL 38 HA VAL 38 -9.702 2.157 -7.371 285 HB VAL 38 HB VAL 38 -8.224 4.608 -6.402 286 HG11 VAL 38 1HG1 VAL 38 -6.853 2.520 -6.968 287 HG12 VAL 38 2HG1 VAL 38 -7.355 2.803 -8.636 288 HG13 VAL 38 3HG1 VAL 38 -6.423 4.027 -7.774 289 HG21 VAL 38 1HG2 VAL 38 -9.942 5.284 -7.883 290 HG22 VAL 38 2HG2 VAL 38 -8.457 5.256 -8.834 291 HG23 VAL 38 3HG2 VAL 38 -9.624 3.942 -8.981 292 H ILE 39 H ILE 39 -8.301 3.714 -4.479 293 HA ILE 39 HA ILE 39 -6.451 1.799 -3.821 294 HB ILE 39 HB ILE 39 -6.662 3.966 -2.662 295 HG12 ILE 39 1HG1 ILE 39 -6.189 3.093 -0.351 296 HG13 ILE 39 2HG1 ILE 39 -6.675 1.498 -0.916 297 HG21 ILE 39 1HG2 ILE 39 -8.316 4.431 -1.070 298 HG22 ILE 39 2HG2 ILE 39 -9.191 3.718 -2.424 299 HG23 ILE 39 3HG2 ILE 39 -8.839 2.749 -0.993 300 HD11 ILE 39 1HD1 ILE 39 -4.802 2.313 -2.772 301 HD12 ILE 39 2HD1 ILE 39 -4.164 2.891 -1.231 302 HD13 ILE 39 3HD1 ILE 39 -4.547 1.183 -1.443 303 H THR 40 H THR 40 -9.831 1.945 -2.717 304 HA THR 40 HA THR 40 -9.953 -0.203 -1.044 305 HB THR 40 HB THR 40 -12.031 0.530 -3.116 306 HG1 THR 40 1HG THR 40 -11.514 2.251 -1.698 307 HG21 THR 40 1HG2 THR 40 -12.416 -1.696 -2.170 308 HG22 THR 40 2HG2 THR 40 -13.627 -0.546 -1.602 309 HG23 THR 40 3HG2 THR 40 -12.302 -1.027 -0.543 310 H GLN 41 H GLN 41 -10.662 -0.407 -4.539 311 HA GLN 41 HA GLN 41 -10.957 -3.098 -4.820 312 HB2 GLN 41 1HB GLN 41 -11.249 -1.563 -6.680 313 HB3 GLN 41 2HB GLN 41 -9.524 -1.216 -6.700 314 HG2 GLN 41 1HG GLN 41 -9.659 -2.711 -8.410 315 HG3 GLN 41 2HG GLN 41 -9.328 -3.804 -7.066 316 HE21 GLN 41 1HE2 GLN 41 -10.275 -5.508 -8.230 317 HE22 GLN 41 2HE2 GLN 41 -11.991 -5.655 -8.375 318 H ILE 42 H ILE 42 -7.896 -1.320 -4.711 319 HA ILE 42 HA ILE 42 -6.214 -3.532 -5.191 320 HB ILE 42 HB ILE 42 -5.555 -1.041 -3.617 321 HG12 ILE 42 1HG1 ILE 42 -5.077 -1.532 -6.558 322 HG13 ILE 42 2HG1 ILE 42 -6.502 -0.696 -5.953 323 HG21 ILE 42 1HG2 ILE 42 -4.039 -3.187 -3.655 324 HG22 ILE 42 2HG2 ILE 42 -3.582 -2.568 -5.240 325 HG23 ILE 42 3HG2 ILE 42 -3.335 -1.577 -3.803 326 HD11 ILE 42 1HD1 ILE 42 -3.699 0.207 -6.123 327 HD12 ILE 42 2HD1 ILE 42 -5.201 1.103 -6.350 328 HD13 ILE 42 3HD1 ILE 42 -4.628 0.740 -4.723 329 H ARG 43 H ARG 43 -7.424 -2.076 -2.199 330 HA ARG 43 HA ARG 43 -5.951 -3.639 -0.397 331 HB2 ARG 43 1HB ARG 43 -8.635 -2.284 -0.136 332 HB3 ARG 43 2HB ARG 43 -7.833 -3.089 1.207 333 HG2 ARG 43 1HG ARG 43 -6.122 -1.520 1.290 334 HG3 ARG 43 2HG ARG 43 -6.438 -0.949 -0.349 335 HD2 ARG 43 1HD ARG 43 -7.288 0.746 1.012 336 HD3 ARG 43 2HD ARG 43 -8.711 -0.193 0.563 337 HE ARG 43 HE ARG 43 -7.920 -1.302 2.912 338 HH11 ARG 43 1HH1 ARG 43 -8.655 1.943 1.888 339 HH12 ARG 43 2HH1 ARG 43 -9.220 2.446 3.446 340 HH21 ARG 43 1HH2 ARG 43 -8.662 -0.651 4.968 341 HH22 ARG 43 2HH2 ARG 43 -9.223 0.970 5.199 342 H LEU 44 H LEU 44 -9.287 -4.081 -1.572 343 HA LEU 44 HA LEU 44 -9.790 -6.500 -0.268 344 HB2 LEU 44 1HB LEU 44 -10.891 -5.329 -2.809 345 HB3 LEU 44 2HB LEU 44 -11.483 -6.841 -2.123 346 HG LEU 44 HG LEU 44 -11.485 -4.352 -0.464 347 HD11 LEU 44 1HD1 LEU 44 -13.450 -3.543 -1.356 348 HD12 LEU 44 2HD1 LEU 44 -13.852 -5.072 -2.136 349 HD13 LEU 44 3HD1 LEU 44 -12.579 -4.050 -2.803 350 HD21 LEU 44 1HD2 LEU 44 -12.037 -6.825 0.242 351 HD22 LEU 44 2HD2 LEU 44 -13.598 -6.451 -0.490 352 HD23 LEU 44 3HD2 LEU 44 -12.991 -5.471 0.847 353 H GLU 45 H GLU 45 -8.628 -5.910 -3.580 354 HA GLU 45 HA GLU 45 -8.469 -8.417 -4.595 355 HB2 GLU 45 1HB GLU 45 -7.594 -6.095 -5.491 356 HB3 GLU 45 2HB GLU 45 -6.050 -6.687 -4.891 357 HG2 GLU 45 1HG GLU 45 -5.942 -8.384 -6.434 358 HG3 GLU 45 2HG GLU 45 -7.690 -8.433 -6.661 359 H HIS 46 H HIS 46 -5.940 -6.916 -2.582 360 HA HIS 46 HA HIS 46 -4.696 -9.535 -2.216 361 HB2 HIS 46 1HB HIS 46 -3.719 -6.867 -1.190 362 HB3 HIS 46 2HB HIS 46 -2.797 -8.361 -1.338 363 HD1 HIS 46 1HD HIS 46 -2.304 -9.151 -3.858 364 HD2 HIS 46 2HD HIS 46 -3.651 -5.248 -3.390 365 HE1 HIS 46 1HE HIS 46 -1.749 -7.984 -6.016 366 H ASP 47 H ASP 47 -7.171 -8.023 -0.839 367 HA ASP 47 HA ASP 47 -8.151 -7.970 1.222 368 HB2 ASP 47 1HB ASP 47 -6.768 -10.609 1.052 369 HB3 ASP 47 2HB ASP 47 -7.482 -10.144 2.593 370 H VAL 48 H VAL 48 -6.160 -6.224 1.273 371 HA VAL 48 HA VAL 48 -4.941 -6.630 3.922 372 HB VAL 48 HB VAL 48 -2.922 -5.505 3.236 373 HG11 VAL 48 1HG1 VAL 48 -2.102 -7.457 2.568 374 HG12 VAL 48 2HG1 VAL 48 -3.749 -8.020 2.277 375 HG13 VAL 48 3HG1 VAL 48 -2.833 -7.257 0.977 376 HG21 VAL 48 1HG2 VAL 48 -3.202 -3.957 1.632 377 HG22 VAL 48 2HG2 VAL 48 -2.870 -5.290 0.526 378 HG23 VAL 48 3HG2 VAL 48 -4.536 -4.833 0.879 379 H ASN 49 H ASN 49 -4.000 -4.370 4.661 380 HA ASN 49 HA ASN 49 -6.128 -2.381 4.211 381 HB2 ASN 49 1HB ASN 49 -6.141 -3.359 6.487 382 HB3 ASN 49 2HB ASN 49 -4.487 -2.802 6.719 383 HD21 ASN 49 1HD2 ASN 49 -7.791 -1.985 6.805 384 HD22 ASN 49 2HD2 ASN 49 -7.609 -0.329 7.261 385 H ILE 50 H ILE 50 -5.442 -0.684 3.099 386 HA ILE 50 HA ILE 50 -2.638 0.169 3.412 387 HB ILE 50 HB ILE 50 -4.470 0.538 1.039 388 HG12 ILE 50 1HG1 ILE 50 -1.858 -0.938 1.027 389 HG13 ILE 50 2HG1 ILE 50 -3.319 -1.747 1.585 390 HG21 ILE 50 1HG2 ILE 50 -3.163 2.203 0.378 391 HG22 ILE 50 2HG2 ILE 50 -2.236 2.068 1.872 392 HG23 ILE 50 3HG2 ILE 50 -1.757 1.141 0.450 393 HD11 ILE 50 1HD1 ILE 50 -3.355 -2.336 -0.607 394 HD12 ILE 50 2HD1 ILE 50 -4.267 -0.828 -0.699 395 HD13 ILE 50 3HD1 ILE 50 -2.558 -0.855 -1.135 396 H GLN 51 H GLN 51 -2.459 1.923 4.630 397 HA GLN 51 HA GLN 51 -4.563 3.978 4.454 398 HB2 GLN 51 1HB GLN 51 -4.149 2.698 6.677 399 HB3 GLN 51 2HB GLN 51 -2.714 3.707 6.803 400 HG2 GLN 51 1HG GLN 51 -4.301 4.868 8.020 401 HG3 GLN 51 2HG GLN 51 -4.314 5.679 6.455 402 HE21 GLN 51 1HE2 GLN 51 -6.425 5.990 8.113 403 HE22 GLN 51 2HE2 GLN 51 -7.801 5.146 7.500 404 H PHE 52 H PHE 52 -3.910 6.182 4.557 405 HA PHE 52 HA PHE 52 -1.110 6.613 3.747 406 HB2 PHE 52 1HB PHE 52 -3.576 8.148 2.901 407 HB3 PHE 52 2HB PHE 52 -1.926 8.552 2.441 408 HD1 PHE 52 1HD PHE 52 -0.697 7.163 0.866 409 HD2 PHE 52 2HD PHE 52 -4.735 6.301 1.898 410 HE1 PHE 52 1HE PHE 52 -0.873 5.669 -1.081 411 HE2 PHE 52 2HE PHE 52 -4.918 4.806 -0.047 412 HZ PHE 52 HZ PHE 52 -2.985 4.487 -1.539 413 HA PRO 53 HA PRO 53 -0.626 9.288 7.201 414 HB2 PRO 53 1HB PRO 53 1.341 10.905 6.261 415 HB3 PRO 53 2HB PRO 53 1.626 9.231 6.749 416 HG2 PRO 53 1HG PRO 53 1.237 10.364 4.006 417 HG3 PRO 53 2HG PRO 53 2.408 9.153 4.561 418 HD2 PRO 53 1HD PRO 53 0.132 8.487 3.254 419 HD3 PRO 53 2HD PRO 53 0.864 7.443 4.490 420 H ASP 54 H ASP 54 -0.709 11.575 7.841 421 HA ASP 54 HA ASP 54 -2.307 13.178 5.952 422 HB2 ASP 54 1HB ASP 54 -3.381 12.238 8.139 423 HB3 ASP 54 2HB ASP 54 -2.482 13.532 8.927 424 H LYS 55 H LYS 55 -1.331 14.954 5.270 425 HA LYS 55 HA LYS 55 1.153 15.856 6.075 426 HB2 LYS 55 1HB LYS 55 0.608 17.952 4.885 427 HB3 LYS 55 2HB LYS 55 0.168 16.522 3.959 428 HG2 LYS 55 1HG LYS 55 -2.171 16.898 5.079 429 HG3 LYS 55 2HG LYS 55 -1.575 18.550 5.262 430 HD2 LYS 55 1HD LYS 55 -2.570 18.703 3.204 431 HD3 LYS 55 2HD LYS 55 -0.935 18.240 2.724 432 HE2 LYS 55 1HE LYS 55 -3.142 16.244 3.181 433 HE3 LYS 55 2HE LYS 55 -2.825 16.981 1.610 434 HZ1 LYS 55 1HZ LYS 55 -1.684 14.935 1.647 435 HZ2 LYS 55 2HZ LYS 55 -1.030 15.223 3.180 436 HZ3 LYS 55 3HZ LYS 55 -0.497 16.122 1.851 437 H ASP 56 H ASP 56 -2.033 16.763 7.263 438 HA ASP 56 HA ASP 56 -1.375 19.002 8.769 439 HB2 ASP 56 1HB ASP 56 -3.680 17.846 8.306 440 HB3 ASP 56 2HB ASP 56 -3.346 16.999 9.814 441 H ASP 57 H ASP 57 -1.227 15.574 9.656 442 HA ASP 57 HA ASP 57 -0.556 15.831 12.336 443 HB2 ASP 57 1HB ASP 57 -0.988 13.719 10.803 444 HB3 ASP 57 2HB ASP 57 0.770 13.705 10.711 445 H GLY 58 H GLY 58 1.774 15.194 9.702 446 HA2 GLY 58 1HA GLY 58 3.803 16.340 9.351 447 HA3 GLY 58 2HA GLY 58 3.645 17.063 10.945 448 H ASN 59 H ASN 59 3.924 15.565 12.812 449 HA ASN 59 HA ASN 59 6.361 14.467 13.008 450 HB2 ASN 59 1HB ASN 59 3.782 13.794 14.350 451 HB3 ASN 59 2HB ASN 59 5.165 12.743 14.638 452 HD21 ASN 59 1HD2 ASN 59 4.710 16.248 14.300 453 HD22 ASN 59 2HD2 ASN 59 5.521 16.664 15.768 454 H GLN 60 H GLN 60 3.574 12.937 11.534 455 HA GLN 60 HA GLN 60 4.999 10.438 11.130 456 HB2 GLN 60 1HB GLN 60 2.229 11.331 10.321 457 HB3 GLN 60 2HB GLN 60 2.887 9.734 9.993 458 HG2 GLN 60 1HG GLN 60 3.118 9.333 12.389 459 HG3 GLN 60 2HG GLN 60 2.461 10.935 12.720 460 HE21 GLN 60 1HE2 GLN 60 0.426 11.037 10.864 461 HE22 GLN 60 2HE2 GLN 60 -0.778 9.868 11.272 462 HA PRO 61 HA PRO 61 6.533 11.326 7.113 463 HB2 PRO 61 1HB PRO 61 6.468 8.852 5.995 464 HB3 PRO 61 2HB PRO 61 7.641 9.316 7.233 465 HG2 PRO 61 1HG PRO 61 5.089 7.777 7.522 466 HG3 PRO 61 2HG PRO 61 6.671 7.472 8.264 467 HD2 PRO 61 1HD PRO 61 4.643 8.671 9.599 468 HD3 PRO 61 2HD PRO 61 6.348 9.058 9.905 469 H GLN 62 H GLN 62 5.694 12.100 5.270 470 HA GLN 62 HA GLN 62 2.916 11.464 4.640 471 HB2 GLN 62 1HB GLN 62 4.698 13.587 3.437 472 HB3 GLN 62 2HB GLN 62 2.958 13.440 3.233 473 HG2 GLN 62 1HG GLN 62 4.417 14.079 5.785 474 HG3 GLN 62 2HG GLN 62 3.462 15.191 4.806 475 HE21 GLN 62 1HE2 GLN 62 3.363 13.754 7.607 476 HE22 GLN 62 2HE2 GLN 62 1.683 13.377 7.753 477 H ASP 63 H ASP 63 6.064 10.719 3.593 478 HA ASP 63 HA ASP 63 5.172 9.974 0.907 479 HB2 ASP 63 1HB ASP 63 7.374 10.018 0.242 480 HB3 ASP 63 2HB ASP 63 7.429 11.189 1.556 481 H GLN 64 H GLN 64 5.511 8.629 3.964 482 HA GLN 64 HA GLN 64 6.040 5.934 2.965 483 HB2 GLN 64 1HB GLN 64 5.758 6.992 5.781 484 HB3 GLN 64 2HB GLN 64 6.096 5.315 5.375 485 HG2 GLN 64 1HG GLN 64 7.893 7.408 4.280 486 HG3 GLN 64 2HG GLN 64 8.011 7.018 5.995 487 HE21 GLN 64 1HE2 GLN 64 8.081 5.605 2.766 488 HE22 GLN 64 2HE2 GLN 64 9.125 4.289 3.167 489 H ILE 65 H ILE 65 4.487 4.478 2.648 490 HA ILE 65 HA ILE 65 1.764 5.154 3.521 491 HB ILE 65 HB ILE 65 2.610 3.181 1.396 492 HG12 ILE 65 1HG1 ILE 65 1.356 5.897 0.987 493 HG13 ILE 65 2HG1 ILE 65 3.095 5.631 0.927 494 HG21 ILE 65 1HG2 ILE 65 0.526 2.450 2.031 495 HG22 ILE 65 2HG2 ILE 65 -0.022 4.064 2.482 496 HG23 ILE 65 3HG2 ILE 65 0.103 3.619 0.780 497 HD11 ILE 65 1HD1 ILE 65 0.983 4.584 -0.923 498 HD12 ILE 65 2HD1 ILE 65 2.380 5.595 -1.298 499 HD13 ILE 65 3HD1 ILE 65 2.608 3.901 -0.865 500 H THR 66 H THR 66 0.788 3.976 5.030 501 HA THR 66 HA THR 66 2.160 1.720 6.196 502 HB THR 66 HB THR 66 -0.077 1.726 7.610 503 HG1 THR 66 1HG THR 66 -0.872 3.426 6.027 504 HG21 THR 66 1HG2 THR 66 1.293 4.112 8.413 505 HG22 THR 66 2HG2 THR 66 2.465 2.916 7.859 506 HG23 THR 66 3HG2 THR 66 1.332 2.509 9.147 507 H ILE 67 H ILE 67 1.758 -0.370 5.843 508 HA ILE 67 HA ILE 67 -0.810 -1.175 4.692 509 HB ILE 67 HB ILE 67 1.865 -1.967 3.534 510 HG12 ILE 67 1HG1 ILE 67 -0.441 -0.376 2.388 511 HG13 ILE 67 2HG1 ILE 67 1.146 0.252 2.818 512 HG21 ILE 67 1HG2 ILE 67 -0.852 -3.115 3.285 513 HG22 ILE 67 2HG2 ILE 67 0.109 -2.993 1.812 514 HG23 ILE 67 3HG2 ILE 67 0.725 -3.899 3.193 515 HD11 ILE 67 1HD1 ILE 67 2.006 -1.497 1.104 516 HD12 ILE 67 2HD1 ILE 67 0.347 -1.447 0.507 517 HD13 ILE 67 3HD1 ILE 67 1.316 0.026 0.541 518 H THR 68 H THR 68 -1.620 -2.694 5.962 519 HA THR 68 HA THR 68 0.232 -4.490 7.381 520 HB THR 68 HB THR 68 -2.643 -3.937 8.124 521 HG1 THR 68 1HG THR 68 -0.378 -2.846 9.434 522 HG21 THR 68 1HG2 THR 68 -1.936 -5.972 9.095 523 HG22 THR 68 2HG2 THR 68 -1.760 -4.761 10.366 524 HG23 THR 68 3HG2 THR 68 -0.343 -5.324 9.482 525 H GLY 69 H GLY 69 -0.294 -6.720 7.557 526 HA2 GLY 69 1HA GLY 69 -2.209 -8.323 6.887 527 HA3 GLY 69 2HA GLY 69 -1.899 -7.674 5.284 528 H TYR 70 H TYR 70 -1.613 -10.113 5.015 529 HA TYR 70 HA TYR 70 0.573 -11.498 6.037 530 HB2 TYR 70 1HB TYR 70 -0.875 -11.756 3.401 531 HB3 TYR 70 2HB TYR 70 0.379 -12.878 3.917 532 HD1 TYR 70 2HD TYR 70 -0.179 -13.297 6.729 533 HD2 TYR 70 1HD TYR 70 -2.897 -12.881 3.482 534 HE1 TYR 70 2HE TYR 70 -1.855 -14.601 7.972 535 HE2 TYR 70 1HE TYR 70 -4.580 -14.183 4.716 536 HH TYR 70 HH TYR 70 -4.076 -15.141 8.052 537 H GLU 71 H GLU 71 2.671 -11.126 5.869 538 HA GLU 71 HA GLU 71 3.982 -9.161 4.604 539 HB2 GLU 71 1HB GLU 71 5.230 -10.560 6.047 540 HB3 GLU 71 2HB GLU 71 4.880 -11.992 5.091 541 HG2 GLU 71 1HG GLU 71 6.304 -11.214 3.315 542 HG3 GLU 71 2HG GLU 71 6.574 -9.688 4.156 543 H LYS 72 H LYS 72 2.735 -12.041 3.092 544 HA LYS 72 HA LYS 72 4.131 -11.683 0.611 545 HB2 LYS 72 1HB LYS 72 1.879 -13.447 1.527 546 HB3 LYS 72 2HB LYS 72 2.311 -13.355 -0.176 547 HG2 LYS 72 1HG LYS 72 4.327 -14.004 1.949 548 HG3 LYS 72 2HG LYS 72 3.330 -15.241 1.180 549 HD2 LYS 72 1HD LYS 72 4.192 -14.527 -1.019 550 HD3 LYS 72 2HD LYS 72 5.231 -13.351 -0.210 551 HE2 LYS 72 1HE LYS 72 6.619 -15.196 -0.607 552 HE3 LYS 72 2HE LYS 72 6.169 -15.334 1.093 553 HZ1 LYS 72 1HZ LYS 72 4.390 -16.894 0.365 554 HZ2 LYS 72 2HZ LYS 72 5.961 -17.467 0.114 555 HZ3 LYS 72 3HZ LYS 72 5.061 -16.871 -1.188 556 H ASN 73 H ASN 73 0.671 -11.437 1.460 557 HA ASN 73 HA ASN 73 -0.196 -10.286 -0.911 558 HB2 ASN 73 1HB ASN 73 -1.239 -10.161 1.907 559 HB3 ASN 73 2HB ASN 73 -2.045 -9.292 0.605 560 HD21 ASN 73 1HD2 ASN 73 -3.323 -11.254 2.040 561 HD22 ASN 73 2HD2 ASN 73 -3.613 -12.616 1.017 562 H THR 74 H THR 74 0.577 -8.600 2.136 563 HA THR 74 HA THR 74 0.219 -6.010 1.469 564 HB THR 74 HB THR 74 2.267 -5.470 2.877 565 HG1 THR 74 1HG THR 74 2.291 -8.280 3.330 566 HG21 THR 74 1HG2 THR 74 -0.244 -6.275 3.589 567 HG22 THR 74 2HG2 THR 74 0.969 -5.649 4.707 568 HG23 THR 74 3HG2 THR 74 0.766 -7.390 4.510 569 H GLU 75 H GLU 75 3.092 -7.931 0.644 570 HA GLU 75 HA GLU 75 4.470 -5.856 -0.684 571 HB2 GLU 75 1HB GLU 75 4.667 -8.859 -0.851 572 HB3 GLU 75 2HB GLU 75 5.717 -7.794 -1.775 573 HG2 GLU 75 1HG GLU 75 5.478 -7.553 1.200 574 HG3 GLU 75 2HG GLU 75 6.576 -8.712 0.450 575 H ALA 76 H ALA 76 2.103 -8.219 -1.754 576 HA ALA 76 HA ALA 76 2.404 -7.745 -4.538 577 HB1 ALA 76 1HB ALA 76 -0.248 -8.608 -3.912 578 HB2 ALA 76 2HB ALA 76 1.069 -9.512 -4.662 579 HB3 ALA 76 3HB ALA 76 0.907 -9.484 -2.906 580 H ALA 77 H ALA 77 0.468 -6.277 -2.008 581 HA ALA 77 HA ALA 77 -1.092 -4.703 -3.865 582 HB1 ALA 77 1HB ALA 77 -1.814 -5.600 -1.545 583 HB2 ALA 77 2HB ALA 77 -0.975 -4.180 -0.922 584 HB3 ALA 77 3HB ALA 77 -2.324 -3.987 -2.041 585 H ARG 78 H ARG 78 1.674 -4.251 -1.737 586 HA ARG 78 HA ARG 78 1.813 -1.435 -1.926 587 HB2 ARG 78 1HB ARG 78 3.798 -1.596 -0.760 588 HB3 ARG 78 2HB ARG 78 3.026 -3.115 -0.323 589 HG2 ARG 78 1HG ARG 78 5.091 -3.891 -0.845 590 HG3 ARG 78 2HG ARG 78 4.352 -3.975 -2.446 591 HD2 ARG 78 1HD ARG 78 5.248 -1.585 -2.756 592 HD3 ARG 78 2HD ARG 78 6.267 -1.938 -1.360 593 HE ARG 78 HE ARG 78 6.383 -3.879 -3.503 594 HH11 ARG 78 1HH1 ARG 78 7.750 -1.005 -2.093 595 HH12 ARG 78 2HH1 ARG 78 9.288 -1.198 -2.867 596 HH21 ARG 78 1HH2 ARG 78 8.404 -4.146 -4.527 597 HH22 ARG 78 2HH2 ARG 78 9.658 -2.986 -4.252 598 H ASP 79 H ASP 79 2.775 -3.991 -4.051 599 HA ASP 79 HA ASP 79 4.727 -2.640 -5.563 600 HB2 ASP 79 1HB ASP 79 4.111 -5.139 -5.578 601 HB3 ASP 79 2HB ASP 79 2.840 -4.688 -6.712 602 H ALA 80 H ALA 80 1.222 -2.674 -5.719 603 HA ALA 80 HA ALA 80 0.874 -1.484 -8.230 604 HB1 ALA 80 1HB ALA 80 -0.765 -2.028 -5.894 605 HB2 ALA 80 2HB ALA 80 -1.230 -0.539 -6.717 606 HB3 ALA 80 3HB ALA 80 -1.187 -2.062 -7.605 607 H ILE 81 H ILE 81 0.746 0.091 -5.027 608 HA ILE 81 HA ILE 81 0.442 2.682 -5.632 609 HB ILE 81 HB ILE 81 2.531 1.630 -3.720 610 HG12 ILE 81 1HG1 ILE 81 -0.289 2.545 -3.138 611 HG13 ILE 81 2HG1 ILE 81 0.144 0.860 -3.398 612 HG21 ILE 81 1HG2 ILE 81 3.040 3.724 -3.187 613 HG22 ILE 81 2HG2 ILE 81 2.075 4.261 -4.561 614 HG23 ILE 81 3HG2 ILE 81 1.339 4.131 -2.964 615 HD11 ILE 81 1HD1 ILE 81 1.900 1.951 -1.449 616 HD12 ILE 81 2HD1 ILE 81 0.237 2.342 -1.006 617 HD13 ILE 81 3HD1 ILE 81 0.706 0.664 -1.275 618 H LEU 82 H LEU 82 3.425 0.854 -6.104 619 HA LEU 82 HA LEU 82 4.895 3.144 -7.042 620 HB2 LEU 82 1HB LEU 82 5.610 0.235 -7.344 621 HB3 LEU 82 2HB LEU 82 6.698 1.619 -7.436 622 HG LEU 82 HG LEU 82 5.246 0.768 -4.933 623 HD11 LEU 82 1HD1 LEU 82 7.520 -0.013 -4.225 624 HD12 LEU 82 2HD1 LEU 82 8.025 0.147 -5.906 625 HD13 LEU 82 3HD1 LEU 82 6.750 -0.992 -5.475 626 HD21 LEU 82 1HD2 LEU 82 5.957 2.688 -4.086 627 HD22 LEU 82 2HD2 LEU 82 6.635 3.133 -5.653 628 HD23 LEU 82 3HD2 LEU 82 7.621 2.257 -4.481 629 H ARG 83 H ARG 83 3.583 0.195 -8.546 630 HA ARG 83 HA ARG 83 4.331 0.498 -11.137 631 HB2 ARG 83 1HB ARG 83 2.691 -1.204 -9.943 632 HB3 ARG 83 2HB ARG 83 1.462 -0.160 -10.644 633 HG2 ARG 83 1HG ARG 83 1.940 -0.790 -12.779 634 HG3 ARG 83 2HG ARG 83 3.635 -1.123 -12.418 635 HD2 ARG 83 1HD ARG 83 1.567 -2.832 -11.139 636 HD3 ARG 83 2HD ARG 83 1.884 -3.063 -12.857 637 HE ARG 83 HE ARG 83 3.508 -3.937 -10.722 638 HH11 ARG 83 1HH1 ARG 83 3.721 -2.519 -13.894 639 HH12 ARG 83 2HH1 ARG 83 5.282 -3.189 -14.232 640 HH21 ARG 83 1HH2 ARG 83 5.562 -4.826 -11.155 641 HH22 ARG 83 2HH2 ARG 83 6.328 -4.503 -12.674 642 H ILE 84 H ILE 84 1.936 2.379 -9.415 643 HA ILE 84 HA ILE 84 0.956 3.705 -11.778 644 HB ILE 84 HB ILE 84 0.560 4.558 -8.911 645 HG12 ILE 84 1HG1 ILE 84 -1.389 2.880 -10.463 646 HG13 ILE 84 2HG1 ILE 84 -0.083 2.120 -9.560 647 HG21 ILE 84 1HG2 ILE 84 -0.763 6.151 -9.718 648 HG22 ILE 84 2HG2 ILE 84 -0.158 5.751 -11.324 649 HG23 ILE 84 3HG2 ILE 84 -1.635 4.998 -10.726 650 HD11 ILE 84 1HD1 ILE 84 -1.383 4.021 -7.885 651 HD12 ILE 84 2HD1 ILE 84 -2.590 2.962 -8.616 652 HD13 ILE 84 3HD1 ILE 84 -1.252 2.273 -7.696 653 H VAL 85 H VAL 85 2.651 4.895 -8.868 654 HA VAL 85 HA VAL 85 3.238 7.429 -9.507 655 HB VAL 85 HB VAL 85 5.223 5.451 -8.380 656 HG11 VAL 85 1HG1 VAL 85 5.931 7.791 -7.282 657 HG12 VAL 85 2HG1 VAL 85 6.648 7.166 -8.768 658 HG13 VAL 85 3HG1 VAL 85 5.356 8.365 -8.847 659 HG21 VAL 85 1HG2 VAL 85 4.351 5.847 -6.297 660 HG22 VAL 85 2HG2 VAL 85 3.715 7.430 -6.742 661 HG23 VAL 85 3HG2 VAL 85 2.890 5.966 -7.279 662 H GLY 86 H GLY 86 4.757 4.591 -10.938 663 HA2 GLY 86 1HA GLY 86 6.823 5.911 -12.326 664 HA3 GLY 86 2HA GLY 86 6.139 4.349 -12.754 665 H GLU 87 H GLU 87 3.507 5.111 -13.296 666 HA GLU 87 HA GLU 87 3.815 6.121 -15.948 667 HB2 GLU 87 1HB GLU 87 1.640 5.469 -16.297 668 HB3 GLU 87 2HB GLU 87 2.055 4.444 -14.930 669 HG2 GLU 87 1HG GLU 87 0.957 5.964 -13.409 670 HG3 GLU 87 2HG GLU 87 0.616 7.079 -14.730 671 H LEU 88 H LEU 88 2.381 7.393 -12.967 672 HA LEU 88 HA LEU 88 1.324 9.760 -13.954 673 HB2 LEU 88 1HB LEU 88 2.674 9.555 -11.280 674 HB3 LEU 88 2HB LEU 88 1.294 10.554 -11.734 675 HG LEU 88 HG LEU 88 1.326 7.565 -11.332 676 HD11 LEU 88 1HD1 LEU 88 0.617 7.981 -9.272 677 HD12 LEU 88 2HD1 LEU 88 -0.642 9.063 -9.865 678 HD13 LEU 88 3HD1 LEU 88 0.976 9.686 -9.545 679 HD21 LEU 88 1HD2 LEU 88 -1.080 9.224 -12.019 680 HD22 LEU 88 2HD2 LEU 88 -0.913 7.469 -12.018 681 HD23 LEU 88 3HD2 LEU 88 -0.107 8.432 -13.258 682 H GLU 89 H GLU 89 4.631 8.960 -13.079 683 HA GLU 89 HA GLU 89 5.714 11.542 -13.072 684 HB2 GLU 89 1HB GLU 89 6.796 8.794 -13.423 685 HB3 GLU 89 2HB GLU 89 7.823 10.136 -13.910 686 HG2 GLU 89 1HG GLU 89 7.222 11.075 -11.552 687 HG3 GLU 89 2HG GLU 89 6.834 9.392 -11.201 688 H GLN 90 H GLN 90 5.581 9.152 -15.709 689 HA GLN 90 HA GLN 90 6.810 10.605 -17.700 690 HB2 GLN 90 1HB GLN 90 6.209 8.304 -18.057 691 HB3 GLN 90 2HB GLN 90 4.498 8.672 -17.888 692 HG2 GLN 90 1HG GLN 90 4.909 8.381 -20.191 693 HG3 GLN 90 2HG GLN 90 4.707 10.112 -19.928 694 HE21 GLN 90 1HE2 GLN 90 6.064 11.274 -21.069 695 HE22 GLN 90 2HE2 GLN 90 7.691 10.853 -21.468 696 H MET 91 H MET 91 3.384 10.660 -16.764 697 HA MET 91 HA MET 91 2.374 12.328 -18.708 698 HB2 MET 91 1HB MET 91 1.617 12.419 -15.785 699 HB3 MET 91 2HB MET 91 0.617 12.903 -17.148 700 HG2 MET 91 1HG MET 91 0.560 10.595 -17.934 701 HG3 MET 91 2HG MET 91 1.571 10.108 -16.576 702 HE1 MET 91 1HE MET 91 -2.279 10.988 -17.586 703 HE2 MET 91 2HE MET 91 -2.623 11.904 -16.118 704 HE3 MET 91 3HE MET 91 -1.345 12.438 -17.212 705 H SER 92 H SER 92 1.636 14.645 -18.356 706 HA SER 92 HA SER 92 3.914 16.205 -17.332 707 HB2 SER 92 1HB SER 92 3.224 17.957 -18.938 708 HB3 SER 92 2HB SER 92 3.596 16.435 -19.746 709 HG SER 92 HG SER 92 1.400 16.039 -19.948 710 H GLY 93 H GLY 93 3.594 17.582 -15.702 711 HA2 GLY 93 1HA GLY 93 1.017 18.820 -15.259 712 HA3 GLY 93 2HA GLY 93 1.472 17.644 -14.034 713 HA PRO 94 HA PRO 94 3.912 20.586 -11.897 714 HB2 PRO 94 1HB PRO 94 6.189 19.240 -11.284 715 HB3 PRO 94 2HB PRO 94 4.634 18.901 -10.513 716 HG2 PRO 94 1HG PRO 94 5.990 17.459 -12.758 717 HG3 PRO 94 2HG PRO 94 5.140 16.792 -11.352 718 HD2 PRO 94 1HD PRO 94 3.997 16.958 -13.801 719 HD3 PRO 94 2HD PRO 94 3.062 17.110 -12.300 720 H SER 95 H SER 95 6.264 21.502 -11.748 721 HA SER 95 HA SER 95 7.360 21.743 -14.472 722 HB2 SER 95 1HB SER 95 6.041 23.757 -13.756 723 HB3 SER 95 2HB SER 95 7.200 23.987 -12.446 724 HG SER 95 HG SER 95 8.398 24.977 -13.844 725 H SER 96 H SER 96 7.933 21.460 -11.069 726 HA SER 96 HA SER 96 10.726 20.844 -11.586 727 HB2 SER 96 1HB SER 96 9.864 23.053 -9.708 728 HB3 SER 96 2HB SER 96 11.474 22.332 -9.700 729 HG SER 96 HG SER 96 11.411 24.218 -10.977 730 H GLY 97 H GLY 97 11.645 19.477 -10.063 731 HA2 GLY 97 1HA GLY 97 10.017 18.738 -7.737 732 HA3 GLY 97 2HA GLY 97 10.422 17.483 -8.899 Start of MODEL 4 1 H1 GLY 1 H GLY 1 9.915 -43.150 14.326 2 HA2 GLY 1 1HA GLY 1 7.331 -42.058 14.496 3 HA3 GLY 1 2HA GLY 1 8.021 -42.096 16.112 4 H SER 2 H SER 2 7.340 -39.700 15.013 5 HA SER 2 HA SER 2 9.955 -38.426 14.780 6 HB2 SER 2 1HB SER 2 8.852 -38.890 12.460 7 HB3 SER 2 2HB SER 2 7.790 -37.550 12.891 8 HG SER 2 HG SER 2 10.333 -37.488 12.005 9 H SER 3 H SER 3 9.751 -36.005 14.946 10 HA SER 3 HA SER 3 7.481 -35.291 16.686 11 HB2 SER 3 1HB SER 3 10.417 -34.789 16.999 12 HB3 SER 3 2HB SER 3 9.271 -33.620 17.656 13 HG SER 3 HG SER 3 9.458 -36.382 18.273 14 H GLY 4 H GLY 4 7.022 -32.944 16.774 15 HA2 GLY 4 1HA GLY 4 7.555 -31.694 14.149 16 HA3 GLY 4 2HA GLY 4 6.040 -31.520 15.021 17 H SER 5 H SER 5 6.148 -29.274 15.054 18 HA SER 5 HA SER 5 8.169 -28.186 16.898 19 HB2 SER 5 1HB SER 5 8.380 -27.589 14.359 20 HB3 SER 5 2HB SER 5 7.028 -26.506 14.687 21 HG SER 5 HG SER 5 9.481 -26.521 16.116 22 H SER 6 H SER 6 7.465 -26.039 17.829 23 HA SER 6 HA SER 6 5.319 -26.218 19.436 24 HB2 SER 6 1HB SER 6 6.344 -23.693 18.120 25 HB3 SER 6 2HB SER 6 5.258 -23.721 19.510 26 HG SER 6 HG SER 6 7.951 -24.531 19.339 27 H GLY 7 H GLY 7 5.262 -24.988 16.117 28 HA2 GLY 7 1HA GLY 7 2.640 -25.860 15.612 29 HA3 GLY 7 2HA GLY 7 2.576 -24.164 16.068 30 H GLU 8 H GLU 8 1.992 -25.537 13.498 31 HA GLU 8 HA GLU 8 4.086 -24.603 11.719 32 HB2 GLU 8 1HB GLU 8 1.458 -26.008 11.251 33 HB3 GLU 8 2HB GLU 8 2.485 -25.450 9.937 34 HG2 GLU 8 1HG GLU 8 4.082 -27.034 10.320 35 HG3 GLU 8 2HG GLU 8 3.694 -27.170 12.034 36 H GLN 9 H GLN 9 0.573 -24.028 11.990 37 HA GLN 9 HA GLN 9 0.489 -21.833 10.258 38 HB2 GLN 9 1HB GLN 9 -1.313 -22.499 12.592 39 HB3 GLN 9 2HB GLN 9 -1.674 -21.304 11.354 40 HG2 GLN 9 1HG GLN 9 -1.777 -22.991 9.663 41 HG3 GLN 9 2HG GLN 9 -1.203 -24.220 10.789 42 HE21 GLN 9 1HE2 GLN 9 -3.891 -22.271 9.791 43 HE22 GLN 9 2HE2 GLN 9 -5.101 -23.109 10.696 44 H GLU 10 H GLU 10 1.494 -19.953 10.458 45 HA GLU 10 HA GLU 10 1.724 -18.765 13.145 46 HB2 GLU 10 1HB GLU 10 3.894 -19.601 12.145 47 HB3 GLU 10 2HB GLU 10 3.705 -18.374 10.902 48 HG2 GLU 10 1HG GLU 10 3.849 -16.618 12.519 49 HG3 GLU 10 2HG GLU 10 3.823 -17.778 13.847 50 H ASP 11 H ASP 11 -0.487 -18.275 11.587 51 HA ASP 11 HA ASP 11 -0.226 -15.984 9.931 52 HB2 ASP 11 1HB ASP 11 -2.718 -15.827 10.210 53 HB3 ASP 11 2HB ASP 11 -2.145 -17.393 9.644 54 H ARG 12 H ARG 12 -1.261 -16.414 13.303 55 HA ARG 12 HA ARG 12 -2.055 -13.979 14.083 56 HB2 ARG 12 1HB ARG 12 -0.939 -14.370 16.270 57 HB3 ARG 12 2HB ARG 12 -1.826 -15.770 15.679 58 HG2 ARG 12 1HG ARG 12 0.289 -16.744 14.883 59 HG3 ARG 12 2HG ARG 12 1.155 -15.360 15.552 60 HD2 ARG 12 1HD ARG 12 1.368 -16.865 17.269 61 HD3 ARG 12 2HD ARG 12 -0.109 -16.029 17.749 62 HE ARG 12 HE ARG 12 -1.264 -17.978 17.438 63 HH11 ARG 12 1HH1 ARG 12 1.815 -18.218 15.831 64 HH12 ARG 12 2HH1 ARG 12 1.628 -19.896 15.442 65 HH21 ARG 12 1HH2 ARG 12 -1.522 -20.186 16.931 66 HH22 ARG 12 2HH2 ARG 12 -0.271 -21.014 16.067 67 H ALA 13 H ALA 13 1.230 -14.837 13.210 68 HA ALA 13 HA ALA 13 2.231 -12.201 13.936 69 HB1 ALA 13 1HB ALA 13 3.444 -14.523 14.165 70 HB2 ALA 13 2HB ALA 13 3.904 -14.196 12.493 71 HB3 ALA 13 3HB ALA 13 4.347 -13.060 13.767 72 H LEU 14 H LEU 14 1.780 -14.185 11.029 73 HA LEU 14 HA LEU 14 2.866 -12.511 9.125 74 HB2 LEU 14 1HB LEU 14 0.459 -14.312 8.964 75 HB3 LEU 14 2HB LEU 14 1.173 -13.517 7.562 76 HG LEU 14 HG LEU 14 2.885 -15.261 9.275 77 HD11 LEU 14 1HD1 LEU 14 0.517 -16.148 7.909 78 HD12 LEU 14 2HD1 LEU 14 1.653 -17.066 8.896 79 HD13 LEU 14 3HD1 LEU 14 1.958 -16.850 7.173 80 HD21 LEU 14 1HD2 LEU 14 3.523 -13.759 7.204 81 HD22 LEU 14 2HD2 LEU 14 2.925 -15.151 6.302 82 HD23 LEU 14 3HD2 LEU 14 4.254 -15.345 7.447 83 H ARG 15 H ARG 15 -0.494 -12.540 10.306 84 HA ARG 15 HA ARG 15 -1.384 -10.370 8.756 85 HB2 ARG 15 1HB ARG 15 -3.291 -10.291 10.257 86 HB3 ARG 15 2HB ARG 15 -2.891 -11.964 9.888 87 HG2 ARG 15 1HG ARG 15 -1.689 -12.098 12.054 88 HG3 ARG 15 2HG ARG 15 -2.259 -10.468 12.422 89 HD2 ARG 15 1HD ARG 15 -4.169 -12.658 11.682 90 HD3 ARG 15 2HD ARG 15 -3.590 -12.472 13.337 91 HE ARG 15 HE ARG 15 -5.588 -10.928 12.077 92 HH11 ARG 15 1HH1 ARG 15 -2.875 -10.626 14.237 93 HH12 ARG 15 2HH1 ARG 15 -3.508 -9.232 15.048 94 HH21 ARG 15 1HH2 ARG 15 -6.432 -9.093 13.136 95 HH22 ARG 15 2HH2 ARG 15 -5.532 -8.361 14.422 96 H SER 16 H SER 16 0.603 -10.503 11.540 97 HA SER 16 HA SER 16 0.109 -7.704 12.222 98 HB2 SER 16 1HB SER 16 1.634 -9.929 13.564 99 HB3 SER 16 2HB SER 16 1.824 -8.249 14.067 100 HG SER 16 HG SER 16 -0.750 -9.345 13.823 101 H PHE 17 H PHE 17 1.270 -8.181 9.704 102 HA PHE 17 HA PHE 17 4.070 -7.370 10.086 103 HB2 PHE 17 1HB PHE 17 4.173 -9.160 8.631 104 HB3 PHE 17 2HB PHE 17 2.616 -8.788 7.896 105 HD1 PHE 17 2HD PHE 17 2.453 -6.917 6.258 106 HD2 PHE 17 1HD PHE 17 6.186 -8.346 7.722 107 HE1 PHE 17 2HE PHE 17 3.603 -5.834 4.372 108 HE2 PHE 17 1HE PHE 17 7.343 -7.263 5.838 109 HZ PHE 17 HZ PHE 17 6.051 -6.006 4.160 110 H LYS 18 H LYS 18 4.512 -5.286 9.902 111 HA LYS 18 HA LYS 18 2.668 -3.571 8.388 112 HB2 LYS 18 1HB LYS 18 3.121 -3.095 10.832 113 HB3 LYS 18 2HB LYS 18 4.769 -2.690 10.369 114 HG2 LYS 18 1HG LYS 18 4.049 -0.836 9.086 115 HG3 LYS 18 2HG LYS 18 2.360 -1.335 9.190 116 HD2 LYS 18 1HD LYS 18 3.856 -0.805 11.713 117 HD3 LYS 18 2HD LYS 18 3.321 0.568 10.740 118 HE2 LYS 18 1HE LYS 18 1.074 0.043 11.013 119 HE3 LYS 18 2HE LYS 18 1.416 -1.633 11.438 120 HZ1 LYS 18 1HZ LYS 18 1.106 0.593 13.142 121 HZ2 LYS 18 2HZ LYS 18 2.659 -0.047 13.344 122 HZ3 LYS 18 3HZ LYS 18 1.303 -1.037 13.553 123 H LEU 19 H LEU 19 3.297 -2.787 6.492 124 HA LEU 19 HA LEU 19 6.170 -2.811 5.851 125 HB2 LEU 19 1HB LEU 19 5.106 -4.242 4.347 126 HB3 LEU 19 2HB LEU 19 3.712 -3.177 4.179 127 HG LEU 19 HG LEU 19 5.452 -1.565 3.071 128 HD11 LEU 19 1HD1 LEU 19 7.426 -2.879 3.569 129 HD12 LEU 19 2HD1 LEU 19 7.177 -2.791 1.826 130 HD13 LEU 19 3HD1 LEU 19 6.753 -4.260 2.703 131 HD21 LEU 19 1HD2 LEU 19 4.802 -2.370 0.939 132 HD22 LEU 19 2HD2 LEU 19 3.465 -2.715 2.037 133 HD23 LEU 19 3HD2 LEU 19 4.565 -4.007 1.552 134 H SER 20 H SER 20 7.049 -1.061 4.650 135 HA SER 20 HA SER 20 5.456 1.415 4.758 136 HB2 SER 20 1HB SER 20 7.158 2.607 5.756 137 HB3 SER 20 2HB SER 20 7.428 1.027 6.489 138 HG SER 20 HG SER 20 9.183 0.744 5.289 139 H VAL 21 H VAL 21 5.142 2.188 2.789 140 HA VAL 21 HA VAL 21 7.055 1.536 0.665 141 HB VAL 21 HB VAL 21 4.463 2.925 0.132 142 HG11 VAL 21 1HG1 VAL 21 5.791 2.652 -1.782 143 HG12 VAL 21 2HG1 VAL 21 6.253 1.010 -1.334 144 HG13 VAL 21 3HG1 VAL 21 4.607 1.348 -1.870 145 HG21 VAL 21 1HG2 VAL 21 3.954 1.072 1.698 146 HG22 VAL 21 2HG2 VAL 21 3.247 0.846 0.098 147 HG23 VAL 21 3HG2 VAL 21 4.695 -0.052 0.558 148 H THR 22 H THR 22 8.315 3.030 -0.259 149 HA THR 22 HA THR 22 8.170 5.764 0.749 150 HB THR 22 HB THR 22 10.292 4.620 -1.067 151 HG1 THR 22 1HG THR 22 11.348 3.916 0.716 152 HG21 THR 22 1HG2 THR 22 10.451 6.974 -1.002 153 HG22 THR 22 2HG2 THR 22 11.651 6.398 0.155 154 HG23 THR 22 3HG2 THR 22 10.107 7.030 0.725 155 H VAL 23 H VAL 23 6.718 6.957 -0.346 156 HA VAL 23 HA VAL 23 7.199 7.410 -3.176 157 HB VAL 23 HB VAL 23 4.533 6.451 -2.136 158 HG11 VAL 23 1HG1 VAL 23 5.216 7.660 -4.814 159 HG12 VAL 23 2HG1 VAL 23 3.693 6.860 -4.422 160 HG13 VAL 23 3HG1 VAL 23 4.150 8.347 -3.589 161 HG21 VAL 23 1HG2 VAL 23 6.219 4.730 -2.743 162 HG22 VAL 23 2HG2 VAL 23 4.768 4.678 -3.744 163 HG23 VAL 23 3HG2 VAL 23 6.252 5.393 -4.376 164 H ASP 24 H ASP 24 7.001 9.505 -3.656 165 HA ASP 24 HA ASP 24 6.696 11.508 -1.827 166 HB2 ASP 24 1HB ASP 24 5.894 11.646 -4.741 167 HB3 ASP 24 2HB ASP 24 6.264 13.023 -3.707 168 HA PRO 25 HA PRO 25 2.443 11.645 -0.702 169 HB2 PRO 25 1HB PRO 25 2.306 14.221 0.141 170 HB3 PRO 25 2HB PRO 25 3.110 12.949 1.068 171 HG2 PRO 25 1HG PRO 25 4.302 15.019 -0.736 172 HG3 PRO 25 2HG PRO 25 4.863 14.461 0.851 173 HD2 PRO 25 1HD PRO 25 5.963 13.600 -1.469 174 HD3 PRO 25 2HD PRO 25 5.856 12.574 -0.024 175 H LYS 26 H LYS 26 3.748 13.292 -3.319 176 HA LYS 26 HA LYS 26 1.526 14.939 -4.023 177 HB2 LYS 26 1HB LYS 26 2.649 15.176 -6.184 178 HB3 LYS 26 2HB LYS 26 3.782 15.397 -4.859 179 HG2 LYS 26 1HG LYS 26 4.706 13.219 -5.194 180 HG3 LYS 26 2HG LYS 26 3.456 12.819 -6.375 181 HD2 LYS 26 1HD LYS 26 4.376 14.179 -8.004 182 HD3 LYS 26 2HD LYS 26 5.220 15.190 -6.827 183 HE2 LYS 26 1HE LYS 26 5.977 12.319 -7.047 184 HE3 LYS 26 2HE LYS 26 6.510 13.429 -8.309 185 HZ1 LYS 26 1HZ LYS 26 8.071 13.104 -6.381 186 HZ2 LYS 26 2HZ LYS 26 6.962 13.958 -5.431 187 HZ3 LYS 26 3HZ LYS 26 7.696 14.710 -6.756 188 H TYR 27 H TYR 27 2.415 11.615 -4.597 189 HA TYR 27 HA TYR 27 0.217 11.268 -6.493 190 HB2 TYR 27 1HB TYR 27 2.300 9.278 -5.568 191 HB3 TYR 27 2HB TYR 27 1.138 9.033 -6.867 192 HD1 TYR 27 2HD TYR 27 1.273 11.575 -8.317 193 HD2 TYR 27 1HD TYR 27 4.393 9.262 -6.578 194 HE1 TYR 27 2HE TYR 27 2.869 12.528 -9.928 195 HE2 TYR 27 1HE TYR 27 5.998 10.210 -8.183 196 HH TYR 27 HH TYR 27 6.298 11.593 -9.888 197 H HIS 28 H HIS 28 0.993 10.779 -3.191 198 HA HIS 28 HA HIS 28 -0.425 8.611 -2.368 199 HB2 HIS 28 1HB HIS 28 0.166 11.253 -1.162 200 HB3 HIS 28 2HB HIS 28 -1.117 10.320 -0.397 201 HD2 HIS 28 2HD HIS 28 1.756 8.156 -1.743 202 HE1 HIS 28 1HE HIS 28 2.360 8.613 2.431 203 HE2 HIS 28 2HE HIS 28 3.137 7.461 0.331 204 HA PRO 29 HA PRO 29 -4.569 11.085 -2.260 205 HB2 PRO 29 1HB PRO 29 -4.592 13.542 -3.414 206 HB3 PRO 29 2HB PRO 29 -4.190 13.284 -1.713 207 HG2 PRO 29 1HG PRO 29 -2.365 13.687 -4.051 208 HG3 PRO 29 2HG PRO 29 -2.267 14.382 -2.423 209 HD2 PRO 29 1HD PRO 29 -0.760 12.271 -3.199 210 HD3 PRO 29 2HD PRO 29 -1.328 12.475 -1.529 211 H LYS 30 H LYS 30 -2.483 10.690 -4.873 212 HA LYS 30 HA LYS 30 -4.578 10.986 -6.890 213 HB2 LYS 30 1HB LYS 30 -1.616 10.443 -7.096 214 HB3 LYS 30 2HB LYS 30 -2.695 10.437 -8.483 215 HG2 LYS 30 1HG LYS 30 -2.655 12.826 -6.711 216 HG3 LYS 30 2HG LYS 30 -1.327 12.574 -7.846 217 HD2 LYS 30 1HD LYS 30 -2.686 12.814 -9.693 218 HD3 LYS 30 2HD LYS 30 -4.142 12.345 -8.813 219 HE2 LYS 30 1HE LYS 30 -4.230 14.702 -9.312 220 HE3 LYS 30 2HE LYS 30 -4.036 14.479 -7.574 221 HZ1 LYS 30 1HZ LYS 30 -1.487 14.647 -8.432 222 HZ2 LYS 30 2HZ LYS 30 -2.378 15.936 -7.797 223 HZ3 LYS 30 3HZ LYS 30 -2.268 15.729 -9.472 224 H ILE 31 H ILE 31 -3.082 8.591 -4.977 225 HA ILE 31 HA ILE 31 -3.738 6.408 -6.783 226 HB ILE 31 HB ILE 31 -2.664 6.256 -3.966 227 HG12 ILE 31 1HG1 ILE 31 -0.963 5.804 -6.376 228 HG13 ILE 31 2HG1 ILE 31 -1.318 7.464 -5.910 229 HG21 ILE 31 1HG2 ILE 31 -2.965 4.247 -6.179 230 HG22 ILE 31 2HG2 ILE 31 -1.861 4.005 -4.826 231 HG23 ILE 31 3HG2 ILE 31 -3.593 4.169 -4.533 232 HD11 ILE 31 1HD1 ILE 31 0.763 6.005 -4.983 233 HD12 ILE 31 2HD1 ILE 31 0.053 7.385 -4.146 234 HD13 ILE 31 3HD1 ILE 31 -0.431 5.746 -3.712 235 H ILE 32 H ILE 32 -4.899 7.852 -3.800 236 HA ILE 32 HA ILE 32 -6.669 5.867 -2.966 237 HB ILE 32 HB ILE 32 -6.883 8.864 -2.682 238 HG12 ILE 32 1HG1 ILE 32 -6.142 6.856 -0.564 239 HG13 ILE 32 2HG1 ILE 32 -4.932 7.535 -1.646 240 HG21 ILE 32 1HG2 ILE 32 -8.519 6.659 -1.453 241 HG22 ILE 32 2HG2 ILE 32 -8.433 8.286 -0.777 242 HG23 ILE 32 3HG2 ILE 32 -9.083 8.038 -2.398 243 HD11 ILE 32 1HD1 ILE 32 -4.783 9.353 -0.401 244 HD12 ILE 32 2HD1 ILE 32 -6.520 9.635 -0.525 245 HD13 ILE 32 3HD1 ILE 32 -5.883 8.602 0.756 246 H GLY 33 H GLY 33 -7.255 8.647 -5.114 247 HA2 GLY 33 1HA GLY 33 -8.613 8.321 -7.100 248 HA3 GLY 33 2HA GLY 33 -9.588 7.185 -6.177 249 H ARG 34 H ARG 34 -10.803 9.192 -7.582 250 HA ARG 34 HA ARG 34 -11.294 11.637 -6.635 251 HB2 ARG 34 1HB ARG 34 -12.591 10.213 -8.398 252 HB3 ARG 34 2HB ARG 34 -13.680 9.873 -7.059 253 HG2 ARG 34 1HG ARG 34 -14.702 11.689 -7.990 254 HG3 ARG 34 2HG ARG 34 -13.672 12.479 -6.796 255 HD2 ARG 34 1HD ARG 34 -11.958 12.773 -8.593 256 HD3 ARG 34 2HD ARG 34 -13.149 12.169 -9.746 257 HE ARG 34 HE ARG 34 -14.111 14.232 -9.731 258 HH11 ARG 34 1HH1 ARG 34 -12.260 13.857 -6.806 259 HH12 ARG 34 2HH1 ARG 34 -12.536 15.481 -6.269 260 HH21 ARG 34 1HH2 ARG 34 -14.482 16.372 -9.034 261 HH22 ARG 34 2HH2 ARG 34 -13.800 16.910 -7.536 262 H LYS 35 H LYS 35 -13.261 8.932 -5.397 263 HA LYS 35 HA LYS 35 -13.570 10.410 -2.880 264 HB2 LYS 35 1HB LYS 35 -15.566 9.555 -4.287 265 HB3 LYS 35 2HB LYS 35 -15.145 7.970 -3.654 266 HG2 LYS 35 1HG LYS 35 -15.520 8.704 -1.402 267 HG3 LYS 35 2HG LYS 35 -15.763 10.367 -1.942 268 HD2 LYS 35 1HD LYS 35 -17.486 8.146 -2.983 269 HD3 LYS 35 2HD LYS 35 -17.832 8.904 -1.427 270 HE2 LYS 35 1HE LYS 35 -17.378 10.635 -3.812 271 HE3 LYS 35 2HE LYS 35 -18.922 9.800 -3.646 272 HZ1 LYS 35 1HZ LYS 35 -18.037 12.135 -2.346 273 HZ2 LYS 35 2HZ LYS 35 -18.339 10.945 -1.181 274 HZ3 LYS 35 3HZ LYS 35 -19.556 11.393 -2.269 275 H GLY 36 H GLY 36 -12.449 7.382 -4.240 276 HA2 GLY 36 1HA GLY 36 -10.495 6.529 -2.839 277 HA3 GLY 36 2HA GLY 36 -11.676 6.485 -1.538 278 H ALA 37 H ALA 37 -12.346 5.630 -4.882 279 HA ALA 37 HA ALA 37 -13.199 2.991 -4.006 280 HB1 ALA 37 1HB ALA 37 -13.767 4.748 -6.285 281 HB2 ALA 37 2HB ALA 37 -13.678 3.030 -6.679 282 HB3 ALA 37 3HB ALA 37 -14.809 3.595 -5.448 283 H VAL 38 H VAL 38 -10.866 4.439 -6.243 284 HA VAL 38 HA VAL 38 -9.872 2.193 -7.486 285 HB VAL 38 HB VAL 38 -8.279 4.585 -6.550 286 HG11 VAL 38 1HG1 VAL 38 -6.870 3.932 -8.584 287 HG12 VAL 38 2HG1 VAL 38 -6.696 2.958 -7.123 288 HG13 VAL 38 3HG1 VAL 38 -7.664 2.362 -8.471 289 HG21 VAL 38 1HG2 VAL 38 -10.375 4.819 -8.101 290 HG22 VAL 38 2HG2 VAL 38 -8.889 5.696 -8.470 291 HG23 VAL 38 3HG2 VAL 38 -9.275 4.208 -9.337 292 H ILE 39 H ILE 39 -8.688 3.631 -4.446 293 HA ILE 39 HA ILE 39 -6.773 1.638 -3.912 294 HB ILE 39 HB ILE 39 -6.820 3.876 -2.822 295 HG12 ILE 39 1HG1 ILE 39 -6.330 2.941 -0.465 296 HG13 ILE 39 2HG1 ILE 39 -6.689 1.366 -1.164 297 HG21 ILE 39 1HG2 ILE 39 -8.984 2.711 -1.078 298 HG22 ILE 39 2HG2 ILE 39 -8.296 4.333 -0.995 299 HG23 ILE 39 3HG2 ILE 39 -9.276 3.861 -2.382 300 HD11 ILE 39 1HD1 ILE 39 -4.764 1.299 -2.331 301 HD12 ILE 39 2HD1 ILE 39 -4.754 3.037 -2.629 302 HD13 ILE 39 3HD1 ILE 39 -4.236 2.408 -1.066 303 H THR 40 H THR 40 -10.134 2.021 -2.850 304 HA THR 40 HA THR 40 -10.343 -0.041 -1.042 305 HB THR 40 HB THR 40 -12.421 0.771 -3.085 306 HG1 THR 40 1HG THR 40 -12.378 1.593 -0.387 307 HG21 THR 40 1HG2 THR 40 -12.855 -1.417 -1.977 308 HG22 THR 40 2HG2 THR 40 -14.054 -0.183 -1.590 309 HG23 THR 40 3HG2 THR 40 -12.801 -0.594 -0.419 310 H GLN 41 H GLN 41 -10.480 -0.212 -4.571 311 HA GLN 41 HA GLN 41 -11.171 -2.949 -4.733 312 HB2 GLN 41 1HB GLN 41 -11.504 -1.532 -6.644 313 HB3 GLN 41 2HB GLN 41 -9.799 -1.107 -6.692 314 HG2 GLN 41 1HG GLN 41 -10.294 -2.677 -8.441 315 HG3 GLN 41 2HG GLN 41 -9.253 -3.439 -7.240 316 HE21 GLN 41 1HE2 GLN 41 -9.906 -5.266 -6.291 317 HE22 GLN 41 2HE2 GLN 41 -11.455 -5.998 -6.514 318 H ILE 42 H ILE 42 -8.079 -1.251 -4.641 319 HA ILE 42 HA ILE 42 -6.446 -3.496 -5.173 320 HB ILE 42 HB ILE 42 -5.794 -0.957 -3.672 321 HG12 ILE 42 1HG1 ILE 42 -4.891 -1.594 -6.454 322 HG13 ILE 42 2HG1 ILE 42 -6.529 -1.004 -6.199 323 HG21 ILE 42 1HG2 ILE 42 -4.083 -2.345 -3.015 324 HG22 ILE 42 2HG2 ILE 42 -4.131 -3.287 -4.504 325 HG23 ILE 42 3HG2 ILE 42 -3.421 -1.673 -4.505 326 HD11 ILE 42 1HD1 ILE 42 -4.412 0.540 -4.874 327 HD12 ILE 42 2HD1 ILE 42 -4.406 0.580 -6.637 328 HD13 ILE 42 3HD1 ILE 42 -5.843 1.083 -5.749 329 H ARG 43 H ARG 43 -7.549 -2.008 -2.147 330 HA ARG 43 HA ARG 43 -6.109 -3.550 -0.344 331 HB2 ARG 43 1HB ARG 43 -8.863 -2.335 -0.126 332 HB3 ARG 43 2HB ARG 43 -8.042 -3.101 1.227 333 HG2 ARG 43 1HG ARG 43 -6.402 -1.450 1.328 334 HG3 ARG 43 2HG ARG 43 -6.754 -0.875 -0.303 335 HD2 ARG 43 1HD ARG 43 -8.872 0.024 0.427 336 HD3 ARG 43 2HD ARG 43 -8.640 -0.654 2.037 337 HE ARG 43 HE ARG 43 -6.484 0.931 1.755 338 HH11 ARG 43 1HH1 ARG 43 -9.888 1.472 1.263 339 HH12 ARG 43 2HH1 ARG 43 -9.811 3.156 1.671 340 HH21 ARG 43 1HH2 ARG 43 -6.371 3.145 2.295 341 HH22 ARG 43 2HH2 ARG 43 -7.811 4.105 2.258 342 H LEU 44 H LEU 44 -9.384 -4.155 -1.613 343 HA LEU 44 HA LEU 44 -9.724 -6.642 -0.328 344 HB2 LEU 44 1HB LEU 44 -11.013 -5.376 -2.726 345 HB3 LEU 44 2HB LEU 44 -11.464 -6.986 -2.169 346 HG LEU 44 HG LEU 44 -11.662 -4.499 -0.474 347 HD11 LEU 44 1HD1 LEU 44 -13.673 -4.039 -1.317 348 HD12 LEU 44 2HD1 LEU 44 -14.144 -5.737 -1.355 349 HD13 LEU 44 3HD1 LEU 44 -13.202 -5.055 -2.680 350 HD21 LEU 44 1HD2 LEU 44 -12.066 -7.359 -0.021 351 HD22 LEU 44 2HD2 LEU 44 -13.432 -6.358 0.470 352 HD23 LEU 44 3HD2 LEU 44 -11.827 -6.047 1.134 353 H GLU 45 H GLU 45 -8.477 -5.760 -3.514 354 HA GLU 45 HA GLU 45 -8.323 -8.220 -4.732 355 HB2 GLU 45 1HB GLU 45 -7.693 -6.025 -5.752 356 HB3 GLU 45 2HB GLU 45 -6.182 -6.092 -4.856 357 HG2 GLU 45 1HG GLU 45 -5.745 -6.821 -7.070 358 HG3 GLU 45 2HG GLU 45 -5.668 -8.233 -6.017 359 H HIS 46 H HIS 46 -5.871 -6.740 -2.616 360 HA HIS 46 HA HIS 46 -4.502 -9.322 -2.437 361 HB2 HIS 46 1HB HIS 46 -3.555 -6.746 -1.199 362 HB3 HIS 46 2HB HIS 46 -2.604 -8.157 -1.654 363 HD1 HIS 46 1HD HIS 46 -2.309 -8.529 -4.295 364 HD2 HIS 46 2HD HIS 46 -3.733 -4.808 -3.117 365 HE1 HIS 46 1HE HIS 46 -1.981 -7.023 -6.282 366 H ASP 47 H ASP 47 -7.008 -7.995 -0.947 367 HA ASP 47 HA ASP 47 -7.961 -8.099 1.124 368 HB2 ASP 47 1HB ASP 47 -6.339 -10.626 0.965 369 HB3 ASP 47 2HB ASP 47 -7.302 -10.259 2.394 370 H VAL 48 H VAL 48 -5.879 -6.321 1.100 371 HA VAL 48 HA VAL 48 -4.704 -6.706 3.776 372 HB VAL 48 HB VAL 48 -2.729 -5.439 3.064 373 HG11 VAL 48 1HG1 VAL 48 -1.760 -7.370 2.542 374 HG12 VAL 48 2HG1 VAL 48 -3.371 -8.076 2.398 375 HG13 VAL 48 3HG1 VAL 48 -2.566 -7.413 0.975 376 HG21 VAL 48 1HG2 VAL 48 -4.338 -5.101 0.629 377 HG22 VAL 48 2HG2 VAL 48 -3.092 -4.063 1.320 378 HG23 VAL 48 3HG2 VAL 48 -2.635 -5.466 0.355 379 H ASN 49 H ASN 49 -4.026 -4.589 4.778 380 HA ASN 49 HA ASN 49 -6.114 -2.586 4.258 381 HB2 ASN 49 1HB ASN 49 -6.148 -3.574 6.507 382 HB3 ASN 49 2HB ASN 49 -4.481 -3.066 6.761 383 HD21 ASN 49 1HD2 ASN 49 -7.623 -2.303 7.339 384 HD22 ASN 49 2HD2 ASN 49 -7.455 -0.613 7.656 385 H ILE 50 H ILE 50 -5.483 -0.830 3.209 386 HA ILE 50 HA ILE 50 -2.685 0.048 3.476 387 HB ILE 50 HB ILE 50 -4.629 0.617 1.236 388 HG12 ILE 50 1HG1 ILE 50 -2.092 -0.943 0.935 389 HG13 ILE 50 2HG1 ILE 50 -3.519 -1.747 1.580 390 HG21 ILE 50 1HG2 ILE 50 -1.839 1.535 1.800 391 HG22 ILE 50 2HG2 ILE 50 -2.420 1.396 0.141 392 HG23 ILE 50 3HG2 ILE 50 -3.237 2.471 1.274 393 HD11 ILE 50 1HD1 ILE 50 -2.845 -1.283 -1.109 394 HD12 ILE 50 2HD1 ILE 50 -4.308 -2.024 -0.462 395 HD13 ILE 50 3HD1 ILE 50 -4.254 -0.286 -0.753 396 H GLN 51 H GLN 51 -2.296 1.915 4.466 397 HA GLN 51 HA GLN 51 -4.415 3.945 4.569 398 HB2 GLN 51 1HB GLN 51 -4.165 2.504 6.705 399 HB3 GLN 51 2HB GLN 51 -2.673 3.401 6.956 400 HG2 GLN 51 1HG GLN 51 -3.792 5.422 7.245 401 HG3 GLN 51 2HG GLN 51 -5.272 4.814 6.504 402 HE21 GLN 51 1HE2 GLN 51 -5.543 6.078 8.822 403 HE22 GLN 51 2HE2 GLN 51 -5.870 4.974 10.110 404 H PHE 52 H PHE 52 -3.738 5.923 4.052 405 HA PHE 52 HA PHE 52 -0.866 6.347 3.692 406 HB2 PHE 52 1HB PHE 52 -3.202 8.023 2.749 407 HB3 PHE 52 2HB PHE 52 -1.512 8.273 2.322 408 HD1 PHE 52 2HD PHE 52 -4.295 5.836 2.055 409 HD2 PHE 52 1HD PHE 52 -0.580 7.193 0.482 410 HE1 PHE 52 2HE PHE 52 -4.566 4.333 0.126 411 HE2 PHE 52 1HE PHE 52 -0.846 5.693 -1.450 412 HZ PHE 52 HZ PHE 52 -2.840 4.260 -1.629 413 HA PRO 53 HA PRO 53 -0.438 9.045 7.129 414 HB2 PRO 53 1HB PRO 53 1.475 10.737 6.209 415 HB3 PRO 53 2HB PRO 53 1.813 9.064 6.670 416 HG2 PRO 53 1HG PRO 53 1.381 10.227 3.946 417 HG3 PRO 53 2HG PRO 53 2.590 9.045 4.479 418 HD2 PRO 53 1HD PRO 53 0.333 8.329 3.167 419 HD3 PRO 53 2HD PRO 53 1.100 7.290 4.386 420 H ASP 54 H ASP 54 -0.593 11.316 7.804 421 HA ASP 54 HA ASP 54 -2.273 12.884 5.957 422 HB2 ASP 54 1HB ASP 54 -3.179 11.899 8.243 423 HB3 ASP 54 2HB ASP 54 -2.386 13.325 8.908 424 H LYS 55 H LYS 55 -1.788 14.991 5.597 425 HA LYS 55 HA LYS 55 0.840 15.891 6.209 426 HB2 LYS 55 1HB LYS 55 0.235 17.907 4.999 427 HB3 LYS 55 2HB LYS 55 -0.343 16.494 4.126 428 HG2 LYS 55 1HG LYS 55 -2.192 17.796 3.974 429 HG3 LYS 55 2HG LYS 55 -2.544 16.995 5.508 430 HD2 LYS 55 1HD LYS 55 -2.953 19.266 5.919 431 HD3 LYS 55 2HD LYS 55 -1.354 18.973 6.607 432 HE2 LYS 55 1HE LYS 55 -1.232 21.019 5.404 433 HE3 LYS 55 2HE LYS 55 -0.382 19.806 4.448 434 HZ1 LYS 55 1HZ LYS 55 -3.172 20.014 3.801 435 HZ2 LYS 55 2HZ LYS 55 -1.823 20.020 2.781 436 HZ3 LYS 55 3HZ LYS 55 -2.325 21.453 3.528 437 H ASP 56 H ASP 56 -2.353 16.567 7.509 438 HA ASP 56 HA ASP 56 -1.802 18.833 9.020 439 HB2 ASP 56 1HB ASP 56 -3.655 16.558 9.758 440 HB3 ASP 56 2HB ASP 56 -3.715 18.195 10.403 441 H ASP 57 H ASP 57 -1.361 15.417 9.836 442 HA ASP 57 HA ASP 57 -0.614 15.711 12.505 443 HB2 ASP 57 1HB ASP 57 -1.007 13.576 10.988 444 HB3 ASP 57 2HB ASP 57 0.746 13.650 10.824 445 H GLY 58 H GLY 58 1.590 15.269 9.726 446 HA2 GLY 58 1HA GLY 58 3.568 16.439 9.294 447 HA3 GLY 58 2HA GLY 58 3.416 17.230 10.855 448 H ASN 59 H ASN 59 3.725 15.720 12.776 449 HA ASN 59 HA ASN 59 6.255 14.826 12.992 450 HB2 ASN 59 1HB ASN 59 3.728 13.981 14.342 451 HB3 ASN 59 2HB ASN 59 5.192 13.053 14.655 452 HD21 ASN 59 1HD2 ASN 59 4.468 16.504 14.235 453 HD22 ASN 59 2HD2 ASN 59 5.230 17.013 15.699 454 H GLN 60 H GLN 60 3.595 13.095 11.516 455 HA GLN 60 HA GLN 60 5.211 10.701 11.147 456 HB2 GLN 60 1HB GLN 60 2.393 11.271 10.218 457 HB3 GLN 60 2HB GLN 60 3.197 9.707 10.212 458 HG2 GLN 60 1HG GLN 60 3.149 9.551 12.552 459 HG3 GLN 60 2HG GLN 60 2.761 11.261 12.738 460 HE21 GLN 60 1HE2 GLN 60 0.709 11.655 11.071 461 HE22 GLN 60 2HE2 GLN 60 -0.648 10.684 11.517 462 HA PRO 61 HA PRO 61 6.583 11.642 7.084 463 HB2 PRO 61 1HB PRO 61 6.686 9.157 5.997 464 HB3 PRO 61 2HB PRO 61 7.845 9.726 7.204 465 HG2 PRO 61 1HG PRO 61 5.426 8.000 7.567 466 HG3 PRO 61 2HG PRO 61 7.042 7.826 8.277 467 HD2 PRO 61 1HD PRO 61 4.956 8.883 9.642 468 HD3 PRO 61 2HD PRO 61 6.632 9.405 9.906 469 H GLN 62 H GLN 62 5.606 12.382 5.304 470 HA GLN 62 HA GLN 62 2.890 11.496 4.723 471 HB2 GLN 62 1HB GLN 62 4.472 13.768 3.511 472 HB3 GLN 62 2HB GLN 62 2.755 13.462 3.287 473 HG2 GLN 62 1HG GLN 62 4.184 14.419 5.736 474 HG3 GLN 62 2HG GLN 62 2.853 15.176 4.862 475 HE21 GLN 62 1HE2 GLN 62 3.325 14.184 7.710 476 HE22 GLN 62 2HE2 GLN 62 1.902 13.272 8.063 477 H ASP 63 H ASP 63 6.051 10.959 3.635 478 HA ASP 63 HA ASP 63 5.203 10.204 0.941 479 HB2 ASP 63 1HB ASP 63 7.419 10.306 0.302 480 HB3 ASP 63 2HB ASP 63 7.401 11.495 1.601 481 H GLN 64 H GLN 64 5.697 8.828 3.997 482 HA GLN 64 HA GLN 64 6.247 6.164 2.935 483 HB2 GLN 64 1HB GLN 64 6.097 7.246 5.749 484 HB3 GLN 64 2HB GLN 64 6.317 5.539 5.383 485 HG2 GLN 64 1HG GLN 64 8.178 7.515 4.169 486 HG3 GLN 64 2HG GLN 64 8.361 7.100 5.873 487 HE21 GLN 64 1HE2 GLN 64 8.061 5.646 2.664 488 HE22 GLN 64 2HE2 GLN 64 9.086 4.294 2.988 489 H ILE 65 H ILE 65 4.770 4.583 2.785 490 HA ILE 65 HA ILE 65 2.041 5.196 3.705 491 HB ILE 65 HB ILE 65 2.840 3.222 1.566 492 HG12 ILE 65 1HG1 ILE 65 1.803 6.051 1.284 493 HG13 ILE 65 2HG1 ILE 65 3.426 5.501 0.880 494 HG21 ILE 65 1HG2 ILE 65 0.337 3.681 0.989 495 HG22 ILE 65 2HG2 ILE 65 0.755 2.548 2.273 496 HG23 ILE 65 3HG2 ILE 65 0.243 4.186 2.676 497 HD11 ILE 65 1HD1 ILE 65 2.673 5.211 -1.183 498 HD12 ILE 65 2HD1 ILE 65 1.771 3.826 -0.567 499 HD13 ILE 65 3HD1 ILE 65 0.995 5.405 -0.676 500 H THR 66 H THR 66 1.075 3.914 5.151 501 HA THR 66 HA THR 66 2.569 1.607 6.151 502 HB THR 66 HB THR 66 0.048 2.538 7.452 503 HG1 THR 66 1HG THR 66 1.302 4.451 6.967 504 HG21 THR 66 1HG2 THR 66 1.648 2.136 9.467 505 HG22 THR 66 2HG2 THR 66 2.639 1.288 8.279 506 HG23 THR 66 3HG2 THR 66 0.988 0.753 8.595 507 H ILE 67 H ILE 67 1.982 -0.417 5.729 508 HA ILE 67 HA ILE 67 -0.799 -0.959 4.947 509 HB ILE 67 HB ILE 67 1.630 -2.099 3.559 510 HG12 ILE 67 1HG1 ILE 67 -0.500 -0.334 2.359 511 HG13 ILE 67 2HG1 ILE 67 0.967 0.327 3.072 512 HG21 ILE 67 1HG2 ILE 67 -1.230 -2.453 2.726 513 HG22 ILE 67 2HG2 ILE 67 0.189 -3.371 2.227 514 HG23 ILE 67 3HG2 ILE 67 -0.454 -3.560 3.858 515 HD11 ILE 67 1HD1 ILE 67 0.947 -0.010 0.563 516 HD12 ILE 67 2HD1 ILE 67 2.328 -0.665 1.443 517 HD13 ILE 67 3HD1 ILE 67 1.038 -1.738 0.900 518 H THR 68 H THR 68 -1.682 -2.623 5.994 519 HA THR 68 HA THR 68 0.106 -4.408 7.508 520 HB THR 68 HB THR 68 -2.810 -3.916 8.107 521 HG1 THR 68 1HG THR 68 -1.726 -2.616 9.887 522 HG21 THR 68 1HG2 THR 68 -0.539 -5.056 9.740 523 HG22 THR 68 2HG2 THR 68 -1.892 -5.958 9.057 524 HG23 THR 68 3HG2 THR 68 -2.175 -4.774 10.331 525 H GLY 69 H GLY 69 -0.419 -6.642 7.649 526 HA2 GLY 69 1HA GLY 69 -2.293 -8.246 6.860 527 HA3 GLY 69 2HA GLY 69 -1.876 -7.598 5.280 528 H TYR 70 H TYR 70 -1.562 -10.021 5.003 529 HA TYR 70 HA TYR 70 0.579 -11.384 6.184 530 HB2 TYR 70 1HB TYR 70 -0.929 -11.719 3.612 531 HB3 TYR 70 2HB TYR 70 0.481 -12.719 3.943 532 HD1 TYR 70 1HD TYR 70 -2.721 -11.649 5.542 533 HD2 TYR 70 2HD TYR 70 0.179 -14.724 5.060 534 HE1 TYR 70 1HE TYR 70 -4.125 -13.172 6.868 535 HE2 TYR 70 2HE TYR 70 -1.216 -16.256 6.384 536 HH TYR 70 HH TYR 70 -3.659 -16.483 6.966 537 H GLU 71 H GLU 71 2.700 -11.132 6.013 538 HA GLU 71 HA GLU 71 4.070 -9.161 4.812 539 HB2 GLU 71 1HB GLU 71 5.303 -10.580 6.219 540 HB3 GLU 71 2HB GLU 71 4.873 -12.015 5.300 541 HG2 GLU 71 1HG GLU 71 6.261 -11.201 3.435 542 HG3 GLU 71 2HG GLU 71 6.739 -9.823 4.425 543 H LYS 72 H LYS 72 2.760 -11.966 3.220 544 HA LYS 72 HA LYS 72 4.174 -11.483 0.745 545 HB2 LYS 72 1HB LYS 72 1.993 -13.417 1.524 546 HB3 LYS 72 2HB LYS 72 2.637 -13.310 -0.109 547 HG2 LYS 72 1HG LYS 72 4.388 -13.818 2.275 548 HG3 LYS 72 2HG LYS 72 3.589 -15.117 1.386 549 HD2 LYS 72 1HD LYS 72 4.871 -14.798 -0.497 550 HD3 LYS 72 2HD LYS 72 5.184 -13.101 -0.126 551 HE2 LYS 72 1HE LYS 72 6.591 -13.888 1.799 552 HE3 LYS 72 2HE LYS 72 6.409 -15.526 1.176 553 HZ1 LYS 72 1HZ LYS 72 7.936 -15.159 -0.379 554 HZ2 LYS 72 2HZ LYS 72 8.344 -13.749 0.460 555 HZ3 LYS 72 3HZ LYS 72 7.259 -13.677 -0.836 556 H ASN 73 H ASN 73 0.704 -11.612 1.578 557 HA ASN 73 HA ASN 73 -0.341 -10.523 -0.704 558 HB2 ASN 73 1HB ASN 73 -1.233 -10.237 2.164 559 HB3 ASN 73 2HB ASN 73 -2.179 -9.612 0.816 560 HD21 ASN 73 1HD2 ASN 73 -3.859 -11.030 1.439 561 HD22 ASN 73 2HD2 ASN 73 -3.801 -12.708 1.028 562 H THR 74 H THR 74 1.007 -8.799 2.073 563 HA THR 74 HA THR 74 0.331 -6.202 1.457 564 HB THR 74 HB THR 74 2.413 -5.510 2.625 565 HG1 THR 74 1HG THR 74 2.962 -8.271 2.971 566 HG21 THR 74 1HG2 THR 74 1.242 -5.840 4.491 567 HG22 THR 74 2HG2 THR 74 1.713 -7.539 4.504 568 HG23 THR 74 3HG2 THR 74 0.255 -7.034 3.650 569 H GLU 75 H GLU 75 3.442 -7.729 0.589 570 HA GLU 75 HA GLU 75 4.534 -5.816 -0.986 571 HB2 GLU 75 1HB GLU 75 4.511 -8.756 -1.689 572 HB3 GLU 75 2HB GLU 75 5.700 -7.568 -2.205 573 HG2 GLU 75 1HG GLU 75 5.968 -7.250 0.410 574 HG3 GLU 75 2HG GLU 75 5.366 -8.907 0.415 575 H ALA 76 H ALA 76 2.441 -8.404 -2.275 576 HA ALA 76 HA ALA 76 2.218 -7.590 -4.873 577 HB1 ALA 76 1HB ALA 76 -0.369 -8.409 -4.175 578 HB2 ALA 76 2HB ALA 76 0.928 -9.395 -4.854 579 HB3 ALA 76 3HB ALA 76 0.726 -9.286 -3.105 580 H ALA 77 H ALA 77 0.666 -6.201 -2.058 581 HA ALA 77 HA ALA 77 -1.075 -4.497 -3.604 582 HB1 ALA 77 1HB ALA 77 -1.547 -3.470 -1.343 583 HB2 ALA 77 2HB ALA 77 -1.935 -5.182 -1.512 584 HB3 ALA 77 3HB ALA 77 -0.469 -4.691 -0.664 585 H ARG 78 H ARG 78 1.884 -4.108 -1.687 586 HA ARG 78 HA ARG 78 2.084 -1.302 -2.064 587 HB2 ARG 78 1HB ARG 78 4.053 -1.428 -0.876 588 HB3 ARG 78 2HB ARG 78 3.258 -2.903 -0.341 589 HG2 ARG 78 1HG ARG 78 5.301 -3.755 -0.813 590 HG3 ARG 78 2HG ARG 78 4.571 -3.911 -2.412 591 HD2 ARG 78 1HD ARG 78 5.519 -1.469 -2.704 592 HD3 ARG 78 2HD ARG 78 6.621 -1.989 -1.430 593 HE ARG 78 HE ARG 78 6.393 -3.792 -3.681 594 HH11 ARG 78 1HH1 ARG 78 8.107 -1.126 -2.242 595 HH12 ARG 78 2HH1 ARG 78 9.552 -1.388 -3.163 596 HH21 ARG 78 1HH2 ARG 78 8.287 -4.147 -4.900 597 HH22 ARG 78 2HH2 ARG 78 9.653 -3.106 -4.676 598 H ASP 79 H ASP 79 2.836 -4.008 -4.039 599 HA ASP 79 HA ASP 79 4.833 -2.773 -5.657 600 HB2 ASP 79 1HB ASP 79 3.212 -5.266 -5.779 601 HB3 ASP 79 2HB ASP 79 3.916 -4.684 -7.286 602 H ALA 80 H ALA 80 1.416 -2.570 -5.508 603 HA ALA 80 HA ALA 80 1.016 -1.754 -8.237 604 HB1 ALA 80 1HB ALA 80 -0.676 -2.108 -5.841 605 HB2 ALA 80 2HB ALA 80 -1.237 -0.942 -7.041 606 HB3 ALA 80 3HB ALA 80 -0.944 -2.616 -7.508 607 H ILE 81 H ILE 81 0.969 -0.093 -5.086 608 HA ILE 81 HA ILE 81 0.410 2.468 -5.855 609 HB ILE 81 HB ILE 81 2.473 1.661 -3.803 610 HG12 ILE 81 1HG1 ILE 81 -0.387 2.419 -3.263 611 HG13 ILE 81 2HG1 ILE 81 0.055 0.758 -3.643 612 HG21 ILE 81 1HG2 ILE 81 2.427 4.081 -4.632 613 HG22 ILE 81 2HG2 ILE 81 0.871 4.196 -3.813 614 HG23 ILE 81 3HG2 ILE 81 2.325 3.811 -2.893 615 HD11 ILE 81 1HD1 ILE 81 1.842 1.529 -1.664 616 HD12 ILE 81 2HD1 ILE 81 0.290 2.202 -1.167 617 HD13 ILE 81 3HD1 ILE 81 0.441 0.474 -1.485 618 H LEU 82 H LEU 82 3.446 0.740 -6.216 619 HA LEU 82 HA LEU 82 4.913 3.052 -7.090 620 HB2 LEU 82 1HB LEU 82 5.633 0.145 -7.416 621 HB3 LEU 82 2HB LEU 82 6.723 1.527 -7.513 622 HG LEU 82 HG LEU 82 5.285 0.639 -5.014 623 HD11 LEU 82 1HD1 LEU 82 8.109 0.171 -5.950 624 HD12 LEU 82 2HD1 LEU 82 6.879 -1.043 -5.604 625 HD13 LEU 82 3HD1 LEU 82 7.558 -0.078 -4.293 626 HD21 LEU 82 1HD2 LEU 82 5.918 2.576 -4.141 627 HD22 LEU 82 2HD2 LEU 82 6.560 3.070 -5.708 628 HD23 LEU 82 3HD2 LEU 82 7.598 2.230 -4.553 629 H ARG 83 H ARG 83 3.933 0.037 -8.735 630 HA ARG 83 HA ARG 83 4.639 0.481 -11.281 631 HB2 ARG 83 1HB ARG 83 3.086 -1.351 -10.197 632 HB3 ARG 83 2HB ARG 83 1.800 -0.347 -10.850 633 HG2 ARG 83 1HG ARG 83 2.378 -0.787 -13.033 634 HG3 ARG 83 2HG ARG 83 4.048 -1.182 -12.620 635 HD2 ARG 83 1HD ARG 83 3.328 -3.262 -11.598 636 HD3 ARG 83 2HD ARG 83 1.641 -2.856 -11.913 637 HE ARG 83 HE ARG 83 3.549 -3.915 -13.784 638 HH11 ARG 83 1HH1 ARG 83 0.602 -2.099 -13.415 639 HH12 ARG 83 2HH1 ARG 83 0.025 -2.464 -15.008 640 HH21 ARG 83 1HH2 ARG 83 2.800 -4.403 -15.882 641 HH22 ARG 83 2HH2 ARG 83 1.274 -3.776 -16.409 642 H ILE 84 H ILE 84 2.207 2.255 -9.537 643 HA ILE 84 HA ILE 84 1.163 3.567 -11.890 644 HB ILE 84 HB ILE 84 0.706 4.365 -9.018 645 HG12 ILE 84 1HG1 ILE 84 -1.228 2.652 -10.513 646 HG13 ILE 84 2HG1 ILE 84 0.189 1.884 -9.806 647 HG21 ILE 84 1HG2 ILE 84 -1.254 4.663 -11.250 648 HG22 ILE 84 2HG2 ILE 84 -1.087 5.603 -9.767 649 HG23 ILE 84 3HG2 ILE 84 0.066 5.821 -11.083 650 HD11 ILE 84 1HD1 ILE 84 -1.004 3.610 -7.875 651 HD12 ILE 84 2HD1 ILE 84 -2.232 2.540 -8.553 652 HD13 ILE 84 3HD1 ILE 84 -0.777 1.862 -7.823 653 H VAL 85 H VAL 85 2.714 4.814 -8.924 654 HA VAL 85 HA VAL 85 3.218 7.364 -9.494 655 HB VAL 85 HB VAL 85 5.263 5.426 -8.405 656 HG11 VAL 85 1HG1 VAL 85 5.777 7.925 -7.335 657 HG12 VAL 85 2HG1 VAL 85 6.726 7.099 -8.572 658 HG13 VAL 85 3HG1 VAL 85 5.472 8.247 -9.041 659 HG21 VAL 85 1HG2 VAL 85 3.687 7.382 -6.787 660 HG22 VAL 85 2HG2 VAL 85 2.950 5.856 -7.277 661 HG23 VAL 85 3HG2 VAL 85 4.419 5.853 -6.299 662 H GLY 86 H GLY 86 4.863 4.645 -11.013 663 HA2 GLY 86 1HA GLY 86 6.879 6.075 -12.350 664 HA3 GLY 86 2HA GLY 86 6.229 4.521 -12.852 665 H GLU 87 H GLU 87 3.721 4.975 -13.592 666 HA GLU 87 HA GLU 87 3.984 6.242 -16.097 667 HB2 GLU 87 1HB GLU 87 1.751 5.633 -16.494 668 HB3 GLU 87 2HB GLU 87 2.357 4.387 -15.413 669 HG2 GLU 87 1HG GLU 87 1.212 5.302 -13.560 670 HG3 GLU 87 2HG GLU 87 0.834 6.784 -14.439 671 H LEU 88 H LEU 88 2.565 7.286 -13.040 672 HA LEU 88 HA LEU 88 1.322 9.627 -13.921 673 HB2 LEU 88 1HB LEU 88 2.667 9.315 -11.252 674 HB3 LEU 88 2HB LEU 88 1.270 10.311 -11.653 675 HG LEU 88 HG LEU 88 1.361 7.303 -11.451 676 HD11 LEU 88 1HD1 LEU 88 -0.507 8.997 -9.900 677 HD12 LEU 88 2HD1 LEU 88 1.190 9.013 -9.420 678 HD13 LEU 88 3HD1 LEU 88 0.299 7.492 -9.457 679 HD21 LEU 88 1HD2 LEU 88 -0.930 7.257 -12.077 680 HD22 LEU 88 2HD2 LEU 88 -0.077 8.175 -13.319 681 HD23 LEU 88 3HD2 LEU 88 -1.028 9.018 -12.095 682 H GLU 89 H GLU 89 4.587 9.182 -12.569 683 HA GLU 89 HA GLU 89 5.487 11.776 -12.629 684 HB2 GLU 89 1HB GLU 89 6.654 9.516 -11.939 685 HB3 GLU 89 2HB GLU 89 7.325 9.610 -13.562 686 HG2 GLU 89 1HG GLU 89 7.565 11.769 -11.481 687 HG3 GLU 89 2HG GLU 89 8.799 10.559 -11.827 688 H GLN 90 H GLN 90 5.448 9.439 -15.293 689 HA GLN 90 HA GLN 90 6.766 11.031 -17.191 690 HB2 GLN 90 1HB GLN 90 6.302 8.576 -17.390 691 HB3 GLN 90 2HB GLN 90 4.626 8.972 -17.745 692 HG2 GLN 90 1HG GLN 90 5.332 10.204 -19.729 693 HG3 GLN 90 2HG GLN 90 7.014 9.812 -19.373 694 HE21 GLN 90 1HE2 GLN 90 6.328 9.096 -21.755 695 HE22 GLN 90 2HE2 GLN 90 6.000 7.405 -21.888 696 H MET 91 H MET 91 3.276 10.532 -16.666 697 HA MET 91 HA MET 91 2.331 12.248 -18.629 698 HB2 MET 91 1HB MET 91 1.189 11.464 -15.954 699 HB3 MET 91 2HB MET 91 0.311 12.487 -17.083 700 HG2 MET 91 1HG MET 91 1.387 9.897 -18.061 701 HG3 MET 91 2HG MET 91 -0.035 9.883 -17.021 702 HE1 MET 91 1HE MET 91 -2.171 11.877 -17.769 703 HE2 MET 91 2HE MET 91 -2.874 10.981 -19.117 704 HE3 MET 91 3HE MET 91 -2.247 10.115 -17.713 705 H SER 92 H SER 92 2.115 14.403 -18.831 706 HA SER 92 HA SER 92 3.028 16.065 -16.575 707 HB2 SER 92 1HB SER 92 3.817 17.691 -18.218 708 HB3 SER 92 2HB SER 92 4.534 16.113 -18.541 709 HG SER 92 HG SER 92 2.761 15.848 -20.093 710 H GLY 93 H GLY 93 2.199 18.427 -16.864 711 HA2 GLY 93 1HA GLY 93 -0.228 18.969 -18.151 712 HA3 GLY 93 2HA GLY 93 -0.600 18.378 -16.538 713 HA PRO 94 HA PRO 94 -0.117 22.936 -16.174 714 HB2 PRO 94 1HB PRO 94 -2.127 23.219 -14.370 715 HB3 PRO 94 2HB PRO 94 -2.401 23.187 -16.115 716 HG2 PRO 94 1HG PRO 94 -2.722 20.991 -14.107 717 HG3 PRO 94 2HG PRO 94 -3.783 21.437 -15.457 718 HD2 PRO 94 1HD PRO 94 -2.045 19.366 -15.595 719 HD3 PRO 94 2HD PRO 94 -2.476 20.347 -17.010 720 H SER 95 H SER 95 0.552 20.290 -14.328 721 HA SER 95 HA SER 95 0.736 21.088 -11.707 722 HB2 SER 95 1HB SER 95 2.507 19.310 -13.372 723 HB3 SER 95 2HB SER 95 2.841 19.590 -11.663 724 HG SER 95 HG SER 95 0.462 18.515 -12.779 725 H SER 96 H SER 96 2.925 21.838 -14.368 726 HA SER 96 HA SER 96 4.914 23.104 -12.796 727 HB2 SER 96 1HB SER 96 5.404 22.303 -15.049 728 HB3 SER 96 2HB SER 96 4.240 23.440 -15.730 729 HG SER 96 HG SER 96 6.202 24.534 -14.110 730 H GLY 97 H GLY 97 4.375 24.756 -11.500 731 HA2 GLY 97 1HA GLY 97 2.297 26.599 -11.989 732 HA3 GLY 97 2HA GLY 97 3.584 26.797 -10.809 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.084 -40.299 0.725 2 HA2 GLY 1 1HA GLY 1 -4.943 -42.185 1.188 3 HA3 GLY 1 2HA GLY 1 -4.485 -40.509 1.449 4 H SER 2 H SER 2 -4.238 -42.097 3.559 5 HA SER 2 HA SER 2 -6.585 -41.468 5.227 6 HB2 SER 2 1HB SER 2 -4.865 -43.907 5.100 7 HB3 SER 2 2HB SER 2 -5.527 -43.431 6.664 8 HG SER 2 HG SER 2 -7.614 -43.377 5.551 9 H SER 3 H SER 3 -5.803 -39.480 5.913 10 HA SER 3 HA SER 3 -3.910 -39.595 8.076 11 HB2 SER 3 1HB SER 3 -3.254 -37.896 5.657 12 HB3 SER 3 2HB SER 3 -2.358 -37.923 7.175 13 HG SER 3 HG SER 3 -1.358 -39.638 6.505 14 H GLY 4 H GLY 4 -3.827 -37.604 9.305 15 HA2 GLY 4 1HA GLY 4 -5.646 -35.467 8.599 16 HA3 GLY 4 2HA GLY 4 -6.190 -36.463 9.941 17 H SER 5 H SER 5 -3.756 -34.202 8.841 18 HA SER 5 HA SER 5 -3.373 -33.235 11.516 19 HB2 SER 5 1HB SER 5 -1.843 -35.234 11.393 20 HB3 SER 5 2HB SER 5 -0.955 -34.398 10.120 21 HG SER 5 HG SER 5 -0.990 -33.952 12.842 22 H SER 6 H SER 6 -3.194 -31.107 11.356 23 HA SER 6 HA SER 6 -2.313 -29.952 8.808 24 HB2 SER 6 1HB SER 6 -3.438 -27.909 9.533 25 HB3 SER 6 2HB SER 6 -4.540 -29.280 9.659 26 HG SER 6 HG SER 6 -3.055 -28.134 11.791 27 H GLY 7 H GLY 7 -1.827 -29.618 12.312 28 HA2 GLY 7 1HA GLY 7 0.314 -29.309 13.294 29 HA3 GLY 7 2HA GLY 7 0.891 -28.660 11.766 30 H GLU 8 H GLU 8 1.798 -26.967 13.156 31 HA GLU 8 HA GLU 8 -0.169 -25.055 14.177 32 HB2 GLU 8 1HB GLU 8 2.789 -25.404 14.584 33 HB3 GLU 8 2HB GLU 8 1.987 -23.899 15.013 34 HG2 GLU 8 1HG GLU 8 2.084 -25.151 16.990 35 HG3 GLU 8 2HG GLU 8 0.418 -25.286 16.425 36 H GLN 9 H GLN 9 -0.006 -22.802 13.645 37 HA GLN 9 HA GLN 9 1.534 -22.115 11.269 38 HB2 GLN 9 1HB GLN 9 -1.470 -21.822 11.423 39 HB3 GLN 9 2HB GLN 9 -0.455 -21.155 10.150 40 HG2 GLN 9 1HG GLN 9 0.274 -23.483 9.623 41 HG3 GLN 9 2HG GLN 9 -0.935 -24.057 10.771 42 HE21 GLN 9 1HE2 GLN 9 -0.591 -24.286 7.785 43 HE22 GLN 9 2HE2 GLN 9 -2.120 -23.803 7.142 44 H GLU 10 H GLU 10 2.559 -20.296 11.737 45 HA GLU 10 HA GLU 10 1.612 -18.557 13.841 46 HB2 GLU 10 1HB GLU 10 4.055 -19.196 13.366 47 HB3 GLU 10 2HB GLU 10 3.974 -18.032 12.050 48 HG2 GLU 10 1HG GLU 10 4.824 -16.719 13.702 49 HG3 GLU 10 2HG GLU 10 3.100 -16.434 13.935 50 H ASP 11 H ASP 11 -0.334 -17.784 12.897 51 HA ASP 11 HA ASP 11 -0.085 -16.103 10.521 52 HB2 ASP 11 1HB ASP 11 -2.527 -15.994 10.569 53 HB3 ASP 11 2HB ASP 11 -1.982 -17.668 10.648 54 H ARG 12 H ARG 12 -1.288 -15.845 13.863 55 HA ARG 12 HA ARG 12 -2.037 -13.276 14.071 56 HB2 ARG 12 1HB ARG 12 -1.114 -13.259 16.381 57 HB3 ARG 12 2HB ARG 12 -2.020 -14.718 16.002 58 HG2 ARG 12 1HG ARG 12 0.160 -15.848 15.529 59 HG3 ARG 12 2HG ARG 12 0.966 -14.408 16.155 60 HD2 ARG 12 1HD ARG 12 -1.104 -15.884 17.751 61 HD3 ARG 12 2HD ARG 12 0.593 -16.365 17.764 62 HE ARG 12 HE ARG 12 -0.554 -14.201 19.175 63 HH11 ARG 12 1HH1 ARG 12 2.297 -15.096 17.389 64 HH12 ARG 12 2HH1 ARG 12 3.334 -14.000 18.242 65 HH21 ARG 12 1HH2 ARG 12 0.801 -12.755 20.305 66 HH22 ARG 12 2HH2 ARG 12 2.482 -12.671 19.901 67 H ALA 13 H ALA 13 1.281 -14.398 13.754 68 HA ALA 13 HA ALA 13 2.433 -11.793 14.135 69 HB1 ALA 13 1HB ALA 13 3.552 -14.030 14.609 70 HB2 ALA 13 2HB ALA 13 3.808 -14.143 12.867 71 HB3 ALA 13 3HB ALA 13 4.519 -12.811 13.779 72 H LEU 14 H LEU 14 2.018 -13.951 11.329 73 HA LEU 14 HA LEU 14 3.095 -12.330 9.370 74 HB2 LEU 14 1HB LEU 14 0.823 -14.295 9.276 75 HB3 LEU 14 2HB LEU 14 1.433 -13.488 7.833 76 HG LEU 14 HG LEU 14 3.194 -15.156 9.613 77 HD11 LEU 14 1HD1 LEU 14 2.679 -16.616 7.316 78 HD12 LEU 14 2HD1 LEU 14 1.097 -16.024 7.819 79 HD13 LEU 14 3HD1 LEU 14 2.085 -16.960 8.940 80 HD21 LEU 14 1HD2 LEU 14 3.710 -14.954 6.742 81 HD22 LEU 14 2HD2 LEU 14 4.809 -14.775 8.110 82 HD23 LEU 14 3HD2 LEU 14 3.807 -13.416 7.598 83 H ARG 15 H ARG 15 -0.283 -12.442 10.483 84 HA ARG 15 HA ARG 15 -1.272 -10.450 8.780 85 HB2 ARG 15 1HB ARG 15 -3.168 -10.321 10.279 86 HB3 ARG 15 2HB ARG 15 -2.687 -12.002 10.092 87 HG2 ARG 15 1HG ARG 15 -1.653 -12.021 12.243 88 HG3 ARG 15 2HG ARG 15 -1.870 -10.278 12.417 89 HD2 ARG 15 1HD ARG 15 -4.262 -11.994 11.957 90 HD3 ARG 15 2HD ARG 15 -3.523 -11.977 13.558 91 HE ARG 15 HE ARG 15 -3.825 -9.338 12.886 92 HH11 ARG 15 1HH1 ARG 15 -5.935 -12.089 13.195 93 HH12 ARG 15 2HH1 ARG 15 -7.314 -11.145 13.655 94 HH21 ARG 15 1HH2 ARG 15 -5.631 -8.085 13.491 95 HH22 ARG 15 2HH2 ARG 15 -7.139 -8.867 13.822 96 H SER 16 H SER 16 0.500 -10.262 11.774 97 HA SER 16 HA SER 16 -0.027 -7.431 12.113 98 HB2 SER 16 1HB SER 16 0.224 -8.993 14.060 99 HB3 SER 16 2HB SER 16 1.925 -9.176 13.632 100 HG SER 16 HG SER 16 1.695 -7.570 15.199 101 H PHE 17 H PHE 17 1.215 -8.170 9.652 102 HA PHE 17 HA PHE 17 3.985 -7.280 9.939 103 HB2 PHE 17 1HB PHE 17 3.957 -9.094 8.490 104 HB3 PHE 17 2HB PHE 17 2.425 -8.621 7.764 105 HD1 PHE 17 2HD PHE 17 2.377 -6.691 6.172 106 HD2 PHE 17 1HD PHE 17 6.008 -8.423 7.564 107 HE1 PHE 17 2HE PHE 17 3.586 -5.655 4.297 108 HE2 PHE 17 1HE PHE 17 7.223 -7.388 5.691 109 HZ PHE 17 HZ PHE 17 6.012 -6.003 4.053 110 H LYS 18 H LYS 18 4.486 -5.213 9.712 111 HA LYS 18 HA LYS 18 2.633 -3.463 8.241 112 HB2 LYS 18 1HB LYS 18 3.207 -3.077 10.737 113 HB3 LYS 18 2HB LYS 18 4.756 -2.497 10.138 114 HG2 LYS 18 1HG LYS 18 3.310 -0.967 8.623 115 HG3 LYS 18 2HG LYS 18 2.033 -1.323 9.788 116 HD2 LYS 18 1HD LYS 18 2.924 0.543 10.760 117 HD3 LYS 18 2HD LYS 18 3.933 -0.690 11.519 118 HE2 LYS 18 1HE LYS 18 4.766 0.580 8.939 119 HE3 LYS 18 2HE LYS 18 5.048 1.406 10.471 120 HZ1 LYS 18 1HZ LYS 18 6.131 -1.200 9.580 121 HZ2 LYS 18 2HZ LYS 18 6.161 -0.722 11.201 122 HZ3 LYS 18 3HZ LYS 18 6.985 0.186 10.036 123 H LEU 19 H LEU 19 3.272 -2.698 6.343 124 HA LEU 19 HA LEU 19 6.151 -2.713 5.723 125 HB2 LEU 19 1HB LEU 19 5.033 -4.198 4.266 126 HB3 LEU 19 2HB LEU 19 3.723 -3.053 3.986 127 HG LEU 19 HG LEU 19 5.549 -1.591 2.881 128 HD11 LEU 19 1HD1 LEU 19 7.055 -3.931 3.581 129 HD12 LEU 19 2HD1 LEU 19 7.608 -2.412 2.878 130 HD13 LEU 19 3HD1 LEU 19 7.044 -3.714 1.831 131 HD21 LEU 19 1HD2 LEU 19 4.630 -2.235 0.948 132 HD22 LEU 19 2HD2 LEU 19 3.689 -3.361 1.925 133 HD23 LEU 19 3HD2 LEU 19 5.172 -3.903 1.139 134 H SER 20 H SER 20 7.017 -0.973 4.492 135 HA SER 20 HA SER 20 5.404 1.491 4.581 136 HB2 SER 20 1HB SER 20 7.119 2.707 5.529 137 HB3 SER 20 2HB SER 20 7.411 1.138 6.279 138 HG SER 20 HG SER 20 9.055 0.764 4.849 139 H VAL 21 H VAL 21 5.043 2.228 2.607 140 HA VAL 21 HA VAL 21 6.936 1.582 0.462 141 HB VAL 21 HB VAL 21 4.235 2.829 0.045 142 HG11 VAL 21 1HG1 VAL 21 5.620 0.868 -1.741 143 HG12 VAL 21 2HG1 VAL 21 4.429 2.105 -2.149 144 HG13 VAL 21 3HG1 VAL 21 6.084 2.569 -1.750 145 HG21 VAL 21 1HG2 VAL 21 3.310 0.568 -0.228 146 HG22 VAL 21 2HG2 VAL 21 4.835 -0.114 0.336 147 HG23 VAL 21 3HG2 VAL 21 3.852 0.866 1.424 148 H THR 22 H THR 22 8.334 3.077 -0.159 149 HA THR 22 HA THR 22 8.069 5.815 0.702 150 HB THR 22 HB THR 22 10.168 4.684 -1.151 151 HG1 THR 22 1HG THR 22 10.108 4.785 1.698 152 HG21 THR 22 1HG2 THR 22 11.393 6.586 -0.751 153 HG22 THR 22 2HG2 THR 22 10.625 6.883 0.809 154 HG23 THR 22 3HG2 THR 22 9.759 7.247 -0.684 155 H VAL 23 H VAL 23 6.768 7.162 -0.355 156 HA VAL 23 HA VAL 23 7.117 7.587 -3.181 157 HB VAL 23 HB VAL 23 4.471 6.575 -2.136 158 HG11 VAL 23 1HG1 VAL 23 5.160 7.843 -4.782 159 HG12 VAL 23 2HG1 VAL 23 3.677 6.939 -4.473 160 HG13 VAL 23 3HG1 VAL 23 4.008 8.426 -3.583 161 HG21 VAL 23 1HG2 VAL 23 4.812 4.963 -4.083 162 HG22 VAL 23 2HG2 VAL 23 6.488 5.513 -4.096 163 HG23 VAL 23 3HG2 VAL 23 5.828 4.729 -2.661 164 H ASP 24 H ASP 24 7.075 9.709 -3.470 165 HA ASP 24 HA ASP 24 6.695 11.661 -1.669 166 HB2 ASP 24 1HB ASP 24 5.978 11.708 -4.602 167 HB3 ASP 24 2HB ASP 24 5.978 13.153 -3.594 168 HA PRO 25 HA PRO 25 2.481 11.752 -0.416 169 HB2 PRO 25 1HB PRO 25 2.312 14.337 0.394 170 HB3 PRO 25 2HB PRO 25 3.176 13.098 1.312 171 HG2 PRO 25 1HG PRO 25 4.257 15.167 -0.563 172 HG3 PRO 25 2HG PRO 25 4.885 14.647 1.011 173 HD2 PRO 25 1HD PRO 25 5.925 13.775 -1.332 174 HD3 PRO 25 2HD PRO 25 5.892 12.770 0.131 175 H LYS 26 H LYS 26 3.631 13.287 -3.135 176 HA LYS 26 HA LYS 26 1.354 14.904 -3.778 177 HB2 LYS 26 1HB LYS 26 2.395 15.132 -5.978 178 HB3 LYS 26 2HB LYS 26 3.571 15.401 -4.699 179 HG2 LYS 26 1HG LYS 26 4.175 12.923 -5.020 180 HG3 LYS 26 2HG LYS 26 3.306 13.064 -6.550 181 HD2 LYS 26 1HD LYS 26 5.495 14.969 -5.760 182 HD3 LYS 26 2HD LYS 26 5.821 13.458 -6.609 183 HE2 LYS 26 1HE LYS 26 5.619 14.876 -8.391 184 HE3 LYS 26 2HE LYS 26 3.942 14.358 -8.223 185 HZ1 LYS 26 1HZ LYS 26 5.103 16.864 -7.129 186 HZ2 LYS 26 2HZ LYS 26 3.498 16.366 -6.944 187 HZ3 LYS 26 3HZ LYS 26 4.092 16.748 -8.481 188 H TYR 27 H TYR 27 2.517 11.703 -4.768 189 HA TYR 27 HA TYR 27 0.209 11.234 -6.433 190 HB2 TYR 27 1HB TYR 27 2.332 9.276 -5.535 191 HB3 TYR 27 2HB TYR 27 1.193 9.056 -6.859 192 HD1 TYR 27 2HD TYR 27 1.309 11.573 -8.294 193 HD2 TYR 27 1HD TYR 27 4.454 9.374 -6.457 194 HE1 TYR 27 2HE TYR 27 2.921 12.584 -9.853 195 HE2 TYR 27 1HE TYR 27 6.074 10.381 -8.009 196 HH TYR 27 HH TYR 27 5.526 13.058 -9.755 197 H HIS 28 H HIS 28 1.006 10.849 -3.140 198 HA HIS 28 HA HIS 28 -0.318 8.618 -2.286 199 HB2 HIS 28 1HB HIS 28 0.222 11.280 -1.102 200 HB3 HIS 28 2HB HIS 28 -1.025 10.319 -0.312 201 HD2 HIS 28 2HD HIS 28 1.999 8.355 -1.720 202 HE1 HIS 28 1HE HIS 28 2.455 8.622 2.490 203 HE2 HIS 28 2HE HIS 28 3.366 7.640 0.356 204 HA PRO 29 HA PRO 29 -4.526 10.977 -2.122 205 HB2 PRO 29 1HB PRO 29 -4.635 13.427 -3.286 206 HB3 PRO 29 2HB PRO 29 -4.199 13.188 -1.590 207 HG2 PRO 29 1HG PRO 29 -2.423 13.631 -3.958 208 HG3 PRO 29 2HG PRO 29 -2.318 14.336 -2.334 209 HD2 PRO 29 1HD PRO 29 -0.766 12.263 -3.126 210 HD3 PRO 29 2HD PRO 29 -1.313 12.460 -1.449 211 H LYS 30 H LYS 30 -2.458 10.709 -4.791 212 HA LYS 30 HA LYS 30 -4.546 10.979 -6.793 213 HB2 LYS 30 1HB LYS 30 -1.605 10.333 -6.939 214 HB3 LYS 30 2HB LYS 30 -2.656 10.247 -8.346 215 HG2 LYS 30 1HG LYS 30 -2.598 12.749 -6.729 216 HG3 LYS 30 2HG LYS 30 -1.271 12.402 -7.839 217 HD2 LYS 30 1HD LYS 30 -2.726 13.622 -9.167 218 HD3 LYS 30 2HD LYS 30 -3.161 11.958 -9.561 219 HE2 LYS 30 1HE LYS 30 -5.145 12.060 -8.385 220 HE3 LYS 30 2HE LYS 30 -4.581 13.367 -7.345 221 HZ1 LYS 30 1HZ LYS 30 -6.074 14.397 -8.761 222 HZ2 LYS 30 2HZ LYS 30 -5.578 13.515 -10.116 223 HZ3 LYS 30 3HZ LYS 30 -4.587 14.736 -9.492 224 H ILE 31 H ILE 31 -2.800 8.471 -5.096 225 HA ILE 31 HA ILE 31 -3.682 6.331 -6.783 226 HB ILE 31 HB ILE 31 -2.659 6.131 -3.950 227 HG12 ILE 31 1HG1 ILE 31 -0.918 5.709 -6.343 228 HG13 ILE 31 2HG1 ILE 31 -1.237 7.357 -5.813 229 HG21 ILE 31 1HG2 ILE 31 -3.259 4.198 -6.106 230 HG22 ILE 31 2HG2 ILE 31 -1.801 3.909 -5.157 231 HG23 ILE 31 3HG2 ILE 31 -3.368 4.017 -4.355 232 HD11 ILE 31 1HD1 ILE 31 0.832 5.971 -4.940 233 HD12 ILE 31 2HD1 ILE 31 -0.019 7.127 -3.915 234 HD13 ILE 31 3HD1 ILE 31 -0.360 5.402 -3.770 235 H ILE 32 H ILE 32 -4.695 7.642 -3.652 236 HA ILE 32 HA ILE 32 -6.540 5.815 -2.821 237 HB ILE 32 HB ILE 32 -6.832 8.820 -2.738 238 HG12 ILE 32 1HG1 ILE 32 -5.963 7.025 -0.486 239 HG13 ILE 32 2HG1 ILE 32 -4.800 7.624 -1.663 240 HG21 ILE 32 1HG2 ILE 32 -8.192 6.813 -0.957 241 HG22 ILE 32 2HG2 ILE 32 -8.474 8.551 -1.051 242 HG23 ILE 32 3HG2 ILE 32 -8.952 7.507 -2.390 243 HD11 ILE 32 1HD1 ILE 32 -6.144 9.896 -0.920 244 HD12 ILE 32 2HD1 ILE 32 -6.050 8.974 0.580 245 HD13 ILE 32 3HD1 ILE 32 -4.578 9.367 -0.306 246 H GLY 33 H GLY 33 -7.082 8.409 -5.193 247 HA2 GLY 33 1HA GLY 33 -8.431 7.981 -7.147 248 HA3 GLY 33 2HA GLY 33 -9.395 6.873 -6.182 249 H ARG 34 H ARG 34 -10.478 8.933 -7.766 250 HA ARG 34 HA ARG 34 -11.044 11.359 -6.774 251 HB2 ARG 34 1HB ARG 34 -12.089 10.246 -8.792 252 HB3 ARG 34 2HB ARG 34 -13.246 9.512 -7.691 253 HG2 ARG 34 1HG ARG 34 -13.977 11.751 -6.991 254 HG3 ARG 34 2HG ARG 34 -12.846 12.461 -8.145 255 HD2 ARG 34 1HD ARG 34 -14.793 12.472 -9.366 256 HD3 ARG 34 2HD ARG 34 -14.087 10.934 -9.860 257 HE ARG 34 HE ARG 34 -15.801 10.616 -7.614 258 HH11 ARG 34 1HH1 ARG 34 -15.797 11.060 -11.067 259 HH12 ARG 34 2HH1 ARG 34 -17.325 10.277 -11.300 260 HH21 ARG 34 1HH2 ARG 34 -17.813 9.581 -7.908 261 HH22 ARG 34 2HH2 ARG 34 -18.471 9.436 -9.503 262 H LYS 35 H LYS 35 -13.053 8.548 -5.879 263 HA LYS 35 HA LYS 35 -13.806 9.952 -3.417 264 HB2 LYS 35 1HB LYS 35 -15.561 9.026 -4.996 265 HB3 LYS 35 2HB LYS 35 -15.023 7.421 -4.522 266 HG2 LYS 35 1HG LYS 35 -15.468 8.268 -2.109 267 HG3 LYS 35 2HG LYS 35 -16.461 9.484 -2.916 268 HD2 LYS 35 1HD LYS 35 -16.762 6.542 -3.460 269 HD3 LYS 35 2HD LYS 35 -17.633 7.355 -2.159 270 HE2 LYS 35 1HE LYS 35 -18.302 9.022 -4.064 271 HE3 LYS 35 2HE LYS 35 -17.901 7.666 -5.117 272 HZ1 LYS 35 1HZ LYS 35 -19.958 6.963 -4.727 273 HZ2 LYS 35 2HZ LYS 35 -20.195 8.057 -3.460 274 HZ3 LYS 35 3HZ LYS 35 -19.454 6.566 -3.161 275 H GLY 36 H GLY 36 -12.244 7.050 -4.607 276 HA2 GLY 36 1HA GLY 36 -10.425 6.305 -3.029 277 HA3 GLY 36 2HA GLY 36 -11.694 6.261 -1.814 278 H ALA 37 H ALA 37 -12.104 5.238 -5.149 279 HA ALA 37 HA ALA 37 -12.861 2.589 -4.205 280 HB1 ALA 37 1HB ALA 37 -14.090 4.105 -5.971 281 HB2 ALA 37 2HB ALA 37 -12.961 3.333 -7.084 282 HB3 ALA 37 3HB ALA 37 -14.071 2.349 -6.131 283 H VAL 38 H VAL 38 -10.618 4.038 -6.553 284 HA VAL 38 HA VAL 38 -9.428 1.852 -7.644 285 HB VAL 38 HB VAL 38 -7.977 4.319 -6.674 286 HG11 VAL 38 1HG1 VAL 38 -6.296 2.778 -7.172 287 HG12 VAL 38 2HG1 VAL 38 -7.193 2.095 -8.529 288 HG13 VAL 38 3HG1 VAL 38 -6.475 3.700 -8.663 289 HG21 VAL 38 1HG2 VAL 38 -9.153 3.734 -9.388 290 HG22 VAL 38 2HG2 VAL 38 -9.911 4.756 -8.167 291 HG23 VAL 38 3HG2 VAL 38 -8.364 5.225 -8.872 292 H ILE 39 H ILE 39 -8.345 3.406 -4.620 293 HA ILE 39 HA ILE 39 -6.394 1.506 -3.968 294 HB ILE 39 HB ILE 39 -6.523 3.704 -2.885 295 HG12 ILE 39 1HG1 ILE 39 -6.441 2.708 -0.419 296 HG13 ILE 39 2HG1 ILE 39 -6.466 1.180 -1.293 297 HG21 ILE 39 1HG2 ILE 39 -9.115 3.445 -2.676 298 HG22 ILE 39 2HG2 ILE 39 -8.718 2.740 -1.110 299 HG23 ILE 39 3HG2 ILE 39 -8.217 4.389 -1.488 300 HD11 ILE 39 1HD1 ILE 39 -4.452 1.731 -2.443 301 HD12 ILE 39 2HD1 ILE 39 -4.475 3.373 -1.800 302 HD13 ILE 39 3HD1 ILE 39 -4.198 2.007 -0.720 303 H THR 40 H THR 40 -9.833 1.663 -3.182 304 HA THR 40 HA THR 40 -9.966 -0.423 -1.340 305 HB THR 40 HB THR 40 -12.077 0.317 -3.375 306 HG1 THR 40 1HG THR 40 -11.349 2.083 -2.033 307 HG21 THR 40 1HG2 THR 40 -13.658 -0.683 -1.898 308 HG22 THR 40 2HG2 THR 40 -12.436 -0.917 -0.648 309 HG23 THR 40 3HG2 THR 40 -12.366 -1.858 -2.137 310 H GLN 41 H GLN 41 -10.608 -0.567 -4.849 311 HA GLN 41 HA GLN 41 -11.071 -3.250 -5.133 312 HB2 GLN 41 1HB GLN 41 -11.275 -1.679 -6.983 313 HB3 GLN 41 2HB GLN 41 -9.531 -1.444 -7.005 314 HG2 GLN 41 1HG GLN 41 -10.608 -4.193 -7.358 315 HG3 GLN 41 2HG GLN 41 -10.712 -3.055 -8.700 316 HE21 GLN 41 1HE2 GLN 41 -8.942 -5.485 -7.576 317 HE22 GLN 41 2HE2 GLN 41 -7.377 -5.047 -8.162 318 H ILE 42 H ILE 42 -7.914 -1.625 -5.098 319 HA ILE 42 HA ILE 42 -6.379 -3.966 -5.504 320 HB ILE 42 HB ILE 42 -5.572 -1.376 -4.176 321 HG12 ILE 42 1HG1 ILE 42 -4.946 -2.215 -6.996 322 HG13 ILE 42 2HG1 ILE 42 -6.449 -1.384 -6.610 323 HG21 ILE 42 1HG2 ILE 42 -4.089 -3.840 -4.890 324 HG22 ILE 42 2HG2 ILE 42 -3.292 -2.297 -5.197 325 HG23 ILE 42 3HG2 ILE 42 -3.830 -2.702 -3.567 326 HD11 ILE 42 1HD1 ILE 42 -4.463 0.005 -7.419 327 HD12 ILE 42 2HD1 ILE 42 -5.348 0.570 -6.002 328 HD13 ILE 42 3HD1 ILE 42 -3.800 -0.251 -5.805 329 H ARG 43 H ARG 43 -7.261 -2.181 -2.561 330 HA ARG 43 HA ARG 43 -5.870 -3.723 -0.712 331 HB2 ARG 43 1HB ARG 43 -8.447 -2.176 -0.485 332 HB3 ARG 43 2HB ARG 43 -7.710 -2.980 0.894 333 HG2 ARG 43 1HG ARG 43 -5.689 -1.634 0.597 334 HG3 ARG 43 2HG ARG 43 -6.441 -0.821 -0.777 335 HD2 ARG 43 1HD ARG 43 -7.605 -0.837 2.001 336 HD3 ARG 43 2HD ARG 43 -6.544 0.433 1.394 337 HE ARG 43 HE ARG 43 -8.461 0.391 -0.470 338 HH11 ARG 43 1HH1 ARG 43 -8.623 0.437 3.008 339 HH12 ARG 43 2HH1 ARG 43 -10.125 1.299 3.057 340 HH21 ARG 43 1HH2 ARG 43 -10.439 1.525 -0.419 341 HH22 ARG 43 2HH2 ARG 43 -11.158 1.916 1.107 342 H LEU 44 H LEU 44 -9.195 -4.123 -1.906 343 HA LEU 44 HA LEU 44 -9.774 -6.421 -0.368 344 HB2 LEU 44 1HB LEU 44 -10.960 -5.199 -2.830 345 HB3 LEU 44 2HB LEU 44 -11.526 -6.762 -2.245 346 HG LEU 44 HG LEU 44 -11.574 -4.217 -0.627 347 HD11 LEU 44 1HD1 LEU 44 -13.122 -4.678 -2.799 348 HD12 LEU 44 2HD1 LEU 44 -13.621 -3.726 -1.402 349 HD13 LEU 44 3HD1 LEU 44 -14.094 -5.421 -1.529 350 HD21 LEU 44 1HD2 LEU 44 -11.927 -5.601 1.075 351 HD22 LEU 44 2HD2 LEU 44 -11.984 -7.001 0.004 352 HD23 LEU 44 3HD2 LEU 44 -13.446 -6.060 0.305 353 H GLU 45 H GLU 45 -8.490 -5.978 -3.631 354 HA GLU 45 HA GLU 45 -8.582 -8.577 -4.564 355 HB2 GLU 45 1HB GLU 45 -7.880 -6.666 -5.935 356 HB3 GLU 45 2HB GLU 45 -6.392 -6.540 -5.008 357 HG2 GLU 45 1HG GLU 45 -5.947 -7.630 -7.097 358 HG3 GLU 45 2HG GLU 45 -5.746 -8.784 -5.780 359 H HIS 46 H HIS 46 -5.871 -7.036 -2.833 360 HA HIS 46 HA HIS 46 -4.612 -9.621 -2.428 361 HB2 HIS 46 1HB HIS 46 -3.690 -6.974 -1.313 362 HB3 HIS 46 2HB HIS 46 -2.730 -8.420 -1.607 363 HD1 HIS 46 1HD HIS 46 -2.449 -9.046 -4.242 364 HD2 HIS 46 2HD HIS 46 -3.646 -5.170 -3.344 365 HE1 HIS 46 1HE HIS 46 -1.994 -7.705 -6.319 366 H ASP 47 H ASP 47 -6.911 -7.756 -0.861 367 HA ASP 47 HA ASP 47 -7.939 -7.910 1.163 368 HB2 ASP 47 1HB ASP 47 -6.327 -10.392 1.721 369 HB3 ASP 47 2HB ASP 47 -7.947 -9.987 2.284 370 H VAL 48 H VAL 48 -5.929 -6.149 1.137 371 HA VAL 48 HA VAL 48 -4.650 -6.529 3.764 372 HB VAL 48 HB VAL 48 -2.691 -5.325 3.021 373 HG11 VAL 48 1HG1 VAL 48 -1.901 -6.926 1.211 374 HG12 VAL 48 2HG1 VAL 48 -2.477 -7.650 2.714 375 HG13 VAL 48 3HG1 VAL 48 -3.513 -7.637 1.287 376 HG21 VAL 48 1HG2 VAL 48 -4.414 -4.604 0.811 377 HG22 VAL 48 2HG2 VAL 48 -2.928 -3.841 1.374 378 HG23 VAL 48 3HG2 VAL 48 -2.852 -5.201 0.254 379 H ASN 49 H ASN 49 -3.807 -4.293 4.572 380 HA ASN 49 HA ASN 49 -5.957 -2.323 4.140 381 HB2 ASN 49 1HB ASN 49 -5.809 -3.498 6.416 382 HB3 ASN 49 2HB ASN 49 -4.340 -2.561 6.673 383 HD21 ASN 49 1HD2 ASN 49 -7.209 -2.603 7.778 384 HD22 ASN 49 2HD2 ASN 49 -7.644 -0.930 7.802 385 H ILE 50 H ILE 50 -5.280 -0.577 3.103 386 HA ILE 50 HA ILE 50 -2.469 0.244 3.391 387 HB ILE 50 HB ILE 50 -4.434 0.896 1.192 388 HG12 ILE 50 1HG1 ILE 50 -1.921 -0.783 1.092 389 HG13 ILE 50 2HG1 ILE 50 -3.541 -1.451 1.252 390 HG21 ILE 50 1HG2 ILE 50 -3.137 2.676 0.844 391 HG22 ILE 50 2HG2 ILE 50 -1.913 2.105 1.979 392 HG23 ILE 50 3HG2 ILE 50 -1.902 1.536 0.309 393 HD11 ILE 50 1HD1 ILE 50 -2.699 0.293 -1.043 394 HD12 ILE 50 2HD1 ILE 50 -2.588 -1.468 -1.059 395 HD13 ILE 50 3HD1 ILE 50 -4.160 -0.683 -0.901 396 H GLN 51 H GLN 51 -2.185 1.852 4.780 397 HA GLN 51 HA GLN 51 -4.215 3.985 4.890 398 HB2 GLN 51 1HB GLN 51 -3.983 2.514 6.951 399 HB3 GLN 51 2HB GLN 51 -2.385 3.217 7.160 400 HG2 GLN 51 1HG GLN 51 -3.636 5.479 7.061 401 HG3 GLN 51 2HG GLN 51 -5.064 4.508 7.416 402 HE21 GLN 51 1HE2 GLN 51 -3.227 6.518 8.895 403 HE22 GLN 51 2HE2 GLN 51 -3.014 5.776 10.440 404 H PHE 52 H PHE 52 -3.536 5.905 4.229 405 HA PHE 52 HA PHE 52 -0.690 6.359 3.830 406 HB2 PHE 52 1HB PHE 52 -3.078 8.057 3.070 407 HB3 PHE 52 2HB PHE 52 -1.410 8.375 2.603 408 HD1 PHE 52 2HD PHE 52 -4.278 6.123 2.144 409 HD2 PHE 52 1HD PHE 52 -0.372 7.181 0.826 410 HE1 PHE 52 2HE PHE 52 -4.576 4.719 0.144 411 HE2 PHE 52 1HE PHE 52 -0.664 5.780 -1.175 412 HZ PHE 52 HZ PHE 52 -2.767 4.546 -1.518 413 HA PRO 53 HA PRO 53 -0.049 8.924 7.335 414 HB2 PRO 53 1HB PRO 53 1.790 10.671 6.368 415 HB3 PRO 53 2HB PRO 53 2.167 8.983 6.731 416 HG2 PRO 53 1HG PRO 53 1.552 10.260 4.095 417 HG3 PRO 53 2HG PRO 53 2.800 9.067 4.495 418 HD2 PRO 53 1HD PRO 53 0.465 8.388 3.303 419 HD3 PRO 53 2HD PRO 53 1.316 7.304 4.422 420 H ASP 54 H ASP 54 -0.425 11.010 8.210 421 HA ASP 54 HA ASP 54 -2.105 12.716 6.497 422 HB2 ASP 54 1HB ASP 54 -2.949 11.545 8.713 423 HB3 ASP 54 2HB ASP 54 -2.162 12.924 9.477 424 H LYS 55 H LYS 55 -1.578 14.798 6.178 425 HA LYS 55 HA LYS 55 1.012 15.717 6.891 426 HB2 LYS 55 1HB LYS 55 0.428 17.747 5.728 427 HB3 LYS 55 2HB LYS 55 -0.182 16.375 4.813 428 HG2 LYS 55 1HG LYS 55 -1.989 17.756 4.717 429 HG3 LYS 55 2HG LYS 55 -2.373 16.857 6.187 430 HD2 LYS 55 1HD LYS 55 -1.850 18.633 7.566 431 HD3 LYS 55 2HD LYS 55 -0.779 19.377 6.376 432 HE2 LYS 55 1HE LYS 55 -2.668 20.760 6.415 433 HE3 LYS 55 2HE LYS 55 -2.884 19.758 4.982 434 HZ1 LYS 55 1HZ LYS 55 -4.113 18.296 6.863 435 HZ2 LYS 55 2HZ LYS 55 -4.901 19.396 5.849 436 HZ3 LYS 55 3HZ LYS 55 -4.446 19.862 7.411 437 H ASP 56 H ASP 56 -2.172 16.143 8.250 438 HA ASP 56 HA ASP 56 -1.803 18.414 9.803 439 HB2 ASP 56 1HB ASP 56 -3.468 15.938 10.206 440 HB3 ASP 56 2HB ASP 56 -3.473 17.247 11.385 441 H ASP 57 H ASP 57 -0.926 15.059 10.485 442 HA ASP 57 HA ASP 57 -0.095 15.439 13.147 443 HB2 ASP 57 1HB ASP 57 -0.480 13.250 11.740 444 HB3 ASP 57 2HB ASP 57 1.238 13.417 11.385 445 H GLY 58 H GLY 58 2.024 14.904 10.320 446 HA2 GLY 58 1HA GLY 58 3.847 16.306 9.719 447 HA3 GLY 58 2HA GLY 58 3.815 16.993 11.336 448 H ASN 59 H ASN 59 4.377 15.407 13.121 449 HA ASN 59 HA ASN 59 6.939 14.598 13.039 450 HB2 ASN 59 1HB ASN 59 4.652 13.265 14.499 451 HB3 ASN 59 2HB ASN 59 6.345 12.881 14.796 452 HD21 ASN 59 1HD2 ASN 59 7.706 14.505 15.663 453 HD22 ASN 59 2HD2 ASN 59 7.045 15.819 16.570 454 H GLN 60 H GLN 60 4.173 12.662 11.980 455 HA GLN 60 HA GLN 60 5.812 10.408 11.261 456 HB2 GLN 60 1HB GLN 60 3.824 9.324 10.658 457 HB3 GLN 60 2HB GLN 60 3.357 10.356 12.004 458 HG2 GLN 60 1HG GLN 60 2.409 11.975 10.488 459 HG3 GLN 60 2HG GLN 60 2.968 11.043 9.099 460 HE21 GLN 60 1HE2 GLN 60 0.265 11.866 10.316 461 HE22 GLN 60 2HE2 GLN 60 -0.654 10.404 10.257 462 HA PRO 61 HA PRO 61 6.907 11.548 7.166 463 HB2 PRO 61 1HB PRO 61 6.963 9.116 5.961 464 HB3 PRO 61 2HB PRO 61 8.193 9.644 7.116 465 HG2 PRO 61 1HG PRO 61 5.820 7.873 7.554 466 HG3 PRO 61 2HG PRO 61 7.480 7.688 8.151 467 HD2 PRO 61 1HD PRO 61 5.476 8.657 9.694 468 HD3 PRO 61 2HD PRO 61 7.161 9.186 9.873 469 H GLN 62 H GLN 62 5.829 12.330 5.460 470 HA GLN 62 HA GLN 62 3.077 11.470 5.035 471 HB2 GLN 62 1HB GLN 62 4.646 13.799 3.919 472 HB3 GLN 62 2HB GLN 62 2.962 13.464 3.538 473 HG2 GLN 62 1HG GLN 62 4.162 14.351 6.131 474 HG3 GLN 62 2HG GLN 62 2.868 15.094 5.192 475 HE21 GLN 62 1HE2 GLN 62 3.444 13.537 7.950 476 HE22 GLN 62 2HE2 GLN 62 1.933 12.735 8.187 477 H ASP 63 H ASP 63 6.181 11.079 3.656 478 HA ASP 63 HA ASP 63 5.158 10.373 1.024 479 HB2 ASP 63 1HB ASP 63 7.345 10.429 0.274 480 HB3 ASP 63 2HB ASP 63 7.413 11.590 1.597 481 H GLN 64 H GLN 64 5.836 8.865 3.996 482 HA GLN 64 HA GLN 64 6.282 6.238 2.826 483 HB2 GLN 64 1HB GLN 64 6.240 7.273 5.653 484 HB3 GLN 64 2HB GLN 64 6.300 5.552 5.295 485 HG2 GLN 64 1HG GLN 64 8.297 7.325 3.999 486 HG3 GLN 64 2HG GLN 64 8.483 6.962 5.714 487 HE21 GLN 64 1HE2 GLN 64 7.978 5.411 2.576 488 HE22 GLN 64 2HE2 GLN 64 8.895 3.991 2.933 489 H ILE 65 H ILE 65 4.782 4.686 2.622 490 HA ILE 65 HA ILE 65 2.072 5.294 3.595 491 HB ILE 65 HB ILE 65 2.796 3.354 1.403 492 HG12 ILE 65 1HG1 ILE 65 1.730 6.152 1.023 493 HG13 ILE 65 2HG1 ILE 65 3.447 5.772 0.947 494 HG21 ILE 65 1HG2 ILE 65 0.333 3.923 0.821 495 HG22 ILE 65 2HG2 ILE 65 0.674 2.790 2.128 496 HG23 ILE 65 3HG2 ILE 65 0.245 4.460 2.499 497 HD11 ILE 65 1HD1 ILE 65 2.635 3.992 -0.805 498 HD12 ILE 65 2HD1 ILE 65 1.266 5.096 -0.947 499 HD13 ILE 65 3HD1 ILE 65 2.904 5.673 -1.260 500 H THR 66 H THR 66 1.226 4.060 5.134 501 HA THR 66 HA THR 66 2.662 1.682 5.999 502 HB THR 66 HB THR 66 0.169 2.684 7.328 503 HG1 THR 66 1HG THR 66 2.660 3.725 8.100 504 HG21 THR 66 1HG2 THR 66 0.855 0.845 8.493 505 HG22 THR 66 2HG2 THR 66 1.841 2.060 9.307 506 HG23 THR 66 3HG2 THR 66 2.546 1.054 8.042 507 H ILE 67 H ILE 67 2.010 -0.350 5.661 508 HA ILE 67 HA ILE 67 -0.765 -0.839 4.842 509 HB ILE 67 HB ILE 67 1.621 -2.051 3.446 510 HG12 ILE 67 1HG1 ILE 67 -0.371 -0.093 2.301 511 HG13 ILE 67 2HG1 ILE 67 1.168 0.411 2.992 512 HG21 ILE 67 1HG2 ILE 67 -1.345 -2.387 3.145 513 HG22 ILE 67 2HG2 ILE 67 -0.233 -2.751 1.826 514 HG23 ILE 67 3HG2 ILE 67 -0.106 -3.625 3.352 515 HD11 ILE 67 1HD1 ILE 67 2.318 -1.027 1.340 516 HD12 ILE 67 2HD1 ILE 67 0.752 -1.369 0.606 517 HD13 ILE 67 3HD1 ILE 67 1.380 0.278 0.615 518 H THR 68 H THR 68 -1.655 -2.383 6.032 519 HA THR 68 HA THR 68 0.104 -4.232 7.488 520 HB THR 68 HB THR 68 -2.816 -3.700 8.043 521 HG1 THR 68 1HG THR 68 -2.222 -2.046 9.272 522 HG21 THR 68 1HG2 THR 68 -0.600 -5.005 9.622 523 HG22 THR 68 2HG2 THR 68 -2.066 -5.765 9.003 524 HG23 THR 68 3HG2 THR 68 -2.171 -4.574 10.298 525 H GLY 69 H GLY 69 -0.452 -6.465 7.642 526 HA2 GLY 69 1HA GLY 69 -2.268 -8.097 6.853 527 HA3 GLY 69 2HA GLY 69 -1.924 -7.412 5.272 528 H TYR 70 H TYR 70 -1.672 -10.022 5.370 529 HA TYR 70 HA TYR 70 0.585 -11.252 6.312 530 HB2 TYR 70 1HB TYR 70 -0.827 -11.678 3.674 531 HB3 TYR 70 2HB TYR 70 0.396 -12.768 4.318 532 HD1 TYR 70 1HD TYR 70 -2.982 -11.383 4.916 533 HD2 TYR 70 2HD TYR 70 -0.146 -14.371 5.979 534 HE1 TYR 70 1HE TYR 70 -4.721 -12.575 6.183 535 HE2 TYR 70 2HE TYR 70 -1.877 -15.571 7.248 536 HH TYR 70 HH TYR 70 -4.599 -15.629 7.046 537 H GLU 71 H GLU 71 2.706 -11.356 5.788 538 HA GLU 71 HA GLU 71 4.008 -9.260 4.580 539 HB2 GLU 71 1HB GLU 71 5.208 -10.804 5.980 540 HB3 GLU 71 2HB GLU 71 4.887 -12.134 4.875 541 HG2 GLU 71 1HG GLU 71 6.349 -11.242 3.238 542 HG3 GLU 71 2HG GLU 71 6.497 -9.716 4.108 543 H LYS 72 H LYS 72 2.392 -11.900 3.087 544 HA LYS 72 HA LYS 72 3.708 -11.511 0.522 545 HB2 LYS 72 1HB LYS 72 1.756 -13.248 -0.063 546 HB3 LYS 72 2HB LYS 72 3.287 -13.743 0.646 547 HG2 LYS 72 1HG LYS 72 1.011 -13.019 2.430 548 HG3 LYS 72 2HG LYS 72 1.037 -14.596 1.638 549 HD2 LYS 72 1HD LYS 72 3.486 -13.663 3.057 550 HD3 LYS 72 2HD LYS 72 2.121 -14.245 4.014 551 HE2 LYS 72 1HE LYS 72 2.144 -16.306 2.547 552 HE3 LYS 72 2HE LYS 72 3.688 -15.732 1.917 553 HZ1 LYS 72 1HZ LYS 72 4.698 -16.592 3.670 554 HZ2 LYS 72 2HZ LYS 72 3.224 -17.186 4.248 555 HZ3 LYS 72 3HZ LYS 72 3.763 -15.655 4.724 556 H ASN 73 H ASN 73 0.376 -11.371 1.785 557 HA ASN 73 HA ASN 73 -0.841 -10.322 -0.484 558 HB2 ASN 73 1HB ASN 73 -1.551 -9.863 2.422 559 HB3 ASN 73 2HB ASN 73 -2.608 -9.511 1.057 560 HD21 ASN 73 1HD2 ASN 73 -3.877 -11.029 2.554 561 HD22 ASN 73 2HD2 ASN 73 -3.797 -12.707 2.153 562 H THR 74 H THR 74 0.955 -8.723 2.069 563 HA THR 74 HA THR 74 0.235 -6.067 1.442 564 HB THR 74 HB THR 74 2.442 -5.497 2.599 565 HG1 THR 74 1HG THR 74 2.464 -8.169 3.475 566 HG21 THR 74 1HG2 THR 74 0.895 -7.285 4.396 567 HG22 THR 74 2HG2 THR 74 0.024 -5.969 3.607 568 HG23 THR 74 3HG2 THR 74 1.414 -5.617 4.633 569 H GLU 75 H GLU 75 3.340 -7.710 0.788 570 HA GLU 75 HA GLU 75 4.499 -5.862 -0.848 571 HB2 GLU 75 1HB GLU 75 4.590 -8.872 -1.093 572 HB3 GLU 75 2HB GLU 75 5.666 -7.785 -1.958 573 HG2 GLU 75 1HG GLU 75 5.448 -7.747 1.032 574 HG3 GLU 75 2HG GLU 75 6.529 -8.853 0.185 575 H ALA 76 H ALA 76 2.029 -8.219 -1.711 576 HA ALA 76 HA ALA 76 2.096 -7.831 -4.502 577 HB1 ALA 76 1HB ALA 76 -0.532 -8.467 -3.381 578 HB2 ALA 76 2HB ALA 76 0.452 -9.351 -4.549 579 HB3 ALA 76 3HB ALA 76 0.769 -9.519 -2.822 580 H ALA 77 H ALA 77 0.516 -6.093 -1.905 581 HA ALA 77 HA ALA 77 -1.081 -4.490 -3.710 582 HB1 ALA 77 1HB ALA 77 -1.653 -3.255 -1.569 583 HB2 ALA 77 2HB ALA 77 -2.128 -4.952 -1.652 584 HB3 ALA 77 3HB ALA 77 -0.702 -4.481 -0.729 585 H ARG 78 H ARG 78 1.714 -4.008 -1.574 586 HA ARG 78 HA ARG 78 2.086 -1.280 -2.000 587 HB2 ARG 78 1HB ARG 78 4.144 -1.524 -0.969 588 HB3 ARG 78 2HB ARG 78 3.278 -2.936 -0.377 589 HG2 ARG 78 1HG ARG 78 5.231 -3.925 -0.968 590 HG3 ARG 78 2HG ARG 78 4.378 -4.051 -2.507 591 HD2 ARG 78 1HD ARG 78 5.459 -1.703 -2.941 592 HD3 ARG 78 2HD ARG 78 6.601 -2.232 -1.707 593 HE ARG 78 HE ARG 78 6.152 -4.106 -3.867 594 HH11 ARG 78 1HH1 ARG 78 8.084 -1.486 -2.631 595 HH12 ARG 78 2HH1 ARG 78 9.460 -1.864 -3.615 596 HH21 ARG 78 1HH2 ARG 78 7.954 -4.613 -5.168 597 HH22 ARG 78 2HH2 ARG 78 9.384 -3.642 -5.059 598 H ASP 79 H ASP 79 2.687 -3.964 -4.077 599 HA ASP 79 HA ASP 79 4.642 -2.801 -5.760 600 HB2 ASP 79 1HB ASP 79 4.075 -5.241 -5.665 601 HB3 ASP 79 2HB ASP 79 2.578 -4.876 -6.519 602 H ALA 80 H ALA 80 1.138 -2.662 -5.691 603 HA ALA 80 HA ALA 80 0.765 -1.521 -8.252 604 HB1 ALA 80 1HB ALA 80 -1.085 -0.984 -5.961 605 HB2 ALA 80 2HB ALA 80 -1.461 -1.249 -7.665 606 HB3 ALA 80 3HB ALA 80 -0.956 -2.602 -6.652 607 H ILE 81 H ILE 81 0.692 0.003 -5.023 608 HA ILE 81 HA ILE 81 0.352 2.609 -5.627 609 HB ILE 81 HB ILE 81 2.397 1.547 -3.674 610 HG12 ILE 81 1HG1 ILE 81 -0.371 2.531 -3.026 611 HG13 ILE 81 2HG1 ILE 81 -0.093 0.859 -3.502 612 HG21 ILE 81 1HG2 ILE 81 2.875 3.635 -3.078 613 HG22 ILE 81 2HG2 ILE 81 2.007 4.172 -4.515 614 HG23 ILE 81 3HG2 ILE 81 1.167 4.059 -2.968 615 HD11 ILE 81 1HD1 ILE 81 0.076 1.927 -0.950 616 HD12 ILE 81 2HD1 ILE 81 0.611 0.329 -1.472 617 HD13 ILE 81 3HD1 ILE 81 1.751 1.675 -1.444 618 H LEU 82 H LEU 82 3.323 0.771 -6.085 619 HA LEU 82 HA LEU 82 4.817 3.074 -6.971 620 HB2 LEU 82 1HB LEU 82 5.566 0.178 -7.285 621 HB3 LEU 82 2HB LEU 82 6.638 1.577 -7.294 622 HG LEU 82 HG LEU 82 5.095 0.632 -4.880 623 HD11 LEU 82 1HD1 LEU 82 7.172 -0.298 -4.077 624 HD12 LEU 82 2HD1 LEU 82 8.005 0.215 -5.544 625 HD13 LEU 82 3HD1 LEU 82 6.758 -1.028 -5.629 626 HD21 LEU 82 1HD2 LEU 82 5.744 2.528 -3.932 627 HD22 LEU 82 2HD2 LEU 82 6.439 3.050 -5.466 628 HD23 LEU 82 3HD2 LEU 82 7.429 2.162 -4.306 629 H ARG 83 H ARG 83 3.473 0.154 -8.488 630 HA ARG 83 HA ARG 83 4.298 0.443 -11.070 631 HB2 ARG 83 1HB ARG 83 2.637 -1.258 -9.909 632 HB3 ARG 83 2HB ARG 83 1.420 -0.211 -10.627 633 HG2 ARG 83 1HG ARG 83 1.961 -0.812 -12.765 634 HG3 ARG 83 2HG ARG 83 3.630 -1.207 -12.348 635 HD2 ARG 83 1HD ARG 83 1.455 -2.847 -11.157 636 HD3 ARG 83 2HD ARG 83 1.832 -3.082 -12.863 637 HE ARG 83 HE ARG 83 3.438 -3.858 -10.608 638 HH11 ARG 83 1HH1 ARG 83 3.453 -3.047 -13.994 639 HH12 ARG 83 2HH1 ARG 83 4.913 -3.918 -14.329 640 HH21 ARG 83 1HH2 ARG 83 5.361 -5.007 -11.037 641 HH22 ARG 83 2HH2 ARG 83 5.997 -5.033 -12.647 642 H ILE 84 H ILE 84 2.008 2.415 -9.356 643 HA ILE 84 HA ILE 84 1.006 3.709 -11.739 644 HB ILE 84 HB ILE 84 0.627 4.541 -8.862 645 HG12 ILE 84 1HG1 ILE 84 -1.457 3.080 -10.427 646 HG13 ILE 84 2HG1 ILE 84 -0.141 2.153 -9.715 647 HG21 ILE 84 1HG2 ILE 84 -0.767 6.142 -9.583 648 HG22 ILE 84 2HG2 ILE 84 0.083 5.958 -11.117 649 HG23 ILE 84 3HG2 ILE 84 -1.445 5.119 -10.851 650 HD11 ILE 84 1HD1 ILE 84 -1.250 3.988 -7.799 651 HD12 ILE 84 2HD1 ILE 84 -2.499 2.949 -8.484 652 HD13 ILE 84 3HD1 ILE 84 -1.082 2.235 -7.716 653 H VAL 85 H VAL 85 2.669 4.946 -8.831 654 HA VAL 85 HA VAL 85 3.312 7.445 -9.482 655 HB VAL 85 HB VAL 85 5.280 5.436 -8.378 656 HG11 VAL 85 1HG1 VAL 85 5.790 8.036 -9.251 657 HG12 VAL 85 2HG1 VAL 85 5.653 8.156 -7.496 658 HG13 VAL 85 3HG1 VAL 85 6.813 7.039 -8.216 659 HG21 VAL 85 1HG2 VAL 85 3.022 5.898 -7.214 660 HG22 VAL 85 2HG2 VAL 85 4.499 5.964 -6.252 661 HG23 VAL 85 3HG2 VAL 85 3.734 7.456 -6.797 662 H GLY 86 H GLY 86 4.948 4.598 -10.818 663 HA2 GLY 86 1HA GLY 86 6.959 5.873 -12.258 664 HA3 GLY 86 2HA GLY 86 6.226 4.341 -12.707 665 H GLU 87 H GLU 87 3.652 5.087 -13.301 666 HA GLU 87 HA GLU 87 3.992 6.203 -15.903 667 HB2 GLU 87 1HB GLU 87 1.833 5.539 -16.311 668 HB3 GLU 87 2HB GLU 87 2.226 4.479 -14.966 669 HG2 GLU 87 1HG GLU 87 1.114 6.011 -13.427 670 HG3 GLU 87 2HG GLU 87 0.723 7.080 -14.773 671 H LEU 88 H LEU 88 2.438 7.350 -12.923 672 HA LEU 88 HA LEU 88 1.355 9.719 -13.793 673 HB2 LEU 88 1HB LEU 88 2.820 9.442 -11.182 674 HB3 LEU 88 2HB LEU 88 1.453 10.492 -11.548 675 HG LEU 88 HG LEU 88 1.364 7.482 -11.357 676 HD11 LEU 88 1HD1 LEU 88 0.771 7.673 -9.211 677 HD12 LEU 88 2HD1 LEU 88 -0.233 9.091 -9.516 678 HD13 LEU 88 3HD1 LEU 88 1.507 9.274 -9.298 679 HD21 LEU 88 1HD2 LEU 88 -0.882 7.561 -11.871 680 HD22 LEU 88 2HD2 LEU 88 -0.225 8.781 -12.961 681 HD23 LEU 88 3HD2 LEU 88 -1.025 9.272 -11.468 682 H GLU 89 H GLU 89 4.714 9.040 -12.946 683 HA GLU 89 HA GLU 89 5.705 11.650 -13.005 684 HB2 GLU 89 1HB GLU 89 6.876 8.937 -13.336 685 HB3 GLU 89 2HB GLU 89 7.848 10.303 -13.866 686 HG2 GLU 89 1HG GLU 89 7.785 11.274 -11.676 687 HG3 GLU 89 2HG GLU 89 6.653 10.045 -11.118 688 H GLN 90 H GLN 90 5.942 9.215 -15.605 689 HA GLN 90 HA GLN 90 6.571 11.259 -17.542 690 HB2 GLN 90 1HB GLN 90 7.478 8.847 -17.473 691 HB3 GLN 90 2HB GLN 90 5.935 8.391 -18.183 692 HG2 GLN 90 1HG GLN 90 6.442 10.104 -19.992 693 HG3 GLN 90 2HG GLN 90 8.084 10.119 -19.353 694 HE21 GLN 90 1HE2 GLN 90 5.611 8.117 -20.822 695 HE22 GLN 90 2HE2 GLN 90 6.686 6.919 -21.450 696 H MET 91 H MET 91 4.106 11.777 -16.414 697 HA MET 91 HA MET 91 2.041 10.799 -18.193 698 HB2 MET 91 1HB MET 91 0.521 12.161 -16.843 699 HB3 MET 91 2HB MET 91 1.533 11.148 -15.821 700 HG2 MET 91 1HG MET 91 1.692 13.096 -14.679 701 HG3 MET 91 2HG MET 91 3.046 13.307 -15.785 702 HE1 MET 91 1HE MET 91 -0.673 14.181 -15.016 703 HE2 MET 91 2HE MET 91 0.454 15.209 -14.131 704 HE3 MET 91 3HE MET 91 -0.603 15.909 -15.358 705 H SER 92 H SER 92 3.797 13.802 -17.597 706 HA SER 92 HA SER 92 2.383 15.568 -19.165 707 HB2 SER 92 1HB SER 92 5.339 15.340 -18.617 708 HB3 SER 92 2HB SER 92 4.670 16.661 -19.574 709 HG SER 92 HG SER 92 3.692 16.023 -16.999 710 H GLY 93 H GLY 93 2.674 16.336 -21.329 711 HA2 GLY 93 1HA GLY 93 3.650 14.230 -23.160 712 HA3 GLY 93 2HA GLY 93 2.252 15.240 -23.498 713 HA PRO 94 HA PRO 94 4.818 18.000 -25.736 714 HB2 PRO 94 1HB PRO 94 3.482 20.337 -25.383 715 HB3 PRO 94 2HB PRO 94 2.888 19.037 -26.425 716 HG2 PRO 94 1HG PRO 94 2.101 19.727 -23.620 717 HG3 PRO 94 2HG PRO 94 1.073 19.270 -24.990 718 HD2 PRO 94 1HD PRO 94 1.767 17.521 -23.042 719 HD3 PRO 94 2HD PRO 94 1.503 17.021 -24.725 720 H SER 95 H SER 95 6.298 19.751 -25.533 721 HA SER 95 HA SER 95 6.630 21.181 -23.087 722 HB2 SER 95 1HB SER 95 7.506 19.036 -22.319 723 HB3 SER 95 2HB SER 95 8.603 18.966 -23.698 724 HG SER 95 HG SER 95 8.748 21.245 -22.123 725 H SER 96 H SER 96 8.036 22.893 -23.296 726 HA SER 96 HA SER 96 8.961 23.406 -26.016 727 HB2 SER 96 1HB SER 96 8.900 25.285 -23.643 728 HB3 SER 96 2HB SER 96 9.166 25.726 -25.329 729 HG SER 96 HG SER 96 6.830 24.341 -24.654 730 H GLY 97 H GLY 97 10.987 22.974 -26.559 731 HA2 GLY 97 1HA GLY 97 13.024 22.863 -24.437 732 HA3 GLY 97 2HA GLY 97 13.128 22.048 -25.991 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.666 -30.251 34.191 2 HA2 GLY 1 1HA GLY 1 2.338 -32.393 33.424 3 HA3 GLY 1 2HA GLY 1 0.977 -31.778 32.499 4 H SER 2 H SER 2 1.609 -33.247 30.817 5 HA SER 2 HA SER 2 4.016 -32.412 29.343 6 HB2 SER 2 1HB SER 2 3.916 -34.614 28.243 7 HB3 SER 2 2HB SER 2 4.007 -34.780 29.996 8 HG SER 2 HG SER 2 1.712 -35.065 29.974 9 H SER 3 H SER 3 3.794 -31.420 27.448 10 HA SER 3 HA SER 3 1.267 -30.639 26.469 11 HB2 SER 3 1HB SER 3 4.071 -30.443 25.414 12 HB3 SER 3 2HB SER 3 2.709 -29.981 24.395 13 HG SER 3 HG SER 3 2.118 -28.716 26.443 14 H GLY 4 H GLY 4 -0.037 -32.373 25.979 15 HA2 GLY 4 1HA GLY 4 0.935 -34.391 24.104 16 HA3 GLY 4 2HA GLY 4 -0.591 -34.429 24.975 17 H SER 5 H SER 5 0.830 -31.941 22.871 18 HA SER 5 HA SER 5 -1.284 -32.412 20.908 19 HB2 SER 5 1HB SER 5 -0.750 -29.692 22.125 20 HB3 SER 5 2HB SER 5 -1.897 -30.042 20.831 21 HG SER 5 HG SER 5 -2.962 -31.453 22.362 22 H SER 6 H SER 6 -0.928 -31.030 18.921 23 HA SER 6 HA SER 6 1.743 -30.052 18.470 24 HB2 SER 6 1HB SER 6 0.809 -32.555 17.044 25 HB3 SER 6 2HB SER 6 2.263 -31.641 16.644 26 HG SER 6 HG SER 6 2.653 -33.457 18.030 27 H GLY 7 H GLY 7 1.615 -28.399 17.099 28 HA2 GLY 7 1HA GLY 7 0.696 -28.056 14.667 29 HA3 GLY 7 2HA GLY 7 -0.838 -28.088 15.526 30 H GLU 8 H GLU 8 2.185 -26.342 15.116 31 HA GLU 8 HA GLU 8 1.124 -24.073 16.624 32 HB2 GLU 8 1HB GLU 8 3.847 -24.739 15.527 33 HB3 GLU 8 2HB GLU 8 3.458 -23.125 16.102 34 HG2 GLU 8 1HG GLU 8 4.361 -24.010 17.989 35 HG3 GLU 8 2HG GLU 8 2.668 -24.428 18.240 36 H GLN 9 H GLN 9 1.156 -21.928 15.714 37 HA GLN 9 HA GLN 9 1.337 -21.688 12.828 38 HB2 GLN 9 1HB GLN 9 -1.234 -21.073 14.295 39 HB3 GLN 9 2HB GLN 9 -0.919 -20.751 12.595 40 HG2 GLN 9 1HG GLN 9 -0.476 -23.285 12.430 41 HG3 GLN 9 2HG GLN 9 -1.326 -23.371 13.972 42 HE21 GLN 9 1HE2 GLN 9 -1.723 -23.691 10.768 43 HE22 GLN 9 2HE2 GLN 9 -3.399 -23.301 10.623 44 H GLU 10 H GLU 10 2.725 -20.040 12.723 45 HA GLU 10 HA GLU 10 2.637 -17.879 14.647 46 HB2 GLU 10 1HB GLU 10 4.768 -18.887 13.717 47 HB3 GLU 10 2HB GLU 10 4.389 -18.086 12.198 48 HG2 GLU 10 1HG GLU 10 5.798 -16.563 13.149 49 HG3 GLU 10 2HG GLU 10 4.237 -15.954 13.696 50 H ASP 11 H ASP 11 0.269 -17.924 13.311 51 HA ASP 11 HA ASP 11 0.322 -16.096 11.078 52 HB2 ASP 11 1HB ASP 11 -2.010 -16.433 10.926 53 HB3 ASP 11 2HB ASP 11 -1.362 -17.989 11.435 54 H ARG 12 H ARG 12 -0.625 -15.986 14.488 55 HA ARG 12 HA ARG 12 -1.789 -13.518 14.667 56 HB2 ARG 12 1HB ARG 12 -0.905 -13.410 16.981 57 HB3 ARG 12 2HB ARG 12 -1.611 -14.972 16.589 58 HG2 ARG 12 1HG ARG 12 0.506 -15.998 16.420 59 HG3 ARG 12 2HG ARG 12 1.339 -14.442 16.415 60 HD2 ARG 12 1HD ARG 12 1.593 -15.456 18.580 61 HD3 ARG 12 2HD ARG 12 0.531 -14.056 18.724 62 HE ARG 12 HE ARG 12 -1.218 -16.068 18.401 63 HH11 ARG 12 1HH1 ARG 12 1.522 -15.666 20.509 64 HH12 ARG 12 2HH1 ARG 12 0.859 -16.647 21.773 65 HH21 ARG 12 1HH2 ARG 12 -2.102 -17.363 20.057 66 HH22 ARG 12 2HH2 ARG 12 -1.202 -17.614 21.514 67 H ALA 13 H ALA 13 1.554 -14.261 14.081 68 HA ALA 13 HA ALA 13 2.387 -11.500 14.501 69 HB1 ALA 13 1HB ALA 13 3.681 -13.857 14.904 70 HB2 ALA 13 2HB ALA 13 4.330 -13.362 13.340 71 HB3 ALA 13 3HB ALA 13 4.474 -12.291 14.734 72 H LEU 14 H LEU 14 2.190 -13.869 11.864 73 HA LEU 14 HA LEU 14 3.240 -12.348 9.804 74 HB2 LEU 14 1HB LEU 14 1.045 -14.405 9.793 75 HB3 LEU 14 2HB LEU 14 1.717 -13.708 8.321 76 HG LEU 14 HG LEU 14 3.463 -15.113 10.317 77 HD11 LEU 14 1HD1 LEU 14 1.609 -16.288 8.303 78 HD12 LEU 14 2HD1 LEU 14 2.045 -16.868 9.910 79 HD13 LEU 14 3HD1 LEU 14 3.181 -17.043 8.572 80 HD21 LEU 14 1HD2 LEU 14 4.080 -13.632 8.139 81 HD22 LEU 14 2HD2 LEU 14 3.953 -15.237 7.419 82 HD23 LEU 14 3HD2 LEU 14 5.073 -14.953 8.753 83 H ARG 15 H ARG 15 -0.119 -12.498 10.949 84 HA ARG 15 HA ARG 15 -1.176 -10.697 9.057 85 HB2 ARG 15 1HB ARG 15 -3.111 -10.560 10.518 86 HB3 ARG 15 2HB ARG 15 -2.558 -12.226 10.413 87 HG2 ARG 15 1HG ARG 15 -1.525 -12.073 12.580 88 HG3 ARG 15 2HG ARG 15 -1.908 -10.353 12.677 89 HD2 ARG 15 1HD ARG 15 -4.311 -10.920 12.581 90 HD3 ARG 15 2HD ARG 15 -3.883 -12.630 12.580 91 HE ARG 15 HE ARG 15 -2.660 -11.647 14.802 92 HH11 ARG 15 1HH1 ARG 15 -5.926 -11.608 13.598 93 HH12 ARG 15 2HH1 ARG 15 -6.645 -11.585 15.174 94 HH21 ARG 15 1HH2 ARG 15 -3.594 -11.617 16.882 95 HH22 ARG 15 2HH2 ARG 15 -5.317 -11.589 17.042 96 H SER 16 H SER 16 0.492 -10.234 12.083 97 HA SER 16 HA SER 16 -0.183 -7.420 12.234 98 HB2 SER 16 1HB SER 16 0.233 -9.044 14.221 99 HB3 SER 16 2HB SER 16 1.941 -8.754 13.893 100 HG SER 16 HG SER 16 1.437 -6.478 14.098 101 H PHE 17 H PHE 17 1.165 -8.271 9.849 102 HA PHE 17 HA PHE 17 3.890 -7.284 10.107 103 HB2 PHE 17 1HB PHE 17 3.901 -9.068 8.640 104 HB3 PHE 17 2HB PHE 17 2.325 -8.661 7.968 105 HD1 PHE 17 2HD PHE 17 2.153 -6.688 6.410 106 HD2 PHE 17 1HD PHE 17 5.876 -8.371 7.602 107 HE1 PHE 17 2HE PHE 17 3.250 -5.610 4.490 108 HE2 PHE 17 1HE PHE 17 6.980 -7.295 5.684 109 HZ PHE 17 HZ PHE 17 5.667 -5.914 4.124 110 H LYS 18 H LYS 18 4.449 -5.242 9.768 111 HA LYS 18 HA LYS 18 2.539 -3.482 8.379 112 HB2 LYS 18 1HB LYS 18 2.790 -2.728 10.615 113 HB3 LYS 18 2HB LYS 18 4.535 -2.941 10.571 114 HG2 LYS 18 1HG LYS 18 4.816 -1.060 9.154 115 HG3 LYS 18 2HG LYS 18 3.079 -0.939 8.865 116 HD2 LYS 18 1HD LYS 18 2.662 -0.020 10.929 117 HD3 LYS 18 2HD LYS 18 4.082 -0.767 11.668 118 HE2 LYS 18 1HE LYS 18 5.506 0.776 10.329 119 HE3 LYS 18 2HE LYS 18 4.039 1.576 9.769 120 HZ1 LYS 18 1HZ LYS 18 3.798 1.507 12.495 121 HZ2 LYS 18 2HZ LYS 18 4.225 2.852 11.561 122 HZ3 LYS 18 3HZ LYS 18 5.429 1.878 12.240 123 H LEU 19 H LEU 19 3.135 -2.596 6.511 124 HA LEU 19 HA LEU 19 5.987 -2.689 5.778 125 HB2 LEU 19 1HB LEU 19 4.795 -4.126 4.333 126 HB3 LEU 19 2HB LEU 19 3.493 -2.958 4.123 127 HG LEU 19 HG LEU 19 5.267 -1.500 2.962 128 HD11 LEU 19 1HD1 LEU 19 7.322 -2.417 3.290 129 HD12 LEU 19 2HD1 LEU 19 6.898 -3.227 1.782 130 HD13 LEU 19 3HD1 LEU 19 6.706 -4.069 3.320 131 HD21 LEU 19 1HD2 LEU 19 3.991 -2.109 1.253 132 HD22 LEU 19 2HD2 LEU 19 3.585 -3.632 2.043 133 HD23 LEU 19 3HD2 LEU 19 5.023 -3.520 1.028 134 H SER 20 H SER 20 6.809 -0.956 4.469 135 HA SER 20 HA SER 20 5.241 1.529 4.616 136 HB2 SER 20 1HB SER 20 6.941 2.732 5.614 137 HB3 SER 20 2HB SER 20 7.190 1.158 6.371 138 HG SER 20 HG SER 20 8.976 2.484 5.107 139 H VAL 21 H VAL 21 4.931 2.263 2.631 140 HA VAL 21 HA VAL 21 6.845 1.591 0.522 141 HB VAL 21 HB VAL 21 4.269 3.037 0.024 142 HG11 VAL 21 1HG1 VAL 21 4.373 1.915 -2.106 143 HG12 VAL 21 2HG1 VAL 21 5.924 2.695 -1.789 144 HG13 VAL 21 3HG1 VAL 21 5.751 0.952 -1.574 145 HG21 VAL 21 1HG2 VAL 21 4.578 0.084 0.545 146 HG22 VAL 21 2HG2 VAL 21 3.576 1.228 1.438 147 HG23 VAL 21 3HG2 VAL 21 3.170 0.812 -0.227 148 H THR 22 H THR 22 8.257 3.025 -0.222 149 HA THR 22 HA THR 22 8.130 5.773 0.715 150 HB THR 22 HB THR 22 10.271 4.552 -1.028 151 HG1 THR 22 1HG THR 22 10.164 4.663 1.821 152 HG21 THR 22 1HG2 THR 22 11.028 6.656 -0.987 153 HG22 THR 22 2HG2 THR 22 11.374 6.398 0.722 154 HG23 THR 22 3HG2 THR 22 9.848 7.133 0.232 155 H VAL 23 H VAL 23 6.720 6.977 -0.431 156 HA VAL 23 HA VAL 23 7.317 7.431 -3.239 157 HB VAL 23 HB VAL 23 4.580 6.545 -2.320 158 HG11 VAL 23 1HG1 VAL 23 3.832 6.946 -4.595 159 HG12 VAL 23 2HG1 VAL 23 4.446 8.439 -3.882 160 HG13 VAL 23 3HG1 VAL 23 5.433 7.541 -5.037 161 HG21 VAL 23 1HG2 VAL 23 6.589 5.351 -4.223 162 HG22 VAL 23 2HG2 VAL 23 6.007 4.665 -2.706 163 HG23 VAL 23 3HG2 VAL 23 4.916 4.806 -4.085 164 H ASP 24 H ASP 24 7.188 9.532 -3.700 165 HA ASP 24 HA ASP 24 6.878 11.549 -1.926 166 HB2 ASP 24 1HB ASP 24 6.084 11.590 -4.844 167 HB3 ASP 24 2HB ASP 24 6.309 13.026 -3.850 168 HA PRO 25 HA PRO 25 2.651 11.682 -0.700 169 HB2 PRO 25 1HB PRO 25 2.557 14.246 0.190 170 HB3 PRO 25 2HB PRO 25 3.367 12.949 1.079 171 HG2 PRO 25 1HG PRO 25 4.542 15.038 -0.715 172 HG3 PRO 25 2HG PRO 25 5.130 14.447 0.849 173 HD2 PRO 25 1HD PRO 25 6.174 13.615 -1.506 174 HD3 PRO 25 2HD PRO 25 6.086 12.566 -0.077 175 H LYS 26 H LYS 26 3.852 13.152 -3.395 176 HA LYS 26 HA LYS 26 1.665 14.914 -4.007 177 HB2 LYS 26 1HB LYS 26 2.746 15.264 -6.110 178 HB3 LYS 26 2HB LYS 26 4.002 15.199 -4.881 179 HG2 LYS 26 1HG LYS 26 4.561 12.940 -5.511 180 HG3 LYS 26 2HG LYS 26 3.227 12.900 -6.665 181 HD2 LYS 26 1HD LYS 26 5.101 13.345 -7.986 182 HD3 LYS 26 2HD LYS 26 4.367 14.933 -7.747 183 HE2 LYS 26 1HE LYS 26 6.489 13.951 -5.879 184 HE3 LYS 26 2HE LYS 26 6.932 14.639 -7.441 185 HZ1 LYS 26 1HZ LYS 26 6.572 16.674 -6.675 186 HZ2 LYS 26 2HZ LYS 26 6.391 16.019 -5.126 187 HZ3 LYS 26 3HZ LYS 26 5.032 16.274 -6.100 188 H TYR 27 H TYR 27 2.542 11.594 -4.726 189 HA TYR 27 HA TYR 27 0.266 11.281 -6.517 190 HB2 TYR 27 1HB TYR 27 2.335 9.256 -5.642 191 HB3 TYR 27 2HB TYR 27 1.136 9.027 -6.909 192 HD1 TYR 27 2HD TYR 27 1.229 11.380 -8.513 193 HD2 TYR 27 1HD TYR 27 4.444 9.389 -6.564 194 HE1 TYR 27 2HE TYR 27 2.796 12.303 -10.168 195 HE2 TYR 27 1HE TYR 27 6.020 10.307 -8.212 196 HH TYR 27 HH TYR 27 6.163 12.207 -9.763 197 H HIS 28 H HIS 28 1.062 10.843 -3.230 198 HA HIS 28 HA HIS 28 -0.345 8.681 -2.359 199 HB2 HIS 28 1HB HIS 28 0.264 11.340 -1.201 200 HB3 HIS 28 2HB HIS 28 -1.014 10.423 -0.408 201 HD2 HIS 28 2HD HIS 28 2.002 8.406 -1.783 202 HE1 HIS 28 1HE HIS 28 2.366 8.620 2.439 203 HE2 HIS 28 2HE HIS 28 3.312 7.650 0.316 204 HA PRO 29 HA PRO 29 -4.485 11.164 -2.246 205 HB2 PRO 29 1HB PRO 29 -4.515 13.604 -3.437 206 HB3 PRO 29 2HB PRO 29 -4.095 13.370 -1.736 207 HG2 PRO 29 1HG PRO 29 -2.294 13.734 -4.099 208 HG3 PRO 29 2HG PRO 29 -2.178 14.453 -2.482 209 HD2 PRO 29 1HD PRO 29 -0.683 12.328 -3.241 210 HD3 PRO 29 2HD PRO 29 -1.233 12.559 -1.570 211 H LYS 30 H LYS 30 -2.426 10.726 -4.875 212 HA LYS 30 HA LYS 30 -4.527 11.013 -6.880 213 HB2 LYS 30 1HB LYS 30 -1.602 10.298 -7.157 214 HB3 LYS 30 2HB LYS 30 -2.721 10.493 -8.501 215 HG2 LYS 30 1HG LYS 30 -2.088 12.671 -6.525 216 HG3 LYS 30 2HG LYS 30 -1.250 12.457 -8.063 217 HD2 LYS 30 1HD LYS 30 -3.192 12.927 -9.306 218 HD3 LYS 30 2HD LYS 30 -4.240 12.718 -7.902 219 HE2 LYS 30 1HE LYS 30 -4.074 15.055 -8.322 220 HE3 LYS 30 2HE LYS 30 -3.117 14.713 -6.882 221 HZ1 LYS 30 1HZ LYS 30 -1.372 14.445 -8.981 222 HZ2 LYS 30 2HZ LYS 30 -1.458 15.746 -7.902 223 HZ3 LYS 30 3HZ LYS 30 -2.290 15.811 -9.374 224 H ILE 31 H ILE 31 -2.817 8.580 -5.094 225 HA ILE 31 HA ILE 31 -3.629 6.402 -6.800 226 HB ILE 31 HB ILE 31 -2.485 6.297 -4.007 227 HG12 ILE 31 1HG1 ILE 31 -0.897 5.720 -6.474 228 HG13 ILE 31 2HG1 ILE 31 -1.167 7.399 -6.017 229 HG21 ILE 31 1HG2 ILE 31 -1.723 4.002 -5.179 230 HG22 ILE 31 2HG2 ILE 31 -3.197 4.166 -4.226 231 HG23 ILE 31 3HG2 ILE 31 -3.270 4.256 -5.985 232 HD11 ILE 31 1HD1 ILE 31 -0.197 5.567 -3.910 233 HD12 ILE 31 2HD1 ILE 31 0.931 6.005 -5.192 234 HD13 ILE 31 3HD1 ILE 31 0.182 7.263 -4.208 235 H ILE 32 H ILE 32 -4.573 7.674 -3.628 236 HA ILE 32 HA ILE 32 -6.336 5.846 -2.705 237 HB ILE 32 HB ILE 32 -6.716 8.839 -2.761 238 HG12 ILE 32 1HG1 ILE 32 -5.855 7.089 -0.460 239 HG13 ILE 32 2HG1 ILE 32 -4.701 7.791 -1.589 240 HG21 ILE 32 1HG2 ILE 32 -8.154 6.816 -1.049 241 HG22 ILE 32 2HG2 ILE 32 -8.351 8.567 -1.000 242 HG23 ILE 32 3HG2 ILE 32 -8.857 7.662 -2.427 243 HD11 ILE 32 1HD1 ILE 32 -6.408 9.865 -0.707 244 HD12 ILE 32 2HD1 ILE 32 -5.871 8.958 0.708 245 HD13 ILE 32 3HD1 ILE 32 -4.686 9.648 -0.399 246 H GLY 33 H GLY 33 -7.166 8.386 -5.070 247 HA2 GLY 33 1HA GLY 33 -8.482 7.618 -7.026 248 HA3 GLY 33 2HA GLY 33 -9.454 6.702 -5.886 249 H ARG 34 H ARG 34 -10.007 8.963 -7.851 250 HA ARG 34 HA ARG 34 -10.624 11.342 -6.623 251 HB2 ARG 34 1HB ARG 34 -12.318 11.665 -8.346 252 HB3 ARG 34 2HB ARG 34 -10.872 10.938 -9.034 253 HG2 ARG 34 1HG ARG 34 -11.983 8.727 -8.912 254 HG3 ARG 34 2HG ARG 34 -13.449 9.539 -8.360 255 HD2 ARG 34 1HD ARG 34 -13.831 9.355 -10.629 256 HD3 ARG 34 2HD ARG 34 -13.144 10.974 -10.503 257 HE ARG 34 HE ARG 34 -11.181 8.942 -11.000 258 HH11 ARG 34 1HH1 ARG 34 -13.510 11.074 -12.466 259 HH12 ARG 34 2HH1 ARG 34 -12.713 11.100 -14.004 260 HH21 ARG 34 1HH2 ARG 34 -10.122 8.967 -13.021 261 HH22 ARG 34 2HH2 ARG 34 -10.787 9.900 -14.319 262 H LYS 35 H LYS 35 -12.439 8.323 -6.569 263 HA LYS 35 HA LYS 35 -14.376 9.553 -4.726 264 HB2 LYS 35 1HB LYS 35 -15.222 8.446 -6.832 265 HB3 LYS 35 2HB LYS 35 -14.653 6.917 -6.176 266 HG2 LYS 35 1HG LYS 35 -16.167 7.119 -4.301 267 HG3 LYS 35 2HG LYS 35 -16.691 8.708 -4.866 268 HD2 LYS 35 1HD LYS 35 -17.584 7.699 -6.901 269 HD3 LYS 35 2HD LYS 35 -17.032 6.110 -6.366 270 HE2 LYS 35 1HE LYS 35 -18.873 7.749 -4.664 271 HE3 LYS 35 2HE LYS 35 -19.503 6.774 -5.992 272 HZ1 LYS 35 1HZ LYS 35 -19.204 4.900 -4.845 273 HZ2 LYS 35 2HZ LYS 35 -19.064 5.887 -3.479 274 HZ3 LYS 35 3HZ LYS 35 -17.675 5.355 -4.283 275 H GLY 36 H GLY 36 -12.054 6.960 -5.109 276 HA2 GLY 36 1HA GLY 36 -10.860 6.285 -3.080 277 HA3 GLY 36 2HA GLY 36 -12.405 6.335 -2.244 278 H ALA 37 H ALA 37 -13.101 5.089 -5.175 279 HA ALA 37 HA ALA 37 -13.379 2.429 -4.141 280 HB1 ALA 37 1HB ALA 37 -14.753 3.860 -5.978 281 HB2 ALA 37 2HB ALA 37 -13.772 2.835 -7.026 282 HB3 ALA 37 3HB ALA 37 -14.836 2.105 -5.824 283 H VAL 38 H VAL 38 -10.895 4.093 -5.715 284 HA VAL 38 HA VAL 38 -9.781 1.954 -7.234 285 HB VAL 38 HB VAL 38 -8.383 4.405 -6.155 286 HG11 VAL 38 1HG1 VAL 38 -6.784 2.772 -6.854 287 HG12 VAL 38 2HG1 VAL 38 -7.674 2.464 -8.347 288 HG13 VAL 38 3HG1 VAL 38 -6.870 4.015 -8.102 289 HG21 VAL 38 1HG2 VAL 38 -9.127 5.629 -7.928 290 HG22 VAL 38 2HG2 VAL 38 -9.306 4.219 -8.970 291 HG23 VAL 38 3HG2 VAL 38 -10.513 4.556 -7.730 292 H ILE 39 H ILE 39 -8.359 3.562 -4.389 293 HA ILE 39 HA ILE 39 -6.544 1.568 -3.756 294 HB ILE 39 HB ILE 39 -6.534 3.841 -2.766 295 HG12 ILE 39 1HG1 ILE 39 -6.097 2.970 -0.335 296 HG13 ILE 39 2HG1 ILE 39 -6.371 1.386 -1.052 297 HG21 ILE 39 1HG2 ILE 39 -8.817 2.766 -1.117 298 HG22 ILE 39 2HG2 ILE 39 -7.949 4.264 -0.783 299 HG23 ILE 39 3HG2 ILE 39 -8.880 4.098 -2.271 300 HD11 ILE 39 1HD1 ILE 39 -3.971 2.240 -0.880 301 HD12 ILE 39 2HD1 ILE 39 -4.495 1.551 -2.417 302 HD13 ILE 39 3HD1 ILE 39 -4.393 3.301 -2.223 303 H THR 40 H THR 40 -9.925 1.894 -2.836 304 HA THR 40 HA THR 40 -10.021 -0.103 -0.869 305 HB THR 40 HB THR 40 -12.201 0.792 -2.765 306 HG1 THR 40 1HG THR 40 -12.683 2.262 -1.207 307 HG21 THR 40 1HG2 THR 40 -13.617 -0.628 -1.778 308 HG22 THR 40 2HG2 THR 40 -13.041 -0.192 -0.169 309 HG23 THR 40 3HG2 THR 40 -12.201 -1.431 -1.101 310 H GLN 41 H GLN 41 -10.557 -0.273 -4.374 311 HA GLN 41 HA GLN 41 -11.310 -2.954 -4.532 312 HB2 GLN 41 1HB GLN 41 -11.568 -1.489 -6.430 313 HB3 GLN 41 2HB GLN 41 -9.832 -1.223 -6.517 314 HG2 GLN 41 1HG GLN 41 -10.383 -2.728 -8.247 315 HG3 GLN 41 2HG GLN 41 -9.575 -3.668 -6.994 316 HE21 GLN 41 1HE2 GLN 41 -10.625 -5.454 -8.149 317 HE22 GLN 41 2HE2 GLN 41 -12.243 -5.877 -7.715 318 H ILE 42 H ILE 42 -8.071 -1.526 -4.935 319 HA ILE 42 HA ILE 42 -6.639 -3.860 -5.350 320 HB ILE 42 HB ILE 42 -5.717 -1.406 -3.849 321 HG12 ILE 42 1HG1 ILE 42 -5.047 -1.978 -6.705 322 HG13 ILE 42 2HG1 ILE 42 -6.640 -1.329 -6.329 323 HG21 ILE 42 1HG2 ILE 42 -3.456 -2.163 -4.685 324 HG22 ILE 42 2HG2 ILE 42 -4.171 -3.136 -3.401 325 HG23 ILE 42 3HG2 ILE 42 -4.215 -3.708 -5.068 326 HD11 ILE 42 1HD1 ILE 42 -4.240 0.020 -5.206 327 HD12 ILE 42 2HD1 ILE 42 -4.643 0.251 -6.908 328 HD13 ILE 42 3HD1 ILE 42 -5.808 0.690 -5.657 329 H ARG 43 H ARG 43 -7.261 -2.213 -2.251 330 HA ARG 43 HA ARG 43 -5.940 -3.886 -0.531 331 HB2 ARG 43 1HB ARG 43 -8.597 -2.498 -0.152 332 HB3 ARG 43 2HB ARG 43 -7.708 -3.275 1.152 333 HG2 ARG 43 1HG ARG 43 -5.977 -1.710 1.065 334 HG3 ARG 43 2HG ARG 43 -6.456 -1.139 -0.535 335 HD2 ARG 43 1HD ARG 43 -7.196 0.547 0.888 336 HD3 ARG 43 2HD ARG 43 -8.644 -0.419 0.606 337 HE ARG 43 HE ARG 43 -7.234 -1.277 2.928 338 HH11 ARG 43 1HH1 ARG 43 -9.418 1.151 1.723 339 HH12 ARG 43 2HH1 ARG 43 -10.123 1.473 3.273 340 HH21 ARG 43 1HH2 ARG 43 -8.154 -0.863 4.974 341 HH22 ARG 43 2HH2 ARG 43 -9.402 0.328 5.121 342 H LEU 44 H LEU 44 -9.386 -4.207 -1.408 343 HA LEU 44 HA LEU 44 -9.838 -6.646 -0.147 344 HB2 LEU 44 1HB LEU 44 -11.110 -5.393 -2.566 345 HB3 LEU 44 2HB LEU 44 -11.686 -6.902 -1.862 346 HG LEU 44 HG LEU 44 -11.539 -4.313 -0.329 347 HD11 LEU 44 1HD1 LEU 44 -13.557 -5.320 -2.238 348 HD12 LEU 44 2HD1 LEU 44 -13.150 -3.668 -1.777 349 HD13 LEU 44 3HD1 LEU 44 -14.161 -4.653 -0.721 350 HD21 LEU 44 1HD2 LEU 44 -12.028 -5.616 1.399 351 HD22 LEU 44 2HD2 LEU 44 -12.109 -7.037 0.357 352 HD23 LEU 44 3HD2 LEU 44 -13.545 -6.043 0.607 353 H GLU 45 H GLU 45 -8.709 -5.966 -3.433 354 HA GLU 45 HA GLU 45 -8.755 -8.535 -4.476 355 HB2 GLU 45 1HB GLU 45 -8.275 -6.578 -5.844 356 HB3 GLU 45 2HB GLU 45 -6.760 -6.323 -4.992 357 HG2 GLU 45 1HG GLU 45 -5.912 -8.442 -5.856 358 HG3 GLU 45 2HG GLU 45 -7.432 -8.702 -6.708 359 H HIS 46 H HIS 46 -6.133 -6.916 -2.701 360 HA HIS 46 HA HIS 46 -4.696 -9.458 -2.521 361 HB2 HIS 46 1HB HIS 46 -3.853 -6.668 -1.711 362 HB3 HIS 46 2HB HIS 46 -2.834 -8.102 -1.636 363 HD1 HIS 46 1HD HIS 46 -2.617 -9.328 -4.142 364 HD2 HIS 46 2HD HIS 46 -3.497 -5.270 -3.990 365 HE1 HIS 46 1HE HIS 46 -2.015 -8.424 -6.411 366 H ASP 47 H ASP 47 -7.173 -8.407 -0.947 367 HA ASP 47 HA ASP 47 -7.941 -8.364 1.217 368 HB2 ASP 47 1HB ASP 47 -6.166 -10.815 1.239 369 HB3 ASP 47 2HB ASP 47 -7.397 -10.457 2.448 370 H VAL 48 H VAL 48 -6.104 -6.456 1.128 371 HA VAL 48 HA VAL 48 -4.614 -6.801 3.644 372 HB VAL 48 HB VAL 48 -2.847 -5.307 2.739 373 HG11 VAL 48 1HG1 VAL 48 -3.385 -8.050 1.947 374 HG12 VAL 48 2HG1 VAL 48 -2.315 -7.217 0.816 375 HG13 VAL 48 3HG1 VAL 48 -1.892 -7.312 2.527 376 HG21 VAL 48 1HG2 VAL 48 -3.279 -5.728 -0.043 377 HG22 VAL 48 2HG2 VAL 48 -4.718 -4.971 0.639 378 HG23 VAL 48 3HG2 VAL 48 -3.142 -4.205 0.833 379 H ASN 49 H ASN 49 -3.823 -4.492 4.379 380 HA ASN 49 HA ASN 49 -6.086 -2.629 4.076 381 HB2 ASN 49 1HB ASN 49 -6.366 -3.431 6.256 382 HB3 ASN 49 2HB ASN 49 -4.631 -3.521 6.547 383 HD21 ASN 49 1HD2 ASN 49 -3.670 -1.888 7.556 384 HD22 ASN 49 2HD2 ASN 49 -4.404 -0.364 7.911 385 H ILE 50 H ILE 50 -5.518 -0.742 3.242 386 HA ILE 50 HA ILE 50 -2.712 0.116 3.481 387 HB ILE 50 HB ILE 50 -4.774 0.803 1.386 388 HG12 ILE 50 1HG1 ILE 50 -2.097 -0.552 1.044 389 HG13 ILE 50 2HG1 ILE 50 -3.588 -1.448 1.313 390 HG21 ILE 50 1HG2 ILE 50 -2.326 2.170 2.196 391 HG22 ILE 50 2HG2 ILE 50 -2.377 1.770 0.480 392 HG23 ILE 50 3HG2 ILE 50 -3.665 2.737 1.199 393 HD11 ILE 50 1HD1 ILE 50 -2.850 0.266 -1.033 394 HD12 ILE 50 2HD1 ILE 50 -3.234 -1.455 -1.005 395 HD13 ILE 50 3HD1 ILE 50 -4.503 -0.264 -0.723 396 H GLN 51 H GLN 51 -2.227 1.999 4.446 397 HA GLN 51 HA GLN 51 -4.368 3.932 4.956 398 HB2 GLN 51 1HB GLN 51 -4.194 2.532 6.963 399 HB3 GLN 51 2HB GLN 51 -2.474 2.884 7.066 400 HG2 GLN 51 1HG GLN 51 -2.813 5.034 7.789 401 HG3 GLN 51 2HG GLN 51 -4.417 5.139 7.065 402 HE21 GLN 51 1HE2 GLN 51 -4.159 6.034 9.558 403 HE22 GLN 51 2HE2 GLN 51 -4.877 4.947 10.693 404 H PHE 52 H PHE 52 -3.727 5.800 4.132 405 HA PHE 52 HA PHE 52 -0.907 6.358 3.757 406 HB2 PHE 52 1HB PHE 52 -3.384 7.909 2.977 407 HB3 PHE 52 2HB PHE 52 -1.739 8.395 2.577 408 HD1 PHE 52 1HD PHE 52 -0.342 6.824 1.159 409 HD2 PHE 52 2HD PHE 52 -4.553 6.419 1.622 410 HE1 PHE 52 1HE PHE 52 -0.431 5.449 -0.881 411 HE2 PHE 52 2HE PHE 52 -4.649 5.043 -0.416 412 HZ PHE 52 HZ PHE 52 -2.586 4.556 -1.670 413 HA PRO 53 HA PRO 53 -0.329 8.941 7.261 414 HB2 PRO 53 1HB PRO 53 1.488 10.710 6.293 415 HB3 PRO 53 2HB PRO 53 1.889 9.030 6.670 416 HG2 PRO 53 1HG PRO 53 1.269 10.280 4.022 417 HG3 PRO 53 2HG PRO 53 2.534 9.109 4.437 418 HD2 PRO 53 1HD PRO 53 0.216 8.387 3.237 419 HD3 PRO 53 2HD PRO 53 1.077 7.323 4.367 420 H ASP 54 H ASP 54 -0.618 11.104 8.082 421 HA ASP 54 HA ASP 54 -2.559 12.622 6.497 422 HB2 ASP 54 1HB ASP 54 -2.979 11.807 8.917 423 HB3 ASP 54 2HB ASP 54 -1.918 13.132 9.390 424 H LYS 55 H LYS 55 -1.910 14.372 5.455 425 HA LYS 55 HA LYS 55 0.679 15.516 5.881 426 HB2 LYS 55 1HB LYS 55 0.064 17.063 4.089 427 HB3 LYS 55 2HB LYS 55 -0.318 15.405 3.645 428 HG2 LYS 55 1HG LYS 55 -2.228 16.423 2.964 429 HG3 LYS 55 2HG LYS 55 -2.679 16.062 4.632 430 HD2 LYS 55 1HD LYS 55 -3.292 18.297 4.371 431 HD3 LYS 55 2HD LYS 55 -1.719 18.393 5.168 432 HE2 LYS 55 1HE LYS 55 -0.639 19.075 3.224 433 HE3 LYS 55 2HE LYS 55 -1.921 18.461 2.181 434 HZ1 LYS 55 1HZ LYS 55 -2.446 20.640 2.109 435 HZ2 LYS 55 2HZ LYS 55 -1.737 20.994 3.602 436 HZ3 LYS 55 3HZ LYS 55 -3.270 20.282 3.543 437 H ASP 56 H ASP 56 -2.507 16.158 7.038 438 HA ASP 56 HA ASP 56 -2.101 18.892 7.746 439 HB2 ASP 56 1HB ASP 56 -4.332 17.645 7.437 440 HB3 ASP 56 2HB ASP 56 -4.076 17.047 9.074 441 H ASP 57 H ASP 57 -1.190 15.893 9.139 442 HA ASP 57 HA ASP 57 -0.851 16.962 11.813 443 HB2 ASP 57 1HB ASP 57 -1.422 14.488 11.034 444 HB3 ASP 57 2HB ASP 57 0.334 14.349 10.993 445 H GLY 58 H GLY 58 1.423 15.256 9.653 446 HA2 GLY 58 1HA GLY 58 3.483 16.200 8.892 447 HA3 GLY 58 2HA GLY 58 3.424 17.329 10.238 448 H ASN 59 H ASN 59 2.781 15.314 12.220 449 HA ASN 59 HA ASN 59 5.339 14.632 13.075 450 HB2 ASN 59 1HB ASN 59 2.627 13.530 13.800 451 HB3 ASN 59 2HB ASN 59 4.102 12.987 14.592 452 HD21 ASN 59 1HD2 ASN 59 5.541 15.187 14.964 453 HD22 ASN 59 2HD2 ASN 59 4.700 16.329 15.950 454 H GLN 60 H GLN 60 3.070 12.870 11.068 455 HA GLN 60 HA GLN 60 4.871 10.562 10.984 456 HB2 GLN 60 1HB GLN 60 2.301 10.600 9.480 457 HB3 GLN 60 2HB GLN 60 3.087 9.274 10.327 458 HG2 GLN 60 1HG GLN 60 1.358 9.616 11.741 459 HG3 GLN 60 2HG GLN 60 2.501 10.766 12.434 460 HE21 GLN 60 1HE2 GLN 60 -0.001 11.222 13.052 461 HE22 GLN 60 2HE2 GLN 60 -0.667 12.541 12.156 462 HA PRO 61 HA PRO 61 6.508 11.517 7.027 463 HB2 PRO 61 1HB PRO 61 6.789 9.041 5.952 464 HB3 PRO 61 2HB PRO 61 7.825 9.648 7.249 465 HG2 PRO 61 1HG PRO 61 5.449 7.834 7.414 466 HG3 PRO 61 2HG PRO 61 7.006 7.717 8.254 467 HD2 PRO 61 1HD PRO 61 4.779 8.695 9.444 468 HD3 PRO 61 2HD PRO 61 6.409 9.275 9.843 469 H GLN 62 H GLN 62 5.333 12.477 5.494 470 HA GLN 62 HA GLN 62 2.820 11.410 4.598 471 HB2 GLN 62 1HB GLN 62 4.365 13.729 3.435 472 HB3 GLN 62 2HB GLN 62 2.646 13.399 3.256 473 HG2 GLN 62 1HG GLN 62 4.089 14.224 5.762 474 HG3 GLN 62 2HG GLN 62 2.933 15.172 4.828 475 HE21 GLN 62 1HE2 GLN 62 3.188 13.743 7.629 476 HE22 GLN 62 2HE2 GLN 62 1.591 13.124 7.856 477 H ASP 63 H ASP 63 6.071 11.049 3.671 478 HA ASP 63 HA ASP 63 5.453 10.353 0.914 479 HB2 ASP 63 1HB ASP 63 7.800 10.205 0.564 480 HB3 ASP 63 2HB ASP 63 7.552 11.603 1.606 481 H GLN 64 H GLN 64 5.656 8.835 3.946 482 HA GLN 64 HA GLN 64 6.171 6.201 2.779 483 HB2 GLN 64 1HB GLN 64 6.060 7.201 5.619 484 HB3 GLN 64 2HB GLN 64 6.111 5.487 5.231 485 HG2 GLN 64 1HG GLN 64 8.170 7.249 4.026 486 HG3 GLN 64 2HG GLN 64 8.294 6.875 5.744 487 HE21 GLN 64 1HE2 GLN 64 7.848 5.328 2.593 488 HE22 GLN 64 2HE2 GLN 64 8.750 3.904 2.969 489 H ILE 65 H ILE 65 4.705 4.521 2.867 490 HA ILE 65 HA ILE 65 1.972 5.236 3.710 491 HB ILE 65 HB ILE 65 2.621 3.398 1.410 492 HG12 ILE 65 1HG1 ILE 65 1.673 6.258 1.195 493 HG13 ILE 65 2HG1 ILE 65 3.367 5.799 1.060 494 HG21 ILE 65 1HG2 ILE 65 0.486 2.850 1.973 495 HG22 ILE 65 2HG2 ILE 65 0.147 4.430 2.679 496 HG23 ILE 65 3HG2 ILE 65 0.148 4.228 0.927 497 HD11 ILE 65 1HD1 ILE 65 3.109 4.971 -1.012 498 HD12 ILE 65 2HD1 ILE 65 1.500 4.331 -0.675 499 HD13 ILE 65 3HD1 ILE 65 1.710 6.045 -1.031 500 H THR 66 H THR 66 1.286 4.019 5.329 501 HA THR 66 HA THR 66 2.625 1.557 6.016 502 HB THR 66 HB THR 66 0.119 2.407 7.397 503 HG1 THR 66 1HG THR 66 1.415 3.928 8.606 504 HG21 THR 66 1HG2 THR 66 1.779 1.866 9.358 505 HG22 THR 66 2HG2 THR 66 2.687 1.046 8.087 506 HG23 THR 66 3HG2 THR 66 1.028 0.562 8.440 507 H ILE 67 H ILE 67 1.878 -0.489 5.793 508 HA ILE 67 HA ILE 67 -0.861 -0.923 4.871 509 HB ILE 67 HB ILE 67 1.537 -2.032 3.408 510 HG12 ILE 67 1HG1 ILE 67 -0.560 -0.114 2.384 511 HG13 ILE 67 2HG1 ILE 67 0.995 0.409 3.019 512 HG21 ILE 67 1HG2 ILE 67 -1.380 -2.310 2.711 513 HG22 ILE 67 2HG2 ILE 67 -0.006 -3.102 1.939 514 HG23 ILE 67 3HG2 ILE 67 -0.460 -3.534 3.587 515 HD11 ILE 67 1HD1 ILE 67 1.157 0.358 0.655 516 HD12 ILE 67 2HD1 ILE 67 2.082 -1.010 1.274 517 HD13 ILE 67 3HD1 ILE 67 0.481 -1.270 0.582 518 H THR 68 H THR 68 -1.717 -2.411 6.148 519 HA THR 68 HA THR 68 0.034 -4.350 7.473 520 HB THR 68 HB THR 68 -2.887 -4.069 8.092 521 HG1 THR 68 1HG THR 68 -2.472 -2.311 9.373 522 HG21 THR 68 1HG2 THR 68 -1.825 -5.847 9.242 523 HG22 THR 68 2HG2 THR 68 -1.956 -4.531 10.409 524 HG23 THR 68 3HG2 THR 68 -0.414 -4.859 9.619 525 H GLY 69 H GLY 69 -0.457 -6.584 7.506 526 HA2 GLY 69 1HA GLY 69 -2.339 -8.159 6.645 527 HA3 GLY 69 2HA GLY 69 -1.886 -7.464 5.096 528 H TYR 70 H TYR 70 -1.664 -10.008 4.996 529 HA TYR 70 HA TYR 70 0.519 -11.317 6.107 530 HB2 TYR 70 1HB TYR 70 -0.878 -11.720 3.462 531 HB3 TYR 70 2HB TYR 70 0.368 -12.808 4.063 532 HD1 TYR 70 2HD TYR 70 -0.076 -13.616 6.585 533 HD2 TYR 70 1HD TYR 70 -3.070 -12.308 3.858 534 HE1 TYR 70 2HE TYR 70 -1.773 -14.859 7.859 535 HE2 TYR 70 1HE TYR 70 -4.775 -13.547 5.126 536 HH TYR 70 HH TYR 70 -4.017 -15.110 8.180 537 H GLU 71 H GLU 71 2.636 -11.067 5.892 538 HA GLU 71 HA GLU 71 3.974 -9.122 4.603 539 HB2 GLU 71 1HB GLU 71 5.199 -10.512 6.072 540 HB3 GLU 71 2HB GLU 71 4.828 -11.957 5.141 541 HG2 GLU 71 1HG GLU 71 6.219 -11.100 3.301 542 HG3 GLU 71 2HG GLU 71 6.633 -9.703 4.293 543 H LYS 72 H LYS 72 2.649 -11.984 3.138 544 HA LYS 72 HA LYS 72 4.053 -11.669 0.645 545 HB2 LYS 72 1HB LYS 72 1.761 -13.422 1.519 546 HB3 LYS 72 2HB LYS 72 2.368 -13.414 -0.131 547 HG2 LYS 72 1HG LYS 72 4.062 -14.018 2.280 548 HG3 LYS 72 2HG LYS 72 3.267 -15.244 1.289 549 HD2 LYS 72 1HD LYS 72 4.493 -14.325 -0.687 550 HD3 LYS 72 2HD LYS 72 5.388 -13.283 0.421 551 HE2 LYS 72 1HE LYS 72 6.778 -15.143 0.090 552 HE3 LYS 72 2HE LYS 72 6.019 -15.420 1.658 553 HZ1 LYS 72 1HZ LYS 72 6.113 -17.337 -0.023 554 HZ2 LYS 72 2HZ LYS 72 4.835 -16.544 -0.797 555 HZ3 LYS 72 3HZ LYS 72 4.661 -17.066 0.802 556 H ASN 73 H ASN 73 0.587 -11.504 1.488 557 HA ASN 73 HA ASN 73 -0.323 -10.401 -0.878 558 HB2 ASN 73 1HB ASN 73 -1.349 -10.066 1.944 559 HB3 ASN 73 2HB ASN 73 -2.217 -9.483 0.527 560 HD21 ASN 73 1HD2 ASN 73 -3.560 -11.165 2.016 561 HD22 ASN 73 2HD2 ASN 73 -3.636 -12.742 1.316 562 H THR 74 H THR 74 0.515 -8.642 2.109 563 HA THR 74 HA THR 74 0.099 -6.069 1.396 564 HB THR 74 HB THR 74 2.166 -5.470 2.742 565 HG1 THR 74 1HG THR 74 2.278 -8.228 3.368 566 HG21 THR 74 1HG2 THR 74 1.093 -7.025 4.748 567 HG22 THR 74 2HG2 THR 74 -0.235 -6.890 3.595 568 HG23 THR 74 3HG2 THR 74 0.512 -5.436 4.255 569 H GLU 75 H GLU 75 3.180 -7.765 0.782 570 HA GLU 75 HA GLU 75 4.447 -5.790 -0.672 571 HB2 GLU 75 1HB GLU 75 4.611 -8.792 -0.844 572 HB3 GLU 75 2HB GLU 75 5.629 -7.749 -1.828 573 HG2 GLU 75 1HG GLU 75 5.535 -7.403 1.138 574 HG3 GLU 75 2HG GLU 75 6.531 -8.664 0.412 575 H ALA 76 H ALA 76 2.104 -8.185 -1.765 576 HA ALA 76 HA ALA 76 2.332 -7.738 -4.527 577 HB1 ALA 76 1HB ALA 76 -0.357 -8.383 -3.958 578 HB2 ALA 76 2HB ALA 76 0.930 -9.456 -4.510 579 HB3 ALA 76 3HB ALA 76 0.645 -9.238 -2.784 580 H ALA 77 H ALA 77 0.404 -6.137 -2.044 581 HA ALA 77 HA ALA 77 -1.016 -4.483 -3.912 582 HB1 ALA 77 1HB ALA 77 -0.782 -3.867 -0.993 583 HB2 ALA 77 2HB ALA 77 -2.141 -3.604 -2.086 584 HB3 ALA 77 3HB ALA 77 -1.746 -5.236 -1.548 585 H ARG 78 H ARG 78 1.637 -3.972 -1.601 586 HA ARG 78 HA ARG 78 2.022 -1.251 -1.985 587 HB2 ARG 78 1HB ARG 78 3.979 -1.499 -0.814 588 HB3 ARG 78 2HB ARG 78 3.179 -3.005 -0.386 589 HG2 ARG 78 1HG ARG 78 5.219 -3.823 -0.941 590 HG3 ARG 78 2HG ARG 78 4.462 -3.868 -2.535 591 HD2 ARG 78 1HD ARG 78 5.411 -1.424 -2.697 592 HD3 ARG 78 2HD ARG 78 6.521 -2.001 -1.455 593 HE ARG 78 HE ARG 78 6.308 -3.712 -3.770 594 HH11 ARG 78 1HH1 ARG 78 7.961 -1.025 -2.297 595 HH12 ARG 78 2HH1 ARG 78 9.391 -1.208 -3.258 596 HH21 ARG 78 1HH2 ARG 78 8.185 -3.964 -5.042 597 HH22 ARG 78 2HH2 ARG 78 9.517 -2.880 -4.819 598 H ASP 79 H ASP 79 2.733 -3.894 -4.083 599 HA ASP 79 HA ASP 79 4.730 -2.658 -5.669 600 HB2 ASP 79 1HB ASP 79 4.203 -5.125 -5.599 601 HB3 ASP 79 2HB ASP 79 2.774 -4.777 -6.568 602 H ALA 80 H ALA 80 1.248 -2.522 -5.645 603 HA ALA 80 HA ALA 80 0.882 -1.449 -8.240 604 HB1 ALA 80 1HB ALA 80 -1.341 -1.187 -7.678 605 HB2 ALA 80 2HB ALA 80 -0.840 -2.480 -6.588 606 HB3 ALA 80 3HB ALA 80 -0.981 -0.827 -5.990 607 H ILE 81 H ILE 81 1.020 0.101 -5.036 608 HA ILE 81 HA ILE 81 0.616 2.716 -5.680 609 HB ILE 81 HB ILE 81 2.679 1.646 -3.752 610 HG12 ILE 81 1HG1 ILE 81 -0.084 2.708 -3.160 611 HG13 ILE 81 2HG1 ILE 81 0.235 1.001 -3.448 612 HG21 ILE 81 1HG2 ILE 81 2.789 3.782 -2.755 613 HG22 ILE 81 2HG2 ILE 81 2.976 4.048 -4.488 614 HG23 ILE 81 3HG2 ILE 81 1.429 4.379 -3.707 615 HD11 ILE 81 1HD1 ILE 81 0.857 0.725 -1.347 616 HD12 ILE 81 2HD1 ILE 81 2.061 2.006 -1.491 617 HD13 ILE 81 3HD1 ILE 81 0.405 2.400 -1.032 618 H LEU 82 H LEU 82 3.457 0.789 -6.350 619 HA LEU 82 HA LEU 82 5.002 3.075 -7.240 620 HB2 LEU 82 1HB LEU 82 5.642 0.147 -7.536 621 HB3 LEU 82 2HB LEU 82 6.759 1.501 -7.687 622 HG LEU 82 HG LEU 82 5.378 0.699 -5.127 623 HD11 LEU 82 1HD1 LEU 82 7.888 0.119 -4.610 624 HD12 LEU 82 2HD1 LEU 82 7.964 -0.112 -6.356 625 HD13 LEU 82 3HD1 LEU 82 6.826 -1.052 -5.391 626 HD21 LEU 82 1HD2 LEU 82 7.783 2.221 -4.828 627 HD22 LEU 82 2HD2 LEU 82 6.150 2.597 -4.277 628 HD23 LEU 82 3HD2 LEU 82 6.668 3.079 -5.893 629 H ARG 83 H ARG 83 3.868 0.058 -8.776 630 HA ARG 83 HA ARG 83 4.498 0.446 -11.360 631 HB2 ARG 83 1HB ARG 83 2.963 -1.347 -10.173 632 HB3 ARG 83 2HB ARG 83 1.669 -0.346 -10.818 633 HG2 ARG 83 1HG ARG 83 2.820 -0.587 -13.073 634 HG3 ARG 83 2HG ARG 83 3.773 -1.865 -12.318 635 HD2 ARG 83 1HD ARG 83 1.544 -2.889 -11.627 636 HD3 ARG 83 2HD ARG 83 0.803 -1.761 -12.759 637 HE ARG 83 HE ARG 83 2.645 -2.945 -14.296 638 HH11 ARG 83 1HH1 ARG 83 0.276 -4.249 -12.104 639 HH12 ARG 83 2HH1 ARG 83 0.082 -5.727 -12.988 640 HH21 ARG 83 1HH2 ARG 83 2.398 -4.886 -15.468 641 HH22 ARG 83 2HH2 ARG 83 1.289 -6.088 -14.900 642 H ILE 84 H ILE 84 2.129 2.256 -9.558 643 HA ILE 84 HA ILE 84 1.018 3.545 -11.890 644 HB ILE 84 HB ILE 84 0.667 4.343 -9.001 645 HG12 ILE 84 1HG1 ILE 84 -1.321 2.692 -10.516 646 HG13 ILE 84 2HG1 ILE 84 0.057 1.901 -9.760 647 HG21 ILE 84 1HG2 ILE 84 -0.154 5.544 -11.396 648 HG22 ILE 84 2HG2 ILE 84 -1.591 4.784 -10.715 649 HG23 ILE 84 3HG2 ILE 84 -0.670 5.944 -9.759 650 HD11 ILE 84 1HD1 ILE 84 -2.371 2.555 -8.579 651 HD12 ILE 84 2HD1 ILE 84 -0.909 1.987 -7.771 652 HD13 ILE 84 3HD1 ILE 84 -1.216 3.717 -7.926 653 H VAL 85 H VAL 85 2.577 4.902 -8.981 654 HA VAL 85 HA VAL 85 3.104 7.416 -9.679 655 HB VAL 85 HB VAL 85 5.137 5.541 -8.462 656 HG11 VAL 85 1HG1 VAL 85 5.294 8.358 -9.179 657 HG12 VAL 85 2HG1 VAL 85 5.630 8.059 -7.473 658 HG13 VAL 85 3HG1 VAL 85 6.571 7.234 -8.716 659 HG21 VAL 85 1HG2 VAL 85 2.692 6.327 -7.481 660 HG22 VAL 85 2HG2 VAL 85 4.053 5.751 -6.518 661 HG23 VAL 85 3HG2 VAL 85 3.803 7.482 -6.745 662 H GLY 86 H GLY 86 5.033 4.653 -10.815 663 HA2 GLY 86 1HA GLY 86 7.016 5.912 -12.221 664 HA3 GLY 86 2HA GLY 86 6.271 4.407 -12.741 665 H GLU 87 H GLU 87 3.783 5.116 -13.493 666 HA GLU 87 HA GLU 87 4.246 6.370 -16.004 667 HB2 GLU 87 1HB GLU 87 2.127 5.695 -16.568 668 HB3 GLU 87 2HB GLU 87 2.458 4.580 -15.249 669 HG2 GLU 87 1HG GLU 87 1.229 6.018 -13.712 670 HG3 GLU 87 2HG GLU 87 0.908 7.151 -15.025 671 H LEU 88 H LEU 88 2.546 7.366 -13.055 672 HA LEU 88 HA LEU 88 1.424 9.733 -13.843 673 HB2 LEU 88 1HB LEU 88 2.895 9.429 -11.238 674 HB3 LEU 88 2HB LEU 88 1.487 10.435 -11.577 675 HG LEU 88 HG LEU 88 1.530 7.420 -11.445 676 HD11 LEU 88 1HD1 LEU 88 0.732 7.548 -9.334 677 HD12 LEU 88 2HD1 LEU 88 -0.116 9.066 -9.625 678 HD13 LEU 88 3HD1 LEU 88 1.624 9.068 -9.339 679 HD21 LEU 88 1HD2 LEU 88 -0.829 7.493 -11.791 680 HD22 LEU 88 2HD2 LEU 88 -0.067 8.393 -13.104 681 HD23 LEU 88 3HD2 LEU 88 -0.836 9.257 -11.770 682 H GLU 89 H GLU 89 4.706 9.394 -12.480 683 HA GLU 89 HA GLU 89 5.641 11.922 -12.607 684 HB2 GLU 89 1HB GLU 89 6.838 9.606 -12.135 685 HB3 GLU 89 2HB GLU 89 7.409 9.826 -13.783 686 HG2 GLU 89 1HG GLU 89 7.736 11.900 -11.635 687 HG3 GLU 89 2HG GLU 89 8.937 10.656 -11.978 688 H GLN 90 H GLN 90 5.357 9.713 -15.361 689 HA GLN 90 HA GLN 90 6.560 11.334 -17.294 690 HB2 GLN 90 1HB GLN 90 5.810 8.879 -17.457 691 HB3 GLN 90 2HB GLN 90 4.230 9.523 -17.880 692 HG2 GLN 90 1HG GLN 90 5.023 10.473 -19.867 693 HG3 GLN 90 2HG GLN 90 6.708 10.315 -19.369 694 HE21 GLN 90 1HE2 GLN 90 3.984 8.757 -20.783 695 HE22 GLN 90 2HE2 GLN 90 4.778 7.288 -21.226 696 H MET 91 H MET 91 3.082 10.936 -16.606 697 HA MET 91 HA MET 91 1.963 12.686 -18.331 698 HB2 MET 91 1HB MET 91 1.272 12.396 -15.403 699 HB3 MET 91 2HB MET 91 0.236 13.153 -16.605 700 HG2 MET 91 1HG MET 91 0.487 10.875 -17.844 701 HG3 MET 91 2HG MET 91 0.939 10.280 -16.248 702 HE1 MET 91 1HE MET 91 -1.352 9.988 -18.522 703 HE2 MET 91 2HE MET 91 -1.930 8.837 -17.316 704 HE3 MET 91 3HE MET 91 -2.986 10.137 -17.872 705 H SER 92 H SER 92 2.859 13.719 -15.034 706 HA SER 92 HA SER 92 3.100 16.464 -16.026 707 HB2 SER 92 1HB SER 92 3.050 15.434 -13.178 708 HB3 SER 92 2HB SER 92 3.035 17.129 -13.666 709 HG SER 92 HG SER 92 1.056 16.409 -14.911 710 H GLY 93 H GLY 93 5.146 15.086 -16.983 711 HA2 GLY 93 1HA GLY 93 7.402 16.089 -15.397 712 HA3 GLY 93 2HA GLY 93 7.413 14.401 -15.886 713 HA PRO 94 HA PRO 94 9.190 17.324 -19.199 714 HB2 PRO 94 1HB PRO 94 11.825 16.780 -18.836 715 HB3 PRO 94 2HB PRO 94 10.993 18.100 -18.004 716 HG2 PRO 94 1HG PRO 94 11.674 15.361 -17.005 717 HG3 PRO 94 2HG PRO 94 11.816 16.922 -16.175 718 HD2 PRO 94 1HD PRO 94 9.760 15.217 -15.731 719 HD3 PRO 94 2HD PRO 94 9.576 16.980 -15.635 720 H SER 95 H SER 95 8.990 14.110 -18.378 721 HA SER 95 HA SER 95 9.316 12.130 -19.464 722 HB2 SER 95 1HB SER 95 8.638 12.094 -21.770 723 HB3 SER 95 2HB SER 95 7.666 13.317 -20.952 724 HG SER 95 HG SER 95 9.961 13.769 -22.560 725 H SER 96 H SER 96 11.692 13.068 -18.657 726 HA SER 96 HA SER 96 13.496 12.802 -20.965 727 HB2 SER 96 1HB SER 96 13.865 14.052 -18.244 728 HB3 SER 96 2HB SER 96 15.231 13.679 -19.295 729 HG SER 96 HG SER 96 13.816 14.931 -20.906 730 H GLY 97 H GLY 97 12.696 11.497 -17.806 731 HA2 GLY 97 1HA GLY 97 14.081 9.036 -18.489 732 HA3 GLY 97 2HA GLY 97 14.711 9.889 -17.088 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.341 -44.313 7.779 2 HA2 GLY 1 1HA GLY 1 0.639 -42.488 6.691 3 HA3 GLY 1 2HA GLY 1 -0.599 -42.591 5.449 4 H SER 2 H SER 2 0.379 -40.242 6.870 5 HA SER 2 HA SER 2 -2.202 -39.320 7.924 6 HB2 SER 2 1HB SER 2 -1.090 -38.080 9.708 7 HB3 SER 2 2HB SER 2 -0.692 -39.794 9.832 8 HG SER 2 HG SER 2 1.279 -39.040 9.880 9 H SER 3 H SER 3 -2.240 -36.866 8.070 10 HA SER 3 HA SER 3 -0.956 -35.780 5.655 11 HB2 SER 3 1HB SER 3 -3.560 -35.125 7.026 12 HB3 SER 3 2HB SER 3 -2.828 -34.031 5.852 13 HG SER 3 HG SER 3 -3.041 -35.577 4.286 14 H GLY 4 H GLY 4 0.564 -35.875 7.973 15 HA2 GLY 4 1HA GLY 4 2.084 -34.392 8.927 16 HA3 GLY 4 2HA GLY 4 1.111 -33.055 8.334 17 H SER 5 H SER 5 1.328 -35.525 10.847 18 HA SER 5 HA SER 5 -0.765 -34.384 12.437 19 HB2 SER 5 1HB SER 5 1.289 -36.535 12.890 20 HB3 SER 5 2HB SER 5 0.285 -35.952 14.218 21 HG SER 5 HG SER 5 -0.360 -37.772 12.486 22 H SER 6 H SER 6 2.765 -34.270 12.452 23 HA SER 6 HA SER 6 2.721 -32.424 14.722 24 HB2 SER 6 1HB SER 6 5.056 -33.732 13.305 25 HB3 SER 6 2HB SER 6 5.171 -32.716 14.743 26 HG SER 6 HG SER 6 3.958 -35.260 14.484 27 H GLY 7 H GLY 7 1.566 -31.079 12.850 28 HA2 GLY 7 1HA GLY 7 3.666 -29.306 11.778 29 HA3 GLY 7 2HA GLY 7 2.307 -29.795 10.778 30 H GLU 8 H GLU 8 3.396 -27.204 12.184 31 HA GLU 8 HA GLU 8 0.722 -26.272 12.984 32 HB2 GLU 8 1HB GLU 8 3.353 -25.834 14.370 33 HB3 GLU 8 2HB GLU 8 2.027 -24.698 14.565 34 HG2 GLU 8 1HG GLU 8 1.746 -26.082 16.375 35 HG3 GLU 8 2HG GLU 8 0.648 -26.796 15.195 36 H GLN 9 H GLN 9 0.743 -23.757 13.071 37 HA GLN 9 HA GLN 9 2.426 -22.603 10.982 38 HB2 GLN 9 1HB GLN 9 -0.593 -22.485 10.923 39 HB3 GLN 9 2HB GLN 9 0.483 -21.619 9.835 40 HG2 GLN 9 1HG GLN 9 -0.098 -23.419 8.552 41 HG3 GLN 9 2HG GLN 9 1.392 -23.997 9.293 42 HE21 GLN 9 1HE2 GLN 9 0.539 -26.112 8.757 43 HE22 GLN 9 2HE2 GLN 9 -0.580 -26.869 9.835 44 H GLU 10 H GLU 10 2.395 -20.266 10.952 45 HA GLU 10 HA GLU 10 1.411 -19.088 13.467 46 HB2 GLU 10 1HB GLU 10 3.779 -19.288 13.705 47 HB3 GLU 10 2HB GLU 10 4.058 -18.666 12.084 48 HG2 GLU 10 1HG GLU 10 3.716 -16.495 12.702 49 HG3 GLU 10 2HG GLU 10 2.651 -16.928 14.039 50 H ASP 11 H ASP 11 -0.371 -18.067 12.675 51 HA ASP 11 HA ASP 11 -0.108 -16.372 10.309 52 HB2 ASP 11 1HB ASP 11 -2.480 -16.280 10.252 53 HB3 ASP 11 2HB ASP 11 -2.073 -17.946 10.657 54 H ARG 12 H ARG 12 -0.777 -16.166 13.762 55 HA ARG 12 HA ARG 12 -1.573 -13.555 14.033 56 HB2 ARG 12 1HB ARG 12 -0.388 -13.622 16.267 57 HB3 ARG 12 2HB ARG 12 -1.525 -14.930 15.966 58 HG2 ARG 12 1HG ARG 12 0.520 -16.265 15.187 59 HG3 ARG 12 2HG ARG 12 1.467 -15.012 15.992 60 HD2 ARG 12 1HD ARG 12 -0.776 -16.321 17.460 61 HD3 ARG 12 2HD ARG 12 0.751 -17.183 17.275 62 HE ARG 12 HE ARG 12 0.229 -15.106 19.093 63 HH11 ARG 12 1HH1 ARG 12 2.686 -16.176 16.870 64 HH12 ARG 12 2HH1 ARG 12 3.987 -15.460 17.761 65 HH21 ARG 12 1HH2 ARG 12 1.934 -14.158 20.274 66 HH22 ARG 12 2HH2 ARG 12 3.560 -14.313 19.697 67 H ALA 13 H ALA 13 1.616 -14.782 13.311 68 HA ALA 13 HA ALA 13 2.913 -12.230 13.708 69 HB1 ALA 13 1HB ALA 13 4.238 -14.423 12.205 70 HB2 ALA 13 2HB ALA 13 4.892 -13.327 13.425 71 HB3 ALA 13 3HB ALA 13 3.876 -14.684 13.912 72 H LEU 14 H LEU 14 1.891 -14.230 10.972 73 HA LEU 14 HA LEU 14 2.977 -12.658 8.922 74 HB2 LEU 14 1HB LEU 14 0.572 -14.466 8.981 75 HB3 LEU 14 2HB LEU 14 1.177 -13.709 7.509 76 HG LEU 14 HG LEU 14 2.781 -15.602 9.224 77 HD11 LEU 14 1HD1 LEU 14 0.950 -16.070 6.911 78 HD12 LEU 14 2HD1 LEU 14 1.148 -17.003 8.394 79 HD13 LEU 14 3HD1 LEU 14 2.375 -17.087 7.131 80 HD21 LEU 14 1HD2 LEU 14 4.475 -14.809 8.019 81 HD22 LEU 14 2HD2 LEU 14 3.394 -13.885 6.976 82 HD23 LEU 14 3HD2 LEU 14 3.732 -15.580 6.618 83 H ARG 15 H ARG 15 -0.121 -12.480 10.606 84 HA ARG 15 HA ARG 15 -1.159 -10.385 8.956 85 HB2 ARG 15 1HB ARG 15 -2.988 -10.292 10.532 86 HB3 ARG 15 2HB ARG 15 -2.601 -11.974 10.199 87 HG2 ARG 15 1HG ARG 15 -1.482 -12.204 12.300 88 HG3 ARG 15 2HG ARG 15 -1.623 -10.472 12.615 89 HD2 ARG 15 1HD ARG 15 -3.951 -12.364 12.307 90 HD3 ARG 15 2HD ARG 15 -3.281 -11.839 13.851 91 HE ARG 15 HE ARG 15 -4.002 -9.629 12.206 92 HH11 ARG 15 1HH1 ARG 15 -5.291 -12.066 14.333 93 HH12 ARG 15 2HH1 ARG 15 -6.673 -11.125 14.786 94 HH21 ARG 15 1HH2 ARG 15 -5.817 -8.380 12.796 95 HH22 ARG 15 2HH2 ARG 15 -6.972 -9.030 13.912 96 H SER 16 H SER 16 0.996 -10.522 11.603 97 HA SER 16 HA SER 16 0.553 -7.730 12.337 98 HB2 SER 16 1HB SER 16 1.804 -8.139 14.270 99 HB3 SER 16 2HB SER 16 0.989 -9.681 14.003 100 HG SER 16 HG SER 16 3.151 -10.084 14.388 101 H PHE 17 H PHE 17 1.486 -8.135 9.730 102 HA PHE 17 HA PHE 17 4.311 -7.334 9.877 103 HB2 PHE 17 1HB PHE 17 4.246 -9.112 8.389 104 HB3 PHE 17 2HB PHE 17 2.660 -8.669 7.767 105 HD1 PHE 17 2HD PHE 17 2.443 -6.810 6.154 106 HD2 PHE 17 1HD PHE 17 6.236 -8.268 7.422 107 HE1 PHE 17 2HE PHE 17 3.506 -5.704 4.231 108 HE2 PHE 17 1HE PHE 17 7.306 -7.163 5.501 109 HZ PHE 17 HZ PHE 17 5.941 -5.881 3.901 110 H LYS 18 H LYS 18 4.702 -5.235 9.755 111 HA LYS 18 HA LYS 18 2.747 -3.495 8.420 112 HB2 LYS 18 1HB LYS 18 3.133 -2.864 10.704 113 HB3 LYS 18 2HB LYS 18 4.877 -2.914 10.480 114 HG2 LYS 18 1HG LYS 18 4.898 -0.938 9.247 115 HG3 LYS 18 2HG LYS 18 3.170 -1.026 8.902 116 HD2 LYS 18 1HD LYS 18 2.577 -0.270 11.003 117 HD3 LYS 18 2HD LYS 18 4.097 -0.795 11.733 118 HE2 LYS 18 1HE LYS 18 4.028 1.390 9.679 119 HE3 LYS 18 2HE LYS 18 3.704 1.727 11.378 120 HZ1 LYS 18 1HZ LYS 18 6.151 0.325 10.475 121 HZ2 LYS 18 2HZ LYS 18 5.850 1.029 11.983 122 HZ3 LYS 18 3HZ LYS 18 6.071 2.008 10.621 123 H LEU 19 H LEU 19 3.226 -2.761 6.466 124 HA LEU 19 HA LEU 19 6.049 -2.676 5.644 125 HB2 LEU 19 1HB LEU 19 4.939 -4.141 4.208 126 HB3 LEU 19 2HB LEU 19 3.501 -3.125 4.136 127 HG LEU 19 HG LEU 19 5.125 -1.453 2.926 128 HD11 LEU 19 1HD1 LEU 19 6.846 -2.508 1.640 129 HD12 LEU 19 2HD1 LEU 19 6.413 -4.096 2.270 130 HD13 LEU 19 3HD1 LEU 19 7.116 -2.885 3.341 131 HD21 LEU 19 1HD2 LEU 19 3.177 -3.236 2.127 132 HD22 LEU 19 2HD2 LEU 19 4.531 -3.599 1.057 133 HD23 LEU 19 3HD2 LEU 19 3.889 -1.959 1.141 134 H SER 20 H SER 20 6.854 -0.875 4.546 135 HA SER 20 HA SER 20 5.140 1.518 4.574 136 HB2 SER 20 1HB SER 20 7.800 1.095 5.840 137 HB3 SER 20 2HB SER 20 7.509 2.658 5.077 138 HG SER 20 HG SER 20 5.445 2.550 6.369 139 H VAL 21 H VAL 21 4.883 2.147 2.542 140 HA VAL 21 HA VAL 21 6.949 1.597 0.560 141 HB VAL 21 HB VAL 21 4.257 2.879 0.098 142 HG11 VAL 21 1HG1 VAL 21 6.221 2.953 -1.610 143 HG12 VAL 21 2HG1 VAL 21 5.793 1.264 -1.892 144 HG13 VAL 21 3HG1 VAL 21 4.598 2.534 -2.158 145 HG21 VAL 21 1HG2 VAL 21 3.902 0.726 1.146 146 HG22 VAL 21 2HG2 VAL 21 3.486 0.629 -0.565 147 HG23 VAL 21 3HG2 VAL 21 5.012 -0.041 0.011 148 H THR 22 H THR 22 8.249 3.092 -0.320 149 HA THR 22 HA THR 22 8.113 5.805 0.735 150 HB THR 22 HB THR 22 10.251 4.760 -1.109 151 HG1 THR 22 1HG THR 22 9.732 3.525 1.018 152 HG21 THR 22 1HG2 THR 22 10.564 6.692 1.166 153 HG22 THR 22 2HG2 THR 22 9.984 7.232 -0.411 154 HG23 THR 22 3HG2 THR 22 11.575 6.487 -0.264 155 H VAL 23 H VAL 23 6.463 6.793 -0.392 156 HA VAL 23 HA VAL 23 7.045 7.345 -3.214 157 HB VAL 23 HB VAL 23 4.353 6.521 -2.127 158 HG11 VAL 23 1HG1 VAL 23 3.948 8.359 -3.584 159 HG12 VAL 23 2HG1 VAL 23 5.091 7.743 -4.778 160 HG13 VAL 23 3HG1 VAL 23 3.575 6.890 -4.484 161 HG21 VAL 23 1HG2 VAL 23 5.859 4.676 -2.687 162 HG22 VAL 23 2HG2 VAL 23 4.492 4.751 -3.801 163 HG23 VAL 23 3HG2 VAL 23 6.075 5.342 -4.306 164 H ASP 24 H ASP 24 6.843 9.435 -3.757 165 HA ASP 24 HA ASP 24 6.711 11.476 -1.941 166 HB2 ASP 24 1HB ASP 24 6.033 11.395 -4.871 167 HB3 ASP 24 2HB ASP 24 5.930 12.894 -3.954 168 HA PRO 25 HA PRO 25 2.530 11.789 -0.606 169 HB2 PRO 25 1HB PRO 25 2.517 14.390 0.172 170 HB3 PRO 25 2HB PRO 25 3.330 13.117 1.090 171 HG2 PRO 25 1HG PRO 25 4.487 15.100 -0.831 172 HG3 PRO 25 2HG PRO 25 5.114 14.566 0.740 173 HD2 PRO 25 1HD PRO 25 6.063 13.610 -1.609 174 HD3 PRO 25 2HD PRO 25 6.001 12.625 -0.132 175 H LYS 26 H LYS 26 3.719 13.244 -3.360 176 HA LYS 26 HA LYS 26 1.432 14.896 -3.970 177 HB2 LYS 26 1HB LYS 26 2.608 15.615 -5.806 178 HB3 LYS 26 2HB LYS 26 3.938 15.098 -4.779 179 HG2 LYS 26 1HG LYS 26 4.049 12.976 -5.969 180 HG3 LYS 26 2HG LYS 26 2.694 13.471 -6.987 181 HD2 LYS 26 1HD LYS 26 4.423 14.059 -8.356 182 HD3 LYS 26 2HD LYS 26 4.271 15.555 -7.431 183 HE2 LYS 26 1HE LYS 26 5.971 14.344 -5.828 184 HE3 LYS 26 2HE LYS 26 6.352 13.426 -7.285 185 HZ1 LYS 26 1HZ LYS 26 7.664 15.100 -7.856 186 HZ2 LYS 26 2HZ LYS 26 7.107 16.072 -6.588 187 HZ3 LYS 26 3HZ LYS 26 6.288 16.063 -8.068 188 H TYR 27 H TYR 27 2.568 11.667 -4.721 189 HA TYR 27 HA TYR 27 0.417 11.221 -6.626 190 HB2 TYR 27 1HB TYR 27 2.446 9.233 -5.594 191 HB3 TYR 27 2HB TYR 27 1.437 9.073 -7.027 192 HD1 TYR 27 2HD TYR 27 1.730 11.593 -8.398 193 HD2 TYR 27 1HD TYR 27 4.653 9.349 -6.273 194 HE1 TYR 27 2HE TYR 27 3.499 12.618 -9.764 195 HE2 TYR 27 1HE TYR 27 6.432 10.368 -7.632 196 HH TYR 27 HH TYR 27 6.054 13.079 -9.420 197 H HIS 28 H HIS 28 1.000 10.855 -3.289 198 HA HIS 28 HA HIS 28 -0.371 8.620 -2.516 199 HB2 HIS 28 1HB HIS 28 0.096 11.282 -1.304 200 HB3 HIS 28 2HB HIS 28 -1.196 10.322 -0.591 201 HD2 HIS 28 2HD HIS 28 1.997 8.465 -1.815 202 HE1 HIS 28 1HE HIS 28 2.036 8.544 2.426 203 HE2 HIS 28 2HE HIS 28 3.183 7.695 0.350 204 HA PRO 29 HA PRO 29 -4.579 10.982 -2.614 205 HB2 PRO 29 1HB PRO 29 -4.614 13.432 -3.785 206 HB3 PRO 29 2HB PRO 29 -4.283 13.193 -2.065 207 HG2 PRO 29 1HG PRO 29 -2.364 13.632 -4.321 208 HG3 PRO 29 2HG PRO 29 -2.359 14.339 -2.694 209 HD2 PRO 29 1HD PRO 29 -0.763 12.264 -3.386 210 HD3 PRO 29 2HD PRO 29 -1.413 12.463 -1.746 211 H LYS 30 H LYS 30 -2.365 10.629 -5.127 212 HA LYS 30 HA LYS 30 -4.350 10.889 -7.250 213 HB2 LYS 30 1HB LYS 30 -1.396 10.252 -7.327 214 HB3 LYS 30 2HB LYS 30 -2.421 10.361 -8.751 215 HG2 LYS 30 1HG LYS 30 -2.035 12.622 -6.806 216 HG3 LYS 30 2HG LYS 30 -1.058 12.396 -8.259 217 HD2 LYS 30 1HD LYS 30 -2.920 12.718 -9.678 218 HD3 LYS 30 2HD LYS 30 -4.061 12.559 -8.340 219 HE2 LYS 30 1HE LYS 30 -3.935 14.869 -8.852 220 HE3 LYS 30 2HE LYS 30 -3.023 14.635 -7.361 221 HZ1 LYS 30 1HZ LYS 30 -1.372 15.682 -8.383 222 HZ2 LYS 30 2HZ LYS 30 -2.131 15.601 -9.892 223 HZ3 LYS 30 3HZ LYS 30 -1.181 14.309 -9.354 224 H ILE 31 H ILE 31 -2.850 8.484 -5.297 225 HA ILE 31 HA ILE 31 -3.521 6.302 -7.090 226 HB ILE 31 HB ILE 31 -2.474 6.157 -4.261 227 HG12 ILE 31 1HG1 ILE 31 -0.779 5.716 -6.689 228 HG13 ILE 31 2HG1 ILE 31 -1.090 7.363 -6.151 229 HG21 ILE 31 1HG2 ILE 31 -1.606 3.920 -5.477 230 HG22 ILE 31 2HG2 ILE 31 -3.120 4.018 -4.578 231 HG23 ILE 31 3HG2 ILE 31 -3.127 4.166 -6.334 232 HD11 ILE 31 1HD1 ILE 31 -0.186 5.451 -4.094 233 HD12 ILE 31 2HD1 ILE 31 0.990 5.924 -5.321 234 HD13 ILE 31 3HD1 ILE 31 0.213 7.154 -4.323 235 H ILE 32 H ILE 32 -4.702 7.753 -4.118 236 HA ILE 32 HA ILE 32 -6.469 5.803 -3.252 237 HB ILE 32 HB ILE 32 -6.844 8.799 -3.140 238 HG12 ILE 32 1HG1 ILE 32 -5.893 7.063 -0.883 239 HG13 ILE 32 2HG1 ILE 32 -4.754 7.627 -2.101 240 HG21 ILE 32 1HG2 ILE 32 -8.009 7.238 -0.990 241 HG22 ILE 32 2HG2 ILE 32 -8.727 8.503 -1.986 242 HG23 ILE 32 3HG2 ILE 32 -8.701 6.836 -2.561 243 HD11 ILE 32 1HD1 ILE 32 -5.905 9.953 -1.506 244 HD12 ILE 32 2HD1 ILE 32 -6.148 9.116 0.029 245 HD13 ILE 32 3HD1 ILE 32 -4.520 9.311 -0.622 246 H GLY 33 H GLY 33 -7.210 8.570 -5.387 247 HA2 GLY 33 1HA GLY 33 -8.500 8.240 -7.403 248 HA3 GLY 33 2HA GLY 33 -9.338 6.925 -6.594 249 H ARG 34 H ARG 34 -10.803 8.822 -7.871 250 HA ARG 34 HA ARG 34 -11.566 11.072 -6.427 251 HB2 ARG 34 1HB ARG 34 -12.237 10.396 -8.794 252 HB3 ARG 34 2HB ARG 34 -13.478 9.399 -8.047 253 HG2 ARG 34 1HG ARG 34 -13.287 12.293 -7.348 254 HG3 ARG 34 2HG ARG 34 -14.047 11.797 -8.862 255 HD2 ARG 34 1HD ARG 34 -15.488 10.246 -7.497 256 HD3 ARG 34 2HD ARG 34 -14.841 11.035 -6.058 257 HE ARG 34 HE ARG 34 -16.753 12.122 -7.936 258 HH11 ARG 34 1HH1 ARG 34 -14.488 12.779 -5.375 259 HH12 ARG 34 2HH1 ARG 34 -15.221 14.287 -4.937 260 HH21 ARG 34 1HH2 ARG 34 -17.727 14.105 -7.369 261 HH22 ARG 34 2HH2 ARG 34 -17.064 15.039 -6.071 262 H LYS 35 H LYS 35 -13.538 8.112 -6.635 263 HA LYS 35 HA LYS 35 -14.759 8.746 -4.079 264 HB2 LYS 35 1HB LYS 35 -15.878 7.767 -6.261 265 HB3 LYS 35 2HB LYS 35 -15.356 6.232 -5.580 266 HG2 LYS 35 1HG LYS 35 -16.529 7.201 -3.420 267 HG3 LYS 35 2HG LYS 35 -17.426 8.130 -4.624 268 HD2 LYS 35 1HD LYS 35 -18.095 6.083 -5.742 269 HD3 LYS 35 2HD LYS 35 -17.129 5.126 -4.617 270 HE2 LYS 35 1HE LYS 35 -19.253 6.959 -3.584 271 HE3 LYS 35 2HE LYS 35 -19.696 5.386 -4.243 272 HZ1 LYS 35 1HZ LYS 35 -17.645 5.705 -2.131 273 HZ2 LYS 35 2HZ LYS 35 -18.428 4.287 -2.615 274 HZ3 LYS 35 3HZ LYS 35 -19.284 5.482 -1.777 275 H GLY 36 H GLY 36 -11.896 7.642 -4.594 276 HA2 GLY 36 1HA GLY 36 -10.428 6.312 -3.436 277 HA3 GLY 36 2HA GLY 36 -11.645 6.247 -2.169 278 H ALA 37 H ALA 37 -12.491 5.135 -5.329 279 HA ALA 37 HA ALA 37 -12.982 2.487 -4.317 280 HB1 ALA 37 1HB ALA 37 -13.182 2.983 -7.220 281 HB2 ALA 37 2HB ALA 37 -14.318 2.204 -6.116 282 HB3 ALA 37 3HB ALA 37 -14.219 3.965 -6.184 283 H VAL 38 H VAL 38 -10.575 4.048 -6.316 284 HA VAL 38 HA VAL 38 -9.420 1.833 -7.550 285 HB VAL 38 HB VAL 38 -8.052 4.344 -6.570 286 HG11 VAL 38 1HG1 VAL 38 -7.131 2.388 -8.672 287 HG12 VAL 38 2HG1 VAL 38 -6.281 3.832 -8.118 288 HG13 VAL 38 3HG1 VAL 38 -6.500 2.464 -7.028 289 HG21 VAL 38 1HG2 VAL 38 -8.246 4.800 -9.136 290 HG22 VAL 38 2HG2 VAL 38 -9.576 3.646 -9.041 291 HG23 VAL 38 3HG2 VAL 38 -9.617 5.120 -8.074 292 H ILE 39 H ILE 39 -8.018 3.503 -4.728 293 HA ILE 39 HA ILE 39 -6.214 1.548 -4.004 294 HB ILE 39 HB ILE 39 -6.209 3.775 -3.001 295 HG12 ILE 39 1HG1 ILE 39 -5.925 3.032 -0.572 296 HG13 ILE 39 2HG1 ILE 39 -6.423 1.432 -1.111 297 HG21 ILE 39 1HG2 ILE 39 -8.668 2.845 -1.523 298 HG22 ILE 39 2HG2 ILE 39 -7.795 4.346 -1.218 299 HG23 ILE 39 3HG2 ILE 39 -8.606 4.097 -2.764 300 HD11 ILE 39 1HD1 ILE 39 -4.511 1.150 -2.410 301 HD12 ILE 39 2HD1 ILE 39 -4.138 2.874 -2.399 302 HD13 ILE 39 3HD1 ILE 39 -3.928 1.916 -0.933 303 H THR 40 H THR 40 -9.608 1.861 -3.067 304 HA THR 40 HA THR 40 -9.732 -0.155 -1.153 305 HB THR 40 HB THR 40 -11.880 0.664 -3.118 306 HG1 THR 40 1HG THR 40 -12.419 2.173 -1.625 307 HG21 THR 40 1HG2 THR 40 -12.586 -0.372 -0.446 308 HG22 THR 40 2HG2 THR 40 -11.951 -1.558 -1.586 309 HG23 THR 40 3HG2 THR 40 -13.380 -0.612 -2.001 310 H GLN 41 H GLN 41 -10.435 -0.384 -4.641 311 HA GLN 41 HA GLN 41 -11.053 -3.050 -4.826 312 HB2 GLN 41 1HB GLN 41 -11.135 -1.421 -6.699 313 HB3 GLN 41 2HB GLN 41 -9.382 -1.499 -6.810 314 HG2 GLN 41 1HG GLN 41 -10.420 -2.882 -8.505 315 HG3 GLN 41 2HG GLN 41 -9.512 -3.869 -7.360 316 HE21 GLN 41 1HE2 GLN 41 -10.639 -5.735 -7.714 317 HE22 GLN 41 2HE2 GLN 41 -12.292 -5.949 -7.258 318 H ILE 42 H ILE 42 -7.883 -1.575 -4.516 319 HA ILE 42 HA ILE 42 -6.452 -4.027 -4.967 320 HB ILE 42 HB ILE 42 -5.515 -1.395 -3.817 321 HG12 ILE 42 1HG1 ILE 42 -4.822 -2.480 -6.528 322 HG13 ILE 42 2HG1 ILE 42 -6.345 -1.632 -6.284 323 HG21 ILE 42 1HG2 ILE 42 -3.995 -2.998 -3.025 324 HG22 ILE 42 2HG2 ILE 42 -4.039 -3.908 -4.534 325 HG23 ILE 42 3HG2 ILE 42 -3.240 -2.338 -4.476 326 HD11 ILE 42 1HD1 ILE 42 -3.565 -0.599 -6.219 327 HD12 ILE 42 2HD1 ILE 42 -5.013 0.086 -6.956 328 HD13 ILE 42 3HD1 ILE 42 -4.781 0.183 -5.210 329 H ARG 43 H ARG 43 -7.511 -2.167 -2.167 330 HA ARG 43 HA ARG 43 -6.095 -3.546 -0.185 331 HB2 ARG 43 1HB ARG 43 -8.634 -1.954 -0.206 332 HB3 ARG 43 2HB ARG 43 -8.163 -2.825 1.247 333 HG2 ARG 43 1HG ARG 43 -6.213 -1.550 1.513 334 HG3 ARG 43 2HG ARG 43 -6.305 -0.918 -0.132 335 HD2 ARG 43 1HD ARG 43 -7.089 0.877 1.065 336 HD3 ARG 43 2HD ARG 43 -8.596 0.042 0.692 337 HE ARG 43 HE ARG 43 -7.627 -0.908 3.143 338 HH11 ARG 43 1HH1 ARG 43 -8.956 1.990 1.744 339 HH12 ARG 43 2HH1 ARG 43 -9.648 2.547 3.231 340 HH21 ARG 43 1HH2 ARG 43 -8.534 -0.185 5.107 341 HH22 ARG 43 2HH2 ARG 43 -9.407 1.310 5.144 342 H LEU 44 H LEU 44 -9.164 -4.248 -1.763 343 HA LEU 44 HA LEU 44 -9.722 -6.505 -0.052 344 HB2 LEU 44 1HB LEU 44 -11.036 -5.300 -2.458 345 HB3 LEU 44 2HB LEU 44 -11.525 -6.887 -1.867 346 HG LEU 44 HG LEU 44 -11.600 -4.365 -0.215 347 HD11 LEU 44 1HD1 LEU 44 -13.351 -5.253 -2.297 348 HD12 LEU 44 2HD1 LEU 44 -13.454 -3.808 -1.292 349 HD13 LEU 44 3HD1 LEU 44 -14.190 -5.315 -0.747 350 HD21 LEU 44 1HD2 LEU 44 -11.584 -6.974 0.608 351 HD22 LEU 44 2HD2 LEU 44 -13.309 -6.630 0.479 352 HD23 LEU 44 3HD2 LEU 44 -12.283 -5.625 1.502 353 H GLU 45 H GLU 45 -8.628 -5.981 -3.379 354 HA GLU 45 HA GLU 45 -8.641 -8.539 -4.364 355 HB2 GLU 45 1HB GLU 45 -7.983 -6.563 -5.674 356 HB3 GLU 45 2HB GLU 45 -6.476 -6.468 -4.774 357 HG2 GLU 45 1HG GLU 45 -5.814 -7.522 -6.701 358 HG3 GLU 45 2HG GLU 45 -6.106 -8.886 -5.625 359 H HIS 46 H HIS 46 -5.948 -7.010 -2.597 360 HA HIS 46 HA HIS 46 -4.649 -9.594 -2.287 361 HB2 HIS 46 1HB HIS 46 -3.722 -6.967 -1.133 362 HB3 HIS 46 2HB HIS 46 -2.758 -8.399 -1.483 363 HD1 HIS 46 1HD HIS 46 -2.857 -9.001 -4.239 364 HD2 HIS 46 2HD HIS 46 -3.409 -5.068 -3.019 365 HE1 HIS 46 1HE HIS 46 -2.373 -7.595 -6.266 366 H ASP 47 H ASP 47 -7.037 -7.966 -0.710 367 HA ASP 47 HA ASP 47 -8.018 -8.154 1.334 368 HB2 ASP 47 1HB ASP 47 -7.493 -10.636 0.699 369 HB3 ASP 47 2HB ASP 47 -6.278 -10.512 1.969 370 H VAL 48 H VAL 48 -5.863 -6.396 1.163 371 HA VAL 48 HA VAL 48 -4.676 -6.647 3.851 372 HB VAL 48 HB VAL 48 -2.729 -5.420 3.088 373 HG11 VAL 48 1HG1 VAL 48 -1.692 -7.120 1.809 374 HG12 VAL 48 2HG1 VAL 48 -2.902 -7.926 2.810 375 HG13 VAL 48 3HG1 VAL 48 -3.227 -7.624 1.102 376 HG21 VAL 48 1HG2 VAL 48 -2.811 -5.409 0.333 377 HG22 VAL 48 2HG2 VAL 48 -4.432 -4.886 0.789 378 HG23 VAL 48 3HG2 VAL 48 -3.023 -4.007 1.382 379 H ASN 49 H ASN 49 -3.906 -4.402 4.646 380 HA ASN 49 HA ASN 49 -6.063 -2.466 4.116 381 HB2 ASN 49 1HB ASN 49 -6.147 -3.433 6.383 382 HB3 ASN 49 2HB ASN 49 -4.501 -2.878 6.675 383 HD21 ASN 49 1HD2 ASN 49 -4.570 -1.255 8.045 384 HD22 ASN 49 2HD2 ASN 49 -5.657 0.086 7.981 385 H ILE 50 H ILE 50 -5.443 -0.651 3.165 386 HA ILE 50 HA ILE 50 -2.627 0.180 3.415 387 HB ILE 50 HB ILE 50 -4.600 0.769 1.204 388 HG12 ILE 50 1HG1 ILE 50 -2.011 -0.773 1.045 389 HG13 ILE 50 2HG1 ILE 50 -3.558 -1.552 1.356 390 HG21 ILE 50 1HG2 ILE 50 -2.105 1.495 0.309 391 HG22 ILE 50 2HG2 ILE 50 -3.362 2.597 0.871 392 HG23 ILE 50 3HG2 ILE 50 -2.105 2.053 1.982 393 HD11 ILE 50 1HD1 ILE 50 -2.974 0.128 -1.069 394 HD12 ILE 50 2HD1 ILE 50 -2.830 -1.630 -1.011 395 HD13 ILE 50 3HD1 ILE 50 -4.401 -0.865 -0.770 396 H GLN 51 H GLN 51 -2.318 1.853 4.712 397 HA GLN 51 HA GLN 51 -4.398 3.937 4.842 398 HB2 GLN 51 1HB GLN 51 -4.156 2.536 6.922 399 HB3 GLN 51 2HB GLN 51 -2.528 3.179 7.088 400 HG2 GLN 51 1HG GLN 51 -3.766 4.530 8.490 401 HG3 GLN 51 2HG GLN 51 -3.665 5.486 7.012 402 HE21 GLN 51 1HE2 GLN 51 -5.726 3.416 8.942 403 HE22 GLN 51 2HE2 GLN 51 -7.225 3.978 8.292 404 H PHE 52 H PHE 52 -3.777 5.933 4.327 405 HA PHE 52 HA PHE 52 -0.943 6.412 3.810 406 HB2 PHE 52 1HB PHE 52 -3.360 8.083 3.091 407 HB3 PHE 52 2HB PHE 52 -1.707 8.391 2.573 408 HD1 PHE 52 1HD PHE 52 -0.638 6.974 0.910 409 HD2 PHE 52 2HD PHE 52 -4.677 6.342 2.093 410 HE1 PHE 52 1HE PHE 52 -0.990 5.550 -1.065 411 HE2 PHE 52 2HE PHE 52 -5.035 4.917 0.119 412 HZ PHE 52 HZ PHE 52 -3.191 4.518 -1.462 413 HA PRO 53 HA PRO 53 -0.316 8.960 7.332 414 HB2 PRO 53 1HB PRO 53 1.566 10.667 6.375 415 HB3 PRO 53 2HB PRO 53 1.908 8.976 6.759 416 HG2 PRO 53 1HG PRO 53 1.352 10.239 4.103 417 HG3 PRO 53 2HG PRO 53 2.574 9.028 4.531 418 HD2 PRO 53 1HD PRO 53 0.244 8.380 3.313 419 HD3 PRO 53 2HD PRO 53 1.061 7.291 4.453 420 H ASP 54 H ASP 54 -0.518 11.148 8.138 421 HA ASP 54 HA ASP 54 -2.271 12.795 6.441 422 HB2 ASP 54 1HB ASP 54 -2.974 11.776 8.784 423 HB3 ASP 54 2HB ASP 54 -2.120 13.189 9.397 424 H LYS 55 H LYS 55 -1.636 14.771 5.865 425 HA LYS 55 HA LYS 55 0.988 15.683 6.430 426 HB2 LYS 55 1HB LYS 55 0.482 17.545 5.041 427 HB3 LYS 55 2HB LYS 55 -0.353 16.163 4.344 428 HG2 LYS 55 1HG LYS 55 -1.832 17.887 6.259 429 HG3 LYS 55 2HG LYS 55 -1.542 18.489 4.626 430 HD2 LYS 55 1HD LYS 55 -2.451 16.181 3.877 431 HD3 LYS 55 2HD LYS 55 -3.116 16.099 5.510 432 HE2 LYS 55 1HE LYS 55 -3.572 18.556 3.889 433 HE3 LYS 55 2HE LYS 55 -4.509 17.110 3.520 434 HZ1 LYS 55 1HZ LYS 55 -4.331 18.293 6.233 435 HZ2 LYS 55 2HZ LYS 55 -5.382 17.076 5.711 436 HZ3 LYS 55 3HZ LYS 55 -5.567 18.656 5.137 437 H ASP 56 H ASP 56 -1.872 15.877 8.194 438 HA ASP 56 HA ASP 56 -1.438 18.426 9.432 439 HB2 ASP 56 1HB ASP 56 -3.332 16.156 9.800 440 HB3 ASP 56 2HB ASP 56 -3.106 17.259 11.155 441 H ASP 57 H ASP 57 -0.579 15.103 10.134 442 HA ASP 57 HA ASP 57 0.240 15.498 12.814 443 HB2 ASP 57 1HB ASP 57 -0.192 13.298 11.410 444 HB3 ASP 57 2HB ASP 57 1.539 13.420 11.107 445 H GLY 58 H GLY 58 1.948 15.649 9.720 446 HA2 GLY 58 1HA GLY 58 3.909 16.722 9.165 447 HA3 GLY 58 2HA GLY 58 3.894 17.453 10.763 448 H ASN 59 H ASN 59 4.541 15.968 12.581 449 HA ASN 59 HA ASN 59 7.112 15.150 12.409 450 HB2 ASN 59 1HB ASN 59 4.850 14.294 14.158 451 HB3 ASN 59 2HB ASN 59 6.358 13.390 14.249 452 HD21 ASN 59 1HD2 ASN 59 5.521 16.822 13.896 453 HD22 ASN 59 2HD2 ASN 59 6.501 17.369 15.210 454 H GLN 60 H GLN 60 4.275 13.253 11.545 455 HA GLN 60 HA GLN 60 5.823 10.884 10.978 456 HB2 GLN 60 1HB GLN 60 2.936 11.509 10.336 457 HB3 GLN 60 2HB GLN 60 3.696 9.927 10.232 458 HG2 GLN 60 1HG GLN 60 4.121 10.015 12.664 459 HG3 GLN 60 2HG GLN 60 3.243 11.542 12.729 460 HE21 GLN 60 1HE2 GLN 60 1.081 11.213 11.274 461 HE22 GLN 60 2HE2 GLN 60 0.108 9.904 11.842 462 HA PRO 61 HA PRO 61 6.833 11.712 6.786 463 HB2 PRO 61 1HB PRO 61 6.850 9.192 5.777 464 HB3 PRO 61 2HB PRO 61 8.110 9.803 6.856 465 HG2 PRO 61 1HG PRO 61 5.742 8.085 7.491 466 HG3 PRO 61 2HG PRO 61 7.415 7.938 8.059 467 HD2 PRO 61 1HD PRO 61 5.455 9.037 9.569 468 HD3 PRO 61 2HD PRO 61 7.147 9.570 9.665 469 H GLN 62 H GLN 62 5.681 12.411 5.100 470 HA GLN 62 HA GLN 62 2.930 11.511 4.794 471 HB2 GLN 62 1HB GLN 62 4.425 13.724 3.378 472 HB3 GLN 62 2HB GLN 62 2.699 13.408 3.255 473 HG2 GLN 62 1HG GLN 62 4.256 14.482 5.572 474 HG3 GLN 62 2HG GLN 62 2.850 15.169 4.760 475 HE21 GLN 62 1HE2 GLN 62 3.796 13.841 7.537 476 HE22 GLN 62 2HE2 GLN 62 2.325 13.097 8.054 477 H ASP 63 H ASP 63 6.000 11.051 3.346 478 HA ASP 63 HA ASP 63 4.916 10.170 0.798 479 HB2 ASP 63 1HB ASP 63 7.106 10.108 0.015 480 HB3 ASP 63 2HB ASP 63 7.174 11.406 1.204 481 H GLN 64 H GLN 64 5.667 8.845 3.846 482 HA GLN 64 HA GLN 64 6.114 6.154 2.868 483 HB2 GLN 64 1HB GLN 64 5.968 7.388 5.608 484 HB3 GLN 64 2HB GLN 64 6.006 5.643 5.390 485 HG2 GLN 64 1HG GLN 64 8.086 7.293 4.053 486 HG3 GLN 64 2HG GLN 64 8.201 7.020 5.790 487 HE21 GLN 64 1HE2 GLN 64 8.001 5.421 2.668 488 HE22 GLN 64 2HE2 GLN 64 8.786 3.961 3.157 489 H ILE 65 H ILE 65 4.651 4.542 2.774 490 HA ILE 65 HA ILE 65 1.914 5.153 3.684 491 HB ILE 65 HB ILE 65 2.618 3.306 1.407 492 HG12 ILE 65 1HG1 ILE 65 1.797 6.217 1.316 493 HG13 ILE 65 2HG1 ILE 65 3.349 5.553 0.813 494 HG21 ILE 65 1HG2 ILE 65 0.455 2.809 1.368 495 HG22 ILE 65 2HG2 ILE 65 0.266 3.718 2.866 496 HG23 ILE 65 3HG2 ILE 65 0.016 4.516 1.314 497 HD11 ILE 65 1HD1 ILE 65 2.549 4.849 -1.166 498 HD12 ILE 65 2HD1 ILE 65 0.975 4.414 -0.501 499 HD13 ILE 65 3HD1 ILE 65 1.341 6.099 -0.872 500 H THR 66 H THR 66 1.314 3.957 5.352 501 HA THR 66 HA THR 66 2.713 1.544 6.064 502 HB THR 66 HB THR 66 0.171 2.336 7.417 503 HG1 THR 66 1HG THR 66 1.018 4.127 8.242 504 HG21 THR 66 1HG2 THR 66 2.679 0.909 8.059 505 HG22 THR 66 2HG2 THR 66 1.032 0.613 8.614 506 HG23 THR 66 3HG2 THR 66 1.994 1.896 9.349 507 H ILE 67 H ILE 67 1.958 -0.542 6.027 508 HA ILE 67 HA ILE 67 -0.725 -1.074 5.022 509 HB ILE 67 HB ILE 67 1.725 -2.182 3.648 510 HG12 ILE 67 1HG1 ILE 67 -0.369 -0.237 2.653 511 HG13 ILE 67 2HG1 ILE 67 1.289 0.175 3.077 512 HG21 ILE 67 1HG2 ILE 67 -1.058 -3.013 3.727 513 HG22 ILE 67 2HG2 ILE 67 -0.483 -2.714 2.088 514 HG23 ILE 67 3HG2 ILE 67 0.362 -3.866 3.121 515 HD11 ILE 67 1HD1 ILE 67 1.497 -0.010 0.825 516 HD12 ILE 67 2HD1 ILE 67 1.824 -1.683 1.280 517 HD13 ILE 67 3HD1 ILE 67 0.225 -1.224 0.693 518 H THR 68 H THR 68 -1.603 -2.678 6.145 519 HA THR 68 HA THR 68 0.185 -4.516 7.592 520 HB THR 68 HB THR 68 -2.720 -4.060 8.244 521 HG1 THR 68 1HG THR 68 -2.180 -2.182 9.036 522 HG21 THR 68 1HG2 THR 68 -1.644 -4.657 10.566 523 HG22 THR 68 2HG2 THR 68 -0.382 -5.370 9.560 524 HG23 THR 68 3HG2 THR 68 -2.049 -5.928 9.414 525 H GLY 69 H GLY 69 -0.265 -6.739 7.634 526 HA2 GLY 69 1HA GLY 69 -2.156 -8.356 6.910 527 HA3 GLY 69 2HA GLY 69 -1.850 -7.650 5.330 528 H TYR 70 H TYR 70 -1.569 -10.174 5.177 529 HA TYR 70 HA TYR 70 0.670 -11.490 6.109 530 HB2 TYR 70 1HB TYR 70 -1.039 -11.775 3.680 531 HB3 TYR 70 2HB TYR 70 0.468 -12.684 3.747 532 HD1 TYR 70 1HD TYR 70 -2.409 -11.923 6.021 533 HD2 TYR 70 2HD TYR 70 0.303 -14.841 4.527 534 HE1 TYR 70 1HE TYR 70 -3.517 -13.643 7.387 535 HE2 TYR 70 2HE TYR 70 -0.798 -16.569 5.888 536 HH TYR 70 HH TYR 70 -3.327 -16.772 6.911 537 H GLU 71 H GLU 71 2.778 -11.202 5.846 538 HA GLU 71 HA GLU 71 4.050 -9.172 4.620 539 HB2 GLU 71 1HB GLU 71 5.361 -10.581 5.973 540 HB3 GLU 71 2HB GLU 71 4.945 -12.012 5.039 541 HG2 GLU 71 1HG GLU 71 6.224 -11.030 3.128 542 HG3 GLU 71 2HG GLU 71 6.769 -9.765 4.227 543 H LYS 72 H LYS 72 2.652 -11.921 3.051 544 HA LYS 72 HA LYS 72 3.985 -11.405 0.524 545 HB2 LYS 72 1HB LYS 72 1.925 -13.421 1.408 546 HB3 LYS 72 2HB LYS 72 2.420 -13.259 -0.272 547 HG2 LYS 72 1HG LYS 72 4.826 -13.521 0.757 548 HG3 LYS 72 2HG LYS 72 3.934 -14.303 2.063 549 HD2 LYS 72 1HD LYS 72 3.517 -15.064 -0.812 550 HD3 LYS 72 2HD LYS 72 4.802 -15.783 0.161 551 HE2 LYS 72 1HE LYS 72 3.126 -16.528 1.794 552 HE3 LYS 72 2HE LYS 72 1.852 -15.830 0.794 553 HZ1 LYS 72 1HZ LYS 72 1.989 -17.496 -0.706 554 HZ2 LYS 72 2HZ LYS 72 2.565 -18.361 0.628 555 HZ3 LYS 72 3HZ LYS 72 3.652 -17.722 -0.499 556 H ASN 73 H ASN 73 0.578 -11.573 1.578 557 HA ASN 73 HA ASN 73 -0.606 -10.508 -0.668 558 HB2 ASN 73 1HB ASN 73 -1.355 -10.412 2.242 559 HB3 ASN 73 2HB ASN 73 -2.352 -9.607 1.033 560 HD21 ASN 73 1HD2 ASN 73 -3.422 -11.581 2.538 561 HD22 ASN 73 2HD2 ASN 73 -3.694 -12.989 1.576 562 H THR 74 H THR 74 0.971 -8.831 1.991 563 HA THR 74 HA THR 74 0.151 -6.224 1.479 564 HB THR 74 HB THR 74 2.243 -5.499 2.583 565 HG1 THR 74 1HG THR 74 2.890 -8.274 2.642 566 HG21 THR 74 1HG2 THR 74 1.678 -7.657 4.393 567 HG22 THR 74 2HG2 THR 74 0.182 -7.073 3.665 568 HG23 THR 74 3HG2 THR 74 1.243 -5.953 4.521 569 H GLU 75 H GLU 75 3.229 -7.706 0.435 570 HA GLU 75 HA GLU 75 4.232 -5.747 -1.149 571 HB2 GLU 75 1HB GLU 75 4.207 -8.673 -1.905 572 HB3 GLU 75 2HB GLU 75 5.360 -7.462 -2.450 573 HG2 GLU 75 1HG GLU 75 5.787 -7.181 0.125 574 HG3 GLU 75 2HG GLU 75 5.129 -8.814 0.185 575 H ALA 76 H ALA 76 2.084 -8.324 -2.368 576 HA ALA 76 HA ALA 76 1.733 -7.544 -4.943 577 HB1 ALA 76 1HB ALA 76 0.609 -9.441 -3.493 578 HB2 ALA 76 2HB ALA 76 -0.733 -8.297 -3.464 579 HB3 ALA 76 3HB ALA 76 -0.112 -8.888 -5.006 580 H ALA 77 H ALA 77 0.339 -6.046 -2.092 581 HA ALA 77 HA ALA 77 -1.347 -4.268 -3.622 582 HB1 ALA 77 1HB ALA 77 -1.338 -5.179 -1.001 583 HB2 ALA 77 2HB ALA 77 -0.922 -3.469 -0.875 584 HB3 ALA 77 3HB ALA 77 -2.407 -3.957 -1.691 585 H ARG 78 H ARG 78 1.663 -4.030 -1.767 586 HA ARG 78 HA ARG 78 2.005 -1.243 -2.079 587 HB2 ARG 78 1HB ARG 78 4.014 -1.518 -1.005 588 HB3 ARG 78 2HB ARG 78 3.205 -3.001 -0.518 589 HG2 ARG 78 1HG ARG 78 5.193 -3.873 -1.163 590 HG3 ARG 78 2HG ARG 78 4.362 -3.913 -2.719 591 HD2 ARG 78 1HD ARG 78 5.355 -1.508 -2.973 592 HD3 ARG 78 2HD ARG 78 6.497 -2.065 -1.750 593 HE ARG 78 HE ARG 78 6.180 -3.822 -4.025 594 HH11 ARG 78 1HH1 ARG 78 7.947 -1.174 -2.617 595 HH12 ARG 78 2HH1 ARG 78 9.353 -1.417 -3.601 596 HH21 ARG 78 1HH2 ARG 78 8.024 -4.153 -5.326 597 HH22 ARG 78 2HH2 ARG 78 9.395 -3.111 -5.142 598 H ASP 79 H ASP 79 2.562 -3.922 -4.180 599 HA ASP 79 HA ASP 79 4.513 -2.771 -5.871 600 HB2 ASP 79 1HB ASP 79 3.865 -5.212 -5.769 601 HB3 ASP 79 2HB ASP 79 2.417 -4.791 -6.680 602 H ALA 80 H ALA 80 1.024 -2.541 -5.734 603 HA ALA 80 HA ALA 80 0.633 -1.391 -8.294 604 HB1 ALA 80 1HB ALA 80 -1.518 -1.569 -7.760 605 HB2 ALA 80 2HB ALA 80 -0.999 -2.260 -6.222 606 HB3 ALA 80 3HB ALA 80 -1.322 -0.531 -6.346 607 H ILE 81 H ILE 81 0.566 0.135 -5.066 608 HA ILE 81 HA ILE 81 0.289 2.741 -5.647 609 HB ILE 81 HB ILE 81 2.356 1.646 -3.736 610 HG12 ILE 81 1HG1 ILE 81 -0.484 2.535 -3.199 611 HG13 ILE 81 2HG1 ILE 81 0.001 0.855 -3.401 612 HG21 ILE 81 1HG2 ILE 81 1.077 4.203 -3.121 613 HG22 ILE 81 2HG2 ILE 81 2.768 3.720 -2.997 614 HG23 ILE 81 3HG2 ILE 81 2.110 4.239 -4.549 615 HD11 ILE 81 1HD1 ILE 81 0.227 0.856 -1.188 616 HD12 ILE 81 2HD1 ILE 81 1.730 1.733 -1.478 617 HD13 ILE 81 3HD1 ILE 81 0.251 2.616 -1.098 618 H LEU 82 H LEU 82 3.234 0.865 -6.145 619 HA LEU 82 HA LEU 82 4.747 3.145 -7.043 620 HB2 LEU 82 1HB LEU 82 5.406 0.221 -7.342 621 HB3 LEU 82 2HB LEU 82 6.522 1.580 -7.470 622 HG LEU 82 HG LEU 82 5.097 0.756 -4.939 623 HD11 LEU 82 1HD1 LEU 82 6.574 -0.941 -5.016 624 HD12 LEU 82 2HD1 LEU 82 7.709 0.293 -4.474 625 HD13 LEU 82 3HD1 LEU 82 7.616 -0.128 -6.183 626 HD21 LEU 82 1HD2 LEU 82 5.758 2.716 -4.140 627 HD22 LEU 82 2HD2 LEU 82 6.477 3.132 -5.696 628 HD23 LEU 82 3HD2 LEU 82 7.434 2.280 -4.482 629 H ARG 83 H ARG 83 3.615 0.150 -8.622 630 HA ARG 83 HA ARG 83 4.317 0.530 -11.189 631 HB2 ARG 83 1HB ARG 83 2.702 -1.223 -10.035 632 HB3 ARG 83 2HB ARG 83 1.458 -0.197 -10.738 633 HG2 ARG 83 1HG ARG 83 2.366 -0.551 -12.950 634 HG3 ARG 83 2HG ARG 83 3.695 -1.498 -12.277 635 HD2 ARG 83 1HD ARG 83 2.373 -3.312 -11.856 636 HD3 ARG 83 2HD ARG 83 0.923 -2.336 -11.625 637 HE ARG 83 HE ARG 83 1.823 -3.520 -14.061 638 HH11 ARG 83 1HH1 ARG 83 0.088 -0.813 -12.725 639 HH12 ARG 83 2HH1 ARG 83 -0.855 -0.545 -14.154 640 HH21 ARG 83 1HH2 ARG 83 0.589 -3.177 -15.947 641 HH22 ARG 83 2HH2 ARG 83 -0.570 -1.890 -15.986 642 H ILE 84 H ILE 84 2.014 2.434 -9.425 643 HA ILE 84 HA ILE 84 0.938 3.727 -11.773 644 HB ILE 84 HB ILE 84 0.622 4.605 -8.906 645 HG12 ILE 84 1HG1 ILE 84 -1.361 2.892 -10.375 646 HG13 ILE 84 2HG1 ILE 84 -0.023 2.155 -9.501 647 HG21 ILE 84 1HG2 ILE 84 -0.002 6.152 -10.810 648 HG22 ILE 84 2HG2 ILE 84 -1.267 4.992 -11.211 649 HG23 ILE 84 3HG2 ILE 84 -1.275 5.800 -9.643 650 HD11 ILE 84 1HD1 ILE 84 -1.136 2.330 -7.603 651 HD12 ILE 84 2HD1 ILE 84 -1.293 4.074 -7.819 652 HD13 ILE 84 3HD1 ILE 84 -2.508 2.988 -8.495 653 H VAL 85 H VAL 85 2.740 4.909 -8.925 654 HA VAL 85 HA VAL 85 3.301 7.451 -9.637 655 HB VAL 85 HB VAL 85 5.248 5.493 -8.413 656 HG11 VAL 85 1HG1 VAL 85 5.708 8.128 -9.340 657 HG12 VAL 85 2HG1 VAL 85 5.702 8.174 -7.576 658 HG13 VAL 85 3HG1 VAL 85 6.795 7.083 -8.428 659 HG21 VAL 85 1HG2 VAL 85 3.633 7.590 -6.995 660 HG22 VAL 85 2HG2 VAL 85 2.999 5.971 -7.289 661 HG23 VAL 85 3HG2 VAL 85 4.455 6.185 -6.317 662 H GLY 86 H GLY 86 4.809 4.560 -10.964 663 HA2 GLY 86 1HA GLY 86 6.943 5.700 -12.335 664 HA3 GLY 86 2HA GLY 86 6.093 4.247 -12.840 665 H GLU 87 H GLU 87 3.564 5.374 -13.340 666 HA GLU 87 HA GLU 87 4.082 6.542 -15.926 667 HB2 GLU 87 1HB GLU 87 1.924 5.982 -16.467 668 HB3 GLU 87 2HB GLU 87 2.222 4.823 -15.179 669 HG2 GLU 87 1HG GLU 87 1.074 6.250 -13.593 670 HG3 GLU 87 2HG GLU 87 0.826 7.469 -14.842 671 H LEU 88 H LEU 88 2.505 7.547 -12.914 672 HA LEU 88 HA LEU 88 1.605 10.054 -13.751 673 HB2 LEU 88 1HB LEU 88 2.629 9.618 -10.979 674 HB3 LEU 88 2HB LEU 88 1.225 10.537 -11.517 675 HG LEU 88 HG LEU 88 1.476 7.539 -11.317 676 HD11 LEU 88 1HD1 LEU 88 -0.434 7.846 -9.745 677 HD12 LEU 88 2HD1 LEU 88 -0.172 9.586 -9.847 678 HD13 LEU 88 3HD1 LEU 88 1.087 8.542 -9.186 679 HD21 LEU 88 1HD2 LEU 88 -0.547 7.271 -12.378 680 HD22 LEU 88 2HD2 LEU 88 0.160 8.582 -13.321 681 HD23 LEU 88 3HD2 LEU 88 -1.046 8.936 -12.083 682 H GLU 89 H GLU 89 4.607 9.247 -12.000 683 HA GLU 89 HA GLU 89 5.804 11.643 -11.736 684 HB2 GLU 89 1HB GLU 89 6.691 9.168 -11.402 685 HB3 GLU 89 2HB GLU 89 7.489 9.493 -12.935 686 HG2 GLU 89 1HG GLU 89 8.211 11.701 -11.664 687 HG3 GLU 89 2HG GLU 89 7.968 10.665 -10.259 688 H GLN 90 H GLN 90 5.632 9.786 -14.743 689 HA GLN 90 HA GLN 90 7.168 11.640 -16.267 690 HB2 GLN 90 1HB GLN 90 6.809 9.203 -16.821 691 HB3 GLN 90 2HB GLN 90 5.179 9.630 -17.322 692 HG2 GLN 90 1HG GLN 90 5.886 10.712 -19.202 693 HG3 GLN 90 2HG GLN 90 7.451 11.129 -18.506 694 HE21 GLN 90 1HE2 GLN 90 6.482 9.710 -21.025 695 HE22 GLN 90 2HE2 GLN 90 7.459 8.286 -21.092 696 H MET 91 H MET 91 3.680 10.980 -16.026 697 HA MET 91 HA MET 91 2.582 12.634 -17.833 698 HB2 MET 91 1HB MET 91 1.799 12.074 -14.995 699 HB3 MET 91 2HB MET 91 0.858 13.208 -15.954 700 HG2 MET 91 1HG MET 91 1.437 10.378 -16.787 701 HG3 MET 91 2HG MET 91 -0.018 10.880 -15.928 702 HE1 MET 91 1HE MET 91 1.163 9.700 -18.910 703 HE2 MET 91 2HE MET 91 -0.570 9.398 -18.792 704 HE3 MET 91 3HE MET 91 0.077 10.307 -20.160 705 H SER 92 H SER 92 4.100 13.654 -14.819 706 HA SER 92 HA SER 92 3.693 16.462 -15.588 707 HB2 SER 92 1HB SER 92 4.047 17.049 -13.294 708 HB3 SER 92 2HB SER 92 2.935 15.680 -13.304 709 HG SER 92 HG SER 92 5.143 14.489 -13.150 710 H GLY 93 H GLY 93 5.366 16.496 -17.150 711 HA2 GLY 93 1HA GLY 93 8.027 16.770 -15.940 712 HA3 GLY 93 2HA GLY 93 7.843 15.716 -17.334 713 HA PRO 94 HA PRO 94 8.420 20.341 -18.452 714 HB2 PRO 94 1HB PRO 94 11.099 20.380 -18.891 715 HB3 PRO 94 2HB PRO 94 10.376 20.771 -17.326 716 HG2 PRO 94 1HG PRO 94 11.624 18.212 -18.249 717 HG3 PRO 94 2HG PRO 94 11.801 19.046 -16.694 718 HD2 PRO 94 1HD PRO 94 10.162 16.916 -17.026 719 HD3 PRO 94 2HD PRO 94 9.804 18.227 -15.885 720 H SER 95 H SER 95 9.645 17.288 -19.618 721 HA SER 95 HA SER 95 10.175 18.192 -22.287 722 HB2 SER 95 1HB SER 95 11.424 16.302 -21.615 723 HB3 SER 95 2HB SER 95 9.995 15.471 -21.002 724 HG SER 95 HG SER 95 10.706 14.668 -23.045 725 H SER 96 H SER 96 8.827 18.331 -23.967 726 HA SER 96 HA SER 96 6.048 18.231 -23.646 727 HB2 SER 96 1HB SER 96 7.301 19.523 -25.409 728 HB3 SER 96 2HB SER 96 7.531 18.004 -26.274 729 HG SER 96 HG SER 96 4.940 18.692 -25.493 730 H GLY 97 H GLY 97 8.266 15.916 -25.182 731 HA2 GLY 97 1HA GLY 97 6.080 13.929 -25.091 732 HA3 GLY 97 2HA GLY 97 7.301 13.962 -26.355 Start of MODEL 8 1 H1 GLY 1 H GLY 1 7.378 -25.872 3.064 2 HA2 GLY 1 1HA GLY 1 8.821 -27.125 1.264 3 HA3 GLY 1 2HA GLY 1 8.917 -25.501 0.600 4 H SER 2 H SER 2 9.022 -26.650 3.962 5 HA SER 2 HA SER 2 11.736 -25.522 4.167 6 HB2 SER 2 1HB SER 2 9.524 -25.310 6.225 7 HB3 SER 2 2HB SER 2 11.181 -24.748 6.446 8 HG SER 2 HG SER 2 10.775 -23.057 5.245 9 H SER 3 H SER 3 13.006 -26.400 5.970 10 HA SER 3 HA SER 3 12.669 -29.268 6.119 11 HB2 SER 3 1HB SER 3 14.823 -27.452 7.226 12 HB3 SER 3 2HB SER 3 14.866 -29.214 7.284 13 HG SER 3 HG SER 3 15.967 -28.057 5.461 14 H GLY 4 H GLY 4 13.231 -26.724 8.566 15 HA2 GLY 4 1HA GLY 4 12.284 -28.445 10.679 16 HA3 GLY 4 2HA GLY 4 12.805 -26.774 10.845 17 H SER 5 H SER 5 10.123 -28.815 9.771 18 HA SER 5 HA SER 5 8.253 -26.850 10.831 19 HB2 SER 5 1HB SER 5 8.487 -26.184 8.485 20 HB3 SER 5 2HB SER 5 8.119 -27.828 7.967 21 HG SER 5 HG SER 5 6.265 -26.538 7.865 22 H SER 6 H SER 6 6.448 -27.753 11.677 23 HA SER 6 HA SER 6 6.165 -30.671 11.376 24 HB2 SER 6 1HB SER 6 6.768 -29.639 13.672 25 HB3 SER 6 2HB SER 6 5.087 -29.106 13.711 26 HG SER 6 HG SER 6 4.877 -31.564 13.054 27 H GLY 7 H GLY 7 4.266 -27.722 12.020 28 HA2 GLY 7 1HA GLY 7 2.428 -27.768 10.085 29 HA3 GLY 7 2HA GLY 7 1.837 -29.053 11.127 30 H GLU 8 H GLU 8 3.192 -25.798 11.675 31 HA GLU 8 HA GLU 8 0.831 -25.226 13.344 32 HB2 GLU 8 1HB GLU 8 3.713 -24.426 13.720 33 HB3 GLU 8 2HB GLU 8 2.395 -23.614 14.555 34 HG2 GLU 8 1HG GLU 8 3.398 -25.284 15.981 35 HG3 GLU 8 2HG GLU 8 1.741 -25.734 15.582 36 H GLN 9 H GLN 9 -0.121 -23.209 13.180 37 HA GLN 9 HA GLN 9 0.605 -21.708 10.768 38 HB2 GLN 9 1HB GLN 9 -1.649 -20.763 10.888 39 HB3 GLN 9 2HB GLN 9 -1.701 -22.521 10.888 40 HG2 GLN 9 1HG GLN 9 -1.854 -22.356 13.422 41 HG3 GLN 9 2HG GLN 9 -2.185 -20.643 13.172 42 HE21 GLN 9 1HE2 GLN 9 -3.972 -22.393 14.400 43 HE22 GLN 9 2HE2 GLN 9 -5.370 -22.549 13.397 44 H GLU 10 H GLU 10 1.889 -20.022 11.101 45 HA GLU 10 HA GLU 10 1.735 -18.573 13.642 46 HB2 GLU 10 1HB GLU 10 3.937 -19.435 12.694 47 HB3 GLU 10 2HB GLU 10 3.785 -18.188 11.465 48 HG2 GLU 10 1HG GLU 10 5.162 -17.229 13.065 49 HG3 GLU 10 2HG GLU 10 3.574 -16.549 13.415 50 H ASP 11 H ASP 11 -0.402 -18.186 11.883 51 HA ASP 11 HA ASP 11 -0.094 -15.918 10.223 52 HB2 ASP 11 1HB ASP 11 -2.632 -16.845 11.580 53 HB3 ASP 11 2HB ASP 11 -2.503 -15.867 10.120 54 H ARG 12 H ARG 12 -1.350 -16.274 13.532 55 HA ARG 12 HA ARG 12 -2.175 -13.805 14.183 56 HB2 ARG 12 1HB ARG 12 -1.146 -14.170 16.465 57 HB3 ARG 12 2HB ARG 12 -2.169 -15.472 15.873 58 HG2 ARG 12 1HG ARG 12 -0.003 -16.561 15.063 59 HG3 ARG 12 2HG ARG 12 0.816 -15.394 16.102 60 HD2 ARG 12 1HD ARG 12 -1.425 -17.005 17.226 61 HD3 ARG 12 2HD ARG 12 0.143 -17.776 16.994 62 HE ARG 12 HE ARG 12 0.295 -15.269 18.386 63 HH11 ARG 12 1HH1 ARG 12 -0.241 -18.693 18.718 64 HH12 ARG 12 2HH1 ARG 12 0.241 -18.739 20.381 65 HH21 ARG 12 1HH2 ARG 12 0.932 -15.316 20.575 66 HH22 ARG 12 2HH2 ARG 12 0.908 -16.818 21.438 67 H ALA 13 H ALA 13 1.140 -14.730 13.560 68 HA ALA 13 HA ALA 13 2.135 -12.101 14.335 69 HB1 ALA 13 1HB ALA 13 3.994 -13.215 14.801 70 HB2 ALA 13 2HB ALA 13 3.250 -14.703 14.213 71 HB3 ALA 13 3HB ALA 13 4.158 -13.674 13.106 72 H LEU 14 H LEU 14 1.646 -14.068 11.451 73 HA LEU 14 HA LEU 14 2.979 -12.428 9.608 74 HB2 LEU 14 1HB LEU 14 0.622 -14.270 9.262 75 HB3 LEU 14 2HB LEU 14 1.473 -13.501 7.923 76 HG LEU 14 HG LEU 14 2.809 -15.360 9.882 77 HD11 LEU 14 1HD1 LEU 14 2.298 -16.355 7.184 78 HD12 LEU 14 2HD1 LEU 14 0.841 -16.128 8.151 79 HD13 LEU 14 3HD1 LEU 14 2.140 -17.162 8.745 80 HD21 LEU 14 1HD2 LEU 14 4.297 -15.542 7.730 81 HD22 LEU 14 2HD2 LEU 14 4.512 -14.208 8.864 82 HD23 LEU 14 3HD2 LEU 14 3.602 -13.962 7.373 83 H ARG 15 H ARG 15 -0.341 -12.368 10.814 84 HA ARG 15 HA ARG 15 -1.253 -10.331 9.060 85 HB2 ARG 15 1HB ARG 15 -3.226 -10.283 10.375 86 HB3 ARG 15 2HB ARG 15 -2.687 -11.957 10.368 87 HG2 ARG 15 1HG ARG 15 -1.730 -11.678 12.585 88 HG3 ARG 15 2HG ARG 15 -2.219 -9.982 12.592 89 HD2 ARG 15 1HD ARG 15 -4.585 -10.768 12.293 90 HD3 ARG 15 2HD ARG 15 -4.000 -12.410 12.561 91 HE ARG 15 HE ARG 15 -3.746 -11.933 14.802 92 HH11 ARG 15 1HH1 ARG 15 -4.424 -9.015 13.030 93 HH12 ARG 15 2HH1 ARG 15 -4.703 -8.062 14.449 94 HH21 ARG 15 1HH2 ARG 15 -4.110 -10.689 16.679 95 HH22 ARG 15 2HH2 ARG 15 -4.522 -9.015 16.524 96 H SER 16 H SER 16 0.793 -10.275 11.756 97 HA SER 16 HA SER 16 0.197 -7.483 12.390 98 HB2 SER 16 1HB SER 16 0.627 -9.352 14.146 99 HB3 SER 16 2HB SER 16 2.327 -9.121 13.739 100 HG SER 16 HG SER 16 1.484 -7.820 15.527 101 H PHE 17 H PHE 17 1.384 -8.213 9.843 102 HA PHE 17 HA PHE 17 4.128 -7.223 10.084 103 HB2 PHE 17 1HB PHE 17 4.146 -9.074 8.675 104 HB3 PHE 17 2HB PHE 17 2.602 -8.656 7.940 105 HD1 PHE 17 2HD PHE 17 2.488 -6.835 6.264 106 HD2 PHE 17 1HD PHE 17 6.189 -8.280 7.789 107 HE1 PHE 17 2HE PHE 17 3.669 -5.796 4.373 108 HE2 PHE 17 1HE PHE 17 7.377 -7.242 5.901 109 HZ PHE 17 HZ PHE 17 6.116 -5.999 4.188 110 H LYS 18 H LYS 18 4.473 -5.120 9.902 111 HA LYS 18 HA LYS 18 2.566 -3.493 8.365 112 HB2 LYS 18 1HB LYS 18 2.783 -2.844 10.706 113 HB3 LYS 18 2HB LYS 18 4.525 -2.690 10.524 114 HG2 LYS 18 1HG LYS 18 4.333 -0.767 9.207 115 HG3 LYS 18 2HG LYS 18 2.623 -1.055 8.882 116 HD2 LYS 18 1HD LYS 18 3.641 -0.554 11.663 117 HD3 LYS 18 2HD LYS 18 3.222 0.771 10.574 118 HE2 LYS 18 1HE LYS 18 1.233 0.472 11.682 119 HE3 LYS 18 2HE LYS 18 0.996 -0.578 10.285 120 HZ1 LYS 18 1HZ LYS 18 2.263 -2.024 12.343 121 HZ2 LYS 18 2HZ LYS 18 0.754 -2.300 11.632 122 HZ3 LYS 18 3HZ LYS 18 0.883 -1.275 12.972 123 H LEU 19 H LEU 19 3.196 -2.818 6.432 124 HA LEU 19 HA LEU 19 6.079 -2.654 5.864 125 HB2 LEU 19 1HB LEU 19 5.084 -4.211 4.407 126 HB3 LEU 19 2HB LEU 19 3.692 -3.169 4.117 127 HG LEU 19 HG LEU 19 5.379 -1.587 2.983 128 HD11 LEU 19 1HD1 LEU 19 7.497 -2.208 2.766 129 HD12 LEU 19 2HD1 LEU 19 7.030 -3.781 2.124 130 HD13 LEU 19 3HD1 LEU 19 7.162 -3.545 3.866 131 HD21 LEU 19 1HD2 LEU 19 5.151 -2.787 0.866 132 HD22 LEU 19 2HD2 LEU 19 3.652 -2.833 1.794 133 HD23 LEU 19 3HD2 LEU 19 4.699 -4.252 1.741 134 H SER 20 H SER 20 6.904 -0.873 4.715 135 HA SER 20 HA SER 20 5.147 1.491 4.658 136 HB2 SER 20 1HB SER 20 6.718 2.819 5.698 137 HB3 SER 20 2HB SER 20 7.053 1.280 6.490 138 HG SER 20 HG SER 20 8.994 1.512 5.742 139 H VAL 21 H VAL 21 4.880 2.189 2.653 140 HA VAL 21 HA VAL 21 6.833 1.515 0.598 141 HB VAL 21 HB VAL 21 4.300 3.045 0.098 142 HG11 VAL 21 1HG1 VAL 21 6.140 2.600 -1.639 143 HG12 VAL 21 2HG1 VAL 21 5.557 0.935 -1.622 144 HG13 VAL 21 3HG1 VAL 21 4.472 2.247 -2.085 145 HG21 VAL 21 1HG2 VAL 21 3.338 0.684 -0.364 146 HG22 VAL 21 2HG2 VAL 21 4.598 0.136 0.742 147 HG23 VAL 21 3HG2 VAL 21 3.378 1.284 1.295 148 H THR 22 H THR 22 8.334 2.888 -0.078 149 HA THR 22 HA THR 22 8.311 5.630 0.862 150 HB THR 22 HB THR 22 10.394 4.328 -0.893 151 HG1 THR 22 1HG THR 22 10.623 4.544 1.913 152 HG21 THR 22 1HG2 THR 22 11.462 6.179 0.964 153 HG22 THR 22 2HG2 THR 22 10.066 6.945 0.204 154 HG23 THR 22 3HG2 THR 22 11.382 6.321 -0.792 155 H VAL 23 H VAL 23 6.645 6.586 -0.328 156 HA VAL 23 HA VAL 23 7.355 7.160 -3.118 157 HB VAL 23 HB VAL 23 4.568 6.442 -2.196 158 HG11 VAL 23 1HG1 VAL 23 4.460 8.167 -3.863 159 HG12 VAL 23 2HG1 VAL 23 5.618 7.313 -4.885 160 HG13 VAL 23 3HG1 VAL 23 4.011 6.636 -4.612 161 HG21 VAL 23 1HG2 VAL 23 6.280 4.983 -4.193 162 HG22 VAL 23 2HG2 VAL 23 6.220 4.551 -2.485 163 HG23 VAL 23 3HG2 VAL 23 4.760 4.456 -3.471 164 H ASP 24 H ASP 24 7.211 9.257 -3.632 165 HA ASP 24 HA ASP 24 7.046 11.303 -1.874 166 HB2 ASP 24 1HB ASP 24 7.442 11.239 -4.495 167 HB3 ASP 24 2HB ASP 24 5.761 11.764 -4.529 168 HA PRO 25 HA PRO 25 2.908 11.528 -0.383 169 HB2 PRO 25 1HB PRO 25 2.925 14.099 0.491 170 HB3 PRO 25 2HB PRO 25 3.762 12.791 1.336 171 HG2 PRO 25 1HG PRO 25 4.866 14.842 -0.543 172 HG3 PRO 25 2HG PRO 25 5.538 14.249 0.987 173 HD2 PRO 25 1HD PRO 25 6.413 13.379 -1.424 174 HD3 PRO 25 2HD PRO 25 6.394 12.341 0.016 175 H LYS 26 H LYS 26 4.012 13.071 -3.119 176 HA LYS 26 HA LYS 26 1.719 14.755 -3.598 177 HB2 LYS 26 1HB LYS 26 2.833 15.521 -5.458 178 HB3 LYS 26 2HB LYS 26 4.191 14.983 -4.480 179 HG2 LYS 26 1HG LYS 26 4.374 12.953 -5.735 180 HG3 LYS 26 2HG LYS 26 2.888 13.313 -6.618 181 HD2 LYS 26 1HD LYS 26 5.228 15.189 -6.695 182 HD3 LYS 26 2HD LYS 26 5.151 13.786 -7.763 183 HE2 LYS 26 1HE LYS 26 2.799 14.666 -8.366 184 HE3 LYS 26 2HE LYS 26 3.351 16.181 -7.653 185 HZ1 LYS 26 1HZ LYS 26 3.833 16.354 -9.917 186 HZ2 LYS 26 2HZ LYS 26 4.426 14.774 -10.021 187 HZ3 LYS 26 3HZ LYS 26 5.320 15.961 -9.211 188 H TYR 27 H TYR 27 2.843 11.569 -4.568 189 HA TYR 27 HA TYR 27 0.663 11.187 -6.427 190 HB2 TYR 27 1HB TYR 27 2.664 9.173 -5.385 191 HB3 TYR 27 2HB TYR 27 1.604 8.969 -6.775 192 HD1 TYR 27 2HD TYR 27 1.918 11.670 -8.028 193 HD2 TYR 27 1HD TYR 27 4.793 9.013 -6.361 194 HE1 TYR 27 2HE TYR 27 3.646 12.631 -9.491 195 HE2 TYR 27 1HE TYR 27 6.529 9.968 -7.819 196 HH TYR 27 HH TYR 27 5.993 12.831 -9.682 197 H HIS 28 H HIS 28 1.171 10.811 -3.087 198 HA HIS 28 HA HIS 28 -0.274 8.606 -2.342 199 HB2 HIS 28 1HB HIS 28 0.262 11.248 -1.112 200 HB3 HIS 28 2HB HIS 28 -1.071 10.327 -0.422 201 HD2 HIS 28 2HD HIS 28 1.947 8.225 -1.600 202 HE1 HIS 28 1HE HIS 28 2.156 8.541 2.626 203 HE2 HIS 28 2HE HIS 28 3.151 7.484 0.566 204 HA PRO 29 HA PRO 29 -4.402 11.102 -2.487 205 HB2 PRO 29 1HB PRO 29 -4.343 13.557 -3.646 206 HB3 PRO 29 2HB PRO 29 -4.043 13.301 -1.923 207 HG2 PRO 29 1HG PRO 29 -2.080 13.688 -4.149 208 HG3 PRO 29 2HG PRO 29 -2.076 14.386 -2.519 209 HD2 PRO 29 1HD PRO 29 -0.538 12.265 -3.200 210 HD3 PRO 29 2HD PRO 29 -1.203 12.477 -1.568 211 H LYS 30 H LYS 30 -2.162 10.710 -4.976 212 HA LYS 30 HA LYS 30 -4.120 11.023 -7.118 213 HB2 LYS 30 1HB LYS 30 -1.170 10.373 -7.149 214 HB3 LYS 30 2HB LYS 30 -2.170 10.446 -8.595 215 HG2 LYS 30 1HG LYS 30 -1.966 12.771 -6.715 216 HG3 LYS 30 2HG LYS 30 -0.777 12.499 -7.992 217 HD2 LYS 30 1HD LYS 30 -2.342 12.824 -9.687 218 HD3 LYS 30 2HD LYS 30 -3.710 12.530 -8.610 219 HE2 LYS 30 1HE LYS 30 -3.539 14.893 -9.169 220 HE3 LYS 30 2HE LYS 30 -3.246 14.634 -7.450 221 HZ1 LYS 30 1HZ LYS 30 -1.134 15.001 -9.505 222 HZ2 LYS 30 2HZ LYS 30 -0.883 14.814 -7.843 223 HZ3 LYS 30 3HZ LYS 30 -1.665 16.194 -8.430 224 H ILE 31 H ILE 31 -2.738 8.589 -5.139 225 HA ILE 31 HA ILE 31 -3.344 6.418 -6.961 226 HB ILE 31 HB ILE 31 -2.440 6.325 -4.080 227 HG12 ILE 31 1HG1 ILE 31 -0.696 5.602 -6.395 228 HG13 ILE 31 2HG1 ILE 31 -0.947 7.308 -6.038 229 HG21 ILE 31 1HG2 ILE 31 -1.692 3.974 -5.292 230 HG22 ILE 31 2HG2 ILE 31 -3.068 4.188 -4.212 231 HG23 ILE 31 3HG2 ILE 31 -3.297 4.273 -5.958 232 HD11 ILE 31 1HD1 ILE 31 -0.140 5.471 -3.840 233 HD12 ILE 31 2HD1 ILE 31 1.064 6.016 -5.008 234 HD13 ILE 31 3HD1 ILE 31 0.173 7.194 -4.045 235 H ILE 32 H ILE 32 -4.655 7.832 -4.009 236 HA ILE 32 HA ILE 32 -6.526 5.935 -3.295 237 HB ILE 32 HB ILE 32 -6.736 8.942 -3.155 238 HG12 ILE 32 1HG1 ILE 32 -6.192 6.963 -0.942 239 HG13 ILE 32 2HG1 ILE 32 -4.906 7.708 -1.883 240 HG21 ILE 32 1HG2 ILE 32 -8.472 8.458 -1.384 241 HG22 ILE 32 2HG2 ILE 32 -8.967 8.170 -3.052 242 HG23 ILE 32 3HG2 ILE 32 -8.527 6.812 -2.016 243 HD11 ILE 32 1HD1 ILE 32 -6.836 9.596 -0.755 244 HD12 ILE 32 2HD1 ILE 32 -5.899 8.691 0.433 245 HD13 ILE 32 3HD1 ILE 32 -5.074 9.651 -0.794 246 H GLY 33 H GLY 33 -7.142 8.770 -5.383 247 HA2 GLY 33 1HA GLY 33 -8.278 8.381 -7.525 248 HA3 GLY 33 2HA GLY 33 -9.260 7.183 -6.696 249 H ARG 34 H ARG 34 -10.729 8.852 -8.013 250 HA ARG 34 HA ARG 34 -11.316 11.354 -6.920 251 HB2 ARG 34 1HB ARG 34 -13.044 9.393 -8.429 252 HB3 ARG 34 2HB ARG 34 -13.584 11.008 -7.991 253 HG2 ARG 34 1HG ARG 34 -11.485 11.826 -9.220 254 HG3 ARG 34 2HG ARG 34 -11.437 10.204 -9.914 255 HD2 ARG 34 1HD ARG 34 -13.383 10.507 -11.101 256 HD3 ARG 34 2HD ARG 34 -13.994 11.732 -9.990 257 HE ARG 34 HE ARG 34 -12.936 13.336 -11.232 258 HH11 ARG 34 1HH1 ARG 34 -11.666 10.209 -12.086 259 HH12 ARG 34 2HH1 ARG 34 -10.739 10.805 -13.422 260 HH21 ARG 34 1HH2 ARG 34 -11.719 14.134 -12.990 261 HH22 ARG 34 2HH2 ARG 34 -10.770 13.038 -13.935 262 H LYS 35 H LYS 35 -13.244 8.377 -6.505 263 HA LYS 35 HA LYS 35 -14.313 9.478 -4.013 264 HB2 LYS 35 1HB LYS 35 -16.044 7.823 -4.181 265 HB3 LYS 35 2HB LYS 35 -15.868 8.589 -5.754 266 HG2 LYS 35 1HG LYS 35 -14.376 6.624 -6.367 267 HG3 LYS 35 2HG LYS 35 -14.988 5.850 -4.905 268 HD2 LYS 35 1HD LYS 35 -17.093 5.591 -5.759 269 HD3 LYS 35 2HD LYS 35 -16.965 7.013 -6.796 270 HE2 LYS 35 1HE LYS 35 -15.182 5.597 -8.056 271 HE3 LYS 35 2HE LYS 35 -15.957 4.233 -7.251 272 HZ1 LYS 35 1HZ LYS 35 -17.296 6.200 -9.029 273 HZ2 LYS 35 2HZ LYS 35 -18.070 4.929 -8.226 274 HZ3 LYS 35 3HZ LYS 35 -16.920 4.598 -9.420 275 H GLY 36 H GLY 36 -11.813 7.533 -4.989 276 HA2 GLY 36 1HA GLY 36 -10.282 6.486 -3.552 277 HA3 GLY 36 2HA GLY 36 -11.509 6.472 -2.293 278 H ALA 37 H ALA 37 -12.430 5.349 -5.414 279 HA ALA 37 HA ALA 37 -12.913 2.708 -4.363 280 HB1 ALA 37 1HB ALA 37 -13.331 3.700 -7.178 281 HB2 ALA 37 2HB ALA 37 -14.046 2.271 -6.430 282 HB3 ALA 37 3HB ALA 37 -14.505 3.881 -5.874 283 H VAL 38 H VAL 38 -10.497 4.266 -6.280 284 HA VAL 38 HA VAL 38 -9.469 2.037 -7.661 285 HB VAL 38 HB VAL 38 -7.992 4.502 -6.726 286 HG11 VAL 38 1HG1 VAL 38 -6.443 3.978 -8.575 287 HG12 VAL 38 2HG1 VAL 38 -6.452 2.734 -7.325 288 HG13 VAL 38 3HG1 VAL 38 -7.308 2.465 -8.844 289 HG21 VAL 38 1HG2 VAL 38 -8.903 5.654 -8.411 290 HG22 VAL 38 2HG2 VAL 38 -8.721 4.313 -9.543 291 HG23 VAL 38 3HG2 VAL 38 -10.117 4.374 -8.467 292 H ILE 39 H ILE 39 -8.380 3.566 -4.630 293 HA ILE 39 HA ILE 39 -6.385 1.659 -4.057 294 HB ILE 39 HB ILE 39 -6.450 3.881 -3.001 295 HG12 ILE 39 1HG1 ILE 39 -6.084 3.035 -0.595 296 HG13 ILE 39 2HG1 ILE 39 -6.459 1.439 -1.235 297 HG21 ILE 39 1HG2 ILE 39 -8.890 3.995 -2.685 298 HG22 ILE 39 2HG2 ILE 39 -8.762 2.795 -1.399 299 HG23 ILE 39 3HG2 ILE 39 -8.001 4.375 -1.210 300 HD11 ILE 39 1HD1 ILE 39 -4.135 1.562 -1.269 301 HD12 ILE 39 2HD1 ILE 39 -4.609 1.892 -2.935 302 HD13 ILE 39 3HD1 ILE 39 -4.138 3.219 -1.872 303 H THR 40 H THR 40 -9.777 1.906 -3.088 304 HA THR 40 HA THR 40 -9.867 -0.168 -1.236 305 HB THR 40 HB THR 40 -12.073 0.563 -3.170 306 HG1 THR 40 1HG THR 40 -12.663 2.093 -1.622 307 HG21 THR 40 1HG2 THR 40 -13.291 -0.051 -0.846 308 HG22 THR 40 2HG2 THR 40 -11.898 -1.129 -0.755 309 HG23 THR 40 3HG2 THR 40 -12.999 -1.223 -2.129 310 H GLN 41 H GLN 41 -10.341 -0.271 -4.755 311 HA GLN 41 HA GLN 41 -10.948 -3.003 -4.945 312 HB2 GLN 41 1HB GLN 41 -11.321 -1.375 -6.763 313 HB3 GLN 41 2HB GLN 41 -9.582 -1.245 -6.991 314 HG2 GLN 41 1HG GLN 41 -10.584 -2.693 -8.660 315 HG3 GLN 41 2HG GLN 41 -9.473 -3.588 -7.625 316 HE21 GLN 41 1HE2 GLN 41 -10.178 -5.486 -6.994 317 HE22 GLN 41 2HE2 GLN 41 -11.828 -5.952 -6.796 318 H ILE 42 H ILE 42 -7.918 -1.311 -4.642 319 HA ILE 42 HA ILE 42 -6.294 -3.565 -5.391 320 HB ILE 42 HB ILE 42 -5.545 -0.987 -4.008 321 HG12 ILE 42 1HG1 ILE 42 -4.911 -1.749 -6.845 322 HG13 ILE 42 2HG1 ILE 42 -6.454 -1.008 -6.439 323 HG21 ILE 42 1HG2 ILE 42 -3.326 -2.092 -5.314 324 HG22 ILE 42 2HG2 ILE 42 -3.584 -1.930 -3.577 325 HG23 ILE 42 3HG2 ILE 42 -4.063 -3.411 -4.404 326 HD11 ILE 42 1HD1 ILE 42 -5.517 0.987 -6.512 327 HD12 ILE 42 2HD1 ILE 42 -4.391 0.521 -5.237 328 HD13 ILE 42 3HD1 ILE 42 -3.973 0.243 -6.928 329 H ARG 43 H ARG 43 -7.524 -2.175 -2.417 330 HA ARG 43 HA ARG 43 -5.877 -3.640 -0.635 331 HB2 ARG 43 1HB ARG 43 -8.510 -2.216 -0.335 332 HB3 ARG 43 2HB ARG 43 -7.802 -3.117 0.999 333 HG2 ARG 43 1HG ARG 43 -5.958 -1.679 1.139 334 HG3 ARG 43 2HG ARG 43 -6.279 -0.979 -0.449 335 HD2 ARG 43 1HD ARG 43 -6.945 0.609 1.208 336 HD3 ARG 43 2HD ARG 43 -8.402 -0.051 0.467 337 HE ARG 43 HE ARG 43 -7.733 -1.521 2.786 338 HH11 ARG 43 1HH1 ARG 43 -9.038 1.545 1.776 339 HH12 ARG 43 2HH1 ARG 43 -9.974 1.769 3.216 340 HH21 ARG 43 1HH2 ARG 43 -8.960 -1.238 4.687 341 HH22 ARG 43 2HH2 ARG 43 -9.927 0.186 4.873 342 H LEU 44 H LEU 44 -9.245 -4.140 -1.690 343 HA LEU 44 HA LEU 44 -9.623 -6.571 -0.325 344 HB2 LEU 44 1HB LEU 44 -10.955 -5.424 -2.768 345 HB3 LEU 44 2HB LEU 44 -11.484 -6.910 -1.983 346 HG LEU 44 HG LEU 44 -11.306 -4.416 -0.359 347 HD11 LEU 44 1HD1 LEU 44 -13.139 -4.876 -2.625 348 HD12 LEU 44 2HD1 LEU 44 -12.597 -3.370 -1.886 349 HD13 LEU 44 3HD1 LEU 44 -13.874 -4.316 -1.123 350 HD21 LEU 44 1HD2 LEU 44 -13.143 -6.808 -0.382 351 HD22 LEU 44 2HD2 LEU 44 -13.245 -5.458 0.749 352 HD23 LEU 44 3HD2 LEU 44 -11.824 -6.504 0.748 353 H GLU 45 H GLU 45 -8.564 -5.867 -3.631 354 HA GLU 45 HA GLU 45 -8.520 -8.396 -4.711 355 HB2 GLU 45 1HB GLU 45 -7.960 -6.295 -5.922 356 HB3 GLU 45 2HB GLU 45 -6.399 -6.281 -5.115 357 HG2 GLU 45 1HG GLU 45 -6.047 -7.168 -7.271 358 HG3 GLU 45 2HG GLU 45 -5.953 -8.522 -6.145 359 H HIS 46 H HIS 46 -6.270 -6.947 -2.444 360 HA HIS 46 HA HIS 46 -4.718 -9.448 -2.411 361 HB2 HIS 46 1HB HIS 46 -3.943 -6.711 -1.382 362 HB3 HIS 46 2HB HIS 46 -2.921 -8.145 -1.359 363 HD1 HIS 46 1HD HIS 46 -2.523 -9.173 -3.917 364 HD2 HIS 46 2HD HIS 46 -3.519 -5.156 -3.549 365 HE1 HIS 46 1HE HIS 46 -1.820 -8.104 -6.082 366 H ASP 47 H ASP 47 -7.170 -7.964 -0.815 367 HA ASP 47 HA ASP 47 -8.140 -8.207 1.228 368 HB2 ASP 47 1HB ASP 47 -6.333 -10.568 1.700 369 HB3 ASP 47 2HB ASP 47 -7.980 -10.317 2.271 370 H VAL 48 H VAL 48 -5.915 -6.461 1.060 371 HA VAL 48 HA VAL 48 -4.805 -6.723 3.780 372 HB VAL 48 HB VAL 48 -2.856 -5.405 3.000 373 HG11 VAL 48 1HG1 VAL 48 -2.212 -7.378 1.232 374 HG12 VAL 48 2HG1 VAL 48 -2.105 -7.519 2.987 375 HG13 VAL 48 3HG1 VAL 48 -3.529 -8.121 2.139 376 HG21 VAL 48 1HG2 VAL 48 -4.300 -5.615 0.383 377 HG22 VAL 48 2HG2 VAL 48 -3.586 -4.196 1.149 378 HG23 VAL 48 3HG2 VAL 48 -2.547 -5.432 0.440 379 H ASN 49 H ASN 49 -4.004 -4.485 4.578 380 HA ASN 49 HA ASN 49 -6.130 -2.524 4.018 381 HB2 ASN 49 1HB ASN 49 -5.935 -3.650 6.352 382 HB3 ASN 49 2HB ASN 49 -4.554 -2.581 6.576 383 HD21 ASN 49 1HD2 ASN 49 -5.590 -1.487 8.244 384 HD22 ASN 49 2HD2 ASN 49 -6.875 -0.371 7.948 385 H ILE 50 H ILE 50 -5.442 -0.820 2.920 386 HA ILE 50 HA ILE 50 -2.639 0.026 3.226 387 HB ILE 50 HB ILE 50 -4.577 0.500 0.960 388 HG12 ILE 50 1HG1 ILE 50 -1.904 -0.861 0.787 389 HG13 ILE 50 2HG1 ILE 50 -3.328 -1.757 1.303 390 HG21 ILE 50 1HG2 ILE 50 -2.050 1.294 0.141 391 HG22 ILE 50 2HG2 ILE 50 -3.414 2.344 0.520 392 HG23 ILE 50 3HG2 ILE 50 -2.218 1.971 1.760 393 HD11 ILE 50 1HD1 ILE 50 -4.238 -0.549 -0.951 394 HD12 ILE 50 2HD1 ILE 50 -2.545 -0.835 -1.354 395 HD13 ILE 50 3HD1 ILE 50 -3.575 -2.182 -0.871 396 H GLN 51 H GLN 51 -2.312 1.770 4.423 397 HA GLN 51 HA GLN 51 -4.396 3.852 4.477 398 HB2 GLN 51 1HB GLN 51 -2.863 2.573 6.681 399 HB3 GLN 51 2HB GLN 51 -3.188 4.296 6.819 400 HG2 GLN 51 1HG GLN 51 -5.282 2.178 6.392 401 HG3 GLN 51 2HG GLN 51 -4.867 2.895 7.947 402 HE21 GLN 51 1HE2 GLN 51 -7.372 2.893 6.362 403 HE22 GLN 51 2HE2 GLN 51 -7.802 4.559 6.195 404 H PHE 52 H PHE 52 -3.664 6.028 4.744 405 HA PHE 52 HA PHE 52 -0.857 6.428 3.941 406 HB2 PHE 52 1HB PHE 52 -3.290 8.015 3.094 407 HB3 PHE 52 2HB PHE 52 -1.627 8.439 2.700 408 HD1 PHE 52 2HD PHE 52 -4.306 5.978 2.140 409 HD2 PHE 52 1HD PHE 52 -0.458 7.350 0.949 410 HE1 PHE 52 2HE PHE 52 -4.428 4.563 0.131 411 HE2 PHE 52 1HE PHE 52 -0.574 5.938 -1.063 412 HZ PHE 52 HZ PHE 52 -2.559 4.542 -1.473 413 HA PRO 53 HA PRO 53 -0.355 9.023 7.447 414 HB2 PRO 53 1HB PRO 53 1.548 10.728 6.531 415 HB3 PRO 53 2HB PRO 53 1.887 9.044 6.946 416 HG2 PRO 53 1HG PRO 53 1.408 10.273 4.259 417 HG3 PRO 53 2HG PRO 53 2.622 9.074 4.740 418 HD2 PRO 53 1HD PRO 53 0.336 8.398 3.457 419 HD3 PRO 53 2HD PRO 53 1.121 7.328 4.634 420 H ASP 54 H ASP 54 -0.487 11.279 8.180 421 HA ASP 54 HA ASP 54 -2.180 12.904 6.398 422 HB2 ASP 54 1HB ASP 54 -3.118 11.860 8.619 423 HB3 ASP 54 2HB ASP 54 -2.264 13.201 9.376 424 H LYS 55 H LYS 55 -1.319 14.758 5.765 425 HA LYS 55 HA LYS 55 1.185 15.693 6.503 426 HB2 LYS 55 1HB LYS 55 0.557 17.794 5.384 427 HB3 LYS 55 2HB LYS 55 0.092 16.384 4.441 428 HG2 LYS 55 1HG LYS 55 -2.203 16.688 5.638 429 HG3 LYS 55 2HG LYS 55 -1.622 18.333 5.908 430 HD2 LYS 55 1HD LYS 55 -1.288 18.623 3.512 431 HD3 LYS 55 2HD LYS 55 -1.813 16.962 3.224 432 HE2 LYS 55 1HE LYS 55 -3.973 17.684 4.444 433 HE3 LYS 55 2HE LYS 55 -3.422 19.327 4.119 434 HZ1 LYS 55 1HZ LYS 55 -4.757 17.588 2.392 435 HZ2 LYS 55 2HZ LYS 55 -3.204 17.819 1.764 436 HZ3 LYS 55 3HZ LYS 55 -4.198 19.153 2.069 437 H ASP 56 H ASP 56 -1.998 16.564 7.761 438 HA ASP 56 HA ASP 56 -1.358 18.744 9.323 439 HB2 ASP 56 1HB ASP 56 -3.654 17.844 8.974 440 HB3 ASP 56 2HB ASP 56 -3.274 16.532 10.087 441 H ASP 57 H ASP 57 -0.992 15.309 10.080 442 HA ASP 57 HA ASP 57 -0.254 15.522 12.755 443 HB2 ASP 57 1HB ASP 57 -0.656 13.434 11.185 444 HB3 ASP 57 2HB ASP 57 1.096 13.500 11.019 445 H GLY 58 H GLY 58 2.001 15.053 10.023 446 HA2 GLY 58 1HA GLY 58 3.967 16.295 9.631 447 HA3 GLY 58 2HA GLY 58 3.836 16.971 11.247 448 H ASN 59 H ASN 59 4.259 15.453 13.064 449 HA ASN 59 HA ASN 59 6.749 14.440 13.110 450 HB2 ASN 59 1HB ASN 59 4.395 13.164 14.523 451 HB3 ASN 59 2HB ASN 59 6.088 13.017 14.988 452 HD21 ASN 59 1HD2 ASN 59 7.151 15.329 15.106 453 HD22 ASN 59 2HD2 ASN 59 6.277 16.452 16.085 454 H GLN 60 H GLN 60 3.936 12.862 11.759 455 HA GLN 60 HA GLN 60 5.372 10.381 11.296 456 HB2 GLN 60 1HB GLN 60 2.586 11.225 10.477 457 HB3 GLN 60 2HB GLN 60 3.258 9.612 10.285 458 HG2 GLN 60 1HG GLN 60 3.409 9.337 12.668 459 HG3 GLN 60 2HG GLN 60 2.894 11.002 12.927 460 HE21 GLN 60 1HE2 GLN 60 0.789 11.347 11.369 461 HE22 GLN 60 2HE2 GLN 60 -0.480 10.239 11.752 462 HA PRO 61 HA PRO 61 6.800 11.311 7.249 463 HB2 PRO 61 1HB PRO 61 6.764 8.837 6.134 464 HB3 PRO 61 2HB PRO 61 7.955 9.327 7.345 465 HG2 PRO 61 1HG PRO 61 5.445 7.732 7.692 466 HG3 PRO 61 2HG PRO 61 7.049 7.462 8.398 467 HD2 PRO 61 1HD PRO 61 5.028 8.618 9.779 468 HD3 PRO 61 2HD PRO 61 6.730 9.043 10.045 469 H GLN 62 H GLN 62 5.942 12.002 5.371 470 HA GLN 62 HA GLN 62 3.146 11.349 4.833 471 HB2 GLN 62 1HB GLN 62 4.902 13.470 3.584 472 HB3 GLN 62 2HB GLN 62 3.167 13.289 3.350 473 HG2 GLN 62 1HG GLN 62 4.554 13.971 5.933 474 HG3 GLN 62 2HG GLN 62 3.648 15.080 4.905 475 HE21 GLN 62 1HE2 GLN 62 3.444 13.595 7.704 476 HE22 GLN 62 2HE2 GLN 62 1.750 13.267 7.797 477 H ASP 63 H ASP 63 6.328 10.855 3.573 478 HA ASP 63 HA ASP 63 5.367 9.984 0.973 479 HB2 ASP 63 1HB ASP 63 7.632 9.824 0.328 480 HB3 ASP 63 2HB ASP 63 7.561 11.237 1.379 481 H GLN 64 H GLN 64 5.566 8.647 3.995 482 HA GLN 64 HA GLN 64 6.162 5.949 3.021 483 HB2 GLN 64 1HB GLN 64 5.861 7.034 5.825 484 HB3 GLN 64 2HB GLN 64 6.165 5.343 5.445 485 HG2 GLN 64 1HG GLN 64 8.018 7.385 4.345 486 HG3 GLN 64 2HG GLN 64 8.112 7.004 6.064 487 HE21 GLN 64 1HE2 GLN 64 8.087 5.506 2.863 488 HE22 GLN 64 2HE2 GLN 64 9.133 4.194 3.274 489 H ILE 65 H ILE 65 4.626 4.456 2.746 490 HA ILE 65 HA ILE 65 1.889 5.144 3.579 491 HB ILE 65 HB ILE 65 2.784 3.240 1.412 492 HG12 ILE 65 1HG1 ILE 65 1.511 5.980 1.224 493 HG13 ILE 65 2HG1 ILE 65 3.192 5.606 0.856 494 HG21 ILE 65 1HG2 ILE 65 0.707 2.458 1.323 495 HG22 ILE 65 2HG2 ILE 65 0.381 3.316 2.828 496 HG23 ILE 65 3HG2 ILE 65 0.037 4.089 1.280 497 HD11 ILE 65 1HD1 ILE 65 2.468 4.166 -0.975 498 HD12 ILE 65 2HD1 ILE 65 0.785 4.544 -0.605 499 HD13 ILE 65 3HD1 ILE 65 1.872 5.814 -1.167 500 H THR 66 H THR 66 1.049 4.035 5.205 501 HA THR 66 HA THR 66 2.365 1.671 6.213 502 HB THR 66 HB THR 66 0.218 1.809 7.791 503 HG1 THR 66 1HG THR 66 -0.476 3.960 7.968 504 HG21 THR 66 1HG2 THR 66 2.600 3.663 7.898 505 HG22 THR 66 2HG2 THR 66 2.486 2.044 8.588 506 HG23 THR 66 3HG2 THR 66 1.507 3.354 9.247 507 H ILE 67 H ILE 67 1.851 -0.361 5.739 508 HA ILE 67 HA ILE 67 -0.870 -0.970 4.820 509 HB ILE 67 HB ILE 67 1.639 -1.999 3.491 510 HG12 ILE 67 1HG1 ILE 67 -0.506 -0.185 2.371 511 HG13 ILE 67 2HG1 ILE 67 1.045 0.382 2.979 512 HG21 ILE 67 1HG2 ILE 67 -0.995 -3.062 3.622 513 HG22 ILE 67 2HG2 ILE 67 -0.702 -2.501 1.978 514 HG23 ILE 67 3HG2 ILE 67 0.395 -3.666 2.720 515 HD11 ILE 67 1HD1 ILE 67 2.049 -1.261 1.263 516 HD12 ILE 67 2HD1 ILE 67 0.447 -1.209 0.528 517 HD13 ILE 67 3HD1 ILE 67 1.386 0.273 0.703 518 H THR 68 H THR 68 -1.715 -2.498 6.057 519 HA THR 68 HA THR 68 0.082 -4.334 7.481 520 HB THR 68 HB THR 68 -2.845 -3.885 8.064 521 HG1 THR 68 1HG THR 68 -1.795 -2.590 9.864 522 HG21 THR 68 1HG2 THR 68 -2.184 -4.739 10.301 523 HG22 THR 68 2HG2 THR 68 -0.566 -5.047 9.669 524 HG23 THR 68 3HG2 THR 68 -1.951 -5.920 9.013 525 H GLY 69 H GLY 69 -0.468 -6.579 7.645 526 HA2 GLY 69 1HA GLY 69 -2.265 -8.221 6.836 527 HA3 GLY 69 2HA GLY 69 -1.911 -7.531 5.259 528 H TYR 70 H TYR 70 -1.643 -10.146 5.371 529 HA TYR 70 HA TYR 70 0.580 -11.391 6.326 530 HB2 TYR 70 1HB TYR 70 -0.671 -11.739 3.594 531 HB3 TYR 70 2HB TYR 70 0.466 -12.869 4.323 532 HD1 TYR 70 2HD TYR 70 -0.475 -12.980 7.102 533 HD2 TYR 70 1HD TYR 70 -2.689 -12.889 3.471 534 HE1 TYR 70 2HE TYR 70 -2.335 -14.142 8.215 535 HE2 TYR 70 1HE TYR 70 -4.557 -14.049 4.573 536 HH TYR 70 HH TYR 70 -4.417 -14.892 8.020 537 H GLU 71 H GLU 71 2.696 -11.110 6.143 538 HA GLU 71 HA GLU 71 4.010 -9.088 4.938 539 HB2 GLU 71 1HB GLU 71 5.270 -10.456 6.377 540 HB3 GLU 71 2HB GLU 71 4.901 -11.911 5.460 541 HG2 GLU 71 1HG GLU 71 6.257 -10.972 3.584 542 HG3 GLU 71 2HG GLU 71 6.746 -9.673 4.672 543 H LYS 72 H LYS 72 2.716 -11.891 3.368 544 HA LYS 72 HA LYS 72 4.156 -11.420 0.895 545 HB2 LYS 72 1HB LYS 72 1.988 -13.391 1.634 546 HB3 LYS 72 2HB LYS 72 2.743 -13.312 0.048 547 HG2 LYS 72 1HG LYS 72 4.419 -13.655 2.498 548 HG3 LYS 72 2HG LYS 72 3.589 -15.035 1.774 549 HD2 LYS 72 1HD LYS 72 4.800 -14.865 -0.219 550 HD3 LYS 72 2HD LYS 72 5.298 -13.205 0.120 551 HE2 LYS 72 1HE LYS 72 6.215 -15.671 1.597 552 HE3 LYS 72 2HE LYS 72 7.153 -14.769 0.408 553 HZ1 LYS 72 1HZ LYS 72 6.585 -12.815 2.072 554 HZ2 LYS 72 2HZ LYS 72 7.934 -13.813 2.290 555 HZ3 LYS 72 3HZ LYS 72 6.521 -14.095 3.176 556 H ASN 73 H ASN 73 0.707 -11.544 1.810 557 HA ASN 73 HA ASN 73 -0.393 -10.559 -0.506 558 HB2 ASN 73 1HB ASN 73 -1.232 -10.257 2.372 559 HB3 ASN 73 2HB ASN 73 -2.196 -9.589 1.058 560 HD21 ASN 73 1HD2 ASN 73 -3.845 -11.036 1.859 561 HD22 ASN 73 2HD2 ASN 73 -3.842 -12.688 1.352 562 H THR 74 H THR 74 1.122 -8.776 2.122 563 HA THR 74 HA THR 74 0.357 -6.186 1.447 564 HB THR 74 HB THR 74 2.502 -5.467 2.549 565 HG1 THR 74 1HG THR 74 2.865 -8.242 3.054 566 HG21 THR 74 1HG2 THR 74 1.602 -7.346 4.535 567 HG22 THR 74 2HG2 THR 74 0.227 -6.686 3.650 568 HG23 THR 74 3HG2 THR 74 1.360 -5.602 4.458 569 H GLU 75 H GLU 75 3.536 -7.632 0.704 570 HA GLU 75 HA GLU 75 4.591 -5.803 -0.962 571 HB2 GLU 75 1HB GLU 75 4.613 -8.757 -1.601 572 HB3 GLU 75 2HB GLU 75 5.814 -7.564 -2.076 573 HG2 GLU 75 1HG GLU 75 6.003 -7.223 0.530 574 HG3 GLU 75 2HG GLU 75 5.367 -8.867 0.551 575 H ALA 76 H ALA 76 2.412 -8.397 -2.077 576 HA ALA 76 HA ALA 76 2.224 -7.773 -4.735 577 HB1 ALA 76 1HB ALA 76 0.496 -9.117 -2.789 578 HB2 ALA 76 2HB ALA 76 -0.349 -8.472 -4.196 579 HB3 ALA 76 3HB ALA 76 0.980 -9.611 -4.412 580 H ALA 77 H ALA 77 0.581 -6.208 -2.037 581 HA ALA 77 HA ALA 77 -0.972 -4.484 -3.750 582 HB1 ALA 77 1HB ALA 77 -0.737 -3.655 -0.967 583 HB2 ALA 77 2HB ALA 77 -2.170 -4.053 -1.916 584 HB3 ALA 77 3HB ALA 77 -1.233 -5.338 -1.153 585 H ARG 78 H ARG 78 1.704 -4.004 -1.443 586 HA ARG 78 HA ARG 78 2.102 -1.293 -1.815 587 HB2 ARG 78 1HB ARG 78 4.072 -1.554 -0.666 588 HB3 ARG 78 2HB ARG 78 3.271 -3.061 -0.243 589 HG2 ARG 78 1HG ARG 78 5.306 -3.879 -0.823 590 HG3 ARG 78 2HG ARG 78 4.532 -3.913 -2.408 591 HD2 ARG 78 1HD ARG 78 5.482 -1.533 -2.679 592 HD3 ARG 78 2HD ARG 78 6.528 -1.956 -1.324 593 HE ARG 78 HE ARG 78 6.527 -3.837 -3.522 594 HH11 ARG 78 1HH1 ARG 78 8.016 -1.043 -2.074 595 HH12 ARG 78 2HH1 ARG 78 9.525 -1.259 -2.898 596 HH21 ARG 78 1HH2 ARG 78 8.508 -4.131 -4.613 597 HH22 ARG 78 2HH2 ARG 78 9.803 -3.015 -4.343 598 H ASP 79 H ASP 79 2.886 -3.938 -3.914 599 HA ASP 79 HA ASP 79 4.825 -2.632 -5.514 600 HB2 ASP 79 1HB ASP 79 4.358 -5.127 -5.411 601 HB3 ASP 79 2HB ASP 79 2.957 -4.818 -6.434 602 H ALA 80 H ALA 80 1.348 -2.601 -5.457 603 HA ALA 80 HA ALA 80 0.948 -1.552 -8.070 604 HB1 ALA 80 1HB ALA 80 -1.020 -0.942 -5.944 605 HB2 ALA 80 2HB ALA 80 -1.266 -1.568 -7.575 606 HB3 ALA 80 3HB ALA 80 -0.708 -2.643 -6.292 607 H ILE 81 H ILE 81 0.820 -0.003 -4.857 608 HA ILE 81 HA ILE 81 0.342 2.581 -5.500 609 HB ILE 81 HB ILE 81 2.420 1.650 -3.517 610 HG12 ILE 81 1HG1 ILE 81 -0.467 2.394 -3.031 611 HG13 ILE 81 2HG1 ILE 81 0.079 0.736 -3.263 612 HG21 ILE 81 1HG2 ILE 81 2.810 3.778 -3.028 613 HG22 ILE 81 2HG2 ILE 81 1.779 4.256 -4.376 614 HG23 ILE 81 3HG2 ILE 81 1.089 4.061 -2.764 615 HD11 ILE 81 1HD1 ILE 81 0.329 2.505 -0.935 616 HD12 ILE 81 2HD1 ILE 81 0.198 0.747 -1.027 617 HD13 ILE 81 3HD1 ILE 81 1.752 1.532 -1.307 618 H LEU 82 H LEU 82 3.394 0.871 -5.913 619 HA LEU 82 HA LEU 82 4.829 3.211 -6.764 620 HB2 LEU 82 1HB LEU 82 5.611 0.336 -7.173 621 HB3 LEU 82 2HB LEU 82 6.668 1.747 -7.161 622 HG LEU 82 HG LEU 82 5.157 0.774 -4.742 623 HD11 LEU 82 1HD1 LEU 82 8.086 0.360 -5.153 624 HD12 LEU 82 2HD1 LEU 82 6.928 -0.805 -5.797 625 HD13 LEU 82 3HD1 LEU 82 6.975 -0.473 -4.065 626 HD21 LEU 82 1HD2 LEU 82 7.619 2.278 -4.382 627 HD22 LEU 82 2HD2 LEU 82 6.030 2.517 -3.656 628 HD23 LEU 82 3HD2 LEU 82 6.383 3.189 -5.249 629 H ARG 83 H ARG 83 3.523 0.326 -8.378 630 HA ARG 83 HA ARG 83 4.330 0.751 -10.956 631 HB2 ARG 83 1HB ARG 83 3.152 -1.225 -10.628 632 HB3 ARG 83 2HB ARG 83 1.832 -0.418 -9.791 633 HG2 ARG 83 1HG ARG 83 0.797 0.211 -11.735 634 HG3 ARG 83 2HG ARG 83 2.297 0.197 -12.665 635 HD2 ARG 83 1HD ARG 83 1.273 -2.365 -11.541 636 HD3 ARG 83 2HD ARG 83 0.488 -1.689 -12.967 637 HE ARG 83 HE ARG 83 3.103 -1.629 -13.631 638 HH11 ARG 83 1HH1 ARG 83 1.019 -4.129 -12.394 639 HH12 ARG 83 2HH1 ARG 83 1.882 -5.414 -13.174 640 HH21 ARG 83 1HH2 ARG 83 4.247 -3.312 -14.662 641 HH22 ARG 83 2HH2 ARG 83 3.718 -4.948 -14.463 642 H ILE 84 H ILE 84 1.191 1.864 -9.668 643 HA ILE 84 HA ILE 84 0.350 3.377 -11.791 644 HB ILE 84 HB ILE 84 0.001 4.097 -8.878 645 HG12 ILE 84 1HG1 ILE 84 -2.040 2.659 -10.532 646 HG13 ILE 84 2HG1 ILE 84 -0.705 1.749 -9.831 647 HG21 ILE 84 1HG2 ILE 84 -1.709 5.527 -9.477 648 HG22 ILE 84 2HG2 ILE 84 -0.539 5.796 -10.768 649 HG23 ILE 84 3HG2 ILE 84 -1.939 4.761 -11.049 650 HD11 ILE 84 1HD1 ILE 84 -2.122 1.524 -8.110 651 HD12 ILE 84 2HD1 ILE 84 -1.535 3.128 -7.674 652 HD13 ILE 84 3HD1 ILE 84 -3.054 2.955 -8.551 653 H VAL 85 H VAL 85 2.233 4.591 -9.012 654 HA VAL 85 HA VAL 85 2.580 7.195 -9.639 655 HB VAL 85 HB VAL 85 4.684 5.283 -8.628 656 HG11 VAL 85 1HG1 VAL 85 4.799 8.196 -9.179 657 HG12 VAL 85 2HG1 VAL 85 5.555 7.612 -7.695 658 HG13 VAL 85 3HG1 VAL 85 6.070 6.977 -9.258 659 HG21 VAL 85 1HG2 VAL 85 2.367 6.293 -7.452 660 HG22 VAL 85 2HG2 VAL 85 3.708 5.486 -6.639 661 HG23 VAL 85 3HG2 VAL 85 3.684 7.245 -6.765 662 H GLY 86 H GLY 86 4.894 4.701 -10.737 663 HA2 GLY 86 1HA GLY 86 6.529 6.048 -12.366 664 HA3 GLY 86 2HA GLY 86 5.888 4.480 -12.830 665 H GLU 87 H GLU 87 3.203 5.187 -13.233 666 HA GLU 87 HA GLU 87 3.392 6.322 -15.855 667 HB2 GLU 87 1HB GLU 87 0.743 5.948 -14.556 668 HB3 GLU 87 2HB GLU 87 1.260 5.551 -16.189 669 HG2 GLU 87 1HG GLU 87 2.736 3.778 -14.888 670 HG3 GLU 87 2HG GLU 87 1.449 3.963 -13.698 671 H LEU 88 H LEU 88 1.848 7.326 -12.815 672 HA LEU 88 HA LEU 88 0.636 9.654 -13.591 673 HB2 LEU 88 1HB LEU 88 2.211 9.409 -11.041 674 HB3 LEU 88 2HB LEU 88 0.779 10.394 -11.337 675 HG LEU 88 HG LEU 88 0.852 7.380 -11.197 676 HD11 LEU 88 1HD1 LEU 88 -0.032 7.516 -9.068 677 HD12 LEU 88 2HD1 LEU 88 -0.570 9.181 -9.282 678 HD13 LEU 88 3HD1 LEU 88 1.145 8.829 -9.066 679 HD21 LEU 88 1HD2 LEU 88 -1.495 7.414 -11.466 680 HD22 LEU 88 2HD2 LEU 88 -0.842 8.426 -12.755 681 HD23 LEU 88 3HD2 LEU 88 -1.561 9.171 -11.326 682 H GLU 89 H GLU 89 4.018 9.300 -12.534 683 HA GLU 89 HA GLU 89 4.852 11.912 -12.711 684 HB2 GLU 89 1HB GLU 89 6.119 9.660 -12.121 685 HB3 GLU 89 2HB GLU 89 6.664 9.798 -13.786 686 HG2 GLU 89 1HG GLU 89 6.996 11.927 -11.687 687 HG3 GLU 89 2HG GLU 89 8.237 10.769 -12.162 688 H GLN 90 H GLN 90 4.987 9.496 -15.331 689 HA GLN 90 HA GLN 90 5.941 11.172 -17.332 690 HB2 GLN 90 1HB GLN 90 5.480 8.585 -17.282 691 HB3 GLN 90 2HB GLN 90 3.938 9.049 -17.986 692 HG2 GLN 90 1HG GLN 90 5.360 8.513 -19.783 693 HG3 GLN 90 2HG GLN 90 5.233 10.272 -19.757 694 HE21 GLN 90 1HE2 GLN 90 7.269 9.133 -21.110 695 HE22 GLN 90 2HE2 GLN 90 8.764 9.391 -20.284 696 H MET 91 H MET 91 2.590 10.464 -16.402 697 HA MET 91 HA MET 91 1.232 11.832 -18.367 698 HB2 MET 91 1HB MET 91 0.642 11.318 -15.475 699 HB3 MET 91 2HB MET 91 -0.448 12.318 -16.424 700 HG2 MET 91 1HG MET 91 0.343 9.679 -17.523 701 HG3 MET 91 2HG MET 91 -0.793 9.719 -16.177 702 HE1 MET 91 1HE MET 91 -0.246 9.762 -19.783 703 HE2 MET 91 2HE MET 91 -1.568 10.661 -20.528 704 HE3 MET 91 3HE MET 91 -0.227 11.527 -19.776 705 H SER 92 H SER 92 0.730 13.923 -18.802 706 HA SER 92 HA SER 92 2.370 15.952 -17.590 707 HB2 SER 92 1HB SER 92 0.197 16.213 -19.684 708 HB3 SER 92 2HB SER 92 1.372 17.455 -19.253 709 HG SER 92 HG SER 92 1.764 15.934 -21.148 710 H GLY 93 H GLY 93 1.599 15.989 -15.435 711 HA2 GLY 93 1HA GLY 93 -1.132 16.466 -14.788 712 HA3 GLY 93 2HA GLY 93 0.238 16.647 -13.701 713 HA PRO 94 HA PRO 94 -1.485 20.794 -15.472 714 HB2 PRO 94 1HB PRO 94 -3.527 21.327 -13.763 715 HB3 PRO 94 2HB PRO 94 -3.756 20.484 -15.299 716 HG2 PRO 94 1HG PRO 94 -3.523 19.356 -12.536 717 HG3 PRO 94 2HG PRO 94 -4.642 18.909 -13.837 718 HD2 PRO 94 1HD PRO 94 -2.421 17.470 -13.266 719 HD3 PRO 94 2HD PRO 94 -3.072 17.610 -14.912 720 H SER 95 H SER 95 -1.799 22.861 -14.064 721 HA SER 95 HA SER 95 0.208 22.732 -11.930 722 HB2 SER 95 1HB SER 95 0.447 25.155 -12.256 723 HB3 SER 95 2HB SER 95 0.664 24.292 -13.778 724 HG SER 95 HG SER 95 -1.783 24.755 -13.894 725 H SER 96 H SER 96 -1.075 22.041 -10.219 726 HA SER 96 HA SER 96 -3.580 23.032 -9.510 727 HB2 SER 96 1HB SER 96 -1.371 21.855 -7.818 728 HB3 SER 96 2HB SER 96 -2.972 22.234 -7.183 729 HG SER 96 HG SER 96 -2.416 20.004 -8.129 730 H GLY 97 H GLY 97 -0.390 23.983 -8.220 731 HA2 GLY 97 1HA GLY 97 -0.203 26.543 -8.204 732 HA3 GLY 97 2HA GLY 97 -1.638 26.447 -7.195 Start of MODEL 9 1 H1 GLY 1 H GLY 1 14.939 -39.838 7.496 2 HA2 GLY 1 1HA GLY 1 16.186 -37.959 6.063 3 HA3 GLY 1 2HA GLY 1 14.531 -37.753 5.510 4 H SER 2 H SER 2 16.729 -36.528 7.554 5 HA SER 2 HA SER 2 15.140 -36.152 9.910 6 HB2 SER 2 1HB SER 2 17.702 -34.866 8.948 7 HB3 SER 2 2HB SER 2 16.945 -34.479 10.494 8 HG SER 2 HG SER 2 18.627 -36.177 10.472 9 H SER 3 H SER 3 13.431 -34.869 10.001 10 HA SER 3 HA SER 3 13.563 -32.211 8.802 11 HB2 SER 3 1HB SER 3 12.415 -33.953 7.240 12 HB3 SER 3 2HB SER 3 11.071 -33.836 8.375 13 HG SER 3 HG SER 3 11.297 -31.472 8.006 14 H GLY 4 H GLY 4 12.688 -30.689 10.076 15 HA2 GLY 4 1HA GLY 4 10.609 -31.381 11.990 16 HA3 GLY 4 2HA GLY 4 12.146 -30.884 12.681 17 H SER 5 H SER 5 9.192 -29.856 11.354 18 HA SER 5 HA SER 5 10.027 -27.191 10.668 19 HB2 SER 5 1HB SER 5 7.668 -26.757 10.275 20 HB3 SER 5 2HB SER 5 8.096 -28.316 9.571 21 HG SER 5 HG SER 5 6.635 -29.168 10.799 22 H SER 6 H SER 6 8.962 -25.277 11.697 23 HA SER 6 HA SER 6 8.527 -25.640 14.579 24 HB2 SER 6 1HB SER 6 10.914 -24.905 14.012 25 HB3 SER 6 2HB SER 6 10.203 -23.375 13.499 26 HG SER 6 HG SER 6 9.568 -24.418 16.026 27 H GLY 7 H GLY 7 6.510 -24.967 14.911 28 HA2 GLY 7 1HA GLY 7 4.739 -23.498 15.067 29 HA3 GLY 7 2HA GLY 7 5.764 -22.264 14.347 30 H GLU 8 H GLU 8 3.839 -25.137 13.552 31 HA GLU 8 HA GLU 8 3.806 -24.930 10.800 32 HB2 GLU 8 1HB GLU 8 1.876 -25.993 12.813 33 HB3 GLU 8 2HB GLU 8 1.348 -25.853 11.142 34 HG2 GLU 8 1HG GLU 8 3.829 -27.321 11.994 35 HG3 GLU 8 2HG GLU 8 2.255 -28.085 11.779 36 H GLN 9 H GLN 9 1.431 -23.520 13.056 37 HA GLN 9 HA GLN 9 0.610 -21.679 10.916 38 HB2 GLN 9 1HB GLN 9 -0.822 -22.690 13.367 39 HB3 GLN 9 2HB GLN 9 -1.396 -21.300 12.456 40 HG2 GLN 9 1HG GLN 9 -1.955 -22.567 10.612 41 HG3 GLN 9 2HG GLN 9 -0.861 -23.878 11.053 42 HE21 GLN 9 1HE2 GLN 9 -1.535 -25.443 12.468 43 HE22 GLN 9 2HE2 GLN 9 -3.172 -25.598 12.996 44 H GLU 10 H GLU 10 1.602 -19.779 11.033 45 HA GLU 10 HA GLU 10 1.839 -18.493 13.667 46 HB2 GLU 10 1HB GLU 10 4.000 -17.520 12.945 47 HB3 GLU 10 2HB GLU 10 4.051 -19.272 13.081 48 HG2 GLU 10 1HG GLU 10 4.218 -19.584 10.814 49 HG3 GLU 10 2HG GLU 10 3.459 -18.039 10.437 50 H ASP 11 H ASP 11 -0.314 -18.025 12.087 51 HA ASP 11 HA ASP 11 0.030 -15.864 10.273 52 HB2 ASP 11 1HB ASP 11 -2.499 -16.599 11.753 53 HB3 ASP 11 2HB ASP 11 -2.368 -15.732 10.226 54 H ARG 12 H ARG 12 -0.891 -16.069 13.684 55 HA ARG 12 HA ARG 12 -1.687 -13.552 14.279 56 HB2 ARG 12 1HB ARG 12 -0.676 -13.840 16.505 57 HB3 ARG 12 2HB ARG 12 -1.497 -15.298 15.966 58 HG2 ARG 12 1HG ARG 12 0.613 -16.323 15.394 59 HG3 ARG 12 2HG ARG 12 1.473 -14.838 15.804 60 HD2 ARG 12 1HD ARG 12 1.760 -16.025 17.741 61 HD3 ARG 12 2HD ARG 12 0.267 -15.166 18.116 62 HE ARG 12 HE ARG 12 -0.570 -17.505 16.999 63 HH11 ARG 12 1HH1 ARG 12 1.516 -16.671 19.659 64 HH12 ARG 12 2HH1 ARG 12 1.145 -18.100 20.566 65 HH21 ARG 12 1HH2 ARG 12 -1.064 -19.390 18.184 66 HH22 ARG 12 2HH2 ARG 12 -0.321 -19.647 19.726 67 H ALA 13 H ALA 13 1.495 -14.527 13.294 68 HA ALA 13 HA ALA 13 2.648 -11.936 13.976 69 HB1 ALA 13 1HB ALA 13 3.760 -14.328 14.150 70 HB2 ALA 13 2HB ALA 13 4.192 -13.983 12.474 71 HB3 ALA 13 3HB ALA 13 4.707 -12.891 13.761 72 H LEU 14 H LEU 14 1.920 -13.905 11.124 73 HA LEU 14 HA LEU 14 2.995 -12.205 9.182 74 HB2 LEU 14 1HB LEU 14 0.562 -13.961 8.904 75 HB3 LEU 14 2HB LEU 14 1.582 -13.360 7.599 76 HG LEU 14 HG LEU 14 2.805 -15.079 9.706 77 HD11 LEU 14 1HD1 LEU 14 1.581 -16.865 9.245 78 HD12 LEU 14 2HD1 LEU 14 1.973 -16.709 7.533 79 HD13 LEU 14 3HD1 LEU 14 0.556 -15.892 8.191 80 HD21 LEU 14 1HD2 LEU 14 3.250 -15.011 6.732 81 HD22 LEU 14 2HD2 LEU 14 4.308 -15.668 7.980 82 HD23 LEU 14 3HD2 LEU 14 4.075 -13.925 7.850 83 H ARG 15 H ARG 15 -0.317 -12.383 10.470 84 HA ARG 15 HA ARG 15 -1.396 -10.313 8.915 85 HB2 ARG 15 1HB ARG 15 -3.208 -10.258 10.536 86 HB3 ARG 15 2HB ARG 15 -2.759 -11.923 10.189 87 HG2 ARG 15 1HG ARG 15 -1.656 -12.156 12.268 88 HG3 ARG 15 2HG ARG 15 -1.730 -10.420 12.579 89 HD2 ARG 15 1HD ARG 15 -4.253 -11.972 12.186 90 HD3 ARG 15 2HD ARG 15 -3.421 -12.034 13.739 91 HE ARG 15 HE ARG 15 -3.717 -9.353 12.954 92 HH11 ARG 15 1HH1 ARG 15 -5.614 -12.060 14.044 93 HH12 ARG 15 2HH1 ARG 15 -6.835 -11.076 14.779 94 HH21 ARG 15 1HH2 ARG 15 -5.318 -8.046 13.919 95 HH22 ARG 15 2HH2 ARG 15 -6.667 -8.792 14.707 96 H SER 16 H SER 16 0.675 -10.254 11.669 97 HA SER 16 HA SER 16 0.104 -7.457 12.254 98 HB2 SER 16 1HB SER 16 0.560 -9.242 14.037 99 HB3 SER 16 2HB SER 16 2.250 -9.142 13.541 100 HG SER 16 HG SER 16 0.844 -6.795 14.172 101 H PHE 17 H PHE 17 1.450 -8.536 9.740 102 HA PHE 17 HA PHE 17 4.119 -7.440 9.880 103 HB2 PHE 17 1HB PHE 17 4.027 -9.262 8.430 104 HB3 PHE 17 2HB PHE 17 2.480 -8.768 7.749 105 HD1 PHE 17 2HD PHE 17 2.407 -6.825 6.176 106 HD2 PHE 17 1HD PHE 17 6.059 -8.595 7.459 107 HE1 PHE 17 2HE PHE 17 3.575 -5.780 4.280 108 HE2 PHE 17 1HE PHE 17 7.233 -7.552 5.565 109 HZ PHE 17 HZ PHE 17 5.992 -6.143 3.971 110 H LYS 18 H LYS 18 4.582 -5.365 9.643 111 HA LYS 18 HA LYS 18 2.659 -3.643 8.227 112 HB2 LYS 18 1HB LYS 18 3.238 -3.271 10.726 113 HB3 LYS 18 2HB LYS 18 4.762 -2.632 10.121 114 HG2 LYS 18 1HG LYS 18 3.131 -1.201 8.602 115 HG3 LYS 18 2HG LYS 18 2.025 -1.511 9.941 116 HD2 LYS 18 1HD LYS 18 3.015 0.418 10.679 117 HD3 LYS 18 2HD LYS 18 4.109 -0.777 11.383 118 HE2 LYS 18 1HE LYS 18 5.617 -0.510 9.469 119 HE3 LYS 18 2HE LYS 18 4.527 0.692 8.781 120 HZ1 LYS 18 1HZ LYS 18 6.586 1.374 10.241 121 HZ2 LYS 18 2HZ LYS 18 5.490 1.131 11.505 122 HZ3 LYS 18 3HZ LYS 18 5.141 2.254 10.289 123 H LEU 19 H LEU 19 3.273 -2.931 6.302 124 HA LEU 19 HA LEU 19 6.150 -2.818 5.693 125 HB2 LEU 19 1HB LEU 19 5.110 -4.347 4.234 126 HB3 LEU 19 2HB LEU 19 3.736 -3.276 3.968 127 HG LEU 19 HG LEU 19 5.449 -1.716 2.835 128 HD11 LEU 19 1HD1 LEU 19 7.435 -2.936 3.639 129 HD12 LEU 19 2HD1 LEU 19 7.383 -2.801 1.883 130 HD13 LEU 19 3HD1 LEU 19 6.953 -4.323 2.662 131 HD21 LEU 19 1HD2 LEU 19 3.773 -3.742 1.912 132 HD22 LEU 19 2HD2 LEU 19 5.292 -3.973 1.045 133 HD23 LEU 19 3HD2 LEU 19 4.463 -2.417 0.972 134 H SER 20 H SER 20 6.986 -1.035 4.555 135 HA SER 20 HA SER 20 5.270 1.361 4.594 136 HB2 SER 20 1HB SER 20 6.932 2.640 5.552 137 HB3 SER 20 2HB SER 20 7.279 1.082 6.303 138 HG SER 20 HG SER 20 9.152 2.081 5.414 139 H VAL 21 H VAL 21 4.878 2.050 2.607 140 HA VAL 21 HA VAL 21 6.742 1.416 0.450 141 HB VAL 21 HB VAL 21 4.068 2.778 0.169 142 HG11 VAL 21 1HG1 VAL 21 5.625 1.082 -1.777 143 HG12 VAL 21 2HG1 VAL 21 4.158 2.007 -2.102 144 HG13 VAL 21 3HG1 VAL 21 5.667 2.844 -1.738 145 HG21 VAL 21 1HG2 VAL 21 4.698 -0.165 0.300 146 HG22 VAL 21 2HG2 VAL 21 3.589 0.750 1.322 147 HG23 VAL 21 3HG2 VAL 21 3.205 0.482 -0.378 148 H THR 22 H THR 22 8.087 2.858 -0.406 149 HA THR 22 HA THR 22 8.030 5.596 0.569 150 HB THR 22 HB THR 22 10.051 4.421 -1.338 151 HG1 THR 22 1HG THR 22 11.206 3.749 0.455 152 HG21 THR 22 1HG2 THR 22 9.688 6.973 -0.113 153 HG22 THR 22 2HG2 THR 22 10.973 6.444 -1.198 154 HG23 THR 22 3HG2 THR 22 11.148 6.234 0.544 155 H VAL 23 H VAL 23 6.483 6.748 -0.474 156 HA VAL 23 HA VAL 23 6.888 7.187 -3.336 157 HB VAL 23 HB VAL 23 4.224 6.460 -2.115 158 HG11 VAL 23 1HG1 VAL 23 4.925 7.885 -4.627 159 HG12 VAL 23 2HG1 VAL 23 3.602 6.717 -4.672 160 HG13 VAL 23 3HG1 VAL 23 3.534 8.086 -3.562 161 HG21 VAL 23 1HG2 VAL 23 5.788 4.610 -2.762 162 HG22 VAL 23 2HG2 VAL 23 4.237 4.597 -3.601 163 HG23 VAL 23 3HG2 VAL 23 5.680 5.188 -4.425 164 H ASP 24 H ASP 24 6.974 9.291 -3.742 165 HA ASP 24 HA ASP 24 6.899 11.337 -1.999 166 HB2 ASP 24 1HB ASP 24 6.267 11.179 -4.907 167 HB3 ASP 24 2HB ASP 24 5.921 12.690 -4.072 168 HA PRO 25 HA PRO 25 2.800 11.818 -0.475 169 HB2 PRO 25 1HB PRO 25 2.928 14.418 0.298 170 HB3 PRO 25 2HB PRO 25 3.729 13.113 1.181 171 HG2 PRO 25 1HG PRO 25 4.879 15.046 -0.794 172 HG3 PRO 25 2HG PRO 25 5.553 14.488 0.747 173 HD2 PRO 25 1HD PRO 25 6.355 13.493 -1.640 174 HD3 PRO 25 2HD PRO 25 6.320 12.512 -0.161 175 H LYS 26 H LYS 26 3.882 13.129 -3.311 176 HA LYS 26 HA LYS 26 1.647 14.901 -3.813 177 HB2 LYS 26 1HB LYS 26 2.765 15.574 -5.703 178 HB3 LYS 26 2HB LYS 26 4.120 15.013 -4.732 179 HG2 LYS 26 1HG LYS 26 4.158 12.915 -5.924 180 HG3 LYS 26 2HG LYS 26 2.721 13.378 -6.838 181 HD2 LYS 26 1HD LYS 26 4.338 13.941 -8.352 182 HD3 LYS 26 2HD LYS 26 4.228 15.461 -7.461 183 HE2 LYS 26 1HE LYS 26 6.062 14.293 -5.957 184 HE3 LYS 26 2HE LYS 26 6.362 13.388 -7.440 185 HZ1 LYS 26 1HZ LYS 26 6.391 15.730 -8.502 186 HZ2 LYS 26 2HZ LYS 26 7.759 15.179 -7.672 187 HZ3 LYS 26 3HZ LYS 26 6.697 16.264 -6.926 188 H TYR 27 H TYR 27 2.697 11.665 -4.732 189 HA TYR 27 HA TYR 27 0.406 11.287 -6.469 190 HB2 TYR 27 1HB TYR 27 2.527 9.306 -5.617 191 HB3 TYR 27 2HB TYR 27 1.351 9.079 -6.907 192 HD1 TYR 27 2HD TYR 27 1.460 11.710 -8.251 193 HD2 TYR 27 1HD TYR 27 4.590 9.280 -6.704 194 HE1 TYR 27 2HE TYR 27 3.027 12.714 -9.859 195 HE2 TYR 27 1HE TYR 27 6.166 10.278 -8.306 196 HH TYR 27 HH TYR 27 5.267 12.997 -10.315 197 H HIS 28 H HIS 28 1.251 10.769 -3.191 198 HA HIS 28 HA HIS 28 -0.123 8.565 -2.378 199 HB2 HIS 28 1HB HIS 28 0.475 11.189 -1.135 200 HB3 HIS 28 2HB HIS 28 -0.782 10.230 -0.359 201 HD2 HIS 28 2HD HIS 28 2.222 8.279 -1.842 202 HE1 HIS 28 1HE HIS 28 2.670 8.381 2.376 203 HE2 HIS 28 2HE HIS 28 3.579 7.475 0.208 204 HA PRO 29 HA PRO 29 -4.284 10.998 -2.124 205 HB2 PRO 29 1HB PRO 29 -4.356 13.476 -3.231 206 HB3 PRO 29 2HB PRO 29 -3.911 13.190 -1.545 207 HG2 PRO 29 1HG PRO 29 -2.145 13.654 -3.917 208 HG3 PRO 29 2HG PRO 29 -2.014 14.319 -2.278 209 HD2 PRO 29 1HD PRO 29 -0.509 12.236 -3.130 210 HD3 PRO 29 2HD PRO 29 -1.039 12.404 -1.444 211 H LYS 30 H LYS 30 -2.257 10.673 -4.794 212 HA LYS 30 HA LYS 30 -4.414 10.971 -6.747 213 HB2 LYS 30 1HB LYS 30 -1.448 10.494 -7.069 214 HB3 LYS 30 2HB LYS 30 -2.580 10.543 -8.414 215 HG2 LYS 30 1HG LYS 30 -2.466 12.842 -6.520 216 HG3 LYS 30 2HG LYS 30 -1.214 12.661 -7.750 217 HD2 LYS 30 1HD LYS 30 -3.167 12.399 -9.403 218 HD3 LYS 30 2HD LYS 30 -4.165 13.072 -8.112 219 HE2 LYS 30 1HE LYS 30 -2.628 15.024 -8.024 220 HE3 LYS 30 2HE LYS 30 -1.772 14.363 -9.417 221 HZ1 LYS 30 1HZ LYS 30 -4.569 15.334 -9.305 222 HZ2 LYS 30 2HZ LYS 30 -3.965 14.430 -10.601 223 HZ3 LYS 30 3HZ LYS 30 -3.296 15.941 -10.241 224 H ILE 31 H ILE 31 -2.630 8.564 -5.038 225 HA ILE 31 HA ILE 31 -3.270 6.409 -6.842 226 HB ILE 31 HB ILE 31 -2.192 6.324 -4.021 227 HG12 ILE 31 1HG1 ILE 31 -0.584 5.707 -6.465 228 HG13 ILE 31 2HG1 ILE 31 -0.872 7.393 -6.047 229 HG21 ILE 31 1HG2 ILE 31 -2.499 4.175 -6.108 230 HG22 ILE 31 2HG2 ILE 31 -1.492 4.012 -4.670 231 HG23 ILE 31 3HG2 ILE 31 -3.233 4.234 -4.506 232 HD11 ILE 31 1HD1 ILE 31 0.140 5.561 -3.940 233 HD12 ILE 31 2HD1 ILE 31 1.249 6.123 -5.191 234 HD13 ILE 31 3HD1 ILE 31 0.412 7.289 -4.166 235 H ILE 32 H ILE 32 -4.568 7.756 -3.872 236 HA ILE 32 HA ILE 32 -6.236 5.749 -3.003 237 HB ILE 32 HB ILE 32 -6.749 8.723 -3.033 238 HG12 ILE 32 1HG1 ILE 32 -5.976 7.025 -0.673 239 HG13 ILE 32 2HG1 ILE 32 -4.754 7.669 -1.765 240 HG21 ILE 32 1HG2 ILE 32 -8.164 6.633 -1.386 241 HG22 ILE 32 2HG2 ILE 32 -8.478 8.366 -1.405 242 HG23 ILE 32 3HG2 ILE 32 -8.837 7.390 -2.829 243 HD11 ILE 32 1HD1 ILE 32 -4.859 9.204 -0.019 244 HD12 ILE 32 2HD1 ILE 32 -5.811 9.945 -1.306 245 HD13 ILE 32 3HD1 ILE 32 -6.620 9.150 0.044 246 H GLY 33 H GLY 33 -7.261 8.419 -5.149 247 HA2 GLY 33 1HA GLY 33 -8.367 7.604 -7.270 248 HA3 GLY 33 2HA GLY 33 -9.344 6.609 -6.201 249 H ARG 34 H ARG 34 -10.137 8.707 -8.112 250 HA ARG 34 HA ARG 34 -10.829 11.114 -6.954 251 HB2 ARG 34 1HB ARG 34 -12.051 9.442 -9.112 252 HB3 ARG 34 2HB ARG 34 -12.918 10.862 -8.540 253 HG2 ARG 34 1HG ARG 34 -11.312 12.324 -9.327 254 HG3 ARG 34 2HG ARG 34 -10.054 11.086 -9.355 255 HD2 ARG 34 1HD ARG 34 -12.454 11.137 -11.179 256 HD3 ARG 34 2HD ARG 34 -10.857 11.747 -11.610 257 HE ARG 34 HE ARG 34 -11.696 9.010 -11.532 258 HH11 ARG 34 1HH1 ARG 34 -8.967 11.150 -11.222 259 HH12 ARG 34 2HH1 ARG 34 -7.806 9.945 -11.667 260 HH21 ARG 34 1HH2 ARG 34 -10.175 7.414 -12.119 261 HH22 ARG 34 2HH2 ARG 34 -8.493 7.820 -12.178 262 H LYS 35 H LYS 35 -12.693 8.086 -6.957 263 HA LYS 35 HA LYS 35 -14.474 9.236 -4.924 264 HB2 LYS 35 1HB LYS 35 -15.419 8.222 -7.054 265 HB3 LYS 35 2HB LYS 35 -14.886 6.661 -6.443 266 HG2 LYS 35 1HG LYS 35 -17.082 6.703 -5.776 267 HG3 LYS 35 2HG LYS 35 -16.263 7.315 -4.336 268 HD2 LYS 35 1HD LYS 35 -16.691 9.640 -5.255 269 HD3 LYS 35 2HD LYS 35 -17.765 8.874 -6.428 270 HE2 LYS 35 1HE LYS 35 -19.100 9.627 -4.597 271 HE3 LYS 35 2HE LYS 35 -19.013 7.869 -4.514 272 HZ1 LYS 35 1HZ LYS 35 -17.365 8.031 -2.793 273 HZ2 LYS 35 2HZ LYS 35 -18.712 8.950 -2.345 274 HZ3 LYS 35 3HZ LYS 35 -17.319 9.717 -2.922 275 H GLY 36 H GLY 36 -12.130 6.729 -5.511 276 HA2 GLY 36 1HA GLY 36 -10.896 5.985 -3.514 277 HA3 GLY 36 2HA GLY 36 -12.452 5.861 -2.704 278 H ALA 37 H ALA 37 -13.629 4.728 -5.237 279 HA ALA 37 HA ALA 37 -13.599 2.050 -4.604 280 HB1 ALA 37 1HB ALA 37 -14.334 3.608 -7.007 281 HB2 ALA 37 2HB ALA 37 -14.109 1.872 -7.224 282 HB3 ALA 37 3HB ALA 37 -15.286 2.469 -6.054 283 H VAL 38 H VAL 38 -11.154 3.879 -6.158 284 HA VAL 38 HA VAL 38 -9.898 1.795 -7.622 285 HB VAL 38 HB VAL 38 -8.615 4.293 -6.511 286 HG11 VAL 38 1HG1 VAL 38 -6.995 4.009 -8.286 287 HG12 VAL 38 2HG1 VAL 38 -7.052 2.552 -7.291 288 HG13 VAL 38 3HG1 VAL 38 -7.843 2.577 -8.868 289 HG21 VAL 38 1HG2 VAL 38 -10.721 4.113 -8.336 290 HG22 VAL 38 2HG2 VAL 38 -9.700 5.517 -8.021 291 HG23 VAL 38 3HG2 VAL 38 -9.280 4.392 -9.313 292 H ILE 39 H ILE 39 -8.656 3.456 -4.722 293 HA ILE 39 HA ILE 39 -6.754 1.535 -4.063 294 HB ILE 39 HB ILE 39 -6.828 3.816 -3.097 295 HG12 ILE 39 1HG1 ILE 39 -6.230 3.106 -0.743 296 HG13 ILE 39 2HG1 ILE 39 -6.742 1.480 -1.182 297 HG21 ILE 39 1HG2 ILE 39 -9.017 4.273 -2.533 298 HG22 ILE 39 2HG2 ILE 39 -9.258 2.702 -1.768 299 HG23 ILE 39 3HG2 ILE 39 -8.303 3.941 -0.955 300 HD11 ILE 39 1HD1 ILE 39 -4.787 2.745 -2.981 301 HD12 ILE 39 2HD1 ILE 39 -4.217 2.342 -1.361 302 HD13 ILE 39 3HD1 ILE 39 -4.893 1.085 -2.397 303 H THR 40 H THR 40 -10.174 1.640 -3.417 304 HA THR 40 HA THR 40 -10.274 -0.262 -1.335 305 HB THR 40 HB THR 40 -12.359 0.490 -3.390 306 HG1 THR 40 1HG THR 40 -13.114 1.822 -1.769 307 HG21 THR 40 1HG2 THR 40 -13.990 -0.604 -1.983 308 HG22 THR 40 2HG2 THR 40 -12.740 -1.050 -0.821 309 HG23 THR 40 3HG2 THR 40 -12.744 -1.769 -2.431 310 H GLN 41 H GLN 41 -10.293 -0.566 -4.844 311 HA GLN 41 HA GLN 41 -10.941 -3.322 -4.931 312 HB2 GLN 41 1HB GLN 41 -11.208 -1.884 -6.882 313 HB3 GLN 41 2HB GLN 41 -9.474 -1.595 -6.933 314 HG2 GLN 41 1HG GLN 41 -10.008 -3.189 -8.613 315 HG3 GLN 41 2HG GLN 41 -9.145 -4.027 -7.324 316 HE21 GLN 41 1HE2 GLN 41 -10.018 -5.997 -8.057 317 HE22 GLN 41 2HE2 GLN 41 -11.651 -6.439 -7.705 318 H ILE 42 H ILE 42 -7.936 -1.556 -4.590 319 HA ILE 42 HA ILE 42 -6.224 -3.796 -5.050 320 HB ILE 42 HB ILE 42 -5.642 -1.198 -3.623 321 HG12 ILE 42 1HG1 ILE 42 -4.733 -1.866 -6.397 322 HG13 ILE 42 2HG1 ILE 42 -6.379 -1.292 -6.147 323 HG21 ILE 42 1HG2 ILE 42 -3.566 -1.909 -3.252 324 HG22 ILE 42 2HG2 ILE 42 -4.138 -3.527 -3.658 325 HG23 ILE 42 3HG2 ILE 42 -3.404 -2.513 -4.901 326 HD11 ILE 42 1HD1 ILE 42 -4.303 0.321 -6.631 327 HD12 ILE 42 2HD1 ILE 42 -5.715 0.810 -5.696 328 HD13 ILE 42 3HD1 ILE 42 -4.248 0.288 -4.869 329 H ARG 43 H ARG 43 -7.570 -2.240 -2.174 330 HA ARG 43 HA ARG 43 -6.134 -3.686 -0.247 331 HB2 ARG 43 1HB ARG 43 -8.839 -2.358 -0.173 332 HB3 ARG 43 2HB ARG 43 -8.130 -3.131 1.239 333 HG2 ARG 43 1HG ARG 43 -6.346 -1.584 1.310 334 HG3 ARG 43 2HG ARG 43 -6.730 -0.961 -0.297 335 HD2 ARG 43 1HD ARG 43 -7.646 0.675 1.024 336 HD3 ARG 43 2HD ARG 43 -9.033 -0.393 0.817 337 HE ARG 43 HE ARG 43 -7.540 0.079 3.250 338 HH11 ARG 43 1HH1 ARG 43 -9.810 -1.956 1.569 339 HH12 ARG 43 2HH1 ARG 43 -10.472 -2.637 3.019 340 HH21 ARG 43 1HH2 ARG 43 -8.403 -0.808 5.165 341 HH22 ARG 43 2HH2 ARG 43 -9.673 -1.982 5.063 342 H LEU 44 H LEU 44 -9.289 -4.323 -1.746 343 HA LEU 44 HA LEU 44 -9.813 -6.696 -0.292 344 HB2 LEU 44 1HB LEU 44 -10.880 -5.591 -2.874 345 HB3 LEU 44 2HB LEU 44 -11.427 -7.131 -2.214 346 HG LEU 44 HG LEU 44 -11.626 -4.551 -0.678 347 HD11 LEU 44 1HD1 LEU 44 -13.877 -5.786 -2.229 348 HD12 LEU 44 2HD1 LEU 44 -12.838 -4.543 -2.924 349 HD13 LEU 44 3HD1 LEU 44 -13.791 -4.191 -1.484 350 HD21 LEU 44 1HD2 LEU 44 -12.681 -7.333 -0.376 351 HD22 LEU 44 2HD2 LEU 44 -13.559 -5.969 0.318 352 HD23 LEU 44 3HD2 LEU 44 -11.898 -6.296 0.816 353 H GLU 45 H GLU 45 -8.476 -6.111 -3.531 354 HA GLU 45 HA GLU 45 -8.240 -8.649 -4.501 355 HB2 GLU 45 1HB GLU 45 -7.532 -6.535 -5.653 356 HB3 GLU 45 2HB GLU 45 -6.058 -6.571 -4.696 357 HG2 GLU 45 1HG GLU 45 -5.326 -8.571 -5.735 358 HG3 GLU 45 2HG GLU 45 -6.893 -8.820 -6.504 359 H HIS 46 H HIS 46 -5.852 -7.013 -2.425 360 HA HIS 46 HA HIS 46 -4.605 -9.617 -1.897 361 HB2 HIS 46 1HB HIS 46 -3.529 -6.904 -1.128 362 HB3 HIS 46 2HB HIS 46 -2.654 -8.430 -1.194 363 HD1 HIS 46 1HD HIS 46 -2.459 -9.459 -3.729 364 HD2 HIS 46 2HD HIS 46 -3.291 -5.404 -3.372 365 HE1 HIS 46 1HE HIS 46 -1.891 -8.457 -5.965 366 H ASP 47 H ASP 47 -7.122 -8.338 -0.690 367 HA ASP 47 HA ASP 47 -8.044 -7.928 1.387 368 HB2 ASP 47 1HB ASP 47 -7.357 -9.982 2.935 369 HB3 ASP 47 2HB ASP 47 -8.418 -10.183 1.544 370 H VAL 48 H VAL 48 -5.752 -6.374 1.116 371 HA VAL 48 HA VAL 48 -4.502 -6.566 3.778 372 HB VAL 48 HB VAL 48 -2.656 -5.223 2.885 373 HG11 VAL 48 1HG1 VAL 48 -2.726 -7.300 0.830 374 HG12 VAL 48 2HG1 VAL 48 -1.596 -7.059 2.164 375 HG13 VAL 48 3HG1 VAL 48 -3.131 -7.881 2.446 376 HG21 VAL 48 1HG2 VAL 48 -3.921 -3.984 1.191 377 HG22 VAL 48 2HG2 VAL 48 -2.490 -4.747 0.500 378 HG23 VAL 48 3HG2 VAL 48 -4.081 -5.458 0.236 379 H ASN 49 H ASN 49 -3.891 -4.442 4.747 380 HA ASN 49 HA ASN 49 -6.070 -2.514 4.333 381 HB2 ASN 49 1HB ASN 49 -6.190 -3.205 6.560 382 HB3 ASN 49 2HB ASN 49 -4.440 -3.284 6.732 383 HD21 ASN 49 1HD2 ASN 49 -4.230 -1.980 8.473 384 HD22 ASN 49 2HD2 ASN 49 -4.624 -0.298 8.474 385 H ILE 50 H ILE 50 -5.546 -0.755 3.231 386 HA ILE 50 HA ILE 50 -2.766 0.200 3.313 387 HB ILE 50 HB ILE 50 -4.937 0.717 1.278 388 HG12 ILE 50 1HG1 ILE 50 -2.284 -0.691 0.942 389 HG13 ILE 50 2HG1 ILE 50 -3.791 -1.536 1.278 390 HG21 ILE 50 1HG2 ILE 50 -2.455 2.133 1.864 391 HG22 ILE 50 2HG2 ILE 50 -2.589 1.610 0.186 392 HG23 ILE 50 3HG2 ILE 50 -3.842 2.628 0.894 393 HD11 ILE 50 1HD1 ILE 50 -3.332 0.229 -1.113 394 HD12 ILE 50 2HD1 ILE 50 -3.158 -1.526 -1.110 395 HD13 ILE 50 3HD1 ILE 50 -4.731 -0.795 -0.797 396 H GLN 51 H GLN 51 -2.284 2.137 4.151 397 HA GLN 51 HA GLN 51 -4.400 4.114 4.541 398 HB2 GLN 51 1HB GLN 51 -2.901 2.712 6.694 399 HB3 GLN 51 2HB GLN 51 -3.204 4.431 6.905 400 HG2 GLN 51 1HG GLN 51 -5.596 4.051 6.653 401 HG3 GLN 51 2HG GLN 51 -5.302 2.329 6.411 402 HE21 GLN 51 1HE2 GLN 51 -5.660 1.145 8.131 403 HE22 GLN 51 2HE2 GLN 51 -5.468 1.639 9.775 404 H PHE 52 H PHE 52 -3.734 6.116 4.087 405 HA PHE 52 HA PHE 52 -0.888 6.526 3.558 406 HB2 PHE 52 1HB PHE 52 -3.262 8.274 2.872 407 HB3 PHE 52 2HB PHE 52 -1.602 8.536 2.348 408 HD1 PHE 52 2HD PHE 52 -4.526 6.316 2.029 409 HD2 PHE 52 1HD PHE 52 -0.701 7.377 0.494 410 HE1 PHE 52 2HE PHE 52 -4.941 4.925 0.042 411 HE2 PHE 52 1HE PHE 52 -1.110 5.988 -1.495 412 HZ PHE 52 HZ PHE 52 -3.232 4.760 -1.723 413 HA PRO 53 HA PRO 53 -0.172 9.042 7.084 414 HB2 PRO 53 1HB PRO 53 1.667 10.784 6.107 415 HB3 PRO 53 2HB PRO 53 2.035 9.089 6.446 416 HG2 PRO 53 1HG PRO 53 1.389 10.402 3.834 417 HG3 PRO 53 2HG PRO 53 2.634 9.193 4.201 418 HD2 PRO 53 1HD PRO 53 0.274 8.548 3.040 419 HD3 PRO 53 2HD PRO 53 1.134 7.444 4.132 420 H ASP 54 H ASP 54 -0.208 11.305 7.868 421 HA ASP 54 HA ASP 54 -2.107 12.923 6.301 422 HB2 ASP 54 1HB ASP 54 -2.701 11.914 8.657 423 HB3 ASP 54 2HB ASP 54 -1.758 13.278 9.252 424 H LYS 55 H LYS 55 -1.717 15.072 5.978 425 HA LYS 55 HA LYS 55 1.001 15.944 6.209 426 HB2 LYS 55 1HB LYS 55 -1.330 17.696 5.461 427 HB3 LYS 55 2HB LYS 55 0.348 17.839 4.955 428 HG2 LYS 55 1HG LYS 55 -1.123 15.372 4.207 429 HG3 LYS 55 2HG LYS 55 -1.517 16.869 3.360 430 HD2 LYS 55 1HD LYS 55 0.851 17.153 2.781 431 HD3 LYS 55 2HD LYS 55 1.230 15.643 3.613 432 HE2 LYS 55 1HE LYS 55 -0.744 15.801 1.349 433 HE3 LYS 55 2HE LYS 55 0.978 15.523 1.090 434 HZ1 LYS 55 1HZ LYS 55 -0.434 13.480 1.217 435 HZ2 LYS 55 2HZ LYS 55 -0.690 13.820 2.853 436 HZ3 LYS 55 3HZ LYS 55 0.874 13.505 2.290 437 H ASP 56 H ASP 56 -2.076 16.993 7.650 438 HA ASP 56 HA ASP 56 -1.248 19.124 9.153 439 HB2 ASP 56 1HB ASP 56 -3.593 18.174 8.961 440 HB3 ASP 56 2HB ASP 56 -3.136 17.020 10.213 441 H ASP 57 H ASP 57 -0.864 15.697 9.889 442 HA ASP 57 HA ASP 57 0.014 15.859 12.514 443 HB2 ASP 57 1HB ASP 57 -0.400 13.807 10.891 444 HB3 ASP 57 2HB ASP 57 1.344 13.921 10.674 445 H GLY 58 H GLY 58 2.208 15.402 9.736 446 HA2 GLY 58 1HA GLY 58 4.117 16.716 9.262 447 HA3 GLY 58 2HA GLY 58 4.021 17.396 10.880 448 H ASN 59 H ASN 59 4.452 15.805 12.684 449 HA ASN 59 HA ASN 59 6.999 14.873 12.650 450 HB2 ASN 59 1HB ASN 59 4.591 14.031 14.221 451 HB3 ASN 59 2HB ASN 59 6.100 13.144 14.415 452 HD21 ASN 59 1HD2 ASN 59 8.051 14.706 14.640 453 HD22 ASN 59 2HD2 ASN 59 7.835 15.973 15.796 454 H GLN 60 H GLN 60 4.136 13.174 11.523 455 HA GLN 60 HA GLN 60 5.606 10.740 10.990 456 HB2 GLN 60 1HB GLN 60 2.764 11.541 10.344 457 HB3 GLN 60 2HB GLN 60 3.446 9.949 10.041 458 HG2 GLN 60 1HG GLN 60 3.823 9.649 12.431 459 HG3 GLN 60 2HG GLN 60 3.153 11.250 12.739 460 HE21 GLN 60 1HE2 GLN 60 1.006 11.247 11.020 461 HE22 GLN 60 2HE2 GLN 60 -0.144 10.068 11.541 462 HA PRO 61 HA PRO 61 6.825 11.625 6.866 463 HB2 PRO 61 1HB PRO 61 6.757 9.136 5.781 464 HB3 PRO 61 2HB PRO 61 8.000 9.650 6.929 465 HG2 PRO 61 1HG PRO 61 5.523 8.041 7.414 466 HG3 PRO 61 2HG PRO 61 7.161 7.790 8.045 467 HD2 PRO 61 1HD PRO 61 5.198 8.947 9.508 468 HD3 PRO 61 2HD PRO 61 6.908 9.388 9.688 469 H GLN 62 H GLN 62 5.828 12.363 5.092 470 HA GLN 62 HA GLN 62 3.036 11.627 4.661 471 HB2 GLN 62 1HB GLN 62 4.691 13.826 3.409 472 HB3 GLN 62 2HB GLN 62 2.965 13.583 3.174 473 HG2 GLN 62 1HG GLN 62 4.423 14.537 5.599 474 HG3 GLN 62 2HG GLN 62 3.059 15.268 4.754 475 HE21 GLN 62 1HE2 GLN 62 3.818 13.971 7.554 476 HE22 GLN 62 2HE2 GLN 62 2.341 13.179 7.976 477 H ASP 63 H ASP 63 6.099 10.886 3.454 478 HA ASP 63 HA ASP 63 5.079 10.155 0.806 479 HB2 ASP 63 1HB ASP 63 7.275 10.119 0.048 480 HB3 ASP 63 2HB ASP 63 7.329 11.395 1.261 481 H GLN 64 H GLN 64 5.661 8.807 3.849 482 HA GLN 64 HA GLN 64 6.129 6.117 2.826 483 HB2 GLN 64 1HB GLN 64 5.992 7.227 5.631 484 HB3 GLN 64 2HB GLN 64 6.222 5.521 5.269 485 HG2 GLN 64 1HG GLN 64 8.070 7.498 4.041 486 HG3 GLN 64 2HG GLN 64 8.255 7.107 5.750 487 HE21 GLN 64 1HE2 GLN 64 8.012 5.640 2.547 488 HE22 GLN 64 2HE2 GLN 64 9.028 4.287 2.893 489 H ILE 65 H ILE 65 4.646 4.515 2.800 490 HA ILE 65 HA ILE 65 1.941 5.181 3.767 491 HB ILE 65 HB ILE 65 2.568 3.270 1.522 492 HG12 ILE 65 1HG1 ILE 65 1.487 6.049 1.131 493 HG13 ILE 65 2HG1 ILE 65 3.222 5.754 1.166 494 HG21 ILE 65 1HG2 ILE 65 0.438 2.710 1.871 495 HG22 ILE 65 2HG2 ILE 65 0.172 4.078 2.948 496 HG23 ILE 65 3HG2 ILE 65 0.024 4.288 1.203 497 HD11 ILE 65 1HD1 ILE 65 3.096 4.351 -0.747 498 HD12 ILE 65 2HD1 ILE 65 1.333 4.352 -0.703 499 HD13 ILE 65 3HD1 ILE 65 2.205 5.830 -1.108 500 H THR 66 H THR 66 1.069 3.883 5.246 501 HA THR 66 HA THR 66 2.546 1.526 6.090 502 HB THR 66 HB THR 66 -0.006 2.377 7.396 503 HG1 THR 66 1HG THR 66 1.290 3.898 8.624 504 HG21 THR 66 1HG2 THR 66 0.812 0.592 8.560 505 HG22 THR 66 2HG2 THR 66 1.693 1.879 9.385 506 HG23 THR 66 3HG2 THR 66 2.485 0.935 8.124 507 H ILE 67 H ILE 67 1.903 -0.539 5.836 508 HA ILE 67 HA ILE 67 -0.815 -1.074 4.877 509 HB ILE 67 HB ILE 67 1.653 -2.224 3.569 510 HG12 ILE 67 1HG1 ILE 67 -0.375 -0.315 2.394 511 HG13 ILE 67 2HG1 ILE 67 1.172 0.199 3.060 512 HG21 ILE 67 1HG2 ILE 67 -0.400 -2.777 1.904 513 HG22 ILE 67 2HG2 ILE 67 0.197 -3.886 3.137 514 HG23 ILE 67 3HG2 ILE 67 -1.213 -2.880 3.466 515 HD11 ILE 67 1HD1 ILE 67 1.401 0.059 0.704 516 HD12 ILE 67 2HD1 ILE 67 2.284 -1.299 1.401 517 HD13 ILE 67 3HD1 ILE 67 0.700 -1.559 0.670 518 H THR 68 H THR 68 -1.703 -2.554 6.141 519 HA THR 68 HA THR 68 0.043 -4.457 7.546 520 HB THR 68 HB THR 68 -2.831 -3.985 8.276 521 HG1 THR 68 1HG THR 68 -1.798 -1.930 8.245 522 HG21 THR 68 1HG2 THR 68 -1.795 -5.838 9.381 523 HG22 THR 68 2HG2 THR 68 -1.904 -4.520 10.549 524 HG23 THR 68 3HG2 THR 68 -0.366 -4.880 9.766 525 H GLY 69 H GLY 69 -0.399 -6.657 7.541 526 HA2 GLY 69 1HA GLY 69 -2.443 -8.178 6.866 527 HA3 GLY 69 2HA GLY 69 -2.021 -7.552 5.278 528 H TYR 70 H TYR 70 -1.687 -9.817 4.732 529 HA TYR 70 HA TYR 70 0.370 -11.343 5.964 530 HB2 TYR 70 1HB TYR 70 -1.027 -11.608 3.300 531 HB3 TYR 70 2HB TYR 70 0.158 -12.768 3.889 532 HD1 TYR 70 2HD TYR 70 -0.488 -13.125 6.671 533 HD2 TYR 70 1HD TYR 70 -3.116 -12.593 3.366 534 HE1 TYR 70 2HE TYR 70 -2.258 -14.318 7.894 535 HE2 TYR 70 1HE TYR 70 -4.893 -13.784 4.581 536 HH TYR 70 HH TYR 70 -5.530 -14.555 6.624 537 H GLU 71 H GLU 71 2.485 -11.070 5.802 538 HA GLU 71 HA GLU 71 3.899 -9.170 4.580 539 HB2 GLU 71 1HB GLU 71 5.149 -10.610 5.922 540 HB3 GLU 71 2HB GLU 71 4.599 -12.044 5.066 541 HG2 GLU 71 1HG GLU 71 5.922 -11.285 3.095 542 HG3 GLU 71 2HG GLU 71 6.579 -9.998 4.103 543 H LYS 72 H LYS 72 2.592 -12.000 2.985 544 HA LYS 72 HA LYS 72 3.946 -11.536 0.498 545 HB2 LYS 72 1HB LYS 72 1.729 -13.365 1.378 546 HB3 LYS 72 2HB LYS 72 2.146 -13.211 -0.323 547 HG2 LYS 72 1HG LYS 72 4.559 -13.720 0.495 548 HG3 LYS 72 2HG LYS 72 3.741 -14.362 1.921 549 HD2 LYS 72 1HD LYS 72 2.324 -15.722 0.308 550 HD3 LYS 72 2HD LYS 72 3.482 -15.258 -0.940 551 HE2 LYS 72 1HE LYS 72 5.290 -16.259 0.371 552 HE3 LYS 72 2HE LYS 72 4.133 -16.716 1.621 553 HZ1 LYS 72 1HZ LYS 72 3.751 -17.621 -1.157 554 HZ2 LYS 72 2HZ LYS 72 3.184 -18.315 0.277 555 HZ3 LYS 72 3HZ LYS 72 4.820 -18.444 -0.135 556 H ASN 73 H ASN 73 0.468 -11.475 1.308 557 HA ASN 73 HA ASN 73 -0.465 -10.248 -0.964 558 HB2 ASN 73 1HB ASN 73 -1.409 -10.232 1.882 559 HB3 ASN 73 2HB ASN 73 -2.236 -9.239 0.685 560 HD21 ASN 73 1HD2 ASN 73 -3.982 -10.749 1.445 561 HD22 ASN 73 2HD2 ASN 73 -4.182 -12.218 0.557 562 H THR 74 H THR 74 0.727 -8.676 1.988 563 HA THR 74 HA THR 74 0.237 -6.035 1.348 564 HB THR 74 HB THR 74 2.204 -5.472 2.781 565 HG1 THR 74 1HG THR 74 2.510 -8.212 3.334 566 HG21 THR 74 1HG2 THR 74 0.816 -7.630 4.263 567 HG22 THR 74 2HG2 THR 74 -0.197 -6.382 3.536 568 HG23 THR 74 3HG2 THR 74 1.060 -5.937 4.690 569 H GLU 75 H GLU 75 3.120 -7.966 0.561 570 HA GLU 75 HA GLU 75 4.510 -5.934 -0.793 571 HB2 GLU 75 1HB GLU 75 4.639 -8.936 -0.892 572 HB3 GLU 75 2HB GLU 75 5.645 -7.950 -1.944 573 HG2 GLU 75 1HG GLU 75 5.657 -7.356 0.963 574 HG3 GLU 75 2HG GLU 75 6.495 -8.800 0.397 575 H ALA 76 H ALA 76 2.004 -8.143 -1.820 576 HA ALA 76 HA ALA 76 2.318 -7.686 -4.620 577 HB1 ALA 76 1HB ALA 76 0.210 -8.860 -4.860 578 HB2 ALA 76 2HB ALA 76 1.256 -9.711 -3.724 579 HB3 ALA 76 3HB ALA 76 -0.083 -8.731 -3.126 580 H ALA 77 H ALA 77 0.441 -6.201 -2.056 581 HA ALA 77 HA ALA 77 -1.078 -4.554 -3.887 582 HB1 ALA 77 1HB ALA 77 -0.981 -4.049 -0.948 583 HB2 ALA 77 2HB ALA 77 -2.329 -3.889 -2.074 584 HB3 ALA 77 3HB ALA 77 -1.798 -5.489 -1.558 585 H ARG 78 H ARG 78 1.811 -4.312 -1.966 586 HA ARG 78 HA ARG 78 1.993 -1.464 -1.994 587 HB2 ARG 78 1HB ARG 78 3.987 -1.722 -0.867 588 HB3 ARG 78 2HB ARG 78 3.182 -3.232 -0.466 589 HG2 ARG 78 1HG ARG 78 5.214 -4.049 -1.051 590 HG3 ARG 78 2HG ARG 78 4.447 -4.056 -2.640 591 HD2 ARG 78 1HD ARG 78 5.406 -1.682 -2.880 592 HD3 ARG 78 2HD ARG 78 6.438 -2.114 -1.518 593 HE ARG 78 HE ARG 78 6.467 -3.989 -3.717 594 HH11 ARG 78 1HH1 ARG 78 7.918 -1.168 -2.281 595 HH12 ARG 78 2HH1 ARG 78 9.430 -1.368 -3.102 596 HH21 ARG 78 1HH2 ARG 78 8.454 -4.263 -4.802 597 HH22 ARG 78 2HH2 ARG 78 9.734 -3.128 -4.537 598 H ASP 79 H ASP 79 2.829 -3.984 -4.211 599 HA ASP 79 HA ASP 79 4.788 -2.627 -5.722 600 HB2 ASP 79 1HB ASP 79 4.537 -5.013 -5.958 601 HB3 ASP 79 2HB ASP 79 2.865 -4.834 -6.480 602 H ALA 80 H ALA 80 1.266 -2.834 -6.032 603 HA ALA 80 HA ALA 80 0.954 -1.484 -8.442 604 HB1 ALA 80 1HB ALA 80 -1.194 -0.726 -6.778 605 HB2 ALA 80 2HB ALA 80 -1.152 -2.010 -7.988 606 HB3 ALA 80 3HB ALA 80 -0.728 -2.362 -6.312 607 H ILE 81 H ILE 81 0.714 -0.104 -5.158 608 HA ILE 81 HA ILE 81 0.308 2.509 -5.641 609 HB ILE 81 HB ILE 81 2.370 1.439 -3.711 610 HG12 ILE 81 1HG1 ILE 81 -0.530 2.156 -3.240 611 HG13 ILE 81 2HG1 ILE 81 0.056 0.513 -3.478 612 HG21 ILE 81 1HG2 ILE 81 1.947 4.064 -4.429 613 HG22 ILE 81 2HG2 ILE 81 0.972 3.878 -2.973 614 HG23 ILE 81 3HG2 ILE 81 2.694 3.504 -2.933 615 HD11 ILE 81 1HD1 ILE 81 0.021 0.574 -1.215 616 HD12 ILE 81 2HD1 ILE 81 1.650 1.196 -1.480 617 HD13 ILE 81 3HD1 ILE 81 0.324 2.309 -1.142 618 H LEU 82 H LEU 82 3.363 0.809 -6.114 619 HA LEU 82 HA LEU 82 4.763 3.211 -6.893 620 HB2 LEU 82 1HB LEU 82 5.668 0.368 -7.274 621 HB3 LEU 82 2HB LEU 82 6.665 1.819 -7.204 622 HG LEU 82 HG LEU 82 5.081 0.809 -4.851 623 HD11 LEU 82 1HD1 LEU 82 6.998 -0.690 -5.941 624 HD12 LEU 82 2HD1 LEU 82 6.752 -0.570 -4.199 625 HD13 LEU 82 3HD1 LEU 82 8.006 0.392 -4.980 626 HD21 LEU 82 1HD2 LEU 82 6.282 2.332 -3.582 627 HD22 LEU 82 2HD2 LEU 82 5.979 3.227 -5.072 628 HD23 LEU 82 3HD2 LEU 82 7.557 2.490 -4.791 629 H ARG 83 H ARG 83 3.538 0.297 -8.511 630 HA ARG 83 HA ARG 83 4.428 0.706 -11.071 631 HB2 ARG 83 1HB ARG 83 2.860 -1.136 -9.997 632 HB3 ARG 83 2HB ARG 83 1.590 -0.146 -10.703 633 HG2 ARG 83 1HG ARG 83 2.252 -0.596 -12.863 634 HG3 ARG 83 2HG ARG 83 3.902 -0.999 -12.383 635 HD2 ARG 83 1HD ARG 83 1.681 -2.698 -11.370 636 HD3 ARG 83 2HD ARG 83 2.152 -2.863 -13.061 637 HE ARG 83 HE ARG 83 4.464 -2.959 -11.490 638 HH11 ARG 83 1HH1 ARG 83 1.593 -4.831 -12.097 639 HH12 ARG 83 2HH1 ARG 83 2.348 -6.349 -11.735 640 HH21 ARG 83 1HH2 ARG 83 5.470 -4.949 -11.011 641 HH22 ARG 83 2HH2 ARG 83 4.553 -6.414 -11.116 642 H ILE 84 H ILE 84 1.890 2.399 -9.371 643 HA ILE 84 HA ILE 84 0.822 3.697 -11.694 644 HB ILE 84 HB ILE 84 0.509 4.482 -8.795 645 HG12 ILE 84 1HG1 ILE 84 -1.554 2.981 -10.363 646 HG13 ILE 84 2HG1 ILE 84 -0.212 2.098 -9.644 647 HG21 ILE 84 1HG2 ILE 84 -0.423 5.630 -11.274 648 HG22 ILE 84 2HG2 ILE 84 -1.770 5.161 -10.238 649 HG23 ILE 84 3HG2 ILE 84 -0.532 6.261 -9.631 650 HD11 ILE 84 1HD1 ILE 84 -2.608 2.887 -8.427 651 HD12 ILE 84 2HD1 ILE 84 -1.212 2.113 -7.676 652 HD13 ILE 84 3HD1 ILE 84 -1.335 3.871 -7.706 653 H VAL 85 H VAL 85 2.715 4.881 -8.910 654 HA VAL 85 HA VAL 85 3.154 7.462 -9.577 655 HB VAL 85 HB VAL 85 5.162 5.500 -8.472 656 HG11 VAL 85 1HG1 VAL 85 6.004 7.932 -7.603 657 HG12 VAL 85 2HG1 VAL 85 6.692 7.066 -8.978 658 HG13 VAL 85 3HG1 VAL 85 5.474 8.315 -9.240 659 HG21 VAL 85 1HG2 VAL 85 4.543 7.152 -6.447 660 HG22 VAL 85 2HG2 VAL 85 3.029 7.208 -7.350 661 HG23 VAL 85 3HG2 VAL 85 3.662 5.663 -6.785 662 H GLY 86 H GLY 86 5.302 4.813 -10.647 663 HA2 GLY 86 1HA GLY 86 7.063 6.077 -12.240 664 HA3 GLY 86 2HA GLY 86 6.353 4.536 -12.697 665 H GLU 87 H GLU 87 3.688 5.468 -13.085 666 HA GLU 87 HA GLU 87 3.991 6.549 -15.738 667 HB2 GLU 87 1HB GLU 87 1.302 6.265 -14.498 668 HB3 GLU 87 2HB GLU 87 1.839 5.860 -16.122 669 HG2 GLU 87 1HG GLU 87 3.224 4.027 -14.801 670 HG3 GLU 87 2HG GLU 87 1.919 4.251 -13.637 671 H LEU 88 H LEU 88 2.341 7.586 -12.758 672 HA LEU 88 HA LEU 88 1.253 9.958 -13.537 673 HB2 LEU 88 1HB LEU 88 2.777 9.736 -10.961 674 HB3 LEU 88 2HB LEU 88 1.311 10.658 -11.292 675 HG LEU 88 HG LEU 88 1.556 7.667 -11.003 676 HD11 LEU 88 1HD1 LEU 88 -0.253 9.396 -9.397 677 HD12 LEU 88 2HD1 LEU 88 1.465 9.375 -9.005 678 HD13 LEU 88 3HD1 LEU 88 0.535 7.878 -8.970 679 HD21 LEU 88 1HD2 LEU 88 -0.855 7.591 -11.357 680 HD22 LEU 88 2HD2 LEU 88 -0.026 8.219 -12.782 681 HD23 LEU 88 3HD2 LEU 88 -0.868 9.324 -11.694 682 H GLU 89 H GLU 89 4.641 9.329 -12.786 683 HA GLU 89 HA GLU 89 5.566 11.971 -12.819 684 HB2 GLU 89 1HB GLU 89 6.740 9.662 -12.244 685 HB3 GLU 89 2HB GLU 89 7.291 9.797 -13.908 686 HG2 GLU 89 1HG GLU 89 7.687 11.921 -11.815 687 HG3 GLU 89 2HG GLU 89 8.880 10.690 -12.226 688 H GLN 90 H GLN 90 5.790 9.556 -15.438 689 HA GLN 90 HA GLN 90 6.389 11.609 -17.373 690 HB2 GLN 90 1HB GLN 90 6.099 8.625 -17.476 691 HB3 GLN 90 2HB GLN 90 6.144 9.562 -18.964 692 HG2 GLN 90 1HG GLN 90 8.317 10.493 -18.279 693 HG3 GLN 90 2HG GLN 90 8.275 9.475 -16.842 694 HE21 GLN 90 1HE2 GLN 90 9.915 8.114 -17.213 695 HE22 GLN 90 2HE2 GLN 90 10.040 7.069 -18.582 696 H MET 91 H MET 91 3.926 12.079 -16.160 697 HA MET 91 HA MET 91 2.074 11.593 -18.400 698 HB2 MET 91 1HB MET 91 1.605 11.502 -15.440 699 HB3 MET 91 2HB MET 91 0.286 11.923 -16.525 700 HG2 MET 91 1HG MET 91 1.860 9.477 -17.114 701 HG3 MET 91 2HG MET 91 0.727 9.443 -15.764 702 HE1 MET 91 1HE MET 91 -2.146 9.366 -16.268 703 HE2 MET 91 2HE MET 91 -2.131 8.067 -17.460 704 HE3 MET 91 3HE MET 91 -0.948 8.077 -16.153 705 H SER 92 H SER 92 2.651 13.752 -15.621 706 HA SER 92 HA SER 92 1.389 15.944 -17.083 707 HB2 SER 92 1HB SER 92 1.455 17.157 -14.966 708 HB3 SER 92 2HB SER 92 0.755 15.558 -14.717 709 HG SER 92 HG SER 92 3.137 15.040 -14.234 710 H GLY 93 H GLY 93 2.580 17.269 -18.272 711 HA2 GLY 93 1HA GLY 93 4.295 18.845 -18.614 712 HA3 GLY 93 2HA GLY 93 5.208 18.101 -17.310 713 HA PRO 94 HA PRO 94 7.242 16.849 -21.250 714 HB2 PRO 94 1HB PRO 94 9.766 17.114 -20.285 715 HB3 PRO 94 2HB PRO 94 8.851 18.465 -20.967 716 HG2 PRO 94 1HG PRO 94 9.278 17.722 -18.098 717 HG3 PRO 94 2HG PRO 94 9.331 19.323 -18.860 718 HD2 PRO 94 1HD PRO 94 7.179 18.439 -17.473 719 HD3 PRO 94 2HD PRO 94 7.036 19.537 -18.861 720 H SER 95 H SER 95 8.630 15.011 -21.673 721 HA SER 95 HA SER 95 8.424 12.976 -19.559 722 HB2 SER 95 1HB SER 95 8.587 12.693 -22.566 723 HB3 SER 95 2HB SER 95 8.634 11.334 -21.445 724 HG SER 95 HG SER 95 6.530 13.223 -21.440 725 H SER 96 H SER 96 10.181 11.781 -18.943 726 HA SER 96 HA SER 96 12.753 12.358 -20.236 727 HB2 SER 96 1HB SER 96 13.809 12.508 -17.972 728 HB3 SER 96 2HB SER 96 12.691 13.828 -18.317 729 HG SER 96 HG SER 96 12.326 12.998 -16.242 730 H GLY 97 H GLY 97 13.994 10.608 -20.548 731 HA2 GLY 97 1HA GLY 97 13.903 8.314 -18.828 732 HA3 GLY 97 2HA GLY 97 13.088 8.031 -20.359 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -3.512 -38.330 -6.882 2 HA2 GLY 1 1HA GLY 1 -0.948 -37.303 -6.222 3 HA3 GLY 1 2HA GLY 1 -1.660 -36.364 -7.526 4 H SER 2 H SER 2 -1.107 -36.090 -4.447 5 HA SER 2 HA SER 2 -3.420 -34.410 -3.985 6 HB2 SER 2 1HB SER 2 -3.991 -35.440 -1.826 7 HB3 SER 2 2HB SER 2 -4.191 -36.591 -3.146 8 HG SER 2 HG SER 2 -3.018 -37.286 -1.151 9 H SER 3 H SER 3 -2.543 -32.557 -3.374 10 HA SER 3 HA SER 3 -0.069 -32.597 -1.793 11 HB2 SER 3 1HB SER 3 -1.335 -30.328 -3.349 12 HB3 SER 3 2HB SER 3 0.210 -30.256 -2.501 13 HG SER 3 HG SER 3 -0.084 -32.330 -4.314 14 H GLY 4 H GLY 4 0.150 -30.785 -0.178 15 HA2 GLY 4 1HA GLY 4 -1.886 -29.341 0.953 16 HA3 GLY 4 2HA GLY 4 -2.040 -30.939 1.665 17 H SER 5 H SER 5 -1.417 -30.556 3.722 18 HA SER 5 HA SER 5 -0.139 -29.847 5.492 19 HB2 SER 5 1HB SER 5 1.952 -30.934 5.596 20 HB3 SER 5 2HB SER 5 0.996 -31.933 4.502 21 HG SER 5 HG SER 5 2.059 -30.336 2.876 22 H SER 6 H SER 6 -0.697 -27.691 3.898 23 HA SER 6 HA SER 6 1.852 -26.230 3.713 24 HB2 SER 6 1HB SER 6 0.511 -24.599 2.318 25 HB3 SER 6 2HB SER 6 0.716 -26.200 1.606 26 HG SER 6 HG SER 6 -1.395 -25.948 1.404 27 H GLY 7 H GLY 7 1.600 -23.814 4.172 28 HA2 GLY 7 1HA GLY 7 0.401 -22.114 5.424 29 HA3 GLY 7 2HA GLY 7 -0.221 -23.393 6.456 30 H GLU 8 H GLU 8 1.468 -20.862 6.861 31 HA GLU 8 HA GLU 8 4.010 -21.722 7.788 32 HB2 GLU 8 1HB GLU 8 2.410 -19.245 8.456 33 HB3 GLU 8 2HB GLU 8 4.090 -19.501 8.904 34 HG2 GLU 8 1HG GLU 8 3.108 -19.510 6.064 35 HG3 GLU 8 2HG GLU 8 3.724 -18.076 6.884 36 H GLN 9 H GLN 9 4.570 -21.077 10.205 37 HA GLN 9 HA GLN 9 2.824 -22.744 11.861 38 HB2 GLN 9 1HB GLN 9 5.707 -21.941 12.019 39 HB3 GLN 9 2HB GLN 9 4.872 -22.490 13.466 40 HG2 GLN 9 1HG GLN 9 5.079 -24.059 10.906 41 HG3 GLN 9 2HG GLN 9 6.122 -24.273 12.312 42 HE21 GLN 9 1HE2 GLN 9 2.906 -24.667 11.038 43 HE22 GLN 9 2HE2 GLN 9 2.340 -25.754 12.256 44 H GLU 10 H GLU 10 3.928 -19.488 11.476 45 HA GLU 10 HA GLU 10 2.356 -18.713 13.840 46 HB2 GLU 10 1HB GLU 10 4.023 -16.741 13.974 47 HB3 GLU 10 2HB GLU 10 4.520 -18.308 14.599 48 HG2 GLU 10 1HG GLU 10 5.202 -17.311 11.845 49 HG3 GLU 10 2HG GLU 10 6.245 -17.118 13.253 50 H ASP 11 H ASP 11 0.553 -17.944 12.895 51 HA ASP 11 HA ASP 11 0.774 -16.193 10.568 52 HB2 ASP 11 1HB ASP 11 -1.662 -16.402 10.421 53 HB3 ASP 11 2HB ASP 11 -0.903 -17.988 10.505 54 H ARG 12 H ARG 12 -0.474 -16.166 13.883 55 HA ARG 12 HA ARG 12 -1.701 -13.779 14.110 56 HB2 ARG 12 1HB ARG 12 -0.722 -13.598 16.411 57 HB3 ARG 12 2HB ARG 12 -1.433 -15.164 16.043 58 HG2 ARG 12 1HG ARG 12 0.669 -16.190 15.835 59 HG3 ARG 12 2HG ARG 12 1.506 -14.640 15.746 60 HD2 ARG 12 1HD ARG 12 0.039 -15.707 18.157 61 HD3 ARG 12 2HD ARG 12 1.788 -15.730 17.932 62 HE ARG 12 HE ARG 12 1.029 -13.100 17.639 63 HH11 ARG 12 1HH1 ARG 12 0.819 -15.531 20.121 64 HH12 ARG 12 2HH1 ARG 12 0.882 -14.392 21.425 65 HH21 ARG 12 1HH2 ARG 12 1.113 -11.590 19.346 66 HH22 ARG 12 2HH2 ARG 12 1.049 -12.149 20.983 67 H ALA 13 H ALA 13 1.717 -14.277 13.588 68 HA ALA 13 HA ALA 13 2.361 -11.479 13.994 69 HB1 ALA 13 1HB ALA 13 4.633 -12.100 13.568 70 HB2 ALA 13 2HB ALA 13 3.922 -13.312 14.633 71 HB3 ALA 13 3HB ALA 13 4.137 -13.663 12.918 72 H LEU 14 H LEU 14 2.288 -13.779 11.283 73 HA LEU 14 HA LEU 14 3.169 -12.202 9.229 74 HB2 LEU 14 1HB LEU 14 0.903 -14.187 9.201 75 HB3 LEU 14 2HB LEU 14 1.661 -13.521 7.757 76 HG LEU 14 HG LEU 14 3.222 -15.065 9.811 77 HD11 LEU 14 1HD1 LEU 14 1.130 -16.151 8.412 78 HD12 LEU 14 2HD1 LEU 14 2.514 -17.039 9.047 79 HD13 LEU 14 3HD1 LEU 14 2.511 -16.491 7.370 80 HD21 LEU 14 1HD2 LEU 14 4.117 -13.534 7.807 81 HD22 LEU 14 2HD2 LEU 14 3.869 -15.041 6.926 82 HD23 LEU 14 3HD2 LEU 14 4.935 -15.007 8.331 83 H ARG 15 H ARG 15 -0.115 -12.326 10.564 84 HA ARG 15 HA ARG 15 -1.200 -10.423 8.754 85 HB2 ARG 15 1HB ARG 15 -3.116 -10.361 10.292 86 HB3 ARG 15 2HB ARG 15 -2.626 -12.011 9.933 87 HG2 ARG 15 1HG ARG 15 -1.497 -12.170 12.073 88 HG3 ARG 15 2HG ARG 15 -1.907 -10.491 12.430 89 HD2 ARG 15 1HD ARG 15 -3.835 -12.779 12.048 90 HD3 ARG 15 2HD ARG 15 -3.440 -11.978 13.569 91 HE ARG 15 HE ARG 15 -4.352 -9.965 11.986 92 HH11 ARG 15 1HH1 ARG 15 -5.619 -13.056 12.963 93 HH12 ARG 15 2HH1 ARG 15 -7.274 -12.548 12.891 94 HH21 ARG 15 1HH2 ARG 15 -6.527 -9.283 11.888 95 HH22 ARG 15 2HH2 ARG 15 -7.789 -10.402 12.279 96 H SER 16 H SER 16 0.518 -10.195 11.767 97 HA SER 16 HA SER 16 -0.158 -7.393 12.131 98 HB2 SER 16 1HB SER 16 0.251 -9.214 13.983 99 HB3 SER 16 2HB SER 16 1.946 -8.795 13.739 100 HG SER 16 HG SER 16 -0.034 -7.396 14.991 101 H PHE 17 H PHE 17 1.308 -8.251 9.741 102 HA PHE 17 HA PHE 17 3.982 -7.166 10.139 103 HB2 PHE 17 1HB PHE 17 4.159 -8.974 8.716 104 HB3 PHE 17 2HB PHE 17 2.604 -8.660 7.953 105 HD1 PHE 17 2HD PHE 17 2.419 -6.758 6.322 106 HD2 PHE 17 1HD PHE 17 6.155 -8.184 7.780 107 HE1 PHE 17 2HE PHE 17 3.564 -5.674 4.433 108 HE2 PHE 17 1HE PHE 17 7.307 -7.100 5.894 109 HZ PHE 17 HZ PHE 17 6.011 -5.845 4.217 110 H LYS 18 H LYS 18 4.464 -5.106 9.805 111 HA LYS 18 HA LYS 18 2.557 -3.443 8.304 112 HB2 LYS 18 1HB LYS 18 2.699 -2.498 10.420 113 HB3 LYS 18 2HB LYS 18 4.404 -2.892 10.594 114 HG2 LYS 18 1HG LYS 18 4.990 -1.148 9.006 115 HG3 LYS 18 2HG LYS 18 3.281 -0.773 8.771 116 HD2 LYS 18 1HD LYS 18 3.066 0.163 10.881 117 HD3 LYS 18 2HD LYS 18 4.465 -0.705 11.518 118 HE2 LYS 18 1HE LYS 18 4.575 1.523 9.485 119 HE3 LYS 18 2HE LYS 18 4.886 1.709 11.211 120 HZ1 LYS 18 1HZ LYS 18 6.968 1.491 10.149 121 HZ2 LYS 18 2HZ LYS 18 6.468 0.152 9.246 122 HZ3 LYS 18 3HZ LYS 18 6.684 0.011 10.918 123 H LEU 19 H LEU 19 3.153 -2.561 6.432 124 HA LEU 19 HA LEU 19 6.015 -2.600 5.732 125 HB2 LEU 19 1HB LEU 19 4.849 -4.138 4.343 126 HB3 LEU 19 2HB LEU 19 3.568 -2.972 4.023 127 HG LEU 19 HG LEU 19 5.380 -1.586 2.853 128 HD11 LEU 19 1HD1 LEU 19 7.040 -3.532 3.865 129 HD12 LEU 19 2HD1 LEU 19 7.441 -2.387 2.585 130 HD13 LEU 19 3HD1 LEU 19 6.854 -3.999 2.175 131 HD21 LEU 19 1HD2 LEU 19 3.523 -3.025 1.829 132 HD22 LEU 19 2HD2 LEU 19 4.795 -4.206 1.514 133 HD23 LEU 19 3HD2 LEU 19 4.893 -2.593 0.804 134 H SER 20 H SER 20 6.821 -0.872 4.436 135 HA SER 20 HA SER 20 5.145 1.543 4.403 136 HB2 SER 20 1HB SER 20 7.790 1.141 5.704 137 HB3 SER 20 2HB SER 20 7.532 2.671 4.867 138 HG SER 20 HG SER 20 6.456 1.751 7.213 139 H VAL 21 H VAL 21 4.957 2.242 2.390 140 HA VAL 21 HA VAL 21 7.015 1.556 0.426 141 HB VAL 21 HB VAL 21 4.347 2.843 -0.136 142 HG11 VAL 21 1HG1 VAL 21 6.444 2.604 -1.779 143 HG12 VAL 21 2HG1 VAL 21 5.696 1.028 -2.042 144 HG13 VAL 21 3HG1 VAL 21 4.774 2.503 -2.335 145 HG21 VAL 21 1HG2 VAL 21 5.026 -0.094 -0.007 146 HG22 VAL 21 2HG2 VAL 21 3.916 0.778 1.051 147 HG23 VAL 21 3HG2 VAL 21 3.527 0.572 -0.657 148 H THR 22 H THR 22 8.435 3.003 -0.279 149 HA THR 22 HA THR 22 8.296 5.734 0.642 150 HB THR 22 HB THR 22 10.353 4.655 -1.273 151 HG1 THR 22 1HG THR 22 9.985 4.105 1.455 152 HG21 THR 22 1HG2 THR 22 11.450 6.321 0.717 153 HG22 THR 22 2HG2 THR 22 9.964 7.102 0.175 154 HG23 THR 22 3HG2 THR 22 11.221 6.688 -0.992 155 H VAL 23 H VAL 23 6.685 6.818 -0.417 156 HA VAL 23 HA VAL 23 7.165 7.358 -3.251 157 HB VAL 23 HB VAL 23 4.573 6.349 -2.106 158 HG11 VAL 23 1HG1 VAL 23 4.998 8.293 -4.283 159 HG12 VAL 23 2HG1 VAL 23 3.884 6.971 -4.629 160 HG13 VAL 23 3HG1 VAL 23 3.594 8.033 -3.251 161 HG21 VAL 23 1HG2 VAL 23 5.146 4.496 -3.186 162 HG22 VAL 23 2HG2 VAL 23 5.148 5.389 -4.707 163 HG23 VAL 23 3HG2 VAL 23 6.626 5.267 -3.754 164 H ASP 24 H ASP 24 6.876 9.446 -3.791 165 HA ASP 24 HA ASP 24 6.762 11.463 -1.928 166 HB2 ASP 24 1HB ASP 24 5.810 11.604 -4.798 167 HB3 ASP 24 2HB ASP 24 6.242 12.983 -3.791 168 HA PRO 25 HA PRO 25 2.586 11.710 -0.567 169 HB2 PRO 25 1HB PRO 25 2.546 14.299 0.247 170 HB3 PRO 25 2HB PRO 25 3.378 13.023 1.143 171 HG2 PRO 25 1HG PRO 25 4.502 15.046 -0.756 172 HG3 PRO 25 2HG PRO 25 5.145 14.498 0.803 173 HD2 PRO 25 1HD PRO 25 6.091 13.585 -1.564 174 HD3 PRO 25 2HD PRO 25 6.049 12.580 -0.101 175 H LYS 26 H LYS 26 3.752 13.249 -3.294 176 HA LYS 26 HA LYS 26 1.503 14.925 -3.883 177 HB2 LYS 26 1HB LYS 26 2.524 15.115 -6.123 178 HB3 LYS 26 2HB LYS 26 3.677 15.440 -4.835 179 HG2 LYS 26 1HG LYS 26 4.534 13.134 -5.072 180 HG3 LYS 26 2HG LYS 26 3.438 12.902 -6.436 181 HD2 LYS 26 1HD LYS 26 4.591 14.419 -7.778 182 HD3 LYS 26 2HD LYS 26 5.372 15.192 -6.396 183 HE2 LYS 26 1HE LYS 26 6.853 13.382 -6.095 184 HE3 LYS 26 2HE LYS 26 5.911 12.334 -7.154 185 HZ1 LYS 26 1HZ LYS 26 8.088 13.513 -7.981 186 HZ2 LYS 26 2HZ LYS 26 7.023 14.790 -8.291 187 HZ3 LYS 26 3HZ LYS 26 6.771 13.283 -9.017 188 H TYR 27 H TYR 27 2.484 11.644 -4.685 189 HA TYR 27 HA TYR 27 0.187 11.270 -6.427 190 HB2 TYR 27 1HB TYR 27 2.254 9.243 -5.553 191 HB3 TYR 27 2HB TYR 27 1.108 9.075 -6.879 192 HD1 TYR 27 2HD TYR 27 1.392 11.847 -8.045 193 HD2 TYR 27 1HD TYR 27 4.295 9.034 -6.717 194 HE1 TYR 27 2HE TYR 27 3.035 12.820 -9.594 195 HE2 TYR 27 1HE TYR 27 5.947 10.001 -8.263 196 HH TYR 27 HH TYR 27 6.148 11.340 -10.141 197 H HIS 28 H HIS 28 1.002 10.870 -3.143 198 HA HIS 28 HA HIS 28 -0.353 8.675 -2.261 199 HB2 HIS 28 1HB HIS 28 0.215 11.345 -1.110 200 HB3 HIS 28 2HB HIS 28 -1.041 10.406 -0.308 201 HD2 HIS 28 2HD HIS 28 1.960 8.392 -1.693 202 HE1 HIS 28 1HE HIS 28 2.422 8.705 2.513 203 HE2 HIS 28 2HE HIS 28 3.321 7.689 0.391 204 HA PRO 29 HA PRO 29 -4.537 11.077 -2.122 205 HB2 PRO 29 1HB PRO 29 -4.622 13.516 -3.312 206 HB3 PRO 29 2HB PRO 29 -4.187 13.291 -1.615 207 HG2 PRO 29 1HG PRO 29 -2.408 13.691 -3.989 208 HG3 PRO 29 2HG PRO 29 -2.295 14.411 -2.373 209 HD2 PRO 29 1HD PRO 29 -0.765 12.315 -3.142 210 HD3 PRO 29 2HD PRO 29 -1.309 12.535 -1.467 211 H LYS 30 H LYS 30 -2.484 10.695 -4.769 212 HA LYS 30 HA LYS 30 -4.589 10.957 -6.769 213 HB2 LYS 30 1HB LYS 30 -1.640 10.355 -6.956 214 HB3 LYS 30 2HB LYS 30 -2.714 10.286 -8.346 215 HG2 LYS 30 1HG LYS 30 -2.524 12.751 -6.656 216 HG3 LYS 30 2HG LYS 30 -1.366 12.427 -7.949 217 HD2 LYS 30 1HD LYS 30 -3.095 12.411 -9.594 218 HD3 LYS 30 2HD LYS 30 -4.353 12.442 -8.355 219 HE2 LYS 30 1HE LYS 30 -2.361 14.649 -8.398 220 HE3 LYS 30 2HE LYS 30 -3.606 14.630 -9.645 221 HZ1 LYS 30 1HZ LYS 30 -4.166 14.490 -6.734 222 HZ2 LYS 30 2HZ LYS 30 -5.297 14.662 -7.979 223 HZ3 LYS 30 3HZ LYS 30 -4.214 15.918 -7.642 224 H ILE 31 H ILE 31 -2.894 8.524 -4.968 225 HA ILE 31 HA ILE 31 -3.708 6.340 -6.666 226 HB ILE 31 HB ILE 31 -2.612 6.213 -3.854 227 HG12 ILE 31 1HG1 ILE 31 -0.937 5.702 -6.272 228 HG13 ILE 31 2HG1 ILE 31 -1.264 7.374 -5.826 229 HG21 ILE 31 1HG2 ILE 31 -3.337 4.088 -4.174 230 HG22 ILE 31 2HG2 ILE 31 -3.265 4.209 -5.931 231 HG23 ILE 31 3HG2 ILE 31 -1.787 3.955 -5.004 232 HD11 ILE 31 1HD1 ILE 31 -0.296 5.529 -3.716 233 HD12 ILE 31 2HD1 ILE 31 0.849 6.093 -4.935 234 HD13 ILE 31 3HD1 ILE 31 -0.015 7.256 -3.929 235 H ILE 32 H ILE 32 -4.639 7.584 -3.472 236 HA ILE 32 HA ILE 32 -6.436 5.774 -2.587 237 HB ILE 32 HB ILE 32 -6.793 8.772 -2.594 238 HG12 ILE 32 1HG1 ILE 32 -5.819 6.927 -0.405 239 HG13 ILE 32 2HG1 ILE 32 -4.753 7.830 -1.475 240 HG21 ILE 32 1HG2 ILE 32 -8.383 8.456 -0.781 241 HG22 ILE 32 2HG2 ILE 32 -8.931 7.628 -2.238 242 HG23 ILE 32 3HG2 ILE 32 -8.213 6.707 -0.917 243 HD11 ILE 32 1HD1 ILE 32 -6.068 9.892 -0.631 244 HD12 ILE 32 2HD1 ILE 32 -6.541 8.826 0.692 245 HD13 ILE 32 3HD1 ILE 32 -4.835 9.162 0.399 246 H GLY 33 H GLY 33 -7.153 8.306 -4.986 247 HA2 GLY 33 1HA GLY 33 -8.498 7.572 -6.929 248 HA3 GLY 33 2HA GLY 33 -9.516 6.716 -5.780 249 H ARG 34 H ARG 34 -10.448 8.604 -7.672 250 HA ARG 34 HA ARG 34 -10.791 11.192 -6.699 251 HB2 ARG 34 1HB ARG 34 -12.618 9.510 -8.423 252 HB3 ARG 34 2HB ARG 34 -12.840 11.232 -8.141 253 HG2 ARG 34 1HG ARG 34 -10.705 11.707 -9.190 254 HG3 ARG 34 2HG ARG 34 -10.420 9.980 -9.421 255 HD2 ARG 34 1HD ARG 34 -12.161 9.798 -10.994 256 HD3 ARG 34 2HD ARG 34 -12.839 11.362 -10.544 257 HE ARG 34 HE ARG 34 -10.219 11.710 -11.519 258 HH11 ARG 34 1HH1 ARG 34 -13.427 10.906 -12.605 259 HH12 ARG 34 2HH1 ARG 34 -13.185 11.535 -14.201 260 HH21 ARG 34 1HH2 ARG 34 -9.888 12.541 -13.616 261 HH22 ARG 34 2HH2 ARG 34 -11.171 12.464 -14.775 262 H LYS 35 H LYS 35 -12.985 8.400 -6.375 263 HA LYS 35 HA LYS 35 -14.393 9.822 -4.228 264 HB2 LYS 35 1HB LYS 35 -15.663 8.849 -6.192 265 HB3 LYS 35 2HB LYS 35 -15.234 7.258 -5.579 266 HG2 LYS 35 1HG LYS 35 -17.386 7.650 -4.768 267 HG3 LYS 35 2HG LYS 35 -16.327 7.984 -3.396 268 HD2 LYS 35 1HD LYS 35 -16.467 10.375 -3.855 269 HD3 LYS 35 2HD LYS 35 -17.491 10.057 -5.257 270 HE2 LYS 35 1HE LYS 35 -18.181 9.315 -2.416 271 HE3 LYS 35 2HE LYS 35 -18.757 10.761 -3.245 272 HZ1 LYS 35 1HZ LYS 35 -19.661 9.164 -4.972 273 HZ2 LYS 35 2HZ LYS 35 -20.458 9.199 -3.481 274 HZ3 LYS 35 3HZ LYS 35 -19.393 7.935 -3.841 275 H GLY 36 H GLY 36 -12.178 7.283 -4.799 276 HA2 GLY 36 1HA GLY 36 -10.922 6.371 -2.972 277 HA3 GLY 36 2HA GLY 36 -12.348 6.533 -1.959 278 H ALA 37 H ALA 37 -13.242 5.362 -4.952 279 HA ALA 37 HA ALA 37 -13.742 2.736 -3.863 280 HB1 ALA 37 1HB ALA 37 -15.255 2.459 -5.547 281 HB2 ALA 37 2HB ALA 37 -15.210 4.221 -5.481 282 HB3 ALA 37 3HB ALA 37 -14.290 3.360 -6.716 283 H VAL 38 H VAL 38 -11.251 4.203 -5.621 284 HA VAL 38 HA VAL 38 -10.431 1.948 -7.178 285 HB VAL 38 HB VAL 38 -8.763 4.320 -6.335 286 HG11 VAL 38 1HG1 VAL 38 -8.479 2.427 -8.666 287 HG12 VAL 38 2HG1 VAL 38 -7.429 3.798 -8.302 288 HG13 VAL 38 3HG1 VAL 38 -7.488 2.414 -7.208 289 HG21 VAL 38 1HG2 VAL 38 -10.457 3.975 -8.807 290 HG22 VAL 38 2HG2 VAL 38 -10.835 5.030 -7.446 291 HG23 VAL 38 3HG2 VAL 38 -9.415 5.350 -8.442 292 H ILE 39 H ILE 39 -8.895 3.535 -4.372 293 HA ILE 39 HA ILE 39 -6.969 1.638 -3.840 294 HB ILE 39 HB ILE 39 -7.206 3.863 -2.705 295 HG12 ILE 39 1HG1 ILE 39 -6.596 2.782 -0.352 296 HG13 ILE 39 2HG1 ILE 39 -6.573 1.304 -1.308 297 HG21 ILE 39 1HG2 ILE 39 -9.159 2.387 -0.945 298 HG22 ILE 39 2HG2 ILE 39 -8.586 4.039 -0.724 299 HG23 ILE 39 3HG2 ILE 39 -9.587 3.632 -2.117 300 HD11 ILE 39 1HD1 ILE 39 -4.668 1.860 -2.351 301 HD12 ILE 39 2HD1 ILE 39 -5.094 3.568 -2.453 302 HD13 ILE 39 3HD1 ILE 39 -4.447 2.909 -0.951 303 H THR 40 H THR 40 -10.333 1.714 -2.740 304 HA THR 40 HA THR 40 -10.275 -0.437 -0.978 305 HB THR 40 HB THR 40 -12.654 -0.029 -2.751 306 HG1 THR 40 1HG THR 40 -12.749 2.002 -2.200 307 HG21 THR 40 1HG2 THR 40 -13.491 -1.381 -1.178 308 HG22 THR 40 2HG2 THR 40 -13.382 -0.011 -0.072 309 HG23 THR 40 3HG2 THR 40 -12.069 -1.185 -0.155 310 H GLN 41 H GLN 41 -10.481 -0.381 -4.482 311 HA GLN 41 HA GLN 41 -11.217 -3.066 -4.883 312 HB2 GLN 41 1HB GLN 41 -11.316 -1.327 -6.637 313 HB3 GLN 41 2HB GLN 41 -9.559 -1.291 -6.681 314 HG2 GLN 41 1HG GLN 41 -10.969 -3.875 -7.130 315 HG3 GLN 41 2HG GLN 41 -10.916 -2.680 -8.425 316 HE21 GLN 41 1HE2 GLN 41 -9.372 -5.273 -7.083 317 HE22 GLN 41 2HE2 GLN 41 -7.803 -5.056 -7.774 318 H ILE 42 H ILE 42 -7.998 -1.539 -5.018 319 HA ILE 42 HA ILE 42 -6.536 -3.896 -5.395 320 HB ILE 42 HB ILE 42 -5.625 -1.381 -3.992 321 HG12 ILE 42 1HG1 ILE 42 -5.055 -2.035 -6.860 322 HG13 ILE 42 2HG1 ILE 42 -6.603 -1.317 -6.429 323 HG21 ILE 42 1HG2 ILE 42 -4.015 -3.523 -5.375 324 HG22 ILE 42 2HG2 ILE 42 -3.382 -2.077 -4.591 325 HG23 ILE 42 3HG2 ILE 42 -4.166 -3.330 -3.629 326 HD11 ILE 42 1HD1 ILE 42 -3.914 -0.130 -5.787 327 HD12 ILE 42 2HD1 ILE 42 -4.940 0.339 -7.144 328 HD13 ILE 42 3HD1 ILE 42 -5.491 0.603 -5.490 329 H ARG 43 H ARG 43 -7.444 -2.192 -2.420 330 HA ARG 43 HA ARG 43 -6.037 -3.758 -0.597 331 HB2 ARG 43 1HB ARG 43 -8.623 -2.231 -0.356 332 HB3 ARG 43 2HB ARG 43 -7.902 -3.070 1.011 333 HG2 ARG 43 1HG ARG 43 -5.867 -1.715 0.743 334 HG3 ARG 43 2HG ARG 43 -6.646 -0.844 -0.580 335 HD2 ARG 43 1HD ARG 43 -7.757 -0.999 2.217 336 HD3 ARG 43 2HD ARG 43 -6.729 0.313 1.641 337 HE ARG 43 HE ARG 43 -8.706 0.284 -0.182 338 HH11 ARG 43 1HH1 ARG 43 -8.719 0.308 3.300 339 HH12 ARG 43 2HH1 ARG 43 -10.216 1.173 3.419 340 HH21 ARG 43 1HH2 ARG 43 -10.678 1.422 -0.038 341 HH22 ARG 43 2HH2 ARG 43 -11.329 1.805 1.520 342 H LEU 44 H LEU 44 -9.441 -4.094 -1.609 343 HA LEU 44 HA LEU 44 -9.963 -6.454 -0.197 344 HB2 LEU 44 1HB LEU 44 -11.183 -5.173 -2.612 345 HB3 LEU 44 2HB LEU 44 -11.736 -6.754 -2.063 346 HG LEU 44 HG LEU 44 -11.750 -4.290 -0.326 347 HD11 LEU 44 1HD1 LEU 44 -13.762 -5.343 -2.265 348 HD12 LEU 44 2HD1 LEU 44 -13.276 -3.679 -1.943 349 HD13 LEU 44 3HD1 LEU 44 -14.296 -4.537 -0.789 350 HD21 LEU 44 1HD2 LEU 44 -12.526 -5.604 1.298 351 HD22 LEU 44 2HD2 LEU 44 -11.979 -6.965 0.318 352 HD23 LEU 44 3HD2 LEU 44 -13.653 -6.417 0.213 353 H GLU 45 H GLU 45 -8.804 -5.946 -3.507 354 HA GLU 45 HA GLU 45 -8.868 -8.544 -4.445 355 HB2 GLU 45 1HB GLU 45 -8.298 -6.655 -5.871 356 HB3 GLU 45 2HB GLU 45 -6.800 -6.406 -4.983 357 HG2 GLU 45 1HG GLU 45 -5.764 -8.202 -5.948 358 HG3 GLU 45 2HG GLU 45 -7.279 -9.049 -6.257 359 H HIS 46 H HIS 46 -6.050 -6.938 -2.955 360 HA HIS 46 HA HIS 46 -4.712 -9.473 -2.599 361 HB2 HIS 46 1HB HIS 46 -3.957 -6.667 -1.764 362 HB3 HIS 46 2HB HIS 46 -2.929 -8.080 -1.540 363 HD1 HIS 46 1HD HIS 46 -2.147 -9.286 -3.814 364 HD2 HIS 46 2HD HIS 46 -3.753 -5.475 -4.211 365 HE1 HIS 46 1HE HIS 46 -1.445 -8.495 -6.096 366 H ASP 47 H ASP 47 -7.171 -8.084 -1.004 367 HA ASP 47 HA ASP 47 -8.040 -8.195 1.102 368 HB2 ASP 47 1HB ASP 47 -6.472 -10.734 0.823 369 HB3 ASP 47 2HB ASP 47 -7.255 -10.359 2.356 370 H VAL 48 H VAL 48 -6.090 -6.362 1.061 371 HA VAL 48 HA VAL 48 -4.756 -6.753 3.655 372 HB VAL 48 HB VAL 48 -2.829 -5.443 2.844 373 HG11 VAL 48 1HG1 VAL 48 -1.959 -7.466 2.556 374 HG12 VAL 48 2HG1 VAL 48 -3.530 -8.124 2.092 375 HG13 VAL 48 3HG1 VAL 48 -2.477 -7.405 0.872 376 HG21 VAL 48 1HG2 VAL 48 -4.493 -4.710 0.784 377 HG22 VAL 48 2HG2 VAL 48 -2.754 -4.427 0.853 378 HG23 VAL 48 3HG2 VAL 48 -3.385 -5.842 0.010 379 H ASN 49 H ASN 49 -3.952 -4.562 4.517 380 HA ASN 49 HA ASN 49 -6.066 -2.562 4.053 381 HB2 ASN 49 1HB ASN 49 -5.865 -3.776 6.340 382 HB3 ASN 49 2HB ASN 49 -4.467 -2.734 6.593 383 HD21 ASN 49 1HD2 ASN 49 -7.868 -2.586 5.614 384 HD22 ASN 49 2HD2 ASN 49 -8.213 -1.096 6.417 385 H ILE 50 H ILE 50 -5.442 -0.683 3.232 386 HA ILE 50 HA ILE 50 -2.614 0.102 3.514 387 HB ILE 50 HB ILE 50 -4.473 0.691 1.207 388 HG12 ILE 50 1HG1 ILE 50 -1.917 -0.871 1.040 389 HG13 ILE 50 2HG1 ILE 50 -3.403 -1.668 1.544 390 HG21 ILE 50 1HG2 ILE 50 -1.903 1.306 0.429 391 HG22 ILE 50 2HG2 ILE 50 -3.154 2.461 0.885 392 HG23 ILE 50 3HG2 ILE 50 -1.984 1.910 2.084 393 HD11 ILE 50 1HD1 ILE 50 -3.654 -2.050 -0.643 394 HD12 ILE 50 2HD1 ILE 50 -4.231 -0.383 -0.692 395 HD13 ILE 50 3HD1 ILE 50 -2.555 -0.749 -1.101 396 H GLN 51 H GLN 51 -2.139 2.224 3.996 397 HA GLN 51 HA GLN 51 -4.292 4.161 4.235 398 HB2 GLN 51 1HB GLN 51 -3.940 2.726 6.420 399 HB3 GLN 51 2HB GLN 51 -2.571 3.805 6.653 400 HG2 GLN 51 1HG GLN 51 -4.099 5.731 6.499 401 HG3 GLN 51 2HG GLN 51 -5.455 4.613 6.355 402 HE21 GLN 51 1HE2 GLN 51 -4.750 6.649 8.398 403 HE22 GLN 51 2HE2 GLN 51 -4.772 5.802 9.903 404 H PHE 52 H PHE 52 -3.580 6.313 4.340 405 HA PHE 52 HA PHE 52 -0.719 6.665 3.731 406 HB2 PHE 52 1HB PHE 52 -3.050 8.368 2.825 407 HB3 PHE 52 2HB PHE 52 -1.360 8.628 2.407 408 HD1 PHE 52 1HD PHE 52 -0.237 7.201 0.809 409 HD2 PHE 52 2HD PHE 52 -4.328 6.588 1.812 410 HE1 PHE 52 1HE PHE 52 -0.497 5.746 -1.158 411 HE2 PHE 52 2HE PHE 52 -4.595 5.132 -0.152 412 HZ PHE 52 HZ PHE 52 -2.679 4.708 -1.640 413 HA PRO 53 HA PRO 53 -0.286 9.272 7.238 414 HB2 PRO 53 1HB PRO 53 1.666 10.947 6.374 415 HB3 PRO 53 2HB PRO 53 1.969 9.260 6.804 416 HG2 PRO 53 1HG PRO 53 1.589 10.486 4.100 417 HG3 PRO 53 2HG PRO 53 2.772 9.271 4.622 418 HD2 PRO 53 1HD PRO 53 0.517 8.623 3.272 419 HD3 PRO 53 2HD PRO 53 1.252 7.545 4.477 420 H ASP 54 H ASP 54 -0.516 11.473 7.996 421 HA ASP 54 HA ASP 54 -2.158 13.102 6.174 422 HB2 ASP 54 1HB ASP 54 -2.993 12.140 8.496 423 HB3 ASP 54 2HB ASP 54 -2.152 13.554 9.126 424 H LYS 55 H LYS 55 -1.253 14.883 5.414 425 HA LYS 55 HA LYS 55 1.265 15.830 6.040 426 HB2 LYS 55 1HB LYS 55 -0.851 17.749 5.143 427 HB3 LYS 55 2HB LYS 55 0.825 17.621 4.627 428 HG2 LYS 55 1HG LYS 55 -0.012 15.291 3.703 429 HG3 LYS 55 2HG LYS 55 -1.567 16.128 3.707 430 HD2 LYS 55 1HD LYS 55 0.849 17.420 2.501 431 HD3 LYS 55 2HD LYS 55 -0.076 16.227 1.587 432 HE2 LYS 55 1HE LYS 55 -2.119 17.681 2.280 433 HE3 LYS 55 2HE LYS 55 -0.907 18.927 2.571 434 HZ1 LYS 55 1HZ LYS 55 -2.046 18.662 0.244 435 HZ2 LYS 55 2HZ LYS 55 -0.841 17.497 0.016 436 HZ3 LYS 55 3HZ LYS 55 -0.414 19.095 0.367 437 H ASP 56 H ASP 56 -1.867 16.910 7.307 438 HA ASP 56 HA ASP 56 -1.098 19.081 8.804 439 HB2 ASP 56 1HB ASP 56 -3.424 18.481 8.612 440 HB3 ASP 56 2HB ASP 56 -3.149 16.959 9.457 441 H ASP 57 H ASP 57 -0.878 15.659 9.670 442 HA ASP 57 HA ASP 57 -0.133 15.843 12.316 443 HB2 ASP 57 1HB ASP 57 -0.445 13.778 10.688 444 HB3 ASP 57 2HB ASP 57 1.310 13.887 10.581 445 H GLY 58 H GLY 58 2.248 15.342 9.705 446 HA2 GLY 58 1HA GLY 58 4.160 16.726 9.359 447 HA3 GLY 58 2HA GLY 58 4.002 17.302 11.012 448 H ASN 59 H ASN 59 4.687 15.937 12.738 449 HA ASN 59 HA ASN 59 7.120 14.850 12.635 450 HB2 ASN 59 1HB ASN 59 4.776 13.846 14.254 451 HB3 ASN 59 2HB ASN 59 6.432 13.311 14.520 452 HD21 ASN 59 1HD2 ASN 59 8.029 15.074 14.898 453 HD22 ASN 59 2HD2 ASN 59 7.519 16.412 15.866 454 H GLN 60 H GLN 60 4.183 13.257 11.570 455 HA GLN 60 HA GLN 60 5.509 10.738 11.079 456 HB2 GLN 60 1HB GLN 60 2.752 11.690 10.283 457 HB3 GLN 60 2HB GLN 60 3.344 10.041 10.138 458 HG2 GLN 60 1HG GLN 60 3.590 9.914 12.564 459 HG3 GLN 60 2HG GLN 60 2.993 11.566 12.708 460 HE21 GLN 60 1HE2 GLN 60 0.910 11.627 11.004 461 HE22 GLN 60 2HE2 GLN 60 -0.316 10.515 11.500 462 HA PRO 61 HA PRO 61 6.914 11.528 6.992 463 HB2 PRO 61 1HB PRO 61 6.826 9.017 5.966 464 HB3 PRO 61 2HB PRO 61 8.041 9.531 7.142 465 HG2 PRO 61 1HG PRO 61 5.514 7.989 7.582 466 HG3 PRO 61 2HG PRO 61 7.124 7.720 8.274 467 HD2 PRO 61 1HD PRO 61 5.139 8.953 9.641 468 HD3 PRO 61 2HD PRO 61 6.852 9.362 9.868 469 H GLN 62 H GLN 62 5.902 12.378 5.292 470 HA GLN 62 HA GLN 62 3.149 11.610 4.733 471 HB2 GLN 62 1HB GLN 62 4.784 13.791 3.435 472 HB3 GLN 62 2HB GLN 62 3.038 13.596 3.374 473 HG2 GLN 62 1HG GLN 62 4.718 14.355 5.745 474 HG3 GLN 62 2HG GLN 62 3.520 15.340 4.906 475 HE21 GLN 62 1HE2 GLN 62 3.880 14.207 7.730 476 HE22 GLN 62 2HE2 GLN 62 2.324 13.555 8.100 477 H ASP 63 H ASP 63 6.271 10.953 3.579 478 HA ASP 63 HA ASP 63 5.315 10.209 0.914 479 HB2 ASP 63 1HB ASP 63 7.543 10.186 0.209 480 HB3 ASP 63 2HB ASP 63 7.512 11.504 1.377 481 H GLN 64 H GLN 64 5.514 8.843 3.900 482 HA GLN 64 HA GLN 64 6.231 6.176 2.922 483 HB2 GLN 64 1HB GLN 64 5.850 7.275 5.707 484 HB3 GLN 64 2HB GLN 64 6.114 5.569 5.370 485 HG2 GLN 64 1HG GLN 64 8.051 7.539 4.279 486 HG3 GLN 64 2HG GLN 64 8.095 7.175 6.003 487 HE21 GLN 64 1HE2 GLN 64 8.291 5.767 2.792 488 HE22 GLN 64 2HE2 GLN 64 9.213 4.380 3.252 489 H ILE 65 H ILE 65 4.775 4.593 2.654 490 HA ILE 65 HA ILE 65 1.990 5.171 3.426 491 HB ILE 65 HB ILE 65 2.815 3.250 1.260 492 HG12 ILE 65 1HG1 ILE 65 1.883 6.064 0.743 493 HG13 ILE 65 2HG1 ILE 65 3.592 5.693 0.928 494 HG21 ILE 65 1HG2 ILE 65 0.294 4.262 2.365 495 HG22 ILE 65 2HG2 ILE 65 0.375 4.243 0.604 496 HG23 ILE 65 3HG2 ILE 65 0.639 2.757 1.515 497 HD11 ILE 65 1HD1 ILE 65 2.113 4.007 -0.975 498 HD12 ILE 65 2HD1 ILE 65 2.316 5.701 -1.424 499 HD13 ILE 65 3HD1 ILE 65 3.729 4.703 -1.084 500 H THR 66 H THR 66 1.476 4.083 5.208 501 HA THR 66 HA THR 66 2.757 1.610 5.927 502 HB THR 66 HB THR 66 0.287 2.568 7.314 503 HG1 THR 66 1HG THR 66 2.803 3.725 7.892 504 HG21 THR 66 1HG2 THR 66 1.763 1.948 9.299 505 HG22 THR 66 2HG2 THR 66 2.878 1.263 8.117 506 HG23 THR 66 3HG2 THR 66 1.239 0.626 8.258 507 H ILE 67 H ILE 67 2.049 -0.415 5.620 508 HA ILE 67 HA ILE 67 -0.733 -0.844 4.797 509 HB ILE 67 HB ILE 67 1.629 -2.083 3.381 510 HG12 ILE 67 1HG1 ILE 67 -0.347 -0.045 2.336 511 HG13 ILE 67 2HG1 ILE 67 1.276 0.350 2.892 512 HG21 ILE 67 1HG2 ILE 67 0.076 -3.158 1.965 513 HG22 ILE 67 2HG2 ILE 67 -0.500 -3.433 3.608 514 HG23 ILE 67 3HG2 ILE 67 -1.270 -2.210 2.597 515 HD11 ILE 67 1HD1 ILE 67 1.030 0.147 0.424 516 HD12 ILE 67 2HD1 ILE 67 2.263 -0.900 1.127 517 HD13 ILE 67 3HD1 ILE 67 0.701 -1.570 0.653 518 H THR 68 H THR 68 -1.661 -2.451 5.880 519 HA THR 68 HA THR 68 0.068 -4.295 7.382 520 HB THR 68 HB THR 68 -2.865 -4.037 7.922 521 HG1 THR 68 1HG THR 68 -2.505 -2.228 9.173 522 HG21 THR 68 1HG2 THR 68 -0.403 -4.806 9.447 523 HG22 THR 68 2HG2 THR 68 -1.910 -5.699 9.238 524 HG23 THR 68 3HG2 THR 68 -1.858 -4.293 10.301 525 H GLY 69 H GLY 69 -0.464 -6.531 7.487 526 HA2 GLY 69 1HA GLY 69 -2.288 -8.140 6.616 527 HA3 GLY 69 2HA GLY 69 -1.838 -7.465 5.058 528 H TYR 70 H TYR 70 -1.575 -9.998 4.976 529 HA TYR 70 HA TYR 70 0.630 -11.254 6.125 530 HB2 TYR 70 1HB TYR 70 -0.743 -11.755 3.480 531 HB3 TYR 70 2HB TYR 70 0.475 -12.824 4.166 532 HD1 TYR 70 2HD TYR 70 -0.016 -13.682 6.592 533 HD2 TYR 70 1HD TYR 70 -2.979 -12.131 3.960 534 HE1 TYR 70 2HE TYR 70 -1.759 -14.850 7.875 535 HE2 TYR 70 1HE TYR 70 -4.730 -13.294 5.236 536 HH TYR 70 HH TYR 70 -4.274 -14.536 8.273 537 H GLU 71 H GLU 71 2.738 -10.959 5.892 538 HA GLU 71 HA GLU 71 4.060 -9.046 4.581 539 HB2 GLU 71 1HB GLU 71 5.219 -10.585 6.041 540 HB3 GLU 71 2HB GLU 71 4.978 -11.907 4.906 541 HG2 GLU 71 1HG GLU 71 6.483 -10.952 3.341 542 HG3 GLU 71 2HG GLU 71 6.562 -9.441 4.245 543 H LYS 72 H LYS 72 2.773 -11.940 3.107 544 HA LYS 72 HA LYS 72 4.093 -11.581 0.590 545 HB2 LYS 72 1HB LYS 72 2.004 -13.401 1.679 546 HB3 LYS 72 2HB LYS 72 2.082 -13.208 -0.068 547 HG2 LYS 72 1HG LYS 72 4.565 -13.829 1.469 548 HG3 LYS 72 2HG LYS 72 3.412 -15.112 1.091 549 HD2 LYS 72 1HD LYS 72 3.564 -14.469 -1.304 550 HD3 LYS 72 2HD LYS 72 4.817 -13.302 -0.873 551 HE2 LYS 72 1HE LYS 72 6.067 -15.268 0.154 552 HE3 LYS 72 2HE LYS 72 4.912 -16.301 -0.687 553 HZ1 LYS 72 1HZ LYS 72 5.917 -14.409 -2.499 554 HZ2 LYS 72 2HZ LYS 72 6.099 -16.090 -2.526 555 HZ3 LYS 72 3HZ LYS 72 7.228 -15.131 -1.710 556 H ASN 73 H ASN 73 0.616 -11.466 1.398 557 HA ASN 73 HA ASN 73 -0.286 -10.272 -0.909 558 HB2 ASN 73 1HB ASN 73 -1.339 -9.825 1.894 559 HB3 ASN 73 2HB ASN 73 -2.222 -9.502 0.404 560 HD21 ASN 73 1HD2 ASN 73 -3.660 -11.007 1.747 561 HD22 ASN 73 2HD2 ASN 73 -3.519 -12.691 1.386 562 H THR 74 H THR 74 0.869 -8.675 2.042 563 HA THR 74 HA THR 74 0.377 -6.039 1.394 564 HB THR 74 HB THR 74 2.462 -5.520 2.769 565 HG1 THR 74 1HG THR 74 2.434 -8.269 3.422 566 HG21 THR 74 1HG2 THR 74 1.365 -5.967 4.793 567 HG22 THR 74 2HG2 THR 74 0.613 -7.434 4.166 568 HG23 THR 74 3HG2 THR 74 0.062 -5.853 3.612 569 H GLU 75 H GLU 75 3.212 -8.005 0.541 570 HA GLU 75 HA GLU 75 4.626 -5.969 -0.794 571 HB2 GLU 75 1HB GLU 75 4.706 -8.974 -1.074 572 HB3 GLU 75 2HB GLU 75 5.811 -7.899 -1.917 573 HG2 GLU 75 1HG GLU 75 5.525 -7.817 1.062 574 HG3 GLU 75 2HG GLU 75 6.593 -8.972 0.267 575 H ALA 76 H ALA 76 2.154 -8.225 -1.862 576 HA ALA 76 HA ALA 76 2.420 -7.703 -4.643 577 HB1 ALA 76 1HB ALA 76 1.245 -9.668 -3.416 578 HB2 ALA 76 2HB ALA 76 -0.156 -8.596 -3.417 579 HB3 ALA 76 3HB ALA 76 0.588 -9.077 -4.943 580 H ALA 77 H ALA 77 0.350 -6.377 -2.097 581 HA ALA 77 HA ALA 77 -1.119 -4.676 -3.868 582 HB1 ALA 77 1HB ALA 77 -1.702 -5.600 -1.466 583 HB2 ALA 77 2HB ALA 77 -0.956 -4.085 -0.959 584 HB3 ALA 77 3HB ALA 77 -2.348 -4.063 -2.043 585 H ARG 78 H ARG 78 1.677 -4.287 -1.756 586 HA ARG 78 HA ARG 78 1.871 -1.473 -1.974 587 HB2 ARG 78 1HB ARG 78 3.823 -1.656 -0.766 588 HB3 ARG 78 2HB ARG 78 3.033 -3.168 -0.338 589 HG2 ARG 78 1HG ARG 78 5.090 -3.974 -0.831 590 HG3 ARG 78 2HG ARG 78 4.388 -4.032 -2.449 591 HD2 ARG 78 1HD ARG 78 5.333 -1.705 -2.788 592 HD3 ARG 78 2HD ARG 78 6.239 -1.959 -1.297 593 HE ARG 78 HE ARG 78 6.570 -4.019 -3.297 594 HH11 ARG 78 1HH1 ARG 78 7.750 -1.014 -1.994 595 HH12 ARG 78 2HH1 ARG 78 9.346 -1.211 -2.640 596 HH21 ARG 78 1HH2 ARG 78 8.666 -4.289 -4.152 597 HH22 ARG 78 2HH2 ARG 78 9.866 -3.074 -3.868 598 H ASP 79 H ASP 79 2.797 -4.076 -4.052 599 HA ASP 79 HA ASP 79 4.786 -2.752 -5.562 600 HB2 ASP 79 1HB ASP 79 4.343 -5.230 -5.549 601 HB3 ASP 79 2HB ASP 79 2.921 -4.920 -6.542 602 H ALA 80 H ALA 80 1.304 -2.701 -5.648 603 HA ALA 80 HA ALA 80 1.005 -1.598 -8.245 604 HB1 ALA 80 1HB ALA 80 -1.164 -1.870 -7.835 605 HB2 ALA 80 2HB ALA 80 -0.700 -2.540 -6.271 606 HB3 ALA 80 3HB ALA 80 -1.098 -0.828 -6.414 607 H ILE 81 H ILE 81 0.789 -0.081 -5.020 608 HA ILE 81 HA ILE 81 0.383 2.517 -5.649 609 HB ILE 81 HB ILE 81 2.373 1.524 -3.606 610 HG12 ILE 81 1HG1 ILE 81 -0.499 2.347 -3.180 611 HG13 ILE 81 2HG1 ILE 81 -0.019 0.678 -3.469 612 HG21 ILE 81 1HG2 ILE 81 1.128 3.928 -2.800 613 HG22 ILE 81 2HG2 ILE 81 2.830 3.649 -3.169 614 HG23 ILE 81 3HG2 ILE 81 1.726 4.169 -4.442 615 HD11 ILE 81 1HD1 ILE 81 -0.062 0.689 -1.200 616 HD12 ILE 81 2HD1 ILE 81 1.613 1.178 -1.458 617 HD13 ILE 81 3HD1 ILE 81 0.387 2.390 -1.085 618 H LEU 82 H LEU 82 3.396 0.743 -6.024 619 HA LEU 82 HA LEU 82 4.894 3.079 -6.802 620 HB2 LEU 82 1HB LEU 82 5.652 0.184 -7.128 621 HB3 LEU 82 2HB LEU 82 6.730 1.578 -7.151 622 HG LEU 82 HG LEU 82 5.174 0.691 -4.726 623 HD11 LEU 82 1HD1 LEU 82 7.702 0.125 -4.093 624 HD12 LEU 82 2HD1 LEU 82 7.775 -0.188 -5.827 625 HD13 LEU 82 3HD1 LEU 82 6.613 -1.054 -4.823 626 HD21 LEU 82 1HD2 LEU 82 5.701 2.914 -4.375 627 HD22 LEU 82 2HD2 LEU 82 7.208 2.811 -5.285 628 HD23 LEU 82 3HD2 LEU 82 7.096 2.092 -3.678 629 H ARG 83 H ARG 83 3.842 0.108 -8.472 630 HA ARG 83 HA ARG 83 4.681 0.515 -10.998 631 HB2 ARG 83 1HB ARG 83 3.007 -1.249 -9.946 632 HB3 ARG 83 2HB ARG 83 1.802 -0.211 -10.697 633 HG2 ARG 83 1HG ARG 83 3.386 -0.489 -12.792 634 HG3 ARG 83 2HG ARG 83 3.840 -1.968 -11.943 635 HD2 ARG 83 1HD ARG 83 1.616 -2.777 -11.975 636 HD3 ARG 83 2HD ARG 83 0.979 -1.210 -12.475 637 HE ARG 83 HE ARG 83 2.728 -2.024 -14.458 638 HH11 ARG 83 1HH1 ARG 83 -0.239 -3.150 -13.028 639 HH12 ARG 83 2HH1 ARG 83 -0.793 -3.928 -14.473 640 HH21 ARG 83 1HH2 ARG 83 2.009 -3.044 -16.368 641 HH22 ARG 83 2HH2 ARG 83 0.486 -3.868 -16.373 642 H ILE 84 H ILE 84 1.739 1.970 -9.622 643 HA ILE 84 HA ILE 84 0.972 3.411 -11.901 644 HB ILE 84 HB ILE 84 0.489 4.165 -9.016 645 HG12 ILE 84 1HG1 ILE 84 -1.497 2.734 -10.739 646 HG13 ILE 84 2HG1 ILE 84 -0.215 1.812 -9.963 647 HG21 ILE 84 1HG2 ILE 84 -1.571 5.231 -10.019 648 HG22 ILE 84 2HG2 ILE 84 -0.038 6.026 -10.372 649 HG23 ILE 84 3HG2 ILE 84 -0.807 5.012 -11.593 650 HD11 ILE 84 1HD1 ILE 84 -1.279 1.841 -8.024 651 HD12 ILE 84 2HD1 ILE 84 -1.484 3.592 -8.091 652 HD13 ILE 84 3HD1 ILE 84 -2.660 2.536 -8.873 653 H VAL 85 H VAL 85 2.752 4.538 -9.022 654 HA VAL 85 HA VAL 85 3.225 7.133 -9.628 655 HB VAL 85 HB VAL 85 5.260 5.192 -8.526 656 HG11 VAL 85 1HG1 VAL 85 5.340 8.095 -9.009 657 HG12 VAL 85 2HG1 VAL 85 5.879 7.572 -7.411 658 HG13 VAL 85 3HG1 VAL 85 6.656 6.929 -8.860 659 HG21 VAL 85 1HG2 VAL 85 4.043 7.014 -6.645 660 HG22 VAL 85 2HG2 VAL 85 2.825 6.037 -7.467 661 HG23 VAL 85 3HG2 VAL 85 4.146 5.253 -6.599 662 H GLY 86 H GLY 86 5.496 4.539 -10.574 663 HA2 GLY 86 1HA GLY 86 7.292 5.810 -12.091 664 HA3 GLY 86 2HA GLY 86 6.612 4.270 -12.597 665 H GLU 87 H GLU 87 3.943 5.289 -13.038 666 HA GLU 87 HA GLU 87 4.381 6.390 -15.680 667 HB2 GLU 87 1HB GLU 87 1.638 6.010 -14.585 668 HB3 GLU 87 2HB GLU 87 2.258 5.682 -16.197 669 HG2 GLU 87 1HG GLU 87 2.595 4.018 -13.721 670 HG3 GLU 87 2HG GLU 87 1.738 3.599 -15.204 671 H LEU 88 H LEU 88 2.317 7.284 -12.908 672 HA LEU 88 HA LEU 88 1.301 9.652 -13.646 673 HB2 LEU 88 1HB LEU 88 2.674 9.360 -10.987 674 HB3 LEU 88 2HB LEU 88 1.256 10.333 -11.375 675 HG LEU 88 HG LEU 88 1.371 7.318 -11.266 676 HD11 LEU 88 1HD1 LEU 88 1.020 7.572 -9.092 677 HD12 LEU 88 2HD1 LEU 88 -0.513 8.356 -9.475 678 HD13 LEU 88 3HD1 LEU 88 0.944 9.326 -9.259 679 HD21 LEU 88 1HD2 LEU 88 -0.812 7.232 -11.958 680 HD22 LEU 88 2HD2 LEU 88 -0.224 8.583 -12.926 681 HD23 LEU 88 3HD2 LEU 88 -1.154 8.888 -11.458 682 H GLU 89 H GLU 89 4.630 9.184 -12.516 683 HA GLU 89 HA GLU 89 5.509 11.790 -12.447 684 HB2 GLU 89 1HB GLU 89 6.729 9.484 -12.012 685 HB3 GLU 89 2HB GLU 89 7.299 9.729 -13.657 686 HG2 GLU 89 1HG GLU 89 7.631 11.730 -11.437 687 HG3 GLU 89 2HG GLU 89 8.850 10.546 -11.902 688 H GLN 90 H GLN 90 5.571 9.602 -15.257 689 HA GLN 90 HA GLN 90 6.657 11.340 -17.117 690 HB2 GLN 90 1HB GLN 90 5.942 8.819 -17.285 691 HB3 GLN 90 2HB GLN 90 4.450 9.490 -17.931 692 HG2 GLN 90 1HG GLN 90 5.890 10.745 -19.587 693 HG3 GLN 90 2HG GLN 90 7.225 9.729 -19.047 694 HE21 GLN 90 1HE2 GLN 90 7.547 8.559 -20.857 695 HE22 GLN 90 2HE2 GLN 90 6.376 7.493 -21.549 696 H MET 91 H MET 91 3.233 10.860 -16.290 697 HA MET 91 HA MET 91 2.095 12.602 -18.118 698 HB2 MET 91 1HB MET 91 1.278 11.797 -15.336 699 HB3 MET 91 2HB MET 91 0.301 12.898 -16.297 700 HG2 MET 91 1HG MET 91 -0.707 10.947 -16.846 701 HG3 MET 91 2HG MET 91 0.542 10.974 -18.090 702 HE1 MET 91 1HE MET 91 0.572 7.593 -18.015 703 HE2 MET 91 2HE MET 91 0.999 9.111 -18.803 704 HE3 MET 91 3HE MET 91 2.253 8.125 -18.050 705 H SER 92 H SER 92 2.058 14.745 -18.363 706 HA SER 92 HA SER 92 2.606 16.938 -18.072 707 HB2 SER 92 1HB SER 92 0.704 16.495 -16.365 708 HB3 SER 92 2HB SER 92 1.978 16.593 -15.150 709 HG SER 92 HG SER 92 0.705 18.594 -16.030 710 H GLY 93 H GLY 93 4.826 15.331 -18.054 711 HA2 GLY 93 1HA GLY 93 6.506 16.596 -15.976 712 HA3 GLY 93 2HA GLY 93 6.778 14.959 -16.552 713 HA PRO 94 HA PRO 94 9.452 17.977 -18.930 714 HB2 PRO 94 1HB PRO 94 11.811 16.761 -18.359 715 HB3 PRO 94 2HB PRO 94 11.101 18.011 -17.330 716 HG2 PRO 94 1HG PRO 94 11.037 15.035 -17.014 717 HG3 PRO 94 2HG PRO 94 11.311 16.285 -15.787 718 HD2 PRO 94 1HD PRO 94 8.919 15.055 -16.106 719 HD3 PRO 94 2HD PRO 94 9.061 16.741 -15.570 720 H SER 95 H SER 95 10.880 17.456 -20.760 721 HA SER 95 HA SER 95 9.803 15.458 -22.406 722 HB2 SER 95 1HB SER 95 10.972 17.520 -23.208 723 HB3 SER 95 2HB SER 95 12.502 16.792 -22.716 724 HG SER 95 HG SER 95 10.684 15.776 -24.646 725 H SER 96 H SER 96 9.891 13.414 -21.588 726 HA SER 96 HA SER 96 12.540 12.323 -20.921 727 HB2 SER 96 1HB SER 96 9.778 11.266 -20.269 728 HB3 SER 96 2HB SER 96 11.294 10.491 -19.811 729 HG SER 96 HG SER 96 10.094 12.091 -18.318 730 H GLY 97 H GLY 97 13.253 10.380 -21.835 731 HA2 GLY 97 1HA GLY 97 12.056 9.814 -24.452 732 HA3 GLY 97 2HA GLY 97 13.678 9.372 -23.941 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.866 -36.712 4.226 2 HA2 GLY 1 1HA GLY 1 3.193 -34.682 3.297 3 HA3 GLY 1 2HA GLY 1 1.518 -35.148 3.555 4 H SER 2 H SER 2 0.446 -34.125 5.110 5 HA SER 2 HA SER 2 1.949 -32.402 6.926 6 HB2 SER 2 1HB SER 2 -0.287 -31.410 7.426 7 HB3 SER 2 2HB SER 2 0.142 -31.331 5.718 8 HG SER 2 HG SER 2 -1.726 -33.000 7.006 9 H SER 3 H SER 3 -0.678 -34.800 7.082 10 HA SER 3 HA SER 3 -1.421 -36.142 8.763 11 HB2 SER 3 1HB SER 3 1.017 -36.892 8.494 12 HB3 SER 3 2HB SER 3 1.347 -35.952 9.948 13 HG SER 3 HG SER 3 0.268 -37.366 11.130 14 H GLY 4 H GLY 4 -2.066 -33.516 9.144 15 HA2 GLY 4 1HA GLY 4 -3.222 -32.632 11.050 16 HA3 GLY 4 2HA GLY 4 -1.982 -33.332 12.080 17 H SER 5 H SER 5 -1.240 -31.577 13.142 18 HA SER 5 HA SER 5 -0.161 -29.385 11.493 19 HB2 SER 5 1HB SER 5 -0.557 -27.915 13.498 20 HB3 SER 5 2HB SER 5 -2.029 -28.520 12.738 21 HG SER 5 HG SER 5 -0.905 -29.150 15.211 22 H SER 6 H SER 6 0.187 -31.113 14.580 23 HA SER 6 HA SER 6 1.990 -31.458 15.937 24 HB2 SER 6 1HB SER 6 4.047 -32.197 14.754 25 HB3 SER 6 2HB SER 6 2.590 -32.962 14.118 26 HG SER 6 HG SER 6 4.333 -31.199 12.914 27 H GLY 7 H GLY 7 1.379 -28.783 15.768 28 HA2 GLY 7 1HA GLY 7 3.666 -27.545 16.750 29 HA3 GLY 7 2HA GLY 7 3.571 -27.138 15.042 30 H GLU 8 H GLU 8 3.489 -24.995 16.419 31 HA GLU 8 HA GLU 8 0.652 -24.332 16.863 32 HB2 GLU 8 1HB GLU 8 3.163 -23.426 18.206 33 HB3 GLU 8 2HB GLU 8 1.805 -22.312 18.114 34 HG2 GLU 8 1HG GLU 8 1.535 -23.356 20.167 35 HG3 GLU 8 2HG GLU 8 0.416 -24.214 19.109 36 H GLN 9 H GLN 9 -0.144 -23.349 15.124 37 HA GLN 9 HA GLN 9 1.350 -22.059 13.141 38 HB2 GLN 9 1HB GLN 9 -1.544 -22.161 13.863 39 HB3 GLN 9 2HB GLN 9 -1.016 -20.956 12.696 40 HG2 GLN 9 1HG GLN 9 0.116 -22.939 11.499 41 HG3 GLN 9 2HG GLN 9 -0.953 -23.936 12.485 42 HE21 GLN 9 1HE2 GLN 9 -0.731 -21.689 9.867 43 HE22 GLN 9 2HE2 GLN 9 -2.357 -21.855 9.309 44 H GLU 10 H GLU 10 2.149 -20.061 12.939 45 HA GLU 10 HA GLU 10 1.560 -18.136 15.081 46 HB2 GLU 10 1HB GLU 10 3.710 -17.050 13.951 47 HB3 GLU 10 2HB GLU 10 3.833 -18.311 15.169 48 HG2 GLU 10 1HG GLU 10 3.772 -18.941 12.239 49 HG3 GLU 10 2HG GLU 10 5.267 -18.538 13.081 50 H ASP 11 H ASP 11 -0.473 -17.771 13.775 51 HA ASP 11 HA ASP 11 -0.200 -16.315 11.307 52 HB2 ASP 11 1HB ASP 11 -2.732 -15.913 11.771 53 HB3 ASP 11 2HB ASP 11 -2.179 -17.534 11.364 54 H ARG 12 H ARG 12 -1.005 -15.537 14.667 55 HA ARG 12 HA ARG 12 -1.730 -12.908 14.476 56 HB2 ARG 12 1HB ARG 12 -0.894 -12.610 16.741 57 HB3 ARG 12 2HB ARG 12 -1.671 -14.180 16.585 58 HG2 ARG 12 1HG ARG 12 0.499 -15.260 16.409 59 HG3 ARG 12 2HG ARG 12 1.299 -13.690 16.513 60 HD2 ARG 12 1HD ARG 12 1.415 -14.585 18.683 61 HD3 ARG 12 2HD ARG 12 0.108 -13.403 18.740 62 HE ARG 12 HE ARG 12 -1.351 -15.104 19.194 63 HH11 ARG 12 1HH1 ARG 12 1.584 -16.451 17.894 64 HH12 ARG 12 2HH1 ARG 12 1.115 -18.093 18.188 65 HH21 ARG 12 1HH2 ARG 12 -1.979 -17.261 19.587 66 HH22 ARG 12 2HH2 ARG 12 -0.913 -18.552 19.151 67 H ALA 13 H ALA 13 1.417 -14.288 13.977 68 HA ALA 13 HA ALA 13 2.798 -11.753 14.084 69 HB1 ALA 13 1HB ALA 13 3.701 -14.156 14.612 70 HB2 ALA 13 2HB ALA 13 4.019 -14.189 12.878 71 HB3 ALA 13 3HB ALA 13 4.752 -12.941 13.886 72 H LEU 14 H LEU 14 1.654 -13.992 11.603 73 HA LEU 14 HA LEU 14 2.812 -12.681 9.391 74 HB2 LEU 14 1HB LEU 14 0.414 -14.481 9.640 75 HB3 LEU 14 2HB LEU 14 1.009 -13.879 8.094 76 HG LEU 14 HG LEU 14 2.736 -15.484 9.961 77 HD11 LEU 14 1HD1 LEU 14 0.441 -16.488 8.922 78 HD12 LEU 14 2HD1 LEU 14 1.885 -17.439 9.264 79 HD13 LEU 14 3HD1 LEU 14 1.588 -16.846 7.630 80 HD21 LEU 14 1HD2 LEU 14 3.047 -14.225 7.370 81 HD22 LEU 14 2HD2 LEU 14 3.415 -15.949 7.316 82 HD23 LEU 14 3HD2 LEU 14 4.265 -14.900 8.452 83 H ARG 15 H ARG 15 -0.211 -12.226 11.119 84 HA ARG 15 HA ARG 15 -1.225 -10.319 9.202 85 HB2 ARG 15 1HB ARG 15 -3.094 -10.061 10.763 86 HB3 ARG 15 2HB ARG 15 -2.773 -11.759 10.434 87 HG2 ARG 15 1HG ARG 15 -3.032 -11.859 12.686 88 HG3 ARG 15 2HG ARG 15 -1.299 -11.531 12.616 89 HD2 ARG 15 1HD ARG 15 -1.694 -9.175 12.987 90 HD3 ARG 15 2HD ARG 15 -3.437 -9.429 12.932 91 HE ARG 15 HE ARG 15 -1.704 -9.870 15.162 92 HH11 ARG 15 1HH1 ARG 15 -4.656 -10.906 13.635 93 HH12 ARG 15 2HH1 ARG 15 -5.367 -11.488 15.104 94 HH21 ARG 15 1HH2 ARG 15 -2.628 -10.631 17.104 95 HH22 ARG 15 2HH2 ARG 15 -4.212 -11.330 17.076 96 H SER 16 H SER 16 0.796 -10.264 11.962 97 HA SER 16 HA SER 16 0.324 -7.446 12.514 98 HB2 SER 16 1HB SER 16 0.683 -8.990 14.400 99 HB3 SER 16 2HB SER 16 2.284 -9.382 13.772 100 HG SER 16 HG SER 16 2.607 -7.811 15.268 101 H PHE 17 H PHE 17 1.402 -8.261 9.927 102 HA PHE 17 HA PHE 17 4.170 -7.340 10.014 103 HB2 PHE 17 1HB PHE 17 4.011 -9.157 8.566 104 HB3 PHE 17 2HB PHE 17 2.449 -8.644 7.934 105 HD1 PHE 17 2HD PHE 17 2.326 -6.811 6.288 106 HD2 PHE 17 1HD PHE 17 6.046 -8.405 7.607 107 HE1 PHE 17 2HE PHE 17 3.449 -5.780 4.357 108 HE2 PHE 17 1HE PHE 17 7.175 -7.374 5.678 109 HZ PHE 17 HZ PHE 17 5.875 -6.061 4.050 110 H LYS 18 H LYS 18 4.617 -5.258 9.832 111 HA LYS 18 HA LYS 18 2.671 -3.495 8.512 112 HB2 LYS 18 1HB LYS 18 3.160 -2.890 10.813 113 HB3 LYS 18 2HB LYS 18 4.886 -2.873 10.473 114 HG2 LYS 18 1HG LYS 18 4.742 -0.911 9.222 115 HG3 LYS 18 2HG LYS 18 2.995 -1.064 9.015 116 HD2 LYS 18 1HD LYS 18 2.539 -0.236 11.096 117 HD3 LYS 18 2HD LYS 18 4.053 -0.828 11.783 118 HE2 LYS 18 1HE LYS 18 5.290 0.945 10.798 119 HE3 LYS 18 2HE LYS 18 3.925 1.427 9.792 120 HZ1 LYS 18 1HZ LYS 18 2.729 2.031 11.834 121 HZ2 LYS 18 2HZ LYS 18 4.148 2.929 11.636 122 HZ3 LYS 18 3HZ LYS 18 4.101 1.655 12.747 123 H LEU 19 H LEU 19 3.132 -2.773 6.548 124 HA LEU 19 HA LEU 19 5.936 -2.795 5.660 125 HB2 LEU 19 1HB LEU 19 4.701 -4.227 4.274 126 HB3 LEU 19 2HB LEU 19 3.339 -3.110 4.195 127 HG LEU 19 HG LEU 19 4.958 -1.568 2.912 128 HD11 LEU 19 1HD1 LEU 19 6.332 -3.988 1.959 129 HD12 LEU 19 2HD1 LEU 19 6.813 -3.417 3.556 130 HD13 LEU 19 3HD1 LEU 19 6.933 -2.342 2.163 131 HD21 LEU 19 1HD2 LEU 19 3.841 -2.213 1.089 132 HD22 LEU 19 2HD2 LEU 19 3.079 -3.409 2.137 133 HD23 LEU 19 3HD2 LEU 19 4.482 -3.855 1.166 134 H SER 20 H SER 20 6.739 -1.044 4.431 135 HA SER 20 HA SER 20 5.136 1.418 4.527 136 HB2 SER 20 1HB SER 20 7.832 0.919 5.704 137 HB3 SER 20 2HB SER 20 7.525 2.497 4.980 138 HG SER 20 HG SER 20 5.484 2.306 6.362 139 H VAL 21 H VAL 21 4.917 2.185 2.543 140 HA VAL 21 HA VAL 21 6.917 1.520 0.511 141 HB VAL 21 HB VAL 21 4.324 2.918 -0.062 142 HG11 VAL 21 1HG1 VAL 21 4.548 1.723 -2.205 143 HG12 VAL 21 2HG1 VAL 21 5.930 2.768 -1.871 144 HG13 VAL 21 3HG1 VAL 21 6.064 1.024 -1.639 145 HG21 VAL 21 1HG2 VAL 21 3.810 0.952 1.339 146 HG22 VAL 21 2HG2 VAL 21 3.209 0.782 -0.310 147 HG23 VAL 21 3HG2 VAL 21 4.672 -0.069 0.186 148 H THR 22 H THR 22 8.207 2.997 -0.413 149 HA THR 22 HA THR 22 8.127 5.715 0.635 150 HB THR 22 HB THR 22 10.199 4.548 -1.225 151 HG1 THR 22 1HG THR 22 10.101 4.531 1.626 152 HG21 THR 22 1HG2 THR 22 9.851 7.077 0.225 153 HG22 THR 22 2HG2 THR 22 10.832 6.709 -1.195 154 HG23 THR 22 3HG2 THR 22 11.440 6.337 0.419 155 H VAL 23 H VAL 23 6.475 6.738 -0.447 156 HA VAL 23 HA VAL 23 6.981 7.269 -3.287 157 HB VAL 23 HB VAL 23 4.371 6.353 -2.102 158 HG11 VAL 23 1HG1 VAL 23 3.408 6.943 -4.374 159 HG12 VAL 23 2HG1 VAL 23 3.723 8.291 -3.281 160 HG13 VAL 23 3HG1 VAL 23 4.836 7.951 -4.607 161 HG21 VAL 23 1HG2 VAL 23 6.333 5.325 -4.032 162 HG22 VAL 23 2HG2 VAL 23 5.203 4.460 -2.991 163 HG23 VAL 23 3HG2 VAL 23 4.647 5.151 -4.515 164 H ASP 24 H ASP 24 6.939 9.372 -3.743 165 HA ASP 24 HA ASP 24 6.830 11.404 -1.950 166 HB2 ASP 24 1HB ASP 24 5.908 11.488 -4.830 167 HB3 ASP 24 2HB ASP 24 6.257 12.909 -3.850 168 HA PRO 25 HA PRO 25 2.680 11.795 -0.540 169 HB2 PRO 25 1HB PRO 25 2.744 14.386 0.270 170 HB3 PRO 25 2HB PRO 25 3.540 13.081 1.160 171 HG2 PRO 25 1HG PRO 25 4.715 15.059 -0.755 172 HG3 PRO 25 2HG PRO 25 5.354 14.490 0.798 173 HD2 PRO 25 1HD PRO 25 6.240 13.540 -1.577 174 HD3 PRO 25 2HD PRO 25 6.178 12.540 -0.113 175 H LYS 26 H LYS 26 3.854 13.238 -3.300 176 HA LYS 26 HA LYS 26 1.606 14.962 -3.852 177 HB2 LYS 26 1HB LYS 26 2.692 15.485 -5.892 178 HB3 LYS 26 2HB LYS 26 3.968 15.337 -4.691 179 HG2 LYS 26 1HG LYS 26 4.628 13.220 -5.521 180 HG3 LYS 26 2HG LYS 26 3.187 13.093 -6.531 181 HD2 LYS 26 1HD LYS 26 4.751 13.735 -8.087 182 HD3 LYS 26 2HD LYS 26 4.117 15.306 -7.591 183 HE2 LYS 26 1HE LYS 26 6.458 14.138 -6.153 184 HE3 LYS 26 2HE LYS 26 6.698 14.899 -7.724 185 HZ1 LYS 26 1HZ LYS 26 5.339 16.810 -6.635 186 HZ2 LYS 26 2HZ LYS 26 6.992 16.658 -6.312 187 HZ3 LYS 26 3HZ LYS 26 5.858 16.110 -5.184 188 H TYR 27 H TYR 27 2.625 11.704 -4.633 189 HA TYR 27 HA TYR 27 0.411 11.342 -6.491 190 HB2 TYR 27 1HB TYR 27 2.526 9.379 -5.579 191 HB3 TYR 27 2HB TYR 27 1.366 9.116 -6.877 192 HD1 TYR 27 2HD TYR 27 1.496 11.836 -8.160 193 HD2 TYR 27 1HD TYR 27 4.563 9.244 -6.751 194 HE1 TYR 27 2HE TYR 27 3.068 12.830 -9.770 195 HE2 TYR 27 1HE TYR 27 6.143 10.232 -8.357 196 HH TYR 27 HH TYR 27 5.503 13.102 -10.035 197 H HIS 28 H HIS 28 1.093 10.920 -3.186 198 HA HIS 28 HA HIS 28 -0.259 8.690 -2.384 199 HB2 HIS 28 1HB HIS 28 0.215 11.357 -1.180 200 HB3 HIS 28 2HB HIS 28 -1.049 10.382 -0.438 201 HD2 HIS 28 2HD HIS 28 2.192 8.640 -1.746 202 HE1 HIS 28 1HE HIS 28 2.234 8.576 2.496 203 HE2 HIS 28 2HE HIS 28 3.408 7.841 0.393 204 HA PRO 29 HA PRO 29 -4.482 11.027 -2.384 205 HB2 PRO 29 1HB PRO 29 -4.557 13.481 -3.544 206 HB3 PRO 29 2HB PRO 29 -4.187 13.238 -1.833 207 HG2 PRO 29 1HG PRO 29 -2.320 13.698 -4.128 208 HG3 PRO 29 2HG PRO 29 -2.284 14.398 -2.500 209 HD2 PRO 29 1HD PRO 29 -0.691 12.335 -3.235 210 HD3 PRO 29 2HD PRO 29 -1.306 12.524 -1.580 211 H LYS 30 H LYS 30 -2.306 10.796 -4.974 212 HA LYS 30 HA LYS 30 -4.317 11.051 -7.053 213 HB2 LYS 30 1HB LYS 30 -1.367 10.429 -7.092 214 HB3 LYS 30 2HB LYS 30 -2.365 10.352 -8.539 215 HG2 LYS 30 1HG LYS 30 -2.281 12.829 -6.860 216 HG3 LYS 30 2HG LYS 30 -1.035 12.497 -8.065 217 HD2 LYS 30 1HD LYS 30 -2.655 12.446 -9.825 218 HD3 LYS 30 2HD LYS 30 -3.988 12.520 -8.671 219 HE2 LYS 30 1HE LYS 30 -2.912 14.751 -7.932 220 HE3 LYS 30 2HE LYS 30 -2.057 14.668 -9.470 221 HZ1 LYS 30 1HZ LYS 30 -4.507 14.220 -10.318 222 HZ2 LYS 30 2HZ LYS 30 -3.890 15.785 -10.139 223 HZ3 LYS 30 3HZ LYS 30 -4.887 15.129 -8.941 224 H ILE 31 H ILE 31 -2.805 8.583 -5.165 225 HA ILE 31 HA ILE 31 -3.574 6.431 -6.940 226 HB ILE 31 HB ILE 31 -2.538 6.249 -4.110 227 HG12 ILE 31 1HG1 ILE 31 -0.828 5.731 -6.500 228 HG13 ILE 31 2HG1 ILE 31 -1.131 7.403 -6.043 229 HG21 ILE 31 1HG2 ILE 31 -3.214 4.281 -6.208 230 HG22 ILE 31 2HG2 ILE 31 -1.733 3.989 -5.297 231 HG23 ILE 31 3HG2 ILE 31 -3.274 4.135 -4.452 232 HD11 ILE 31 1HD1 ILE 31 0.089 7.246 -4.135 233 HD12 ILE 31 2HD1 ILE 31 -0.243 5.526 -3.929 234 HD13 ILE 31 3HD1 ILE 31 0.937 6.059 -5.126 235 H ILE 32 H ILE 32 -4.677 7.851 -3.909 236 HA ILE 32 HA ILE 32 -6.523 5.958 -3.097 237 HB ILE 32 HB ILE 32 -6.694 8.963 -2.878 238 HG12 ILE 32 1HG1 ILE 32 -5.950 6.960 -0.750 239 HG13 ILE 32 2HG1 ILE 32 -4.751 7.699 -1.808 240 HG21 ILE 32 1HG2 ILE 32 -8.250 6.903 -1.323 241 HG22 ILE 32 2HG2 ILE 32 -8.366 8.656 -1.177 242 HG23 ILE 32 3HG2 ILE 32 -8.903 7.857 -2.654 243 HD11 ILE 32 1HD1 ILE 32 -4.755 8.935 0.200 244 HD12 ILE 32 2HD1 ILE 32 -5.583 9.928 -0.999 245 HD13 ILE 32 3HD1 ILE 32 -6.514 9.047 0.213 246 H GLY 33 H GLY 33 -6.890 8.545 -5.483 247 HA2 GLY 33 1HA GLY 33 -8.272 8.209 -7.422 248 HA3 GLY 33 2HA GLY 33 -9.312 7.179 -6.450 249 H ARG 34 H ARG 34 -11.075 8.468 -7.280 250 HA ARG 34 HA ARG 34 -11.272 11.247 -6.679 251 HB2 ARG 34 1HB ARG 34 -13.202 9.157 -7.637 252 HB3 ARG 34 2HB ARG 34 -13.779 10.749 -7.163 253 HG2 ARG 34 1HG ARG 34 -13.476 10.777 -9.511 254 HG3 ARG 34 2HG ARG 34 -12.164 11.725 -8.808 255 HD2 ARG 34 1HD ARG 34 -11.181 10.369 -10.479 256 HD3 ARG 34 2HD ARG 34 -10.751 9.640 -8.932 257 HE ARG 34 HE ARG 34 -12.998 8.309 -9.640 258 HH11 ARG 34 1HH1 ARG 34 -9.999 8.984 -11.275 259 HH12 ARG 34 2HH1 ARG 34 -10.035 7.531 -12.218 260 HH21 ARG 34 1HH2 ARG 34 -13.057 6.393 -10.876 261 HH22 ARG 34 2HH2 ARG 34 -11.776 6.058 -11.991 262 H LYS 35 H LYS 35 -13.294 8.567 -5.474 263 HA LYS 35 HA LYS 35 -13.702 10.080 -2.996 264 HB2 LYS 35 1HB LYS 35 -15.228 7.895 -4.374 265 HB3 LYS 35 2HB LYS 35 -15.467 8.190 -2.656 266 HG2 LYS 35 1HG LYS 35 -15.911 10.616 -3.314 267 HG3 LYS 35 2HG LYS 35 -16.049 10.009 -4.966 268 HD2 LYS 35 1HD LYS 35 -17.606 8.740 -2.744 269 HD3 LYS 35 2HD LYS 35 -18.185 10.222 -3.509 270 HE2 LYS 35 1HE LYS 35 -17.384 7.860 -5.167 271 HE3 LYS 35 2HE LYS 35 -18.979 7.930 -4.420 272 HZ1 LYS 35 1HZ LYS 35 -19.609 9.695 -5.716 273 HZ2 LYS 35 2HZ LYS 35 -18.619 8.855 -6.799 274 HZ3 LYS 35 3HZ LYS 35 -18.026 10.220 -5.995 275 H GLY 36 H GLY 36 -12.296 7.161 -4.254 276 HA2 GLY 36 1HA GLY 36 -10.415 6.383 -2.763 277 HA3 GLY 36 2HA GLY 36 -11.637 6.317 -1.501 278 H ALA 37 H ALA 37 -12.119 5.355 -4.852 279 HA ALA 37 HA ALA 37 -12.869 2.691 -3.931 280 HB1 ALA 37 1HB ALA 37 -14.321 2.662 -5.625 281 HB2 ALA 37 2HB ALA 37 -13.958 4.378 -5.807 282 HB3 ALA 37 3HB ALA 37 -13.104 3.189 -6.790 283 H VAL 38 H VAL 38 -10.663 4.215 -6.257 284 HA VAL 38 HA VAL 38 -9.529 2.046 -7.466 285 HB VAL 38 HB VAL 38 -8.074 4.505 -6.483 286 HG11 VAL 38 1HG1 VAL 38 -6.711 3.783 -8.665 287 HG12 VAL 38 2HG1 VAL 38 -6.285 3.228 -7.045 288 HG13 VAL 38 3HG1 VAL 38 -7.224 2.188 -8.116 289 HG21 VAL 38 1HG2 VAL 38 -10.134 4.388 -8.262 290 HG22 VAL 38 2HG2 VAL 38 -8.882 5.630 -8.249 291 HG23 VAL 38 3HG2 VAL 38 -8.734 4.240 -9.325 292 H ILE 39 H ILE 39 -8.244 3.552 -4.494 293 HA ILE 39 HA ILE 39 -6.304 1.652 -3.928 294 HB ILE 39 HB ILE 39 -6.516 3.826 -2.760 295 HG12 ILE 39 1HG1 ILE 39 -6.001 2.900 -0.443 296 HG13 ILE 39 2HG1 ILE 39 -6.367 1.309 -1.099 297 HG21 ILE 39 1HG2 ILE 39 -9.007 3.595 -2.428 298 HG22 ILE 39 2HG2 ILE 39 -8.642 2.518 -1.081 299 HG23 ILE 39 3HG2 ILE 39 -8.100 4.196 -1.040 300 HD11 ILE 39 1HD1 ILE 39 -4.316 3.097 -2.351 301 HD12 ILE 39 2HD1 ILE 39 -3.930 2.016 -1.012 302 HD13 ILE 39 3HD1 ILE 39 -4.525 1.355 -2.534 303 H THR 40 H THR 40 -9.720 1.710 -3.016 304 HA THR 40 HA THR 40 -9.798 -0.425 -1.259 305 HB THR 40 HB THR 40 -11.901 0.295 -3.311 306 HG1 THR 40 1HG THR 40 -11.569 2.071 -2.033 307 HG21 THR 40 1HG2 THR 40 -11.775 -1.742 -1.245 308 HG22 THR 40 2HG2 THR 40 -12.959 -1.515 -2.531 309 HG23 THR 40 3HG2 THR 40 -13.133 -0.641 -1.009 310 H GLN 41 H GLN 41 -10.555 -0.601 -4.745 311 HA GLN 41 HA GLN 41 -10.843 -3.280 -5.064 312 HB2 GLN 41 1HB GLN 41 -11.122 -1.735 -6.910 313 HB3 GLN 41 2HB GLN 41 -9.402 -1.373 -6.912 314 HG2 GLN 41 1HG GLN 41 -10.444 -4.142 -7.399 315 HG3 GLN 41 2HG GLN 41 -10.268 -2.959 -8.695 316 HE21 GLN 41 1HE2 GLN 41 -8.786 -5.427 -7.079 317 HE22 GLN 41 2HE2 GLN 41 -7.146 -5.105 -7.515 318 H ILE 42 H ILE 42 -7.781 -1.522 -4.865 319 HA ILE 42 HA ILE 42 -6.134 -3.792 -5.341 320 HB ILE 42 HB ILE 42 -5.504 -1.143 -4.039 321 HG12 ILE 42 1HG1 ILE 42 -4.669 -2.123 -6.764 322 HG13 ILE 42 2HG1 ILE 42 -6.191 -1.274 -6.509 323 HG21 ILE 42 1HG2 ILE 42 -3.617 -3.316 -4.937 324 HG22 ILE 42 2HG2 ILE 42 -3.149 -1.720 -4.353 325 HG23 ILE 42 3HG2 ILE 42 -3.951 -2.855 -3.267 326 HD11 ILE 42 1HD1 ILE 42 -3.538 -0.129 -5.700 327 HD12 ILE 42 2HD1 ILE 42 -4.251 0.119 -7.294 328 HD13 ILE 42 3HD1 ILE 42 -5.086 0.700 -5.855 329 H ARG 43 H ARG 43 -7.266 -2.159 -2.410 330 HA ARG 43 HA ARG 43 -5.783 -3.661 -0.558 331 HB2 ARG 43 1HB ARG 43 -8.434 -2.239 -0.295 332 HB3 ARG 43 2HB ARG 43 -7.584 -2.963 1.063 333 HG2 ARG 43 1HG ARG 43 -5.654 -1.487 0.582 334 HG3 ARG 43 2HG ARG 43 -6.613 -0.708 -0.678 335 HD2 ARG 43 1HD ARG 43 -7.559 -0.906 2.167 336 HD3 ARG 43 2HD ARG 43 -6.545 0.422 1.607 337 HE ARG 43 HE ARG 43 -8.533 0.492 -0.171 338 HH11 ARG 43 1HH1 ARG 43 -8.575 0.233 3.301 339 HH12 ARG 43 2HH1 ARG 43 -10.094 1.047 3.474 340 HH21 ARG 43 1HH2 ARG 43 -10.533 1.566 0.043 341 HH22 ARG 43 2HH2 ARG 43 -11.208 1.804 1.620 342 H LEU 44 H LEU 44 -9.157 -4.068 -1.639 343 HA LEU 44 HA LEU 44 -9.673 -6.413 -0.195 344 HB2 LEU 44 1HB LEU 44 -10.854 -5.345 -2.749 345 HB3 LEU 44 2HB LEU 44 -11.471 -6.776 -1.924 346 HG LEU 44 HG LEU 44 -11.319 -4.085 -0.588 347 HD11 LEU 44 1HD1 LEU 44 -13.508 -3.586 -1.251 348 HD12 LEU 44 2HD1 LEU 44 -13.784 -5.212 -1.877 349 HD13 LEU 44 3HD1 LEU 44 -12.701 -4.111 -2.729 350 HD21 LEU 44 1HD2 LEU 44 -13.450 -5.828 0.218 351 HD22 LEU 44 2HD2 LEU 44 -12.137 -5.151 1.179 352 HD23 LEU 44 3HD2 LEU 44 -11.905 -6.673 0.319 353 H GLU 45 H GLU 45 -8.551 -5.960 -3.535 354 HA GLU 45 HA GLU 45 -8.528 -8.538 -4.447 355 HB2 GLU 45 1HB GLU 45 -7.867 -6.581 -5.792 356 HB3 GLU 45 2HB GLU 45 -6.360 -6.480 -4.894 357 HG2 GLU 45 1HG GLU 45 -5.479 -8.360 -5.888 358 HG3 GLU 45 2HG GLU 45 -7.063 -9.006 -6.313 359 H HIS 46 H HIS 46 -5.787 -6.959 -2.796 360 HA HIS 46 HA HIS 46 -4.502 -9.523 -2.384 361 HB2 HIS 46 1HB HIS 46 -3.665 -6.770 -1.450 362 HB3 HIS 46 2HB HIS 46 -2.671 -8.224 -1.416 363 HD1 HIS 46 1HD HIS 46 -2.279 -9.295 -3.936 364 HD2 HIS 46 2HD HIS 46 -3.305 -5.279 -3.675 365 HE1 HIS 46 1HE HIS 46 -1.606 -8.286 -6.138 366 H ASP 47 H ASP 47 -6.937 -7.947 -0.870 367 HA ASP 47 HA ASP 47 -7.884 -8.020 1.200 368 HB2 ASP 47 1HB ASP 47 -7.414 -10.538 0.534 369 HB3 ASP 47 2HB ASP 47 -6.292 -10.452 1.889 370 H VAL 48 H VAL 48 -5.968 -6.209 1.232 371 HA VAL 48 HA VAL 48 -4.666 -6.606 3.840 372 HB VAL 48 HB VAL 48 -2.688 -5.415 3.106 373 HG11 VAL 48 1HG1 VAL 48 -2.125 -7.568 2.761 374 HG12 VAL 48 2HG1 VAL 48 -3.564 -7.900 1.794 375 HG13 VAL 48 3HG1 VAL 48 -2.172 -7.104 1.061 376 HG21 VAL 48 1HG2 VAL 48 -4.376 -4.776 0.826 377 HG22 VAL 48 2HG2 VAL 48 -2.937 -3.955 1.433 378 HG23 VAL 48 3HG2 VAL 48 -2.772 -5.336 0.350 379 H ASN 49 H ASN 49 -3.972 -4.485 4.818 380 HA ASN 49 HA ASN 49 -6.064 -2.480 4.320 381 HB2 ASN 49 1HB ASN 49 -5.987 -3.531 6.585 382 HB3 ASN 49 2HB ASN 49 -4.380 -2.847 6.807 383 HD21 ASN 49 1HD2 ASN 49 -4.166 -0.754 7.381 384 HD22 ASN 49 2HD2 ASN 49 -5.495 0.310 7.678 385 H ILE 50 H ILE 50 -5.446 -0.723 3.266 386 HA ILE 50 HA ILE 50 -2.640 0.145 3.486 387 HB ILE 50 HB ILE 50 -4.607 0.774 1.282 388 HG12 ILE 50 1HG1 ILE 50 -2.186 -1.013 1.093 389 HG13 ILE 50 2HG1 ILE 50 -3.781 -1.641 1.494 390 HG21 ILE 50 1HG2 ILE 50 -3.196 2.449 0.863 391 HG22 ILE 50 2HG2 ILE 50 -2.002 1.834 2.005 392 HG23 ILE 50 3HG2 ILE 50 -2.047 1.211 0.355 393 HD11 ILE 50 1HD1 ILE 50 -3.815 -1.966 -0.744 394 HD12 ILE 50 2HD1 ILE 50 -4.429 -0.313 -0.707 395 HD13 ILE 50 3HD1 ILE 50 -2.730 -0.614 -1.071 396 H GLN 51 H GLN 51 -2.285 1.920 4.628 397 HA GLN 51 HA GLN 51 -4.383 3.982 4.727 398 HB2 GLN 51 1HB GLN 51 -3.965 2.483 6.849 399 HB3 GLN 51 2HB GLN 51 -2.579 3.543 7.071 400 HG2 GLN 51 1HG GLN 51 -4.313 5.449 6.790 401 HG3 GLN 51 2HG GLN 51 -5.490 4.193 7.169 402 HE21 GLN 51 1HE2 GLN 51 -4.735 2.804 9.122 403 HE22 GLN 51 2HE2 GLN 51 -4.221 3.710 10.499 404 H PHE 52 H PHE 52 -3.731 5.981 4.239 405 HA PHE 52 HA PHE 52 -0.873 6.415 3.787 406 HB2 PHE 52 1HB PHE 52 -3.282 8.013 2.896 407 HB3 PHE 52 2HB PHE 52 -1.612 8.406 2.502 408 HD1 PHE 52 1HD PHE 52 -0.323 6.971 0.987 409 HD2 PHE 52 2HD PHE 52 -4.448 6.269 1.768 410 HE1 PHE 52 1HE PHE 52 -0.448 5.520 -0.996 411 HE2 PHE 52 2HE PHE 52 -4.579 4.816 -0.213 412 HZ PHE 52 HZ PHE 52 -2.578 4.440 -1.598 413 HA PRO 53 HA PRO 53 -0.370 9.077 7.244 414 HB2 PRO 53 1HB PRO 53 1.539 10.762 6.301 415 HB3 PRO 53 2HB PRO 53 1.873 9.084 6.746 416 HG2 PRO 53 1HG PRO 53 1.403 10.267 4.036 417 HG3 PRO 53 2HG PRO 53 2.612 9.073 4.541 418 HD2 PRO 53 1HD PRO 53 0.328 8.381 3.266 419 HD3 PRO 53 2HD PRO 53 1.109 7.328 4.464 420 H ASP 54 H ASP 54 -0.721 11.220 8.013 421 HA ASP 54 HA ASP 54 -2.384 12.830 6.201 422 HB2 ASP 54 1HB ASP 54 -3.243 11.887 8.470 423 HB3 ASP 54 2HB ASP 54 -2.304 13.196 9.179 424 H LYS 55 H LYS 55 -1.753 14.799 5.592 425 HA LYS 55 HA LYS 55 0.844 15.752 6.224 426 HB2 LYS 55 1HB LYS 55 0.244 17.698 4.858 427 HB3 LYS 55 2HB LYS 55 -0.203 16.195 4.060 428 HG2 LYS 55 1HG LYS 55 -2.531 16.573 5.034 429 HG3 LYS 55 2HG LYS 55 -1.984 18.216 5.374 430 HD2 LYS 55 1HD LYS 55 -1.565 18.625 3.048 431 HD3 LYS 55 2HD LYS 55 -1.869 16.932 2.647 432 HE2 LYS 55 1HE LYS 55 -3.987 18.570 3.983 433 HE3 LYS 55 2HE LYS 55 -3.725 18.710 2.244 434 HZ1 LYS 55 1HZ LYS 55 -4.608 16.355 3.791 435 HZ2 LYS 55 2HZ LYS 55 -3.913 16.175 2.260 436 HZ3 LYS 55 3HZ LYS 55 -5.336 17.071 2.443 437 H ASP 56 H ASP 56 -2.344 16.410 7.474 438 HA ASP 56 HA ASP 56 -1.916 18.850 8.741 439 HB2 ASP 56 1HB ASP 56 -3.667 16.517 9.525 440 HB3 ASP 56 2HB ASP 56 -3.714 18.080 10.335 441 H ASP 57 H ASP 57 -1.092 15.585 9.756 442 HA ASP 57 HA ASP 57 -0.346 16.236 12.410 443 HB2 ASP 57 1HB ASP 57 -0.793 13.912 11.250 444 HB3 ASP 57 2HB ASP 57 0.940 13.971 10.938 445 H GLY 58 H GLY 58 1.841 15.212 9.784 446 HA2 GLY 58 1HA GLY 58 3.712 16.515 9.047 447 HA3 GLY 58 2HA GLY 58 3.697 17.346 10.595 448 H ASN 59 H ASN 59 4.117 15.854 12.523 449 HA ASN 59 HA ASN 59 6.640 14.953 12.605 450 HB2 ASN 59 1HB ASN 59 4.194 13.992 14.050 451 HB3 ASN 59 2HB ASN 59 5.740 13.197 14.328 452 HD21 ASN 59 1HD2 ASN 59 7.557 14.641 14.918 453 HD22 ASN 59 2HD2 ASN 59 7.214 15.982 15.951 454 H GLN 60 H GLN 60 3.867 13.022 11.546 455 HA GLN 60 HA GLN 60 5.492 10.711 10.988 456 HB2 GLN 60 1HB GLN 60 3.426 9.734 10.105 457 HB3 GLN 60 2HB GLN 60 3.168 10.441 11.694 458 HG2 GLN 60 1HG GLN 60 1.991 12.267 10.811 459 HG3 GLN 60 2HG GLN 60 2.545 11.936 9.172 460 HE21 GLN 60 1HE2 GLN 60 0.017 11.639 11.285 461 HE22 GLN 60 2HE2 GLN 60 -0.887 10.415 10.469 462 HA PRO 61 HA PRO 61 6.688 11.605 6.861 463 HB2 PRO 61 1HB PRO 61 6.697 9.117 5.777 464 HB3 PRO 61 2HB PRO 61 7.918 9.666 6.929 465 HG2 PRO 61 1HG PRO 61 5.488 7.985 7.404 466 HG3 PRO 61 2HG PRO 61 7.129 7.783 8.042 467 HD2 PRO 61 1HD PRO 61 5.126 8.881 9.495 468 HD3 PRO 61 2HD PRO 61 6.821 9.372 9.684 469 H GLN 62 H GLN 62 5.653 12.350 5.115 470 HA GLN 62 HA GLN 62 2.895 11.519 4.661 471 HB2 GLN 62 1HB GLN 62 4.507 13.785 3.476 472 HB3 GLN 62 2HB GLN 62 2.810 13.473 3.135 473 HG2 GLN 62 1HG GLN 62 4.064 14.377 5.703 474 HG3 GLN 62 2HG GLN 62 2.828 15.181 4.735 475 HE21 GLN 62 1HE2 GLN 62 3.256 13.698 7.542 476 HE22 GLN 62 2HE2 GLN 62 1.703 12.978 7.773 477 H ASP 63 H ASP 63 5.979 10.861 3.468 478 HA ASP 63 HA ASP 63 5.003 10.130 0.806 479 HB2 ASP 63 1HB ASP 63 7.211 10.125 0.080 480 HB3 ASP 63 2HB ASP 63 7.231 11.394 1.302 481 H GLN 64 H GLN 64 5.611 8.763 3.848 482 HA GLN 64 HA GLN 64 6.131 6.093 2.822 483 HB2 GLN 64 1HB GLN 64 5.930 7.237 5.602 484 HB3 GLN 64 2HB GLN 64 6.071 5.510 5.304 485 HG2 GLN 64 1HG GLN 64 8.061 7.313 4.044 486 HG3 GLN 64 2HG GLN 64 8.177 7.020 5.778 487 HE21 GLN 64 1HE2 GLN 64 7.862 5.325 2.688 488 HE22 GLN 64 2HE2 GLN 64 8.821 3.961 3.138 489 H ILE 65 H ILE 65 4.662 4.506 2.637 490 HA ILE 65 HA ILE 65 1.919 5.090 3.541 491 HB ILE 65 HB ILE 65 2.680 3.230 1.293 492 HG12 ILE 65 1HG1 ILE 65 1.611 6.040 1.011 493 HG13 ILE 65 2HG1 ILE 65 3.324 5.650 0.900 494 HG21 ILE 65 1HG2 ILE 65 0.177 3.949 0.761 495 HG22 ILE 65 2HG2 ILE 65 0.564 2.593 1.819 496 HG23 ILE 65 3HG2 ILE 65 0.144 4.160 2.511 497 HD11 ILE 65 1HD1 ILE 65 3.061 4.507 -1.094 498 HD12 ILE 65 2HD1 ILE 65 1.332 4.266 -0.842 499 HD13 ILE 65 3HD1 ILE 65 1.948 5.864 -1.258 500 H THR 66 H THR 66 1.267 3.899 5.193 501 HA THR 66 HA THR 66 2.666 1.491 5.946 502 HB THR 66 HB THR 66 0.130 2.325 7.286 503 HG1 THR 66 1HG THR 66 1.179 3.989 8.341 504 HG21 THR 66 1HG2 THR 66 1.037 0.508 8.376 505 HG22 THR 66 2HG2 THR 66 1.778 1.834 9.272 506 HG23 THR 66 3HG2 THR 66 2.696 0.991 8.025 507 H ILE 67 H ILE 67 1.883 -0.589 5.940 508 HA ILE 67 HA ILE 67 -0.803 -1.106 4.940 509 HB ILE 67 HB ILE 67 1.631 -2.243 3.559 510 HG12 ILE 67 1HG1 ILE 67 -0.444 -0.283 2.552 511 HG13 ILE 67 2HG1 ILE 67 1.211 0.125 2.992 512 HG21 ILE 67 1HG2 ILE 67 -1.163 -3.037 3.649 513 HG22 ILE 67 2HG2 ILE 67 -0.591 -2.748 2.007 514 HG23 ILE 67 3HG2 ILE 67 0.242 -3.910 3.039 515 HD11 ILE 67 1HD1 ILE 67 0.258 -0.632 0.489 516 HD12 ILE 67 2HD1 ILE 67 1.940 -0.433 0.981 517 HD13 ILE 67 3HD1 ILE 67 1.174 -2.018 1.080 518 H THR 68 H THR 68 -1.660 -2.579 6.231 519 HA THR 68 HA THR 68 0.114 -4.461 7.623 520 HB THR 68 HB THR 68 -2.783 -4.001 8.300 521 HG1 THR 68 1HG THR 68 -0.506 -2.490 9.094 522 HG21 THR 68 1HG2 THR 68 -0.402 -4.912 9.921 523 HG22 THR 68 2HG2 THR 68 -1.696 -5.942 9.308 524 HG23 THR 68 3HG2 THR 68 -2.045 -4.719 10.530 525 H GLY 69 H GLY 69 -0.339 -6.679 7.686 526 HA2 GLY 69 1HA GLY 69 -2.266 -8.282 6.995 527 HA3 GLY 69 2HA GLY 69 -1.938 -7.610 5.405 528 H TYR 70 H TYR 70 -1.684 -10.119 5.254 529 HA TYR 70 HA TYR 70 0.566 -11.424 6.241 530 HB2 TYR 70 1HB TYR 70 -0.810 -11.866 3.583 531 HB3 TYR 70 2HB TYR 70 0.265 -13.006 4.384 532 HD1 TYR 70 2HD TYR 70 -0.793 -12.536 7.216 533 HD2 TYR 70 1HD TYR 70 -2.758 -13.226 3.506 534 HE1 TYR 70 2HE TYR 70 -2.709 -13.503 8.417 535 HE2 TYR 70 1HE TYR 70 -4.680 -14.193 4.697 536 HH TYR 70 HH TYR 70 -5.085 -15.311 6.937 537 H GLU 71 H GLU 71 2.641 -10.969 5.987 538 HA GLU 71 HA GLU 71 3.869 -9.072 4.576 539 HB2 GLU 71 1HB GLU 71 5.185 -10.423 6.019 540 HB3 GLU 71 2HB GLU 71 4.838 -11.877 5.093 541 HG2 GLU 71 1HG GLU 71 6.198 -11.124 3.275 542 HG3 GLU 71 2HG GLU 71 6.419 -9.548 4.034 543 H LYS 72 H LYS 72 2.690 -12.084 3.237 544 HA LYS 72 HA LYS 72 3.927 -11.766 0.680 545 HB2 LYS 72 1HB LYS 72 1.642 -13.504 1.620 546 HB3 LYS 72 2HB LYS 72 2.308 -13.567 -0.007 547 HG2 LYS 72 1HG LYS 72 4.075 -13.937 2.378 548 HG3 LYS 72 2HG LYS 72 3.114 -15.274 1.743 549 HD2 LYS 72 1HD LYS 72 4.148 -14.849 -0.494 550 HD3 LYS 72 2HD LYS 72 5.212 -13.673 0.283 551 HE2 LYS 72 1HE LYS 72 6.553 -15.516 0.376 552 HE3 LYS 72 2HE LYS 72 5.687 -15.712 1.898 553 HZ1 LYS 72 1HZ LYS 72 5.893 -17.628 0.073 554 HZ2 LYS 72 2HZ LYS 72 4.445 -16.916 -0.435 555 HZ3 LYS 72 3HZ LYS 72 4.587 -17.508 1.143 556 H ASN 73 H ASN 73 0.484 -11.649 1.621 557 HA ASN 73 HA ASN 73 -0.526 -10.607 -0.722 558 HB2 ASN 73 1HB ASN 73 -1.409 -10.459 2.135 559 HB3 ASN 73 2HB ASN 73 -2.270 -9.519 0.920 560 HD21 ASN 73 1HD2 ASN 73 -3.515 -11.496 2.362 561 HD22 ASN 73 2HD2 ASN 73 -3.909 -12.811 1.313 562 H THR 74 H THR 74 0.298 -8.722 2.194 563 HA THR 74 HA THR 74 -0.138 -6.189 1.398 564 HB THR 74 HB THR 74 1.839 -5.471 2.732 565 HG1 THR 74 1HG THR 74 2.297 -8.240 3.176 566 HG21 THR 74 1HG2 THR 74 1.055 -7.170 4.745 567 HG22 THR 74 2HG2 THR 74 -0.326 -7.206 3.647 568 HG23 THR 74 3HG2 THR 74 0.244 -5.669 4.297 569 H GLU 75 H GLU 75 2.968 -7.847 0.795 570 HA GLU 75 HA GLU 75 4.180 -5.914 -0.747 571 HB2 GLU 75 1HB GLU 75 4.369 -8.917 -0.823 572 HB3 GLU 75 2HB GLU 75 5.347 -7.905 -1.877 573 HG2 GLU 75 1HG GLU 75 5.339 -7.436 1.072 574 HG3 GLU 75 2HG GLU 75 6.316 -8.728 0.375 575 H ALA 76 H ALA 76 1.847 -8.369 -1.730 576 HA ALA 76 HA ALA 76 2.017 -7.950 -4.511 577 HB1 ALA 76 1HB ALA 76 0.951 -9.912 -3.410 578 HB2 ALA 76 2HB ALA 76 -0.406 -8.873 -2.976 579 HB3 ALA 76 3HB ALA 76 -0.035 -9.175 -4.673 580 H ALA 77 H ALA 77 0.459 -6.175 -1.980 581 HA ALA 77 HA ALA 77 -1.160 -4.643 -3.866 582 HB1 ALA 77 1HB ALA 77 -1.183 -3.771 -1.081 583 HB2 ALA 77 2HB ALA 77 -2.522 -4.193 -2.151 584 HB3 ALA 77 3HB ALA 77 -1.640 -5.460 -1.299 585 H ARG 78 H ARG 78 1.715 -4.371 -1.915 586 HA ARG 78 HA ARG 78 1.952 -1.537 -2.052 587 HB2 ARG 78 1HB ARG 78 3.911 -1.790 -0.882 588 HB3 ARG 78 2HB ARG 78 3.118 -3.307 -0.482 589 HG2 ARG 78 1HG ARG 78 5.169 -4.099 -1.043 590 HG3 ARG 78 2HG ARG 78 4.412 -4.131 -2.636 591 HD2 ARG 78 1HD ARG 78 5.342 -1.668 -2.750 592 HD3 ARG 78 2HD ARG 78 6.470 -2.279 -1.541 593 HE ARG 78 HE ARG 78 6.210 -3.899 -3.923 594 HH11 ARG 78 1HH1 ARG 78 7.937 -1.345 -2.306 595 HH12 ARG 78 2HH1 ARG 78 9.366 -1.525 -3.270 596 HH21 ARG 78 1HH2 ARG 78 8.085 -4.144 -5.199 597 HH22 ARG 78 2HH2 ARG 78 9.449 -3.116 -4.916 598 H ASP 79 H ASP 79 2.691 -4.123 -4.207 599 HA ASP 79 HA ASP 79 4.673 -2.799 -5.760 600 HB2 ASP 79 1HB ASP 79 4.229 -5.293 -5.699 601 HB3 ASP 79 2HB ASP 79 2.820 -4.985 -6.710 602 H ALA 80 H ALA 80 1.203 -2.745 -5.699 603 HA ALA 80 HA ALA 80 0.837 -1.651 -8.313 604 HB1 ALA 80 1HB ALA 80 -1.130 -2.563 -7.682 605 HB2 ALA 80 2HB ALA 80 -0.868 -2.220 -5.971 606 HB3 ALA 80 3HB ALA 80 -1.426 -0.942 -7.052 607 H ILE 81 H ILE 81 0.787 -0.251 -5.039 608 HA ILE 81 HA ILE 81 0.212 2.364 -5.607 609 HB ILE 81 HB ILE 81 2.268 1.410 -3.611 610 HG12 ILE 81 1HG1 ILE 81 -0.593 2.103 -3.008 611 HG13 ILE 81 2HG1 ILE 81 -0.161 0.488 -3.557 612 HG21 ILE 81 1HG2 ILE 81 0.646 3.870 -3.225 613 HG22 ILE 81 2HG2 ILE 81 2.263 3.478 -2.644 614 HG23 ILE 81 3HG2 ILE 81 2.019 3.938 -4.329 615 HD11 ILE 81 1HD1 ILE 81 0.185 0.004 -1.423 616 HD12 ILE 81 2HD1 ILE 81 1.639 0.996 -1.529 617 HD13 ILE 81 3HD1 ILE 81 0.131 1.703 -0.950 618 H LEU 82 H LEU 82 3.268 0.686 -6.058 619 HA LEU 82 HA LEU 82 4.705 3.077 -6.772 620 HB2 LEU 82 1HB LEU 82 5.508 0.211 -7.228 621 HB3 LEU 82 2HB LEU 82 6.561 1.624 -7.218 622 HG LEU 82 HG LEU 82 5.091 0.542 -4.816 623 HD11 LEU 82 1HD1 LEU 82 7.599 0.119 -4.173 624 HD12 LEU 82 2HD1 LEU 82 7.810 0.050 -5.921 625 HD13 LEU 82 3HD1 LEU 82 6.696 -1.060 -5.125 626 HD21 LEU 82 1HD2 LEU 82 5.556 2.497 -3.877 627 HD22 LEU 82 2HD2 LEU 82 6.365 3.049 -5.344 628 HD23 LEU 82 3HD2 LEU 82 7.274 2.171 -4.113 629 H ARG 83 H ARG 83 3.740 0.145 -8.561 630 HA ARG 83 HA ARG 83 4.512 0.683 -11.074 631 HB2 ARG 83 1HB ARG 83 2.993 -1.213 -10.166 632 HB3 ARG 83 2HB ARG 83 1.664 -0.160 -10.632 633 HG2 ARG 83 1HG ARG 83 2.285 -0.239 -12.916 634 HG3 ARG 83 2HG ARG 83 3.828 -1.007 -12.537 635 HD2 ARG 83 1HD ARG 83 2.867 -3.057 -12.150 636 HD3 ARG 83 2HD ARG 83 1.305 -2.362 -11.718 637 HE ARG 83 HE ARG 83 1.783 -1.825 -14.418 638 HH11 ARG 83 1HH1 ARG 83 1.189 -4.545 -12.327 639 HH12 ARG 83 2HH1 ARG 83 0.433 -5.496 -13.562 640 HH21 ARG 83 1HH2 ARG 83 0.791 -3.068 -16.053 641 HH22 ARG 83 2HH2 ARG 83 0.208 -4.655 -15.683 642 H ILE 84 H ILE 84 1.903 2.294 -9.367 643 HA ILE 84 HA ILE 84 0.915 3.719 -11.635 644 HB ILE 84 HB ILE 84 0.579 4.428 -8.720 645 HG12 ILE 84 1HG1 ILE 84 -1.468 2.936 -10.315 646 HG13 ILE 84 2HG1 ILE 84 -0.120 2.051 -9.609 647 HG21 ILE 84 1HG2 ILE 84 -1.634 5.028 -10.470 648 HG22 ILE 84 2HG2 ILE 84 -0.737 6.091 -9.386 649 HG23 ILE 84 3HG2 ILE 84 -0.153 5.807 -11.026 650 HD11 ILE 84 1HD1 ILE 84 -1.312 3.810 -7.672 651 HD12 ILE 84 2HD1 ILE 84 -2.517 2.735 -8.384 652 HD13 ILE 84 3HD1 ILE 84 -1.078 2.063 -7.617 653 H VAL 85 H VAL 85 2.719 4.826 -8.759 654 HA VAL 85 HA VAL 85 3.224 7.393 -9.248 655 HB VAL 85 HB VAL 85 5.233 5.315 -8.396 656 HG11 VAL 85 1HG1 VAL 85 6.199 7.683 -7.439 657 HG12 VAL 85 2HG1 VAL 85 6.814 6.836 -8.859 658 HG13 VAL 85 3HG1 VAL 85 5.639 8.138 -9.048 659 HG21 VAL 85 1HG2 VAL 85 3.614 7.371 -6.898 660 HG22 VAL 85 2HG2 VAL 85 3.399 5.621 -6.861 661 HG23 VAL 85 3HG2 VAL 85 4.852 6.346 -6.173 662 H GLY 86 H GLY 86 5.328 4.858 -10.638 663 HA2 GLY 86 1HA GLY 86 6.989 6.286 -12.208 664 HA3 GLY 86 2HA GLY 86 6.298 4.760 -12.739 665 H GLU 87 H GLU 87 3.789 5.199 -13.356 666 HA GLU 87 HA GLU 87 3.867 6.555 -15.797 667 HB2 GLU 87 1HB GLU 87 1.247 6.238 -14.417 668 HB3 GLU 87 2HB GLU 87 1.687 5.887 -16.083 669 HG2 GLU 87 1HG GLU 87 2.140 4.224 -13.636 670 HG3 GLU 87 2HG GLU 87 1.281 3.805 -15.117 671 H LEU 88 H LEU 88 2.112 7.505 -12.838 672 HA LEU 88 HA LEU 88 1.067 9.882 -13.465 673 HB2 LEU 88 1HB LEU 88 2.751 9.565 -10.992 674 HB3 LEU 88 2HB LEU 88 1.343 10.603 -11.210 675 HG LEU 88 HG LEU 88 1.323 7.587 -11.099 676 HD11 LEU 88 1HD1 LEU 88 0.764 7.710 -8.921 677 HD12 LEU 88 2HD1 LEU 88 -0.126 9.219 -9.120 678 HD13 LEU 88 3HD1 LEU 88 1.634 9.243 -9.001 679 HD21 LEU 88 1HD2 LEU 88 -0.393 8.741 -12.586 680 HD22 LEU 88 2HD2 LEU 88 -1.057 9.421 -11.100 681 HD23 LEU 88 3HD2 LEU 88 -1.012 7.672 -11.328 682 H GLU 89 H GLU 89 4.506 9.345 -12.817 683 HA GLU 89 HA GLU 89 5.355 12.007 -12.955 684 HB2 GLU 89 1HB GLU 89 6.656 9.353 -13.297 685 HB3 GLU 89 2HB GLU 89 7.532 10.764 -13.872 686 HG2 GLU 89 1HG GLU 89 7.200 11.769 -11.594 687 HG3 GLU 89 2HG GLU 89 6.593 10.197 -11.076 688 H GLN 90 H GLN 90 5.430 9.525 -15.518 689 HA GLN 90 HA GLN 90 6.396 10.917 -17.622 690 HB2 GLN 90 1HB GLN 90 4.239 8.854 -17.432 691 HB3 GLN 90 2HB GLN 90 4.556 9.617 -18.985 692 HG2 GLN 90 1HG GLN 90 6.984 8.957 -18.639 693 HG3 GLN 90 2HG GLN 90 6.402 7.935 -17.326 694 HE21 GLN 90 1HE2 GLN 90 7.242 7.940 -20.478 695 HE22 GLN 90 2HE2 GLN 90 6.330 6.581 -21.035 696 H MET 91 H MET 91 2.986 10.951 -16.596 697 HA MET 91 HA MET 91 1.949 12.651 -18.497 698 HB2 MET 91 1HB MET 91 1.233 12.587 -15.560 699 HB3 MET 91 2HB MET 91 0.230 13.238 -16.849 700 HG2 MET 91 1HG MET 91 -0.016 11.051 -17.824 701 HG3 MET 91 2HG MET 91 1.098 10.366 -16.644 702 HE1 MET 91 1HE MET 91 -3.169 11.760 -16.153 703 HE2 MET 91 2HE MET 91 -2.087 11.869 -17.542 704 HE3 MET 91 3HE MET 91 -2.859 10.333 -17.143 705 H SER 92 H SER 92 2.790 14.522 -19.146 706 HA SER 92 HA SER 92 3.368 16.563 -17.120 707 HB2 SER 92 1HB SER 92 5.404 17.244 -18.312 708 HB3 SER 92 2HB SER 92 5.526 15.569 -17.774 709 HG SER 92 HG SER 92 5.256 14.876 -19.828 710 H GLY 93 H GLY 93 1.996 18.164 -17.518 711 HA2 GLY 93 1HA GLY 93 1.296 20.035 -18.778 712 HA3 GLY 93 2HA GLY 93 1.806 19.209 -20.244 713 HA PRO 94 HA PRO 94 -2.805 19.028 -20.093 714 HB2 PRO 94 1HB PRO 94 -3.135 19.583 -22.730 715 HB3 PRO 94 2HB PRO 94 -2.967 20.839 -21.499 716 HG2 PRO 94 1HG PRO 94 -0.909 19.735 -23.371 717 HG3 PRO 94 2HG PRO 94 -1.214 21.420 -22.912 718 HD2 PRO 94 1HD PRO 94 0.790 19.955 -21.830 719 HD3 PRO 94 2HD PRO 94 -0.068 21.217 -20.922 720 H SER 95 H SER 95 -0.315 17.479 -21.923 721 HA SER 95 HA SER 95 -1.747 15.700 -23.497 722 HB2 SER 95 1HB SER 95 0.850 15.124 -22.052 723 HB3 SER 95 2HB SER 95 0.247 14.300 -23.489 724 HG SER 95 HG SER 95 1.727 15.868 -24.108 725 H SER 96 H SER 96 -2.605 13.669 -23.194 726 HA SER 96 HA SER 96 -3.209 12.983 -20.408 727 HB2 SER 96 1HB SER 96 -5.114 11.804 -21.219 728 HB3 SER 96 2HB SER 96 -5.059 13.316 -22.122 729 HG SER 96 HG SER 96 -4.578 10.705 -22.978 730 H GLY 97 H GLY 97 -3.201 10.722 -19.763 731 HA2 GLY 97 1HA GLY 97 -0.803 9.402 -20.675 732 HA3 GLY 97 2HA GLY 97 -1.857 8.874 -19.371 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -7.177 -40.224 -3.460 2 HA2 GLY 1 1HA GLY 1 -8.444 -40.599 -1.005 3 HA3 GLY 1 2HA GLY 1 -6.730 -40.887 -0.747 4 H SER 2 H SER 2 -8.597 -38.732 0.181 5 HA SER 2 HA SER 2 -7.102 -36.424 -0.879 6 HB2 SER 2 1HB SER 2 -9.026 -35.031 -0.371 7 HB3 SER 2 2HB SER 2 -9.540 -36.383 -1.379 8 HG SER 2 HG SER 2 -10.985 -36.522 0.178 9 H SER 3 H SER 3 -6.636 -34.703 0.634 10 HA SER 3 HA SER 3 -6.321 -35.703 3.388 11 HB2 SER 3 1HB SER 3 -4.521 -34.098 1.618 12 HB3 SER 3 2HB SER 3 -4.443 -33.844 3.361 13 HG SER 3 HG SER 3 -4.004 -36.059 3.603 14 H GLY 4 H GLY 4 -6.224 -33.974 5.066 15 HA2 GLY 4 1HA GLY 4 -8.482 -32.199 4.708 16 HA3 GLY 4 2HA GLY 4 -7.582 -32.461 6.195 17 H SER 5 H SER 5 -7.641 -30.175 6.530 18 HA SER 5 HA SER 5 -5.656 -28.738 4.893 19 HB2 SER 5 1HB SER 5 -8.240 -27.714 6.076 20 HB3 SER 5 2HB SER 5 -6.961 -26.645 5.501 21 HG SER 5 HG SER 5 -8.781 -27.372 4.011 22 H SER 6 H SER 6 -3.987 -27.887 5.963 23 HA SER 6 HA SER 6 -3.783 -28.293 8.806 24 HB2 SER 6 1HB SER 6 -1.852 -26.984 6.874 25 HB3 SER 6 2HB SER 6 -1.490 -27.436 8.539 26 HG SER 6 HG SER 6 -1.312 -28.941 6.376 27 H GLY 7 H GLY 7 -3.501 -25.428 6.691 28 HA2 GLY 7 1HA GLY 7 -4.697 -23.398 7.189 29 HA3 GLY 7 2HA GLY 7 -4.621 -23.823 8.892 30 H GLU 8 H GLU 8 -3.579 -21.581 6.918 31 HA GLU 8 HA GLU 8 -0.921 -21.292 6.812 32 HB2 GLU 8 1HB GLU 8 -3.065 -19.339 7.529 33 HB3 GLU 8 2HB GLU 8 -1.386 -18.826 7.635 34 HG2 GLU 8 1HG GLU 8 -1.058 -18.951 5.373 35 HG3 GLU 8 2HG GLU 8 -2.328 -20.152 5.144 36 H GLN 9 H GLN 9 0.791 -21.210 8.131 37 HA GLN 9 HA GLN 9 0.309 -21.454 11.003 38 HB2 GLN 9 1HB GLN 9 2.642 -22.202 11.132 39 HB3 GLN 9 2HB GLN 9 1.728 -23.150 9.966 40 HG2 GLN 9 1HG GLN 9 3.284 -20.794 9.021 41 HG3 GLN 9 2HG GLN 9 4.128 -22.292 9.407 42 HE21 GLN 9 1HE2 GLN 9 2.205 -20.628 7.147 43 HE22 GLN 9 2HE2 GLN 9 2.053 -21.898 5.986 44 H GLU 10 H GLU 10 1.607 -20.258 12.528 45 HA GLU 10 HA GLU 10 2.204 -18.237 13.413 46 HB2 GLU 10 1HB GLU 10 3.923 -18.097 10.932 47 HB3 GLU 10 2HB GLU 10 4.202 -17.257 12.451 48 HG2 GLU 10 1HG GLU 10 4.200 -19.707 13.414 49 HG3 GLU 10 2HG GLU 10 4.629 -20.110 11.753 50 H ASP 11 H ASP 11 -0.175 -18.061 12.000 51 HA ASP 11 HA ASP 11 -0.135 -15.850 10.178 52 HB2 ASP 11 1HB ASP 11 -2.543 -16.026 10.187 53 HB3 ASP 11 2HB ASP 11 -1.863 -17.649 10.130 54 H ARG 12 H ARG 12 -1.160 -16.278 13.555 55 HA ARG 12 HA ARG 12 -2.171 -13.831 14.164 56 HB2 ARG 12 1HB ARG 12 -1.417 -14.168 16.451 57 HB3 ARG 12 2HB ARG 12 -1.974 -15.691 15.770 58 HG2 ARG 12 1HG ARG 12 0.575 -15.985 15.192 59 HG3 ARG 12 2HG ARG 12 0.772 -14.835 16.515 60 HD2 ARG 12 1HD ARG 12 -0.251 -16.279 18.063 61 HD3 ARG 12 2HD ARG 12 -0.916 -17.303 16.791 62 HE ARG 12 HE ARG 12 1.746 -17.546 16.425 63 HH11 ARG 12 1HH1 ARG 12 -0.306 -17.874 19.219 64 HH12 ARG 12 2HH1 ARG 12 0.706 -19.052 19.986 65 HH21 ARG 12 1HH2 ARG 12 3.087 -19.096 17.425 66 HH22 ARG 12 2HH2 ARG 12 2.636 -19.746 18.966 67 H ALA 13 H ALA 13 1.178 -14.627 13.563 68 HA ALA 13 HA ALA 13 2.076 -11.971 14.354 69 HB1 ALA 13 1HB ALA 13 3.626 -14.327 13.284 70 HB2 ALA 13 2HB ALA 13 4.325 -12.812 13.860 71 HB3 ALA 13 3HB ALA 13 3.462 -13.867 14.980 72 H LEU 14 H LEU 14 1.761 -13.955 11.444 73 HA LEU 14 HA LEU 14 2.998 -12.248 9.621 74 HB2 LEU 14 1HB LEU 14 0.792 -14.262 9.350 75 HB3 LEU 14 2HB LEU 14 1.364 -13.335 7.965 76 HG LEU 14 HG LEU 14 3.207 -15.024 9.635 77 HD11 LEU 14 1HD1 LEU 14 2.652 -16.915 8.557 78 HD12 LEU 14 2HD1 LEU 14 2.306 -16.079 7.044 79 HD13 LEU 14 3HD1 LEU 14 1.101 -16.107 8.331 80 HD21 LEU 14 1HD2 LEU 14 4.789 -14.418 8.186 81 HD22 LEU 14 2HD2 LEU 14 3.675 -13.155 7.661 82 HD23 LEU 14 3HD2 LEU 14 3.736 -14.693 6.797 83 H ARG 15 H ARG 15 -0.443 -12.455 10.513 84 HA ARG 15 HA ARG 15 -1.379 -10.407 8.872 85 HB2 ARG 15 1HB ARG 15 -3.338 -10.372 10.243 86 HB3 ARG 15 2HB ARG 15 -2.782 -12.038 10.159 87 HG2 ARG 15 1HG ARG 15 -1.758 -11.810 12.366 88 HG3 ARG 15 2HG ARG 15 -2.319 -10.139 12.450 89 HD2 ARG 15 1HD ARG 15 -3.802 -11.623 13.691 90 HD3 ARG 15 2HD ARG 15 -4.634 -10.905 12.312 91 HE ARG 15 HE ARG 15 -3.597 -13.363 11.502 92 HH11 ARG 15 1HH1 ARG 15 -5.981 -12.113 13.709 93 HH12 ARG 15 2HH1 ARG 15 -6.993 -13.517 13.617 94 HH21 ARG 15 1HH2 ARG 15 -4.919 -15.217 11.372 95 HH22 ARG 15 2HH2 ARG 15 -6.387 -15.282 12.287 96 H SER 16 H SER 16 0.685 -10.226 11.543 97 HA SER 16 HA SER 16 0.012 -7.417 12.064 98 HB2 SER 16 1HB SER 16 0.234 -9.063 13.980 99 HB3 SER 16 2HB SER 16 1.957 -9.138 13.610 100 HG SER 16 HG SER 16 2.125 -6.956 14.076 101 H PHE 17 H PHE 17 1.210 -7.943 9.617 102 HA PHE 17 HA PHE 17 4.004 -7.114 9.977 103 HB2 PHE 17 1HB PHE 17 4.079 -8.930 8.547 104 HB3 PHE 17 2HB PHE 17 2.536 -8.538 7.798 105 HD1 PHE 17 2HD PHE 17 2.417 -6.668 6.152 106 HD2 PHE 17 1HD PHE 17 6.112 -8.165 7.640 107 HE1 PHE 17 2HE PHE 17 3.598 -5.618 4.266 108 HE2 PHE 17 1HE PHE 17 7.299 -7.116 5.758 109 HZ PHE 17 HZ PHE 17 6.042 -5.842 4.067 110 H LYS 18 H LYS 18 4.462 -5.036 9.754 111 HA LYS 18 HA LYS 18 2.612 -3.332 8.234 112 HB2 LYS 18 1HB LYS 18 3.201 -2.902 10.718 113 HB3 LYS 18 2HB LYS 18 4.740 -2.320 10.099 114 HG2 LYS 18 1HG LYS 18 3.152 -0.887 8.539 115 HG3 LYS 18 2HG LYS 18 2.032 -1.133 9.882 116 HD2 LYS 18 1HD LYS 18 3.096 0.824 10.497 117 HD3 LYS 18 2HD LYS 18 4.053 -0.391 11.348 118 HE2 LYS 18 1HE LYS 18 5.524 -0.371 9.219 119 HE3 LYS 18 2HE LYS 18 4.731 1.167 8.879 120 HZ1 LYS 18 1HZ LYS 18 6.680 1.691 10.044 121 HZ2 LYS 18 2HZ LYS 18 6.445 0.471 11.190 122 HZ3 LYS 18 3HZ LYS 18 5.445 1.836 11.190 123 H LEU 19 H LEU 19 3.233 -2.592 6.321 124 HA LEU 19 HA LEU 19 6.105 -2.607 5.677 125 HB2 LEU 19 1HB LEU 19 4.980 -4.109 4.245 126 HB3 LEU 19 2HB LEU 19 3.663 -2.972 3.967 127 HG LEU 19 HG LEU 19 5.438 -1.514 2.809 128 HD11 LEU 19 1HD1 LEU 19 7.206 -3.281 3.760 129 HD12 LEU 19 2HD1 LEU 19 7.469 -2.356 2.283 130 HD13 LEU 19 3HD1 LEU 19 6.882 -4.016 2.190 131 HD21 LEU 19 1HD2 LEU 19 4.206 -2.202 1.096 132 HD22 LEU 19 2HD2 LEU 19 3.838 -3.724 1.909 133 HD23 LEU 19 3HD2 LEU 19 5.294 -3.579 0.923 134 H SER 20 H SER 20 6.980 -0.871 4.472 135 HA SER 20 HA SER 20 5.348 1.583 4.488 136 HB2 SER 20 1HB SER 20 7.021 2.825 5.476 137 HB3 SER 20 2HB SER 20 7.300 1.267 6.255 138 HG SER 20 HG SER 20 9.106 1.027 5.161 139 H VAL 21 H VAL 21 5.039 2.279 2.489 140 HA VAL 21 HA VAL 21 6.980 1.597 0.405 141 HB VAL 21 HB VAL 21 4.323 2.923 -0.069 142 HG11 VAL 21 1HG1 VAL 21 5.974 2.818 -1.906 143 HG12 VAL 21 2HG1 VAL 21 5.972 1.058 -1.774 144 HG13 VAL 21 3HG1 VAL 21 4.503 1.911 -2.254 145 HG21 VAL 21 1HG2 VAL 21 3.308 0.732 -0.330 146 HG22 VAL 21 2HG2 VAL 21 4.821 -0.047 0.134 147 HG23 VAL 21 3HG2 VAL 21 3.932 0.924 1.309 148 H THR 22 H THR 22 8.445 3.043 -0.178 149 HA THR 22 HA THR 22 8.261 5.787 0.670 150 HB THR 22 HB THR 22 10.336 4.570 -1.159 151 HG1 THR 22 1HG THR 22 10.323 3.397 0.767 152 HG21 THR 22 1HG2 THR 22 11.173 6.635 -1.189 153 HG22 THR 22 2HG2 THR 22 11.405 6.533 0.556 154 HG23 THR 22 3HG2 THR 22 9.909 7.200 -0.099 155 H VAL 23 H VAL 23 6.869 7.059 -0.394 156 HA VAL 23 HA VAL 23 7.308 7.530 -3.218 157 HB VAL 23 HB VAL 23 4.622 6.592 -2.203 158 HG11 VAL 23 1HG1 VAL 23 3.704 7.101 -4.335 159 HG12 VAL 23 2HG1 VAL 23 4.537 8.553 -3.778 160 HG13 VAL 23 3HG1 VAL 23 5.287 7.514 -4.991 161 HG21 VAL 23 1HG2 VAL 23 6.426 5.465 -4.343 162 HG22 VAL 23 2HG2 VAL 23 6.236 4.806 -2.717 163 HG23 VAL 23 3HG2 VAL 23 4.870 4.809 -3.833 164 H ASP 24 H ASP 24 7.113 9.632 -3.657 165 HA ASP 24 HA ASP 24 6.812 11.604 -1.795 166 HB2 ASP 24 1HB ASP 24 6.260 11.601 -4.754 167 HB3 ASP 24 2HB ASP 24 6.076 13.064 -3.790 168 HA PRO 25 HA PRO 25 2.567 11.719 -0.641 169 HB2 PRO 25 1HB PRO 25 2.431 14.283 0.239 170 HB3 PRO 25 2HB PRO 25 3.243 12.999 1.143 171 HG2 PRO 25 1HG PRO 25 4.418 15.097 -0.640 172 HG3 PRO 25 2HG PRO 25 4.991 14.518 0.935 173 HD2 PRO 25 1HD PRO 25 6.077 13.692 -1.405 174 HD3 PRO 25 2HD PRO 25 5.982 12.646 0.026 175 H LYS 26 H LYS 26 3.828 13.322 -3.277 176 HA LYS 26 HA LYS 26 1.584 14.986 -3.931 177 HB2 LYS 26 1HB LYS 26 2.708 15.281 -6.092 178 HB3 LYS 26 2HB LYS 26 3.821 15.526 -4.753 179 HG2 LYS 26 1HG LYS 26 4.349 12.983 -5.157 180 HG3 LYS 26 2HG LYS 26 3.723 13.344 -6.768 181 HD2 LYS 26 1HD LYS 26 5.778 15.123 -5.516 182 HD3 LYS 26 2HD LYS 26 6.265 13.612 -6.287 183 HE2 LYS 26 1HE LYS 26 6.452 15.202 -7.986 184 HE3 LYS 26 2HE LYS 26 4.900 14.424 -8.298 185 HZ1 LYS 26 1HZ LYS 26 3.743 16.257 -7.430 186 HZ2 LYS 26 2HZ LYS 26 4.939 16.923 -8.424 187 HZ3 LYS 26 3HZ LYS 26 5.134 16.934 -6.744 188 H TYR 27 H TYR 27 2.319 11.664 -4.250 189 HA TYR 27 HA TYR 27 0.177 11.317 -6.239 190 HB2 TYR 27 1HB TYR 27 2.358 9.371 -5.458 191 HB3 TYR 27 2HB TYR 27 1.158 9.131 -6.723 192 HD1 TYR 27 2HD TYR 27 1.170 11.767 -8.048 193 HD2 TYR 27 1HD TYR 27 4.399 9.416 -6.581 194 HE1 TYR 27 2HE TYR 27 2.675 12.826 -9.681 195 HE2 TYR 27 1HE TYR 27 5.913 10.470 -8.209 196 HH TYR 27 HH TYR 27 6.128 11.999 -9.803 197 H HIS 28 H HIS 28 1.062 10.806 -2.980 198 HA HIS 28 HA HIS 28 -0.169 8.565 -2.114 199 HB2 HIS 28 1HB HIS 28 0.137 11.280 -0.957 200 HB3 HIS 28 2HB HIS 28 -1.023 10.215 -0.168 201 HD2 HIS 28 2HD HIS 28 2.298 8.707 -1.553 202 HE1 HIS 28 1HE HIS 28 2.486 8.729 2.685 203 HE2 HIS 28 2HE HIS 28 3.642 8.043 0.555 204 HA PRO 29 HA PRO 29 -4.532 10.641 -2.074 205 HB2 PRO 29 1HB PRO 29 -4.785 13.030 -3.339 206 HB3 PRO 29 2HB PRO 29 -4.360 12.888 -1.628 207 HG2 PRO 29 1HG PRO 29 -2.580 13.355 -3.990 208 HG3 PRO 29 2HG PRO 29 -2.549 14.129 -2.394 209 HD2 PRO 29 1HD PRO 29 -0.850 12.135 -3.081 210 HD3 PRO 29 2HD PRO 29 -1.436 12.361 -1.420 211 H LYS 30 H LYS 30 -2.424 10.839 -4.829 212 HA LYS 30 HA LYS 30 -4.459 10.787 -6.831 213 HB2 LYS 30 1HB LYS 30 -1.497 10.251 -6.854 214 HB3 LYS 30 2HB LYS 30 -2.485 10.012 -8.289 215 HG2 LYS 30 1HG LYS 30 -1.334 12.207 -8.202 216 HG3 LYS 30 2HG LYS 30 -3.090 12.321 -8.344 217 HD2 LYS 30 1HD LYS 30 -3.279 12.774 -5.967 218 HD3 LYS 30 2HD LYS 30 -1.536 12.576 -5.769 219 HE2 LYS 30 1HE LYS 30 -1.097 14.516 -7.093 220 HE3 LYS 30 2HE LYS 30 -2.791 14.643 -7.566 221 HZ1 LYS 30 1HZ LYS 30 -3.390 15.211 -5.343 222 HZ2 LYS 30 2HZ LYS 30 -2.115 16.222 -5.804 223 HZ3 LYS 30 3HZ LYS 30 -1.826 14.912 -4.773 224 H ILE 31 H ILE 31 -2.752 8.373 -4.982 225 HA ILE 31 HA ILE 31 -3.555 6.168 -6.644 226 HB ILE 31 HB ILE 31 -2.574 5.999 -3.799 227 HG12 ILE 31 1HG1 ILE 31 -0.741 5.763 -6.152 228 HG13 ILE 31 2HG1 ILE 31 -1.155 7.364 -5.549 229 HG21 ILE 31 1HG2 ILE 31 -3.164 3.864 -4.299 230 HG22 ILE 31 2HG2 ILE 31 -2.971 4.100 -6.035 231 HG23 ILE 31 3HG2 ILE 31 -1.552 3.861 -5.015 232 HD11 ILE 31 1HD1 ILE 31 0.237 7.169 -3.836 233 HD12 ILE 31 2HD1 ILE 31 -0.375 5.568 -3.419 234 HD13 ILE 31 3HD1 ILE 31 0.879 5.742 -4.647 235 H ILE 32 H ILE 32 -4.522 7.416 -3.458 236 HA ILE 32 HA ILE 32 -6.342 5.622 -2.602 237 HB ILE 32 HB ILE 32 -6.527 8.624 -2.573 238 HG12 ILE 32 1HG1 ILE 32 -6.131 6.708 -0.279 239 HG13 ILE 32 2HG1 ILE 32 -4.784 7.309 -1.241 240 HG21 ILE 32 1HG2 ILE 32 -8.356 8.433 -0.966 241 HG22 ILE 32 2HG2 ILE 32 -8.804 7.754 -2.529 242 HG23 ILE 32 3HG2 ILE 32 -8.378 6.685 -1.194 243 HD11 ILE 32 1HD1 ILE 32 -5.557 9.630 -0.650 244 HD12 ILE 32 2HD1 ILE 32 -6.648 8.874 0.512 245 HD13 ILE 32 3HD1 ILE 32 -4.904 8.668 0.677 246 H GLY 33 H GLY 33 -6.941 8.082 -5.094 247 HA2 GLY 33 1HA GLY 33 -8.286 7.337 -7.022 248 HA3 GLY 33 2HA GLY 33 -9.349 6.550 -5.865 249 H ARG 34 H ARG 34 -10.330 8.304 -7.765 250 HA ARG 34 HA ARG 34 -10.582 10.963 -6.845 251 HB2 ARG 34 1HB ARG 34 -12.451 11.121 -8.444 252 HB3 ARG 34 2HB ARG 34 -11.028 10.380 -9.162 253 HG2 ARG 34 1HG ARG 34 -12.052 8.157 -8.792 254 HG3 ARG 34 2HG ARG 34 -13.505 8.966 -8.201 255 HD2 ARG 34 1HD ARG 34 -13.968 8.506 -10.448 256 HD3 ARG 34 2HD ARG 34 -13.504 10.207 -10.435 257 HE ARG 34 HE ARG 34 -11.702 9.677 -11.736 258 HH11 ARG 34 1HH1 ARG 34 -12.913 6.770 -10.252 259 HH12 ARG 34 2HH1 ARG 34 -11.861 5.722 -11.143 260 HH21 ARG 34 1HH2 ARG 34 -10.313 8.307 -12.916 261 HH22 ARG 34 2HH2 ARG 34 -10.382 6.597 -12.658 262 H LYS 35 H LYS 35 -12.777 8.171 -6.605 263 HA LYS 35 HA LYS 35 -14.291 9.622 -4.543 264 HB2 LYS 35 1HB LYS 35 -16.104 8.017 -4.985 265 HB3 LYS 35 2HB LYS 35 -15.641 8.897 -6.436 266 HG2 LYS 35 1HG LYS 35 -14.081 6.783 -6.771 267 HG3 LYS 35 2HG LYS 35 -15.323 6.026 -5.770 268 HD2 LYS 35 1HD LYS 35 -16.027 7.671 -8.183 269 HD3 LYS 35 2HD LYS 35 -15.631 5.956 -8.314 270 HE2 LYS 35 1HE LYS 35 -17.424 5.443 -6.709 271 HE3 LYS 35 2HE LYS 35 -17.831 7.157 -6.632 272 HZ1 LYS 35 1HZ LYS 35 -17.824 6.509 -9.309 273 HZ2 LYS 35 2HZ LYS 35 -19.177 6.800 -8.338 274 HZ3 LYS 35 3HZ LYS 35 -18.614 5.220 -8.549 275 H GLY 36 H GLY 36 -11.964 7.255 -4.920 276 HA2 GLY 36 1HA GLY 36 -10.928 6.257 -3.014 277 HA3 GLY 36 2HA GLY 36 -12.484 6.276 -2.198 278 H ALA 37 H ALA 37 -13.067 5.280 -5.278 279 HA ALA 37 HA ALA 37 -13.458 2.553 -4.446 280 HB1 ALA 37 1HB ALA 37 -14.386 2.246 -6.714 281 HB2 ALA 37 2HB ALA 37 -15.118 3.600 -5.852 282 HB3 ALA 37 3HB ALA 37 -13.914 3.900 -7.105 283 H VAL 38 H VAL 38 -10.965 4.310 -5.985 284 HA VAL 38 HA VAL 38 -9.845 2.274 -7.597 285 HB VAL 38 HB VAL 38 -8.476 4.634 -6.299 286 HG11 VAL 38 1HG1 VAL 38 -7.177 4.009 -8.667 287 HG12 VAL 38 2HG1 VAL 38 -6.594 3.690 -7.032 288 HG13 VAL 38 3HG1 VAL 38 -7.479 2.444 -7.913 289 HG21 VAL 38 1HG2 VAL 38 -10.445 5.051 -7.873 290 HG22 VAL 38 2HG2 VAL 38 -8.926 5.867 -8.244 291 HG23 VAL 38 3HG2 VAL 38 -9.399 4.429 -9.149 292 H ILE 39 H ILE 39 -8.587 3.565 -4.517 293 HA ILE 39 HA ILE 39 -6.793 1.460 -4.059 294 HB ILE 39 HB ILE 39 -6.727 3.684 -2.921 295 HG12 ILE 39 1HG1 ILE 39 -6.336 2.521 -0.548 296 HG13 ILE 39 2HG1 ILE 39 -6.470 1.064 -1.528 297 HG21 ILE 39 1HG2 ILE 39 -8.885 4.155 -2.231 298 HG22 ILE 39 2HG2 ILE 39 -9.135 2.540 -1.570 299 HG23 ILE 39 3HG2 ILE 39 -8.101 3.689 -0.722 300 HD11 ILE 39 1HD1 ILE 39 -4.621 3.275 -2.319 301 HD12 ILE 39 2HD1 ILE 39 -4.148 2.073 -1.118 302 HD13 ILE 39 3HD1 ILE 39 -4.571 1.566 -2.753 303 H THR 40 H THR 40 -10.194 1.775 -3.410 304 HA THR 40 HA THR 40 -10.479 -0.225 -1.453 305 HB THR 40 HB THR 40 -12.440 0.755 -3.532 306 HG1 THR 40 1HG THR 40 -13.241 1.947 -1.758 307 HG21 THR 40 1HG2 THR 40 -12.669 -1.325 -1.426 308 HG22 THR 40 2HG2 THR 40 -13.485 -1.198 -2.984 309 HG23 THR 40 3HG2 THR 40 -14.026 -0.217 -1.623 310 H GLN 41 H GLN 41 -10.226 -0.370 -4.941 311 HA GLN 41 HA GLN 41 -11.111 -3.054 -5.232 312 HB2 GLN 41 1HB GLN 41 -11.123 -1.545 -7.129 313 HB3 GLN 41 2HB GLN 41 -9.381 -1.331 -7.012 314 HG2 GLN 41 1HG GLN 41 -10.499 -4.062 -7.424 315 HG3 GLN 41 2HG GLN 41 -10.400 -2.941 -8.782 316 HE21 GLN 41 1HE2 GLN 41 -8.704 -5.073 -6.737 317 HE22 GLN 41 2HE2 GLN 41 -7.131 -4.843 -7.413 318 H ILE 42 H ILE 42 -7.890 -1.574 -5.018 319 HA ILE 42 HA ILE 42 -6.451 -4.001 -5.252 320 HB ILE 42 HB ILE 42 -5.538 -1.468 -3.886 321 HG12 ILE 42 1HG1 ILE 42 -4.877 -2.140 -6.724 322 HG13 ILE 42 2HG1 ILE 42 -6.444 -1.422 -6.366 323 HG21 ILE 42 1HG2 ILE 42 -3.841 -2.873 -3.379 324 HG22 ILE 42 2HG2 ILE 42 -4.228 -3.986 -4.689 325 HG23 ILE 42 3HG2 ILE 42 -3.341 -2.501 -5.028 326 HD11 ILE 42 1HD1 ILE 42 -4.389 0.066 -6.987 327 HD12 ILE 42 2HD1 ILE 42 -5.533 0.582 -5.747 328 HD13 ILE 42 3HD1 ILE 42 -3.991 -0.137 -5.281 329 H ARG 43 H ARG 43 -7.421 -2.063 -2.434 330 HA ARG 43 HA ARG 43 -6.224 -3.468 -0.407 331 HB2 ARG 43 1HB ARG 43 -8.931 -2.143 -0.504 332 HB3 ARG 43 2HB ARG 43 -8.254 -2.809 0.977 333 HG2 ARG 43 1HG ARG 43 -6.484 -1.251 0.985 334 HG3 ARG 43 2HG ARG 43 -6.821 -0.750 -0.674 335 HD2 ARG 43 1HD ARG 43 -8.827 0.338 -0.031 336 HD3 ARG 43 2HD ARG 43 -8.789 -0.392 1.573 337 HE ARG 43 HE ARG 43 -6.468 1.153 1.188 338 HH11 ARG 43 1HH1 ARG 43 -9.899 1.504 1.666 339 HH12 ARG 43 2HH1 ARG 43 -9.766 3.056 2.424 340 HH21 ARG 43 1HH2 ARG 43 -6.280 3.196 2.185 341 HH22 ARG 43 2HH2 ARG 43 -7.708 4.018 2.718 342 H LEU 44 H LEU 44 -9.111 -4.321 -2.223 343 HA LEU 44 HA LEU 44 -9.696 -6.606 -0.557 344 HB2 LEU 44 1HB LEU 44 -10.857 -5.502 -3.092 345 HB3 LEU 44 2HB LEU 44 -11.336 -7.083 -2.476 346 HG LEU 44 HG LEU 44 -11.547 -4.671 -0.719 347 HD11 LEU 44 1HD1 LEU 44 -12.890 -3.713 -2.239 348 HD12 LEU 44 2HD1 LEU 44 -14.060 -4.923 -1.713 349 HD13 LEU 44 3HD1 LEU 44 -13.088 -5.206 -3.157 350 HD21 LEU 44 1HD2 LEU 44 -13.638 -6.704 -0.716 351 HD22 LEU 44 2HD2 LEU 44 -12.704 -6.033 0.621 352 HD23 LEU 44 3HD2 LEU 44 -12.036 -7.345 -0.351 353 H GLU 45 H GLU 45 -8.466 -6.056 -3.844 354 HA GLU 45 HA GLU 45 -8.237 -8.551 -4.852 355 HB2 GLU 45 1HB GLU 45 -7.449 -6.609 -6.068 356 HB3 GLU 45 2HB GLU 45 -6.133 -6.384 -4.923 357 HG2 GLU 45 1HG GLU 45 -5.218 -7.368 -6.871 358 HG3 GLU 45 2HG GLU 45 -5.251 -8.612 -5.623 359 H HIS 46 H HIS 46 -5.707 -7.071 -2.816 360 HA HIS 46 HA HIS 46 -4.530 -9.693 -2.362 361 HB2 HIS 46 1HB HIS 46 -3.564 -7.136 -1.111 362 HB3 HIS 46 2HB HIS 46 -2.641 -8.576 -1.532 363 HD1 HIS 46 1HD HIS 46 -2.056 -8.891 -4.080 364 HD2 HIS 46 2HD HIS 46 -3.777 -5.237 -3.103 365 HE1 HIS 46 1HE HIS 46 -1.637 -7.399 -6.061 366 H ASP 47 H ASP 47 -6.851 -7.737 -0.934 367 HA ASP 47 HA ASP 47 -8.016 -7.871 1.017 368 HB2 ASP 47 1HB ASP 47 -7.629 -10.403 0.440 369 HB3 ASP 47 2HB ASP 47 -6.527 -10.345 1.815 370 H VAL 48 H VAL 48 -5.730 -6.286 0.982 371 HA VAL 48 HA VAL 48 -4.694 -6.630 3.722 372 HB VAL 48 HB VAL 48 -2.679 -5.452 3.066 373 HG11 VAL 48 1HG1 VAL 48 -2.209 -7.655 2.767 374 HG12 VAL 48 2HG1 VAL 48 -3.525 -7.894 1.616 375 HG13 VAL 48 3HG1 VAL 48 -2.027 -7.121 1.096 376 HG21 VAL 48 1HG2 VAL 48 -2.266 -4.571 0.941 377 HG22 VAL 48 2HG2 VAL 48 -3.602 -5.462 0.210 378 HG23 VAL 48 3HG2 VAL 48 -3.932 -4.099 1.279 379 H ASN 49 H ASN 49 -3.863 -4.429 4.596 380 HA ASN 49 HA ASN 49 -5.990 -2.449 4.131 381 HB2 ASN 49 1HB ASN 49 -5.858 -3.484 6.414 382 HB3 ASN 49 2HB ASN 49 -4.269 -2.748 6.599 383 HD21 ASN 49 1HD2 ASN 49 -4.536 -1.210 8.061 384 HD22 ASN 49 2HD2 ASN 49 -5.727 0.042 7.996 385 H ILE 50 H ILE 50 -5.417 -0.640 3.141 386 HA ILE 50 HA ILE 50 -2.595 0.201 3.272 387 HB ILE 50 HB ILE 50 -4.623 0.648 1.082 388 HG12 ILE 50 1HG1 ILE 50 -1.943 -0.668 0.786 389 HG13 ILE 50 2HG1 ILE 50 -3.315 -1.590 1.388 390 HG21 ILE 50 1HG2 ILE 50 -3.457 2.624 0.989 391 HG22 ILE 50 2HG2 ILE 50 -1.978 1.906 1.623 392 HG23 ILE 50 3HG2 ILE 50 -2.459 1.604 -0.046 393 HD11 ILE 50 1HD1 ILE 50 -2.849 -0.427 -1.311 394 HD12 ILE 50 2HD1 ILE 50 -3.406 -2.038 -0.854 395 HD13 ILE 50 3HD1 ILE 50 -4.501 -0.661 -0.738 396 H GLN 51 H GLN 51 -2.245 1.956 4.446 397 HA GLN 51 HA GLN 51 -4.312 4.050 4.507 398 HB2 GLN 51 1HB GLN 51 -4.256 2.719 6.624 399 HB3 GLN 51 2HB GLN 51 -2.593 3.240 6.856 400 HG2 GLN 51 1HG GLN 51 -3.648 4.784 8.136 401 HG3 GLN 51 2HG GLN 51 -3.676 5.630 6.590 402 HE21 GLN 51 1HE2 GLN 51 -5.443 6.198 8.653 403 HE22 GLN 51 2HE2 GLN 51 -7.037 5.750 8.163 404 H PHE 52 H PHE 52 -3.611 6.135 4.367 405 HA PHE 52 HA PHE 52 -0.736 6.491 3.864 406 HB2 PHE 52 1HB PHE 52 -3.051 8.237 2.999 407 HB3 PHE 52 2HB PHE 52 -1.361 8.467 2.562 408 HD1 PHE 52 2HD PHE 52 -4.330 6.363 2.073 409 HD2 PHE 52 1HD PHE 52 -0.333 7.165 0.850 410 HE1 PHE 52 2HE PHE 52 -4.650 4.929 0.099 411 HE2 PHE 52 1HE PHE 52 -0.647 5.732 -1.126 412 HZ PHE 52 HZ PHE 52 -2.807 4.613 -1.503 413 HA PRO 53 HA PRO 53 -0.264 9.042 7.409 414 HB2 PRO 53 1HB PRO 53 1.715 10.697 6.563 415 HB3 PRO 53 2HB PRO 53 1.991 9.000 6.973 416 HG2 PRO 53 1HG PRO 53 1.629 10.264 4.284 417 HG3 PRO 53 2HG PRO 53 2.793 9.026 4.791 418 HD2 PRO 53 1HD PRO 53 0.526 8.427 3.434 419 HD3 PRO 53 2HD PRO 53 1.245 7.325 4.626 420 H ASP 54 H ASP 54 -0.408 11.266 8.176 421 HA ASP 54 HA ASP 54 -2.020 12.943 6.370 422 HB2 ASP 54 1HB ASP 54 -2.985 11.961 8.592 423 HB3 ASP 54 2HB ASP 54 -2.052 13.246 9.353 424 H LYS 55 H LYS 55 -1.291 14.902 5.844 425 HA LYS 55 HA LYS 55 1.306 15.745 6.451 426 HB2 LYS 55 1HB LYS 55 0.668 17.875 5.397 427 HB3 LYS 55 2HB LYS 55 0.134 16.492 4.450 428 HG2 LYS 55 1HG LYS 55 -2.126 16.751 5.410 429 HG3 LYS 55 2HG LYS 55 -1.568 18.196 6.258 430 HD2 LYS 55 1HD LYS 55 -0.817 18.929 3.849 431 HD3 LYS 55 2HD LYS 55 -2.040 17.760 3.344 432 HE2 LYS 55 1HE LYS 55 -3.541 19.013 5.070 433 HE3 LYS 55 2HE LYS 55 -2.362 20.308 4.874 434 HZ1 LYS 55 1HZ LYS 55 -3.455 19.098 2.449 435 HZ2 LYS 55 2HZ LYS 55 -3.006 20.702 2.749 436 HZ3 LYS 55 3HZ LYS 55 -4.477 20.111 3.340 437 H ASP 56 H ASP 56 -1.806 16.631 7.866 438 HA ASP 56 HA ASP 56 -1.061 18.773 9.440 439 HB2 ASP 56 1HB ASP 56 -3.384 17.746 9.120 440 HB3 ASP 56 2HB ASP 56 -2.945 16.628 10.407 441 H ASP 57 H ASP 57 -0.778 15.315 10.147 442 HA ASP 57 HA ASP 57 0.061 15.426 12.777 443 HB2 ASP 57 1HB ASP 57 -0.357 13.401 11.134 444 HB3 ASP 57 2HB ASP 57 1.390 13.493 10.925 445 H GLY 58 H GLY 58 2.289 15.033 10.013 446 HA2 GLY 58 1HA GLY 58 4.237 16.303 9.618 447 HA3 GLY 58 2HA GLY 58 4.116 16.953 11.246 448 H ASN 59 H ASN 59 4.545 15.385 13.034 449 HA ASN 59 HA ASN 59 7.054 14.400 13.038 450 HB2 ASN 59 1HB ASN 59 4.601 13.612 14.546 451 HB3 ASN 59 2HB ASN 59 6.041 12.612 14.719 452 HD21 ASN 59 1HD2 ASN 59 5.368 16.094 14.512 453 HD22 ASN 59 2HD2 ASN 59 6.287 16.524 15.910 454 H GLN 60 H GLN 60 4.238 12.834 11.682 455 HA GLN 60 HA GLN 60 5.698 10.373 11.160 456 HB2 GLN 60 1HB GLN 60 2.880 11.155 10.398 457 HB3 GLN 60 2HB GLN 60 3.583 9.550 10.244 458 HG2 GLN 60 1HG GLN 60 3.728 9.306 12.609 459 HG3 GLN 60 2HG GLN 60 3.283 10.993 12.865 460 HE21 GLN 60 1HE2 GLN 60 1.162 11.342 11.254 461 HE22 GLN 60 2HE2 GLN 60 -0.142 10.309 11.725 462 HA PRO 61 HA PRO 61 6.974 11.381 7.081 463 HB2 PRO 61 1HB PRO 61 6.926 8.926 5.924 464 HB3 PRO 61 2HB PRO 61 8.151 9.409 7.102 465 HG2 PRO 61 1HG PRO 61 5.671 7.781 7.507 466 HG3 PRO 61 2HG PRO 61 7.302 7.517 8.153 467 HD2 PRO 61 1HD PRO 61 5.317 8.626 9.621 468 HD3 PRO 61 2HD PRO 61 7.023 9.064 9.837 469 H GLN 62 H GLN 62 5.902 12.298 5.454 470 HA GLN 62 HA GLN 62 3.156 11.506 4.914 471 HB2 GLN 62 1HB GLN 62 4.733 13.761 3.668 472 HB3 GLN 62 2HB GLN 62 2.989 13.545 3.640 473 HG2 GLN 62 1HG GLN 62 4.742 14.335 5.934 474 HG3 GLN 62 2HG GLN 62 3.367 15.195 5.244 475 HE21 GLN 62 1HE2 GLN 62 4.026 14.201 7.999 476 HE22 GLN 62 2HE2 GLN 62 2.630 13.303 8.480 477 H ASP 63 H ASP 63 6.258 10.936 3.666 478 HA ASP 63 HA ASP 63 5.283 10.332 0.979 479 HB2 ASP 63 1HB ASP 63 7.513 10.277 0.282 480 HB3 ASP 63 2HB ASP 63 7.514 11.532 1.518 481 H GLN 64 H GLN 64 5.814 8.791 3.946 482 HA GLN 64 HA GLN 64 6.281 6.167 2.771 483 HB2 GLN 64 1HB GLN 64 6.031 7.064 5.646 484 HB3 GLN 64 2HB GLN 64 6.343 5.407 5.148 485 HG2 GLN 64 1HG GLN 64 8.155 7.530 4.142 486 HG3 GLN 64 2HG GLN 64 8.286 7.049 5.833 487 HE21 GLN 64 1HE2 GLN 64 8.150 5.695 2.566 488 HE22 GLN 64 2HE2 GLN 64 9.240 4.390 2.872 489 H ILE 65 H ILE 65 4.801 4.559 2.638 490 HA ILE 65 HA ILE 65 2.057 5.217 3.489 491 HB ILE 65 HB ILE 65 2.819 3.309 1.281 492 HG12 ILE 65 1HG1 ILE 65 1.805 6.137 0.956 493 HG13 ILE 65 2HG1 ILE 65 3.509 5.705 0.854 494 HG21 ILE 65 1HG2 ILE 65 0.355 3.974 0.672 495 HG22 ILE 65 2HG2 ILE 65 0.682 2.727 1.874 496 HG23 ILE 65 3HG2 ILE 65 0.262 4.360 2.390 497 HD11 ILE 65 1HD1 ILE 65 2.904 5.708 -1.352 498 HD12 ILE 65 2HD1 ILE 65 2.663 4.010 -0.940 499 HD13 ILE 65 3HD1 ILE 65 1.282 5.103 -1.022 500 H THR 66 H THR 66 1.272 4.027 5.084 501 HA THR 66 HA THR 66 2.638 1.633 5.949 502 HB THR 66 HB THR 66 0.045 2.492 7.157 503 HG1 THR 66 1HG THR 66 0.841 4.438 7.419 504 HG21 THR 66 1HG2 THR 66 1.674 2.054 9.210 505 HG22 THR 66 2HG2 THR 66 2.540 1.112 7.996 506 HG23 THR 66 3HG2 THR 66 0.859 0.735 8.371 507 H ILE 67 H ILE 67 1.955 -0.436 5.759 508 HA ILE 67 HA ILE 67 -0.720 -0.968 4.704 509 HB ILE 67 HB ILE 67 1.766 -2.143 3.458 510 HG12 ILE 67 1HG1 ILE 67 -0.187 -0.138 2.310 511 HG13 ILE 67 2HG1 ILE 67 1.426 0.252 2.895 512 HG21 ILE 67 1HG2 ILE 67 0.046 -2.913 1.744 513 HG22 ILE 67 2HG2 ILE 67 0.061 -3.747 3.297 514 HG23 ILE 67 3HG2 ILE 67 -1.170 -2.529 2.962 515 HD11 ILE 67 1HD1 ILE 67 1.541 0.105 0.538 516 HD12 ILE 67 2HD1 ILE 67 2.320 -1.342 1.182 517 HD13 ILE 67 3HD1 ILE 67 0.685 -1.437 0.526 518 H THR 68 H THR 68 -1.627 -2.393 6.016 519 HA THR 68 HA THR 68 0.073 -4.270 7.494 520 HB THR 68 HB THR 68 -2.860 -3.818 8.004 521 HG1 THR 68 1HG THR 68 -0.632 -2.285 8.878 522 HG21 THR 68 1HG2 THR 68 -2.083 -4.409 10.345 523 HG22 THR 68 2HG2 THR 68 -0.543 -4.866 9.619 524 HG23 THR 68 3HG2 THR 68 -2.022 -5.711 9.158 525 H GLY 69 H GLY 69 -0.372 -6.491 7.557 526 HA2 GLY 69 1HA GLY 69 -2.226 -8.129 6.794 527 HA3 GLY 69 2HA GLY 69 -1.864 -7.452 5.213 528 H TYR 70 H TYR 70 -1.616 -10.072 5.359 529 HA TYR 70 HA TYR 70 0.620 -11.302 6.324 530 HB2 TYR 70 1HB TYR 70 -1.024 -11.706 3.867 531 HB3 TYR 70 2HB TYR 70 0.482 -12.604 4.015 532 HD1 TYR 70 1HD TYR 70 -2.618 -11.834 5.949 533 HD2 TYR 70 2HD TYR 70 0.467 -14.643 5.115 534 HE1 TYR 70 1HE TYR 70 -3.755 -13.494 7.363 535 HE2 TYR 70 2HE TYR 70 -0.662 -16.311 6.525 536 HH TYR 70 HH TYR 70 -2.289 -16.625 8.062 537 H GLU 71 H GLU 71 2.733 -11.017 6.101 538 HA GLU 71 HA GLU 71 4.048 -9.046 4.851 539 HB2 GLU 71 1HB GLU 71 5.329 -10.448 6.235 540 HB3 GLU 71 2HB GLU 71 4.902 -11.889 5.323 541 HG2 GLU 71 1HG GLU 71 6.228 -11.022 3.421 542 HG3 GLU 71 2HG GLU 71 6.729 -9.671 4.436 543 H LYS 72 H LYS 72 2.738 -11.880 3.307 544 HA LYS 72 HA LYS 72 4.069 -11.362 0.789 545 HB2 LYS 72 1HB LYS 72 2.047 -13.400 1.700 546 HB3 LYS 72 2HB LYS 72 2.509 -13.244 0.010 547 HG2 LYS 72 1HG LYS 72 4.603 -13.598 2.112 548 HG3 LYS 72 2HG LYS 72 3.699 -14.987 1.504 549 HD2 LYS 72 1HD LYS 72 4.477 -14.642 -0.706 550 HD3 LYS 72 2HD LYS 72 5.109 -13.043 -0.310 551 HE2 LYS 72 1HE LYS 72 6.991 -14.449 -0.399 552 HE3 LYS 72 2HE LYS 72 6.660 -14.227 1.318 553 HZ1 LYS 72 1HZ LYS 72 7.078 -16.597 0.243 554 HZ2 LYS 72 2HZ LYS 72 5.403 -16.514 0.021 555 HZ3 LYS 72 3HZ LYS 72 6.059 -16.376 1.575 556 H ASN 73 H ASN 73 0.646 -11.583 1.782 557 HA ASN 73 HA ASN 73 -0.527 -10.569 -0.483 558 HB2 ASN 73 1HB ASN 73 -1.359 -10.155 2.396 559 HB3 ASN 73 2HB ASN 73 -2.385 -9.812 1.006 560 HD21 ASN 73 1HD2 ASN 73 -3.904 -11.315 1.751 561 HD22 ASN 73 2HD2 ASN 73 -3.650 -13.016 1.580 562 H THR 74 H THR 74 1.219 -8.861 1.996 563 HA THR 74 HA THR 74 0.313 -6.248 1.432 564 HB THR 74 HB THR 74 2.385 -5.486 2.562 565 HG1 THR 74 1HG THR 74 2.995 -8.259 2.429 566 HG21 THR 74 1HG2 THR 74 1.733 -7.542 4.458 567 HG22 THR 74 2HG2 THR 74 0.268 -6.987 3.648 568 HG23 THR 74 3HG2 THR 74 1.307 -5.830 4.481 569 H GLU 75 H GLU 75 3.452 -7.723 0.576 570 HA GLU 75 HA GLU 75 4.474 -5.831 -1.069 571 HB2 GLU 75 1HB GLU 75 4.536 -8.786 -1.699 572 HB3 GLU 75 2HB GLU 75 5.698 -7.576 -2.224 573 HG2 GLU 75 1HG GLU 75 5.990 -7.193 0.352 574 HG3 GLU 75 2HG GLU 75 5.341 -8.829 0.448 575 H ALA 76 H ALA 76 2.247 -8.409 -2.105 576 HA ALA 76 HA ALA 76 2.029 -7.814 -4.779 577 HB1 ALA 76 1HB ALA 76 -0.254 -8.660 -3.002 578 HB2 ALA 76 2HB ALA 76 -0.123 -8.898 -4.745 579 HB3 ALA 76 3HB ALA 76 0.972 -9.747 -3.654 580 H ALA 77 H ALA 77 0.532 -6.179 -2.054 581 HA ALA 77 HA ALA 77 -1.084 -4.480 -3.750 582 HB1 ALA 77 1HB ALA 77 -1.693 -5.318 -1.402 583 HB2 ALA 77 2HB ALA 77 -0.623 -4.043 -0.820 584 HB3 ALA 77 3HB ALA 77 -2.033 -3.633 -1.796 585 H ARG 78 H ARG 78 1.760 -4.121 -1.655 586 HA ARG 78 HA ARG 78 2.131 -1.368 -2.000 587 HB2 ARG 78 1HB ARG 78 4.117 -1.640 -0.881 588 HB3 ARG 78 2HB ARG 78 3.308 -3.134 -0.429 589 HG2 ARG 78 1HG ARG 78 5.324 -3.978 -1.037 590 HG3 ARG 78 2HG ARG 78 4.520 -4.021 -2.607 591 HD2 ARG 78 1HD ARG 78 5.492 -1.588 -2.809 592 HD3 ARG 78 2HD ARG 78 6.633 -2.175 -1.599 593 HE ARG 78 HE ARG 78 6.316 -3.871 -3.920 594 HH11 ARG 78 1HH1 ARG 78 8.091 -1.272 -2.430 595 HH12 ARG 78 2HH1 ARG 78 9.499 -1.496 -3.415 596 HH21 ARG 78 1HH2 ARG 78 8.164 -4.175 -5.222 597 HH22 ARG 78 2HH2 ARG 78 9.539 -3.146 -5.003 598 H ASP 79 H ASP 79 2.803 -4.040 -4.091 599 HA ASP 79 HA ASP 79 4.754 -2.820 -5.737 600 HB2 ASP 79 1HB ASP 79 4.224 -5.279 -5.650 601 HB3 ASP 79 2HB ASP 79 2.759 -4.934 -6.564 602 H ALA 80 H ALA 80 1.258 -2.724 -5.685 603 HA ALA 80 HA ALA 80 0.904 -1.581 -8.262 604 HB1 ALA 80 1HB ALA 80 -0.762 -2.296 -6.006 605 HB2 ALA 80 2HB ALA 80 -1.266 -0.772 -6.737 606 HB3 ALA 80 3HB ALA 80 -1.156 -2.229 -7.724 607 H ILE 81 H ILE 81 0.921 -0.164 -4.994 608 HA ILE 81 HA ILE 81 0.431 2.461 -5.547 609 HB ILE 81 HB ILE 81 2.445 1.355 -3.590 610 HG12 ILE 81 1HG1 ILE 81 -0.345 2.396 -3.091 611 HG13 ILE 81 2HG1 ILE 81 0.010 0.695 -3.369 612 HG21 ILE 81 1HG2 ILE 81 1.467 3.824 -2.689 613 HG22 ILE 81 2HG2 ILE 81 3.106 3.439 -3.210 614 HG23 ILE 81 3HG2 ILE 81 1.937 4.066 -4.372 615 HD11 ILE 81 1HD1 ILE 81 0.239 2.247 -0.963 616 HD12 ILE 81 2HD1 ILE 81 0.325 0.501 -1.190 617 HD13 ILE 81 3HD1 ILE 81 1.776 1.486 -1.370 618 H LEU 82 H LEU 82 3.431 0.701 -6.072 619 HA LEU 82 HA LEU 82 4.909 3.048 -6.840 620 HB2 LEU 82 1HB LEU 82 5.631 0.168 -7.331 621 HB3 LEU 82 2HB LEU 82 6.716 1.556 -7.314 622 HG LEU 82 HG LEU 82 5.259 0.454 -4.911 623 HD11 LEU 82 1HD1 LEU 82 7.850 0.077 -4.369 624 HD12 LEU 82 2HD1 LEU 82 7.892 -0.123 -6.122 625 HD13 LEU 82 3HD1 LEU 82 6.840 -1.145 -5.143 626 HD21 LEU 82 1HD2 LEU 82 6.668 2.933 -5.418 627 HD22 LEU 82 2HD2 LEU 82 7.402 2.016 -4.103 628 HD23 LEU 82 3HD2 LEU 82 5.694 2.451 -4.030 629 H ARG 83 H ARG 83 3.893 0.117 -8.606 630 HA ARG 83 HA ARG 83 4.586 0.703 -11.141 631 HB2 ARG 83 1HB ARG 83 3.164 -1.257 -10.199 632 HB3 ARG 83 2HB ARG 83 1.787 -0.252 -10.629 633 HG2 ARG 83 1HG ARG 83 2.356 -0.298 -12.928 634 HG3 ARG 83 2HG ARG 83 3.935 -1.008 -12.588 635 HD2 ARG 83 1HD ARG 83 2.752 -3.012 -11.683 636 HD3 ARG 83 2HD ARG 83 1.236 -2.303 -12.239 637 HE ARG 83 HE ARG 83 2.847 -2.331 -14.449 638 HH11 ARG 83 1HH1 ARG 83 1.699 -4.718 -12.189 639 HH12 ARG 83 2HH1 ARG 83 1.712 -6.008 -13.345 640 HH21 ARG 83 1HH2 ARG 83 2.867 -4.022 -15.980 641 HH22 ARG 83 2HH2 ARG 83 2.377 -5.612 -15.501 642 H ILE 84 H ILE 84 1.836 2.085 -9.410 643 HA ILE 84 HA ILE 84 0.793 3.532 -11.620 644 HB ILE 84 HB ILE 84 0.444 4.178 -8.692 645 HG12 ILE 84 1HG1 ILE 84 -1.482 2.548 -10.317 646 HG13 ILE 84 2HG1 ILE 84 -0.107 1.773 -9.539 647 HG21 ILE 84 1HG2 ILE 84 -0.442 5.469 -11.033 648 HG22 ILE 84 2HG2 ILE 84 -1.847 4.671 -10.327 649 HG23 ILE 84 3HG2 ILE 84 -0.902 5.809 -9.365 650 HD11 ILE 84 1HD1 ILE 84 -1.388 3.439 -7.633 651 HD12 ILE 84 2HD1 ILE 84 -2.609 2.445 -8.426 652 HD13 ILE 84 3HD1 ILE 84 -1.226 1.683 -7.641 653 H VAL 85 H VAL 85 2.653 4.612 -8.772 654 HA VAL 85 HA VAL 85 2.981 7.254 -9.318 655 HB VAL 85 HB VAL 85 5.019 5.321 -8.218 656 HG11 VAL 85 1HG1 VAL 85 5.693 7.824 -7.278 657 HG12 VAL 85 2HG1 VAL 85 6.546 6.920 -8.530 658 HG13 VAL 85 3HG1 VAL 85 5.326 8.112 -8.978 659 HG21 VAL 85 1HG2 VAL 85 4.155 5.746 -6.166 660 HG22 VAL 85 2HG2 VAL 85 3.723 7.408 -6.569 661 HG23 VAL 85 3HG2 VAL 85 2.702 6.076 -7.110 662 H GLY 86 H GLY 86 5.243 4.721 -10.432 663 HA2 GLY 86 1HA GLY 86 6.998 6.124 -11.923 664 HA3 GLY 86 2HA GLY 86 6.377 4.566 -12.446 665 H GLU 87 H GLU 87 3.718 5.273 -12.965 666 HA GLU 87 HA GLU 87 3.990 6.377 -15.569 667 HB2 GLU 87 1HB GLU 87 1.310 6.228 -14.285 668 HB3 GLU 87 2HB GLU 87 1.807 5.754 -15.902 669 HG2 GLU 87 1HG GLU 87 3.147 3.916 -14.545 670 HG3 GLU 87 2HG GLU 87 1.870 4.222 -13.369 671 H LEU 88 H LEU 88 2.179 7.547 -12.725 672 HA LEU 88 HA LEU 88 1.240 9.922 -13.535 673 HB2 LEU 88 1HB LEU 88 2.791 9.795 -10.972 674 HB3 LEU 88 2HB LEU 88 1.320 10.697 -11.325 675 HG LEU 88 HG LEU 88 1.577 7.725 -10.898 676 HD11 LEU 88 1HD1 LEU 88 0.024 9.804 -9.368 677 HD12 LEU 88 2HD1 LEU 88 1.602 9.180 -8.887 678 HD13 LEU 88 3HD1 LEU 88 0.211 8.098 -8.963 679 HD21 LEU 88 1HD2 LEU 88 -0.953 9.246 -11.476 680 HD22 LEU 88 2HD2 LEU 88 -0.730 7.500 -11.369 681 HD23 LEU 88 3HD2 LEU 88 -0.037 8.397 -12.721 682 H GLU 89 H GLU 89 4.617 9.172 -12.985 683 HA GLU 89 HA GLU 89 5.574 11.846 -13.134 684 HB2 GLU 89 1HB GLU 89 6.800 9.130 -13.229 685 HB3 GLU 89 2HB GLU 89 7.753 10.486 -13.814 686 HG2 GLU 89 1HG GLU 89 6.441 10.522 -11.120 687 HG3 GLU 89 2HG GLU 89 8.030 9.804 -11.378 688 H GLN 90 H GLN 90 5.719 9.168 -15.488 689 HA GLN 90 HA GLN 90 6.791 10.515 -17.628 690 HB2 GLN 90 1HB GLN 90 4.926 8.202 -17.384 691 HB3 GLN 90 2HB GLN 90 5.187 8.894 -18.979 692 HG2 GLN 90 1HG GLN 90 6.663 6.993 -18.523 693 HG3 GLN 90 2HG GLN 90 7.555 8.483 -18.818 694 HE21 GLN 90 1HE2 GLN 90 8.433 9.603 -16.988 695 HE22 GLN 90 2HE2 GLN 90 8.861 8.726 -15.562 696 H MET 91 H MET 91 3.324 10.159 -16.884 697 HA MET 91 HA MET 91 2.459 11.841 -18.998 698 HB2 MET 91 1HB MET 91 0.279 11.807 -17.852 699 HB3 MET 91 2HB MET 91 0.966 10.196 -18.010 700 HG2 MET 91 1HG MET 91 1.829 10.496 -15.643 701 HG3 MET 91 2HG MET 91 0.772 11.902 -15.553 702 HE1 MET 91 1HE MET 91 -1.484 10.833 -13.685 703 HE2 MET 91 2HE MET 91 -1.217 12.030 -14.952 704 HE3 MET 91 3HE MET 91 -2.554 10.887 -15.086 705 H SER 92 H SER 92 1.017 13.815 -18.429 706 HA SER 92 HA SER 92 1.233 16.071 -18.013 707 HB2 SER 92 1HB SER 92 1.447 14.989 -15.194 708 HB3 SER 92 2HB SER 92 0.881 16.593 -15.659 709 HG SER 92 HG SER 92 -1.004 15.668 -15.703 710 H GLY 93 H GLY 93 3.683 15.147 -18.836 711 HA2 GLY 93 1HA GLY 93 5.599 16.359 -16.951 712 HA3 GLY 93 2HA GLY 93 6.016 15.205 -18.209 713 HA PRO 94 HA PRO 94 6.865 19.593 -19.635 714 HB2 PRO 94 1HB PRO 94 9.515 19.235 -20.106 715 HB3 PRO 94 2HB PRO 94 8.879 19.745 -18.538 716 HG2 PRO 94 1HG PRO 94 9.726 17.020 -19.442 717 HG3 PRO 94 2HG PRO 94 10.044 17.837 -17.900 718 HD2 PRO 94 1HD PRO 94 8.107 15.966 -18.185 719 HD3 PRO 94 2HD PRO 94 7.961 17.329 -17.057 720 H SER 95 H SER 95 7.442 20.247 -21.777 721 HA SER 95 HA SER 95 7.106 18.092 -23.730 722 HB2 SER 95 1HB SER 95 5.696 20.311 -23.604 723 HB3 SER 95 2HB SER 95 7.070 20.993 -24.474 724 HG SER 95 HG SER 95 6.321 20.087 -26.201 725 H SER 96 H SER 96 8.631 17.545 -25.179 726 HA SER 96 HA SER 96 11.254 18.776 -24.896 727 HB2 SER 96 1HB SER 96 11.298 16.392 -24.827 728 HB3 SER 96 2HB SER 96 10.294 16.264 -26.272 729 HG SER 96 HG SER 96 11.984 16.842 -27.516 730 H GLY 97 H GLY 97 12.519 19.425 -26.730 731 HA2 GLY 97 1HA GLY 97 11.166 21.125 -28.501 732 HA3 GLY 97 2HA GLY 97 12.841 20.616 -28.664 Start of MODEL 13 1 H1 GLY 1 H GLY 1 9.811 -35.748 22.656 2 HA2 GLY 1 1HA GLY 1 9.592 -37.513 20.564 3 HA3 GLY 1 2HA GLY 1 8.395 -38.057 21.730 4 H SER 2 H SER 2 8.986 -36.009 19.147 5 HA SER 2 HA SER 2 6.715 -34.270 19.829 6 HB2 SER 2 1HB SER 2 9.082 -33.931 18.013 7 HB3 SER 2 2HB SER 2 7.619 -32.986 17.741 8 HG SER 2 HG SER 2 9.550 -32.619 19.571 9 H SER 3 H SER 3 4.836 -34.548 18.829 10 HA SER 3 HA SER 3 4.268 -36.672 17.145 11 HB2 SER 3 1HB SER 3 2.789 -34.045 17.430 12 HB3 SER 3 2HB SER 3 2.136 -35.487 16.652 13 HG SER 3 HG SER 3 2.137 -34.872 19.233 14 H GLY 4 H GLY 4 4.935 -33.286 16.305 15 HA2 GLY 4 1HA GLY 4 6.202 -32.738 14.342 16 HA3 GLY 4 2HA GLY 4 5.575 -34.193 13.579 17 H SER 5 H SER 5 4.556 -31.034 14.844 18 HA SER 5 HA SER 5 2.052 -31.029 13.513 19 HB2 SER 5 1HB SER 5 3.728 -28.855 14.759 20 HB3 SER 5 2HB SER 5 2.190 -28.509 13.973 21 HG SER 5 HG SER 5 1.220 -29.997 15.438 22 H SER 6 H SER 6 1.437 -29.422 11.838 23 HA SER 6 HA SER 6 3.605 -28.882 9.928 24 HB2 SER 6 1HB SER 6 1.084 -30.429 9.475 25 HB3 SER 6 2HB SER 6 1.726 -29.446 8.159 26 HG SER 6 HG SER 6 3.612 -30.626 8.218 27 H GLY 7 H GLY 7 3.686 -26.745 9.721 28 HA2 GLY 7 1HA GLY 7 2.429 -24.921 8.527 29 HA3 GLY 7 2HA GLY 7 1.134 -25.255 9.667 30 H GLU 8 H GLU 8 1.191 -23.079 10.372 31 HA GLU 8 HA GLU 8 3.573 -22.364 11.950 32 HB2 GLU 8 1HB GLU 8 1.567 -20.736 10.444 33 HB3 GLU 8 2HB GLU 8 2.365 -20.026 11.840 34 HG2 GLU 8 1HG GLU 8 3.778 -19.355 10.191 35 HG3 GLU 8 2HG GLU 8 4.532 -20.886 10.630 36 H GLN 9 H GLN 9 3.086 -21.014 13.910 37 HA GLN 9 HA GLN 9 0.596 -21.896 15.209 38 HB2 GLN 9 1HB GLN 9 3.382 -21.816 16.367 39 HB3 GLN 9 2HB GLN 9 1.933 -21.989 17.347 40 HG2 GLN 9 1HG GLN 9 1.463 -24.105 16.498 41 HG3 GLN 9 2HG GLN 9 2.515 -23.879 15.102 42 HE21 GLN 9 1HE2 GLN 9 2.255 -25.637 17.737 43 HE22 GLN 9 2HE2 GLN 9 3.913 -25.835 18.182 44 H GLU 10 H GLU 10 2.971 -19.405 14.729 45 HA GLU 10 HA GLU 10 1.471 -17.587 16.482 46 HB2 GLU 10 1HB GLU 10 3.431 -16.118 16.360 47 HB3 GLU 10 2HB GLU 10 3.867 -17.721 16.937 48 HG2 GLU 10 1HG GLU 10 4.110 -17.122 14.033 49 HG3 GLU 10 2HG GLU 10 5.319 -16.483 15.146 50 H ASP 11 H ASP 11 0.029 -18.057 14.333 51 HA ASP 11 HA ASP 11 0.531 -16.658 11.984 52 HB2 ASP 11 1HB ASP 11 -1.359 -18.301 12.481 53 HB3 ASP 11 2HB ASP 11 -2.215 -16.940 13.199 54 H ARG 12 H ARG 12 -0.999 -15.560 14.983 55 HA ARG 12 HA ARG 12 -1.943 -13.098 14.282 56 HB2 ARG 12 1HB ARG 12 -1.425 -12.376 16.604 57 HB3 ARG 12 2HB ARG 12 -2.213 -13.946 16.524 58 HG2 ARG 12 1HG ARG 12 -0.360 -15.070 17.241 59 HG3 ARG 12 2HG ARG 12 0.756 -13.862 16.599 60 HD2 ARG 12 1HD ARG 12 -0.234 -12.308 18.396 61 HD3 ARG 12 2HD ARG 12 -0.855 -13.787 19.127 62 HE ARG 12 HE ARG 12 1.758 -14.348 18.778 63 HH11 ARG 12 1HH1 ARG 12 0.087 -11.657 20.224 64 HH12 ARG 12 2HH1 ARG 12 1.347 -11.319 21.363 65 HH21 ARG 12 1HH2 ARG 12 3.424 -13.912 20.274 66 HH22 ARG 12 2HH2 ARG 12 3.244 -12.602 21.391 67 H ALA 13 H ALA 13 1.345 -14.125 14.365 68 HA ALA 13 HA ALA 13 2.465 -11.466 14.440 69 HB1 ALA 13 1HB ALA 13 4.610 -12.659 13.971 70 HB2 ALA 13 2HB ALA 13 3.767 -13.210 15.418 71 HB3 ALA 13 3HB ALA 13 3.698 -14.169 13.938 72 H LEU 14 H LEU 14 1.726 -13.901 12.008 73 HA LEU 14 HA LEU 14 3.070 -12.684 9.846 74 HB2 LEU 14 1HB LEU 14 0.741 -14.579 9.989 75 HB3 LEU 14 2HB LEU 14 1.414 -14.021 8.459 76 HG LEU 14 HG LEU 14 3.031 -15.481 10.540 77 HD11 LEU 14 1HD1 LEU 14 2.266 -17.451 9.847 78 HD12 LEU 14 2HD1 LEU 14 2.362 -16.978 8.151 79 HD13 LEU 14 3HD1 LEU 14 0.936 -16.564 9.101 80 HD21 LEU 14 1HD2 LEU 14 3.647 -15.453 7.636 81 HD22 LEU 14 2HD2 LEU 14 4.733 -15.511 9.025 82 HD23 LEU 14 3HD2 LEU 14 3.971 -13.988 8.564 83 H ARG 15 H ARG 15 -0.309 -12.494 10.932 84 HA ARG 15 HA ARG 15 -1.086 -10.656 8.895 85 HB2 ARG 15 1HB ARG 15 -3.175 -10.478 10.096 86 HB3 ARG 15 2HB ARG 15 -2.675 -12.163 10.055 87 HG2 ARG 15 1HG ARG 15 -2.295 -12.254 12.298 88 HG3 ARG 15 2HG ARG 15 -1.884 -10.542 12.409 89 HD2 ARG 15 1HD ARG 15 -3.968 -10.825 13.510 90 HD3 ARG 15 2HD ARG 15 -4.304 -10.037 11.968 91 HE ARG 15 HE ARG 15 -4.533 -12.887 11.836 92 HH11 ARG 15 1HH1 ARG 15 -6.182 -9.949 12.709 93 HH12 ARG 15 2HH1 ARG 15 -7.765 -10.616 12.479 94 HH21 ARG 15 1HH2 ARG 15 -6.611 -13.776 11.530 95 HH22 ARG 15 2HH2 ARG 15 -8.007 -12.792 11.809 96 H SER 16 H SER 16 0.521 -10.349 11.902 97 HA SER 16 HA SER 16 -0.156 -7.532 12.205 98 HB2 SER 16 1HB SER 16 0.952 -7.629 14.312 99 HB3 SER 16 2HB SER 16 0.053 -9.139 14.166 100 HG SER 16 HG SER 16 2.806 -8.683 14.090 101 H PHE 17 H PHE 17 1.196 -8.148 9.827 102 HA PHE 17 HA PHE 17 3.939 -7.217 10.274 103 HB2 PHE 17 1HB PHE 17 4.120 -9.009 8.839 104 HB3 PHE 17 2HB PHE 17 2.565 -8.693 8.077 105 HD1 PHE 17 2HD PHE 17 2.381 -6.765 6.464 106 HD2 PHE 17 1HD PHE 17 6.112 -8.240 7.886 107 HE1 PHE 17 2HE PHE 17 3.526 -5.678 4.577 108 HE2 PHE 17 1HE PHE 17 7.263 -7.154 6.002 109 HZ PHE 17 HZ PHE 17 5.970 -5.872 4.343 110 H LYS 18 H LYS 18 4.468 -5.168 9.934 111 HA LYS 18 HA LYS 18 2.598 -3.472 8.421 112 HB2 LYS 18 1HB LYS 18 3.097 -2.981 10.882 113 HB3 LYS 18 2HB LYS 18 4.701 -2.497 10.347 114 HG2 LYS 18 1HG LYS 18 3.307 -0.994 8.683 115 HG3 LYS 18 2HG LYS 18 2.079 -1.169 9.939 116 HD2 LYS 18 1HD LYS 18 3.158 0.697 10.705 117 HD3 LYS 18 2HD LYS 18 4.109 -0.552 11.515 118 HE2 LYS 18 1HE LYS 18 5.610 -0.460 9.428 119 HE3 LYS 18 2HE LYS 18 4.801 1.068 9.087 120 HZ1 LYS 18 1HZ LYS 18 6.539 0.376 11.370 121 HZ2 LYS 18 2HZ LYS 18 5.455 1.671 11.465 122 HZ3 LYS 18 3HZ LYS 18 6.673 1.674 10.292 123 H LEU 19 H LEU 19 3.235 -2.721 6.515 124 HA LEU 19 HA LEU 19 6.103 -2.799 5.866 125 HB2 LEU 19 1HB LEU 19 4.866 -4.208 4.411 126 HB3 LEU 19 2HB LEU 19 3.645 -2.967 4.142 127 HG LEU 19 HG LEU 19 5.584 -1.633 3.060 128 HD11 LEU 19 1HD1 LEU 19 7.367 -3.137 3.825 129 HD12 LEU 19 2HD1 LEU 19 7.324 -2.995 2.068 130 HD13 LEU 19 3HD1 LEU 19 6.675 -4.435 2.852 131 HD21 LEU 19 1HD2 LEU 19 4.505 -2.130 1.183 132 HD22 LEU 19 2HD2 LEU 19 3.625 -3.362 2.088 133 HD23 LEU 19 3HD2 LEU 19 5.096 -3.791 1.212 134 H SER 20 H SER 20 7.009 -1.076 4.619 135 HA SER 20 HA SER 20 5.488 1.440 4.708 136 HB2 SER 20 1HB SER 20 7.163 2.604 5.787 137 HB3 SER 20 2HB SER 20 7.350 1.024 6.546 138 HG SER 20 HG SER 20 9.306 1.071 5.809 139 H VAL 21 H VAL 21 5.323 2.264 2.741 140 HA VAL 21 HA VAL 21 7.370 1.597 0.740 141 HB VAL 21 HB VAL 21 4.651 2.768 0.173 142 HG11 VAL 21 1HG1 VAL 21 6.004 1.001 -1.750 143 HG12 VAL 21 2HG1 VAL 21 5.136 2.515 -2.011 144 HG13 VAL 21 3HG1 VAL 21 6.807 2.541 -1.446 145 HG21 VAL 21 1HG2 VAL 21 5.458 -0.126 0.403 146 HG22 VAL 21 2HG2 VAL 21 4.211 0.720 1.320 147 HG23 VAL 21 3HG2 VAL 21 3.988 0.421 -0.404 148 H THR 22 H THR 22 8.528 3.146 -0.278 149 HA THR 22 HA THR 22 8.311 5.859 0.772 150 HB THR 22 HB THR 22 10.438 4.801 -1.090 151 HG1 THR 22 1HG THR 22 10.551 3.526 0.736 152 HG21 THR 22 1HG2 THR 22 10.220 7.191 0.729 153 HG22 THR 22 2HG2 THR 22 10.502 7.165 -1.011 154 HG23 THR 22 3HG2 THR 22 11.762 6.617 0.095 155 H VAL 23 H VAL 23 6.835 7.050 -0.281 156 HA VAL 23 HA VAL 23 7.230 7.507 -3.126 157 HB VAL 23 HB VAL 23 4.547 6.659 -2.023 158 HG11 VAL 23 1HG1 VAL 23 3.564 7.214 -4.025 159 HG12 VAL 23 2HG1 VAL 23 4.750 8.510 -3.867 160 HG13 VAL 23 3HG1 VAL 23 5.082 7.134 -4.918 161 HG21 VAL 23 1HG2 VAL 23 4.753 4.757 -3.532 162 HG22 VAL 23 2HG2 VAL 23 6.342 5.321 -4.047 163 HG23 VAL 23 3HG2 VAL 23 6.092 4.789 -2.385 164 H ASP 24 H ASP 24 7.078 9.608 -3.565 165 HA ASP 24 HA ASP 24 6.832 11.616 -1.756 166 HB2 ASP 24 1HB ASP 24 5.927 11.694 -4.643 167 HB3 ASP 24 2HB ASP 24 6.234 13.111 -3.641 168 HA PRO 25 HA PRO 25 2.645 11.769 -0.409 169 HB2 PRO 25 1HB PRO 25 2.551 14.355 0.412 170 HB3 PRO 25 2HB PRO 25 3.404 13.093 1.308 171 HG2 PRO 25 1HG PRO 25 4.495 15.144 -0.581 172 HG3 PRO 25 2HG PRO 25 5.142 14.604 0.979 173 HD2 PRO 25 1HD PRO 25 6.116 13.717 -1.385 174 HD3 PRO 25 2HD PRO 25 6.089 12.708 0.074 175 H LYS 26 H LYS 26 3.742 13.181 -3.181 176 HA LYS 26 HA LYS 26 1.508 14.893 -3.768 177 HB2 LYS 26 1HB LYS 26 2.501 15.086 -5.991 178 HB3 LYS 26 2HB LYS 26 3.719 15.317 -4.744 179 HG2 LYS 26 1HG LYS 26 4.143 12.762 -5.099 180 HG3 LYS 26 2HG LYS 26 3.366 13.060 -6.656 181 HD2 LYS 26 1HD LYS 26 5.584 14.834 -5.707 182 HD3 LYS 26 2HD LYS 26 5.946 13.277 -6.453 183 HE2 LYS 26 1HE LYS 26 5.993 14.749 -8.250 184 HE3 LYS 26 2HE LYS 26 4.371 14.063 -8.336 185 HZ1 LYS 26 1HZ LYS 26 3.870 16.151 -6.820 186 HZ2 LYS 26 2HZ LYS 26 3.851 16.244 -8.509 187 HZ3 LYS 26 3HZ LYS 26 5.209 16.772 -7.648 188 H TYR 27 H TYR 27 2.573 11.670 -4.811 189 HA TYR 27 HA TYR 27 0.224 11.248 -6.415 190 HB2 TYR 27 1HB TYR 27 2.269 9.218 -5.500 191 HB3 TYR 27 2HB TYR 27 1.125 9.038 -6.825 192 HD1 TYR 27 2HD TYR 27 1.376 11.620 -8.205 193 HD2 TYR 27 1HD TYR 27 4.374 9.137 -6.487 194 HE1 TYR 27 2HE TYR 27 3.033 12.552 -9.765 195 HE2 TYR 27 1HE TYR 27 6.040 10.062 -8.043 196 HH TYR 27 HH TYR 27 5.541 12.843 -9.829 197 H HIS 28 H HIS 28 1.009 10.922 -3.122 198 HA HIS 28 HA HIS 28 -0.384 8.742 -2.222 199 HB2 HIS 28 1HB HIS 28 0.267 11.400 -1.086 200 HB3 HIS 28 2HB HIS 28 -1.008 10.500 -0.271 201 HD2 HIS 28 2HD HIS 28 2.081 8.580 -1.690 202 HE1 HIS 28 1HE HIS 28 2.311 8.579 2.547 203 HE2 HIS 28 2HE HIS 28 3.351 7.753 0.406 204 HA PRO 29 HA PRO 29 -4.495 11.268 -2.067 205 HB2 PRO 29 1HB PRO 29 -4.517 13.701 -3.270 206 HB3 PRO 29 2HB PRO 29 -4.077 13.472 -1.574 207 HG2 PRO 29 1HG PRO 29 -2.304 13.806 -3.962 208 HG3 PRO 29 2HG PRO 29 -2.159 14.532 -2.351 209 HD2 PRO 29 1HD PRO 29 -0.696 12.387 -3.118 210 HD3 PRO 29 2HD PRO 29 -1.221 12.633 -1.441 211 H LYS 30 H LYS 30 -2.475 10.799 -4.722 212 HA LYS 30 HA LYS 30 -4.577 11.125 -6.714 213 HB2 LYS 30 1HB LYS 30 -1.667 10.348 -6.940 214 HB3 LYS 30 2HB LYS 30 -2.765 10.420 -8.311 215 HG2 LYS 30 1HG LYS 30 -2.375 12.796 -6.535 216 HG3 LYS 30 2HG LYS 30 -1.240 12.433 -7.837 217 HD2 LYS 30 1HD LYS 30 -3.140 12.429 -9.430 218 HD3 LYS 30 2HD LYS 30 -4.209 12.908 -8.110 219 HE2 LYS 30 1HE LYS 30 -3.365 15.030 -8.017 220 HE3 LYS 30 2HE LYS 30 -1.771 14.539 -8.591 221 HZ1 LYS 30 1HZ LYS 30 -3.198 14.047 -10.755 222 HZ2 LYS 30 2HZ LYS 30 -2.506 15.560 -10.450 223 HZ3 LYS 30 3HZ LYS 30 -4.141 15.294 -10.108 224 H ILE 31 H ILE 31 -2.732 8.592 -5.118 225 HA ILE 31 HA ILE 31 -3.668 6.447 -6.719 226 HB ILE 31 HB ILE 31 -2.677 6.337 -3.869 227 HG12 ILE 31 1HG1 ILE 31 -1.013 5.739 -6.292 228 HG13 ILE 31 2HG1 ILE 31 -1.196 7.400 -5.740 229 HG21 ILE 31 1HG2 ILE 31 -3.510 4.242 -4.148 230 HG22 ILE 31 2HG2 ILE 31 -3.356 4.294 -5.902 231 HG23 ILE 31 3HG2 ILE 31 -1.934 4.004 -4.901 232 HD11 ILE 31 1HD1 ILE 31 0.792 5.868 -4.937 233 HD12 ILE 31 2HD1 ILE 31 0.046 7.058 -3.870 234 HD13 ILE 31 3HD1 ILE 31 -0.402 5.357 -3.745 235 H ILE 32 H ILE 32 -4.720 7.770 -3.600 236 HA ILE 32 HA ILE 32 -6.638 5.965 -2.859 237 HB ILE 32 HB ILE 32 -6.805 8.972 -2.651 238 HG12 ILE 32 1HG1 ILE 32 -6.037 7.016 -0.493 239 HG13 ILE 32 2HG1 ILE 32 -4.842 7.691 -1.595 240 HG21 ILE 32 1HG2 ILE 32 -8.285 6.961 -0.974 241 HG22 ILE 32 2HG2 ILE 32 -8.498 8.711 -1.017 242 HG23 ILE 32 3HG2 ILE 32 -8.987 7.729 -2.398 243 HD11 ILE 32 1HD1 ILE 32 -6.656 9.374 0.106 244 HD12 ILE 32 2HD1 ILE 32 -5.048 8.852 0.606 245 HD13 ILE 32 3HD1 ILE 32 -5.238 9.889 -0.807 246 H GLY 33 H GLY 33 -7.119 8.752 -5.029 247 HA2 GLY 33 1HA GLY 33 -8.431 8.448 -7.051 248 HA3 GLY 33 2HA GLY 33 -9.444 7.324 -6.155 249 H ARG 34 H ARG 34 -10.660 9.288 -7.555 250 HA ARG 34 HA ARG 34 -11.097 11.760 -6.513 251 HB2 ARG 34 1HB ARG 34 -13.078 9.813 -7.688 252 HB3 ARG 34 2HB ARG 34 -13.506 11.471 -7.287 253 HG2 ARG 34 1HG ARG 34 -11.903 12.323 -8.862 254 HG3 ARG 34 2HG ARG 34 -11.307 10.694 -9.188 255 HD2 ARG 34 1HD ARG 34 -13.379 10.063 -10.196 256 HD3 ARG 34 2HD ARG 34 -14.148 11.561 -9.677 257 HE ARG 34 HE ARG 34 -12.605 11.174 -12.024 258 HH11 ARG 34 1HH1 ARG 34 -13.310 13.506 -9.537 259 HH12 ARG 34 2HH1 ARG 34 -12.963 14.875 -10.541 260 HH21 ARG 34 1HH2 ARG 34 -12.146 12.969 -13.355 261 HH22 ARG 34 2HH2 ARG 34 -12.303 14.568 -12.712 262 H LYS 35 H LYS 35 -13.095 8.936 -5.633 263 HA LYS 35 HA LYS 35 -13.778 10.289 -3.120 264 HB2 LYS 35 1HB LYS 35 -15.691 9.592 -4.435 265 HB3 LYS 35 2HB LYS 35 -15.066 7.951 -4.538 266 HG2 LYS 35 1HG LYS 35 -16.777 7.917 -2.918 267 HG3 LYS 35 2HG LYS 35 -15.255 7.843 -2.028 268 HD2 LYS 35 1HD LYS 35 -16.326 9.450 -0.811 269 HD3 LYS 35 2HD LYS 35 -15.553 10.474 -2.023 270 HE2 LYS 35 1HE LYS 35 -17.542 10.752 -3.222 271 HE3 LYS 35 2HE LYS 35 -18.312 9.374 -2.439 272 HZ1 LYS 35 1HZ LYS 35 -19.235 10.856 -1.089 273 HZ2 LYS 35 2HZ LYS 35 -18.228 12.108 -1.617 274 HZ3 LYS 35 3HZ LYS 35 -17.711 11.069 -0.385 275 H GLY 36 H GLY 36 -12.361 7.352 -4.429 276 HA2 GLY 36 1HA GLY 36 -10.494 6.528 -2.941 277 HA3 GLY 36 2HA GLY 36 -11.712 6.506 -1.674 278 H ALA 37 H ALA 37 -12.233 5.538 -5.018 279 HA ALA 37 HA ALA 37 -13.072 2.909 -4.079 280 HB1 ALA 37 1HB ALA 37 -13.283 4.119 -6.834 281 HB2 ALA 37 2HB ALA 37 -14.043 2.626 -6.282 282 HB3 ALA 37 3HB ALA 37 -14.539 4.173 -5.596 283 H VAL 38 H VAL 38 -10.792 4.336 -6.394 284 HA VAL 38 HA VAL 38 -9.725 2.112 -7.571 285 HB VAL 38 HB VAL 38 -8.185 4.529 -6.615 286 HG11 VAL 38 1HG1 VAL 38 -7.399 2.845 -8.953 287 HG12 VAL 38 2HG1 VAL 38 -6.410 3.907 -7.949 288 HG13 VAL 38 3HG1 VAL 38 -6.945 2.347 -7.324 289 HG21 VAL 38 1HG2 VAL 38 -10.212 4.268 -8.567 290 HG22 VAL 38 2HG2 VAL 38 -9.204 5.674 -8.223 291 HG23 VAL 38 3HG2 VAL 38 -8.686 4.489 -9.423 292 H ILE 39 H ILE 39 -8.481 3.605 -4.577 293 HA ILE 39 HA ILE 39 -6.569 1.682 -3.976 294 HB ILE 39 HB ILE 39 -6.745 3.850 -2.814 295 HG12 ILE 39 1HG1 ILE 39 -6.313 2.951 -0.490 296 HG13 ILE 39 2HG1 ILE 39 -6.775 1.364 -1.096 297 HG21 ILE 39 1HG2 ILE 39 -9.326 3.473 -2.551 298 HG22 ILE 39 2HG2 ILE 39 -8.850 2.745 -1.018 299 HG23 ILE 39 3HG2 ILE 39 -8.431 4.422 -1.365 300 HD11 ILE 39 1HD1 ILE 39 -4.783 2.598 -2.779 301 HD12 ILE 39 2HD1 ILE 39 -4.244 2.476 -1.104 302 HD13 ILE 39 3HD1 ILE 39 -4.768 1.032 -1.969 303 H THR 40 H THR 40 -10.005 1.786 -3.153 304 HA THR 40 HA THR 40 -10.174 -0.314 -1.372 305 HB THR 40 HB THR 40 -12.202 0.261 -3.540 306 HG1 THR 40 1HG THR 40 -11.741 2.169 -2.406 307 HG21 THR 40 1HG2 THR 40 -13.430 -1.308 -2.546 308 HG22 THR 40 2HG2 THR 40 -13.356 -0.401 -1.035 309 HG23 THR 40 3HG2 THR 40 -12.130 -1.614 -1.396 310 H GLN 41 H GLN 41 -10.676 -0.540 -4.902 311 HA GLN 41 HA GLN 41 -10.983 -3.241 -5.166 312 HB2 GLN 41 1HB GLN 41 -11.164 -1.669 -7.037 313 HB3 GLN 41 2HB GLN 41 -9.424 -1.421 -7.008 314 HG2 GLN 41 1HG GLN 41 -10.013 -2.916 -8.798 315 HG3 GLN 41 2HG GLN 41 -9.089 -3.783 -7.572 316 HE21 GLN 41 1HE2 GLN 41 -9.938 -5.739 -8.393 317 HE22 GLN 41 2HE2 GLN 41 -11.544 -6.243 -8.006 318 H ILE 42 H ILE 42 -7.887 -1.487 -5.159 319 HA ILE 42 HA ILE 42 -6.211 -3.698 -5.464 320 HB ILE 42 HB ILE 42 -5.664 -1.126 -3.977 321 HG12 ILE 42 1HG1 ILE 42 -4.778 -1.849 -6.763 322 HG13 ILE 42 2HG1 ILE 42 -6.331 -1.077 -6.464 323 HG21 ILE 42 1HG2 ILE 42 -3.607 -1.843 -3.529 324 HG22 ILE 42 2HG2 ILE 42 -4.151 -3.456 -3.991 325 HG23 ILE 42 3HG2 ILE 42 -3.376 -2.412 -5.183 326 HD11 ILE 42 1HD1 ILE 42 -4.721 0.576 -5.095 327 HD12 ILE 42 2HD1 ILE 42 -3.613 0.032 -6.354 328 HD13 ILE 42 3HD1 ILE 42 -5.141 0.795 -6.793 329 H ARG 43 H ARG 43 -7.284 -2.085 -2.476 330 HA ARG 43 HA ARG 43 -5.953 -3.721 -0.659 331 HB2 ARG 43 1HB ARG 43 -8.599 -2.290 -0.372 332 HB3 ARG 43 2HB ARG 43 -7.709 -3.008 0.964 333 HG2 ARG 43 1HG ARG 43 -5.823 -1.496 0.484 334 HG3 ARG 43 2HG ARG 43 -6.783 -0.745 -0.793 335 HD2 ARG 43 1HD ARG 43 -7.829 -0.932 2.008 336 HD3 ARG 43 2HD ARG 43 -6.718 0.357 1.546 337 HE ARG 43 HE ARG 43 -8.721 0.370 -0.346 338 HH11 ARG 43 1HH1 ARG 43 -8.490 0.766 3.105 339 HH12 ARG 43 2HH1 ARG 43 -9.857 1.827 3.206 340 HH21 ARG 43 1HH2 ARG 43 -10.522 1.764 -0.226 341 HH22 ARG 43 2HH2 ARG 43 -11.012 2.392 1.311 342 H LEU 44 H LEU 44 -9.355 -3.968 -1.710 343 HA LEU 44 HA LEU 44 -9.919 -6.374 -0.405 344 HB2 LEU 44 1HB LEU 44 -11.094 -5.021 -2.809 345 HB3 LEU 44 2HB LEU 44 -11.691 -6.586 -2.263 346 HG LEU 44 HG LEU 44 -11.626 -4.156 -0.487 347 HD11 LEU 44 1HD1 LEU 44 -13.017 -3.960 -2.656 348 HD12 LEU 44 2HD1 LEU 44 -13.777 -3.572 -1.112 349 HD13 LEU 44 3HD1 LEU 44 -14.088 -5.129 -1.881 350 HD21 LEU 44 1HD2 LEU 44 -13.700 -6.055 0.030 351 HD22 LEU 44 2HD2 LEU 44 -12.379 -5.537 1.077 352 HD23 LEU 44 3HD2 LEU 44 -12.146 -6.886 -0.037 353 H GLU 45 H GLU 45 -8.550 -5.738 -3.589 354 HA GLU 45 HA GLU 45 -8.694 -8.290 -4.683 355 HB2 GLU 45 1HB GLU 45 -8.020 -6.413 -6.034 356 HB3 GLU 45 2HB GLU 45 -6.602 -6.140 -5.031 357 HG2 GLU 45 1HG GLU 45 -5.574 -8.144 -5.806 358 HG3 GLU 45 2HG GLU 45 -7.046 -8.641 -6.639 359 H HIS 46 H HIS 46 -5.976 -6.841 -2.885 360 HA HIS 46 HA HIS 46 -4.736 -9.458 -2.610 361 HB2 HIS 46 1HB HIS 46 -3.817 -6.746 -1.633 362 HB3 HIS 46 2HB HIS 46 -2.870 -8.230 -1.584 363 HD1 HIS 46 1HD HIS 46 -2.578 -9.332 -4.139 364 HD2 HIS 46 2HD HIS 46 -3.280 -5.251 -3.812 365 HE1 HIS 46 1HE HIS 46 -1.818 -8.342 -6.323 366 H ASP 47 H ASP 47 -7.121 -7.876 -1.038 367 HA ASP 47 HA ASP 47 -8.082 -8.027 1.020 368 HB2 ASP 47 1HB ASP 47 -6.373 -10.509 1.283 369 HB3 ASP 47 2HB ASP 47 -7.817 -10.130 2.219 370 H VAL 48 H VAL 48 -5.889 -6.320 0.875 371 HA VAL 48 HA VAL 48 -4.729 -6.630 3.567 372 HB VAL 48 HB VAL 48 -2.764 -5.324 2.736 373 HG11 VAL 48 1HG1 VAL 48 -2.052 -7.450 2.857 374 HG12 VAL 48 2HG1 VAL 48 -3.463 -8.079 2.005 375 HG13 VAL 48 3HG1 VAL 48 -2.118 -7.389 1.096 376 HG21 VAL 48 1HG2 VAL 48 -2.940 -5.949 -0.022 377 HG22 VAL 48 2HG2 VAL 48 -4.408 -5.081 0.427 378 HG23 VAL 48 3HG2 VAL 48 -2.829 -4.360 0.736 379 H ASN 49 H ASN 49 -4.000 -4.503 4.502 380 HA ASN 49 HA ASN 49 -6.021 -2.452 3.904 381 HB2 ASN 49 1HB ASN 49 -5.805 -3.611 6.236 382 HB3 ASN 49 2HB ASN 49 -4.435 -2.525 6.451 383 HD21 ASN 49 1HD2 ASN 49 -6.559 -2.367 8.128 384 HD22 ASN 49 2HD2 ASN 49 -7.439 -0.909 7.839 385 H ILE 50 H ILE 50 -5.297 -0.762 2.808 386 HA ILE 50 HA ILE 50 -2.488 0.054 3.161 387 HB ILE 50 HB ILE 50 -4.312 0.527 0.800 388 HG12 ILE 50 1HG1 ILE 50 -1.790 -1.129 0.937 389 HG13 ILE 50 2HG1 ILE 50 -3.399 -1.812 1.144 390 HG21 ILE 50 1HG2 ILE 50 -2.794 2.397 1.141 391 HG22 ILE 50 2HG2 ILE 50 -1.424 1.289 1.213 392 HG23 ILE 50 3HG2 ILE 50 -2.329 1.473 -0.289 393 HD11 ILE 50 1HD1 ILE 50 -1.982 -1.288 -1.254 394 HD12 ILE 50 2HD1 ILE 50 -3.573 -2.022 -1.045 395 HD13 ILE 50 3HD1 ILE 50 -3.425 -0.273 -1.226 396 H GLN 51 H GLN 51 -2.306 1.752 4.460 397 HA GLN 51 HA GLN 51 -4.338 3.878 4.281 398 HB2 GLN 51 1HB GLN 51 -2.954 2.647 6.607 399 HB3 GLN 51 2HB GLN 51 -3.272 4.375 6.681 400 HG2 GLN 51 1HG GLN 51 -5.401 2.343 6.078 401 HG3 GLN 51 2HG GLN 51 -5.009 2.880 7.711 402 HE21 GLN 51 1HE2 GLN 51 -7.201 3.617 7.820 403 HE22 GLN 51 2HE2 GLN 51 -7.641 5.135 7.122 404 H PHE 52 H PHE 52 -3.622 6.049 4.469 405 HA PHE 52 HA PHE 52 -0.779 6.407 3.782 406 HB2 PHE 52 1HB PHE 52 -3.095 8.188 2.998 407 HB3 PHE 52 2HB PHE 52 -1.421 8.355 2.481 408 HD1 PHE 52 2HD PHE 52 -4.439 6.258 2.207 409 HD2 PHE 52 1HD PHE 52 -0.563 7.107 0.669 410 HE1 PHE 52 2HE PHE 52 -4.903 4.827 0.260 411 HE2 PHE 52 1HE PHE 52 -1.021 5.678 -1.281 412 HZ PHE 52 HZ PHE 52 -3.192 4.535 -1.488 413 HA PRO 53 HA PRO 53 -0.240 8.944 7.324 414 HB2 PRO 53 1HB PRO 53 1.673 10.652 6.433 415 HB3 PRO 53 2HB PRO 53 2.001 8.958 6.813 416 HG2 PRO 53 1HG PRO 53 1.520 10.243 4.153 417 HG3 PRO 53 2HG PRO 53 2.727 9.025 4.606 418 HD2 PRO 53 1HD PRO 53 0.430 8.392 3.319 419 HD3 PRO 53 2HD PRO 53 1.213 7.292 4.472 420 H ASP 54 H ASP 54 -0.568 11.062 8.173 421 HA ASP 54 HA ASP 54 -2.301 12.707 6.472 422 HB2 ASP 54 1HB ASP 54 -2.903 11.764 8.867 423 HB3 ASP 54 2HB ASP 54 -2.009 13.183 9.408 424 H LYS 55 H LYS 55 -1.556 14.541 5.658 425 HA LYS 55 HA LYS 55 1.034 15.514 6.135 426 HB2 LYS 55 1HB LYS 55 0.445 17.360 4.714 427 HB3 LYS 55 2HB LYS 55 -0.304 15.907 4.064 428 HG2 LYS 55 1HG LYS 55 -1.845 17.694 5.896 429 HG3 LYS 55 2HG LYS 55 -1.660 18.108 4.189 430 HD2 LYS 55 1HD LYS 55 -2.416 15.604 3.852 431 HD3 LYS 55 2HD LYS 55 -3.121 15.839 5.453 432 HE2 LYS 55 1HE LYS 55 -4.202 17.927 4.524 433 HE3 LYS 55 2HE LYS 55 -3.692 17.376 2.929 434 HZ1 LYS 55 1HZ LYS 55 -5.929 16.675 3.313 435 HZ2 LYS 55 2HZ LYS 55 -5.522 15.968 4.795 436 HZ3 LYS 55 3HZ LYS 55 -4.940 15.302 3.353 437 H ASP 56 H ASP 56 -1.979 16.109 7.723 438 HA ASP 56 HA ASP 56 -1.347 18.601 8.911 439 HB2 ASP 56 1HB ASP 56 -3.641 17.447 8.710 440 HB3 ASP 56 2HB ASP 56 -3.169 16.551 10.151 441 H ASP 57 H ASP 57 -0.925 15.252 9.960 442 HA ASP 57 HA ASP 57 -0.100 15.688 12.575 443 HB2 ASP 57 1HB ASP 57 -0.498 13.476 11.193 444 HB3 ASP 57 2HB ASP 57 1.244 13.569 10.949 445 H GLY 58 H GLY 58 1.952 15.361 9.672 446 HA2 GLY 58 1HA GLY 58 3.916 16.497 9.173 447 HA3 GLY 58 2HA GLY 58 3.805 17.315 10.724 448 H ASN 59 H ASN 59 4.250 15.888 12.662 449 HA ASN 59 HA ASN 59 6.791 15.048 12.808 450 HB2 ASN 59 1HB ASN 59 4.364 13.950 14.214 451 HB3 ASN 59 2HB ASN 59 5.985 13.377 14.594 452 HD21 ASN 59 1HD2 ASN 59 7.566 15.385 14.772 453 HD22 ASN 59 2HD2 ASN 59 7.015 16.601 15.867 454 H GLN 60 H GLN 60 4.100 13.111 11.610 455 HA GLN 60 HA GLN 60 5.809 10.813 11.147 456 HB2 GLN 60 1HB GLN 60 2.921 11.235 10.363 457 HB3 GLN 60 2HB GLN 60 3.792 9.708 10.359 458 HG2 GLN 60 1HG GLN 60 3.919 9.670 12.723 459 HG3 GLN 60 2HG GLN 60 3.358 11.337 12.844 460 HE21 GLN 60 1HE2 GLN 60 1.185 11.538 11.436 461 HE22 GLN 60 2HE2 GLN 60 -0.030 10.409 11.917 462 HA PRO 61 HA PRO 61 6.900 11.703 6.990 463 HB2 PRO 61 1HB PRO 61 7.027 9.200 5.948 464 HB3 PRO 61 2HB PRO 61 8.233 9.833 7.072 465 HG2 PRO 61 1HG PRO 61 5.902 8.035 7.612 466 HG3 PRO 61 2HG PRO 61 7.561 7.931 8.230 467 HD2 PRO 61 1HD PRO 61 5.523 8.949 9.693 468 HD3 PRO 61 2HD PRO 61 7.192 9.530 9.847 469 H GLN 62 H GLN 62 5.684 12.497 5.403 470 HA GLN 62 HA GLN 62 3.014 11.455 4.953 471 HB2 GLN 62 1HB GLN 62 4.424 13.781 3.634 472 HB3 GLN 62 2HB GLN 62 2.710 13.403 3.515 473 HG2 GLN 62 1HG GLN 62 4.244 14.438 5.867 474 HG3 GLN 62 2HG GLN 62 2.827 15.126 5.075 475 HE21 GLN 62 1HE2 GLN 62 3.551 14.141 7.888 476 HE22 GLN 62 2HE2 GLN 62 2.187 13.180 8.337 477 H ASP 63 H ASP 63 6.123 11.081 3.634 478 HA ASP 63 HA ASP 63 5.152 10.297 1.001 479 HB2 ASP 63 1HB ASP 63 7.353 10.374 0.275 480 HB3 ASP 63 2HB ASP 63 7.356 11.597 1.542 481 H GLN 64 H GLN 64 5.685 8.888 4.011 482 HA GLN 64 HA GLN 64 6.277 6.243 2.929 483 HB2 GLN 64 1HB GLN 64 6.151 7.362 5.721 484 HB3 GLN 64 2HB GLN 64 6.242 5.631 5.423 485 HG2 GLN 64 1HG GLN 64 8.244 7.394 4.117 486 HG3 GLN 64 2HG GLN 64 8.396 7.078 5.845 487 HE21 GLN 64 1HE2 GLN 64 8.118 5.516 2.698 488 HE22 GLN 64 2HE2 GLN 64 8.993 4.089 3.128 489 H ILE 65 H ILE 65 4.821 4.649 2.737 490 HA ILE 65 HA ILE 65 2.080 5.204 3.657 491 HB ILE 65 HB ILE 65 3.004 3.440 1.387 492 HG12 ILE 65 1HG1 ILE 65 1.329 5.945 1.237 493 HG13 ILE 65 2HG1 ILE 65 3.083 5.977 1.103 494 HG21 ILE 65 1HG2 ILE 65 0.295 3.806 1.114 495 HG22 ILE 65 2HG2 ILE 65 1.084 2.357 1.736 496 HG23 ILE 65 3HG2 ILE 65 0.492 3.587 2.853 497 HD11 ILE 65 1HD1 ILE 65 2.625 4.165 -0.754 498 HD12 ILE 65 2HD1 ILE 65 1.051 4.960 -0.798 499 HD13 ILE 65 3HD1 ILE 65 2.518 5.893 -1.094 500 H THR 66 H THR 66 1.125 3.859 5.055 501 HA THR 66 HA THR 66 2.642 1.523 5.957 502 HB THR 66 HB THR 66 0.150 2.495 7.311 503 HG1 THR 66 1HG THR 66 1.397 4.016 8.433 504 HG21 THR 66 1HG2 THR 66 0.904 0.605 8.390 505 HG22 THR 66 2HG2 THR 66 1.756 1.858 9.293 506 HG23 THR 66 3HG2 THR 66 2.597 0.948 8.038 507 H ILE 67 H ILE 67 1.966 -0.518 5.676 508 HA ILE 67 HA ILE 67 -0.802 -1.002 4.836 509 HB ILE 67 HB ILE 67 1.594 -2.174 3.419 510 HG12 ILE 67 1HG1 ILE 67 -0.470 -0.316 2.249 511 HG13 ILE 67 2HG1 ILE 67 1.009 0.286 2.987 512 HG21 ILE 67 1HG2 ILE 67 -0.253 -2.941 1.824 513 HG22 ILE 67 2HG2 ILE 67 -0.086 -3.800 3.354 514 HG23 ILE 67 3HG2 ILE 67 -1.363 -2.601 3.151 515 HD11 ILE 67 1HD1 ILE 67 0.899 -1.636 0.677 516 HD12 ILE 67 2HD1 ILE 67 1.157 0.104 0.543 517 HD13 ILE 67 3HD1 ILE 67 2.344 -0.902 1.373 518 H THR 68 H THR 68 -1.682 -2.543 6.034 519 HA THR 68 HA THR 68 0.078 -4.376 7.502 520 HB THR 68 HB THR 68 -2.870 -3.917 7.975 521 HG1 THR 68 1HG THR 68 -1.749 -1.968 8.323 522 HG21 THR 68 1HG2 THR 68 -2.185 -4.745 10.280 523 HG22 THR 68 2HG2 THR 68 -0.666 -5.248 9.537 524 HG23 THR 68 3HG2 THR 68 -2.190 -5.943 8.987 525 H GLY 69 H GLY 69 -0.464 -6.625 7.663 526 HA2 GLY 69 1HA GLY 69 -2.223 -8.281 6.795 527 HA3 GLY 69 2HA GLY 69 -1.802 -7.605 5.229 528 H TYR 70 H TYR 70 -1.509 -10.176 5.270 529 HA TYR 70 HA TYR 70 0.727 -11.368 6.370 530 HB2 TYR 70 1HB TYR 70 -0.525 -11.898 3.668 531 HB3 TYR 70 2HB TYR 70 0.603 -12.974 4.485 532 HD1 TYR 70 2HD TYR 70 -0.230 -13.247 7.147 533 HD2 TYR 70 1HD TYR 70 -2.681 -12.696 3.712 534 HE1 TYR 70 2HE TYR 70 -2.103 -14.327 8.318 535 HE2 TYR 70 1HE TYR 70 -4.561 -13.774 4.873 536 HH TYR 70 HH TYR 70 -4.749 -14.189 8.078 537 H GLU 71 H GLU 71 2.845 -11.125 6.112 538 HA GLU 71 HA GLU 71 4.170 -9.160 4.886 539 HB2 GLU 71 1HB GLU 71 5.407 -10.684 6.224 540 HB3 GLU 71 2HB GLU 71 5.014 -12.038 5.174 541 HG2 GLU 71 1HG GLU 71 6.358 -10.975 3.384 542 HG3 GLU 71 2HG GLU 71 6.830 -9.726 4.534 543 H LYS 72 H LYS 72 2.912 -12.013 3.283 544 HA LYS 72 HA LYS 72 4.161 -11.410 0.759 545 HB2 LYS 72 1HB LYS 72 1.920 -13.341 1.384 546 HB3 LYS 72 2HB LYS 72 2.862 -13.292 -0.100 547 HG2 LYS 72 1HG LYS 72 4.323 -13.626 2.461 548 HG3 LYS 72 2HG LYS 72 3.398 -14.996 1.842 549 HD2 LYS 72 1HD LYS 72 5.376 -15.400 0.787 550 HD3 LYS 72 2HD LYS 72 4.647 -14.323 -0.407 551 HE2 LYS 72 1HE LYS 72 6.675 -13.309 -0.191 552 HE3 LYS 72 2HE LYS 72 5.809 -12.479 1.101 553 HZ1 LYS 72 1HZ LYS 72 6.731 -14.090 2.674 554 HZ2 LYS 72 2HZ LYS 72 7.950 -13.232 1.874 555 HZ3 LYS 72 3HZ LYS 72 7.602 -14.825 1.423 556 H ASN 73 H ASN 73 0.714 -11.741 1.617 557 HA ASN 73 HA ASN 73 -0.446 -10.590 -0.542 558 HB2 ASN 73 1HB ASN 73 -1.213 -10.353 2.368 559 HB3 ASN 73 2HB ASN 73 -2.232 -9.739 1.069 560 HD21 ASN 73 1HD2 ASN 73 -3.873 -11.178 1.655 561 HD22 ASN 73 2HD2 ASN 73 -3.785 -12.859 1.265 562 H THR 74 H THR 74 1.179 -8.920 2.084 563 HA THR 74 HA THR 74 0.366 -6.302 1.521 564 HB THR 74 HB THR 74 2.468 -5.596 2.668 565 HG1 THR 74 1HG THR 74 3.420 -7.764 3.649 566 HG21 THR 74 1HG2 THR 74 1.560 -6.027 4.691 567 HG22 THR 74 2HG2 THR 74 1.496 -7.767 4.406 568 HG23 THR 74 3HG2 THR 74 0.246 -6.717 3.740 569 H GLU 75 H GLU 75 3.454 -7.856 0.617 570 HA GLU 75 HA GLU 75 4.513 -5.908 -0.974 571 HB2 GLU 75 1HB GLU 75 4.591 -8.874 -1.556 572 HB3 GLU 75 2HB GLU 75 5.717 -7.672 -2.171 573 HG2 GLU 75 1HG GLU 75 6.032 -7.201 0.421 574 HG3 GLU 75 2HG GLU 75 5.511 -8.883 0.522 575 H ALA 76 H ALA 76 2.263 -8.456 -2.019 576 HA ALA 76 HA ALA 76 2.088 -7.836 -4.705 577 HB1 ALA 76 1HB ALA 76 1.047 -9.814 -3.931 578 HB2 ALA 76 2HB ALA 76 0.013 -8.919 -2.816 579 HB3 ALA 76 3HB ALA 76 -0.245 -8.787 -4.556 580 H ALA 77 H ALA 77 0.700 -6.184 -1.966 581 HA ALA 77 HA ALA 77 -1.003 -4.519 -3.629 582 HB1 ALA 77 1HB ALA 77 -1.067 -5.334 -0.957 583 HB2 ALA 77 2HB ALA 77 -0.764 -3.596 -0.915 584 HB3 ALA 77 3HB ALA 77 -2.176 -4.225 -1.766 585 H ARG 78 H ARG 78 1.776 -4.058 -1.448 586 HA ARG 78 HA ARG 78 2.134 -1.328 -1.860 587 HB2 ARG 78 1HB ARG 78 4.143 -1.553 -0.748 588 HB3 ARG 78 2HB ARG 78 3.302 -3.005 -0.221 589 HG2 ARG 78 1HG ARG 78 5.302 -3.920 -0.770 590 HG3 ARG 78 2HG ARG 78 4.505 -4.032 -2.341 591 HD2 ARG 78 1HD ARG 78 5.536 -1.605 -2.615 592 HD3 ARG 78 2HD ARG 78 6.684 -2.227 -1.430 593 HE ARG 78 HE ARG 78 6.225 -3.931 -3.724 594 HH11 ARG 78 1HH1 ARG 78 8.162 -1.412 -2.301 595 HH12 ARG 78 2HH1 ARG 78 9.533 -1.711 -3.318 596 HH21 ARG 78 1HH2 ARG 78 8.023 -4.334 -5.069 597 HH22 ARG 78 2HH2 ARG 78 9.452 -3.373 -4.893 598 H ASP 79 H ASP 79 2.766 -3.982 -3.948 599 HA ASP 79 HA ASP 79 4.782 -2.826 -5.563 600 HB2 ASP 79 1HB ASP 79 4.542 -5.149 -5.793 601 HB3 ASP 79 2HB ASP 79 2.793 -5.042 -5.978 602 H ALA 80 H ALA 80 1.247 -2.955 -5.888 603 HA ALA 80 HA ALA 80 1.016 -1.647 -8.335 604 HB1 ALA 80 1HB ALA 80 -0.765 -2.805 -6.809 605 HB2 ALA 80 2HB ALA 80 -1.012 -1.166 -6.203 606 HB3 ALA 80 3HB ALA 80 -1.240 -1.518 -7.916 607 H ILE 81 H ILE 81 0.560 -0.189 -5.107 608 HA ILE 81 HA ILE 81 0.224 2.403 -5.630 609 HB ILE 81 HB ILE 81 2.229 1.365 -3.624 610 HG12 ILE 81 1HG1 ILE 81 -0.688 2.078 -3.261 611 HG13 ILE 81 2HG1 ILE 81 -0.080 0.435 -3.434 612 HG21 ILE 81 1HG2 ILE 81 0.757 3.859 -3.103 613 HG22 ILE 81 2HG2 ILE 81 2.430 3.431 -2.748 614 HG23 ILE 81 3HG2 ILE 81 1.977 3.943 -4.373 615 HD11 ILE 81 1HD1 ILE 81 0.085 2.292 -1.139 616 HD12 ILE 81 2HD1 ILE 81 -0.184 0.549 -1.177 617 HD13 ILE 81 3HD1 ILE 81 1.441 1.197 -1.402 618 H LEU 82 H LEU 82 3.285 0.694 -6.004 619 HA LEU 82 HA LEU 82 4.734 3.070 -6.739 620 HB2 LEU 82 1HB LEU 82 5.548 0.194 -7.105 621 HB3 LEU 82 2HB LEU 82 6.602 1.606 -7.113 622 HG LEU 82 HG LEU 82 5.082 0.596 -4.710 623 HD11 LEU 82 1HD1 LEU 82 6.811 -0.977 -5.369 624 HD12 LEU 82 2HD1 LEU 82 7.274 -0.130 -3.893 625 HD13 LEU 82 3HD1 LEU 82 7.996 0.328 -5.435 626 HD21 LEU 82 1HD2 LEU 82 7.140 2.182 -3.844 627 HD22 LEU 82 2HD2 LEU 82 5.452 2.677 -3.983 628 HD23 LEU 82 3HD2 LEU 82 6.585 3.030 -5.288 629 H ARG 83 H ARG 83 3.789 0.101 -8.477 630 HA ARG 83 HA ARG 83 4.627 0.584 -10.986 631 HB2 ARG 83 1HB ARG 83 3.137 -1.318 -10.114 632 HB3 ARG 83 2HB ARG 83 1.780 -0.279 -10.524 633 HG2 ARG 83 1HG ARG 83 2.902 -0.159 -12.857 634 HG3 ARG 83 2HG ARG 83 3.752 -1.611 -12.325 635 HD2 ARG 83 1HD ARG 83 1.682 -2.770 -11.983 636 HD3 ARG 83 2HD ARG 83 0.755 -1.299 -12.275 637 HE ARG 83 HE ARG 83 2.370 -1.940 -14.517 638 HH11 ARG 83 1HH1 ARG 83 -0.548 -2.869 -12.861 639 HH12 ARG 83 2HH1 ARG 83 -1.311 -3.497 -14.285 640 HH21 ARG 83 1HH2 ARG 83 1.376 -2.763 -16.398 641 HH22 ARG 83 2HH2 ARG 83 -0.215 -3.437 -16.296 642 H ILE 84 H ILE 84 1.704 1.994 -9.547 643 HA ILE 84 HA ILE 84 0.846 3.421 -11.803 644 HB ILE 84 HB ILE 84 0.458 4.178 -8.905 645 HG12 ILE 84 1HG1 ILE 84 -1.599 2.752 -10.538 646 HG13 ILE 84 2HG1 ILE 84 -0.269 1.820 -9.860 647 HG21 ILE 84 1HG2 ILE 84 -0.883 5.832 -9.573 648 HG22 ILE 84 2HG2 ILE 84 -0.147 5.634 -11.162 649 HG23 ILE 84 3HG2 ILE 84 -1.664 4.819 -10.785 650 HD11 ILE 84 1HD1 ILE 84 -2.654 2.644 -8.606 651 HD12 ILE 84 2HD1 ILE 84 -1.307 1.739 -7.914 652 HD13 ILE 84 3HD1 ILE 84 -1.325 3.501 -7.826 653 H VAL 85 H VAL 85 2.529 4.714 -8.931 654 HA VAL 85 HA VAL 85 3.016 7.254 -9.558 655 HB VAL 85 HB VAL 85 5.094 5.312 -8.545 656 HG11 VAL 85 1HG1 VAL 85 5.540 7.969 -7.633 657 HG12 VAL 85 2HG1 VAL 85 6.603 6.938 -8.594 658 HG13 VAL 85 3HG1 VAL 85 5.437 7.993 -9.394 659 HG21 VAL 85 1HG2 VAL 85 3.584 7.322 -6.917 660 HG22 VAL 85 2HG2 VAL 85 2.877 5.750 -7.289 661 HG23 VAL 85 3HG2 VAL 85 4.392 5.844 -6.393 662 H GLY 86 H GLY 86 5.297 4.722 -10.635 663 HA2 GLY 86 1HA GLY 86 6.959 6.101 -12.243 664 HA3 GLY 86 2HA GLY 86 6.375 4.500 -12.675 665 H GLU 87 H GLU 87 3.786 4.889 -13.320 666 HA GLU 87 HA GLU 87 3.946 5.982 -15.913 667 HB2 GLU 87 1HB GLU 87 1.287 5.677 -14.605 668 HB3 GLU 87 2HB GLU 87 1.806 5.206 -16.218 669 HG2 GLU 87 1HG GLU 87 2.269 3.779 -13.623 670 HG3 GLU 87 2HG GLU 87 1.418 3.206 -15.056 671 H LEU 88 H LEU 88 2.027 7.106 -13.119 672 HA LEU 88 HA LEU 88 0.927 9.378 -13.992 673 HB2 LEU 88 1HB LEU 88 2.502 9.345 -11.429 674 HB3 LEU 88 2HB LEU 88 1.060 10.291 -11.797 675 HG LEU 88 HG LEU 88 1.168 7.297 -11.435 676 HD11 LEU 88 1HD1 LEU 88 0.955 7.697 -9.267 677 HD12 LEU 88 2HD1 LEU 88 -0.541 8.572 -9.588 678 HD13 LEU 88 3HD1 LEU 88 0.996 9.436 -9.558 679 HD21 LEU 88 1HD2 LEU 88 -1.275 9.029 -11.693 680 HD22 LEU 88 2HD2 LEU 88 -1.170 7.269 -11.735 681 HD23 LEU 88 3HD2 LEU 88 -0.532 8.224 -13.075 682 H GLU 89 H GLU 89 4.350 9.023 -13.173 683 HA GLU 89 HA GLU 89 5.123 11.691 -13.469 684 HB2 GLU 89 1HB GLU 89 6.511 9.064 -13.594 685 HB3 GLU 89 2HB GLU 89 7.362 10.457 -14.247 686 HG2 GLU 89 1HG GLU 89 7.287 11.584 -12.154 687 HG3 GLU 89 2HG GLU 89 6.195 10.377 -11.479 688 H GLN 90 H GLN 90 5.366 9.055 -15.862 689 HA GLN 90 HA GLN 90 6.345 10.351 -18.022 690 HB2 GLN 90 1HB GLN 90 5.345 7.921 -17.713 691 HB3 GLN 90 2HB GLN 90 3.942 8.643 -18.490 692 HG2 GLN 90 1HG GLN 90 5.100 9.061 -20.467 693 HG3 GLN 90 2HG GLN 90 6.673 8.886 -19.690 694 HE21 GLN 90 1HE2 GLN 90 3.825 7.156 -20.785 695 HE22 GLN 90 2HE2 GLN 90 4.595 5.620 -20.962 696 H MET 91 H MET 91 2.831 10.086 -17.440 697 HA MET 91 HA MET 91 1.925 11.772 -19.391 698 HB2 MET 91 1HB MET 91 0.919 11.036 -16.688 699 HB3 MET 91 2HB MET 91 0.136 12.379 -17.512 700 HG2 MET 91 1HG MET 91 0.460 9.604 -18.631 701 HG3 MET 91 2HG MET 91 -1.003 10.242 -17.884 702 HE1 MET 91 1HE MET 91 1.459 10.487 -20.938 703 HE2 MET 91 2HE MET 91 0.259 9.199 -21.039 704 HE3 MET 91 3HE MET 91 0.209 10.541 -22.182 705 H SER 92 H SER 92 2.827 12.718 -16.077 706 HA SER 92 HA SER 92 2.349 15.445 -16.303 707 HB2 SER 92 1HB SER 92 4.167 13.792 -14.592 708 HB3 SER 92 2HB SER 92 4.316 15.548 -14.553 709 HG SER 92 HG SER 92 1.929 15.471 -14.203 710 H GLY 93 H GLY 93 3.789 17.233 -16.611 711 HA2 GLY 93 1HA GLY 93 6.307 16.675 -17.987 712 HA3 GLY 93 2HA GLY 93 5.076 17.541 -18.893 713 HA PRO 94 HA PRO 94 6.347 20.443 -15.232 714 HB2 PRO 94 1HB PRO 94 8.514 19.683 -13.786 715 HB3 PRO 94 2HB PRO 94 6.864 19.221 -13.357 716 HG2 PRO 94 1HG PRO 94 8.958 17.643 -14.801 717 HG3 PRO 94 2HG PRO 94 7.842 17.118 -13.527 718 HD2 PRO 94 1HD PRO 94 7.411 16.592 -16.149 719 HD3 PRO 94 2HD PRO 94 6.086 16.858 -14.997 720 H SER 95 H SER 95 8.384 21.826 -14.772 721 HA SER 95 HA SER 95 9.664 22.296 -17.301 722 HB2 SER 95 1HB SER 95 8.919 24.147 -15.819 723 HB3 SER 95 2HB SER 95 10.136 23.661 -14.639 724 HG SER 95 HG SER 95 10.790 24.311 -17.313 725 H SER 96 H SER 96 11.755 21.951 -17.876 726 HA SER 96 HA SER 96 13.361 20.336 -16.016 727 HB2 SER 96 1HB SER 96 13.627 20.559 -19.023 728 HB3 SER 96 2HB SER 96 14.496 19.440 -17.973 729 HG SER 96 HG SER 96 12.264 18.721 -17.369 730 H GLY 97 H GLY 97 15.744 20.606 -16.187 731 HA2 GLY 97 1HA GLY 97 17.493 22.180 -17.082 732 HA3 GLY 97 2HA GLY 97 16.403 23.461 -16.570 Start of MODEL 14 1 H1 GLY 1 H GLY 1 8.043 -47.146 15.600 2 HA2 GLY 1 1HA GLY 1 9.582 -45.845 16.739 3 HA3 GLY 1 2HA GLY 1 10.860 -46.883 16.125 4 H SER 2 H SER 2 9.868 -43.811 16.145 5 HA SER 2 HA SER 2 11.518 -43.064 13.944 6 HB2 SER 2 1HB SER 2 8.537 -42.982 13.629 7 HB3 SER 2 2HB SER 2 9.532 -41.754 12.848 8 HG SER 2 HG SER 2 10.705 -43.507 11.874 9 H SER 3 H SER 3 11.802 -40.757 13.780 10 HA SER 3 HA SER 3 10.641 -39.175 15.953 11 HB2 SER 3 1HB SER 3 12.949 -40.210 16.550 12 HB3 SER 3 2HB SER 3 13.598 -39.013 15.430 13 HG SER 3 HG SER 3 13.373 -38.440 17.771 14 H GLY 4 H GLY 4 11.429 -36.802 15.718 15 HA2 GLY 4 1HA GLY 4 12.055 -35.018 14.270 16 HA3 GLY 4 2HA GLY 4 11.796 -36.083 12.895 17 H SER 5 H SER 5 10.175 -34.201 15.396 18 HA SER 5 HA SER 5 7.922 -33.837 13.558 19 HB2 SER 5 1HB SER 5 7.764 -34.787 16.413 20 HB3 SER 5 2HB SER 5 6.409 -33.960 15.643 21 HG SER 5 HG SER 5 6.199 -35.607 14.220 22 H SER 6 H SER 6 7.038 -31.822 13.568 23 HA SER 6 HA SER 6 7.708 -29.944 15.685 24 HB2 SER 6 1HB SER 6 9.544 -29.916 13.874 25 HB3 SER 6 2HB SER 6 8.329 -29.163 12.842 26 HG SER 6 HG SER 6 8.772 -27.366 13.812 27 H GLY 7 H GLY 7 6.206 -28.352 15.946 28 HA2 GLY 7 1HA GLY 7 4.205 -27.938 13.850 29 HA3 GLY 7 2HA GLY 7 3.637 -28.522 15.408 30 H GLU 8 H GLU 8 6.089 -26.095 14.528 31 HA GLU 8 HA GLU 8 5.011 -24.287 16.515 32 HB2 GLU 8 1HB GLU 8 7.409 -24.224 14.702 33 HB3 GLU 8 2HB GLU 8 6.913 -22.797 15.602 34 HG2 GLU 8 1HG GLU 8 7.372 -23.781 17.658 35 HG3 GLU 8 2HG GLU 8 7.362 -25.410 16.988 36 H GLN 9 H GLN 9 3.987 -22.364 16.144 37 HA GLN 9 HA GLN 9 3.317 -21.738 13.345 38 HB2 GLN 9 1HB GLN 9 1.536 -21.744 15.775 39 HB3 GLN 9 2HB GLN 9 1.117 -20.872 14.306 40 HG2 GLN 9 1HG GLN 9 0.705 -22.772 13.125 41 HG3 GLN 9 2HG GLN 9 1.853 -23.733 14.057 42 HE21 GLN 9 1HE2 GLN 9 -0.084 -25.203 13.864 43 HE22 GLN 9 2HE2 GLN 9 -1.247 -25.125 15.139 44 H GLU 10 H GLU 10 3.655 -19.697 12.712 45 HA GLU 10 HA GLU 10 4.114 -17.657 14.785 46 HB2 GLU 10 1HB GLU 10 5.848 -16.678 13.269 47 HB3 GLU 10 2HB GLU 10 6.276 -18.245 13.941 48 HG2 GLU 10 1HG GLU 10 5.564 -19.302 11.824 49 HG3 GLU 10 2HG GLU 10 5.267 -17.697 11.160 50 H ASP 11 H ASP 11 1.661 -18.112 13.487 51 HA ASP 11 HA ASP 11 1.346 -16.310 11.285 52 HB2 ASP 11 1HB ASP 11 -0.190 -18.117 11.374 53 HB3 ASP 11 2HB ASP 11 -0.604 -17.781 13.053 54 H ARG 12 H ARG 12 0.508 -16.202 14.735 55 HA ARG 12 HA ARG 12 -0.848 -13.877 14.970 56 HB2 ARG 12 1HB ARG 12 0.254 -13.558 17.175 57 HB3 ARG 12 2HB ARG 12 -0.308 -15.203 16.911 58 HG2 ARG 12 1HG ARG 12 1.914 -15.963 16.465 59 HG3 ARG 12 2HG ARG 12 2.533 -14.310 16.487 60 HD2 ARG 12 1HD ARG 12 1.262 -15.713 18.835 61 HD3 ARG 12 2HD ARG 12 2.998 -15.558 18.574 62 HE ARG 12 HE ARG 12 1.983 -12.996 18.490 63 HH11 ARG 12 1HH1 ARG 12 2.106 -15.605 20.790 64 HH12 ARG 12 2HH1 ARG 12 2.111 -14.561 22.172 65 HH21 ARG 12 1HH2 ARG 12 1.988 -11.610 20.301 66 HH22 ARG 12 2HH2 ARG 12 2.043 -12.288 21.893 67 H ALA 13 H ALA 13 2.587 -14.209 14.312 68 HA ALA 13 HA ALA 13 3.030 -11.344 14.451 69 HB1 ALA 13 1HB ALA 13 5.313 -12.375 13.376 70 HB2 ALA 13 2HB ALA 13 4.998 -12.194 15.102 71 HB3 ALA 13 3HB ALA 13 4.704 -13.742 14.309 72 H LEU 14 H LEU 14 2.815 -13.877 11.999 73 HA LEU 14 HA LEU 14 3.628 -12.454 9.763 74 HB2 LEU 14 1HB LEU 14 1.635 -14.665 10.133 75 HB3 LEU 14 2HB LEU 14 1.963 -13.982 8.542 76 HG LEU 14 HG LEU 14 4.057 -15.248 10.304 77 HD11 LEU 14 1HD1 LEU 14 3.721 -16.895 8.152 78 HD12 LEU 14 2HD1 LEU 14 2.063 -16.424 8.521 79 HD13 LEU 14 3HD1 LEU 14 3.064 -17.176 9.764 80 HD21 LEU 14 1HD2 LEU 14 5.010 -13.686 8.755 81 HD22 LEU 14 2HD2 LEU 14 4.049 -14.340 7.429 82 HD23 LEU 14 3HD2 LEU 14 5.322 -15.318 8.162 83 H ARG 15 H ARG 15 0.345 -12.759 11.102 84 HA ARG 15 HA ARG 15 -0.852 -11.022 9.204 85 HB2 ARG 15 1HB ARG 15 -2.813 -11.115 10.599 86 HB3 ARG 15 2HB ARG 15 -2.092 -12.718 10.540 87 HG2 ARG 15 1HG ARG 15 -1.112 -12.386 12.733 88 HG3 ARG 15 2HG ARG 15 -1.758 -10.746 12.790 89 HD2 ARG 15 1HD ARG 15 -3.648 -12.987 12.299 90 HD3 ARG 15 2HD ARG 15 -3.008 -12.783 13.929 91 HE ARG 15 HE ARG 15 -5.014 -11.221 12.711 92 HH11 ARG 15 1HH1 ARG 15 -2.209 -10.926 14.752 93 HH12 ARG 15 2HH1 ARG 15 -2.780 -9.497 15.551 94 HH21 ARG 15 1HH2 ARG 15 -5.776 -9.341 13.755 95 HH22 ARG 15 2HH2 ARG 15 -4.809 -8.597 14.983 96 H SER 16 H SER 16 1.178 -10.432 11.823 97 HA SER 16 HA SER 16 0.143 -7.720 12.238 98 HB2 SER 16 1HB SER 16 0.777 -9.375 14.157 99 HB3 SER 16 2HB SER 16 2.432 -8.893 13.787 100 HG SER 16 HG SER 16 0.357 -7.427 14.918 101 H PHE 17 H PHE 17 1.775 -8.821 9.907 102 HA PHE 17 HA PHE 17 4.316 -7.515 10.061 103 HB2 PHE 17 1HB PHE 17 4.351 -9.294 8.572 104 HB3 PHE 17 2HB PHE 17 2.766 -8.906 7.911 105 HD1 PHE 17 2HD PHE 17 2.546 -6.908 6.396 106 HD2 PHE 17 1HD PHE 17 6.311 -8.519 7.556 107 HE1 PHE 17 2HE PHE 17 3.616 -5.760 4.503 108 HE2 PHE 17 1HE PHE 17 7.388 -7.372 5.665 109 HZ PHE 17 HZ PHE 17 6.041 -5.991 4.134 110 H LYS 18 H LYS 18 4.780 -5.450 9.699 111 HA LYS 18 HA LYS 18 2.746 -3.775 8.381 112 HB2 LYS 18 1HB LYS 18 3.121 -3.235 10.762 113 HB3 LYS 18 2HB LYS 18 4.824 -2.954 10.419 114 HG2 LYS 18 1HG LYS 18 4.390 -1.004 9.229 115 HG3 LYS 18 2HG LYS 18 2.692 -1.419 8.983 116 HD2 LYS 18 1HD LYS 18 3.871 -0.865 11.698 117 HD3 LYS 18 2HD LYS 18 3.156 0.391 10.685 118 HE2 LYS 18 1HE LYS 18 1.107 -1.174 10.586 119 HE3 LYS 18 2HE LYS 18 1.839 -1.972 11.978 120 HZ1 LYS 18 1HZ LYS 18 0.686 -0.443 13.118 121 HZ2 LYS 18 2HZ LYS 18 0.536 0.607 11.800 122 HZ3 LYS 18 3HZ LYS 18 1.959 0.595 12.715 123 H LEU 19 H LEU 19 3.284 -2.939 6.480 124 HA LEU 19 HA LEU 19 6.138 -2.803 5.767 125 HB2 LEU 19 1HB LEU 19 4.983 -4.306 4.328 126 HB3 LEU 19 2HB LEU 19 3.674 -3.154 4.078 127 HG LEU 19 HG LEU 19 5.445 -1.680 2.950 128 HD11 LEU 19 1HD1 LEU 19 7.221 -3.445 3.881 129 HD12 LEU 19 2HD1 LEU 19 7.482 -2.502 2.414 130 HD13 LEU 19 3HD1 LEU 19 6.908 -4.164 2.301 131 HD21 LEU 19 1HD2 LEU 19 4.744 -4.280 1.596 132 HD22 LEU 19 2HD2 LEU 19 5.061 -2.722 0.832 133 HD23 LEU 19 3HD2 LEU 19 3.614 -2.944 1.817 134 H SER 20 H SER 20 6.872 -1.003 4.518 135 HA SER 20 HA SER 20 5.140 1.370 4.623 136 HB2 SER 20 1HB SER 20 7.821 0.985 5.858 137 HB3 SER 20 2HB SER 20 7.489 2.548 5.112 138 HG SER 20 HG SER 20 6.225 1.311 7.297 139 H VAL 21 H VAL 21 4.878 2.075 2.619 140 HA VAL 21 HA VAL 21 6.911 1.531 0.599 141 HB VAL 21 HB VAL 21 4.323 2.938 0.040 142 HG11 VAL 21 1HG1 VAL 21 5.512 2.874 -1.910 143 HG12 VAL 21 2HG1 VAL 21 6.347 1.379 -1.483 144 HG13 VAL 21 3HG1 VAL 21 4.668 1.330 -2.024 145 HG21 VAL 21 1HG2 VAL 21 3.275 0.723 -0.317 146 HG22 VAL 21 2HG2 VAL 21 4.689 -0.032 0.417 147 HG23 VAL 21 3HG2 VAL 21 3.666 1.038 1.373 148 H THR 22 H THR 22 8.145 3.048 -0.366 149 HA THR 22 HA THR 22 8.042 5.750 0.749 150 HB THR 22 HB THR 22 10.180 4.705 -1.097 151 HG1 THR 22 1HG THR 22 9.685 3.445 0.995 152 HG21 THR 22 1HG2 THR 22 11.393 6.322 0.697 153 HG22 THR 22 2HG2 THR 22 9.787 7.053 0.649 154 HG23 THR 22 3HG2 THR 22 10.726 6.886 -0.835 155 H VAL 23 H VAL 23 6.637 7.005 -0.333 156 HA VAL 23 HA VAL 23 7.163 7.523 -3.142 157 HB VAL 23 HB VAL 23 4.490 6.529 -2.162 158 HG11 VAL 23 1HG1 VAL 23 3.836 7.015 -4.613 159 HG12 VAL 23 2HG1 VAL 23 3.842 8.347 -3.455 160 HG13 VAL 23 3HG1 VAL 23 5.185 8.150 -4.582 161 HG21 VAL 23 1HG2 VAL 23 5.796 4.704 -2.830 162 HG22 VAL 23 2HG2 VAL 23 4.805 5.068 -4.243 163 HG23 VAL 23 3HG2 VAL 23 6.491 5.584 -4.191 164 H ASP 24 H ASP 24 7.032 9.635 -3.546 165 HA ASP 24 HA ASP 24 6.741 11.598 -1.694 166 HB2 ASP 24 1HB ASP 24 6.226 11.581 -4.650 167 HB3 ASP 24 2HB ASP 24 5.940 13.045 -3.713 168 HA PRO 25 HA PRO 25 2.511 11.768 -0.494 169 HB2 PRO 25 1HB PRO 25 2.408 14.338 0.372 170 HB3 PRO 25 2HB PRO 25 3.220 13.053 1.274 171 HG2 PRO 25 1HG PRO 25 4.392 15.131 -0.537 172 HG3 PRO 25 2HG PRO 25 4.979 14.555 1.035 173 HD2 PRO 25 1HD PRO 25 6.029 13.705 -1.312 174 HD3 PRO 25 2HD PRO 25 5.943 12.669 0.127 175 H LYS 26 H LYS 26 3.737 13.290 -3.175 176 HA LYS 26 HA LYS 26 1.527 15.005 -3.811 177 HB2 LYS 26 1HB LYS 26 2.610 15.297 -5.958 178 HB3 LYS 26 2HB LYS 26 3.813 15.398 -4.678 179 HG2 LYS 26 1HG LYS 26 4.203 12.893 -5.163 180 HG3 LYS 26 2HG LYS 26 3.370 13.225 -6.683 181 HD2 LYS 26 1HD LYS 26 5.720 14.845 -5.724 182 HD3 LYS 26 2HD LYS 26 5.898 13.401 -6.725 183 HE2 LYS 26 1HE LYS 26 4.676 14.394 -8.510 184 HE3 LYS 26 2HE LYS 26 4.174 15.747 -7.496 185 HZ1 LYS 26 1HZ LYS 26 6.028 16.836 -7.978 186 HZ2 LYS 26 2HZ LYS 26 6.366 15.659 -9.145 187 HZ3 LYS 26 3HZ LYS 26 7.008 15.513 -7.587 188 H TYR 27 H TYR 27 2.545 11.744 -4.712 189 HA TYR 27 HA TYR 27 0.265 11.393 -6.464 190 HB2 TYR 27 1HB TYR 27 2.291 9.337 -5.564 191 HB3 TYR 27 2HB TYR 27 1.179 9.198 -6.921 192 HD1 TYR 27 2HD TYR 27 1.468 11.832 -8.203 193 HD2 TYR 27 1HD TYR 27 4.416 9.272 -6.514 194 HE1 TYR 27 2HE TYR 27 3.162 12.809 -9.695 195 HE2 TYR 27 1HE TYR 27 6.119 10.242 -7.999 196 HH TYR 27 HH TYR 27 5.286 12.371 -10.605 197 H HIS 28 H HIS 28 1.016 10.932 -3.167 198 HA HIS 28 HA HIS 28 -0.384 8.746 -2.344 199 HB2 HIS 28 1HB HIS 28 0.191 11.392 -1.144 200 HB3 HIS 28 2HB HIS 28 -1.091 10.457 -0.380 201 HD2 HIS 28 2HD HIS 28 1.949 8.469 -1.739 202 HE1 HIS 28 1HE HIS 28 2.265 8.643 2.489 203 HE2 HIS 28 2HE HIS 28 3.239 7.698 0.367 204 HA PRO 29 HA PRO 29 -4.542 11.197 -2.254 205 HB2 PRO 29 1HB PRO 29 -4.575 13.651 -3.416 206 HB3 PRO 29 2HB PRO 29 -4.176 13.400 -1.713 207 HG2 PRO 29 1HG PRO 29 -2.346 13.806 -4.046 208 HG3 PRO 29 2HG PRO 29 -2.256 14.506 -2.420 209 HD2 PRO 29 1HD PRO 29 -0.736 12.400 -3.186 210 HD3 PRO 29 2HD PRO 29 -1.311 12.607 -1.518 211 H LYS 30 H LYS 30 -2.446 10.808 -4.862 212 HA LYS 30 HA LYS 30 -4.527 11.099 -6.889 213 HB2 LYS 30 1HB LYS 30 -1.596 10.409 -7.159 214 HB3 LYS 30 2HB LYS 30 -2.708 10.652 -8.500 215 HG2 LYS 30 1HG LYS 30 -2.061 12.755 -6.447 216 HG3 LYS 30 2HG LYS 30 -1.245 12.600 -8.005 217 HD2 LYS 30 1HD LYS 30 -4.232 12.860 -7.790 218 HD3 LYS 30 2HD LYS 30 -3.173 14.271 -7.845 219 HE2 LYS 30 1HE LYS 30 -3.624 14.031 -10.072 220 HE3 LYS 30 2HE LYS 30 -2.187 13.018 -9.945 221 HZ1 LYS 30 1HZ LYS 30 -4.622 11.599 -9.401 222 HZ2 LYS 30 2HZ LYS 30 -3.350 11.201 -10.443 223 HZ3 LYS 30 3HZ LYS 30 -4.576 12.244 -10.965 224 H ILE 31 H ILE 31 -2.725 8.657 -5.177 225 HA ILE 31 HA ILE 31 -3.450 6.489 -6.898 226 HB ILE 31 HB ILE 31 -2.508 6.376 -4.032 227 HG12 ILE 31 1HG1 ILE 31 -0.743 5.872 -6.396 228 HG13 ILE 31 2HG1 ILE 31 -1.064 7.533 -5.909 229 HG21 ILE 31 1HG2 ILE 31 -3.151 4.348 -6.058 230 HG22 ILE 31 2HG2 ILE 31 -1.618 4.113 -5.219 231 HG23 ILE 31 3HG2 ILE 31 -3.118 4.228 -4.299 232 HD11 ILE 31 1HD1 ILE 31 1.013 6.258 -4.995 233 HD12 ILE 31 2HD1 ILE 31 0.079 7.315 -3.936 234 HD13 ILE 31 3HD1 ILE 31 -0.154 5.568 -3.867 235 H ILE 32 H ILE 32 -4.777 7.925 -3.980 236 HA ILE 32 HA ILE 32 -6.557 5.957 -3.190 237 HB ILE 32 HB ILE 32 -6.901 8.954 -3.087 238 HG12 ILE 32 1HG1 ILE 32 -6.197 7.117 -0.809 239 HG13 ILE 32 2HG1 ILE 32 -4.954 7.757 -1.878 240 HG21 ILE 32 1HG2 ILE 32 -9.062 7.819 -2.919 241 HG22 ILE 32 2HG2 ILE 32 -8.435 6.818 -1.611 242 HG23 ILE 32 3HG2 ILE 32 -8.602 8.559 -1.386 243 HD11 ILE 32 1HD1 ILE 32 -4.949 9.701 -0.819 244 HD12 ILE 32 2HD1 ILE 32 -6.703 9.847 -0.938 245 HD13 ILE 32 3HD1 ILE 32 -5.981 8.951 0.399 246 H GLY 33 H GLY 33 -7.312 8.754 -5.283 247 HA2 GLY 33 1HA GLY 33 -8.460 8.181 -7.423 248 HA3 GLY 33 2HA GLY 33 -9.482 7.127 -6.458 249 H ARG 34 H ARG 34 -10.608 9.022 -8.085 250 HA ARG 34 HA ARG 34 -11.100 11.538 -7.078 251 HB2 ARG 34 1HB ARG 34 -11.901 10.579 -9.274 252 HB3 ARG 34 2HB ARG 34 -13.199 9.801 -8.378 253 HG2 ARG 34 1HG ARG 34 -14.018 11.981 -7.656 254 HG3 ARG 34 2HG ARG 34 -12.710 12.768 -8.540 255 HD2 ARG 34 1HD ARG 34 -13.577 11.711 -10.624 256 HD3 ARG 34 2HD ARG 34 -14.951 11.117 -9.693 257 HE ARG 34 HE ARG 34 -14.880 13.828 -9.250 258 HH11 ARG 34 1HH1 ARG 34 -15.156 11.736 -12.020 259 HH12 ARG 34 2HH1 ARG 34 -16.099 12.862 -12.939 260 HH21 ARG 34 1HH2 ARG 34 -16.122 15.317 -10.451 261 HH22 ARG 34 2HH2 ARG 34 -16.647 14.899 -12.046 262 H LYS 35 H LYS 35 -12.947 8.569 -6.405 263 HA LYS 35 HA LYS 35 -14.174 9.931 -4.106 264 HB2 LYS 35 1HB LYS 35 -15.730 8.988 -5.777 265 HB3 LYS 35 2HB LYS 35 -15.035 7.395 -5.511 266 HG2 LYS 35 1HG LYS 35 -15.957 7.208 -3.385 267 HG3 LYS 35 2HG LYS 35 -16.223 8.948 -3.245 268 HD2 LYS 35 1HD LYS 35 -18.358 8.099 -3.635 269 HD3 LYS 35 2HD LYS 35 -17.835 8.643 -5.231 270 HE2 LYS 35 1HE LYS 35 -17.529 6.490 -6.009 271 HE3 LYS 35 2HE LYS 35 -17.319 5.825 -4.391 272 HZ1 LYS 35 1HZ LYS 35 -19.879 6.799 -5.539 273 HZ2 LYS 35 2HZ LYS 35 -19.678 6.161 -3.986 274 HZ3 LYS 35 3HZ LYS 35 -19.440 5.177 -5.341 275 H GLY 36 H GLY 36 -12.209 7.211 -5.072 276 HA2 GLY 36 1HA GLY 36 -10.573 6.504 -3.352 277 HA3 GLY 36 2HA GLY 36 -11.917 6.496 -2.218 278 H ALA 37 H ALA 37 -12.198 5.315 -5.499 279 HA ALA 37 HA ALA 37 -12.937 2.699 -4.475 280 HB1 ALA 37 1HB ALA 37 -14.225 2.541 -6.287 281 HB2 ALA 37 2HB ALA 37 -13.836 4.236 -6.582 282 HB3 ALA 37 3HB ALA 37 -12.899 2.965 -7.367 283 H VAL 38 H VAL 38 -10.602 4.033 -6.810 284 HA VAL 38 HA VAL 38 -9.312 1.834 -7.703 285 HB VAL 38 HB VAL 38 -7.971 4.368 -6.746 286 HG11 VAL 38 1HG1 VAL 38 -6.108 3.140 -7.076 287 HG12 VAL 38 2HG1 VAL 38 -6.943 1.945 -8.071 288 HG13 VAL 38 3HG1 VAL 38 -6.432 3.480 -8.776 289 HG21 VAL 38 1HG2 VAL 38 -9.126 5.287 -8.422 290 HG22 VAL 38 2HG2 VAL 38 -8.061 4.387 -9.503 291 HG23 VAL 38 3HG2 VAL 38 -9.627 3.716 -9.049 292 H ILE 39 H ILE 39 -8.293 3.546 -4.740 293 HA ILE 39 HA ILE 39 -6.448 1.636 -3.885 294 HB ILE 39 HB ILE 39 -6.609 3.924 -2.954 295 HG12 ILE 39 1HG1 ILE 39 -6.193 3.271 -0.577 296 HG13 ILE 39 2HG1 ILE 39 -6.775 1.655 -0.960 297 HG21 ILE 39 1HG2 ILE 39 -8.929 2.890 -1.337 298 HG22 ILE 39 2HG2 ILE 39 -8.268 4.525 -1.354 299 HG23 ILE 39 3HG2 ILE 39 -9.109 3.897 -2.773 300 HD11 ILE 39 1HD1 ILE 39 -4.179 2.457 -1.049 301 HD12 ILE 39 2HD1 ILE 39 -4.843 1.063 -1.902 302 HD13 ILE 39 3HD1 ILE 39 -4.664 2.605 -2.738 303 H THR 40 H THR 40 -9.890 1.989 -3.105 304 HA THR 40 HA THR 40 -10.156 0.011 -1.196 305 HB THR 40 HB THR 40 -12.127 0.792 -3.352 306 HG1 THR 40 1HG THR 40 -13.019 1.914 -1.405 307 HG21 THR 40 1HG2 THR 40 -13.672 -0.064 -1.334 308 HG22 THR 40 2HG2 THR 40 -12.290 -1.139 -1.113 309 HG23 THR 40 3HG2 THR 40 -13.150 -1.111 -2.652 310 H GLN 41 H GLN 41 -10.413 -0.324 -4.729 311 HA GLN 41 HA GLN 41 -10.987 -3.053 -4.806 312 HB2 GLN 41 1HB GLN 41 -11.130 -1.478 -6.737 313 HB3 GLN 41 2HB GLN 41 -9.374 -1.497 -6.833 314 HG2 GLN 41 1HG GLN 41 -9.961 -3.033 -8.435 315 HG3 GLN 41 2HG GLN 41 -9.659 -4.061 -7.035 316 HE21 GLN 41 1HE2 GLN 41 -10.974 -5.702 -7.791 317 HE22 GLN 41 2HE2 GLN 41 -12.696 -5.574 -7.823 318 H ILE 42 H ILE 42 -7.916 -1.357 -4.557 319 HA ILE 42 HA ILE 42 -6.279 -3.656 -4.943 320 HB ILE 42 HB ILE 42 -5.633 -1.022 -3.615 321 HG12 ILE 42 1HG1 ILE 42 -4.736 -1.895 -6.343 322 HG13 ILE 42 2HG1 ILE 42 -6.326 -1.173 -6.124 323 HG21 ILE 42 1HG2 ILE 42 -3.568 -1.746 -3.190 324 HG22 ILE 42 2HG2 ILE 42 -4.198 -3.371 -3.454 325 HG23 ILE 42 3HG2 ILE 42 -3.422 -2.501 -4.777 326 HD11 ILE 42 1HD1 ILE 42 -3.630 0.052 -5.802 327 HD12 ILE 42 2HD1 ILE 42 -5.041 0.645 -6.679 328 HD13 ILE 42 3HD1 ILE 42 -5.006 0.709 -4.917 329 H ARG 43 H ARG 43 -7.609 -2.022 -2.113 330 HA ARG 43 HA ARG 43 -6.188 -3.424 -0.141 331 HB2 ARG 43 1HB ARG 43 -8.876 -2.063 -0.129 332 HB3 ARG 43 2HB ARG 43 -8.214 -2.834 1.307 333 HG2 ARG 43 1HG ARG 43 -6.478 -1.297 1.484 334 HG3 ARG 43 2HG ARG 43 -6.646 -0.773 -0.193 335 HD2 ARG 43 1HD ARG 43 -8.774 0.281 0.331 336 HD3 ARG 43 2HD ARG 43 -8.665 -0.291 1.996 337 HE ARG 43 HE ARG 43 -6.381 1.231 1.377 338 HH11 ARG 43 1HH1 ARG 43 -9.797 1.598 1.938 339 HH12 ARG 43 2HH1 ARG 43 -9.657 3.219 2.534 340 HH21 ARG 43 1HH2 ARG 43 -6.184 3.364 2.159 341 HH22 ARG 43 2HH2 ARG 43 -7.602 4.223 2.659 342 H LEU 44 H LEU 44 -9.229 -4.145 -1.791 343 HA LEU 44 HA LEU 44 -9.717 -6.520 -0.245 344 HB2 LEU 44 1HB LEU 44 -10.986 -5.374 -2.719 345 HB3 LEU 44 2HB LEU 44 -11.493 -6.904 -2.006 346 HG LEU 44 HG LEU 44 -11.502 -4.374 -0.395 347 HD11 LEU 44 1HD1 LEU 44 -14.089 -4.649 -1.113 348 HD12 LEU 44 2HD1 LEU 44 -13.288 -5.123 -2.610 349 HD13 LEU 44 3HD1 LEU 44 -12.959 -3.545 -1.895 350 HD21 LEU 44 1HD2 LEU 44 -12.916 -7.027 -0.252 351 HD22 LEU 44 2HD2 LEU 44 -13.386 -5.629 0.716 352 HD23 LEU 44 3HD2 LEU 44 -11.781 -6.334 0.906 353 H GLU 45 H GLU 45 -8.593 -5.806 -3.532 354 HA GLU 45 HA GLU 45 -8.453 -8.251 -4.685 355 HB2 GLU 45 1HB GLU 45 -7.629 -6.034 -5.613 356 HB3 GLU 45 2HB GLU 45 -6.119 -6.343 -4.767 357 HG2 GLU 45 1HG GLU 45 -5.787 -8.373 -6.052 358 HG3 GLU 45 2HG GLU 45 -7.329 -8.125 -6.869 359 H HIS 46 H HIS 46 -5.805 -6.906 -2.706 360 HA HIS 46 HA HIS 46 -4.705 -9.590 -2.387 361 HB2 HIS 46 1HB HIS 46 -3.522 -7.069 -1.246 362 HB3 HIS 46 2HB HIS 46 -2.705 -8.570 -1.670 363 HD1 HIS 46 1HD HIS 46 -2.703 -9.069 -4.373 364 HD2 HIS 46 2HD HIS 46 -3.337 -5.150 -3.147 365 HE1 HIS 46 1HE HIS 46 -2.219 -7.647 -6.390 366 H ASP 47 H ASP 47 -7.026 -7.892 -0.902 367 HA ASP 47 HA ASP 47 -7.999 -7.906 1.156 368 HB2 ASP 47 1HB ASP 47 -6.415 -10.471 1.401 369 HB3 ASP 47 2HB ASP 47 -7.712 -9.981 2.488 370 H VAL 48 H VAL 48 -5.896 -6.202 1.055 371 HA VAL 48 HA VAL 48 -4.657 -6.531 3.710 372 HB VAL 48 HB VAL 48 -2.734 -5.178 2.843 373 HG11 VAL 48 1HG1 VAL 48 -3.048 -7.820 2.876 374 HG12 VAL 48 2HG1 VAL 48 -2.824 -7.602 1.139 375 HG13 VAL 48 3HG1 VAL 48 -1.583 -7.051 2.265 376 HG21 VAL 48 1HG2 VAL 48 -2.994 -4.156 0.882 377 HG22 VAL 48 2HG2 VAL 48 -2.822 -5.737 0.118 378 HG23 VAL 48 3HG2 VAL 48 -4.425 -5.112 0.500 379 H ASN 49 H ASN 49 -4.169 -4.538 4.833 380 HA ASN 49 HA ASN 49 -6.147 -2.463 4.227 381 HB2 ASN 49 1HB ASN 49 -6.129 -3.549 6.489 382 HB3 ASN 49 2HB ASN 49 -4.544 -2.832 6.764 383 HD21 ASN 49 1HD2 ASN 49 -4.386 -0.517 6.775 384 HD22 ASN 49 2HD2 ASN 49 -5.747 0.434 7.253 385 H ILE 50 H ILE 50 -5.483 -0.696 3.219 386 HA ILE 50 HA ILE 50 -2.680 0.149 3.553 387 HB ILE 50 HB ILE 50 -4.544 0.687 1.237 388 HG12 ILE 50 1HG1 ILE 50 -1.976 -0.846 1.063 389 HG13 ILE 50 2HG1 ILE 50 -3.429 -1.658 1.637 390 HG21 ILE 50 1HG2 ILE 50 -2.713 1.795 0.168 391 HG22 ILE 50 2HG2 ILE 50 -2.942 2.524 1.757 392 HG23 ILE 50 3HG2 ILE 50 -1.625 1.382 1.492 393 HD11 ILE 50 1HD1 ILE 50 -3.225 -0.211 -0.991 394 HD12 ILE 50 2HD1 ILE 50 -2.999 -1.948 -0.780 395 HD13 ILE 50 3HD1 ILE 50 -4.561 -1.212 -0.422 396 H GLN 51 H GLN 51 -2.314 2.018 4.545 397 HA GLN 51 HA GLN 51 -4.449 4.041 4.589 398 HB2 GLN 51 1HB GLN 51 -4.107 2.619 6.753 399 HB3 GLN 51 2HB GLN 51 -2.682 3.627 6.976 400 HG2 GLN 51 1HG GLN 51 -4.044 5.618 6.992 401 HG3 GLN 51 2HG GLN 51 -5.488 4.665 6.648 402 HE21 GLN 51 1HE2 GLN 51 -3.371 5.836 9.043 403 HE22 GLN 51 2HE2 GLN 51 -4.127 5.096 10.408 404 H PHE 52 H PHE 52 -3.810 6.084 4.204 405 HA PHE 52 HA PHE 52 -0.950 6.516 3.725 406 HB2 PHE 52 1HB PHE 52 -3.349 8.130 2.832 407 HB3 PHE 52 2HB PHE 52 -1.675 8.482 2.416 408 HD1 PHE 52 2HD PHE 52 -4.426 6.068 1.972 409 HD2 PHE 52 1HD PHE 52 -0.575 7.331 0.669 410 HE1 PHE 52 2HE PHE 52 -4.611 4.596 0.009 411 HE2 PHE 52 1HE PHE 52 -0.754 5.861 -1.296 412 HZ PHE 52 HZ PHE 52 -2.774 4.490 -1.627 413 HA PRO 53 HA PRO 53 -0.485 9.167 7.197 414 HB2 PRO 53 1HB PRO 53 1.468 10.818 6.288 415 HB3 PRO 53 2HB PRO 53 1.768 9.138 6.746 416 HG2 PRO 53 1HG PRO 53 1.371 10.316 4.023 417 HG3 PRO 53 2HG PRO 53 2.552 9.107 4.557 418 HD2 PRO 53 1HD PRO 53 0.284 8.443 3.238 419 HD3 PRO 53 2HD PRO 53 1.024 7.384 4.456 420 H ASP 54 H ASP 54 -0.801 11.328 7.945 421 HA ASP 54 HA ASP 54 -2.358 12.978 6.069 422 HB2 ASP 54 1HB ASP 54 -3.317 11.975 8.321 423 HB3 ASP 54 2HB ASP 54 -2.513 13.375 9.026 424 H LYS 55 H LYS 55 -1.648 14.945 5.551 425 HA LYS 55 HA LYS 55 0.907 15.844 6.347 426 HB2 LYS 55 1HB LYS 55 0.526 17.723 4.951 427 HB3 LYS 55 2HB LYS 55 -0.293 16.372 4.179 428 HG2 LYS 55 1HG LYS 55 -1.759 18.250 5.994 429 HG3 LYS 55 2HG LYS 55 -1.505 18.620 4.287 430 HD2 LYS 55 1HD LYS 55 -2.484 16.266 3.871 431 HD3 LYS 55 2HD LYS 55 -3.088 16.395 5.524 432 HE2 LYS 55 1HE LYS 55 -3.573 18.592 3.549 433 HE3 LYS 55 2HE LYS 55 -4.593 17.153 3.552 434 HZ1 LYS 55 1HZ LYS 55 -5.757 18.372 5.026 435 HZ2 LYS 55 2HZ LYS 55 -4.431 19.316 5.488 436 HZ3 LYS 55 3HZ LYS 55 -4.628 17.764 6.130 437 H ASP 56 H ASP 56 -2.141 16.119 7.819 438 HA ASP 56 HA ASP 56 -1.719 18.603 9.174 439 HB2 ASP 56 1HB ASP 56 -3.699 16.361 9.443 440 HB3 ASP 56 2HB ASP 56 -3.621 17.629 10.662 441 H ASP 57 H ASP 57 -1.146 15.215 9.911 442 HA ASP 57 HA ASP 57 -0.585 15.485 12.652 443 HB2 ASP 57 1HB ASP 57 -0.868 13.361 11.097 444 HB3 ASP 57 2HB ASP 57 0.889 13.468 11.014 445 H GLY 58 H GLY 58 1.748 15.114 9.969 446 HA2 GLY 58 1HA GLY 58 3.683 16.422 9.648 447 HA3 GLY 58 2HA GLY 58 3.508 17.041 11.284 448 H ASN 59 H ASN 59 4.008 15.545 13.062 449 HA ASN 59 HA ASN 59 6.512 14.559 13.064 450 HB2 ASN 59 1HB ASN 59 4.288 13.128 14.522 451 HB3 ASN 59 2HB ASN 59 5.973 13.282 15.011 452 HD21 ASN 59 1HD2 ASN 59 6.623 15.767 14.972 453 HD22 ASN 59 2HD2 ASN 59 5.567 16.766 15.906 454 H GLN 60 H GLN 60 3.744 13.053 11.617 455 HA GLN 60 HA GLN 60 5.169 10.543 11.188 456 HB2 GLN 60 1HB GLN 60 2.363 11.381 10.440 457 HB3 GLN 60 2HB GLN 60 3.041 9.780 10.177 458 HG2 GLN 60 1HG GLN 60 3.322 9.504 12.589 459 HG3 GLN 60 2HG GLN 60 2.630 11.106 12.848 460 HE21 GLN 60 1HE2 GLN 60 0.530 11.157 11.163 461 HE22 GLN 60 2HE2 GLN 60 -0.624 9.945 11.590 462 HA PRO 61 HA PRO 61 6.548 11.527 7.135 463 HB2 PRO 61 1HB PRO 61 6.581 9.049 6.026 464 HB3 PRO 61 2HB PRO 61 7.766 9.581 7.225 465 HG2 PRO 61 1HG PRO 61 5.311 7.908 7.600 466 HG3 PRO 61 2HG PRO 61 6.929 7.691 8.292 467 HD2 PRO 61 1HD PRO 61 4.884 8.786 9.687 468 HD3 PRO 61 2HD PRO 61 6.574 9.266 9.937 469 H GLN 62 H GLN 62 5.557 12.321 5.390 470 HA GLN 62 HA GLN 62 2.820 11.494 4.823 471 HB2 GLN 62 1HB GLN 62 4.403 13.732 3.554 472 HB3 GLN 62 2HB GLN 62 2.663 13.488 3.476 473 HG2 GLN 62 1HG GLN 62 4.291 14.241 5.890 474 HG3 GLN 62 2HG GLN 62 3.124 15.241 5.027 475 HE21 GLN 62 1HE2 GLN 62 3.468 13.858 7.820 476 HE22 GLN 62 2HE2 GLN 62 1.869 13.289 8.144 477 H ASP 63 H ASP 63 5.966 10.941 3.675 478 HA ASP 63 HA ASP 63 5.065 10.219 0.990 479 HB2 ASP 63 1HB ASP 63 7.282 10.272 0.321 480 HB3 ASP 63 2HB ASP 63 7.274 11.487 1.596 481 H GLN 64 H GLN 64 5.551 8.803 4.019 482 HA GLN 64 HA GLN 64 6.137 6.154 2.960 483 HB2 GLN 64 1HB GLN 64 5.815 7.206 5.770 484 HB3 GLN 64 2HB GLN 64 6.069 5.505 5.402 485 HG2 GLN 64 1HG GLN 64 7.984 7.495 4.305 486 HG3 GLN 64 2HG GLN 64 8.068 7.091 6.019 487 HE21 GLN 64 1HE2 GLN 64 8.126 5.721 2.778 488 HE22 GLN 64 2HE2 GLN 64 9.080 4.338 3.181 489 H ILE 65 H ILE 65 4.717 4.485 2.864 490 HA ILE 65 HA ILE 65 1.937 5.060 3.662 491 HB ILE 65 HB ILE 65 2.707 3.205 1.419 492 HG12 ILE 65 1HG1 ILE 65 1.897 6.112 1.187 493 HG13 ILE 65 2HG1 ILE 65 3.528 5.499 0.939 494 HG21 ILE 65 1HG2 ILE 65 0.259 4.074 0.816 495 HG22 ILE 65 2HG2 ILE 65 0.544 2.684 1.860 496 HG23 ILE 65 3HG2 ILE 65 0.192 4.260 2.568 497 HD11 ILE 65 1HD1 ILE 65 1.457 5.749 -0.942 498 HD12 ILE 65 2HD1 ILE 65 3.064 5.060 -1.173 499 HD13 ILE 65 3HD1 ILE 65 1.721 4.024 -0.696 500 H THR 66 H THR 66 1.316 3.854 5.316 501 HA THR 66 HA THR 66 2.711 1.438 6.033 502 HB THR 66 HB THR 66 0.152 2.252 7.351 503 HG1 THR 66 1HG THR 66 2.530 3.726 7.252 504 HG21 THR 66 1HG2 THR 66 1.526 1.603 9.375 505 HG22 THR 66 2HG2 THR 66 2.764 1.047 8.248 506 HG23 THR 66 3HG2 THR 66 1.167 0.300 8.242 507 H ILE 67 H ILE 67 2.019 -0.640 5.853 508 HA ILE 67 HA ILE 67 -0.677 -1.171 4.863 509 HB ILE 67 HB ILE 67 1.803 -2.184 3.467 510 HG12 ILE 67 1HG1 ILE 67 -0.407 -0.387 2.446 511 HG13 ILE 67 2HG1 ILE 67 1.180 0.176 2.961 512 HG21 ILE 67 1HG2 ILE 67 0.314 -3.345 1.966 513 HG22 ILE 67 2HG2 ILE 67 -0.014 -3.852 3.623 514 HG23 ILE 67 3HG2 ILE 67 -1.093 -2.711 2.819 515 HD11 ILE 67 1HD1 ILE 67 2.142 -1.352 1.194 516 HD12 ILE 67 2HD1 ILE 67 0.493 -1.527 0.591 517 HD13 ILE 67 3HD1 ILE 67 1.258 0.062 0.621 518 H THR 68 H THR 68 -1.521 -2.681 6.121 519 HA THR 68 HA THR 68 0.268 -4.587 7.460 520 HB THR 68 HB THR 68 -2.626 -4.103 8.152 521 HG1 THR 68 1HG THR 68 -1.998 -2.480 9.474 522 HG21 THR 68 1HG2 THR 68 -1.702 -6.127 9.085 523 HG22 THR 68 2HG2 THR 68 -1.864 -4.931 10.372 524 HG23 THR 68 3HG2 THR 68 -0.282 -5.257 9.664 525 H GLY 69 H GLY 69 -0.420 -6.817 7.672 526 HA2 GLY 69 1HA GLY 69 -2.211 -8.430 6.914 527 HA3 GLY 69 2HA GLY 69 -2.004 -7.687 5.336 528 H TYR 70 H TYR 70 -1.737 -10.355 5.481 529 HA TYR 70 HA TYR 70 0.547 -11.619 6.135 530 HB2 TYR 70 1HB TYR 70 -1.274 -11.862 3.795 531 HB3 TYR 70 2HB TYR 70 0.254 -12.733 3.724 532 HD1 TYR 70 2HD TYR 70 0.621 -13.582 6.504 533 HD2 TYR 70 1HD TYR 70 -2.909 -13.478 4.132 534 HE1 TYR 70 2HE TYR 70 -0.343 -15.388 7.869 535 HE2 TYR 70 1HE TYR 70 -3.884 -15.282 5.490 536 HH TYR 70 HH TYR 70 -2.121 -17.209 7.522 537 H GLU 71 H GLU 71 2.640 -11.280 5.835 538 HA GLU 71 HA GLU 71 3.882 -9.244 4.620 539 HB2 GLU 71 1HB GLU 71 5.166 -10.801 5.899 540 HB3 GLU 71 2HB GLU 71 4.812 -12.110 4.780 541 HG2 GLU 71 1HG GLU 71 6.108 -10.939 3.044 542 HG3 GLU 71 2HG GLU 71 6.515 -9.692 4.223 543 H LYS 72 H LYS 72 3.024 -12.279 2.988 544 HA LYS 72 HA LYS 72 4.047 -11.505 0.453 545 HB2 LYS 72 1HB LYS 72 3.023 -13.481 -0.395 546 HB3 LYS 72 2HB LYS 72 3.602 -13.866 1.221 547 HG2 LYS 72 1HG LYS 72 1.538 -14.799 1.334 548 HG3 LYS 72 2HG LYS 72 1.139 -13.168 1.879 549 HD2 LYS 72 1HD LYS 72 0.150 -12.598 -0.137 550 HD3 LYS 72 2HD LYS 72 1.024 -13.844 -1.033 551 HE2 LYS 72 1HE LYS 72 -0.961 -14.583 1.086 552 HE3 LYS 72 2HE LYS 72 -1.496 -14.174 -0.543 553 HZ1 LYS 72 1HZ LYS 72 -1.193 -16.379 -0.826 554 HZ2 LYS 72 2HZ LYS 72 -0.035 -16.511 0.399 555 HZ3 LYS 72 3HZ LYS 72 0.405 -15.910 -1.119 556 H ASN 73 H ASN 73 0.878 -11.286 1.982 557 HA ASN 73 HA ASN 73 -0.569 -10.479 -0.301 558 HB2 ASN 73 1HB ASN 73 -1.021 -10.227 2.658 559 HB3 ASN 73 2HB ASN 73 -2.109 -9.434 1.524 560 HD21 ASN 73 1HD2 ASN 73 -3.184 -11.241 3.142 561 HD22 ASN 73 2HD2 ASN 73 -3.558 -12.701 2.297 562 H THR 74 H THR 74 1.243 -8.683 2.131 563 HA THR 74 HA THR 74 0.428 -6.095 1.413 564 HB THR 74 HB THR 74 2.454 -5.299 2.534 565 HG1 THR 74 1HG THR 74 3.209 -8.019 2.859 566 HG21 THR 74 1HG2 THR 74 1.385 -5.672 4.452 567 HG22 THR 74 2HG2 THR 74 1.980 -7.333 4.478 568 HG23 THR 74 3HG2 THR 74 0.457 -6.953 3.676 569 H GLU 75 H GLU 75 3.549 -7.644 0.631 570 HA GLU 75 HA GLU 75 4.621 -5.888 -1.100 571 HB2 GLU 75 1HB GLU 75 4.522 -8.851 -1.676 572 HB3 GLU 75 2HB GLU 75 5.750 -7.712 -2.211 573 HG2 GLU 75 1HG GLU 75 5.998 -7.330 0.397 574 HG3 GLU 75 2HG GLU 75 5.348 -8.967 0.442 575 H ALA 76 H ALA 76 2.217 -8.345 -2.020 576 HA ALA 76 HA ALA 76 2.005 -7.809 -4.714 577 HB1 ALA 76 1HB ALA 76 0.660 -9.397 -2.918 578 HB2 ALA 76 2HB ALA 76 -0.591 -8.290 -3.487 579 HB3 ALA 76 3HB ALA 76 0.315 -9.267 -4.643 580 H ALA 77 H ALA 77 0.458 -6.134 -2.013 581 HA ALA 77 HA ALA 77 -1.035 -4.367 -3.723 582 HB1 ALA 77 1HB ALA 77 -2.082 -3.657 -1.844 583 HB2 ALA 77 2HB ALA 77 -1.436 -5.170 -1.207 584 HB3 ALA 77 3HB ALA 77 -0.600 -3.650 -0.887 585 H ARG 78 H ARG 78 1.754 -3.991 -1.538 586 HA ARG 78 HA ARG 78 2.250 -1.294 -1.993 587 HB2 ARG 78 1HB ARG 78 4.219 -1.604 -0.855 588 HB3 ARG 78 2HB ARG 78 3.357 -3.058 -0.369 589 HG2 ARG 78 1HG ARG 78 5.345 -3.984 -0.940 590 HG3 ARG 78 2HG ARG 78 4.550 -4.042 -2.514 591 HD2 ARG 78 1HD ARG 78 5.615 -1.621 -2.713 592 HD3 ARG 78 2HD ARG 78 6.755 -2.300 -1.552 593 HE ARG 78 HE ARG 78 6.266 -3.922 -3.896 594 HH11 ARG 78 1HH1 ARG 78 8.240 -1.471 -2.410 595 HH12 ARG 78 2HH1 ARG 78 9.601 -1.755 -3.443 596 HH21 ARG 78 1HH2 ARG 78 8.051 -4.307 -5.262 597 HH22 ARG 78 2HH2 ARG 78 9.492 -3.369 -5.065 598 H ASP 79 H ASP 79 2.751 -4.007 -4.049 599 HA ASP 79 HA ASP 79 4.793 -2.936 -5.699 600 HB2 ASP 79 1HB ASP 79 4.089 -5.361 -5.566 601 HB3 ASP 79 2HB ASP 79 2.680 -4.927 -6.530 602 H ALA 80 H ALA 80 1.277 -2.765 -5.768 603 HA ALA 80 HA ALA 80 1.043 -1.571 -8.324 604 HB1 ALA 80 1HB ALA 80 -0.715 -2.212 -6.103 605 HB2 ALA 80 2HB ALA 80 -1.156 -0.702 -6.903 606 HB3 ALA 80 3HB ALA 80 -1.041 -2.195 -7.836 607 H ILE 81 H ILE 81 0.791 -0.123 -5.071 608 HA ILE 81 HA ILE 81 0.463 2.493 -5.619 609 HB ILE 81 HB ILE 81 2.418 1.373 -3.608 610 HG12 ILE 81 1HG1 ILE 81 -0.398 2.359 -3.149 611 HG13 ILE 81 2HG1 ILE 81 -0.027 0.673 -3.492 612 HG21 ILE 81 1HG2 ILE 81 1.407 3.778 -2.656 613 HG22 ILE 81 2HG2 ILE 81 3.038 3.479 -3.257 614 HG23 ILE 81 3HG2 ILE 81 1.796 4.095 -4.347 615 HD11 ILE 81 1HD1 ILE 81 1.656 1.601 -1.383 616 HD12 ILE 81 2HD1 ILE 81 -0.027 1.974 -1.010 617 HD13 ILE 81 3HD1 ILE 81 0.450 0.314 -1.367 618 H LEU 82 H LEU 82 3.414 0.657 -6.109 619 HA LEU 82 HA LEU 82 4.970 2.986 -6.804 620 HB2 LEU 82 1HB LEU 82 5.652 0.087 -7.248 621 HB3 LEU 82 2HB LEU 82 6.765 1.454 -7.226 622 HG LEU 82 HG LEU 82 5.225 0.439 -4.838 623 HD11 LEU 82 1HD1 LEU 82 6.746 -1.222 -4.986 624 HD12 LEU 82 2HD1 LEU 82 7.800 -0.018 -4.248 625 HD13 LEU 82 3HD1 LEU 82 7.845 -0.277 -5.992 626 HD21 LEU 82 1HD2 LEU 82 6.681 2.867 -5.361 627 HD22 LEU 82 2HD2 LEU 82 7.445 1.946 -4.065 628 HD23 LEU 82 3HD2 LEU 82 5.746 2.402 -3.940 629 H ARG 83 H ARG 83 3.879 0.089 -8.580 630 HA ARG 83 HA ARG 83 4.691 0.640 -11.099 631 HB2 ARG 83 1HB ARG 83 3.261 -1.311 -10.265 632 HB3 ARG 83 2HB ARG 83 1.871 -0.278 -10.572 633 HG2 ARG 83 1HG ARG 83 2.844 -0.043 -12.945 634 HG3 ARG 83 2HG ARG 83 3.804 -1.462 -12.523 635 HD2 ARG 83 1HD ARG 83 1.559 -2.505 -11.818 636 HD3 ARG 83 2HD ARG 83 0.824 -1.199 -12.745 637 HE ARG 83 HE ARG 83 2.739 -2.432 -14.358 638 HH11 ARG 83 1HH1 ARG 83 -0.312 -3.171 -12.853 639 HH12 ARG 83 2HH1 ARG 83 -0.781 -4.317 -14.066 640 HH21 ARG 83 1HH2 ARG 83 2.134 -3.939 -15.961 641 HH22 ARG 83 2HH2 ARG 83 0.611 -4.753 -15.832 642 H ILE 84 H ILE 84 1.887 2.063 -9.480 643 HA ILE 84 HA ILE 84 0.907 3.510 -11.691 644 HB ILE 84 HB ILE 84 0.641 4.248 -8.775 645 HG12 ILE 84 1HG1 ILE 84 -1.428 2.727 -10.318 646 HG13 ILE 84 2HG1 ILE 84 -0.062 1.860 -9.625 647 HG21 ILE 84 1HG2 ILE 84 -1.601 4.814 -10.524 648 HG22 ILE 84 2HG2 ILE 84 -0.747 5.872 -9.401 649 HG23 ILE 84 3HG2 ILE 84 -0.130 5.642 -11.036 650 HD11 ILE 84 1HD1 ILE 84 -0.903 1.975 -7.568 651 HD12 ILE 84 2HD1 ILE 84 -1.350 3.672 -7.746 652 HD13 ILE 84 3HD1 ILE 84 -2.418 2.411 -8.358 653 H VAL 85 H VAL 85 2.644 4.791 -8.846 654 HA VAL 85 HA VAL 85 3.121 7.331 -9.500 655 HB VAL 85 HB VAL 85 5.235 5.428 -8.486 656 HG11 VAL 85 1HG1 VAL 85 6.660 7.127 -8.642 657 HG12 VAL 85 2HG1 VAL 85 5.383 8.217 -9.186 658 HG13 VAL 85 3HG1 VAL 85 5.675 7.990 -7.462 659 HG21 VAL 85 1HG2 VAL 85 4.335 5.609 -6.434 660 HG22 VAL 85 2HG2 VAL 85 3.927 7.310 -6.651 661 HG23 VAL 85 3HG2 VAL 85 2.870 6.059 -7.307 662 H GLY 86 H GLY 86 5.193 4.677 -10.688 663 HA2 GLY 86 1HA GLY 86 6.954 6.043 -12.256 664 HA3 GLY 86 2HA GLY 86 6.313 4.466 -12.694 665 H GLU 87 H GLU 87 3.651 5.126 -13.172 666 HA GLU 87 HA GLU 87 3.855 6.192 -15.809 667 HB2 GLU 87 1HB GLU 87 1.198 5.933 -14.497 668 HB3 GLU 87 2HB GLU 87 1.703 5.463 -16.115 669 HG2 GLU 87 1HG GLU 87 3.132 3.699 -14.763 670 HG3 GLU 87 2HG GLU 87 1.871 3.967 -13.561 671 H LEU 88 H LEU 88 2.243 7.337 -12.848 672 HA LEU 88 HA LEU 88 1.114 9.660 -13.697 673 HB2 LEU 88 1HB LEU 88 2.709 9.538 -11.154 674 HB3 LEU 88 2HB LEU 88 1.254 10.476 -11.483 675 HG LEU 88 HG LEU 88 1.453 7.497 -11.068 676 HD11 LEU 88 1HD1 LEU 88 1.073 9.668 -9.306 677 HD12 LEU 88 2HD1 LEU 88 0.960 7.943 -8.957 678 HD13 LEU 88 3HD1 LEU 88 -0.476 8.838 -9.456 679 HD21 LEU 88 1HD2 LEU 88 -1.008 7.511 -11.334 680 HD22 LEU 88 2HD2 LEU 88 -0.146 7.889 -12.825 681 HD23 LEU 88 3HD2 LEU 88 -0.908 9.180 -11.895 682 H GLU 89 H GLU 89 4.520 9.019 -13.242 683 HA GLU 89 HA GLU 89 5.404 11.714 -13.369 684 HB2 GLU 89 1HB GLU 89 6.677 9.033 -13.554 685 HB3 GLU 89 2HB GLU 89 7.576 10.399 -14.202 686 HG2 GLU 89 1HG GLU 89 8.328 10.240 -12.019 687 HG3 GLU 89 2HG GLU 89 7.117 11.519 -11.942 688 H GLN 90 H GLN 90 5.448 9.107 -15.804 689 HA GLN 90 HA GLN 90 6.358 10.666 -17.937 690 HB2 GLN 90 1HB GLN 90 6.397 8.272 -18.104 691 HB3 GLN 90 2HB GLN 90 4.653 8.175 -17.896 692 HG2 GLN 90 1HG GLN 90 5.706 9.730 -20.195 693 HG3 GLN 90 2HG GLN 90 5.786 7.971 -20.263 694 HE21 GLN 90 1HE2 GLN 90 3.901 10.652 -20.851 695 HE22 GLN 90 2HE2 GLN 90 2.372 9.870 -21.036 696 H MET 91 H MET 91 3.016 9.723 -17.127 697 HA MET 91 HA MET 91 1.545 10.847 -19.059 698 HB2 MET 91 1HB MET 91 1.134 10.828 -16.091 699 HB3 MET 91 2HB MET 91 -0.032 11.643 -17.125 700 HG2 MET 91 1HG MET 91 0.781 8.756 -17.377 701 HG3 MET 91 2HG MET 91 -0.674 9.337 -16.570 702 HE1 MET 91 1HE MET 91 -2.522 10.042 -17.331 703 HE2 MET 91 2HE MET 91 -2.776 10.908 -18.847 704 HE3 MET 91 3HE MET 91 -3.193 9.198 -18.727 705 H SER 92 H SER 92 0.594 12.885 -19.507 706 HA SER 92 HA SER 92 2.383 15.058 -19.378 707 HB2 SER 92 1HB SER 92 0.428 14.560 -21.043 708 HB3 SER 92 2HB SER 92 -0.551 15.449 -19.877 709 HG SER 92 HG SER 92 1.452 16.349 -21.578 710 H GLY 93 H GLY 93 2.568 16.755 -18.017 711 HA2 GLY 93 1HA GLY 93 0.667 17.888 -16.384 712 HA3 GLY 93 2HA GLY 93 1.347 16.572 -15.438 713 HA PRO 94 HA PRO 94 4.025 20.550 -15.456 714 HB2 PRO 94 1HB PRO 94 3.139 21.723 -13.173 715 HB3 PRO 94 2HB PRO 94 2.460 22.084 -14.765 716 HG2 PRO 94 1HG PRO 94 1.421 20.257 -12.633 717 HG3 PRO 94 2HG PRO 94 0.535 21.412 -13.646 718 HD2 PRO 94 1HD PRO 94 0.577 18.753 -14.160 719 HD3 PRO 94 2HD PRO 94 0.470 19.972 -15.446 720 H SER 95 H SER 95 5.918 19.708 -14.830 721 HA SER 95 HA SER 95 6.096 18.488 -12.155 722 HB2 SER 95 1HB SER 95 6.662 17.161 -14.343 723 HB3 SER 95 2HB SER 95 8.175 18.065 -14.277 724 HG SER 95 HG SER 95 8.725 17.056 -12.450 725 H SER 96 H SER 96 7.967 20.421 -14.488 726 HA SER 96 HA SER 96 9.338 21.679 -12.201 727 HB2 SER 96 1HB SER 96 10.362 21.161 -15.001 728 HB3 SER 96 2HB SER 96 11.212 22.134 -13.801 729 HG SER 96 HG SER 96 10.395 19.522 -13.162 730 H GLY 97 H GLY 97 9.710 23.919 -12.275 731 HA2 GLY 97 1HA GLY 97 9.506 26.089 -13.162 732 HA3 GLY 97 2HA GLY 97 8.526 25.439 -14.468 Start of MODEL 15 1 H1 GLY 1 H GLY 1 4.565 -27.586 -3.666 2 HA2 GLY 1 1HA GLY 1 6.776 -28.994 -4.666 3 HA3 GLY 1 2HA GLY 1 6.931 -27.314 -5.162 4 H SER 2 H SER 2 5.995 -29.076 -2.202 5 HA SER 2 HA SER 2 8.164 -27.877 -0.728 6 HB2 SER 2 1HB SER 2 6.849 -26.643 0.855 7 HB3 SER 2 2HB SER 2 6.361 -26.109 -0.754 8 HG SER 2 HG SER 2 4.677 -26.707 0.918 9 H SER 3 H SER 3 8.614 -28.945 1.182 10 HA SER 3 HA SER 3 7.373 -31.550 1.446 11 HB2 SER 3 1HB SER 3 9.844 -30.246 2.497 12 HB3 SER 3 2HB SER 3 9.182 -31.613 3.394 13 HG SER 3 HG SER 3 10.603 -31.623 1.124 14 H GLY 4 H GLY 4 5.658 -31.863 2.692 15 HA2 GLY 4 1HA GLY 4 4.083 -31.567 4.341 16 HA3 GLY 4 2HA GLY 4 5.472 -31.319 5.388 17 H SER 5 H SER 5 3.048 -29.747 3.410 18 HA SER 5 HA SER 5 3.905 -27.084 4.016 19 HB2 SER 5 1HB SER 5 2.493 -27.884 2.005 20 HB3 SER 5 2HB SER 5 1.126 -27.822 3.117 21 HG SER 5 HG SER 5 1.141 -25.725 2.989 22 H SER 6 H SER 6 0.992 -28.917 4.965 23 HA SER 6 HA SER 6 0.188 -27.079 6.949 24 HB2 SER 6 1HB SER 6 -0.525 -29.938 6.350 25 HB3 SER 6 2HB SER 6 -1.163 -29.133 7.784 26 HG SER 6 HG SER 6 -1.784 -27.423 6.164 27 H GLY 7 H GLY 7 0.249 -27.262 9.233 28 HA2 GLY 7 1HA GLY 7 1.321 -29.109 10.870 29 HA3 GLY 7 2HA GLY 7 2.757 -28.347 10.200 30 H GLU 8 H GLU 8 3.291 -26.250 10.792 31 HA GLU 8 HA GLU 8 1.547 -24.808 12.615 32 HB2 GLU 8 1HB GLU 8 4.228 -25.922 13.421 33 HB3 GLU 8 2HB GLU 8 3.503 -24.547 14.242 34 HG2 GLU 8 1HG GLU 8 1.671 -25.844 14.991 35 HG3 GLU 8 2HG GLU 8 2.114 -27.193 13.945 36 H GLN 9 H GLN 9 1.855 -22.630 12.560 37 HA GLN 9 HA GLN 9 4.260 -21.553 11.311 38 HB2 GLN 9 1HB GLN 9 2.999 -20.189 9.733 39 HB3 GLN 9 2HB GLN 9 2.686 -21.897 9.456 40 HG2 GLN 9 1HG GLN 9 0.538 -21.763 10.412 41 HG3 GLN 9 2HG GLN 9 0.863 -20.172 11.101 42 HE21 GLN 9 1HE2 GLN 9 -0.333 -21.897 8.443 43 HE22 GLN 9 2HE2 GLN 9 -0.617 -20.556 7.392 44 H GLU 10 H GLU 10 4.010 -19.021 11.261 45 HA GLU 10 HA GLU 10 2.977 -18.236 13.904 46 HB2 GLU 10 1HB GLU 10 4.672 -16.414 13.813 47 HB3 GLU 10 2HB GLU 10 5.371 -18.026 13.822 48 HG2 GLU 10 1HG GLU 10 6.052 -17.890 11.622 49 HG3 GLU 10 2HG GLU 10 4.886 -16.626 11.232 50 H ASP 11 H ASP 11 0.946 -18.115 12.437 51 HA ASP 11 HA ASP 11 0.657 -15.997 10.601 52 HB2 ASP 11 1HB ASP 11 -1.008 -17.624 10.446 53 HB3 ASP 11 2HB ASP 11 -1.265 -17.666 12.188 54 H ARG 12 H ARG 12 0.025 -16.219 14.077 55 HA ARG 12 HA ARG 12 -1.245 -13.858 14.583 56 HB2 ARG 12 1HB ARG 12 -0.142 -13.870 16.797 57 HB3 ARG 12 2HB ARG 12 -0.765 -15.451 16.343 58 HG2 ARG 12 1HG ARG 12 1.414 -16.254 15.836 59 HG3 ARG 12 2HG ARG 12 2.107 -14.637 15.979 60 HD2 ARG 12 1HD ARG 12 2.661 -15.726 17.987 61 HD3 ARG 12 2HD ARG 12 1.303 -14.674 18.389 62 HE ARG 12 HE ARG 12 0.105 -17.023 17.805 63 HH11 ARG 12 1HH1 ARG 12 2.721 -16.140 19.925 64 HH12 ARG 12 2HH1 ARG 12 2.393 -17.400 21.069 65 HH21 ARG 12 1HH2 ARG 12 -0.337 -18.687 19.303 66 HH22 ARG 12 2HH2 ARG 12 0.654 -18.849 20.713 67 H ALA 13 H ALA 13 2.227 -14.334 14.086 68 HA ALA 13 HA ALA 13 2.840 -11.550 14.472 69 HB1 ALA 13 1HB ALA 13 4.343 -14.021 13.973 70 HB2 ALA 13 2HB ALA 13 5.047 -12.566 13.263 71 HB3 ALA 13 3HB ALA 13 4.733 -12.638 14.998 72 H LEU 14 H LEU 14 2.596 -13.746 11.696 73 HA LEU 14 HA LEU 14 3.434 -12.053 9.679 74 HB2 LEU 14 1HB LEU 14 1.418 -14.267 9.751 75 HB3 LEU 14 2HB LEU 14 1.725 -13.371 8.266 76 HG LEU 14 HG LEU 14 3.664 -15.097 9.798 77 HD11 LEU 14 1HD1 LEU 14 1.990 -16.211 8.324 78 HD12 LEU 14 2HD1 LEU 14 3.667 -16.471 7.845 79 HD13 LEU 14 3HD1 LEU 14 2.668 -15.315 6.964 80 HD21 LEU 14 1HD2 LEU 14 4.124 -12.900 7.920 81 HD22 LEU 14 2HD2 LEU 14 4.914 -14.412 7.471 82 HD23 LEU 14 3HD2 LEU 14 5.232 -13.684 9.047 83 H ARG 15 H ARG 15 0.107 -12.507 10.872 84 HA ARG 15 HA ARG 15 -1.106 -10.593 9.233 85 HB2 ARG 15 1HB ARG 15 -2.992 -10.738 10.673 86 HB3 ARG 15 2HB ARG 15 -2.258 -12.336 10.648 87 HG2 ARG 15 1HG ARG 15 -1.540 -12.195 12.819 88 HG3 ARG 15 2HG ARG 15 -1.478 -10.432 12.798 89 HD2 ARG 15 1HD ARG 15 -3.971 -10.422 12.690 90 HD3 ARG 15 2HD ARG 15 -3.938 -12.170 12.909 91 HE ARG 15 HE ARG 15 -2.464 -11.001 14.977 92 HH11 ARG 15 1HH1 ARG 15 -5.751 -11.181 13.842 93 HH12 ARG 15 2HH1 ARG 15 -6.444 -10.988 15.418 94 HH21 ARG 15 1HH2 ARG 15 -3.364 -10.748 17.057 95 HH22 ARG 15 2HH2 ARG 15 -5.085 -10.741 17.246 96 H SER 16 H SER 16 1.045 -10.190 11.821 97 HA SER 16 HA SER 16 0.159 -7.439 12.323 98 HB2 SER 16 1HB SER 16 0.590 -8.976 14.266 99 HB3 SER 16 2HB SER 16 2.290 -9.002 13.797 100 HG SER 16 HG SER 16 0.753 -6.871 14.804 101 H PHE 17 H PHE 17 1.578 -8.395 9.885 102 HA PHE 17 HA PHE 17 4.216 -7.222 10.074 103 HB2 PHE 17 1HB PHE 17 4.231 -9.033 8.616 104 HB3 PHE 17 2HB PHE 17 2.663 -8.623 7.930 105 HD1 PHE 17 2HD PHE 17 2.507 -6.610 6.408 106 HD2 PHE 17 1HD PHE 17 6.211 -8.341 7.593 107 HE1 PHE 17 2HE PHE 17 3.624 -5.509 4.513 108 HE2 PHE 17 1HE PHE 17 7.335 -7.242 5.700 109 HZ PHE 17 HZ PHE 17 6.041 -5.824 4.156 110 H LYS 18 H LYS 18 4.684 -5.160 9.716 111 HA LYS 18 HA LYS 18 2.677 -3.487 8.356 112 HB2 LYS 18 1HB LYS 18 3.071 -2.921 10.732 113 HB3 LYS 18 2HB LYS 18 4.772 -2.652 10.371 114 HG2 LYS 18 1HG LYS 18 4.214 -0.799 8.927 115 HG3 LYS 18 2HG LYS 18 2.490 -1.104 9.160 116 HD2 LYS 18 1HD LYS 18 4.281 -0.581 11.504 117 HD3 LYS 18 2HD LYS 18 3.636 0.755 10.548 118 HE2 LYS 18 1HE LYS 18 1.403 0.165 11.061 119 HE3 LYS 18 2HE LYS 18 1.889 -1.400 11.711 120 HZ1 LYS 18 1HZ LYS 18 1.325 0.478 13.337 121 HZ2 LYS 18 2HZ LYS 18 2.846 1.104 12.942 122 HZ3 LYS 18 3HZ LYS 18 2.719 -0.436 13.629 123 H LEU 19 H LEU 19 3.221 -2.733 6.425 124 HA LEU 19 HA LEU 19 6.072 -2.631 5.707 125 HB2 LEU 19 1HB LEU 19 5.036 -4.098 4.227 126 HB3 LEU 19 2HB LEU 19 3.580 -3.109 4.120 127 HG LEU 19 HG LEU 19 5.188 -1.402 2.953 128 HD11 LEU 19 1HD1 LEU 19 6.795 -2.850 1.516 129 HD12 LEU 19 2HD1 LEU 19 6.696 -3.978 2.867 130 HD13 LEU 19 3HD1 LEU 19 7.289 -2.338 3.130 131 HD21 LEU 19 1HD2 LEU 19 3.271 -3.088 2.091 132 HD22 LEU 19 2HD2 LEU 19 4.651 -3.685 1.170 133 HD23 LEU 19 3HD2 LEU 19 4.164 -1.994 1.034 134 H SER 20 H SER 20 6.847 -0.853 4.471 135 HA SER 20 HA SER 20 5.150 1.549 4.545 136 HB2 SER 20 1HB SER 20 6.788 2.858 5.553 137 HB3 SER 20 2HB SER 20 6.987 1.324 6.400 138 HG SER 20 HG SER 20 9.003 1.828 5.780 139 H VAL 21 H VAL 21 4.829 2.103 2.497 140 HA VAL 21 HA VAL 21 6.840 1.544 0.473 141 HB VAL 21 HB VAL 21 4.283 2.987 -0.107 142 HG11 VAL 21 1HG1 VAL 21 6.067 1.069 -1.583 143 HG12 VAL 21 2HG1 VAL 21 4.458 1.510 -2.158 144 HG13 VAL 21 3HG1 VAL 21 5.702 2.748 -1.979 145 HG21 VAL 21 1HG2 VAL 21 3.573 1.185 1.329 146 HG22 VAL 21 2HG2 VAL 21 3.151 0.796 -0.339 147 HG23 VAL 21 3HG2 VAL 21 4.547 0.029 0.420 148 H THR 22 H THR 22 8.229 2.990 -0.305 149 HA THR 22 HA THR 22 8.124 5.720 0.680 150 HB THR 22 HB THR 22 10.225 4.531 -1.132 151 HG1 THR 22 1HG THR 22 10.169 3.246 0.707 152 HG21 THR 22 1HG2 THR 22 10.909 6.671 -1.082 153 HG22 THR 22 2HG2 THR 22 11.424 6.317 0.567 154 HG23 THR 22 3HG2 THR 22 9.856 7.069 0.275 155 H VAL 23 H VAL 23 6.721 6.976 -0.409 156 HA VAL 23 HA VAL 23 7.257 7.490 -3.213 157 HB VAL 23 HB VAL 23 4.512 6.609 -2.305 158 HG11 VAL 23 1HG1 VAL 23 4.290 8.400 -3.886 159 HG12 VAL 23 2HG1 VAL 23 5.484 7.664 -4.957 160 HG13 VAL 23 3HG1 VAL 23 3.922 6.883 -4.708 161 HG21 VAL 23 1HG2 VAL 23 4.843 4.806 -3.978 162 HG22 VAL 23 2HG2 VAL 23 6.514 5.338 -4.170 163 HG23 VAL 23 3HG2 VAL 23 5.960 4.713 -2.616 164 H ASP 24 H ASP 24 7.279 9.617 -3.467 165 HA ASP 24 HA ASP 24 6.900 11.561 -1.673 166 HB2 ASP 24 1HB ASP 24 6.134 11.692 -4.596 167 HB3 ASP 24 2HB ASP 24 6.302 13.103 -3.555 168 HA PRO 25 HA PRO 25 2.677 11.686 -0.445 169 HB2 PRO 25 1HB PRO 25 2.565 14.244 0.456 170 HB3 PRO 25 2HB PRO 25 3.388 12.951 1.335 171 HG2 PRO 25 1HG PRO 25 4.540 15.057 -0.453 172 HG3 PRO 25 2HG PRO 25 5.139 14.466 1.108 173 HD2 PRO 25 1HD PRO 25 6.181 13.652 -1.256 174 HD3 PRO 25 2HD PRO 25 6.107 12.596 0.169 175 H LYS 26 H LYS 26 3.856 13.176 -3.139 176 HA LYS 26 HA LYS 26 1.644 14.915 -3.734 177 HB2 LYS 26 1HB LYS 26 2.713 15.255 -5.869 178 HB3 LYS 26 2HB LYS 26 3.940 15.298 -4.610 179 HG2 LYS 26 1HG LYS 26 4.357 12.847 -5.158 180 HG3 LYS 26 2HG LYS 26 3.392 13.130 -6.609 181 HD2 LYS 26 1HD LYS 26 5.838 14.721 -5.842 182 HD3 LYS 26 2HD LYS 26 5.839 13.367 -6.975 183 HE2 LYS 26 1HE LYS 26 4.291 14.564 -8.425 184 HE3 LYS 26 2HE LYS 26 4.234 15.903 -7.281 185 HZ1 LYS 26 1HZ LYS 26 6.860 15.695 -7.705 186 HZ2 LYS 26 2HZ LYS 26 5.846 16.721 -8.587 187 HZ3 LYS 26 3HZ LYS 26 6.274 15.211 -9.217 188 H TYR 27 H TYR 27 2.684 11.678 -4.710 189 HA TYR 27 HA TYR 27 0.378 11.330 -6.425 190 HB2 TYR 27 1HB TYR 27 2.447 9.289 -5.592 191 HB3 TYR 27 2HB TYR 27 1.306 9.145 -6.923 192 HD1 TYR 27 2HD TYR 27 1.510 11.756 -8.226 193 HD2 TYR 27 1HD TYR 27 4.561 9.305 -6.555 194 HE1 TYR 27 2HE TYR 27 3.153 12.773 -9.748 195 HE2 TYR 27 1HE TYR 27 6.212 10.316 -8.072 196 HH TYR 27 HH TYR 27 5.807 13.103 -9.636 197 H HIS 28 H HIS 28 1.169 10.844 -3.147 198 HA HIS 28 HA HIS 28 -0.201 8.621 -2.347 199 HB2 HIS 28 1HB HIS 28 0.397 11.241 -1.098 200 HB3 HIS 28 2HB HIS 28 -0.869 10.287 -0.330 201 HD2 HIS 28 2HD HIS 28 2.084 8.265 -1.786 202 HE1 HIS 28 1HE HIS 28 2.593 8.467 2.421 203 HE2 HIS 28 2HE HIS 28 3.452 7.485 0.266 204 HA PRO 29 HA PRO 29 -4.357 11.065 -2.118 205 HB2 PRO 29 1HB PRO 29 -4.415 13.545 -3.220 206 HB3 PRO 29 2HB PRO 29 -3.982 13.254 -1.531 207 HG2 PRO 29 1HG PRO 29 -2.200 13.718 -3.891 208 HG3 PRO 29 2HG PRO 29 -2.078 14.379 -2.251 209 HD2 PRO 29 1HD PRO 29 -0.572 12.294 -3.096 210 HD3 PRO 29 2HD PRO 29 -1.113 12.460 -1.413 211 H LYS 30 H LYS 30 -2.312 10.743 -4.775 212 HA LYS 30 HA LYS 30 -4.443 11.067 -6.749 213 HB2 LYS 30 1HB LYS 30 -1.488 10.508 -7.041 214 HB3 LYS 30 2HB LYS 30 -2.606 10.599 -8.396 215 HG2 LYS 30 1HG LYS 30 -2.390 12.878 -6.477 216 HG3 LYS 30 2HG LYS 30 -1.193 12.670 -7.757 217 HD2 LYS 30 1HD LYS 30 -2.870 12.826 -9.448 218 HD3 LYS 30 2HD LYS 30 -4.166 12.756 -8.251 219 HE2 LYS 30 1HE LYS 30 -2.120 14.943 -8.177 220 HE3 LYS 30 2HE LYS 30 -3.507 15.045 -9.259 221 HZ1 LYS 30 1HZ LYS 30 -4.872 14.575 -7.173 222 HZ2 LYS 30 2HZ LYS 30 -4.201 16.119 -7.337 223 HZ3 LYS 30 3HZ LYS 30 -3.477 14.988 -6.307 224 H ILE 31 H ILE 31 -2.731 8.621 -5.018 225 HA ILE 31 HA ILE 31 -3.515 6.491 -6.824 226 HB ILE 31 HB ILE 31 -2.243 6.270 -4.094 227 HG12 ILE 31 1HG1 ILE 31 -0.713 5.912 -6.632 228 HG13 ILE 31 2HG1 ILE 31 -1.054 7.552 -6.092 229 HG21 ILE 31 1HG2 ILE 31 -3.057 4.161 -4.543 230 HG22 ILE 31 2HG2 ILE 31 -2.841 4.332 -6.284 231 HG23 ILE 31 3HG2 ILE 31 -1.441 4.070 -5.244 232 HD11 ILE 31 1HD1 ILE 31 0.343 7.402 -4.316 233 HD12 ILE 31 2HD1 ILE 31 0.077 5.670 -4.108 234 HD13 ILE 31 3HD1 ILE 31 1.138 6.253 -5.391 235 H ILE 32 H ILE 32 -4.400 7.713 -3.631 236 HA ILE 32 HA ILE 32 -6.031 5.786 -2.638 237 HB ILE 32 HB ILE 32 -6.412 8.770 -2.631 238 HG12 ILE 32 1HG1 ILE 32 -5.764 6.938 -0.328 239 HG13 ILE 32 2HG1 ILE 32 -4.511 7.571 -1.388 240 HG21 ILE 32 1HG2 ILE 32 -8.619 7.770 -2.437 241 HG22 ILE 32 2HG2 ILE 32 -8.046 6.720 -1.143 242 HG23 ILE 32 3HG2 ILE 32 -8.118 8.464 -0.896 243 HD11 ILE 32 1HD1 ILE 32 -6.083 9.763 -0.603 244 HD12 ILE 32 2HD1 ILE 32 -5.770 8.806 0.845 245 HD13 ILE 32 3HD1 ILE 32 -4.424 9.385 -0.137 246 H GLY 33 H GLY 33 -6.912 8.166 -5.123 247 HA2 GLY 33 1HA GLY 33 -8.309 7.312 -6.966 248 HA3 GLY 33 2HA GLY 33 -9.258 6.481 -5.743 249 H ARG 34 H ARG 34 -9.786 8.662 -7.838 250 HA ARG 34 HA ARG 34 -10.355 11.109 -6.776 251 HB2 ARG 34 1HB ARG 34 -10.740 10.647 -9.111 252 HB3 ARG 34 2HB ARG 34 -12.003 9.488 -8.720 253 HG2 ARG 34 1HG ARG 34 -12.338 12.280 -7.773 254 HG3 ARG 34 2HG ARG 34 -12.551 11.951 -9.493 255 HD2 ARG 34 1HD ARG 34 -14.197 10.210 -8.935 256 HD3 ARG 34 2HD ARG 34 -13.999 10.589 -7.224 257 HE ARG 34 HE ARG 34 -15.505 12.079 -9.171 258 HH11 ARG 34 1HH1 ARG 34 -13.842 12.207 -6.115 259 HH12 ARG 34 2HH1 ARG 34 -14.739 13.572 -5.536 260 HH21 ARG 34 1HH2 ARG 34 -16.693 13.876 -8.419 261 HH22 ARG 34 2HH2 ARG 34 -16.361 14.520 -6.847 262 H LYS 35 H LYS 35 -12.573 8.317 -6.764 263 HA LYS 35 HA LYS 35 -14.220 9.664 -4.757 264 HB2 LYS 35 1HB LYS 35 -15.479 8.750 -6.573 265 HB3 LYS 35 2HB LYS 35 -14.658 7.200 -6.444 266 HG2 LYS 35 1HG LYS 35 -16.685 6.751 -5.461 267 HG3 LYS 35 2HG LYS 35 -15.686 7.148 -4.060 268 HD2 LYS 35 1HD LYS 35 -17.536 8.428 -3.622 269 HD3 LYS 35 2HD LYS 35 -16.568 9.583 -4.540 270 HE2 LYS 35 1HE LYS 35 -18.584 7.786 -5.857 271 HE3 LYS 35 2HE LYS 35 -19.033 9.345 -5.167 272 HZ1 LYS 35 1HZ LYS 35 -17.208 10.295 -6.611 273 HZ2 LYS 35 2HZ LYS 35 -18.595 9.754 -7.415 274 HZ3 LYS 35 3HZ LYS 35 -17.193 8.808 -7.420 275 H GLY 36 H GLY 36 -12.031 6.981 -5.147 276 HA2 GLY 36 1HA GLY 36 -10.840 6.273 -3.129 277 HA3 GLY 36 2HA GLY 36 -12.373 6.376 -2.275 278 H ALA 37 H ALA 37 -13.164 5.141 -5.180 279 HA ALA 37 HA ALA 37 -13.482 2.490 -4.128 280 HB1 ALA 37 1HB ALA 37 -14.302 3.902 -6.616 281 HB2 ALA 37 2HB ALA 37 -14.305 2.138 -6.601 282 HB3 ALA 37 3HB ALA 37 -15.281 3.032 -5.435 283 H VAL 38 H VAL 38 -11.028 4.095 -5.815 284 HA VAL 38 HA VAL 38 -10.031 1.904 -7.353 285 HB VAL 38 HB VAL 38 -8.633 4.421 -6.434 286 HG11 VAL 38 1HG1 VAL 38 -6.964 3.948 -8.106 287 HG12 VAL 38 2HG1 VAL 38 -7.093 2.566 -7.014 288 HG13 VAL 38 3HG1 VAL 38 -7.830 2.499 -8.615 289 HG21 VAL 38 1HG2 VAL 38 -10.490 4.988 -7.822 290 HG22 VAL 38 2HG2 VAL 38 -9.031 5.127 -8.804 291 HG23 VAL 38 3HG2 VAL 38 -10.084 3.723 -8.982 292 H ILE 39 H ILE 39 -8.408 3.574 -4.657 293 HA ILE 39 HA ILE 39 -6.579 1.604 -4.057 294 HB ILE 39 HB ILE 39 -6.565 3.892 -3.092 295 HG12 ILE 39 1HG1 ILE 39 -6.066 2.975 -0.642 296 HG13 ILE 39 2HG1 ILE 39 -6.203 1.422 -1.459 297 HG21 ILE 39 1HG2 ILE 39 -8.224 3.195 -0.796 298 HG22 ILE 39 2HG2 ILE 39 -8.162 4.681 -1.742 299 HG23 ILE 39 3HG2 ILE 39 -9.127 3.319 -2.306 300 HD11 ILE 39 1HD1 ILE 39 -4.379 3.620 -2.388 301 HD12 ILE 39 2HD1 ILE 39 -3.888 2.342 -1.274 302 HD13 ILE 39 3HD1 ILE 39 -4.403 1.936 -2.911 303 H THR 40 H THR 40 -9.948 1.815 -3.156 304 HA THR 40 HA THR 40 -9.945 -0.125 -1.106 305 HB THR 40 HB THR 40 -12.215 0.615 -2.963 306 HG1 THR 40 1HG THR 40 -12.773 2.011 -1.170 307 HG21 THR 40 1HG2 THR 40 -12.294 -0.604 -0.201 308 HG22 THR 40 2HG2 THR 40 -12.535 -1.499 -1.702 309 HG23 THR 40 3HG2 THR 40 -13.674 -0.236 -1.235 310 H GLN 41 H GLN 41 -10.185 -0.348 -4.601 311 HA GLN 41 HA GLN 41 -11.073 -3.001 -4.799 312 HB2 GLN 41 1HB GLN 41 -11.070 -1.485 -6.709 313 HB3 GLN 41 2HB GLN 41 -9.313 -1.415 -6.677 314 HG2 GLN 41 1HG GLN 41 -10.138 -2.881 -8.442 315 HG3 GLN 41 2HG GLN 41 -9.178 -3.760 -7.254 316 HE21 GLN 41 1HE2 GLN 41 -10.355 -4.965 -5.613 317 HE22 GLN 41 2HE2 GLN 41 -11.880 -5.665 -6.019 318 H ILE 42 H ILE 42 -7.749 -1.727 -5.040 319 HA ILE 42 HA ILE 42 -6.412 -4.144 -5.231 320 HB ILE 42 HB ILE 42 -5.488 -1.610 -3.872 321 HG12 ILE 42 1HG1 ILE 42 -4.559 -2.513 -6.561 322 HG13 ILE 42 2HG1 ILE 42 -6.161 -1.797 -6.434 323 HG21 ILE 42 1HG2 ILE 42 -4.237 -3.699 -3.236 324 HG22 ILE 42 2HG2 ILE 42 -3.765 -3.839 -4.928 325 HG23 ILE 42 3HG2 ILE 42 -3.265 -2.433 -3.988 326 HD11 ILE 42 1HD1 ILE 42 -5.220 0.224 -5.513 327 HD12 ILE 42 2HD1 ILE 42 -3.608 -0.493 -5.522 328 HD13 ILE 42 3HD1 ILE 42 -4.438 -0.167 -7.044 329 H ARG 43 H ARG 43 -7.208 -2.304 -2.289 330 HA ARG 43 HA ARG 43 -6.041 -3.889 -0.379 331 HB2 ARG 43 1HB ARG 43 -8.540 -2.239 -0.393 332 HB3 ARG 43 2HB ARG 43 -8.155 -3.214 1.019 333 HG2 ARG 43 1HG ARG 43 -6.136 -2.031 1.395 334 HG3 ARG 43 2HG ARG 43 -6.243 -1.223 -0.170 335 HD2 ARG 43 1HD ARG 43 -7.018 0.440 1.198 336 HD3 ARG 43 2HD ARG 43 -8.533 -0.369 0.802 337 HE ARG 43 HE ARG 43 -7.200 -0.318 3.368 338 HH11 ARG 43 1HH1 ARG 43 -9.602 -1.841 1.361 339 HH12 ARG 43 2HH1 ARG 43 -10.484 -2.507 2.696 340 HH21 ARG 43 1HH2 ARG 43 -8.352 -1.189 5.133 341 HH22 ARG 43 2HH2 ARG 43 -9.772 -2.135 4.841 342 H LEU 44 H LEU 44 -9.375 -4.237 -1.602 343 HA LEU 44 HA LEU 44 -9.920 -6.625 -0.208 344 HB2 LEU 44 1HB LEU 44 -11.143 -5.247 -2.561 345 HB3 LEU 44 2HB LEU 44 -11.685 -6.861 -2.105 346 HG LEU 44 HG LEU 44 -11.737 -4.483 -0.251 347 HD11 LEU 44 1HD1 LEU 44 -13.728 -3.852 -1.041 348 HD12 LEU 44 2HD1 LEU 44 -14.282 -5.514 -1.236 349 HD13 LEU 44 3HD1 LEU 44 -13.291 -4.763 -2.487 350 HD21 LEU 44 1HD2 LEU 44 -12.634 -7.325 -0.087 351 HD22 LEU 44 2HD2 LEU 44 -13.517 -6.079 0.794 352 HD23 LEU 44 3HD2 LEU 44 -11.801 -6.338 1.113 353 H GLU 45 H GLU 45 -8.605 -5.987 -3.414 354 HA GLU 45 HA GLU 45 -8.724 -8.545 -4.494 355 HB2 GLU 45 1HB GLU 45 -7.986 -6.356 -5.603 356 HB3 GLU 45 2HB GLU 45 -6.397 -6.683 -4.927 357 HG2 GLU 45 1HG GLU 45 -6.552 -7.418 -7.238 358 HG3 GLU 45 2HG GLU 45 -6.283 -8.778 -6.149 359 H HIS 46 H HIS 46 -6.187 -7.073 -2.494 360 HA HIS 46 HA HIS 46 -4.907 -9.703 -2.245 361 HB2 HIS 46 1HB HIS 46 -3.872 -6.952 -1.522 362 HB3 HIS 46 2HB HIS 46 -2.971 -8.455 -1.343 363 HD1 HIS 46 1HD HIS 46 -2.714 -9.807 -3.761 364 HD2 HIS 46 2HD HIS 46 -3.382 -5.707 -3.868 365 HE1 HIS 46 1HE HIS 46 -1.980 -9.065 -6.049 366 H ASP 47 H ASP 47 -7.338 -8.412 -0.793 367 HA ASP 47 HA ASP 47 -8.165 -8.225 1.342 368 HB2 ASP 47 1HB ASP 47 -6.721 -10.845 1.197 369 HB3 ASP 47 2HB ASP 47 -7.466 -10.350 2.715 370 H VAL 48 H VAL 48 -6.148 -6.480 1.210 371 HA VAL 48 HA VAL 48 -4.733 -6.849 3.770 372 HB VAL 48 HB VAL 48 -2.970 -5.294 2.772 373 HG11 VAL 48 1HG1 VAL 48 -2.134 -7.356 1.283 374 HG12 VAL 48 2HG1 VAL 48 -2.091 -7.365 3.046 375 HG13 VAL 48 3HG1 VAL 48 -3.414 -8.158 2.190 376 HG21 VAL 48 1HG2 VAL 48 -4.015 -4.442 0.848 377 HG22 VAL 48 2HG2 VAL 48 -2.800 -5.569 0.244 378 HG23 VAL 48 3HG2 VAL 48 -4.497 -6.047 0.297 379 H ASN 49 H ASN 49 -3.829 -4.555 4.464 380 HA ASN 49 HA ASN 49 -6.052 -2.636 4.206 381 HB2 ASN 49 1HB ASN 49 -5.935 -3.721 6.444 382 HB3 ASN 49 2HB ASN 49 -4.310 -3.072 6.642 383 HD21 ASN 49 1HD2 ASN 49 -5.985 -2.419 8.544 384 HD22 ASN 49 2HD2 ASN 49 -6.534 -0.788 8.400 385 H ILE 50 H ILE 50 -5.468 -0.845 3.191 386 HA ILE 50 HA ILE 50 -2.671 0.058 3.420 387 HB ILE 50 HB ILE 50 -4.557 0.676 1.147 388 HG12 ILE 50 1HG1 ILE 50 -2.268 -1.293 1.106 389 HG13 ILE 50 2HG1 ILE 50 -3.937 -1.776 1.391 390 HG21 ILE 50 1HG2 ILE 50 -3.025 2.270 0.799 391 HG22 ILE 50 2HG2 ILE 50 -1.864 1.526 1.897 392 HG23 ILE 50 3HG2 ILE 50 -1.997 0.953 0.235 393 HD11 ILE 50 1HD1 ILE 50 -2.594 -0.980 -1.094 394 HD12 ILE 50 2HD1 ILE 50 -3.941 -2.088 -0.827 395 HD13 ILE 50 3HD1 ILE 50 -4.225 -0.348 -0.874 396 H GLN 51 H GLN 51 -2.282 2.059 4.161 397 HA GLN 51 HA GLN 51 -4.469 4.002 4.261 398 HB2 GLN 51 1HB GLN 51 -4.105 2.609 6.457 399 HB3 GLN 51 2HB GLN 51 -2.733 3.687 6.677 400 HG2 GLN 51 1HG GLN 51 -4.175 5.610 6.651 401 HG3 GLN 51 2HG GLN 51 -5.570 4.601 6.270 402 HE21 GLN 51 1HE2 GLN 51 -6.847 4.511 7.967 403 HE22 GLN 51 2HE2 GLN 51 -6.352 4.279 9.605 404 H PHE 52 H PHE 52 -3.839 6.122 4.100 405 HA PHE 52 HA PHE 52 -0.992 6.547 3.513 406 HB2 PHE 52 1HB PHE 52 -3.421 8.155 2.699 407 HB3 PHE 52 2HB PHE 52 -1.759 8.569 2.292 408 HD1 PHE 52 2HD PHE 52 -4.526 6.257 1.658 409 HD2 PHE 52 1HD PHE 52 -0.550 7.354 0.605 410 HE1 PHE 52 2HE PHE 52 -4.677 4.855 -0.358 411 HE2 PHE 52 1HE PHE 52 -0.695 5.955 -1.413 412 HZ PHE 52 HZ PHE 52 -2.759 4.702 -1.896 413 HA PRO 53 HA PRO 53 -0.473 9.074 7.071 414 HB2 PRO 53 1HB PRO 53 1.533 10.686 6.207 415 HB3 PRO 53 2HB PRO 53 1.780 8.987 6.630 416 HG2 PRO 53 1HG PRO 53 1.432 10.237 3.932 417 HG3 PRO 53 2HG PRO 53 2.574 8.981 4.444 418 HD2 PRO 53 1HD PRO 53 0.294 8.416 3.099 419 HD3 PRO 53 2HD PRO 53 0.995 7.309 4.297 420 H ASP 54 H ASP 54 -0.725 11.230 7.865 421 HA ASP 54 HA ASP 54 -2.209 12.973 6.014 422 HB2 ASP 54 1HB ASP 54 -3.286 11.945 8.169 423 HB3 ASP 54 2HB ASP 54 -2.396 13.222 8.995 424 H LYS 55 H LYS 55 -1.556 15.022 5.684 425 HA LYS 55 HA LYS 55 1.057 15.798 6.477 426 HB2 LYS 55 1HB LYS 55 0.630 17.846 5.270 427 HB3 LYS 55 2HB LYS 55 -0.018 16.494 4.349 428 HG2 LYS 55 1HG LYS 55 -1.736 17.982 4.165 429 HG3 LYS 55 2HG LYS 55 -2.234 17.106 5.615 430 HD2 LYS 55 1HD LYS 55 -1.729 18.858 7.011 431 HD3 LYS 55 2HD LYS 55 -0.505 19.513 5.921 432 HE2 LYS 55 1HE LYS 55 -2.573 19.925 4.358 433 HE3 LYS 55 2HE LYS 55 -3.469 19.844 5.875 434 HZ1 LYS 55 1HZ LYS 55 -2.536 22.099 5.005 435 HZ2 LYS 55 2HZ LYS 55 -1.099 21.568 5.722 436 HZ3 LYS 55 3HZ LYS 55 -2.496 21.742 6.659 437 H ASP 56 H ASP 56 -2.086 16.276 7.830 438 HA ASP 56 HA ASP 56 -1.568 18.591 9.363 439 HB2 ASP 56 1HB ASP 56 -3.831 17.502 8.847 440 HB3 ASP 56 2HB ASP 56 -3.470 16.396 10.170 441 H ASP 57 H ASP 57 -1.231 15.138 10.062 442 HA ASP 57 HA ASP 57 -0.578 15.322 12.768 443 HB2 ASP 57 1HB ASP 57 -0.985 13.249 11.180 444 HB3 ASP 57 2HB ASP 57 0.772 13.278 11.055 445 H GLY 58 H GLY 58 1.689 14.955 10.028 446 HA2 GLY 58 1HA GLY 58 3.701 16.116 9.717 447 HA3 GLY 58 2HA GLY 58 3.547 16.773 11.339 448 H ASN 59 H ASN 59 3.903 15.220 13.144 449 HA ASN 59 HA ASN 59 6.368 14.181 13.262 450 HB2 ASN 59 1HB ASN 59 3.898 12.981 14.533 451 HB3 ASN 59 2HB ASN 59 5.550 12.594 15.006 452 HD21 ASN 59 1HD2 ASN 59 6.862 14.299 15.871 453 HD22 ASN 59 2HD2 ASN 59 6.118 15.617 16.704 454 H GLN 60 H GLN 60 3.596 12.620 11.786 455 HA GLN 60 HA GLN 60 5.076 10.179 11.267 456 HB2 GLN 60 1HB GLN 60 2.306 10.997 10.373 457 HB3 GLN 60 2HB GLN 60 3.006 9.391 10.222 458 HG2 GLN 60 1HG GLN 60 3.015 9.082 12.577 459 HG3 GLN 60 2HG GLN 60 2.595 10.771 12.858 460 HE21 GLN 60 1HE2 GLN 60 0.556 11.239 11.205 461 HE22 GLN 60 2HE2 GLN 60 -0.788 10.216 11.566 462 HA PRO 61 HA PRO 61 6.579 11.266 7.286 463 HB2 PRO 61 1HB PRO 61 6.608 8.829 6.089 464 HB3 PRO 61 2HB PRO 61 7.763 9.298 7.341 465 HG2 PRO 61 1HG PRO 61 5.274 7.654 7.582 466 HG3 PRO 61 2HG PRO 61 6.866 7.386 8.313 467 HD2 PRO 61 1HD PRO 61 4.796 8.463 9.686 468 HD3 PRO 61 2HD PRO 61 6.486 8.905 10.004 469 H GLN 62 H GLN 62 5.667 12.122 5.523 470 HA GLN 62 HA GLN 62 2.927 11.386 4.860 471 HB2 GLN 62 1HB GLN 62 4.642 13.613 3.750 472 HB3 GLN 62 2HB GLN 62 2.917 13.402 3.489 473 HG2 GLN 62 1HG GLN 62 4.328 14.130 6.035 474 HG3 GLN 62 2HG GLN 62 3.160 15.084 5.123 475 HE21 GLN 62 1HE2 GLN 62 3.458 13.572 7.892 476 HE22 GLN 62 2HE2 GLN 62 1.861 12.957 8.125 477 H ASP 63 H ASP 63 6.118 10.879 3.727 478 HA ASP 63 HA ASP 63 5.236 10.167 1.037 479 HB2 ASP 63 1HB ASP 63 7.516 10.095 0.426 480 HB3 ASP 63 2HB ASP 63 7.384 11.464 1.527 481 H GLN 64 H GLN 64 5.420 8.708 4.001 482 HA GLN 64 HA GLN 64 6.082 6.068 2.907 483 HB2 GLN 64 1HB GLN 64 5.807 7.021 5.761 484 HB3 GLN 64 2HB GLN 64 6.141 5.357 5.299 485 HG2 GLN 64 1HG GLN 64 7.929 7.500 4.277 486 HG3 GLN 64 2HG GLN 64 8.065 7.014 5.967 487 HE21 GLN 64 1HE2 GLN 64 7.981 5.698 2.686 488 HE22 GLN 64 2HE2 GLN 64 9.073 4.395 2.991 489 H ILE 65 H ILE 65 4.557 4.595 2.541 490 HA ILE 65 HA ILE 65 1.814 5.209 3.379 491 HB ILE 65 HB ILE 65 2.766 3.223 1.313 492 HG12 ILE 65 1HG1 ILE 65 1.512 5.954 0.953 493 HG13 ILE 65 2HG1 ILE 65 3.209 5.573 0.683 494 HG21 ILE 65 1HG2 ILE 65 0.712 2.397 1.893 495 HG22 ILE 65 2HG2 ILE 65 0.090 3.976 2.371 496 HG23 ILE 65 3HG2 ILE 65 0.239 3.567 0.662 497 HD11 ILE 65 1HD1 ILE 65 2.246 5.582 -1.440 498 HD12 ILE 65 2HD1 ILE 65 2.371 3.873 -1.021 499 HD13 ILE 65 3HD1 ILE 65 0.818 4.700 -0.896 500 H THR 66 H THR 66 0.881 4.092 4.954 501 HA THR 66 HA THR 66 2.243 1.811 6.107 502 HB THR 66 HB THR 66 0.040 1.956 7.610 503 HG1 THR 66 1HG THR 66 -0.792 3.664 6.191 504 HG21 THR 66 1HG2 THR 66 2.416 2.314 8.299 505 HG22 THR 66 2HG2 THR 66 1.261 3.350 9.138 506 HG23 THR 66 3HG2 THR 66 2.245 4.005 7.830 507 H ILE 67 H ILE 67 1.760 -0.254 5.743 508 HA ILE 67 HA ILE 67 -0.915 -0.963 4.781 509 HB ILE 67 HB ILE 67 1.628 -1.933 3.471 510 HG12 ILE 67 1HG1 ILE 67 -0.560 -0.142 2.393 511 HG13 ILE 67 2HG1 ILE 67 1.045 0.395 2.879 512 HG21 ILE 67 1HG2 ILE 67 0.417 -3.672 2.807 513 HG22 ILE 67 2HG2 ILE 67 -1.027 -3.014 3.572 514 HG23 ILE 67 3HG2 ILE 67 -0.620 -2.558 1.919 515 HD11 ILE 67 1HD1 ILE 67 1.019 0.217 0.514 516 HD12 ILE 67 2HD1 ILE 67 1.983 -1.124 1.134 517 HD13 ILE 67 3HD1 ILE 67 0.332 -1.406 0.583 518 H THR 68 H THR 68 -1.720 -2.605 5.902 519 HA THR 68 HA THR 68 0.145 -4.340 7.379 520 HB THR 68 HB THR 68 -2.775 -3.982 8.033 521 HG1 THR 68 1HG THR 68 -1.772 -1.943 8.202 522 HG21 THR 68 1HG2 THR 68 -0.378 -5.054 9.511 523 HG22 THR 68 2HG2 THR 68 -1.861 -5.905 9.079 524 HG23 THR 68 3HG2 THR 68 -1.893 -4.647 10.314 525 H GLY 69 H GLY 69 -0.427 -6.593 7.618 526 HA2 GLY 69 1HA GLY 69 -2.199 -8.264 6.845 527 HA3 GLY 69 2HA GLY 69 -1.883 -7.588 5.254 528 H TYR 70 H TYR 70 -1.552 -10.122 5.193 529 HA TYR 70 HA TYR 70 0.710 -11.353 6.182 530 HB2 TYR 70 1HB TYR 70 -0.684 -11.758 3.532 531 HB3 TYR 70 2HB TYR 70 0.558 -12.837 4.159 532 HD1 TYR 70 2HD TYR 70 0.015 -13.431 6.808 533 HD2 TYR 70 1HD TYR 70 -2.821 -12.571 3.754 534 HE1 TYR 70 2HE TYR 70 -1.695 -14.684 8.053 535 HE2 TYR 70 1HE TYR 70 -4.541 -13.821 4.993 536 HH TYR 70 HH TYR 70 -4.827 -15.382 6.677 537 H GLU 71 H GLU 71 2.799 -10.941 5.968 538 HA GLU 71 HA GLU 71 4.056 -8.960 4.706 539 HB2 GLU 71 1HB GLU 71 5.350 -10.404 6.072 540 HB3 GLU 71 2HB GLU 71 5.005 -11.798 5.057 541 HG2 GLU 71 1HG GLU 71 6.307 -10.725 3.238 542 HG3 GLU 71 2HG GLU 71 6.743 -9.443 4.365 543 H LYS 72 H LYS 72 3.038 -11.955 3.155 544 HA LYS 72 HA LYS 72 4.247 -11.360 0.634 545 HB2 LYS 72 1HB LYS 72 2.041 -13.308 1.331 546 HB3 LYS 72 2HB LYS 72 2.906 -13.257 -0.200 547 HG2 LYS 72 1HG LYS 72 3.907 -14.990 1.002 548 HG3 LYS 72 2HG LYS 72 5.020 -13.630 1.164 549 HD2 LYS 72 1HD LYS 72 4.420 -13.247 3.383 550 HD3 LYS 72 2HD LYS 72 2.901 -14.132 3.223 551 HE2 LYS 72 1HE LYS 72 5.687 -15.279 3.294 552 HE3 LYS 72 2HE LYS 72 4.431 -15.453 4.519 553 HZ1 LYS 72 1HZ LYS 72 3.939 -17.340 3.471 554 HZ2 LYS 72 2HZ LYS 72 4.835 -16.934 2.096 555 HZ3 LYS 72 3HZ LYS 72 3.245 -16.380 2.262 556 H ASN 73 H ASN 73 0.807 -11.572 1.574 557 HA ASN 73 HA ASN 73 -0.363 -10.543 -0.659 558 HB2 ASN 73 1HB ASN 73 -1.083 -10.255 2.247 559 HB3 ASN 73 2HB ASN 73 -2.084 -9.533 0.991 560 HD21 ASN 73 1HD2 ASN 73 -3.609 -11.067 2.109 561 HD22 ASN 73 2HD2 ASN 73 -3.720 -12.663 1.457 562 H THR 74 H THR 74 0.903 -8.655 2.075 563 HA THR 74 HA THR 74 0.238 -6.114 1.359 564 HB THR 74 HB THR 74 2.329 -5.341 2.438 565 HG1 THR 74 1HG THR 74 3.044 -7.993 3.002 566 HG21 THR 74 1HG2 THR 74 0.441 -7.256 3.629 567 HG22 THR 74 2HG2 THR 74 0.907 -5.641 4.163 568 HG23 THR 74 3HG2 THR 74 1.936 -7.025 4.535 569 H GLU 75 H GLU 75 3.380 -7.563 0.473 570 HA GLU 75 HA GLU 75 4.357 -5.702 -1.222 571 HB2 GLU 75 1HB GLU 75 4.407 -8.655 -1.856 572 HB3 GLU 75 2HB GLU 75 5.573 -7.442 -2.369 573 HG2 GLU 75 1HG GLU 75 5.810 -7.106 0.248 574 HG3 GLU 75 2HG GLU 75 5.247 -8.777 0.256 575 H ALA 76 H ALA 76 2.225 -8.359 -2.278 576 HA ALA 76 HA ALA 76 1.916 -7.783 -4.915 577 HB1 ALA 76 1HB ALA 76 -0.580 -8.398 -3.429 578 HB2 ALA 76 2HB ALA 76 0.075 -9.126 -4.896 579 HB3 ALA 76 3HB ALA 76 0.753 -9.547 -3.323 580 H ALA 77 H ALA 77 0.412 -6.105 -2.207 581 HA ALA 77 HA ALA 77 -1.161 -4.400 -3.936 582 HB1 ALA 77 1HB ALA 77 -1.537 -5.241 -1.403 583 HB2 ALA 77 2HB ALA 77 -0.835 -3.649 -1.108 584 HB3 ALA 77 3HB ALA 77 -2.295 -3.802 -2.084 585 H ARG 78 H ARG 78 1.520 -3.919 -1.634 586 HA ARG 78 HA ARG 78 1.951 -1.217 -2.083 587 HB2 ARG 78 1HB ARG 78 3.930 -1.464 -0.918 588 HB3 ARG 78 2HB ARG 78 3.050 -2.894 -0.398 589 HG2 ARG 78 1HG ARG 78 5.046 -3.851 -0.885 590 HG3 ARG 78 2HG ARG 78 4.290 -3.965 -2.474 591 HD2 ARG 78 1HD ARG 78 5.371 -1.557 -2.738 592 HD3 ARG 78 2HD ARG 78 6.480 -2.197 -1.526 593 HE ARG 78 HE ARG 78 6.038 -3.905 -3.819 594 HH11 ARG 78 1HH1 ARG 78 7.990 -1.409 -2.376 595 HH12 ARG 78 2HH1 ARG 78 9.375 -1.740 -3.364 596 HH21 ARG 78 1HH2 ARG 78 7.854 -4.350 -5.125 597 HH22 ARG 78 2HH2 ARG 78 9.296 -3.411 -4.928 598 H ASP 79 H ASP 79 2.588 -3.894 -4.135 599 HA ASP 79 HA ASP 79 4.645 -2.718 -5.716 600 HB2 ASP 79 1HB ASP 79 4.090 -5.188 -5.568 601 HB3 ASP 79 2HB ASP 79 2.704 -4.855 -6.603 602 H ALA 80 H ALA 80 1.184 -2.499 -5.675 603 HA ALA 80 HA ALA 80 0.855 -1.513 -8.329 604 HB1 ALA 80 1HB ALA 80 -1.312 -1.720 -7.873 605 HB2 ALA 80 2HB ALA 80 -0.836 -2.346 -6.294 606 HB3 ALA 80 3HB ALA 80 -1.196 -0.631 -6.491 607 H ILE 81 H ILE 81 0.803 0.098 -5.147 608 HA ILE 81 HA ILE 81 0.426 2.692 -5.854 609 HB ILE 81 HB ILE 81 2.442 1.720 -3.824 610 HG12 ILE 81 1HG1 ILE 81 -0.344 2.671 -3.225 611 HG13 ILE 81 2HG1 ILE 81 -0.061 1.001 -3.706 612 HG21 ILE 81 1HG2 ILE 81 1.138 4.219 -3.215 613 HG22 ILE 81 2HG2 ILE 81 2.857 3.836 -3.284 614 HG23 ILE 81 3HG2 ILE 81 2.001 4.310 -4.751 615 HD11 ILE 81 1HD1 ILE 81 0.175 0.659 -1.512 616 HD12 ILE 81 2HD1 ILE 81 1.797 1.310 -1.758 617 HD13 ILE 81 3HD1 ILE 81 0.504 2.359 -1.179 618 H LEU 82 H LEU 82 3.394 0.833 -6.210 619 HA LEU 82 HA LEU 82 4.941 3.094 -7.089 620 HB2 LEU 82 1HB LEU 82 5.604 0.173 -7.391 621 HB3 LEU 82 2HB LEU 82 6.722 1.535 -7.433 622 HG LEU 82 HG LEU 82 5.177 0.658 -4.994 623 HD11 LEU 82 1HD1 LEU 82 6.741 -1.066 -5.562 624 HD12 LEU 82 2HD1 LEU 82 7.390 -0.148 -4.204 625 HD13 LEU 82 3HD1 LEU 82 8.021 0.116 -5.829 626 HD21 LEU 82 1HD2 LEU 82 7.519 2.167 -4.435 627 HD22 LEU 82 2HD2 LEU 82 5.838 2.568 -4.085 628 HD23 LEU 82 3HD2 LEU 82 6.559 3.051 -5.621 629 H ARG 83 H ARG 83 3.588 0.196 -8.648 630 HA ARG 83 HA ARG 83 4.427 0.485 -11.214 631 HB2 ARG 83 1HB ARG 83 2.765 -1.215 -10.136 632 HB3 ARG 83 2HB ARG 83 1.530 -0.106 -10.719 633 HG2 ARG 83 1HG ARG 83 2.535 -0.336 -13.003 634 HG3 ARG 83 2HG ARG 83 3.551 -1.620 -12.348 635 HD2 ARG 83 1HD ARG 83 1.253 -2.574 -11.510 636 HD3 ARG 83 2HD ARG 83 0.606 -1.569 -12.806 637 HE ARG 83 HE ARG 83 2.534 -2.927 -14.074 638 HH11 ARG 83 1HH1 ARG 83 -0.006 -3.965 -11.932 639 HH12 ARG 83 2HH1 ARG 83 -0.165 -5.527 -12.664 640 HH21 ARG 83 1HH2 ARG 83 2.335 -4.981 -15.047 641 HH22 ARG 83 2HH2 ARG 83 1.169 -6.104 -14.436 642 H ILE 84 H ILE 84 2.025 2.421 -9.559 643 HA ILE 84 HA ILE 84 1.185 3.797 -11.952 644 HB ILE 84 HB ILE 84 0.658 4.617 -9.096 645 HG12 ILE 84 1HG1 ILE 84 -1.285 3.033 -10.737 646 HG13 ILE 84 2HG1 ILE 84 0.002 2.193 -9.876 647 HG21 ILE 84 1HG2 ILE 84 -0.115 5.634 -11.690 648 HG22 ILE 84 2HG2 ILE 84 -1.518 5.228 -10.705 649 HG23 ILE 84 3HG2 ILE 84 -0.308 6.355 -10.093 650 HD11 ILE 84 1HD1 ILE 84 -1.083 2.356 -7.955 651 HD12 ILE 84 2HD1 ILE 84 -1.343 4.088 -8.168 652 HD13 ILE 84 3HD1 ILE 84 -2.470 2.933 -8.877 653 H VAL 85 H VAL 85 2.746 4.907 -8.937 654 HA VAL 85 HA VAL 85 3.417 7.431 -9.442 655 HB VAL 85 HB VAL 85 5.335 5.347 -8.392 656 HG11 VAL 85 1HG1 VAL 85 6.891 6.936 -8.468 657 HG12 VAL 85 2HG1 VAL 85 5.718 8.157 -8.961 658 HG13 VAL 85 3HG1 VAL 85 5.956 7.801 -7.250 659 HG21 VAL 85 1HG2 VAL 85 3.047 5.852 -7.265 660 HG22 VAL 85 2HG2 VAL 85 4.504 5.771 -6.275 661 HG23 VAL 85 3HG2 VAL 85 3.838 7.338 -6.738 662 H GLY 86 H GLY 86 4.876 4.652 -11.032 663 HA2 GLY 86 1HA GLY 86 6.975 6.031 -12.332 664 HA3 GLY 86 2HA GLY 86 6.299 4.486 -12.826 665 H GLU 87 H GLU 87 3.749 5.077 -13.504 666 HA GLU 87 HA GLU 87 4.075 6.310 -16.042 667 HB2 GLU 87 1HB GLU 87 1.768 5.812 -16.411 668 HB3 GLU 87 2HB GLU 87 2.461 4.464 -15.522 669 HG2 GLU 87 1HG GLU 87 1.404 5.102 -13.522 670 HG3 GLU 87 2HG GLU 87 0.989 6.692 -14.158 671 H LEU 88 H LEU 88 2.679 7.348 -12.981 672 HA LEU 88 HA LEU 88 1.419 9.687 -13.837 673 HB2 LEU 88 1HB LEU 88 2.807 9.264 -11.198 674 HB3 LEU 88 2HB LEU 88 1.519 10.417 -11.543 675 HG LEU 88 HG LEU 88 1.275 7.412 -11.453 676 HD11 LEU 88 1HD1 LEU 88 -0.535 8.572 -9.717 677 HD12 LEU 88 2HD1 LEU 88 0.928 9.532 -9.505 678 HD13 LEU 88 3HD1 LEU 88 0.981 7.784 -9.279 679 HD21 LEU 88 1HD2 LEU 88 -1.111 7.782 -11.841 680 HD22 LEU 88 2HD2 LEU 88 -0.142 8.335 -13.208 681 HD23 LEU 88 3HD2 LEU 88 -0.809 9.505 -12.068 682 H GLU 89 H GLU 89 4.744 9.175 -12.701 683 HA GLU 89 HA GLU 89 5.692 11.742 -12.650 684 HB2 GLU 89 1HB GLU 89 6.931 9.112 -13.300 685 HB3 GLU 89 2HB GLU 89 7.862 10.563 -13.644 686 HG2 GLU 89 1HG GLU 89 7.241 11.197 -11.192 687 HG3 GLU 89 2HG GLU 89 6.966 9.464 -11.025 688 H GLN 90 H GLN 90 5.653 9.601 -15.498 689 HA GLN 90 HA GLN 90 6.643 11.515 -17.310 690 HB2 GLN 90 1HB GLN 90 4.999 9.019 -17.719 691 HB3 GLN 90 2HB GLN 90 5.607 9.992 -19.052 692 HG2 GLN 90 1HG GLN 90 7.536 9.068 -16.994 693 HG3 GLN 90 2HG GLN 90 6.915 7.894 -18.153 694 HE21 GLN 90 1HE2 GLN 90 7.150 8.434 -20.439 695 HE22 GLN 90 2HE2 GLN 90 8.538 9.330 -20.945 696 H MET 91 H MET 91 3.369 10.671 -16.309 697 HA MET 91 HA MET 91 2.160 12.494 -18.197 698 HB2 MET 91 1HB MET 91 1.134 10.654 -16.067 699 HB3 MET 91 2HB MET 91 0.081 11.902 -16.720 700 HG2 MET 91 1HG MET 91 1.440 9.717 -18.281 701 HG3 MET 91 2HG MET 91 -0.270 9.800 -17.861 702 HE1 MET 91 1HE MET 91 -1.180 10.456 -21.287 703 HE2 MET 91 2HE MET 91 -1.229 9.484 -19.816 704 HE3 MET 91 3HE MET 91 -2.066 11.036 -19.877 705 H SER 92 H SER 92 3.033 14.506 -17.644 706 HA SER 92 HA SER 92 1.604 15.923 -15.623 707 HB2 SER 92 1HB SER 92 3.494 14.724 -14.361 708 HB3 SER 92 2HB SER 92 4.587 15.832 -15.190 709 HG SER 92 HG SER 92 2.565 16.406 -13.310 710 H GLY 93 H GLY 93 1.701 18.142 -15.905 711 HA2 GLY 93 1HA GLY 93 2.844 20.107 -16.765 712 HA3 GLY 93 2HA GLY 93 3.480 19.100 -18.057 713 HA PRO 94 HA PRO 94 -0.557 21.333 -19.239 714 HB2 PRO 94 1HB PRO 94 0.508 23.264 -20.821 715 HB3 PRO 94 2HB PRO 94 0.221 23.490 -19.092 716 HG2 PRO 94 1HG PRO 94 2.764 22.809 -20.516 717 HG3 PRO 94 2HG PRO 94 2.497 23.954 -19.188 718 HD2 PRO 94 1HD PRO 94 3.515 21.476 -18.793 719 HD3 PRO 94 2HD PRO 94 2.498 22.294 -17.589 720 H SER 95 H SER 95 -1.226 19.722 -20.577 721 HA SER 95 HA SER 95 0.251 18.684 -22.741 722 HB2 SER 95 1HB SER 95 -1.810 17.700 -21.479 723 HB3 SER 95 2HB SER 95 -2.750 18.601 -22.667 724 HG SER 95 HG SER 95 -2.201 16.375 -23.238 725 H SER 96 H SER 96 0.944 20.088 -24.261 726 HA SER 96 HA SER 96 -1.115 21.652 -25.674 727 HB2 SER 96 1HB SER 96 1.729 22.401 -24.992 728 HB3 SER 96 2HB SER 96 0.808 23.236 -26.243 729 HG SER 96 HG SER 96 -0.199 24.284 -24.736 730 H GLY 97 H GLY 97 -0.689 22.036 -27.956 731 HA2 GLY 97 1HA GLY 97 1.335 20.450 -29.272 732 HA3 GLY 97 2HA GLY 97 -0.297 19.835 -29.482 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.920 -42.365 24.521 2 HA2 GLY 1 1HA GLY 1 4.435 -41.170 25.373 3 HA3 GLY 1 2HA GLY 1 4.301 -41.539 23.660 4 H SER 2 H SER 2 4.109 -39.614 22.693 5 HA SER 2 HA SER 2 1.767 -38.002 23.338 6 HB2 SER 2 1HB SER 2 3.102 -35.905 23.321 7 HB3 SER 2 2HB SER 2 3.512 -36.957 24.674 8 HG SER 2 HG SER 2 5.399 -36.211 23.711 9 H SER 3 H SER 3 0.747 -37.425 21.538 10 HA SER 3 HA SER 3 2.271 -36.977 19.082 11 HB2 SER 3 1HB SER 3 0.569 -38.347 17.810 12 HB3 SER 3 2HB SER 3 1.657 -39.281 18.837 13 HG SER 3 HG SER 3 -0.243 -38.849 20.428 14 H GLY 4 H GLY 4 0.977 -35.916 17.390 15 HA2 GLY 4 1HA GLY 4 -1.537 -34.717 18.200 16 HA3 GLY 4 2HA GLY 4 -0.189 -33.595 18.078 17 H SER 5 H SER 5 0.152 -32.667 16.170 18 HA SER 5 HA SER 5 -0.276 -34.029 13.689 19 HB2 SER 5 1HB SER 5 -2.077 -32.704 12.818 20 HB3 SER 5 2HB SER 5 -2.609 -33.350 14.371 21 HG SER 5 HG SER 5 -3.057 -31.090 14.083 22 H SER 6 H SER 6 0.323 -32.709 11.832 23 HA SER 6 HA SER 6 2.331 -30.720 12.588 24 HB2 SER 6 1HB SER 6 3.221 -31.043 10.320 25 HB3 SER 6 2HB SER 6 3.060 -32.586 11.157 26 HG SER 6 HG SER 6 1.245 -33.033 9.961 27 H GLY 7 H GLY 7 2.319 -28.630 11.873 28 HA2 GLY 7 1HA GLY 7 0.879 -27.532 9.785 29 HA3 GLY 7 2HA GLY 7 -0.201 -27.501 11.171 30 H GLU 8 H GLU 8 0.174 -25.118 10.353 31 HA GLU 8 HA GLU 8 2.295 -23.983 12.054 32 HB2 GLU 8 1HB GLU 8 2.574 -22.168 10.465 33 HB3 GLU 8 2HB GLU 8 2.829 -23.711 9.661 34 HG2 GLU 8 1HG GLU 8 0.323 -23.493 9.020 35 HG3 GLU 8 2HG GLU 8 0.566 -21.787 9.386 36 H GLN 9 H GLN 9 1.680 -22.486 13.498 37 HA GLN 9 HA GLN 9 -1.014 -21.330 13.239 38 HB2 GLN 9 1HB GLN 9 -0.667 -23.245 14.982 39 HB3 GLN 9 2HB GLN 9 0.135 -21.998 15.926 40 HG2 GLN 9 1HG GLN 9 -2.576 -21.461 14.820 41 HG3 GLN 9 2HG GLN 9 -2.409 -22.491 16.240 42 HE21 GLN 9 1HE2 GLN 9 -3.379 -19.630 15.612 43 HE22 GLN 9 2HE2 GLN 9 -2.665 -18.692 16.874 44 H GLU 10 H GLU 10 1.540 -20.200 12.495 45 HA GLU 10 HA GLU 10 1.875 -18.095 14.518 46 HB2 GLU 10 1HB GLU 10 4.000 -17.585 13.373 47 HB3 GLU 10 2HB GLU 10 3.936 -19.244 13.950 48 HG2 GLU 10 1HG GLU 10 3.094 -18.702 11.156 49 HG3 GLU 10 2HG GLU 10 4.812 -18.639 11.541 50 H ASP 11 H ASP 11 -0.415 -17.926 13.011 51 HA ASP 11 HA ASP 11 0.034 -16.162 10.764 52 HB2 ASP 11 1HB ASP 11 -2.409 -16.125 10.573 53 HB3 ASP 11 2HB ASP 11 -1.815 -17.779 10.711 54 H ARG 12 H ARG 12 -1.502 -15.898 13.964 55 HA ARG 12 HA ARG 12 -2.360 -13.359 14.062 56 HB2 ARG 12 1HB ARG 12 -1.694 -13.274 16.439 57 HB3 ARG 12 2HB ARG 12 -2.437 -14.807 16.005 58 HG2 ARG 12 1HG ARG 12 -0.368 -15.936 16.046 59 HG3 ARG 12 2HG ARG 12 0.539 -14.421 16.094 60 HD2 ARG 12 1HD ARG 12 0.625 -15.150 18.296 61 HD3 ARG 12 2HD ARG 12 -0.716 -14.007 18.310 62 HE ARG 12 HE ARG 12 -1.651 -16.630 17.803 63 HH11 ARG 12 1HH1 ARG 12 -0.441 -14.589 20.350 64 HH12 ARG 12 2HH1 ARG 12 -1.281 -15.437 21.606 65 HH21 ARG 12 1HH2 ARG 12 -2.763 -17.754 19.447 66 HH22 ARG 12 2HH2 ARG 12 -2.602 -17.237 21.091 67 H ALA 13 H ALA 13 0.996 -14.352 13.953 68 HA ALA 13 HA ALA 13 2.029 -11.709 14.442 69 HB1 ALA 13 1HB ALA 13 3.543 -13.277 15.146 70 HB2 ALA 13 2HB ALA 13 3.211 -14.366 13.799 71 HB3 ALA 13 3HB ALA 13 4.180 -12.915 13.542 72 H LEU 14 H LEU 14 1.726 -13.840 11.614 73 HA LEU 14 HA LEU 14 2.944 -12.231 9.717 74 HB2 LEU 14 1HB LEU 14 0.582 -14.076 9.411 75 HB3 LEU 14 2HB LEU 14 1.487 -13.385 8.067 76 HG LEU 14 HG LEU 14 2.686 -15.204 10.152 77 HD11 LEU 14 1HD1 LEU 14 0.819 -16.067 8.480 78 HD12 LEU 14 2HD1 LEU 14 2.243 -17.031 8.873 79 HD13 LEU 14 3HD1 LEU 14 2.190 -16.108 7.371 80 HD21 LEU 14 1HD2 LEU 14 4.181 -13.610 8.899 81 HD22 LEU 14 2HD2 LEU 14 3.728 -14.468 7.426 82 HD23 LEU 14 3HD2 LEU 14 4.571 -15.320 8.721 83 H ARG 15 H ARG 15 -0.508 -12.337 10.591 84 HA ARG 15 HA ARG 15 -1.356 -10.298 8.874 85 HB2 ARG 15 1HB ARG 15 -3.308 -10.102 10.406 86 HB3 ARG 15 2HB ARG 15 -2.961 -11.756 9.921 87 HG2 ARG 15 1HG ARG 15 -2.036 -12.280 12.034 88 HG3 ARG 15 2HG ARG 15 -2.006 -10.583 12.516 89 HD2 ARG 15 1HD ARG 15 -3.891 -11.268 13.609 90 HD3 ARG 15 2HD ARG 15 -4.597 -10.767 12.073 91 HE ARG 15 HE ARG 15 -4.401 -13.453 13.107 92 HH11 ARG 15 1HH1 ARG 15 -4.831 -11.464 10.282 93 HH12 ARG 15 2HH1 ARG 15 -5.619 -12.706 9.366 94 HH21 ARG 15 1HH2 ARG 15 -5.438 -15.097 11.912 95 HH22 ARG 15 2HH2 ARG 15 -5.965 -14.772 10.295 96 H SER 16 H SER 16 0.602 -10.132 11.625 97 HA SER 16 HA SER 16 -0.058 -7.320 12.128 98 HB2 SER 16 1HB SER 16 0.226 -9.129 13.987 99 HB3 SER 16 2HB SER 16 1.952 -8.886 13.718 100 HG SER 16 HG SER 16 1.823 -6.911 14.530 101 H PHE 17 H PHE 17 1.239 -7.987 9.701 102 HA PHE 17 HA PHE 17 4.003 -7.103 10.112 103 HB2 PHE 17 1HB PHE 17 4.126 -8.920 8.694 104 HB3 PHE 17 2HB PHE 17 2.581 -8.561 7.930 105 HD1 PHE 17 2HD PHE 17 2.452 -6.661 6.292 106 HD2 PHE 17 1HD PHE 17 6.145 -8.190 7.756 107 HE1 PHE 17 2HE PHE 17 3.630 -5.618 4.400 108 HE2 PHE 17 1HE PHE 17 7.329 -7.149 5.867 109 HZ PHE 17 HZ PHE 17 6.072 -5.861 4.185 110 H LYS 18 H LYS 18 4.538 -5.055 9.788 111 HA LYS 18 HA LYS 18 2.691 -3.344 8.267 112 HB2 LYS 18 1HB LYS 18 3.146 -2.795 10.683 113 HB3 LYS 18 2HB LYS 18 4.812 -2.464 10.227 114 HG2 LYS 18 1HG LYS 18 4.251 -0.560 9.048 115 HG3 LYS 18 2HG LYS 18 2.576 -1.068 8.823 116 HD2 LYS 18 1HD LYS 18 3.659 -0.495 11.560 117 HD3 LYS 18 2HD LYS 18 3.090 0.812 10.519 118 HE2 LYS 18 1HE LYS 18 0.946 -0.537 10.272 119 HE3 LYS 18 2HE LYS 18 1.535 -1.518 11.613 120 HZ1 LYS 18 1HZ LYS 18 0.322 0.036 12.728 121 HZ2 LYS 18 2HZ LYS 18 0.621 1.265 11.606 122 HZ3 LYS 18 3HZ LYS 18 1.819 0.824 12.715 123 H LEU 19 H LEU 19 3.317 -2.640 6.340 124 HA LEU 19 HA LEU 19 6.180 -2.747 5.672 125 HB2 LEU 19 1HB LEU 19 5.016 -4.160 4.210 126 HB3 LEU 19 2HB LEU 19 3.691 -3.014 4.022 127 HG LEU 19 HG LEU 19 5.447 -1.524 2.850 128 HD11 LEU 19 1HD1 LEU 19 7.055 -3.752 3.512 129 HD12 LEU 19 2HD1 LEU 19 7.500 -2.314 2.594 130 HD13 LEU 19 3HD1 LEU 19 6.869 -3.733 1.758 131 HD21 LEU 19 1HD2 LEU 19 3.546 -3.256 1.953 132 HD22 LEU 19 2HD2 LEU 19 4.984 -3.838 1.115 133 HD23 LEU 19 3HD2 LEU 19 4.476 -2.158 0.933 134 H SER 20 H SER 20 7.188 -1.009 4.689 135 HA SER 20 HA SER 20 5.662 1.514 4.704 136 HB2 SER 20 1HB SER 20 7.417 2.641 5.690 137 HB3 SER 20 2HB SER 20 7.619 1.053 6.429 138 HG SER 20 HG SER 20 9.191 2.359 4.560 139 H VAL 21 H VAL 21 5.331 2.225 2.712 140 HA VAL 21 HA VAL 21 7.284 1.584 0.616 141 HB VAL 21 HB VAL 21 4.495 2.684 0.261 142 HG11 VAL 21 1HG1 VAL 21 5.929 1.143 -1.830 143 HG12 VAL 21 2HG1 VAL 21 4.785 2.476 -1.989 144 HG13 VAL 21 3HG1 VAL 21 6.456 2.798 -1.527 145 HG21 VAL 21 1HG2 VAL 21 4.645 0.408 1.374 146 HG22 VAL 21 2HG2 VAL 21 3.700 0.495 -0.113 147 HG23 VAL 21 3HG2 VAL 21 5.330 -0.176 -0.143 148 H THR 22 H THR 22 8.462 3.119 -0.361 149 HA THR 22 HA THR 22 8.232 5.849 0.625 150 HB THR 22 HB THR 22 10.327 4.728 -1.241 151 HG1 THR 22 1HG THR 22 10.184 3.675 0.881 152 HG21 THR 22 1HG2 THR 22 11.173 6.789 -1.260 153 HG22 THR 22 2HG2 THR 22 11.210 6.822 0.503 154 HG23 THR 22 3HG2 THR 22 9.765 7.348 -0.359 155 H VAL 23 H VAL 23 6.781 7.068 -0.415 156 HA VAL 23 HA VAL 23 7.087 7.444 -3.281 157 HB VAL 23 HB VAL 23 4.415 6.687 -2.089 158 HG11 VAL 23 1HG1 VAL 23 3.947 6.650 -4.696 159 HG12 VAL 23 2HG1 VAL 23 3.776 8.124 -3.741 160 HG13 VAL 23 3HG1 VAL 23 5.236 7.854 -4.695 161 HG21 VAL 23 1HG2 VAL 23 4.545 4.685 -3.404 162 HG22 VAL 23 2HG2 VAL 23 6.060 5.208 -4.139 163 HG23 VAL 23 3HG2 VAL 23 6.008 4.798 -2.425 164 H ASP 24 H ASP 24 6.869 9.526 -3.813 165 HA ASP 24 HA ASP 24 6.746 11.592 -2.046 166 HB2 ASP 24 1HB ASP 24 7.248 11.663 -4.552 167 HB3 ASP 24 2HB ASP 24 5.508 11.810 -4.786 168 HA PRO 25 HA PRO 25 2.626 11.743 -0.490 169 HB2 PRO 25 1HB PRO 25 2.635 14.300 0.419 170 HB3 PRO 25 2HB PRO 25 3.492 12.987 1.236 171 HG2 PRO 25 1HG PRO 25 4.557 15.072 -0.628 172 HG3 PRO 25 2HG PRO 25 5.252 14.463 0.884 173 HD2 PRO 25 1HD PRO 25 6.104 13.634 -1.549 174 HD3 PRO 25 2HD PRO 25 6.110 12.576 -0.123 175 H LYS 26 H LYS 26 3.664 13.273 -3.240 176 HA LYS 26 HA LYS 26 1.361 14.970 -3.661 177 HB2 LYS 26 1HB LYS 26 2.368 15.573 -5.729 178 HB3 LYS 26 2HB LYS 26 3.672 15.458 -4.555 179 HG2 LYS 26 1HG LYS 26 4.281 13.269 -5.409 180 HG3 LYS 26 2HG LYS 26 2.939 13.329 -6.554 181 HD2 LYS 26 1HD LYS 26 3.983 14.845 -7.909 182 HD3 LYS 26 2HD LYS 26 4.887 15.574 -6.579 183 HE2 LYS 26 1HE LYS 26 6.516 13.920 -6.617 184 HE3 LYS 26 2HE LYS 26 5.472 12.771 -7.451 185 HZ1 LYS 26 1HZ LYS 26 5.616 14.658 -9.289 186 HZ2 LYS 26 2HZ LYS 26 6.745 13.403 -9.189 187 HZ3 LYS 26 3HZ LYS 26 7.110 14.922 -8.539 188 H TYR 27 H TYR 27 2.367 11.734 -4.441 189 HA TYR 27 HA TYR 27 0.171 11.375 -6.328 190 HB2 TYR 27 1HB TYR 27 2.337 9.468 -5.424 191 HB3 TYR 27 2HB TYR 27 1.131 9.116 -6.656 192 HD1 TYR 27 2HD TYR 27 1.122 11.796 -8.040 193 HD2 TYR 27 1HD TYR 27 4.320 9.334 -6.692 194 HE1 TYR 27 2HE TYR 27 2.588 12.770 -9.758 195 HE2 TYR 27 1HE TYR 27 5.795 10.302 -8.406 196 HH TYR 27 HH TYR 27 4.847 13.050 -10.306 197 H HIS 28 H HIS 28 0.894 10.885 -3.024 198 HA HIS 28 HA HIS 28 -0.487 8.667 -2.250 199 HB2 HIS 28 1HB HIS 28 0.042 11.300 -1.000 200 HB3 HIS 28 2HB HIS 28 -1.232 10.334 -0.263 201 HD2 HIS 28 2HD HIS 28 1.650 8.193 -1.594 202 HE1 HIS 28 1HE HIS 28 2.279 8.686 2.572 203 HE2 HIS 28 2HE HIS 28 3.045 7.518 0.476 204 HA PRO 29 HA PRO 29 -4.674 11.069 -2.160 205 HB2 PRO 29 1HB PRO 29 -4.725 13.539 -3.284 206 HB3 PRO 29 2HB PRO 29 -4.338 13.266 -1.580 207 HG2 PRO 29 1HG PRO 29 -2.492 13.730 -3.891 208 HG3 PRO 29 2HG PRO 29 -2.426 14.406 -2.253 209 HD2 PRO 29 1HD PRO 29 -0.875 12.329 -3.037 210 HD3 PRO 29 2HD PRO 29 -1.466 12.503 -1.372 211 H LYS 30 H LYS 30 -2.550 10.741 -4.752 212 HA LYS 30 HA LYS 30 -4.606 11.056 -6.800 213 HB2 LYS 30 1HB LYS 30 -1.638 10.546 -6.902 214 HB3 LYS 30 2HB LYS 30 -2.654 10.411 -8.332 215 HG2 LYS 30 1HG LYS 30 -2.752 12.905 -6.704 216 HG3 LYS 30 2HG LYS 30 -1.397 12.632 -7.802 217 HD2 LYS 30 1HD LYS 30 -3.167 12.151 -9.581 218 HD3 LYS 30 2HD LYS 30 -4.322 12.866 -8.454 219 HE2 LYS 30 1HE LYS 30 -3.299 14.966 -8.561 220 HE3 LYS 30 2HE LYS 30 -1.810 14.306 -9.234 221 HZ1 LYS 30 1HZ LYS 30 -2.836 15.290 -11.041 222 HZ2 LYS 30 2HZ LYS 30 -4.386 14.792 -10.583 223 HZ3 LYS 30 3HZ LYS 30 -3.287 13.668 -11.209 224 H ILE 31 H ILE 31 -2.836 8.581 -5.097 225 HA ILE 31 HA ILE 31 -3.556 6.439 -6.854 226 HB ILE 31 HB ILE 31 -2.633 6.294 -3.981 227 HG12 ILE 31 1HG1 ILE 31 -0.860 5.772 -6.334 228 HG13 ILE 31 2HG1 ILE 31 -1.173 7.438 -5.862 229 HG21 ILE 31 1HG2 ILE 31 -1.780 4.014 -4.982 230 HG22 ILE 31 2HG2 ILE 31 -3.425 4.183 -4.370 231 HG23 ILE 31 3HG2 ILE 31 -3.117 4.266 -6.105 232 HD11 ILE 31 1HD1 ILE 31 0.012 7.257 -3.933 233 HD12 ILE 31 2HD1 ILE 31 -0.331 5.536 -3.751 234 HD13 ILE 31 3HD1 ILE 31 0.875 6.076 -4.918 235 H ILE 32 H ILE 32 -4.873 7.805 -3.888 236 HA ILE 32 HA ILE 32 -6.662 5.875 -3.107 237 HB ILE 32 HB ILE 32 -7.075 8.866 -3.116 238 HG12 ILE 32 1HG1 ILE 32 -6.290 7.085 -0.811 239 HG13 ILE 32 2HG1 ILE 32 -5.099 7.851 -1.857 240 HG21 ILE 32 1HG2 ILE 32 -8.702 8.358 -1.266 241 HG22 ILE 32 2HG2 ILE 32 -9.223 7.889 -2.883 242 HG23 ILE 32 3HG2 ILE 32 -8.620 6.668 -1.762 243 HD11 ILE 32 1HD1 ILE 32 -6.720 9.944 -1.146 244 HD12 ILE 32 2HD1 ILE 32 -6.666 8.964 0.319 245 HD13 ILE 32 3HD1 ILE 32 -5.168 9.538 -0.413 246 H GLY 33 H GLY 33 -7.123 8.352 -5.611 247 HA2 GLY 33 1HA GLY 33 -8.314 7.745 -7.636 248 HA3 GLY 33 2HA GLY 33 -9.354 6.726 -6.651 249 H ARG 34 H ARG 34 -10.463 8.505 -8.405 250 HA ARG 34 HA ARG 34 -11.025 11.063 -7.704 251 HB2 ARG 34 1HB ARG 34 -12.918 8.954 -8.745 252 HB3 ARG 34 2HB ARG 34 -13.344 10.656 -8.629 253 HG2 ARG 34 1HG ARG 34 -10.961 9.677 -10.174 254 HG3 ARG 34 2HG ARG 34 -12.567 9.850 -10.885 255 HD2 ARG 34 1HD ARG 34 -12.582 12.197 -10.467 256 HD3 ARG 34 2HD ARG 34 -11.121 12.089 -9.485 257 HE ARG 34 HE ARG 34 -10.636 11.157 -12.118 258 HH11 ARG 34 1HH1 ARG 34 -11.107 14.069 -10.271 259 HH12 ARG 34 2HH1 ARG 34 -10.180 15.060 -11.348 260 HH21 ARG 34 1HH2 ARG 34 -9.412 12.450 -13.545 261 HH22 ARG 34 2HH2 ARG 34 -9.217 14.136 -13.211 262 H LYS 35 H LYS 35 -13.008 8.304 -6.607 263 HA LYS 35 HA LYS 35 -13.929 9.947 -4.356 264 HB2 LYS 35 1HB LYS 35 -15.759 8.379 -4.140 265 HB3 LYS 35 2HB LYS 35 -15.647 8.916 -5.811 266 HG2 LYS 35 1HG LYS 35 -14.300 6.789 -6.221 267 HG3 LYS 35 2HG LYS 35 -14.891 6.259 -4.644 268 HD2 LYS 35 1HD LYS 35 -16.745 7.223 -6.806 269 HD3 LYS 35 2HD LYS 35 -16.228 5.539 -6.696 270 HE2 LYS 35 1HE LYS 35 -17.197 5.319 -4.517 271 HE3 LYS 35 2HE LYS 35 -17.536 7.046 -4.438 272 HZ1 LYS 35 1HZ LYS 35 -19.447 5.505 -5.024 273 HZ2 LYS 35 2HZ LYS 35 -18.713 5.331 -6.538 274 HZ3 LYS 35 3HZ LYS 35 -19.224 6.857 -6.017 275 H GLY 36 H GLY 36 -12.312 6.929 -5.148 276 HA2 GLY 36 1HA GLY 36 -10.538 6.407 -3.422 277 HA3 GLY 36 2HA GLY 36 -11.859 6.479 -2.265 278 H ALA 37 H ALA 37 -12.141 5.089 -5.473 279 HA ALA 37 HA ALA 37 -12.856 2.536 -4.257 280 HB1 ALA 37 1HB ALA 37 -13.199 3.664 -7.021 281 HB2 ALA 37 2HB ALA 37 -13.523 1.973 -6.643 282 HB3 ALA 37 3HB ALA 37 -14.443 3.247 -5.842 283 H VAL 38 H VAL 38 -10.611 3.832 -6.682 284 HA VAL 38 HA VAL 38 -9.376 1.567 -7.577 285 HB VAL 38 HB VAL 38 -7.958 4.131 -6.840 286 HG11 VAL 38 1HG1 VAL 38 -6.195 3.483 -8.200 287 HG12 VAL 38 2HG1 VAL 38 -6.629 1.977 -7.389 288 HG13 VAL 38 3HG1 VAL 38 -7.160 2.272 -9.044 289 HG21 VAL 38 1HG2 VAL 38 -10.036 3.757 -8.651 290 HG22 VAL 38 2HG2 VAL 38 -8.931 5.130 -8.576 291 HG23 VAL 38 3HG2 VAL 38 -8.575 3.768 -9.639 292 H ILE 39 H ILE 39 -8.639 3.325 -4.580 293 HA ILE 39 HA ILE 39 -6.543 1.581 -3.775 294 HB ILE 39 HB ILE 39 -6.745 3.879 -2.915 295 HG12 ILE 39 1HG1 ILE 39 -6.376 3.310 -0.483 296 HG13 ILE 39 2HG1 ILE 39 -6.840 1.656 -0.869 297 HG21 ILE 39 1HG2 ILE 39 -9.034 4.250 -2.649 298 HG22 ILE 39 2HG2 ILE 39 -9.255 2.786 -1.693 299 HG23 ILE 39 3HG2 ILE 39 -8.422 4.175 -0.997 300 HD11 ILE 39 1HD1 ILE 39 -4.728 2.799 -2.559 301 HD12 ILE 39 2HD1 ILE 39 -4.307 2.553 -0.864 302 HD13 ILE 39 3HD1 ILE 39 -4.872 1.196 -1.839 303 H THR 40 H THR 40 -10.009 1.618 -3.294 304 HA THR 40 HA THR 40 -10.083 -0.311 -1.207 305 HB THR 40 HB THR 40 -12.287 0.295 -3.185 306 HG1 THR 40 1HG THR 40 -12.341 2.197 -2.278 307 HG21 THR 40 1HG2 THR 40 -12.072 -1.384 -0.840 308 HG22 THR 40 2HG2 THR 40 -13.385 -1.254 -2.009 309 HG23 THR 40 3HG2 THR 40 -13.317 -0.153 -0.633 310 H GLN 41 H GLN 41 -10.361 -0.507 -4.729 311 HA GLN 41 HA GLN 41 -11.032 -3.226 -4.901 312 HB2 GLN 41 1HB GLN 41 -11.207 -1.620 -6.778 313 HB3 GLN 41 2HB GLN 41 -9.452 -1.574 -6.880 314 HG2 GLN 41 1HG GLN 41 -10.237 -3.026 -8.581 315 HG3 GLN 41 2HG GLN 41 -9.486 -4.022 -7.336 316 HE21 GLN 41 1HE2 GLN 41 -10.547 -5.873 -7.293 317 HE22 GLN 41 2HE2 GLN 41 -12.264 -6.055 -7.233 318 H ILE 42 H ILE 42 -7.882 -1.601 -4.897 319 HA ILE 42 HA ILE 42 -6.330 -3.926 -5.298 320 HB ILE 42 HB ILE 42 -5.565 -1.332 -3.955 321 HG12 ILE 42 1HG1 ILE 42 -4.736 -2.110 -6.718 322 HG13 ILE 42 2HG1 ILE 42 -6.371 -1.505 -6.470 323 HG21 ILE 42 1HG2 ILE 42 -4.157 -3.794 -4.158 324 HG22 ILE 42 2HG2 ILE 42 -3.358 -2.604 -5.184 325 HG23 ILE 42 3HG2 ILE 42 -3.611 -2.264 -3.473 326 HD11 ILE 42 1HD1 ILE 42 -5.574 0.576 -5.688 327 HD12 ILE 42 2HD1 ILE 42 -3.921 -0.026 -5.561 328 HD13 ILE 42 3HD1 ILE 42 -4.659 0.197 -7.147 329 H ARG 43 H ARG 43 -7.412 -2.250 -2.375 330 HA ARG 43 HA ARG 43 -5.975 -3.762 -0.505 331 HB2 ARG 43 1HB ARG 43 -8.573 -2.250 -0.328 332 HB3 ARG 43 2HB ARG 43 -7.887 -3.082 1.060 333 HG2 ARG 43 1HG ARG 43 -6.011 -1.674 1.116 334 HG3 ARG 43 2HG ARG 43 -6.331 -1.051 -0.504 335 HD2 ARG 43 1HD ARG 43 -6.964 0.628 1.077 336 HD3 ARG 43 2HD ARG 43 -8.434 -0.045 0.374 337 HE ARG 43 HE ARG 43 -7.597 -1.251 2.865 338 HH11 ARG 43 1HH1 ARG 43 -9.537 1.191 1.318 339 HH12 ARG 43 2HH1 ARG 43 -10.625 1.359 2.656 340 HH21 ARG 43 1HH2 ARG 43 -9.022 -1.039 4.632 341 HH22 ARG 43 2HH2 ARG 43 -10.330 0.091 4.541 342 H LEU 44 H LEU 44 -9.331 -4.164 -1.636 343 HA LEU 44 HA LEU 44 -9.825 -6.537 -0.193 344 HB2 LEU 44 1HB LEU 44 -11.099 -5.302 -2.615 345 HB3 LEU 44 2HB LEU 44 -11.657 -6.836 -1.950 346 HG LEU 44 HG LEU 44 -11.569 -4.274 -0.366 347 HD11 LEU 44 1HD1 LEU 44 -14.103 -4.402 -0.730 348 HD12 LEU 44 2HD1 LEU 44 -13.718 -5.431 -2.109 349 HD13 LEU 44 3HD1 LEU 44 -13.110 -3.776 -2.045 350 HD21 LEU 44 1HD2 LEU 44 -13.293 -6.661 0.165 351 HD22 LEU 44 2HD2 LEU 44 -12.746 -5.404 1.275 352 HD23 LEU 44 3HD2 LEU 44 -11.615 -6.634 0.708 353 H GLU 45 H GLU 45 -8.616 -5.939 -3.456 354 HA GLU 45 HA GLU 45 -8.719 -8.456 -4.551 355 HB2 GLU 45 1HB GLU 45 -7.898 -6.358 -5.666 356 HB3 GLU 45 2HB GLU 45 -6.369 -6.579 -4.828 357 HG2 GLU 45 1HG GLU 45 -5.947 -7.497 -6.897 358 HG3 GLU 45 2HG GLU 45 -6.364 -8.911 -5.931 359 H HIS 46 H HIS 46 -6.010 -7.119 -2.655 360 HA HIS 46 HA HIS 46 -4.908 -9.806 -2.355 361 HB2 HIS 46 1HB HIS 46 -3.761 -7.186 -1.375 362 HB3 HIS 46 2HB HIS 46 -2.923 -8.730 -1.501 363 HD1 HIS 46 1HD HIS 46 -2.637 -9.631 -4.051 364 HD2 HIS 46 2HD HIS 46 -3.533 -5.603 -3.570 365 HE1 HIS 46 1HE HIS 46 -2.030 -8.542 -6.235 366 H ASP 47 H ASP 47 -7.193 -8.079 -0.834 367 HA ASP 47 HA ASP 47 -8.151 -8.114 1.230 368 HB2 ASP 47 1HB ASP 47 -6.500 -10.575 1.789 369 HB3 ASP 47 2HB ASP 47 -8.084 -10.159 2.436 370 H VAL 48 H VAL 48 -5.945 -6.451 1.006 371 HA VAL 48 HA VAL 48 -4.677 -6.721 3.654 372 HB VAL 48 HB VAL 48 -2.832 -5.304 2.746 373 HG11 VAL 48 1HG1 VAL 48 -3.250 -8.026 2.505 374 HG12 VAL 48 2HG1 VAL 48 -2.691 -7.542 0.903 375 HG13 VAL 48 3HG1 VAL 48 -1.710 -7.185 2.324 376 HG21 VAL 48 1HG2 VAL 48 -4.624 -5.158 0.506 377 HG22 VAL 48 2HG2 VAL 48 -3.144 -4.249 0.813 378 HG23 VAL 48 3HG2 VAL 48 -3.067 -5.811 -0.002 379 H ASN 49 H ASN 49 -3.767 -4.398 4.290 380 HA ASN 49 HA ASN 49 -5.950 -2.459 3.895 381 HB2 ASN 49 1HB ASN 49 -6.208 -3.352 6.110 382 HB3 ASN 49 2HB ASN 49 -4.492 -3.153 6.450 383 HD21 ASN 49 1HD2 ASN 49 -3.847 -1.344 7.399 384 HD22 ASN 49 2HD2 ASN 49 -4.811 0.074 7.612 385 H ILE 50 H ILE 50 -5.273 -0.639 2.996 386 HA ILE 50 HA ILE 50 -2.458 0.153 3.368 387 HB ILE 50 HB ILE 50 -4.275 0.789 1.039 388 HG12 ILE 50 1HG1 ILE 50 -1.764 -0.814 0.809 389 HG13 ILE 50 2HG1 ILE 50 -3.209 -1.604 1.431 390 HG21 ILE 50 1HG2 ILE 50 -2.252 1.729 0.008 391 HG22 ILE 50 2HG2 ILE 50 -2.711 2.590 1.476 392 HG23 ILE 50 3HG2 ILE 50 -1.369 1.446 1.508 393 HD11 ILE 50 1HD1 ILE 50 -3.253 -2.048 -0.845 394 HD12 ILE 50 2HD1 ILE 50 -4.362 -0.689 -0.667 395 HD13 ILE 50 3HD1 ILE 50 -2.727 -0.420 -1.272 396 H GLN 51 H GLN 51 -2.202 1.857 4.637 397 HA GLN 51 HA GLN 51 -4.270 3.956 4.610 398 HB2 GLN 51 1HB GLN 51 -4.273 2.633 6.715 399 HB3 GLN 51 2HB GLN 51 -2.602 3.112 6.985 400 HG2 GLN 51 1HG GLN 51 -3.909 4.534 8.318 401 HG3 GLN 51 2HG GLN 51 -3.405 5.500 6.933 402 HE21 GLN 51 1HE2 GLN 51 -4.915 6.306 5.566 403 HE22 GLN 51 2HE2 GLN 51 -6.617 6.132 5.797 404 H PHE 52 H PHE 52 -3.596 5.980 4.240 405 HA PHE 52 HA PHE 52 -0.736 6.400 3.825 406 HB2 PHE 52 1HB PHE 52 -3.069 8.192 3.119 407 HB3 PHE 52 2HB PHE 52 -1.394 8.423 2.624 408 HD1 PHE 52 1HD PHE 52 -0.403 7.045 0.902 409 HD2 PHE 52 2HD PHE 52 -4.454 6.504 2.093 410 HE1 PHE 52 1HE PHE 52 -0.813 5.697 -1.115 411 HE2 PHE 52 2HE PHE 52 -4.870 5.154 0.079 412 HZ PHE 52 HZ PHE 52 -3.048 4.748 -1.528 413 HA PRO 53 HA PRO 53 -0.128 8.818 7.440 414 HB2 PRO 53 1HB PRO 53 1.771 10.555 6.575 415 HB3 PRO 53 2HB PRO 53 2.103 8.847 6.890 416 HG2 PRO 53 1HG PRO 53 1.577 10.226 4.285 417 HG3 PRO 53 2HG PRO 53 2.790 8.992 4.673 418 HD2 PRO 53 1HD PRO 53 0.470 8.406 3.406 419 HD3 PRO 53 2HD PRO 53 1.272 7.265 4.506 420 H ASP 54 H ASP 54 -0.424 10.914 8.363 421 HA ASP 54 HA ASP 54 -2.163 12.632 6.736 422 HB2 ASP 54 1HB ASP 54 -2.807 11.572 9.064 423 HB3 ASP 54 2HB ASP 54 -1.899 12.941 9.700 424 H LYS 55 H LYS 55 -1.530 14.602 6.148 425 HA LYS 55 HA LYS 55 1.094 15.517 6.570 426 HB2 LYS 55 1HB LYS 55 0.316 17.615 5.519 427 HB3 LYS 55 2HB LYS 55 -0.173 16.189 4.615 428 HG2 LYS 55 1HG LYS 55 -2.357 16.460 6.089 429 HG3 LYS 55 2HG LYS 55 -1.816 18.141 6.121 430 HD2 LYS 55 1HD LYS 55 -2.046 16.579 3.562 431 HD3 LYS 55 2HD LYS 55 -3.411 17.465 4.248 432 HE2 LYS 55 1HE LYS 55 -0.734 18.698 3.613 433 HE3 LYS 55 2HE LYS 55 -2.119 18.725 2.521 434 HZ1 LYS 55 1HZ LYS 55 -1.550 20.443 4.673 435 HZ2 LYS 55 2HZ LYS 55 -2.995 19.628 5.005 436 HZ3 LYS 55 3HZ LYS 55 -2.836 20.518 3.575 437 H ASP 56 H ASP 56 -1.988 16.526 8.012 438 HA ASP 56 HA ASP 56 -1.156 18.656 9.539 439 HB2 ASP 56 1HB ASP 56 -3.158 16.522 10.311 440 HB3 ASP 56 2HB ASP 56 -3.012 18.102 11.076 441 H ASP 57 H ASP 57 -0.928 15.209 10.305 442 HA ASP 57 HA ASP 57 -0.083 15.306 12.920 443 HB2 ASP 57 1HB ASP 57 -0.449 13.294 11.247 444 HB3 ASP 57 2HB ASP 57 1.298 13.416 11.059 445 H GLY 58 H GLY 58 2.121 15.112 10.111 446 HA2 GLY 58 1HA GLY 58 4.067 16.370 9.767 447 HA3 GLY 58 2HA GLY 58 3.918 17.008 11.398 448 H ASN 59 H ASN 59 4.392 15.466 13.181 449 HA ASN 59 HA ASN 59 6.910 14.537 13.216 450 HB2 ASN 59 1HB ASN 59 4.469 13.493 14.628 451 HB3 ASN 59 2HB ASN 59 6.050 12.769 14.907 452 HD21 ASN 59 1HD2 ASN 59 7.791 14.638 15.154 453 HD22 ASN 59 2HD2 ASN 59 7.374 15.809 16.355 454 H GLN 60 H GLN 60 4.154 12.866 11.841 455 HA GLN 60 HA GLN 60 5.739 10.495 11.262 456 HB2 GLN 60 1HB GLN 60 2.850 11.170 10.684 457 HB3 GLN 60 2HB GLN 60 3.613 9.639 10.274 458 HG2 GLN 60 1HG GLN 60 4.027 9.191 12.622 459 HG3 GLN 60 2HG GLN 60 3.325 10.749 13.056 460 HE21 GLN 60 1HE2 GLN 60 1.113 10.866 11.506 461 HE22 GLN 60 2HE2 GLN 60 0.014 9.602 11.927 462 HA PRO 61 HA PRO 61 6.876 11.625 7.174 463 HB2 PRO 61 1HB PRO 61 6.936 9.188 5.980 464 HB3 PRO 61 2HB PRO 61 8.157 9.719 7.143 465 HG2 PRO 61 1HG PRO 61 5.776 7.955 7.569 466 HG3 PRO 61 2HG PRO 61 7.430 7.769 8.180 467 HD2 PRO 61 1HD PRO 61 5.417 8.749 9.703 468 HD3 PRO 61 2HD PRO 61 7.102 9.274 9.893 469 H GLN 62 H GLN 62 5.872 12.323 5.375 470 HA GLN 62 HA GLN 62 3.102 11.491 4.954 471 HB2 GLN 62 1HB GLN 62 4.641 13.794 3.747 472 HB3 GLN 62 2HB GLN 62 2.924 13.484 3.535 473 HG2 GLN 62 1HG GLN 62 4.384 14.418 5.970 474 HG3 GLN 62 2HG GLN 62 2.994 15.137 5.158 475 HE21 GLN 62 1HE2 GLN 62 3.738 13.908 7.940 476 HE22 GLN 62 2HE2 GLN 62 2.315 13.012 8.336 477 H ASP 63 H ASP 63 6.224 11.104 3.618 478 HA ASP 63 HA ASP 63 5.213 10.353 0.987 479 HB2 ASP 63 1HB ASP 63 7.524 10.197 0.315 480 HB3 ASP 63 2HB ASP 63 7.308 11.694 1.217 481 H GLN 64 H GLN 64 5.729 8.909 3.962 482 HA GLN 64 HA GLN 64 6.332 6.281 2.824 483 HB2 GLN 64 1HB GLN 64 6.280 7.316 5.657 484 HB3 GLN 64 2HB GLN 64 6.460 5.609 5.271 485 HG2 GLN 64 1HG GLN 64 8.307 7.553 3.991 486 HG3 GLN 64 2HG GLN 64 8.541 7.156 5.693 487 HE21 GLN 64 1HE2 GLN 64 8.111 5.664 2.516 488 HE22 GLN 64 2HE2 GLN 64 9.131 4.303 2.822 489 H ILE 65 H ILE 65 4.847 4.725 2.616 490 HA ILE 65 HA ILE 65 2.140 5.286 3.607 491 HB ILE 65 HB ILE 65 2.967 3.292 1.497 492 HG12 ILE 65 1HG1 ILE 65 1.680 5.996 1.090 493 HG13 ILE 65 2HG1 ILE 65 3.406 5.703 0.905 494 HG21 ILE 65 1HG2 ILE 65 0.926 2.504 2.052 495 HG22 ILE 65 2HG2 ILE 65 0.410 4.031 2.766 496 HG23 ILE 65 3HG2 ILE 65 0.379 3.822 1.014 497 HD11 ILE 65 1HD1 ILE 65 1.201 5.118 -0.900 498 HD12 ILE 65 2HD1 ILE 65 2.920 5.326 -1.232 499 HD13 ILE 65 3HD1 ILE 65 2.311 3.766 -0.681 500 H THR 66 H THR 66 0.993 3.799 4.800 501 HA THR 66 HA THR 66 2.589 1.606 5.942 502 HB THR 66 HB THR 66 0.057 2.518 7.230 503 HG1 THR 66 1HG THR 66 2.493 3.858 7.761 504 HG21 THR 66 1HG2 THR 66 1.724 2.173 9.236 505 HG22 THR 66 2HG2 THR 66 2.634 1.252 8.039 506 HG23 THR 66 3HG2 THR 66 0.979 0.790 8.436 507 H ILE 67 H ILE 67 2.064 -0.398 5.393 508 HA ILE 67 HA ILE 67 -0.721 -0.974 4.629 509 HB ILE 67 HB ILE 67 1.721 -2.174 3.322 510 HG12 ILE 67 1HG1 ILE 67 -0.278 -0.294 2.069 511 HG13 ILE 67 2HG1 ILE 67 1.218 0.272 2.804 512 HG21 ILE 67 1HG2 ILE 67 -0.998 -3.013 3.456 513 HG22 ILE 67 2HG2 ILE 67 -0.630 -2.535 1.800 514 HG23 ILE 67 3HG2 ILE 67 0.350 -3.762 2.602 515 HD11 ILE 67 1HD1 ILE 67 1.659 0.112 0.513 516 HD12 ILE 67 2HD1 ILE 67 2.410 -1.315 1.227 517 HD13 ILE 67 3HD1 ILE 67 0.869 -1.458 0.383 518 H THR 68 H THR 68 -1.614 -2.496 5.844 519 HA THR 68 HA THR 68 0.143 -4.309 7.352 520 HB THR 68 HB THR 68 -2.777 -3.831 7.929 521 HG1 THR 68 1HG THR 68 -2.232 -2.112 9.149 522 HG21 THR 68 1HG2 THR 68 -2.182 -4.607 10.155 523 HG22 THR 68 2HG2 THR 68 -0.488 -4.738 9.680 524 HG23 THR 68 3HG2 THR 68 -1.694 -5.799 8.951 525 H GLY 69 H GLY 69 -0.349 -6.532 7.495 526 HA2 GLY 69 1HA GLY 69 -2.220 -8.163 6.763 527 HA3 GLY 69 2HA GLY 69 -1.854 -7.521 5.168 528 H TYR 70 H TYR 70 -1.611 -10.092 5.223 529 HA TYR 70 HA TYR 70 0.619 -11.341 6.252 530 HB2 TYR 70 1HB TYR 70 -1.105 -11.793 3.869 531 HB3 TYR 70 2HB TYR 70 0.423 -12.665 3.937 532 HD1 TYR 70 1HD TYR 70 -2.565 -11.934 6.058 533 HD2 TYR 70 2HD TYR 70 0.489 -14.709 5.019 534 HE1 TYR 70 1HE TYR 70 -3.593 -13.609 7.535 535 HE2 TYR 70 2HE TYR 70 -0.531 -16.393 6.493 536 HH TYR 70 HH TYR 70 -3.528 -15.704 8.272 537 H GLU 71 H GLU 71 2.730 -11.091 5.984 538 HA GLU 71 HA GLU 71 4.063 -9.167 4.706 539 HB2 GLU 71 1HB GLU 71 5.249 -10.733 6.086 540 HB3 GLU 71 2HB GLU 71 4.914 -12.051 4.971 541 HG2 GLU 71 1HG GLU 71 6.341 -11.051 3.300 542 HG3 GLU 71 2HG GLU 71 6.617 -9.653 4.337 543 H LYS 72 H LYS 72 2.711 -12.001 3.170 544 HA LYS 72 HA LYS 72 3.959 -11.478 0.623 545 HB2 LYS 72 1HB LYS 72 1.759 -13.394 1.414 546 HB3 LYS 72 2HB LYS 72 2.500 -13.328 -0.180 547 HG2 LYS 72 1HG LYS 72 4.126 -13.790 2.297 548 HG3 LYS 72 2HG LYS 72 3.327 -15.112 1.441 549 HD2 LYS 72 1HD LYS 72 4.510 -14.162 -0.651 550 HD3 LYS 72 2HD LYS 72 5.542 -13.319 0.507 551 HE2 LYS 72 1HE LYS 72 5.937 -15.576 1.586 552 HE3 LYS 72 2HE LYS 72 5.162 -16.285 0.169 553 HZ1 LYS 72 1HZ LYS 72 7.435 -16.324 -0.295 554 HZ2 LYS 72 2HZ LYS 72 7.693 -14.762 0.301 555 HZ3 LYS 72 3HZ LYS 72 6.867 -14.984 -1.159 556 H ASN 73 H ASN 73 0.543 -11.620 1.652 557 HA ASN 73 HA ASN 73 -0.621 -10.510 -0.570 558 HB2 ASN 73 1HB ASN 73 -1.347 -10.535 2.328 559 HB3 ASN 73 2HB ASN 73 -2.286 -9.519 1.239 560 HD21 ASN 73 1HD2 ASN 73 -3.851 -11.191 2.226 561 HD22 ASN 73 2HD2 ASN 73 -4.135 -12.592 1.255 562 H THR 74 H THR 74 1.175 -8.912 1.953 563 HA THR 74 HA THR 74 0.346 -6.266 1.486 564 HB THR 74 HB THR 74 2.472 -5.595 2.574 565 HG1 THR 74 1HG THR 74 3.575 -7.688 3.434 566 HG21 THR 74 1HG2 THR 74 1.748 -7.762 4.366 567 HG22 THR 74 2HG2 THR 74 0.329 -6.966 3.684 568 HG23 THR 74 3HG2 THR 74 1.536 -6.022 4.560 569 H GLU 75 H GLU 75 3.377 -7.842 0.444 570 HA GLU 75 HA GLU 75 4.362 -5.872 -1.187 571 HB2 GLU 75 1HB GLU 75 4.490 -8.813 -1.861 572 HB3 GLU 75 2HB GLU 75 5.640 -7.564 -2.318 573 HG2 GLU 75 1HG GLU 75 5.840 -7.279 0.295 574 HG3 GLU 75 2HG GLU 75 5.267 -8.946 0.282 575 H ALA 76 H ALA 76 2.176 -8.509 -2.163 576 HA ALA 76 HA ALA 76 1.891 -7.933 -4.835 577 HB1 ALA 76 1HB ALA 76 -0.438 -8.758 -3.125 578 HB2 ALA 76 2HB ALA 76 -0.105 -9.179 -4.805 579 HB3 ALA 76 3HB ALA 76 0.886 -9.856 -3.512 580 H ALA 77 H ALA 77 0.656 -6.178 -2.108 581 HA ALA 77 HA ALA 77 -1.124 -4.572 -3.768 582 HB1 ALA 77 1HB ALA 77 -0.790 -3.702 -1.011 583 HB2 ALA 77 2HB ALA 77 -2.254 -4.138 -1.893 584 HB3 ALA 77 3HB ALA 77 -1.267 -5.395 -1.148 585 H ARG 78 H ARG 78 1.699 -4.102 -1.651 586 HA ARG 78 HA ARG 78 2.033 -1.364 -2.090 587 HB2 ARG 78 1HB ARG 78 4.105 -1.574 -1.046 588 HB3 ARG 78 2HB ARG 78 3.199 -2.934 -0.397 589 HG2 ARG 78 1HG ARG 78 5.132 -4.001 -0.907 590 HG3 ARG 78 2HG ARG 78 4.306 -4.176 -2.457 591 HD2 ARG 78 1HD ARG 78 5.451 -1.891 -2.995 592 HD3 ARG 78 2HD ARG 78 6.545 -2.355 -1.692 593 HE ARG 78 HE ARG 78 6.139 -4.357 -3.742 594 HH11 ARG 78 1HH1 ARG 78 8.068 -1.686 -2.613 595 HH12 ARG 78 2HH1 ARG 78 9.468 -2.143 -3.525 596 HH21 ARG 78 1HH2 ARG 78 7.976 -4.968 -4.948 597 HH22 ARG 78 2HH2 ARG 78 9.414 -4.009 -4.854 598 H ASP 79 H ASP 79 2.636 -4.041 -4.148 599 HA ASP 79 HA ASP 79 4.643 -2.889 -5.792 600 HB2 ASP 79 1HB ASP 79 4.020 -5.347 -5.646 601 HB3 ASP 79 2HB ASP 79 2.624 -4.962 -6.650 602 H ALA 80 H ALA 80 1.179 -2.625 -5.670 603 HA ALA 80 HA ALA 80 0.864 -1.527 -8.296 604 HB1 ALA 80 1HB ALA 80 -1.363 -0.729 -6.951 605 HB2 ALA 80 2HB ALA 80 -1.168 -2.295 -7.739 606 HB3 ALA 80 3HB ALA 80 -0.864 -2.135 -6.010 607 H ILE 81 H ILE 81 0.697 -0.117 -5.023 608 HA ILE 81 HA ILE 81 0.270 2.506 -5.585 609 HB ILE 81 HB ILE 81 2.267 1.481 -3.562 610 HG12 ILE 81 1HG1 ILE 81 -0.687 2.080 -3.279 611 HG13 ILE 81 2HG1 ILE 81 0.028 0.472 -3.328 612 HG21 ILE 81 1HG2 ILE 81 1.975 4.051 -4.309 613 HG22 ILE 81 2HG2 ILE 81 0.732 3.947 -3.064 614 HG23 ILE 81 3HG2 ILE 81 2.404 3.550 -2.673 615 HD11 ILE 81 1HD1 ILE 81 0.696 0.567 -1.189 616 HD12 ILE 81 2HD1 ILE 81 1.117 2.278 -1.282 617 HD13 ILE 81 3HD1 ILE 81 -0.565 1.794 -1.066 618 H LEU 82 H LEU 82 3.292 0.743 -5.965 619 HA LEU 82 HA LEU 82 4.807 3.088 -6.658 620 HB2 LEU 82 1HB LEU 82 5.526 0.195 -7.092 621 HB3 LEU 82 2HB LEU 82 6.626 1.572 -7.087 622 HG LEU 82 HG LEU 82 5.082 0.626 -4.675 623 HD11 LEU 82 1HD1 LEU 82 7.989 0.271 -4.746 624 HD12 LEU 82 2HD1 LEU 82 7.093 -0.764 -5.857 625 HD13 LEU 82 3HD1 LEU 82 6.726 -0.796 -4.132 626 HD21 LEU 82 1HD2 LEU 82 7.310 2.019 -3.860 627 HD22 LEU 82 2HD2 LEU 82 5.661 2.643 -3.914 628 HD23 LEU 82 3HD2 LEU 82 6.758 2.932 -5.265 629 H ARG 83 H ARG 83 3.818 0.179 -8.474 630 HA ARG 83 HA ARG 83 4.643 0.714 -10.971 631 HB2 ARG 83 1HB ARG 83 3.068 -1.156 -10.088 632 HB3 ARG 83 2HB ARG 83 1.774 -0.081 -10.597 633 HG2 ARG 83 1HG ARG 83 3.155 -0.055 -12.846 634 HG3 ARG 83 2HG ARG 83 3.727 -1.605 -12.226 635 HD2 ARG 83 1HD ARG 83 1.435 -2.390 -12.021 636 HD3 ARG 83 2HD ARG 83 0.834 -0.826 -12.568 637 HE ARG 83 HE ARG 83 2.560 -1.817 -14.523 638 HH11 ARG 83 1HH1 ARG 83 -0.520 -2.584 -13.093 639 HH12 ARG 83 2HH1 ARG 83 -1.141 -3.344 -14.522 640 HH21 ARG 83 1HH2 ARG 83 1.754 -2.814 -16.409 641 HH22 ARG 83 2HH2 ARG 83 0.154 -3.474 -16.407 642 H ILE 84 H ILE 84 1.855 2.228 -9.408 643 HA ILE 84 HA ILE 84 0.948 3.694 -11.632 644 HB ILE 84 HB ILE 84 0.694 4.440 -8.716 645 HG12 ILE 84 1HG1 ILE 84 -1.413 3.037 -10.330 646 HG13 ILE 84 2HG1 ILE 84 -0.128 2.109 -9.563 647 HG21 ILE 84 1HG2 ILE 84 0.107 5.997 -10.849 648 HG22 ILE 84 2HG2 ILE 84 -1.420 5.142 -10.634 649 HG23 ILE 84 3HG2 ILE 84 -0.736 6.075 -9.302 650 HD11 ILE 84 1HD1 ILE 84 -1.397 4.010 -7.762 651 HD12 ILE 84 2HD1 ILE 84 -2.508 2.806 -8.414 652 HD13 ILE 84 3HD1 ILE 84 -1.059 2.292 -7.552 653 H VAL 85 H VAL 85 2.768 4.901 -8.806 654 HA VAL 85 HA VAL 85 3.326 7.428 -9.455 655 HB VAL 85 HB VAL 85 5.395 5.448 -8.491 656 HG11 VAL 85 1HG1 VAL 85 5.713 8.161 -7.561 657 HG12 VAL 85 2HG1 VAL 85 6.880 7.099 -8.352 658 HG13 VAL 85 3HG1 VAL 85 5.779 8.080 -9.320 659 HG21 VAL 85 1HG2 VAL 85 4.537 5.629 -6.419 660 HG22 VAL 85 2HG2 VAL 85 4.148 7.337 -6.617 661 HG23 VAL 85 3HG2 VAL 85 3.066 6.106 -7.267 662 H GLY 86 H GLY 86 5.427 4.767 -10.589 663 HA2 GLY 86 1HA GLY 86 7.154 6.064 -12.209 664 HA3 GLY 86 2HA GLY 86 6.470 4.503 -12.638 665 H GLU 87 H GLU 87 3.814 5.251 -13.078 666 HA GLU 87 HA GLU 87 4.033 6.323 -15.720 667 HB2 GLU 87 1HB GLU 87 1.375 6.063 -14.409 668 HB3 GLU 87 2HB GLU 87 1.874 5.615 -16.033 669 HG2 GLU 87 1HG GLU 87 3.299 3.827 -14.695 670 HG3 GLU 87 2HG GLU 87 2.022 4.078 -13.508 671 H LEU 88 H LEU 88 2.201 7.408 -12.855 672 HA LEU 88 HA LEU 88 1.171 9.752 -13.654 673 HB2 LEU 88 1HB LEU 88 2.718 9.573 -11.082 674 HB3 LEU 88 2HB LEU 88 1.295 10.554 -11.424 675 HG LEU 88 HG LEU 88 1.365 7.549 -11.154 676 HD11 LEU 88 1HD1 LEU 88 0.975 7.840 -8.992 677 HD12 LEU 88 2HD1 LEU 88 -0.371 8.925 -9.340 678 HD13 LEU 88 3HD1 LEU 88 1.266 9.567 -9.205 679 HD21 LEU 88 1HD2 LEU 88 -0.981 7.561 -11.482 680 HD22 LEU 88 2HD2 LEU 88 -0.284 8.480 -12.816 681 HD23 LEU 88 3HD2 LEU 88 -1.045 9.323 -11.466 682 H GLU 89 H GLU 89 4.574 9.192 -12.911 683 HA GLU 89 HA GLU 89 5.425 11.874 -13.099 684 HB2 GLU 89 1HB GLU 89 6.742 9.211 -13.160 685 HB3 GLU 89 2HB GLU 89 7.655 10.571 -13.796 686 HG2 GLU 89 1HG GLU 89 6.886 11.680 -11.522 687 HG3 GLU 89 2HG GLU 89 6.789 9.994 -11.021 688 H GLN 90 H GLN 90 5.760 9.232 -15.476 689 HA GLN 90 HA GLN 90 6.398 11.112 -17.572 690 HB2 GLN 90 1HB GLN 90 7.466 8.877 -17.439 691 HB3 GLN 90 2HB GLN 90 5.901 8.134 -17.743 692 HG2 GLN 90 1HG GLN 90 5.862 8.794 -19.945 693 HG3 GLN 90 2HG GLN 90 6.976 10.133 -19.675 694 HE21 GLN 90 1HE2 GLN 90 9.212 9.644 -19.363 695 HE22 GLN 90 2HE2 GLN 90 9.892 8.209 -20.042 696 H MET 91 H MET 91 3.860 11.572 -16.443 697 HA MET 91 HA MET 91 2.159 11.029 -18.779 698 HB2 MET 91 1HB MET 91 1.544 10.605 -15.883 699 HB3 MET 91 2HB MET 91 0.248 11.079 -16.972 700 HG2 MET 91 1HG MET 91 1.982 8.802 -17.757 701 HG3 MET 91 2HG MET 91 0.795 8.554 -16.479 702 HE1 MET 91 1HE MET 91 -0.768 7.145 -17.113 703 HE2 MET 91 2HE MET 91 -2.040 8.367 -17.133 704 HE3 MET 91 3HE MET 91 -1.891 7.226 -18.471 705 H SER 92 H SER 92 1.840 12.928 -19.729 706 HA SER 92 HA SER 92 2.288 15.438 -18.779 707 HB2 SER 92 1HB SER 92 0.076 14.660 -20.696 708 HB3 SER 92 2HB SER 92 0.770 16.271 -20.522 709 HG SER 92 HG SER 92 1.834 13.987 -21.712 710 H GLY 93 H GLY 93 1.433 16.708 -17.269 711 HA2 GLY 93 1HA GLY 93 -1.365 16.857 -16.748 712 HA3 GLY 93 2HA GLY 93 -0.539 15.942 -15.494 713 HA PRO 94 HA PRO 94 -0.075 20.724 -15.109 714 HB2 PRO 94 1HB PRO 94 -2.297 21.367 -13.688 715 HB3 PRO 94 2HB PRO 94 -2.236 21.425 -15.453 716 HG2 PRO 94 1HG PRO 94 -3.350 19.298 -13.666 717 HG3 PRO 94 2HG PRO 94 -4.029 19.976 -15.158 718 HD2 PRO 94 1HD PRO 94 -2.728 17.601 -15.096 719 HD3 PRO 94 2HD PRO 94 -2.686 18.676 -16.508 720 H SER 95 H SER 95 1.449 20.808 -13.580 721 HA SER 95 HA SER 95 0.832 20.781 -10.834 722 HB2 SER 95 1HB SER 95 1.998 18.770 -10.103 723 HB3 SER 95 2HB SER 95 0.703 18.331 -11.217 724 HG SER 95 HG SER 95 3.459 18.176 -11.535 725 H SER 96 H SER 96 2.647 21.302 -9.504 726 HA SER 96 HA SER 96 5.151 21.878 -10.912 727 HB2 SER 96 1HB SER 96 3.810 23.949 -10.975 728 HB3 SER 96 2HB SER 96 3.667 23.902 -9.218 729 HG SER 96 HG SER 96 5.680 24.557 -9.020 730 H GLY 97 H GLY 97 6.964 22.279 -9.469 731 HA2 GLY 97 1HA GLY 97 8.070 22.151 -7.400 732 HA3 GLY 97 2HA GLY 97 6.584 21.564 -6.667 Start of MODEL 17 1 H1 GLY 1 H GLY 1 2.492 -33.042 26.919 2 HA2 GLY 1 1HA GLY 1 2.046 -32.205 24.808 3 HA3 GLY 1 2HA GLY 1 3.554 -33.028 24.434 4 H SER 2 H SER 2 2.058 -32.849 22.343 5 HA SER 2 HA SER 2 0.317 -35.194 22.159 6 HB2 SER 2 1HB SER 2 -0.347 -32.874 21.281 7 HB3 SER 2 2HB SER 2 0.800 -33.171 19.974 8 HG SER 2 HG SER 2 -1.142 -35.106 20.578 9 H SER 3 H SER 3 0.529 -36.665 20.353 10 HA SER 3 HA SER 3 2.961 -37.872 20.099 11 HB2 SER 3 1HB SER 3 0.778 -38.816 19.331 12 HB3 SER 3 2HB SER 3 0.879 -37.785 17.905 13 HG SER 3 HG SER 3 1.946 -39.407 17.099 14 H GLY 4 H GLY 4 1.548 -35.835 17.526 15 HA2 GLY 4 1HA GLY 4 4.181 -34.684 17.015 16 HA3 GLY 4 2HA GLY 4 3.465 -35.618 15.711 17 H SER 5 H SER 5 2.692 -32.946 17.931 18 HA SER 5 HA SER 5 0.516 -31.861 16.690 19 HB2 SER 5 1HB SER 5 1.261 -29.661 17.580 20 HB3 SER 5 2HB SER 5 1.391 -30.954 18.772 21 HG SER 5 HG SER 5 3.512 -29.932 17.182 22 H SER 6 H SER 6 0.338 -31.752 14.526 23 HA SER 6 HA SER 6 2.497 -30.462 13.006 24 HB2 SER 6 1HB SER 6 0.373 -32.450 12.294 25 HB3 SER 6 2HB SER 6 1.031 -31.407 11.034 26 HG SER 6 HG SER 6 2.167 -33.411 11.269 27 H GLY 7 H GLY 7 2.057 -28.776 11.562 28 HA2 GLY 7 1HA GLY 7 0.400 -27.366 10.441 29 HA3 GLY 7 2HA GLY 7 -0.595 -27.517 11.882 30 H GLU 8 H GLU 8 1.133 -25.361 10.258 31 HA GLU 8 HA GLU 8 2.451 -24.130 12.555 32 HB2 GLU 8 1HB GLU 8 2.595 -23.778 9.600 33 HB3 GLU 8 2HB GLU 8 2.986 -22.396 10.612 34 HG2 GLU 8 1HG GLU 8 5.043 -23.374 10.281 35 HG3 GLU 8 2HG GLU 8 4.557 -24.032 11.842 36 H GLN 9 H GLN 9 0.188 -23.133 9.983 37 HA GLN 9 HA GLN 9 -1.242 -21.331 9.897 38 HB2 GLN 9 1HB GLN 9 -2.291 -23.294 11.307 39 HB3 GLN 9 2HB GLN 9 -2.164 -22.135 12.625 40 HG2 GLN 9 1HG GLN 9 -4.361 -22.042 11.642 41 HG3 GLN 9 2HG GLN 9 -3.497 -20.536 11.338 42 HE21 GLN 9 1HE2 GLN 9 -3.856 -23.727 9.815 43 HE22 GLN 9 2HE2 GLN 9 -4.088 -23.124 8.213 44 H GLU 10 H GLU 10 1.174 -20.358 10.659 45 HA GLU 10 HA GLU 10 0.917 -18.818 13.091 46 HB2 GLU 10 1HB GLU 10 3.033 -18.556 10.954 47 HB3 GLU 10 2HB GLU 10 3.130 -18.013 12.624 48 HG2 GLU 10 1HG GLU 10 2.673 -20.901 12.113 49 HG3 GLU 10 2HG GLU 10 4.279 -20.239 11.817 50 H ASP 11 H ASP 11 -1.208 -18.130 11.661 51 HA ASP 11 HA ASP 11 -0.695 -15.847 9.974 52 HB2 ASP 11 1HB ASP 11 -3.150 -15.662 9.861 53 HB3 ASP 11 2HB ASP 11 -2.603 -17.298 9.502 54 H ARG 12 H ARG 12 -1.611 -16.445 13.298 55 HA ARG 12 HA ARG 12 -2.604 -13.994 14.074 56 HB2 ARG 12 1HB ARG 12 -1.720 -14.522 16.332 57 HB3 ARG 12 2HB ARG 12 -2.566 -15.875 15.592 58 HG2 ARG 12 1HG ARG 12 -0.574 -17.038 15.178 59 HG3 ARG 12 2HG ARG 12 0.416 -15.604 15.449 60 HD2 ARG 12 1HD ARG 12 0.601 -17.072 17.352 61 HD3 ARG 12 2HD ARG 12 -0.280 -15.617 17.819 62 HE ARG 12 HE ARG 12 -2.138 -16.904 18.210 63 HH11 ARG 12 1HH1 ARG 12 0.198 -18.760 16.415 64 HH12 ARG 12 2HH1 ARG 12 -0.667 -20.252 16.581 65 HH21 ARG 12 1HH2 ARG 12 -3.284 -18.863 18.437 66 HH22 ARG 12 2HH2 ARG 12 -2.648 -20.310 17.731 67 H ALA 13 H ALA 13 0.725 -14.934 13.484 68 HA ALA 13 HA ALA 13 1.712 -12.339 14.376 69 HB1 ALA 13 1HB ALA 13 3.467 -13.566 14.962 70 HB2 ALA 13 2HB ALA 13 2.833 -14.971 14.104 71 HB3 ALA 13 3HB ALA 13 3.823 -13.788 13.249 72 H LEU 14 H LEU 14 1.576 -14.298 11.420 73 HA LEU 14 HA LEU 14 2.925 -12.650 9.673 74 HB2 LEU 14 1HB LEU 14 0.555 -14.448 9.277 75 HB3 LEU 14 2HB LEU 14 1.285 -13.569 7.935 76 HG LEU 14 HG LEU 14 2.878 -15.438 9.670 77 HD11 LEU 14 1HD1 LEU 14 2.035 -17.245 8.692 78 HD12 LEU 14 2HD1 LEU 14 2.142 -16.512 7.091 79 HD13 LEU 14 3HD1 LEU 14 0.726 -16.222 8.101 80 HD21 LEU 14 1HD2 LEU 14 3.244 -14.217 6.944 81 HD22 LEU 14 2HD2 LEU 14 4.227 -15.552 7.545 82 HD23 LEU 14 3HD2 LEU 14 4.246 -13.997 8.378 83 H ARG 15 H ARG 15 -0.539 -12.556 10.482 84 HA ARG 15 HA ARG 15 -1.236 -10.409 8.834 85 HB2 ARG 15 1HB ARG 15 -3.251 -10.269 10.079 86 HB3 ARG 15 2HB ARG 15 -2.797 -11.969 10.075 87 HG2 ARG 15 1HG ARG 15 -2.306 -11.989 12.308 88 HG3 ARG 15 2HG ARG 15 -1.912 -10.270 12.348 89 HD2 ARG 15 1HD ARG 15 -4.169 -9.638 12.376 90 HD3 ARG 15 2HD ARG 15 -4.709 -11.230 11.842 91 HE ARG 15 HE ARG 15 -4.050 -10.424 14.541 92 HH11 ARG 15 1HH1 ARG 15 -4.588 -13.064 12.336 93 HH12 ARG 15 2HH1 ARG 15 -4.952 -14.206 13.587 94 HH21 ARG 15 1HH2 ARG 15 -4.527 -11.918 16.197 95 HH22 ARG 15 2HH2 ARG 15 -4.918 -13.553 15.783 96 H SER 16 H SER 16 0.649 -10.480 11.668 97 HA SER 16 HA SER 16 0.179 -7.670 12.297 98 HB2 SER 16 1HB SER 16 0.570 -9.677 13.982 99 HB3 SER 16 2HB SER 16 2.266 -9.294 13.690 100 HG SER 16 HG SER 16 0.552 -7.170 14.243 101 H PHE 17 H PHE 17 1.270 -8.092 9.771 102 HA PHE 17 HA PHE 17 4.083 -7.294 10.091 103 HB2 PHE 17 1HB PHE 17 4.162 -9.086 8.638 104 HB3 PHE 17 2HB PHE 17 2.591 -8.721 7.933 105 HD1 PHE 17 2HD PHE 17 2.395 -6.807 6.327 106 HD2 PHE 17 1HD PHE 17 6.148 -8.311 7.657 107 HE1 PHE 17 2HE PHE 17 3.503 -5.723 4.417 108 HE2 PHE 17 1HE PHE 17 7.262 -7.228 5.749 109 HZ PHE 17 HZ PHE 17 5.939 -5.933 4.125 110 H LYS 18 H LYS 18 4.567 -5.227 9.816 111 HA LYS 18 HA LYS 18 2.665 -3.514 8.366 112 HB2 LYS 18 1HB LYS 18 3.348 -3.120 10.855 113 HB3 LYS 18 2HB LYS 18 4.825 -2.461 10.162 114 HG2 LYS 18 1HG LYS 18 3.190 -1.035 8.724 115 HG3 LYS 18 2HG LYS 18 2.032 -1.430 9.995 116 HD2 LYS 18 1HD LYS 18 2.909 0.503 10.848 117 HD3 LYS 18 2HD LYS 18 4.019 -0.671 11.560 118 HE2 LYS 18 1HE LYS 18 5.536 -0.289 9.606 119 HE3 LYS 18 2HE LYS 18 4.467 1.020 9.105 120 HZ1 LYS 18 1HZ LYS 18 6.535 1.086 11.000 121 HZ2 LYS 18 2HZ LYS 18 5.079 1.409 11.797 122 HZ3 LYS 18 3HZ LYS 18 5.549 2.356 10.477 123 H LEU 19 H LEU 19 3.249 -2.711 6.464 124 HA LEU 19 HA LEU 19 6.106 -2.744 5.751 125 HB2 LEU 19 1HB LEU 19 4.883 -4.214 4.336 126 HB3 LEU 19 2HB LEU 19 3.628 -3.007 4.064 127 HG LEU 19 HG LEU 19 5.522 -1.643 2.940 128 HD11 LEU 19 1HD1 LEU 19 6.939 -3.989 3.681 129 HD12 LEU 19 2HD1 LEU 19 7.529 -2.570 2.815 130 HD13 LEU 19 3HD1 LEU 19 6.849 -3.929 1.921 131 HD21 LEU 19 1HD2 LEU 19 5.218 -3.359 0.888 132 HD22 LEU 19 2HD2 LEU 19 3.976 -2.215 1.402 133 HD23 LEU 19 3HD2 LEU 19 3.907 -3.895 1.938 134 H SER 20 H SER 20 6.932 -1.007 4.471 135 HA SER 20 HA SER 20 5.334 1.463 4.590 136 HB2 SER 20 1HB SER 20 7.035 2.686 5.563 137 HB3 SER 20 2HB SER 20 7.289 1.123 6.339 138 HG SER 20 HG SER 20 8.794 2.407 4.368 139 H VAL 21 H VAL 21 4.990 2.150 2.593 140 HA VAL 21 HA VAL 21 6.926 1.516 0.490 141 HB VAL 21 HB VAL 21 4.232 2.789 0.071 142 HG11 VAL 21 1HG1 VAL 21 4.418 1.862 -2.150 143 HG12 VAL 21 2HG1 VAL 21 5.865 2.806 -1.786 144 HG13 VAL 21 3HG1 VAL 21 5.920 1.044 -1.718 145 HG21 VAL 21 1HG2 VAL 21 3.799 0.790 1.335 146 HG22 VAL 21 2HG2 VAL 21 3.372 0.496 -0.350 147 HG23 VAL 21 3HG2 VAL 21 4.879 -0.147 0.303 148 H THR 22 H THR 22 8.381 2.988 -0.054 149 HA THR 22 HA THR 22 8.135 5.728 0.794 150 HB THR 22 HB THR 22 10.262 4.520 -0.981 151 HG1 THR 22 1HG THR 22 10.384 3.397 0.912 152 HG21 THR 22 1HG2 THR 22 11.199 6.589 0.732 153 HG22 THR 22 2HG2 THR 22 9.761 7.175 -0.104 154 HG23 THR 22 3HG2 THR 22 11.134 6.567 -1.030 155 H VAL 23 H VAL 23 6.772 7.005 -0.295 156 HA VAL 23 HA VAL 23 7.214 7.395 -3.141 157 HB VAL 23 HB VAL 23 4.530 6.577 -2.027 158 HG11 VAL 23 1HG1 VAL 23 5.198 7.739 -4.728 159 HG12 VAL 23 2HG1 VAL 23 3.651 7.010 -4.294 160 HG13 VAL 23 3HG1 VAL 23 4.195 8.479 -3.481 161 HG21 VAL 23 1HG2 VAL 23 5.871 4.685 -2.592 162 HG22 VAL 23 2HG2 VAL 23 4.679 4.893 -3.876 163 HG23 VAL 23 3HG2 VAL 23 6.347 5.409 -4.128 164 H ASP 24 H ASP 24 6.904 9.468 -3.761 165 HA ASP 24 HA ASP 24 6.867 11.547 -1.978 166 HB2 ASP 24 1HB ASP 24 7.352 11.579 -4.500 167 HB3 ASP 24 2HB ASP 24 5.617 11.805 -4.707 168 HA PRO 25 HA PRO 25 2.751 11.786 -0.421 169 HB2 PRO 25 1HB PRO 25 2.809 14.347 0.474 170 HB3 PRO 25 2HB PRO 25 3.642 13.024 1.298 171 HG2 PRO 25 1HG PRO 25 4.744 15.078 -0.579 172 HG3 PRO 25 2HG PRO 25 5.430 14.465 0.936 173 HD2 PRO 25 1HD PRO 25 6.263 13.606 -1.493 174 HD3 PRO 25 2HD PRO 25 6.251 12.556 -0.062 175 H LYS 26 H LYS 26 3.818 13.288 -3.178 176 HA LYS 26 HA LYS 26 1.519 14.998 -3.604 177 HB2 LYS 26 1HB LYS 26 2.551 15.621 -5.662 178 HB3 LYS 26 2HB LYS 26 3.827 15.533 -4.454 179 HG2 LYS 26 1HG LYS 26 4.500 13.354 -5.293 180 HG3 LYS 26 2HG LYS 26 3.190 13.393 -6.476 181 HD2 LYS 26 1HD LYS 26 4.244 14.935 -7.794 182 HD3 LYS 26 2HD LYS 26 5.100 15.671 -6.436 183 HE2 LYS 26 1HE LYS 26 6.342 13.376 -6.352 184 HE3 LYS 26 2HE LYS 26 5.783 13.229 -8.018 185 HZ1 LYS 26 1HZ LYS 26 7.979 14.205 -7.931 186 HZ2 LYS 26 2HZ LYS 26 7.429 15.447 -6.925 187 HZ3 LYS 26 3HZ LYS 26 6.869 15.339 -8.518 188 H TYR 27 H TYR 27 2.564 11.782 -4.415 189 HA TYR 27 HA TYR 27 0.404 11.431 -6.344 190 HB2 TYR 27 1HB TYR 27 2.605 9.570 -5.429 191 HB3 TYR 27 2HB TYR 27 1.386 9.149 -6.627 192 HD1 TYR 27 2HD TYR 27 1.193 11.490 -8.304 193 HD2 TYR 27 1HD TYR 27 4.641 9.764 -6.506 194 HE1 TYR 27 2HE TYR 27 2.595 12.462 -10.074 195 HE2 TYR 27 1HE TYR 27 6.054 10.732 -8.271 196 HH TYR 27 HH TYR 27 4.652 12.726 -10.858 197 H HIS 28 H HIS 28 1.014 10.976 -3.029 198 HA HIS 28 HA HIS 28 -0.354 8.717 -2.307 199 HB2 HIS 28 1HB HIS 28 0.147 11.339 -1.021 200 HB3 HIS 28 2HB HIS 28 -1.144 10.366 -0.321 201 HD2 HIS 28 2HD HIS 28 1.896 8.378 -1.634 202 HE1 HIS 28 1HE HIS 28 2.208 8.585 2.592 203 HE2 HIS 28 2HE HIS 28 3.175 7.610 0.479 204 HA PRO 29 HA PRO 29 -4.548 11.110 -2.277 205 HB2 PRO 29 1HB PRO 29 -4.581 13.594 -3.371 206 HB3 PRO 29 2HB PRO 29 -4.229 13.300 -1.663 207 HG2 PRO 29 1HG PRO 29 -2.337 13.797 -3.929 208 HG3 PRO 29 2HG PRO 29 -2.307 14.452 -2.282 209 HD2 PRO 29 1HD PRO 29 -0.733 12.389 -3.059 210 HD3 PRO 29 2HD PRO 29 -1.360 12.542 -1.406 211 H LYS 30 H LYS 30 -2.370 10.819 -4.829 212 HA LYS 30 HA LYS 30 -4.367 11.173 -6.921 213 HB2 LYS 30 1HB LYS 30 -1.435 10.453 -7.053 214 HB3 LYS 30 2HB LYS 30 -2.473 10.655 -8.458 215 HG2 LYS 30 1HG LYS 30 -1.926 12.808 -6.426 216 HG3 LYS 30 2HG LYS 30 -1.064 12.627 -7.956 217 HD2 LYS 30 1HD LYS 30 -3.230 12.842 -9.145 218 HD3 LYS 30 2HD LYS 30 -4.015 13.146 -7.593 219 HE2 LYS 30 1HE LYS 30 -1.744 14.805 -8.674 220 HE3 LYS 30 2HE LYS 30 -3.445 15.196 -8.929 221 HZ1 LYS 30 1HZ LYS 30 -2.143 14.922 -6.273 222 HZ2 LYS 30 2HZ LYS 30 -3.745 15.381 -6.558 223 HZ3 LYS 30 3HZ LYS 30 -2.478 16.392 -7.041 224 H ILE 31 H ILE 31 -2.796 8.662 -5.122 225 HA ILE 31 HA ILE 31 -3.516 6.547 -6.942 226 HB ILE 31 HB ILE 31 -2.574 6.354 -4.078 227 HG12 ILE 31 1HG1 ILE 31 -0.859 5.834 -6.482 228 HG13 ILE 31 2HG1 ILE 31 -1.086 7.485 -5.915 229 HG21 ILE 31 1HG2 ILE 31 -1.779 4.066 -5.228 230 HG22 ILE 31 2HG2 ILE 31 -3.324 4.246 -4.398 231 HG23 ILE 31 3HG2 ILE 31 -3.247 4.368 -6.156 232 HD11 ILE 31 1HD1 ILE 31 -0.287 5.437 -3.928 233 HD12 ILE 31 2HD1 ILE 31 0.918 5.989 -5.092 234 HD13 ILE 31 3HD1 ILE 31 0.126 7.149 -4.026 235 H ILE 32 H ILE 32 -4.679 7.747 -3.815 236 HA ILE 32 HA ILE 32 -6.536 5.902 -3.104 237 HB ILE 32 HB ILE 32 -6.950 8.893 -3.040 238 HG12 ILE 32 1HG1 ILE 32 -5.887 7.053 -0.888 239 HG13 ILE 32 2HG1 ILE 32 -4.869 8.037 -1.933 240 HG21 ILE 32 1HG2 ILE 32 -8.166 7.133 -1.004 241 HG22 ILE 32 2HG2 ILE 32 -8.779 8.612 -1.739 242 HG23 ILE 32 3HG2 ILE 32 -8.880 7.084 -2.615 243 HD11 ILE 32 1HD1 ILE 32 -6.999 9.480 -0.512 244 HD12 ILE 32 2HD1 ILE 32 -5.717 8.804 0.493 245 HD13 ILE 32 3HD1 ILE 32 -5.319 9.926 -0.808 246 H GLY 33 H GLY 33 -7.062 8.533 -5.446 247 HA2 GLY 33 1HA GLY 33 -8.281 8.010 -7.494 248 HA3 GLY 33 2HA GLY 33 -9.308 6.954 -6.535 249 H ARG 34 H ARG 34 -10.223 9.023 -8.257 250 HA ARG 34 HA ARG 34 -10.800 11.473 -7.294 251 HB2 ARG 34 1HB ARG 34 -11.654 10.421 -9.430 252 HB3 ARG 34 2HB ARG 34 -12.940 9.702 -8.471 253 HG2 ARG 34 1HG ARG 34 -13.901 11.615 -9.384 254 HG3 ARG 34 2HG ARG 34 -13.482 12.088 -7.736 255 HD2 ARG 34 1HD ARG 34 -11.509 13.223 -8.505 256 HD3 ARG 34 2HD ARG 34 -11.750 12.622 -10.144 257 HE ARG 34 HE ARG 34 -14.013 14.091 -9.331 258 HH11 ARG 34 1HH1 ARG 34 -10.683 14.531 -10.248 259 HH12 ARG 34 2HH1 ARG 34 -10.927 16.133 -10.862 260 HH21 ARG 34 1HH2 ARG 34 -14.347 16.199 -10.137 261 HH22 ARG 34 2HH2 ARG 34 -13.012 17.080 -10.797 262 H LYS 35 H LYS 35 -12.899 8.663 -6.625 263 HA LYS 35 HA LYS 35 -13.956 10.077 -4.287 264 HB2 LYS 35 1HB LYS 35 -15.552 9.134 -5.942 265 HB3 LYS 35 2HB LYS 35 -14.933 7.527 -5.587 266 HG2 LYS 35 1HG LYS 35 -16.892 7.695 -4.335 267 HG3 LYS 35 2HG LYS 35 -15.599 7.989 -3.170 268 HD2 LYS 35 1HD LYS 35 -15.974 10.483 -3.729 269 HD3 LYS 35 2HD LYS 35 -17.514 9.941 -4.402 270 HE2 LYS 35 1HE LYS 35 -18.363 9.371 -2.358 271 HE3 LYS 35 2HE LYS 35 -16.777 9.009 -1.679 272 HZ1 LYS 35 1HZ LYS 35 -17.340 11.787 -2.385 273 HZ2 LYS 35 2HZ LYS 35 -16.426 11.161 -1.106 274 HZ3 LYS 35 3HZ LYS 35 -18.116 11.163 -1.018 275 H GLY 36 H GLY 36 -12.261 7.140 -5.225 276 HA2 GLY 36 1HA GLY 36 -10.572 6.454 -3.500 277 HA3 GLY 36 2HA GLY 36 -11.908 6.515 -2.359 278 H ALA 37 H ALA 37 -12.172 5.280 -5.633 279 HA ALA 37 HA ALA 37 -13.007 2.705 -4.554 280 HB1 ALA 37 1HB ALA 37 -13.347 4.114 -7.150 281 HB2 ALA 37 2HB ALA 37 -13.427 2.352 -7.134 282 HB3 ALA 37 3HB ALA 37 -14.540 3.293 -6.143 283 H VAL 38 H VAL 38 -10.630 4.011 -6.845 284 HA VAL 38 HA VAL 38 -9.443 1.739 -7.783 285 HB VAL 38 HB VAL 38 -8.054 4.283 -6.931 286 HG11 VAL 38 1HG1 VAL 38 -7.091 1.955 -8.576 287 HG12 VAL 38 2HG1 VAL 38 -6.332 3.547 -8.622 288 HG13 VAL 38 3HG1 VAL 38 -6.368 2.629 -7.116 289 HG21 VAL 38 1HG2 VAL 38 -8.901 5.217 -8.760 290 HG22 VAL 38 2HG2 VAL 38 -8.312 3.890 -9.762 291 HG23 VAL 38 3HG2 VAL 38 -9.893 3.778 -8.990 292 H ILE 39 H ILE 39 -8.169 3.519 -4.963 293 HA ILE 39 HA ILE 39 -6.369 1.623 -4.092 294 HB ILE 39 HB ILE 39 -6.445 3.860 -3.138 295 HG12 ILE 39 1HG1 ILE 39 -6.537 3.065 -0.611 296 HG13 ILE 39 2HG1 ILE 39 -6.630 1.471 -1.353 297 HG21 ILE 39 1HG2 ILE 39 -8.991 2.968 -1.790 298 HG22 ILE 39 2HG2 ILE 39 -8.157 4.496 -1.515 299 HG23 ILE 39 3HG2 ILE 39 -8.867 4.151 -3.092 300 HD11 ILE 39 1HD1 ILE 39 -4.559 2.583 -2.714 301 HD12 ILE 39 2HD1 ILE 39 -4.375 3.311 -1.117 302 HD13 ILE 39 3HD1 ILE 39 -4.403 1.557 -1.288 303 H THR 40 H THR 40 -9.814 1.891 -3.335 304 HA THR 40 HA THR 40 -9.995 -0.092 -1.389 305 HB THR 40 HB THR 40 -12.056 0.669 -3.469 306 HG1 THR 40 1HG THR 40 -11.236 2.318 -1.934 307 HG21 THR 40 1HG2 THR 40 -12.096 -1.499 -1.723 308 HG22 THR 40 2HG2 THR 40 -13.479 -0.789 -2.555 309 HG23 THR 40 3HG2 THR 40 -13.068 -0.266 -0.922 310 H GLN 41 H GLN 41 -10.417 -0.381 -4.913 311 HA GLN 41 HA GLN 41 -11.033 -3.053 -5.101 312 HB2 GLN 41 1HB GLN 41 -11.078 -1.673 -7.059 313 HB3 GLN 41 2HB GLN 41 -9.358 -1.332 -6.927 314 HG2 GLN 41 1HG GLN 41 -10.337 -4.131 -7.311 315 HG3 GLN 41 2HG GLN 41 -10.166 -3.033 -8.679 316 HE21 GLN 41 1HE2 GLN 41 -8.708 -5.506 -7.434 317 HE22 GLN 41 2HE2 GLN 41 -7.044 -5.085 -7.627 318 H ILE 42 H ILE 42 -7.783 -1.608 -5.043 319 HA ILE 42 HA ILE 42 -6.359 -4.027 -5.206 320 HB ILE 42 HB ILE 42 -5.465 -1.467 -3.877 321 HG12 ILE 42 1HG1 ILE 42 -4.696 -2.219 -6.661 322 HG13 ILE 42 2HG1 ILE 42 -6.301 -1.545 -6.396 323 HG21 ILE 42 1HG2 ILE 42 -3.946 -3.140 -3.258 324 HG22 ILE 42 2HG2 ILE 42 -4.007 -3.904 -4.845 325 HG23 ILE 42 3HG2 ILE 42 -3.196 -2.350 -4.645 326 HD11 ILE 42 1HD1 ILE 42 -3.965 -0.126 -5.237 327 HD12 ILE 42 2HD1 ILE 42 -4.249 -0.018 -6.974 328 HD13 ILE 42 3HD1 ILE 42 -5.494 0.512 -5.843 329 H ARG 43 H ARG 43 -7.337 -2.082 -2.398 330 HA ARG 43 HA ARG 43 -6.139 -3.536 -0.382 331 HB2 ARG 43 1HB ARG 43 -8.620 -1.880 -0.539 332 HB3 ARG 43 2HB ARG 43 -8.328 -2.822 0.917 333 HG2 ARG 43 1HG ARG 43 -6.244 -1.689 1.300 334 HG3 ARG 43 2HG ARG 43 -6.385 -0.835 -0.238 335 HD2 ARG 43 1HD ARG 43 -7.128 0.761 1.249 336 HD3 ARG 43 2HD ARG 43 -8.642 0.007 0.750 337 HE ARG 43 HE ARG 43 -7.403 -0.128 3.359 338 HH11 ARG 43 1HH1 ARG 43 -9.748 -1.487 1.175 339 HH12 ARG 43 2HH1 ARG 43 -10.685 -2.224 2.433 340 HH21 ARG 43 1HH2 ARG 43 -8.628 -1.093 5.023 341 HH22 ARG 43 2HH2 ARG 43 -10.047 -1.998 4.621 342 H LEU 44 H LEU 44 -9.180 -4.169 -2.059 343 HA LEU 44 HA LEU 44 -9.799 -6.458 -0.418 344 HB2 LEU 44 1HB LEU 44 -11.031 -5.243 -2.869 345 HB3 LEU 44 2HB LEU 44 -11.578 -6.793 -2.234 346 HG LEU 44 HG LEU 44 -11.549 -4.312 -0.541 347 HD11 LEU 44 1HD1 LEU 44 -13.707 -5.273 -2.409 348 HD12 LEU 44 2HD1 LEU 44 -12.885 -3.713 -2.427 349 HD13 LEU 44 3HD1 LEU 44 -13.973 -4.121 -1.099 350 HD21 LEU 44 1HD2 LEU 44 -12.133 -7.037 -0.085 351 HD22 LEU 44 2HD2 LEU 44 -13.661 -6.159 -0.027 352 HD23 LEU 44 3HD2 LEU 44 -12.327 -5.678 1.023 353 H GLU 45 H GLU 45 -8.479 -5.858 -3.632 354 HA GLU 45 HA GLU 45 -8.529 -8.410 -4.692 355 HB2 GLU 45 1HB GLU 45 -7.811 -6.386 -5.922 356 HB3 GLU 45 2HB GLU 45 -6.315 -6.373 -4.996 357 HG2 GLU 45 1HG GLU 45 -5.680 -8.512 -5.949 358 HG3 GLU 45 2HG GLU 45 -7.199 -8.582 -6.840 359 H HIS 46 H HIS 46 -5.996 -6.937 -2.676 360 HA HIS 46 HA HIS 46 -4.696 -9.538 -2.403 361 HB2 HIS 46 1HB HIS 46 -3.827 -6.834 -1.363 362 HB3 HIS 46 2HB HIS 46 -2.866 -8.309 -1.349 363 HD1 HIS 46 1HD HIS 46 -2.480 -9.318 -3.914 364 HD2 HIS 46 2HD HIS 46 -3.320 -5.270 -3.505 365 HE1 HIS 46 1HE HIS 46 -1.709 -8.251 -6.057 366 H ASP 47 H ASP 47 -7.040 -7.751 -0.849 367 HA ASP 47 HA ASP 47 -8.113 -7.970 1.145 368 HB2 ASP 47 1HB ASP 47 -7.666 -10.457 0.525 369 HB3 ASP 47 2HB ASP 47 -6.442 -10.381 1.789 370 H VAL 48 H VAL 48 -5.732 -6.382 0.964 371 HA VAL 48 HA VAL 48 -4.699 -6.626 3.716 372 HB VAL 48 HB VAL 48 -2.725 -5.332 2.932 373 HG11 VAL 48 1HG1 VAL 48 -1.651 -7.189 1.767 374 HG12 VAL 48 2HG1 VAL 48 -2.647 -7.770 3.103 375 HG13 VAL 48 3HG1 VAL 48 -3.228 -7.909 1.443 376 HG21 VAL 48 1HG2 VAL 48 -2.741 -4.315 0.959 377 HG22 VAL 48 2HG2 VAL 48 -2.896 -5.872 0.146 378 HG23 VAL 48 3HG2 VAL 48 -4.341 -4.981 0.625 379 H ASN 49 H ASN 49 -3.993 -4.492 4.656 380 HA ASN 49 HA ASN 49 -6.046 -2.473 4.065 381 HB2 ASN 49 1HB ASN 49 -6.214 -3.262 6.323 382 HB3 ASN 49 2HB ASN 49 -4.484 -3.060 6.584 383 HD21 ASN 49 1HD2 ASN 49 -3.930 -1.330 7.675 384 HD22 ASN 49 2HD2 ASN 49 -4.824 0.145 7.777 385 H ILE 50 H ILE 50 -5.439 -0.644 3.127 386 HA ILE 50 HA ILE 50 -2.612 0.168 3.332 387 HB ILE 50 HB ILE 50 -4.501 0.762 1.053 388 HG12 ILE 50 1HG1 ILE 50 -2.110 -1.043 0.871 389 HG13 ILE 50 2HG1 ILE 50 -3.652 -1.677 1.438 390 HG21 ILE 50 1HG2 ILE 50 -1.629 1.010 0.613 391 HG22 ILE 50 2HG2 ILE 50 -2.939 2.114 0.201 392 HG23 ILE 50 3HG2 ILE 50 -2.253 2.128 1.825 393 HD11 ILE 50 1HD1 ILE 50 -4.492 -0.471 -0.782 394 HD12 ILE 50 2HD1 ILE 50 -2.829 -0.814 -1.260 395 HD13 ILE 50 3HD1 ILE 50 -3.891 -2.129 -0.757 396 H GLN 51 H GLN 51 -2.384 1.871 4.614 397 HA GLN 51 HA GLN 51 -4.423 3.994 4.500 398 HB2 GLN 51 1HB GLN 51 -4.217 2.538 6.657 399 HB3 GLN 51 2HB GLN 51 -2.781 3.506 6.960 400 HG2 GLN 51 1HG GLN 51 -4.180 5.543 6.789 401 HG3 GLN 51 2HG GLN 51 -5.598 4.508 6.638 402 HE21 GLN 51 1HE2 GLN 51 -6.334 5.640 8.546 403 HE22 GLN 51 2HE2 GLN 51 -5.803 5.114 10.104 404 H PHE 52 H PHE 52 -3.722 6.075 4.343 405 HA PHE 52 HA PHE 52 -0.848 6.426 3.877 406 HB2 PHE 52 1HB PHE 52 -3.160 8.224 3.114 407 HB3 PHE 52 2HB PHE 52 -1.473 8.470 2.672 408 HD1 PHE 52 2HD PHE 52 -4.491 6.505 2.053 409 HD2 PHE 52 1HD PHE 52 -0.424 7.127 0.965 410 HE1 PHE 52 2HE PHE 52 -4.832 5.157 0.024 411 HE2 PHE 52 1HE PHE 52 -0.758 5.781 -1.068 412 HZ PHE 52 HZ PHE 52 -2.964 4.793 -1.540 413 HA PRO 53 HA PRO 53 -0.264 8.859 7.485 414 HB2 PRO 53 1HB PRO 53 1.664 10.573 6.638 415 HB3 PRO 53 2HB PRO 53 1.974 8.865 6.966 416 HG2 PRO 53 1HG PRO 53 1.497 10.234 4.348 417 HG3 PRO 53 2HG PRO 53 2.693 8.991 4.758 418 HD2 PRO 53 1HD PRO 53 0.384 8.421 3.462 419 HD3 PRO 53 2HD PRO 53 1.159 7.280 4.578 420 H ASP 54 H ASP 54 -0.384 11.058 8.344 421 HA ASP 54 HA ASP 54 -2.165 12.742 6.718 422 HB2 ASP 54 1HB ASP 54 -2.794 11.748 9.077 423 HB3 ASP 54 2HB ASP 54 -1.850 13.112 9.670 424 H LYS 55 H LYS 55 -1.430 14.620 5.995 425 HA LYS 55 HA LYS 55 1.190 15.514 6.396 426 HB2 LYS 55 1HB LYS 55 0.458 17.585 5.271 427 HB3 LYS 55 2HB LYS 55 -0.086 16.141 4.427 428 HG2 LYS 55 1HG LYS 55 -2.250 16.513 5.875 429 HG3 LYS 55 2HG LYS 55 -1.656 18.174 5.921 430 HD2 LYS 55 1HD LYS 55 -1.989 16.611 3.367 431 HD3 LYS 55 2HD LYS 55 -3.257 17.634 4.046 432 HE2 LYS 55 1HE LYS 55 -1.649 19.538 3.990 433 HE3 LYS 55 2HE LYS 55 -0.509 18.490 3.149 434 HZ1 LYS 55 1HZ LYS 55 -3.209 18.759 2.048 435 HZ2 LYS 55 2HZ LYS 55 -1.737 18.520 1.249 436 HZ3 LYS 55 3HZ LYS 55 -2.137 20.052 1.844 437 H ASP 56 H ASP 56 -1.862 16.655 7.809 438 HA ASP 56 HA ASP 56 -0.966 18.811 9.261 439 HB2 ASP 56 1HB ASP 56 -3.349 17.749 9.036 440 HB3 ASP 56 2HB ASP 56 -2.908 16.903 10.516 441 H ASP 57 H ASP 57 -0.869 15.389 10.174 442 HA ASP 57 HA ASP 57 -0.016 15.535 12.770 443 HB2 ASP 57 1HB ASP 57 -0.394 13.491 11.135 444 HB3 ASP 57 2HB ASP 57 1.359 13.582 10.976 445 H GLY 58 H GLY 58 2.230 15.193 10.012 446 HA2 GLY 58 1HA GLY 58 4.186 16.447 9.648 447 HA3 GLY 58 2HA GLY 58 4.040 17.102 11.273 448 H ASN 59 H ASN 59 4.542 15.633 13.075 449 HA ASN 59 HA ASN 59 7.026 14.634 13.105 450 HB2 ASN 59 1HB ASN 59 4.587 13.628 14.561 451 HB3 ASN 59 2HB ASN 59 6.188 12.962 14.869 452 HD21 ASN 59 1HD2 ASN 59 7.770 14.273 15.810 453 HD22 ASN 59 2HD2 ASN 59 7.358 15.717 16.665 454 H GLN 60 H GLN 60 4.207 12.973 11.835 455 HA GLN 60 HA GLN 60 5.731 10.558 11.291 456 HB2 GLN 60 1HB GLN 60 2.860 11.268 10.661 457 HB3 GLN 60 2HB GLN 60 3.595 9.692 10.395 458 HG2 GLN 60 1HG GLN 60 3.919 9.389 12.757 459 HG3 GLN 60 2HG GLN 60 3.345 11.023 13.081 460 HE21 GLN 60 1HE2 GLN 60 1.146 11.198 11.503 461 HE22 GLN 60 2HE2 GLN 60 -0.048 10.061 12.016 462 HA PRO 61 HA PRO 61 6.854 11.542 7.163 463 HB2 PRO 61 1HB PRO 61 6.827 9.074 6.033 464 HB3 PRO 61 2HB PRO 61 8.076 9.596 7.169 465 HG2 PRO 61 1HG PRO 61 5.647 7.919 7.666 466 HG3 PRO 61 2HG PRO 61 7.302 7.697 8.264 467 HD2 PRO 61 1HD PRO 61 5.336 8.778 9.781 468 HD3 PRO 61 2HD PRO 61 7.038 9.257 9.941 469 H GLN 62 H GLN 62 5.849 12.224 5.359 470 HA GLN 62 HA GLN 62 3.052 11.463 4.985 471 HB2 GLN 62 1HB GLN 62 4.647 13.695 3.718 472 HB3 GLN 62 2HB GLN 62 2.922 13.426 3.512 473 HG2 GLN 62 1HG GLN 62 4.407 14.374 5.927 474 HG3 GLN 62 2HG GLN 62 3.037 15.113 5.098 475 HE21 GLN 62 1HE2 GLN 62 3.678 14.046 7.922 476 HE22 GLN 62 2HE2 GLN 62 2.258 13.151 8.332 477 H ASP 63 H ASP 63 6.165 11.097 3.545 478 HA ASP 63 HA ASP 63 5.105 10.278 0.971 479 HB2 ASP 63 1HB ASP 63 7.283 10.319 0.188 480 HB3 ASP 63 2HB ASP 63 7.362 11.519 1.475 481 H GLN 64 H GLN 64 5.696 8.858 3.970 482 HA GLN 64 HA GLN 64 6.215 6.202 2.889 483 HB2 GLN 64 1HB GLN 64 6.031 7.260 5.709 484 HB3 GLN 64 2HB GLN 64 6.245 5.556 5.334 485 HG2 GLN 64 1HG GLN 64 8.137 7.500 4.131 486 HG3 GLN 64 2HG GLN 64 8.285 7.141 5.851 487 HE21 GLN 64 1HE2 GLN 64 8.011 5.560 2.697 488 HE22 GLN 64 2HE2 GLN 64 9.036 4.224 3.081 489 H ILE 65 H ILE 65 4.732 4.634 2.692 490 HA ILE 65 HA ILE 65 1.998 5.237 3.604 491 HB ILE 65 HB ILE 65 2.803 3.330 1.407 492 HG12 ILE 65 1HG1 ILE 65 1.605 6.084 1.086 493 HG13 ILE 65 2HG1 ILE 65 3.333 5.767 0.962 494 HG21 ILE 65 1HG2 ILE 65 0.388 3.536 0.804 495 HG22 ILE 65 2HG2 ILE 65 0.689 2.736 2.345 496 HG23 ILE 65 3HG2 ILE 65 0.143 4.413 2.314 497 HD11 ILE 65 1HD1 ILE 65 2.392 5.859 -1.233 498 HD12 ILE 65 2HD1 ILE 65 2.851 4.190 -0.887 499 HD13 ILE 65 3HD1 ILE 65 1.157 4.676 -0.803 500 H THR 66 H THR 66 1.126 3.991 5.120 501 HA THR 66 HA THR 66 2.577 1.648 6.043 502 HB THR 66 HB THR 66 0.006 2.499 7.296 503 HG1 THR 66 1HG THR 66 0.786 4.469 7.459 504 HG21 THR 66 1HG2 THR 66 2.547 1.182 8.100 505 HG22 THR 66 2HG2 THR 66 0.883 0.776 8.517 506 HG23 THR 66 3HG2 THR 66 1.688 2.125 9.317 507 H ILE 67 H ILE 67 1.915 -0.422 5.852 508 HA ILE 67 HA ILE 67 -0.791 -0.986 4.903 509 HB ILE 67 HB ILE 67 1.673 -2.060 3.525 510 HG12 ILE 67 1HG1 ILE 67 -0.476 -0.248 2.416 511 HG13 ILE 67 2HG1 ILE 67 1.071 0.333 3.020 512 HG21 ILE 67 1HG2 ILE 67 -0.643 -3.384 3.824 513 HG22 ILE 67 2HG2 ILE 67 -1.019 -2.445 2.380 514 HG23 ILE 67 3HG2 ILE 67 0.376 -3.524 2.392 515 HD11 ILE 67 1HD1 ILE 67 0.550 -1.407 0.633 516 HD12 ILE 67 2HD1 ILE 67 1.277 0.200 0.683 517 HD13 ILE 67 3HD1 ILE 67 2.156 -1.188 1.326 518 H THR 68 H THR 68 -1.650 -2.589 6.039 519 HA THR 68 HA THR 68 0.152 -4.389 7.509 520 HB THR 68 HB THR 68 -2.778 -3.911 8.065 521 HG1 THR 68 1HG THR 68 -0.632 -2.816 9.558 522 HG21 THR 68 1HG2 THR 68 -1.872 -6.011 8.945 523 HG22 THR 68 2HG2 THR 68 -2.247 -4.884 10.248 524 HG23 THR 68 3HG2 THR 68 -0.575 -5.121 9.740 525 H GLY 69 H GLY 69 -0.391 -6.637 7.676 526 HA2 GLY 69 1HA GLY 69 -2.193 -8.274 6.842 527 HA3 GLY 69 2HA GLY 69 -1.786 -7.603 5.269 528 H TYR 70 H TYR 70 -1.492 -10.133 5.198 529 HA TYR 70 HA TYR 70 0.726 -11.380 6.304 530 HB2 TYR 70 1HB TYR 70 -0.703 -11.829 3.686 531 HB3 TYR 70 2HB TYR 70 0.608 -12.867 4.236 532 HD1 TYR 70 1HD TYR 70 -2.769 -11.622 5.148 533 HD2 TYR 70 2HD TYR 70 0.201 -14.607 5.762 534 HE1 TYR 70 1HE TYR 70 -4.376 -12.943 6.461 535 HE2 TYR 70 2HE TYR 70 -1.398 -15.936 7.076 536 HH TYR 70 HH TYR 70 -3.930 -16.150 7.224 537 H GLU 71 H GLU 71 2.831 -11.050 6.096 538 HA GLU 71 HA GLU 71 4.149 -9.105 4.839 539 HB2 GLU 71 1HB GLU 71 5.372 -10.600 6.234 540 HB3 GLU 71 2HB GLU 71 5.037 -11.966 5.180 541 HG2 GLU 71 1HG GLU 71 6.424 -10.954 3.436 542 HG3 GLU 71 2HG GLU 71 6.776 -9.602 4.510 543 H LYS 72 H LYS 72 2.939 -12.001 3.283 544 HA LYS 72 HA LYS 72 4.223 -11.458 0.766 545 HB2 LYS 72 1HB LYS 72 2.027 -13.396 1.513 546 HB3 LYS 72 2HB LYS 72 2.800 -13.327 -0.065 547 HG2 LYS 72 1HG LYS 72 4.398 -13.746 2.434 548 HG3 LYS 72 2HG LYS 72 3.607 -15.089 1.604 549 HD2 LYS 72 1HD LYS 72 4.795 -14.274 -0.499 550 HD3 LYS 72 2HD LYS 72 5.768 -13.267 0.576 551 HE2 LYS 72 1HE LYS 72 5.479 -16.186 1.141 552 HE3 LYS 72 2HE LYS 72 6.593 -15.650 -0.116 553 HZ1 LYS 72 1HZ LYS 72 8.041 -14.925 1.393 554 HZ2 LYS 72 2HZ LYS 72 7.163 -15.819 2.529 555 HZ3 LYS 72 3HZ LYS 72 6.852 -14.168 2.327 556 H ASN 73 H ASN 73 0.765 -11.725 1.610 557 HA ASN 73 HA ASN 73 -0.349 -10.620 -0.611 558 HB2 ASN 73 1HB ASN 73 -1.183 -10.337 2.277 559 HB3 ASN 73 2HB ASN 73 -2.175 -9.760 0.941 560 HD21 ASN 73 1HD2 ASN 73 -3.763 -11.252 1.755 561 HD22 ASN 73 2HD2 ASN 73 -3.674 -12.920 1.313 562 H THR 74 H THR 74 1.069 -8.884 2.117 563 HA THR 74 HA THR 74 0.316 -6.293 1.529 564 HB THR 74 HB THR 74 2.393 -5.560 2.660 565 HG1 THR 74 1HG THR 74 3.021 -8.321 2.418 566 HG21 THR 74 1HG2 THR 74 1.291 -5.956 4.554 567 HG22 THR 74 2HG2 THR 74 1.814 -7.641 4.527 568 HG23 THR 74 3HG2 THR 74 0.318 -7.168 3.723 569 H GLU 75 H GLU 75 3.441 -7.751 0.595 570 HA GLU 75 HA GLU 75 4.423 -5.801 -1.022 571 HB2 GLU 75 1HB GLU 75 4.549 -8.744 -1.694 572 HB3 GLU 75 2HB GLU 75 5.687 -7.500 -2.193 573 HG2 GLU 75 1HG GLU 75 5.904 -7.178 0.427 574 HG3 GLU 75 2HG GLU 75 5.383 -8.862 0.419 575 H ALA 76 H ALA 76 2.343 -8.472 -2.142 576 HA ALA 76 HA ALA 76 2.071 -7.840 -4.781 577 HB1 ALA 76 1HB ALA 76 -0.347 -8.639 -3.205 578 HB2 ALA 76 2HB ALA 76 0.146 -9.141 -4.822 579 HB3 ALA 76 3HB ALA 76 1.009 -9.748 -3.409 580 H ALA 77 H ALA 77 0.673 -6.178 -2.047 581 HA ALA 77 HA ALA 77 -1.011 -4.516 -3.744 582 HB1 ALA 77 1HB ALA 77 -0.723 -3.833 -0.893 583 HB2 ALA 77 2HB ALA 77 -2.173 -3.992 -1.886 584 HB3 ALA 77 3HB ALA 77 -1.386 -5.430 -1.238 585 H ARG 78 H ARG 78 1.831 -4.195 -1.652 586 HA ARG 78 HA ARG 78 2.158 -1.420 -1.892 587 HB2 ARG 78 1HB ARG 78 4.156 -1.703 -0.793 588 HB3 ARG 78 2HB ARG 78 3.353 -3.210 -0.371 589 HG2 ARG 78 1HG ARG 78 5.370 -4.033 -1.002 590 HG3 ARG 78 2HG ARG 78 4.563 -4.044 -2.571 591 HD2 ARG 78 1HD ARG 78 5.532 -1.586 -2.679 592 HD3 ARG 78 2HD ARG 78 6.699 -2.253 -1.537 593 HE ARG 78 HE ARG 78 6.286 -3.811 -3.941 594 HH11 ARG 78 1HH1 ARG 78 8.152 -1.339 -2.352 595 HH12 ARG 78 2HH1 ARG 78 9.530 -1.530 -3.385 596 HH21 ARG 78 1HH2 ARG 78 8.093 -4.074 -5.309 597 HH22 ARG 78 2HH2 ARG 78 9.493 -3.086 -5.067 598 H ASP 79 H ASP 79 2.788 -3.987 -4.098 599 HA ASP 79 HA ASP 79 4.755 -2.708 -5.694 600 HB2 ASP 79 1HB ASP 79 4.217 -5.174 -5.692 601 HB3 ASP 79 2HB ASP 79 2.763 -4.789 -6.610 602 H ALA 80 H ALA 80 1.237 -2.737 -5.728 603 HA ALA 80 HA ALA 80 0.842 -1.506 -8.222 604 HB1 ALA 80 1HB ALA 80 -1.142 -2.304 -7.494 605 HB2 ALA 80 2HB ALA 80 -0.781 -1.967 -5.800 606 HB3 ALA 80 3HB ALA 80 -1.315 -0.665 -6.864 607 H ILE 81 H ILE 81 0.761 -0.034 -4.970 608 HA ILE 81 HA ILE 81 0.387 2.575 -5.521 609 HB ILE 81 HB ILE 81 2.486 1.523 -3.619 610 HG12 ILE 81 1HG1 ILE 81 -0.398 2.280 -3.105 611 HG13 ILE 81 2HG1 ILE 81 0.184 0.628 -3.277 612 HG21 ILE 81 1HG2 ILE 81 2.092 4.130 -4.399 613 HG22 ILE 81 2HG2 ILE 81 1.133 4.006 -2.924 614 HG23 ILE 81 3HG2 ILE 81 2.850 3.604 -2.895 615 HD11 ILE 81 1HD1 ILE 81 1.832 1.510 -1.346 616 HD12 ILE 81 2HD1 ILE 81 0.400 2.485 -1.014 617 HD13 ILE 81 3HD1 ILE 81 0.281 0.726 -1.041 618 H LEU 82 H LEU 82 3.377 0.786 -6.051 619 HA LEU 82 HA LEU 82 4.807 3.135 -6.938 620 HB2 LEU 82 1HB LEU 82 5.649 0.264 -7.244 621 HB3 LEU 82 2HB LEU 82 6.674 1.697 -7.250 622 HG LEU 82 HG LEU 82 5.148 0.744 -4.832 623 HD11 LEU 82 1HD1 LEU 82 7.989 0.199 -5.669 624 HD12 LEU 82 2HD1 LEU 82 6.708 -0.981 -5.396 625 HD13 LEU 82 3HD1 LEU 82 7.364 -0.063 -4.042 626 HD21 LEU 82 1HD2 LEU 82 5.752 2.706 -3.991 627 HD22 LEU 82 2HD2 LEU 82 6.640 3.112 -5.460 628 HD23 LEU 82 3HD2 LEU 82 7.439 2.220 -4.165 629 H ARG 83 H ARG 83 3.476 0.197 -8.416 630 HA ARG 83 HA ARG 83 4.304 0.502 -11.015 631 HB2 ARG 83 1HB ARG 83 2.740 -1.277 -9.830 632 HB3 ARG 83 2HB ARG 83 1.467 -0.297 -10.546 633 HG2 ARG 83 1HG ARG 83 2.096 -0.824 -12.707 634 HG3 ARG 83 2HG ARG 83 3.735 -1.268 -12.229 635 HD2 ARG 83 1HD ARG 83 1.476 -2.852 -11.127 636 HD3 ARG 83 2HD ARG 83 1.904 -3.088 -12.821 637 HE ARG 83 HE ARG 83 4.128 -3.223 -10.986 638 HH11 ARG 83 1HH1 ARG 83 1.611 -4.989 -12.619 639 HH12 ARG 83 2HH1 ARG 83 2.422 -6.515 -12.495 640 HH21 ARG 83 1HH2 ARG 83 5.205 -5.226 -10.817 641 HH22 ARG 83 2HH2 ARG 83 4.465 -6.649 -11.469 642 H ILE 84 H ILE 84 1.953 2.368 -9.273 643 HA ILE 84 HA ILE 84 0.834 3.594 -11.638 644 HB ILE 84 HB ILE 84 0.501 4.468 -8.769 645 HG12 ILE 84 1HG1 ILE 84 -1.517 2.813 -10.236 646 HG13 ILE 84 2HG1 ILE 84 -0.141 2.017 -9.482 647 HG21 ILE 84 1HG2 ILE 84 -0.950 5.997 -9.507 648 HG22 ILE 84 2HG2 ILE 84 -0.236 5.729 -11.095 649 HG23 ILE 84 3HG2 ILE 84 -1.702 4.866 -10.632 650 HD11 ILE 84 1HD1 ILE 84 -2.553 2.770 -8.289 651 HD12 ILE 84 2HD1 ILE 84 -1.117 2.116 -7.503 652 HD13 ILE 84 3HD1 ILE 84 -1.328 3.861 -7.642 653 H VAL 85 H VAL 85 2.408 5.026 -8.774 654 HA VAL 85 HA VAL 85 2.952 7.514 -9.564 655 HB VAL 85 HB VAL 85 4.850 5.625 -8.181 656 HG11 VAL 85 1HG1 VAL 85 5.795 7.994 -7.422 657 HG12 VAL 85 2HG1 VAL 85 6.418 7.138 -8.834 658 HG13 VAL 85 3HG1 VAL 85 5.241 8.436 -9.037 659 HG21 VAL 85 1HG2 VAL 85 2.576 6.471 -7.214 660 HG22 VAL 85 2HG2 VAL 85 4.015 6.447 -6.196 661 HG23 VAL 85 3HG2 VAL 85 3.477 7.959 -6.926 662 H GLY 86 H GLY 86 4.648 4.651 -10.739 663 HA2 GLY 86 1HA GLY 86 6.724 5.880 -12.135 664 HA3 GLY 86 2HA GLY 86 6.003 4.336 -12.564 665 H GLU 87 H GLU 87 3.482 5.004 -13.319 666 HA GLU 87 HA GLU 87 3.938 6.134 -15.904 667 HB2 GLU 87 1HB GLU 87 1.848 5.357 -16.457 668 HB3 GLU 87 2HB GLU 87 2.226 4.299 -15.105 669 HG2 GLU 87 1HG GLU 87 0.902 5.657 -13.617 670 HG3 GLU 87 2HG GLU 87 0.598 6.822 -14.904 671 H LEU 88 H LEU 88 2.283 7.201 -12.969 672 HA LEU 88 HA LEU 88 1.035 9.483 -13.879 673 HB2 LEU 88 1HB LEU 88 2.479 9.310 -11.247 674 HB3 LEU 88 2HB LEU 88 1.061 10.280 -11.638 675 HG LEU 88 HG LEU 88 1.124 7.268 -11.457 676 HD11 LEU 88 1HD1 LEU 88 0.554 7.410 -9.303 677 HD12 LEU 88 2HD1 LEU 88 -0.538 8.765 -9.585 678 HD13 LEU 88 3HD1 LEU 88 1.190 9.054 -9.380 679 HD21 LEU 88 1HD2 LEU 88 -1.200 9.162 -11.793 680 HD22 LEU 88 2HD2 LEU 88 -1.286 7.405 -11.660 681 HD23 LEU 88 3HD2 LEU 88 -0.519 8.147 -13.066 682 H GLU 89 H GLU 89 4.328 9.273 -12.526 683 HA GLU 89 HA GLU 89 5.123 11.880 -12.793 684 HB2 GLU 89 1HB GLU 89 6.391 9.723 -11.963 685 HB3 GLU 89 2HB GLU 89 7.043 9.734 -13.596 686 HG2 GLU 89 1HG GLU 89 7.195 12.070 -11.708 687 HG3 GLU 89 2HG GLU 89 8.467 10.865 -11.902 688 H GLN 90 H GLN 90 5.343 9.344 -15.278 689 HA GLN 90 HA GLN 90 6.504 10.889 -17.290 690 HB2 GLN 90 1HB GLN 90 4.606 8.549 -17.504 691 HB3 GLN 90 2HB GLN 90 5.501 9.222 -18.860 692 HG2 GLN 90 1HG GLN 90 7.578 8.780 -17.360 693 HG3 GLN 90 2HG GLN 90 6.497 7.671 -16.516 694 HE21 GLN 90 1HE2 GLN 90 8.849 7.679 -18.655 695 HE22 GLN 90 2HE2 GLN 90 8.373 6.379 -19.689 696 H MET 91 H MET 91 3.052 10.146 -16.786 697 HA MET 91 HA MET 91 1.854 11.462 -18.803 698 HB2 MET 91 1HB MET 91 1.077 11.445 -15.889 699 HB3 MET 91 2HB MET 91 0.036 12.097 -17.147 700 HG2 MET 91 1HG MET 91 -0.249 9.995 -18.151 701 HG3 MET 91 2HG MET 91 1.091 9.294 -17.248 702 HE1 MET 91 1HE MET 91 -2.061 11.154 -17.080 703 HE2 MET 91 2HE MET 91 -3.160 9.974 -16.365 704 HE3 MET 91 3HE MET 91 -2.386 11.189 -15.347 705 H SER 92 H SER 92 2.653 13.084 -15.724 706 HA SER 92 HA SER 92 2.066 15.679 -16.627 707 HB2 SER 92 1HB SER 92 3.677 14.583 -14.342 708 HB3 SER 92 2HB SER 92 3.672 16.315 -14.669 709 HG SER 92 HG SER 92 1.260 15.998 -14.669 710 H GLY 93 H GLY 93 3.031 16.668 -18.274 711 HA2 GLY 93 1HA GLY 93 4.904 17.889 -19.105 712 HA3 GLY 93 2HA GLY 93 5.967 16.722 -18.332 713 HA PRO 94 HA PRO 94 4.755 15.639 -22.891 714 HB2 PRO 94 1HB PRO 94 6.415 17.221 -24.345 715 HB3 PRO 94 2HB PRO 94 4.762 17.690 -23.927 716 HG2 PRO 94 1HG PRO 94 7.341 18.483 -22.630 717 HG3 PRO 94 2HG PRO 94 5.933 19.485 -23.025 718 HD2 PRO 94 1HD PRO 94 6.403 18.554 -20.526 719 HD3 PRO 94 2HD PRO 94 4.763 18.798 -21.162 720 H SER 95 H SER 95 6.086 14.372 -24.283 721 HA SER 95 HA SER 95 8.472 13.377 -22.953 722 HB2 SER 95 1HB SER 95 6.732 12.386 -25.189 723 HB3 SER 95 2HB SER 95 8.345 11.713 -24.963 724 HG SER 95 HG SER 95 6.441 11.873 -22.874 725 H SER 96 H SER 96 10.494 13.810 -23.555 726 HA SER 96 HA SER 96 11.148 15.820 -25.357 727 HB2 SER 96 1HB SER 96 12.724 15.221 -23.656 728 HB3 SER 96 2HB SER 96 12.819 13.560 -24.243 729 HG SER 96 HG SER 96 14.164 14.165 -25.759 730 H GLY 97 H GLY 97 11.349 12.291 -25.796 731 HA2 GLY 97 1HA GLY 97 10.475 11.591 -28.064 732 HA3 GLY 97 2HA GLY 97 11.613 12.770 -28.698 Start of MODEL 18 1 H1 GLY 1 H GLY 1 4.214 -36.417 -5.472 2 HA2 GLY 1 1HA GLY 1 5.931 -34.371 -4.876 3 HA3 GLY 1 2HA GLY 1 4.347 -33.612 -4.877 4 H SER 2 H SER 2 6.525 -35.684 -3.195 5 HA SER 2 HA SER 2 4.536 -36.353 -1.163 6 HB2 SER 2 1HB SER 2 6.288 -37.784 -0.206 7 HB3 SER 2 2HB SER 2 6.064 -38.129 -1.921 8 HG SER 2 HG SER 2 7.870 -36.375 -2.015 9 H SER 3 H SER 3 4.276 -34.137 -0.463 10 HA SER 3 HA SER 3 6.428 -33.304 1.367 11 HB2 SER 3 1HB SER 3 6.048 -31.874 -0.776 12 HB3 SER 3 2HB SER 3 4.606 -31.301 0.062 13 HG SER 3 HG SER 3 5.891 -30.506 1.696 14 H GLY 4 H GLY 4 5.756 -32.219 3.286 15 HA2 GLY 4 1HA GLY 4 3.144 -31.634 4.033 16 HA3 GLY 4 2HA GLY 4 3.413 -33.320 4.448 17 H SER 5 H SER 5 4.081 -30.035 5.249 18 HA SER 5 HA SER 5 5.638 -30.936 7.586 19 HB2 SER 5 1HB SER 5 5.928 -28.540 5.817 20 HB3 SER 5 2HB SER 5 6.385 -28.404 7.515 21 HG SER 5 HG SER 5 8.199 -29.203 6.774 22 H SER 6 H SER 6 2.893 -31.014 7.700 23 HA SER 6 HA SER 6 1.551 -28.743 8.551 24 HB2 SER 6 1HB SER 6 0.594 -31.065 8.109 25 HB3 SER 6 2HB SER 6 1.102 -31.479 9.746 26 HG SER 6 HG SER 6 -0.932 -30.765 10.001 27 H GLY 7 H GLY 7 0.836 -28.197 10.769 28 HA2 GLY 7 1HA GLY 7 2.058 -29.030 13.112 29 HA3 GLY 7 2HA GLY 7 3.088 -27.767 12.453 30 H GLU 8 H GLU 8 2.620 -25.726 12.960 31 HA GLU 8 HA GLU 8 -0.095 -25.128 13.934 32 HB2 GLU 8 1HB GLU 8 2.568 -24.405 15.114 33 HB3 GLU 8 2HB GLU 8 1.167 -23.381 15.396 34 HG2 GLU 8 1HG GLU 8 1.604 -26.222 16.237 35 HG3 GLU 8 2HG GLU 8 1.271 -24.812 17.241 36 H GLN 9 H GLN 9 -1.011 -23.240 13.265 37 HA GLN 9 HA GLN 9 0.211 -21.941 11.000 38 HB2 GLN 9 1HB GLN 9 -2.448 -21.647 12.384 39 HB3 GLN 9 2HB GLN 9 -1.950 -20.569 11.086 40 HG2 GLN 9 1HG GLN 9 -1.564 -22.712 9.730 41 HG3 GLN 9 2HG GLN 9 -2.536 -23.500 10.972 42 HE21 GLN 9 1HE2 GLN 9 -3.200 -23.285 8.224 43 HE22 GLN 9 2HE2 GLN 9 -4.651 -22.356 8.107 44 H GLU 10 H GLU 10 1.043 -19.914 10.888 45 HA GLU 10 HA GLU 10 1.281 -18.455 13.435 46 HB2 GLU 10 1HB GLU 10 3.336 -17.449 12.438 47 HB3 GLU 10 2HB GLU 10 3.438 -19.188 12.680 48 HG2 GLU 10 1HG GLU 10 2.895 -19.511 10.290 49 HG3 GLU 10 2HG GLU 10 2.929 -17.761 10.080 50 H ASP 11 H ASP 11 -1.026 -18.045 12.055 51 HA ASP 11 HA ASP 11 -0.898 -15.914 10.183 52 HB2 ASP 11 1HB ASP 11 -3.244 -16.661 11.937 53 HB3 ASP 11 2HB ASP 11 -3.293 -15.793 10.405 54 H ARG 12 H ARG 12 -1.571 -16.040 13.666 55 HA ARG 12 HA ARG 12 -2.240 -13.451 14.202 56 HB2 ARG 12 1HB ARG 12 -1.172 -13.759 16.422 57 HB3 ARG 12 2HB ARG 12 -2.178 -15.121 15.947 58 HG2 ARG 12 1HG ARG 12 -0.271 -16.445 15.416 59 HG3 ARG 12 2HG ARG 12 0.809 -15.062 15.605 60 HD2 ARG 12 1HD ARG 12 1.028 -16.339 17.580 61 HD3 ARG 12 2HD ARG 12 0.033 -14.947 18.006 62 HE ARG 12 HE ARG 12 -1.796 -16.833 17.379 63 HH11 ARG 12 1HH1 ARG 12 0.961 -16.800 19.504 64 HH12 ARG 12 2HH1 ARG 12 0.279 -17.936 20.621 65 HH21 ARG 12 1HH2 ARG 12 -2.706 -18.329 18.841 66 HH22 ARG 12 2HH2 ARG 12 -1.806 -18.805 20.242 67 H ALA 13 H ALA 13 0.861 -14.669 13.221 68 HA ALA 13 HA ALA 13 2.205 -12.159 13.842 69 HB1 ALA 13 1HB ALA 13 3.871 -13.907 12.341 70 HB2 ALA 13 2HB ALA 13 3.994 -13.454 14.041 71 HB3 ALA 13 3HB ALA 13 3.032 -14.854 13.568 72 H LEU 14 H LEU 14 1.444 -14.146 10.994 73 HA LEU 14 HA LEU 14 2.557 -12.545 9.028 74 HB2 LEU 14 1HB LEU 14 0.154 -14.343 9.034 75 HB3 LEU 14 2HB LEU 14 0.657 -13.481 7.580 76 HG LEU 14 HG LEU 14 2.378 -15.448 9.089 77 HD11 LEU 14 1HD1 LEU 14 1.404 -16.114 6.401 78 HD12 LEU 14 2HD1 LEU 14 0.172 -16.106 7.662 79 HD13 LEU 14 3HD1 LEU 14 1.596 -17.132 7.829 80 HD21 LEU 14 1HD2 LEU 14 3.787 -15.353 7.096 81 HD22 LEU 14 2HD2 LEU 14 3.641 -13.765 7.851 82 HD23 LEU 14 3HD2 LEU 14 2.719 -14.138 6.392 83 H ARG 15 H ARG 15 -0.727 -12.402 10.386 84 HA ARG 15 HA ARG 15 -1.556 -10.190 8.816 85 HB2 ARG 15 1HB ARG 15 -3.506 -10.142 10.176 86 HB3 ARG 15 2HB ARG 15 -3.062 -11.835 9.997 87 HG2 ARG 15 1HG ARG 15 -2.229 -11.953 12.199 88 HG3 ARG 15 2HG ARG 15 -2.255 -10.198 12.381 89 HD2 ARG 15 1HD ARG 15 -4.116 -11.090 13.584 90 HD3 ARG 15 2HD ARG 15 -4.736 -10.284 12.145 91 HE ARG 15 HE ARG 15 -4.357 -12.983 11.535 92 HH11 ARG 15 1HH1 ARG 15 -6.360 -10.990 13.568 93 HH12 ARG 15 2HH1 ARG 15 -7.700 -12.088 13.546 94 HH21 ARG 15 1HH2 ARG 15 -6.114 -14.436 11.497 95 HH22 ARG 15 2HH2 ARG 15 -7.559 -14.048 12.368 96 H SER 16 H SER 16 0.584 -10.418 11.398 97 HA SER 16 HA SER 16 0.104 -7.668 12.291 98 HB2 SER 16 1HB SER 16 0.426 -9.591 13.939 99 HB3 SER 16 2HB SER 16 2.118 -9.603 13.440 100 HG SER 16 HG SER 16 2.441 -7.921 14.646 101 H PHE 17 H PHE 17 1.231 -8.297 9.669 102 HA PHE 17 HA PHE 17 4.006 -7.403 9.935 103 HB2 PHE 17 1HB PHE 17 3.980 -9.169 8.430 104 HB3 PHE 17 2HB PHE 17 2.426 -8.700 7.749 105 HD1 PHE 17 2HD PHE 17 2.314 -6.724 6.218 106 HD2 PHE 17 1HD PHE 17 6.000 -8.435 7.484 107 HE1 PHE 17 2HE PHE 17 3.468 -5.609 4.353 108 HE2 PHE 17 1HE PHE 17 7.160 -7.323 5.621 109 HZ PHE 17 HZ PHE 17 5.894 -5.909 4.052 110 H LYS 18 H LYS 18 4.484 -5.327 9.750 111 HA LYS 18 HA LYS 18 2.572 -3.553 8.387 112 HB2 LYS 18 1HB LYS 18 3.024 -3.104 10.798 113 HB3 LYS 18 2HB LYS 18 4.711 -2.817 10.393 114 HG2 LYS 18 1HG LYS 18 4.112 -0.915 9.044 115 HG3 LYS 18 2HG LYS 18 2.395 -1.240 9.291 116 HD2 LYS 18 1HD LYS 18 4.194 -0.817 11.644 117 HD3 LYS 18 2HD LYS 18 3.590 0.569 10.735 118 HE2 LYS 18 1HE LYS 18 1.287 -0.243 11.090 119 HE3 LYS 18 2HE LYS 18 1.925 -1.570 12.059 120 HZ1 LYS 18 1HZ LYS 18 2.476 -0.179 13.770 121 HZ2 LYS 18 2HZ LYS 18 1.098 0.610 13.185 122 HZ3 LYS 18 3HZ LYS 18 2.637 1.185 12.780 123 H LEU 19 H LEU 19 3.142 -2.736 6.490 124 HA LEU 19 HA LEU 19 5.999 -2.700 5.780 125 HB2 LEU 19 1HB LEU 19 4.897 -4.145 4.297 126 HB3 LEU 19 2HB LEU 19 3.516 -3.062 4.138 127 HG LEU 19 HG LEU 19 5.259 -1.467 3.023 128 HD11 LEU 19 1HD1 LEU 19 7.068 -2.536 1.912 129 HD12 LEU 19 2HD1 LEU 19 6.535 -4.130 2.443 130 HD13 LEU 19 3HD1 LEU 19 7.169 -2.978 3.617 131 HD21 LEU 19 1HD2 LEU 19 4.747 -3.646 1.155 132 HD22 LEU 19 2HD2 LEU 19 4.179 -1.976 1.135 133 HD23 LEU 19 3HD2 LEU 19 3.328 -3.185 2.097 134 H SER 20 H SER 20 6.918 -0.867 4.940 135 HA SER 20 HA SER 20 5.217 1.539 4.870 136 HB2 SER 20 1HB SER 20 7.595 2.620 5.479 137 HB3 SER 20 2HB SER 20 6.460 2.074 6.714 138 HG SER 20 HG SER 20 8.364 0.298 5.646 139 H VAL 21 H VAL 21 4.974 1.941 2.755 140 HA VAL 21 HA VAL 21 7.166 1.535 0.896 141 HB VAL 21 HB VAL 21 4.478 2.732 0.252 142 HG11 VAL 21 1HG1 VAL 21 6.262 1.056 -1.493 143 HG12 VAL 21 2HG1 VAL 21 4.918 2.095 -1.973 144 HG13 VAL 21 3HG1 VAL 21 6.421 2.810 -1.386 145 HG21 VAL 21 1HG2 VAL 21 4.171 0.598 1.449 146 HG22 VAL 21 2HG2 VAL 21 3.663 0.504 -0.238 147 HG23 VAL 21 3HG2 VAL 21 5.204 -0.197 0.260 148 H THR 22 H THR 22 8.321 3.104 -0.121 149 HA THR 22 HA THR 22 8.086 5.803 0.979 150 HB THR 22 HB THR 22 10.286 4.835 -0.836 151 HG1 THR 22 1HG THR 22 10.570 4.810 1.962 152 HG21 THR 22 1HG2 THR 22 10.553 6.801 1.403 153 HG22 THR 22 2HG2 THR 22 9.860 7.312 -0.137 154 HG23 THR 22 3HG2 THR 22 11.496 6.658 -0.080 155 H VAL 23 H VAL 23 6.562 6.908 -0.134 156 HA VAL 23 HA VAL 23 7.091 7.401 -2.964 157 HB VAL 23 HB VAL 23 4.420 6.493 -1.891 158 HG11 VAL 23 1HG1 VAL 23 3.724 6.833 -4.336 159 HG12 VAL 23 2HG1 VAL 23 3.844 8.263 -3.307 160 HG13 VAL 23 3HG1 VAL 23 5.133 7.887 -4.451 161 HG21 VAL 23 1HG2 VAL 23 4.631 4.633 -3.274 162 HG22 VAL 23 2HG2 VAL 23 5.884 5.386 -4.261 163 HG23 VAL 23 3HG2 VAL 23 6.259 4.841 -2.627 164 H ASP 24 H ASP 24 7.179 9.518 -3.262 165 HA ASP 24 HA ASP 24 6.832 11.511 -1.493 166 HB2 ASP 24 1HB ASP 24 6.066 11.694 -4.415 167 HB3 ASP 24 2HB ASP 24 6.466 13.053 -3.368 168 HA PRO 25 HA PRO 25 2.582 11.827 -0.411 169 HB2 PRO 25 1HB PRO 25 2.508 14.429 0.356 170 HB3 PRO 25 2HB PRO 25 3.274 13.164 1.324 171 HG2 PRO 25 1HG PRO 25 4.527 15.149 -0.534 172 HG3 PRO 25 2HG PRO 25 5.067 14.624 1.072 173 HD2 PRO 25 1HD PRO 25 6.154 13.667 -1.216 174 HD3 PRO 25 2HD PRO 25 6.015 12.686 0.258 175 H LYS 26 H LYS 26 3.874 13.155 -3.138 176 HA LYS 26 HA LYS 26 1.721 14.909 -3.886 177 HB2 LYS 26 1HB LYS 26 2.955 15.403 -5.761 178 HB3 LYS 26 2HB LYS 26 4.233 14.867 -4.679 179 HG2 LYS 26 1HG LYS 26 4.257 12.689 -5.717 180 HG3 LYS 26 2HG LYS 26 2.887 13.131 -6.739 181 HD2 LYS 26 1HD LYS 26 4.590 13.539 -8.202 182 HD3 LYS 26 2HD LYS 26 4.506 15.117 -7.416 183 HE2 LYS 26 1HE LYS 26 6.213 13.953 -5.752 184 HE3 LYS 26 2HE LYS 26 6.548 12.971 -7.178 185 HZ1 LYS 26 1HZ LYS 26 7.896 14.608 -7.794 186 HZ2 LYS 26 2HZ LYS 26 7.301 15.669 -6.619 187 HZ3 LYS 26 3HZ LYS 26 6.518 15.536 -8.112 188 H TYR 27 H TYR 27 2.702 11.598 -4.635 189 HA TYR 27 HA TYR 27 0.441 11.216 -6.411 190 HB2 TYR 27 1HB TYR 27 2.472 9.203 -5.427 191 HB3 TYR 27 2HB TYR 27 1.333 8.973 -6.749 192 HD1 TYR 27 2HD TYR 27 1.534 11.391 -8.305 193 HD2 TYR 27 1HD TYR 27 4.610 9.236 -6.306 194 HE1 TYR 27 2HE TYR 27 3.185 12.290 -9.890 195 HE2 TYR 27 1HE TYR 27 6.271 10.131 -7.886 196 HH TYR 27 HH TYR 27 5.695 12.725 -9.883 197 H HIS 28 H HIS 28 1.150 10.856 -3.093 198 HA HIS 28 HA HIS 28 -0.277 8.710 -2.214 199 HB2 HIS 28 1HB HIS 28 0.303 11.392 -1.097 200 HB3 HIS 28 2HB HIS 28 -0.995 10.492 -0.318 201 HD2 HIS 28 2HD HIS 28 1.961 8.344 -1.556 202 HE1 HIS 28 1HE HIS 28 2.383 8.827 2.637 203 HE2 HIS 28 2HE HIS 28 3.270 7.686 0.576 204 HA PRO 29 HA PRO 29 -4.416 11.194 -2.259 205 HB2 PRO 29 1HB PRO 29 -4.417 13.607 -3.502 206 HB3 PRO 29 2HB PRO 29 -4.041 13.411 -1.787 207 HG2 PRO 29 1HG PRO 29 -2.180 13.725 -4.110 208 HG3 PRO 29 2HG PRO 29 -2.105 14.479 -2.507 209 HD2 PRO 29 1HD PRO 29 -0.591 12.337 -3.182 210 HD3 PRO 29 2HD PRO 29 -1.184 12.604 -1.531 211 H LYS 30 H LYS 30 -2.287 10.724 -4.832 212 HA LYS 30 HA LYS 30 -4.339 10.960 -6.894 213 HB2 LYS 30 1HB LYS 30 -1.407 10.242 -7.081 214 HB3 LYS 30 2HB LYS 30 -2.491 10.407 -8.457 215 HG2 LYS 30 1HG LYS 30 -2.290 12.701 -6.591 216 HG3 LYS 30 2HG LYS 30 -0.913 12.374 -7.647 217 HD2 LYS 30 1HD LYS 30 -2.102 13.729 -9.036 218 HD3 LYS 30 2HD LYS 30 -2.850 12.187 -9.461 219 HE2 LYS 30 1HE LYS 30 -4.516 13.952 -9.076 220 HE3 LYS 30 2HE LYS 30 -4.680 12.621 -7.932 221 HZ1 LYS 30 1HZ LYS 30 -3.036 14.927 -7.170 222 HZ2 LYS 30 2HZ LYS 30 -3.966 13.899 -6.200 223 HZ3 LYS 30 3HZ LYS 30 -4.720 15.094 -7.131 224 H ILE 31 H ILE 31 -2.746 8.576 -4.967 225 HA ILE 31 HA ILE 31 -3.532 6.363 -6.666 226 HB ILE 31 HB ILE 31 -2.375 6.266 -3.879 227 HG12 ILE 31 1HG1 ILE 31 -0.758 5.746 -6.337 228 HG13 ILE 31 2HG1 ILE 31 -1.069 7.416 -5.876 229 HG21 ILE 31 1HG2 ILE 31 -2.820 4.215 -6.023 230 HG22 ILE 31 2HG2 ILE 31 -1.609 3.987 -4.763 231 HG23 ILE 31 3HG2 ILE 31 -3.307 4.171 -4.329 232 HD11 ILE 31 1HD1 ILE 31 0.315 7.320 -4.108 233 HD12 ILE 31 2HD1 ILE 31 -0.108 5.649 -3.729 234 HD13 ILE 31 3HD1 ILE 31 1.037 5.997 -5.024 235 H ILE 32 H ILE 32 -4.520 7.827 -3.614 236 HA ILE 32 HA ILE 32 -6.294 5.928 -2.676 237 HB ILE 32 HB ILE 32 -6.628 8.928 -2.547 238 HG12 ILE 32 1HG1 ILE 32 -5.413 7.073 -0.495 239 HG13 ILE 32 2HG1 ILE 32 -4.459 7.974 -1.667 240 HG21 ILE 32 1HG2 ILE 32 -7.666 7.132 -0.434 241 HG22 ILE 32 2HG2 ILE 32 -8.296 8.667 -1.028 242 HG23 ILE 32 3HG2 ILE 32 -8.554 7.190 -1.956 243 HD11 ILE 32 1HD1 ILE 32 -6.350 9.584 -0.108 244 HD12 ILE 32 2HD1 ILE 32 -5.044 8.840 0.816 245 HD13 ILE 32 3HD1 ILE 32 -4.671 9.898 -0.544 246 H GLY 33 H GLY 33 -6.867 8.501 -5.052 247 HA2 GLY 33 1HA GLY 33 -8.314 7.939 -6.949 248 HA3 GLY 33 2HA GLY 33 -9.351 7.091 -5.810 249 H ARG 34 H ARG 34 -10.419 8.947 -7.517 250 HA ARG 34 HA ARG 34 -10.580 11.546 -6.367 251 HB2 ARG 34 1HB ARG 34 -11.029 11.325 -8.704 252 HB3 ARG 34 2HB ARG 34 -12.266 10.110 -8.416 253 HG2 ARG 34 1HG ARG 34 -13.778 11.699 -7.567 254 HG3 ARG 34 2HG ARG 34 -12.518 12.924 -7.404 255 HD2 ARG 34 1HD ARG 34 -13.746 13.532 -9.319 256 HD3 ARG 34 2HD ARG 34 -12.263 12.792 -9.922 257 HE ARG 34 HE ARG 34 -14.206 10.799 -9.735 258 HH11 ARG 34 1HH1 ARG 34 -13.579 13.706 -11.544 259 HH12 ARG 34 2HH1 ARG 34 -14.438 13.173 -12.951 260 HH21 ARG 34 1HH2 ARG 34 -15.340 10.085 -11.582 261 HH22 ARG 34 2HH2 ARG 34 -15.440 11.113 -12.971 262 H LYS 35 H LYS 35 -12.610 8.656 -6.222 263 HA LYS 35 HA LYS 35 -14.301 9.986 -4.216 264 HB2 LYS 35 1HB LYS 35 -15.618 9.144 -6.021 265 HB3 LYS 35 2HB LYS 35 -14.786 7.594 -5.991 266 HG2 LYS 35 1HG LYS 35 -16.902 7.240 -5.014 267 HG3 LYS 35 2HG LYS 35 -15.738 7.252 -3.686 268 HD2 LYS 35 1HD LYS 35 -17.403 8.599 -2.838 269 HD3 LYS 35 2HD LYS 35 -16.334 9.797 -3.575 270 HE2 LYS 35 1HE LYS 35 -18.434 10.441 -4.325 271 HE3 LYS 35 2HE LYS 35 -17.812 9.486 -5.670 272 HZ1 LYS 35 1HZ LYS 35 -19.063 7.651 -4.104 273 HZ2 LYS 35 2HZ LYS 35 -19.704 8.352 -5.502 274 HZ3 LYS 35 3HZ LYS 35 -20.079 8.999 -3.985 275 H GLY 36 H GLY 36 -12.027 7.431 -4.722 276 HA2 GLY 36 1HA GLY 36 -10.809 6.587 -2.814 277 HA3 GLY 36 2HA GLY 36 -12.289 6.711 -1.876 278 H ALA 37 H ALA 37 -12.845 5.505 -4.979 279 HA ALA 37 HA ALA 37 -13.376 2.864 -3.897 280 HB1 ALA 37 1HB ALA 37 -14.858 4.265 -5.527 281 HB2 ALA 37 2HB ALA 37 -13.811 3.568 -6.764 282 HB3 ALA 37 3HB ALA 37 -14.751 2.514 -5.709 283 H VAL 38 H VAL 38 -10.904 4.440 -5.637 284 HA VAL 38 HA VAL 38 -9.920 2.269 -7.168 285 HB VAL 38 HB VAL 38 -8.391 4.642 -6.091 286 HG11 VAL 38 1HG1 VAL 38 -7.775 2.617 -8.227 287 HG12 VAL 38 2HG1 VAL 38 -6.955 4.176 -8.122 288 HG13 VAL 38 3HG1 VAL 38 -6.826 3.019 -6.796 289 HG21 VAL 38 1HG2 VAL 38 -10.121 5.563 -7.363 290 HG22 VAL 38 2HG2 VAL 38 -8.775 5.454 -8.496 291 HG23 VAL 38 3HG2 VAL 38 -10.069 4.258 -8.548 292 H ILE 39 H ILE 39 -8.313 3.752 -4.356 293 HA ILE 39 HA ILE 39 -6.559 1.717 -3.792 294 HB ILE 39 HB ILE 39 -6.568 3.941 -2.680 295 HG12 ILE 39 1HG1 ILE 39 -6.047 2.963 -0.330 296 HG13 ILE 39 2HG1 ILE 39 -6.377 1.404 -1.077 297 HG21 ILE 39 1HG2 ILE 39 -7.968 4.282 -0.703 298 HG22 ILE 39 2HG2 ILE 39 -8.944 4.070 -2.157 299 HG23 ILE 39 3HG2 ILE 39 -8.774 2.743 -1.009 300 HD11 ILE 39 1HD1 ILE 39 -4.143 1.495 -1.407 301 HD12 ILE 39 2HD1 ILE 39 -4.657 2.340 -2.867 302 HD13 ILE 39 3HD1 ILE 39 -4.107 3.257 -1.464 303 H THR 40 H THR 40 -9.948 1.972 -2.906 304 HA THR 40 HA THR 40 -10.110 -0.050 -1.000 305 HB THR 40 HB THR 40 -12.205 0.667 -3.061 306 HG1 THR 40 1HG THR 40 -12.903 2.154 -1.530 307 HG21 THR 40 1HG2 THR 40 -12.877 -0.293 -0.330 308 HG22 THR 40 2HG2 THR 40 -12.314 -1.486 -1.500 309 HG23 THR 40 3HG2 THR 40 -13.741 -0.512 -1.850 310 H GLN 41 H GLN 41 -10.396 -0.253 -4.533 311 HA GLN 41 HA GLN 41 -10.994 -2.980 -4.703 312 HB2 GLN 41 1HB GLN 41 -11.217 -1.429 -6.593 313 HB3 GLN 41 2HB GLN 41 -9.468 -1.260 -6.667 314 HG2 GLN 41 1HG GLN 41 -10.710 -3.962 -6.914 315 HG3 GLN 41 2HG GLN 41 -10.696 -2.866 -8.295 316 HE21 GLN 41 1HE2 GLN 41 -9.323 -5.442 -7.794 317 HE22 GLN 41 2HE2 GLN 41 -7.648 -5.123 -8.067 318 H ILE 42 H ILE 42 -7.842 -1.339 -4.943 319 HA ILE 42 HA ILE 42 -6.251 -3.592 -5.284 320 HB ILE 42 HB ILE 42 -5.546 -1.052 -3.811 321 HG12 ILE 42 1HG1 ILE 42 -4.863 -1.743 -6.661 322 HG13 ILE 42 2HG1 ILE 42 -6.374 -0.940 -6.249 323 HG21 ILE 42 1HG2 ILE 42 -3.256 -2.009 -4.989 324 HG22 ILE 42 2HG2 ILE 42 -3.679 -2.155 -3.283 325 HG23 ILE 42 3HG2 ILE 42 -4.039 -3.474 -4.397 326 HD11 ILE 42 1HD1 ILE 42 -5.225 0.946 -6.519 327 HD12 ILE 42 2HD1 ILE 42 -4.522 0.586 -4.941 328 HD13 ILE 42 3HD1 ILE 42 -3.670 0.120 -6.413 329 H ARG 43 H ARG 43 -7.527 -2.147 -2.336 330 HA ARG 43 HA ARG 43 -6.033 -3.611 -0.473 331 HB2 ARG 43 1HB ARG 43 -8.787 -2.391 -0.324 332 HB3 ARG 43 2HB ARG 43 -8.016 -3.165 1.055 333 HG2 ARG 43 1HG ARG 43 -6.271 -1.552 1.087 334 HG3 ARG 43 2HG ARG 43 -6.787 -0.876 -0.459 335 HD2 ARG 43 1HD ARG 43 -8.943 -0.241 0.619 336 HD3 ARG 43 2HD ARG 43 -8.277 -0.779 2.160 337 HE ARG 43 HE ARG 43 -6.436 0.995 1.299 338 HH11 ARG 43 1HH1 ARG 43 -9.897 1.144 1.643 339 HH12 ARG 43 2HH1 ARG 43 -9.923 2.848 1.961 340 HH21 ARG 43 1HH2 ARG 43 -6.457 3.237 1.718 341 HH22 ARG 43 2HH2 ARG 43 -7.965 4.037 2.002 342 H LEU 44 H LEU 44 -9.286 -4.260 -1.776 343 HA LEU 44 HA LEU 44 -9.594 -6.747 -0.465 344 HB2 LEU 44 1HB LEU 44 -10.935 -5.516 -2.855 345 HB3 LEU 44 2HB LEU 44 -11.377 -7.107 -2.241 346 HG LEU 44 HG LEU 44 -11.479 -4.646 -0.518 347 HD11 LEU 44 1HD1 LEU 44 -13.737 -5.796 -2.148 348 HD12 LEU 44 2HD1 LEU 44 -12.875 -4.306 -2.529 349 HD13 LEU 44 3HD1 LEU 44 -13.818 -4.424 -1.044 350 HD21 LEU 44 1HD2 LEU 44 -11.718 -6.361 0.942 351 HD22 LEU 44 2HD2 LEU 44 -12.289 -7.482 -0.296 352 HD23 LEU 44 3HD2 LEU 44 -13.390 -6.283 0.384 353 H GLU 45 H GLU 45 -8.409 -5.844 -3.668 354 HA GLU 45 HA GLU 45 -8.263 -8.268 -4.929 355 HB2 GLU 45 1HB GLU 45 -7.592 -6.089 -5.917 356 HB3 GLU 45 2HB GLU 45 -6.107 -6.150 -4.979 357 HG2 GLU 45 1HG GLU 45 -5.522 -6.880 -7.122 358 HG3 GLU 45 2HG GLU 45 -5.621 -8.341 -6.143 359 H HIS 46 H HIS 46 -5.651 -6.865 -2.942 360 HA HIS 46 HA HIS 46 -4.391 -9.487 -2.758 361 HB2 HIS 46 1HB HIS 46 -3.481 -6.793 -1.723 362 HB3 HIS 46 2HB HIS 46 -2.535 -8.277 -1.676 363 HD1 HIS 46 1HD HIS 46 -1.874 -9.277 -4.088 364 HD2 HIS 46 2HD HIS 46 -3.244 -5.355 -4.029 365 HE1 HIS 46 1HE HIS 46 -1.168 -8.285 -6.288 366 H ASP 47 H ASP 47 -6.778 -7.939 -1.152 367 HA ASP 47 HA ASP 47 -7.744 -8.137 0.900 368 HB2 ASP 47 1HB ASP 47 -6.069 -10.655 1.012 369 HB3 ASP 47 2HB ASP 47 -7.429 -10.284 2.069 370 H VAL 48 H VAL 48 -5.907 -6.282 1.043 371 HA VAL 48 HA VAL 48 -4.636 -6.741 3.649 372 HB VAL 48 HB VAL 48 -2.690 -5.327 2.851 373 HG11 VAL 48 1HG1 VAL 48 -1.491 -7.209 1.965 374 HG12 VAL 48 2HG1 VAL 48 -2.614 -7.790 3.196 375 HG13 VAL 48 3HG1 VAL 48 -2.994 -7.998 1.486 376 HG21 VAL 48 1HG2 VAL 48 -2.943 -6.155 0.095 377 HG22 VAL 48 2HG2 VAL 48 -4.261 -5.082 0.565 378 HG23 VAL 48 3HG2 VAL 48 -2.587 -4.562 0.761 379 H ASN 49 H ASN 49 -3.998 -4.678 4.714 380 HA ASN 49 HA ASN 49 -6.052 -2.650 4.205 381 HB2 ASN 49 1HB ASN 49 -5.726 -3.779 6.495 382 HB3 ASN 49 2HB ASN 49 -4.281 -2.782 6.638 383 HD21 ASN 49 1HD2 ASN 49 -7.622 -2.305 5.529 384 HD22 ASN 49 2HD2 ASN 49 -7.907 -0.880 6.464 385 H ILE 50 H ILE 50 -5.497 -0.863 3.167 386 HA ILE 50 HA ILE 50 -2.699 0.052 3.334 387 HB ILE 50 HB ILE 50 -4.651 0.377 1.051 388 HG12 ILE 50 1HG1 ILE 50 -1.971 -0.985 0.956 389 HG13 ILE 50 2HG1 ILE 50 -3.409 -1.859 1.473 390 HG21 ILE 50 1HG2 ILE 50 -2.293 1.206 0.053 391 HG22 ILE 50 2HG2 ILE 50 -3.500 2.292 0.742 392 HG23 ILE 50 3HG2 ILE 50 -2.134 1.756 1.721 393 HD11 ILE 50 1HD1 ILE 50 -3.390 -2.366 -0.745 394 HD12 ILE 50 2HD1 ILE 50 -4.382 -0.907 -0.776 395 HD13 ILE 50 3HD1 ILE 50 -2.674 -0.822 -1.208 396 H GLN 51 H GLN 51 -2.299 2.139 3.866 397 HA GLN 51 HA GLN 51 -4.455 4.085 3.906 398 HB2 GLN 51 1HB GLN 51 -3.216 2.914 6.352 399 HB3 GLN 51 2HB GLN 51 -3.594 4.632 6.359 400 HG2 GLN 51 1HG GLN 51 -5.596 2.491 5.686 401 HG3 GLN 51 2HG GLN 51 -5.360 3.141 7.308 402 HE21 GLN 51 1HE2 GLN 51 -7.606 3.750 7.153 403 HE22 GLN 51 2HE2 GLN 51 -8.038 5.216 6.347 404 H PHE 52 H PHE 52 -3.699 6.271 4.301 405 HA PHE 52 HA PHE 52 -0.822 6.584 3.741 406 HB2 PHE 52 1HB PHE 52 -3.080 8.341 2.756 407 HB3 PHE 52 2HB PHE 52 -1.369 8.565 2.411 408 HD1 PHE 52 2HD PHE 52 -4.292 6.409 1.805 409 HD2 PHE 52 1HD PHE 52 -0.280 7.322 0.712 410 HE1 PHE 52 2HE PHE 52 -4.512 4.978 -0.185 411 HE2 PHE 52 1HE PHE 52 -0.494 5.893 -1.281 412 HZ PHE 52 HZ PHE 52 -2.612 4.718 -1.730 413 HA PRO 53 HA PRO 53 -0.503 9.164 7.278 414 HB2 PRO 53 1HB PRO 53 1.452 10.875 6.493 415 HB3 PRO 53 2HB PRO 53 1.763 9.185 6.904 416 HG2 PRO 53 1HG PRO 53 1.439 10.450 4.210 417 HG3 PRO 53 2HG PRO 53 2.621 9.241 4.744 418 HD2 PRO 53 1HD PRO 53 0.410 8.588 3.325 419 HD3 PRO 53 2HD PRO 53 1.126 7.500 4.531 420 H ASP 54 H ASP 54 -0.769 11.356 8.062 421 HA ASP 54 HA ASP 54 -2.419 12.974 6.243 422 HB2 ASP 54 1HB ASP 54 -3.407 12.069 8.412 423 HB3 ASP 54 2HB ASP 54 -2.344 13.196 9.251 424 H LYS 55 H LYS 55 -1.818 14.979 5.697 425 HA LYS 55 HA LYS 55 0.798 15.901 6.360 426 HB2 LYS 55 1HB LYS 55 0.299 17.790 4.929 427 HB3 LYS 55 2HB LYS 55 -0.272 16.313 4.166 428 HG2 LYS 55 1HG LYS 55 -2.536 16.948 5.309 429 HG3 LYS 55 2HG LYS 55 -1.827 18.565 5.339 430 HD2 LYS 55 1HD LYS 55 -1.307 18.069 2.828 431 HD3 LYS 55 2HD LYS 55 -2.588 16.866 3.001 432 HE2 LYS 55 1HE LYS 55 -4.110 18.622 3.792 433 HE3 LYS 55 2HE LYS 55 -2.828 19.816 3.591 434 HZ1 LYS 55 1HZ LYS 55 -2.885 19.585 1.281 435 HZ2 LYS 55 2HZ LYS 55 -4.515 19.603 1.730 436 HZ3 LYS 55 3HZ LYS 55 -3.762 18.139 1.339 437 H ASP 56 H ASP 56 -2.405 16.536 7.561 438 HA ASP 56 HA ASP 56 -2.057 18.998 8.795 439 HB2 ASP 56 1HB ASP 56 -4.225 17.832 8.626 440 HB3 ASP 56 2HB ASP 56 -3.673 16.651 9.812 441 H ASP 57 H ASP 57 -1.154 15.775 9.897 442 HA ASP 57 HA ASP 57 -0.407 16.503 12.522 443 HB2 ASP 57 1HB ASP 57 -0.780 14.147 11.436 444 HB3 ASP 57 2HB ASP 57 0.938 14.257 11.063 445 H GLY 58 H GLY 58 1.783 15.564 9.863 446 HA2 GLY 58 1HA GLY 58 3.604 16.923 9.114 447 HA3 GLY 58 2HA GLY 58 3.577 17.751 10.663 448 H ASN 59 H ASN 59 4.153 16.370 12.581 449 HA ASN 59 HA ASN 59 6.696 15.491 12.547 450 HB2 ASN 59 1HB ASN 59 4.354 14.710 14.229 451 HB3 ASN 59 2HB ASN 59 5.859 13.816 14.420 452 HD21 ASN 59 1HD2 ASN 59 4.907 17.212 13.991 453 HD22 ASN 59 2HD2 ASN 59 5.874 17.820 15.287 454 H GLN 60 H GLN 60 3.863 13.538 11.742 455 HA GLN 60 HA GLN 60 5.383 11.145 11.313 456 HB2 GLN 60 1HB GLN 60 3.280 10.218 10.452 457 HB3 GLN 60 2HB GLN 60 3.045 11.021 11.999 458 HG2 GLN 60 1HG GLN 60 2.440 13.068 10.454 459 HG3 GLN 60 2HG GLN 60 2.088 11.786 9.296 460 HE21 GLN 60 1HE2 GLN 60 -0.105 12.540 9.411 461 HE22 GLN 60 2HE2 GLN 60 -1.126 12.022 10.706 462 HA PRO 61 HA PRO 61 6.675 11.726 7.159 463 HB2 PRO 61 1HB PRO 61 6.600 9.174 6.238 464 HB3 PRO 61 2HB PRO 61 7.827 9.750 7.372 465 HG2 PRO 61 1HG PRO 61 5.324 8.199 7.916 466 HG3 PRO 61 2HG PRO 61 6.948 7.976 8.592 467 HD2 PRO 61 1HD PRO 61 4.971 9.244 9.939 468 HD3 PRO 61 2HD PRO 61 6.682 9.680 10.122 469 H GLN 62 H GLN 62 5.594 12.536 5.483 470 HA GLN 62 HA GLN 62 2.868 11.642 4.962 471 HB2 GLN 62 1HB GLN 62 4.413 13.942 3.754 472 HB3 GLN 62 2HB GLN 62 2.697 13.622 3.539 473 HG2 GLN 62 1HG GLN 62 4.129 14.520 6.014 474 HG3 GLN 62 2HG GLN 62 2.832 15.330 5.136 475 HE21 GLN 62 1HE2 GLN 62 3.210 14.301 7.968 476 HE22 GLN 62 2HE2 GLN 62 1.768 13.401 8.277 477 H ASP 63 H ASP 63 5.941 10.934 3.889 478 HA ASP 63 HA ASP 63 5.034 10.247 1.181 479 HB2 ASP 63 1HB ASP 63 7.221 10.388 0.453 480 HB3 ASP 63 2HB ASP 63 7.226 11.590 1.741 481 H GLN 64 H GLN 64 5.392 8.889 4.189 482 HA GLN 64 HA GLN 64 6.139 6.245 3.186 483 HB2 GLN 64 1HB GLN 64 5.740 7.293 5.990 484 HB3 GLN 64 2HB GLN 64 6.121 5.619 5.614 485 HG2 GLN 64 1HG GLN 64 7.899 7.742 4.541 486 HG3 GLN 64 2HG GLN 64 7.989 7.355 6.259 487 HE21 GLN 64 1HE2 GLN 64 8.238 6.009 3.022 488 HE22 GLN 64 2HE2 GLN 64 9.268 4.689 3.450 489 H ILE 65 H ILE 65 4.686 4.712 2.782 490 HA ILE 65 HA ILE 65 1.912 5.174 3.643 491 HB ILE 65 HB ILE 65 2.825 3.317 1.450 492 HG12 ILE 65 1HG1 ILE 65 1.629 6.045 1.013 493 HG13 ILE 65 2HG1 ILE 65 3.369 5.820 1.139 494 HG21 ILE 65 1HG2 ILE 65 0.140 4.459 2.198 495 HG22 ILE 65 2HG2 ILE 65 0.459 3.541 0.729 496 HG23 ILE 65 3HG2 ILE 65 0.648 2.774 2.306 497 HD11 ILE 65 1HD1 ILE 65 3.386 4.402 -0.785 498 HD12 ILE 65 2HD1 ILE 65 1.623 4.403 -0.856 499 HD13 ILE 65 3HD1 ILE 65 2.520 5.886 -1.184 500 H THR 66 H THR 66 1.089 3.901 5.157 501 HA THR 66 HA THR 66 2.552 1.518 5.978 502 HB THR 66 HB THR 66 0.044 2.449 7.326 503 HG1 THR 66 1HG THR 66 1.896 4.140 6.864 504 HG21 THR 66 1HG2 THR 66 2.617 1.171 8.252 505 HG22 THR 66 2HG2 THR 66 1.023 0.420 8.162 506 HG23 THR 66 3HG2 THR 66 1.330 1.702 9.334 507 H ILE 67 H ILE 67 1.892 -0.519 5.643 508 HA ILE 67 HA ILE 67 -0.867 -0.999 4.772 509 HB ILE 67 HB ILE 67 1.563 -2.112 3.364 510 HG12 ILE 67 1HG1 ILE 67 -0.567 -0.297 2.233 511 HG13 ILE 67 2HG1 ILE 67 0.932 0.317 2.923 512 HG21 ILE 67 1HG2 ILE 67 -1.377 -2.529 2.837 513 HG22 ILE 67 2HG2 ILE 67 -0.060 -3.121 1.825 514 HG23 ILE 67 3HG2 ILE 67 -0.249 -3.729 3.469 515 HD11 ILE 67 1HD1 ILE 67 0.861 0.056 0.417 516 HD12 ILE 67 2HD1 ILE 67 2.230 -0.688 1.241 517 HD13 ILE 67 3HD1 ILE 67 0.885 -1.686 0.690 518 H THR 68 H THR 68 -1.729 -2.456 6.080 519 HA THR 68 HA THR 68 0.016 -4.369 7.452 520 HB THR 68 HB THR 68 -2.902 -3.975 8.060 521 HG1 THR 68 1HG THR 68 -2.319 -1.965 8.496 522 HG21 THR 68 1HG2 THR 68 -1.787 -5.881 9.096 523 HG22 THR 68 2HG2 THR 68 -2.188 -4.666 10.310 524 HG23 THR 68 3HG2 THR 68 -0.530 -4.820 9.729 525 H GLY 69 H GLY 69 -0.591 -6.602 7.618 526 HA2 GLY 69 1HA GLY 69 -2.444 -8.185 6.787 527 HA3 GLY 69 2HA GLY 69 -2.023 -7.522 5.215 528 H TYR 70 H TYR 70 -1.775 -10.015 5.046 529 HA TYR 70 HA TYR 70 0.354 -11.390 6.169 530 HB2 TYR 70 1HB TYR 70 -1.218 -11.666 3.653 531 HB3 TYR 70 2HB TYR 70 0.271 -12.595 3.794 532 HD1 TYR 70 1HD TYR 70 -2.693 -11.788 5.936 533 HD2 TYR 70 2HD TYR 70 0.034 -14.749 4.559 534 HE1 TYR 70 1HE TYR 70 -3.886 -13.489 7.251 535 HE2 TYR 70 2HE TYR 70 -1.152 -16.460 5.870 536 HH TYR 70 HH TYR 70 -3.869 -15.603 7.976 537 H GLU 71 H GLU 71 2.482 -11.169 6.037 538 HA GLU 71 HA GLU 71 3.923 -9.208 4.948 539 HB2 GLU 71 1HB GLU 71 5.084 -10.781 6.266 540 HB3 GLU 71 2HB GLU 71 4.642 -12.116 5.212 541 HG2 GLU 71 1HG GLU 71 6.079 -11.165 3.452 542 HG3 GLU 71 2HG GLU 71 6.567 -9.894 4.572 543 H LYS 72 H LYS 72 2.814 -12.056 3.186 544 HA LYS 72 HA LYS 72 4.128 -11.298 0.743 545 HB2 LYS 72 1HB LYS 72 1.981 -13.361 1.275 546 HB3 LYS 72 2HB LYS 72 2.853 -13.179 -0.241 547 HG2 LYS 72 1HG LYS 72 4.958 -13.487 1.285 548 HG3 LYS 72 2HG LYS 72 3.793 -14.245 2.374 549 HD2 LYS 72 1HD LYS 72 3.074 -15.631 0.348 550 HD3 LYS 72 2HD LYS 72 4.560 -15.060 -0.416 551 HE2 LYS 72 1HE LYS 72 4.483 -16.443 2.258 552 HE3 LYS 72 2HE LYS 72 4.726 -17.290 0.731 553 HZ1 LYS 72 1HZ LYS 72 6.457 -15.043 1.581 554 HZ2 LYS 72 2HZ LYS 72 6.754 -16.196 0.379 555 HZ3 LYS 72 3HZ LYS 72 6.788 -16.646 2.010 556 H ASN 73 H ASN 73 0.678 -11.658 1.594 557 HA ASN 73 HA ASN 73 -0.495 -10.564 -0.598 558 HB2 ASN 73 1HB ASN 73 -1.295 -10.135 2.289 559 HB3 ASN 73 2HB ASN 73 -2.333 -9.801 0.905 560 HD21 ASN 73 1HD2 ASN 73 -3.875 -11.284 1.523 561 HD22 ASN 73 2HD2 ASN 73 -3.620 -12.990 1.426 562 H THR 74 H THR 74 1.161 -8.851 1.973 563 HA THR 74 HA THR 74 0.324 -6.239 1.292 564 HB THR 74 HB THR 74 2.274 -5.464 2.594 565 HG1 THR 74 1HG THR 74 2.930 -8.142 3.172 566 HG21 THR 74 1HG2 THR 74 0.064 -6.835 3.519 567 HG22 THR 74 2HG2 THR 74 1.170 -5.875 4.500 568 HG23 THR 74 3HG2 THR 74 1.405 -7.616 4.357 569 H GLU 75 H GLU 75 3.457 -7.840 0.673 570 HA GLU 75 HA GLU 75 4.666 -5.965 -0.889 571 HB2 GLU 75 1HB GLU 75 4.697 -8.956 -1.325 572 HB3 GLU 75 2HB GLU 75 5.852 -7.825 -2.017 573 HG2 GLU 75 1HG GLU 75 6.156 -7.163 0.531 574 HG3 GLU 75 2HG GLU 75 5.593 -8.817 0.761 575 H ALA 76 H ALA 76 2.230 -8.312 -1.913 576 HA ALA 76 HA ALA 76 2.320 -7.722 -4.670 577 HB1 ALA 76 1HB ALA 76 0.302 -8.963 -4.861 578 HB2 ALA 76 2HB ALA 76 1.274 -9.745 -3.614 579 HB3 ALA 76 3HB ALA 76 -0.085 -8.718 -3.158 580 H ALA 77 H ALA 77 0.690 -6.216 -1.973 581 HA ALA 77 HA ALA 77 -0.971 -4.559 -3.676 582 HB1 ALA 77 1HB ALA 77 -0.952 -5.321 -0.911 583 HB2 ALA 77 2HB ALA 77 -1.037 -3.565 -1.053 584 HB3 ALA 77 3HB ALA 77 -2.241 -4.574 -1.856 585 H ARG 78 H ARG 78 2.029 -4.328 -1.905 586 HA ARG 78 HA ARG 78 2.229 -1.478 -2.031 587 HB2 ARG 78 1HB ARG 78 4.212 -1.711 -0.900 588 HB3 ARG 78 2HB ARG 78 3.444 -3.236 -0.479 589 HG2 ARG 78 1HG ARG 78 5.480 -4.020 -1.087 590 HG3 ARG 78 2HG ARG 78 4.701 -4.040 -2.670 591 HD2 ARG 78 1HD ARG 78 5.616 -1.590 -2.810 592 HD3 ARG 78 2HD ARG 78 6.740 -2.156 -1.575 593 HE ARG 78 HE ARG 78 6.541 -3.830 -3.927 594 HH11 ARG 78 1HH1 ARG 78 8.194 -1.203 -2.350 595 HH12 ARG 78 2HH1 ARG 78 9.637 -1.370 -3.295 596 HH21 ARG 78 1HH2 ARG 78 8.435 -4.061 -5.178 597 HH22 ARG 78 2HH2 ARG 78 9.772 -2.997 -4.903 598 H ASP 79 H ASP 79 2.929 -4.074 -4.186 599 HA ASP 79 HA ASP 79 4.887 -2.797 -5.787 600 HB2 ASP 79 1HB ASP 79 4.330 -5.275 -5.741 601 HB3 ASP 79 2HB ASP 79 2.924 -4.888 -6.729 602 H ALA 80 H ALA 80 1.394 -2.722 -5.732 603 HA ALA 80 HA ALA 80 0.985 -1.578 -8.285 604 HB1 ALA 80 1HB ALA 80 -1.133 -1.934 -7.734 605 HB2 ALA 80 2HB ALA 80 -0.619 -2.388 -6.109 606 HB3 ALA 80 3HB ALA 80 -1.034 -0.712 -6.466 607 H ILE 81 H ILE 81 0.932 -0.048 -5.059 608 HA ILE 81 HA ILE 81 0.570 2.553 -5.647 609 HB ILE 81 HB ILE 81 2.676 1.504 -3.753 610 HG12 ILE 81 1HG1 ILE 81 -0.002 2.517 -2.902 611 HG13 ILE 81 2HG1 ILE 81 0.102 0.898 -3.588 612 HG21 ILE 81 1HG2 ILE 81 2.616 3.629 -2.665 613 HG22 ILE 81 2HG2 ILE 81 2.922 3.908 -4.378 614 HG23 ILE 81 3HG2 ILE 81 1.314 4.190 -3.714 615 HD11 ILE 81 1HD1 ILE 81 0.978 0.063 -1.724 616 HD12 ILE 81 2HD1 ILE 81 2.115 1.400 -1.553 617 HD13 ILE 81 3HD1 ILE 81 0.463 1.564 -0.957 618 H LEU 82 H LEU 82 3.452 0.693 -6.346 619 HA LEU 82 HA LEU 82 4.945 3.022 -7.206 620 HB2 LEU 82 1HB LEU 82 5.665 0.125 -7.581 621 HB3 LEU 82 2HB LEU 82 6.744 1.516 -7.640 622 HG LEU 82 HG LEU 82 5.336 0.520 -5.164 623 HD11 LEU 82 1HD1 LEU 82 7.020 -1.064 -5.952 624 HD12 LEU 82 2HD1 LEU 82 7.533 -0.267 -4.465 625 HD13 LEU 82 3HD1 LEU 82 8.215 0.232 -6.013 626 HD21 LEU 82 1HD2 LEU 82 5.936 2.432 -4.215 627 HD22 LEU 82 2HD2 LEU 82 6.528 3.011 -5.772 628 HD23 LEU 82 3HD2 LEU 82 7.616 2.160 -4.675 629 H ARG 83 H ARG 83 3.613 0.092 -8.728 630 HA ARG 83 HA ARG 83 4.312 0.481 -11.335 631 HB2 ARG 83 1HB ARG 83 2.806 -1.337 -10.166 632 HB3 ARG 83 2HB ARG 83 1.492 -0.328 -10.757 633 HG2 ARG 83 1HG ARG 83 1.911 -0.819 -12.947 634 HG3 ARG 83 2HG ARG 83 3.625 -1.127 -12.665 635 HD2 ARG 83 1HD ARG 83 3.268 -3.286 -11.995 636 HD3 ARG 83 2HD ARG 83 1.645 -2.943 -11.394 637 HE ARG 83 HE ARG 83 2.288 -3.962 -13.927 638 HH11 ARG 83 1HH1 ARG 83 0.231 -1.575 -12.448 639 HH12 ARG 83 2HH1 ARG 83 -0.982 -1.667 -13.680 640 HH21 ARG 83 1HH2 ARG 83 0.697 -4.093 -15.556 641 HH22 ARG 83 2HH2 ARG 83 -0.717 -3.100 -15.448 642 H ILE 84 H ILE 84 1.756 2.112 -9.547 643 HA ILE 84 HA ILE 84 0.688 3.472 -11.828 644 HB ILE 84 HB ILE 84 0.349 4.229 -8.928 645 HG12 ILE 84 1HG1 ILE 84 -1.671 2.604 -10.407 646 HG13 ILE 84 2HG1 ILE 84 -0.245 1.786 -9.780 647 HG21 ILE 84 1HG2 ILE 84 -1.953 4.681 -10.531 648 HG22 ILE 84 2HG2 ILE 84 -0.945 5.859 -9.691 649 HG23 ILE 84 3HG2 ILE 84 -0.558 5.390 -11.346 650 HD11 ILE 84 1HD1 ILE 84 -1.219 1.657 -7.805 651 HD12 ILE 84 2HD1 ILE 84 -1.248 3.419 -7.711 652 HD13 ILE 84 3HD1 ILE 84 -2.613 2.549 -8.415 653 H VAL 85 H VAL 85 2.423 4.692 -8.955 654 HA VAL 85 HA VAL 85 2.856 7.268 -9.590 655 HB VAL 85 HB VAL 85 4.776 5.301 -8.369 656 HG11 VAL 85 1HG1 VAL 85 6.373 6.764 -9.073 657 HG12 VAL 85 2HG1 VAL 85 5.250 8.123 -9.158 658 HG13 VAL 85 3HG1 VAL 85 5.872 7.588 -7.597 659 HG21 VAL 85 1HG2 VAL 85 4.207 6.399 -6.310 660 HG22 VAL 85 2HG2 VAL 85 3.286 7.633 -7.170 661 HG23 VAL 85 3HG2 VAL 85 2.715 5.965 -7.144 662 H GLY 86 H GLY 86 4.543 4.513 -11.013 663 HA2 GLY 86 1HA GLY 86 6.536 5.875 -12.412 664 HA3 GLY 86 2HA GLY 86 5.838 4.338 -12.899 665 H GLU 87 H GLU 87 3.308 4.908 -13.575 666 HA GLU 87 HA GLU 87 3.573 6.097 -16.115 667 HB2 GLU 87 1HB GLU 87 1.395 5.464 -16.481 668 HB3 GLU 87 2HB GLU 87 1.811 4.391 -15.152 669 HG2 GLU 87 1HG GLU 87 0.707 5.830 -13.575 670 HG3 GLU 87 2HG GLU 87 0.397 7.028 -14.832 671 H LEU 88 H LEU 88 2.153 7.280 -13.091 672 HA LEU 88 HA LEU 88 1.036 9.645 -13.928 673 HB2 LEU 88 1HB LEU 88 2.637 9.414 -11.396 674 HB3 LEU 88 2HB LEU 88 1.232 10.431 -11.703 675 HG LEU 88 HG LEU 88 1.287 7.443 -11.317 676 HD11 LEU 88 1HD1 LEU 88 1.353 9.102 -9.355 677 HD12 LEU 88 2HD1 LEU 88 0.142 7.821 -9.329 678 HD13 LEU 88 3HD1 LEU 88 -0.317 9.460 -9.790 679 HD21 LEU 88 1HD2 LEU 88 -0.276 8.277 -13.148 680 HD22 LEU 88 2HD2 LEU 88 -1.164 9.095 -11.863 681 HD23 LEU 88 3HD2 LEU 88 -1.000 7.339 -11.842 682 H GLU 89 H GLU 89 4.413 8.855 -13.544 683 HA GLU 89 HA GLU 89 5.337 11.567 -13.729 684 HB2 GLU 89 1HB GLU 89 6.594 8.875 -13.602 685 HB3 GLU 89 2HB GLU 89 7.544 10.177 -14.306 686 HG2 GLU 89 1HG GLU 89 6.297 10.209 -11.568 687 HG3 GLU 89 2HG GLU 89 7.993 9.884 -11.922 688 H GLN 90 H GLN 90 5.447 8.763 -15.926 689 HA GLN 90 HA GLN 90 6.575 10.018 -18.123 690 HB2 GLN 90 1HB GLN 90 4.814 7.647 -17.749 691 HB3 GLN 90 2HB GLN 90 5.020 8.260 -19.384 692 HG2 GLN 90 1HG GLN 90 7.245 7.427 -17.536 693 HG3 GLN 90 2HG GLN 90 6.591 6.463 -18.860 694 HE21 GLN 90 1HE2 GLN 90 9.300 7.434 -18.442 695 HE22 GLN 90 2HE2 GLN 90 9.691 8.389 -19.826 696 H MET 91 H MET 91 3.162 9.785 -17.195 697 HA MET 91 HA MET 91 2.237 11.231 -19.489 698 HB2 MET 91 1HB MET 91 0.063 11.130 -18.465 699 HB3 MET 91 2HB MET 91 0.851 9.573 -18.246 700 HG2 MET 91 1HG MET 91 1.539 10.423 -15.952 701 HG3 MET 91 2HG MET 91 0.383 11.727 -16.215 702 HE1 MET 91 1HE MET 91 -1.244 11.398 -14.406 703 HE2 MET 91 2HE MET 91 -2.197 11.485 -15.887 704 HE3 MET 91 3HE MET 91 -2.606 10.302 -14.642 705 H SER 92 H SER 92 1.606 13.356 -19.647 706 HA SER 92 HA SER 92 2.996 15.246 -18.087 707 HB2 SER 92 1HB SER 92 1.735 16.934 -19.345 708 HB3 SER 92 2HB SER 92 2.321 15.666 -20.420 709 HG SER 92 HG SER 92 -0.098 16.483 -20.298 710 H GLY 93 H GLY 93 2.480 16.321 -16.279 711 HA2 GLY 93 1HA GLY 93 0.038 17.171 -15.382 712 HA3 GLY 93 2HA GLY 93 0.158 15.519 -14.795 713 HA PRO 94 HA PRO 94 2.240 17.073 -11.252 714 HB2 PRO 94 1HB PRO 94 3.503 14.806 -10.454 715 HB3 PRO 94 2HB PRO 94 1.763 15.052 -10.268 716 HG2 PRO 94 1HG PRO 94 3.245 13.527 -12.375 717 HG3 PRO 94 2HG PRO 94 1.764 13.084 -11.506 718 HD2 PRO 94 1HD PRO 94 1.734 14.091 -14.019 719 HD3 PRO 94 2HD PRO 94 0.432 14.399 -12.852 720 H SER 95 H SER 95 3.757 18.525 -12.019 721 HA SER 95 HA SER 95 6.386 17.403 -12.737 722 HB2 SER 95 1HB SER 95 5.044 19.969 -13.593 723 HB3 SER 95 2HB SER 95 6.767 19.674 -13.825 724 HG SER 95 HG SER 95 6.145 17.771 -15.011 725 H SER 96 H SER 96 7.780 17.529 -11.118 726 HA SER 96 HA SER 96 8.132 20.033 -9.700 727 HB2 SER 96 1HB SER 96 7.314 17.483 -8.301 728 HB3 SER 96 2HB SER 96 8.084 18.831 -7.465 729 HG SER 96 HG SER 96 5.865 19.396 -9.055 730 H GLY 97 H GLY 97 10.235 20.414 -9.425 731 HA2 GLY 97 1HA GLY 97 12.074 18.103 -9.549 732 HA3 GLY 97 2HA GLY 97 12.438 19.672 -10.252 Start of MODEL 19 1 H1 GLY 1 H GLY 1 7.769 -38.219 28.920 2 HA2 GLY 1 1HA GLY 1 9.172 -37.616 27.175 3 HA3 GLY 1 2HA GLY 1 9.896 -39.214 27.249 4 H SER 2 H SER 2 6.871 -37.606 26.286 5 HA SER 2 HA SER 2 6.451 -39.684 24.267 6 HB2 SER 2 1HB SER 2 4.664 -37.551 25.429 7 HB3 SER 2 2HB SER 2 4.214 -38.461 23.988 8 HG SER 2 HG SER 2 3.536 -39.275 26.168 9 H SER 3 H SER 3 5.378 -38.753 22.181 10 HA SER 3 HA SER 3 6.755 -36.310 21.320 11 HB2 SER 3 1HB SER 3 7.006 -39.048 20.130 12 HB3 SER 3 2HB SER 3 7.099 -37.638 19.075 13 HG SER 3 HG SER 3 9.150 -38.359 19.927 14 H GLY 4 H GLY 4 5.924 -35.545 19.162 15 HA2 GLY 4 1HA GLY 4 3.476 -36.465 18.107 16 HA3 GLY 4 2HA GLY 4 3.150 -35.187 19.268 17 H SER 5 H SER 5 4.962 -35.946 16.325 18 HA SER 5 HA SER 5 6.059 -33.616 15.575 19 HB2 SER 5 1HB SER 5 4.413 -35.487 13.864 20 HB3 SER 5 2HB SER 5 5.381 -34.172 13.199 21 HG SER 5 HG SER 5 7.086 -35.303 14.646 22 H SER 6 H SER 6 5.461 -31.580 15.215 23 HA SER 6 HA SER 6 3.003 -30.788 14.081 24 HB2 SER 6 1HB SER 6 1.971 -31.371 16.165 25 HB3 SER 6 2HB SER 6 3.229 -30.547 17.086 26 HG SER 6 HG SER 6 0.994 -29.530 15.853 27 H GLY 7 H GLY 7 3.394 -28.908 13.113 28 HA2 GLY 7 1HA GLY 7 5.575 -27.234 14.186 29 HA3 GLY 7 2HA GLY 7 5.135 -27.330 12.488 30 H GLU 8 H GLU 8 4.398 -25.918 15.569 31 HA GLU 8 HA GLU 8 1.966 -24.659 14.881 32 HB2 GLU 8 1HB GLU 8 3.213 -24.973 17.197 33 HB3 GLU 8 2HB GLU 8 3.843 -23.376 16.814 34 HG2 GLU 8 1HG GLU 8 1.360 -22.764 16.414 35 HG3 GLU 8 2HG GLU 8 1.031 -24.217 17.356 36 H GLN 9 H GLN 9 1.611 -23.081 13.478 37 HA GLN 9 HA GLN 9 3.780 -21.652 12.260 38 HB2 GLN 9 1HB GLN 9 0.814 -21.742 11.896 39 HB3 GLN 9 2HB GLN 9 1.714 -20.396 11.211 40 HG2 GLN 9 1HG GLN 9 2.656 -23.162 10.672 41 HG3 GLN 9 2HG GLN 9 1.230 -22.566 9.824 42 HE21 GLN 9 1HE2 GLN 9 2.919 -23.076 8.075 43 HE22 GLN 9 2HE2 GLN 9 3.879 -21.737 7.554 44 H GLU 10 H GLU 10 3.573 -19.214 11.972 45 HA GLU 10 HA GLU 10 2.895 -17.991 14.567 46 HB2 GLU 10 1HB GLU 10 4.712 -16.351 14.086 47 HB3 GLU 10 2HB GLU 10 5.283 -18.000 14.308 48 HG2 GLU 10 1HG GLU 10 5.793 -18.267 12.068 49 HG3 GLU 10 2HG GLU 10 4.726 -16.957 11.566 50 H ASP 11 H ASP 11 0.859 -18.088 12.876 51 HA ASP 11 HA ASP 11 0.629 -16.115 10.917 52 HB2 ASP 11 1HB ASP 11 -1.711 -16.827 12.649 53 HB3 ASP 11 2HB ASP 11 -1.653 -16.566 10.909 54 H ARG 12 H ARG 12 -0.494 -15.966 14.302 55 HA ARG 12 HA ARG 12 -1.486 -13.492 14.521 56 HB2 ARG 12 1HB ARG 12 -0.332 -13.356 16.800 57 HB3 ARG 12 2HB ARG 12 -1.361 -14.752 16.503 58 HG2 ARG 12 1HG ARG 12 0.553 -16.144 16.092 59 HG3 ARG 12 2HG ARG 12 1.634 -14.754 16.202 60 HD2 ARG 12 1HD ARG 12 1.804 -15.811 18.289 61 HD3 ARG 12 2HD ARG 12 0.724 -14.444 18.562 62 HE ARG 12 HE ARG 12 0.050 -17.254 18.678 63 HH11 ARG 12 1HH1 ARG 12 -1.126 -13.986 18.422 64 HH12 ARG 12 2HH1 ARG 12 -2.712 -14.372 19.004 65 HH21 ARG 12 1HH2 ARG 12 -2.034 -17.774 19.447 66 HH22 ARG 12 2HH2 ARG 12 -3.227 -16.528 19.588 67 H ALA 13 H ALA 13 1.882 -14.260 13.986 68 HA ALA 13 HA ALA 13 2.746 -11.517 14.338 69 HB1 ALA 13 1HB ALA 13 4.585 -12.651 14.889 70 HB2 ALA 13 2HB ALA 13 4.026 -14.115 14.080 71 HB3 ALA 13 3HB ALA 13 4.840 -12.853 13.156 72 H LEU 14 H LEU 14 2.402 -13.825 11.660 73 HA LEU 14 HA LEU 14 3.362 -12.241 9.595 74 HB2 LEU 14 1HB LEU 14 1.137 -14.271 9.547 75 HB3 LEU 14 2HB LEU 14 1.920 -13.607 8.115 76 HG LEU 14 HG LEU 14 3.502 -15.064 10.206 77 HD11 LEU 14 1HD1 LEU 14 1.567 -16.174 8.290 78 HD12 LEU 14 2HD1 LEU 14 2.215 -16.859 9.779 79 HD13 LEU 14 3HD1 LEU 14 3.159 -16.934 8.291 80 HD21 LEU 14 1HD2 LEU 14 3.980 -14.999 7.252 81 HD22 LEU 14 2HD2 LEU 14 5.129 -15.253 8.567 82 HD23 LEU 14 3HD2 LEU 14 4.469 -13.644 8.270 83 H ARG 15 H ARG 15 0.041 -12.499 10.836 84 HA ARG 15 HA ARG 15 -1.099 -10.649 9.041 85 HB2 ARG 15 1HB ARG 15 -2.996 -10.601 10.572 86 HB3 ARG 15 2HB ARG 15 -2.432 -12.251 10.339 87 HG2 ARG 15 1HG ARG 15 -1.236 -12.127 12.482 88 HG3 ARG 15 2HG ARG 15 -1.866 -10.495 12.719 89 HD2 ARG 15 1HD ARG 15 -3.231 -12.039 13.954 90 HD3 ARG 15 2HD ARG 15 -4.164 -11.418 12.593 91 HE ARG 15 HE ARG 15 -2.879 -13.840 11.891 92 HH11 ARG 15 1HH1 ARG 15 -5.536 -12.585 13.759 93 HH12 ARG 15 2HH1 ARG 15 -6.483 -14.029 13.626 94 HH21 ARG 15 1HH2 ARG 15 -4.117 -15.747 11.709 95 HH22 ARG 15 2HH2 ARG 15 -5.675 -15.827 12.460 96 H SER 16 H SER 16 0.733 -10.263 11.956 97 HA SER 16 HA SER 16 -0.021 -7.463 12.240 98 HB2 SER 16 1HB SER 16 1.507 -9.427 13.896 99 HB3 SER 16 2HB SER 16 1.822 -7.707 14.129 100 HG SER 16 HG SER 16 0.176 -8.107 15.481 101 H PHE 17 H PHE 17 1.385 -8.317 9.853 102 HA PHE 17 HA PHE 17 4.081 -7.266 10.163 103 HB2 PHE 17 1HB PHE 17 4.177 -9.053 8.707 104 HB3 PHE 17 2HB PHE 17 2.597 -8.707 8.011 105 HD1 PHE 17 2HD PHE 17 2.358 -6.907 6.332 106 HD2 PHE 17 1HD PHE 17 6.161 -8.148 7.785 107 HE1 PHE 17 2HE PHE 17 3.443 -5.812 4.415 108 HE2 PHE 17 1HE PHE 17 7.253 -7.054 5.869 109 HZ PHE 17 HZ PHE 17 5.893 -5.886 4.180 110 H LYS 18 H LYS 18 4.435 -5.159 10.048 111 HA LYS 18 HA LYS 18 2.551 -3.463 8.579 112 HB2 LYS 18 1HB LYS 18 2.899 -2.760 10.847 113 HB3 LYS 18 2HB LYS 18 4.646 -2.834 10.660 114 HG2 LYS 18 1HG LYS 18 4.732 -0.881 9.432 115 HG3 LYS 18 2HG LYS 18 3.038 -0.992 8.946 116 HD2 LYS 18 1HD LYS 18 3.691 -0.686 11.840 117 HD3 LYS 18 2HD LYS 18 3.813 0.723 10.785 118 HE2 LYS 18 1HE LYS 18 1.631 0.919 11.411 119 HE3 LYS 18 2HE LYS 18 1.429 -0.119 10.000 120 HZ1 LYS 18 1HZ LYS 18 0.361 -0.696 12.327 121 HZ2 LYS 18 2HZ LYS 18 1.866 -1.426 12.575 122 HZ3 LYS 18 3HZ LYS 18 0.900 -1.903 11.271 123 H LEU 19 H LEU 19 3.068 -2.661 6.658 124 HA LEU 19 HA LEU 19 5.906 -2.649 5.867 125 HB2 LEU 19 1HB LEU 19 4.772 -4.171 4.479 126 HB3 LEU 19 2HB LEU 19 3.391 -3.093 4.290 127 HG LEU 19 HG LEU 19 5.002 -1.553 3.027 128 HD11 LEU 19 1HD1 LEU 19 7.096 -2.182 2.621 129 HD12 LEU 19 2HD1 LEU 19 6.600 -3.808 2.152 130 HD13 LEU 19 3HD1 LEU 19 6.863 -3.423 3.853 131 HD21 LEU 19 1HD2 LEU 19 4.233 -4.236 1.881 132 HD22 LEU 19 2HD2 LEU 19 4.680 -2.813 0.940 133 HD23 LEU 19 3HD2 LEU 19 3.224 -2.791 1.936 134 H SER 20 H SER 20 6.626 -0.922 4.490 135 HA SER 20 HA SER 20 4.940 1.480 4.511 136 HB2 SER 20 1HB SER 20 7.590 1.115 5.814 137 HB3 SER 20 2HB SER 20 7.311 2.642 4.977 138 HG SER 20 HG SER 20 5.292 1.728 6.661 139 H VAL 21 H VAL 21 4.728 2.139 2.488 140 HA VAL 21 HA VAL 21 6.774 1.469 0.515 141 HB VAL 21 HB VAL 21 4.191 2.875 -0.099 142 HG11 VAL 21 1HG1 VAL 21 4.441 1.780 -2.254 143 HG12 VAL 21 2HG1 VAL 21 5.896 2.699 -1.860 144 HG13 VAL 21 3HG1 VAL 21 5.885 0.944 -1.682 145 HG21 VAL 21 1HG2 VAL 21 3.365 1.057 1.111 146 HG22 VAL 21 2HG2 VAL 21 3.330 0.500 -0.562 147 HG23 VAL 21 3HG2 VAL 21 4.620 -0.029 0.517 148 H THR 22 H THR 22 8.290 2.879 -0.026 149 HA THR 22 HA THR 22 8.157 5.619 0.846 150 HB THR 22 HB THR 22 10.257 4.420 -0.960 151 HG1 THR 22 1HG THR 22 10.179 4.424 1.892 152 HG21 THR 22 1HG2 THR 22 11.213 6.265 1.006 153 HG22 THR 22 2HG2 THR 22 9.863 6.993 0.136 154 HG23 THR 22 3HG2 THR 22 11.264 6.394 -0.752 155 H VAL 23 H VAL 23 6.589 6.707 -0.279 156 HA VAL 23 HA VAL 23 7.189 7.231 -3.096 157 HB VAL 23 HB VAL 23 4.544 6.268 -2.038 158 HG11 VAL 23 1HG1 VAL 23 5.081 8.032 -4.398 159 HG12 VAL 23 2HG1 VAL 23 3.725 6.904 -4.401 160 HG13 VAL 23 3HG1 VAL 23 3.821 8.166 -3.171 161 HG21 VAL 23 1HG2 VAL 23 6.409 5.457 -4.245 162 HG22 VAL 23 2HG2 VAL 23 5.801 4.491 -2.900 163 HG23 VAL 23 3HG2 VAL 23 4.723 4.940 -4.221 164 H ASP 24 H ASP 24 7.148 9.338 -3.538 165 HA ASP 24 HA ASP 24 6.966 11.357 -1.743 166 HB2 ASP 24 1HB ASP 24 6.390 11.273 -4.684 167 HB3 ASP 24 2HB ASP 24 6.149 12.771 -3.790 168 HA PRO 25 HA PRO 25 2.779 11.709 -0.437 169 HB2 PRO 25 1HB PRO 25 2.798 14.299 0.379 170 HB3 PRO 25 2HB PRO 25 3.583 13.000 1.286 171 HG2 PRO 25 1HG PRO 25 4.786 14.994 -0.596 172 HG3 PRO 25 2HG PRO 25 5.392 14.427 0.972 173 HD2 PRO 25 1HD PRO 25 6.347 13.491 -1.383 174 HD3 PRO 25 2HD PRO 25 6.258 12.487 0.078 175 H LYS 26 H LYS 26 3.968 13.069 -3.198 176 HA LYS 26 HA LYS 26 1.776 14.847 -3.801 177 HB2 LYS 26 1HB LYS 26 2.844 15.077 -5.992 178 HB3 LYS 26 2HB LYS 26 4.010 15.297 -4.696 179 HG2 LYS 26 1HG LYS 26 4.477 12.759 -5.067 180 HG3 LYS 26 2HG LYS 26 3.743 13.058 -6.644 181 HD2 LYS 26 1HD LYS 26 6.006 14.708 -5.534 182 HD3 LYS 26 2HD LYS 26 6.253 13.284 -6.548 183 HE2 LYS 26 1HE LYS 26 5.301 14.297 -8.413 184 HE3 LYS 26 2HE LYS 26 4.451 15.500 -7.445 185 HZ1 LYS 26 1HZ LYS 26 6.314 16.486 -8.603 186 HZ2 LYS 26 2HZ LYS 26 7.385 15.388 -7.891 187 HZ3 LYS 26 3HZ LYS 26 6.584 16.530 -6.933 188 H TYR 27 H TYR 27 2.829 11.614 -4.797 189 HA TYR 27 HA TYR 27 0.543 11.252 -6.520 190 HB2 TYR 27 1HB TYR 27 2.548 9.190 -5.588 191 HB3 TYR 27 2HB TYR 27 1.447 9.049 -6.955 192 HD1 TYR 27 2HD TYR 27 1.745 11.612 -8.310 193 HD2 TYR 27 1HD TYR 27 4.697 9.168 -6.461 194 HE1 TYR 27 2HE TYR 27 3.458 12.568 -9.792 195 HE2 TYR 27 1HE TYR 27 6.418 10.119 -7.937 196 HH TYR 27 HH TYR 27 5.702 12.785 -10.113 197 H HIS 28 H HIS 28 1.210 10.871 -3.212 198 HA HIS 28 HA HIS 28 -0.199 8.677 -2.388 199 HB2 HIS 28 1HB HIS 28 0.382 11.329 -1.204 200 HB3 HIS 28 2HB HIS 28 -0.916 10.410 -0.448 201 HD2 HIS 28 2HD HIS 28 2.076 8.332 -1.744 202 HE1 HIS 28 1HE HIS 28 2.432 8.642 2.472 203 HE2 HIS 28 2HE HIS 28 3.363 7.600 0.377 204 HA PRO 29 HA PRO 29 -4.338 11.159 -2.371 205 HB2 PRO 29 1HB PRO 29 -4.338 13.604 -3.552 206 HB3 PRO 29 2HB PRO 29 -3.963 13.362 -1.842 207 HG2 PRO 29 1HG PRO 29 -2.100 13.737 -4.155 208 HG3 PRO 29 2HG PRO 29 -2.026 14.450 -2.533 209 HD2 PRO 29 1HD PRO 29 -0.512 12.327 -3.263 210 HD3 PRO 29 2HD PRO 29 -1.106 12.550 -1.605 211 H LYS 30 H LYS 30 -2.212 10.732 -4.948 212 HA LYS 30 HA LYS 30 -4.268 11.021 -7.003 213 HB2 LYS 30 1HB LYS 30 -1.317 10.395 -7.175 214 HB3 LYS 30 2HB LYS 30 -2.387 10.467 -8.569 215 HG2 LYS 30 1HG LYS 30 -2.197 12.800 -6.715 216 HG3 LYS 30 2HG LYS 30 -0.948 12.528 -7.932 217 HD2 LYS 30 1HD LYS 30 -2.390 12.901 -9.689 218 HD3 LYS 30 2HD LYS 30 -3.817 12.454 -8.750 219 HE2 LYS 30 1HE LYS 30 -2.264 14.864 -7.942 220 HE3 LYS 30 2HE LYS 30 -3.307 14.967 -9.360 221 HZ1 LYS 30 1HZ LYS 30 -4.015 14.978 -6.610 222 HZ2 LYS 30 2HZ LYS 30 -4.817 13.731 -7.423 223 HZ3 LYS 30 3HZ LYS 30 -4.972 15.327 -7.962 224 H ILE 31 H ILE 31 -2.720 8.613 -5.098 225 HA ILE 31 HA ILE 31 -3.424 6.427 -6.867 226 HB ILE 31 HB ILE 31 -2.339 6.314 -4.051 227 HG12 ILE 31 1HG1 ILE 31 -0.688 5.758 -6.478 228 HG13 ILE 31 2HG1 ILE 31 -0.987 7.435 -6.032 229 HG21 ILE 31 1HG2 ILE 31 -2.988 4.275 -6.105 230 HG22 ILE 31 2HG2 ILE 31 -1.539 4.028 -5.133 231 HG23 ILE 31 3HG2 ILE 31 -3.108 4.193 -4.347 232 HD11 ILE 31 1HD1 ILE 31 -0.140 5.797 -3.785 233 HD12 ILE 31 2HD1 ILE 31 1.042 5.858 -5.094 234 HD13 ILE 31 3HD1 ILE 31 0.468 7.352 -4.354 235 H ILE 32 H ILE 32 -4.437 7.687 -3.712 236 HA ILE 32 HA ILE 32 -6.217 5.841 -2.842 237 HB ILE 32 HB ILE 32 -6.606 8.835 -2.859 238 HG12 ILE 32 1HG1 ILE 32 -5.748 7.085 -0.561 239 HG13 ILE 32 2HG1 ILE 32 -4.584 7.760 -1.695 240 HG21 ILE 32 1HG2 ILE 32 -8.009 6.807 -1.128 241 HG22 ILE 32 2HG2 ILE 32 -8.265 8.551 -1.151 242 HG23 ILE 32 3HG2 ILE 32 -8.727 7.574 -2.544 243 HD11 ILE 32 1HD1 ILE 32 -6.445 9.279 0.113 244 HD12 ILE 32 2HD1 ILE 32 -4.689 9.161 0.234 245 HD13 ILE 32 3HD1 ILE 32 -5.424 10.020 -1.120 246 H GLY 33 H GLY 33 -6.933 8.370 -5.248 247 HA2 GLY 33 1HA GLY 33 -8.235 7.641 -7.214 248 HA3 GLY 33 2HA GLY 33 -9.245 6.737 -6.096 249 H ARG 34 H ARG 34 -10.026 8.771 -8.030 250 HA ARG 34 HA ARG 34 -10.497 11.287 -7.137 251 HB2 ARG 34 1HB ARG 34 -12.182 9.398 -8.737 252 HB3 ARG 34 2HB ARG 34 -12.839 10.964 -8.280 253 HG2 ARG 34 1HG ARG 34 -10.165 10.813 -9.594 254 HG3 ARG 34 2HG ARG 34 -11.633 10.667 -10.561 255 HD2 ARG 34 1HD ARG 34 -11.304 12.933 -10.647 256 HD3 ARG 34 2HD ARG 34 -12.340 12.814 -9.225 257 HE ARG 34 HE ARG 34 -9.536 12.700 -8.616 258 HH11 ARG 34 1HH1 ARG 34 -12.253 14.798 -9.191 259 HH12 ARG 34 2HH1 ARG 34 -11.582 16.125 -8.302 260 HH21 ARG 34 1HH2 ARG 34 -8.643 14.439 -7.441 261 HH22 ARG 34 2HH2 ARG 34 -9.529 15.921 -7.308 262 H LYS 35 H LYS 35 -12.536 8.466 -6.388 263 HA LYS 35 HA LYS 35 -13.748 10.012 -4.197 264 HB2 LYS 35 1HB LYS 35 -15.557 8.319 -4.261 265 HB3 LYS 35 2HB LYS 35 -15.382 9.189 -5.779 266 HG2 LYS 35 1HG LYS 35 -13.972 7.224 -6.562 267 HG3 LYS 35 2HG LYS 35 -14.579 6.368 -5.143 268 HD2 LYS 35 1HD LYS 35 -16.911 7.106 -6.019 269 HD3 LYS 35 2HD LYS 35 -16.067 7.344 -7.551 270 HE2 LYS 35 1HE LYS 35 -15.180 4.955 -7.182 271 HE3 LYS 35 2HE LYS 35 -16.473 4.814 -5.991 272 HZ1 LYS 35 1HZ LYS 35 -17.939 5.664 -7.922 273 HZ2 LYS 35 2HZ LYS 35 -17.467 4.039 -7.897 274 HZ3 LYS 35 3HZ LYS 35 -16.671 5.136 -8.909 275 H GLY 36 H GLY 36 -11.773 7.287 -4.951 276 HA2 GLY 36 1HA GLY 36 -10.317 6.494 -3.153 277 HA3 GLY 36 2HA GLY 36 -11.705 6.601 -2.078 278 H ALA 37 H ALA 37 -12.067 5.346 -5.298 279 HA ALA 37 HA ALA 37 -12.791 2.754 -4.172 280 HB1 ALA 37 1HB ALA 37 -13.382 4.191 -6.703 281 HB2 ALA 37 2HB ALA 37 -13.412 2.427 -6.723 282 HB3 ALA 37 3HB ALA 37 -14.462 3.315 -5.618 283 H VAL 38 H VAL 38 -10.446 4.210 -6.342 284 HA VAL 38 HA VAL 38 -9.360 1.958 -7.537 285 HB VAL 38 HB VAL 38 -7.878 4.428 -6.624 286 HG11 VAL 38 1HG1 VAL 38 -6.761 2.107 -7.499 287 HG12 VAL 38 2HG1 VAL 38 -6.965 2.993 -9.013 288 HG13 VAL 38 3HG1 VAL 38 -6.039 3.706 -7.690 289 HG21 VAL 38 1HG2 VAL 38 -8.395 4.328 -9.431 290 HG22 VAL 38 2HG2 VAL 38 -9.911 4.113 -8.556 291 HG23 VAL 38 3HG2 VAL 38 -8.911 5.533 -8.252 292 H ILE 39 H ILE 39 -8.179 3.566 -4.577 293 HA ILE 39 HA ILE 39 -6.268 1.623 -3.921 294 HB ILE 39 HB ILE 39 -6.209 3.815 -2.895 295 HG12 ILE 39 1HG1 ILE 39 -5.959 3.124 -0.495 296 HG13 ILE 39 2HG1 ILE 39 -6.672 1.573 -0.919 297 HG21 ILE 39 1HG2 ILE 39 -7.861 4.742 -1.597 298 HG22 ILE 39 2HG2 ILE 39 -8.821 3.816 -2.748 299 HG23 ILE 39 3HG2 ILE 39 -8.525 3.177 -1.131 300 HD11 ILE 39 1HD1 ILE 39 -4.813 1.245 -2.540 301 HD12 ILE 39 2HD1 ILE 39 -4.072 2.713 -1.901 302 HD13 ILE 39 3HD1 ILE 39 -4.311 1.315 -0.851 303 H THR 40 H THR 40 -9.682 1.908 -3.090 304 HA THR 40 HA THR 40 -9.849 -0.074 -1.140 305 HB THR 40 HB THR 40 -11.917 0.732 -3.193 306 HG1 THR 40 1HG THR 40 -11.731 1.465 -0.450 307 HG21 THR 40 1HG2 THR 40 -12.215 -1.540 -2.035 308 HG22 THR 40 2HG2 THR 40 -13.552 -0.394 -1.940 309 HG23 THR 40 3HG2 THR 40 -12.475 -0.607 -0.561 310 H GLN 41 H GLN 41 -10.489 -0.385 -4.637 311 HA GLN 41 HA GLN 41 -11.014 -3.078 -4.762 312 HB2 GLN 41 1HB GLN 41 -11.233 -1.611 -6.692 313 HB3 GLN 41 2HB GLN 41 -9.489 -1.394 -6.756 314 HG2 GLN 41 1HG GLN 41 -10.211 -2.947 -8.457 315 HG3 GLN 41 2HG GLN 41 -9.214 -3.770 -7.258 316 HE21 GLN 41 1HE2 GLN 41 -9.933 -5.766 -7.068 317 HE22 GLN 41 2HE2 GLN 41 -11.586 -6.240 -6.898 318 H ILE 42 H ILE 42 -7.815 -1.550 -5.130 319 HA ILE 42 HA ILE 42 -6.298 -3.852 -5.407 320 HB ILE 42 HB ILE 42 -5.534 -1.259 -4.061 321 HG12 ILE 42 1HG1 ILE 42 -4.831 -2.208 -6.836 322 HG13 ILE 42 2HG1 ILE 42 -6.277 -1.261 -6.505 323 HG21 ILE 42 1HG2 ILE 42 -3.636 -2.242 -3.462 324 HG22 ILE 42 2HG2 ILE 42 -4.117 -3.744 -4.249 325 HG23 ILE 42 3HG2 ILE 42 -3.275 -2.497 -5.169 326 HD11 ILE 42 1HD1 ILE 42 -5.009 0.607 -5.826 327 HD12 ILE 42 2HD1 ILE 42 -3.521 -0.337 -5.765 328 HD13 ILE 42 3HD1 ILE 42 -4.276 0.019 -7.318 329 H ARG 43 H ARG 43 -7.305 -2.188 -2.443 330 HA ARG 43 HA ARG 43 -5.887 -3.700 -0.591 331 HB2 ARG 43 1HB ARG 43 -8.511 -2.242 -0.448 332 HB3 ARG 43 2HB ARG 43 -7.897 -3.135 0.937 333 HG2 ARG 43 1HG ARG 43 -6.080 -1.714 1.208 334 HG3 ARG 43 2HG ARG 43 -6.201 -1.091 -0.438 335 HD2 ARG 43 1HD ARG 43 -6.969 0.585 1.120 336 HD3 ARG 43 2HD ARG 43 -8.330 -0.001 0.162 337 HE ARG 43 HE ARG 43 -8.147 -1.473 2.558 338 HH11 ARG 43 1HH1 ARG 43 -9.013 1.684 1.375 339 HH12 ARG 43 2HH1 ARG 43 -10.133 2.001 2.658 340 HH21 ARG 43 1HH2 ARG 43 -9.619 -1.067 4.254 341 HH22 ARG 43 2HH2 ARG 43 -10.476 0.435 4.296 342 H LEU 44 H LEU 44 -9.316 -4.152 -1.483 343 HA LEU 44 HA LEU 44 -9.663 -6.589 -0.173 344 HB2 LEU 44 1HB LEU 44 -11.038 -5.388 -2.561 345 HB3 LEU 44 2HB LEU 44 -11.544 -6.916 -1.845 346 HG LEU 44 HG LEU 44 -11.388 -4.431 -0.178 347 HD11 LEU 44 1HD1 LEU 44 -13.910 -4.294 -0.694 348 HD12 LEU 44 2HD1 LEU 44 -13.501 -5.187 -2.159 349 HD13 LEU 44 3HD1 LEU 44 -12.768 -3.613 -1.854 350 HD21 LEU 44 1HD2 LEU 44 -11.947 -7.066 0.383 351 HD22 LEU 44 2HD2 LEU 44 -13.548 -6.342 0.229 352 HD23 LEU 44 3HD2 LEU 44 -12.387 -5.679 1.381 353 H GLU 45 H GLU 45 -8.619 -5.897 -3.481 354 HA GLU 45 HA GLU 45 -8.656 -8.358 -4.647 355 HB2 GLU 45 1HB GLU 45 -7.843 -6.200 -5.666 356 HB3 GLU 45 2HB GLU 45 -6.304 -6.477 -4.859 357 HG2 GLU 45 1HG GLU 45 -6.091 -7.212 -7.105 358 HG3 GLU 45 2HG GLU 45 -6.134 -8.643 -6.076 359 H HIS 46 H HIS 46 -5.997 -7.087 -2.644 360 HA HIS 46 HA HIS 46 -4.884 -9.788 -2.456 361 HB2 HIS 46 1HB HIS 46 -3.737 -7.134 -1.562 362 HB3 HIS 46 2HB HIS 46 -2.906 -8.684 -1.481 363 HD1 HIS 46 1HD HIS 46 -2.346 -9.811 -3.843 364 HD2 HIS 46 2HD HIS 46 -3.524 -5.828 -3.958 365 HE1 HIS 46 1HE HIS 46 -1.651 -8.969 -6.108 366 H ASP 47 H ASP 47 -7.082 -7.976 -0.842 367 HA ASP 47 HA ASP 47 -8.040 -8.093 1.218 368 HB2 ASP 47 1HB ASP 47 -7.720 -10.590 0.672 369 HB3 ASP 47 2HB ASP 47 -6.358 -10.524 1.787 370 H VAL 48 H VAL 48 -5.975 -6.336 1.038 371 HA VAL 48 HA VAL 48 -4.718 -6.569 3.692 372 HB VAL 48 HB VAL 48 -2.781 -5.260 2.752 373 HG11 VAL 48 1HG1 VAL 48 -2.350 -7.514 3.192 374 HG12 VAL 48 2HG1 VAL 48 -3.390 -8.065 1.878 375 HG13 VAL 48 3HG1 VAL 48 -1.840 -7.302 1.517 376 HG21 VAL 48 1HG2 VAL 48 -3.007 -4.409 0.708 377 HG22 VAL 48 2HG2 VAL 48 -2.858 -6.049 0.078 378 HG23 VAL 48 3HG2 VAL 48 -4.453 -5.370 0.402 379 H ASN 49 H ASN 49 -4.022 -4.432 4.571 380 HA ASN 49 HA ASN 49 -6.030 -2.393 3.896 381 HB2 ASN 49 1HB ASN 49 -6.175 -3.226 6.189 382 HB3 ASN 49 2HB ASN 49 -4.483 -2.822 6.461 383 HD21 ASN 49 1HD2 ASN 49 -3.893 -0.542 6.268 384 HD22 ASN 49 2HD2 ASN 49 -5.041 0.653 6.759 385 H ILE 50 H ILE 50 -5.437 -0.375 3.312 386 HA ILE 50 HA ILE 50 -2.573 0.299 3.410 387 HB ILE 50 HB ILE 50 -4.453 0.823 1.106 388 HG12 ILE 50 1HG1 ILE 50 -1.905 -0.795 1.117 389 HG13 ILE 50 2HG1 ILE 50 -3.488 -1.514 1.392 390 HG21 ILE 50 1HG2 ILE 50 -3.088 2.429 0.404 391 HG22 ILE 50 2HG2 ILE 50 -2.242 2.320 1.948 392 HG23 ILE 50 3HG2 ILE 50 -1.685 1.374 0.569 393 HD11 ILE 50 1HD1 ILE 50 -2.723 -1.751 -0.924 394 HD12 ILE 50 2HD1 ILE 50 -4.216 -0.820 -0.802 395 HD13 ILE 50 3HD1 ILE 50 -2.683 0.005 -1.076 396 H GLN 51 H GLN 51 -2.321 1.993 4.698 397 HA GLN 51 HA GLN 51 -4.384 4.095 4.675 398 HB2 GLN 51 1HB GLN 51 -3.830 2.654 6.826 399 HB3 GLN 51 2HB GLN 51 -2.505 3.799 6.973 400 HG2 GLN 51 1HG GLN 51 -4.458 4.470 8.278 401 HG3 GLN 51 2HG GLN 51 -4.057 5.647 7.029 402 HE21 GLN 51 1HE2 GLN 51 -5.469 6.007 5.366 403 HE22 GLN 51 2HE2 GLN 51 -7.066 5.352 5.320 404 H PHE 52 H PHE 52 -3.778 6.165 4.320 405 HA PHE 52 HA PHE 52 -0.945 6.612 3.690 406 HB2 PHE 52 1HB PHE 52 -3.380 8.205 2.859 407 HB3 PHE 52 2HB PHE 52 -1.724 8.524 2.353 408 HD1 PHE 52 2HD PHE 52 -4.577 6.238 2.035 409 HD2 PHE 52 1HD PHE 52 -0.668 7.209 0.662 410 HE1 PHE 52 2HE PHE 52 -4.874 4.716 0.125 411 HE2 PHE 52 1HE PHE 52 -0.959 5.689 -1.251 412 HZ PHE 52 HZ PHE 52 -3.063 4.439 -1.520 413 HA PRO 53 HA PRO 53 -0.406 9.326 7.102 414 HB2 PRO 53 1HB PRO 53 1.500 10.983 6.106 415 HB3 PRO 53 2HB PRO 53 1.833 9.313 6.584 416 HG2 PRO 53 1HG PRO 53 1.339 10.439 3.854 417 HG3 PRO 53 2HG PRO 53 2.551 9.253 4.373 418 HD2 PRO 53 1HD PRO 53 0.251 8.541 3.134 419 HD3 PRO 53 2HD PRO 53 1.039 7.512 4.347 420 H ASP 54 H ASP 54 -0.680 11.521 7.808 421 HA ASP 54 HA ASP 54 -2.317 13.118 5.953 422 HB2 ASP 54 1HB ASP 54 -3.216 12.134 8.241 423 HB3 ASP 54 2HB ASP 54 -2.415 13.556 8.906 424 H LYS 55 H LYS 55 -1.718 15.144 5.469 425 HA LYS 55 HA LYS 55 0.873 16.062 6.195 426 HB2 LYS 55 1HB LYS 55 0.368 18.007 4.840 427 HB3 LYS 55 2HB LYS 55 -0.181 16.555 4.014 428 HG2 LYS 55 1HG LYS 55 -1.994 17.878 3.683 429 HG3 LYS 55 2HG LYS 55 -2.452 17.155 5.228 430 HD2 LYS 55 1HD LYS 55 -1.598 19.107 6.411 431 HD3 LYS 55 2HD LYS 55 -1.081 19.823 4.883 432 HE2 LYS 55 1HE LYS 55 -3.264 20.218 4.188 433 HE3 LYS 55 2HE LYS 55 -3.937 19.032 5.305 434 HZ1 LYS 55 1HZ LYS 55 -4.195 21.518 5.832 435 HZ2 LYS 55 2HZ LYS 55 -2.579 21.441 6.327 436 HZ3 LYS 55 3HZ LYS 55 -3.742 20.474 7.083 437 H ASP 56 H ASP 56 -2.317 16.588 7.448 438 HA ASP 56 HA ASP 56 -1.963 19.021 8.775 439 HB2 ASP 56 1HB ASP 56 -4.134 17.798 8.487 440 HB3 ASP 56 2HB ASP 56 -3.617 16.685 9.752 441 H ASP 57 H ASP 57 -1.190 15.721 9.773 442 HA ASP 57 HA ASP 57 -0.437 16.349 12.425 443 HB2 ASP 57 1HB ASP 57 -0.915 14.040 11.279 444 HB3 ASP 57 2HB ASP 57 0.809 14.075 10.923 445 H GLY 58 H GLY 58 1.763 15.296 9.822 446 HA2 GLY 58 1HA GLY 58 3.662 16.558 9.099 447 HA3 GLY 58 2HA GLY 58 3.630 17.420 10.630 448 H ASN 59 H ASN 59 3.989 15.945 12.593 449 HA ASN 59 HA ASN 59 6.507 15.032 12.737 450 HB2 ASN 59 1HB ASN 59 4.134 13.757 14.116 451 HB3 ASN 59 2HB ASN 59 5.815 13.571 14.609 452 HD21 ASN 59 1HD2 ASN 59 6.898 15.933 14.609 453 HD22 ASN 59 2HD2 ASN 59 6.050 17.052 15.616 454 H GLN 60 H GLN 60 3.736 13.114 11.652 455 HA GLN 60 HA GLN 60 5.330 10.765 11.188 456 HB2 GLN 60 1HB GLN 60 3.242 9.883 10.139 457 HB3 GLN 60 2HB GLN 60 3.029 10.445 11.792 458 HG2 GLN 60 1HG GLN 60 1.905 12.390 11.097 459 HG3 GLN 60 2HG GLN 60 2.402 12.170 9.420 460 HE21 GLN 60 1HE2 GLN 60 -0.248 12.565 10.274 461 HE22 GLN 60 2HE2 GLN 60 -1.152 11.140 9.899 462 HA PRO 61 HA PRO 61 6.695 11.541 7.090 463 HB2 PRO 61 1HB PRO 61 6.655 9.038 6.042 464 HB3 PRO 61 2HB PRO 61 7.853 9.562 7.230 465 HG2 PRO 61 1HG PRO 61 5.349 7.975 7.640 466 HG3 PRO 61 2HG PRO 61 6.959 7.726 8.340 467 HD2 PRO 61 1HD PRO 61 4.945 8.915 9.705 468 HD3 PRO 61 2HD PRO 61 6.649 9.349 9.947 469 H GLN 62 H GLN 62 5.753 12.292 5.294 470 HA GLN 62 HA GLN 62 2.986 11.538 4.749 471 HB2 GLN 62 1HB GLN 62 4.699 13.758 3.617 472 HB3 GLN 62 2HB GLN 62 3.010 13.486 3.212 473 HG2 GLN 62 1HG GLN 62 4.193 14.403 5.803 474 HG3 GLN 62 2HG GLN 62 2.972 15.186 4.802 475 HE21 GLN 62 1HE2 GLN 62 3.328 13.810 7.649 476 HE22 GLN 62 2HE2 GLN 62 1.786 13.060 7.859 477 H ASP 63 H ASP 63 6.103 10.818 3.664 478 HA ASP 63 HA ASP 63 5.201 10.085 0.976 479 HB2 ASP 63 1HB ASP 63 7.412 10.095 0.311 480 HB3 ASP 63 2HB ASP 63 7.453 11.300 1.595 481 H GLN 64 H GLN 64 5.533 8.729 4.027 482 HA GLN 64 HA GLN 64 6.103 6.042 3.049 483 HB2 GLN 64 1HB GLN 64 5.767 7.195 5.815 484 HB3 GLN 64 2HB GLN 64 5.922 5.468 5.521 485 HG2 GLN 64 1HG GLN 64 7.976 7.306 4.402 486 HG3 GLN 64 2HG GLN 64 8.005 6.931 6.125 487 HE21 GLN 64 1HE2 GLN 64 8.119 5.542 2.903 488 HE22 GLN 64 2HE2 GLN 64 8.945 4.093 3.353 489 H ILE 65 H ILE 65 4.605 4.510 2.750 490 HA ILE 65 HA ILE 65 1.833 5.148 3.515 491 HB ILE 65 HB ILE 65 2.695 3.251 1.334 492 HG12 ILE 65 1HG1 ILE 65 1.821 6.141 1.123 493 HG13 ILE 65 2HG1 ILE 65 3.431 5.517 0.777 494 HG21 ILE 65 1HG2 ILE 65 0.551 2.624 1.746 495 HG22 ILE 65 2HG2 ILE 65 0.104 4.194 2.412 496 HG23 ILE 65 3HG2 ILE 65 0.223 3.980 0.666 497 HD11 ILE 65 1HD1 ILE 65 0.990 5.467 -0.852 498 HD12 ILE 65 2HD1 ILE 65 2.685 5.530 -1.336 499 HD13 ILE 65 3HD1 ILE 65 1.955 3.991 -0.879 500 H THR 66 H THR 66 1.234 4.067 5.270 501 HA THR 66 HA THR 66 2.488 1.648 6.121 502 HB THR 66 HB THR 66 0.331 1.694 7.693 503 HG1 THR 66 1HG THR 66 -0.467 3.538 6.356 504 HG21 THR 66 1HG2 THR 66 2.570 3.702 7.970 505 HG22 THR 66 2HG2 THR 66 2.708 1.988 8.362 506 HG23 THR 66 3HG2 THR 66 1.597 3.014 9.269 507 H ILE 67 H ILE 67 1.756 -0.438 6.054 508 HA ILE 67 HA ILE 67 -0.858 -1.023 4.927 509 HB ILE 67 HB ILE 67 1.667 -2.045 3.623 510 HG12 ILE 67 1HG1 ILE 67 -0.464 -0.138 2.633 511 HG13 ILE 67 2HG1 ILE 67 1.210 0.264 2.998 512 HG21 ILE 67 1HG2 ILE 67 0.448 -3.556 2.482 513 HG22 ILE 67 2HG2 ILE 67 -0.661 -3.396 3.843 514 HG23 ILE 67 3HG2 ILE 67 -0.951 -2.491 2.358 515 HD11 ILE 67 1HD1 ILE 67 1.014 0.106 0.647 516 HD12 ILE 67 2HD1 ILE 67 1.879 -1.334 1.187 517 HD13 ILE 67 3HD1 ILE 67 0.174 -1.440 0.754 518 H THR 68 H THR 68 -1.724 -2.575 6.119 519 HA THR 68 HA THR 68 0.058 -4.415 7.562 520 HB THR 68 HB THR 68 -2.849 -4.200 8.214 521 HG1 THR 68 1HG THR 68 -1.071 -2.435 9.478 522 HG21 THR 68 1HG2 THR 68 -1.758 -5.811 9.504 523 HG22 THR 68 2HG2 THR 68 -1.768 -4.392 10.552 524 HG23 THR 68 3HG2 THR 68 -0.304 -4.829 9.673 525 H GLY 69 H GLY 69 -0.474 -6.653 7.690 526 HA2 GLY 69 1HA GLY 69 -2.324 -8.262 6.876 527 HA3 GLY 69 2HA GLY 69 -1.921 -7.587 5.304 528 H TYR 70 H TYR 70 -1.593 -10.013 5.006 529 HA TYR 70 HA TYR 70 0.591 -11.348 6.151 530 HB2 TYR 70 1HB TYR 70 -0.847 -11.725 3.527 531 HB3 TYR 70 2HB TYR 70 0.445 -12.794 4.063 532 HD1 TYR 70 2HD TYR 70 0.002 -13.352 6.788 533 HD2 TYR 70 1HD TYR 70 -2.913 -12.710 3.755 534 HE1 TYR 70 2HE TYR 70 -1.622 -14.675 8.077 535 HE2 TYR 70 1HE TYR 70 -4.545 -14.030 5.037 536 HH TYR 70 HH TYR 70 -3.898 -15.096 8.291 537 H GLU 71 H GLU 71 2.713 -11.161 5.869 538 HA GLU 71 HA GLU 71 4.010 -9.145 4.608 539 HB2 GLU 71 1HB GLU 71 5.197 -10.612 6.093 540 HB3 GLU 71 2HB GLU 71 4.954 -11.983 5.019 541 HG2 GLU 71 1HG GLU 71 6.406 -10.993 3.364 542 HG3 GLU 71 2HG GLU 71 6.591 -9.547 4.354 543 H LYS 72 H LYS 72 2.887 -12.134 3.154 544 HA LYS 72 HA LYS 72 4.209 -11.736 0.650 545 HB2 LYS 72 1HB LYS 72 1.871 -13.504 1.391 546 HB3 LYS 72 2HB LYS 72 2.726 -13.563 -0.145 547 HG2 LYS 72 1HG LYS 72 4.159 -13.951 2.458 548 HG3 LYS 72 2HG LYS 72 3.338 -15.284 1.642 549 HD2 LYS 72 1HD LYS 72 5.294 -13.559 0.165 550 HD3 LYS 72 2HD LYS 72 5.857 -14.885 1.186 551 HE2 LYS 72 1HE LYS 72 4.823 -16.501 -0.137 552 HE3 LYS 72 2HE LYS 72 3.730 -15.333 -0.877 553 HZ1 LYS 72 1HZ LYS 72 5.702 -16.202 -2.237 554 HZ2 LYS 72 2HZ LYS 72 6.641 -15.146 -1.309 555 HZ3 LYS 72 3HZ LYS 72 5.383 -14.541 -2.265 556 H ASN 73 H ASN 73 0.760 -11.586 1.563 557 HA ASN 73 HA ASN 73 -0.175 -10.507 -0.829 558 HB2 ASN 73 1HB ASN 73 -1.218 -10.340 1.996 559 HB3 ASN 73 2HB ASN 73 -2.081 -9.626 0.637 560 HD21 ASN 73 1HD2 ASN 73 -3.343 -11.492 2.079 561 HD22 ASN 73 2HD2 ASN 73 -3.470 -12.972 1.199 562 H THR 74 H THR 74 0.513 -8.765 2.209 563 HA THR 74 HA THR 74 0.047 -6.200 1.533 564 HB THR 74 HB THR 74 2.109 -5.577 2.909 565 HG1 THR 74 1HG THR 74 2.353 -8.369 2.753 566 HG21 THR 74 1HG2 THR 74 0.628 -5.596 4.572 567 HG22 THR 74 2HG2 THR 74 0.834 -7.338 4.757 568 HG23 THR 74 3HG2 THR 74 -0.382 -6.705 3.649 569 H GLU 75 H GLU 75 3.097 -7.899 0.812 570 HA GLU 75 HA GLU 75 4.345 -5.810 -0.558 571 HB2 GLU 75 1HB GLU 75 4.641 -8.801 -0.858 572 HB3 GLU 75 2HB GLU 75 5.699 -7.633 -1.638 573 HG2 GLU 75 1HG GLU 75 5.297 -7.621 1.327 574 HG3 GLU 75 2HG GLU 75 6.461 -8.702 0.561 575 H ALA 76 H ALA 76 2.207 -8.373 -1.728 576 HA ALA 76 HA ALA 76 2.427 -7.861 -4.471 577 HB1 ALA 76 1HB ALA 76 0.738 -9.433 -2.745 578 HB2 ALA 76 2HB ALA 76 -0.196 -8.707 -4.054 579 HB3 ALA 76 3HB ALA 76 1.204 -9.715 -4.423 580 H ALA 77 H ALA 77 0.531 -6.306 -1.972 581 HA ALA 77 HA ALA 77 -1.038 -4.766 -3.850 582 HB1 ALA 77 1HB ALA 77 -0.832 -4.243 -0.901 583 HB2 ALA 77 2HB ALA 77 -2.173 -3.894 -1.994 584 HB3 ALA 77 3HB ALA 77 -1.805 -5.562 -1.551 585 H ARG 78 H ARG 78 1.583 -4.131 -1.536 586 HA ARG 78 HA ARG 78 1.812 -1.387 -1.893 587 HB2 ARG 78 1HB ARG 78 3.788 -1.532 -0.728 588 HB3 ARG 78 2HB ARG 78 3.059 -3.074 -0.297 589 HG2 ARG 78 1HG ARG 78 5.135 -3.795 -0.851 590 HG3 ARG 78 2HG ARG 78 4.381 -3.881 -2.443 591 HD2 ARG 78 1HD ARG 78 5.214 -1.385 -2.592 592 HD3 ARG 78 2HD ARG 78 6.365 -1.935 -1.375 593 HE ARG 78 HE ARG 78 6.168 -3.598 -3.734 594 HH11 ARG 78 1HH1 ARG 78 7.794 -0.956 -2.156 595 HH12 ARG 78 2HH1 ARG 78 9.229 -1.093 -3.117 596 HH21 ARG 78 1HH2 ARG 78 8.050 -3.788 -5.007 597 HH22 ARG 78 2HH2 ARG 78 9.373 -2.704 -4.739 598 H ASP 79 H ASP 79 2.655 -3.964 -4.017 599 HA ASP 79 HA ASP 79 4.595 -2.616 -5.585 600 HB2 ASP 79 1HB ASP 79 4.192 -5.104 -5.548 601 HB3 ASP 79 2HB ASP 79 2.741 -4.819 -6.504 602 H ALA 80 H ALA 80 1.106 -2.669 -5.584 603 HA ALA 80 HA ALA 80 0.659 -1.613 -8.157 604 HB1 ALA 80 1HB ALA 80 -1.548 -1.446 -7.560 605 HB2 ALA 80 2HB ALA 80 -0.984 -2.629 -6.379 606 HB3 ALA 80 3HB ALA 80 -1.179 -0.940 -5.911 607 H ILE 81 H ILE 81 0.963 -0.020 -4.993 608 HA ILE 81 HA ILE 81 0.454 2.586 -5.682 609 HB ILE 81 HB ILE 81 2.613 1.641 -3.792 610 HG12 ILE 81 1HG1 ILE 81 -0.191 2.496 -3.088 611 HG13 ILE 81 2HG1 ILE 81 0.210 0.820 -3.441 612 HG21 ILE 81 1HG2 ILE 81 1.142 4.264 -3.729 613 HG22 ILE 81 2HG2 ILE 81 2.563 3.787 -2.800 614 HG23 ILE 81 3HG2 ILE 81 2.695 4.055 -4.537 615 HD11 ILE 81 1HD1 ILE 81 0.471 2.229 -1.002 616 HD12 ILE 81 2HD1 ILE 81 0.846 0.541 -1.348 617 HD13 ILE 81 3HD1 ILE 81 2.086 1.779 -1.551 618 H LEU 82 H LEU 82 3.380 0.723 -6.255 619 HA LEU 82 HA LEU 82 4.896 2.969 -7.203 620 HB2 LEU 82 1HB LEU 82 5.461 0.050 -7.669 621 HB3 LEU 82 2HB LEU 82 6.605 1.390 -7.731 622 HG LEU 82 HG LEU 82 5.217 0.448 -5.224 623 HD11 LEU 82 1HD1 LEU 82 7.714 -0.413 -6.561 624 HD12 LEU 82 2HD1 LEU 82 6.602 -1.320 -5.536 625 HD13 LEU 82 3HD1 LEU 82 7.761 -0.206 -4.811 626 HD21 LEU 82 1HD2 LEU 82 7.609 1.817 -4.690 627 HD22 LEU 82 2HD2 LEU 82 5.961 2.351 -4.360 628 HD23 LEU 82 3HD2 LEU 82 6.741 2.785 -5.881 629 H ARG 83 H ARG 83 3.554 0.073 -8.799 630 HA ARG 83 HA ARG 83 4.136 0.515 -11.392 631 HB2 ARG 83 1HB ARG 83 2.538 -1.232 -10.205 632 HB3 ARG 83 2HB ARG 83 1.287 -0.149 -10.800 633 HG2 ARG 83 1HG ARG 83 1.917 -0.508 -13.052 634 HG3 ARG 83 2HG ARG 83 3.408 -1.321 -12.574 635 HD2 ARG 83 1HD ARG 83 2.279 -3.237 -11.869 636 HD3 ARG 83 2HD ARG 83 0.734 -2.395 -11.755 637 HE ARG 83 HE ARG 83 0.378 -2.835 -13.969 638 HH11 ARG 83 1HH1 ARG 83 3.755 -3.286 -13.255 639 HH12 ARG 83 2HH1 ARG 83 4.130 -3.945 -14.813 640 HH21 ARG 83 1HH2 ARG 83 0.860 -3.700 -16.024 641 HH22 ARG 83 2HH2 ARG 83 2.483 -4.179 -16.388 642 H ILE 84 H ILE 84 1.956 2.399 -9.444 643 HA ILE 84 HA ILE 84 0.843 3.824 -11.705 644 HB ILE 84 HB ILE 84 0.578 4.550 -8.791 645 HG12 ILE 84 1HG1 ILE 84 -1.477 2.956 -10.278 646 HG13 ILE 84 2HG1 ILE 84 -0.101 2.132 -9.553 647 HG21 ILE 84 1HG2 ILE 84 -0.156 5.959 -10.986 648 HG22 ILE 84 2HG2 ILE 84 -1.618 5.022 -10.681 649 HG23 ILE 84 3HG2 ILE 84 -0.960 6.064 -9.420 650 HD11 ILE 84 1HD1 ILE 84 -1.120 2.145 -7.595 651 HD12 ILE 84 2HD1 ILE 84 -1.200 3.906 -7.629 652 HD13 ILE 84 3HD1 ILE 84 -2.506 2.951 -8.330 653 H VAL 85 H VAL 85 2.605 4.897 -8.791 654 HA VAL 85 HA VAL 85 3.218 7.432 -9.314 655 HB VAL 85 HB VAL 85 5.118 5.312 -8.329 656 HG11 VAL 85 1HG1 VAL 85 5.654 8.095 -9.039 657 HG12 VAL 85 2HG1 VAL 85 6.121 7.674 -7.390 658 HG13 VAL 85 3HG1 VAL 85 6.772 6.761 -8.751 659 HG21 VAL 85 1HG2 VAL 85 3.647 5.525 -6.623 660 HG22 VAL 85 2HG2 VAL 85 4.646 6.926 -6.236 661 HG23 VAL 85 3HG2 VAL 85 3.136 7.138 -7.121 662 H GLY 86 H GLY 86 4.579 4.686 -11.032 663 HA2 GLY 86 1HA GLY 86 6.593 6.092 -12.437 664 HA3 GLY 86 2HA GLY 86 5.895 4.550 -12.910 665 H GLU 87 H GLU 87 3.298 5.150 -13.406 666 HA GLU 87 HA GLU 87 3.457 6.399 -15.952 667 HB2 GLU 87 1HB GLU 87 1.116 5.930 -16.155 668 HB3 GLU 87 2HB GLU 87 1.869 4.563 -15.348 669 HG2 GLU 87 1HG GLU 87 0.961 5.144 -13.268 670 HG3 GLU 87 2HG GLU 87 0.542 6.767 -13.813 671 H LEU 88 H LEU 88 2.305 7.435 -12.792 672 HA LEU 88 HA LEU 88 1.002 9.789 -13.552 673 HB2 LEU 88 1HB LEU 88 2.570 9.435 -11.011 674 HB3 LEU 88 2HB LEU 88 1.167 10.467 -11.282 675 HG LEU 88 HG LEU 88 1.155 7.449 -11.213 676 HD11 LEU 88 1HD1 LEU 88 1.428 8.997 -9.067 677 HD12 LEU 88 2HD1 LEU 88 0.441 7.534 -9.061 678 HD13 LEU 88 3HD1 LEU 88 -0.322 9.112 -9.256 679 HD21 LEU 88 1HD2 LEU 88 -1.171 9.360 -11.366 680 HD22 LEU 88 2HD2 LEU 88 -1.227 7.597 -11.404 681 HD23 LEU 88 3HD2 LEU 88 -0.511 8.487 -12.749 682 H GLU 89 H GLU 89 4.363 9.329 -12.460 683 HA GLU 89 HA GLU 89 5.351 11.839 -12.498 684 HB2 GLU 89 1HB GLU 89 6.522 9.470 -12.298 685 HB3 GLU 89 2HB GLU 89 6.948 9.795 -13.972 686 HG2 GLU 89 1HG GLU 89 7.518 11.722 -11.742 687 HG3 GLU 89 2HG GLU 89 8.645 10.462 -12.240 688 H GLN 90 H GLN 90 5.007 9.792 -15.389 689 HA GLN 90 HA GLN 90 5.823 11.873 -17.174 690 HB2 GLN 90 1HB GLN 90 4.515 9.192 -17.628 691 HB3 GLN 90 2HB GLN 90 4.957 10.279 -18.937 692 HG2 GLN 90 1HG GLN 90 7.310 10.209 -17.810 693 HG3 GLN 90 2HG GLN 90 6.702 8.714 -17.103 694 HE21 GLN 90 1HE2 GLN 90 8.444 7.725 -18.316 695 HE22 GLN 90 2HE2 GLN 90 8.198 7.330 -19.978 696 H MET 91 H MET 91 2.727 10.524 -16.143 697 HA MET 91 HA MET 91 0.903 11.517 -17.832 698 HB2 MET 91 1HB MET 91 0.684 10.474 -15.405 699 HB3 MET 91 2HB MET 91 0.421 12.154 -14.957 700 HG2 MET 91 1HG MET 91 -1.284 12.026 -16.983 701 HG3 MET 91 2HG MET 91 -1.273 10.320 -16.546 702 HE1 MET 91 1HE MET 91 -4.516 12.329 -15.053 703 HE2 MET 91 2HE MET 91 -3.530 12.922 -16.389 704 HE3 MET 91 3HE MET 91 -4.030 11.231 -16.345 705 H SER 92 H SER 92 0.695 13.396 -18.837 706 HA SER 92 HA SER 92 1.890 15.800 -17.811 707 HB2 SER 92 1HB SER 92 0.269 15.187 -20.282 708 HB3 SER 92 2HB SER 92 0.819 16.817 -19.892 709 HG SER 92 HG SER 92 2.704 14.760 -19.842 710 H GLY 93 H GLY 93 -1.455 14.986 -18.769 711 HA2 GLY 93 1HA GLY 93 -2.913 15.619 -16.637 712 HA3 GLY 93 2HA GLY 93 -2.446 17.222 -17.185 713 HA PRO 94 HA PRO 94 -6.274 15.508 -19.443 714 HB2 PRO 94 1HB PRO 94 -8.175 16.967 -18.168 715 HB3 PRO 94 2HB PRO 94 -7.675 15.361 -17.628 716 HG2 PRO 94 1HG PRO 94 -6.844 18.047 -16.603 717 HG3 PRO 94 2HG PRO 94 -7.265 16.584 -15.693 718 HD2 PRO 94 1HD PRO 94 -4.702 17.340 -16.131 719 HD3 PRO 94 2HD PRO 94 -5.188 15.636 -16.012 720 H SER 95 H SER 95 -5.709 16.587 -21.295 721 HA SER 95 HA SER 95 -5.174 19.236 -21.694 722 HB2 SER 95 1HB SER 95 -5.985 18.902 -24.037 723 HB3 SER 95 2HB SER 95 -4.902 17.627 -23.481 724 HG SER 95 HG SER 95 -6.574 16.556 -24.371 725 H SER 96 H SER 96 -6.595 20.812 -22.975 726 HA SER 96 HA SER 96 -9.363 20.801 -22.000 727 HB2 SER 96 1HB SER 96 -9.159 23.210 -21.416 728 HB3 SER 96 2HB SER 96 -8.132 22.180 -20.419 729 HG SER 96 HG SER 96 -7.168 23.432 -22.761 730 H GLY 97 H GLY 97 -10.607 22.692 -23.055 731 HA2 GLY 97 1HA GLY 97 -10.239 24.170 -25.161 732 HA3 GLY 97 2HA GLY 97 -9.972 22.608 -25.922 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.952 -24.299 36.673 2 HA2 GLY 1 1HA GLY 1 1.090 -23.756 35.444 3 HA3 GLY 1 2HA GLY 1 0.985 -22.300 36.424 4 H SER 2 H SER 2 1.802 -20.371 35.648 5 HA SER 2 HA SER 2 2.951 -20.401 32.945 6 HB2 SER 2 1HB SER 2 0.630 -18.683 33.855 7 HB3 SER 2 2HB SER 2 1.492 -18.476 32.330 8 HG SER 2 HG SER 2 -0.181 -19.757 31.807 9 H SER 3 H SER 3 3.804 -18.184 32.345 10 HA SER 3 HA SER 3 5.177 -17.065 34.688 11 HB2 SER 3 1HB SER 3 5.896 -17.018 31.749 12 HB3 SER 3 2HB SER 3 6.797 -16.160 32.998 13 HG SER 3 HG SER 3 7.376 -18.475 32.286 14 H GLY 4 H GLY 4 3.687 -16.035 31.617 15 HA2 GLY 4 1HA GLY 4 2.308 -13.870 32.826 16 HA3 GLY 4 2HA GLY 4 3.761 -13.290 32.028 17 H SER 5 H SER 5 4.008 -13.811 29.724 18 HA SER 5 HA SER 5 1.389 -14.030 28.387 19 HB2 SER 5 1HB SER 5 3.775 -12.394 27.492 20 HB3 SER 5 2HB SER 5 2.226 -12.509 26.657 21 HG SER 5 HG SER 5 2.938 -11.018 28.845 22 H SER 6 H SER 6 1.454 -16.169 27.849 23 HA SER 6 HA SER 6 3.755 -17.095 26.268 24 HB2 SER 6 1HB SER 6 1.819 -18.486 28.076 25 HB3 SER 6 2HB SER 6 2.547 -19.395 26.751 26 HG SER 6 HG SER 6 3.915 -18.002 28.812 27 H GLY 7 H GLY 7 3.417 -16.893 24.154 28 HA2 GLY 7 1HA GLY 7 0.718 -17.501 23.117 29 HA3 GLY 7 2HA GLY 7 1.807 -16.333 22.382 30 H GLU 8 H GLU 8 0.687 -19.491 22.291 31 HA GLU 8 HA GLU 8 3.062 -20.633 21.082 32 HB2 GLU 8 1HB GLU 8 1.853 -22.692 21.006 33 HB3 GLU 8 2HB GLU 8 1.515 -21.945 22.561 34 HG2 GLU 8 1HG GLU 8 -0.352 -21.430 20.309 35 HG3 GLU 8 2HG GLU 8 -0.391 -23.006 21.097 36 H GLN 9 H GLN 9 0.809 -18.549 20.010 37 HA GLN 9 HA GLN 9 0.279 -19.733 17.426 38 HB2 GLN 9 1HB GLN 9 -0.386 -17.071 18.669 39 HB3 GLN 9 2HB GLN 9 -0.725 -17.422 16.979 40 HG2 GLN 9 1HG GLN 9 -1.759 -19.067 19.274 41 HG3 GLN 9 2HG GLN 9 -2.650 -17.743 18.525 42 HE21 GLN 9 1HE2 GLN 9 -3.967 -18.257 16.934 43 HE22 GLN 9 2HE2 GLN 9 -3.908 -19.703 15.990 44 H GLU 10 H GLU 10 1.222 -19.219 15.504 45 HA GLU 10 HA GLU 10 3.633 -17.542 15.660 46 HB2 GLU 10 1HB GLU 10 4.519 -18.810 13.816 47 HB3 GLU 10 2HB GLU 10 3.951 -19.933 15.044 48 HG2 GLU 10 1HG GLU 10 3.194 -20.883 13.084 49 HG3 GLU 10 2HG GLU 10 1.781 -20.004 13.662 50 H ASP 11 H ASP 11 0.694 -18.142 13.836 51 HA ASP 11 HA ASP 11 1.181 -16.393 11.690 52 HB2 ASP 11 1HB ASP 11 -1.265 -16.432 11.357 53 HB3 ASP 11 2HB ASP 11 -0.611 -18.047 11.622 54 H ARG 12 H ARG 12 0.082 -15.844 14.953 55 HA ARG 12 HA ARG 12 -1.163 -13.415 14.829 56 HB2 ARG 12 1HB ARG 12 -0.313 -12.981 17.088 57 HB3 ARG 12 2HB ARG 12 -0.851 -14.645 16.915 58 HG2 ARG 12 1HG ARG 12 1.376 -15.450 16.825 59 HG3 ARG 12 2HG ARG 12 2.026 -13.819 16.654 60 HD2 ARG 12 1HD ARG 12 0.385 -14.448 19.054 61 HD3 ARG 12 2HD ARG 12 2.030 -15.077 18.976 62 HE ARG 12 HE ARG 12 2.028 -12.331 18.342 63 HH11 ARG 12 1HH1 ARG 12 1.613 -14.492 21.039 64 HH12 ARG 12 2HH1 ARG 12 2.173 -13.345 22.212 65 HH21 ARG 12 1HH2 ARG 12 2.767 -10.813 19.876 66 HH22 ARG 12 2HH2 ARG 12 2.828 -11.253 21.549 67 H ALA 13 H ALA 13 2.164 -14.119 14.191 68 HA ALA 13 HA ALA 13 2.959 -11.321 14.301 69 HB1 ALA 13 1HB ALA 13 4.805 -13.341 13.184 70 HB2 ALA 13 2HB ALA 13 5.104 -12.044 14.342 71 HB3 ALA 13 3HB ALA 13 4.342 -13.543 14.873 72 H LEU 14 H LEU 14 2.156 -13.780 11.949 73 HA LEU 14 HA LEU 14 3.182 -12.478 9.659 74 HB2 LEU 14 1HB LEU 14 1.009 -14.523 10.029 75 HB3 LEU 14 2HB LEU 14 1.506 -13.933 8.444 76 HG LEU 14 HG LEU 14 3.391 -15.276 10.371 77 HD11 LEU 14 1HD1 LEU 14 1.246 -16.507 9.163 78 HD12 LEU 14 2HD1 LEU 14 2.713 -17.301 9.734 79 HD13 LEU 14 3HD1 LEU 14 2.574 -16.816 8.044 80 HD21 LEU 14 1HD2 LEU 14 3.546 -14.747 7.405 81 HD22 LEU 14 2HD2 LEU 14 4.762 -15.577 8.376 82 HD23 LEU 14 3HD2 LEU 14 4.424 -13.869 8.658 83 H ARG 15 H ARG 15 0.024 -12.404 11.250 84 HA ARG 15 HA ARG 15 -1.129 -10.657 9.280 85 HB2 ARG 15 1HB ARG 15 -3.109 -10.793 10.516 86 HB3 ARG 15 2HB ARG 15 -2.348 -12.354 10.791 87 HG2 ARG 15 1HG ARG 15 -1.622 -11.699 12.966 88 HG3 ARG 15 2HG ARG 15 -2.120 -10.030 12.686 89 HD2 ARG 15 1HD ARG 15 -4.024 -12.364 12.660 90 HD3 ARG 15 2HD ARG 15 -3.683 -11.404 14.099 91 HE ARG 15 HE ARG 15 -5.349 -10.670 11.892 92 HH11 ARG 15 1HH1 ARG 15 -3.295 -9.440 14.418 93 HH12 ARG 15 2HH1 ARG 15 -4.078 -7.897 14.484 94 HH21 ARG 15 1HH2 ARG 15 -6.390 -8.641 11.968 95 HH22 ARG 15 2HH2 ARG 15 -5.840 -7.443 13.090 96 H SER 16 H SER 16 0.964 -10.224 11.874 97 HA SER 16 HA SER 16 0.098 -7.459 12.337 98 HB2 SER 16 1HB SER 16 0.594 -9.107 14.256 99 HB3 SER 16 2HB SER 16 2.292 -8.873 13.843 100 HG SER 16 HG SER 16 1.633 -7.412 15.455 101 H PHE 17 H PHE 17 1.542 -8.504 9.929 102 HA PHE 17 HA PHE 17 4.181 -7.343 10.100 103 HB2 PHE 17 1HB PHE 17 4.178 -9.169 8.665 104 HB3 PHE 17 2HB PHE 17 2.613 -8.752 7.974 105 HD1 PHE 17 2HD PHE 17 2.455 -6.874 6.347 106 HD2 PHE 17 1HD PHE 17 6.188 -8.397 7.710 107 HE1 PHE 17 2HE PHE 17 3.582 -5.809 4.437 108 HE2 PHE 17 1HE PHE 17 7.321 -7.334 5.803 109 HZ PHE 17 HZ PHE 17 6.019 -6.040 4.162 110 H LYS 18 H LYS 18 4.558 -5.247 9.907 111 HA LYS 18 HA LYS 18 2.621 -3.585 8.445 112 HB2 LYS 18 1HB LYS 18 2.867 -2.916 10.752 113 HB3 LYS 18 2HB LYS 18 4.618 -2.871 10.596 114 HG2 LYS 18 1HG LYS 18 4.347 -1.040 8.922 115 HG3 LYS 18 2HG LYS 18 2.625 -1.021 9.310 116 HD2 LYS 18 1HD LYS 18 4.777 -0.683 11.389 117 HD3 LYS 18 2HD LYS 18 4.058 0.676 10.521 118 HE2 LYS 18 1HE LYS 18 1.904 0.208 11.412 119 HE3 LYS 18 2HE LYS 18 2.438 -1.343 12.057 120 HZ1 LYS 18 1HZ LYS 18 2.453 1.137 13.328 121 HZ2 LYS 18 2HZ LYS 18 4.069 0.691 13.101 122 HZ3 LYS 18 3HZ LYS 18 3.015 -0.342 13.928 123 H LEU 19 H LEU 19 3.200 -2.744 6.556 124 HA LEU 19 HA LEU 19 6.073 -2.576 5.923 125 HB2 LEU 19 1HB LEU 19 5.171 -4.231 4.523 126 HB3 LEU 19 2HB LEU 19 3.712 -3.293 4.216 127 HG LEU 19 HG LEU 19 5.384 -1.637 3.061 128 HD11 LEU 19 1HD1 LEU 19 7.454 -2.336 2.619 129 HD12 LEU 19 2HD1 LEU 19 6.905 -3.951 2.173 130 HD13 LEU 19 3HD1 LEU 19 7.184 -3.552 3.867 131 HD21 LEU 19 1HD2 LEU 19 4.066 -2.338 1.414 132 HD22 LEU 19 2HD2 LEU 19 3.849 -3.914 2.175 133 HD23 LEU 19 3HD2 LEU 19 5.232 -3.627 1.117 134 H SER 20 H SER 20 6.825 -0.766 4.824 135 HA SER 20 HA SER 20 4.923 1.473 4.601 136 HB2 SER 20 1HB SER 20 7.562 1.320 5.964 137 HB3 SER 20 2HB SER 20 7.199 2.807 5.088 138 HG SER 20 HG SER 20 6.245 1.947 7.462 139 H VAL 21 H VAL 21 4.693 2.019 2.544 140 HA VAL 21 HA VAL 21 6.788 1.434 0.614 141 HB VAL 21 HB VAL 21 4.181 2.788 -0.022 142 HG11 VAL 21 1HG1 VAL 21 4.660 1.131 -2.061 143 HG12 VAL 21 2HG1 VAL 21 5.328 2.763 -1.981 144 HG13 VAL 21 3HG1 VAL 21 6.317 1.379 -1.510 145 HG21 VAL 21 1HG2 VAL 21 4.678 -0.097 0.614 146 HG22 VAL 21 2HG2 VAL 21 3.370 0.953 1.160 147 HG23 VAL 21 3HG2 VAL 21 3.402 0.378 -0.506 148 H THR 22 H THR 22 8.238 2.868 -0.042 149 HA THR 22 HA THR 22 8.066 5.617 0.838 150 HB THR 22 HB THR 22 10.205 4.331 -0.868 151 HG1 THR 22 1HG THR 22 10.600 3.288 0.938 152 HG21 THR 22 1HG2 THR 22 10.797 6.572 0.965 153 HG22 THR 22 2HG2 THR 22 9.825 6.968 -0.452 154 HG23 THR 22 3HG2 THR 22 11.417 6.234 -0.650 155 H VAL 23 H VAL 23 6.560 6.731 -0.312 156 HA VAL 23 HA VAL 23 7.166 7.195 -3.132 157 HB VAL 23 HB VAL 23 4.450 6.346 -2.124 158 HG11 VAL 23 1HG1 VAL 23 5.259 7.712 -4.670 159 HG12 VAL 23 2HG1 VAL 23 3.828 6.681 -4.590 160 HG13 VAL 23 3HG1 VAL 23 3.944 8.114 -3.567 161 HG21 VAL 23 1HG2 VAL 23 4.645 4.561 -3.734 162 HG22 VAL 23 2HG2 VAL 23 6.181 5.204 -4.316 163 HG23 VAL 23 3HG2 VAL 23 6.061 4.549 -2.683 164 H ASP 24 H ASP 24 7.114 9.295 -3.595 165 HA ASP 24 HA ASP 24 6.900 11.345 -1.861 166 HB2 ASP 24 1HB ASP 24 5.933 11.409 -4.728 167 HB3 ASP 24 2HB ASP 24 6.357 12.819 -3.761 168 HA PRO 25 HA PRO 25 2.737 11.642 -0.468 169 HB2 PRO 25 1HB PRO 25 2.723 14.249 0.295 170 HB3 PRO 25 2HB PRO 25 3.553 12.984 1.209 171 HG2 PRO 25 1HG PRO 25 4.676 14.961 -0.738 172 HG3 PRO 25 2HG PRO 25 5.327 14.439 0.826 173 HD2 PRO 25 1HD PRO 25 6.247 13.473 -1.531 174 HD3 PRO 25 2HD PRO 25 6.211 12.498 -0.048 175 H LYS 26 H LYS 26 3.950 13.344 -3.149 176 HA LYS 26 HA LYS 26 1.661 14.923 -3.766 177 HB2 LYS 26 1HB LYS 26 2.701 15.226 -5.952 178 HB3 LYS 26 2HB LYS 26 3.889 15.428 -4.672 179 HG2 LYS 26 1HG LYS 26 4.695 13.147 -5.074 180 HG3 LYS 26 2HG LYS 26 3.522 12.976 -6.382 181 HD2 LYS 26 1HD LYS 26 5.349 13.611 -7.596 182 HD3 LYS 26 2HD LYS 26 4.683 15.203 -7.222 183 HE2 LYS 26 1HE LYS 26 6.715 13.882 -5.450 184 HE3 LYS 26 2HE LYS 26 7.192 14.835 -6.855 185 HZ1 LYS 26 1HZ LYS 26 7.219 16.364 -5.143 186 HZ2 LYS 26 2HZ LYS 26 5.848 15.724 -4.388 187 HZ3 LYS 26 3HZ LYS 26 5.687 16.620 -5.814 188 H TYR 27 H TYR 27 2.781 11.717 -4.759 189 HA TYR 27 HA TYR 27 0.512 11.304 -6.494 190 HB2 TYR 27 1HB TYR 27 2.522 9.261 -5.537 191 HB3 TYR 27 2HB TYR 27 1.464 9.136 -6.938 192 HD1 TYR 27 2HD TYR 27 1.800 11.756 -8.210 193 HD2 TYR 27 1HD TYR 27 4.689 9.224 -6.381 194 HE1 TYR 27 2HE TYR 27 3.553 12.741 -9.626 195 HE2 TYR 27 1HE TYR 27 6.450 10.203 -7.792 196 HH TYR 27 HH TYR 27 6.026 11.720 -10.471 197 H HIS 28 H HIS 28 1.265 10.812 -3.183 198 HA HIS 28 HA HIS 28 -0.171 8.639 -2.390 199 HB2 HIS 28 1HB HIS 28 0.450 11.257 -1.150 200 HB3 HIS 28 2HB HIS 28 -0.845 10.331 -0.398 201 HD2 HIS 28 2HD HIS 28 2.060 8.207 -1.782 202 HE1 HIS 28 1HE HIS 28 2.569 8.503 2.420 203 HE2 HIS 28 2HE HIS 28 3.400 7.440 0.294 204 HA PRO 29 HA PRO 29 -4.287 11.157 -2.251 205 HB2 PRO 29 1HB PRO 29 -4.283 13.629 -3.373 206 HB3 PRO 29 2HB PRO 29 -3.884 13.344 -1.676 207 HG2 PRO 29 1HG PRO 29 -2.053 13.758 -4.007 208 HG3 PRO 29 2HG PRO 29 -1.949 14.430 -2.370 209 HD2 PRO 29 1HD PRO 29 -0.465 12.312 -3.172 210 HD3 PRO 29 2HD PRO 29 -1.032 12.502 -1.502 211 H LYS 30 H LYS 30 -2.203 10.777 -4.870 212 HA LYS 30 HA LYS 30 -4.293 11.124 -6.884 213 HB2 LYS 30 1HB LYS 30 -1.347 10.494 -7.128 214 HB3 LYS 30 2HB LYS 30 -2.445 10.623 -8.497 215 HG2 LYS 30 1HG LYS 30 -2.066 12.868 -6.542 216 HG3 LYS 30 2HG LYS 30 -1.022 12.653 -7.949 217 HD2 LYS 30 1HD LYS 30 -4.018 12.782 -8.177 218 HD3 LYS 30 2HD LYS 30 -3.007 14.229 -8.210 219 HE2 LYS 30 1HE LYS 30 -2.004 13.633 -10.216 220 HE3 LYS 30 2HE LYS 30 -2.412 11.929 -10.029 221 HZ1 LYS 30 1HZ LYS 30 -3.789 13.812 -11.491 222 HZ2 LYS 30 2HZ LYS 30 -4.756 13.525 -10.133 223 HZ3 LYS 30 3HZ LYS 30 -4.295 12.238 -11.129 224 H ILE 31 H ILE 31 -2.817 8.683 -5.007 225 HA ILE 31 HA ILE 31 -3.512 6.534 -6.840 226 HB ILE 31 HB ILE 31 -2.363 6.399 -4.049 227 HG12 ILE 31 1HG1 ILE 31 -0.829 5.743 -6.530 228 HG13 ILE 31 2HG1 ILE 31 -1.048 7.435 -6.097 229 HG21 ILE 31 1HG2 ILE 31 -3.183 4.345 -6.018 230 HG22 ILE 31 2HG2 ILE 31 -1.680 4.066 -5.139 231 HG23 ILE 31 3HG2 ILE 31 -3.189 4.295 -4.255 232 HD11 ILE 31 1HD1 ILE 31 0.269 7.272 -4.242 233 HD12 ILE 31 2HD1 ILE 31 -0.057 5.551 -4.025 234 HD13 ILE 31 3HD1 ILE 31 1.045 6.087 -5.294 235 H ILE 32 H ILE 32 -4.574 7.863 -3.750 236 HA ILE 32 HA ILE 32 -6.327 5.975 -2.848 237 HB ILE 32 HB ILE 32 -6.722 8.968 -2.866 238 HG12 ILE 32 1HG1 ILE 32 -5.860 7.232 -0.561 239 HG13 ILE 32 2HG1 ILE 32 -4.693 7.887 -1.706 240 HG21 ILE 32 1HG2 ILE 32 -8.362 8.667 -1.129 241 HG22 ILE 32 2HG2 ILE 32 -8.841 7.732 -2.544 242 HG23 ILE 32 3HG2 ILE 32 -8.121 6.920 -1.154 243 HD11 ILE 32 1HD1 ILE 32 -4.734 9.881 -0.736 244 HD12 ILE 32 2HD1 ILE 32 -6.498 9.916 -0.699 245 HD13 ILE 32 3HD1 ILE 32 -5.604 9.106 0.587 246 H GLY 33 H GLY 33 -7.031 8.494 -5.266 247 HA2 GLY 33 1HA GLY 33 -8.335 7.771 -7.229 248 HA3 GLY 33 2HA GLY 33 -9.345 6.863 -6.114 249 H ARG 34 H ARG 34 -10.096 8.924 -8.053 250 HA ARG 34 HA ARG 34 -10.593 11.418 -7.012 251 HB2 ARG 34 1HB ARG 34 -12.121 9.688 -8.928 252 HB3 ARG 34 2HB ARG 34 -12.770 11.247 -8.439 253 HG2 ARG 34 1HG ARG 34 -10.925 12.408 -9.369 254 HG3 ARG 34 2HG ARG 34 -10.021 10.911 -9.606 255 HD2 ARG 34 1HD ARG 34 -12.651 11.480 -10.955 256 HD3 ARG 34 2HD ARG 34 -11.095 11.901 -11.668 257 HE ARG 34 HE ARG 34 -10.907 9.238 -11.025 258 HH11 ARG 34 1HH1 ARG 34 -12.984 11.201 -13.012 259 HH12 ARG 34 2HH1 ARG 34 -13.312 9.934 -14.147 260 HH21 ARG 34 1HH2 ARG 34 -11.332 7.562 -12.512 261 HH22 ARG 34 2HH2 ARG 34 -12.373 7.864 -13.862 262 H LYS 35 H LYS 35 -12.588 8.501 -6.653 263 HA LYS 35 HA LYS 35 -14.154 9.887 -4.586 264 HB2 LYS 35 1HB LYS 35 -14.738 7.547 -6.375 265 HB3 LYS 35 2HB LYS 35 -15.653 7.788 -4.893 266 HG2 LYS 35 1HG LYS 35 -16.195 10.096 -5.728 267 HG3 LYS 35 2HG LYS 35 -15.486 9.619 -7.272 268 HD2 LYS 35 1HD LYS 35 -17.734 9.170 -7.600 269 HD3 LYS 35 2HD LYS 35 -17.107 7.598 -7.101 270 HE2 LYS 35 1HE LYS 35 -17.893 7.954 -4.847 271 HE3 LYS 35 2HE LYS 35 -18.402 9.593 -5.248 272 HZ1 LYS 35 1HZ LYS 35 -19.900 7.275 -5.438 273 HZ2 LYS 35 2HZ LYS 35 -19.584 7.747 -7.030 274 HZ3 LYS 35 3HZ LYS 35 -20.335 8.823 -5.964 275 H GLY 36 H GLY 36 -12.109 7.113 -5.211 276 HA2 GLY 36 1HA GLY 36 -10.740 6.447 -3.244 277 HA3 GLY 36 2HA GLY 36 -12.242 6.457 -2.331 278 H ALA 37 H ALA 37 -13.232 5.308 -5.156 279 HA ALA 37 HA ALA 37 -13.472 2.640 -4.253 280 HB1 ALA 37 1HB ALA 37 -13.805 2.964 -7.123 281 HB2 ALA 37 2HB ALA 37 -14.970 2.465 -5.896 282 HB3 ALA 37 3HB ALA 37 -14.680 4.179 -6.193 283 H VAL 38 H VAL 38 -10.903 4.262 -5.712 284 HA VAL 38 HA VAL 38 -9.810 2.098 -7.231 285 HB VAL 38 HB VAL 38 -8.395 4.543 -6.158 286 HG11 VAL 38 1HG1 VAL 38 -7.678 2.687 -8.426 287 HG12 VAL 38 2HG1 VAL 38 -6.782 4.128 -7.937 288 HG13 VAL 38 3HG1 VAL 38 -6.887 2.741 -6.851 289 HG21 VAL 38 1HG2 VAL 38 -9.103 4.490 -8.990 290 HG22 VAL 38 2HG2 VAL 38 -10.502 4.520 -7.915 291 HG23 VAL 38 3HG2 VAL 38 -9.276 5.783 -7.802 292 H ILE 39 H ILE 39 -8.365 3.722 -4.409 293 HA ILE 39 HA ILE 39 -6.597 1.716 -3.722 294 HB ILE 39 HB ILE 39 -6.568 3.989 -2.750 295 HG12 ILE 39 1HG1 ILE 39 -6.117 3.198 -0.339 296 HG13 ILE 39 2HG1 ILE 39 -6.548 1.594 -0.923 297 HG21 ILE 39 1HG2 ILE 39 -9.117 3.042 -1.584 298 HG22 ILE 39 2HG2 ILE 39 -8.087 4.036 -0.557 299 HG23 ILE 39 3HG2 ILE 39 -8.640 4.655 -2.111 300 HD11 ILE 39 1HD1 ILE 39 -4.655 1.390 -2.166 301 HD12 ILE 39 2HD1 ILE 39 -4.505 3.128 -2.430 302 HD13 ILE 39 3HD1 ILE 39 -4.056 2.430 -0.873 303 H THR 40 H THR 40 -10.013 1.924 -3.133 304 HA THR 40 HA THR 40 -10.202 0.045 -1.032 305 HB THR 40 HB THR 40 -12.275 0.731 -3.126 306 HG1 THR 40 1HG THR 40 -13.016 2.017 -1.173 307 HG21 THR 40 1HG2 THR 40 -13.148 -1.160 -2.141 308 HG22 THR 40 2HG2 THR 40 -13.758 0.087 -1.054 309 HG23 THR 40 3HG2 THR 40 -12.343 -0.862 -0.602 310 H GLN 41 H GLN 41 -10.508 -0.293 -4.555 311 HA GLN 41 HA GLN 41 -11.103 -3.040 -4.574 312 HB2 GLN 41 1HB GLN 41 -11.445 -1.562 -6.513 313 HB3 GLN 41 2HB GLN 41 -9.704 -1.395 -6.690 314 HG2 GLN 41 1HG GLN 41 -10.556 -2.975 -8.297 315 HG3 GLN 41 2HG GLN 41 -9.526 -3.799 -7.127 316 HE21 GLN 41 1HE2 GLN 41 -10.280 -5.662 -6.455 317 HE22 GLN 41 2HE2 GLN 41 -11.943 -6.112 -6.336 318 H ILE 42 H ILE 42 -7.999 -1.429 -5.285 319 HA ILE 42 HA ILE 42 -6.378 -3.609 -5.560 320 HB ILE 42 HB ILE 42 -5.667 -1.043 -4.135 321 HG12 ILE 42 1HG1 ILE 42 -5.093 -1.757 -7.006 322 HG13 ILE 42 2HG1 ILE 42 -6.593 -0.965 -6.534 323 HG21 ILE 42 1HG2 ILE 42 -4.052 -3.370 -5.053 324 HG22 ILE 42 2HG2 ILE 42 -3.356 -1.754 -5.167 325 HG23 ILE 42 3HG2 ILE 42 -3.883 -2.379 -3.605 326 HD11 ILE 42 1HD1 ILE 42 -5.602 1.012 -6.416 327 HD12 ILE 42 2HD1 ILE 42 -4.284 0.376 -5.432 328 HD13 ILE 42 3HD1 ILE 42 -4.207 0.259 -7.190 329 H ARG 43 H ARG 43 -7.621 -2.232 -2.579 330 HA ARG 43 HA ARG 43 -5.984 -3.664 -0.783 331 HB2 ARG 43 1HB ARG 43 -8.648 -2.303 -0.555 332 HB3 ARG 43 2HB ARG 43 -8.028 -3.258 0.784 333 HG2 ARG 43 1HG ARG 43 -6.168 -1.842 1.069 334 HG3 ARG 43 2HG ARG 43 -6.445 -1.045 -0.482 335 HD2 ARG 43 1HD ARG 43 -7.272 0.503 1.024 336 HD3 ARG 43 2HD ARG 43 -8.724 -0.378 0.553 337 HE ARG 43 HE ARG 43 -7.608 -1.595 2.823 338 HH11 ARG 43 1HH1 ARG 43 -9.237 1.332 1.876 339 HH12 ARG 43 2HH1 ARG 43 -9.942 1.600 3.436 340 HH21 ARG 43 1HH2 ARG 43 -8.530 -1.254 4.881 341 HH22 ARG 43 2HH2 ARG 43 -9.538 0.128 5.145 342 H LEU 44 H LEU 44 -9.325 -4.295 -1.860 343 HA LEU 44 HA LEU 44 -9.595 -6.762 -0.539 344 HB2 LEU 44 1HB LEU 44 -10.979 -5.599 -2.943 345 HB3 LEU 44 2HB LEU 44 -11.427 -7.153 -2.242 346 HG LEU 44 HG LEU 44 -11.425 -4.665 -0.572 347 HD11 LEU 44 1HD1 LEU 44 -13.355 -5.456 -2.682 348 HD12 LEU 44 2HD1 LEU 44 -12.884 -3.853 -2.119 349 HD13 LEU 44 3HD1 LEU 44 -13.998 -4.829 -1.164 350 HD21 LEU 44 1HD2 LEU 44 -11.604 -6.800 0.573 351 HD22 LEU 44 2HD2 LEU 44 -12.959 -7.260 -0.460 352 HD23 LEU 44 3HD2 LEU 44 -13.128 -5.916 0.672 353 H GLU 45 H GLU 45 -8.641 -5.981 -3.868 354 HA GLU 45 HA GLU 45 -8.467 -8.480 -4.974 355 HB2 GLU 45 1HB GLU 45 -7.954 -6.222 -6.046 356 HB3 GLU 45 2HB GLU 45 -6.333 -6.392 -5.389 357 HG2 GLU 45 1HG GLU 45 -6.206 -7.141 -7.606 358 HG3 GLU 45 2HG GLU 45 -6.201 -8.595 -6.610 359 H HIS 46 H HIS 46 -6.230 -6.952 -2.733 360 HA HIS 46 HA HIS 46 -4.636 -9.428 -2.690 361 HB2 HIS 46 1HB HIS 46 -3.847 -6.643 -1.806 362 HB3 HIS 46 2HB HIS 46 -2.814 -8.069 -1.748 363 HD1 HIS 46 1HD HIS 46 -2.581 -9.234 -4.300 364 HD2 HIS 46 2HD HIS 46 -3.410 -5.172 -4.020 365 HE1 HIS 46 1HE HIS 46 -1.930 -8.259 -6.525 366 H ASP 47 H ASP 47 -7.048 -7.923 -1.066 367 HA ASP 47 HA ASP 47 -7.886 -7.998 1.052 368 HB2 ASP 47 1HB ASP 47 -6.479 -10.608 0.695 369 HB3 ASP 47 2HB ASP 47 -7.112 -10.207 2.290 370 H VAL 48 H VAL 48 -5.988 -6.198 1.073 371 HA VAL 48 HA VAL 48 -4.612 -6.651 3.625 372 HB VAL 48 HB VAL 48 -2.606 -5.480 2.802 373 HG11 VAL 48 1HG1 VAL 48 -1.661 -7.416 2.169 374 HG12 VAL 48 2HG1 VAL 48 -3.261 -8.100 2.467 375 HG13 VAL 48 3HG1 VAL 48 -2.786 -7.643 0.830 376 HG21 VAL 48 1HG2 VAL 48 -3.042 -5.855 -0.018 377 HG22 VAL 48 2HG2 VAL 48 -4.264 -4.780 0.659 378 HG23 VAL 48 3HG2 VAL 48 -2.553 -4.403 0.856 379 H ASN 49 H ASN 49 -4.131 -4.730 4.806 380 HA ASN 49 HA ASN 49 -6.033 -2.595 4.264 381 HB2 ASN 49 1HB ASN 49 -5.911 -3.555 6.532 382 HB3 ASN 49 2HB ASN 49 -4.230 -3.044 6.654 383 HD21 ASN 49 1HD2 ASN 49 -5.547 -2.125 8.615 384 HD22 ASN 49 2HD2 ASN 49 -6.045 -0.481 8.424 385 H ILE 50 H ILE 50 -5.502 -0.666 3.465 386 HA ILE 50 HA ILE 50 -2.657 0.100 3.439 387 HB ILE 50 HB ILE 50 -4.687 0.586 1.256 388 HG12 ILE 50 1HG1 ILE 50 -2.122 -0.959 0.992 389 HG13 ILE 50 2HG1 ILE 50 -3.586 -1.744 1.573 390 HG21 ILE 50 1HG2 ILE 50 -1.967 1.670 1.772 391 HG22 ILE 50 2HG2 ILE 50 -2.430 1.324 0.107 392 HG23 ILE 50 3HG2 ILE 50 -3.383 2.454 1.071 393 HD11 ILE 50 1HD1 ILE 50 -4.064 -0.223 -0.838 394 HD12 ILE 50 2HD1 ILE 50 -2.806 -1.441 -1.054 395 HD13 ILE 50 3HD1 ILE 50 -4.404 -1.915 -0.478 396 H GLN 51 H GLN 51 -2.374 1.791 4.726 397 HA GLN 51 HA GLN 51 -4.434 3.899 4.740 398 HB2 GLN 51 1HB GLN 51 -3.945 2.415 6.882 399 HB3 GLN 51 2HB GLN 51 -2.608 3.542 7.073 400 HG2 GLN 51 1HG GLN 51 -5.432 4.474 6.694 401 HG3 GLN 51 2HG GLN 51 -4.776 4.076 8.281 402 HE21 GLN 51 1HE2 GLN 51 -2.331 5.067 8.316 403 HE22 GLN 51 2HE2 GLN 51 -2.325 6.774 8.051 404 H PHE 52 H PHE 52 -3.789 5.937 4.346 405 HA PHE 52 HA PHE 52 -0.955 6.346 3.742 406 HB2 PHE 52 1HB PHE 52 -3.364 8.051 3.071 407 HB3 PHE 52 2HB PHE 52 -1.712 8.364 2.545 408 HD1 PHE 52 2HD PHE 52 -4.657 6.239 2.113 409 HD2 PHE 52 1HD PHE 52 -0.691 7.054 0.801 410 HE1 PHE 52 2HE PHE 52 -5.032 4.841 0.124 411 HE2 PHE 52 1HE PHE 52 -1.060 5.658 -1.192 412 HZ PHE 52 HZ PHE 52 -3.232 4.548 -1.531 413 HA PRO 53 HA PRO 53 -0.200 8.873 7.253 414 HB2 PRO 53 1HB PRO 53 1.672 10.567 6.255 415 HB3 PRO 53 2HB PRO 53 2.007 8.870 6.618 416 HG2 PRO 53 1HG PRO 53 1.389 10.159 3.988 417 HG3 PRO 53 2HG PRO 53 2.610 8.932 4.373 418 HD2 PRO 53 1HD PRO 53 0.240 8.316 3.216 419 HD3 PRO 53 2HD PRO 53 1.078 7.211 4.325 420 H ASP 54 H ASP 54 -0.609 10.913 8.154 421 HA ASP 54 HA ASP 54 -2.601 12.455 6.790 422 HB2 ASP 54 1HB ASP 54 -2.341 11.956 9.343 423 HB3 ASP 54 2HB ASP 54 -1.273 13.357 9.324 424 H LYS 55 H LYS 55 -2.026 13.786 5.198 425 HA LYS 55 HA LYS 55 0.511 14.922 4.840 426 HB2 LYS 55 1HB LYS 55 -0.578 16.360 3.157 427 HB3 LYS 55 2HB LYS 55 -1.048 14.672 2.994 428 HG2 LYS 55 1HG LYS 55 -3.088 15.637 2.783 429 HG3 LYS 55 2HG LYS 55 -3.047 15.465 4.540 430 HD2 LYS 55 1HD LYS 55 -2.765 17.706 4.888 431 HD3 LYS 55 2HD LYS 55 -1.916 17.947 3.358 432 HE2 LYS 55 1HE LYS 55 -4.843 17.274 3.479 433 HE3 LYS 55 2HE LYS 55 -4.261 18.935 3.572 434 HZ1 LYS 55 1HZ LYS 55 -4.862 17.745 1.290 435 HZ2 LYS 55 2HZ LYS 55 -3.228 17.320 1.382 436 HZ3 LYS 55 3HZ LYS 55 -3.680 18.950 1.406 437 H ASP 56 H ASP 56 -2.357 16.097 6.490 438 HA ASP 56 HA ASP 56 -1.578 18.777 6.816 439 HB2 ASP 56 1HB ASP 56 -3.871 17.815 7.243 440 HB3 ASP 56 2HB ASP 56 -3.244 17.168 8.757 441 H ASP 57 H ASP 57 -0.664 15.867 8.487 442 HA ASP 57 HA ASP 57 0.464 17.172 10.772 443 HB2 ASP 57 1HB ASP 57 -0.331 14.699 10.494 444 HB3 ASP 57 2HB ASP 57 1.292 14.435 9.864 445 H GLY 58 H GLY 58 2.917 16.320 11.211 446 HA2 GLY 58 1HA GLY 58 4.562 16.863 8.850 447 HA3 GLY 58 2HA GLY 58 4.711 17.961 10.215 448 H ASN 59 H ASN 59 4.344 15.879 12.214 449 HA ASN 59 HA ASN 59 7.051 15.098 12.509 450 HB2 ASN 59 1HB ASN 59 4.519 14.644 14.014 451 HB3 ASN 59 2HB ASN 59 5.869 13.562 14.343 452 HD21 ASN 59 1HD2 ASN 59 5.377 17.039 13.807 453 HD22 ASN 59 2HD2 ASN 59 6.334 17.551 15.152 454 H GLN 60 H GLN 60 4.244 13.552 11.158 455 HA GLN 60 HA GLN 60 5.638 10.988 10.969 456 HB2 GLN 60 1HB GLN 60 3.547 10.017 10.399 457 HB3 GLN 60 2HB GLN 60 3.227 11.140 11.715 458 HG2 GLN 60 1HG GLN 60 2.344 12.765 10.183 459 HG3 GLN 60 2HG GLN 60 2.795 11.765 8.804 460 HE21 GLN 60 1HE2 GLN 60 0.437 12.440 11.155 461 HE22 GLN 60 2HE2 GLN 60 -0.681 11.192 10.735 462 HA PRO 61 HA PRO 61 6.810 11.501 6.770 463 HB2 PRO 61 1HB PRO 61 6.664 8.937 5.886 464 HB3 PRO 61 2HB PRO 61 7.936 9.509 6.973 465 HG2 PRO 61 1HG PRO 61 5.428 8.005 7.616 466 HG3 PRO 61 2HG PRO 61 7.068 7.765 8.244 467 HD2 PRO 61 1HD PRO 61 5.155 9.082 9.634 468 HD3 PRO 61 2HD PRO 61 6.878 9.492 9.758 469 H GLN 62 H GLN 62 5.667 12.335 5.149 470 HA GLN 62 HA GLN 62 2.919 11.474 4.720 471 HB2 GLN 62 1HB GLN 62 4.461 13.718 3.408 472 HB3 GLN 62 2HB GLN 62 2.730 13.436 3.281 473 HG2 GLN 62 1HG GLN 62 4.295 14.313 5.687 474 HG3 GLN 62 2HG GLN 62 3.018 15.181 4.835 475 HE21 GLN 62 1HE2 GLN 62 3.362 14.269 7.670 476 HE22 GLN 62 2HE2 GLN 62 1.906 13.411 8.030 477 H ASP 63 H ASP 63 5.973 10.788 3.499 478 HA ASP 63 HA ASP 63 4.979 10.088 0.836 479 HB2 ASP 63 1HB ASP 63 7.156 10.127 0.093 480 HB3 ASP 63 2HB ASP 63 7.266 11.279 1.421 481 H GLN 64 H GLN 64 5.615 8.690 3.872 482 HA GLN 64 HA GLN 64 6.051 6.015 2.824 483 HB2 GLN 64 1HB GLN 64 5.790 7.033 5.658 484 HB3 GLN 64 2HB GLN 64 6.144 5.366 5.224 485 HG2 GLN 64 1HG GLN 64 7.902 7.496 4.138 486 HG3 GLN 64 2HG GLN 64 8.044 7.083 5.846 487 HE21 GLN 64 1HE2 GLN 64 9.183 6.415 2.839 488 HE22 GLN 64 2HE2 GLN 64 9.826 4.836 3.116 489 H ILE 65 H ILE 65 4.513 4.537 2.521 490 HA ILE 65 HA ILE 65 1.793 5.178 3.433 491 HB ILE 65 HB ILE 65 2.577 3.196 1.298 492 HG12 ILE 65 1HG1 ILE 65 1.570 6.025 0.932 493 HG13 ILE 65 2HG1 ILE 65 3.249 5.535 0.734 494 HG21 ILE 65 1HG2 ILE 65 0.074 3.901 0.703 495 HG22 ILE 65 2HG2 ILE 65 0.455 2.572 1.795 496 HG23 ILE 65 3HG2 ILE 65 0.025 4.153 2.447 497 HD11 ILE 65 1HD1 ILE 65 0.882 4.870 -0.963 498 HD12 ILE 65 2HD1 ILE 65 2.431 5.575 -1.429 499 HD13 ILE 65 3HD1 ILE 65 2.334 3.869 -0.994 500 H THR 66 H THR 66 1.099 4.108 5.151 501 HA THR 66 HA THR 66 2.423 1.746 6.106 502 HB THR 66 HB THR 66 0.293 1.845 7.710 503 HG1 THR 66 1HG THR 66 -0.072 4.260 7.906 504 HG21 THR 66 1HG2 THR 66 2.534 2.114 8.520 505 HG22 THR 66 2HG2 THR 66 1.575 3.464 9.128 506 HG23 THR 66 3HG2 THR 66 2.670 3.703 7.766 507 H ILE 67 H ILE 67 1.830 -0.332 5.893 508 HA ILE 67 HA ILE 67 -0.846 -0.973 4.902 509 HB ILE 67 HB ILE 67 1.663 -2.054 3.615 510 HG12 ILE 67 1HG1 ILE 67 -0.429 -0.284 2.351 511 HG13 ILE 67 2HG1 ILE 67 1.032 0.359 3.094 512 HG21 ILE 67 1HG2 ILE 67 -0.885 -2.453 2.259 513 HG22 ILE 67 2HG2 ILE 67 0.411 -3.599 2.597 514 HG23 ILE 67 3HG2 ILE 67 -0.801 -3.248 3.830 515 HD11 ILE 67 1HD1 ILE 67 1.359 0.195 0.732 516 HD12 ILE 67 2HD1 ILE 67 2.366 -1.016 1.526 517 HD13 ILE 67 3HD1 ILE 67 0.865 -1.498 0.735 518 H THR 68 H THR 68 -1.698 -2.689 5.896 519 HA THR 68 HA THR 68 0.109 -4.406 7.469 520 HB THR 68 HB THR 68 -2.824 -3.994 8.039 521 HG1 THR 68 1HG THR 68 -0.602 -2.421 8.700 522 HG21 THR 68 1HG2 THR 68 -0.518 -5.052 9.675 523 HG22 THR 68 2HG2 THR 68 -1.877 -5.979 9.040 524 HG23 THR 68 3HG2 THR 68 -2.142 -4.770 10.296 525 H GLY 69 H GLY 69 -0.458 -6.652 7.678 526 HA2 GLY 69 1HA GLY 69 -2.228 -8.316 6.877 527 HA3 GLY 69 2HA GLY 69 -1.882 -7.640 5.293 528 H TYR 70 H TYR 70 -1.557 -10.171 5.228 529 HA TYR 70 HA TYR 70 0.674 -11.421 6.256 530 HB2 TYR 70 1HB TYR 70 -0.770 -11.783 3.638 531 HB3 TYR 70 2HB TYR 70 0.582 -12.810 4.101 532 HD1 TYR 70 2HD TYR 70 0.196 -13.377 6.877 533 HD2 TYR 70 1HD TYR 70 -2.739 -12.971 3.823 534 HE1 TYR 70 2HE TYR 70 -1.331 -14.816 8.161 535 HE2 TYR 70 1HE TYR 70 -4.275 -14.407 5.099 536 HH TYR 70 HH TYR 70 -3.404 -16.395 7.454 537 H GLU 71 H GLU 71 2.779 -11.074 6.072 538 HA GLU 71 HA GLU 71 4.060 -9.060 4.840 539 HB2 GLU 71 1HB GLU 71 5.408 -10.355 6.224 540 HB3 GLU 71 2HB GLU 71 4.952 -11.856 5.433 541 HG2 GLU 71 1HG GLU 71 6.227 -11.086 3.425 542 HG3 GLU 71 2HG GLU 71 6.810 -9.734 4.394 543 H LYS 72 H LYS 72 2.793 -11.890 3.285 544 HA LYS 72 HA LYS 72 4.191 -11.396 0.795 545 HB2 LYS 72 1HB LYS 72 2.174 -13.437 1.700 546 HB3 LYS 72 2HB LYS 72 2.613 -13.278 0.004 547 HG2 LYS 72 1HG LYS 72 4.683 -13.679 2.135 548 HG3 LYS 72 2HG LYS 72 3.836 -15.034 1.386 549 HD2 LYS 72 1HD LYS 72 5.106 -12.969 -0.356 550 HD3 LYS 72 2HD LYS 72 6.124 -14.183 0.422 551 HE2 LYS 72 1HE LYS 72 3.697 -14.850 -1.232 552 HE3 LYS 72 2HE LYS 72 5.331 -14.766 -1.890 553 HZ1 LYS 72 1HZ LYS 72 5.775 -16.780 -1.116 554 HZ2 LYS 72 2HZ LYS 72 4.140 -16.944 -0.712 555 HZ3 LYS 72 3HZ LYS 72 5.245 -16.389 0.442 556 H ASN 73 H ASN 73 0.746 -11.610 1.713 557 HA ASN 73 HA ASN 73 -0.353 -10.587 -0.597 558 HB2 ASN 73 1HB ASN 73 -1.270 -10.364 2.270 559 HB3 ASN 73 2HB ASN 73 -2.243 -9.798 0.916 560 HD21 ASN 73 1HD2 ASN 73 -3.552 -11.522 2.218 561 HD22 ASN 73 2HD2 ASN 73 -3.503 -13.112 1.544 562 H THR 74 H THR 74 1.206 -8.894 2.029 563 HA THR 74 HA THR 74 0.306 -6.290 1.485 564 HB THR 74 HB THR 74 2.377 -5.537 2.664 565 HG1 THR 74 1HG THR 74 2.979 -8.221 3.230 566 HG21 THR 74 1HG2 THR 74 1.669 -7.515 4.579 567 HG22 THR 74 2HG2 THR 74 0.217 -7.086 3.675 568 HG23 THR 74 3HG2 THR 74 1.148 -5.834 4.496 569 H GLU 75 H GLU 75 3.385 -7.839 0.548 570 HA GLU 75 HA GLU 75 4.456 -5.837 -0.989 571 HB2 GLU 75 1HB GLU 75 4.560 -8.791 -1.629 572 HB3 GLU 75 2HB GLU 75 5.688 -7.568 -2.195 573 HG2 GLU 75 1HG GLU 75 5.966 -7.158 0.408 574 HG3 GLU 75 2HG GLU 75 5.443 -8.840 0.468 575 H ALA 76 H ALA 76 2.150 -8.328 -2.026 576 HA ALA 76 HA ALA 76 2.002 -7.756 -4.722 577 HB1 ALA 76 1HB ALA 76 -0.602 -8.314 -3.507 578 HB2 ALA 76 2HB ALA 76 0.295 -9.207 -4.735 579 HB3 ALA 76 3HB ALA 76 0.675 -9.433 -3.028 580 H ALA 77 H ALA 77 0.431 -6.117 -2.023 581 HA ALA 77 HA ALA 77 -1.081 -4.362 -3.740 582 HB1 ALA 77 1HB ALA 77 -0.696 -3.734 -0.865 583 HB2 ALA 77 2HB ALA 77 -2.150 -3.649 -1.860 584 HB3 ALA 77 3HB ALA 77 -1.571 -5.209 -1.279 585 H ARG 78 H ARG 78 1.621 -3.946 -1.452 586 HA ARG 78 HA ARG 78 2.099 -1.254 -1.837 587 HB2 ARG 78 1HB ARG 78 4.091 -1.573 -0.727 588 HB3 ARG 78 2HB ARG 78 3.230 -3.036 -0.267 589 HG2 ARG 78 1HG ARG 78 5.210 -3.957 -0.867 590 HG3 ARG 78 2HG ARG 78 4.417 -3.971 -2.442 591 HD2 ARG 78 1HD ARG 78 5.475 -1.619 -2.713 592 HD3 ARG 78 2HD ARG 78 6.542 -2.136 -1.408 593 HE ARG 78 HE ARG 78 6.356 -3.995 -3.604 594 HH11 ARG 78 1HH1 ARG 78 8.010 -1.225 -2.296 595 HH12 ARG 78 2HH1 ARG 78 9.456 -1.492 -3.213 596 HH21 ARG 78 1HH2 ARG 78 8.254 -4.357 -4.816 597 HH22 ARG 78 2HH2 ARG 78 9.593 -3.273 -4.648 598 H ASP 79 H ASP 79 2.718 -3.902 -3.965 599 HA ASP 79 HA ASP 79 4.708 -2.693 -5.581 600 HB2 ASP 79 1HB ASP 79 4.399 -5.080 -5.677 601 HB3 ASP 79 2HB ASP 79 2.717 -4.891 -6.166 602 H ALA 80 H ALA 80 1.175 -2.856 -5.829 603 HA ALA 80 HA ALA 80 0.886 -1.584 -8.298 604 HB1 ALA 80 1HB ALA 80 -1.379 -0.838 -7.146 605 HB2 ALA 80 2HB ALA 80 -1.085 -2.509 -7.628 606 HB3 ALA 80 3HB ALA 80 -0.870 -2.026 -5.945 607 H ILE 81 H ILE 81 0.705 -0.165 -5.030 608 HA ILE 81 HA ILE 81 0.245 2.448 -5.583 609 HB ILE 81 HB ILE 81 2.251 1.403 -3.582 610 HG12 ILE 81 1HG1 ILE 81 -0.583 2.281 -3.059 611 HG13 ILE 81 2HG1 ILE 81 -0.194 0.619 -3.492 612 HG21 ILE 81 1HG2 ILE 81 2.667 3.490 -2.946 613 HG22 ILE 81 2HG2 ILE 81 1.795 4.043 -4.375 614 HG23 ILE 81 3HG2 ILE 81 0.944 3.856 -2.842 615 HD11 ILE 81 1HD1 ILE 81 -0.130 1.829 -0.949 616 HD12 ILE 81 2HD1 ILE 81 0.303 0.176 -1.387 617 HD13 ILE 81 3HD1 ILE 81 1.533 1.440 -1.388 618 H LEU 82 H LEU 82 3.287 0.729 -6.010 619 HA LEU 82 HA LEU 82 4.741 3.104 -6.748 620 HB2 LEU 82 1HB LEU 82 5.564 0.244 -7.180 621 HB3 LEU 82 2HB LEU 82 6.605 1.663 -7.106 622 HG LEU 82 HG LEU 82 5.018 0.649 -4.754 623 HD11 LEU 82 1HD1 LEU 82 7.182 -0.629 -5.968 624 HD12 LEU 82 2HD1 LEU 82 6.529 -0.925 -4.357 625 HD13 LEU 82 3HD1 LEU 82 7.856 0.216 -4.573 626 HD21 LEU 82 1HD2 LEU 82 6.870 2.878 -5.258 627 HD22 LEU 82 2HD2 LEU 82 7.168 1.965 -3.779 628 HD23 LEU 82 3HD2 LEU 82 5.592 2.709 -4.055 629 H ARG 83 H ARG 83 3.702 0.164 -8.475 630 HA ARG 83 HA ARG 83 4.529 0.686 -11.004 631 HB2 ARG 83 1HB ARG 83 3.114 -1.272 -10.113 632 HB3 ARG 83 2HB ARG 83 1.721 -0.274 -10.510 633 HG2 ARG 83 1HG ARG 83 2.859 -0.112 -12.851 634 HG3 ARG 83 2HG ARG 83 3.702 -1.569 -12.320 635 HD2 ARG 83 1HD ARG 83 1.497 -2.601 -11.832 636 HD3 ARG 83 2HD ARG 83 0.719 -1.170 -12.509 637 HE ARG 83 HE ARG 83 2.386 -2.014 -14.487 638 HH11 ARG 83 1HH1 ARG 83 -0.138 -3.515 -12.616 639 HH12 ARG 83 2HH1 ARG 83 -0.603 -4.607 -13.878 640 HH21 ARG 83 1HH2 ARG 83 1.783 -3.447 -16.156 641 HH22 ARG 83 2HH2 ARG 83 0.491 -4.569 -15.891 642 H ILE 84 H ILE 84 1.765 2.139 -9.369 643 HA ILE 84 HA ILE 84 0.725 3.505 -11.619 644 HB ILE 84 HB ILE 84 0.458 4.306 -8.720 645 HG12 ILE 84 1HG1 ILE 84 -1.583 2.690 -10.200 646 HG13 ILE 84 2HG1 ILE 84 -0.188 1.878 -9.497 647 HG21 ILE 84 1HG2 ILE 84 -0.421 5.538 -11.082 648 HG22 ILE 84 2HG2 ILE 84 -1.842 4.784 -10.363 649 HG23 ILE 84 3HG2 ILE 84 -0.883 5.928 -9.426 650 HD11 ILE 84 1HD1 ILE 84 -1.348 3.654 -7.576 651 HD12 ILE 84 2HD1 ILE 84 -2.581 2.579 -8.237 652 HD13 ILE 84 3HD1 ILE 84 -1.127 1.906 -7.498 653 H VAL 85 H VAL 85 2.666 4.704 -8.875 654 HA VAL 85 HA VAL 85 3.042 7.297 -9.510 655 HB VAL 85 HB VAL 85 5.167 5.371 -8.563 656 HG11 VAL 85 1HG1 VAL 85 6.670 7.000 -8.659 657 HG12 VAL 85 2HG1 VAL 85 5.484 8.032 -9.462 658 HG13 VAL 85 3HG1 VAL 85 5.626 8.051 -7.704 659 HG21 VAL 85 1HG2 VAL 85 2.966 5.880 -7.248 660 HG22 VAL 85 2HG2 VAL 85 4.515 5.855 -6.406 661 HG23 VAL 85 3HG2 VAL 85 3.783 7.393 -6.858 662 H GLY 86 H GLY 86 5.279 4.761 -10.671 663 HA2 GLY 86 1HA GLY 86 6.900 6.101 -12.332 664 HA3 GLY 86 2HA GLY 86 6.240 4.533 -12.774 665 H GLU 87 H GLU 87 3.643 5.031 -13.305 666 HA GLU 87 HA GLU 87 3.730 6.153 -15.881 667 HB2 GLU 87 1HB GLU 87 1.122 5.995 -14.460 668 HB3 GLU 87 2HB GLU 87 1.545 5.488 -16.089 669 HG2 GLU 87 1HG GLU 87 2.980 3.705 -14.754 670 HG3 GLU 87 2HG GLU 87 1.758 4.022 -13.525 671 H LEU 88 H LEU 88 2.359 7.403 -12.848 672 HA LEU 88 HA LEU 88 1.227 9.739 -13.678 673 HB2 LEU 88 1HB LEU 88 2.973 9.587 -11.236 674 HB3 LEU 88 2HB LEU 88 1.559 10.606 -11.493 675 HG LEU 88 HG LEU 88 1.564 7.612 -11.116 676 HD11 LEU 88 1HD1 LEU 88 1.948 9.278 -9.149 677 HD12 LEU 88 2HD1 LEU 88 0.794 7.957 -8.975 678 HD13 LEU 88 3HD1 LEU 88 0.221 9.587 -9.327 679 HD21 LEU 88 1HD2 LEU 88 -0.864 9.363 -11.238 680 HD22 LEU 88 2HD2 LEU 88 -0.747 7.611 -11.395 681 HD23 LEU 88 3HD2 LEU 88 -0.176 8.654 -12.698 682 H GLU 89 H GLU 89 4.663 9.107 -13.177 683 HA GLU 89 HA GLU 89 5.598 11.732 -13.487 684 HB2 GLU 89 1HB GLU 89 6.791 9.016 -13.731 685 HB3 GLU 89 2HB GLU 89 7.687 10.361 -14.422 686 HG2 GLU 89 1HG GLU 89 7.231 11.446 -12.075 687 HG3 GLU 89 2HG GLU 89 7.047 9.763 -11.582 688 H GLN 90 H GLN 90 5.527 9.105 -15.902 689 HA GLN 90 HA GLN 90 6.428 10.321 -18.123 690 HB2 GLN 90 1HB GLN 90 5.251 7.994 -17.765 691 HB3 GLN 90 2HB GLN 90 3.842 8.843 -18.387 692 HG2 GLN 90 1HG GLN 90 6.444 8.896 -19.861 693 HG3 GLN 90 2HG GLN 90 5.329 7.540 -20.025 694 HE21 GLN 90 1HE2 GLN 90 5.555 8.443 -22.303 695 HE22 GLN 90 2HE2 GLN 90 4.370 9.606 -22.780 696 H MET 91 H MET 91 3.196 10.764 -16.751 697 HA MET 91 HA MET 91 2.207 12.437 -18.803 698 HB2 MET 91 1HB MET 91 1.403 11.836 -15.988 699 HB3 MET 91 2HB MET 91 0.669 13.211 -16.803 700 HG2 MET 91 1HG MET 91 0.711 10.575 -18.181 701 HG3 MET 91 2HG MET 91 -0.439 10.843 -16.874 702 HE1 MET 91 1HE MET 91 -3.285 11.919 -18.525 703 HE2 MET 91 2HE MET 91 -2.564 10.580 -19.419 704 HE3 MET 91 3HE MET 91 -2.388 10.666 -17.666 705 H SER 92 H SER 92 3.113 13.364 -15.477 706 HA SER 92 HA SER 92 3.241 16.125 -16.060 707 HB2 SER 92 1HB SER 92 4.549 14.612 -13.786 708 HB3 SER 92 2HB SER 92 4.275 16.353 -13.848 709 HG SER 92 HG SER 92 2.001 15.842 -14.006 710 H GLY 93 H GLY 93 5.160 17.498 -15.956 711 HA2 GLY 93 1HA GLY 93 7.770 16.411 -16.306 712 HA3 GLY 93 2HA GLY 93 7.074 16.878 -17.850 713 HA PRO 94 HA PRO 94 7.598 20.869 -15.118 714 HB2 PRO 94 1HB PRO 94 9.408 20.633 -13.109 715 HB3 PRO 94 2HB PRO 94 7.683 20.320 -12.889 716 HG2 PRO 94 1HG PRO 94 9.920 18.377 -13.319 717 HG3 PRO 94 2HG PRO 94 8.557 18.282 -12.188 718 HD2 PRO 94 1HD PRO 94 8.598 16.937 -14.537 719 HD3 PRO 94 2HD PRO 94 7.097 17.549 -13.814 720 H SER 95 H SER 95 8.899 22.354 -16.013 721 HA SER 95 HA SER 95 11.458 21.455 -17.118 722 HB2 SER 95 1HB SER 95 9.907 22.482 -18.703 723 HB3 SER 95 2HB SER 95 9.818 23.933 -17.704 724 HG SER 95 HG SER 95 12.270 23.843 -18.045 725 H SER 96 H SER 96 12.995 21.653 -15.584 726 HA SER 96 HA SER 96 14.421 22.592 -14.080 727 HB2 SER 96 1HB SER 96 14.691 24.108 -16.134 728 HB3 SER 96 2HB SER 96 13.687 25.269 -15.262 729 HG SER 96 HG SER 96 15.326 25.736 -14.034 730 H GLY 97 H GLY 97 11.859 22.125 -13.101 731 HA2 GLY 97 1HA GLY 97 11.826 23.982 -10.886 732 HA3 GLY 97 2HA GLY 97 10.397 24.058 -11.905
Contact the webmaster for help, if required. Tuesday, May 21, 2024 4:48:18 PM GMT (wattos1)